DatasetName RecordID Chemical_Name CASRN DTXSID ARPathway_Antagonist_Confirmation_Data_Flag ARPathway_Antagonist_Conf_Score ARPathway_maximum_receptor ERPathway_maximum_receptor Assay Endpoint Response Response_Unit SMILES Preferred_Name Synonyms URL_CompTox URL_CEBS
ARPathway2016 ARPathway2016_1561 (-)-alpha-Pinene 7785-26-4 DTXSID2029290 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC[C@H]2C[C@@H]1C2(C)C (-)-alpha-Pinene 7785-26-4|(-)-alpha-Pinene|(-)-(1S)-a-Pinene|(-)-2-Pinene|(-)-a-pinene|(-)-alpha-Pinene|(-)-pin-2(3)-ene|(-)-a-Pinene|(1S,5S) 2,6,6-Trimethyl-Bicyclo(3.1.1)hept-2-ene|(1S,5S)-(-)-a-Pinene|(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene|(1S) 2,6,6-Trimethyl-Bicyclo(3.1.1)hept-2-ene|(1S)-(-)-a-Pinene|(1S)-(-)-a-Pinene|(1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene|(S)-(-)-Pinene|(S)-(-)-a-Pinene|1S-(-)-a-Pinene|1S-a-Pinene|1S-a-Pinene|1S,5S-(-)-alpha-Pinene|2-Pinene, (1S,5S)-(-)-|Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1S,5S)-|BICYCLO(3.1.1)HEPT-2-ENE, 2,6,6-TRIMETHYL-, (1S)-|Bicyclo[3.1.1] hept- 2- ene, 2, 6, 6- trimethyl- , (1S, 5S) -|Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-|EC No.: 232-077-3|EINECS 232-077-3|L-a-Pinene|l-a-Pinene|UN 2368|UNII-TZR3GM95PR https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029290
ARPathway2016 ARPathway2016_1561 (-)-alpha-Pinene 7785-26-4 DTXSID2029290 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC[C@H]2C[C@@H]1C2(C)C (-)-alpha-Pinene 7785-26-4|(-)-alpha-Pinene|(-)-(1S)-a-Pinene|(-)-2-Pinene|(-)-a-pinene|(-)-alpha-Pinene|(-)-pin-2(3)-ene|(-)-a-Pinene|(1S,5S) 2,6,6-Trimethyl-Bicyclo(3.1.1)hept-2-ene|(1S,5S)-(-)-a-Pinene|(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene|(1S) 2,6,6-Trimethyl-Bicyclo(3.1.1)hept-2-ene|(1S)-(-)-a-Pinene|(1S)-(-)-a-Pinene|(1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene|(S)-(-)-Pinene|(S)-(-)-a-Pinene|1S-(-)-a-Pinene|1S-a-Pinene|1S-a-Pinene|1S,5S-(-)-alpha-Pinene|2-Pinene, (1S,5S)-(-)-|Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1S,5S)-|BICYCLO(3.1.1)HEPT-2-ENE, 2,6,6-TRIMETHYL-, (1S)-|Bicyclo[3.1.1] hept- 2- ene, 2, 6, 6- trimethyl- , (1S, 5S) -|Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-|EC No.: 232-077-3|EINECS 232-077-3|L-a-Pinene|l-a-Pinene|UN 2368|UNII-TZR3GM95PR https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029290
ARPathway2016 ARPathway2016_1561 (-)-alpha-Pinene 7785-26-4 DTXSID2029290 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC[C@H]2C[C@@H]1C2(C)C (-)-alpha-Pinene 7785-26-4|(-)-alpha-Pinene|(-)-(1S)-a-Pinene|(-)-2-Pinene|(-)-a-pinene|(-)-alpha-Pinene|(-)-pin-2(3)-ene|(-)-a-Pinene|(1S,5S) 2,6,6-Trimethyl-Bicyclo(3.1.1)hept-2-ene|(1S,5S)-(-)-a-Pinene|(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene|(1S) 2,6,6-Trimethyl-Bicyclo(3.1.1)hept-2-ene|(1S)-(-)-a-Pinene|(1S)-(-)-a-Pinene|(1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene|(S)-(-)-Pinene|(S)-(-)-a-Pinene|1S-(-)-a-Pinene|1S-a-Pinene|1S-a-Pinene|1S,5S-(-)-alpha-Pinene|2-Pinene, (1S,5S)-(-)-|Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1S,5S)-|BICYCLO(3.1.1)HEPT-2-ENE, 2,6,6-TRIMETHYL-, (1S)-|Bicyclo[3.1.1] hept- 2- ene, 2, 6, 6- trimethyl- , (1S, 5S) -|Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-|EC No.: 232-077-3|EINECS 232-077-3|L-a-Pinene|l-a-Pinene|UN 2368|UNII-TZR3GM95PR https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029290
ARPathway2016 ARPathway2016_1561 (-)-alpha-Pinene 7785-26-4 DTXSID2029290 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC[C@H]2C[C@@H]1C2(C)C (-)-alpha-Pinene 7785-26-4|(-)-alpha-Pinene|(-)-(1S)-a-Pinene|(-)-2-Pinene|(-)-a-pinene|(-)-alpha-Pinene|(-)-pin-2(3)-ene|(-)-a-Pinene|(1S,5S) 2,6,6-Trimethyl-Bicyclo(3.1.1)hept-2-ene|(1S,5S)-(-)-a-Pinene|(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene|(1S) 2,6,6-Trimethyl-Bicyclo(3.1.1)hept-2-ene|(1S)-(-)-a-Pinene|(1S)-(-)-a-Pinene|(1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene|(S)-(-)-Pinene|(S)-(-)-a-Pinene|1S-(-)-a-Pinene|1S-a-Pinene|1S-a-Pinene|1S,5S-(-)-alpha-Pinene|2-Pinene, (1S,5S)-(-)-|Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1S,5S)-|BICYCLO(3.1.1)HEPT-2-ENE, 2,6,6-TRIMETHYL-, (1S)-|Bicyclo[3.1.1] hept- 2- ene, 2, 6, 6- trimethyl- , (1S, 5S) -|Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-|EC No.: 232-077-3|EINECS 232-077-3|L-a-Pinene|l-a-Pinene|UN 2368|UNII-TZR3GM95PR https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029290
ERPathway2016 ERPathway2016_993 (-)-alpha-Pinene 7785-26-4 DTXSID2029290 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC[C@H]2C[C@@H]1C2(C)C (-)-alpha-Pinene 7785-26-4|(-)-alpha-Pinene|(-)-(1S)-a-Pinene|(-)-2-Pinene|(-)-a-pinene|(-)-alpha-Pinene|(-)-pin-2(3)-ene|(-)-a-Pinene|(1S,5S) 2,6,6-Trimethyl-Bicyclo(3.1.1)hept-2-ene|(1S,5S)-(-)-a-Pinene|(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene|(1S) 2,6,6-Trimethyl-Bicyclo(3.1.1)hept-2-ene|(1S)-(-)-a-Pinene|(1S)-(-)-a-Pinene|(1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene|(S)-(-)-Pinene|(S)-(-)-a-Pinene|1S-(-)-a-Pinene|1S-a-Pinene|1S-a-Pinene|1S,5S-(-)-alpha-Pinene|2-Pinene, (1S,5S)-(-)-|Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1S,5S)-|BICYCLO(3.1.1)HEPT-2-ENE, 2,6,6-TRIMETHYL-, (1S)-|Bicyclo[3.1.1] hept- 2- ene, 2, 6, 6- trimethyl- , (1S, 5S) -|Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-|EC No.: 232-077-3|EINECS 232-077-3|L-a-Pinene|l-a-Pinene|UN 2368|UNII-TZR3GM95PR https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029290
ERPathway2016 ERPathway2016_993 (-)-alpha-Pinene 7785-26-4 DTXSID2029290 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC[C@H]2C[C@@H]1C2(C)C (-)-alpha-Pinene 7785-26-4|(-)-alpha-Pinene|(-)-(1S)-a-Pinene|(-)-2-Pinene|(-)-a-pinene|(-)-alpha-Pinene|(-)-pin-2(3)-ene|(-)-a-Pinene|(1S,5S) 2,6,6-Trimethyl-Bicyclo(3.1.1)hept-2-ene|(1S,5S)-(-)-a-Pinene|(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene|(1S) 2,6,6-Trimethyl-Bicyclo(3.1.1)hept-2-ene|(1S)-(-)-a-Pinene|(1S)-(-)-a-Pinene|(1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene|(S)-(-)-Pinene|(S)-(-)-a-Pinene|1S-(-)-a-Pinene|1S-a-Pinene|1S-a-Pinene|1S,5S-(-)-alpha-Pinene|2-Pinene, (1S,5S)-(-)-|Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1S,5S)-|BICYCLO(3.1.1)HEPT-2-ENE, 2,6,6-TRIMETHYL-, (1S)-|Bicyclo[3.1.1] hept- 2- ene, 2, 6, 6- trimethyl- , (1S, 5S) -|Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-|EC No.: 232-077-3|EINECS 232-077-3|L-a-Pinene|l-a-Pinene|UN 2368|UNII-TZR3GM95PR https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029290
ERPathway2016 ERPathway2016_993 (-)-alpha-Pinene 7785-26-4 DTXSID2029290 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC[C@H]2C[C@@H]1C2(C)C (-)-alpha-Pinene 7785-26-4|(-)-alpha-Pinene|(-)-(1S)-a-Pinene|(-)-2-Pinene|(-)-a-pinene|(-)-alpha-Pinene|(-)-pin-2(3)-ene|(-)-a-Pinene|(1S,5S) 2,6,6-Trimethyl-Bicyclo(3.1.1)hept-2-ene|(1S,5S)-(-)-a-Pinene|(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene|(1S) 2,6,6-Trimethyl-Bicyclo(3.1.1)hept-2-ene|(1S)-(-)-a-Pinene|(1S)-(-)-a-Pinene|(1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene|(S)-(-)-Pinene|(S)-(-)-a-Pinene|1S-(-)-a-Pinene|1S-a-Pinene|1S-a-Pinene|1S,5S-(-)-alpha-Pinene|2-Pinene, (1S,5S)-(-)-|Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1S,5S)-|BICYCLO(3.1.1)HEPT-2-ENE, 2,6,6-TRIMETHYL-, (1S)-|Bicyclo[3.1.1] hept- 2- ene, 2, 6, 6- trimethyl- , (1S, 5S) -|Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-|EC No.: 232-077-3|EINECS 232-077-3|L-a-Pinene|l-a-Pinene|UN 2368|UNII-TZR3GM95PR https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029290
ERPathway2016 ERPathway2016_993 (-)-alpha-Pinene 7785-26-4 DTXSID2029290 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC[C@H]2C[C@@H]1C2(C)C (-)-alpha-Pinene 7785-26-4|(-)-alpha-Pinene|(-)-(1S)-a-Pinene|(-)-2-Pinene|(-)-a-pinene|(-)-alpha-Pinene|(-)-pin-2(3)-ene|(-)-a-Pinene|(1S,5S) 2,6,6-Trimethyl-Bicyclo(3.1.1)hept-2-ene|(1S,5S)-(-)-a-Pinene|(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene|(1S) 2,6,6-Trimethyl-Bicyclo(3.1.1)hept-2-ene|(1S)-(-)-a-Pinene|(1S)-(-)-a-Pinene|(1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene|(S)-(-)-Pinene|(S)-(-)-a-Pinene|1S-(-)-a-Pinene|1S-a-Pinene|1S-a-Pinene|1S,5S-(-)-alpha-Pinene|2-Pinene, (1S,5S)-(-)-|Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1S,5S)-|BICYCLO(3.1.1)HEPT-2-ENE, 2,6,6-TRIMETHYL-, (1S)-|Bicyclo[3.1.1] hept- 2- ene, 2, 6, 6- trimethyl- , (1S, 5S) -|Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-|EC No.: 232-077-3|EINECS 232-077-3|L-a-Pinene|l-a-Pinene|UN 2368|UNII-TZR3GM95PR https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029290
ARPathway2016 ARPathway2016_950 (-)-beta-Pinene 18172-67-3 DTXSID1041184 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)[C@@H]2C[C@H]1C(=C)CC2 (-)-beta-Pinene 18172-67-3|(-)-beta-Pinene|(-)-(1S,5S)-beta-pinene|(-)-2(10)-Pinene|(-)-b-pinene|(-)-nopinene|(-)-pin-2(10)-ene|(1S,5S)-2(10)-Pinene|(1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane|(1S,5S)-beta-pinene|(1S,5S)-pin-2(10)-ene|(1S)-(-)-beta-Pinene|1S,5S-(-)-beta-Pinene|Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-|EINECS 242-060-2|L-b-Pinene|l-beta-Pinene|Laevo-b-pinene|UNII-AFN153A7SU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041184
ARPathway2016 ARPathway2016_950 (-)-beta-Pinene 18172-67-3 DTXSID1041184 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)[C@@H]2C[C@H]1C(=C)CC2 (-)-beta-Pinene 18172-67-3|(-)-beta-Pinene|(-)-(1S,5S)-beta-pinene|(-)-2(10)-Pinene|(-)-b-pinene|(-)-nopinene|(-)-pin-2(10)-ene|(1S,5S)-2(10)-Pinene|(1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane|(1S,5S)-beta-pinene|(1S,5S)-pin-2(10)-ene|(1S)-(-)-beta-Pinene|1S,5S-(-)-beta-Pinene|Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-|EINECS 242-060-2|L-b-Pinene|l-beta-Pinene|Laevo-b-pinene|UNII-AFN153A7SU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041184
ARPathway2016 ARPathway2016_950 (-)-beta-Pinene 18172-67-3 DTXSID1041184 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)[C@@H]2C[C@H]1C(=C)CC2 (-)-beta-Pinene 18172-67-3|(-)-beta-Pinene|(-)-(1S,5S)-beta-pinene|(-)-2(10)-Pinene|(-)-b-pinene|(-)-nopinene|(-)-pin-2(10)-ene|(1S,5S)-2(10)-Pinene|(1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane|(1S,5S)-beta-pinene|(1S,5S)-pin-2(10)-ene|(1S)-(-)-beta-Pinene|1S,5S-(-)-beta-Pinene|Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-|EINECS 242-060-2|L-b-Pinene|l-beta-Pinene|Laevo-b-pinene|UNII-AFN153A7SU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041184
ARPathway2016 ARPathway2016_950 (-)-beta-Pinene 18172-67-3 DTXSID1041184 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)[C@@H]2C[C@H]1C(=C)CC2 (-)-beta-Pinene 18172-67-3|(-)-beta-Pinene|(-)-(1S,5S)-beta-pinene|(-)-2(10)-Pinene|(-)-b-pinene|(-)-nopinene|(-)-pin-2(10)-ene|(1S,5S)-2(10)-Pinene|(1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane|(1S,5S)-beta-pinene|(1S,5S)-pin-2(10)-ene|(1S)-(-)-beta-Pinene|1S,5S-(-)-beta-Pinene|Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-|EINECS 242-060-2|L-b-Pinene|l-beta-Pinene|Laevo-b-pinene|UNII-AFN153A7SU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041184
ERPathway2016 ERPathway2016_1352 (-)-beta-Pinene 18172-67-3 DTXSID1041184 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)[C@@H]2C[C@H]1C(=C)CC2 (-)-beta-Pinene 18172-67-3|(-)-beta-Pinene|(-)-(1S,5S)-beta-pinene|(-)-2(10)-Pinene|(-)-b-pinene|(-)-nopinene|(-)-pin-2(10)-ene|(1S,5S)-2(10)-Pinene|(1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane|(1S,5S)-beta-pinene|(1S,5S)-pin-2(10)-ene|(1S)-(-)-beta-Pinene|1S,5S-(-)-beta-Pinene|Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-|EINECS 242-060-2|L-b-Pinene|l-beta-Pinene|Laevo-b-pinene|UNII-AFN153A7SU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041184
ERPathway2016 ERPathway2016_1352 (-)-beta-Pinene 18172-67-3 DTXSID1041184 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)[C@@H]2C[C@H]1C(=C)CC2 (-)-beta-Pinene 18172-67-3|(-)-beta-Pinene|(-)-(1S,5S)-beta-pinene|(-)-2(10)-Pinene|(-)-b-pinene|(-)-nopinene|(-)-pin-2(10)-ene|(1S,5S)-2(10)-Pinene|(1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane|(1S,5S)-beta-pinene|(1S,5S)-pin-2(10)-ene|(1S)-(-)-beta-Pinene|1S,5S-(-)-beta-Pinene|Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-|EINECS 242-060-2|L-b-Pinene|l-beta-Pinene|Laevo-b-pinene|UNII-AFN153A7SU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041184
ERPathway2016 ERPathway2016_1352 (-)-beta-Pinene 18172-67-3 DTXSID1041184 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)[C@@H]2C[C@H]1C(=C)CC2 (-)-beta-Pinene 18172-67-3|(-)-beta-Pinene|(-)-(1S,5S)-beta-pinene|(-)-2(10)-Pinene|(-)-b-pinene|(-)-nopinene|(-)-pin-2(10)-ene|(1S,5S)-2(10)-Pinene|(1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane|(1S,5S)-beta-pinene|(1S,5S)-pin-2(10)-ene|(1S)-(-)-beta-Pinene|1S,5S-(-)-beta-Pinene|Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-|EINECS 242-060-2|L-b-Pinene|l-beta-Pinene|Laevo-b-pinene|UNII-AFN153A7SU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041184
ERPathway2016 ERPathway2016_1352 (-)-beta-Pinene 18172-67-3 DTXSID1041184 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)[C@@H]2C[C@H]1C(=C)CC2 (-)-beta-Pinene 18172-67-3|(-)-beta-Pinene|(-)-(1S,5S)-beta-pinene|(-)-2(10)-Pinene|(-)-b-pinene|(-)-nopinene|(-)-pin-2(10)-ene|(1S,5S)-2(10)-Pinene|(1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane|(1S,5S)-beta-pinene|(1S,5S)-pin-2(10)-ene|(1S)-(-)-beta-Pinene|1S,5S-(-)-beta-Pinene|Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-|EINECS 242-060-2|L-b-Pinene|l-beta-Pinene|Laevo-b-pinene|UNII-AFN153A7SU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041184
ARPathway2016 ARPathway2016_1571 (rel)-Enterolactone 78473-71-9 DTXSID601353537 1.0 R3 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(O)=CC=C2)=CC=C1 (rel)-Enterolactone 78473-71-9|(rel)-Enterolactone|Enterolactone https://comptox.epa.gov/dashboard/chemical/details/DTXSID601353537
ARPathway2016 ARPathway2016_1571 (rel)-Enterolactone 78473-71-9 DTXSID601353537 1.0 R3 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(O)=CC=C2)=CC=C1 (rel)-Enterolactone 78473-71-9|(rel)-Enterolactone|Enterolactone https://comptox.epa.gov/dashboard/chemical/details/DTXSID601353537
ARPathway2016 ARPathway2016_1571 (rel)-Enterolactone 78473-71-9 DTXSID601353537 1.0 R3 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(O)=CC=C2)=CC=C1 (rel)-Enterolactone 78473-71-9|(rel)-Enterolactone|Enterolactone https://comptox.epa.gov/dashboard/chemical/details/DTXSID601353537
ARPathway2016 ARPathway2016_1571 (rel)-Enterolactone 78473-71-9 DTXSID601353537 1.0 R3 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(O)=CC=C2)=CC=C1 (rel)-Enterolactone 78473-71-9|(rel)-Enterolactone|Enterolactone https://comptox.epa.gov/dashboard/chemical/details/DTXSID601353537
ARPathway2016 ARPathway2016_1304 (-)-Nicotine 54-11-5 DTXSID1020930 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN1CCC[C@H]1C1=CN=CC=C1 (-)-Nicotine 54-11-5|(-)-Nicotine|(-)-(S)-Nicotine|(-)-3-(1-Methyl-2-pyrrolidyl)pyridine|(-)-3-(N-Methylpyrrolidino)pyridine|(-)-b-Pyridyl-a-N-methylpyrrolidine|(R,S)-Nicotine|(R)-3-(1-Methyl-2-pyrrolidinyl)pyridine|(S)-(-)-Nicotine|(S)-3-(1-Methyl-2-pyrrolidinyl)pyridine|(S)-3-(N-methylpyrrolidin-2-yl)pyridine|(S)-Nicotine|1-Methyl-2-(3-pyridal)-pyrrolidene|1-Methyl-2-(3-pyridal)-Pyrrolidine|1-Methyl-2-(3-pyridiyl)pyrrolidine|1-Methyl-2-(3-pyridyl)pyrrolidine|2'-beta-H-Nicotine|3-(1-Methyl-2-pyrollidinyl)pyridine|3-(1-Methyl-2-pyrrolidinyl)-Pyridine|3-(1-Methyl-2-pyrrolidinyl)pyridine|3-(1-Methylpyrrolidin-2-yl)pyridine|3-(2-(N-methylpyrrolidinyl))pyridine|3-(N-methylpyrollidino)pyridine|3-(N-Methylpyrrolidino)pyridine|3-[(2S)-1-Methyl-2-pyrrolidinyl]pyridine|3-N-Methylpyrrolidine|a -N-Methylpyrrolidine|a-N-Methylpyrrolidine|alpha-N-Methylpyrrolidine|beta-Pyridyl-alpha-N-methylpyrrolidine|Black leaf|Caswell No. 597|D-Nicotine|delta-Nicotine|Destruxol|Destruxol orchid spray|DL-tetrahydronicotyrine|EINECS 200-193-3|Emo-nik|EPA Pesticide Chem|13890-81-8|13890-82-9|16760-37-5|551-13-3|6912-85-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020930 https://doi.org/10.22427/NTP-DATA-DTXSID1020930
ARPathway2016 ARPathway2016_1304 (-)-Nicotine 54-11-5 DTXSID1020930 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN1CCC[C@H]1C1=CN=CC=C1 (-)-Nicotine 54-11-5|(-)-Nicotine|(-)-(S)-Nicotine|(-)-3-(1-Methyl-2-pyrrolidyl)pyridine|(-)-3-(N-Methylpyrrolidino)pyridine|(-)-b-Pyridyl-a-N-methylpyrrolidine|(R,S)-Nicotine|(R)-3-(1-Methyl-2-pyrrolidinyl)pyridine|(S)-(-)-Nicotine|(S)-3-(1-Methyl-2-pyrrolidinyl)pyridine|(S)-3-(N-methylpyrrolidin-2-yl)pyridine|(S)-Nicotine|1-Methyl-2-(3-pyridal)-pyrrolidene|1-Methyl-2-(3-pyridal)-Pyrrolidine|1-Methyl-2-(3-pyridiyl)pyrrolidine|1-Methyl-2-(3-pyridyl)pyrrolidine|2'-beta-H-Nicotine|3-(1-Methyl-2-pyrollidinyl)pyridine|3-(1-Methyl-2-pyrrolidinyl)-Pyridine|3-(1-Methyl-2-pyrrolidinyl)pyridine|3-(1-Methylpyrrolidin-2-yl)pyridine|3-(2-(N-methylpyrrolidinyl))pyridine|3-(N-methylpyrollidino)pyridine|3-(N-Methylpyrrolidino)pyridine|3-[(2S)-1-Methyl-2-pyrrolidinyl]pyridine|3-N-Methylpyrrolidine|a -N-Methylpyrrolidine|a-N-Methylpyrrolidine|alpha-N-Methylpyrrolidine|beta-Pyridyl-alpha-N-methylpyrrolidine|Black leaf|Caswell No. 597|D-Nicotine|delta-Nicotine|Destruxol|Destruxol orchid spray|DL-tetrahydronicotyrine|EINECS 200-193-3|Emo-nik|EPA Pesticide Chem|13890-81-8|13890-82-9|16760-37-5|551-13-3|6912-85-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020930 https://doi.org/10.22427/NTP-DATA-DTXSID1020930
ARPathway2016 ARPathway2016_1304 (-)-Nicotine 54-11-5 DTXSID1020930 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN1CCC[C@H]1C1=CN=CC=C1 (-)-Nicotine 54-11-5|(-)-Nicotine|(-)-(S)-Nicotine|(-)-3-(1-Methyl-2-pyrrolidyl)pyridine|(-)-3-(N-Methylpyrrolidino)pyridine|(-)-b-Pyridyl-a-N-methylpyrrolidine|(R,S)-Nicotine|(R)-3-(1-Methyl-2-pyrrolidinyl)pyridine|(S)-(-)-Nicotine|(S)-3-(1-Methyl-2-pyrrolidinyl)pyridine|(S)-3-(N-methylpyrrolidin-2-yl)pyridine|(S)-Nicotine|1-Methyl-2-(3-pyridal)-pyrrolidene|1-Methyl-2-(3-pyridal)-Pyrrolidine|1-Methyl-2-(3-pyridiyl)pyrrolidine|1-Methyl-2-(3-pyridyl)pyrrolidine|2'-beta-H-Nicotine|3-(1-Methyl-2-pyrollidinyl)pyridine|3-(1-Methyl-2-pyrrolidinyl)-Pyridine|3-(1-Methyl-2-pyrrolidinyl)pyridine|3-(1-Methylpyrrolidin-2-yl)pyridine|3-(2-(N-methylpyrrolidinyl))pyridine|3-(N-methylpyrollidino)pyridine|3-(N-Methylpyrrolidino)pyridine|3-[(2S)-1-Methyl-2-pyrrolidinyl]pyridine|3-N-Methylpyrrolidine|a -N-Methylpyrrolidine|a-N-Methylpyrrolidine|alpha-N-Methylpyrrolidine|beta-Pyridyl-alpha-N-methylpyrrolidine|Black leaf|Caswell No. 597|D-Nicotine|delta-Nicotine|Destruxol|Destruxol orchid spray|DL-tetrahydronicotyrine|EINECS 200-193-3|Emo-nik|EPA Pesticide Chem|13890-81-8|13890-82-9|16760-37-5|551-13-3|6912-85-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020930 https://doi.org/10.22427/NTP-DATA-DTXSID1020930
ARPathway2016 ARPathway2016_1304 (-)-Nicotine 54-11-5 DTXSID1020930 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN1CCC[C@H]1C1=CN=CC=C1 (-)-Nicotine 54-11-5|(-)-Nicotine|(-)-(S)-Nicotine|(-)-3-(1-Methyl-2-pyrrolidyl)pyridine|(-)-3-(N-Methylpyrrolidino)pyridine|(-)-b-Pyridyl-a-N-methylpyrrolidine|(R,S)-Nicotine|(R)-3-(1-Methyl-2-pyrrolidinyl)pyridine|(S)-(-)-Nicotine|(S)-3-(1-Methyl-2-pyrrolidinyl)pyridine|(S)-3-(N-methylpyrrolidin-2-yl)pyridine|(S)-Nicotine|1-Methyl-2-(3-pyridal)-pyrrolidene|1-Methyl-2-(3-pyridal)-Pyrrolidine|1-Methyl-2-(3-pyridiyl)pyrrolidine|1-Methyl-2-(3-pyridyl)pyrrolidine|2'-beta-H-Nicotine|3-(1-Methyl-2-pyrollidinyl)pyridine|3-(1-Methyl-2-pyrrolidinyl)-Pyridine|3-(1-Methyl-2-pyrrolidinyl)pyridine|3-(1-Methylpyrrolidin-2-yl)pyridine|3-(2-(N-methylpyrrolidinyl))pyridine|3-(N-methylpyrollidino)pyridine|3-(N-Methylpyrrolidino)pyridine|3-[(2S)-1-Methyl-2-pyrrolidinyl]pyridine|3-N-Methylpyrrolidine|a -N-Methylpyrrolidine|a-N-Methylpyrrolidine|alpha-N-Methylpyrrolidine|beta-Pyridyl-alpha-N-methylpyrrolidine|Black leaf|Caswell No. 597|D-Nicotine|delta-Nicotine|Destruxol|Destruxol orchid spray|DL-tetrahydronicotyrine|EINECS 200-193-3|Emo-nik|EPA Pesticide Chem|13890-81-8|13890-82-9|16760-37-5|551-13-3|6912-85-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020930 https://doi.org/10.22427/NTP-DATA-DTXSID1020930
ERPathway2016 ERPathway2016_917 (-)-Nicotine 54-11-5 DTXSID1020930 ER Pathway Model, Agonist Model Score 0 Unitless CN1CCC[C@H]1C1=CN=CC=C1 (-)-Nicotine 54-11-5|(-)-Nicotine|(-)-(S)-Nicotine|(-)-3-(1-Methyl-2-pyrrolidyl)pyridine|(-)-3-(N-Methylpyrrolidino)pyridine|(-)-b-Pyridyl-a-N-methylpyrrolidine|(R,S)-Nicotine|(R)-3-(1-Methyl-2-pyrrolidinyl)pyridine|(S)-(-)-Nicotine|(S)-3-(1-Methyl-2-pyrrolidinyl)pyridine|(S)-3-(N-methylpyrrolidin-2-yl)pyridine|(S)-Nicotine|1-Methyl-2-(3-pyridal)-pyrrolidene|1-Methyl-2-(3-pyridal)-Pyrrolidine|1-Methyl-2-(3-pyridiyl)pyrrolidine|1-Methyl-2-(3-pyridyl)pyrrolidine|2'-beta-H-Nicotine|3-(1-Methyl-2-pyrollidinyl)pyridine|3-(1-Methyl-2-pyrrolidinyl)-Pyridine|3-(1-Methyl-2-pyrrolidinyl)pyridine|3-(1-Methylpyrrolidin-2-yl)pyridine|3-(2-(N-methylpyrrolidinyl))pyridine|3-(N-methylpyrollidino)pyridine|3-(N-Methylpyrrolidino)pyridine|3-[(2S)-1-Methyl-2-pyrrolidinyl]pyridine|3-N-Methylpyrrolidine|a -N-Methylpyrrolidine|a-N-Methylpyrrolidine|alpha-N-Methylpyrrolidine|beta-Pyridyl-alpha-N-methylpyrrolidine|Black leaf|Caswell No. 597|D-Nicotine|delta-Nicotine|Destruxol|Destruxol orchid spray|DL-tetrahydronicotyrine|EINECS 200-193-3|Emo-nik|EPA Pesticide Chem|13890-81-8|13890-82-9|16760-37-5|551-13-3|6912-85-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020930 https://doi.org/10.22427/NTP-DATA-DTXSID1020930
ERPathway2016 ERPathway2016_917 (-)-Nicotine 54-11-5 DTXSID1020930 ER Pathway Model, Antagonist Model Score 0 Unitless CN1CCC[C@H]1C1=CN=CC=C1 (-)-Nicotine 54-11-5|(-)-Nicotine|(-)-(S)-Nicotine|(-)-3-(1-Methyl-2-pyrrolidyl)pyridine|(-)-3-(N-Methylpyrrolidino)pyridine|(-)-b-Pyridyl-a-N-methylpyrrolidine|(R,S)-Nicotine|(R)-3-(1-Methyl-2-pyrrolidinyl)pyridine|(S)-(-)-Nicotine|(S)-3-(1-Methyl-2-pyrrolidinyl)pyridine|(S)-3-(N-methylpyrrolidin-2-yl)pyridine|(S)-Nicotine|1-Methyl-2-(3-pyridal)-pyrrolidene|1-Methyl-2-(3-pyridal)-Pyrrolidine|1-Methyl-2-(3-pyridiyl)pyrrolidine|1-Methyl-2-(3-pyridyl)pyrrolidine|2'-beta-H-Nicotine|3-(1-Methyl-2-pyrollidinyl)pyridine|3-(1-Methyl-2-pyrrolidinyl)-Pyridine|3-(1-Methyl-2-pyrrolidinyl)pyridine|3-(1-Methylpyrrolidin-2-yl)pyridine|3-(2-(N-methylpyrrolidinyl))pyridine|3-(N-methylpyrollidino)pyridine|3-(N-Methylpyrrolidino)pyridine|3-[(2S)-1-Methyl-2-pyrrolidinyl]pyridine|3-N-Methylpyrrolidine|a -N-Methylpyrrolidine|a-N-Methylpyrrolidine|alpha-N-Methylpyrrolidine|beta-Pyridyl-alpha-N-methylpyrrolidine|Black leaf|Caswell No. 597|D-Nicotine|delta-Nicotine|Destruxol|Destruxol orchid spray|DL-tetrahydronicotyrine|EINECS 200-193-3|Emo-nik|EPA Pesticide Chem|13890-81-8|13890-82-9|16760-37-5|551-13-3|6912-85-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020930 https://doi.org/10.22427/NTP-DATA-DTXSID1020930
ERPathway2016 ERPathway2016_917 (-)-Nicotine 54-11-5 DTXSID1020930 ER Pathway Model, Agonist Call Inactive Unitless CN1CCC[C@H]1C1=CN=CC=C1 (-)-Nicotine 54-11-5|(-)-Nicotine|(-)-(S)-Nicotine|(-)-3-(1-Methyl-2-pyrrolidyl)pyridine|(-)-3-(N-Methylpyrrolidino)pyridine|(-)-b-Pyridyl-a-N-methylpyrrolidine|(R,S)-Nicotine|(R)-3-(1-Methyl-2-pyrrolidinyl)pyridine|(S)-(-)-Nicotine|(S)-3-(1-Methyl-2-pyrrolidinyl)pyridine|(S)-3-(N-methylpyrrolidin-2-yl)pyridine|(S)-Nicotine|1-Methyl-2-(3-pyridal)-pyrrolidene|1-Methyl-2-(3-pyridal)-Pyrrolidine|1-Methyl-2-(3-pyridiyl)pyrrolidine|1-Methyl-2-(3-pyridyl)pyrrolidine|2'-beta-H-Nicotine|3-(1-Methyl-2-pyrollidinyl)pyridine|3-(1-Methyl-2-pyrrolidinyl)-Pyridine|3-(1-Methyl-2-pyrrolidinyl)pyridine|3-(1-Methylpyrrolidin-2-yl)pyridine|3-(2-(N-methylpyrrolidinyl))pyridine|3-(N-methylpyrollidino)pyridine|3-(N-Methylpyrrolidino)pyridine|3-[(2S)-1-Methyl-2-pyrrolidinyl]pyridine|3-N-Methylpyrrolidine|a -N-Methylpyrrolidine|a-N-Methylpyrrolidine|alpha-N-Methylpyrrolidine|beta-Pyridyl-alpha-N-methylpyrrolidine|Black leaf|Caswell No. 597|D-Nicotine|delta-Nicotine|Destruxol|Destruxol orchid spray|DL-tetrahydronicotyrine|EINECS 200-193-3|Emo-nik|EPA Pesticide Chem|13890-81-8|13890-82-9|16760-37-5|551-13-3|6912-85-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020930 https://doi.org/10.22427/NTP-DATA-DTXSID1020930
ERPathway2016 ERPathway2016_917 (-)-Nicotine 54-11-5 DTXSID1020930 ER Pathway Model, Antagonist Call Inactive Unitless CN1CCC[C@H]1C1=CN=CC=C1 (-)-Nicotine 54-11-5|(-)-Nicotine|(-)-(S)-Nicotine|(-)-3-(1-Methyl-2-pyrrolidyl)pyridine|(-)-3-(N-Methylpyrrolidino)pyridine|(-)-b-Pyridyl-a-N-methylpyrrolidine|(R,S)-Nicotine|(R)-3-(1-Methyl-2-pyrrolidinyl)pyridine|(S)-(-)-Nicotine|(S)-3-(1-Methyl-2-pyrrolidinyl)pyridine|(S)-3-(N-methylpyrrolidin-2-yl)pyridine|(S)-Nicotine|1-Methyl-2-(3-pyridal)-pyrrolidene|1-Methyl-2-(3-pyridal)-Pyrrolidine|1-Methyl-2-(3-pyridiyl)pyrrolidine|1-Methyl-2-(3-pyridyl)pyrrolidine|2'-beta-H-Nicotine|3-(1-Methyl-2-pyrollidinyl)pyridine|3-(1-Methyl-2-pyrrolidinyl)-Pyridine|3-(1-Methyl-2-pyrrolidinyl)pyridine|3-(1-Methylpyrrolidin-2-yl)pyridine|3-(2-(N-methylpyrrolidinyl))pyridine|3-(N-methylpyrollidino)pyridine|3-(N-Methylpyrrolidino)pyridine|3-[(2S)-1-Methyl-2-pyrrolidinyl]pyridine|3-N-Methylpyrrolidine|a -N-Methylpyrrolidine|a-N-Methylpyrrolidine|alpha-N-Methylpyrrolidine|beta-Pyridyl-alpha-N-methylpyrrolidine|Black leaf|Caswell No. 597|D-Nicotine|delta-Nicotine|Destruxol|Destruxol orchid spray|DL-tetrahydronicotyrine|EINECS 200-193-3|Emo-nik|EPA Pesticide Chem|13890-81-8|13890-82-9|16760-37-5|551-13-3|6912-85-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020930 https://doi.org/10.22427/NTP-DATA-DTXSID1020930
ARPathway2016 ARPathway2016_1539 (+-)-Bornyl acetate 76-49-3 DTXSID7041675 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C (+-)-Bornyl acetate 76-49-3|(+-)-Bornyl acetate|(.+-.)-Bornyl acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, endo-|2-Camphanol acetate|2-Camphanyl acetate|Acetate de endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yle|ACETATE, 1,7,7-TRIMETHYL-BICYCLO(2.2.1)HEPT-2-YL, ENDO-|acetato de endo-1,7,7-trimetilbiciclo[2.2.1]hept-2-ilo|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2S,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo-|Borneol, acetate|Borneyl acetate|Bornyl acetic ester|Bornyl acetic ether|Bornyl ethanoate|dl-Bornyl acetate|EINECS 200-964-4|Endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl aceatate|endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate|endo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylacetat|endo-2-Camphanyl ethanoate|endo-Bornyl acetate|FEMA No. 2159|NSC 407158|UNII-213431586X|1192038-28-0|15313-72-1|1990151-21-7|36386-52-4|76306-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041675
ARPathway2016 ARPathway2016_1539 (+-)-Bornyl acetate 76-49-3 DTXSID7041675 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C (+-)-Bornyl acetate 76-49-3|(+-)-Bornyl acetate|(.+-.)-Bornyl acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, endo-|2-Camphanol acetate|2-Camphanyl acetate|Acetate de endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yle|ACETATE, 1,7,7-TRIMETHYL-BICYCLO(2.2.1)HEPT-2-YL, ENDO-|acetato de endo-1,7,7-trimetilbiciclo[2.2.1]hept-2-ilo|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2S,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo-|Borneol, acetate|Borneyl acetate|Bornyl acetic ester|Bornyl acetic ether|Bornyl ethanoate|dl-Bornyl acetate|EINECS 200-964-4|Endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl aceatate|endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate|endo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylacetat|endo-2-Camphanyl ethanoate|endo-Bornyl acetate|FEMA No. 2159|NSC 407158|UNII-213431586X|1192038-28-0|15313-72-1|1990151-21-7|36386-52-4|76306-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041675
ARPathway2016 ARPathway2016_1539 (+-)-Bornyl acetate 76-49-3 DTXSID7041675 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C (+-)-Bornyl acetate 76-49-3|(+-)-Bornyl acetate|(.+-.)-Bornyl acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, endo-|2-Camphanol acetate|2-Camphanyl acetate|Acetate de endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yle|ACETATE, 1,7,7-TRIMETHYL-BICYCLO(2.2.1)HEPT-2-YL, ENDO-|acetato de endo-1,7,7-trimetilbiciclo[2.2.1]hept-2-ilo|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2S,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo-|Borneol, acetate|Borneyl acetate|Bornyl acetic ester|Bornyl acetic ether|Bornyl ethanoate|dl-Bornyl acetate|EINECS 200-964-4|Endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl aceatate|endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate|endo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylacetat|endo-2-Camphanyl ethanoate|endo-Bornyl acetate|FEMA No. 2159|NSC 407158|UNII-213431586X|1192038-28-0|15313-72-1|1990151-21-7|36386-52-4|76306-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041675
ARPathway2016 ARPathway2016_1539 (+-)-Bornyl acetate 76-49-3 DTXSID7041675 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C (+-)-Bornyl acetate 76-49-3|(+-)-Bornyl acetate|(.+-.)-Bornyl acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, endo-|2-Camphanol acetate|2-Camphanyl acetate|Acetate de endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yle|ACETATE, 1,7,7-TRIMETHYL-BICYCLO(2.2.1)HEPT-2-YL, ENDO-|acetato de endo-1,7,7-trimetilbiciclo[2.2.1]hept-2-ilo|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2S,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo-|Borneol, acetate|Borneyl acetate|Bornyl acetic ester|Bornyl acetic ether|Bornyl ethanoate|dl-Bornyl acetate|EINECS 200-964-4|Endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl aceatate|endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate|endo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylacetat|endo-2-Camphanyl ethanoate|endo-Bornyl acetate|FEMA No. 2159|NSC 407158|UNII-213431586X|1192038-28-0|15313-72-1|1990151-21-7|36386-52-4|76306-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041675
ERPathway2016 ERPathway2016_1646 (+-)-Bornyl acetate 76-49-3 DTXSID7041675 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C (+-)-Bornyl acetate 76-49-3|(+-)-Bornyl acetate|(.+-.)-Bornyl acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, endo-|2-Camphanol acetate|2-Camphanyl acetate|Acetate de endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yle|ACETATE, 1,7,7-TRIMETHYL-BICYCLO(2.2.1)HEPT-2-YL, ENDO-|acetato de endo-1,7,7-trimetilbiciclo[2.2.1]hept-2-ilo|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2S,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo-|Borneol, acetate|Borneyl acetate|Bornyl acetic ester|Bornyl acetic ether|Bornyl ethanoate|dl-Bornyl acetate|EINECS 200-964-4|Endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl aceatate|endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate|endo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylacetat|endo-2-Camphanyl ethanoate|endo-Bornyl acetate|FEMA No. 2159|NSC 407158|UNII-213431586X|1192038-28-0|15313-72-1|1990151-21-7|36386-52-4|76306-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041675
ERPathway2016 ERPathway2016_1646 (+-)-Bornyl acetate 76-49-3 DTXSID7041675 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C (+-)-Bornyl acetate 76-49-3|(+-)-Bornyl acetate|(.+-.)-Bornyl acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, endo-|2-Camphanol acetate|2-Camphanyl acetate|Acetate de endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yle|ACETATE, 1,7,7-TRIMETHYL-BICYCLO(2.2.1)HEPT-2-YL, ENDO-|acetato de endo-1,7,7-trimetilbiciclo[2.2.1]hept-2-ilo|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2S,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo-|Borneol, acetate|Borneyl acetate|Bornyl acetic ester|Bornyl acetic ether|Bornyl ethanoate|dl-Bornyl acetate|EINECS 200-964-4|Endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl aceatate|endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate|endo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylacetat|endo-2-Camphanyl ethanoate|endo-Bornyl acetate|FEMA No. 2159|NSC 407158|UNII-213431586X|1192038-28-0|15313-72-1|1990151-21-7|36386-52-4|76306-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041675
ERPathway2016 ERPathway2016_1646 (+-)-Bornyl acetate 76-49-3 DTXSID7041675 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C (+-)-Bornyl acetate 76-49-3|(+-)-Bornyl acetate|(.+-.)-Bornyl acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, endo-|2-Camphanol acetate|2-Camphanyl acetate|Acetate de endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yle|ACETATE, 1,7,7-TRIMETHYL-BICYCLO(2.2.1)HEPT-2-YL, ENDO-|acetato de endo-1,7,7-trimetilbiciclo[2.2.1]hept-2-ilo|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2S,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo-|Borneol, acetate|Borneyl acetate|Bornyl acetic ester|Bornyl acetic ether|Bornyl ethanoate|dl-Bornyl acetate|EINECS 200-964-4|Endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl aceatate|endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate|endo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylacetat|endo-2-Camphanyl ethanoate|endo-Bornyl acetate|FEMA No. 2159|NSC 407158|UNII-213431586X|1192038-28-0|15313-72-1|1990151-21-7|36386-52-4|76306-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041675
ERPathway2016 ERPathway2016_1646 (+-)-Bornyl acetate 76-49-3 DTXSID7041675 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C (+-)-Bornyl acetate 76-49-3|(+-)-Bornyl acetate|(.+-.)-Bornyl acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, endo-|2-Camphanol acetate|2-Camphanyl acetate|Acetate de endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yle|ACETATE, 1,7,7-TRIMETHYL-BICYCLO(2.2.1)HEPT-2-YL, ENDO-|acetato de endo-1,7,7-trimetilbiciclo[2.2.1]hept-2-ilo|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2S,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo-|Borneol, acetate|Borneyl acetate|Bornyl acetic ester|Bornyl acetic ether|Bornyl ethanoate|dl-Bornyl acetate|EINECS 200-964-4|Endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl aceatate|endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate|endo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylacetat|endo-2-Camphanyl ethanoate|endo-Bornyl acetate|FEMA No. 2159|NSC 407158|UNII-213431586X|1192038-28-0|15313-72-1|1990151-21-7|36386-52-4|76306-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041675
ARPathway2016 ARPathway2016_1260 (+-)-Diclofop-methyl 51338-27-3 DTXSID0032605 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C(C)OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1 (+-)-Diclofop-methyl 51338-27-3|(+-)-Diclofop-methyl|(+ or -)-Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propionate|(+-)-Diclofop-methyl|2-(4-(2,4-Dichlorophenoxy)phenoxy)propanoic acid methyl ester|BRN 2224754|Caswell No. 319A|Dichlordiphenprop|Diclofop methyl|Diclofop methyl ester|Diclofop-methyl|EINECS 257-141-8|EPA Pesticide Chemical Code 110902|HOE 23408 oh|Hoegrass|Illoxan|Illoxan-Technical|Methyl (RS)-2-[4-(2,4-dichlorophenoxy)phenoxy]propionate|Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propanoate|Methyl diclofop|Methyldiclofop|Propanoic acid, 2-[4-(2,4-dichlorophenoxy)phenoxy]-, methyl ester|UNII-9T8QCB25UO https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032605
ARPathway2016 ARPathway2016_1260 (+-)-Diclofop-methyl 51338-27-3 DTXSID0032605 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)C(C)OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1 (+-)-Diclofop-methyl 51338-27-3|(+-)-Diclofop-methyl|(+ or -)-Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propionate|(+-)-Diclofop-methyl|2-(4-(2,4-Dichlorophenoxy)phenoxy)propanoic acid methyl ester|BRN 2224754|Caswell No. 319A|Dichlordiphenprop|Diclofop methyl|Diclofop methyl ester|Diclofop-methyl|EINECS 257-141-8|EPA Pesticide Chemical Code 110902|HOE 23408 oh|Hoegrass|Illoxan|Illoxan-Technical|Methyl (RS)-2-[4-(2,4-dichlorophenoxy)phenoxy]propionate|Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propanoate|Methyl diclofop|Methyldiclofop|Propanoic acid, 2-[4-(2,4-dichlorophenoxy)phenoxy]-, methyl ester|UNII-9T8QCB25UO https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032605
ARPathway2016 ARPathway2016_1260 (+-)-Diclofop-methyl 51338-27-3 DTXSID0032605 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)C(C)OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1 (+-)-Diclofop-methyl 51338-27-3|(+-)-Diclofop-methyl|(+ or -)-Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propionate|(+-)-Diclofop-methyl|2-(4-(2,4-Dichlorophenoxy)phenoxy)propanoic acid methyl ester|BRN 2224754|Caswell No. 319A|Dichlordiphenprop|Diclofop methyl|Diclofop methyl ester|Diclofop-methyl|EINECS 257-141-8|EPA Pesticide Chemical Code 110902|HOE 23408 oh|Hoegrass|Illoxan|Illoxan-Technical|Methyl (RS)-2-[4-(2,4-dichlorophenoxy)phenoxy]propionate|Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propanoate|Methyl diclofop|Methyldiclofop|Propanoic acid, 2-[4-(2,4-dichlorophenoxy)phenoxy]-, methyl ester|UNII-9T8QCB25UO https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032605
ARPathway2016 ARPathway2016_1260 (+-)-Diclofop-methyl 51338-27-3 DTXSID0032605 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)C(C)OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1 (+-)-Diclofop-methyl 51338-27-3|(+-)-Diclofop-methyl|(+ or -)-Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propionate|(+-)-Diclofop-methyl|2-(4-(2,4-Dichlorophenoxy)phenoxy)propanoic acid methyl ester|BRN 2224754|Caswell No. 319A|Dichlordiphenprop|Diclofop methyl|Diclofop methyl ester|Diclofop-methyl|EINECS 257-141-8|EPA Pesticide Chemical Code 110902|HOE 23408 oh|Hoegrass|Illoxan|Illoxan-Technical|Methyl (RS)-2-[4-(2,4-dichlorophenoxy)phenoxy]propionate|Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propanoate|Methyl diclofop|Methyldiclofop|Propanoic acid, 2-[4-(2,4-dichlorophenoxy)phenoxy]-, methyl ester|UNII-9T8QCB25UO https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032605
ERPathway2016 ERPathway2016_1505 (+-)-Diclofop-methyl 51338-27-3 DTXSID0032605 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)C(C)OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1 (+-)-Diclofop-methyl 51338-27-3|(+-)-Diclofop-methyl|(+ or -)-Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propionate|(+-)-Diclofop-methyl|2-(4-(2,4-Dichlorophenoxy)phenoxy)propanoic acid methyl ester|BRN 2224754|Caswell No. 319A|Dichlordiphenprop|Diclofop methyl|Diclofop methyl ester|Diclofop-methyl|EINECS 257-141-8|EPA Pesticide Chemical Code 110902|HOE 23408 oh|Hoegrass|Illoxan|Illoxan-Technical|Methyl (RS)-2-[4-(2,4-dichlorophenoxy)phenoxy]propionate|Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propanoate|Methyl diclofop|Methyldiclofop|Propanoic acid, 2-[4-(2,4-dichlorophenoxy)phenoxy]-, methyl ester|UNII-9T8QCB25UO https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032605
ERPathway2016 ERPathway2016_1505 (+-)-Diclofop-methyl 51338-27-3 DTXSID0032605 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C(C)OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1 (+-)-Diclofop-methyl 51338-27-3|(+-)-Diclofop-methyl|(+ or -)-Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propionate|(+-)-Diclofop-methyl|2-(4-(2,4-Dichlorophenoxy)phenoxy)propanoic acid methyl ester|BRN 2224754|Caswell No. 319A|Dichlordiphenprop|Diclofop methyl|Diclofop methyl ester|Diclofop-methyl|EINECS 257-141-8|EPA Pesticide Chemical Code 110902|HOE 23408 oh|Hoegrass|Illoxan|Illoxan-Technical|Methyl (RS)-2-[4-(2,4-dichlorophenoxy)phenoxy]propionate|Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propanoate|Methyl diclofop|Methyldiclofop|Propanoic acid, 2-[4-(2,4-dichlorophenoxy)phenoxy]-, methyl ester|UNII-9T8QCB25UO https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032605
ERPathway2016 ERPathway2016_1505 (+-)-Diclofop-methyl 51338-27-3 DTXSID0032605 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)C(C)OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1 (+-)-Diclofop-methyl 51338-27-3|(+-)-Diclofop-methyl|(+ or -)-Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propionate|(+-)-Diclofop-methyl|2-(4-(2,4-Dichlorophenoxy)phenoxy)propanoic acid methyl ester|BRN 2224754|Caswell No. 319A|Dichlordiphenprop|Diclofop methyl|Diclofop methyl ester|Diclofop-methyl|EINECS 257-141-8|EPA Pesticide Chemical Code 110902|HOE 23408 oh|Hoegrass|Illoxan|Illoxan-Technical|Methyl (RS)-2-[4-(2,4-dichlorophenoxy)phenoxy]propionate|Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propanoate|Methyl diclofop|Methyldiclofop|Propanoic acid, 2-[4-(2,4-dichlorophenoxy)phenoxy]-, methyl ester|UNII-9T8QCB25UO https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032605
ERPathway2016 ERPathway2016_1505 (+-)-Diclofop-methyl 51338-27-3 DTXSID0032605 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)C(C)OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1 (+-)-Diclofop-methyl 51338-27-3|(+-)-Diclofop-methyl|(+ or -)-Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propionate|(+-)-Diclofop-methyl|2-(4-(2,4-Dichlorophenoxy)phenoxy)propanoic acid methyl ester|BRN 2224754|Caswell No. 319A|Dichlordiphenprop|Diclofop methyl|Diclofop methyl ester|Diclofop-methyl|EINECS 257-141-8|EPA Pesticide Chemical Code 110902|HOE 23408 oh|Hoegrass|Illoxan|Illoxan-Technical|Methyl (RS)-2-[4-(2,4-dichlorophenoxy)phenoxy]propionate|Methyl 2-(4-(2,4-dichlorophenoxy)phenoxy)propanoate|Methyl diclofop|Methyldiclofop|Propanoic acid, 2-[4-(2,4-dichlorophenoxy)phenoxy]-, methyl ester|UNII-9T8QCB25UO https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032605
ARPathway2016 ARPathway2016_1728 (+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid 93-65-2 DTXSID9024194 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(OC1=C(C)C=C(Cl)C=C1)C(O)=O (+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid 93-65-2|(+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid|(+/-)- Mecoprop|(+/-)-2-((4-Chloro-o-tolyl)oxy)propionic acid|(+/-)-2-(4-Chloro-2-methylphenoxy)propanoic acid|(+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid|(+/-)-mecoprop|(RS)-2-(4-chloro-o-tolyloxy)-propionic acid|(RS)-mecoprop|2-(2-Methyl-4-chlorophenoxy)propanoic acid|2-(2-Methyl-4-chlorophenoxy)propionic acid|2-(2-Methyl-4-chlorphenoxy)-propionsaeure|2-(4-Chloor-2-methyl-fenoxy)-propionzuur|2-(4-Chlor-2-methyl-phenoxy)-propionsaeure|2-(4-Chlor-2-methylphenoxy)propionsaure|2-(4-Chloro-2-methylphenoxy)propanoic acid|2-(4-chloro-2-methylphenoxy)propionic acid|2-(4-Chloro-2-tolyloxy)propionic acid|2-(4-Chloro-o-tolyl)oxylpropionic acid|2-(4-Chloro-o-tolyloxy)propionic acid|2-(4-Chlorophenoxy-2-methyl)propionic acid|2-(p-Chloro-o-tolyloxy)propionic acid|202-264-4|2M4KhP|4-Chloro-2-methylphenoxy-alpha-propionic acid|Acide 2-(4-chloro-2-methyl-phenoxy)propionique|Acide 2-(4-chloro-2-methylphenoxy)propionique|Acido 2-(4-cloro-2-metil-fenossi)-propionico|acido 2-(4-cloro-2-metilfenoxi)propionico|alpha-(2-Methy|7085-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024194
ARPathway2016 ARPathway2016_1728 (+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid 93-65-2 DTXSID9024194 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(OC1=C(C)C=C(Cl)C=C1)C(O)=O (+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid 93-65-2|(+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid|(+/-)- Mecoprop|(+/-)-2-((4-Chloro-o-tolyl)oxy)propionic acid|(+/-)-2-(4-Chloro-2-methylphenoxy)propanoic acid|(+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid|(+/-)-mecoprop|(RS)-2-(4-chloro-o-tolyloxy)-propionic acid|(RS)-mecoprop|2-(2-Methyl-4-chlorophenoxy)propanoic acid|2-(2-Methyl-4-chlorophenoxy)propionic acid|2-(2-Methyl-4-chlorphenoxy)-propionsaeure|2-(4-Chloor-2-methyl-fenoxy)-propionzuur|2-(4-Chlor-2-methyl-phenoxy)-propionsaeure|2-(4-Chlor-2-methylphenoxy)propionsaure|2-(4-Chloro-2-methylphenoxy)propanoic acid|2-(4-chloro-2-methylphenoxy)propionic acid|2-(4-Chloro-2-tolyloxy)propionic acid|2-(4-Chloro-o-tolyl)oxylpropionic acid|2-(4-Chloro-o-tolyloxy)propionic acid|2-(4-Chlorophenoxy-2-methyl)propionic acid|2-(p-Chloro-o-tolyloxy)propionic acid|202-264-4|2M4KhP|4-Chloro-2-methylphenoxy-alpha-propionic acid|Acide 2-(4-chloro-2-methyl-phenoxy)propionique|Acide 2-(4-chloro-2-methylphenoxy)propionique|Acido 2-(4-cloro-2-metil-fenossi)-propionico|acido 2-(4-cloro-2-metilfenoxi)propionico|alpha-(2-Methy|7085-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024194
ARPathway2016 ARPathway2016_1728 (+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid 93-65-2 DTXSID9024194 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(OC1=C(C)C=C(Cl)C=C1)C(O)=O (+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid 93-65-2|(+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid|(+/-)- Mecoprop|(+/-)-2-((4-Chloro-o-tolyl)oxy)propionic acid|(+/-)-2-(4-Chloro-2-methylphenoxy)propanoic acid|(+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid|(+/-)-mecoprop|(RS)-2-(4-chloro-o-tolyloxy)-propionic acid|(RS)-mecoprop|2-(2-Methyl-4-chlorophenoxy)propanoic acid|2-(2-Methyl-4-chlorophenoxy)propionic acid|2-(2-Methyl-4-chlorphenoxy)-propionsaeure|2-(4-Chloor-2-methyl-fenoxy)-propionzuur|2-(4-Chlor-2-methyl-phenoxy)-propionsaeure|2-(4-Chlor-2-methylphenoxy)propionsaure|2-(4-Chloro-2-methylphenoxy)propanoic acid|2-(4-chloro-2-methylphenoxy)propionic acid|2-(4-Chloro-2-tolyloxy)propionic acid|2-(4-Chloro-o-tolyl)oxylpropionic acid|2-(4-Chloro-o-tolyloxy)propionic acid|2-(4-Chlorophenoxy-2-methyl)propionic acid|2-(p-Chloro-o-tolyloxy)propionic acid|202-264-4|2M4KhP|4-Chloro-2-methylphenoxy-alpha-propionic acid|Acide 2-(4-chloro-2-methyl-phenoxy)propionique|Acide 2-(4-chloro-2-methylphenoxy)propionique|Acido 2-(4-cloro-2-metil-fenossi)-propionico|acido 2-(4-cloro-2-metilfenoxi)propionico|alpha-(2-Methy|7085-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024194
ARPathway2016 ARPathway2016_1728 (+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid 93-65-2 DTXSID9024194 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(OC1=C(C)C=C(Cl)C=C1)C(O)=O (+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid 93-65-2|(+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid|(+/-)- Mecoprop|(+/-)-2-((4-Chloro-o-tolyl)oxy)propionic acid|(+/-)-2-(4-Chloro-2-methylphenoxy)propanoic acid|(+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid|(+/-)-mecoprop|(RS)-2-(4-chloro-o-tolyloxy)-propionic acid|(RS)-mecoprop|2-(2-Methyl-4-chlorophenoxy)propanoic acid|2-(2-Methyl-4-chlorophenoxy)propionic acid|2-(2-Methyl-4-chlorphenoxy)-propionsaeure|2-(4-Chloor-2-methyl-fenoxy)-propionzuur|2-(4-Chlor-2-methyl-phenoxy)-propionsaeure|2-(4-Chlor-2-methylphenoxy)propionsaure|2-(4-Chloro-2-methylphenoxy)propanoic acid|2-(4-chloro-2-methylphenoxy)propionic acid|2-(4-Chloro-2-tolyloxy)propionic acid|2-(4-Chloro-o-tolyl)oxylpropionic acid|2-(4-Chloro-o-tolyloxy)propionic acid|2-(4-Chlorophenoxy-2-methyl)propionic acid|2-(p-Chloro-o-tolyloxy)propionic acid|202-264-4|2M4KhP|4-Chloro-2-methylphenoxy-alpha-propionic acid|Acide 2-(4-chloro-2-methyl-phenoxy)propionique|Acide 2-(4-chloro-2-methylphenoxy)propionique|Acido 2-(4-cloro-2-metil-fenossi)-propionico|acido 2-(4-cloro-2-metilfenoxi)propionico|alpha-(2-Methy|7085-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024194
ERPathway2016 ERPathway2016_1748 (+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid 93-65-2 DTXSID9024194 ER Pathway Model, Agonist Model Score 0 Unitless CC(OC1=C(C)C=C(Cl)C=C1)C(O)=O (+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid 93-65-2|(+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid|(+/-)- Mecoprop|(+/-)-2-((4-Chloro-o-tolyl)oxy)propionic acid|(+/-)-2-(4-Chloro-2-methylphenoxy)propanoic acid|(+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid|(+/-)-mecoprop|(RS)-2-(4-chloro-o-tolyloxy)-propionic acid|(RS)-mecoprop|2-(2-Methyl-4-chlorophenoxy)propanoic acid|2-(2-Methyl-4-chlorophenoxy)propionic acid|2-(2-Methyl-4-chlorphenoxy)-propionsaeure|2-(4-Chloor-2-methyl-fenoxy)-propionzuur|2-(4-Chlor-2-methyl-phenoxy)-propionsaeure|2-(4-Chlor-2-methylphenoxy)propionsaure|2-(4-Chloro-2-methylphenoxy)propanoic acid|2-(4-chloro-2-methylphenoxy)propionic acid|2-(4-Chloro-2-tolyloxy)propionic acid|2-(4-Chloro-o-tolyl)oxylpropionic acid|2-(4-Chloro-o-tolyloxy)propionic acid|2-(4-Chlorophenoxy-2-methyl)propionic acid|2-(p-Chloro-o-tolyloxy)propionic acid|202-264-4|2M4KhP|4-Chloro-2-methylphenoxy-alpha-propionic acid|Acide 2-(4-chloro-2-methyl-phenoxy)propionique|Acide 2-(4-chloro-2-methylphenoxy)propionique|Acido 2-(4-cloro-2-metil-fenossi)-propionico|acido 2-(4-cloro-2-metilfenoxi)propionico|alpha-(2-Methy|7085-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024194
ERPathway2016 ERPathway2016_1748 (+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid 93-65-2 DTXSID9024194 ER Pathway Model, Antagonist Model Score 0 Unitless CC(OC1=C(C)C=C(Cl)C=C1)C(O)=O (+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid 93-65-2|(+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid|(+/-)- Mecoprop|(+/-)-2-((4-Chloro-o-tolyl)oxy)propionic acid|(+/-)-2-(4-Chloro-2-methylphenoxy)propanoic acid|(+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid|(+/-)-mecoprop|(RS)-2-(4-chloro-o-tolyloxy)-propionic acid|(RS)-mecoprop|2-(2-Methyl-4-chlorophenoxy)propanoic acid|2-(2-Methyl-4-chlorophenoxy)propionic acid|2-(2-Methyl-4-chlorphenoxy)-propionsaeure|2-(4-Chloor-2-methyl-fenoxy)-propionzuur|2-(4-Chlor-2-methyl-phenoxy)-propionsaeure|2-(4-Chlor-2-methylphenoxy)propionsaure|2-(4-Chloro-2-methylphenoxy)propanoic acid|2-(4-chloro-2-methylphenoxy)propionic acid|2-(4-Chloro-2-tolyloxy)propionic acid|2-(4-Chloro-o-tolyl)oxylpropionic acid|2-(4-Chloro-o-tolyloxy)propionic acid|2-(4-Chlorophenoxy-2-methyl)propionic acid|2-(p-Chloro-o-tolyloxy)propionic acid|202-264-4|2M4KhP|4-Chloro-2-methylphenoxy-alpha-propionic acid|Acide 2-(4-chloro-2-methyl-phenoxy)propionique|Acide 2-(4-chloro-2-methylphenoxy)propionique|Acido 2-(4-cloro-2-metil-fenossi)-propionico|acido 2-(4-cloro-2-metilfenoxi)propionico|alpha-(2-Methy|7085-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024194
ERPathway2016 ERPathway2016_1748 (+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid 93-65-2 DTXSID9024194 ER Pathway Model, Agonist Call Inactive Unitless CC(OC1=C(C)C=C(Cl)C=C1)C(O)=O (+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid 93-65-2|(+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid|(+/-)- Mecoprop|(+/-)-2-((4-Chloro-o-tolyl)oxy)propionic acid|(+/-)-2-(4-Chloro-2-methylphenoxy)propanoic acid|(+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid|(+/-)-mecoprop|(RS)-2-(4-chloro-o-tolyloxy)-propionic acid|(RS)-mecoprop|2-(2-Methyl-4-chlorophenoxy)propanoic acid|2-(2-Methyl-4-chlorophenoxy)propionic acid|2-(2-Methyl-4-chlorphenoxy)-propionsaeure|2-(4-Chloor-2-methyl-fenoxy)-propionzuur|2-(4-Chlor-2-methyl-phenoxy)-propionsaeure|2-(4-Chlor-2-methylphenoxy)propionsaure|2-(4-Chloro-2-methylphenoxy)propanoic acid|2-(4-chloro-2-methylphenoxy)propionic acid|2-(4-Chloro-2-tolyloxy)propionic acid|2-(4-Chloro-o-tolyl)oxylpropionic acid|2-(4-Chloro-o-tolyloxy)propionic acid|2-(4-Chlorophenoxy-2-methyl)propionic acid|2-(p-Chloro-o-tolyloxy)propionic acid|202-264-4|2M4KhP|4-Chloro-2-methylphenoxy-alpha-propionic acid|Acide 2-(4-chloro-2-methyl-phenoxy)propionique|Acide 2-(4-chloro-2-methylphenoxy)propionique|Acido 2-(4-cloro-2-metil-fenossi)-propionico|acido 2-(4-cloro-2-metilfenoxi)propionico|alpha-(2-Methy|7085-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024194
ERPathway2016 ERPathway2016_1748 (+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid 93-65-2 DTXSID9024194 ER Pathway Model, Antagonist Call Inactive Unitless CC(OC1=C(C)C=C(Cl)C=C1)C(O)=O (+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid 93-65-2|(+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid|(+/-)- Mecoprop|(+/-)-2-((4-Chloro-o-tolyl)oxy)propionic acid|(+/-)-2-(4-Chloro-2-methylphenoxy)propanoic acid|(+/-)-2-(4-Chloro-2-methylphenoxy)propionic acid|(+/-)-mecoprop|(RS)-2-(4-chloro-o-tolyloxy)-propionic acid|(RS)-mecoprop|2-(2-Methyl-4-chlorophenoxy)propanoic acid|2-(2-Methyl-4-chlorophenoxy)propionic acid|2-(2-Methyl-4-chlorphenoxy)-propionsaeure|2-(4-Chloor-2-methyl-fenoxy)-propionzuur|2-(4-Chlor-2-methyl-phenoxy)-propionsaeure|2-(4-Chlor-2-methylphenoxy)propionsaure|2-(4-Chloro-2-methylphenoxy)propanoic acid|2-(4-chloro-2-methylphenoxy)propionic acid|2-(4-Chloro-2-tolyloxy)propionic acid|2-(4-Chloro-o-tolyl)oxylpropionic acid|2-(4-Chloro-o-tolyloxy)propionic acid|2-(4-Chlorophenoxy-2-methyl)propionic acid|2-(p-Chloro-o-tolyloxy)propionic acid|202-264-4|2M4KhP|4-Chloro-2-methylphenoxy-alpha-propionic acid|Acide 2-(4-chloro-2-methyl-phenoxy)propionique|Acide 2-(4-chloro-2-methylphenoxy)propionique|Acido 2-(4-cloro-2-metil-fenossi)-propionico|acido 2-(4-cloro-2-metilfenoxi)propionico|alpha-(2-Methy|7085-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024194
ARPathway2016 ARPathway2016_1371 (+/-)-2,3-Dihydroxypropyl tetradecanoate 589-68-4 DTXSID0042454 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCC(=O)OCC(O)CO (+/-)-2,3-Dihydroxypropyl tetradecanoate 589-68-4|(+/-)-2,3-Dihydroxypropyl tetradecanoate|1-Monomyristin|1-Monomyristoyl-rac-glycerol|1-Monotetradecanoylglycerol|1-Myristoyl-rac-glycerol|2,3-Dihydroxypropyl tetradecanoate|2,3-Dihydroxypropyltetradecanoate|Glycerol 1-monotetradecanoate|Glycerol 1-myristate|Glycerol a-monomyristate|Glyceryl myristate|Myristic acid 1-monoglyceride|Myristic acid a-monoglyceride|Myristin, 1-mono-|NSC 404225|rac-1-monomyristoylglycerol|Tetradecanoic acid a-monoglyceride|Tetradecanoic acid, 2, 3- dihydroxypropyl ester|UNII-SMJ2192F1R|a-Monomyristin|75685-84-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042454
ARPathway2016 ARPathway2016_1371 (+/-)-2,3-Dihydroxypropyl tetradecanoate 589-68-4 DTXSID0042454 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCC(=O)OCC(O)CO (+/-)-2,3-Dihydroxypropyl tetradecanoate 589-68-4|(+/-)-2,3-Dihydroxypropyl tetradecanoate|1-Monomyristin|1-Monomyristoyl-rac-glycerol|1-Monotetradecanoylglycerol|1-Myristoyl-rac-glycerol|2,3-Dihydroxypropyl tetradecanoate|2,3-Dihydroxypropyltetradecanoate|Glycerol 1-monotetradecanoate|Glycerol 1-myristate|Glycerol a-monomyristate|Glyceryl myristate|Myristic acid 1-monoglyceride|Myristic acid a-monoglyceride|Myristin, 1-mono-|NSC 404225|rac-1-monomyristoylglycerol|Tetradecanoic acid a-monoglyceride|Tetradecanoic acid, 2, 3- dihydroxypropyl ester|UNII-SMJ2192F1R|a-Monomyristin|75685-84-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042454
ARPathway2016 ARPathway2016_1371 (+/-)-2,3-Dihydroxypropyl tetradecanoate 589-68-4 DTXSID0042454 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCC(=O)OCC(O)CO (+/-)-2,3-Dihydroxypropyl tetradecanoate 589-68-4|(+/-)-2,3-Dihydroxypropyl tetradecanoate|1-Monomyristin|1-Monomyristoyl-rac-glycerol|1-Monotetradecanoylglycerol|1-Myristoyl-rac-glycerol|2,3-Dihydroxypropyl tetradecanoate|2,3-Dihydroxypropyltetradecanoate|Glycerol 1-monotetradecanoate|Glycerol 1-myristate|Glycerol a-monomyristate|Glyceryl myristate|Myristic acid 1-monoglyceride|Myristic acid a-monoglyceride|Myristin, 1-mono-|NSC 404225|rac-1-monomyristoylglycerol|Tetradecanoic acid a-monoglyceride|Tetradecanoic acid, 2, 3- dihydroxypropyl ester|UNII-SMJ2192F1R|a-Monomyristin|75685-84-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042454
ARPathway2016 ARPathway2016_1371 (+/-)-2,3-Dihydroxypropyl tetradecanoate 589-68-4 DTXSID0042454 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCC(=O)OCC(O)CO (+/-)-2,3-Dihydroxypropyl tetradecanoate 589-68-4|(+/-)-2,3-Dihydroxypropyl tetradecanoate|1-Monomyristin|1-Monomyristoyl-rac-glycerol|1-Monotetradecanoylglycerol|1-Myristoyl-rac-glycerol|2,3-Dihydroxypropyl tetradecanoate|2,3-Dihydroxypropyltetradecanoate|Glycerol 1-monotetradecanoate|Glycerol 1-myristate|Glycerol a-monomyristate|Glyceryl myristate|Myristic acid 1-monoglyceride|Myristic acid a-monoglyceride|Myristin, 1-mono-|NSC 404225|rac-1-monomyristoylglycerol|Tetradecanoic acid a-monoglyceride|Tetradecanoic acid, 2, 3- dihydroxypropyl ester|UNII-SMJ2192F1R|a-Monomyristin|75685-84-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042454
ERPathway2016 ERPathway2016_1050 (+/-)-2,3-Dihydroxypropyl tetradecanoate 589-68-4 DTXSID0042454 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCC(=O)OCC(O)CO (+/-)-2,3-Dihydroxypropyl tetradecanoate 589-68-4|(+/-)-2,3-Dihydroxypropyl tetradecanoate|1-Monomyristin|1-Monomyristoyl-rac-glycerol|1-Monotetradecanoylglycerol|1-Myristoyl-rac-glycerol|2,3-Dihydroxypropyl tetradecanoate|2,3-Dihydroxypropyltetradecanoate|Glycerol 1-monotetradecanoate|Glycerol 1-myristate|Glycerol a-monomyristate|Glyceryl myristate|Myristic acid 1-monoglyceride|Myristic acid a-monoglyceride|Myristin, 1-mono-|NSC 404225|rac-1-monomyristoylglycerol|Tetradecanoic acid a-monoglyceride|Tetradecanoic acid, 2, 3- dihydroxypropyl ester|UNII-SMJ2192F1R|a-Monomyristin|75685-84-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042454
ERPathway2016 ERPathway2016_1050 (+/-)-2,3-Dihydroxypropyl tetradecanoate 589-68-4 DTXSID0042454 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCC(=O)OCC(O)CO (+/-)-2,3-Dihydroxypropyl tetradecanoate 589-68-4|(+/-)-2,3-Dihydroxypropyl tetradecanoate|1-Monomyristin|1-Monomyristoyl-rac-glycerol|1-Monotetradecanoylglycerol|1-Myristoyl-rac-glycerol|2,3-Dihydroxypropyl tetradecanoate|2,3-Dihydroxypropyltetradecanoate|Glycerol 1-monotetradecanoate|Glycerol 1-myristate|Glycerol a-monomyristate|Glyceryl myristate|Myristic acid 1-monoglyceride|Myristic acid a-monoglyceride|Myristin, 1-mono-|NSC 404225|rac-1-monomyristoylglycerol|Tetradecanoic acid a-monoglyceride|Tetradecanoic acid, 2, 3- dihydroxypropyl ester|UNII-SMJ2192F1R|a-Monomyristin|75685-84-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042454
ERPathway2016 ERPathway2016_1050 (+/-)-2,3-Dihydroxypropyl tetradecanoate 589-68-4 DTXSID0042454 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCC(=O)OCC(O)CO (+/-)-2,3-Dihydroxypropyl tetradecanoate 589-68-4|(+/-)-2,3-Dihydroxypropyl tetradecanoate|1-Monomyristin|1-Monomyristoyl-rac-glycerol|1-Monotetradecanoylglycerol|1-Myristoyl-rac-glycerol|2,3-Dihydroxypropyl tetradecanoate|2,3-Dihydroxypropyltetradecanoate|Glycerol 1-monotetradecanoate|Glycerol 1-myristate|Glycerol a-monomyristate|Glyceryl myristate|Myristic acid 1-monoglyceride|Myristic acid a-monoglyceride|Myristin, 1-mono-|NSC 404225|rac-1-monomyristoylglycerol|Tetradecanoic acid a-monoglyceride|Tetradecanoic acid, 2, 3- dihydroxypropyl ester|UNII-SMJ2192F1R|a-Monomyristin|75685-84-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042454
ERPathway2016 ERPathway2016_1050 (+/-)-2,3-Dihydroxypropyl tetradecanoate 589-68-4 DTXSID0042454 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCC(=O)OCC(O)CO (+/-)-2,3-Dihydroxypropyl tetradecanoate 589-68-4|(+/-)-2,3-Dihydroxypropyl tetradecanoate|1-Monomyristin|1-Monomyristoyl-rac-glycerol|1-Monotetradecanoylglycerol|1-Myristoyl-rac-glycerol|2,3-Dihydroxypropyl tetradecanoate|2,3-Dihydroxypropyltetradecanoate|Glycerol 1-monotetradecanoate|Glycerol 1-myristate|Glycerol a-monomyristate|Glyceryl myristate|Myristic acid 1-monoglyceride|Myristic acid a-monoglyceride|Myristin, 1-mono-|NSC 404225|rac-1-monomyristoylglycerol|Tetradecanoic acid a-monoglyceride|Tetradecanoic acid, 2, 3- dihydroxypropyl ester|UNII-SMJ2192F1R|a-Monomyristin|75685-84-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042454
ARPathway2016 ARPathway2016_1732 (+/-)-alpha-Methylbenzyl acetate 93-92-5 DTXSID6041636 1.0 A1 AR Pathway Model, Antagonist Model Score 0 Unitless CC(OC(C)=O)C1=CC=CC=C1 (+/-)-alpha-Methylbenzyl acetate 93-92-5|(+/-)-alpha-Methylbenzyl acetate|(+/-)-Styrallyl acetate|4-06-00-03037|alpha-Methylbenzenemethanol acetate|alpha-Methylbenzyl acetate|alpha-Methylbenzyl alcohol acetate|alpha-Phenylethyl acetate|Benzenemethanol, alpha-methyl-, acetate|BRN 1908635|EINECS 202-288-5|FEMA No. 2684|Gardeniol II|Gardenol|Methyl phenyl carbinyl acetate|Methylphenylcarbinol acetate|NSC 2397|Phenylmethylcarbinyl acetate|sec-Phenethyl acetate|Styrallyl acetate|Styralyl acetate|Styrylallyl acetate|UNII-FYS3E9NBA3|1335-75-7|50373-55-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041636
ARPathway2016 ARPathway2016_1732 (+/-)-alpha-Methylbenzyl acetate 93-92-5 DTXSID6041636 1.0 A1 AR Pathway Model, Agonist Model Score 0 Unitless CC(OC(C)=O)C1=CC=CC=C1 (+/-)-alpha-Methylbenzyl acetate 93-92-5|(+/-)-alpha-Methylbenzyl acetate|(+/-)-Styrallyl acetate|4-06-00-03037|alpha-Methylbenzenemethanol acetate|alpha-Methylbenzyl acetate|alpha-Methylbenzyl alcohol acetate|alpha-Phenylethyl acetate|Benzenemethanol, alpha-methyl-, acetate|BRN 1908635|EINECS 202-288-5|FEMA No. 2684|Gardeniol II|Gardenol|Methyl phenyl carbinyl acetate|Methylphenylcarbinol acetate|NSC 2397|Phenylmethylcarbinyl acetate|sec-Phenethyl acetate|Styrallyl acetate|Styralyl acetate|Styrylallyl acetate|UNII-FYS3E9NBA3|1335-75-7|50373-55-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041636
ARPathway2016 ARPathway2016_1732 (+/-)-alpha-Methylbenzyl acetate 93-92-5 DTXSID6041636 1.0 A1 AR Pathway Model, Agonist Call Inactive Unitless CC(OC(C)=O)C1=CC=CC=C1 (+/-)-alpha-Methylbenzyl acetate 93-92-5|(+/-)-alpha-Methylbenzyl acetate|(+/-)-Styrallyl acetate|4-06-00-03037|alpha-Methylbenzenemethanol acetate|alpha-Methylbenzyl acetate|alpha-Methylbenzyl alcohol acetate|alpha-Phenylethyl acetate|Benzenemethanol, alpha-methyl-, acetate|BRN 1908635|EINECS 202-288-5|FEMA No. 2684|Gardeniol II|Gardenol|Methyl phenyl carbinyl acetate|Methylphenylcarbinol acetate|NSC 2397|Phenylmethylcarbinyl acetate|sec-Phenethyl acetate|Styrallyl acetate|Styralyl acetate|Styrylallyl acetate|UNII-FYS3E9NBA3|1335-75-7|50373-55-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041636
ARPathway2016 ARPathway2016_1732 (+/-)-alpha-Methylbenzyl acetate 93-92-5 DTXSID6041636 1.0 A1 AR Pathway Model, Antagonist Call Inactive Unitless CC(OC(C)=O)C1=CC=CC=C1 (+/-)-alpha-Methylbenzyl acetate 93-92-5|(+/-)-alpha-Methylbenzyl acetate|(+/-)-Styrallyl acetate|4-06-00-03037|alpha-Methylbenzenemethanol acetate|alpha-Methylbenzyl acetate|alpha-Methylbenzyl alcohol acetate|alpha-Phenylethyl acetate|Benzenemethanol, alpha-methyl-, acetate|BRN 1908635|EINECS 202-288-5|FEMA No. 2684|Gardeniol II|Gardenol|Methyl phenyl carbinyl acetate|Methylphenylcarbinol acetate|NSC 2397|Phenylmethylcarbinyl acetate|sec-Phenethyl acetate|Styrallyl acetate|Styralyl acetate|Styrylallyl acetate|UNII-FYS3E9NBA3|1335-75-7|50373-55-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041636
ERPathway2016 ERPathway2016_1751 (+/-)-alpha-Methylbenzyl acetate 93-92-5 DTXSID6041636 ER Pathway Model, Agonist Model Score 0 Unitless CC(OC(C)=O)C1=CC=CC=C1 (+/-)-alpha-Methylbenzyl acetate 93-92-5|(+/-)-alpha-Methylbenzyl acetate|(+/-)-Styrallyl acetate|4-06-00-03037|alpha-Methylbenzenemethanol acetate|alpha-Methylbenzyl acetate|alpha-Methylbenzyl alcohol acetate|alpha-Phenylethyl acetate|Benzenemethanol, alpha-methyl-, acetate|BRN 1908635|EINECS 202-288-5|FEMA No. 2684|Gardeniol II|Gardenol|Methyl phenyl carbinyl acetate|Methylphenylcarbinol acetate|NSC 2397|Phenylmethylcarbinyl acetate|sec-Phenethyl acetate|Styrallyl acetate|Styralyl acetate|Styrylallyl acetate|UNII-FYS3E9NBA3|1335-75-7|50373-55-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041636
ERPathway2016 ERPathway2016_1751 (+/-)-alpha-Methylbenzyl acetate 93-92-5 DTXSID6041636 ER Pathway Model, Antagonist Model Score 0 Unitless CC(OC(C)=O)C1=CC=CC=C1 (+/-)-alpha-Methylbenzyl acetate 93-92-5|(+/-)-alpha-Methylbenzyl acetate|(+/-)-Styrallyl acetate|4-06-00-03037|alpha-Methylbenzenemethanol acetate|alpha-Methylbenzyl acetate|alpha-Methylbenzyl alcohol acetate|alpha-Phenylethyl acetate|Benzenemethanol, alpha-methyl-, acetate|BRN 1908635|EINECS 202-288-5|FEMA No. 2684|Gardeniol II|Gardenol|Methyl phenyl carbinyl acetate|Methylphenylcarbinol acetate|NSC 2397|Phenylmethylcarbinyl acetate|sec-Phenethyl acetate|Styrallyl acetate|Styralyl acetate|Styrylallyl acetate|UNII-FYS3E9NBA3|1335-75-7|50373-55-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041636
ERPathway2016 ERPathway2016_1751 (+/-)-alpha-Methylbenzyl acetate 93-92-5 DTXSID6041636 ER Pathway Model, Agonist Call Inactive Unitless CC(OC(C)=O)C1=CC=CC=C1 (+/-)-alpha-Methylbenzyl acetate 93-92-5|(+/-)-alpha-Methylbenzyl acetate|(+/-)-Styrallyl acetate|4-06-00-03037|alpha-Methylbenzenemethanol acetate|alpha-Methylbenzyl acetate|alpha-Methylbenzyl alcohol acetate|alpha-Phenylethyl acetate|Benzenemethanol, alpha-methyl-, acetate|BRN 1908635|EINECS 202-288-5|FEMA No. 2684|Gardeniol II|Gardenol|Methyl phenyl carbinyl acetate|Methylphenylcarbinol acetate|NSC 2397|Phenylmethylcarbinyl acetate|sec-Phenethyl acetate|Styrallyl acetate|Styralyl acetate|Styrylallyl acetate|UNII-FYS3E9NBA3|1335-75-7|50373-55-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041636
ERPathway2016 ERPathway2016_1751 (+/-)-alpha-Methylbenzyl acetate 93-92-5 DTXSID6041636 ER Pathway Model, Antagonist Call Inactive Unitless CC(OC(C)=O)C1=CC=CC=C1 (+/-)-alpha-Methylbenzyl acetate 93-92-5|(+/-)-alpha-Methylbenzyl acetate|(+/-)-Styrallyl acetate|4-06-00-03037|alpha-Methylbenzenemethanol acetate|alpha-Methylbenzyl acetate|alpha-Methylbenzyl alcohol acetate|alpha-Phenylethyl acetate|Benzenemethanol, alpha-methyl-, acetate|BRN 1908635|EINECS 202-288-5|FEMA No. 2684|Gardeniol II|Gardenol|Methyl phenyl carbinyl acetate|Methylphenylcarbinol acetate|NSC 2397|Phenylmethylcarbinyl acetate|sec-Phenethyl acetate|Styrallyl acetate|Styralyl acetate|Styrylallyl acetate|UNII-FYS3E9NBA3|1335-75-7|50373-55-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041636
ARPathway2016 ARPathway2016_970 (2-Dodecenyl)succinic anhydride 19780-11-1 DTXSID7025217 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCC=CCC1CC(=O)OC1=O (2-Dodecenyl)succinic anhydride 19780-11-1|(2-Dodecenyl)succinic anhydride|(2-Dodecen-1-yl)succinic anhydride|2-Dodecenylsuccinic anhydride|2,5-Furandione, 3-(2-dodecen-1-yl)dihydro-|2,5-Furandione, 3-(2-dodecenyl)dihydro-|3-(2-Dodecen-1-yl)dihydro-2,5-furandione|3-(Dodec-2-en-1-yl)dihydrofuran-2,5-dione|EINECS 243-296-9|Succinic anhydride, (2-dodecenyl)-|1338799-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025217 https://doi.org/10.22427/NTP-DATA-DTXSID7025217
ARPathway2016 ARPathway2016_970 (2-Dodecenyl)succinic anhydride 19780-11-1 DTXSID7025217 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCC=CCC1CC(=O)OC1=O (2-Dodecenyl)succinic anhydride 19780-11-1|(2-Dodecenyl)succinic anhydride|(2-Dodecen-1-yl)succinic anhydride|2-Dodecenylsuccinic anhydride|2,5-Furandione, 3-(2-dodecen-1-yl)dihydro-|2,5-Furandione, 3-(2-dodecenyl)dihydro-|3-(2-Dodecen-1-yl)dihydro-2,5-furandione|3-(Dodec-2-en-1-yl)dihydrofuran-2,5-dione|EINECS 243-296-9|Succinic anhydride, (2-dodecenyl)-|1338799-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025217 https://doi.org/10.22427/NTP-DATA-DTXSID7025217
ARPathway2016 ARPathway2016_970 (2-Dodecenyl)succinic anhydride 19780-11-1 DTXSID7025217 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCC=CCC1CC(=O)OC1=O (2-Dodecenyl)succinic anhydride 19780-11-1|(2-Dodecenyl)succinic anhydride|(2-Dodecen-1-yl)succinic anhydride|2-Dodecenylsuccinic anhydride|2,5-Furandione, 3-(2-dodecen-1-yl)dihydro-|2,5-Furandione, 3-(2-dodecenyl)dihydro-|3-(2-Dodecen-1-yl)dihydro-2,5-furandione|3-(Dodec-2-en-1-yl)dihydrofuran-2,5-dione|EINECS 243-296-9|Succinic anhydride, (2-dodecenyl)-|1338799-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025217 https://doi.org/10.22427/NTP-DATA-DTXSID7025217
ARPathway2016 ARPathway2016_970 (2-Dodecenyl)succinic anhydride 19780-11-1 DTXSID7025217 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCC=CCC1CC(=O)OC1=O (2-Dodecenyl)succinic anhydride 19780-11-1|(2-Dodecenyl)succinic anhydride|(2-Dodecen-1-yl)succinic anhydride|2-Dodecenylsuccinic anhydride|2,5-Furandione, 3-(2-dodecen-1-yl)dihydro-|2,5-Furandione, 3-(2-dodecenyl)dihydro-|3-(2-Dodecen-1-yl)dihydro-2,5-furandione|3-(Dodec-2-en-1-yl)dihydrofuran-2,5-dione|EINECS 243-296-9|Succinic anhydride, (2-dodecenyl)-|1338799-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025217 https://doi.org/10.22427/NTP-DATA-DTXSID7025217
ERPathway2016 ERPathway2016_621 (2-Dodecenyl)succinic anhydride 19780-11-1 DTXSID7025217 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCC=CCC1CC(=O)OC1=O (2-Dodecenyl)succinic anhydride 19780-11-1|(2-Dodecenyl)succinic anhydride|(2-Dodecen-1-yl)succinic anhydride|2-Dodecenylsuccinic anhydride|2,5-Furandione, 3-(2-dodecen-1-yl)dihydro-|2,5-Furandione, 3-(2-dodecenyl)dihydro-|3-(2-Dodecen-1-yl)dihydro-2,5-furandione|3-(Dodec-2-en-1-yl)dihydrofuran-2,5-dione|EINECS 243-296-9|Succinic anhydride, (2-dodecenyl)-|1338799-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025217 https://doi.org/10.22427/NTP-DATA-DTXSID7025217
ERPathway2016 ERPathway2016_621 (2-Dodecenyl)succinic anhydride 19780-11-1 DTXSID7025217 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCC=CCC1CC(=O)OC1=O (2-Dodecenyl)succinic anhydride 19780-11-1|(2-Dodecenyl)succinic anhydride|(2-Dodecen-1-yl)succinic anhydride|2-Dodecenylsuccinic anhydride|2,5-Furandione, 3-(2-dodecen-1-yl)dihydro-|2,5-Furandione, 3-(2-dodecenyl)dihydro-|3-(2-Dodecen-1-yl)dihydro-2,5-furandione|3-(Dodec-2-en-1-yl)dihydrofuran-2,5-dione|EINECS 243-296-9|Succinic anhydride, (2-dodecenyl)-|1338799-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025217 https://doi.org/10.22427/NTP-DATA-DTXSID7025217
ERPathway2016 ERPathway2016_621 (2-Dodecenyl)succinic anhydride 19780-11-1 DTXSID7025217 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCC=CCC1CC(=O)OC1=O (2-Dodecenyl)succinic anhydride 19780-11-1|(2-Dodecenyl)succinic anhydride|(2-Dodecen-1-yl)succinic anhydride|2-Dodecenylsuccinic anhydride|2,5-Furandione, 3-(2-dodecen-1-yl)dihydro-|2,5-Furandione, 3-(2-dodecenyl)dihydro-|3-(2-Dodecen-1-yl)dihydro-2,5-furandione|3-(Dodec-2-en-1-yl)dihydrofuran-2,5-dione|EINECS 243-296-9|Succinic anhydride, (2-dodecenyl)-|1338799-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025217 https://doi.org/10.22427/NTP-DATA-DTXSID7025217
ERPathway2016 ERPathway2016_621 (2-Dodecenyl)succinic anhydride 19780-11-1 DTXSID7025217 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCC=CCC1CC(=O)OC1=O (2-Dodecenyl)succinic anhydride 19780-11-1|(2-Dodecenyl)succinic anhydride|(2-Dodecen-1-yl)succinic anhydride|2-Dodecenylsuccinic anhydride|2,5-Furandione, 3-(2-dodecen-1-yl)dihydro-|2,5-Furandione, 3-(2-dodecenyl)dihydro-|3-(2-Dodecen-1-yl)dihydro-2,5-furandione|3-(Dodec-2-en-1-yl)dihydrofuran-2,5-dione|EINECS 243-296-9|Succinic anhydride, (2-dodecenyl)-|1338799-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025217 https://doi.org/10.22427/NTP-DATA-DTXSID7025217
ARPathway2016 ARPathway2016_1470 (2E)-2-Hexenal 6728-26-3 DTXSID1041425 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC=CC=O (2E)-2-Hexenal 6728-26-3|(2E)-2-Hexenal|(2E)-Hex-2-enal|(2E)-Hexenal|(E)-2-Hexen-1-al|(E)-2-Hexenal|2-Hexenal, (2E)-|2-Hexenal, (E)-|2-trans-Hexenal|4-01-00-03468|beta-Propyl acrolein|BRN 1699684|EINECS 229-778-1|FEMA No. 2560|Green leaf aldehyde|HEX-2-ENAL, (E)-|Leaf aldehyde|TRANS-2-HEXANAL|trans-2-Hexen-1-al|trans-2-Hexenal|TRANS-5-HEXENAL|trans-Hex-2-enal|UNII-69JX3AIR1I https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041425
ARPathway2016 ARPathway2016_1470 (2E)-2-Hexenal 6728-26-3 DTXSID1041425 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCC=CC=O (2E)-2-Hexenal 6728-26-3|(2E)-2-Hexenal|(2E)-Hex-2-enal|(2E)-Hexenal|(E)-2-Hexen-1-al|(E)-2-Hexenal|2-Hexenal, (2E)-|2-Hexenal, (E)-|2-trans-Hexenal|4-01-00-03468|beta-Propyl acrolein|BRN 1699684|EINECS 229-778-1|FEMA No. 2560|Green leaf aldehyde|HEX-2-ENAL, (E)-|Leaf aldehyde|TRANS-2-HEXANAL|trans-2-Hexen-1-al|trans-2-Hexenal|TRANS-5-HEXENAL|trans-Hex-2-enal|UNII-69JX3AIR1I https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041425
ARPathway2016 ARPathway2016_1470 (2E)-2-Hexenal 6728-26-3 DTXSID1041425 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCC=CC=O (2E)-2-Hexenal 6728-26-3|(2E)-2-Hexenal|(2E)-Hex-2-enal|(2E)-Hexenal|(E)-2-Hexen-1-al|(E)-2-Hexenal|2-Hexenal, (2E)-|2-Hexenal, (E)-|2-trans-Hexenal|4-01-00-03468|beta-Propyl acrolein|BRN 1699684|EINECS 229-778-1|FEMA No. 2560|Green leaf aldehyde|HEX-2-ENAL, (E)-|Leaf aldehyde|TRANS-2-HEXANAL|trans-2-Hexen-1-al|trans-2-Hexenal|TRANS-5-HEXENAL|trans-Hex-2-enal|UNII-69JX3AIR1I https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041425
ARPathway2016 ARPathway2016_1470 (2E)-2-Hexenal 6728-26-3 DTXSID1041425 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCC=CC=O (2E)-2-Hexenal 6728-26-3|(2E)-2-Hexenal|(2E)-Hex-2-enal|(2E)-Hexenal|(E)-2-Hexen-1-al|(E)-2-Hexenal|2-Hexenal, (2E)-|2-Hexenal, (E)-|2-trans-Hexenal|4-01-00-03468|beta-Propyl acrolein|BRN 1699684|EINECS 229-778-1|FEMA No. 2560|Green leaf aldehyde|HEX-2-ENAL, (E)-|Leaf aldehyde|TRANS-2-HEXANAL|trans-2-Hexen-1-al|trans-2-Hexenal|TRANS-5-HEXENAL|trans-Hex-2-enal|UNII-69JX3AIR1I https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041425
ERPathway2016 ERPathway2016_1604 (2E)-2-Hexenal 6728-26-3 DTXSID1041425 ER Pathway Model, Agonist Model Score 0 Unitless CCCC=CC=O (2E)-2-Hexenal 6728-26-3|(2E)-2-Hexenal|(2E)-Hex-2-enal|(2E)-Hexenal|(E)-2-Hexen-1-al|(E)-2-Hexenal|2-Hexenal, (2E)-|2-Hexenal, (E)-|2-trans-Hexenal|4-01-00-03468|beta-Propyl acrolein|BRN 1699684|EINECS 229-778-1|FEMA No. 2560|Green leaf aldehyde|HEX-2-ENAL, (E)-|Leaf aldehyde|TRANS-2-HEXANAL|trans-2-Hexen-1-al|trans-2-Hexenal|TRANS-5-HEXENAL|trans-Hex-2-enal|UNII-69JX3AIR1I https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041425
ERPathway2016 ERPathway2016_1604 (2E)-2-Hexenal 6728-26-3 DTXSID1041425 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC=CC=O (2E)-2-Hexenal 6728-26-3|(2E)-2-Hexenal|(2E)-Hex-2-enal|(2E)-Hexenal|(E)-2-Hexen-1-al|(E)-2-Hexenal|2-Hexenal, (2E)-|2-Hexenal, (E)-|2-trans-Hexenal|4-01-00-03468|beta-Propyl acrolein|BRN 1699684|EINECS 229-778-1|FEMA No. 2560|Green leaf aldehyde|HEX-2-ENAL, (E)-|Leaf aldehyde|TRANS-2-HEXANAL|trans-2-Hexen-1-al|trans-2-Hexenal|TRANS-5-HEXENAL|trans-Hex-2-enal|UNII-69JX3AIR1I https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041425
ERPathway2016 ERPathway2016_1604 (2E)-2-Hexenal 6728-26-3 DTXSID1041425 ER Pathway Model, Agonist Call Inactive Unitless CCCC=CC=O (2E)-2-Hexenal 6728-26-3|(2E)-2-Hexenal|(2E)-Hex-2-enal|(2E)-Hexenal|(E)-2-Hexen-1-al|(E)-2-Hexenal|2-Hexenal, (2E)-|2-Hexenal, (E)-|2-trans-Hexenal|4-01-00-03468|beta-Propyl acrolein|BRN 1699684|EINECS 229-778-1|FEMA No. 2560|Green leaf aldehyde|HEX-2-ENAL, (E)-|Leaf aldehyde|TRANS-2-HEXANAL|trans-2-Hexen-1-al|trans-2-Hexenal|TRANS-5-HEXENAL|trans-Hex-2-enal|UNII-69JX3AIR1I https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041425
ERPathway2016 ERPathway2016_1604 (2E)-2-Hexenal 6728-26-3 DTXSID1041425 ER Pathway Model, Antagonist Call Inactive Unitless CCCC=CC=O (2E)-2-Hexenal 6728-26-3|(2E)-2-Hexenal|(2E)-Hex-2-enal|(2E)-Hexenal|(E)-2-Hexen-1-al|(E)-2-Hexenal|2-Hexenal, (2E)-|2-Hexenal, (E)-|2-trans-Hexenal|4-01-00-03468|beta-Propyl acrolein|BRN 1699684|EINECS 229-778-1|FEMA No. 2560|Green leaf aldehyde|HEX-2-ENAL, (E)-|Leaf aldehyde|TRANS-2-HEXANAL|trans-2-Hexen-1-al|trans-2-Hexenal|TRANS-5-HEXENAL|trans-Hex-2-enal|UNII-69JX3AIR1I https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041425
ARPathway2016 ARPathway2016_855 (2E)-3-Phenylprop-2-enal 14371-10-9 DTXSID6024834 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=CC=CC1=CC=CC=C1 (2E)-3-Phenylprop-2-enal 14371-10-9|(2E)-3-Phenylprop-2-enal|(2E)-3-Phenyl-2-propenal|(2E)-3-phenylacrylaldehyde|(E)-3-Phenyl-2-propenal|(E)-3-Phenylacrolein|(E)-3-Phenylprop-2-enal|(E)-3-Phenylprop-2-enone|(E)-3-Phenylpropenal|(E)-Cinnamaldehyde|(E)-Cinnamic aldehyde|2-Propenal, 3-phenyl-, (2E)-|2-Propenal, 3-phenyl-, (E)-|3-Fenylpropenal|3-Phenyl-2-propen-1-al|3-Phenyl-2-propenaldehyde|3-Phenylacrolein|3-phenylacrylaldehyde|3-Phenylprop-2-enal|3-Phenylpropenal|4-07-00-00984|Benzylideneacetaldehyde|beta-Phenylcrolein|BRN 1071571|Cinnamal|Cinnamaldehyde, (E)-|Cinnamic aldehyde|Cinnamyl aldehyde|Cinnamylaldehyde|Cinnemaldehyde|E-Cinnamyl aldehyde|trans-3-Phenyl-2-propenal|trans-3-Phenylpropenal|trans-Benzenepropenal|trans-Cinnamaldehyde|trans-Cinnamic aldehyde|trans-Cinnamylaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024834 https://doi.org/10.22427/NTP-DATA-DTXSID6024834
ARPathway2016 ARPathway2016_855 (2E)-3-Phenylprop-2-enal 14371-10-9 DTXSID6024834 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=CC=CC1=CC=CC=C1 (2E)-3-Phenylprop-2-enal 14371-10-9|(2E)-3-Phenylprop-2-enal|(2E)-3-Phenyl-2-propenal|(2E)-3-phenylacrylaldehyde|(E)-3-Phenyl-2-propenal|(E)-3-Phenylacrolein|(E)-3-Phenylprop-2-enal|(E)-3-Phenylprop-2-enone|(E)-3-Phenylpropenal|(E)-Cinnamaldehyde|(E)-Cinnamic aldehyde|2-Propenal, 3-phenyl-, (2E)-|2-Propenal, 3-phenyl-, (E)-|3-Fenylpropenal|3-Phenyl-2-propen-1-al|3-Phenyl-2-propenaldehyde|3-Phenylacrolein|3-phenylacrylaldehyde|3-Phenylprop-2-enal|3-Phenylpropenal|4-07-00-00984|Benzylideneacetaldehyde|beta-Phenylcrolein|BRN 1071571|Cinnamal|Cinnamaldehyde, (E)-|Cinnamic aldehyde|Cinnamyl aldehyde|Cinnamylaldehyde|Cinnemaldehyde|E-Cinnamyl aldehyde|trans-3-Phenyl-2-propenal|trans-3-Phenylpropenal|trans-Benzenepropenal|trans-Cinnamaldehyde|trans-Cinnamic aldehyde|trans-Cinnamylaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024834 https://doi.org/10.22427/NTP-DATA-DTXSID6024834
ARPathway2016 ARPathway2016_855 (2E)-3-Phenylprop-2-enal 14371-10-9 DTXSID6024834 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=CC=CC1=CC=CC=C1 (2E)-3-Phenylprop-2-enal 14371-10-9|(2E)-3-Phenylprop-2-enal|(2E)-3-Phenyl-2-propenal|(2E)-3-phenylacrylaldehyde|(E)-3-Phenyl-2-propenal|(E)-3-Phenylacrolein|(E)-3-Phenylprop-2-enal|(E)-3-Phenylprop-2-enone|(E)-3-Phenylpropenal|(E)-Cinnamaldehyde|(E)-Cinnamic aldehyde|2-Propenal, 3-phenyl-, (2E)-|2-Propenal, 3-phenyl-, (E)-|3-Fenylpropenal|3-Phenyl-2-propen-1-al|3-Phenyl-2-propenaldehyde|3-Phenylacrolein|3-phenylacrylaldehyde|3-Phenylprop-2-enal|3-Phenylpropenal|4-07-00-00984|Benzylideneacetaldehyde|beta-Phenylcrolein|BRN 1071571|Cinnamal|Cinnamaldehyde, (E)-|Cinnamic aldehyde|Cinnamyl aldehyde|Cinnamylaldehyde|Cinnemaldehyde|E-Cinnamyl aldehyde|trans-3-Phenyl-2-propenal|trans-3-Phenylpropenal|trans-Benzenepropenal|trans-Cinnamaldehyde|trans-Cinnamic aldehyde|trans-Cinnamylaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024834 https://doi.org/10.22427/NTP-DATA-DTXSID6024834
ARPathway2016 ARPathway2016_855 (2E)-3-Phenylprop-2-enal 14371-10-9 DTXSID6024834 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=CC=CC1=CC=CC=C1 (2E)-3-Phenylprop-2-enal 14371-10-9|(2E)-3-Phenylprop-2-enal|(2E)-3-Phenyl-2-propenal|(2E)-3-phenylacrylaldehyde|(E)-3-Phenyl-2-propenal|(E)-3-Phenylacrolein|(E)-3-Phenylprop-2-enal|(E)-3-Phenylprop-2-enone|(E)-3-Phenylpropenal|(E)-Cinnamaldehyde|(E)-Cinnamic aldehyde|2-Propenal, 3-phenyl-, (2E)-|2-Propenal, 3-phenyl-, (E)-|3-Fenylpropenal|3-Phenyl-2-propen-1-al|3-Phenyl-2-propenaldehyde|3-Phenylacrolein|3-phenylacrylaldehyde|3-Phenylprop-2-enal|3-Phenylpropenal|4-07-00-00984|Benzylideneacetaldehyde|beta-Phenylcrolein|BRN 1071571|Cinnamal|Cinnamaldehyde, (E)-|Cinnamic aldehyde|Cinnamyl aldehyde|Cinnamylaldehyde|Cinnemaldehyde|E-Cinnamyl aldehyde|trans-3-Phenyl-2-propenal|trans-3-Phenylpropenal|trans-Benzenepropenal|trans-Cinnamaldehyde|trans-Cinnamic aldehyde|trans-Cinnamylaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024834 https://doi.org/10.22427/NTP-DATA-DTXSID6024834
ERPathway2016 ERPathway2016_358 (2E)-3-Phenylprop-2-enal 14371-10-9 DTXSID6024834 ER Pathway Model, Antagonist AC50 25.8042444554466 uM O=CC=CC1=CC=CC=C1 (2E)-3-Phenylprop-2-enal 14371-10-9|(2E)-3-Phenylprop-2-enal|(2E)-3-Phenyl-2-propenal|(2E)-3-phenylacrylaldehyde|(E)-3-Phenyl-2-propenal|(E)-3-Phenylacrolein|(E)-3-Phenylprop-2-enal|(E)-3-Phenylprop-2-enone|(E)-3-Phenylpropenal|(E)-Cinnamaldehyde|(E)-Cinnamic aldehyde|2-Propenal, 3-phenyl-, (2E)-|2-Propenal, 3-phenyl-, (E)-|3-Fenylpropenal|3-Phenyl-2-propen-1-al|3-Phenyl-2-propenaldehyde|3-Phenylacrolein|3-phenylacrylaldehyde|3-Phenylprop-2-enal|3-Phenylpropenal|4-07-00-00984|Benzylideneacetaldehyde|beta-Phenylcrolein|BRN 1071571|Cinnamal|Cinnamaldehyde, (E)-|Cinnamic aldehyde|Cinnamyl aldehyde|Cinnamylaldehyde|Cinnemaldehyde|E-Cinnamyl aldehyde|trans-3-Phenyl-2-propenal|trans-3-Phenylpropenal|trans-Benzenepropenal|trans-Cinnamaldehyde|trans-Cinnamic aldehyde|trans-Cinnamylaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024834 https://doi.org/10.22427/NTP-DATA-DTXSID6024834
ERPathway2016 ERPathway2016_358 (2E)-3-Phenylprop-2-enal 14371-10-9 DTXSID6024834 ER Pathway Model, Antagonist ACC 26.0215522475371 uM O=CC=CC1=CC=CC=C1 (2E)-3-Phenylprop-2-enal 14371-10-9|(2E)-3-Phenylprop-2-enal|(2E)-3-Phenyl-2-propenal|(2E)-3-phenylacrylaldehyde|(E)-3-Phenyl-2-propenal|(E)-3-Phenylacrolein|(E)-3-Phenylprop-2-enal|(E)-3-Phenylprop-2-enone|(E)-3-Phenylpropenal|(E)-Cinnamaldehyde|(E)-Cinnamic aldehyde|2-Propenal, 3-phenyl-, (2E)-|2-Propenal, 3-phenyl-, (E)-|3-Fenylpropenal|3-Phenyl-2-propen-1-al|3-Phenyl-2-propenaldehyde|3-Phenylacrolein|3-phenylacrylaldehyde|3-Phenylprop-2-enal|3-Phenylpropenal|4-07-00-00984|Benzylideneacetaldehyde|beta-Phenylcrolein|BRN 1071571|Cinnamal|Cinnamaldehyde, (E)-|Cinnamic aldehyde|Cinnamyl aldehyde|Cinnamylaldehyde|Cinnemaldehyde|E-Cinnamyl aldehyde|trans-3-Phenyl-2-propenal|trans-3-Phenylpropenal|trans-Benzenepropenal|trans-Cinnamaldehyde|trans-Cinnamic aldehyde|trans-Cinnamylaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024834 https://doi.org/10.22427/NTP-DATA-DTXSID6024834
ERPathway2016 ERPathway2016_358 (2E)-3-Phenylprop-2-enal 14371-10-9 DTXSID6024834 ER Pathway Model, Agonist Model Score 0.0167 Unitless O=CC=CC1=CC=CC=C1 (2E)-3-Phenylprop-2-enal 14371-10-9|(2E)-3-Phenylprop-2-enal|(2E)-3-Phenyl-2-propenal|(2E)-3-phenylacrylaldehyde|(E)-3-Phenyl-2-propenal|(E)-3-Phenylacrolein|(E)-3-Phenylprop-2-enal|(E)-3-Phenylprop-2-enone|(E)-3-Phenylpropenal|(E)-Cinnamaldehyde|(E)-Cinnamic aldehyde|2-Propenal, 3-phenyl-, (2E)-|2-Propenal, 3-phenyl-, (E)-|3-Fenylpropenal|3-Phenyl-2-propen-1-al|3-Phenyl-2-propenaldehyde|3-Phenylacrolein|3-phenylacrylaldehyde|3-Phenylprop-2-enal|3-Phenylpropenal|4-07-00-00984|Benzylideneacetaldehyde|beta-Phenylcrolein|BRN 1071571|Cinnamal|Cinnamaldehyde, (E)-|Cinnamic aldehyde|Cinnamyl aldehyde|Cinnamylaldehyde|Cinnemaldehyde|E-Cinnamyl aldehyde|trans-3-Phenyl-2-propenal|trans-3-Phenylpropenal|trans-Benzenepropenal|trans-Cinnamaldehyde|trans-Cinnamic aldehyde|trans-Cinnamylaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024834 https://doi.org/10.22427/NTP-DATA-DTXSID6024834
ERPathway2016 ERPathway2016_358 (2E)-3-Phenylprop-2-enal 14371-10-9 DTXSID6024834 ER Pathway Model, Antagonist Model Score 0 Unitless O=CC=CC1=CC=CC=C1 (2E)-3-Phenylprop-2-enal 14371-10-9|(2E)-3-Phenylprop-2-enal|(2E)-3-Phenyl-2-propenal|(2E)-3-phenylacrylaldehyde|(E)-3-Phenyl-2-propenal|(E)-3-Phenylacrolein|(E)-3-Phenylprop-2-enal|(E)-3-Phenylprop-2-enone|(E)-3-Phenylpropenal|(E)-Cinnamaldehyde|(E)-Cinnamic aldehyde|2-Propenal, 3-phenyl-, (2E)-|2-Propenal, 3-phenyl-, (E)-|3-Fenylpropenal|3-Phenyl-2-propen-1-al|3-Phenyl-2-propenaldehyde|3-Phenylacrolein|3-phenylacrylaldehyde|3-Phenylprop-2-enal|3-Phenylpropenal|4-07-00-00984|Benzylideneacetaldehyde|beta-Phenylcrolein|BRN 1071571|Cinnamal|Cinnamaldehyde, (E)-|Cinnamic aldehyde|Cinnamyl aldehyde|Cinnamylaldehyde|Cinnemaldehyde|E-Cinnamyl aldehyde|trans-3-Phenyl-2-propenal|trans-3-Phenylpropenal|trans-Benzenepropenal|trans-Cinnamaldehyde|trans-Cinnamic aldehyde|trans-Cinnamylaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024834 https://doi.org/10.22427/NTP-DATA-DTXSID6024834
ERPathway2016 ERPathway2016_358 (2E)-3-Phenylprop-2-enal 14371-10-9 DTXSID6024834 ER Pathway Model, Agonist Call Inactive Unitless O=CC=CC1=CC=CC=C1 (2E)-3-Phenylprop-2-enal 14371-10-9|(2E)-3-Phenylprop-2-enal|(2E)-3-Phenyl-2-propenal|(2E)-3-phenylacrylaldehyde|(E)-3-Phenyl-2-propenal|(E)-3-Phenylacrolein|(E)-3-Phenylprop-2-enal|(E)-3-Phenylprop-2-enone|(E)-3-Phenylpropenal|(E)-Cinnamaldehyde|(E)-Cinnamic aldehyde|2-Propenal, 3-phenyl-, (2E)-|2-Propenal, 3-phenyl-, (E)-|3-Fenylpropenal|3-Phenyl-2-propen-1-al|3-Phenyl-2-propenaldehyde|3-Phenylacrolein|3-phenylacrylaldehyde|3-Phenylprop-2-enal|3-Phenylpropenal|4-07-00-00984|Benzylideneacetaldehyde|beta-Phenylcrolein|BRN 1071571|Cinnamal|Cinnamaldehyde, (E)-|Cinnamic aldehyde|Cinnamyl aldehyde|Cinnamylaldehyde|Cinnemaldehyde|E-Cinnamyl aldehyde|trans-3-Phenyl-2-propenal|trans-3-Phenylpropenal|trans-Benzenepropenal|trans-Cinnamaldehyde|trans-Cinnamic aldehyde|trans-Cinnamylaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024834 https://doi.org/10.22427/NTP-DATA-DTXSID6024834
ERPathway2016 ERPathway2016_358 (2E)-3-Phenylprop-2-enal 14371-10-9 DTXSID6024834 ER Pathway Model, Antagonist Call Active Unitless O=CC=CC1=CC=CC=C1 (2E)-3-Phenylprop-2-enal 14371-10-9|(2E)-3-Phenylprop-2-enal|(2E)-3-Phenyl-2-propenal|(2E)-3-phenylacrylaldehyde|(E)-3-Phenyl-2-propenal|(E)-3-Phenylacrolein|(E)-3-Phenylprop-2-enal|(E)-3-Phenylprop-2-enone|(E)-3-Phenylpropenal|(E)-Cinnamaldehyde|(E)-Cinnamic aldehyde|2-Propenal, 3-phenyl-, (2E)-|2-Propenal, 3-phenyl-, (E)-|3-Fenylpropenal|3-Phenyl-2-propen-1-al|3-Phenyl-2-propenaldehyde|3-Phenylacrolein|3-phenylacrylaldehyde|3-Phenylprop-2-enal|3-Phenylpropenal|4-07-00-00984|Benzylideneacetaldehyde|beta-Phenylcrolein|BRN 1071571|Cinnamal|Cinnamaldehyde, (E)-|Cinnamic aldehyde|Cinnamyl aldehyde|Cinnamylaldehyde|Cinnemaldehyde|E-Cinnamyl aldehyde|trans-3-Phenyl-2-propenal|trans-3-Phenylpropenal|trans-Benzenepropenal|trans-Cinnamaldehyde|trans-Cinnamic aldehyde|trans-Cinnamylaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024834 https://doi.org/10.22427/NTP-DATA-DTXSID6024834
ARPathway2016 ARPathway2016_379 (2R,6S)-Fenpropimorph 67564-91-4 DTXSID4034601 1.0 Agonist AR Pathway Model, Antagonist AC50 48.56785309 uM CC(CN1C[C@H](C)O[C@H](C)C1)CC1=CC=C(C=C1)C(C)(C)C (2R,6S)-Fenpropimorph 67564-91-4|(2R,6S)-Fenpropimorph|(+/-)-cis-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|(2R,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-propanyl)phenyl]propyl}morpholine|4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|BAS 42100F|cis-2,6-Dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)morpholine|cis-4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine|cis-4-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-4-[3-(p-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-Fenpropimorph|Corbel|EINECS 266-719-9|Fenpropimorph|Fenpropimorphe|Forbel 750|Mistral|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, (2R,6S)-rel-|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, cis-|rel-(2R,6S)-4-[3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine|Volley 88OL|74545-06-5|74545-07-6|76492-89-2|91269-52-2|95754-31-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034601
ARPathway2016 ARPathway2016_379 (2R,6S)-Fenpropimorph 67564-91-4 DTXSID4034601 1.0 Agonist AR Pathway Model, Antagonist ACC 42.62846755 uM CC(CN1C[C@H](C)O[C@H](C)C1)CC1=CC=C(C=C1)C(C)(C)C (2R,6S)-Fenpropimorph 67564-91-4|(2R,6S)-Fenpropimorph|(+/-)-cis-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|(2R,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-propanyl)phenyl]propyl}morpholine|4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|BAS 42100F|cis-2,6-Dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)morpholine|cis-4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine|cis-4-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-4-[3-(p-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-Fenpropimorph|Corbel|EINECS 266-719-9|Fenpropimorph|Fenpropimorphe|Forbel 750|Mistral|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, (2R,6S)-rel-|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, cis-|rel-(2R,6S)-4-[3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine|Volley 88OL|74545-06-5|74545-07-6|76492-89-2|91269-52-2|95754-31-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034601
ARPathway2016 ARPathway2016_379 (2R,6S)-Fenpropimorph 67564-91-4 DTXSID4034601 1.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless CC(CN1C[C@H](C)O[C@H](C)C1)CC1=CC=C(C=C1)C(C)(C)C (2R,6S)-Fenpropimorph 67564-91-4|(2R,6S)-Fenpropimorph|(+/-)-cis-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|(2R,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-propanyl)phenyl]propyl}morpholine|4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|BAS 42100F|cis-2,6-Dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)morpholine|cis-4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine|cis-4-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-4-[3-(p-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-Fenpropimorph|Corbel|EINECS 266-719-9|Fenpropimorph|Fenpropimorphe|Forbel 750|Mistral|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, (2R,6S)-rel-|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, cis-|rel-(2R,6S)-4-[3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine|Volley 88OL|74545-06-5|74545-07-6|76492-89-2|91269-52-2|95754-31-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034601
ARPathway2016 ARPathway2016_379 (2R,6S)-Fenpropimorph 67564-91-4 DTXSID4034601 1.0 Agonist AR Pathway Model, Agonist Model Score 0.0729 Unitless CC(CN1C[C@H](C)O[C@H](C)C1)CC1=CC=C(C=C1)C(C)(C)C (2R,6S)-Fenpropimorph 67564-91-4|(2R,6S)-Fenpropimorph|(+/-)-cis-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|(2R,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-propanyl)phenyl]propyl}morpholine|4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|BAS 42100F|cis-2,6-Dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)morpholine|cis-4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine|cis-4-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-4-[3-(p-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-Fenpropimorph|Corbel|EINECS 266-719-9|Fenpropimorph|Fenpropimorphe|Forbel 750|Mistral|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, (2R,6S)-rel-|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, cis-|rel-(2R,6S)-4-[3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine|Volley 88OL|74545-06-5|74545-07-6|76492-89-2|91269-52-2|95754-31-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034601
ARPathway2016 ARPathway2016_379 (2R,6S)-Fenpropimorph 67564-91-4 DTXSID4034601 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless CC(CN1C[C@H](C)O[C@H](C)C1)CC1=CC=C(C=C1)C(C)(C)C (2R,6S)-Fenpropimorph 67564-91-4|(2R,6S)-Fenpropimorph|(+/-)-cis-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|(2R,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-propanyl)phenyl]propyl}morpholine|4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|BAS 42100F|cis-2,6-Dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)morpholine|cis-4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine|cis-4-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-4-[3-(p-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-Fenpropimorph|Corbel|EINECS 266-719-9|Fenpropimorph|Fenpropimorphe|Forbel 750|Mistral|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, (2R,6S)-rel-|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, cis-|rel-(2R,6S)-4-[3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine|Volley 88OL|74545-06-5|74545-07-6|76492-89-2|91269-52-2|95754-31-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034601
ARPathway2016 ARPathway2016_379 (2R,6S)-Fenpropimorph 67564-91-4 DTXSID4034601 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless CC(CN1C[C@H](C)O[C@H](C)C1)CC1=CC=C(C=C1)C(C)(C)C (2R,6S)-Fenpropimorph 67564-91-4|(2R,6S)-Fenpropimorph|(+/-)-cis-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|(2R,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-propanyl)phenyl]propyl}morpholine|4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|BAS 42100F|cis-2,6-Dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)morpholine|cis-4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine|cis-4-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-4-[3-(p-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-Fenpropimorph|Corbel|EINECS 266-719-9|Fenpropimorph|Fenpropimorphe|Forbel 750|Mistral|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, (2R,6S)-rel-|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, cis-|rel-(2R,6S)-4-[3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine|Volley 88OL|74545-06-5|74545-07-6|76492-89-2|91269-52-2|95754-31-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034601
ERPathway2016 ERPathway2016_867 (2R,6S)-Fenpropimorph 67564-91-4 DTXSID4034601 ER Pathway Model, Agonist Model Score 0 Unitless CC(CN1C[C@H](C)O[C@H](C)C1)CC1=CC=C(C=C1)C(C)(C)C (2R,6S)-Fenpropimorph 67564-91-4|(2R,6S)-Fenpropimorph|(+/-)-cis-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|(2R,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-propanyl)phenyl]propyl}morpholine|4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|BAS 42100F|cis-2,6-Dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)morpholine|cis-4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine|cis-4-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-4-[3-(p-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-Fenpropimorph|Corbel|EINECS 266-719-9|Fenpropimorph|Fenpropimorphe|Forbel 750|Mistral|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, (2R,6S)-rel-|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, cis-|rel-(2R,6S)-4-[3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine|Volley 88OL|74545-06-5|74545-07-6|76492-89-2|91269-52-2|95754-31-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034601
ERPathway2016 ERPathway2016_867 (2R,6S)-Fenpropimorph 67564-91-4 DTXSID4034601 ER Pathway Model, Antagonist Model Score 0 Unitless CC(CN1C[C@H](C)O[C@H](C)C1)CC1=CC=C(C=C1)C(C)(C)C (2R,6S)-Fenpropimorph 67564-91-4|(2R,6S)-Fenpropimorph|(+/-)-cis-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|(2R,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-propanyl)phenyl]propyl}morpholine|4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|BAS 42100F|cis-2,6-Dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)morpholine|cis-4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine|cis-4-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-4-[3-(p-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-Fenpropimorph|Corbel|EINECS 266-719-9|Fenpropimorph|Fenpropimorphe|Forbel 750|Mistral|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, (2R,6S)-rel-|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, cis-|rel-(2R,6S)-4-[3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine|Volley 88OL|74545-06-5|74545-07-6|76492-89-2|91269-52-2|95754-31-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034601
ERPathway2016 ERPathway2016_867 (2R,6S)-Fenpropimorph 67564-91-4 DTXSID4034601 ER Pathway Model, Agonist Call Inactive Unitless CC(CN1C[C@H](C)O[C@H](C)C1)CC1=CC=C(C=C1)C(C)(C)C (2R,6S)-Fenpropimorph 67564-91-4|(2R,6S)-Fenpropimorph|(+/-)-cis-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|(2R,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-propanyl)phenyl]propyl}morpholine|4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|BAS 42100F|cis-2,6-Dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)morpholine|cis-4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine|cis-4-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-4-[3-(p-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-Fenpropimorph|Corbel|EINECS 266-719-9|Fenpropimorph|Fenpropimorphe|Forbel 750|Mistral|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, (2R,6S)-rel-|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, cis-|rel-(2R,6S)-4-[3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine|Volley 88OL|74545-06-5|74545-07-6|76492-89-2|91269-52-2|95754-31-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034601
ERPathway2016 ERPathway2016_867 (2R,6S)-Fenpropimorph 67564-91-4 DTXSID4034601 ER Pathway Model, Antagonist Call Inactive Unitless CC(CN1C[C@H](C)O[C@H](C)C1)CC1=CC=C(C=C1)C(C)(C)C (2R,6S)-Fenpropimorph 67564-91-4|(2R,6S)-Fenpropimorph|(+/-)-cis-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|(2R,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-propanyl)phenyl]propyl}morpholine|4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|BAS 42100F|cis-2,6-Dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)morpholine|cis-4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine|cis-4-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-4-[3-(p-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine|cis-Fenpropimorph|Corbel|EINECS 266-719-9|Fenpropimorph|Fenpropimorphe|Forbel 750|Mistral|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, (2R,6S)-rel-|Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, cis-|rel-(2R,6S)-4-[3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine|Volley 88OL|74545-06-5|74545-07-6|76492-89-2|91269-52-2|95754-31-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034601
ARPathway2016 ARPathway2016_943 (2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid 177785-47-6 DTXSID3047261 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC[C@H](C)[C@H](N1SC2=CC=CC=C2C1=O)C(O)=O (2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid 177785-47-6|(2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid|(2S,3S)-3-methyl-2-(3-oxo-2,3-dihydro-1,2-benzisothiazol-2-yl)valeric acid|(aS)-a-[(1S)-1-Methylpropyl]-3-oxo-1,2-benzisothiazole-2(3H)-acetic acid|1,2-Benzisothiazole-2(3H)-acetic acid a-[(1S)-1-methylpropyl]-3-oxo-, (aS)-|1,2-Benzisothiazole-2(3H)-acetic acid, a-(1-methylpropyl)-3-oxo-, [S-(R*,R*)]-|1,2-Benzisothiazole-2(3H)-acetic acid, a-[(1S)-1-methylpropyl]-3-oxo-, (aS)-|PD 161374 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047261
ARPathway2016 ARPathway2016_943 (2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid 177785-47-6 DTXSID3047261 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC[C@H](C)[C@H](N1SC2=CC=CC=C2C1=O)C(O)=O (2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid 177785-47-6|(2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid|(2S,3S)-3-methyl-2-(3-oxo-2,3-dihydro-1,2-benzisothiazol-2-yl)valeric acid|(aS)-a-[(1S)-1-Methylpropyl]-3-oxo-1,2-benzisothiazole-2(3H)-acetic acid|1,2-Benzisothiazole-2(3H)-acetic acid a-[(1S)-1-methylpropyl]-3-oxo-, (aS)-|1,2-Benzisothiazole-2(3H)-acetic acid, a-(1-methylpropyl)-3-oxo-, [S-(R*,R*)]-|1,2-Benzisothiazole-2(3H)-acetic acid, a-[(1S)-1-methylpropyl]-3-oxo-, (aS)-|PD 161374 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047261
ARPathway2016 ARPathway2016_943 (2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid 177785-47-6 DTXSID3047261 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC[C@H](C)[C@H](N1SC2=CC=CC=C2C1=O)C(O)=O (2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid 177785-47-6|(2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid|(2S,3S)-3-methyl-2-(3-oxo-2,3-dihydro-1,2-benzisothiazol-2-yl)valeric acid|(aS)-a-[(1S)-1-Methylpropyl]-3-oxo-1,2-benzisothiazole-2(3H)-acetic acid|1,2-Benzisothiazole-2(3H)-acetic acid a-[(1S)-1-methylpropyl]-3-oxo-, (aS)-|1,2-Benzisothiazole-2(3H)-acetic acid, a-(1-methylpropyl)-3-oxo-, [S-(R*,R*)]-|1,2-Benzisothiazole-2(3H)-acetic acid, a-[(1S)-1-methylpropyl]-3-oxo-, (aS)-|PD 161374 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047261
ARPathway2016 ARPathway2016_943 (2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid 177785-47-6 DTXSID3047261 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC[C@H](C)[C@H](N1SC2=CC=CC=C2C1=O)C(O)=O (2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid 177785-47-6|(2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid|(2S,3S)-3-methyl-2-(3-oxo-2,3-dihydro-1,2-benzisothiazol-2-yl)valeric acid|(aS)-a-[(1S)-1-Methylpropyl]-3-oxo-1,2-benzisothiazole-2(3H)-acetic acid|1,2-Benzisothiazole-2(3H)-acetic acid a-[(1S)-1-methylpropyl]-3-oxo-, (aS)-|1,2-Benzisothiazole-2(3H)-acetic acid, a-(1-methylpropyl)-3-oxo-, [S-(R*,R*)]-|1,2-Benzisothiazole-2(3H)-acetic acid, a-[(1S)-1-methylpropyl]-3-oxo-, (aS)-|PD 161374 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047261
ERPathway2016 ERPathway2016_1348 (2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid 177785-47-6 DTXSID3047261 ER Pathway Model, Agonist Model Score 0 Unitless CC[C@H](C)[C@H](N1SC2=CC=CC=C2C1=O)C(O)=O (2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid 177785-47-6|(2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid|(2S,3S)-3-methyl-2-(3-oxo-2,3-dihydro-1,2-benzisothiazol-2-yl)valeric acid|(aS)-a-[(1S)-1-Methylpropyl]-3-oxo-1,2-benzisothiazole-2(3H)-acetic acid|1,2-Benzisothiazole-2(3H)-acetic acid a-[(1S)-1-methylpropyl]-3-oxo-, (aS)-|1,2-Benzisothiazole-2(3H)-acetic acid, a-(1-methylpropyl)-3-oxo-, [S-(R*,R*)]-|1,2-Benzisothiazole-2(3H)-acetic acid, a-[(1S)-1-methylpropyl]-3-oxo-, (aS)-|PD 161374 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047261
ERPathway2016 ERPathway2016_1348 (2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid 177785-47-6 DTXSID3047261 ER Pathway Model, Antagonist Model Score 0 Unitless CC[C@H](C)[C@H](N1SC2=CC=CC=C2C1=O)C(O)=O (2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid 177785-47-6|(2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid|(2S,3S)-3-methyl-2-(3-oxo-2,3-dihydro-1,2-benzisothiazol-2-yl)valeric acid|(aS)-a-[(1S)-1-Methylpropyl]-3-oxo-1,2-benzisothiazole-2(3H)-acetic acid|1,2-Benzisothiazole-2(3H)-acetic acid a-[(1S)-1-methylpropyl]-3-oxo-, (aS)-|1,2-Benzisothiazole-2(3H)-acetic acid, a-(1-methylpropyl)-3-oxo-, [S-(R*,R*)]-|1,2-Benzisothiazole-2(3H)-acetic acid, a-[(1S)-1-methylpropyl]-3-oxo-, (aS)-|PD 161374 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047261
ERPathway2016 ERPathway2016_1348 (2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid 177785-47-6 DTXSID3047261 ER Pathway Model, Agonist Call Inactive Unitless CC[C@H](C)[C@H](N1SC2=CC=CC=C2C1=O)C(O)=O (2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid 177785-47-6|(2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid|(2S,3S)-3-methyl-2-(3-oxo-2,3-dihydro-1,2-benzisothiazol-2-yl)valeric acid|(aS)-a-[(1S)-1-Methylpropyl]-3-oxo-1,2-benzisothiazole-2(3H)-acetic acid|1,2-Benzisothiazole-2(3H)-acetic acid a-[(1S)-1-methylpropyl]-3-oxo-, (aS)-|1,2-Benzisothiazole-2(3H)-acetic acid, a-(1-methylpropyl)-3-oxo-, [S-(R*,R*)]-|1,2-Benzisothiazole-2(3H)-acetic acid, a-[(1S)-1-methylpropyl]-3-oxo-, (aS)-|PD 161374 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047261
ERPathway2016 ERPathway2016_1348 (2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid 177785-47-6 DTXSID3047261 ER Pathway Model, Antagonist Call Inactive Unitless CC[C@H](C)[C@H](N1SC2=CC=CC=C2C1=O)C(O)=O (2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid 177785-47-6|(2S,3S)-3-Methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid|(2S,3S)-3-methyl-2-(3-oxo-2,3-dihydro-1,2-benzisothiazol-2-yl)valeric acid|(aS)-a-[(1S)-1-Methylpropyl]-3-oxo-1,2-benzisothiazole-2(3H)-acetic acid|1,2-Benzisothiazole-2(3H)-acetic acid a-[(1S)-1-methylpropyl]-3-oxo-, (aS)-|1,2-Benzisothiazole-2(3H)-acetic acid, a-(1-methylpropyl)-3-oxo-, [S-(R*,R*)]-|1,2-Benzisothiazole-2(3H)-acetic acid, a-[(1S)-1-methylpropyl]-3-oxo-, (aS)-|PD 161374 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047261
ARPathway2016 ARPathway2016_1645 (3,5-Dimethyl-1H-pyrazol-1-yl)methanol 85264-33-1 DTXSID1032513 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=NN(CO)C(C)=C1 (3,5-Dimethyl-1H-pyrazol-1-yl)methanol 85264-33-1|(3,5-Dimethyl-1H-pyrazol-1-yl)methanol|EINECS 286-553-0|UNII-968267D0AP https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032513
ARPathway2016 ARPathway2016_1645 (3,5-Dimethyl-1H-pyrazol-1-yl)methanol 85264-33-1 DTXSID1032513 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=NN(CO)C(C)=C1 (3,5-Dimethyl-1H-pyrazol-1-yl)methanol 85264-33-1|(3,5-Dimethyl-1H-pyrazol-1-yl)methanol|EINECS 286-553-0|UNII-968267D0AP https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032513
ARPathway2016 ARPathway2016_1645 (3,5-Dimethyl-1H-pyrazol-1-yl)methanol 85264-33-1 DTXSID1032513 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=NN(CO)C(C)=C1 (3,5-Dimethyl-1H-pyrazol-1-yl)methanol 85264-33-1|(3,5-Dimethyl-1H-pyrazol-1-yl)methanol|EINECS 286-553-0|UNII-968267D0AP https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032513
ARPathway2016 ARPathway2016_1645 (3,5-Dimethyl-1H-pyrazol-1-yl)methanol 85264-33-1 DTXSID1032513 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=NN(CO)C(C)=C1 (3,5-Dimethyl-1H-pyrazol-1-yl)methanol 85264-33-1|(3,5-Dimethyl-1H-pyrazol-1-yl)methanol|EINECS 286-553-0|UNII-968267D0AP https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032513
ERPathway2016 ERPathway2016_1703 (3,5-Dimethyl-1H-pyrazol-1-yl)methanol 85264-33-1 DTXSID1032513 ER Pathway Model, Agonist Model Score 0 Unitless CC1=NN(CO)C(C)=C1 (3,5-Dimethyl-1H-pyrazol-1-yl)methanol 85264-33-1|(3,5-Dimethyl-1H-pyrazol-1-yl)methanol|EINECS 286-553-0|UNII-968267D0AP https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032513
ERPathway2016 ERPathway2016_1703 (3,5-Dimethyl-1H-pyrazol-1-yl)methanol 85264-33-1 DTXSID1032513 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=NN(CO)C(C)=C1 (3,5-Dimethyl-1H-pyrazol-1-yl)methanol 85264-33-1|(3,5-Dimethyl-1H-pyrazol-1-yl)methanol|EINECS 286-553-0|UNII-968267D0AP https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032513
ERPathway2016 ERPathway2016_1703 (3,5-Dimethyl-1H-pyrazol-1-yl)methanol 85264-33-1 DTXSID1032513 ER Pathway Model, Agonist Call Inactive Unitless CC1=NN(CO)C(C)=C1 (3,5-Dimethyl-1H-pyrazol-1-yl)methanol 85264-33-1|(3,5-Dimethyl-1H-pyrazol-1-yl)methanol|EINECS 286-553-0|UNII-968267D0AP https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032513
ERPathway2016 ERPathway2016_1703 (3,5-Dimethyl-1H-pyrazol-1-yl)methanol 85264-33-1 DTXSID1032513 ER Pathway Model, Antagonist Call Inactive Unitless CC1=NN(CO)C(C)=C1 (3,5-Dimethyl-1H-pyrazol-1-yl)methanol 85264-33-1|(3,5-Dimethyl-1H-pyrazol-1-yl)methanol|EINECS 286-553-0|UNII-968267D0AP https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032513
ARPathway2016 ARPathway2016_1174 (3Z)-3-Hexenyl acetate 3681-71-8 DTXSID0041484 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC=C/CCOC(C)=O (3Z)-3-Hexenyl acetate 3681-71-8|(3Z)-3-Hexenyl acetate|(3Z)-hex-3-en-1-yl acetate|(3Z)-Hexen-1-yl acetate|(Z)-3-Hexen-1-ol acetate|(Z)-3-Hexen-1-yl acetate|(Z)-3-hexenol acetate|(Z)-3-Hexenyl acetate|(Z)-Hex-3-en-1-yl acetate|(Z)-hex-3-enyl acetate|(Z)-Hex-3-enylacetat|3-02-00-00287|3-Hexen-1-ol, 1-acetate, (3Z)-|3-Hexen-1-ol, acetate, (3Z)-|3-Hexen-1-ol, acetate, (Z)-|3-Hexenyl acetate, (Z)-|3Z-Hexenyl acetate|Acetate de (Z)-hex-3-enyle|ACETATE, HEX-3-ENYL, (Z)-|acetato de (Z)-hex-3-enilo|BRN 1721854|cis-3-hexen-1-yl acetate|cis-3-Hexenol acetate|CIS-3-HEXENYL ACETATE|cis-3-Hexenyl ethanoate|cis-Hex-3-en-1-yl acetate|EINECS 222-960-1|FEMA No. 3171|UNII-6INA6GC5I6|z3HAC|25152-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041484
ARPathway2016 ARPathway2016_1174 (3Z)-3-Hexenyl acetate 3681-71-8 DTXSID0041484 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC=C/CCOC(C)=O (3Z)-3-Hexenyl acetate 3681-71-8|(3Z)-3-Hexenyl acetate|(3Z)-hex-3-en-1-yl acetate|(3Z)-Hexen-1-yl acetate|(Z)-3-Hexen-1-ol acetate|(Z)-3-Hexen-1-yl acetate|(Z)-3-hexenol acetate|(Z)-3-Hexenyl acetate|(Z)-Hex-3-en-1-yl acetate|(Z)-hex-3-enyl acetate|(Z)-Hex-3-enylacetat|3-02-00-00287|3-Hexen-1-ol, 1-acetate, (3Z)-|3-Hexen-1-ol, acetate, (3Z)-|3-Hexen-1-ol, acetate, (Z)-|3-Hexenyl acetate, (Z)-|3Z-Hexenyl acetate|Acetate de (Z)-hex-3-enyle|ACETATE, HEX-3-ENYL, (Z)-|acetato de (Z)-hex-3-enilo|BRN 1721854|cis-3-hexen-1-yl acetate|cis-3-Hexenol acetate|CIS-3-HEXENYL ACETATE|cis-3-Hexenyl ethanoate|cis-Hex-3-en-1-yl acetate|EINECS 222-960-1|FEMA No. 3171|UNII-6INA6GC5I6|z3HAC|25152-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041484
ARPathway2016 ARPathway2016_1174 (3Z)-3-Hexenyl acetate 3681-71-8 DTXSID0041484 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC=C/CCOC(C)=O (3Z)-3-Hexenyl acetate 3681-71-8|(3Z)-3-Hexenyl acetate|(3Z)-hex-3-en-1-yl acetate|(3Z)-Hexen-1-yl acetate|(Z)-3-Hexen-1-ol acetate|(Z)-3-Hexen-1-yl acetate|(Z)-3-hexenol acetate|(Z)-3-Hexenyl acetate|(Z)-Hex-3-en-1-yl acetate|(Z)-hex-3-enyl acetate|(Z)-Hex-3-enylacetat|3-02-00-00287|3-Hexen-1-ol, 1-acetate, (3Z)-|3-Hexen-1-ol, acetate, (3Z)-|3-Hexen-1-ol, acetate, (Z)-|3-Hexenyl acetate, (Z)-|3Z-Hexenyl acetate|Acetate de (Z)-hex-3-enyle|ACETATE, HEX-3-ENYL, (Z)-|acetato de (Z)-hex-3-enilo|BRN 1721854|cis-3-hexen-1-yl acetate|cis-3-Hexenol acetate|CIS-3-HEXENYL ACETATE|cis-3-Hexenyl ethanoate|cis-Hex-3-en-1-yl acetate|EINECS 222-960-1|FEMA No. 3171|UNII-6INA6GC5I6|z3HAC|25152-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041484
ARPathway2016 ARPathway2016_1174 (3Z)-3-Hexenyl acetate 3681-71-8 DTXSID0041484 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC=C/CCOC(C)=O (3Z)-3-Hexenyl acetate 3681-71-8|(3Z)-3-Hexenyl acetate|(3Z)-hex-3-en-1-yl acetate|(3Z)-Hexen-1-yl acetate|(Z)-3-Hexen-1-ol acetate|(Z)-3-Hexen-1-yl acetate|(Z)-3-hexenol acetate|(Z)-3-Hexenyl acetate|(Z)-Hex-3-en-1-yl acetate|(Z)-hex-3-enyl acetate|(Z)-Hex-3-enylacetat|3-02-00-00287|3-Hexen-1-ol, 1-acetate, (3Z)-|3-Hexen-1-ol, acetate, (3Z)-|3-Hexen-1-ol, acetate, (Z)-|3-Hexenyl acetate, (Z)-|3Z-Hexenyl acetate|Acetate de (Z)-hex-3-enyle|ACETATE, HEX-3-ENYL, (Z)-|acetato de (Z)-hex-3-enilo|BRN 1721854|cis-3-hexen-1-yl acetate|cis-3-Hexenol acetate|CIS-3-HEXENYL ACETATE|cis-3-Hexenyl ethanoate|cis-Hex-3-en-1-yl acetate|EINECS 222-960-1|FEMA No. 3171|UNII-6INA6GC5I6|z3HAC|25152-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041484
ERPathway2016 ERPathway2016_1470 (3Z)-3-Hexenyl acetate 3681-71-8 DTXSID0041484 ER Pathway Model, Agonist Model Score 0 Unitless CCC=C/CCOC(C)=O (3Z)-3-Hexenyl acetate 3681-71-8|(3Z)-3-Hexenyl acetate|(3Z)-hex-3-en-1-yl acetate|(3Z)-Hexen-1-yl acetate|(Z)-3-Hexen-1-ol acetate|(Z)-3-Hexen-1-yl acetate|(Z)-3-hexenol acetate|(Z)-3-Hexenyl acetate|(Z)-Hex-3-en-1-yl acetate|(Z)-hex-3-enyl acetate|(Z)-Hex-3-enylacetat|3-02-00-00287|3-Hexen-1-ol, 1-acetate, (3Z)-|3-Hexen-1-ol, acetate, (3Z)-|3-Hexen-1-ol, acetate, (Z)-|3-Hexenyl acetate, (Z)-|3Z-Hexenyl acetate|Acetate de (Z)-hex-3-enyle|ACETATE, HEX-3-ENYL, (Z)-|acetato de (Z)-hex-3-enilo|BRN 1721854|cis-3-hexen-1-yl acetate|cis-3-Hexenol acetate|CIS-3-HEXENYL ACETATE|cis-3-Hexenyl ethanoate|cis-Hex-3-en-1-yl acetate|EINECS 222-960-1|FEMA No. 3171|UNII-6INA6GC5I6|z3HAC|25152-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041484
ERPathway2016 ERPathway2016_1470 (3Z)-3-Hexenyl acetate 3681-71-8 DTXSID0041484 ER Pathway Model, Antagonist Model Score 0 Unitless CCC=C/CCOC(C)=O (3Z)-3-Hexenyl acetate 3681-71-8|(3Z)-3-Hexenyl acetate|(3Z)-hex-3-en-1-yl acetate|(3Z)-Hexen-1-yl acetate|(Z)-3-Hexen-1-ol acetate|(Z)-3-Hexen-1-yl acetate|(Z)-3-hexenol acetate|(Z)-3-Hexenyl acetate|(Z)-Hex-3-en-1-yl acetate|(Z)-hex-3-enyl acetate|(Z)-Hex-3-enylacetat|3-02-00-00287|3-Hexen-1-ol, 1-acetate, (3Z)-|3-Hexen-1-ol, acetate, (3Z)-|3-Hexen-1-ol, acetate, (Z)-|3-Hexenyl acetate, (Z)-|3Z-Hexenyl acetate|Acetate de (Z)-hex-3-enyle|ACETATE, HEX-3-ENYL, (Z)-|acetato de (Z)-hex-3-enilo|BRN 1721854|cis-3-hexen-1-yl acetate|cis-3-Hexenol acetate|CIS-3-HEXENYL ACETATE|cis-3-Hexenyl ethanoate|cis-Hex-3-en-1-yl acetate|EINECS 222-960-1|FEMA No. 3171|UNII-6INA6GC5I6|z3HAC|25152-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041484
ERPathway2016 ERPathway2016_1470 (3Z)-3-Hexenyl acetate 3681-71-8 DTXSID0041484 ER Pathway Model, Agonist Call Inactive Unitless CCC=C/CCOC(C)=O (3Z)-3-Hexenyl acetate 3681-71-8|(3Z)-3-Hexenyl acetate|(3Z)-hex-3-en-1-yl acetate|(3Z)-Hexen-1-yl acetate|(Z)-3-Hexen-1-ol acetate|(Z)-3-Hexen-1-yl acetate|(Z)-3-hexenol acetate|(Z)-3-Hexenyl acetate|(Z)-Hex-3-en-1-yl acetate|(Z)-hex-3-enyl acetate|(Z)-Hex-3-enylacetat|3-02-00-00287|3-Hexen-1-ol, 1-acetate, (3Z)-|3-Hexen-1-ol, acetate, (3Z)-|3-Hexen-1-ol, acetate, (Z)-|3-Hexenyl acetate, (Z)-|3Z-Hexenyl acetate|Acetate de (Z)-hex-3-enyle|ACETATE, HEX-3-ENYL, (Z)-|acetato de (Z)-hex-3-enilo|BRN 1721854|cis-3-hexen-1-yl acetate|cis-3-Hexenol acetate|CIS-3-HEXENYL ACETATE|cis-3-Hexenyl ethanoate|cis-Hex-3-en-1-yl acetate|EINECS 222-960-1|FEMA No. 3171|UNII-6INA6GC5I6|z3HAC|25152-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041484
ERPathway2016 ERPathway2016_1470 (3Z)-3-Hexenyl acetate 3681-71-8 DTXSID0041484 ER Pathway Model, Antagonist Call Inactive Unitless CCC=C/CCOC(C)=O (3Z)-3-Hexenyl acetate 3681-71-8|(3Z)-3-Hexenyl acetate|(3Z)-hex-3-en-1-yl acetate|(3Z)-Hexen-1-yl acetate|(Z)-3-Hexen-1-ol acetate|(Z)-3-Hexen-1-yl acetate|(Z)-3-hexenol acetate|(Z)-3-Hexenyl acetate|(Z)-Hex-3-en-1-yl acetate|(Z)-hex-3-enyl acetate|(Z)-Hex-3-enylacetat|3-02-00-00287|3-Hexen-1-ol, 1-acetate, (3Z)-|3-Hexen-1-ol, acetate, (3Z)-|3-Hexen-1-ol, acetate, (Z)-|3-Hexenyl acetate, (Z)-|3Z-Hexenyl acetate|Acetate de (Z)-hex-3-enyle|ACETATE, HEX-3-ENYL, (Z)-|acetato de (Z)-hex-3-enilo|BRN 1721854|cis-3-hexen-1-yl acetate|cis-3-Hexenol acetate|CIS-3-HEXENYL ACETATE|cis-3-Hexenyl ethanoate|cis-Hex-3-en-1-yl acetate|EINECS 222-960-1|FEMA No. 3171|UNII-6INA6GC5I6|z3HAC|25152-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041484
ARPathway2016 ARPathway2016_1001 (4Z)-4-Decenal 21662-09-9 DTXSID5041514 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCC=C/CCC=O (4Z)-4-Decenal 21662-09-9|(4Z)-4-Decenal|cis-4-Decen-1-al|cis-4-Decenal|EINECS 244-514-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041514
ARPathway2016 ARPathway2016_1001 (4Z)-4-Decenal 21662-09-9 DTXSID5041514 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCC=C/CCC=O (4Z)-4-Decenal 21662-09-9|(4Z)-4-Decenal|cis-4-Decen-1-al|cis-4-Decenal|EINECS 244-514-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041514
ARPathway2016 ARPathway2016_1001 (4Z)-4-Decenal 21662-09-9 DTXSID5041514 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCCCCC=C/CCC=O (4Z)-4-Decenal 21662-09-9|(4Z)-4-Decenal|cis-4-Decen-1-al|cis-4-Decenal|EINECS 244-514-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041514
ARPathway2016 ARPathway2016_1001 (4Z)-4-Decenal 21662-09-9 DTXSID5041514 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCC=C/CCC=O (4Z)-4-Decenal 21662-09-9|(4Z)-4-Decenal|cis-4-Decen-1-al|cis-4-Decenal|EINECS 244-514-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041514
ERPathway2016 ERPathway2016_1380 (4Z)-4-Decenal 21662-09-9 DTXSID5041514 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCC=C/CCC=O (4Z)-4-Decenal 21662-09-9|(4Z)-4-Decenal|cis-4-Decen-1-al|cis-4-Decenal|EINECS 244-514-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041514
ERPathway2016 ERPathway2016_1380 (4Z)-4-Decenal 21662-09-9 DTXSID5041514 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCC=C/CCC=O (4Z)-4-Decenal 21662-09-9|(4Z)-4-Decenal|cis-4-Decen-1-al|cis-4-Decenal|EINECS 244-514-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041514
ERPathway2016 ERPathway2016_1380 (4Z)-4-Decenal 21662-09-9 DTXSID5041514 ER Pathway Model, Agonist Call Inactive Unitless CCCCCC=C/CCC=O (4Z)-4-Decenal 21662-09-9|(4Z)-4-Decenal|cis-4-Decen-1-al|cis-4-Decenal|EINECS 244-514-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041514
ERPathway2016 ERPathway2016_1380 (4Z)-4-Decenal 21662-09-9 DTXSID5041514 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCC=C/CCC=O (4Z)-4-Decenal 21662-09-9|(4Z)-4-Decenal|cis-4-Decen-1-al|cis-4-Decenal|EINECS 244-514-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041514
ARPathway2016 ARPathway2016_159 (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9 DTXSID1035288 2.0 AR Pathway Model, Agonist AC50 70.93716181 uM CC=CC=CCCCCCCCO (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-Dodeca-8,10-dienol|8,10-Dodecadien-1-ol|8,10-Dodecadien-1-ol, (8E,10E)-|8,10-Dodecadien-1-ol, (E,E)-|8E,10E-Dodecadien-1-ol|BRN 1907300|Codlelure|Codlemone|EINECS 251-761-2|Feroflon SR 2|Feroflor SR 2|Pherocon CM|trans-8,trans-10-Dodecadien-1-ol|trans-8,trans-10-Dodecadienol|76600-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1035288
ARPathway2016 ARPathway2016_159 (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9 DTXSID1035288 2.0 AR Pathway Model, Agonist ACC 83.88376224 uM CC=CC=CCCCCCCCO (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-Dodeca-8,10-dienol|8,10-Dodecadien-1-ol|8,10-Dodecadien-1-ol, (8E,10E)-|8,10-Dodecadien-1-ol, (E,E)-|8E,10E-Dodecadien-1-ol|BRN 1907300|Codlelure|Codlemone|EINECS 251-761-2|Feroflon SR 2|Feroflor SR 2|Pherocon CM|trans-8,trans-10-Dodecadien-1-ol|trans-8,trans-10-Dodecadienol|76600-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1035288
ARPathway2016 ARPathway2016_159 (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9 DTXSID1035288 2.0 AR Pathway Model, Antagonist Model Score 0.0285 Unitless CC=CC=CCCCCCCCO (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-Dodeca-8,10-dienol|8,10-Dodecadien-1-ol|8,10-Dodecadien-1-ol, (8E,10E)-|8,10-Dodecadien-1-ol, (E,E)-|8E,10E-Dodecadien-1-ol|BRN 1907300|Codlelure|Codlemone|EINECS 251-761-2|Feroflon SR 2|Feroflor SR 2|Pherocon CM|trans-8,trans-10-Dodecadien-1-ol|trans-8,trans-10-Dodecadienol|76600-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1035288
ARPathway2016 ARPathway2016_159 (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9 DTXSID1035288 2.0 AR Pathway Model, Agonist Model Score 0 Unitless CC=CC=CCCCCCCCO (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-Dodeca-8,10-dienol|8,10-Dodecadien-1-ol|8,10-Dodecadien-1-ol, (8E,10E)-|8,10-Dodecadien-1-ol, (E,E)-|8E,10E-Dodecadien-1-ol|BRN 1907300|Codlelure|Codlemone|EINECS 251-761-2|Feroflon SR 2|Feroflor SR 2|Pherocon CM|trans-8,trans-10-Dodecadien-1-ol|trans-8,trans-10-Dodecadienol|76600-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1035288
ARPathway2016 ARPathway2016_159 (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9 DTXSID1035288 2.0 AR Pathway Model, Agonist Call Active Unitless CC=CC=CCCCCCCCO (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-Dodeca-8,10-dienol|8,10-Dodecadien-1-ol|8,10-Dodecadien-1-ol, (8E,10E)-|8,10-Dodecadien-1-ol, (E,E)-|8E,10E-Dodecadien-1-ol|BRN 1907300|Codlelure|Codlemone|EINECS 251-761-2|Feroflon SR 2|Feroflor SR 2|Pherocon CM|trans-8,trans-10-Dodecadien-1-ol|trans-8,trans-10-Dodecadienol|76600-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1035288
ARPathway2016 ARPathway2016_159 (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9 DTXSID1035288 2.0 AR Pathway Model, Antagonist Call Inactive Unitless CC=CC=CCCCCCCCO (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-Dodeca-8,10-dienol|8,10-Dodecadien-1-ol|8,10-Dodecadien-1-ol, (8E,10E)-|8,10-Dodecadien-1-ol, (E,E)-|8E,10E-Dodecadien-1-ol|BRN 1907300|Codlelure|Codlemone|EINECS 251-761-2|Feroflon SR 2|Feroflor SR 2|Pherocon CM|trans-8,trans-10-Dodecadien-1-ol|trans-8,trans-10-Dodecadienol|76600-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1035288
ERPathway2016 ERPathway2016_1458 (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9 DTXSID1035288 ER Pathway Model, Agonist Model Score 0 Unitless CC=CC=CCCCCCCCO (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-Dodeca-8,10-dienol|8,10-Dodecadien-1-ol|8,10-Dodecadien-1-ol, (8E,10E)-|8,10-Dodecadien-1-ol, (E,E)-|8E,10E-Dodecadien-1-ol|BRN 1907300|Codlelure|Codlemone|EINECS 251-761-2|Feroflon SR 2|Feroflor SR 2|Pherocon CM|trans-8,trans-10-Dodecadien-1-ol|trans-8,trans-10-Dodecadienol|76600-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1035288
ERPathway2016 ERPathway2016_1458 (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9 DTXSID1035288 ER Pathway Model, Antagonist Model Score 0 Unitless CC=CC=CCCCCCCCO (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-Dodeca-8,10-dienol|8,10-Dodecadien-1-ol|8,10-Dodecadien-1-ol, (8E,10E)-|8,10-Dodecadien-1-ol, (E,E)-|8E,10E-Dodecadien-1-ol|BRN 1907300|Codlelure|Codlemone|EINECS 251-761-2|Feroflon SR 2|Feroflor SR 2|Pherocon CM|trans-8,trans-10-Dodecadien-1-ol|trans-8,trans-10-Dodecadienol|76600-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1035288
ERPathway2016 ERPathway2016_1458 (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9 DTXSID1035288 ER Pathway Model, Agonist Call Inactive Unitless CC=CC=CCCCCCCCO (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-Dodeca-8,10-dienol|8,10-Dodecadien-1-ol|8,10-Dodecadien-1-ol, (8E,10E)-|8,10-Dodecadien-1-ol, (E,E)-|8E,10E-Dodecadien-1-ol|BRN 1907300|Codlelure|Codlemone|EINECS 251-761-2|Feroflon SR 2|Feroflor SR 2|Pherocon CM|trans-8,trans-10-Dodecadien-1-ol|trans-8,trans-10-Dodecadienol|76600-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1035288
ERPathway2016 ERPathway2016_1458 (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9 DTXSID1035288 ER Pathway Model, Antagonist Call Inactive Unitless CC=CC=CCCCCCCCO (8E,10E)-8,10-Dodecadien-1-ol 33956-49-9|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-8,10-Dodecadien-1-ol|(8E,10E)-Dodeca-8,10-dienol|8,10-Dodecadien-1-ol|8,10-Dodecadien-1-ol, (8E,10E)-|8,10-Dodecadien-1-ol, (E,E)-|8E,10E-Dodecadien-1-ol|BRN 1907300|Codlelure|Codlemone|EINECS 251-761-2|Feroflon SR 2|Feroflor SR 2|Pherocon CM|trans-8,trans-10-Dodecadien-1-ol|trans-8,trans-10-Dodecadienol|76600-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1035288
ARPathway2016 ARPathway2016_835 (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0 DTXSID0041567 1.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCC[C@@H](O)CC=C/CCCCCCCC(O)=O (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0|(9Z,12R)-12-Hydroxyoctadec-9-enoic acid|(9Z,12R)-12-Hydroxy-9-octadecensaeure|(cis,R)-12-hydroxyoctadec-9-enoic acid|(R-(Z))-12-Hydroxy-9-octadecenoic acid|(R)-12-Hydroxyoleic acid|(Z,R)-12-hydroxyoctadec-9-enoic acid|[R-(Z)]-12-Hydroxy-9-octadecenoic acid|12-D-Hydroxy-9-cis-octadecenoic acid|12-Hydroxy-cis-9-octadecenoic acid|12-Hydroxyoctadeca-9-enoic acid|12-hydroxyoleic acid|12-OH 9c-18:1|9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-|9-Octadecenoic acid, 12-hydroxy-, (cis)-|9-Octadecenoic acid, 12-hydroxy-, (R-(Z))-|9-Octadecenoic acid, 12-hydroxy-, (Z)-|9-Octadecenoic acid, 12-hydroxy-, [R-(Z)]-|Acide ricinoleique|acido ricinoleico|Castor oil acid|D-12-Hydroxyoleic acid|Edenor Ri 90|EINECS 205-470-2|Kyselina 12-hydroxy-9-oktadecenova|Kyselina ricinolova|l'Acide ricinoleique|Nouracid CS 80|NSC 281242|OCTADEC-9-ENOIC ACID, 12-HYDROXY-, [R-(Z)]|Oleic acid, 12-hydroxy-|Ricinic acid|Ricinoleic acid|Ricinolic acid|RICINOLSAEURE|Ricinolsaure|UNII-I2D0F69854|17026-54-9|25607-48-1|45260-83-1|8040-35-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041567
ARPathway2016 ARPathway2016_835 (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0 DTXSID0041567 1.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCC[C@@H](O)CC=C/CCCCCCCC(O)=O (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0|(9Z,12R)-12-Hydroxyoctadec-9-enoic acid|(9Z,12R)-12-Hydroxy-9-octadecensaeure|(cis,R)-12-hydroxyoctadec-9-enoic acid|(R-(Z))-12-Hydroxy-9-octadecenoic acid|(R)-12-Hydroxyoleic acid|(Z,R)-12-hydroxyoctadec-9-enoic acid|[R-(Z)]-12-Hydroxy-9-octadecenoic acid|12-D-Hydroxy-9-cis-octadecenoic acid|12-Hydroxy-cis-9-octadecenoic acid|12-Hydroxyoctadeca-9-enoic acid|12-hydroxyoleic acid|12-OH 9c-18:1|9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-|9-Octadecenoic acid, 12-hydroxy-, (cis)-|9-Octadecenoic acid, 12-hydroxy-, (R-(Z))-|9-Octadecenoic acid, 12-hydroxy-, (Z)-|9-Octadecenoic acid, 12-hydroxy-, [R-(Z)]-|Acide ricinoleique|acido ricinoleico|Castor oil acid|D-12-Hydroxyoleic acid|Edenor Ri 90|EINECS 205-470-2|Kyselina 12-hydroxy-9-oktadecenova|Kyselina ricinolova|l'Acide ricinoleique|Nouracid CS 80|NSC 281242|OCTADEC-9-ENOIC ACID, 12-HYDROXY-, [R-(Z)]|Oleic acid, 12-hydroxy-|Ricinic acid|Ricinoleic acid|Ricinolic acid|RICINOLSAEURE|Ricinolsaure|UNII-I2D0F69854|17026-54-9|25607-48-1|45260-83-1|8040-35-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041567
ARPathway2016 ARPathway2016_835 (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0 DTXSID0041567 1.0 A3 AR Pathway Model, Agonist Call Inactive Unitless CCCCCC[C@@H](O)CC=C/CCCCCCCC(O)=O (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0|(9Z,12R)-12-Hydroxyoctadec-9-enoic acid|(9Z,12R)-12-Hydroxy-9-octadecensaeure|(cis,R)-12-hydroxyoctadec-9-enoic acid|(R-(Z))-12-Hydroxy-9-octadecenoic acid|(R)-12-Hydroxyoleic acid|(Z,R)-12-hydroxyoctadec-9-enoic acid|[R-(Z)]-12-Hydroxy-9-octadecenoic acid|12-D-Hydroxy-9-cis-octadecenoic acid|12-Hydroxy-cis-9-octadecenoic acid|12-Hydroxyoctadeca-9-enoic acid|12-hydroxyoleic acid|12-OH 9c-18:1|9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-|9-Octadecenoic acid, 12-hydroxy-, (cis)-|9-Octadecenoic acid, 12-hydroxy-, (R-(Z))-|9-Octadecenoic acid, 12-hydroxy-, (Z)-|9-Octadecenoic acid, 12-hydroxy-, [R-(Z)]-|Acide ricinoleique|acido ricinoleico|Castor oil acid|D-12-Hydroxyoleic acid|Edenor Ri 90|EINECS 205-470-2|Kyselina 12-hydroxy-9-oktadecenova|Kyselina ricinolova|l'Acide ricinoleique|Nouracid CS 80|NSC 281242|OCTADEC-9-ENOIC ACID, 12-HYDROXY-, [R-(Z)]|Oleic acid, 12-hydroxy-|Ricinic acid|Ricinoleic acid|Ricinolic acid|RICINOLSAEURE|Ricinolsaure|UNII-I2D0F69854|17026-54-9|25607-48-1|45260-83-1|8040-35-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041567
ARPathway2016 ARPathway2016_835 (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0 DTXSID0041567 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCC[C@@H](O)CC=C/CCCCCCCC(O)=O (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0|(9Z,12R)-12-Hydroxyoctadec-9-enoic acid|(9Z,12R)-12-Hydroxy-9-octadecensaeure|(cis,R)-12-hydroxyoctadec-9-enoic acid|(R-(Z))-12-Hydroxy-9-octadecenoic acid|(R)-12-Hydroxyoleic acid|(Z,R)-12-hydroxyoctadec-9-enoic acid|[R-(Z)]-12-Hydroxy-9-octadecenoic acid|12-D-Hydroxy-9-cis-octadecenoic acid|12-Hydroxy-cis-9-octadecenoic acid|12-Hydroxyoctadeca-9-enoic acid|12-hydroxyoleic acid|12-OH 9c-18:1|9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-|9-Octadecenoic acid, 12-hydroxy-, (cis)-|9-Octadecenoic acid, 12-hydroxy-, (R-(Z))-|9-Octadecenoic acid, 12-hydroxy-, (Z)-|9-Octadecenoic acid, 12-hydroxy-, [R-(Z)]-|Acide ricinoleique|acido ricinoleico|Castor oil acid|D-12-Hydroxyoleic acid|Edenor Ri 90|EINECS 205-470-2|Kyselina 12-hydroxy-9-oktadecenova|Kyselina ricinolova|l'Acide ricinoleique|Nouracid CS 80|NSC 281242|OCTADEC-9-ENOIC ACID, 12-HYDROXY-, [R-(Z)]|Oleic acid, 12-hydroxy-|Ricinic acid|Ricinoleic acid|Ricinolic acid|RICINOLSAEURE|Ricinolsaure|UNII-I2D0F69854|17026-54-9|25607-48-1|45260-83-1|8040-35-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041567
ERPathway2016 ERPathway2016_114 (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0 DTXSID0041567 ER Pathway Model, Agonist AC50 25.8236903704424 uM CCCCCC[C@@H](O)CC=C/CCCCCCCC(O)=O (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0|(9Z,12R)-12-Hydroxyoctadec-9-enoic acid|(9Z,12R)-12-Hydroxy-9-octadecensaeure|(cis,R)-12-hydroxyoctadec-9-enoic acid|(R-(Z))-12-Hydroxy-9-octadecenoic acid|(R)-12-Hydroxyoleic acid|(Z,R)-12-hydroxyoctadec-9-enoic acid|[R-(Z)]-12-Hydroxy-9-octadecenoic acid|12-D-Hydroxy-9-cis-octadecenoic acid|12-Hydroxy-cis-9-octadecenoic acid|12-Hydroxyoctadeca-9-enoic acid|12-hydroxyoleic acid|12-OH 9c-18:1|9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-|9-Octadecenoic acid, 12-hydroxy-, (cis)-|9-Octadecenoic acid, 12-hydroxy-, (R-(Z))-|9-Octadecenoic acid, 12-hydroxy-, (Z)-|9-Octadecenoic acid, 12-hydroxy-, [R-(Z)]-|Acide ricinoleique|acido ricinoleico|Castor oil acid|D-12-Hydroxyoleic acid|Edenor Ri 90|EINECS 205-470-2|Kyselina 12-hydroxy-9-oktadecenova|Kyselina ricinolova|l'Acide ricinoleique|Nouracid CS 80|NSC 281242|OCTADEC-9-ENOIC ACID, 12-HYDROXY-, [R-(Z)]|Oleic acid, 12-hydroxy-|Ricinic acid|Ricinoleic acid|Ricinolic acid|RICINOLSAEURE|Ricinolsaure|UNII-I2D0F69854|17026-54-9|25607-48-1|45260-83-1|8040-35-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041567
ERPathway2016 ERPathway2016_114 (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0 DTXSID0041567 ER Pathway Model, Agonist ACC 27.8274850264228 uM CCCCCC[C@@H](O)CC=C/CCCCCCCC(O)=O (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0|(9Z,12R)-12-Hydroxyoctadec-9-enoic acid|(9Z,12R)-12-Hydroxy-9-octadecensaeure|(cis,R)-12-hydroxyoctadec-9-enoic acid|(R-(Z))-12-Hydroxy-9-octadecenoic acid|(R)-12-Hydroxyoleic acid|(Z,R)-12-hydroxyoctadec-9-enoic acid|[R-(Z)]-12-Hydroxy-9-octadecenoic acid|12-D-Hydroxy-9-cis-octadecenoic acid|12-Hydroxy-cis-9-octadecenoic acid|12-Hydroxyoctadeca-9-enoic acid|12-hydroxyoleic acid|12-OH 9c-18:1|9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-|9-Octadecenoic acid, 12-hydroxy-, (cis)-|9-Octadecenoic acid, 12-hydroxy-, (R-(Z))-|9-Octadecenoic acid, 12-hydroxy-, (Z)-|9-Octadecenoic acid, 12-hydroxy-, [R-(Z)]-|Acide ricinoleique|acido ricinoleico|Castor oil acid|D-12-Hydroxyoleic acid|Edenor Ri 90|EINECS 205-470-2|Kyselina 12-hydroxy-9-oktadecenova|Kyselina ricinolova|l'Acide ricinoleique|Nouracid CS 80|NSC 281242|OCTADEC-9-ENOIC ACID, 12-HYDROXY-, [R-(Z)]|Oleic acid, 12-hydroxy-|Ricinic acid|Ricinoleic acid|Ricinolic acid|RICINOLSAEURE|Ricinolsaure|UNII-I2D0F69854|17026-54-9|25607-48-1|45260-83-1|8040-35-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041567
ERPathway2016 ERPathway2016_114 (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0 DTXSID0041567 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCC[C@@H](O)CC=C/CCCCCCCC(O)=O (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0|(9Z,12R)-12-Hydroxyoctadec-9-enoic acid|(9Z,12R)-12-Hydroxy-9-octadecensaeure|(cis,R)-12-hydroxyoctadec-9-enoic acid|(R-(Z))-12-Hydroxy-9-octadecenoic acid|(R)-12-Hydroxyoleic acid|(Z,R)-12-hydroxyoctadec-9-enoic acid|[R-(Z)]-12-Hydroxy-9-octadecenoic acid|12-D-Hydroxy-9-cis-octadecenoic acid|12-Hydroxy-cis-9-octadecenoic acid|12-Hydroxyoctadeca-9-enoic acid|12-hydroxyoleic acid|12-OH 9c-18:1|9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-|9-Octadecenoic acid, 12-hydroxy-, (cis)-|9-Octadecenoic acid, 12-hydroxy-, (R-(Z))-|9-Octadecenoic acid, 12-hydroxy-, (Z)-|9-Octadecenoic acid, 12-hydroxy-, [R-(Z)]-|Acide ricinoleique|acido ricinoleico|Castor oil acid|D-12-Hydroxyoleic acid|Edenor Ri 90|EINECS 205-470-2|Kyselina 12-hydroxy-9-oktadecenova|Kyselina ricinolova|l'Acide ricinoleique|Nouracid CS 80|NSC 281242|OCTADEC-9-ENOIC ACID, 12-HYDROXY-, [R-(Z)]|Oleic acid, 12-hydroxy-|Ricinic acid|Ricinoleic acid|Ricinolic acid|RICINOLSAEURE|Ricinolsaure|UNII-I2D0F69854|17026-54-9|25607-48-1|45260-83-1|8040-35-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041567
ERPathway2016 ERPathway2016_114 (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0 DTXSID0041567 ER Pathway Model, Antagonist Model Score 0.0246 Unitless CCCCCC[C@@H](O)CC=C/CCCCCCCC(O)=O (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0|(9Z,12R)-12-Hydroxyoctadec-9-enoic acid|(9Z,12R)-12-Hydroxy-9-octadecensaeure|(cis,R)-12-hydroxyoctadec-9-enoic acid|(R-(Z))-12-Hydroxy-9-octadecenoic acid|(R)-12-Hydroxyoleic acid|(Z,R)-12-hydroxyoctadec-9-enoic acid|[R-(Z)]-12-Hydroxy-9-octadecenoic acid|12-D-Hydroxy-9-cis-octadecenoic acid|12-Hydroxy-cis-9-octadecenoic acid|12-Hydroxyoctadeca-9-enoic acid|12-hydroxyoleic acid|12-OH 9c-18:1|9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-|9-Octadecenoic acid, 12-hydroxy-, (cis)-|9-Octadecenoic acid, 12-hydroxy-, (R-(Z))-|9-Octadecenoic acid, 12-hydroxy-, (Z)-|9-Octadecenoic acid, 12-hydroxy-, [R-(Z)]-|Acide ricinoleique|acido ricinoleico|Castor oil acid|D-12-Hydroxyoleic acid|Edenor Ri 90|EINECS 205-470-2|Kyselina 12-hydroxy-9-oktadecenova|Kyselina ricinolova|l'Acide ricinoleique|Nouracid CS 80|NSC 281242|OCTADEC-9-ENOIC ACID, 12-HYDROXY-, [R-(Z)]|Oleic acid, 12-hydroxy-|Ricinic acid|Ricinoleic acid|Ricinolic acid|RICINOLSAEURE|Ricinolsaure|UNII-I2D0F69854|17026-54-9|25607-48-1|45260-83-1|8040-35-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041567
ERPathway2016 ERPathway2016_114 (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0 DTXSID0041567 ER Pathway Model, Agonist Call Active Unitless CCCCCC[C@@H](O)CC=C/CCCCCCCC(O)=O (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0|(9Z,12R)-12-Hydroxyoctadec-9-enoic acid|(9Z,12R)-12-Hydroxy-9-octadecensaeure|(cis,R)-12-hydroxyoctadec-9-enoic acid|(R-(Z))-12-Hydroxy-9-octadecenoic acid|(R)-12-Hydroxyoleic acid|(Z,R)-12-hydroxyoctadec-9-enoic acid|[R-(Z)]-12-Hydroxy-9-octadecenoic acid|12-D-Hydroxy-9-cis-octadecenoic acid|12-Hydroxy-cis-9-octadecenoic acid|12-Hydroxyoctadeca-9-enoic acid|12-hydroxyoleic acid|12-OH 9c-18:1|9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-|9-Octadecenoic acid, 12-hydroxy-, (cis)-|9-Octadecenoic acid, 12-hydroxy-, (R-(Z))-|9-Octadecenoic acid, 12-hydroxy-, (Z)-|9-Octadecenoic acid, 12-hydroxy-, [R-(Z)]-|Acide ricinoleique|acido ricinoleico|Castor oil acid|D-12-Hydroxyoleic acid|Edenor Ri 90|EINECS 205-470-2|Kyselina 12-hydroxy-9-oktadecenova|Kyselina ricinolova|l'Acide ricinoleique|Nouracid CS 80|NSC 281242|OCTADEC-9-ENOIC ACID, 12-HYDROXY-, [R-(Z)]|Oleic acid, 12-hydroxy-|Ricinic acid|Ricinoleic acid|Ricinolic acid|RICINOLSAEURE|Ricinolsaure|UNII-I2D0F69854|17026-54-9|25607-48-1|45260-83-1|8040-35-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041567
ERPathway2016 ERPathway2016_114 (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0 DTXSID0041567 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCC[C@@H](O)CC=C/CCCCCCCC(O)=O (9Z,12R)-12-Hydroxyoctadec-9-enoic acid 141-22-0|(9Z,12R)-12-Hydroxyoctadec-9-enoic acid|(9Z,12R)-12-Hydroxy-9-octadecensaeure|(cis,R)-12-hydroxyoctadec-9-enoic acid|(R-(Z))-12-Hydroxy-9-octadecenoic acid|(R)-12-Hydroxyoleic acid|(Z,R)-12-hydroxyoctadec-9-enoic acid|[R-(Z)]-12-Hydroxy-9-octadecenoic acid|12-D-Hydroxy-9-cis-octadecenoic acid|12-Hydroxy-cis-9-octadecenoic acid|12-Hydroxyoctadeca-9-enoic acid|12-hydroxyoleic acid|12-OH 9c-18:1|9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-|9-Octadecenoic acid, 12-hydroxy-, (cis)-|9-Octadecenoic acid, 12-hydroxy-, (R-(Z))-|9-Octadecenoic acid, 12-hydroxy-, (Z)-|9-Octadecenoic acid, 12-hydroxy-, [R-(Z)]-|Acide ricinoleique|acido ricinoleico|Castor oil acid|D-12-Hydroxyoleic acid|Edenor Ri 90|EINECS 205-470-2|Kyselina 12-hydroxy-9-oktadecenova|Kyselina ricinolova|l'Acide ricinoleique|Nouracid CS 80|NSC 281242|OCTADEC-9-ENOIC ACID, 12-HYDROXY-, [R-(Z)]|Oleic acid, 12-hydroxy-|Ricinic acid|Ricinoleic acid|Ricinolic acid|RICINOLSAEURE|Ricinolsaure|UNII-I2D0F69854|17026-54-9|25607-48-1|45260-83-1|8040-35-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041567
ARPathway2016 ARPathway2016_1480 (Dicyclopentadienyloxy)ethyl methacrylate 68169-03-9 DTXSID5041302 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=C)C(=O)OCCO*.C1CC2CC1C1CC=CC21 |c:17,lp:4:2,5:2,8:2,m:9:11.10| (Dicyclopentadienyloxy)ethyl methacrylate 68169-03-9|(Dicyclopentadienyloxy)ethyl methacrylate|2-(Dicyclopentenyloxy)ethyl methacrylate|2-[[3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5(or 6)-yl]oxy]ethyl methacrylate|2-Propenoic acid, 2-methyl-, 2-[[3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5(or 6)-yl]oxy]ethyl ester|3a,4,5,6,7,7a-Hexahydro-5(or 6)-(2-hydroxyethoxy)-4,7-methanoindene methacrylate|3a,4,5,6,7,7a-Hexahydro-5(or 6)-(2-hydroxyethoxy)-4,7-methanoindenemethacrylate|512M|Dicyclopentenyloxyethyl methacrylate|Ethylene glycol dicyclopentenyl ether methacrylate|FA 512M|FA 512MT|Fancryl 512M|Fancryl FA 512M|Fancryl FA 512MT|QM 57T|Rocryl QM 57|Rocryl QM 57T|142276-21-9|142276-22-0|150086-76-3|150086-77-4|204018-22-4|73821-73-5|80482-11-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041302
ARPathway2016 ARPathway2016_1480 (Dicyclopentadienyloxy)ethyl methacrylate 68169-03-9 DTXSID5041302 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=C)C(=O)OCCO*.C1CC2CC1C1CC=CC21 |c:17,lp:4:2,5:2,8:2,m:9:11.10| (Dicyclopentadienyloxy)ethyl methacrylate 68169-03-9|(Dicyclopentadienyloxy)ethyl methacrylate|2-(Dicyclopentenyloxy)ethyl methacrylate|2-[[3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5(or 6)-yl]oxy]ethyl methacrylate|2-Propenoic acid, 2-methyl-, 2-[[3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5(or 6)-yl]oxy]ethyl ester|3a,4,5,6,7,7a-Hexahydro-5(or 6)-(2-hydroxyethoxy)-4,7-methanoindene methacrylate|3a,4,5,6,7,7a-Hexahydro-5(or 6)-(2-hydroxyethoxy)-4,7-methanoindenemethacrylate|512M|Dicyclopentenyloxyethyl methacrylate|Ethylene glycol dicyclopentenyl ether methacrylate|FA 512M|FA 512MT|Fancryl 512M|Fancryl FA 512M|Fancryl FA 512MT|QM 57T|Rocryl QM 57|Rocryl QM 57T|142276-21-9|142276-22-0|150086-76-3|150086-77-4|204018-22-4|73821-73-5|80482-11-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041302
ARPathway2016 ARPathway2016_1480 (Dicyclopentadienyloxy)ethyl methacrylate 68169-03-9 DTXSID5041302 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=C)C(=O)OCCO*.C1CC2CC1C1CC=CC21 |c:17,lp:4:2,5:2,8:2,m:9:11.10| (Dicyclopentadienyloxy)ethyl methacrylate 68169-03-9|(Dicyclopentadienyloxy)ethyl methacrylate|2-(Dicyclopentenyloxy)ethyl methacrylate|2-[[3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5(or 6)-yl]oxy]ethyl methacrylate|2-Propenoic acid, 2-methyl-, 2-[[3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5(or 6)-yl]oxy]ethyl ester|3a,4,5,6,7,7a-Hexahydro-5(or 6)-(2-hydroxyethoxy)-4,7-methanoindene methacrylate|3a,4,5,6,7,7a-Hexahydro-5(or 6)-(2-hydroxyethoxy)-4,7-methanoindenemethacrylate|512M|Dicyclopentenyloxyethyl methacrylate|Ethylene glycol dicyclopentenyl ether methacrylate|FA 512M|FA 512MT|Fancryl 512M|Fancryl FA 512M|Fancryl FA 512MT|QM 57T|Rocryl QM 57|Rocryl QM 57T|142276-21-9|142276-22-0|150086-76-3|150086-77-4|204018-22-4|73821-73-5|80482-11-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041302
ARPathway2016 ARPathway2016_1480 (Dicyclopentadienyloxy)ethyl methacrylate 68169-03-9 DTXSID5041302 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=C)C(=O)OCCO*.C1CC2CC1C1CC=CC21 |c:17,lp:4:2,5:2,8:2,m:9:11.10| (Dicyclopentadienyloxy)ethyl methacrylate 68169-03-9|(Dicyclopentadienyloxy)ethyl methacrylate|2-(Dicyclopentenyloxy)ethyl methacrylate|2-[[3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5(or 6)-yl]oxy]ethyl methacrylate|2-Propenoic acid, 2-methyl-, 2-[[3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5(or 6)-yl]oxy]ethyl ester|3a,4,5,6,7,7a-Hexahydro-5(or 6)-(2-hydroxyethoxy)-4,7-methanoindene methacrylate|3a,4,5,6,7,7a-Hexahydro-5(or 6)-(2-hydroxyethoxy)-4,7-methanoindenemethacrylate|512M|Dicyclopentenyloxyethyl methacrylate|Ethylene glycol dicyclopentenyl ether methacrylate|FA 512M|FA 512MT|Fancryl 512M|Fancryl FA 512M|Fancryl FA 512MT|QM 57T|Rocryl QM 57|Rocryl QM 57T|142276-21-9|142276-22-0|150086-76-3|150086-77-4|204018-22-4|73821-73-5|80482-11-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041302
ERPathway2016 ERPathway2016_980 (Dicyclopentadienyloxy)ethyl methacrylate 68169-03-9 DTXSID5041302 ER Pathway Model, Agonist Model Score 0 Unitless CC(=C)C(=O)OCCO*.C1CC2CC1C1CC=CC21 |c:17,lp:4:2,5:2,8:2,m:9:11.10| (Dicyclopentadienyloxy)ethyl methacrylate 68169-03-9|(Dicyclopentadienyloxy)ethyl methacrylate|2-(Dicyclopentenyloxy)ethyl methacrylate|2-[[3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5(or 6)-yl]oxy]ethyl methacrylate|2-Propenoic acid, 2-methyl-, 2-[[3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5(or 6)-yl]oxy]ethyl ester|3a,4,5,6,7,7a-Hexahydro-5(or 6)-(2-hydroxyethoxy)-4,7-methanoindene methacrylate|3a,4,5,6,7,7a-Hexahydro-5(or 6)-(2-hydroxyethoxy)-4,7-methanoindenemethacrylate|512M|Dicyclopentenyloxyethyl methacrylate|Ethylene glycol dicyclopentenyl ether methacrylate|FA 512M|FA 512MT|Fancryl 512M|Fancryl FA 512M|Fancryl FA 512MT|QM 57T|Rocryl QM 57|Rocryl QM 57T|142276-21-9|142276-22-0|150086-76-3|150086-77-4|204018-22-4|73821-73-5|80482-11-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041302
ERPathway2016 ERPathway2016_980 (Dicyclopentadienyloxy)ethyl methacrylate 68169-03-9 DTXSID5041302 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=C)C(=O)OCCO*.C1CC2CC1C1CC=CC21 |c:17,lp:4:2,5:2,8:2,m:9:11.10| (Dicyclopentadienyloxy)ethyl methacrylate 68169-03-9|(Dicyclopentadienyloxy)ethyl methacrylate|2-(Dicyclopentenyloxy)ethyl methacrylate|2-[[3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5(or 6)-yl]oxy]ethyl methacrylate|2-Propenoic acid, 2-methyl-, 2-[[3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5(or 6)-yl]oxy]ethyl ester|3a,4,5,6,7,7a-Hexahydro-5(or 6)-(2-hydroxyethoxy)-4,7-methanoindene methacrylate|3a,4,5,6,7,7a-Hexahydro-5(or 6)-(2-hydroxyethoxy)-4,7-methanoindenemethacrylate|512M|Dicyclopentenyloxyethyl methacrylate|Ethylene glycol dicyclopentenyl ether methacrylate|FA 512M|FA 512MT|Fancryl 512M|Fancryl FA 512M|Fancryl FA 512MT|QM 57T|Rocryl QM 57|Rocryl QM 57T|142276-21-9|142276-22-0|150086-76-3|150086-77-4|204018-22-4|73821-73-5|80482-11-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041302
ERPathway2016 ERPathway2016_980 (Dicyclopentadienyloxy)ethyl methacrylate 68169-03-9 DTXSID5041302 ER Pathway Model, Agonist Call Inactive Unitless CC(=C)C(=O)OCCO*.C1CC2CC1C1CC=CC21 |c:17,lp:4:2,5:2,8:2,m:9:11.10| (Dicyclopentadienyloxy)ethyl methacrylate 68169-03-9|(Dicyclopentadienyloxy)ethyl methacrylate|2-(Dicyclopentenyloxy)ethyl methacrylate|2-[[3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5(or 6)-yl]oxy]ethyl methacrylate|2-Propenoic acid, 2-methyl-, 2-[[3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5(or 6)-yl]oxy]ethyl ester|3a,4,5,6,7,7a-Hexahydro-5(or 6)-(2-hydroxyethoxy)-4,7-methanoindene methacrylate|3a,4,5,6,7,7a-Hexahydro-5(or 6)-(2-hydroxyethoxy)-4,7-methanoindenemethacrylate|512M|Dicyclopentenyloxyethyl methacrylate|Ethylene glycol dicyclopentenyl ether methacrylate|FA 512M|FA 512MT|Fancryl 512M|Fancryl FA 512M|Fancryl FA 512MT|QM 57T|Rocryl QM 57|Rocryl QM 57T|142276-21-9|142276-22-0|150086-76-3|150086-77-4|204018-22-4|73821-73-5|80482-11-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041302
ERPathway2016 ERPathway2016_980 (Dicyclopentadienyloxy)ethyl methacrylate 68169-03-9 DTXSID5041302 ER Pathway Model, Antagonist Call Inactive Unitless CC(=C)C(=O)OCCO*.C1CC2CC1C1CC=CC21 |c:17,lp:4:2,5:2,8:2,m:9:11.10| (Dicyclopentadienyloxy)ethyl methacrylate 68169-03-9|(Dicyclopentadienyloxy)ethyl methacrylate|2-(Dicyclopentenyloxy)ethyl methacrylate|2-[[3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5(or 6)-yl]oxy]ethyl methacrylate|2-Propenoic acid, 2-methyl-, 2-[[3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5(or 6)-yl]oxy]ethyl ester|3a,4,5,6,7,7a-Hexahydro-5(or 6)-(2-hydroxyethoxy)-4,7-methanoindene methacrylate|3a,4,5,6,7,7a-Hexahydro-5(or 6)-(2-hydroxyethoxy)-4,7-methanoindenemethacrylate|512M|Dicyclopentenyloxyethyl methacrylate|Ethylene glycol dicyclopentenyl ether methacrylate|FA 512M|FA 512MT|Fancryl 512M|Fancryl FA 512M|Fancryl FA 512MT|QM 57T|Rocryl QM 57|Rocryl QM 57T|142276-21-9|142276-22-0|150086-76-3|150086-77-4|204018-22-4|73821-73-5|80482-11-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041302
ARPathway2016 ARPathway2016_900 (E)-1,2-Dichloroethylene 156-60-5 DTXSID7024031 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC=CCl (E)-1,2-Dichloroethylene 156-60-5|(E)-1,2-Dichloroethylene|(1E)-1,2-Dichloroethene|(E)-1,2-Dichloroethene|1,2-trans-Dichloroethene|1,2-trans-Dichloroethylene|4-01-00-00709|BRN 1420761|EINECS 205-860-2|Ethene, 1,2-dichloro-, (1E)-|Ethene, 1,2-dichloro-, (E)-|Ethylene, 1,2-dichloro-, (E)-|Ethylene, 1,2-dichloro-, trans-|NSC 60512|RCRA waste number U079|trans-1,2-Dichloroethene|trans-1,2-Dichloroethylene|trans-Acetylene dichloride|trans-Dichlorethylen|trans-dichloroethylene|trans-dicloroetileno|UNII-41799BI61U|Vertrel CCA|43695-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024031 https://doi.org/10.22427/NTP-DATA-DTXSID7024031
ARPathway2016 ARPathway2016_900 (E)-1,2-Dichloroethylene 156-60-5 DTXSID7024031 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC=CCl (E)-1,2-Dichloroethylene 156-60-5|(E)-1,2-Dichloroethylene|(1E)-1,2-Dichloroethene|(E)-1,2-Dichloroethene|1,2-trans-Dichloroethene|1,2-trans-Dichloroethylene|4-01-00-00709|BRN 1420761|EINECS 205-860-2|Ethene, 1,2-dichloro-, (1E)-|Ethene, 1,2-dichloro-, (E)-|Ethylene, 1,2-dichloro-, (E)-|Ethylene, 1,2-dichloro-, trans-|NSC 60512|RCRA waste number U079|trans-1,2-Dichloroethene|trans-1,2-Dichloroethylene|trans-Acetylene dichloride|trans-Dichlorethylen|trans-dichloroethylene|trans-dicloroetileno|UNII-41799BI61U|Vertrel CCA|43695-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024031 https://doi.org/10.22427/NTP-DATA-DTXSID7024031
ARPathway2016 ARPathway2016_900 (E)-1,2-Dichloroethylene 156-60-5 DTXSID7024031 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC=CCl (E)-1,2-Dichloroethylene 156-60-5|(E)-1,2-Dichloroethylene|(1E)-1,2-Dichloroethene|(E)-1,2-Dichloroethene|1,2-trans-Dichloroethene|1,2-trans-Dichloroethylene|4-01-00-00709|BRN 1420761|EINECS 205-860-2|Ethene, 1,2-dichloro-, (1E)-|Ethene, 1,2-dichloro-, (E)-|Ethylene, 1,2-dichloro-, (E)-|Ethylene, 1,2-dichloro-, trans-|NSC 60512|RCRA waste number U079|trans-1,2-Dichloroethene|trans-1,2-Dichloroethylene|trans-Acetylene dichloride|trans-Dichlorethylen|trans-dichloroethylene|trans-dicloroetileno|UNII-41799BI61U|Vertrel CCA|43695-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024031 https://doi.org/10.22427/NTP-DATA-DTXSID7024031
ARPathway2016 ARPathway2016_900 (E)-1,2-Dichloroethylene 156-60-5 DTXSID7024031 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC=CCl (E)-1,2-Dichloroethylene 156-60-5|(E)-1,2-Dichloroethylene|(1E)-1,2-Dichloroethene|(E)-1,2-Dichloroethene|1,2-trans-Dichloroethene|1,2-trans-Dichloroethylene|4-01-00-00709|BRN 1420761|EINECS 205-860-2|Ethene, 1,2-dichloro-, (1E)-|Ethene, 1,2-dichloro-, (E)-|Ethylene, 1,2-dichloro-, (E)-|Ethylene, 1,2-dichloro-, trans-|NSC 60512|RCRA waste number U079|trans-1,2-Dichloroethene|trans-1,2-Dichloroethylene|trans-Acetylene dichloride|trans-Dichlorethylen|trans-dichloroethylene|trans-dicloroetileno|UNII-41799BI61U|Vertrel CCA|43695-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024031 https://doi.org/10.22427/NTP-DATA-DTXSID7024031
ERPathway2016 ERPathway2016_1330 (E)-1,2-Dichloroethylene 156-60-5 DTXSID7024031 ER Pathway Model, Agonist Model Score 0 Unitless ClC=CCl (E)-1,2-Dichloroethylene 156-60-5|(E)-1,2-Dichloroethylene|(1E)-1,2-Dichloroethene|(E)-1,2-Dichloroethene|1,2-trans-Dichloroethene|1,2-trans-Dichloroethylene|4-01-00-00709|BRN 1420761|EINECS 205-860-2|Ethene, 1,2-dichloro-, (1E)-|Ethene, 1,2-dichloro-, (E)-|Ethylene, 1,2-dichloro-, (E)-|Ethylene, 1,2-dichloro-, trans-|NSC 60512|RCRA waste number U079|trans-1,2-Dichloroethene|trans-1,2-Dichloroethylene|trans-Acetylene dichloride|trans-Dichlorethylen|trans-dichloroethylene|trans-dicloroetileno|UNII-41799BI61U|Vertrel CCA|43695-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024031 https://doi.org/10.22427/NTP-DATA-DTXSID7024031
ERPathway2016 ERPathway2016_1330 (E)-1,2-Dichloroethylene 156-60-5 DTXSID7024031 ER Pathway Model, Antagonist Model Score 0 Unitless ClC=CCl (E)-1,2-Dichloroethylene 156-60-5|(E)-1,2-Dichloroethylene|(1E)-1,2-Dichloroethene|(E)-1,2-Dichloroethene|1,2-trans-Dichloroethene|1,2-trans-Dichloroethylene|4-01-00-00709|BRN 1420761|EINECS 205-860-2|Ethene, 1,2-dichloro-, (1E)-|Ethene, 1,2-dichloro-, (E)-|Ethylene, 1,2-dichloro-, (E)-|Ethylene, 1,2-dichloro-, trans-|NSC 60512|RCRA waste number U079|trans-1,2-Dichloroethene|trans-1,2-Dichloroethylene|trans-Acetylene dichloride|trans-Dichlorethylen|trans-dichloroethylene|trans-dicloroetileno|UNII-41799BI61U|Vertrel CCA|43695-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024031 https://doi.org/10.22427/NTP-DATA-DTXSID7024031
ERPathway2016 ERPathway2016_1330 (E)-1,2-Dichloroethylene 156-60-5 DTXSID7024031 ER Pathway Model, Agonist Call Inactive Unitless ClC=CCl (E)-1,2-Dichloroethylene 156-60-5|(E)-1,2-Dichloroethylene|(1E)-1,2-Dichloroethene|(E)-1,2-Dichloroethene|1,2-trans-Dichloroethene|1,2-trans-Dichloroethylene|4-01-00-00709|BRN 1420761|EINECS 205-860-2|Ethene, 1,2-dichloro-, (1E)-|Ethene, 1,2-dichloro-, (E)-|Ethylene, 1,2-dichloro-, (E)-|Ethylene, 1,2-dichloro-, trans-|NSC 60512|RCRA waste number U079|trans-1,2-Dichloroethene|trans-1,2-Dichloroethylene|trans-Acetylene dichloride|trans-Dichlorethylen|trans-dichloroethylene|trans-dicloroetileno|UNII-41799BI61U|Vertrel CCA|43695-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024031 https://doi.org/10.22427/NTP-DATA-DTXSID7024031
ERPathway2016 ERPathway2016_1330 (E)-1,2-Dichloroethylene 156-60-5 DTXSID7024031 ER Pathway Model, Antagonist Call Inactive Unitless ClC=CCl (E)-1,2-Dichloroethylene 156-60-5|(E)-1,2-Dichloroethylene|(1E)-1,2-Dichloroethene|(E)-1,2-Dichloroethene|1,2-trans-Dichloroethene|1,2-trans-Dichloroethylene|4-01-00-00709|BRN 1420761|EINECS 205-860-2|Ethene, 1,2-dichloro-, (1E)-|Ethene, 1,2-dichloro-, (E)-|Ethylene, 1,2-dichloro-, (E)-|Ethylene, 1,2-dichloro-, trans-|NSC 60512|RCRA waste number U079|trans-1,2-Dichloroethene|trans-1,2-Dichloroethylene|trans-Acetylene dichloride|trans-Dichlorethylen|trans-dichloroethylene|trans-dicloroetileno|UNII-41799BI61U|Vertrel CCA|43695-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024031 https://doi.org/10.22427/NTP-DATA-DTXSID7024031
ARPathway2016 ARPathway2016_1198 (E)-Anethole 4180-23-8 DTXSID9020087 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(C=CC)C=C1 (E)-Anethole 4180-23-8|(E)-Anethole|(E)-1-(4-Methoxyphenyl)propene|(E)-1-Methoxy-4-(1-propenyl)benzene|(E)-1-p-Methoxyphenylpropene|(E)-Anethol|(E)-anetol|(E)-p-Propenylanisole|1-(4-Methoxyphenyl)-1(3)-propene|1-(Methyloxy)-4-[(1E)-prop-1-en-1-yl]benzene|1-(p-Methoxyphenyl)-Propene|1-Methoxy-4-((1E)-1-propenyl)benzene|1-Methoxy-4-(1-propenyl)-(E)-Benzene|1-Methoxy-4-(1-propenyl)benzene, (E)-|1-Methoxy-4-(1-propenyl)benzene, 9CI|1-Methoxy-4-(1E)-1-propen-1-yl-Benzene|1-Methoxy-4-(1E)-1-propenyl-Benzene|1-Methoxy-4-(propen-1-yl)-Benzene|1-Methoxy-4-(propenyl)-Benzene|1-Methoxy-4-[(1E)-1-propenyl]benzene|1-Methoxy-4-[(1E)-prop-1-en-1-yl]benzene|1-methoxy-4-[(1Z)-prop-1-en-1-yl]benzene|1-Methoxy-4-propenylbenzene|1-p-Methoxyphenylpropene, trans-|4-Methoxy-1-propenylbenzene|4-Methoxypropenylbenzene|4-Propenylanisole|Anethole|Anethole (trans)|Anethole, trans|Anethole, USAN|Anise camphor|Anisole, p-propenyl-, (E)-|Anisole, p-propenyl-, (E)- (8CI)|Anistearoptene|Benzene, 1-methoxy-4-(1-propenyl)-, (E)-|Benzene, 1-methoxy-4-(1E)-1-propen-1-yl-|Benzene, |109957-71-3|57131-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020087
ARPathway2016 ARPathway2016_1198 (E)-Anethole 4180-23-8 DTXSID9020087 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(C=CC)C=C1 (E)-Anethole 4180-23-8|(E)-Anethole|(E)-1-(4-Methoxyphenyl)propene|(E)-1-Methoxy-4-(1-propenyl)benzene|(E)-1-p-Methoxyphenylpropene|(E)-Anethol|(E)-anetol|(E)-p-Propenylanisole|1-(4-Methoxyphenyl)-1(3)-propene|1-(Methyloxy)-4-[(1E)-prop-1-en-1-yl]benzene|1-(p-Methoxyphenyl)-Propene|1-Methoxy-4-((1E)-1-propenyl)benzene|1-Methoxy-4-(1-propenyl)-(E)-Benzene|1-Methoxy-4-(1-propenyl)benzene, (E)-|1-Methoxy-4-(1-propenyl)benzene, 9CI|1-Methoxy-4-(1E)-1-propen-1-yl-Benzene|1-Methoxy-4-(1E)-1-propenyl-Benzene|1-Methoxy-4-(propen-1-yl)-Benzene|1-Methoxy-4-(propenyl)-Benzene|1-Methoxy-4-[(1E)-1-propenyl]benzene|1-Methoxy-4-[(1E)-prop-1-en-1-yl]benzene|1-methoxy-4-[(1Z)-prop-1-en-1-yl]benzene|1-Methoxy-4-propenylbenzene|1-p-Methoxyphenylpropene, trans-|4-Methoxy-1-propenylbenzene|4-Methoxypropenylbenzene|4-Propenylanisole|Anethole|Anethole (trans)|Anethole, trans|Anethole, USAN|Anise camphor|Anisole, p-propenyl-, (E)-|Anisole, p-propenyl-, (E)- (8CI)|Anistearoptene|Benzene, 1-methoxy-4-(1-propenyl)-, (E)-|Benzene, 1-methoxy-4-(1E)-1-propen-1-yl-|Benzene, |109957-71-3|57131-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020087
ARPathway2016 ARPathway2016_1198 (E)-Anethole 4180-23-8 DTXSID9020087 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(C=CC)C=C1 (E)-Anethole 4180-23-8|(E)-Anethole|(E)-1-(4-Methoxyphenyl)propene|(E)-1-Methoxy-4-(1-propenyl)benzene|(E)-1-p-Methoxyphenylpropene|(E)-Anethol|(E)-anetol|(E)-p-Propenylanisole|1-(4-Methoxyphenyl)-1(3)-propene|1-(Methyloxy)-4-[(1E)-prop-1-en-1-yl]benzene|1-(p-Methoxyphenyl)-Propene|1-Methoxy-4-((1E)-1-propenyl)benzene|1-Methoxy-4-(1-propenyl)-(E)-Benzene|1-Methoxy-4-(1-propenyl)benzene, (E)-|1-Methoxy-4-(1-propenyl)benzene, 9CI|1-Methoxy-4-(1E)-1-propen-1-yl-Benzene|1-Methoxy-4-(1E)-1-propenyl-Benzene|1-Methoxy-4-(propen-1-yl)-Benzene|1-Methoxy-4-(propenyl)-Benzene|1-Methoxy-4-[(1E)-1-propenyl]benzene|1-Methoxy-4-[(1E)-prop-1-en-1-yl]benzene|1-methoxy-4-[(1Z)-prop-1-en-1-yl]benzene|1-Methoxy-4-propenylbenzene|1-p-Methoxyphenylpropene, trans-|4-Methoxy-1-propenylbenzene|4-Methoxypropenylbenzene|4-Propenylanisole|Anethole|Anethole (trans)|Anethole, trans|Anethole, USAN|Anise camphor|Anisole, p-propenyl-, (E)-|Anisole, p-propenyl-, (E)- (8CI)|Anistearoptene|Benzene, 1-methoxy-4-(1-propenyl)-, (E)-|Benzene, 1-methoxy-4-(1E)-1-propen-1-yl-|Benzene, |109957-71-3|57131-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020087
ARPathway2016 ARPathway2016_1198 (E)-Anethole 4180-23-8 DTXSID9020087 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(C=CC)C=C1 (E)-Anethole 4180-23-8|(E)-Anethole|(E)-1-(4-Methoxyphenyl)propene|(E)-1-Methoxy-4-(1-propenyl)benzene|(E)-1-p-Methoxyphenylpropene|(E)-Anethol|(E)-anetol|(E)-p-Propenylanisole|1-(4-Methoxyphenyl)-1(3)-propene|1-(Methyloxy)-4-[(1E)-prop-1-en-1-yl]benzene|1-(p-Methoxyphenyl)-Propene|1-Methoxy-4-((1E)-1-propenyl)benzene|1-Methoxy-4-(1-propenyl)-(E)-Benzene|1-Methoxy-4-(1-propenyl)benzene, (E)-|1-Methoxy-4-(1-propenyl)benzene, 9CI|1-Methoxy-4-(1E)-1-propen-1-yl-Benzene|1-Methoxy-4-(1E)-1-propenyl-Benzene|1-Methoxy-4-(propen-1-yl)-Benzene|1-Methoxy-4-(propenyl)-Benzene|1-Methoxy-4-[(1E)-1-propenyl]benzene|1-Methoxy-4-[(1E)-prop-1-en-1-yl]benzene|1-methoxy-4-[(1Z)-prop-1-en-1-yl]benzene|1-Methoxy-4-propenylbenzene|1-p-Methoxyphenylpropene, trans-|4-Methoxy-1-propenylbenzene|4-Methoxypropenylbenzene|4-Propenylanisole|Anethole|Anethole (trans)|Anethole, trans|Anethole, USAN|Anise camphor|Anisole, p-propenyl-, (E)-|Anisole, p-propenyl-, (E)- (8CI)|Anistearoptene|Benzene, 1-methoxy-4-(1-propenyl)-, (E)-|Benzene, 1-methoxy-4-(1E)-1-propen-1-yl-|Benzene, |109957-71-3|57131-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020087
ERPathway2016 ERPathway2016_1481 (E)-Anethole 4180-23-8 DTXSID9020087 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(C=CC)C=C1 (E)-Anethole 4180-23-8|(E)-Anethole|(E)-1-(4-Methoxyphenyl)propene|(E)-1-Methoxy-4-(1-propenyl)benzene|(E)-1-p-Methoxyphenylpropene|(E)-Anethol|(E)-anetol|(E)-p-Propenylanisole|1-(4-Methoxyphenyl)-1(3)-propene|1-(Methyloxy)-4-[(1E)-prop-1-en-1-yl]benzene|1-(p-Methoxyphenyl)-Propene|1-Methoxy-4-((1E)-1-propenyl)benzene|1-Methoxy-4-(1-propenyl)-(E)-Benzene|1-Methoxy-4-(1-propenyl)benzene, (E)-|1-Methoxy-4-(1-propenyl)benzene, 9CI|1-Methoxy-4-(1E)-1-propen-1-yl-Benzene|1-Methoxy-4-(1E)-1-propenyl-Benzene|1-Methoxy-4-(propen-1-yl)-Benzene|1-Methoxy-4-(propenyl)-Benzene|1-Methoxy-4-[(1E)-1-propenyl]benzene|1-Methoxy-4-[(1E)-prop-1-en-1-yl]benzene|1-methoxy-4-[(1Z)-prop-1-en-1-yl]benzene|1-Methoxy-4-propenylbenzene|1-p-Methoxyphenylpropene, trans-|4-Methoxy-1-propenylbenzene|4-Methoxypropenylbenzene|4-Propenylanisole|Anethole|Anethole (trans)|Anethole, trans|Anethole, USAN|Anise camphor|Anisole, p-propenyl-, (E)-|Anisole, p-propenyl-, (E)- (8CI)|Anistearoptene|Benzene, 1-methoxy-4-(1-propenyl)-, (E)-|Benzene, 1-methoxy-4-(1E)-1-propen-1-yl-|Benzene, |109957-71-3|57131-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020087
ERPathway2016 ERPathway2016_1481 (E)-Anethole 4180-23-8 DTXSID9020087 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(C=CC)C=C1 (E)-Anethole 4180-23-8|(E)-Anethole|(E)-1-(4-Methoxyphenyl)propene|(E)-1-Methoxy-4-(1-propenyl)benzene|(E)-1-p-Methoxyphenylpropene|(E)-Anethol|(E)-anetol|(E)-p-Propenylanisole|1-(4-Methoxyphenyl)-1(3)-propene|1-(Methyloxy)-4-[(1E)-prop-1-en-1-yl]benzene|1-(p-Methoxyphenyl)-Propene|1-Methoxy-4-((1E)-1-propenyl)benzene|1-Methoxy-4-(1-propenyl)-(E)-Benzene|1-Methoxy-4-(1-propenyl)benzene, (E)-|1-Methoxy-4-(1-propenyl)benzene, 9CI|1-Methoxy-4-(1E)-1-propen-1-yl-Benzene|1-Methoxy-4-(1E)-1-propenyl-Benzene|1-Methoxy-4-(propen-1-yl)-Benzene|1-Methoxy-4-(propenyl)-Benzene|1-Methoxy-4-[(1E)-1-propenyl]benzene|1-Methoxy-4-[(1E)-prop-1-en-1-yl]benzene|1-methoxy-4-[(1Z)-prop-1-en-1-yl]benzene|1-Methoxy-4-propenylbenzene|1-p-Methoxyphenylpropene, trans-|4-Methoxy-1-propenylbenzene|4-Methoxypropenylbenzene|4-Propenylanisole|Anethole|Anethole (trans)|Anethole, trans|Anethole, USAN|Anise camphor|Anisole, p-propenyl-, (E)-|Anisole, p-propenyl-, (E)- (8CI)|Anistearoptene|Benzene, 1-methoxy-4-(1-propenyl)-, (E)-|Benzene, 1-methoxy-4-(1E)-1-propen-1-yl-|Benzene, |109957-71-3|57131-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020087
ERPathway2016 ERPathway2016_1481 (E)-Anethole 4180-23-8 DTXSID9020087 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(C=CC)C=C1 (E)-Anethole 4180-23-8|(E)-Anethole|(E)-1-(4-Methoxyphenyl)propene|(E)-1-Methoxy-4-(1-propenyl)benzene|(E)-1-p-Methoxyphenylpropene|(E)-Anethol|(E)-anetol|(E)-p-Propenylanisole|1-(4-Methoxyphenyl)-1(3)-propene|1-(Methyloxy)-4-[(1E)-prop-1-en-1-yl]benzene|1-(p-Methoxyphenyl)-Propene|1-Methoxy-4-((1E)-1-propenyl)benzene|1-Methoxy-4-(1-propenyl)-(E)-Benzene|1-Methoxy-4-(1-propenyl)benzene, (E)-|1-Methoxy-4-(1-propenyl)benzene, 9CI|1-Methoxy-4-(1E)-1-propen-1-yl-Benzene|1-Methoxy-4-(1E)-1-propenyl-Benzene|1-Methoxy-4-(propen-1-yl)-Benzene|1-Methoxy-4-(propenyl)-Benzene|1-Methoxy-4-[(1E)-1-propenyl]benzene|1-Methoxy-4-[(1E)-prop-1-en-1-yl]benzene|1-methoxy-4-[(1Z)-prop-1-en-1-yl]benzene|1-Methoxy-4-propenylbenzene|1-p-Methoxyphenylpropene, trans-|4-Methoxy-1-propenylbenzene|4-Methoxypropenylbenzene|4-Propenylanisole|Anethole|Anethole (trans)|Anethole, trans|Anethole, USAN|Anise camphor|Anisole, p-propenyl-, (E)-|Anisole, p-propenyl-, (E)- (8CI)|Anistearoptene|Benzene, 1-methoxy-4-(1-propenyl)-, (E)-|Benzene, 1-methoxy-4-(1E)-1-propen-1-yl-|Benzene, |109957-71-3|57131-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020087
ERPathway2016 ERPathway2016_1481 (E)-Anethole 4180-23-8 DTXSID9020087 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(C=CC)C=C1 (E)-Anethole 4180-23-8|(E)-Anethole|(E)-1-(4-Methoxyphenyl)propene|(E)-1-Methoxy-4-(1-propenyl)benzene|(E)-1-p-Methoxyphenylpropene|(E)-Anethol|(E)-anetol|(E)-p-Propenylanisole|1-(4-Methoxyphenyl)-1(3)-propene|1-(Methyloxy)-4-[(1E)-prop-1-en-1-yl]benzene|1-(p-Methoxyphenyl)-Propene|1-Methoxy-4-((1E)-1-propenyl)benzene|1-Methoxy-4-(1-propenyl)-(E)-Benzene|1-Methoxy-4-(1-propenyl)benzene, (E)-|1-Methoxy-4-(1-propenyl)benzene, 9CI|1-Methoxy-4-(1E)-1-propen-1-yl-Benzene|1-Methoxy-4-(1E)-1-propenyl-Benzene|1-Methoxy-4-(propen-1-yl)-Benzene|1-Methoxy-4-(propenyl)-Benzene|1-Methoxy-4-[(1E)-1-propenyl]benzene|1-Methoxy-4-[(1E)-prop-1-en-1-yl]benzene|1-methoxy-4-[(1Z)-prop-1-en-1-yl]benzene|1-Methoxy-4-propenylbenzene|1-p-Methoxyphenylpropene, trans-|4-Methoxy-1-propenylbenzene|4-Methoxypropenylbenzene|4-Propenylanisole|Anethole|Anethole (trans)|Anethole, trans|Anethole, USAN|Anise camphor|Anisole, p-propenyl-, (E)-|Anisole, p-propenyl-, (E)- (8CI)|Anistearoptene|Benzene, 1-methoxy-4-(1-propenyl)-, (E)-|Benzene, 1-methoxy-4-(1E)-1-propen-1-yl-|Benzene, |109957-71-3|57131-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020087
ARPathway2016 ARPathway2016_683 (Methylcyclopentadienyl)tricarbonylmanganese 12108-13-3 DTXSID9027738 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cc1cccc1.[O]#C[Mn](C#[O])C#[O] (Methylcyclopentadienyl)tricarbonylmanganese 12108-13-3|(Methylcyclopentadienyl)tricarbonylmanganese|2-Methylcyclopentadienylmanganese tricarbonyl|Antiknock-33|Combustion improver -2|EINECS 235-166-5|Manganese, (methylcyclopentadienyl)tricarbonyl-|Manganese, tricarbonyl(2-methylcyclopentadienyl)-|Manganese, tricarbonyl[(1,2,3,4,5-.eta.)-1-methyl-2,4-cyclopentadien-1-yl]-|Methylcyklopentadientrikarbonylmanganium|Methylcymantrene|MMT|NSC 22316|pi-(Methylcyclopentadienyl)manganese tricarbonyl|Pi-methylcyclopentadienylmanganese tricarbonyl|Tricarbonyl(2-methylcyclopentadienyl)manganese|Tricarbonyl(eta(5)-methylcyclopentadienyl)manganese|41536-42-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027738 https://doi.org/10.22427/NTP-DATA-DTXSID9027738
ARPathway2016 ARPathway2016_683 (Methylcyclopentadienyl)tricarbonylmanganese 12108-13-3 DTXSID9027738 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cc1cccc1.[O]#C[Mn](C#[O])C#[O] (Methylcyclopentadienyl)tricarbonylmanganese 12108-13-3|(Methylcyclopentadienyl)tricarbonylmanganese|2-Methylcyclopentadienylmanganese tricarbonyl|Antiknock-33|Combustion improver -2|EINECS 235-166-5|Manganese, (methylcyclopentadienyl)tricarbonyl-|Manganese, tricarbonyl(2-methylcyclopentadienyl)-|Manganese, tricarbonyl[(1,2,3,4,5-.eta.)-1-methyl-2,4-cyclopentadien-1-yl]-|Methylcyklopentadientrikarbonylmanganium|Methylcymantrene|MMT|NSC 22316|pi-(Methylcyclopentadienyl)manganese tricarbonyl|Pi-methylcyclopentadienylmanganese tricarbonyl|Tricarbonyl(2-methylcyclopentadienyl)manganese|Tricarbonyl(eta(5)-methylcyclopentadienyl)manganese|41536-42-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027738 https://doi.org/10.22427/NTP-DATA-DTXSID9027738
ARPathway2016 ARPathway2016_683 (Methylcyclopentadienyl)tricarbonylmanganese 12108-13-3 DTXSID9027738 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cc1cccc1.[O]#C[Mn](C#[O])C#[O] (Methylcyclopentadienyl)tricarbonylmanganese 12108-13-3|(Methylcyclopentadienyl)tricarbonylmanganese|2-Methylcyclopentadienylmanganese tricarbonyl|Antiknock-33|Combustion improver -2|EINECS 235-166-5|Manganese, (methylcyclopentadienyl)tricarbonyl-|Manganese, tricarbonyl(2-methylcyclopentadienyl)-|Manganese, tricarbonyl[(1,2,3,4,5-.eta.)-1-methyl-2,4-cyclopentadien-1-yl]-|Methylcyklopentadientrikarbonylmanganium|Methylcymantrene|MMT|NSC 22316|pi-(Methylcyclopentadienyl)manganese tricarbonyl|Pi-methylcyclopentadienylmanganese tricarbonyl|Tricarbonyl(2-methylcyclopentadienyl)manganese|Tricarbonyl(eta(5)-methylcyclopentadienyl)manganese|41536-42-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027738 https://doi.org/10.22427/NTP-DATA-DTXSID9027738
ARPathway2016 ARPathway2016_683 (Methylcyclopentadienyl)tricarbonylmanganese 12108-13-3 DTXSID9027738 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cc1cccc1.[O]#C[Mn](C#[O])C#[O] (Methylcyclopentadienyl)tricarbonylmanganese 12108-13-3|(Methylcyclopentadienyl)tricarbonylmanganese|2-Methylcyclopentadienylmanganese tricarbonyl|Antiknock-33|Combustion improver -2|EINECS 235-166-5|Manganese, (methylcyclopentadienyl)tricarbonyl-|Manganese, tricarbonyl(2-methylcyclopentadienyl)-|Manganese, tricarbonyl[(1,2,3,4,5-.eta.)-1-methyl-2,4-cyclopentadien-1-yl]-|Methylcyklopentadientrikarbonylmanganium|Methylcymantrene|MMT|NSC 22316|pi-(Methylcyclopentadienyl)manganese tricarbonyl|Pi-methylcyclopentadienylmanganese tricarbonyl|Tricarbonyl(2-methylcyclopentadienyl)manganese|Tricarbonyl(eta(5)-methylcyclopentadienyl)manganese|41536-42-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027738 https://doi.org/10.22427/NTP-DATA-DTXSID9027738
ERPathway2016 ERPathway2016_1214 (Methylcyclopentadienyl)tricarbonylmanganese 12108-13-3 DTXSID9027738 ER Pathway Model, Agonist Model Score 0 Unitless Cc1cccc1.[O]#C[Mn](C#[O])C#[O] (Methylcyclopentadienyl)tricarbonylmanganese 12108-13-3|(Methylcyclopentadienyl)tricarbonylmanganese|2-Methylcyclopentadienylmanganese tricarbonyl|Antiknock-33|Combustion improver -2|EINECS 235-166-5|Manganese, (methylcyclopentadienyl)tricarbonyl-|Manganese, tricarbonyl(2-methylcyclopentadienyl)-|Manganese, tricarbonyl[(1,2,3,4,5-.eta.)-1-methyl-2,4-cyclopentadien-1-yl]-|Methylcyklopentadientrikarbonylmanganium|Methylcymantrene|MMT|NSC 22316|pi-(Methylcyclopentadienyl)manganese tricarbonyl|Pi-methylcyclopentadienylmanganese tricarbonyl|Tricarbonyl(2-methylcyclopentadienyl)manganese|Tricarbonyl(eta(5)-methylcyclopentadienyl)manganese|41536-42-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027738 https://doi.org/10.22427/NTP-DATA-DTXSID9027738
ERPathway2016 ERPathway2016_1214 (Methylcyclopentadienyl)tricarbonylmanganese 12108-13-3 DTXSID9027738 ER Pathway Model, Antagonist Model Score 0 Unitless Cc1cccc1.[O]#C[Mn](C#[O])C#[O] (Methylcyclopentadienyl)tricarbonylmanganese 12108-13-3|(Methylcyclopentadienyl)tricarbonylmanganese|2-Methylcyclopentadienylmanganese tricarbonyl|Antiknock-33|Combustion improver -2|EINECS 235-166-5|Manganese, (methylcyclopentadienyl)tricarbonyl-|Manganese, tricarbonyl(2-methylcyclopentadienyl)-|Manganese, tricarbonyl[(1,2,3,4,5-.eta.)-1-methyl-2,4-cyclopentadien-1-yl]-|Methylcyklopentadientrikarbonylmanganium|Methylcymantrene|MMT|NSC 22316|pi-(Methylcyclopentadienyl)manganese tricarbonyl|Pi-methylcyclopentadienylmanganese tricarbonyl|Tricarbonyl(2-methylcyclopentadienyl)manganese|Tricarbonyl(eta(5)-methylcyclopentadienyl)manganese|41536-42-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027738 https://doi.org/10.22427/NTP-DATA-DTXSID9027738
ERPathway2016 ERPathway2016_1214 (Methylcyclopentadienyl)tricarbonylmanganese 12108-13-3 DTXSID9027738 ER Pathway Model, Agonist Call Inactive Unitless Cc1cccc1.[O]#C[Mn](C#[O])C#[O] (Methylcyclopentadienyl)tricarbonylmanganese 12108-13-3|(Methylcyclopentadienyl)tricarbonylmanganese|2-Methylcyclopentadienylmanganese tricarbonyl|Antiknock-33|Combustion improver -2|EINECS 235-166-5|Manganese, (methylcyclopentadienyl)tricarbonyl-|Manganese, tricarbonyl(2-methylcyclopentadienyl)-|Manganese, tricarbonyl[(1,2,3,4,5-.eta.)-1-methyl-2,4-cyclopentadien-1-yl]-|Methylcyklopentadientrikarbonylmanganium|Methylcymantrene|MMT|NSC 22316|pi-(Methylcyclopentadienyl)manganese tricarbonyl|Pi-methylcyclopentadienylmanganese tricarbonyl|Tricarbonyl(2-methylcyclopentadienyl)manganese|Tricarbonyl(eta(5)-methylcyclopentadienyl)manganese|41536-42-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027738 https://doi.org/10.22427/NTP-DATA-DTXSID9027738
ERPathway2016 ERPathway2016_1214 (Methylcyclopentadienyl)tricarbonylmanganese 12108-13-3 DTXSID9027738 ER Pathway Model, Antagonist Call Inactive Unitless Cc1cccc1.[O]#C[Mn](C#[O])C#[O] (Methylcyclopentadienyl)tricarbonylmanganese 12108-13-3|(Methylcyclopentadienyl)tricarbonylmanganese|2-Methylcyclopentadienylmanganese tricarbonyl|Antiknock-33|Combustion improver -2|EINECS 235-166-5|Manganese, (methylcyclopentadienyl)tricarbonyl-|Manganese, tricarbonyl(2-methylcyclopentadienyl)-|Manganese, tricarbonyl[(1,2,3,4,5-.eta.)-1-methyl-2,4-cyclopentadien-1-yl]-|Methylcyklopentadientrikarbonylmanganium|Methylcymantrene|MMT|NSC 22316|pi-(Methylcyclopentadienyl)manganese tricarbonyl|Pi-methylcyclopentadienylmanganese tricarbonyl|Tricarbonyl(2-methylcyclopentadienyl)manganese|Tricarbonyl(eta(5)-methylcyclopentadienyl)manganese|41536-42-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027738 https://doi.org/10.22427/NTP-DATA-DTXSID9027738
ARPathway2016 ARPathway2016_1227 (R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide 478149-53-0 DTXSID6047284 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless O=C(N[C@H]1CN2CCC1CC2)C1=CC2=C(OC=C2)C=N1 (R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide 478149-53-0|(R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide|(R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide|Furo(2,3-C)pyridine-5-carboxamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-|N-(3R)-1-Azabicyclo[2.2.2]oct-3-ylfuro[2,3-c]pyridine-5-carboxamide|PHA 543613|PHA-00543613|PHA-543,613|892497-69-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047284
ARPathway2016 ARPathway2016_1227 (R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide 478149-53-0 DTXSID6047284 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless O=C(N[C@H]1CN2CCC1CC2)C1=CC2=C(OC=C2)C=N1 (R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide 478149-53-0|(R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide|(R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide|Furo(2,3-C)pyridine-5-carboxamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-|N-(3R)-1-Azabicyclo[2.2.2]oct-3-ylfuro[2,3-c]pyridine-5-carboxamide|PHA 543613|PHA-00543613|PHA-543,613|892497-69-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047284
ARPathway2016 ARPathway2016_1227 (R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide 478149-53-0 DTXSID6047284 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless O=C(N[C@H]1CN2CCC1CC2)C1=CC2=C(OC=C2)C=N1 (R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide 478149-53-0|(R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide|(R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide|Furo(2,3-C)pyridine-5-carboxamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-|N-(3R)-1-Azabicyclo[2.2.2]oct-3-ylfuro[2,3-c]pyridine-5-carboxamide|PHA 543613|PHA-00543613|PHA-543,613|892497-69-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047284
ARPathway2016 ARPathway2016_1227 (R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide 478149-53-0 DTXSID6047284 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless O=C(N[C@H]1CN2CCC1CC2)C1=CC2=C(OC=C2)C=N1 (R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide 478149-53-0|(R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide|(R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide|Furo(2,3-C)pyridine-5-carboxamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-|N-(3R)-1-Azabicyclo[2.2.2]oct-3-ylfuro[2,3-c]pyridine-5-carboxamide|PHA 543613|PHA-00543613|PHA-543,613|892497-69-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047284
ERPathway2016 ERPathway2016_1492 (R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide 478149-53-0 DTXSID6047284 ER Pathway Model, Agonist Model Score 0 Unitless O=C(N[C@H]1CN2CCC1CC2)C1=CC2=C(OC=C2)C=N1 (R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide 478149-53-0|(R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide|(R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide|Furo(2,3-C)pyridine-5-carboxamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-|N-(3R)-1-Azabicyclo[2.2.2]oct-3-ylfuro[2,3-c]pyridine-5-carboxamide|PHA 543613|PHA-00543613|PHA-543,613|892497-69-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047284
ERPathway2016 ERPathway2016_1492 (R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide 478149-53-0 DTXSID6047284 ER Pathway Model, Antagonist Model Score 0 Unitless O=C(N[C@H]1CN2CCC1CC2)C1=CC2=C(OC=C2)C=N1 (R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide 478149-53-0|(R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide|(R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide|Furo(2,3-C)pyridine-5-carboxamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-|N-(3R)-1-Azabicyclo[2.2.2]oct-3-ylfuro[2,3-c]pyridine-5-carboxamide|PHA 543613|PHA-00543613|PHA-543,613|892497-69-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047284
ERPathway2016 ERPathway2016_1492 (R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide 478149-53-0 DTXSID6047284 ER Pathway Model, Agonist Call Inactive Unitless O=C(N[C@H]1CN2CCC1CC2)C1=CC2=C(OC=C2)C=N1 (R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide 478149-53-0|(R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide|(R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide|Furo(2,3-C)pyridine-5-carboxamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-|N-(3R)-1-Azabicyclo[2.2.2]oct-3-ylfuro[2,3-c]pyridine-5-carboxamide|PHA 543613|PHA-00543613|PHA-543,613|892497-69-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047284
ERPathway2016 ERPathway2016_1492 (R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide 478149-53-0 DTXSID6047284 ER Pathway Model, Antagonist Call Inactive Unitless O=C(N[C@H]1CN2CCC1CC2)C1=CC2=C(OC=C2)C=N1 (R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide 478149-53-0|(R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide|(R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide|Furo(2,3-C)pyridine-5-carboxamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-|N-(3R)-1-Azabicyclo[2.2.2]oct-3-ylfuro[2,3-c]pyridine-5-carboxamide|PHA 543613|PHA-00543613|PHA-543,613|892497-69-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047284
ARPathway2016 ARPathway2016_1265 Fenvalerate 51630-58-1 DTXSID101017940 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C(C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 Fenvalerate 51630-58-1|Fenvalerate|(RS)-a-Cyano-3-phenoxybenzyl (RS)-2-(4-chlorophenyl)-3-methylbutyrate|4-Chloro-a-(1-methylethyl)benzeneacetic acid cyano(3-phenoxyphenyl)methyl ester|Agrofen|AI3-29235|Belmark|Benzeneacetic acid, 4- chloro- alpha- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|Benzeneacetic acid, 4- chloro- a- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|BRN 2025982|Caswell No. 077A|CCRIS 311|cyano (3-phenoxybenzyl)-2-(4-chlorophenyl)-3-methylbutyrate|cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate|Cyano(3-phenoxyphenyl)methyl 4-chloro-a-(1-methylethyl)benzeneacetate|DPX-32293|EC No.: 257-326-3|EINECS No.: 257-326-3|Gold crest tribute|HSDB 6640|OMS 2000|PHENYLACETATE, 4-CHLORO-a-(1-METHYLETHYL)-, CYANO(3-PHENOXYPHENYL)METHYL|SCS|SD 43775|Sumibac|Sumicidin|Sumifleece|Sumifly|Sumipower|Sumitick|Sumkidin|Tribute|Tribute (insecticide)|a-cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyrate|a-Cyano-3-phenoxybenzyl 2-(4-chlorophenyl)isovalerate|a-|131641-62-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID101017940
ARPathway2016 ARPathway2016_1265 Fenvalerate 51630-58-1 DTXSID101017940 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C(C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 Fenvalerate 51630-58-1|Fenvalerate|(RS)-a-Cyano-3-phenoxybenzyl (RS)-2-(4-chlorophenyl)-3-methylbutyrate|4-Chloro-a-(1-methylethyl)benzeneacetic acid cyano(3-phenoxyphenyl)methyl ester|Agrofen|AI3-29235|Belmark|Benzeneacetic acid, 4- chloro- alpha- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|Benzeneacetic acid, 4- chloro- a- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|BRN 2025982|Caswell No. 077A|CCRIS 311|cyano (3-phenoxybenzyl)-2-(4-chlorophenyl)-3-methylbutyrate|cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate|Cyano(3-phenoxyphenyl)methyl 4-chloro-a-(1-methylethyl)benzeneacetate|DPX-32293|EC No.: 257-326-3|EINECS No.: 257-326-3|Gold crest tribute|HSDB 6640|OMS 2000|PHENYLACETATE, 4-CHLORO-a-(1-METHYLETHYL)-, CYANO(3-PHENOXYPHENYL)METHYL|SCS|SD 43775|Sumibac|Sumicidin|Sumifleece|Sumifly|Sumipower|Sumitick|Sumkidin|Tribute|Tribute (insecticide)|a-cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyrate|a-Cyano-3-phenoxybenzyl 2-(4-chlorophenyl)isovalerate|a-|131641-62-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID101017940
ARPathway2016 ARPathway2016_1265 Fenvalerate 51630-58-1 DTXSID101017940 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C(C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 Fenvalerate 51630-58-1|Fenvalerate|(RS)-a-Cyano-3-phenoxybenzyl (RS)-2-(4-chlorophenyl)-3-methylbutyrate|4-Chloro-a-(1-methylethyl)benzeneacetic acid cyano(3-phenoxyphenyl)methyl ester|Agrofen|AI3-29235|Belmark|Benzeneacetic acid, 4- chloro- alpha- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|Benzeneacetic acid, 4- chloro- a- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|BRN 2025982|Caswell No. 077A|CCRIS 311|cyano (3-phenoxybenzyl)-2-(4-chlorophenyl)-3-methylbutyrate|cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate|Cyano(3-phenoxyphenyl)methyl 4-chloro-a-(1-methylethyl)benzeneacetate|DPX-32293|EC No.: 257-326-3|EINECS No.: 257-326-3|Gold crest tribute|HSDB 6640|OMS 2000|PHENYLACETATE, 4-CHLORO-a-(1-METHYLETHYL)-, CYANO(3-PHENOXYPHENYL)METHYL|SCS|SD 43775|Sumibac|Sumicidin|Sumifleece|Sumifly|Sumipower|Sumitick|Sumkidin|Tribute|Tribute (insecticide)|a-cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyrate|a-Cyano-3-phenoxybenzyl 2-(4-chlorophenyl)isovalerate|a-|131641-62-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID101017940
ARPathway2016 ARPathway2016_1265 Fenvalerate 51630-58-1 DTXSID101017940 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C(C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 Fenvalerate 51630-58-1|Fenvalerate|(RS)-a-Cyano-3-phenoxybenzyl (RS)-2-(4-chlorophenyl)-3-methylbutyrate|4-Chloro-a-(1-methylethyl)benzeneacetic acid cyano(3-phenoxyphenyl)methyl ester|Agrofen|AI3-29235|Belmark|Benzeneacetic acid, 4- chloro- alpha- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|Benzeneacetic acid, 4- chloro- a- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|BRN 2025982|Caswell No. 077A|CCRIS 311|cyano (3-phenoxybenzyl)-2-(4-chlorophenyl)-3-methylbutyrate|cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate|Cyano(3-phenoxyphenyl)methyl 4-chloro-a-(1-methylethyl)benzeneacetate|DPX-32293|EC No.: 257-326-3|EINECS No.: 257-326-3|Gold crest tribute|HSDB 6640|OMS 2000|PHENYLACETATE, 4-CHLORO-a-(1-METHYLETHYL)-, CYANO(3-PHENOXYPHENYL)METHYL|SCS|SD 43775|Sumibac|Sumicidin|Sumifleece|Sumifly|Sumipower|Sumitick|Sumkidin|Tribute|Tribute (insecticide)|a-cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyrate|a-Cyano-3-phenoxybenzyl 2-(4-chlorophenyl)isovalerate|a-|131641-62-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID101017940
ERPathway2016 ERPathway2016_250 (rel)-Enterolactone 78473-71-9 DTXSID601353537 ER Pathway Model, Antagonist AC50 46.9645174749936 uM OC1=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(O)=CC=C2)=CC=C1 (rel)-Enterolactone 78473-71-9|(rel)-Enterolactone|Enterolactone https://comptox.epa.gov/dashboard/chemical/details/DTXSID601353537
ERPathway2016 ERPathway2016_250 (rel)-Enterolactone 78473-71-9 DTXSID601353537 ER Pathway Model, Antagonist ACC 38.9807676825651 uM OC1=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(O)=CC=C2)=CC=C1 (rel)-Enterolactone 78473-71-9|(rel)-Enterolactone|Enterolactone https://comptox.epa.gov/dashboard/chemical/details/DTXSID601353537
ERPathway2016 ERPathway2016_250 (rel)-Enterolactone 78473-71-9 DTXSID601353537 ER Pathway Model, Agonist Model Score 0.0866 Unitless OC1=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(O)=CC=C2)=CC=C1 (rel)-Enterolactone 78473-71-9|(rel)-Enterolactone|Enterolactone https://comptox.epa.gov/dashboard/chemical/details/DTXSID601353537
ERPathway2016 ERPathway2016_250 (rel)-Enterolactone 78473-71-9 DTXSID601353537 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(O)=CC=C2)=CC=C1 (rel)-Enterolactone 78473-71-9|(rel)-Enterolactone|Enterolactone https://comptox.epa.gov/dashboard/chemical/details/DTXSID601353537
ERPathway2016 ERPathway2016_250 (rel)-Enterolactone 78473-71-9 DTXSID601353537 ER Pathway Model, Agonist Call Inactive Unitless OC1=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(O)=CC=C2)=CC=C1 (rel)-Enterolactone 78473-71-9|(rel)-Enterolactone|Enterolactone https://comptox.epa.gov/dashboard/chemical/details/DTXSID601353537
ERPathway2016 ERPathway2016_250 (rel)-Enterolactone 78473-71-9 DTXSID601353537 ER Pathway Model, Antagonist Call Active Unitless OC1=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(O)=CC=C2)=CC=C1 (rel)-Enterolactone 78473-71-9|(rel)-Enterolactone|Enterolactone https://comptox.epa.gov/dashboard/chemical/details/DTXSID601353537
ARPathway2016 ARPathway2016_1526 (S)-(-)-beta-Citronellol 7540-51-4 DTXSID1041550 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless C[C@H](CCO)CCC=C(C)C (S)-(-)-beta-Citronellol 7540-51-4|(S)-(-)-beta-Citronellol|(-)-3,7-Dimethyloct-6-en-1-ol|(-)-beta-Citronellol|(-)-Citronellol|(3S)-3,7-Dimethyloct-6-en-1-ol|(3S)-Citronellol|(S)-(-)-Citronellol|(S)-3,7-dimethyl-6-octen-1-ol|6-Octen-1-ol, 3,7-dimethyl-, (3S)-|EINECS 231-415-7|l-Citronellol|UNII-8RSY5Y5658 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041550
ARPathway2016 ARPathway2016_1526 (S)-(-)-beta-Citronellol 7540-51-4 DTXSID1041550 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless C[C@H](CCO)CCC=C(C)C (S)-(-)-beta-Citronellol 7540-51-4|(S)-(-)-beta-Citronellol|(-)-3,7-Dimethyloct-6-en-1-ol|(-)-beta-Citronellol|(-)-Citronellol|(3S)-3,7-Dimethyloct-6-en-1-ol|(3S)-Citronellol|(S)-(-)-Citronellol|(S)-3,7-dimethyl-6-octen-1-ol|6-Octen-1-ol, 3,7-dimethyl-, (3S)-|EINECS 231-415-7|l-Citronellol|UNII-8RSY5Y5658 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041550
ARPathway2016 ARPathway2016_1526 (S)-(-)-beta-Citronellol 7540-51-4 DTXSID1041550 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless C[C@H](CCO)CCC=C(C)C (S)-(-)-beta-Citronellol 7540-51-4|(S)-(-)-beta-Citronellol|(-)-3,7-Dimethyloct-6-en-1-ol|(-)-beta-Citronellol|(-)-Citronellol|(3S)-3,7-Dimethyloct-6-en-1-ol|(3S)-Citronellol|(S)-(-)-Citronellol|(S)-3,7-dimethyl-6-octen-1-ol|6-Octen-1-ol, 3,7-dimethyl-, (3S)-|EINECS 231-415-7|l-Citronellol|UNII-8RSY5Y5658 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041550
ARPathway2016 ARPathway2016_1526 (S)-(-)-beta-Citronellol 7540-51-4 DTXSID1041550 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless C[C@H](CCO)CCC=C(C)C (S)-(-)-beta-Citronellol 7540-51-4|(S)-(-)-beta-Citronellol|(-)-3,7-Dimethyloct-6-en-1-ol|(-)-beta-Citronellol|(-)-Citronellol|(3S)-3,7-Dimethyloct-6-en-1-ol|(3S)-Citronellol|(S)-(-)-Citronellol|(S)-3,7-dimethyl-6-octen-1-ol|6-Octen-1-ol, 3,7-dimethyl-, (3S)-|EINECS 231-415-7|l-Citronellol|UNII-8RSY5Y5658 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041550
ERPathway2016 ERPathway2016_1023 (S)-(-)-beta-Citronellol 7540-51-4 DTXSID1041550 ER Pathway Model, Agonist Model Score 0 Unitless C[C@H](CCO)CCC=C(C)C (S)-(-)-beta-Citronellol 7540-51-4|(S)-(-)-beta-Citronellol|(-)-3,7-Dimethyloct-6-en-1-ol|(-)-beta-Citronellol|(-)-Citronellol|(3S)-3,7-Dimethyloct-6-en-1-ol|(3S)-Citronellol|(S)-(-)-Citronellol|(S)-3,7-dimethyl-6-octen-1-ol|6-Octen-1-ol, 3,7-dimethyl-, (3S)-|EINECS 231-415-7|l-Citronellol|UNII-8RSY5Y5658 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041550
ERPathway2016 ERPathway2016_1023 (S)-(-)-beta-Citronellol 7540-51-4 DTXSID1041550 ER Pathway Model, Antagonist Model Score 0 Unitless C[C@H](CCO)CCC=C(C)C (S)-(-)-beta-Citronellol 7540-51-4|(S)-(-)-beta-Citronellol|(-)-3,7-Dimethyloct-6-en-1-ol|(-)-beta-Citronellol|(-)-Citronellol|(3S)-3,7-Dimethyloct-6-en-1-ol|(3S)-Citronellol|(S)-(-)-Citronellol|(S)-3,7-dimethyl-6-octen-1-ol|6-Octen-1-ol, 3,7-dimethyl-, (3S)-|EINECS 231-415-7|l-Citronellol|UNII-8RSY5Y5658 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041550
ERPathway2016 ERPathway2016_1023 (S)-(-)-beta-Citronellol 7540-51-4 DTXSID1041550 ER Pathway Model, Agonist Call Inactive Unitless C[C@H](CCO)CCC=C(C)C (S)-(-)-beta-Citronellol 7540-51-4|(S)-(-)-beta-Citronellol|(-)-3,7-Dimethyloct-6-en-1-ol|(-)-beta-Citronellol|(-)-Citronellol|(3S)-3,7-Dimethyloct-6-en-1-ol|(3S)-Citronellol|(S)-(-)-Citronellol|(S)-3,7-dimethyl-6-octen-1-ol|6-Octen-1-ol, 3,7-dimethyl-, (3S)-|EINECS 231-415-7|l-Citronellol|UNII-8RSY5Y5658 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041550
ERPathway2016 ERPathway2016_1023 (S)-(-)-beta-Citronellol 7540-51-4 DTXSID1041550 ER Pathway Model, Antagonist Call Inactive Unitless C[C@H](CCO)CCC=C(C)C (S)-(-)-beta-Citronellol 7540-51-4|(S)-(-)-beta-Citronellol|(-)-3,7-Dimethyloct-6-en-1-ol|(-)-beta-Citronellol|(-)-Citronellol|(3S)-3,7-Dimethyloct-6-en-1-ol|(3S)-Citronellol|(S)-(-)-Citronellol|(S)-3,7-dimethyl-6-octen-1-ol|6-Octen-1-ol, 3,7-dimethyl-, (3S)-|EINECS 231-415-7|l-Citronellol|UNII-8RSY5Y5658 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041550
ARPathway2016 ARPathway2016_1298 (Z)-11-Hexadecenal 53939-28-9 DTXSID1032303 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC=C/CCCCCCCCCC=O (Z)-11-Hexadecenal 53939-28-9|(Z)-11-Hexadecenal|BRN 1867354|Caswell No. 472C|Chokegard|EINECS 258-876-7|Heliothis pheromone|Heliothis virescens|Hercon chek/mate|Hercon disrupt|Nomate chokegard|131582-69-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032303
ARPathway2016 ARPathway2016_1298 (Z)-11-Hexadecenal 53939-28-9 DTXSID1032303 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC=C/CCCCCCCCCC=O (Z)-11-Hexadecenal 53939-28-9|(Z)-11-Hexadecenal|BRN 1867354|Caswell No. 472C|Chokegard|EINECS 258-876-7|Heliothis pheromone|Heliothis virescens|Hercon chek/mate|Hercon disrupt|Nomate chokegard|131582-69-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032303
ARPathway2016 ARPathway2016_1298 (Z)-11-Hexadecenal 53939-28-9 DTXSID1032303 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC=C/CCCCCCCCCC=O (Z)-11-Hexadecenal 53939-28-9|(Z)-11-Hexadecenal|BRN 1867354|Caswell No. 472C|Chokegard|EINECS 258-876-7|Heliothis pheromone|Heliothis virescens|Hercon chek/mate|Hercon disrupt|Nomate chokegard|131582-69-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032303
ARPathway2016 ARPathway2016_1298 (Z)-11-Hexadecenal 53939-28-9 DTXSID1032303 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC=C/CCCCCCCCCC=O (Z)-11-Hexadecenal 53939-28-9|(Z)-11-Hexadecenal|BRN 1867354|Caswell No. 472C|Chokegard|EINECS 258-876-7|Heliothis pheromone|Heliothis virescens|Hercon chek/mate|Hercon disrupt|Nomate chokegard|131582-69-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032303
ERPathway2016 ERPathway2016_245 (Z)-11-Hexadecenal 53939-28-9 DTXSID1032303 ER Pathway Model, Antagonist AC50 19.5211833054536 uM CCCCC=C/CCCCCCCCCC=O (Z)-11-Hexadecenal 53939-28-9|(Z)-11-Hexadecenal|BRN 1867354|Caswell No. 472C|Chokegard|EINECS 258-876-7|Heliothis pheromone|Heliothis virescens|Hercon chek/mate|Hercon disrupt|Nomate chokegard|131582-69-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032303
ERPathway2016 ERPathway2016_245 (Z)-11-Hexadecenal 53939-28-9 DTXSID1032303 ER Pathway Model, Antagonist ACC 11.3185299074746 uM CCCCC=C/CCCCCCCCCC=O (Z)-11-Hexadecenal 53939-28-9|(Z)-11-Hexadecenal|BRN 1867354|Caswell No. 472C|Chokegard|EINECS 258-876-7|Heliothis pheromone|Heliothis virescens|Hercon chek/mate|Hercon disrupt|Nomate chokegard|131582-69-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032303
ERPathway2016 ERPathway2016_245 (Z)-11-Hexadecenal 53939-28-9 DTXSID1032303 ER Pathway Model, Agonist Model Score 0.0879 Unitless CCCCC=C/CCCCCCCCCC=O (Z)-11-Hexadecenal 53939-28-9|(Z)-11-Hexadecenal|BRN 1867354|Caswell No. 472C|Chokegard|EINECS 258-876-7|Heliothis pheromone|Heliothis virescens|Hercon chek/mate|Hercon disrupt|Nomate chokegard|131582-69-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032303
ERPathway2016 ERPathway2016_245 (Z)-11-Hexadecenal 53939-28-9 DTXSID1032303 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC=C/CCCCCCCCCC=O (Z)-11-Hexadecenal 53939-28-9|(Z)-11-Hexadecenal|BRN 1867354|Caswell No. 472C|Chokegard|EINECS 258-876-7|Heliothis pheromone|Heliothis virescens|Hercon chek/mate|Hercon disrupt|Nomate chokegard|131582-69-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032303
ERPathway2016 ERPathway2016_245 (Z)-11-Hexadecenal 53939-28-9 DTXSID1032303 ER Pathway Model, Agonist Call Inactive Unitless CCCCC=C/CCCCCCCCCC=O (Z)-11-Hexadecenal 53939-28-9|(Z)-11-Hexadecenal|BRN 1867354|Caswell No. 472C|Chokegard|EINECS 258-876-7|Heliothis pheromone|Heliothis virescens|Hercon chek/mate|Hercon disrupt|Nomate chokegard|131582-69-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032303
ERPathway2016 ERPathway2016_245 (Z)-11-Hexadecenal 53939-28-9 DTXSID1032303 ER Pathway Model, Antagonist Call Active Unitless CCCCC=C/CCCCCCCCCC=O (Z)-11-Hexadecenal 53939-28-9|(Z)-11-Hexadecenal|BRN 1867354|Caswell No. 472C|Chokegard|EINECS 258-876-7|Heliothis pheromone|Heliothis virescens|Hercon chek/mate|Hercon disrupt|Nomate chokegard|131582-69-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032303
ARPathway2016 ARPathway2016_1721 (Z)-3-Hexen-1-ol 928-96-1 DTXSID6022137 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC=C/CCO (Z)-3-Hexen-1-ol 928-96-1|(Z)-3-Hexen-1-ol|(3Z)-3-Hexen-1-ol|(3Z)-hex-3-en-1-ol|(Z)-3-Hexenol|(Z)-Hex-3-en-1-ol|3-Hexen-1-ol, (3Z)-|3-Hexen-1-ol, (Z)-|3-Hexen-1-ol, cis-|3Z-Hexen-1-ol|4-01-00-02141|beta-gamma-Hexenol|Blaetteralkohol|Blatteralkohol|BRN 1719712|CIS-3-HEXANOL|cis-3-hexen-1-ol|cis-3-Hexene-1-ol|CIS-3-HEXENOL|cis-3-Hexenyl alcohol|cis-Hex-3-en-1-ol|cis-hex-3-ene-1-ol|EINECS 213-192-8|FEMA No. 2563|Folic alcohol|HEX-3-CIS-ENOL, LEAF ALCOHOL|HEX-3-EN-1-OL, (Z)-|Leaf alcohol|NSC 74451|UNII-V14F8G75P4|Z-3-Hexenol|82658-58-0|95123-47-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022137
ARPathway2016 ARPathway2016_1721 (Z)-3-Hexen-1-ol 928-96-1 DTXSID6022137 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC=C/CCO (Z)-3-Hexen-1-ol 928-96-1|(Z)-3-Hexen-1-ol|(3Z)-3-Hexen-1-ol|(3Z)-hex-3-en-1-ol|(Z)-3-Hexenol|(Z)-Hex-3-en-1-ol|3-Hexen-1-ol, (3Z)-|3-Hexen-1-ol, (Z)-|3-Hexen-1-ol, cis-|3Z-Hexen-1-ol|4-01-00-02141|beta-gamma-Hexenol|Blaetteralkohol|Blatteralkohol|BRN 1719712|CIS-3-HEXANOL|cis-3-hexen-1-ol|cis-3-Hexene-1-ol|CIS-3-HEXENOL|cis-3-Hexenyl alcohol|cis-Hex-3-en-1-ol|cis-hex-3-ene-1-ol|EINECS 213-192-8|FEMA No. 2563|Folic alcohol|HEX-3-CIS-ENOL, LEAF ALCOHOL|HEX-3-EN-1-OL, (Z)-|Leaf alcohol|NSC 74451|UNII-V14F8G75P4|Z-3-Hexenol|82658-58-0|95123-47-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022137
ARPathway2016 ARPathway2016_1721 (Z)-3-Hexen-1-ol 928-96-1 DTXSID6022137 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC=C/CCO (Z)-3-Hexen-1-ol 928-96-1|(Z)-3-Hexen-1-ol|(3Z)-3-Hexen-1-ol|(3Z)-hex-3-en-1-ol|(Z)-3-Hexenol|(Z)-Hex-3-en-1-ol|3-Hexen-1-ol, (3Z)-|3-Hexen-1-ol, (Z)-|3-Hexen-1-ol, cis-|3Z-Hexen-1-ol|4-01-00-02141|beta-gamma-Hexenol|Blaetteralkohol|Blatteralkohol|BRN 1719712|CIS-3-HEXANOL|cis-3-hexen-1-ol|cis-3-Hexene-1-ol|CIS-3-HEXENOL|cis-3-Hexenyl alcohol|cis-Hex-3-en-1-ol|cis-hex-3-ene-1-ol|EINECS 213-192-8|FEMA No. 2563|Folic alcohol|HEX-3-CIS-ENOL, LEAF ALCOHOL|HEX-3-EN-1-OL, (Z)-|Leaf alcohol|NSC 74451|UNII-V14F8G75P4|Z-3-Hexenol|82658-58-0|95123-47-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022137
ARPathway2016 ARPathway2016_1721 (Z)-3-Hexen-1-ol 928-96-1 DTXSID6022137 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC=C/CCO (Z)-3-Hexen-1-ol 928-96-1|(Z)-3-Hexen-1-ol|(3Z)-3-Hexen-1-ol|(3Z)-hex-3-en-1-ol|(Z)-3-Hexenol|(Z)-Hex-3-en-1-ol|3-Hexen-1-ol, (3Z)-|3-Hexen-1-ol, (Z)-|3-Hexen-1-ol, cis-|3Z-Hexen-1-ol|4-01-00-02141|beta-gamma-Hexenol|Blaetteralkohol|Blatteralkohol|BRN 1719712|CIS-3-HEXANOL|cis-3-hexen-1-ol|cis-3-Hexene-1-ol|CIS-3-HEXENOL|cis-3-Hexenyl alcohol|cis-Hex-3-en-1-ol|cis-hex-3-ene-1-ol|EINECS 213-192-8|FEMA No. 2563|Folic alcohol|HEX-3-CIS-ENOL, LEAF ALCOHOL|HEX-3-EN-1-OL, (Z)-|Leaf alcohol|NSC 74451|UNII-V14F8G75P4|Z-3-Hexenol|82658-58-0|95123-47-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022137
ERPathway2016 ERPathway2016_1745 (Z)-3-Hexen-1-ol 928-96-1 DTXSID6022137 ER Pathway Model, Agonist Model Score 0 Unitless CCC=C/CCO (Z)-3-Hexen-1-ol 928-96-1|(Z)-3-Hexen-1-ol|(3Z)-3-Hexen-1-ol|(3Z)-hex-3-en-1-ol|(Z)-3-Hexenol|(Z)-Hex-3-en-1-ol|3-Hexen-1-ol, (3Z)-|3-Hexen-1-ol, (Z)-|3-Hexen-1-ol, cis-|3Z-Hexen-1-ol|4-01-00-02141|beta-gamma-Hexenol|Blaetteralkohol|Blatteralkohol|BRN 1719712|CIS-3-HEXANOL|cis-3-hexen-1-ol|cis-3-Hexene-1-ol|CIS-3-HEXENOL|cis-3-Hexenyl alcohol|cis-Hex-3-en-1-ol|cis-hex-3-ene-1-ol|EINECS 213-192-8|FEMA No. 2563|Folic alcohol|HEX-3-CIS-ENOL, LEAF ALCOHOL|HEX-3-EN-1-OL, (Z)-|Leaf alcohol|NSC 74451|UNII-V14F8G75P4|Z-3-Hexenol|82658-58-0|95123-47-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022137
ERPathway2016 ERPathway2016_1745 (Z)-3-Hexen-1-ol 928-96-1 DTXSID6022137 ER Pathway Model, Antagonist Model Score 0 Unitless CCC=C/CCO (Z)-3-Hexen-1-ol 928-96-1|(Z)-3-Hexen-1-ol|(3Z)-3-Hexen-1-ol|(3Z)-hex-3-en-1-ol|(Z)-3-Hexenol|(Z)-Hex-3-en-1-ol|3-Hexen-1-ol, (3Z)-|3-Hexen-1-ol, (Z)-|3-Hexen-1-ol, cis-|3Z-Hexen-1-ol|4-01-00-02141|beta-gamma-Hexenol|Blaetteralkohol|Blatteralkohol|BRN 1719712|CIS-3-HEXANOL|cis-3-hexen-1-ol|cis-3-Hexene-1-ol|CIS-3-HEXENOL|cis-3-Hexenyl alcohol|cis-Hex-3-en-1-ol|cis-hex-3-ene-1-ol|EINECS 213-192-8|FEMA No. 2563|Folic alcohol|HEX-3-CIS-ENOL, LEAF ALCOHOL|HEX-3-EN-1-OL, (Z)-|Leaf alcohol|NSC 74451|UNII-V14F8G75P4|Z-3-Hexenol|82658-58-0|95123-47-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022137
ERPathway2016 ERPathway2016_1745 (Z)-3-Hexen-1-ol 928-96-1 DTXSID6022137 ER Pathway Model, Agonist Call Inactive Unitless CCC=C/CCO (Z)-3-Hexen-1-ol 928-96-1|(Z)-3-Hexen-1-ol|(3Z)-3-Hexen-1-ol|(3Z)-hex-3-en-1-ol|(Z)-3-Hexenol|(Z)-Hex-3-en-1-ol|3-Hexen-1-ol, (3Z)-|3-Hexen-1-ol, (Z)-|3-Hexen-1-ol, cis-|3Z-Hexen-1-ol|4-01-00-02141|beta-gamma-Hexenol|Blaetteralkohol|Blatteralkohol|BRN 1719712|CIS-3-HEXANOL|cis-3-hexen-1-ol|cis-3-Hexene-1-ol|CIS-3-HEXENOL|cis-3-Hexenyl alcohol|cis-Hex-3-en-1-ol|cis-hex-3-ene-1-ol|EINECS 213-192-8|FEMA No. 2563|Folic alcohol|HEX-3-CIS-ENOL, LEAF ALCOHOL|HEX-3-EN-1-OL, (Z)-|Leaf alcohol|NSC 74451|UNII-V14F8G75P4|Z-3-Hexenol|82658-58-0|95123-47-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022137
ERPathway2016 ERPathway2016_1745 (Z)-3-Hexen-1-ol 928-96-1 DTXSID6022137 ER Pathway Model, Antagonist Call Inactive Unitless CCC=C/CCO (Z)-3-Hexen-1-ol 928-96-1|(Z)-3-Hexen-1-ol|(3Z)-3-Hexen-1-ol|(3Z)-hex-3-en-1-ol|(Z)-3-Hexenol|(Z)-Hex-3-en-1-ol|3-Hexen-1-ol, (3Z)-|3-Hexen-1-ol, (Z)-|3-Hexen-1-ol, cis-|3Z-Hexen-1-ol|4-01-00-02141|beta-gamma-Hexenol|Blaetteralkohol|Blatteralkohol|BRN 1719712|CIS-3-HEXANOL|cis-3-hexen-1-ol|cis-3-Hexene-1-ol|CIS-3-HEXENOL|cis-3-Hexenyl alcohol|cis-Hex-3-en-1-ol|cis-hex-3-ene-1-ol|EINECS 213-192-8|FEMA No. 2563|Folic alcohol|HEX-3-CIS-ENOL, LEAF ALCOHOL|HEX-3-EN-1-OL, (Z)-|Leaf alcohol|NSC 74451|UNII-V14F8G75P4|Z-3-Hexenol|82658-58-0|95123-47-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022137
ARPathway2016 ARPathway2016_468 (Z)-Nerol 106-25-2 DTXSID3026728 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(C)=C/CO (Z)-Nerol 106-25-2|(Z)-Nerol|(2E)3,7-dimethyl-2,6-Octadien-1-ol|(2Z)-3,7-Dimethyl-2,6-octadien-1-ol|(2Z)-3,7-dimethylocta-2,6-dien-1-ol|(cis)3,7-dimethyl-2,6-Octadien-1-ol|(E)3,7-dimethyl-2,6-Octadien-1-ol|(E)3,7-Dimethyl-Octadien-1-ol|(Z)-3,7-Dimethyl-2,6-octadien-1-ol|(Z)-3,7-Dimethyl-2,6-octadienol|(Z)-3,7-Dimethylocta-2,6-dien-1-ol|(Z)-Geraniol|(Z)-Nerol|(Z)3,7-dimethyl-2,6-Octadien-1-ol|2-cis-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadiene-1-ol|2,6-Dimethyl-trans-2,6-octadien-8-ol|2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)-|2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-|2,6-Octadien-1-ol, 3,7-dimetil-, (2Z) -|3,7-Dimethyl-2,6-Octadien-1-ol|3,7-Dimethyl-2,6-octadien-1-ol, (Z)-|3,7-Dimethyl-2,6-octadien-1-ol, cis-|3,7-Dimethyl-cis-2,6-octadien-1-ol|3,7-Dimethyl-Octane-1-ol tetrahydro derivative|3,7-Dimethyl-trans-2, 6-octadien-1-ol|3,7-Dimethylocta-2,6-dien-1-ol|beta-Geraniol|cis-1-Hydroxy-3,7-dimethyl-2,6-octadiene|cis-3,7-Dimethyl-2,6-octadien-1-ol|cis-Geraniol|EINECS 203-378-7|FEMA No. 2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026728
ARPathway2016 ARPathway2016_468 (Z)-Nerol 106-25-2 DTXSID3026728 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(C)=C/CO (Z)-Nerol 106-25-2|(Z)-Nerol|(2E)3,7-dimethyl-2,6-Octadien-1-ol|(2Z)-3,7-Dimethyl-2,6-octadien-1-ol|(2Z)-3,7-dimethylocta-2,6-dien-1-ol|(cis)3,7-dimethyl-2,6-Octadien-1-ol|(E)3,7-dimethyl-2,6-Octadien-1-ol|(E)3,7-Dimethyl-Octadien-1-ol|(Z)-3,7-Dimethyl-2,6-octadien-1-ol|(Z)-3,7-Dimethyl-2,6-octadienol|(Z)-3,7-Dimethylocta-2,6-dien-1-ol|(Z)-Geraniol|(Z)-Nerol|(Z)3,7-dimethyl-2,6-Octadien-1-ol|2-cis-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadiene-1-ol|2,6-Dimethyl-trans-2,6-octadien-8-ol|2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)-|2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-|2,6-Octadien-1-ol, 3,7-dimetil-, (2Z) -|3,7-Dimethyl-2,6-Octadien-1-ol|3,7-Dimethyl-2,6-octadien-1-ol, (Z)-|3,7-Dimethyl-2,6-octadien-1-ol, cis-|3,7-Dimethyl-cis-2,6-octadien-1-ol|3,7-Dimethyl-Octane-1-ol tetrahydro derivative|3,7-Dimethyl-trans-2, 6-octadien-1-ol|3,7-Dimethylocta-2,6-dien-1-ol|beta-Geraniol|cis-1-Hydroxy-3,7-dimethyl-2,6-octadiene|cis-3,7-Dimethyl-2,6-octadien-1-ol|cis-Geraniol|EINECS 203-378-7|FEMA No. 2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026728
ARPathway2016 ARPathway2016_468 (Z)-Nerol 106-25-2 DTXSID3026728 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(C)=C/CO (Z)-Nerol 106-25-2|(Z)-Nerol|(2E)3,7-dimethyl-2,6-Octadien-1-ol|(2Z)-3,7-Dimethyl-2,6-octadien-1-ol|(2Z)-3,7-dimethylocta-2,6-dien-1-ol|(cis)3,7-dimethyl-2,6-Octadien-1-ol|(E)3,7-dimethyl-2,6-Octadien-1-ol|(E)3,7-Dimethyl-Octadien-1-ol|(Z)-3,7-Dimethyl-2,6-octadien-1-ol|(Z)-3,7-Dimethyl-2,6-octadienol|(Z)-3,7-Dimethylocta-2,6-dien-1-ol|(Z)-Geraniol|(Z)-Nerol|(Z)3,7-dimethyl-2,6-Octadien-1-ol|2-cis-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadiene-1-ol|2,6-Dimethyl-trans-2,6-octadien-8-ol|2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)-|2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-|2,6-Octadien-1-ol, 3,7-dimetil-, (2Z) -|3,7-Dimethyl-2,6-Octadien-1-ol|3,7-Dimethyl-2,6-octadien-1-ol, (Z)-|3,7-Dimethyl-2,6-octadien-1-ol, cis-|3,7-Dimethyl-cis-2,6-octadien-1-ol|3,7-Dimethyl-Octane-1-ol tetrahydro derivative|3,7-Dimethyl-trans-2, 6-octadien-1-ol|3,7-Dimethylocta-2,6-dien-1-ol|beta-Geraniol|cis-1-Hydroxy-3,7-dimethyl-2,6-octadiene|cis-3,7-Dimethyl-2,6-octadien-1-ol|cis-Geraniol|EINECS 203-378-7|FEMA No. 2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026728
ARPathway2016 ARPathway2016_468 (Z)-Nerol 106-25-2 DTXSID3026728 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(C)=C/CO (Z)-Nerol 106-25-2|(Z)-Nerol|(2E)3,7-dimethyl-2,6-Octadien-1-ol|(2Z)-3,7-Dimethyl-2,6-octadien-1-ol|(2Z)-3,7-dimethylocta-2,6-dien-1-ol|(cis)3,7-dimethyl-2,6-Octadien-1-ol|(E)3,7-dimethyl-2,6-Octadien-1-ol|(E)3,7-Dimethyl-Octadien-1-ol|(Z)-3,7-Dimethyl-2,6-octadien-1-ol|(Z)-3,7-Dimethyl-2,6-octadienol|(Z)-3,7-Dimethylocta-2,6-dien-1-ol|(Z)-Geraniol|(Z)-Nerol|(Z)3,7-dimethyl-2,6-Octadien-1-ol|2-cis-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadiene-1-ol|2,6-Dimethyl-trans-2,6-octadien-8-ol|2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)-|2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-|2,6-Octadien-1-ol, 3,7-dimetil-, (2Z) -|3,7-Dimethyl-2,6-Octadien-1-ol|3,7-Dimethyl-2,6-octadien-1-ol, (Z)-|3,7-Dimethyl-2,6-octadien-1-ol, cis-|3,7-Dimethyl-cis-2,6-octadien-1-ol|3,7-Dimethyl-Octane-1-ol tetrahydro derivative|3,7-Dimethyl-trans-2, 6-octadien-1-ol|3,7-Dimethylocta-2,6-dien-1-ol|beta-Geraniol|cis-1-Hydroxy-3,7-dimethyl-2,6-octadiene|cis-3,7-Dimethyl-2,6-octadien-1-ol|cis-Geraniol|EINECS 203-378-7|FEMA No. 2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026728
ERPathway2016 ERPathway2016_1085 (Z)-Nerol 106-25-2 DTXSID3026728 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(C)=C/CO (Z)-Nerol 106-25-2|(Z)-Nerol|(2E)3,7-dimethyl-2,6-Octadien-1-ol|(2Z)-3,7-Dimethyl-2,6-octadien-1-ol|(2Z)-3,7-dimethylocta-2,6-dien-1-ol|(cis)3,7-dimethyl-2,6-Octadien-1-ol|(E)3,7-dimethyl-2,6-Octadien-1-ol|(E)3,7-Dimethyl-Octadien-1-ol|(Z)-3,7-Dimethyl-2,6-octadien-1-ol|(Z)-3,7-Dimethyl-2,6-octadienol|(Z)-3,7-Dimethylocta-2,6-dien-1-ol|(Z)-Geraniol|(Z)-Nerol|(Z)3,7-dimethyl-2,6-Octadien-1-ol|2-cis-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadiene-1-ol|2,6-Dimethyl-trans-2,6-octadien-8-ol|2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)-|2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-|2,6-Octadien-1-ol, 3,7-dimetil-, (2Z) -|3,7-Dimethyl-2,6-Octadien-1-ol|3,7-Dimethyl-2,6-octadien-1-ol, (Z)-|3,7-Dimethyl-2,6-octadien-1-ol, cis-|3,7-Dimethyl-cis-2,6-octadien-1-ol|3,7-Dimethyl-Octane-1-ol tetrahydro derivative|3,7-Dimethyl-trans-2, 6-octadien-1-ol|3,7-Dimethylocta-2,6-dien-1-ol|beta-Geraniol|cis-1-Hydroxy-3,7-dimethyl-2,6-octadiene|cis-3,7-Dimethyl-2,6-octadien-1-ol|cis-Geraniol|EINECS 203-378-7|FEMA No. 2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026728
ERPathway2016 ERPathway2016_1085 (Z)-Nerol 106-25-2 DTXSID3026728 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(C)=C/CO (Z)-Nerol 106-25-2|(Z)-Nerol|(2E)3,7-dimethyl-2,6-Octadien-1-ol|(2Z)-3,7-Dimethyl-2,6-octadien-1-ol|(2Z)-3,7-dimethylocta-2,6-dien-1-ol|(cis)3,7-dimethyl-2,6-Octadien-1-ol|(E)3,7-dimethyl-2,6-Octadien-1-ol|(E)3,7-Dimethyl-Octadien-1-ol|(Z)-3,7-Dimethyl-2,6-octadien-1-ol|(Z)-3,7-Dimethyl-2,6-octadienol|(Z)-3,7-Dimethylocta-2,6-dien-1-ol|(Z)-Geraniol|(Z)-Nerol|(Z)3,7-dimethyl-2,6-Octadien-1-ol|2-cis-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadiene-1-ol|2,6-Dimethyl-trans-2,6-octadien-8-ol|2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)-|2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-|2,6-Octadien-1-ol, 3,7-dimetil-, (2Z) -|3,7-Dimethyl-2,6-Octadien-1-ol|3,7-Dimethyl-2,6-octadien-1-ol, (Z)-|3,7-Dimethyl-2,6-octadien-1-ol, cis-|3,7-Dimethyl-cis-2,6-octadien-1-ol|3,7-Dimethyl-Octane-1-ol tetrahydro derivative|3,7-Dimethyl-trans-2, 6-octadien-1-ol|3,7-Dimethylocta-2,6-dien-1-ol|beta-Geraniol|cis-1-Hydroxy-3,7-dimethyl-2,6-octadiene|cis-3,7-Dimethyl-2,6-octadien-1-ol|cis-Geraniol|EINECS 203-378-7|FEMA No. 2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026728
ERPathway2016 ERPathway2016_1085 (Z)-Nerol 106-25-2 DTXSID3026728 ER Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(C)=C/CO (Z)-Nerol 106-25-2|(Z)-Nerol|(2E)3,7-dimethyl-2,6-Octadien-1-ol|(2Z)-3,7-Dimethyl-2,6-octadien-1-ol|(2Z)-3,7-dimethylocta-2,6-dien-1-ol|(cis)3,7-dimethyl-2,6-Octadien-1-ol|(E)3,7-dimethyl-2,6-Octadien-1-ol|(E)3,7-Dimethyl-Octadien-1-ol|(Z)-3,7-Dimethyl-2,6-octadien-1-ol|(Z)-3,7-Dimethyl-2,6-octadienol|(Z)-3,7-Dimethylocta-2,6-dien-1-ol|(Z)-Geraniol|(Z)-Nerol|(Z)3,7-dimethyl-2,6-Octadien-1-ol|2-cis-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadiene-1-ol|2,6-Dimethyl-trans-2,6-octadien-8-ol|2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)-|2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-|2,6-Octadien-1-ol, 3,7-dimetil-, (2Z) -|3,7-Dimethyl-2,6-Octadien-1-ol|3,7-Dimethyl-2,6-octadien-1-ol, (Z)-|3,7-Dimethyl-2,6-octadien-1-ol, cis-|3,7-Dimethyl-cis-2,6-octadien-1-ol|3,7-Dimethyl-Octane-1-ol tetrahydro derivative|3,7-Dimethyl-trans-2, 6-octadien-1-ol|3,7-Dimethylocta-2,6-dien-1-ol|beta-Geraniol|cis-1-Hydroxy-3,7-dimethyl-2,6-octadiene|cis-3,7-Dimethyl-2,6-octadien-1-ol|cis-Geraniol|EINECS 203-378-7|FEMA No. 2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026728
ERPathway2016 ERPathway2016_1085 (Z)-Nerol 106-25-2 DTXSID3026728 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(C)=C/CO (Z)-Nerol 106-25-2|(Z)-Nerol|(2E)3,7-dimethyl-2,6-Octadien-1-ol|(2Z)-3,7-Dimethyl-2,6-octadien-1-ol|(2Z)-3,7-dimethylocta-2,6-dien-1-ol|(cis)3,7-dimethyl-2,6-Octadien-1-ol|(E)3,7-dimethyl-2,6-Octadien-1-ol|(E)3,7-Dimethyl-Octadien-1-ol|(Z)-3,7-Dimethyl-2,6-octadien-1-ol|(Z)-3,7-Dimethyl-2,6-octadienol|(Z)-3,7-Dimethylocta-2,6-dien-1-ol|(Z)-Geraniol|(Z)-Nerol|(Z)3,7-dimethyl-2,6-Octadien-1-ol|2-cis-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadiene-1-ol|2,6-Dimethyl-trans-2,6-octadien-8-ol|2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)-|2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-|2,6-Octadien-1-ol, 3,7-dimetil-, (2Z) -|3,7-Dimethyl-2,6-Octadien-1-ol|3,7-Dimethyl-2,6-octadien-1-ol, (Z)-|3,7-Dimethyl-2,6-octadien-1-ol, cis-|3,7-Dimethyl-cis-2,6-octadien-1-ol|3,7-Dimethyl-Octane-1-ol tetrahydro derivative|3,7-Dimethyl-trans-2, 6-octadien-1-ol|3,7-Dimethylocta-2,6-dien-1-ol|beta-Geraniol|cis-1-Hydroxy-3,7-dimethyl-2,6-octadiene|cis-3,7-Dimethyl-2,6-octadien-1-ol|cis-Geraniol|EINECS 203-378-7|FEMA No. 2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026728
ARPathway2016 ARPathway2016_1250 [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid 50892-23-4 DTXSID4020290 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(C)C(NC2=NC(SCC(O)=O)=NC(Cl)=C2)=CC=C1 [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid 50892-23-4|[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid|((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acid|(4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid|[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid|2-[[4-Chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]acetic acid|Acetic acid, 2-[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2- pyrimidinyl]thio]-|Acide pirinixique|Acido pirinixico|Acidum pirinixicum|BRN 0759945|NSC 310038|Pirinixic acid|UNII-86C4MRT55A|WY-14,643|Wyeth 14,643|Wyeth-14,643 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020290 https://doi.org/10.22427/NTP-DATA-DTXSID4020290
ARPathway2016 ARPathway2016_1250 [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid 50892-23-4 DTXSID4020290 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(C)C(NC2=NC(SCC(O)=O)=NC(Cl)=C2)=CC=C1 [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid 50892-23-4|[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid|((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acid|(4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid|[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid|2-[[4-Chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]acetic acid|Acetic acid, 2-[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2- pyrimidinyl]thio]-|Acide pirinixique|Acido pirinixico|Acidum pirinixicum|BRN 0759945|NSC 310038|Pirinixic acid|UNII-86C4MRT55A|WY-14,643|Wyeth 14,643|Wyeth-14,643 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020290 https://doi.org/10.22427/NTP-DATA-DTXSID4020290
ARPathway2016 ARPathway2016_1250 [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid 50892-23-4 DTXSID4020290 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(C)C(NC2=NC(SCC(O)=O)=NC(Cl)=C2)=CC=C1 [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid 50892-23-4|[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid|((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acid|(4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid|[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid|2-[[4-Chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]acetic acid|Acetic acid, 2-[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2- pyrimidinyl]thio]-|Acide pirinixique|Acido pirinixico|Acidum pirinixicum|BRN 0759945|NSC 310038|Pirinixic acid|UNII-86C4MRT55A|WY-14,643|Wyeth 14,643|Wyeth-14,643 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020290 https://doi.org/10.22427/NTP-DATA-DTXSID4020290
ARPathway2016 ARPathway2016_1250 [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid 50892-23-4 DTXSID4020290 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(C)C(NC2=NC(SCC(O)=O)=NC(Cl)=C2)=CC=C1 [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid 50892-23-4|[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid|((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acid|(4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid|[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid|2-[[4-Chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]acetic acid|Acetic acid, 2-[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2- pyrimidinyl]thio]-|Acide pirinixique|Acido pirinixico|Acidum pirinixicum|BRN 0759945|NSC 310038|Pirinixic acid|UNII-86C4MRT55A|WY-14,643|Wyeth 14,643|Wyeth-14,643 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020290 https://doi.org/10.22427/NTP-DATA-DTXSID4020290
ERPathway2016 ERPathway2016_638 [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid 50892-23-4 DTXSID4020290 A17 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(C)C(NC2=NC(SCC(O)=O)=NC(Cl)=C2)=CC=C1 [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid 50892-23-4|[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid|((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acid|(4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid|[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid|2-[[4-Chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]acetic acid|Acetic acid, 2-[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2- pyrimidinyl]thio]-|Acide pirinixique|Acido pirinixico|Acidum pirinixicum|BRN 0759945|NSC 310038|Pirinixic acid|UNII-86C4MRT55A|WY-14,643|Wyeth 14,643|Wyeth-14,643 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020290 https://doi.org/10.22427/NTP-DATA-DTXSID4020290
ERPathway2016 ERPathway2016_638 [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid 50892-23-4 DTXSID4020290 A17 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(C)C(NC2=NC(SCC(O)=O)=NC(Cl)=C2)=CC=C1 [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid 50892-23-4|[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid|((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acid|(4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid|[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid|2-[[4-Chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]acetic acid|Acetic acid, 2-[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2- pyrimidinyl]thio]-|Acide pirinixique|Acido pirinixico|Acidum pirinixicum|BRN 0759945|NSC 310038|Pirinixic acid|UNII-86C4MRT55A|WY-14,643|Wyeth 14,643|Wyeth-14,643 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020290 https://doi.org/10.22427/NTP-DATA-DTXSID4020290
ERPathway2016 ERPathway2016_638 [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid 50892-23-4 DTXSID4020290 A17 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(C)C(NC2=NC(SCC(O)=O)=NC(Cl)=C2)=CC=C1 [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid 50892-23-4|[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid|((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acid|(4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid|[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid|2-[[4-Chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]acetic acid|Acetic acid, 2-[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2- pyrimidinyl]thio]-|Acide pirinixique|Acido pirinixico|Acidum pirinixicum|BRN 0759945|NSC 310038|Pirinixic acid|UNII-86C4MRT55A|WY-14,643|Wyeth 14,643|Wyeth-14,643 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020290 https://doi.org/10.22427/NTP-DATA-DTXSID4020290
ERPathway2016 ERPathway2016_638 [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid 50892-23-4 DTXSID4020290 A17 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(C)C(NC2=NC(SCC(O)=O)=NC(Cl)=C2)=CC=C1 [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid 50892-23-4|[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid|((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acid|(4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid|[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid|2-[[4-Chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]acetic acid|Acetic acid, 2-[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2- pyrimidinyl]thio]-|Acide pirinixique|Acido pirinixico|Acidum pirinixicum|BRN 0759945|NSC 310038|Pirinixic acid|UNII-86C4MRT55A|WY-14,643|Wyeth 14,643|Wyeth-14,643 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020290 https://doi.org/10.22427/NTP-DATA-DTXSID4020290
ARPathway2016 ARPathway2016_827 1-(2-Aminoethyl)piperazine 140-31-8 DTXSID2021997 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NCCN1CCNCC1 1-(2-Aminoethyl)piperazine 140-31-8|1-(2-Aminoethyl)piperazine|1-(2-Aminomethyl)piperazine|1-(b-Aminoethyl)piperazine|1-Aminoethylpiperazine|1-Piperazineethanamine|1-Piperazineethylamine|2-(1-Piperazinyl)ethanamine|2-(1-Piperazinyl)ethylamine|2-piperazin-1-iletilamina|2-Piperazin-1-ylethylamin|2-Piperazin-1-ylethylamine|2-piperazine-1-ylethylamine|2-Piperazinylethylamine|4-(2-Aminoethyl)piperazine|5-23-01-00257|Ancamine AEP|BRN 0104363|EINECS 205-411-0|N-(2-AMINOAETHYL)-PIPERAZIN|N-(2-Aminoethyl)piperazine|N-(beta-Aminoethyl)piperazine|N-(b-Aminoethyl)piperazine|N-aminoethyl piperazine|NSC 38968|Piperazine, 1-(2-aminoethyl)-|PIPERAZINE, N-AMINOETHYL-|UN 2815|UNII-I86052F9F6|935701-76-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021997
ARPathway2016 ARPathway2016_827 1-(2-Aminoethyl)piperazine 140-31-8 DTXSID2021997 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NCCN1CCNCC1 1-(2-Aminoethyl)piperazine 140-31-8|1-(2-Aminoethyl)piperazine|1-(2-Aminomethyl)piperazine|1-(b-Aminoethyl)piperazine|1-Aminoethylpiperazine|1-Piperazineethanamine|1-Piperazineethylamine|2-(1-Piperazinyl)ethanamine|2-(1-Piperazinyl)ethylamine|2-piperazin-1-iletilamina|2-Piperazin-1-ylethylamin|2-Piperazin-1-ylethylamine|2-piperazine-1-ylethylamine|2-Piperazinylethylamine|4-(2-Aminoethyl)piperazine|5-23-01-00257|Ancamine AEP|BRN 0104363|EINECS 205-411-0|N-(2-AMINOAETHYL)-PIPERAZIN|N-(2-Aminoethyl)piperazine|N-(beta-Aminoethyl)piperazine|N-(b-Aminoethyl)piperazine|N-aminoethyl piperazine|NSC 38968|Piperazine, 1-(2-aminoethyl)-|PIPERAZINE, N-AMINOETHYL-|UN 2815|UNII-I86052F9F6|935701-76-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021997
ARPathway2016 ARPathway2016_827 1-(2-Aminoethyl)piperazine 140-31-8 DTXSID2021997 0.0 AR Pathway Model, Agonist Call Inactive Unitless NCCN1CCNCC1 1-(2-Aminoethyl)piperazine 140-31-8|1-(2-Aminoethyl)piperazine|1-(2-Aminomethyl)piperazine|1-(b-Aminoethyl)piperazine|1-Aminoethylpiperazine|1-Piperazineethanamine|1-Piperazineethylamine|2-(1-Piperazinyl)ethanamine|2-(1-Piperazinyl)ethylamine|2-piperazin-1-iletilamina|2-Piperazin-1-ylethylamin|2-Piperazin-1-ylethylamine|2-piperazine-1-ylethylamine|2-Piperazinylethylamine|4-(2-Aminoethyl)piperazine|5-23-01-00257|Ancamine AEP|BRN 0104363|EINECS 205-411-0|N-(2-AMINOAETHYL)-PIPERAZIN|N-(2-Aminoethyl)piperazine|N-(beta-Aminoethyl)piperazine|N-(b-Aminoethyl)piperazine|N-aminoethyl piperazine|NSC 38968|Piperazine, 1-(2-aminoethyl)-|PIPERAZINE, N-AMINOETHYL-|UN 2815|UNII-I86052F9F6|935701-76-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021997
ARPathway2016 ARPathway2016_827 1-(2-Aminoethyl)piperazine 140-31-8 DTXSID2021997 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NCCN1CCNCC1 1-(2-Aminoethyl)piperazine 140-31-8|1-(2-Aminoethyl)piperazine|1-(2-Aminomethyl)piperazine|1-(b-Aminoethyl)piperazine|1-Aminoethylpiperazine|1-Piperazineethanamine|1-Piperazineethylamine|2-(1-Piperazinyl)ethanamine|2-(1-Piperazinyl)ethylamine|2-piperazin-1-iletilamina|2-Piperazin-1-ylethylamin|2-Piperazin-1-ylethylamine|2-piperazine-1-ylethylamine|2-Piperazinylethylamine|4-(2-Aminoethyl)piperazine|5-23-01-00257|Ancamine AEP|BRN 0104363|EINECS 205-411-0|N-(2-AMINOAETHYL)-PIPERAZIN|N-(2-Aminoethyl)piperazine|N-(beta-Aminoethyl)piperazine|N-(b-Aminoethyl)piperazine|N-aminoethyl piperazine|NSC 38968|Piperazine, 1-(2-aminoethyl)-|PIPERAZINE, N-AMINOETHYL-|UN 2815|UNII-I86052F9F6|935701-76-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021997
ERPathway2016 ERPathway2016_416 1-(2-Aminoethyl)piperazine 140-31-8 DTXSID2021997 R8 ER Pathway Model, Antagonist AC50 14.9731540171034 uM NCCN1CCNCC1 1-(2-Aminoethyl)piperazine 140-31-8|1-(2-Aminoethyl)piperazine|1-(2-Aminomethyl)piperazine|1-(b-Aminoethyl)piperazine|1-Aminoethylpiperazine|1-Piperazineethanamine|1-Piperazineethylamine|2-(1-Piperazinyl)ethanamine|2-(1-Piperazinyl)ethylamine|2-piperazin-1-iletilamina|2-Piperazin-1-ylethylamin|2-Piperazin-1-ylethylamine|2-piperazine-1-ylethylamine|2-Piperazinylethylamine|4-(2-Aminoethyl)piperazine|5-23-01-00257|Ancamine AEP|BRN 0104363|EINECS 205-411-0|N-(2-AMINOAETHYL)-PIPERAZIN|N-(2-Aminoethyl)piperazine|N-(beta-Aminoethyl)piperazine|N-(b-Aminoethyl)piperazine|N-aminoethyl piperazine|NSC 38968|Piperazine, 1-(2-aminoethyl)-|PIPERAZINE, N-AMINOETHYL-|UN 2815|UNII-I86052F9F6|935701-76-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021997
ERPathway2016 ERPathway2016_416 1-(2-Aminoethyl)piperazine 140-31-8 DTXSID2021997 R8 ER Pathway Model, Antagonist ACC 10.634149956675 uM NCCN1CCNCC1 1-(2-Aminoethyl)piperazine 140-31-8|1-(2-Aminoethyl)piperazine|1-(2-Aminomethyl)piperazine|1-(b-Aminoethyl)piperazine|1-Aminoethylpiperazine|1-Piperazineethanamine|1-Piperazineethylamine|2-(1-Piperazinyl)ethanamine|2-(1-Piperazinyl)ethylamine|2-piperazin-1-iletilamina|2-Piperazin-1-ylethylamin|2-Piperazin-1-ylethylamine|2-piperazine-1-ylethylamine|2-Piperazinylethylamine|4-(2-Aminoethyl)piperazine|5-23-01-00257|Ancamine AEP|BRN 0104363|EINECS 205-411-0|N-(2-AMINOAETHYL)-PIPERAZIN|N-(2-Aminoethyl)piperazine|N-(beta-Aminoethyl)piperazine|N-(b-Aminoethyl)piperazine|N-aminoethyl piperazine|NSC 38968|Piperazine, 1-(2-aminoethyl)-|PIPERAZINE, N-AMINOETHYL-|UN 2815|UNII-I86052F9F6|935701-76-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021997
ERPathway2016 ERPathway2016_416 1-(2-Aminoethyl)piperazine 140-31-8 DTXSID2021997 R8 ER Pathway Model, Agonist Model Score 0.0078 Unitless NCCN1CCNCC1 1-(2-Aminoethyl)piperazine 140-31-8|1-(2-Aminoethyl)piperazine|1-(2-Aminomethyl)piperazine|1-(b-Aminoethyl)piperazine|1-Aminoethylpiperazine|1-Piperazineethanamine|1-Piperazineethylamine|2-(1-Piperazinyl)ethanamine|2-(1-Piperazinyl)ethylamine|2-piperazin-1-iletilamina|2-Piperazin-1-ylethylamin|2-Piperazin-1-ylethylamine|2-piperazine-1-ylethylamine|2-Piperazinylethylamine|4-(2-Aminoethyl)piperazine|5-23-01-00257|Ancamine AEP|BRN 0104363|EINECS 205-411-0|N-(2-AMINOAETHYL)-PIPERAZIN|N-(2-Aminoethyl)piperazine|N-(beta-Aminoethyl)piperazine|N-(b-Aminoethyl)piperazine|N-aminoethyl piperazine|NSC 38968|Piperazine, 1-(2-aminoethyl)-|PIPERAZINE, N-AMINOETHYL-|UN 2815|UNII-I86052F9F6|935701-76-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021997
ERPathway2016 ERPathway2016_416 1-(2-Aminoethyl)piperazine 140-31-8 DTXSID2021997 R8 ER Pathway Model, Antagonist Model Score 0 Unitless NCCN1CCNCC1 1-(2-Aminoethyl)piperazine 140-31-8|1-(2-Aminoethyl)piperazine|1-(2-Aminomethyl)piperazine|1-(b-Aminoethyl)piperazine|1-Aminoethylpiperazine|1-Piperazineethanamine|1-Piperazineethylamine|2-(1-Piperazinyl)ethanamine|2-(1-Piperazinyl)ethylamine|2-piperazin-1-iletilamina|2-Piperazin-1-ylethylamin|2-Piperazin-1-ylethylamine|2-piperazine-1-ylethylamine|2-Piperazinylethylamine|4-(2-Aminoethyl)piperazine|5-23-01-00257|Ancamine AEP|BRN 0104363|EINECS 205-411-0|N-(2-AMINOAETHYL)-PIPERAZIN|N-(2-Aminoethyl)piperazine|N-(beta-Aminoethyl)piperazine|N-(b-Aminoethyl)piperazine|N-aminoethyl piperazine|NSC 38968|Piperazine, 1-(2-aminoethyl)-|PIPERAZINE, N-AMINOETHYL-|UN 2815|UNII-I86052F9F6|935701-76-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021997
ERPathway2016 ERPathway2016_416 1-(2-Aminoethyl)piperazine 140-31-8 DTXSID2021997 R8 ER Pathway Model, Agonist Call Inactive Unitless NCCN1CCNCC1 1-(2-Aminoethyl)piperazine 140-31-8|1-(2-Aminoethyl)piperazine|1-(2-Aminomethyl)piperazine|1-(b-Aminoethyl)piperazine|1-Aminoethylpiperazine|1-Piperazineethanamine|1-Piperazineethylamine|2-(1-Piperazinyl)ethanamine|2-(1-Piperazinyl)ethylamine|2-piperazin-1-iletilamina|2-Piperazin-1-ylethylamin|2-Piperazin-1-ylethylamine|2-piperazine-1-ylethylamine|2-Piperazinylethylamine|4-(2-Aminoethyl)piperazine|5-23-01-00257|Ancamine AEP|BRN 0104363|EINECS 205-411-0|N-(2-AMINOAETHYL)-PIPERAZIN|N-(2-Aminoethyl)piperazine|N-(beta-Aminoethyl)piperazine|N-(b-Aminoethyl)piperazine|N-aminoethyl piperazine|NSC 38968|Piperazine, 1-(2-aminoethyl)-|PIPERAZINE, N-AMINOETHYL-|UN 2815|UNII-I86052F9F6|935701-76-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021997
ERPathway2016 ERPathway2016_416 1-(2-Aminoethyl)piperazine 140-31-8 DTXSID2021997 R8 ER Pathway Model, Antagonist Call Active Unitless NCCN1CCNCC1 1-(2-Aminoethyl)piperazine 140-31-8|1-(2-Aminoethyl)piperazine|1-(2-Aminomethyl)piperazine|1-(b-Aminoethyl)piperazine|1-Aminoethylpiperazine|1-Piperazineethanamine|1-Piperazineethylamine|2-(1-Piperazinyl)ethanamine|2-(1-Piperazinyl)ethylamine|2-piperazin-1-iletilamina|2-Piperazin-1-ylethylamin|2-Piperazin-1-ylethylamine|2-piperazine-1-ylethylamine|2-Piperazinylethylamine|4-(2-Aminoethyl)piperazine|5-23-01-00257|Ancamine AEP|BRN 0104363|EINECS 205-411-0|N-(2-AMINOAETHYL)-PIPERAZIN|N-(2-Aminoethyl)piperazine|N-(beta-Aminoethyl)piperazine|N-(b-Aminoethyl)piperazine|N-aminoethyl piperazine|NSC 38968|Piperazine, 1-(2-aminoethyl)-|PIPERAZINE, N-AMINOETHYL-|UN 2815|UNII-I86052F9F6|935701-76-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021997
ARPathway2016 ARPathway2016_302 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8 DTXSID7041097 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 36.68694697 uM CCC(C)N(C)C(=O)C1=CC2=C(C=CC=C2)C(=N1)C1=CC=CC=C1Cl 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|BRN 4264456|N-(Butan-2-yl)-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide|PK 11195|PK-11195|PK11195|RP 52028|85340-56-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041097
ARPathway2016 ARPathway2016_302 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8 DTXSID7041097 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 44.582618504049 uM CCC(C)N(C)C(=O)C1=CC2=C(C=CC=C2)C(=N1)C1=CC=CC=C1Cl 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|BRN 4264456|N-(Butan-2-yl)-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide|PK 11195|PK-11195|PK11195|RP 52028|85340-56-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041097
ARPathway2016 ARPathway2016_302 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8 DTXSID7041097 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.059 Unitless CCC(C)N(C)C(=O)C1=CC2=C(C=CC=C2)C(=N1)C1=CC=CC=C1Cl 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|BRN 4264456|N-(Butan-2-yl)-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide|PK 11195|PK-11195|PK11195|RP 52028|85340-56-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041097
ARPathway2016 ARPathway2016_302 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8 DTXSID7041097 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)N(C)C(=O)C1=CC2=C(C=CC=C2)C(=N1)C1=CC=CC=C1Cl 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|BRN 4264456|N-(Butan-2-yl)-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide|PK 11195|PK-11195|PK11195|RP 52028|85340-56-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041097
ARPathway2016 ARPathway2016_302 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8 DTXSID7041097 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCC(C)N(C)C(=O)C1=CC2=C(C=CC=C2)C(=N1)C1=CC=CC=C1Cl 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|BRN 4264456|N-(Butan-2-yl)-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide|PK 11195|PK-11195|PK11195|RP 52028|85340-56-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041097
ARPathway2016 ARPathway2016_302 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8 DTXSID7041097 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)N(C)C(=O)C1=CC2=C(C=CC=C2)C(=N1)C1=CC=CC=C1Cl 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|BRN 4264456|N-(Butan-2-yl)-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide|PK 11195|PK-11195|PK11195|RP 52028|85340-56-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041097
ERPathway2016 ERPathway2016_1706 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8 DTXSID7041097 ER Pathway Model, Agonist Model Score 0 Unitless CCC(C)N(C)C(=O)C1=CC2=C(C=CC=C2)C(=N1)C1=CC=CC=C1Cl 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|BRN 4264456|N-(Butan-2-yl)-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide|PK 11195|PK-11195|PK11195|RP 52028|85340-56-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041097
ERPathway2016 ERPathway2016_1706 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8 DTXSID7041097 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)N(C)C(=O)C1=CC2=C(C=CC=C2)C(=N1)C1=CC=CC=C1Cl 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|BRN 4264456|N-(Butan-2-yl)-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide|PK 11195|PK-11195|PK11195|RP 52028|85340-56-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041097
ERPathway2016 ERPathway2016_1706 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8 DTXSID7041097 ER Pathway Model, Agonist Call Inactive Unitless CCC(C)N(C)C(=O)C1=CC2=C(C=CC=C2)C(=N1)C1=CC=CC=C1Cl 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|BRN 4264456|N-(Butan-2-yl)-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide|PK 11195|PK-11195|PK11195|RP 52028|85340-56-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041097
ERPathway2016 ERPathway2016_1706 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8 DTXSID7041097 ER Pathway Model, Antagonist Call Inactive Unitless CCC(C)N(C)C(=O)C1=CC2=C(C=CC=C2)C(=N1)C1=CC=CC=C1Cl 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide 85532-75-8|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide|BRN 4264456|N-(Butan-2-yl)-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide|PK 11195|PK-11195|PK11195|RP 52028|85340-56-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041097
ARPathway2016 ARPathway2016_1266 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7 DTXSID6028022 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless BrCC1=CC=CC(OC2=CC=CC=C2)=C1 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7|1-(Bromomethyl)-3-phenoxybenzene|3-Phenoxybenzyl bromide|alpha-Bromo-3-phenoxytoluene|Benzene, 1-(bromomethyl)-3-phenoxy-|EINECS 257-327-9|m-(Bromomethyl)phenyl phenyl ether|m-Phenoxybenzyl bromide https://comptox.epa.gov/dashboard/chemical/details/DTXSID6028022
ARPathway2016 ARPathway2016_1266 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7 DTXSID6028022 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless BrCC1=CC=CC(OC2=CC=CC=C2)=C1 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7|1-(Bromomethyl)-3-phenoxybenzene|3-Phenoxybenzyl bromide|alpha-Bromo-3-phenoxytoluene|Benzene, 1-(bromomethyl)-3-phenoxy-|EINECS 257-327-9|m-(Bromomethyl)phenyl phenyl ether|m-Phenoxybenzyl bromide https://comptox.epa.gov/dashboard/chemical/details/DTXSID6028022
ARPathway2016 ARPathway2016_1266 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7 DTXSID6028022 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Inactive Unitless BrCC1=CC=CC(OC2=CC=CC=C2)=C1 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7|1-(Bromomethyl)-3-phenoxybenzene|3-Phenoxybenzyl bromide|alpha-Bromo-3-phenoxytoluene|Benzene, 1-(bromomethyl)-3-phenoxy-|EINECS 257-327-9|m-(Bromomethyl)phenyl phenyl ether|m-Phenoxybenzyl bromide https://comptox.epa.gov/dashboard/chemical/details/DTXSID6028022
ARPathway2016 ARPathway2016_1266 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7 DTXSID6028022 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless BrCC1=CC=CC(OC2=CC=CC=C2)=C1 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7|1-(Bromomethyl)-3-phenoxybenzene|3-Phenoxybenzyl bromide|alpha-Bromo-3-phenoxytoluene|Benzene, 1-(bromomethyl)-3-phenoxy-|EINECS 257-327-9|m-(Bromomethyl)phenyl phenyl ether|m-Phenoxybenzyl bromide https://comptox.epa.gov/dashboard/chemical/details/DTXSID6028022
ERPathway2016 ERPathway2016_267 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7 DTXSID6028022 ER Pathway Model, Antagonist AC50 56.6286313372567 uM BrCC1=CC=CC(OC2=CC=CC=C2)=C1 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7|1-(Bromomethyl)-3-phenoxybenzene|3-Phenoxybenzyl bromide|alpha-Bromo-3-phenoxytoluene|Benzene, 1-(bromomethyl)-3-phenoxy-|EINECS 257-327-9|m-(Bromomethyl)phenyl phenyl ether|m-Phenoxybenzyl bromide https://comptox.epa.gov/dashboard/chemical/details/DTXSID6028022
ERPathway2016 ERPathway2016_267 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7 DTXSID6028022 ER Pathway Model, Antagonist ACC 29.0135792108344 uM BrCC1=CC=CC(OC2=CC=CC=C2)=C1 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7|1-(Bromomethyl)-3-phenoxybenzene|3-Phenoxybenzyl bromide|alpha-Bromo-3-phenoxytoluene|Benzene, 1-(bromomethyl)-3-phenoxy-|EINECS 257-327-9|m-(Bromomethyl)phenyl phenyl ether|m-Phenoxybenzyl bromide https://comptox.epa.gov/dashboard/chemical/details/DTXSID6028022
ERPathway2016 ERPathway2016_267 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7 DTXSID6028022 ER Pathway Model, Agonist Model Score 0.0607 Unitless BrCC1=CC=CC(OC2=CC=CC=C2)=C1 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7|1-(Bromomethyl)-3-phenoxybenzene|3-Phenoxybenzyl bromide|alpha-Bromo-3-phenoxytoluene|Benzene, 1-(bromomethyl)-3-phenoxy-|EINECS 257-327-9|m-(Bromomethyl)phenyl phenyl ether|m-Phenoxybenzyl bromide https://comptox.epa.gov/dashboard/chemical/details/DTXSID6028022
ERPathway2016 ERPathway2016_267 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7 DTXSID6028022 ER Pathway Model, Antagonist Model Score 0 Unitless BrCC1=CC=CC(OC2=CC=CC=C2)=C1 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7|1-(Bromomethyl)-3-phenoxybenzene|3-Phenoxybenzyl bromide|alpha-Bromo-3-phenoxytoluene|Benzene, 1-(bromomethyl)-3-phenoxy-|EINECS 257-327-9|m-(Bromomethyl)phenyl phenyl ether|m-Phenoxybenzyl bromide https://comptox.epa.gov/dashboard/chemical/details/DTXSID6028022
ERPathway2016 ERPathway2016_267 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7 DTXSID6028022 ER Pathway Model, Agonist Call Inactive Unitless BrCC1=CC=CC(OC2=CC=CC=C2)=C1 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7|1-(Bromomethyl)-3-phenoxybenzene|3-Phenoxybenzyl bromide|alpha-Bromo-3-phenoxytoluene|Benzene, 1-(bromomethyl)-3-phenoxy-|EINECS 257-327-9|m-(Bromomethyl)phenyl phenyl ether|m-Phenoxybenzyl bromide https://comptox.epa.gov/dashboard/chemical/details/DTXSID6028022
ERPathway2016 ERPathway2016_267 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7 DTXSID6028022 ER Pathway Model, Antagonist Call Active Unitless BrCC1=CC=CC(OC2=CC=CC=C2)=C1 1-(Bromomethyl)-3-phenoxybenzene 51632-16-7|1-(Bromomethyl)-3-phenoxybenzene|3-Phenoxybenzyl bromide|alpha-Bromo-3-phenoxytoluene|Benzene, 1-(bromomethyl)-3-phenoxy-|EINECS 257-327-9|m-(Bromomethyl)phenyl phenyl ether|m-Phenoxybenzyl bromide https://comptox.epa.gov/dashboard/chemical/details/DTXSID6028022
ARPathway2016 ARPathway2016_633 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6 DTXSID6035152 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)N(CO)C(=O)NC1=O 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6|1-(Hydroxymethyl)-5,5-dimethylhydantoin|2,4-Imidazolidinedione, 1-(hydroxymethyl)-5,5-dimethyl-|EINECS 204-132-1|GlycoServe|MDM Hydantoin|NSC 9185|UNII-5CW1VP51HL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6035152
ARPathway2016 ARPathway2016_633 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6 DTXSID6035152 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)N(CO)C(=O)NC1=O 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6|1-(Hydroxymethyl)-5,5-dimethylhydantoin|2,4-Imidazolidinedione, 1-(hydroxymethyl)-5,5-dimethyl-|EINECS 204-132-1|GlycoServe|MDM Hydantoin|NSC 9185|UNII-5CW1VP51HL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6035152
ARPathway2016 ARPathway2016_633 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6 DTXSID6035152 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)N(CO)C(=O)NC1=O 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6|1-(Hydroxymethyl)-5,5-dimethylhydantoin|2,4-Imidazolidinedione, 1-(hydroxymethyl)-5,5-dimethyl-|EINECS 204-132-1|GlycoServe|MDM Hydantoin|NSC 9185|UNII-5CW1VP51HL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6035152
ARPathway2016 ARPathway2016_633 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6 DTXSID6035152 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)N(CO)C(=O)NC1=O 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6|1-(Hydroxymethyl)-5,5-dimethylhydantoin|2,4-Imidazolidinedione, 1-(hydroxymethyl)-5,5-dimethyl-|EINECS 204-132-1|GlycoServe|MDM Hydantoin|NSC 9185|UNII-5CW1VP51HL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6035152
ERPathway2016 ERPathway2016_401 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6 DTXSID6035152 ER Pathway Model, Antagonist AC50 51.2106185570303 uM CC1(C)N(CO)C(=O)NC1=O 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6|1-(Hydroxymethyl)-5,5-dimethylhydantoin|2,4-Imidazolidinedione, 1-(hydroxymethyl)-5,5-dimethyl-|EINECS 204-132-1|GlycoServe|MDM Hydantoin|NSC 9185|UNII-5CW1VP51HL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6035152
ERPathway2016 ERPathway2016_401 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6 DTXSID6035152 ER Pathway Model, Antagonist ACC 67.2149486931098 uM CC1(C)N(CO)C(=O)NC1=O 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6|1-(Hydroxymethyl)-5,5-dimethylhydantoin|2,4-Imidazolidinedione, 1-(hydroxymethyl)-5,5-dimethyl-|EINECS 204-132-1|GlycoServe|MDM Hydantoin|NSC 9185|UNII-5CW1VP51HL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6035152
ERPathway2016 ERPathway2016_401 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6 DTXSID6035152 ER Pathway Model, Agonist Model Score 0.00936 Unitless CC1(C)N(CO)C(=O)NC1=O 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6|1-(Hydroxymethyl)-5,5-dimethylhydantoin|2,4-Imidazolidinedione, 1-(hydroxymethyl)-5,5-dimethyl-|EINECS 204-132-1|GlycoServe|MDM Hydantoin|NSC 9185|UNII-5CW1VP51HL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6035152
ERPathway2016 ERPathway2016_401 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6 DTXSID6035152 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)N(CO)C(=O)NC1=O 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6|1-(Hydroxymethyl)-5,5-dimethylhydantoin|2,4-Imidazolidinedione, 1-(hydroxymethyl)-5,5-dimethyl-|EINECS 204-132-1|GlycoServe|MDM Hydantoin|NSC 9185|UNII-5CW1VP51HL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6035152
ERPathway2016 ERPathway2016_401 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6 DTXSID6035152 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)N(CO)C(=O)NC1=O 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6|1-(Hydroxymethyl)-5,5-dimethylhydantoin|2,4-Imidazolidinedione, 1-(hydroxymethyl)-5,5-dimethyl-|EINECS 204-132-1|GlycoServe|MDM Hydantoin|NSC 9185|UNII-5CW1VP51HL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6035152
ERPathway2016 ERPathway2016_401 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6 DTXSID6035152 ER Pathway Model, Antagonist Call Active Unitless CC1(C)N(CO)C(=O)NC1=O 1-(Hydroxymethyl)-5,5-dimethylhydantoin 116-25-6|1-(Hydroxymethyl)-5,5-dimethylhydantoin|2,4-Imidazolidinedione, 1-(hydroxymethyl)-5,5-dimethyl-|EINECS 204-132-1|GlycoServe|MDM Hydantoin|NSC 9185|UNII-5CW1VP51HL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6035152
ARPathway2016 ARPathway2016_677 1, 2- Benzenediol 120-80-9 DTXSID3020257 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=C(O)C=CC=C1 1, 2- Benzenediol 120-80-9|1, 2- Benzenediol|1,2-Benzoldiol|1,2-Dihydroxybenzene|1,2-Hydroxybenzene|2-Hydroxyphenol|204-427-5|alpha-hydroxyphenol|benzene-1,2-diol|Benzene, o-dihydroxy-|Brenzcatechin|BRN 0471401|C.I. Oxidation Base 26|Catechol|CI Oxidation Base 26|Durafur Developer C|EC No.: 204-427-5|EINECS 204-427-5|Fouramine PCH|Fourrine 68|Katechol|NCI-C55856|NSC 1573|o-Benzenediol|o-Dihydroxybenzene|o-Dioxybenzene|o-Diphenol|o-Hydroquinone|o-Hydroxyphenol|o-Phenylenediol|ortho-Benzenediol|ortho-Dihydroxybenzene|ortho-Dioxybenzene|ortho-Hydroquinone|ortho-Hydroxyphenol|ortho-Phenylenediol|Oxyphenate|Oxyphenic acid|Pelagol Grey C|Phthalhydroquinone|Phthalic alcohol|pirocatecol|PYROCATECHIN|Pyrocatechine|Pyrocatechinic acid|Pyrocatechol|Pyrokatechin|Pyrokatechol|UN 2811|UNII-LF3AJ089DQ|Z 1|Z 1 (inhibitor)|16474-89-8|16474-90-1|37349-32-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020257
ARPathway2016 ARPathway2016_677 1, 2- Benzenediol 120-80-9 DTXSID3020257 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1=C(O)C=CC=C1 1, 2- Benzenediol 120-80-9|1, 2- Benzenediol|1,2-Benzoldiol|1,2-Dihydroxybenzene|1,2-Hydroxybenzene|2-Hydroxyphenol|204-427-5|alpha-hydroxyphenol|benzene-1,2-diol|Benzene, o-dihydroxy-|Brenzcatechin|BRN 0471401|C.I. Oxidation Base 26|Catechol|CI Oxidation Base 26|Durafur Developer C|EC No.: 204-427-5|EINECS 204-427-5|Fouramine PCH|Fourrine 68|Katechol|NCI-C55856|NSC 1573|o-Benzenediol|o-Dihydroxybenzene|o-Dioxybenzene|o-Diphenol|o-Hydroquinone|o-Hydroxyphenol|o-Phenylenediol|ortho-Benzenediol|ortho-Dihydroxybenzene|ortho-Dioxybenzene|ortho-Hydroquinone|ortho-Hydroxyphenol|ortho-Phenylenediol|Oxyphenate|Oxyphenic acid|Pelagol Grey C|Phthalhydroquinone|Phthalic alcohol|pirocatecol|PYROCATECHIN|Pyrocatechine|Pyrocatechinic acid|Pyrocatechol|Pyrokatechin|Pyrokatechol|UN 2811|UNII-LF3AJ089DQ|Z 1|Z 1 (inhibitor)|16474-89-8|16474-90-1|37349-32-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020257
ARPathway2016 ARPathway2016_677 1, 2- Benzenediol 120-80-9 DTXSID3020257 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1=C(O)C=CC=C1 1, 2- Benzenediol 120-80-9|1, 2- Benzenediol|1,2-Benzoldiol|1,2-Dihydroxybenzene|1,2-Hydroxybenzene|2-Hydroxyphenol|204-427-5|alpha-hydroxyphenol|benzene-1,2-diol|Benzene, o-dihydroxy-|Brenzcatechin|BRN 0471401|C.I. Oxidation Base 26|Catechol|CI Oxidation Base 26|Durafur Developer C|EC No.: 204-427-5|EINECS 204-427-5|Fouramine PCH|Fourrine 68|Katechol|NCI-C55856|NSC 1573|o-Benzenediol|o-Dihydroxybenzene|o-Dioxybenzene|o-Diphenol|o-Hydroquinone|o-Hydroxyphenol|o-Phenylenediol|ortho-Benzenediol|ortho-Dihydroxybenzene|ortho-Dioxybenzene|ortho-Hydroquinone|ortho-Hydroxyphenol|ortho-Phenylenediol|Oxyphenate|Oxyphenic acid|Pelagol Grey C|Phthalhydroquinone|Phthalic alcohol|pirocatecol|PYROCATECHIN|Pyrocatechine|Pyrocatechinic acid|Pyrocatechol|Pyrokatechin|Pyrokatechol|UN 2811|UNII-LF3AJ089DQ|Z 1|Z 1 (inhibitor)|16474-89-8|16474-90-1|37349-32-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020257
ARPathway2016 ARPathway2016_677 1, 2- Benzenediol 120-80-9 DTXSID3020257 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(O)C=CC=C1 1, 2- Benzenediol 120-80-9|1, 2- Benzenediol|1,2-Benzoldiol|1,2-Dihydroxybenzene|1,2-Hydroxybenzene|2-Hydroxyphenol|204-427-5|alpha-hydroxyphenol|benzene-1,2-diol|Benzene, o-dihydroxy-|Brenzcatechin|BRN 0471401|C.I. Oxidation Base 26|Catechol|CI Oxidation Base 26|Durafur Developer C|EC No.: 204-427-5|EINECS 204-427-5|Fouramine PCH|Fourrine 68|Katechol|NCI-C55856|NSC 1573|o-Benzenediol|o-Dihydroxybenzene|o-Dioxybenzene|o-Diphenol|o-Hydroquinone|o-Hydroxyphenol|o-Phenylenediol|ortho-Benzenediol|ortho-Dihydroxybenzene|ortho-Dioxybenzene|ortho-Hydroquinone|ortho-Hydroxyphenol|ortho-Phenylenediol|Oxyphenate|Oxyphenic acid|Pelagol Grey C|Phthalhydroquinone|Phthalic alcohol|pirocatecol|PYROCATECHIN|Pyrocatechine|Pyrocatechinic acid|Pyrocatechol|Pyrokatechin|Pyrokatechol|UN 2811|UNII-LF3AJ089DQ|Z 1|Z 1 (inhibitor)|16474-89-8|16474-90-1|37349-32-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020257
ERPathway2016 ERPathway2016_365 1, 2- Benzenediol 120-80-9 DTXSID3020257 ER Pathway Model, Antagonist AC50 67.2960144673864 uM OC1=C(O)C=CC=C1 1, 2- Benzenediol 120-80-9|1, 2- Benzenediol|1,2-Benzoldiol|1,2-Dihydroxybenzene|1,2-Hydroxybenzene|2-Hydroxyphenol|204-427-5|alpha-hydroxyphenol|benzene-1,2-diol|Benzene, o-dihydroxy-|Brenzcatechin|BRN 0471401|C.I. Oxidation Base 26|Catechol|CI Oxidation Base 26|Durafur Developer C|EC No.: 204-427-5|EINECS 204-427-5|Fouramine PCH|Fourrine 68|Katechol|NCI-C55856|NSC 1573|o-Benzenediol|o-Dihydroxybenzene|o-Dioxybenzene|o-Diphenol|o-Hydroquinone|o-Hydroxyphenol|o-Phenylenediol|ortho-Benzenediol|ortho-Dihydroxybenzene|ortho-Dioxybenzene|ortho-Hydroquinone|ortho-Hydroxyphenol|ortho-Phenylenediol|Oxyphenate|Oxyphenic acid|Pelagol Grey C|Phthalhydroquinone|Phthalic alcohol|pirocatecol|PYROCATECHIN|Pyrocatechine|Pyrocatechinic acid|Pyrocatechol|Pyrokatechin|Pyrokatechol|UN 2811|UNII-LF3AJ089DQ|Z 1|Z 1 (inhibitor)|16474-89-8|16474-90-1|37349-32-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020257
ERPathway2016 ERPathway2016_365 1, 2- Benzenediol 120-80-9 DTXSID3020257 ER Pathway Model, Antagonist ACC 51.9007496249091 uM OC1=C(O)C=CC=C1 1, 2- Benzenediol 120-80-9|1, 2- Benzenediol|1,2-Benzoldiol|1,2-Dihydroxybenzene|1,2-Hydroxybenzene|2-Hydroxyphenol|204-427-5|alpha-hydroxyphenol|benzene-1,2-diol|Benzene, o-dihydroxy-|Brenzcatechin|BRN 0471401|C.I. Oxidation Base 26|Catechol|CI Oxidation Base 26|Durafur Developer C|EC No.: 204-427-5|EINECS 204-427-5|Fouramine PCH|Fourrine 68|Katechol|NCI-C55856|NSC 1573|o-Benzenediol|o-Dihydroxybenzene|o-Dioxybenzene|o-Diphenol|o-Hydroquinone|o-Hydroxyphenol|o-Phenylenediol|ortho-Benzenediol|ortho-Dihydroxybenzene|ortho-Dioxybenzene|ortho-Hydroquinone|ortho-Hydroxyphenol|ortho-Phenylenediol|Oxyphenate|Oxyphenic acid|Pelagol Grey C|Phthalhydroquinone|Phthalic alcohol|pirocatecol|PYROCATECHIN|Pyrocatechine|Pyrocatechinic acid|Pyrocatechol|Pyrokatechin|Pyrokatechol|UN 2811|UNII-LF3AJ089DQ|Z 1|Z 1 (inhibitor)|16474-89-8|16474-90-1|37349-32-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020257
ERPathway2016 ERPathway2016_365 1, 2- Benzenediol 120-80-9 DTXSID3020257 ER Pathway Model, Agonist Model Score 0.0155 Unitless OC1=C(O)C=CC=C1 1, 2- Benzenediol 120-80-9|1, 2- Benzenediol|1,2-Benzoldiol|1,2-Dihydroxybenzene|1,2-Hydroxybenzene|2-Hydroxyphenol|204-427-5|alpha-hydroxyphenol|benzene-1,2-diol|Benzene, o-dihydroxy-|Brenzcatechin|BRN 0471401|C.I. Oxidation Base 26|Catechol|CI Oxidation Base 26|Durafur Developer C|EC No.: 204-427-5|EINECS 204-427-5|Fouramine PCH|Fourrine 68|Katechol|NCI-C55856|NSC 1573|o-Benzenediol|o-Dihydroxybenzene|o-Dioxybenzene|o-Diphenol|o-Hydroquinone|o-Hydroxyphenol|o-Phenylenediol|ortho-Benzenediol|ortho-Dihydroxybenzene|ortho-Dioxybenzene|ortho-Hydroquinone|ortho-Hydroxyphenol|ortho-Phenylenediol|Oxyphenate|Oxyphenic acid|Pelagol Grey C|Phthalhydroquinone|Phthalic alcohol|pirocatecol|PYROCATECHIN|Pyrocatechine|Pyrocatechinic acid|Pyrocatechol|Pyrokatechin|Pyrokatechol|UN 2811|UNII-LF3AJ089DQ|Z 1|Z 1 (inhibitor)|16474-89-8|16474-90-1|37349-32-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020257
ERPathway2016 ERPathway2016_365 1, 2- Benzenediol 120-80-9 DTXSID3020257 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C(O)C=CC=C1 1, 2- Benzenediol 120-80-9|1, 2- Benzenediol|1,2-Benzoldiol|1,2-Dihydroxybenzene|1,2-Hydroxybenzene|2-Hydroxyphenol|204-427-5|alpha-hydroxyphenol|benzene-1,2-diol|Benzene, o-dihydroxy-|Brenzcatechin|BRN 0471401|C.I. Oxidation Base 26|Catechol|CI Oxidation Base 26|Durafur Developer C|EC No.: 204-427-5|EINECS 204-427-5|Fouramine PCH|Fourrine 68|Katechol|NCI-C55856|NSC 1573|o-Benzenediol|o-Dihydroxybenzene|o-Dioxybenzene|o-Diphenol|o-Hydroquinone|o-Hydroxyphenol|o-Phenylenediol|ortho-Benzenediol|ortho-Dihydroxybenzene|ortho-Dioxybenzene|ortho-Hydroquinone|ortho-Hydroxyphenol|ortho-Phenylenediol|Oxyphenate|Oxyphenic acid|Pelagol Grey C|Phthalhydroquinone|Phthalic alcohol|pirocatecol|PYROCATECHIN|Pyrocatechine|Pyrocatechinic acid|Pyrocatechol|Pyrokatechin|Pyrokatechol|UN 2811|UNII-LF3AJ089DQ|Z 1|Z 1 (inhibitor)|16474-89-8|16474-90-1|37349-32-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020257
ERPathway2016 ERPathway2016_365 1, 2- Benzenediol 120-80-9 DTXSID3020257 ER Pathway Model, Agonist Call Inactive Unitless OC1=C(O)C=CC=C1 1, 2- Benzenediol 120-80-9|1, 2- Benzenediol|1,2-Benzoldiol|1,2-Dihydroxybenzene|1,2-Hydroxybenzene|2-Hydroxyphenol|204-427-5|alpha-hydroxyphenol|benzene-1,2-diol|Benzene, o-dihydroxy-|Brenzcatechin|BRN 0471401|C.I. Oxidation Base 26|Catechol|CI Oxidation Base 26|Durafur Developer C|EC No.: 204-427-5|EINECS 204-427-5|Fouramine PCH|Fourrine 68|Katechol|NCI-C55856|NSC 1573|o-Benzenediol|o-Dihydroxybenzene|o-Dioxybenzene|o-Diphenol|o-Hydroquinone|o-Hydroxyphenol|o-Phenylenediol|ortho-Benzenediol|ortho-Dihydroxybenzene|ortho-Dioxybenzene|ortho-Hydroquinone|ortho-Hydroxyphenol|ortho-Phenylenediol|Oxyphenate|Oxyphenic acid|Pelagol Grey C|Phthalhydroquinone|Phthalic alcohol|pirocatecol|PYROCATECHIN|Pyrocatechine|Pyrocatechinic acid|Pyrocatechol|Pyrokatechin|Pyrokatechol|UN 2811|UNII-LF3AJ089DQ|Z 1|Z 1 (inhibitor)|16474-89-8|16474-90-1|37349-32-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020257
ERPathway2016 ERPathway2016_365 1, 2- Benzenediol 120-80-9 DTXSID3020257 ER Pathway Model, Antagonist Call Active Unitless OC1=C(O)C=CC=C1 1, 2- Benzenediol 120-80-9|1, 2- Benzenediol|1,2-Benzoldiol|1,2-Dihydroxybenzene|1,2-Hydroxybenzene|2-Hydroxyphenol|204-427-5|alpha-hydroxyphenol|benzene-1,2-diol|Benzene, o-dihydroxy-|Brenzcatechin|BRN 0471401|C.I. Oxidation Base 26|Catechol|CI Oxidation Base 26|Durafur Developer C|EC No.: 204-427-5|EINECS 204-427-5|Fouramine PCH|Fourrine 68|Katechol|NCI-C55856|NSC 1573|o-Benzenediol|o-Dihydroxybenzene|o-Dioxybenzene|o-Diphenol|o-Hydroquinone|o-Hydroxyphenol|o-Phenylenediol|ortho-Benzenediol|ortho-Dihydroxybenzene|ortho-Dioxybenzene|ortho-Hydroquinone|ortho-Hydroxyphenol|ortho-Phenylenediol|Oxyphenate|Oxyphenic acid|Pelagol Grey C|Phthalhydroquinone|Phthalic alcohol|pirocatecol|PYROCATECHIN|Pyrocatechine|Pyrocatechinic acid|Pyrocatechol|Pyrokatechin|Pyrokatechol|UN 2811|UNII-LF3AJ089DQ|Z 1|Z 1 (inhibitor)|16474-89-8|16474-90-1|37349-32-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020257
ARPathway2016 ARPathway2016_424 1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol) 102-60-3 DTXSID9026689 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O 1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol) 102-60-3|1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol)|1,1',1'',1'''-(Ethane-1,2-diyldinitrilo)tetrapropan-2-ol|1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol)|2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-|2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-|4-04-00-01685|Adeka Quadrol|BRN 1781143|Edetol|Edetolum|EINECS 203-041-4|ENTPROL|N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine|N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine|NSC 369219|Quadrol|Quadrol L|UNII-Q4R969U9FR|1087406-22-1|118549-63-6|139352-19-5|61702-85-0|70992-50-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026689
ARPathway2016 ARPathway2016_424 1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol) 102-60-3 DTXSID9026689 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O 1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol) 102-60-3|1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol)|1,1',1'',1'''-(Ethane-1,2-diyldinitrilo)tetrapropan-2-ol|1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol)|2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-|2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-|4-04-00-01685|Adeka Quadrol|BRN 1781143|Edetol|Edetolum|EINECS 203-041-4|ENTPROL|N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine|N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine|NSC 369219|Quadrol|Quadrol L|UNII-Q4R969U9FR|1087406-22-1|118549-63-6|139352-19-5|61702-85-0|70992-50-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026689
ARPathway2016 ARPathway2016_424 1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol) 102-60-3 DTXSID9026689 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O 1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol) 102-60-3|1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol)|1,1',1'',1'''-(Ethane-1,2-diyldinitrilo)tetrapropan-2-ol|1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol)|2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-|2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-|4-04-00-01685|Adeka Quadrol|BRN 1781143|Edetol|Edetolum|EINECS 203-041-4|ENTPROL|N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine|N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine|NSC 369219|Quadrol|Quadrol L|UNII-Q4R969U9FR|1087406-22-1|118549-63-6|139352-19-5|61702-85-0|70992-50-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026689
ARPathway2016 ARPathway2016_424 1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol) 102-60-3 DTXSID9026689 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O 1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol) 102-60-3|1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol)|1,1',1'',1'''-(Ethane-1,2-diyldinitrilo)tetrapropan-2-ol|1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol)|2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-|2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-|4-04-00-01685|Adeka Quadrol|BRN 1781143|Edetol|Edetolum|EINECS 203-041-4|ENTPROL|N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine|N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine|NSC 369219|Quadrol|Quadrol L|UNII-Q4R969U9FR|1087406-22-1|118549-63-6|139352-19-5|61702-85-0|70992-50-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026689
ERPathway2016 ERPathway2016_882 1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol) 102-60-3 DTXSID9026689 ER Pathway Model, Agonist Model Score 0 Unitless CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O 1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol) 102-60-3|1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol)|1,1',1'',1'''-(Ethane-1,2-diyldinitrilo)tetrapropan-2-ol|1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol)|2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-|2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-|4-04-00-01685|Adeka Quadrol|BRN 1781143|Edetol|Edetolum|EINECS 203-041-4|ENTPROL|N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine|N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine|NSC 369219|Quadrol|Quadrol L|UNII-Q4R969U9FR|1087406-22-1|118549-63-6|139352-19-5|61702-85-0|70992-50-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026689
ERPathway2016 ERPathway2016_882 1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol) 102-60-3 DTXSID9026689 ER Pathway Model, Antagonist Model Score 0 Unitless CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O 1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol) 102-60-3|1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol)|1,1',1'',1'''-(Ethane-1,2-diyldinitrilo)tetrapropan-2-ol|1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol)|2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-|2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-|4-04-00-01685|Adeka Quadrol|BRN 1781143|Edetol|Edetolum|EINECS 203-041-4|ENTPROL|N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine|N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine|NSC 369219|Quadrol|Quadrol L|UNII-Q4R969U9FR|1087406-22-1|118549-63-6|139352-19-5|61702-85-0|70992-50-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026689
ERPathway2016 ERPathway2016_882 1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol) 102-60-3 DTXSID9026689 ER Pathway Model, Agonist Call Inactive Unitless CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O 1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol) 102-60-3|1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol)|1,1',1'',1'''-(Ethane-1,2-diyldinitrilo)tetrapropan-2-ol|1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol)|2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-|2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-|4-04-00-01685|Adeka Quadrol|BRN 1781143|Edetol|Edetolum|EINECS 203-041-4|ENTPROL|N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine|N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine|NSC 369219|Quadrol|Quadrol L|UNII-Q4R969U9FR|1087406-22-1|118549-63-6|139352-19-5|61702-85-0|70992-50-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026689
ERPathway2016 ERPathway2016_882 1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol) 102-60-3 DTXSID9026689 ER Pathway Model, Antagonist Call Inactive Unitless CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O 1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol) 102-60-3|1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol)|1,1',1'',1'''-(Ethane-1,2-diyldinitrilo)tetrapropan-2-ol|1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol)|2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-|2-Propanol, 1,1',1'',1'''-(1,2-ethanediyldinitrilo)tetrakis-|4-04-00-01685|Adeka Quadrol|BRN 1781143|Edetol|Edetolum|EINECS 203-041-4|ENTPROL|N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine|N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine|NSC 369219|Quadrol|Quadrol L|UNII-Q4R969U9FR|1087406-22-1|118549-63-6|139352-19-5|61702-85-0|70992-50-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026689
ARPathway2016 ARPathway2016_956 1,1,1,3,5,5,5-Heptamethyltrisiloxane 1873-88-7 DTXSID1038795 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C[SiH](O[Si](C)(C)C)O[Si](C)(C)C 1,1,1,3,5,5,5-Heptamethyltrisiloxane 1873-88-7|1,1,1,3,5,5,5-Heptamethyltrisiloxane|1,1,1,3,5,5,5-Heptamethylsiloxane|2-Hydro-1,1,1,2,3,3,3-heptamethyltrisiloxane|2,2,4,6,6-Pentamethyl-3,5-dioxa-2,4,6-trisilaheptane|217-496-1|Bis(trimethylsiloxy)methylsilane|Bis(trimethylsilyloxy)methylsilane|EC No.: 217-496-1|EINECS 217-496-1|Heptamethylhydrotrisiloxane|Methylbis(trimethylsiloxy)silane|Methylbis(trimethylsilyloxy)silane|SIB 1844|SIB 1844.0|Trisiloxane, 1,1,1,3,5,5,5-heptamethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038795
ARPathway2016 ARPathway2016_956 1,1,1,3,5,5,5-Heptamethyltrisiloxane 1873-88-7 DTXSID1038795 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C[SiH](O[Si](C)(C)C)O[Si](C)(C)C 1,1,1,3,5,5,5-Heptamethyltrisiloxane 1873-88-7|1,1,1,3,5,5,5-Heptamethyltrisiloxane|1,1,1,3,5,5,5-Heptamethylsiloxane|2-Hydro-1,1,1,2,3,3,3-heptamethyltrisiloxane|2,2,4,6,6-Pentamethyl-3,5-dioxa-2,4,6-trisilaheptane|217-496-1|Bis(trimethylsiloxy)methylsilane|Bis(trimethylsilyloxy)methylsilane|EC No.: 217-496-1|EINECS 217-496-1|Heptamethylhydrotrisiloxane|Methylbis(trimethylsiloxy)silane|Methylbis(trimethylsilyloxy)silane|SIB 1844|SIB 1844.0|Trisiloxane, 1,1,1,3,5,5,5-heptamethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038795
ARPathway2016 ARPathway2016_956 1,1,1,3,5,5,5-Heptamethyltrisiloxane 1873-88-7 DTXSID1038795 0.0 AR Pathway Model, Agonist Call Inactive Unitless C[SiH](O[Si](C)(C)C)O[Si](C)(C)C 1,1,1,3,5,5,5-Heptamethyltrisiloxane 1873-88-7|1,1,1,3,5,5,5-Heptamethyltrisiloxane|1,1,1,3,5,5,5-Heptamethylsiloxane|2-Hydro-1,1,1,2,3,3,3-heptamethyltrisiloxane|2,2,4,6,6-Pentamethyl-3,5-dioxa-2,4,6-trisilaheptane|217-496-1|Bis(trimethylsiloxy)methylsilane|Bis(trimethylsilyloxy)methylsilane|EC No.: 217-496-1|EINECS 217-496-1|Heptamethylhydrotrisiloxane|Methylbis(trimethylsiloxy)silane|Methylbis(trimethylsilyloxy)silane|SIB 1844|SIB 1844.0|Trisiloxane, 1,1,1,3,5,5,5-heptamethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038795
ARPathway2016 ARPathway2016_956 1,1,1,3,5,5,5-Heptamethyltrisiloxane 1873-88-7 DTXSID1038795 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C[SiH](O[Si](C)(C)C)O[Si](C)(C)C 1,1,1,3,5,5,5-Heptamethyltrisiloxane 1873-88-7|1,1,1,3,5,5,5-Heptamethyltrisiloxane|1,1,1,3,5,5,5-Heptamethylsiloxane|2-Hydro-1,1,1,2,3,3,3-heptamethyltrisiloxane|2,2,4,6,6-Pentamethyl-3,5-dioxa-2,4,6-trisilaheptane|217-496-1|Bis(trimethylsiloxy)methylsilane|Bis(trimethylsilyloxy)methylsilane|EC No.: 217-496-1|EINECS 217-496-1|Heptamethylhydrotrisiloxane|Methylbis(trimethylsiloxy)silane|Methylbis(trimethylsilyloxy)silane|SIB 1844|SIB 1844.0|Trisiloxane, 1,1,1,3,5,5,5-heptamethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038795
ERPathway2016 ERPathway2016_1355 1,1,1,3,5,5,5-Heptamethyltrisiloxane 1873-88-7 DTXSID1038795 ER Pathway Model, Agonist Model Score 0 Unitless C[SiH](O[Si](C)(C)C)O[Si](C)(C)C 1,1,1,3,5,5,5-Heptamethyltrisiloxane 1873-88-7|1,1,1,3,5,5,5-Heptamethyltrisiloxane|1,1,1,3,5,5,5-Heptamethylsiloxane|2-Hydro-1,1,1,2,3,3,3-heptamethyltrisiloxane|2,2,4,6,6-Pentamethyl-3,5-dioxa-2,4,6-trisilaheptane|217-496-1|Bis(trimethylsiloxy)methylsilane|Bis(trimethylsilyloxy)methylsilane|EC No.: 217-496-1|EINECS 217-496-1|Heptamethylhydrotrisiloxane|Methylbis(trimethylsiloxy)silane|Methylbis(trimethylsilyloxy)silane|SIB 1844|SIB 1844.0|Trisiloxane, 1,1,1,3,5,5,5-heptamethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038795
ERPathway2016 ERPathway2016_1355 1,1,1,3,5,5,5-Heptamethyltrisiloxane 1873-88-7 DTXSID1038795 ER Pathway Model, Antagonist Model Score 0 Unitless C[SiH](O[Si](C)(C)C)O[Si](C)(C)C 1,1,1,3,5,5,5-Heptamethyltrisiloxane 1873-88-7|1,1,1,3,5,5,5-Heptamethyltrisiloxane|1,1,1,3,5,5,5-Heptamethylsiloxane|2-Hydro-1,1,1,2,3,3,3-heptamethyltrisiloxane|2,2,4,6,6-Pentamethyl-3,5-dioxa-2,4,6-trisilaheptane|217-496-1|Bis(trimethylsiloxy)methylsilane|Bis(trimethylsilyloxy)methylsilane|EC No.: 217-496-1|EINECS 217-496-1|Heptamethylhydrotrisiloxane|Methylbis(trimethylsiloxy)silane|Methylbis(trimethylsilyloxy)silane|SIB 1844|SIB 1844.0|Trisiloxane, 1,1,1,3,5,5,5-heptamethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038795
ERPathway2016 ERPathway2016_1355 1,1,1,3,5,5,5-Heptamethyltrisiloxane 1873-88-7 DTXSID1038795 ER Pathway Model, Agonist Call Inactive Unitless C[SiH](O[Si](C)(C)C)O[Si](C)(C)C 1,1,1,3,5,5,5-Heptamethyltrisiloxane 1873-88-7|1,1,1,3,5,5,5-Heptamethyltrisiloxane|1,1,1,3,5,5,5-Heptamethylsiloxane|2-Hydro-1,1,1,2,3,3,3-heptamethyltrisiloxane|2,2,4,6,6-Pentamethyl-3,5-dioxa-2,4,6-trisilaheptane|217-496-1|Bis(trimethylsiloxy)methylsilane|Bis(trimethylsilyloxy)methylsilane|EC No.: 217-496-1|EINECS 217-496-1|Heptamethylhydrotrisiloxane|Methylbis(trimethylsiloxy)silane|Methylbis(trimethylsilyloxy)silane|SIB 1844|SIB 1844.0|Trisiloxane, 1,1,1,3,5,5,5-heptamethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038795
ERPathway2016 ERPathway2016_1355 1,1,1,3,5,5,5-Heptamethyltrisiloxane 1873-88-7 DTXSID1038795 ER Pathway Model, Antagonist Call Inactive Unitless C[SiH](O[Si](C)(C)C)O[Si](C)(C)C 1,1,1,3,5,5,5-Heptamethyltrisiloxane 1873-88-7|1,1,1,3,5,5,5-Heptamethyltrisiloxane|1,1,1,3,5,5,5-Heptamethylsiloxane|2-Hydro-1,1,1,2,3,3,3-heptamethyltrisiloxane|2,2,4,6,6-Pentamethyl-3,5-dioxa-2,4,6-trisilaheptane|217-496-1|Bis(trimethylsiloxy)methylsilane|Bis(trimethylsilyloxy)methylsilane|EC No.: 217-496-1|EINECS 217-496-1|Heptamethylhydrotrisiloxane|Methylbis(trimethylsiloxy)silane|Methylbis(trimethylsilyloxy)silane|SIB 1844|SIB 1844.0|Trisiloxane, 1,1,1,3,5,5,5-heptamethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038795
ARPathway2016 ARPathway2016_1465 1,10-Phenanthroline 66-71-7 DTXSID1025857 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=C(N=C1)C1=C(C=CC=N1)C=C2 1,10-Phenanthroline 66-71-7|1,10-Phenanthroline|1,10-Fenanthrolin|1,10-fenantrolina|1,10-o-PHENANTHROLINE|1,10-Phenanthrolin|2-Phenanthroline|4,5-Diazaphenanthrene|beta-Phenanthroline|EINECS 200-629-2|NSC 203545|o-Phenanthroline|o-Phenanthroline, monohydrate|Orthophenanthroline|PHENANTHROLINE, (1,10)|PHENANTHROLINE, 1,10-|UNII-W4X6ZO7939|b-Phenanthroline https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025857 https://doi.org/10.22427/NTP-DATA-DTXSID1025857
ARPathway2016 ARPathway2016_1465 1,10-Phenanthroline 66-71-7 DTXSID1025857 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless C1=CC2=C(N=C1)C1=C(C=CC=N1)C=C2 1,10-Phenanthroline 66-71-7|1,10-Phenanthroline|1,10-Fenanthrolin|1,10-fenantrolina|1,10-o-PHENANTHROLINE|1,10-Phenanthrolin|2-Phenanthroline|4,5-Diazaphenanthrene|beta-Phenanthroline|EINECS 200-629-2|NSC 203545|o-Phenanthroline|o-Phenanthroline, monohydrate|Orthophenanthroline|PHENANTHROLINE, (1,10)|PHENANTHROLINE, 1,10-|UNII-W4X6ZO7939|b-Phenanthroline https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025857 https://doi.org/10.22427/NTP-DATA-DTXSID1025857
ARPathway2016 ARPathway2016_1465 1,10-Phenanthroline 66-71-7 DTXSID1025857 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless C1=CC2=C(N=C1)C1=C(C=CC=N1)C=C2 1,10-Phenanthroline 66-71-7|1,10-Phenanthroline|1,10-Fenanthrolin|1,10-fenantrolina|1,10-o-PHENANTHROLINE|1,10-Phenanthrolin|2-Phenanthroline|4,5-Diazaphenanthrene|beta-Phenanthroline|EINECS 200-629-2|NSC 203545|o-Phenanthroline|o-Phenanthroline, monohydrate|Orthophenanthroline|PHENANTHROLINE, (1,10)|PHENANTHROLINE, 1,10-|UNII-W4X6ZO7939|b-Phenanthroline https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025857 https://doi.org/10.22427/NTP-DATA-DTXSID1025857
ARPathway2016 ARPathway2016_1465 1,10-Phenanthroline 66-71-7 DTXSID1025857 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless C1=CC2=C(N=C1)C1=C(C=CC=N1)C=C2 1,10-Phenanthroline 66-71-7|1,10-Phenanthroline|1,10-Fenanthrolin|1,10-fenantrolina|1,10-o-PHENANTHROLINE|1,10-Phenanthrolin|2-Phenanthroline|4,5-Diazaphenanthrene|beta-Phenanthroline|EINECS 200-629-2|NSC 203545|o-Phenanthroline|o-Phenanthroline, monohydrate|Orthophenanthroline|PHENANTHROLINE, (1,10)|PHENANTHROLINE, 1,10-|UNII-W4X6ZO7939|b-Phenanthroline https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025857 https://doi.org/10.22427/NTP-DATA-DTXSID1025857
ERPathway2016 ERPathway2016_556 1,10-Phenanthroline 66-71-7 DTXSID1025857 R9 ER Pathway Model, Agonist Model Score 0 Unitless C1=CC2=C(N=C1)C1=C(C=CC=N1)C=C2 1,10-Phenanthroline 66-71-7|1,10-Phenanthroline|1,10-Fenanthrolin|1,10-fenantrolina|1,10-o-PHENANTHROLINE|1,10-Phenanthrolin|2-Phenanthroline|4,5-Diazaphenanthrene|beta-Phenanthroline|EINECS 200-629-2|NSC 203545|o-Phenanthroline|o-Phenanthroline, monohydrate|Orthophenanthroline|PHENANTHROLINE, (1,10)|PHENANTHROLINE, 1,10-|UNII-W4X6ZO7939|b-Phenanthroline https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025857 https://doi.org/10.22427/NTP-DATA-DTXSID1025857
ERPathway2016 ERPathway2016_556 1,10-Phenanthroline 66-71-7 DTXSID1025857 R9 ER Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=C(N=C1)C1=C(C=CC=N1)C=C2 1,10-Phenanthroline 66-71-7|1,10-Phenanthroline|1,10-Fenanthrolin|1,10-fenantrolina|1,10-o-PHENANTHROLINE|1,10-Phenanthrolin|2-Phenanthroline|4,5-Diazaphenanthrene|beta-Phenanthroline|EINECS 200-629-2|NSC 203545|o-Phenanthroline|o-Phenanthroline, monohydrate|Orthophenanthroline|PHENANTHROLINE, (1,10)|PHENANTHROLINE, 1,10-|UNII-W4X6ZO7939|b-Phenanthroline https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025857 https://doi.org/10.22427/NTP-DATA-DTXSID1025857
ERPathway2016 ERPathway2016_556 1,10-Phenanthroline 66-71-7 DTXSID1025857 R9 ER Pathway Model, Agonist Call Inactive Unitless C1=CC2=C(N=C1)C1=C(C=CC=N1)C=C2 1,10-Phenanthroline 66-71-7|1,10-Phenanthroline|1,10-Fenanthrolin|1,10-fenantrolina|1,10-o-PHENANTHROLINE|1,10-Phenanthrolin|2-Phenanthroline|4,5-Diazaphenanthrene|beta-Phenanthroline|EINECS 200-629-2|NSC 203545|o-Phenanthroline|o-Phenanthroline, monohydrate|Orthophenanthroline|PHENANTHROLINE, (1,10)|PHENANTHROLINE, 1,10-|UNII-W4X6ZO7939|b-Phenanthroline https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025857 https://doi.org/10.22427/NTP-DATA-DTXSID1025857
ERPathway2016 ERPathway2016_556 1,10-Phenanthroline 66-71-7 DTXSID1025857 R9 ER Pathway Model, Antagonist Call Inactive Unitless C1=CC2=C(N=C1)C1=C(C=CC=N1)C=C2 1,10-Phenanthroline 66-71-7|1,10-Phenanthroline|1,10-Fenanthrolin|1,10-fenantrolina|1,10-o-PHENANTHROLINE|1,10-Phenanthrolin|2-Phenanthroline|4,5-Diazaphenanthrene|beta-Phenanthroline|EINECS 200-629-2|NSC 203545|o-Phenanthroline|o-Phenanthroline, monohydrate|Orthophenanthroline|PHENANTHROLINE, (1,10)|PHENANTHROLINE, 1,10-|UNII-W4X6ZO7939|b-Phenanthroline https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025857 https://doi.org/10.22427/NTP-DATA-DTXSID1025857
ARPathway2016 ARPathway2016_936 1,1-Bis(3,4-dimethylphenyl)ethane 1742-14-9 DTXSID9029223 2.0 R4 AR Pathway Model, Antagonist Model Score 0.00161 Unitless CC(C1=CC=C(C)C(C)=C1)C1=CC=C(C)C(C)=C1 1,1-Bis(3,4-dimethylphenyl)ethane 1742-14-9|1,1-Bis(3,4-dimethylphenyl)ethane|1,1-Di-3,4-xylylethane|Benzene, 1,1'-ethylidenebis[3,4-dimethyl-|EINECS 217-108-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029223
ARPathway2016 ARPathway2016_936 1,1-Bis(3,4-dimethylphenyl)ethane 1742-14-9 DTXSID9029223 2.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CC(C1=CC=C(C)C(C)=C1)C1=CC=C(C)C(C)=C1 1,1-Bis(3,4-dimethylphenyl)ethane 1742-14-9|1,1-Bis(3,4-dimethylphenyl)ethane|1,1-Di-3,4-xylylethane|Benzene, 1,1'-ethylidenebis[3,4-dimethyl-|EINECS 217-108-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029223
ARPathway2016 ARPathway2016_936 1,1-Bis(3,4-dimethylphenyl)ethane 1742-14-9 DTXSID9029223 2.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CC(C1=CC=C(C)C(C)=C1)C1=CC=C(C)C(C)=C1 1,1-Bis(3,4-dimethylphenyl)ethane 1742-14-9|1,1-Bis(3,4-dimethylphenyl)ethane|1,1-Di-3,4-xylylethane|Benzene, 1,1'-ethylidenebis[3,4-dimethyl-|EINECS 217-108-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029223
ARPathway2016 ARPathway2016_936 1,1-Bis(3,4-dimethylphenyl)ethane 1742-14-9 DTXSID9029223 2.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CC(C1=CC=C(C)C(C)=C1)C1=CC=C(C)C(C)=C1 1,1-Bis(3,4-dimethylphenyl)ethane 1742-14-9|1,1-Bis(3,4-dimethylphenyl)ethane|1,1-Di-3,4-xylylethane|Benzene, 1,1'-ethylidenebis[3,4-dimethyl-|EINECS 217-108-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029223
ERPathway2016 ERPathway2016_841 1,1-Bis(3,4-dimethylphenyl)ethane 1742-14-9 DTXSID9029223 ER Pathway Model, Agonist Model Score 0 Unitless CC(C1=CC=C(C)C(C)=C1)C1=CC=C(C)C(C)=C1 1,1-Bis(3,4-dimethylphenyl)ethane 1742-14-9|1,1-Bis(3,4-dimethylphenyl)ethane|1,1-Di-3,4-xylylethane|Benzene, 1,1'-ethylidenebis[3,4-dimethyl-|EINECS 217-108-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029223
ERPathway2016 ERPathway2016_841 1,1-Bis(3,4-dimethylphenyl)ethane 1742-14-9 DTXSID9029223 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C1=CC=C(C)C(C)=C1)C1=CC=C(C)C(C)=C1 1,1-Bis(3,4-dimethylphenyl)ethane 1742-14-9|1,1-Bis(3,4-dimethylphenyl)ethane|1,1-Di-3,4-xylylethane|Benzene, 1,1'-ethylidenebis[3,4-dimethyl-|EINECS 217-108-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029223
ERPathway2016 ERPathway2016_841 1,1-Bis(3,4-dimethylphenyl)ethane 1742-14-9 DTXSID9029223 ER Pathway Model, Agonist Call Inactive Unitless CC(C1=CC=C(C)C(C)=C1)C1=CC=C(C)C(C)=C1 1,1-Bis(3,4-dimethylphenyl)ethane 1742-14-9|1,1-Bis(3,4-dimethylphenyl)ethane|1,1-Di-3,4-xylylethane|Benzene, 1,1'-ethylidenebis[3,4-dimethyl-|EINECS 217-108-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029223
ERPathway2016 ERPathway2016_841 1,1-Bis(3,4-dimethylphenyl)ethane 1742-14-9 DTXSID9029223 ER Pathway Model, Antagonist Call Inactive Unitless CC(C1=CC=C(C)C(C)=C1)C1=CC=C(C)C(C)=C1 1,1-Bis(3,4-dimethylphenyl)ethane 1742-14-9|1,1-Bis(3,4-dimethylphenyl)ethane|1,1-Di-3,4-xylylethane|Benzene, 1,1'-ethylidenebis[3,4-dimethyl-|EINECS 217-108-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029223
ARPathway2016 ARPathway2016_1341 1,1-Dimethylhydrazine 57-14-7 DTXSID1020516 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)N 1,1-Dimethylhydrazine 57-14-7|1,1-Dimethylhydrazine|1,1-DIMETHYLHYDRAZIN|as-Dimethyl hydrazine|as-Dimethylhydrazine|asymmetric Dimethylhydrazine|asymmetric-Dimethylhydrazine|BRN 0605261|Dimazin|Dimazine|Dimethyl hydrazine|Dimethylhydrazine unsymmetrical|Dimethylhydrazine, unsym.|EINECS 200-316-0|gem-Dimethylhydrazine|Hydrazine, 1,1-dimethyl-|Hydrazine, N,N-dimethyl-|N,N-Dimethylhydrazin|N,N-Dimethylhydrazine|N,N-dimetilhidrazina|N,N-Dimetilidrazina|Niesymetryczna dwu metylohydrazyna|NSC 60517|RCRA waste number U098|u-Dimethylhydrazine|UDMH|UN 1163|UNII-4WPQ90N53J|uns-Dimethylhydrazine|unsym-Dimethylhydrazine|Unsymmetrical dimethylhydrazine|unsymmetrical-Dimethylhydrazine|88733-28-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020516 https://doi.org/10.22427/NTP-DATA-DTXSID1020516
ARPathway2016 ARPathway2016_1341 1,1-Dimethylhydrazine 57-14-7 DTXSID1020516 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)N 1,1-Dimethylhydrazine 57-14-7|1,1-Dimethylhydrazine|1,1-DIMETHYLHYDRAZIN|as-Dimethyl hydrazine|as-Dimethylhydrazine|asymmetric Dimethylhydrazine|asymmetric-Dimethylhydrazine|BRN 0605261|Dimazin|Dimazine|Dimethyl hydrazine|Dimethylhydrazine unsymmetrical|Dimethylhydrazine, unsym.|EINECS 200-316-0|gem-Dimethylhydrazine|Hydrazine, 1,1-dimethyl-|Hydrazine, N,N-dimethyl-|N,N-Dimethylhydrazin|N,N-Dimethylhydrazine|N,N-dimetilhidrazina|N,N-Dimetilidrazina|Niesymetryczna dwu metylohydrazyna|NSC 60517|RCRA waste number U098|u-Dimethylhydrazine|UDMH|UN 1163|UNII-4WPQ90N53J|uns-Dimethylhydrazine|unsym-Dimethylhydrazine|Unsymmetrical dimethylhydrazine|unsymmetrical-Dimethylhydrazine|88733-28-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020516 https://doi.org/10.22427/NTP-DATA-DTXSID1020516
ARPathway2016 ARPathway2016_1341 1,1-Dimethylhydrazine 57-14-7 DTXSID1020516 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN(C)N 1,1-Dimethylhydrazine 57-14-7|1,1-Dimethylhydrazine|1,1-DIMETHYLHYDRAZIN|as-Dimethyl hydrazine|as-Dimethylhydrazine|asymmetric Dimethylhydrazine|asymmetric-Dimethylhydrazine|BRN 0605261|Dimazin|Dimazine|Dimethyl hydrazine|Dimethylhydrazine unsymmetrical|Dimethylhydrazine, unsym.|EINECS 200-316-0|gem-Dimethylhydrazine|Hydrazine, 1,1-dimethyl-|Hydrazine, N,N-dimethyl-|N,N-Dimethylhydrazin|N,N-Dimethylhydrazine|N,N-dimetilhidrazina|N,N-Dimetilidrazina|Niesymetryczna dwu metylohydrazyna|NSC 60517|RCRA waste number U098|u-Dimethylhydrazine|UDMH|UN 1163|UNII-4WPQ90N53J|uns-Dimethylhydrazine|unsym-Dimethylhydrazine|Unsymmetrical dimethylhydrazine|unsymmetrical-Dimethylhydrazine|88733-28-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020516 https://doi.org/10.22427/NTP-DATA-DTXSID1020516
ARPathway2016 ARPathway2016_1341 1,1-Dimethylhydrazine 57-14-7 DTXSID1020516 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)N 1,1-Dimethylhydrazine 57-14-7|1,1-Dimethylhydrazine|1,1-DIMETHYLHYDRAZIN|as-Dimethyl hydrazine|as-Dimethylhydrazine|asymmetric Dimethylhydrazine|asymmetric-Dimethylhydrazine|BRN 0605261|Dimazin|Dimazine|Dimethyl hydrazine|Dimethylhydrazine unsymmetrical|Dimethylhydrazine, unsym.|EINECS 200-316-0|gem-Dimethylhydrazine|Hydrazine, 1,1-dimethyl-|Hydrazine, N,N-dimethyl-|N,N-Dimethylhydrazin|N,N-Dimethylhydrazine|N,N-dimetilhidrazina|N,N-Dimetilidrazina|Niesymetryczna dwu metylohydrazyna|NSC 60517|RCRA waste number U098|u-Dimethylhydrazine|UDMH|UN 1163|UNII-4WPQ90N53J|uns-Dimethylhydrazine|unsym-Dimethylhydrazine|Unsymmetrical dimethylhydrazine|unsymmetrical-Dimethylhydrazine|88733-28-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020516 https://doi.org/10.22427/NTP-DATA-DTXSID1020516
ERPathway2016 ERPathway2016_1547 1,1-Dimethylhydrazine 57-14-7 DTXSID1020516 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)N 1,1-Dimethylhydrazine 57-14-7|1,1-Dimethylhydrazine|1,1-DIMETHYLHYDRAZIN|as-Dimethyl hydrazine|as-Dimethylhydrazine|asymmetric Dimethylhydrazine|asymmetric-Dimethylhydrazine|BRN 0605261|Dimazin|Dimazine|Dimethyl hydrazine|Dimethylhydrazine unsymmetrical|Dimethylhydrazine, unsym.|EINECS 200-316-0|gem-Dimethylhydrazine|Hydrazine, 1,1-dimethyl-|Hydrazine, N,N-dimethyl-|N,N-Dimethylhydrazin|N,N-Dimethylhydrazine|N,N-dimetilhidrazina|N,N-Dimetilidrazina|Niesymetryczna dwu metylohydrazyna|NSC 60517|RCRA waste number U098|u-Dimethylhydrazine|UDMH|UN 1163|UNII-4WPQ90N53J|uns-Dimethylhydrazine|unsym-Dimethylhydrazine|Unsymmetrical dimethylhydrazine|unsymmetrical-Dimethylhydrazine|88733-28-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020516 https://doi.org/10.22427/NTP-DATA-DTXSID1020516
ERPathway2016 ERPathway2016_1547 1,1-Dimethylhydrazine 57-14-7 DTXSID1020516 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)N 1,1-Dimethylhydrazine 57-14-7|1,1-Dimethylhydrazine|1,1-DIMETHYLHYDRAZIN|as-Dimethyl hydrazine|as-Dimethylhydrazine|asymmetric Dimethylhydrazine|asymmetric-Dimethylhydrazine|BRN 0605261|Dimazin|Dimazine|Dimethyl hydrazine|Dimethylhydrazine unsymmetrical|Dimethylhydrazine, unsym.|EINECS 200-316-0|gem-Dimethylhydrazine|Hydrazine, 1,1-dimethyl-|Hydrazine, N,N-dimethyl-|N,N-Dimethylhydrazin|N,N-Dimethylhydrazine|N,N-dimetilhidrazina|N,N-Dimetilidrazina|Niesymetryczna dwu metylohydrazyna|NSC 60517|RCRA waste number U098|u-Dimethylhydrazine|UDMH|UN 1163|UNII-4WPQ90N53J|uns-Dimethylhydrazine|unsym-Dimethylhydrazine|Unsymmetrical dimethylhydrazine|unsymmetrical-Dimethylhydrazine|88733-28-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020516 https://doi.org/10.22427/NTP-DATA-DTXSID1020516
ERPathway2016 ERPathway2016_1547 1,1-Dimethylhydrazine 57-14-7 DTXSID1020516 ER Pathway Model, Agonist Call Inactive Unitless CN(C)N 1,1-Dimethylhydrazine 57-14-7|1,1-Dimethylhydrazine|1,1-DIMETHYLHYDRAZIN|as-Dimethyl hydrazine|as-Dimethylhydrazine|asymmetric Dimethylhydrazine|asymmetric-Dimethylhydrazine|BRN 0605261|Dimazin|Dimazine|Dimethyl hydrazine|Dimethylhydrazine unsymmetrical|Dimethylhydrazine, unsym.|EINECS 200-316-0|gem-Dimethylhydrazine|Hydrazine, 1,1-dimethyl-|Hydrazine, N,N-dimethyl-|N,N-Dimethylhydrazin|N,N-Dimethylhydrazine|N,N-dimetilhidrazina|N,N-Dimetilidrazina|Niesymetryczna dwu metylohydrazyna|NSC 60517|RCRA waste number U098|u-Dimethylhydrazine|UDMH|UN 1163|UNII-4WPQ90N53J|uns-Dimethylhydrazine|unsym-Dimethylhydrazine|Unsymmetrical dimethylhydrazine|unsymmetrical-Dimethylhydrazine|88733-28-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020516 https://doi.org/10.22427/NTP-DATA-DTXSID1020516
ERPathway2016 ERPathway2016_1547 1,1-Dimethylhydrazine 57-14-7 DTXSID1020516 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)N 1,1-Dimethylhydrazine 57-14-7|1,1-Dimethylhydrazine|1,1-DIMETHYLHYDRAZIN|as-Dimethyl hydrazine|as-Dimethylhydrazine|asymmetric Dimethylhydrazine|asymmetric-Dimethylhydrazine|BRN 0605261|Dimazin|Dimazine|Dimethyl hydrazine|Dimethylhydrazine unsymmetrical|Dimethylhydrazine, unsym.|EINECS 200-316-0|gem-Dimethylhydrazine|Hydrazine, 1,1-dimethyl-|Hydrazine, N,N-dimethyl-|N,N-Dimethylhydrazin|N,N-Dimethylhydrazine|N,N-dimetilhidrazina|N,N-Dimetilidrazina|Niesymetryczna dwu metylohydrazyna|NSC 60517|RCRA waste number U098|u-Dimethylhydrazine|UDMH|UN 1163|UNII-4WPQ90N53J|uns-Dimethylhydrazine|unsym-Dimethylhydrazine|Unsymmetrical dimethylhydrazine|unsymmetrical-Dimethylhydrazine|88733-28-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020516 https://doi.org/10.22427/NTP-DATA-DTXSID1020516
ARPathway2016 ARPathway2016_1034 1,1-Dimethylpiperidinium chloride 24307-26-4 DTXSID1024170 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Cl-].C[N+]1(C)CCCCC1 1,1-Dimethylpiperidinium chloride 24307-26-4|1,1-Dimethylpiperidinium chloride|246-147-6|BAS 083|BAS 083 W|BAS 08301W|BAS 08305 W|BAS 08306 W|BAS 08307 W|BAS 083W|BAS-083|BAS-85559X|Caswell No. 380AB|EC No.: 246-147-6|EINECS 246-147-6|EPA Pesticide Chemical Code 109101|Mepiquat chloride|Methylpiperidine hydrochloride|N,N-dimethyl-piperidinium chloride|N,N-Dimethylpiperidinium chloride|PC 109101|PC Code 109101|Piperidinium, 1,1-dimethyl-, chloride|Piperidinium, 1,1-dimethyl-, chloride (1:1)|Pix Ultra|UNII-X0S7YUN0EP https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024170
ARPathway2016 ARPathway2016_1034 1,1-Dimethylpiperidinium chloride 24307-26-4 DTXSID1024170 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Cl-].C[N+]1(C)CCCCC1 1,1-Dimethylpiperidinium chloride 24307-26-4|1,1-Dimethylpiperidinium chloride|246-147-6|BAS 083|BAS 083 W|BAS 08301W|BAS 08305 W|BAS 08306 W|BAS 08307 W|BAS 083W|BAS-083|BAS-85559X|Caswell No. 380AB|EC No.: 246-147-6|EINECS 246-147-6|EPA Pesticide Chemical Code 109101|Mepiquat chloride|Methylpiperidine hydrochloride|N,N-dimethyl-piperidinium chloride|N,N-Dimethylpiperidinium chloride|PC 109101|PC Code 109101|Piperidinium, 1,1-dimethyl-, chloride|Piperidinium, 1,1-dimethyl-, chloride (1:1)|Pix Ultra|UNII-X0S7YUN0EP https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024170
ARPathway2016 ARPathway2016_1034 1,1-Dimethylpiperidinium chloride 24307-26-4 DTXSID1024170 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Cl-].C[N+]1(C)CCCCC1 1,1-Dimethylpiperidinium chloride 24307-26-4|1,1-Dimethylpiperidinium chloride|246-147-6|BAS 083|BAS 083 W|BAS 08301W|BAS 08305 W|BAS 08306 W|BAS 08307 W|BAS 083W|BAS-083|BAS-85559X|Caswell No. 380AB|EC No.: 246-147-6|EINECS 246-147-6|EPA Pesticide Chemical Code 109101|Mepiquat chloride|Methylpiperidine hydrochloride|N,N-dimethyl-piperidinium chloride|N,N-Dimethylpiperidinium chloride|PC 109101|PC Code 109101|Piperidinium, 1,1-dimethyl-, chloride|Piperidinium, 1,1-dimethyl-, chloride (1:1)|Pix Ultra|UNII-X0S7YUN0EP https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024170
ARPathway2016 ARPathway2016_1034 1,1-Dimethylpiperidinium chloride 24307-26-4 DTXSID1024170 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].C[N+]1(C)CCCCC1 1,1-Dimethylpiperidinium chloride 24307-26-4|1,1-Dimethylpiperidinium chloride|246-147-6|BAS 083|BAS 083 W|BAS 08301W|BAS 08305 W|BAS 08306 W|BAS 08307 W|BAS 083W|BAS-083|BAS-85559X|Caswell No. 380AB|EC No.: 246-147-6|EINECS 246-147-6|EPA Pesticide Chemical Code 109101|Mepiquat chloride|Methylpiperidine hydrochloride|N,N-dimethyl-piperidinium chloride|N,N-Dimethylpiperidinium chloride|PC 109101|PC Code 109101|Piperidinium, 1,1-dimethyl-, chloride|Piperidinium, 1,1-dimethyl-, chloride (1:1)|Pix Ultra|UNII-X0S7YUN0EP https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024170
ERPathway2016 ERPathway2016_1394 1,1-Dimethylpiperidinium chloride 24307-26-4 DTXSID1024170 ER Pathway Model, Agonist Model Score 0 Unitless [Cl-].C[N+]1(C)CCCCC1 1,1-Dimethylpiperidinium chloride 24307-26-4|1,1-Dimethylpiperidinium chloride|246-147-6|BAS 083|BAS 083 W|BAS 08301W|BAS 08305 W|BAS 08306 W|BAS 08307 W|BAS 083W|BAS-083|BAS-85559X|Caswell No. 380AB|EC No.: 246-147-6|EINECS 246-147-6|EPA Pesticide Chemical Code 109101|Mepiquat chloride|Methylpiperidine hydrochloride|N,N-dimethyl-piperidinium chloride|N,N-Dimethylpiperidinium chloride|PC 109101|PC Code 109101|Piperidinium, 1,1-dimethyl-, chloride|Piperidinium, 1,1-dimethyl-, chloride (1:1)|Pix Ultra|UNII-X0S7YUN0EP https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024170
ERPathway2016 ERPathway2016_1394 1,1-Dimethylpiperidinium chloride 24307-26-4 DTXSID1024170 ER Pathway Model, Antagonist Model Score 0 Unitless [Cl-].C[N+]1(C)CCCCC1 1,1-Dimethylpiperidinium chloride 24307-26-4|1,1-Dimethylpiperidinium chloride|246-147-6|BAS 083|BAS 083 W|BAS 08301W|BAS 08305 W|BAS 08306 W|BAS 08307 W|BAS 083W|BAS-083|BAS-85559X|Caswell No. 380AB|EC No.: 246-147-6|EINECS 246-147-6|EPA Pesticide Chemical Code 109101|Mepiquat chloride|Methylpiperidine hydrochloride|N,N-dimethyl-piperidinium chloride|N,N-Dimethylpiperidinium chloride|PC 109101|PC Code 109101|Piperidinium, 1,1-dimethyl-, chloride|Piperidinium, 1,1-dimethyl-, chloride (1:1)|Pix Ultra|UNII-X0S7YUN0EP https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024170
ERPathway2016 ERPathway2016_1394 1,1-Dimethylpiperidinium chloride 24307-26-4 DTXSID1024170 ER Pathway Model, Agonist Call Inactive Unitless [Cl-].C[N+]1(C)CCCCC1 1,1-Dimethylpiperidinium chloride 24307-26-4|1,1-Dimethylpiperidinium chloride|246-147-6|BAS 083|BAS 083 W|BAS 08301W|BAS 08305 W|BAS 08306 W|BAS 08307 W|BAS 083W|BAS-083|BAS-85559X|Caswell No. 380AB|EC No.: 246-147-6|EINECS 246-147-6|EPA Pesticide Chemical Code 109101|Mepiquat chloride|Methylpiperidine hydrochloride|N,N-dimethyl-piperidinium chloride|N,N-Dimethylpiperidinium chloride|PC 109101|PC Code 109101|Piperidinium, 1,1-dimethyl-, chloride|Piperidinium, 1,1-dimethyl-, chloride (1:1)|Pix Ultra|UNII-X0S7YUN0EP https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024170
ERPathway2016 ERPathway2016_1394 1,1-Dimethylpiperidinium chloride 24307-26-4 DTXSID1024170 ER Pathway Model, Antagonist Call Inactive Unitless [Cl-].C[N+]1(C)CCCCC1 1,1-Dimethylpiperidinium chloride 24307-26-4|1,1-Dimethylpiperidinium chloride|246-147-6|BAS 083|BAS 083 W|BAS 08301W|BAS 08305 W|BAS 08306 W|BAS 08307 W|BAS 083W|BAS-083|BAS-85559X|Caswell No. 380AB|EC No.: 246-147-6|EINECS 246-147-6|EPA Pesticide Chemical Code 109101|Mepiquat chloride|Methylpiperidine hydrochloride|N,N-dimethyl-piperidinium chloride|N,N-Dimethylpiperidinium chloride|PC 109101|PC Code 109101|Piperidinium, 1,1-dimethyl-, chloride|Piperidinium, 1,1-dimethyl-, chloride (1:1)|Pix Ultra|UNII-X0S7YUN0EP https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024170
ARPathway2016 ARPathway2016_1646 1,2,3,6-Tetrahydrophthalimide 85-40-5 DTXSID8026513 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C1NC(=O)C2CC=CCC12 1,2,3,6-Tetrahydrophthalimide 85-40-5|1,2,3,6-Tetrahydrophthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-|2,3,3a,4,7,7a-Hexahydro-1H-isoindole-1,3-dione|201-602-8|3-Hydroxy-3a,4,7,7a-tetrahydro-1H-isoindol-1-one|3a,4,7,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydroisoindole-1,3-dione|4-Cyclohexene-1,2-dicarboximide|5-21-10-00130|BRN 0128764|delta(4)-Tetrahydrophthalimide|delta(sup 4)-Tetrahydrophthalimide|EC No.: 201-602-8|EINECS 201-602-8|Isoindole-1,3-dione, 3a,4,7,7a-tetrahydro-|NSC 59011|Tetrahydrophthalic acid imide|Tetrahydrophthalimide|THPI|D4-Tetrahydrophthalimide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026513
ARPathway2016 ARPathway2016_1646 1,2,3,6-Tetrahydrophthalimide 85-40-5 DTXSID8026513 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C1NC(=O)C2CC=CCC12 1,2,3,6-Tetrahydrophthalimide 85-40-5|1,2,3,6-Tetrahydrophthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-|2,3,3a,4,7,7a-Hexahydro-1H-isoindole-1,3-dione|201-602-8|3-Hydroxy-3a,4,7,7a-tetrahydro-1H-isoindol-1-one|3a,4,7,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydroisoindole-1,3-dione|4-Cyclohexene-1,2-dicarboximide|5-21-10-00130|BRN 0128764|delta(4)-Tetrahydrophthalimide|delta(sup 4)-Tetrahydrophthalimide|EC No.: 201-602-8|EINECS 201-602-8|Isoindole-1,3-dione, 3a,4,7,7a-tetrahydro-|NSC 59011|Tetrahydrophthalic acid imide|Tetrahydrophthalimide|THPI|D4-Tetrahydrophthalimide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026513
ARPathway2016 ARPathway2016_1646 1,2,3,6-Tetrahydrophthalimide 85-40-5 DTXSID8026513 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C1NC(=O)C2CC=CCC12 1,2,3,6-Tetrahydrophthalimide 85-40-5|1,2,3,6-Tetrahydrophthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-|2,3,3a,4,7,7a-Hexahydro-1H-isoindole-1,3-dione|201-602-8|3-Hydroxy-3a,4,7,7a-tetrahydro-1H-isoindol-1-one|3a,4,7,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydroisoindole-1,3-dione|4-Cyclohexene-1,2-dicarboximide|5-21-10-00130|BRN 0128764|delta(4)-Tetrahydrophthalimide|delta(sup 4)-Tetrahydrophthalimide|EC No.: 201-602-8|EINECS 201-602-8|Isoindole-1,3-dione, 3a,4,7,7a-tetrahydro-|NSC 59011|Tetrahydrophthalic acid imide|Tetrahydrophthalimide|THPI|D4-Tetrahydrophthalimide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026513
ARPathway2016 ARPathway2016_1646 1,2,3,6-Tetrahydrophthalimide 85-40-5 DTXSID8026513 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C1NC(=O)C2CC=CCC12 1,2,3,6-Tetrahydrophthalimide 85-40-5|1,2,3,6-Tetrahydrophthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-|2,3,3a,4,7,7a-Hexahydro-1H-isoindole-1,3-dione|201-602-8|3-Hydroxy-3a,4,7,7a-tetrahydro-1H-isoindol-1-one|3a,4,7,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydroisoindole-1,3-dione|4-Cyclohexene-1,2-dicarboximide|5-21-10-00130|BRN 0128764|delta(4)-Tetrahydrophthalimide|delta(sup 4)-Tetrahydrophthalimide|EC No.: 201-602-8|EINECS 201-602-8|Isoindole-1,3-dione, 3a,4,7,7a-tetrahydro-|NSC 59011|Tetrahydrophthalic acid imide|Tetrahydrophthalimide|THPI|D4-Tetrahydrophthalimide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026513
ERPathway2016 ERPathway2016_974 1,2,3,6-Tetrahydrophthalimide 85-40-5 DTXSID8026513 ER Pathway Model, Agonist Model Score 0 Unitless O=C1NC(=O)C2CC=CCC12 1,2,3,6-Tetrahydrophthalimide 85-40-5|1,2,3,6-Tetrahydrophthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-|2,3,3a,4,7,7a-Hexahydro-1H-isoindole-1,3-dione|201-602-8|3-Hydroxy-3a,4,7,7a-tetrahydro-1H-isoindol-1-one|3a,4,7,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydroisoindole-1,3-dione|4-Cyclohexene-1,2-dicarboximide|5-21-10-00130|BRN 0128764|delta(4)-Tetrahydrophthalimide|delta(sup 4)-Tetrahydrophthalimide|EC No.: 201-602-8|EINECS 201-602-8|Isoindole-1,3-dione, 3a,4,7,7a-tetrahydro-|NSC 59011|Tetrahydrophthalic acid imide|Tetrahydrophthalimide|THPI|D4-Tetrahydrophthalimide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026513
ERPathway2016 ERPathway2016_974 1,2,3,6-Tetrahydrophthalimide 85-40-5 DTXSID8026513 ER Pathway Model, Antagonist Model Score 0 Unitless O=C1NC(=O)C2CC=CCC12 1,2,3,6-Tetrahydrophthalimide 85-40-5|1,2,3,6-Tetrahydrophthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-|2,3,3a,4,7,7a-Hexahydro-1H-isoindole-1,3-dione|201-602-8|3-Hydroxy-3a,4,7,7a-tetrahydro-1H-isoindol-1-one|3a,4,7,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydroisoindole-1,3-dione|4-Cyclohexene-1,2-dicarboximide|5-21-10-00130|BRN 0128764|delta(4)-Tetrahydrophthalimide|delta(sup 4)-Tetrahydrophthalimide|EC No.: 201-602-8|EINECS 201-602-8|Isoindole-1,3-dione, 3a,4,7,7a-tetrahydro-|NSC 59011|Tetrahydrophthalic acid imide|Tetrahydrophthalimide|THPI|D4-Tetrahydrophthalimide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026513
ERPathway2016 ERPathway2016_974 1,2,3,6-Tetrahydrophthalimide 85-40-5 DTXSID8026513 ER Pathway Model, Agonist Call Inactive Unitless O=C1NC(=O)C2CC=CCC12 1,2,3,6-Tetrahydrophthalimide 85-40-5|1,2,3,6-Tetrahydrophthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-|2,3,3a,4,7,7a-Hexahydro-1H-isoindole-1,3-dione|201-602-8|3-Hydroxy-3a,4,7,7a-tetrahydro-1H-isoindol-1-one|3a,4,7,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydroisoindole-1,3-dione|4-Cyclohexene-1,2-dicarboximide|5-21-10-00130|BRN 0128764|delta(4)-Tetrahydrophthalimide|delta(sup 4)-Tetrahydrophthalimide|EC No.: 201-602-8|EINECS 201-602-8|Isoindole-1,3-dione, 3a,4,7,7a-tetrahydro-|NSC 59011|Tetrahydrophthalic acid imide|Tetrahydrophthalimide|THPI|D4-Tetrahydrophthalimide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026513
ERPathway2016 ERPathway2016_974 1,2,3,6-Tetrahydrophthalimide 85-40-5 DTXSID8026513 ER Pathway Model, Antagonist Call Inactive Unitless O=C1NC(=O)C2CC=CCC12 1,2,3,6-Tetrahydrophthalimide 85-40-5|1,2,3,6-Tetrahydrophthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-|2,3,3a,4,7,7a-Hexahydro-1H-isoindole-1,3-dione|201-602-8|3-Hydroxy-3a,4,7,7a-tetrahydro-1H-isoindol-1-one|3a,4,7,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydroisoindole-1,3-dione|4-Cyclohexene-1,2-dicarboximide|5-21-10-00130|BRN 0128764|delta(4)-Tetrahydrophthalimide|delta(sup 4)-Tetrahydrophthalimide|EC No.: 201-602-8|EINECS 201-602-8|Isoindole-1,3-dione, 3a,4,7,7a-tetrahydro-|NSC 59011|Tetrahydrophthalic acid imide|Tetrahydrophthalimide|THPI|D4-Tetrahydrophthalimide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026513
ARPathway2016 ARPathway2016_1755 1,2,3-Benzotriazole 95-14-7 DTXSID6020147 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless N1N=NC2=C1C=CC=C2 1,2,3-Benzotriazole 95-14-7|1,2,3-Benzotriazole|1,2-AMINOAZOPHENYLENE|1,2,-Aminozophenylene|1,2,3-1H-Benzotriazole|1,2,3-Triaza-1H-indene|1,2,3-Triazaindene|1H-1,2,3-Benzotriazole|1H-Benzotraizole|1H-BENZOTRIAZOL|1H-Benzotriazole|2,3-Diazaindole|4-26-00-00093|Azimidobenzene|Aziminobenzene|Benzene azimide|Benzisotriazole|Benzotriazol|Benzotriazole|Benztriazole|BRN 0112133|BTA|C.V.I. Liquid|Cobratec #99|Cobratec 35G|Cobratec 99|EINECS 202-394-1|Irgastab I 489|Kemitec TT|NCI-C03521|NSC 3058|NSC-3058|Rusmin R|Seetec BT|Seetec BT-R|UNII-86110UXM5Y|Verzone Crystal|115773-98-3|116421-31-9|1334724-96-7|152206-50-3|197463-08-4|25377-81-5|27556-51-0|28880-01-5|70644-74-5|83202-91-9|94160-69-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020147 https://doi.org/10.22427/NTP-DATA-DTXSID6020147
ARPathway2016 ARPathway2016_1755 1,2,3-Benzotriazole 95-14-7 DTXSID6020147 0.0 AR Pathway Model, Agonist Model Score 0 Unitless N1N=NC2=C1C=CC=C2 1,2,3-Benzotriazole 95-14-7|1,2,3-Benzotriazole|1,2-AMINOAZOPHENYLENE|1,2,-Aminozophenylene|1,2,3-1H-Benzotriazole|1,2,3-Triaza-1H-indene|1,2,3-Triazaindene|1H-1,2,3-Benzotriazole|1H-Benzotraizole|1H-BENZOTRIAZOL|1H-Benzotriazole|2,3-Diazaindole|4-26-00-00093|Azimidobenzene|Aziminobenzene|Benzene azimide|Benzisotriazole|Benzotriazol|Benzotriazole|Benztriazole|BRN 0112133|BTA|C.V.I. Liquid|Cobratec #99|Cobratec 35G|Cobratec 99|EINECS 202-394-1|Irgastab I 489|Kemitec TT|NCI-C03521|NSC 3058|NSC-3058|Rusmin R|Seetec BT|Seetec BT-R|UNII-86110UXM5Y|Verzone Crystal|115773-98-3|116421-31-9|1334724-96-7|152206-50-3|197463-08-4|25377-81-5|27556-51-0|28880-01-5|70644-74-5|83202-91-9|94160-69-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020147 https://doi.org/10.22427/NTP-DATA-DTXSID6020147
ARPathway2016 ARPathway2016_1755 1,2,3-Benzotriazole 95-14-7 DTXSID6020147 0.0 AR Pathway Model, Agonist Call Inactive Unitless N1N=NC2=C1C=CC=C2 1,2,3-Benzotriazole 95-14-7|1,2,3-Benzotriazole|1,2-AMINOAZOPHENYLENE|1,2,-Aminozophenylene|1,2,3-1H-Benzotriazole|1,2,3-Triaza-1H-indene|1,2,3-Triazaindene|1H-1,2,3-Benzotriazole|1H-Benzotraizole|1H-BENZOTRIAZOL|1H-Benzotriazole|2,3-Diazaindole|4-26-00-00093|Azimidobenzene|Aziminobenzene|Benzene azimide|Benzisotriazole|Benzotriazol|Benzotriazole|Benztriazole|BRN 0112133|BTA|C.V.I. Liquid|Cobratec #99|Cobratec 35G|Cobratec 99|EINECS 202-394-1|Irgastab I 489|Kemitec TT|NCI-C03521|NSC 3058|NSC-3058|Rusmin R|Seetec BT|Seetec BT-R|UNII-86110UXM5Y|Verzone Crystal|115773-98-3|116421-31-9|1334724-96-7|152206-50-3|197463-08-4|25377-81-5|27556-51-0|28880-01-5|70644-74-5|83202-91-9|94160-69-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020147 https://doi.org/10.22427/NTP-DATA-DTXSID6020147
ARPathway2016 ARPathway2016_1755 1,2,3-Benzotriazole 95-14-7 DTXSID6020147 0.0 AR Pathway Model, Antagonist Call Inactive Unitless N1N=NC2=C1C=CC=C2 1,2,3-Benzotriazole 95-14-7|1,2,3-Benzotriazole|1,2-AMINOAZOPHENYLENE|1,2,-Aminozophenylene|1,2,3-1H-Benzotriazole|1,2,3-Triaza-1H-indene|1,2,3-Triazaindene|1H-1,2,3-Benzotriazole|1H-Benzotraizole|1H-BENZOTRIAZOL|1H-Benzotriazole|2,3-Diazaindole|4-26-00-00093|Azimidobenzene|Aziminobenzene|Benzene azimide|Benzisotriazole|Benzotriazol|Benzotriazole|Benztriazole|BRN 0112133|BTA|C.V.I. Liquid|Cobratec #99|Cobratec 35G|Cobratec 99|EINECS 202-394-1|Irgastab I 489|Kemitec TT|NCI-C03521|NSC 3058|NSC-3058|Rusmin R|Seetec BT|Seetec BT-R|UNII-86110UXM5Y|Verzone Crystal|115773-98-3|116421-31-9|1334724-96-7|152206-50-3|197463-08-4|25377-81-5|27556-51-0|28880-01-5|70644-74-5|83202-91-9|94160-69-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020147 https://doi.org/10.22427/NTP-DATA-DTXSID6020147
ERPathway2016 ERPathway2016_1762 1,2,3-Benzotriazole 95-14-7 DTXSID6020147 ER Pathway Model, Agonist Model Score 0 Unitless N1N=NC2=C1C=CC=C2 1,2,3-Benzotriazole 95-14-7|1,2,3-Benzotriazole|1,2-AMINOAZOPHENYLENE|1,2,-Aminozophenylene|1,2,3-1H-Benzotriazole|1,2,3-Triaza-1H-indene|1,2,3-Triazaindene|1H-1,2,3-Benzotriazole|1H-Benzotraizole|1H-BENZOTRIAZOL|1H-Benzotriazole|2,3-Diazaindole|4-26-00-00093|Azimidobenzene|Aziminobenzene|Benzene azimide|Benzisotriazole|Benzotriazol|Benzotriazole|Benztriazole|BRN 0112133|BTA|C.V.I. Liquid|Cobratec #99|Cobratec 35G|Cobratec 99|EINECS 202-394-1|Irgastab I 489|Kemitec TT|NCI-C03521|NSC 3058|NSC-3058|Rusmin R|Seetec BT|Seetec BT-R|UNII-86110UXM5Y|Verzone Crystal|115773-98-3|116421-31-9|1334724-96-7|152206-50-3|197463-08-4|25377-81-5|27556-51-0|28880-01-5|70644-74-5|83202-91-9|94160-69-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020147 https://doi.org/10.22427/NTP-DATA-DTXSID6020147
ERPathway2016 ERPathway2016_1762 1,2,3-Benzotriazole 95-14-7 DTXSID6020147 ER Pathway Model, Antagonist Model Score 0 Unitless N1N=NC2=C1C=CC=C2 1,2,3-Benzotriazole 95-14-7|1,2,3-Benzotriazole|1,2-AMINOAZOPHENYLENE|1,2,-Aminozophenylene|1,2,3-1H-Benzotriazole|1,2,3-Triaza-1H-indene|1,2,3-Triazaindene|1H-1,2,3-Benzotriazole|1H-Benzotraizole|1H-BENZOTRIAZOL|1H-Benzotriazole|2,3-Diazaindole|4-26-00-00093|Azimidobenzene|Aziminobenzene|Benzene azimide|Benzisotriazole|Benzotriazol|Benzotriazole|Benztriazole|BRN 0112133|BTA|C.V.I. Liquid|Cobratec #99|Cobratec 35G|Cobratec 99|EINECS 202-394-1|Irgastab I 489|Kemitec TT|NCI-C03521|NSC 3058|NSC-3058|Rusmin R|Seetec BT|Seetec BT-R|UNII-86110UXM5Y|Verzone Crystal|115773-98-3|116421-31-9|1334724-96-7|152206-50-3|197463-08-4|25377-81-5|27556-51-0|28880-01-5|70644-74-5|83202-91-9|94160-69-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020147 https://doi.org/10.22427/NTP-DATA-DTXSID6020147
ERPathway2016 ERPathway2016_1762 1,2,3-Benzotriazole 95-14-7 DTXSID6020147 ER Pathway Model, Agonist Call Inactive Unitless N1N=NC2=C1C=CC=C2 1,2,3-Benzotriazole 95-14-7|1,2,3-Benzotriazole|1,2-AMINOAZOPHENYLENE|1,2,-Aminozophenylene|1,2,3-1H-Benzotriazole|1,2,3-Triaza-1H-indene|1,2,3-Triazaindene|1H-1,2,3-Benzotriazole|1H-Benzotraizole|1H-BENZOTRIAZOL|1H-Benzotriazole|2,3-Diazaindole|4-26-00-00093|Azimidobenzene|Aziminobenzene|Benzene azimide|Benzisotriazole|Benzotriazol|Benzotriazole|Benztriazole|BRN 0112133|BTA|C.V.I. Liquid|Cobratec #99|Cobratec 35G|Cobratec 99|EINECS 202-394-1|Irgastab I 489|Kemitec TT|NCI-C03521|NSC 3058|NSC-3058|Rusmin R|Seetec BT|Seetec BT-R|UNII-86110UXM5Y|Verzone Crystal|115773-98-3|116421-31-9|1334724-96-7|152206-50-3|197463-08-4|25377-81-5|27556-51-0|28880-01-5|70644-74-5|83202-91-9|94160-69-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020147 https://doi.org/10.22427/NTP-DATA-DTXSID6020147
ERPathway2016 ERPathway2016_1762 1,2,3-Benzotriazole 95-14-7 DTXSID6020147 ER Pathway Model, Antagonist Call Inactive Unitless N1N=NC2=C1C=CC=C2 1,2,3-Benzotriazole 95-14-7|1,2,3-Benzotriazole|1,2-AMINOAZOPHENYLENE|1,2,-Aminozophenylene|1,2,3-1H-Benzotriazole|1,2,3-Triaza-1H-indene|1,2,3-Triazaindene|1H-1,2,3-Benzotriazole|1H-Benzotraizole|1H-BENZOTRIAZOL|1H-Benzotriazole|2,3-Diazaindole|4-26-00-00093|Azimidobenzene|Aziminobenzene|Benzene azimide|Benzisotriazole|Benzotriazol|Benzotriazole|Benztriazole|BRN 0112133|BTA|C.V.I. Liquid|Cobratec #99|Cobratec 35G|Cobratec 99|EINECS 202-394-1|Irgastab I 489|Kemitec TT|NCI-C03521|NSC 3058|NSC-3058|Rusmin R|Seetec BT|Seetec BT-R|UNII-86110UXM5Y|Verzone Crystal|115773-98-3|116421-31-9|1334724-96-7|152206-50-3|197463-08-4|25377-81-5|27556-51-0|28880-01-5|70644-74-5|83202-91-9|94160-69-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020147 https://doi.org/10.22427/NTP-DATA-DTXSID6020147
ARPathway2016 ARPathway2016_1664 1,2,3-Trichlorobenzene 87-61-6 DTXSID8026193 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=CC(Cl)=C1Cl 1,2,3-Trichlorobenzene 87-61-6|1,2,3-Trichlorobenzene|1,2,3-Trichlorbenzol|1,2,3-triclorobenceno|1,2,6-Trichlorobenzene|Benzene, 1,2,3-trichloro-|BRN 0956882|EINECS 201-757-1|NSC 43432|UNII-NUR9777IK4|vic-Trichlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026193 https://doi.org/10.22427/NTP-DATA-DTXSID8026193
ARPathway2016 ARPathway2016_1664 1,2,3-Trichlorobenzene 87-61-6 DTXSID8026193 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=CC(Cl)=C1Cl 1,2,3-Trichlorobenzene 87-61-6|1,2,3-Trichlorobenzene|1,2,3-Trichlorbenzol|1,2,3-triclorobenceno|1,2,6-Trichlorobenzene|Benzene, 1,2,3-trichloro-|BRN 0956882|EINECS 201-757-1|NSC 43432|UNII-NUR9777IK4|vic-Trichlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026193 https://doi.org/10.22427/NTP-DATA-DTXSID8026193
ARPathway2016 ARPathway2016_1664 1,2,3-Trichlorobenzene 87-61-6 DTXSID8026193 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC1=CC=CC(Cl)=C1Cl 1,2,3-Trichlorobenzene 87-61-6|1,2,3-Trichlorobenzene|1,2,3-Trichlorbenzol|1,2,3-triclorobenceno|1,2,6-Trichlorobenzene|Benzene, 1,2,3-trichloro-|BRN 0956882|EINECS 201-757-1|NSC 43432|UNII-NUR9777IK4|vic-Trichlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026193 https://doi.org/10.22427/NTP-DATA-DTXSID8026193
ARPathway2016 ARPathway2016_1664 1,2,3-Trichlorobenzene 87-61-6 DTXSID8026193 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=CC(Cl)=C1Cl 1,2,3-Trichlorobenzene 87-61-6|1,2,3-Trichlorobenzene|1,2,3-Trichlorbenzol|1,2,3-triclorobenceno|1,2,6-Trichlorobenzene|Benzene, 1,2,3-trichloro-|BRN 0956882|EINECS 201-757-1|NSC 43432|UNII-NUR9777IK4|vic-Trichlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026193 https://doi.org/10.22427/NTP-DATA-DTXSID8026193
ERPathway2016 ERPathway2016_1715 1,2,3-Trichlorobenzene 87-61-6 DTXSID8026193 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=CC(Cl)=C1Cl 1,2,3-Trichlorobenzene 87-61-6|1,2,3-Trichlorobenzene|1,2,3-Trichlorbenzol|1,2,3-triclorobenceno|1,2,6-Trichlorobenzene|Benzene, 1,2,3-trichloro-|BRN 0956882|EINECS 201-757-1|NSC 43432|UNII-NUR9777IK4|vic-Trichlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026193 https://doi.org/10.22427/NTP-DATA-DTXSID8026193
ERPathway2016 ERPathway2016_1715 1,2,3-Trichlorobenzene 87-61-6 DTXSID8026193 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=CC(Cl)=C1Cl 1,2,3-Trichlorobenzene 87-61-6|1,2,3-Trichlorobenzene|1,2,3-Trichlorbenzol|1,2,3-triclorobenceno|1,2,6-Trichlorobenzene|Benzene, 1,2,3-trichloro-|BRN 0956882|EINECS 201-757-1|NSC 43432|UNII-NUR9777IK4|vic-Trichlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026193 https://doi.org/10.22427/NTP-DATA-DTXSID8026193
ERPathway2016 ERPathway2016_1715 1,2,3-Trichlorobenzene 87-61-6 DTXSID8026193 ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC=CC(Cl)=C1Cl 1,2,3-Trichlorobenzene 87-61-6|1,2,3-Trichlorobenzene|1,2,3-Trichlorbenzol|1,2,3-triclorobenceno|1,2,6-Trichlorobenzene|Benzene, 1,2,3-trichloro-|BRN 0956882|EINECS 201-757-1|NSC 43432|UNII-NUR9777IK4|vic-Trichlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026193 https://doi.org/10.22427/NTP-DATA-DTXSID8026193
ERPathway2016 ERPathway2016_1715 1,2,3-Trichlorobenzene 87-61-6 DTXSID8026193 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=CC(Cl)=C1Cl 1,2,3-Trichlorobenzene 87-61-6|1,2,3-Trichlorobenzene|1,2,3-Trichlorbenzol|1,2,3-triclorobenceno|1,2,6-Trichlorobenzene|Benzene, 1,2,3-trichloro-|BRN 0956882|EINECS 201-757-1|NSC 43432|UNII-NUR9777IK4|vic-Trichlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026193 https://doi.org/10.22427/NTP-DATA-DTXSID8026193
ARPathway2016 ARPathway2016_1777 1,2,3-Trichloropropane 96-18-4 DTXSID9021390 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClCC(Cl)CCl 1,2,3-Trichloropropane 96-18-4|1,2,3-Trichloropropane|1,2,3-Trichloropropane|Allyl trichloride|BRN 1732068|EINECS 202-486-1|Glycerol trichlorohydrin|Glyceryl trichlorohydrin|NCI-C60220|NSC 35403|Propane, 1,2,3-trichloro-|Trichlorohydrin|Trichloropropane|UNII-3MJ7QCK0Z0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021390
ARPathway2016 ARPathway2016_1777 1,2,3-Trichloropropane 96-18-4 DTXSID9021390 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClCC(Cl)CCl 1,2,3-Trichloropropane 96-18-4|1,2,3-Trichloropropane|1,2,3-Trichloropropane|Allyl trichloride|BRN 1732068|EINECS 202-486-1|Glycerol trichlorohydrin|Glyceryl trichlorohydrin|NCI-C60220|NSC 35403|Propane, 1,2,3-trichloro-|Trichlorohydrin|Trichloropropane|UNII-3MJ7QCK0Z0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021390
ARPathway2016 ARPathway2016_1777 1,2,3-Trichloropropane 96-18-4 DTXSID9021390 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClCC(Cl)CCl 1,2,3-Trichloropropane 96-18-4|1,2,3-Trichloropropane|1,2,3-Trichloropropane|Allyl trichloride|BRN 1732068|EINECS 202-486-1|Glycerol trichlorohydrin|Glyceryl trichlorohydrin|NCI-C60220|NSC 35403|Propane, 1,2,3-trichloro-|Trichlorohydrin|Trichloropropane|UNII-3MJ7QCK0Z0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021390
ARPathway2016 ARPathway2016_1777 1,2,3-Trichloropropane 96-18-4 DTXSID9021390 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClCC(Cl)CCl 1,2,3-Trichloropropane 96-18-4|1,2,3-Trichloropropane|1,2,3-Trichloropropane|Allyl trichloride|BRN 1732068|EINECS 202-486-1|Glycerol trichlorohydrin|Glyceryl trichlorohydrin|NCI-C60220|NSC 35403|Propane, 1,2,3-trichloro-|Trichlorohydrin|Trichloropropane|UNII-3MJ7QCK0Z0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021390
ERPathway2016 ERPathway2016_888 1,2,3-Trichloropropane 96-18-4 DTXSID9021390 ER Pathway Model, Agonist Model Score 0 Unitless ClCC(Cl)CCl 1,2,3-Trichloropropane 96-18-4|1,2,3-Trichloropropane|1,2,3-Trichloropropane|Allyl trichloride|BRN 1732068|EINECS 202-486-1|Glycerol trichlorohydrin|Glyceryl trichlorohydrin|NCI-C60220|NSC 35403|Propane, 1,2,3-trichloro-|Trichlorohydrin|Trichloropropane|UNII-3MJ7QCK0Z0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021390
ERPathway2016 ERPathway2016_888 1,2,3-Trichloropropane 96-18-4 DTXSID9021390 ER Pathway Model, Antagonist Model Score 0 Unitless ClCC(Cl)CCl 1,2,3-Trichloropropane 96-18-4|1,2,3-Trichloropropane|1,2,3-Trichloropropane|Allyl trichloride|BRN 1732068|EINECS 202-486-1|Glycerol trichlorohydrin|Glyceryl trichlorohydrin|NCI-C60220|NSC 35403|Propane, 1,2,3-trichloro-|Trichlorohydrin|Trichloropropane|UNII-3MJ7QCK0Z0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021390
ERPathway2016 ERPathway2016_888 1,2,3-Trichloropropane 96-18-4 DTXSID9021390 ER Pathway Model, Agonist Call Inactive Unitless ClCC(Cl)CCl 1,2,3-Trichloropropane 96-18-4|1,2,3-Trichloropropane|1,2,3-Trichloropropane|Allyl trichloride|BRN 1732068|EINECS 202-486-1|Glycerol trichlorohydrin|Glyceryl trichlorohydrin|NCI-C60220|NSC 35403|Propane, 1,2,3-trichloro-|Trichlorohydrin|Trichloropropane|UNII-3MJ7QCK0Z0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021390
ERPathway2016 ERPathway2016_888 1,2,3-Trichloropropane 96-18-4 DTXSID9021390 ER Pathway Model, Antagonist Call Inactive Unitless ClCC(Cl)CCl 1,2,3-Trichloropropane 96-18-4|1,2,3-Trichloropropane|1,2,3-Trichloropropane|Allyl trichloride|BRN 1732068|EINECS 202-486-1|Glycerol trichlorohydrin|Glyceryl trichlorohydrin|NCI-C60220|NSC 35403|Propane, 1,2,3-trichloro-|Trichlorohydrin|Trichloropropane|UNII-3MJ7QCK0Z0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021390
ARPathway2016 ARPathway2016_1773 1,2,4,5-Tetrachlorobenzene 95-94-3 DTXSID7024320 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC(Cl)=C(Cl)C=C1Cl 1,2,4,5-Tetrachlorobenzene 95-94-3|1,2,4,5-Tetrachlorobenzene|1,2,4,5-Tetrachlorbenzol|1,2,4,5-tetraclorobenceno|Benzene tetrachloride|Benzene, 1,2,4,5-tetrachloro-|BRN 1618315|EINECS 202-466-2|NSC 27003|RCRA waste number U207|s-Tetrachlorobenzene|UNII-5N27529KGH https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024320 https://doi.org/10.22427/NTP-DATA-DTXSID7024320
ARPathway2016 ARPathway2016_1773 1,2,4,5-Tetrachlorobenzene 95-94-3 DTXSID7024320 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC(Cl)=C(Cl)C=C1Cl 1,2,4,5-Tetrachlorobenzene 95-94-3|1,2,4,5-Tetrachlorobenzene|1,2,4,5-Tetrachlorbenzol|1,2,4,5-tetraclorobenceno|Benzene tetrachloride|Benzene, 1,2,4,5-tetrachloro-|BRN 1618315|EINECS 202-466-2|NSC 27003|RCRA waste number U207|s-Tetrachlorobenzene|UNII-5N27529KGH https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024320 https://doi.org/10.22427/NTP-DATA-DTXSID7024320
ARPathway2016 ARPathway2016_1773 1,2,4,5-Tetrachlorobenzene 95-94-3 DTXSID7024320 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC1=CC(Cl)=C(Cl)C=C1Cl 1,2,4,5-Tetrachlorobenzene 95-94-3|1,2,4,5-Tetrachlorobenzene|1,2,4,5-Tetrachlorbenzol|1,2,4,5-tetraclorobenceno|Benzene tetrachloride|Benzene, 1,2,4,5-tetrachloro-|BRN 1618315|EINECS 202-466-2|NSC 27003|RCRA waste number U207|s-Tetrachlorobenzene|UNII-5N27529KGH https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024320 https://doi.org/10.22427/NTP-DATA-DTXSID7024320
ARPathway2016 ARPathway2016_1773 1,2,4,5-Tetrachlorobenzene 95-94-3 DTXSID7024320 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC(Cl)=C(Cl)C=C1Cl 1,2,4,5-Tetrachlorobenzene 95-94-3|1,2,4,5-Tetrachlorobenzene|1,2,4,5-Tetrachlorbenzol|1,2,4,5-tetraclorobenceno|Benzene tetrachloride|Benzene, 1,2,4,5-tetrachloro-|BRN 1618315|EINECS 202-466-2|NSC 27003|RCRA waste number U207|s-Tetrachlorobenzene|UNII-5N27529KGH https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024320 https://doi.org/10.22427/NTP-DATA-DTXSID7024320
ERPathway2016 ERPathway2016_1774 1,2,4,5-Tetrachlorobenzene 95-94-3 DTXSID7024320 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=CC(Cl)=C(Cl)C=C1Cl 1,2,4,5-Tetrachlorobenzene 95-94-3|1,2,4,5-Tetrachlorobenzene|1,2,4,5-Tetrachlorbenzol|1,2,4,5-tetraclorobenceno|Benzene tetrachloride|Benzene, 1,2,4,5-tetrachloro-|BRN 1618315|EINECS 202-466-2|NSC 27003|RCRA waste number U207|s-Tetrachlorobenzene|UNII-5N27529KGH https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024320 https://doi.org/10.22427/NTP-DATA-DTXSID7024320
ERPathway2016 ERPathway2016_1774 1,2,4,5-Tetrachlorobenzene 95-94-3 DTXSID7024320 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC(Cl)=C(Cl)C=C1Cl 1,2,4,5-Tetrachlorobenzene 95-94-3|1,2,4,5-Tetrachlorobenzene|1,2,4,5-Tetrachlorbenzol|1,2,4,5-tetraclorobenceno|Benzene tetrachloride|Benzene, 1,2,4,5-tetrachloro-|BRN 1618315|EINECS 202-466-2|NSC 27003|RCRA waste number U207|s-Tetrachlorobenzene|UNII-5N27529KGH https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024320 https://doi.org/10.22427/NTP-DATA-DTXSID7024320
ERPathway2016 ERPathway2016_1774 1,2,4,5-Tetrachlorobenzene 95-94-3 DTXSID7024320 ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC(Cl)=C(Cl)C=C1Cl 1,2,4,5-Tetrachlorobenzene 95-94-3|1,2,4,5-Tetrachlorobenzene|1,2,4,5-Tetrachlorbenzol|1,2,4,5-tetraclorobenceno|Benzene tetrachloride|Benzene, 1,2,4,5-tetrachloro-|BRN 1618315|EINECS 202-466-2|NSC 27003|RCRA waste number U207|s-Tetrachlorobenzene|UNII-5N27529KGH https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024320 https://doi.org/10.22427/NTP-DATA-DTXSID7024320
ERPathway2016 ERPathway2016_1774 1,2,4,5-Tetrachlorobenzene 95-94-3 DTXSID7024320 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=CC(Cl)=C(Cl)C=C1Cl 1,2,4,5-Tetrachlorobenzene 95-94-3|1,2,4,5-Tetrachlorobenzene|1,2,4,5-Tetrachlorbenzol|1,2,4,5-tetraclorobenceno|Benzene tetrachloride|Benzene, 1,2,4,5-tetrachloro-|BRN 1618315|EINECS 202-466-2|NSC 27003|RCRA waste number U207|s-Tetrachlorobenzene|UNII-5N27529KGH https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024320 https://doi.org/10.22427/NTP-DATA-DTXSID7024320
ARPathway2016 ARPathway2016_1772 1,2,4,5-Tetramethylbenzene 95-93-2 DTXSID1029124 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=C(C)C=C1C 1,2,4,5-Tetramethylbenzene 95-93-2|1,2,4,5-Tetramethylbenzene|1,2,4,5-Tetramethylbenzol|1,2,4,5-tetrametilbenceno|Benzene, 1,2,4,5-tetramethyl-|EINECS 202-465-7|NSC 6770|p-Xylene, 2,5-dimethyl-|UNII-181426CFYB https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029124
ARPathway2016 ARPathway2016_1772 1,2,4,5-Tetramethylbenzene 95-93-2 DTXSID1029124 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=C(C)C=C1C 1,2,4,5-Tetramethylbenzene 95-93-2|1,2,4,5-Tetramethylbenzene|1,2,4,5-Tetramethylbenzol|1,2,4,5-tetrametilbenceno|Benzene, 1,2,4,5-tetramethyl-|EINECS 202-465-7|NSC 6770|p-Xylene, 2,5-dimethyl-|UNII-181426CFYB https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029124
ARPathway2016 ARPathway2016_1772 1,2,4,5-Tetramethylbenzene 95-93-2 DTXSID1029124 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=C(C)C=C1C 1,2,4,5-Tetramethylbenzene 95-93-2|1,2,4,5-Tetramethylbenzene|1,2,4,5-Tetramethylbenzol|1,2,4,5-tetrametilbenceno|Benzene, 1,2,4,5-tetramethyl-|EINECS 202-465-7|NSC 6770|p-Xylene, 2,5-dimethyl-|UNII-181426CFYB https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029124
ARPathway2016 ARPathway2016_1772 1,2,4,5-Tetramethylbenzene 95-93-2 DTXSID1029124 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=C(C)C=C1C 1,2,4,5-Tetramethylbenzene 95-93-2|1,2,4,5-Tetramethylbenzene|1,2,4,5-Tetramethylbenzol|1,2,4,5-tetrametilbenceno|Benzene, 1,2,4,5-tetramethyl-|EINECS 202-465-7|NSC 6770|p-Xylene, 2,5-dimethyl-|UNII-181426CFYB https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029124
ERPathway2016 ERPathway2016_1773 1,2,4,5-Tetramethylbenzene 95-93-2 DTXSID1029124 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=C(C)C=C1C 1,2,4,5-Tetramethylbenzene 95-93-2|1,2,4,5-Tetramethylbenzene|1,2,4,5-Tetramethylbenzol|1,2,4,5-tetrametilbenceno|Benzene, 1,2,4,5-tetramethyl-|EINECS 202-465-7|NSC 6770|p-Xylene, 2,5-dimethyl-|UNII-181426CFYB https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029124
ERPathway2016 ERPathway2016_1773 1,2,4,5-Tetramethylbenzene 95-93-2 DTXSID1029124 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=C(C)C=C1C 1,2,4,5-Tetramethylbenzene 95-93-2|1,2,4,5-Tetramethylbenzene|1,2,4,5-Tetramethylbenzol|1,2,4,5-tetrametilbenceno|Benzene, 1,2,4,5-tetramethyl-|EINECS 202-465-7|NSC 6770|p-Xylene, 2,5-dimethyl-|UNII-181426CFYB https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029124
ERPathway2016 ERPathway2016_1773 1,2,4,5-Tetramethylbenzene 95-93-2 DTXSID1029124 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=C(C)C=C1C 1,2,4,5-Tetramethylbenzene 95-93-2|1,2,4,5-Tetramethylbenzene|1,2,4,5-Tetramethylbenzol|1,2,4,5-tetrametilbenceno|Benzene, 1,2,4,5-tetramethyl-|EINECS 202-465-7|NSC 6770|p-Xylene, 2,5-dimethyl-|UNII-181426CFYB https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029124
ERPathway2016 ERPathway2016_1773 1,2,4,5-Tetramethylbenzene 95-93-2 DTXSID1029124 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=C(C)C=C1C 1,2,4,5-Tetramethylbenzene 95-93-2|1,2,4,5-Tetramethylbenzene|1,2,4,5-Tetramethylbenzol|1,2,4,5-tetrametilbenceno|Benzene, 1,2,4,5-tetramethyl-|EINECS 202-465-7|NSC 6770|p-Xylene, 2,5-dimethyl-|UNII-181426CFYB https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029124
ARPathway2016 ARPathway2016_678 1,2,4-Trichlorobenzene 120-82-1 DTXSID0021965 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC(Cl)=C(Cl)C=C1 1,2,4-Trichlorobenzene 120-82-1|1,2,4-Trichlorobenzene|1,2,4-Trichlorbenzol|1,2,4-Trichlorobenzol|1,2,4-triclorobenceno|1,2,4-tris(chloranyl)benzene|1,2,5-Trichlorobenzene|1,3,4-Trichlorobenzene|as-trichlorobenzene|Benzene, 1,2,4-trichloro-|BRN 0956819|EINECS 204-428-0|Hostetex L-PEC|NSC 406697|Tricloro benceno|Trojchlorobenzen|UNII-05IQ959M1N|unsym-Trichlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021965 https://doi.org/10.22427/NTP-DATA-DTXSID0021965
ARPathway2016 ARPathway2016_678 1,2,4-Trichlorobenzene 120-82-1 DTXSID0021965 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC(Cl)=C(Cl)C=C1 1,2,4-Trichlorobenzene 120-82-1|1,2,4-Trichlorobenzene|1,2,4-Trichlorbenzol|1,2,4-Trichlorobenzol|1,2,4-triclorobenceno|1,2,4-tris(chloranyl)benzene|1,2,5-Trichlorobenzene|1,3,4-Trichlorobenzene|as-trichlorobenzene|Benzene, 1,2,4-trichloro-|BRN 0956819|EINECS 204-428-0|Hostetex L-PEC|NSC 406697|Tricloro benceno|Trojchlorobenzen|UNII-05IQ959M1N|unsym-Trichlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021965 https://doi.org/10.22427/NTP-DATA-DTXSID0021965
ARPathway2016 ARPathway2016_678 1,2,4-Trichlorobenzene 120-82-1 DTXSID0021965 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC1=CC(Cl)=C(Cl)C=C1 1,2,4-Trichlorobenzene 120-82-1|1,2,4-Trichlorobenzene|1,2,4-Trichlorbenzol|1,2,4-Trichlorobenzol|1,2,4-triclorobenceno|1,2,4-tris(chloranyl)benzene|1,2,5-Trichlorobenzene|1,3,4-Trichlorobenzene|as-trichlorobenzene|Benzene, 1,2,4-trichloro-|BRN 0956819|EINECS 204-428-0|Hostetex L-PEC|NSC 406697|Tricloro benceno|Trojchlorobenzen|UNII-05IQ959M1N|unsym-Trichlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021965 https://doi.org/10.22427/NTP-DATA-DTXSID0021965
ARPathway2016 ARPathway2016_678 1,2,4-Trichlorobenzene 120-82-1 DTXSID0021965 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC(Cl)=C(Cl)C=C1 1,2,4-Trichlorobenzene 120-82-1|1,2,4-Trichlorobenzene|1,2,4-Trichlorbenzol|1,2,4-Trichlorobenzol|1,2,4-triclorobenceno|1,2,4-tris(chloranyl)benzene|1,2,5-Trichlorobenzene|1,3,4-Trichlorobenzene|as-trichlorobenzene|Benzene, 1,2,4-trichloro-|BRN 0956819|EINECS 204-428-0|Hostetex L-PEC|NSC 406697|Tricloro benceno|Trojchlorobenzen|UNII-05IQ959M1N|unsym-Trichlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021965 https://doi.org/10.22427/NTP-DATA-DTXSID0021965
ERPathway2016 ERPathway2016_1213 1,2,4-Trichlorobenzene 120-82-1 DTXSID0021965 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=CC(Cl)=C(Cl)C=C1 1,2,4-Trichlorobenzene 120-82-1|1,2,4-Trichlorobenzene|1,2,4-Trichlorbenzol|1,2,4-Trichlorobenzol|1,2,4-triclorobenceno|1,2,4-tris(chloranyl)benzene|1,2,5-Trichlorobenzene|1,3,4-Trichlorobenzene|as-trichlorobenzene|Benzene, 1,2,4-trichloro-|BRN 0956819|EINECS 204-428-0|Hostetex L-PEC|NSC 406697|Tricloro benceno|Trojchlorobenzen|UNII-05IQ959M1N|unsym-Trichlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021965 https://doi.org/10.22427/NTP-DATA-DTXSID0021965
ERPathway2016 ERPathway2016_1213 1,2,4-Trichlorobenzene 120-82-1 DTXSID0021965 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC(Cl)=C(Cl)C=C1 1,2,4-Trichlorobenzene 120-82-1|1,2,4-Trichlorobenzene|1,2,4-Trichlorbenzol|1,2,4-Trichlorobenzol|1,2,4-triclorobenceno|1,2,4-tris(chloranyl)benzene|1,2,5-Trichlorobenzene|1,3,4-Trichlorobenzene|as-trichlorobenzene|Benzene, 1,2,4-trichloro-|BRN 0956819|EINECS 204-428-0|Hostetex L-PEC|NSC 406697|Tricloro benceno|Trojchlorobenzen|UNII-05IQ959M1N|unsym-Trichlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021965 https://doi.org/10.22427/NTP-DATA-DTXSID0021965
ERPathway2016 ERPathway2016_1213 1,2,4-Trichlorobenzene 120-82-1 DTXSID0021965 ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC(Cl)=C(Cl)C=C1 1,2,4-Trichlorobenzene 120-82-1|1,2,4-Trichlorobenzene|1,2,4-Trichlorbenzol|1,2,4-Trichlorobenzol|1,2,4-triclorobenceno|1,2,4-tris(chloranyl)benzene|1,2,5-Trichlorobenzene|1,3,4-Trichlorobenzene|as-trichlorobenzene|Benzene, 1,2,4-trichloro-|BRN 0956819|EINECS 204-428-0|Hostetex L-PEC|NSC 406697|Tricloro benceno|Trojchlorobenzen|UNII-05IQ959M1N|unsym-Trichlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021965 https://doi.org/10.22427/NTP-DATA-DTXSID0021965
ERPathway2016 ERPathway2016_1213 1,2,4-Trichlorobenzene 120-82-1 DTXSID0021965 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=CC(Cl)=C(Cl)C=C1 1,2,4-Trichlorobenzene 120-82-1|1,2,4-Trichlorobenzene|1,2,4-Trichlorbenzol|1,2,4-Trichlorobenzol|1,2,4-triclorobenceno|1,2,4-tris(chloranyl)benzene|1,2,5-Trichlorobenzene|1,3,4-Trichlorobenzene|as-trichlorobenzene|Benzene, 1,2,4-trichloro-|BRN 0956819|EINECS 204-428-0|Hostetex L-PEC|NSC 406697|Tricloro benceno|Trojchlorobenzen|UNII-05IQ959M1N|unsym-Trichlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021965 https://doi.org/10.22427/NTP-DATA-DTXSID0021965
ARPathway2016 ARPathway2016_1764 1,2,4-Trimethylbenzene 95-63-6 DTXSID6021402 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=C(C)C=C1 1,2,4-Trimethylbenzene 95-63-6|1,2,4-Trimethylbenzene|.psi.-Cumene|1,2, 4-Trimethylbenzene|1,2,4-Trimethyl-Benzene|1,2,4-Trimethylbenzene (ACD/Name 4.0)|1,2,4-Trimethylbenzene (pseudocumene)|1,2,4-Trimethylbenzol|1,2,4-trimetilbenceno|1,2,5-Trimethyl-Benzene|1,2,5-Trimethylbenzene|1,3,4-Trimethylbenzene|3,4-Dimethyltoluene|as-Trimethylbenzene|Asymmetrical trimethylbenzene|Benzene, 1,2,4-trimethyl|Benzene, 1,2,4-trimethyl-|Benzene, 1,2,5-trimethyl-|EINECS 202-436-9|laquo Psiraquo -Cumene|Methyl-p-xylene|NSC 65600|pseudo-Cumene|PSEUDOCUMENE|Pseudocumol|Psi-cumene|TRIMETHYLBENZENE, 1,2,4-|UNII-34X0W8052F|Uns-trimethylbenzene|ps-Cumene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021402
ARPathway2016 ARPathway2016_1764 1,2,4-Trimethylbenzene 95-63-6 DTXSID6021402 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=C(C)C=C1 1,2,4-Trimethylbenzene 95-63-6|1,2,4-Trimethylbenzene|.psi.-Cumene|1,2, 4-Trimethylbenzene|1,2,4-Trimethyl-Benzene|1,2,4-Trimethylbenzene (ACD/Name 4.0)|1,2,4-Trimethylbenzene (pseudocumene)|1,2,4-Trimethylbenzol|1,2,4-trimetilbenceno|1,2,5-Trimethyl-Benzene|1,2,5-Trimethylbenzene|1,3,4-Trimethylbenzene|3,4-Dimethyltoluene|as-Trimethylbenzene|Asymmetrical trimethylbenzene|Benzene, 1,2,4-trimethyl|Benzene, 1,2,4-trimethyl-|Benzene, 1,2,5-trimethyl-|EINECS 202-436-9|laquo Psiraquo -Cumene|Methyl-p-xylene|NSC 65600|pseudo-Cumene|PSEUDOCUMENE|Pseudocumol|Psi-cumene|TRIMETHYLBENZENE, 1,2,4-|UNII-34X0W8052F|Uns-trimethylbenzene|ps-Cumene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021402
ARPathway2016 ARPathway2016_1764 1,2,4-Trimethylbenzene 95-63-6 DTXSID6021402 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=C(C)C=C1 1,2,4-Trimethylbenzene 95-63-6|1,2,4-Trimethylbenzene|.psi.-Cumene|1,2, 4-Trimethylbenzene|1,2,4-Trimethyl-Benzene|1,2,4-Trimethylbenzene (ACD/Name 4.0)|1,2,4-Trimethylbenzene (pseudocumene)|1,2,4-Trimethylbenzol|1,2,4-trimetilbenceno|1,2,5-Trimethyl-Benzene|1,2,5-Trimethylbenzene|1,3,4-Trimethylbenzene|3,4-Dimethyltoluene|as-Trimethylbenzene|Asymmetrical trimethylbenzene|Benzene, 1,2,4-trimethyl|Benzene, 1,2,4-trimethyl-|Benzene, 1,2,5-trimethyl-|EINECS 202-436-9|laquo Psiraquo -Cumene|Methyl-p-xylene|NSC 65600|pseudo-Cumene|PSEUDOCUMENE|Pseudocumol|Psi-cumene|TRIMETHYLBENZENE, 1,2,4-|UNII-34X0W8052F|Uns-trimethylbenzene|ps-Cumene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021402
ARPathway2016 ARPathway2016_1764 1,2,4-Trimethylbenzene 95-63-6 DTXSID6021402 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=C(C)C=C1 1,2,4-Trimethylbenzene 95-63-6|1,2,4-Trimethylbenzene|.psi.-Cumene|1,2, 4-Trimethylbenzene|1,2,4-Trimethyl-Benzene|1,2,4-Trimethylbenzene (ACD/Name 4.0)|1,2,4-Trimethylbenzene (pseudocumene)|1,2,4-Trimethylbenzol|1,2,4-trimetilbenceno|1,2,5-Trimethyl-Benzene|1,2,5-Trimethylbenzene|1,3,4-Trimethylbenzene|3,4-Dimethyltoluene|as-Trimethylbenzene|Asymmetrical trimethylbenzene|Benzene, 1,2,4-trimethyl|Benzene, 1,2,4-trimethyl-|Benzene, 1,2,5-trimethyl-|EINECS 202-436-9|laquo Psiraquo -Cumene|Methyl-p-xylene|NSC 65600|pseudo-Cumene|PSEUDOCUMENE|Pseudocumol|Psi-cumene|TRIMETHYLBENZENE, 1,2,4-|UNII-34X0W8052F|Uns-trimethylbenzene|ps-Cumene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021402
ERPathway2016 ERPathway2016_1770 1,2,4-Trimethylbenzene 95-63-6 DTXSID6021402 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=C(C)C=C1 1,2,4-Trimethylbenzene 95-63-6|1,2,4-Trimethylbenzene|.psi.-Cumene|1,2, 4-Trimethylbenzene|1,2,4-Trimethyl-Benzene|1,2,4-Trimethylbenzene (ACD/Name 4.0)|1,2,4-Trimethylbenzene (pseudocumene)|1,2,4-Trimethylbenzol|1,2,4-trimetilbenceno|1,2,5-Trimethyl-Benzene|1,2,5-Trimethylbenzene|1,3,4-Trimethylbenzene|3,4-Dimethyltoluene|as-Trimethylbenzene|Asymmetrical trimethylbenzene|Benzene, 1,2,4-trimethyl|Benzene, 1,2,4-trimethyl-|Benzene, 1,2,5-trimethyl-|EINECS 202-436-9|laquo Psiraquo -Cumene|Methyl-p-xylene|NSC 65600|pseudo-Cumene|PSEUDOCUMENE|Pseudocumol|Psi-cumene|TRIMETHYLBENZENE, 1,2,4-|UNII-34X0W8052F|Uns-trimethylbenzene|ps-Cumene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021402
ERPathway2016 ERPathway2016_1770 1,2,4-Trimethylbenzene 95-63-6 DTXSID6021402 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=C(C)C=C1 1,2,4-Trimethylbenzene 95-63-6|1,2,4-Trimethylbenzene|.psi.-Cumene|1,2, 4-Trimethylbenzene|1,2,4-Trimethyl-Benzene|1,2,4-Trimethylbenzene (ACD/Name 4.0)|1,2,4-Trimethylbenzene (pseudocumene)|1,2,4-Trimethylbenzol|1,2,4-trimetilbenceno|1,2,5-Trimethyl-Benzene|1,2,5-Trimethylbenzene|1,3,4-Trimethylbenzene|3,4-Dimethyltoluene|as-Trimethylbenzene|Asymmetrical trimethylbenzene|Benzene, 1,2,4-trimethyl|Benzene, 1,2,4-trimethyl-|Benzene, 1,2,5-trimethyl-|EINECS 202-436-9|laquo Psiraquo -Cumene|Methyl-p-xylene|NSC 65600|pseudo-Cumene|PSEUDOCUMENE|Pseudocumol|Psi-cumene|TRIMETHYLBENZENE, 1,2,4-|UNII-34X0W8052F|Uns-trimethylbenzene|ps-Cumene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021402
ERPathway2016 ERPathway2016_1770 1,2,4-Trimethylbenzene 95-63-6 DTXSID6021402 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=C(C)C=C1 1,2,4-Trimethylbenzene 95-63-6|1,2,4-Trimethylbenzene|.psi.-Cumene|1,2, 4-Trimethylbenzene|1,2,4-Trimethyl-Benzene|1,2,4-Trimethylbenzene (ACD/Name 4.0)|1,2,4-Trimethylbenzene (pseudocumene)|1,2,4-Trimethylbenzol|1,2,4-trimetilbenceno|1,2,5-Trimethyl-Benzene|1,2,5-Trimethylbenzene|1,3,4-Trimethylbenzene|3,4-Dimethyltoluene|as-Trimethylbenzene|Asymmetrical trimethylbenzene|Benzene, 1,2,4-trimethyl|Benzene, 1,2,4-trimethyl-|Benzene, 1,2,5-trimethyl-|EINECS 202-436-9|laquo Psiraquo -Cumene|Methyl-p-xylene|NSC 65600|pseudo-Cumene|PSEUDOCUMENE|Pseudocumol|Psi-cumene|TRIMETHYLBENZENE, 1,2,4-|UNII-34X0W8052F|Uns-trimethylbenzene|ps-Cumene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021402
ERPathway2016 ERPathway2016_1770 1,2,4-Trimethylbenzene 95-63-6 DTXSID6021402 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=C(C)C=C1 1,2,4-Trimethylbenzene 95-63-6|1,2,4-Trimethylbenzene|.psi.-Cumene|1,2, 4-Trimethylbenzene|1,2,4-Trimethyl-Benzene|1,2,4-Trimethylbenzene (ACD/Name 4.0)|1,2,4-Trimethylbenzene (pseudocumene)|1,2,4-Trimethylbenzol|1,2,4-trimetilbenceno|1,2,5-Trimethyl-Benzene|1,2,5-Trimethylbenzene|1,3,4-Trimethylbenzene|3,4-Dimethyltoluene|as-Trimethylbenzene|Asymmetrical trimethylbenzene|Benzene, 1,2,4-trimethyl|Benzene, 1,2,4-trimethyl-|Benzene, 1,2,5-trimethyl-|EINECS 202-436-9|laquo Psiraquo -Cumene|Methyl-p-xylene|NSC 65600|pseudo-Cumene|PSEUDOCUMENE|Pseudocumol|Psi-cumene|TRIMETHYLBENZENE, 1,2,4-|UNII-34X0W8052F|Uns-trimethylbenzene|ps-Cumene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021402
ARPathway2016 ARPathway2016_152 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6 DTXSID4027527 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Agonist AC50 33.89143896 uM BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6|1,2,5,6,9,10-Hexabromocyclododecane|1,2,5,6,9,10- HEXABROMOCYCLODODECANE|1,2,5,6,9,10-Heaxbromocyclododecane hbcd|1,2,5,6,9,10-Hexabromcyclodecan|1,2,5,6,9,10-hexabromociclodecano|1,2,5,6,9,10-Hexabromocyclodecane|Bromkal 73-6D|Cyclododecane, 1,2,5,6,9,10-hexabromo-|CYCLODODECANE, 12,5,6,9,10-HEXABROMO-|EINECS 221-695-9|FR 1206|FR 1206HT|HBCD|HBCDD|Hexabromocyclododecane|Pyroguard SR 104|SR 104|UNII-66OON1WWOS|YM 88A|23774-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027527
ARPathway2016 ARPathway2016_152 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6 DTXSID4027527 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Agonist ACC 51.03188982 uM BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6|1,2,5,6,9,10-Hexabromocyclododecane|1,2,5,6,9,10- HEXABROMOCYCLODODECANE|1,2,5,6,9,10-Heaxbromocyclododecane hbcd|1,2,5,6,9,10-Hexabromcyclodecan|1,2,5,6,9,10-hexabromociclodecano|1,2,5,6,9,10-Hexabromocyclodecane|Bromkal 73-6D|Cyclododecane, 1,2,5,6,9,10-hexabromo-|CYCLODODECANE, 12,5,6,9,10-HEXABROMO-|EINECS 221-695-9|FR 1206|FR 1206HT|HBCD|HBCDD|Hexabromocyclododecane|Pyroguard SR 104|SR 104|UNII-66OON1WWOS|YM 88A|23774-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027527
ARPathway2016 ARPathway2016_152 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6 DTXSID4027527 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Antagonist Model Score 0.0454 Unitless BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6|1,2,5,6,9,10-Hexabromocyclododecane|1,2,5,6,9,10- HEXABROMOCYCLODODECANE|1,2,5,6,9,10-Heaxbromocyclododecane hbcd|1,2,5,6,9,10-Hexabromcyclodecan|1,2,5,6,9,10-hexabromociclodecano|1,2,5,6,9,10-Hexabromocyclodecane|Bromkal 73-6D|Cyclododecane, 1,2,5,6,9,10-hexabromo-|CYCLODODECANE, 12,5,6,9,10-HEXABROMO-|EINECS 221-695-9|FR 1206|FR 1206HT|HBCD|HBCDD|Hexabromocyclododecane|Pyroguard SR 104|SR 104|UNII-66OON1WWOS|YM 88A|23774-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027527
ARPathway2016 ARPathway2016_152 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6 DTXSID4027527 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6|1,2,5,6,9,10-Hexabromocyclododecane|1,2,5,6,9,10- HEXABROMOCYCLODODECANE|1,2,5,6,9,10-Heaxbromocyclododecane hbcd|1,2,5,6,9,10-Hexabromcyclodecan|1,2,5,6,9,10-hexabromociclodecano|1,2,5,6,9,10-Hexabromocyclodecane|Bromkal 73-6D|Cyclododecane, 1,2,5,6,9,10-hexabromo-|CYCLODODECANE, 12,5,6,9,10-HEXABROMO-|EINECS 221-695-9|FR 1206|FR 1206HT|HBCD|HBCDD|Hexabromocyclododecane|Pyroguard SR 104|SR 104|UNII-66OON1WWOS|YM 88A|23774-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027527
ARPathway2016 ARPathway2016_152 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6 DTXSID4027527 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Agonist Call Active Unitless BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6|1,2,5,6,9,10-Hexabromocyclododecane|1,2,5,6,9,10- HEXABROMOCYCLODODECANE|1,2,5,6,9,10-Heaxbromocyclododecane hbcd|1,2,5,6,9,10-Hexabromcyclodecan|1,2,5,6,9,10-hexabromociclodecano|1,2,5,6,9,10-Hexabromocyclodecane|Bromkal 73-6D|Cyclododecane, 1,2,5,6,9,10-hexabromo-|CYCLODODECANE, 12,5,6,9,10-HEXABROMO-|EINECS 221-695-9|FR 1206|FR 1206HT|HBCD|HBCDD|Hexabromocyclododecane|Pyroguard SR 104|SR 104|UNII-66OON1WWOS|YM 88A|23774-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027527
ARPathway2016 ARPathway2016_152 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6 DTXSID4027527 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6|1,2,5,6,9,10-Hexabromocyclododecane|1,2,5,6,9,10- HEXABROMOCYCLODODECANE|1,2,5,6,9,10-Heaxbromocyclododecane hbcd|1,2,5,6,9,10-Hexabromcyclodecan|1,2,5,6,9,10-hexabromociclodecano|1,2,5,6,9,10-Hexabromocyclodecane|Bromkal 73-6D|Cyclododecane, 1,2,5,6,9,10-hexabromo-|CYCLODODECANE, 12,5,6,9,10-HEXABROMO-|EINECS 221-695-9|FR 1206|FR 1206HT|HBCD|HBCDD|Hexabromocyclododecane|Pyroguard SR 104|SR 104|UNII-66OON1WWOS|YM 88A|23774-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027527
ERPathway2016 ERPathway2016_1448 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6 DTXSID4027527 ER Pathway Model, Agonist Model Score 0 Unitless BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6|1,2,5,6,9,10-Hexabromocyclododecane|1,2,5,6,9,10- HEXABROMOCYCLODODECANE|1,2,5,6,9,10-Heaxbromocyclododecane hbcd|1,2,5,6,9,10-Hexabromcyclodecan|1,2,5,6,9,10-hexabromociclodecano|1,2,5,6,9,10-Hexabromocyclodecane|Bromkal 73-6D|Cyclododecane, 1,2,5,6,9,10-hexabromo-|CYCLODODECANE, 12,5,6,9,10-HEXABROMO-|EINECS 221-695-9|FR 1206|FR 1206HT|HBCD|HBCDD|Hexabromocyclododecane|Pyroguard SR 104|SR 104|UNII-66OON1WWOS|YM 88A|23774-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027527
ERPathway2016 ERPathway2016_1448 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6 DTXSID4027527 ER Pathway Model, Antagonist Model Score 0 Unitless BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6|1,2,5,6,9,10-Hexabromocyclododecane|1,2,5,6,9,10- HEXABROMOCYCLODODECANE|1,2,5,6,9,10-Heaxbromocyclododecane hbcd|1,2,5,6,9,10-Hexabromcyclodecan|1,2,5,6,9,10-hexabromociclodecano|1,2,5,6,9,10-Hexabromocyclodecane|Bromkal 73-6D|Cyclododecane, 1,2,5,6,9,10-hexabromo-|CYCLODODECANE, 12,5,6,9,10-HEXABROMO-|EINECS 221-695-9|FR 1206|FR 1206HT|HBCD|HBCDD|Hexabromocyclododecane|Pyroguard SR 104|SR 104|UNII-66OON1WWOS|YM 88A|23774-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027527
ERPathway2016 ERPathway2016_1448 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6 DTXSID4027527 ER Pathway Model, Agonist Call Inactive Unitless BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6|1,2,5,6,9,10-Hexabromocyclododecane|1,2,5,6,9,10- HEXABROMOCYCLODODECANE|1,2,5,6,9,10-Heaxbromocyclododecane hbcd|1,2,5,6,9,10-Hexabromcyclodecan|1,2,5,6,9,10-hexabromociclodecano|1,2,5,6,9,10-Hexabromocyclodecane|Bromkal 73-6D|Cyclododecane, 1,2,5,6,9,10-hexabromo-|CYCLODODECANE, 12,5,6,9,10-HEXABROMO-|EINECS 221-695-9|FR 1206|FR 1206HT|HBCD|HBCDD|Hexabromocyclododecane|Pyroguard SR 104|SR 104|UNII-66OON1WWOS|YM 88A|23774-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027527
ERPathway2016 ERPathway2016_1448 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6 DTXSID4027527 ER Pathway Model, Antagonist Call Inactive Unitless BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br 1,2,5,6,9,10-Hexabromocyclododecane 3194-55-6|1,2,5,6,9,10-Hexabromocyclododecane|1,2,5,6,9,10- HEXABROMOCYCLODODECANE|1,2,5,6,9,10-Heaxbromocyclododecane hbcd|1,2,5,6,9,10-Hexabromcyclodecan|1,2,5,6,9,10-hexabromociclodecano|1,2,5,6,9,10-Hexabromocyclodecane|Bromkal 73-6D|Cyclododecane, 1,2,5,6,9,10-hexabromo-|CYCLODODECANE, 12,5,6,9,10-HEXABROMO-|EINECS 221-695-9|FR 1206|FR 1206HT|HBCD|HBCDD|Hexabromocyclododecane|Pyroguard SR 104|SR 104|UNII-66OON1WWOS|YM 88A|23774-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027527
ARPathway2016 ARPathway2016_243 1,2-Benzenedicarboxaldehyde 643-79-8 DTXSID6032514 FLAG: Wrong direction shift (Hit/Hit) 0.0 A8 AR Pathway Model, Agonist AC50 36.74889741 uM O=CC1=CC=CC=C1C=O 1,2-Benzenedicarboxaldehyde 643-79-8|1,2-Benzenedicarboxaldehyde|1,2-Diformylbenzene|1,2-Phthalaldehyde|2-Formylbenzaldehyde|2-Phthalaldehyde|4-07-00-02138|Benzene-1,2-dicarbaldehyde|BRN 0878317|CIDEX OPA|EINECS 211-402-2|ftalaldehido|NSC 13394|o-Benzenedicarbaldehyde|o-Diformylbenzene|o-Phthalaldehyde|o-Phthaldehyde|o-Phthaldialdehyde|o-Phthalic dialdehyde|o-Phthalicdicarboxaldehyde|OPA|OPTA|Phtalaldehyde|Phtalaldehydes|Phthalaldehyd|phthalaldehyde|Phthalaldialdehyde|Phthaldialdehyde|Phthalic aldehyde|Phthalic dialdehyde|Phthalic dicarboxaldehyde|Phthalyldicarboxaldehyde|Phtharal|UNII-4P8QP9768A https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032514 https://doi.org/10.22427/NTP-DATA-DTXSID6032514
ARPathway2016 ARPathway2016_243 1,2-Benzenedicarboxaldehyde 643-79-8 DTXSID6032514 FLAG: Wrong direction shift (Hit/Hit) 0.0 A8 AR Pathway Model, Agonist ACC 41.75178453 uM O=CC1=CC=CC=C1C=O 1,2-Benzenedicarboxaldehyde 643-79-8|1,2-Benzenedicarboxaldehyde|1,2-Diformylbenzene|1,2-Phthalaldehyde|2-Formylbenzaldehyde|2-Phthalaldehyde|4-07-00-02138|Benzene-1,2-dicarbaldehyde|BRN 0878317|CIDEX OPA|EINECS 211-402-2|ftalaldehido|NSC 13394|o-Benzenedicarbaldehyde|o-Diformylbenzene|o-Phthalaldehyde|o-Phthaldehyde|o-Phthaldialdehyde|o-Phthalic dialdehyde|o-Phthalicdicarboxaldehyde|OPA|OPTA|Phtalaldehyde|Phtalaldehydes|Phthalaldehyd|phthalaldehyde|Phthalaldialdehyde|Phthaldialdehyde|Phthalic aldehyde|Phthalic dialdehyde|Phthalic dicarboxaldehyde|Phthalyldicarboxaldehyde|Phtharal|UNII-4P8QP9768A https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032514 https://doi.org/10.22427/NTP-DATA-DTXSID6032514
ARPathway2016 ARPathway2016_243 1,2-Benzenedicarboxaldehyde 643-79-8 DTXSID6032514 FLAG: Wrong direction shift (Hit/Hit) 0.0 A8 AR Pathway Model, Antagonist Model Score 0.0481 Unitless O=CC1=CC=CC=C1C=O 1,2-Benzenedicarboxaldehyde 643-79-8|1,2-Benzenedicarboxaldehyde|1,2-Diformylbenzene|1,2-Phthalaldehyde|2-Formylbenzaldehyde|2-Phthalaldehyde|4-07-00-02138|Benzene-1,2-dicarbaldehyde|BRN 0878317|CIDEX OPA|EINECS 211-402-2|ftalaldehido|NSC 13394|o-Benzenedicarbaldehyde|o-Diformylbenzene|o-Phthalaldehyde|o-Phthaldehyde|o-Phthaldialdehyde|o-Phthalic dialdehyde|o-Phthalicdicarboxaldehyde|OPA|OPTA|Phtalaldehyde|Phtalaldehydes|Phthalaldehyd|phthalaldehyde|Phthalaldialdehyde|Phthaldialdehyde|Phthalic aldehyde|Phthalic dialdehyde|Phthalic dicarboxaldehyde|Phthalyldicarboxaldehyde|Phtharal|UNII-4P8QP9768A https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032514 https://doi.org/10.22427/NTP-DATA-DTXSID6032514
ARPathway2016 ARPathway2016_243 1,2-Benzenedicarboxaldehyde 643-79-8 DTXSID6032514 FLAG: Wrong direction shift (Hit/Hit) 0.0 A8 AR Pathway Model, Agonist Model Score 0 Unitless O=CC1=CC=CC=C1C=O 1,2-Benzenedicarboxaldehyde 643-79-8|1,2-Benzenedicarboxaldehyde|1,2-Diformylbenzene|1,2-Phthalaldehyde|2-Formylbenzaldehyde|2-Phthalaldehyde|4-07-00-02138|Benzene-1,2-dicarbaldehyde|BRN 0878317|CIDEX OPA|EINECS 211-402-2|ftalaldehido|NSC 13394|o-Benzenedicarbaldehyde|o-Diformylbenzene|o-Phthalaldehyde|o-Phthaldehyde|o-Phthaldialdehyde|o-Phthalic dialdehyde|o-Phthalicdicarboxaldehyde|OPA|OPTA|Phtalaldehyde|Phtalaldehydes|Phthalaldehyd|phthalaldehyde|Phthalaldialdehyde|Phthaldialdehyde|Phthalic aldehyde|Phthalic dialdehyde|Phthalic dicarboxaldehyde|Phthalyldicarboxaldehyde|Phtharal|UNII-4P8QP9768A https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032514 https://doi.org/10.22427/NTP-DATA-DTXSID6032514
ARPathway2016 ARPathway2016_243 1,2-Benzenedicarboxaldehyde 643-79-8 DTXSID6032514 FLAG: Wrong direction shift (Hit/Hit) 0.0 A8 AR Pathway Model, Agonist Call Active Unitless O=CC1=CC=CC=C1C=O 1,2-Benzenedicarboxaldehyde 643-79-8|1,2-Benzenedicarboxaldehyde|1,2-Diformylbenzene|1,2-Phthalaldehyde|2-Formylbenzaldehyde|2-Phthalaldehyde|4-07-00-02138|Benzene-1,2-dicarbaldehyde|BRN 0878317|CIDEX OPA|EINECS 211-402-2|ftalaldehido|NSC 13394|o-Benzenedicarbaldehyde|o-Diformylbenzene|o-Phthalaldehyde|o-Phthaldehyde|o-Phthaldialdehyde|o-Phthalic dialdehyde|o-Phthalicdicarboxaldehyde|OPA|OPTA|Phtalaldehyde|Phtalaldehydes|Phthalaldehyd|phthalaldehyde|Phthalaldialdehyde|Phthaldialdehyde|Phthalic aldehyde|Phthalic dialdehyde|Phthalic dicarboxaldehyde|Phthalyldicarboxaldehyde|Phtharal|UNII-4P8QP9768A https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032514 https://doi.org/10.22427/NTP-DATA-DTXSID6032514
ARPathway2016 ARPathway2016_243 1,2-Benzenedicarboxaldehyde 643-79-8 DTXSID6032514 FLAG: Wrong direction shift (Hit/Hit) 0.0 A8 AR Pathway Model, Antagonist Call Inactive Unitless O=CC1=CC=CC=C1C=O 1,2-Benzenedicarboxaldehyde 643-79-8|1,2-Benzenedicarboxaldehyde|1,2-Diformylbenzene|1,2-Phthalaldehyde|2-Formylbenzaldehyde|2-Phthalaldehyde|4-07-00-02138|Benzene-1,2-dicarbaldehyde|BRN 0878317|CIDEX OPA|EINECS 211-402-2|ftalaldehido|NSC 13394|o-Benzenedicarbaldehyde|o-Diformylbenzene|o-Phthalaldehyde|o-Phthaldehyde|o-Phthaldialdehyde|o-Phthalic dialdehyde|o-Phthalicdicarboxaldehyde|OPA|OPTA|Phtalaldehyde|Phtalaldehydes|Phthalaldehyd|phthalaldehyde|Phthalaldialdehyde|Phthaldialdehyde|Phthalic aldehyde|Phthalic dialdehyde|Phthalic dicarboxaldehyde|Phthalyldicarboxaldehyde|Phtharal|UNII-4P8QP9768A https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032514 https://doi.org/10.22427/NTP-DATA-DTXSID6032514
ERPathway2016 ERPathway2016_987 1,2-Benzenedicarboxaldehyde 643-79-8 DTXSID6032514 ER Pathway Model, Agonist Model Score 0 Unitless O=CC1=CC=CC=C1C=O 1,2-Benzenedicarboxaldehyde 643-79-8|1,2-Benzenedicarboxaldehyde|1,2-Diformylbenzene|1,2-Phthalaldehyde|2-Formylbenzaldehyde|2-Phthalaldehyde|4-07-00-02138|Benzene-1,2-dicarbaldehyde|BRN 0878317|CIDEX OPA|EINECS 211-402-2|ftalaldehido|NSC 13394|o-Benzenedicarbaldehyde|o-Diformylbenzene|o-Phthalaldehyde|o-Phthaldehyde|o-Phthaldialdehyde|o-Phthalic dialdehyde|o-Phthalicdicarboxaldehyde|OPA|OPTA|Phtalaldehyde|Phtalaldehydes|Phthalaldehyd|phthalaldehyde|Phthalaldialdehyde|Phthaldialdehyde|Phthalic aldehyde|Phthalic dialdehyde|Phthalic dicarboxaldehyde|Phthalyldicarboxaldehyde|Phtharal|UNII-4P8QP9768A https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032514 https://doi.org/10.22427/NTP-DATA-DTXSID6032514
ERPathway2016 ERPathway2016_987 1,2-Benzenedicarboxaldehyde 643-79-8 DTXSID6032514 ER Pathway Model, Antagonist Model Score 0 Unitless O=CC1=CC=CC=C1C=O 1,2-Benzenedicarboxaldehyde 643-79-8|1,2-Benzenedicarboxaldehyde|1,2-Diformylbenzene|1,2-Phthalaldehyde|2-Formylbenzaldehyde|2-Phthalaldehyde|4-07-00-02138|Benzene-1,2-dicarbaldehyde|BRN 0878317|CIDEX OPA|EINECS 211-402-2|ftalaldehido|NSC 13394|o-Benzenedicarbaldehyde|o-Diformylbenzene|o-Phthalaldehyde|o-Phthaldehyde|o-Phthaldialdehyde|o-Phthalic dialdehyde|o-Phthalicdicarboxaldehyde|OPA|OPTA|Phtalaldehyde|Phtalaldehydes|Phthalaldehyd|phthalaldehyde|Phthalaldialdehyde|Phthaldialdehyde|Phthalic aldehyde|Phthalic dialdehyde|Phthalic dicarboxaldehyde|Phthalyldicarboxaldehyde|Phtharal|UNII-4P8QP9768A https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032514 https://doi.org/10.22427/NTP-DATA-DTXSID6032514
ERPathway2016 ERPathway2016_987 1,2-Benzenedicarboxaldehyde 643-79-8 DTXSID6032514 ER Pathway Model, Agonist Call Inactive Unitless O=CC1=CC=CC=C1C=O 1,2-Benzenedicarboxaldehyde 643-79-8|1,2-Benzenedicarboxaldehyde|1,2-Diformylbenzene|1,2-Phthalaldehyde|2-Formylbenzaldehyde|2-Phthalaldehyde|4-07-00-02138|Benzene-1,2-dicarbaldehyde|BRN 0878317|CIDEX OPA|EINECS 211-402-2|ftalaldehido|NSC 13394|o-Benzenedicarbaldehyde|o-Diformylbenzene|o-Phthalaldehyde|o-Phthaldehyde|o-Phthaldialdehyde|o-Phthalic dialdehyde|o-Phthalicdicarboxaldehyde|OPA|OPTA|Phtalaldehyde|Phtalaldehydes|Phthalaldehyd|phthalaldehyde|Phthalaldialdehyde|Phthaldialdehyde|Phthalic aldehyde|Phthalic dialdehyde|Phthalic dicarboxaldehyde|Phthalyldicarboxaldehyde|Phtharal|UNII-4P8QP9768A https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032514 https://doi.org/10.22427/NTP-DATA-DTXSID6032514
ERPathway2016 ERPathway2016_987 1,2-Benzenedicarboxaldehyde 643-79-8 DTXSID6032514 ER Pathway Model, Antagonist Call Inactive Unitless O=CC1=CC=CC=C1C=O 1,2-Benzenedicarboxaldehyde 643-79-8|1,2-Benzenedicarboxaldehyde|1,2-Diformylbenzene|1,2-Phthalaldehyde|2-Formylbenzaldehyde|2-Phthalaldehyde|4-07-00-02138|Benzene-1,2-dicarbaldehyde|BRN 0878317|CIDEX OPA|EINECS 211-402-2|ftalaldehido|NSC 13394|o-Benzenedicarbaldehyde|o-Diformylbenzene|o-Phthalaldehyde|o-Phthaldehyde|o-Phthaldialdehyde|o-Phthalic dialdehyde|o-Phthalicdicarboxaldehyde|OPA|OPTA|Phtalaldehyde|Phtalaldehydes|Phthalaldehyd|phthalaldehyde|Phthalaldialdehyde|Phthaldialdehyde|Phthalic aldehyde|Phthalic dialdehyde|Phthalic dicarboxaldehyde|Phthalyldicarboxaldehyde|Phtharal|UNII-4P8QP9768A https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032514 https://doi.org/10.22427/NTP-DATA-DTXSID6032514
ARPathway2016 ARPathway2016_1486 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich 68515-49-1 DTXSID0028666 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich 68515-49-1|1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich|271-091-4|C10-Rich di-C9-11-branched alkyl phthalates|EC No.: 271-091-4|EINECS 271-091-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028666
ARPathway2016 ARPathway2016_1486 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich 68515-49-1 DTXSID0028666 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich 68515-49-1|1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich|271-091-4|C10-Rich di-C9-11-branched alkyl phthalates|EC No.: 271-091-4|EINECS 271-091-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028666
ARPathway2016 ARPathway2016_1486 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich 68515-49-1 DTXSID0028666 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich 68515-49-1|1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich|271-091-4|C10-Rich di-C9-11-branched alkyl phthalates|EC No.: 271-091-4|EINECS 271-091-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028666
ARPathway2016 ARPathway2016_1486 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich 68515-49-1 DTXSID0028666 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich 68515-49-1|1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich|271-091-4|C10-Rich di-C9-11-branched alkyl phthalates|EC No.: 271-091-4|EINECS 271-091-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028666
ERPathway2016 ERPathway2016_1612 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich 68515-49-1 DTXSID0028666 ER Pathway Model, Agonist Model Score 0 Unitless 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich 68515-49-1|1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich|271-091-4|C10-Rich di-C9-11-branched alkyl phthalates|EC No.: 271-091-4|EINECS 271-091-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028666
ERPathway2016 ERPathway2016_1612 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich 68515-49-1 DTXSID0028666 ER Pathway Model, Antagonist Model Score 0 Unitless 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich 68515-49-1|1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich|271-091-4|C10-Rich di-C9-11-branched alkyl phthalates|EC No.: 271-091-4|EINECS 271-091-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028666
ERPathway2016 ERPathway2016_1612 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich 68515-49-1 DTXSID0028666 ER Pathway Model, Agonist Call Inactive Unitless 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich 68515-49-1|1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich|271-091-4|C10-Rich di-C9-11-branched alkyl phthalates|EC No.: 271-091-4|EINECS 271-091-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028666
ERPathway2016 ERPathway2016_1612 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich 68515-49-1 DTXSID0028666 ER Pathway Model, Antagonist Call Inactive Unitless 1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich 68515-49-1|1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich|271-091-4|C10-Rich di-C9-11-branched alkyl phthalates|EC No.: 271-091-4|EINECS 271-091-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028666
ARPathway2016 ARPathway2016_1648 1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear 85507-79-5 DTXSID4029565 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless 1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear 85507-79-5|1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear|1,2-Benzenedicarboxylic acid, 1,2-diundecyl ester, branched and linear|1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear|Diundecyl phthalate, branched and linear|EINECS 287-401-6|Phthalic acid, diundecyl ester, branched and linear https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029565
ARPathway2016 ARPathway2016_1648 1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear 85507-79-5 DTXSID4029565 0.0 AR Pathway Model, Agonist Model Score 0 Unitless 1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear 85507-79-5|1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear|1,2-Benzenedicarboxylic acid, 1,2-diundecyl ester, branched and linear|1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear|Diundecyl phthalate, branched and linear|EINECS 287-401-6|Phthalic acid, diundecyl ester, branched and linear https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029565
ARPathway2016 ARPathway2016_1648 1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear 85507-79-5 DTXSID4029565 0.0 AR Pathway Model, Agonist Call Inactive Unitless 1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear 85507-79-5|1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear|1,2-Benzenedicarboxylic acid, 1,2-diundecyl ester, branched and linear|1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear|Diundecyl phthalate, branched and linear|EINECS 287-401-6|Phthalic acid, diundecyl ester, branched and linear https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029565
ARPathway2016 ARPathway2016_1648 1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear 85507-79-5 DTXSID4029565 0.0 AR Pathway Model, Antagonist Call Inactive Unitless 1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear 85507-79-5|1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear|1,2-Benzenedicarboxylic acid, 1,2-diundecyl ester, branched and linear|1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear|Diundecyl phthalate, branched and linear|EINECS 287-401-6|Phthalic acid, diundecyl ester, branched and linear https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029565
ERPathway2016 ERPathway2016_1705 1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear 85507-79-5 DTXSID4029565 ER Pathway Model, Agonist Model Score 0 Unitless 1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear 85507-79-5|1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear|1,2-Benzenedicarboxylic acid, 1,2-diundecyl ester, branched and linear|1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear|Diundecyl phthalate, branched and linear|EINECS 287-401-6|Phthalic acid, diundecyl ester, branched and linear https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029565
ERPathway2016 ERPathway2016_1705 1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear 85507-79-5 DTXSID4029565 ER Pathway Model, Antagonist Model Score 0 Unitless 1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear 85507-79-5|1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear|1,2-Benzenedicarboxylic acid, 1,2-diundecyl ester, branched and linear|1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear|Diundecyl phthalate, branched and linear|EINECS 287-401-6|Phthalic acid, diundecyl ester, branched and linear https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029565
ERPathway2016 ERPathway2016_1705 1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear 85507-79-5 DTXSID4029565 ER Pathway Model, Agonist Call Inactive Unitless 1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear 85507-79-5|1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear|1,2-Benzenedicarboxylic acid, 1,2-diundecyl ester, branched and linear|1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear|Diundecyl phthalate, branched and linear|EINECS 287-401-6|Phthalic acid, diundecyl ester, branched and linear https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029565
ERPathway2016 ERPathway2016_1705 1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear 85507-79-5 DTXSID4029565 ER Pathway Model, Antagonist Call Inactive Unitless 1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear 85507-79-5|1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear|1,2-Benzenedicarboxylic acid, 1,2-diundecyl ester, branched and linear|1,2-Benzenedicarboxylic acid, diundecyl ester, branched and linear|Diundecyl phthalate, branched and linear|EINECS 287-401-6|Phthalic acid, diundecyl ester, branched and linear https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029565
ARPathway2016 ARPathway2016_132 1,2-Benzisothiazolin-3-one 2634-33-5 DTXSID5032523 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 52.0485260077318 uM O=C1NSC2=C1C=CC=C2 1,2-Benzisothiazolin-3-one 2634-33-5|1,2-Benzisothiazolin-3-one|1,2-bencisotiazol-3(2H)-ona|1,2-benzisothiazol-3-(2H)-ONE|1,2-Benzisothiazol-3-one|1,2-Benzisothiazol-3(2H)-on|1,2-Benzisothiazol-3(2H)-one|1,2-benzisothiazole-3(2H)-one|1,2-Benzisothiazoline-3-one|1,2-Benzisothiazolone|1,2-Benzoisothiazol-3-one|1,2-Benzothiazoline-3-one|2,3-dihydro-3-oxo-1,2-benzisothiazole|3-BENZISOTHIAZOLINON|3-Hydroxy-1,2-benzisothiazole|Apizas AP-DS|BENZISOTHIAZOL(1,2)-3(2H)-ONE|Benzisothiazolinone|Benzisothiazolone|benzo[d]isothiazol-3-one|Benzo[d]isothiazol-3(2H)-one|Benzocil|Bestcide 200K|BIT|Canguard BIT|Caswell No. 079A|Caswell No. 513A|Denicide BIT|Denicide BIT 20N|EINECS 220-120-9|EPA Pesticide Chemical Code 098901|IPX|Nipacide BIT|Nipacide BIT 20|Nuosept 485|Nuosept 491|Nuosept 495|Parmetol B 70|Proxel|Proxel AB|Proxel BD|Proxel BD 20|Proxel BDN|Proxel CF|Proxel GXL|Proxel HL 2|Proxel LV-S|Proxel PL|Proxel Press Paste|Proxel Press Paste D|Proxel TN|Proxel XL 2|San-aibac AP|Topcide 600|UNII-HRA0F1A4R3|101964-01-6|1094749-54-8|40991-37-5|54392-14-2|552320-00-0|75037-67-1|919284-21-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032523
ARPathway2016 ARPathway2016_132 1,2-Benzisothiazolin-3-one 2634-33-5 DTXSID5032523 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 37.2171294089622 uM O=C1NSC2=C1C=CC=C2 1,2-Benzisothiazolin-3-one 2634-33-5|1,2-Benzisothiazolin-3-one|1,2-bencisotiazol-3(2H)-ona|1,2-benzisothiazol-3-(2H)-ONE|1,2-Benzisothiazol-3-one|1,2-Benzisothiazol-3(2H)-on|1,2-Benzisothiazol-3(2H)-one|1,2-benzisothiazole-3(2H)-one|1,2-Benzisothiazoline-3-one|1,2-Benzisothiazolone|1,2-Benzoisothiazol-3-one|1,2-Benzothiazoline-3-one|2,3-dihydro-3-oxo-1,2-benzisothiazole|3-BENZISOTHIAZOLINON|3-Hydroxy-1,2-benzisothiazole|Apizas AP-DS|BENZISOTHIAZOL(1,2)-3(2H)-ONE|Benzisothiazolinone|Benzisothiazolone|benzo[d]isothiazol-3-one|Benzo[d]isothiazol-3(2H)-one|Benzocil|Bestcide 200K|BIT|Canguard BIT|Caswell No. 079A|Caswell No. 513A|Denicide BIT|Denicide BIT 20N|EINECS 220-120-9|EPA Pesticide Chemical Code 098901|IPX|Nipacide BIT|Nipacide BIT 20|Nuosept 485|Nuosept 491|Nuosept 495|Parmetol B 70|Proxel|Proxel AB|Proxel BD|Proxel BD 20|Proxel BDN|Proxel CF|Proxel GXL|Proxel HL 2|Proxel LV-S|Proxel PL|Proxel Press Paste|Proxel Press Paste D|Proxel TN|Proxel XL 2|San-aibac AP|Topcide 600|UNII-HRA0F1A4R3|101964-01-6|1094749-54-8|40991-37-5|54392-14-2|552320-00-0|75037-67-1|919284-21-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032523
ARPathway2016 ARPathway2016_132 1,2-Benzisothiazolin-3-one 2634-33-5 DTXSID5032523 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.121 Unitless O=C1NSC2=C1C=CC=C2 1,2-Benzisothiazolin-3-one 2634-33-5|1,2-Benzisothiazolin-3-one|1,2-bencisotiazol-3(2H)-ona|1,2-benzisothiazol-3-(2H)-ONE|1,2-Benzisothiazol-3-one|1,2-Benzisothiazol-3(2H)-on|1,2-Benzisothiazol-3(2H)-one|1,2-benzisothiazole-3(2H)-one|1,2-Benzisothiazoline-3-one|1,2-Benzisothiazolone|1,2-Benzoisothiazol-3-one|1,2-Benzothiazoline-3-one|2,3-dihydro-3-oxo-1,2-benzisothiazole|3-BENZISOTHIAZOLINON|3-Hydroxy-1,2-benzisothiazole|Apizas AP-DS|BENZISOTHIAZOL(1,2)-3(2H)-ONE|Benzisothiazolinone|Benzisothiazolone|benzo[d]isothiazol-3-one|Benzo[d]isothiazol-3(2H)-one|Benzocil|Bestcide 200K|BIT|Canguard BIT|Caswell No. 079A|Caswell No. 513A|Denicide BIT|Denicide BIT 20N|EINECS 220-120-9|EPA Pesticide Chemical Code 098901|IPX|Nipacide BIT|Nipacide BIT 20|Nuosept 485|Nuosept 491|Nuosept 495|Parmetol B 70|Proxel|Proxel AB|Proxel BD|Proxel BD 20|Proxel BDN|Proxel CF|Proxel GXL|Proxel HL 2|Proxel LV-S|Proxel PL|Proxel Press Paste|Proxel Press Paste D|Proxel TN|Proxel XL 2|San-aibac AP|Topcide 600|UNII-HRA0F1A4R3|101964-01-6|1094749-54-8|40991-37-5|54392-14-2|552320-00-0|75037-67-1|919284-21-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032523
ARPathway2016 ARPathway2016_132 1,2-Benzisothiazolin-3-one 2634-33-5 DTXSID5032523 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless O=C1NSC2=C1C=CC=C2 1,2-Benzisothiazolin-3-one 2634-33-5|1,2-Benzisothiazolin-3-one|1,2-bencisotiazol-3(2H)-ona|1,2-benzisothiazol-3-(2H)-ONE|1,2-Benzisothiazol-3-one|1,2-Benzisothiazol-3(2H)-on|1,2-Benzisothiazol-3(2H)-one|1,2-benzisothiazole-3(2H)-one|1,2-Benzisothiazoline-3-one|1,2-Benzisothiazolone|1,2-Benzoisothiazol-3-one|1,2-Benzothiazoline-3-one|2,3-dihydro-3-oxo-1,2-benzisothiazole|3-BENZISOTHIAZOLINON|3-Hydroxy-1,2-benzisothiazole|Apizas AP-DS|BENZISOTHIAZOL(1,2)-3(2H)-ONE|Benzisothiazolinone|Benzisothiazolone|benzo[d]isothiazol-3-one|Benzo[d]isothiazol-3(2H)-one|Benzocil|Bestcide 200K|BIT|Canguard BIT|Caswell No. 079A|Caswell No. 513A|Denicide BIT|Denicide BIT 20N|EINECS 220-120-9|EPA Pesticide Chemical Code 098901|IPX|Nipacide BIT|Nipacide BIT 20|Nuosept 485|Nuosept 491|Nuosept 495|Parmetol B 70|Proxel|Proxel AB|Proxel BD|Proxel BD 20|Proxel BDN|Proxel CF|Proxel GXL|Proxel HL 2|Proxel LV-S|Proxel PL|Proxel Press Paste|Proxel Press Paste D|Proxel TN|Proxel XL 2|San-aibac AP|Topcide 600|UNII-HRA0F1A4R3|101964-01-6|1094749-54-8|40991-37-5|54392-14-2|552320-00-0|75037-67-1|919284-21-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032523
ARPathway2016 ARPathway2016_132 1,2-Benzisothiazolin-3-one 2634-33-5 DTXSID5032523 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless O=C1NSC2=C1C=CC=C2 1,2-Benzisothiazolin-3-one 2634-33-5|1,2-Benzisothiazolin-3-one|1,2-bencisotiazol-3(2H)-ona|1,2-benzisothiazol-3-(2H)-ONE|1,2-Benzisothiazol-3-one|1,2-Benzisothiazol-3(2H)-on|1,2-Benzisothiazol-3(2H)-one|1,2-benzisothiazole-3(2H)-one|1,2-Benzisothiazoline-3-one|1,2-Benzisothiazolone|1,2-Benzoisothiazol-3-one|1,2-Benzothiazoline-3-one|2,3-dihydro-3-oxo-1,2-benzisothiazole|3-BENZISOTHIAZOLINON|3-Hydroxy-1,2-benzisothiazole|Apizas AP-DS|BENZISOTHIAZOL(1,2)-3(2H)-ONE|Benzisothiazolinone|Benzisothiazolone|benzo[d]isothiazol-3-one|Benzo[d]isothiazol-3(2H)-one|Benzocil|Bestcide 200K|BIT|Canguard BIT|Caswell No. 079A|Caswell No. 513A|Denicide BIT|Denicide BIT 20N|EINECS 220-120-9|EPA Pesticide Chemical Code 098901|IPX|Nipacide BIT|Nipacide BIT 20|Nuosept 485|Nuosept 491|Nuosept 495|Parmetol B 70|Proxel|Proxel AB|Proxel BD|Proxel BD 20|Proxel BDN|Proxel CF|Proxel GXL|Proxel HL 2|Proxel LV-S|Proxel PL|Proxel Press Paste|Proxel Press Paste D|Proxel TN|Proxel XL 2|San-aibac AP|Topcide 600|UNII-HRA0F1A4R3|101964-01-6|1094749-54-8|40991-37-5|54392-14-2|552320-00-0|75037-67-1|919284-21-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032523
ARPathway2016 ARPathway2016_132 1,2-Benzisothiazolin-3-one 2634-33-5 DTXSID5032523 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless O=C1NSC2=C1C=CC=C2 1,2-Benzisothiazolin-3-one 2634-33-5|1,2-Benzisothiazolin-3-one|1,2-bencisotiazol-3(2H)-ona|1,2-benzisothiazol-3-(2H)-ONE|1,2-Benzisothiazol-3-one|1,2-Benzisothiazol-3(2H)-on|1,2-Benzisothiazol-3(2H)-one|1,2-benzisothiazole-3(2H)-one|1,2-Benzisothiazoline-3-one|1,2-Benzisothiazolone|1,2-Benzoisothiazol-3-one|1,2-Benzothiazoline-3-one|2,3-dihydro-3-oxo-1,2-benzisothiazole|3-BENZISOTHIAZOLINON|3-Hydroxy-1,2-benzisothiazole|Apizas AP-DS|BENZISOTHIAZOL(1,2)-3(2H)-ONE|Benzisothiazolinone|Benzisothiazolone|benzo[d]isothiazol-3-one|Benzo[d]isothiazol-3(2H)-one|Benzocil|Bestcide 200K|BIT|Canguard BIT|Caswell No. 079A|Caswell No. 513A|Denicide BIT|Denicide BIT 20N|EINECS 220-120-9|EPA Pesticide Chemical Code 098901|IPX|Nipacide BIT|Nipacide BIT 20|Nuosept 485|Nuosept 491|Nuosept 495|Parmetol B 70|Proxel|Proxel AB|Proxel BD|Proxel BD 20|Proxel BDN|Proxel CF|Proxel GXL|Proxel HL 2|Proxel LV-S|Proxel PL|Proxel Press Paste|Proxel Press Paste D|Proxel TN|Proxel XL 2|San-aibac AP|Topcide 600|UNII-HRA0F1A4R3|101964-01-6|1094749-54-8|40991-37-5|54392-14-2|552320-00-0|75037-67-1|919284-21-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032523
ERPathway2016 ERPathway2016_1412 1,2-Benzisothiazolin-3-one 2634-33-5 DTXSID5032523 ER Pathway Model, Agonist Model Score 0 Unitless O=C1NSC2=C1C=CC=C2 1,2-Benzisothiazolin-3-one 2634-33-5|1,2-Benzisothiazolin-3-one|1,2-bencisotiazol-3(2H)-ona|1,2-benzisothiazol-3-(2H)-ONE|1,2-Benzisothiazol-3-one|1,2-Benzisothiazol-3(2H)-on|1,2-Benzisothiazol-3(2H)-one|1,2-benzisothiazole-3(2H)-one|1,2-Benzisothiazoline-3-one|1,2-Benzisothiazolone|1,2-Benzoisothiazol-3-one|1,2-Benzothiazoline-3-one|2,3-dihydro-3-oxo-1,2-benzisothiazole|3-BENZISOTHIAZOLINON|3-Hydroxy-1,2-benzisothiazole|Apizas AP-DS|BENZISOTHIAZOL(1,2)-3(2H)-ONE|Benzisothiazolinone|Benzisothiazolone|benzo[d]isothiazol-3-one|Benzo[d]isothiazol-3(2H)-one|Benzocil|Bestcide 200K|BIT|Canguard BIT|Caswell No. 079A|Caswell No. 513A|Denicide BIT|Denicide BIT 20N|EINECS 220-120-9|EPA Pesticide Chemical Code 098901|IPX|Nipacide BIT|Nipacide BIT 20|Nuosept 485|Nuosept 491|Nuosept 495|Parmetol B 70|Proxel|Proxel AB|Proxel BD|Proxel BD 20|Proxel BDN|Proxel CF|Proxel GXL|Proxel HL 2|Proxel LV-S|Proxel PL|Proxel Press Paste|Proxel Press Paste D|Proxel TN|Proxel XL 2|San-aibac AP|Topcide 600|UNII-HRA0F1A4R3|101964-01-6|1094749-54-8|40991-37-5|54392-14-2|552320-00-0|75037-67-1|919284-21-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032523
ERPathway2016 ERPathway2016_1412 1,2-Benzisothiazolin-3-one 2634-33-5 DTXSID5032523 ER Pathway Model, Antagonist Model Score 0 Unitless O=C1NSC2=C1C=CC=C2 1,2-Benzisothiazolin-3-one 2634-33-5|1,2-Benzisothiazolin-3-one|1,2-bencisotiazol-3(2H)-ona|1,2-benzisothiazol-3-(2H)-ONE|1,2-Benzisothiazol-3-one|1,2-Benzisothiazol-3(2H)-on|1,2-Benzisothiazol-3(2H)-one|1,2-benzisothiazole-3(2H)-one|1,2-Benzisothiazoline-3-one|1,2-Benzisothiazolone|1,2-Benzoisothiazol-3-one|1,2-Benzothiazoline-3-one|2,3-dihydro-3-oxo-1,2-benzisothiazole|3-BENZISOTHIAZOLINON|3-Hydroxy-1,2-benzisothiazole|Apizas AP-DS|BENZISOTHIAZOL(1,2)-3(2H)-ONE|Benzisothiazolinone|Benzisothiazolone|benzo[d]isothiazol-3-one|Benzo[d]isothiazol-3(2H)-one|Benzocil|Bestcide 200K|BIT|Canguard BIT|Caswell No. 079A|Caswell No. 513A|Denicide BIT|Denicide BIT 20N|EINECS 220-120-9|EPA Pesticide Chemical Code 098901|IPX|Nipacide BIT|Nipacide BIT 20|Nuosept 485|Nuosept 491|Nuosept 495|Parmetol B 70|Proxel|Proxel AB|Proxel BD|Proxel BD 20|Proxel BDN|Proxel CF|Proxel GXL|Proxel HL 2|Proxel LV-S|Proxel PL|Proxel Press Paste|Proxel Press Paste D|Proxel TN|Proxel XL 2|San-aibac AP|Topcide 600|UNII-HRA0F1A4R3|101964-01-6|1094749-54-8|40991-37-5|54392-14-2|552320-00-0|75037-67-1|919284-21-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032523
ERPathway2016 ERPathway2016_1412 1,2-Benzisothiazolin-3-one 2634-33-5 DTXSID5032523 ER Pathway Model, Agonist Call Inactive Unitless O=C1NSC2=C1C=CC=C2 1,2-Benzisothiazolin-3-one 2634-33-5|1,2-Benzisothiazolin-3-one|1,2-bencisotiazol-3(2H)-ona|1,2-benzisothiazol-3-(2H)-ONE|1,2-Benzisothiazol-3-one|1,2-Benzisothiazol-3(2H)-on|1,2-Benzisothiazol-3(2H)-one|1,2-benzisothiazole-3(2H)-one|1,2-Benzisothiazoline-3-one|1,2-Benzisothiazolone|1,2-Benzoisothiazol-3-one|1,2-Benzothiazoline-3-one|2,3-dihydro-3-oxo-1,2-benzisothiazole|3-BENZISOTHIAZOLINON|3-Hydroxy-1,2-benzisothiazole|Apizas AP-DS|BENZISOTHIAZOL(1,2)-3(2H)-ONE|Benzisothiazolinone|Benzisothiazolone|benzo[d]isothiazol-3-one|Benzo[d]isothiazol-3(2H)-one|Benzocil|Bestcide 200K|BIT|Canguard BIT|Caswell No. 079A|Caswell No. 513A|Denicide BIT|Denicide BIT 20N|EINECS 220-120-9|EPA Pesticide Chemical Code 098901|IPX|Nipacide BIT|Nipacide BIT 20|Nuosept 485|Nuosept 491|Nuosept 495|Parmetol B 70|Proxel|Proxel AB|Proxel BD|Proxel BD 20|Proxel BDN|Proxel CF|Proxel GXL|Proxel HL 2|Proxel LV-S|Proxel PL|Proxel Press Paste|Proxel Press Paste D|Proxel TN|Proxel XL 2|San-aibac AP|Topcide 600|UNII-HRA0F1A4R3|101964-01-6|1094749-54-8|40991-37-5|54392-14-2|552320-00-0|75037-67-1|919284-21-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032523
ERPathway2016 ERPathway2016_1412 1,2-Benzisothiazolin-3-one 2634-33-5 DTXSID5032523 ER Pathway Model, Antagonist Call Inactive Unitless O=C1NSC2=C1C=CC=C2 1,2-Benzisothiazolin-3-one 2634-33-5|1,2-Benzisothiazolin-3-one|1,2-bencisotiazol-3(2H)-ona|1,2-benzisothiazol-3-(2H)-ONE|1,2-Benzisothiazol-3-one|1,2-Benzisothiazol-3(2H)-on|1,2-Benzisothiazol-3(2H)-one|1,2-benzisothiazole-3(2H)-one|1,2-Benzisothiazoline-3-one|1,2-Benzisothiazolone|1,2-Benzoisothiazol-3-one|1,2-Benzothiazoline-3-one|2,3-dihydro-3-oxo-1,2-benzisothiazole|3-BENZISOTHIAZOLINON|3-Hydroxy-1,2-benzisothiazole|Apizas AP-DS|BENZISOTHIAZOL(1,2)-3(2H)-ONE|Benzisothiazolinone|Benzisothiazolone|benzo[d]isothiazol-3-one|Benzo[d]isothiazol-3(2H)-one|Benzocil|Bestcide 200K|BIT|Canguard BIT|Caswell No. 079A|Caswell No. 513A|Denicide BIT|Denicide BIT 20N|EINECS 220-120-9|EPA Pesticide Chemical Code 098901|IPX|Nipacide BIT|Nipacide BIT 20|Nuosept 485|Nuosept 491|Nuosept 495|Parmetol B 70|Proxel|Proxel AB|Proxel BD|Proxel BD 20|Proxel BDN|Proxel CF|Proxel GXL|Proxel HL 2|Proxel LV-S|Proxel PL|Proxel Press Paste|Proxel Press Paste D|Proxel TN|Proxel XL 2|San-aibac AP|Topcide 600|UNII-HRA0F1A4R3|101964-01-6|1094749-54-8|40991-37-5|54392-14-2|552320-00-0|75037-67-1|919284-21-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032523
ARPathway2016 ARPathway2016_163 1,2-Dibromo-2,4-dicyanobutane 35691-65-7 DTXSID3024944 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 35.9312413523209 uM BrCC(Br)(CCC#N)C#N 1,2-Dibromo-2,4-dicyanobutane 35691-65-7|1,2-Dibromo-2,4-dicyanobutane|1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile|1,2-DIBROM-2,4-DICYANO-BUTAN|1,2-DIBROMO 2,4-DICYANO BUTANE|2-Brom-2-(brommethyl)pentandinitril|2-Bromo-2-(bromomethyl)glutaronitrile|2-Bromo-2-(bromomethyl)pentanedinitrile|2-bromo-2-(bromometil)pentanodinitrilo|2-Bromo-2-bromomethylglutaronitrile|2-METHYLDIBROMO GLUTARONITRILE|Bromothalonil|Caswell No. 114G|EINECS 252-681-0|EPA Pesticide Chemical Code 111001|MDBGN|Merguard 1105|Metacide 38|Methyldibromo glutaronitrile|Methyldibromoglutaronitrile|PENTANDINITRILE, 2-BROMO-2-(BROMOMETHYL)|Pentanedinitrile, 2-bromo-2-(bromomethyl)-|Tektamer|Tektamer 38|Tektamer 38AD|Tuopai DM 01|UNII-YX089CPS05 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024944 https://doi.org/10.22427/NTP-DATA-DTXSID3024944
ARPathway2016 ARPathway2016_163 1,2-Dibromo-2,4-dicyanobutane 35691-65-7 DTXSID3024944 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 33.7894940489952 uM BrCC(Br)(CCC#N)C#N 1,2-Dibromo-2,4-dicyanobutane 35691-65-7|1,2-Dibromo-2,4-dicyanobutane|1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile|1,2-DIBROM-2,4-DICYANO-BUTAN|1,2-DIBROMO 2,4-DICYANO BUTANE|2-Brom-2-(brommethyl)pentandinitril|2-Bromo-2-(bromomethyl)glutaronitrile|2-Bromo-2-(bromomethyl)pentanedinitrile|2-bromo-2-(bromometil)pentanodinitrilo|2-Bromo-2-bromomethylglutaronitrile|2-METHYLDIBROMO GLUTARONITRILE|Bromothalonil|Caswell No. 114G|EINECS 252-681-0|EPA Pesticide Chemical Code 111001|MDBGN|Merguard 1105|Metacide 38|Methyldibromo glutaronitrile|Methyldibromoglutaronitrile|PENTANDINITRILE, 2-BROMO-2-(BROMOMETHYL)|Pentanedinitrile, 2-bromo-2-(bromomethyl)-|Tektamer|Tektamer 38|Tektamer 38AD|Tuopai DM 01|UNII-YX089CPS05 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024944 https://doi.org/10.22427/NTP-DATA-DTXSID3024944
ARPathway2016 ARPathway2016_163 1,2-Dibromo-2,4-dicyanobutane 35691-65-7 DTXSID3024944 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.153 Unitless BrCC(Br)(CCC#N)C#N 1,2-Dibromo-2,4-dicyanobutane 35691-65-7|1,2-Dibromo-2,4-dicyanobutane|1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile|1,2-DIBROM-2,4-DICYANO-BUTAN|1,2-DIBROMO 2,4-DICYANO BUTANE|2-Brom-2-(brommethyl)pentandinitril|2-Bromo-2-(bromomethyl)glutaronitrile|2-Bromo-2-(bromomethyl)pentanedinitrile|2-bromo-2-(bromometil)pentanodinitrilo|2-Bromo-2-bromomethylglutaronitrile|2-METHYLDIBROMO GLUTARONITRILE|Bromothalonil|Caswell No. 114G|EINECS 252-681-0|EPA Pesticide Chemical Code 111001|MDBGN|Merguard 1105|Metacide 38|Methyldibromo glutaronitrile|Methyldibromoglutaronitrile|PENTANDINITRILE, 2-BROMO-2-(BROMOMETHYL)|Pentanedinitrile, 2-bromo-2-(bromomethyl)-|Tektamer|Tektamer 38|Tektamer 38AD|Tuopai DM 01|UNII-YX089CPS05 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024944 https://doi.org/10.22427/NTP-DATA-DTXSID3024944
ARPathway2016 ARPathway2016_163 1,2-Dibromo-2,4-dicyanobutane 35691-65-7 DTXSID3024944 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0.00305 Unitless BrCC(Br)(CCC#N)C#N 1,2-Dibromo-2,4-dicyanobutane 35691-65-7|1,2-Dibromo-2,4-dicyanobutane|1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile|1,2-DIBROM-2,4-DICYANO-BUTAN|1,2-DIBROMO 2,4-DICYANO BUTANE|2-Brom-2-(brommethyl)pentandinitril|2-Bromo-2-(bromomethyl)glutaronitrile|2-Bromo-2-(bromomethyl)pentanedinitrile|2-bromo-2-(bromometil)pentanodinitrilo|2-Bromo-2-bromomethylglutaronitrile|2-METHYLDIBROMO GLUTARONITRILE|Bromothalonil|Caswell No. 114G|EINECS 252-681-0|EPA Pesticide Chemical Code 111001|MDBGN|Merguard 1105|Metacide 38|Methyldibromo glutaronitrile|Methyldibromoglutaronitrile|PENTANDINITRILE, 2-BROMO-2-(BROMOMETHYL)|Pentanedinitrile, 2-bromo-2-(bromomethyl)-|Tektamer|Tektamer 38|Tektamer 38AD|Tuopai DM 01|UNII-YX089CPS05 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024944 https://doi.org/10.22427/NTP-DATA-DTXSID3024944
ARPathway2016 ARPathway2016_163 1,2-Dibromo-2,4-dicyanobutane 35691-65-7 DTXSID3024944 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless BrCC(Br)(CCC#N)C#N 1,2-Dibromo-2,4-dicyanobutane 35691-65-7|1,2-Dibromo-2,4-dicyanobutane|1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile|1,2-DIBROM-2,4-DICYANO-BUTAN|1,2-DIBROMO 2,4-DICYANO BUTANE|2-Brom-2-(brommethyl)pentandinitril|2-Bromo-2-(bromomethyl)glutaronitrile|2-Bromo-2-(bromomethyl)pentanedinitrile|2-bromo-2-(bromometil)pentanodinitrilo|2-Bromo-2-bromomethylglutaronitrile|2-METHYLDIBROMO GLUTARONITRILE|Bromothalonil|Caswell No. 114G|EINECS 252-681-0|EPA Pesticide Chemical Code 111001|MDBGN|Merguard 1105|Metacide 38|Methyldibromo glutaronitrile|Methyldibromoglutaronitrile|PENTANDINITRILE, 2-BROMO-2-(BROMOMETHYL)|Pentanedinitrile, 2-bromo-2-(bromomethyl)-|Tektamer|Tektamer 38|Tektamer 38AD|Tuopai DM 01|UNII-YX089CPS05 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024944 https://doi.org/10.22427/NTP-DATA-DTXSID3024944
ARPathway2016 ARPathway2016_163 1,2-Dibromo-2,4-dicyanobutane 35691-65-7 DTXSID3024944 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless BrCC(Br)(CCC#N)C#N 1,2-Dibromo-2,4-dicyanobutane 35691-65-7|1,2-Dibromo-2,4-dicyanobutane|1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile|1,2-DIBROM-2,4-DICYANO-BUTAN|1,2-DIBROMO 2,4-DICYANO BUTANE|2-Brom-2-(brommethyl)pentandinitril|2-Bromo-2-(bromomethyl)glutaronitrile|2-Bromo-2-(bromomethyl)pentanedinitrile|2-bromo-2-(bromometil)pentanodinitrilo|2-Bromo-2-bromomethylglutaronitrile|2-METHYLDIBROMO GLUTARONITRILE|Bromothalonil|Caswell No. 114G|EINECS 252-681-0|EPA Pesticide Chemical Code 111001|MDBGN|Merguard 1105|Metacide 38|Methyldibromo glutaronitrile|Methyldibromoglutaronitrile|PENTANDINITRILE, 2-BROMO-2-(BROMOMETHYL)|Pentanedinitrile, 2-bromo-2-(bromomethyl)-|Tektamer|Tektamer 38|Tektamer 38AD|Tuopai DM 01|UNII-YX089CPS05 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024944 https://doi.org/10.22427/NTP-DATA-DTXSID3024944
ERPathway2016 ERPathway2016_702 1,2-Dibromo-2,4-dicyanobutane 35691-65-7 DTXSID3024944 ER Pathway Model, Agonist Model Score 0 Unitless BrCC(Br)(CCC#N)C#N 1,2-Dibromo-2,4-dicyanobutane 35691-65-7|1,2-Dibromo-2,4-dicyanobutane|1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile|1,2-DIBROM-2,4-DICYANO-BUTAN|1,2-DIBROMO 2,4-DICYANO BUTANE|2-Brom-2-(brommethyl)pentandinitril|2-Bromo-2-(bromomethyl)glutaronitrile|2-Bromo-2-(bromomethyl)pentanedinitrile|2-bromo-2-(bromometil)pentanodinitrilo|2-Bromo-2-bromomethylglutaronitrile|2-METHYLDIBROMO GLUTARONITRILE|Bromothalonil|Caswell No. 114G|EINECS 252-681-0|EPA Pesticide Chemical Code 111001|MDBGN|Merguard 1105|Metacide 38|Methyldibromo glutaronitrile|Methyldibromoglutaronitrile|PENTANDINITRILE, 2-BROMO-2-(BROMOMETHYL)|Pentanedinitrile, 2-bromo-2-(bromomethyl)-|Tektamer|Tektamer 38|Tektamer 38AD|Tuopai DM 01|UNII-YX089CPS05 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024944 https://doi.org/10.22427/NTP-DATA-DTXSID3024944
ERPathway2016 ERPathway2016_702 1,2-Dibromo-2,4-dicyanobutane 35691-65-7 DTXSID3024944 ER Pathway Model, Antagonist Model Score 0 Unitless BrCC(Br)(CCC#N)C#N 1,2-Dibromo-2,4-dicyanobutane 35691-65-7|1,2-Dibromo-2,4-dicyanobutane|1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile|1,2-DIBROM-2,4-DICYANO-BUTAN|1,2-DIBROMO 2,4-DICYANO BUTANE|2-Brom-2-(brommethyl)pentandinitril|2-Bromo-2-(bromomethyl)glutaronitrile|2-Bromo-2-(bromomethyl)pentanedinitrile|2-bromo-2-(bromometil)pentanodinitrilo|2-Bromo-2-bromomethylglutaronitrile|2-METHYLDIBROMO GLUTARONITRILE|Bromothalonil|Caswell No. 114G|EINECS 252-681-0|EPA Pesticide Chemical Code 111001|MDBGN|Merguard 1105|Metacide 38|Methyldibromo glutaronitrile|Methyldibromoglutaronitrile|PENTANDINITRILE, 2-BROMO-2-(BROMOMETHYL)|Pentanedinitrile, 2-bromo-2-(bromomethyl)-|Tektamer|Tektamer 38|Tektamer 38AD|Tuopai DM 01|UNII-YX089CPS05 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024944 https://doi.org/10.22427/NTP-DATA-DTXSID3024944
ERPathway2016 ERPathway2016_702 1,2-Dibromo-2,4-dicyanobutane 35691-65-7 DTXSID3024944 ER Pathway Model, Agonist Call Inactive Unitless BrCC(Br)(CCC#N)C#N 1,2-Dibromo-2,4-dicyanobutane 35691-65-7|1,2-Dibromo-2,4-dicyanobutane|1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile|1,2-DIBROM-2,4-DICYANO-BUTAN|1,2-DIBROMO 2,4-DICYANO BUTANE|2-Brom-2-(brommethyl)pentandinitril|2-Bromo-2-(bromomethyl)glutaronitrile|2-Bromo-2-(bromomethyl)pentanedinitrile|2-bromo-2-(bromometil)pentanodinitrilo|2-Bromo-2-bromomethylglutaronitrile|2-METHYLDIBROMO GLUTARONITRILE|Bromothalonil|Caswell No. 114G|EINECS 252-681-0|EPA Pesticide Chemical Code 111001|MDBGN|Merguard 1105|Metacide 38|Methyldibromo glutaronitrile|Methyldibromoglutaronitrile|PENTANDINITRILE, 2-BROMO-2-(BROMOMETHYL)|Pentanedinitrile, 2-bromo-2-(bromomethyl)-|Tektamer|Tektamer 38|Tektamer 38AD|Tuopai DM 01|UNII-YX089CPS05 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024944 https://doi.org/10.22427/NTP-DATA-DTXSID3024944
ERPathway2016 ERPathway2016_702 1,2-Dibromo-2,4-dicyanobutane 35691-65-7 DTXSID3024944 ER Pathway Model, Antagonist Call Inactive Unitless BrCC(Br)(CCC#N)C#N 1,2-Dibromo-2,4-dicyanobutane 35691-65-7|1,2-Dibromo-2,4-dicyanobutane|1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile|1,2-DIBROM-2,4-DICYANO-BUTAN|1,2-DIBROMO 2,4-DICYANO BUTANE|2-Brom-2-(brommethyl)pentandinitril|2-Bromo-2-(bromomethyl)glutaronitrile|2-Bromo-2-(bromomethyl)pentanedinitrile|2-bromo-2-(bromometil)pentanodinitrilo|2-Bromo-2-bromomethylglutaronitrile|2-METHYLDIBROMO GLUTARONITRILE|Bromothalonil|Caswell No. 114G|EINECS 252-681-0|EPA Pesticide Chemical Code 111001|MDBGN|Merguard 1105|Metacide 38|Methyldibromo glutaronitrile|Methyldibromoglutaronitrile|PENTANDINITRILE, 2-BROMO-2-(BROMOMETHYL)|Pentanedinitrile, 2-bromo-2-(bromomethyl)-|Tektamer|Tektamer 38|Tektamer 38AD|Tuopai DM 01|UNII-YX089CPS05 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024944 https://doi.org/10.22427/NTP-DATA-DTXSID3024944
ARPathway2016 ARPathway2016_485 1,2-Dibromoethane 106-93-4 DTXSID3020415 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless BrCCBr 1,2-Dibromoethane 106-93-4|1,2-Dibromoethane|1,2-DIBROMAETHAN|1,2-Dibromethan|1,2-dibromoetano|1,2-Dibroomethaan|1,2-Ethylene dibromide|4-01-00-00158|Aadibroom|Aethylenbromid|alpha,beta-dibromoethane|alpha,omega-dibromoethane|BRN 0605266|Bromofume|Bromuro di etile|Caswell No. 439|Celmide|Dayfum W-85|DBE|Dibromure d'ethylene|Dowfume EDB|Dowfume W 8|Dowfume W 85|Dowfume W-100|Dowfume W-8|Dowfume W-85|Dowfume W-90|Dwubromoetan|E-D-Bee|Edabrom|EDB|EINECS 203-444-5|EPA Pesticide Chemical Code 042002|Ethane, 1,2-dibromo-|Ethylene bromide|Ethylene dibromide|Fumo-gas|Glycol dibromide|Iscobrome D|Kopfume|NCI-C00522|Pestmaster edb-85|RCRA waste number U067|Sanhyuum|Soilbrom|Soilbrom-100|Soilbrom-40|Soilbrom-85|Soilbrom-90|Soilbrom-90EC|Soilfume|sym-Dibromoethane|UN 1605|Unifume|UNII-1N41638RNO|a,b-Dibromoethane|a,o-Dibromoethane|56729-21-6|625084-37-9|8003-07-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020415 https://doi.org/10.22427/NTP-DATA-DTXSID3020415
ARPathway2016 ARPathway2016_485 1,2-Dibromoethane 106-93-4 DTXSID3020415 0.0 AR Pathway Model, Agonist Model Score 0 Unitless BrCCBr 1,2-Dibromoethane 106-93-4|1,2-Dibromoethane|1,2-DIBROMAETHAN|1,2-Dibromethan|1,2-dibromoetano|1,2-Dibroomethaan|1,2-Ethylene dibromide|4-01-00-00158|Aadibroom|Aethylenbromid|alpha,beta-dibromoethane|alpha,omega-dibromoethane|BRN 0605266|Bromofume|Bromuro di etile|Caswell No. 439|Celmide|Dayfum W-85|DBE|Dibromure d'ethylene|Dowfume EDB|Dowfume W 8|Dowfume W 85|Dowfume W-100|Dowfume W-8|Dowfume W-85|Dowfume W-90|Dwubromoetan|E-D-Bee|Edabrom|EDB|EINECS 203-444-5|EPA Pesticide Chemical Code 042002|Ethane, 1,2-dibromo-|Ethylene bromide|Ethylene dibromide|Fumo-gas|Glycol dibromide|Iscobrome D|Kopfume|NCI-C00522|Pestmaster edb-85|RCRA waste number U067|Sanhyuum|Soilbrom|Soilbrom-100|Soilbrom-40|Soilbrom-85|Soilbrom-90|Soilbrom-90EC|Soilfume|sym-Dibromoethane|UN 1605|Unifume|UNII-1N41638RNO|a,b-Dibromoethane|a,o-Dibromoethane|56729-21-6|625084-37-9|8003-07-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020415 https://doi.org/10.22427/NTP-DATA-DTXSID3020415
ARPathway2016 ARPathway2016_485 1,2-Dibromoethane 106-93-4 DTXSID3020415 0.0 AR Pathway Model, Agonist Call Inactive Unitless BrCCBr 1,2-Dibromoethane 106-93-4|1,2-Dibromoethane|1,2-DIBROMAETHAN|1,2-Dibromethan|1,2-dibromoetano|1,2-Dibroomethaan|1,2-Ethylene dibromide|4-01-00-00158|Aadibroom|Aethylenbromid|alpha,beta-dibromoethane|alpha,omega-dibromoethane|BRN 0605266|Bromofume|Bromuro di etile|Caswell No. 439|Celmide|Dayfum W-85|DBE|Dibromure d'ethylene|Dowfume EDB|Dowfume W 8|Dowfume W 85|Dowfume W-100|Dowfume W-8|Dowfume W-85|Dowfume W-90|Dwubromoetan|E-D-Bee|Edabrom|EDB|EINECS 203-444-5|EPA Pesticide Chemical Code 042002|Ethane, 1,2-dibromo-|Ethylene bromide|Ethylene dibromide|Fumo-gas|Glycol dibromide|Iscobrome D|Kopfume|NCI-C00522|Pestmaster edb-85|RCRA waste number U067|Sanhyuum|Soilbrom|Soilbrom-100|Soilbrom-40|Soilbrom-85|Soilbrom-90|Soilbrom-90EC|Soilfume|sym-Dibromoethane|UN 1605|Unifume|UNII-1N41638RNO|a,b-Dibromoethane|a,o-Dibromoethane|56729-21-6|625084-37-9|8003-07-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020415 https://doi.org/10.22427/NTP-DATA-DTXSID3020415
ARPathway2016 ARPathway2016_485 1,2-Dibromoethane 106-93-4 DTXSID3020415 0.0 AR Pathway Model, Antagonist Call Inactive Unitless BrCCBr 1,2-Dibromoethane 106-93-4|1,2-Dibromoethane|1,2-DIBROMAETHAN|1,2-Dibromethan|1,2-dibromoetano|1,2-Dibroomethaan|1,2-Ethylene dibromide|4-01-00-00158|Aadibroom|Aethylenbromid|alpha,beta-dibromoethane|alpha,omega-dibromoethane|BRN 0605266|Bromofume|Bromuro di etile|Caswell No. 439|Celmide|Dayfum W-85|DBE|Dibromure d'ethylene|Dowfume EDB|Dowfume W 8|Dowfume W 85|Dowfume W-100|Dowfume W-8|Dowfume W-85|Dowfume W-90|Dwubromoetan|E-D-Bee|Edabrom|EDB|EINECS 203-444-5|EPA Pesticide Chemical Code 042002|Ethane, 1,2-dibromo-|Ethylene bromide|Ethylene dibromide|Fumo-gas|Glycol dibromide|Iscobrome D|Kopfume|NCI-C00522|Pestmaster edb-85|RCRA waste number U067|Sanhyuum|Soilbrom|Soilbrom-100|Soilbrom-40|Soilbrom-85|Soilbrom-90|Soilbrom-90EC|Soilfume|sym-Dibromoethane|UN 1605|Unifume|UNII-1N41638RNO|a,b-Dibromoethane|a,o-Dibromoethane|56729-21-6|625084-37-9|8003-07-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020415 https://doi.org/10.22427/NTP-DATA-DTXSID3020415
ERPathway2016 ERPathway2016_521 1,2-Dibromoethane 106-93-4 DTXSID3020415 ER Pathway Model, Agonist Model Score 0 Unitless BrCCBr 1,2-Dibromoethane 106-93-4|1,2-Dibromoethane|1,2-DIBROMAETHAN|1,2-Dibromethan|1,2-dibromoetano|1,2-Dibroomethaan|1,2-Ethylene dibromide|4-01-00-00158|Aadibroom|Aethylenbromid|alpha,beta-dibromoethane|alpha,omega-dibromoethane|BRN 0605266|Bromofume|Bromuro di etile|Caswell No. 439|Celmide|Dayfum W-85|DBE|Dibromure d'ethylene|Dowfume EDB|Dowfume W 8|Dowfume W 85|Dowfume W-100|Dowfume W-8|Dowfume W-85|Dowfume W-90|Dwubromoetan|E-D-Bee|Edabrom|EDB|EINECS 203-444-5|EPA Pesticide Chemical Code 042002|Ethane, 1,2-dibromo-|Ethylene bromide|Ethylene dibromide|Fumo-gas|Glycol dibromide|Iscobrome D|Kopfume|NCI-C00522|Pestmaster edb-85|RCRA waste number U067|Sanhyuum|Soilbrom|Soilbrom-100|Soilbrom-40|Soilbrom-85|Soilbrom-90|Soilbrom-90EC|Soilfume|sym-Dibromoethane|UN 1605|Unifume|UNII-1N41638RNO|a,b-Dibromoethane|a,o-Dibromoethane|56729-21-6|625084-37-9|8003-07-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020415 https://doi.org/10.22427/NTP-DATA-DTXSID3020415
ERPathway2016 ERPathway2016_521 1,2-Dibromoethane 106-93-4 DTXSID3020415 ER Pathway Model, Antagonist Model Score 0 Unitless BrCCBr 1,2-Dibromoethane 106-93-4|1,2-Dibromoethane|1,2-DIBROMAETHAN|1,2-Dibromethan|1,2-dibromoetano|1,2-Dibroomethaan|1,2-Ethylene dibromide|4-01-00-00158|Aadibroom|Aethylenbromid|alpha,beta-dibromoethane|alpha,omega-dibromoethane|BRN 0605266|Bromofume|Bromuro di etile|Caswell No. 439|Celmide|Dayfum W-85|DBE|Dibromure d'ethylene|Dowfume EDB|Dowfume W 8|Dowfume W 85|Dowfume W-100|Dowfume W-8|Dowfume W-85|Dowfume W-90|Dwubromoetan|E-D-Bee|Edabrom|EDB|EINECS 203-444-5|EPA Pesticide Chemical Code 042002|Ethane, 1,2-dibromo-|Ethylene bromide|Ethylene dibromide|Fumo-gas|Glycol dibromide|Iscobrome D|Kopfume|NCI-C00522|Pestmaster edb-85|RCRA waste number U067|Sanhyuum|Soilbrom|Soilbrom-100|Soilbrom-40|Soilbrom-85|Soilbrom-90|Soilbrom-90EC|Soilfume|sym-Dibromoethane|UN 1605|Unifume|UNII-1N41638RNO|a,b-Dibromoethane|a,o-Dibromoethane|56729-21-6|625084-37-9|8003-07-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020415 https://doi.org/10.22427/NTP-DATA-DTXSID3020415
ERPathway2016 ERPathway2016_521 1,2-Dibromoethane 106-93-4 DTXSID3020415 ER Pathway Model, Agonist Call Inactive Unitless BrCCBr 1,2-Dibromoethane 106-93-4|1,2-Dibromoethane|1,2-DIBROMAETHAN|1,2-Dibromethan|1,2-dibromoetano|1,2-Dibroomethaan|1,2-Ethylene dibromide|4-01-00-00158|Aadibroom|Aethylenbromid|alpha,beta-dibromoethane|alpha,omega-dibromoethane|BRN 0605266|Bromofume|Bromuro di etile|Caswell No. 439|Celmide|Dayfum W-85|DBE|Dibromure d'ethylene|Dowfume EDB|Dowfume W 8|Dowfume W 85|Dowfume W-100|Dowfume W-8|Dowfume W-85|Dowfume W-90|Dwubromoetan|E-D-Bee|Edabrom|EDB|EINECS 203-444-5|EPA Pesticide Chemical Code 042002|Ethane, 1,2-dibromo-|Ethylene bromide|Ethylene dibromide|Fumo-gas|Glycol dibromide|Iscobrome D|Kopfume|NCI-C00522|Pestmaster edb-85|RCRA waste number U067|Sanhyuum|Soilbrom|Soilbrom-100|Soilbrom-40|Soilbrom-85|Soilbrom-90|Soilbrom-90EC|Soilfume|sym-Dibromoethane|UN 1605|Unifume|UNII-1N41638RNO|a,b-Dibromoethane|a,o-Dibromoethane|56729-21-6|625084-37-9|8003-07-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020415 https://doi.org/10.22427/NTP-DATA-DTXSID3020415
ERPathway2016 ERPathway2016_521 1,2-Dibromoethane 106-93-4 DTXSID3020415 ER Pathway Model, Antagonist Call Inactive Unitless BrCCBr 1,2-Dibromoethane 106-93-4|1,2-Dibromoethane|1,2-DIBROMAETHAN|1,2-Dibromethan|1,2-dibromoetano|1,2-Dibroomethaan|1,2-Ethylene dibromide|4-01-00-00158|Aadibroom|Aethylenbromid|alpha,beta-dibromoethane|alpha,omega-dibromoethane|BRN 0605266|Bromofume|Bromuro di etile|Caswell No. 439|Celmide|Dayfum W-85|DBE|Dibromure d'ethylene|Dowfume EDB|Dowfume W 8|Dowfume W 85|Dowfume W-100|Dowfume W-8|Dowfume W-85|Dowfume W-90|Dwubromoetan|E-D-Bee|Edabrom|EDB|EINECS 203-444-5|EPA Pesticide Chemical Code 042002|Ethane, 1,2-dibromo-|Ethylene bromide|Ethylene dibromide|Fumo-gas|Glycol dibromide|Iscobrome D|Kopfume|NCI-C00522|Pestmaster edb-85|RCRA waste number U067|Sanhyuum|Soilbrom|Soilbrom-100|Soilbrom-40|Soilbrom-85|Soilbrom-90|Soilbrom-90EC|Soilfume|sym-Dibromoethane|UN 1605|Unifume|UNII-1N41638RNO|a,b-Dibromoethane|a,o-Dibromoethane|56729-21-6|625084-37-9|8003-07-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020415 https://doi.org/10.22427/NTP-DATA-DTXSID3020415
ARPathway2016 ARPathway2016_1142 1,2-Dichloro-4-(trifluoromethyl)benzene 328-84-7 DTXSID5027142 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless FC(F)(F)C1=CC=C(Cl)C(Cl)=C1 1,2-Dichloro-4-(trifluoromethyl)benzene 328-84-7|1,2-Dichloro-4-(trifluoromethyl)benzene|(3,4-Dichlorophenyl)trifluoromethane|1-(Trifluoromethyl)-3,4-dichlorobenzene|3,4-Dichloro-1-(trifluoromethyl)benzene|3,4-dichloro-alpha,alpha,alpha-trifluorotoluene|3,4-Dichloro-a,a,a-trifluorotoluene|3,4-Dichloro(trifluoromethyl)benzene|3,4-Dichlorobenzotrifluoride|3,4-Dichlorophenyltrifluoromethane|4-(Trifluoromethyl)-1,2-dichlorobenzene|Benzene, 1,2-dichloro-4-(trifluoromethyl)-|EINECS 206-337-1|Oxsol 1000|Toluene, 3,4-dichloro-alpha,alpha,alpha-trifluoro-|UN 1993|UNII-7G60XCU4GG https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027142
ARPathway2016 ARPathway2016_1142 1,2-Dichloro-4-(trifluoromethyl)benzene 328-84-7 DTXSID5027142 0.0 AR Pathway Model, Agonist Model Score 0 Unitless FC(F)(F)C1=CC=C(Cl)C(Cl)=C1 1,2-Dichloro-4-(trifluoromethyl)benzene 328-84-7|1,2-Dichloro-4-(trifluoromethyl)benzene|(3,4-Dichlorophenyl)trifluoromethane|1-(Trifluoromethyl)-3,4-dichlorobenzene|3,4-Dichloro-1-(trifluoromethyl)benzene|3,4-dichloro-alpha,alpha,alpha-trifluorotoluene|3,4-Dichloro-a,a,a-trifluorotoluene|3,4-Dichloro(trifluoromethyl)benzene|3,4-Dichlorobenzotrifluoride|3,4-Dichlorophenyltrifluoromethane|4-(Trifluoromethyl)-1,2-dichlorobenzene|Benzene, 1,2-dichloro-4-(trifluoromethyl)-|EINECS 206-337-1|Oxsol 1000|Toluene, 3,4-dichloro-alpha,alpha,alpha-trifluoro-|UN 1993|UNII-7G60XCU4GG https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027142
ARPathway2016 ARPathway2016_1142 1,2-Dichloro-4-(trifluoromethyl)benzene 328-84-7 DTXSID5027142 0.0 AR Pathway Model, Agonist Call Inactive Unitless FC(F)(F)C1=CC=C(Cl)C(Cl)=C1 1,2-Dichloro-4-(trifluoromethyl)benzene 328-84-7|1,2-Dichloro-4-(trifluoromethyl)benzene|(3,4-Dichlorophenyl)trifluoromethane|1-(Trifluoromethyl)-3,4-dichlorobenzene|3,4-Dichloro-1-(trifluoromethyl)benzene|3,4-dichloro-alpha,alpha,alpha-trifluorotoluene|3,4-Dichloro-a,a,a-trifluorotoluene|3,4-Dichloro(trifluoromethyl)benzene|3,4-Dichlorobenzotrifluoride|3,4-Dichlorophenyltrifluoromethane|4-(Trifluoromethyl)-1,2-dichlorobenzene|Benzene, 1,2-dichloro-4-(trifluoromethyl)-|EINECS 206-337-1|Oxsol 1000|Toluene, 3,4-dichloro-alpha,alpha,alpha-trifluoro-|UN 1993|UNII-7G60XCU4GG https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027142
ARPathway2016 ARPathway2016_1142 1,2-Dichloro-4-(trifluoromethyl)benzene 328-84-7 DTXSID5027142 0.0 AR Pathway Model, Antagonist Call Inactive Unitless FC(F)(F)C1=CC=C(Cl)C(Cl)=C1 1,2-Dichloro-4-(trifluoromethyl)benzene 328-84-7|1,2-Dichloro-4-(trifluoromethyl)benzene|(3,4-Dichlorophenyl)trifluoromethane|1-(Trifluoromethyl)-3,4-dichlorobenzene|3,4-Dichloro-1-(trifluoromethyl)benzene|3,4-dichloro-alpha,alpha,alpha-trifluorotoluene|3,4-Dichloro-a,a,a-trifluorotoluene|3,4-Dichloro(trifluoromethyl)benzene|3,4-Dichlorobenzotrifluoride|3,4-Dichlorophenyltrifluoromethane|4-(Trifluoromethyl)-1,2-dichlorobenzene|Benzene, 1,2-dichloro-4-(trifluoromethyl)-|EINECS 206-337-1|Oxsol 1000|Toluene, 3,4-dichloro-alpha,alpha,alpha-trifluoro-|UN 1993|UNII-7G60XCU4GG https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027142
ERPathway2016 ERPathway2016_779 1,2-Dichloro-4-(trifluoromethyl)benzene 328-84-7 DTXSID5027142 A5 ER Pathway Model, Agonist Model Score 0 Unitless FC(F)(F)C1=CC=C(Cl)C(Cl)=C1 1,2-Dichloro-4-(trifluoromethyl)benzene 328-84-7|1,2-Dichloro-4-(trifluoromethyl)benzene|(3,4-Dichlorophenyl)trifluoromethane|1-(Trifluoromethyl)-3,4-dichlorobenzene|3,4-Dichloro-1-(trifluoromethyl)benzene|3,4-dichloro-alpha,alpha,alpha-trifluorotoluene|3,4-Dichloro-a,a,a-trifluorotoluene|3,4-Dichloro(trifluoromethyl)benzene|3,4-Dichlorobenzotrifluoride|3,4-Dichlorophenyltrifluoromethane|4-(Trifluoromethyl)-1,2-dichlorobenzene|Benzene, 1,2-dichloro-4-(trifluoromethyl)-|EINECS 206-337-1|Oxsol 1000|Toluene, 3,4-dichloro-alpha,alpha,alpha-trifluoro-|UN 1993|UNII-7G60XCU4GG https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027142
ERPathway2016 ERPathway2016_779 1,2-Dichloro-4-(trifluoromethyl)benzene 328-84-7 DTXSID5027142 A5 ER Pathway Model, Antagonist Model Score 0 Unitless FC(F)(F)C1=CC=C(Cl)C(Cl)=C1 1,2-Dichloro-4-(trifluoromethyl)benzene 328-84-7|1,2-Dichloro-4-(trifluoromethyl)benzene|(3,4-Dichlorophenyl)trifluoromethane|1-(Trifluoromethyl)-3,4-dichlorobenzene|3,4-Dichloro-1-(trifluoromethyl)benzene|3,4-dichloro-alpha,alpha,alpha-trifluorotoluene|3,4-Dichloro-a,a,a-trifluorotoluene|3,4-Dichloro(trifluoromethyl)benzene|3,4-Dichlorobenzotrifluoride|3,4-Dichlorophenyltrifluoromethane|4-(Trifluoromethyl)-1,2-dichlorobenzene|Benzene, 1,2-dichloro-4-(trifluoromethyl)-|EINECS 206-337-1|Oxsol 1000|Toluene, 3,4-dichloro-alpha,alpha,alpha-trifluoro-|UN 1993|UNII-7G60XCU4GG https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027142
ERPathway2016 ERPathway2016_779 1,2-Dichloro-4-(trifluoromethyl)benzene 328-84-7 DTXSID5027142 A5 ER Pathway Model, Agonist Call Inactive Unitless FC(F)(F)C1=CC=C(Cl)C(Cl)=C1 1,2-Dichloro-4-(trifluoromethyl)benzene 328-84-7|1,2-Dichloro-4-(trifluoromethyl)benzene|(3,4-Dichlorophenyl)trifluoromethane|1-(Trifluoromethyl)-3,4-dichlorobenzene|3,4-Dichloro-1-(trifluoromethyl)benzene|3,4-dichloro-alpha,alpha,alpha-trifluorotoluene|3,4-Dichloro-a,a,a-trifluorotoluene|3,4-Dichloro(trifluoromethyl)benzene|3,4-Dichlorobenzotrifluoride|3,4-Dichlorophenyltrifluoromethane|4-(Trifluoromethyl)-1,2-dichlorobenzene|Benzene, 1,2-dichloro-4-(trifluoromethyl)-|EINECS 206-337-1|Oxsol 1000|Toluene, 3,4-dichloro-alpha,alpha,alpha-trifluoro-|UN 1993|UNII-7G60XCU4GG https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027142
ERPathway2016 ERPathway2016_779 1,2-Dichloro-4-(trifluoromethyl)benzene 328-84-7 DTXSID5027142 A5 ER Pathway Model, Antagonist Call Inactive Unitless FC(F)(F)C1=CC=C(Cl)C(Cl)=C1 1,2-Dichloro-4-(trifluoromethyl)benzene 328-84-7|1,2-Dichloro-4-(trifluoromethyl)benzene|(3,4-Dichlorophenyl)trifluoromethane|1-(Trifluoromethyl)-3,4-dichlorobenzene|3,4-Dichloro-1-(trifluoromethyl)benzene|3,4-dichloro-alpha,alpha,alpha-trifluorotoluene|3,4-Dichloro-a,a,a-trifluorotoluene|3,4-Dichloro(trifluoromethyl)benzene|3,4-Dichlorobenzotrifluoride|3,4-Dichlorophenyltrifluoromethane|4-(Trifluoromethyl)-1,2-dichlorobenzene|Benzene, 1,2-dichloro-4-(trifluoromethyl)-|EINECS 206-337-1|Oxsol 1000|Toluene, 3,4-dichloro-alpha,alpha,alpha-trifluoro-|UN 1993|UNII-7G60XCU4GG https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027142
ARPathway2016 ARPathway2016_1760 1,2-Dichlorobenzene 95-50-1 DTXSID6020430 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=C(Cl)C=CC=C1 1,2-Dichlorobenzene 95-50-1|1,2-Dichlorobenzene|1,2-Dichlorbenzol|1,2-diclorobenceno|Benzene, 1,2-dichloro-|Benzene, o-dichloro-|Caswell No. 301|Chloroben|Cloroben|Dichlorobenzene, ortho, liquid|Dilantin DB|Dilatin DB|Dowtherm E|EINECS 202-425-9|EPA Pesticide Chemical Code 059401|NCI-C54944|NSC 60644|o-Dichlor benzol|O-DICHLORBENZOL|o-dichlorobenzene|o-Dichlorobenzol|ortho-Dichlorobenzene|Orthodichlorobenzene|Orthodichlorobenzol|Special termite fluid|Termitkil|UN 1591|UNII-6PJ93I88XL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020430 https://doi.org/10.22427/NTP-DATA-DTXSID6020430
ARPathway2016 ARPathway2016_1760 1,2-Dichlorobenzene 95-50-1 DTXSID6020430 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=C(Cl)C=CC=C1 1,2-Dichlorobenzene 95-50-1|1,2-Dichlorobenzene|1,2-Dichlorbenzol|1,2-diclorobenceno|Benzene, 1,2-dichloro-|Benzene, o-dichloro-|Caswell No. 301|Chloroben|Cloroben|Dichlorobenzene, ortho, liquid|Dilantin DB|Dilatin DB|Dowtherm E|EINECS 202-425-9|EPA Pesticide Chemical Code 059401|NCI-C54944|NSC 60644|o-Dichlor benzol|O-DICHLORBENZOL|o-dichlorobenzene|o-Dichlorobenzol|ortho-Dichlorobenzene|Orthodichlorobenzene|Orthodichlorobenzol|Special termite fluid|Termitkil|UN 1591|UNII-6PJ93I88XL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020430 https://doi.org/10.22427/NTP-DATA-DTXSID6020430
ARPathway2016 ARPathway2016_1760 1,2-Dichlorobenzene 95-50-1 DTXSID6020430 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC1=C(Cl)C=CC=C1 1,2-Dichlorobenzene 95-50-1|1,2-Dichlorobenzene|1,2-Dichlorbenzol|1,2-diclorobenceno|Benzene, 1,2-dichloro-|Benzene, o-dichloro-|Caswell No. 301|Chloroben|Cloroben|Dichlorobenzene, ortho, liquid|Dilantin DB|Dilatin DB|Dowtherm E|EINECS 202-425-9|EPA Pesticide Chemical Code 059401|NCI-C54944|NSC 60644|o-Dichlor benzol|O-DICHLORBENZOL|o-dichlorobenzene|o-Dichlorobenzol|ortho-Dichlorobenzene|Orthodichlorobenzene|Orthodichlorobenzol|Special termite fluid|Termitkil|UN 1591|UNII-6PJ93I88XL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020430 https://doi.org/10.22427/NTP-DATA-DTXSID6020430
ARPathway2016 ARPathway2016_1760 1,2-Dichlorobenzene 95-50-1 DTXSID6020430 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=C(Cl)C=CC=C1 1,2-Dichlorobenzene 95-50-1|1,2-Dichlorobenzene|1,2-Dichlorbenzol|1,2-diclorobenceno|Benzene, 1,2-dichloro-|Benzene, o-dichloro-|Caswell No. 301|Chloroben|Cloroben|Dichlorobenzene, ortho, liquid|Dilantin DB|Dilatin DB|Dowtherm E|EINECS 202-425-9|EPA Pesticide Chemical Code 059401|NCI-C54944|NSC 60644|o-Dichlor benzol|O-DICHLORBENZOL|o-dichlorobenzene|o-Dichlorobenzol|ortho-Dichlorobenzene|Orthodichlorobenzene|Orthodichlorobenzol|Special termite fluid|Termitkil|UN 1591|UNII-6PJ93I88XL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020430 https://doi.org/10.22427/NTP-DATA-DTXSID6020430
ERPathway2016 ERPathway2016_60 1,2-Dichlorobenzene 95-50-1 DTXSID6020430 ER Pathway Model, Agonist AC50 30.1143959232987 uM ClC1=C(Cl)C=CC=C1 1,2-Dichlorobenzene 95-50-1|1,2-Dichlorobenzene|1,2-Dichlorbenzol|1,2-diclorobenceno|Benzene, 1,2-dichloro-|Benzene, o-dichloro-|Caswell No. 301|Chloroben|Cloroben|Dichlorobenzene, ortho, liquid|Dilantin DB|Dilatin DB|Dowtherm E|EINECS 202-425-9|EPA Pesticide Chemical Code 059401|NCI-C54944|NSC 60644|o-Dichlor benzol|O-DICHLORBENZOL|o-dichlorobenzene|o-Dichlorobenzol|ortho-Dichlorobenzene|Orthodichlorobenzene|Orthodichlorobenzol|Special termite fluid|Termitkil|UN 1591|UNII-6PJ93I88XL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020430 https://doi.org/10.22427/NTP-DATA-DTXSID6020430
ERPathway2016 ERPathway2016_60 1,2-Dichlorobenzene 95-50-1 DTXSID6020430 ER Pathway Model, Agonist ACC 38.4035932954712 uM ClC1=C(Cl)C=CC=C1 1,2-Dichlorobenzene 95-50-1|1,2-Dichlorobenzene|1,2-Dichlorbenzol|1,2-diclorobenceno|Benzene, 1,2-dichloro-|Benzene, o-dichloro-|Caswell No. 301|Chloroben|Cloroben|Dichlorobenzene, ortho, liquid|Dilantin DB|Dilatin DB|Dowtherm E|EINECS 202-425-9|EPA Pesticide Chemical Code 059401|NCI-C54944|NSC 60644|o-Dichlor benzol|O-DICHLORBENZOL|o-dichlorobenzene|o-Dichlorobenzol|ortho-Dichlorobenzene|Orthodichlorobenzene|Orthodichlorobenzol|Special termite fluid|Termitkil|UN 1591|UNII-6PJ93I88XL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020430 https://doi.org/10.22427/NTP-DATA-DTXSID6020430
ERPathway2016 ERPathway2016_60 1,2-Dichlorobenzene 95-50-1 DTXSID6020430 ER Pathway Model, Agonist Model Score 0.00153 Unitless ClC1=C(Cl)C=CC=C1 1,2-Dichlorobenzene 95-50-1|1,2-Dichlorobenzene|1,2-Dichlorbenzol|1,2-diclorobenceno|Benzene, 1,2-dichloro-|Benzene, o-dichloro-|Caswell No. 301|Chloroben|Cloroben|Dichlorobenzene, ortho, liquid|Dilantin DB|Dilatin DB|Dowtherm E|EINECS 202-425-9|EPA Pesticide Chemical Code 059401|NCI-C54944|NSC 60644|o-Dichlor benzol|O-DICHLORBENZOL|o-dichlorobenzene|o-Dichlorobenzol|ortho-Dichlorobenzene|Orthodichlorobenzene|Orthodichlorobenzol|Special termite fluid|Termitkil|UN 1591|UNII-6PJ93I88XL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020430 https://doi.org/10.22427/NTP-DATA-DTXSID6020430
ERPathway2016 ERPathway2016_60 1,2-Dichlorobenzene 95-50-1 DTXSID6020430 ER Pathway Model, Antagonist Model Score 0.00507 Unitless ClC1=C(Cl)C=CC=C1 1,2-Dichlorobenzene 95-50-1|1,2-Dichlorobenzene|1,2-Dichlorbenzol|1,2-diclorobenceno|Benzene, 1,2-dichloro-|Benzene, o-dichloro-|Caswell No. 301|Chloroben|Cloroben|Dichlorobenzene, ortho, liquid|Dilantin DB|Dilatin DB|Dowtherm E|EINECS 202-425-9|EPA Pesticide Chemical Code 059401|NCI-C54944|NSC 60644|o-Dichlor benzol|O-DICHLORBENZOL|o-dichlorobenzene|o-Dichlorobenzol|ortho-Dichlorobenzene|Orthodichlorobenzene|Orthodichlorobenzol|Special termite fluid|Termitkil|UN 1591|UNII-6PJ93I88XL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020430 https://doi.org/10.22427/NTP-DATA-DTXSID6020430
ERPathway2016 ERPathway2016_60 1,2-Dichlorobenzene 95-50-1 DTXSID6020430 ER Pathway Model, Agonist Call Active Unitless ClC1=C(Cl)C=CC=C1 1,2-Dichlorobenzene 95-50-1|1,2-Dichlorobenzene|1,2-Dichlorbenzol|1,2-diclorobenceno|Benzene, 1,2-dichloro-|Benzene, o-dichloro-|Caswell No. 301|Chloroben|Cloroben|Dichlorobenzene, ortho, liquid|Dilantin DB|Dilatin DB|Dowtherm E|EINECS 202-425-9|EPA Pesticide Chemical Code 059401|NCI-C54944|NSC 60644|o-Dichlor benzol|O-DICHLORBENZOL|o-dichlorobenzene|o-Dichlorobenzol|ortho-Dichlorobenzene|Orthodichlorobenzene|Orthodichlorobenzol|Special termite fluid|Termitkil|UN 1591|UNII-6PJ93I88XL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020430 https://doi.org/10.22427/NTP-DATA-DTXSID6020430
ERPathway2016 ERPathway2016_60 1,2-Dichlorobenzene 95-50-1 DTXSID6020430 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=C(Cl)C=CC=C1 1,2-Dichlorobenzene 95-50-1|1,2-Dichlorobenzene|1,2-Dichlorbenzol|1,2-diclorobenceno|Benzene, 1,2-dichloro-|Benzene, o-dichloro-|Caswell No. 301|Chloroben|Cloroben|Dichlorobenzene, ortho, liquid|Dilantin DB|Dilatin DB|Dowtherm E|EINECS 202-425-9|EPA Pesticide Chemical Code 059401|NCI-C54944|NSC 60644|o-Dichlor benzol|O-DICHLORBENZOL|o-dichlorobenzene|o-Dichlorobenzol|ortho-Dichlorobenzene|Orthodichlorobenzene|Orthodichlorobenzol|Special termite fluid|Termitkil|UN 1591|UNII-6PJ93I88XL https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020430 https://doi.org/10.22427/NTP-DATA-DTXSID6020430
ARPathway2016 ARPathway2016_1726 1,2-Dimethoxy-4-(2-propen-1-yl)benzene 93-15-2 DTXSID5025607 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(CC=C)C=C1OC 1,2-Dimethoxy-4-(2-propen-1-yl)benzene 93-15-2|1,2-Dimethoxy-4-(2-propen-1-yl)benzene|1-(3,4-Dimethoxyphenyl)-2-propene|1-Allyl-3,4-dimethoxybenzene|1,2-Dimethoxy-4-(2-propen-1-yl)benzene|1,2-Dimethoxy-4-(2-propenyl)benzene|1,2-Dimethoxy-4-allylbenzene|1,3,4-Eugenol methyl ether|3-(3,4-Dimethoxyphenyl)propene|3,4-Dimethoxy-1-(2-propenyl)benzene|3,4-Dimethoxyallylbenzene|4-alilveratrol|4-Allyl-1,2-(dimethoxy)-benzene|4-ALLYL-1,2-DIMETHOXY-BENZOL|4-Allyl-1,2-dimethoxybenzene|4-Allylveratrol|4-Allylveratrole|Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-|Benzene, 1,2-dimethoxy-4-(2-propenyl)-|Benzene, 4-allyl-1,2-dimethoxy-|BRN 1910871|Caswell No. 579AB|Chavibetol methyl ether|EINECS 202-223-0|EPA Pesticide Chemical Code 203900|Eugenol methyl ether|Eugenyl methyl ether|EUGENYL METHYL ETHER EXTRA|FEMA No. 2475|FEMA Number 2475|METHYL EUGENOL|Methyl eugenol ether|Methyl eugenyl ether|Methylchavibetol|Methyleugenol|NSC 209528|NSC 8900|O-Methyl eugenol|O-Methyleugenol|UNII-29T9VA6R7M|Veratrole methyl ether|Veratrole, 4-allyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025607 https://doi.org/10.22427/NTP-DATA-DTXSID5025607
ARPathway2016 ARPathway2016_1726 1,2-Dimethoxy-4-(2-propen-1-yl)benzene 93-15-2 DTXSID5025607 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(CC=C)C=C1OC 1,2-Dimethoxy-4-(2-propen-1-yl)benzene 93-15-2|1,2-Dimethoxy-4-(2-propen-1-yl)benzene|1-(3,4-Dimethoxyphenyl)-2-propene|1-Allyl-3,4-dimethoxybenzene|1,2-Dimethoxy-4-(2-propen-1-yl)benzene|1,2-Dimethoxy-4-(2-propenyl)benzene|1,2-Dimethoxy-4-allylbenzene|1,3,4-Eugenol methyl ether|3-(3,4-Dimethoxyphenyl)propene|3,4-Dimethoxy-1-(2-propenyl)benzene|3,4-Dimethoxyallylbenzene|4-alilveratrol|4-Allyl-1,2-(dimethoxy)-benzene|4-ALLYL-1,2-DIMETHOXY-BENZOL|4-Allyl-1,2-dimethoxybenzene|4-Allylveratrol|4-Allylveratrole|Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-|Benzene, 1,2-dimethoxy-4-(2-propenyl)-|Benzene, 4-allyl-1,2-dimethoxy-|BRN 1910871|Caswell No. 579AB|Chavibetol methyl ether|EINECS 202-223-0|EPA Pesticide Chemical Code 203900|Eugenol methyl ether|Eugenyl methyl ether|EUGENYL METHYL ETHER EXTRA|FEMA No. 2475|FEMA Number 2475|METHYL EUGENOL|Methyl eugenol ether|Methyl eugenyl ether|Methylchavibetol|Methyleugenol|NSC 209528|NSC 8900|O-Methyl eugenol|O-Methyleugenol|UNII-29T9VA6R7M|Veratrole methyl ether|Veratrole, 4-allyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025607 https://doi.org/10.22427/NTP-DATA-DTXSID5025607
ARPathway2016 ARPathway2016_1726 1,2-Dimethoxy-4-(2-propen-1-yl)benzene 93-15-2 DTXSID5025607 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(CC=C)C=C1OC 1,2-Dimethoxy-4-(2-propen-1-yl)benzene 93-15-2|1,2-Dimethoxy-4-(2-propen-1-yl)benzene|1-(3,4-Dimethoxyphenyl)-2-propene|1-Allyl-3,4-dimethoxybenzene|1,2-Dimethoxy-4-(2-propen-1-yl)benzene|1,2-Dimethoxy-4-(2-propenyl)benzene|1,2-Dimethoxy-4-allylbenzene|1,3,4-Eugenol methyl ether|3-(3,4-Dimethoxyphenyl)propene|3,4-Dimethoxy-1-(2-propenyl)benzene|3,4-Dimethoxyallylbenzene|4-alilveratrol|4-Allyl-1,2-(dimethoxy)-benzene|4-ALLYL-1,2-DIMETHOXY-BENZOL|4-Allyl-1,2-dimethoxybenzene|4-Allylveratrol|4-Allylveratrole|Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-|Benzene, 1,2-dimethoxy-4-(2-propenyl)-|Benzene, 4-allyl-1,2-dimethoxy-|BRN 1910871|Caswell No. 579AB|Chavibetol methyl ether|EINECS 202-223-0|EPA Pesticide Chemical Code 203900|Eugenol methyl ether|Eugenyl methyl ether|EUGENYL METHYL ETHER EXTRA|FEMA No. 2475|FEMA Number 2475|METHYL EUGENOL|Methyl eugenol ether|Methyl eugenyl ether|Methylchavibetol|Methyleugenol|NSC 209528|NSC 8900|O-Methyl eugenol|O-Methyleugenol|UNII-29T9VA6R7M|Veratrole methyl ether|Veratrole, 4-allyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025607 https://doi.org/10.22427/NTP-DATA-DTXSID5025607
ARPathway2016 ARPathway2016_1726 1,2-Dimethoxy-4-(2-propen-1-yl)benzene 93-15-2 DTXSID5025607 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(CC=C)C=C1OC 1,2-Dimethoxy-4-(2-propen-1-yl)benzene 93-15-2|1,2-Dimethoxy-4-(2-propen-1-yl)benzene|1-(3,4-Dimethoxyphenyl)-2-propene|1-Allyl-3,4-dimethoxybenzene|1,2-Dimethoxy-4-(2-propen-1-yl)benzene|1,2-Dimethoxy-4-(2-propenyl)benzene|1,2-Dimethoxy-4-allylbenzene|1,3,4-Eugenol methyl ether|3-(3,4-Dimethoxyphenyl)propene|3,4-Dimethoxy-1-(2-propenyl)benzene|3,4-Dimethoxyallylbenzene|4-alilveratrol|4-Allyl-1,2-(dimethoxy)-benzene|4-ALLYL-1,2-DIMETHOXY-BENZOL|4-Allyl-1,2-dimethoxybenzene|4-Allylveratrol|4-Allylveratrole|Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-|Benzene, 1,2-dimethoxy-4-(2-propenyl)-|Benzene, 4-allyl-1,2-dimethoxy-|BRN 1910871|Caswell No. 579AB|Chavibetol methyl ether|EINECS 202-223-0|EPA Pesticide Chemical Code 203900|Eugenol methyl ether|Eugenyl methyl ether|EUGENYL METHYL ETHER EXTRA|FEMA No. 2475|FEMA Number 2475|METHYL EUGENOL|Methyl eugenol ether|Methyl eugenyl ether|Methylchavibetol|Methyleugenol|NSC 209528|NSC 8900|O-Methyl eugenol|O-Methyleugenol|UNII-29T9VA6R7M|Veratrole methyl ether|Veratrole, 4-allyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025607 https://doi.org/10.22427/NTP-DATA-DTXSID5025607
ERPathway2016 ERPathway2016_1746 1,2-Dimethoxy-4-(2-propen-1-yl)benzene 93-15-2 DTXSID5025607 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(CC=C)C=C1OC 1,2-Dimethoxy-4-(2-propen-1-yl)benzene 93-15-2|1,2-Dimethoxy-4-(2-propen-1-yl)benzene|1-(3,4-Dimethoxyphenyl)-2-propene|1-Allyl-3,4-dimethoxybenzene|1,2-Dimethoxy-4-(2-propen-1-yl)benzene|1,2-Dimethoxy-4-(2-propenyl)benzene|1,2-Dimethoxy-4-allylbenzene|1,3,4-Eugenol methyl ether|3-(3,4-Dimethoxyphenyl)propene|3,4-Dimethoxy-1-(2-propenyl)benzene|3,4-Dimethoxyallylbenzene|4-alilveratrol|4-Allyl-1,2-(dimethoxy)-benzene|4-ALLYL-1,2-DIMETHOXY-BENZOL|4-Allyl-1,2-dimethoxybenzene|4-Allylveratrol|4-Allylveratrole|Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-|Benzene, 1,2-dimethoxy-4-(2-propenyl)-|Benzene, 4-allyl-1,2-dimethoxy-|BRN 1910871|Caswell No. 579AB|Chavibetol methyl ether|EINECS 202-223-0|EPA Pesticide Chemical Code 203900|Eugenol methyl ether|Eugenyl methyl ether|EUGENYL METHYL ETHER EXTRA|FEMA No. 2475|FEMA Number 2475|METHYL EUGENOL|Methyl eugenol ether|Methyl eugenyl ether|Methylchavibetol|Methyleugenol|NSC 209528|NSC 8900|O-Methyl eugenol|O-Methyleugenol|UNII-29T9VA6R7M|Veratrole methyl ether|Veratrole, 4-allyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025607 https://doi.org/10.22427/NTP-DATA-DTXSID5025607
ERPathway2016 ERPathway2016_1746 1,2-Dimethoxy-4-(2-propen-1-yl)benzene 93-15-2 DTXSID5025607 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(CC=C)C=C1OC 1,2-Dimethoxy-4-(2-propen-1-yl)benzene 93-15-2|1,2-Dimethoxy-4-(2-propen-1-yl)benzene|1-(3,4-Dimethoxyphenyl)-2-propene|1-Allyl-3,4-dimethoxybenzene|1,2-Dimethoxy-4-(2-propen-1-yl)benzene|1,2-Dimethoxy-4-(2-propenyl)benzene|1,2-Dimethoxy-4-allylbenzene|1,3,4-Eugenol methyl ether|3-(3,4-Dimethoxyphenyl)propene|3,4-Dimethoxy-1-(2-propenyl)benzene|3,4-Dimethoxyallylbenzene|4-alilveratrol|4-Allyl-1,2-(dimethoxy)-benzene|4-ALLYL-1,2-DIMETHOXY-BENZOL|4-Allyl-1,2-dimethoxybenzene|4-Allylveratrol|4-Allylveratrole|Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-|Benzene, 1,2-dimethoxy-4-(2-propenyl)-|Benzene, 4-allyl-1,2-dimethoxy-|BRN 1910871|Caswell No. 579AB|Chavibetol methyl ether|EINECS 202-223-0|EPA Pesticide Chemical Code 203900|Eugenol methyl ether|Eugenyl methyl ether|EUGENYL METHYL ETHER EXTRA|FEMA No. 2475|FEMA Number 2475|METHYL EUGENOL|Methyl eugenol ether|Methyl eugenyl ether|Methylchavibetol|Methyleugenol|NSC 209528|NSC 8900|O-Methyl eugenol|O-Methyleugenol|UNII-29T9VA6R7M|Veratrole methyl ether|Veratrole, 4-allyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025607 https://doi.org/10.22427/NTP-DATA-DTXSID5025607
ERPathway2016 ERPathway2016_1746 1,2-Dimethoxy-4-(2-propen-1-yl)benzene 93-15-2 DTXSID5025607 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(CC=C)C=C1OC 1,2-Dimethoxy-4-(2-propen-1-yl)benzene 93-15-2|1,2-Dimethoxy-4-(2-propen-1-yl)benzene|1-(3,4-Dimethoxyphenyl)-2-propene|1-Allyl-3,4-dimethoxybenzene|1,2-Dimethoxy-4-(2-propen-1-yl)benzene|1,2-Dimethoxy-4-(2-propenyl)benzene|1,2-Dimethoxy-4-allylbenzene|1,3,4-Eugenol methyl ether|3-(3,4-Dimethoxyphenyl)propene|3,4-Dimethoxy-1-(2-propenyl)benzene|3,4-Dimethoxyallylbenzene|4-alilveratrol|4-Allyl-1,2-(dimethoxy)-benzene|4-ALLYL-1,2-DIMETHOXY-BENZOL|4-Allyl-1,2-dimethoxybenzene|4-Allylveratrol|4-Allylveratrole|Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-|Benzene, 1,2-dimethoxy-4-(2-propenyl)-|Benzene, 4-allyl-1,2-dimethoxy-|BRN 1910871|Caswell No. 579AB|Chavibetol methyl ether|EINECS 202-223-0|EPA Pesticide Chemical Code 203900|Eugenol methyl ether|Eugenyl methyl ether|EUGENYL METHYL ETHER EXTRA|FEMA No. 2475|FEMA Number 2475|METHYL EUGENOL|Methyl eugenol ether|Methyl eugenyl ether|Methylchavibetol|Methyleugenol|NSC 209528|NSC 8900|O-Methyl eugenol|O-Methyleugenol|UNII-29T9VA6R7M|Veratrole methyl ether|Veratrole, 4-allyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025607 https://doi.org/10.22427/NTP-DATA-DTXSID5025607
ERPathway2016 ERPathway2016_1746 1,2-Dimethoxy-4-(2-propen-1-yl)benzene 93-15-2 DTXSID5025607 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(CC=C)C=C1OC 1,2-Dimethoxy-4-(2-propen-1-yl)benzene 93-15-2|1,2-Dimethoxy-4-(2-propen-1-yl)benzene|1-(3,4-Dimethoxyphenyl)-2-propene|1-Allyl-3,4-dimethoxybenzene|1,2-Dimethoxy-4-(2-propen-1-yl)benzene|1,2-Dimethoxy-4-(2-propenyl)benzene|1,2-Dimethoxy-4-allylbenzene|1,3,4-Eugenol methyl ether|3-(3,4-Dimethoxyphenyl)propene|3,4-Dimethoxy-1-(2-propenyl)benzene|3,4-Dimethoxyallylbenzene|4-alilveratrol|4-Allyl-1,2-(dimethoxy)-benzene|4-ALLYL-1,2-DIMETHOXY-BENZOL|4-Allyl-1,2-dimethoxybenzene|4-Allylveratrol|4-Allylveratrole|Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-|Benzene, 1,2-dimethoxy-4-(2-propenyl)-|Benzene, 4-allyl-1,2-dimethoxy-|BRN 1910871|Caswell No. 579AB|Chavibetol methyl ether|EINECS 202-223-0|EPA Pesticide Chemical Code 203900|Eugenol methyl ether|Eugenyl methyl ether|EUGENYL METHYL ETHER EXTRA|FEMA No. 2475|FEMA Number 2475|METHYL EUGENOL|Methyl eugenol ether|Methyl eugenyl ether|Methylchavibetol|Methyleugenol|NSC 209528|NSC 8900|O-Methyl eugenol|O-Methyleugenol|UNII-29T9VA6R7M|Veratrole methyl ether|Veratrole, 4-allyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025607 https://doi.org/10.22427/NTP-DATA-DTXSID5025607
ARPathway2016 ARPathway2016_1631 1,2-Dimethyl-3-nitrobenzene 83-41-0 DTXSID7025132 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=CC(=C1C)[N+]([O-])=O 1,2-Dimethyl-3-nitrobenzene 83-41-0|1,2-Dimethyl-3-nitrobenzene|2,3-Dimethylnitrobenzene|3-Nitro-o-xylene|Benzene, 1,2-dimethyl-3-nitro-|EINECS 201-474-3|NSC 5402|o-Xylene, 3-nitro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025132 https://doi.org/10.22427/NTP-DATA-DTXSID7025132
ARPathway2016 ARPathway2016_1631 1,2-Dimethyl-3-nitrobenzene 83-41-0 DTXSID7025132 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=CC(=C1C)[N+]([O-])=O 1,2-Dimethyl-3-nitrobenzene 83-41-0|1,2-Dimethyl-3-nitrobenzene|2,3-Dimethylnitrobenzene|3-Nitro-o-xylene|Benzene, 1,2-dimethyl-3-nitro-|EINECS 201-474-3|NSC 5402|o-Xylene, 3-nitro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025132 https://doi.org/10.22427/NTP-DATA-DTXSID7025132
ARPathway2016 ARPathway2016_1631 1,2-Dimethyl-3-nitrobenzene 83-41-0 DTXSID7025132 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=CC(=C1C)[N+]([O-])=O 1,2-Dimethyl-3-nitrobenzene 83-41-0|1,2-Dimethyl-3-nitrobenzene|2,3-Dimethylnitrobenzene|3-Nitro-o-xylene|Benzene, 1,2-dimethyl-3-nitro-|EINECS 201-474-3|NSC 5402|o-Xylene, 3-nitro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025132 https://doi.org/10.22427/NTP-DATA-DTXSID7025132
ARPathway2016 ARPathway2016_1631 1,2-Dimethyl-3-nitrobenzene 83-41-0 DTXSID7025132 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=CC(=C1C)[N+]([O-])=O 1,2-Dimethyl-3-nitrobenzene 83-41-0|1,2-Dimethyl-3-nitrobenzene|2,3-Dimethylnitrobenzene|3-Nitro-o-xylene|Benzene, 1,2-dimethyl-3-nitro-|EINECS 201-474-3|NSC 5402|o-Xylene, 3-nitro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025132 https://doi.org/10.22427/NTP-DATA-DTXSID7025132
ERPathway2016 ERPathway2016_905 1,2-Dimethyl-3-nitrobenzene 83-41-0 DTXSID7025132 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=CC(=C1C)[N+]([O-])=O 1,2-Dimethyl-3-nitrobenzene 83-41-0|1,2-Dimethyl-3-nitrobenzene|2,3-Dimethylnitrobenzene|3-Nitro-o-xylene|Benzene, 1,2-dimethyl-3-nitro-|EINECS 201-474-3|NSC 5402|o-Xylene, 3-nitro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025132 https://doi.org/10.22427/NTP-DATA-DTXSID7025132
ERPathway2016 ERPathway2016_905 1,2-Dimethyl-3-nitrobenzene 83-41-0 DTXSID7025132 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=CC(=C1C)[N+]([O-])=O 1,2-Dimethyl-3-nitrobenzene 83-41-0|1,2-Dimethyl-3-nitrobenzene|2,3-Dimethylnitrobenzene|3-Nitro-o-xylene|Benzene, 1,2-dimethyl-3-nitro-|EINECS 201-474-3|NSC 5402|o-Xylene, 3-nitro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025132 https://doi.org/10.22427/NTP-DATA-DTXSID7025132
ERPathway2016 ERPathway2016_905 1,2-Dimethyl-3-nitrobenzene 83-41-0 DTXSID7025132 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=CC(=C1C)[N+]([O-])=O 1,2-Dimethyl-3-nitrobenzene 83-41-0|1,2-Dimethyl-3-nitrobenzene|2,3-Dimethylnitrobenzene|3-Nitro-o-xylene|Benzene, 1,2-dimethyl-3-nitro-|EINECS 201-474-3|NSC 5402|o-Xylene, 3-nitro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025132 https://doi.org/10.22427/NTP-DATA-DTXSID7025132
ERPathway2016 ERPathway2016_905 1,2-Dimethyl-3-nitrobenzene 83-41-0 DTXSID7025132 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=CC(=C1C)[N+]([O-])=O 1,2-Dimethyl-3-nitrobenzene 83-41-0|1,2-Dimethyl-3-nitrobenzene|2,3-Dimethylnitrobenzene|3-Nitro-o-xylene|Benzene, 1,2-dimethyl-3-nitro-|EINECS 201-474-3|NSC 5402|o-Xylene, 3-nitro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025132 https://doi.org/10.22427/NTP-DATA-DTXSID7025132
ARPathway2016 ARPathway2016_1813 1,2-Dimethyl-4-nitrobenzene 99-51-4 DTXSID2025133 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C=C1C)[N+]([O-])=O 1,2-Dimethyl-4-nitrobenzene 99-51-4|1,2-Dimethyl-4-nitrobenzene|3,4-Dimethyl-1-nitrobenzene|4-Nitro-1,2-dimethylbenzene|4-Nitro-o-xylene|Benzene, 1,2-dimethyl-4-nitro-|EINECS 202-761-6|NSC 66555|o-Xylene, 4-nitro-|p-Nitro-o-xylene|para-Nitro-ortho-xylene|UNII-FI6475010K https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025133 https://doi.org/10.22427/NTP-DATA-DTXSID2025133
ARPathway2016 ARPathway2016_1813 1,2-Dimethyl-4-nitrobenzene 99-51-4 DTXSID2025133 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C=C1C)[N+]([O-])=O 1,2-Dimethyl-4-nitrobenzene 99-51-4|1,2-Dimethyl-4-nitrobenzene|3,4-Dimethyl-1-nitrobenzene|4-Nitro-1,2-dimethylbenzene|4-Nitro-o-xylene|Benzene, 1,2-dimethyl-4-nitro-|EINECS 202-761-6|NSC 66555|o-Xylene, 4-nitro-|p-Nitro-o-xylene|para-Nitro-ortho-xylene|UNII-FI6475010K https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025133 https://doi.org/10.22427/NTP-DATA-DTXSID2025133
ARPathway2016 ARPathway2016_1813 1,2-Dimethyl-4-nitrobenzene 99-51-4 DTXSID2025133 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C=C1C)[N+]([O-])=O 1,2-Dimethyl-4-nitrobenzene 99-51-4|1,2-Dimethyl-4-nitrobenzene|3,4-Dimethyl-1-nitrobenzene|4-Nitro-1,2-dimethylbenzene|4-Nitro-o-xylene|Benzene, 1,2-dimethyl-4-nitro-|EINECS 202-761-6|NSC 66555|o-Xylene, 4-nitro-|p-Nitro-o-xylene|para-Nitro-ortho-xylene|UNII-FI6475010K https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025133 https://doi.org/10.22427/NTP-DATA-DTXSID2025133
ARPathway2016 ARPathway2016_1813 1,2-Dimethyl-4-nitrobenzene 99-51-4 DTXSID2025133 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C=C1C)[N+]([O-])=O 1,2-Dimethyl-4-nitrobenzene 99-51-4|1,2-Dimethyl-4-nitrobenzene|3,4-Dimethyl-1-nitrobenzene|4-Nitro-1,2-dimethylbenzene|4-Nitro-o-xylene|Benzene, 1,2-dimethyl-4-nitro-|EINECS 202-761-6|NSC 66555|o-Xylene, 4-nitro-|p-Nitro-o-xylene|para-Nitro-ortho-xylene|UNII-FI6475010K https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025133 https://doi.org/10.22427/NTP-DATA-DTXSID2025133
ERPathway2016 ERPathway2016_1793 1,2-Dimethyl-4-nitrobenzene 99-51-4 DTXSID2025133 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C=C1C)[N+]([O-])=O 1,2-Dimethyl-4-nitrobenzene 99-51-4|1,2-Dimethyl-4-nitrobenzene|3,4-Dimethyl-1-nitrobenzene|4-Nitro-1,2-dimethylbenzene|4-Nitro-o-xylene|Benzene, 1,2-dimethyl-4-nitro-|EINECS 202-761-6|NSC 66555|o-Xylene, 4-nitro-|p-Nitro-o-xylene|para-Nitro-ortho-xylene|UNII-FI6475010K https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025133 https://doi.org/10.22427/NTP-DATA-DTXSID2025133
ERPathway2016 ERPathway2016_1793 1,2-Dimethyl-4-nitrobenzene 99-51-4 DTXSID2025133 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C=C1C)[N+]([O-])=O 1,2-Dimethyl-4-nitrobenzene 99-51-4|1,2-Dimethyl-4-nitrobenzene|3,4-Dimethyl-1-nitrobenzene|4-Nitro-1,2-dimethylbenzene|4-Nitro-o-xylene|Benzene, 1,2-dimethyl-4-nitro-|EINECS 202-761-6|NSC 66555|o-Xylene, 4-nitro-|p-Nitro-o-xylene|para-Nitro-ortho-xylene|UNII-FI6475010K https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025133 https://doi.org/10.22427/NTP-DATA-DTXSID2025133
ERPathway2016 ERPathway2016_1793 1,2-Dimethyl-4-nitrobenzene 99-51-4 DTXSID2025133 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C=C1C)[N+]([O-])=O 1,2-Dimethyl-4-nitrobenzene 99-51-4|1,2-Dimethyl-4-nitrobenzene|3,4-Dimethyl-1-nitrobenzene|4-Nitro-1,2-dimethylbenzene|4-Nitro-o-xylene|Benzene, 1,2-dimethyl-4-nitro-|EINECS 202-761-6|NSC 66555|o-Xylene, 4-nitro-|p-Nitro-o-xylene|para-Nitro-ortho-xylene|UNII-FI6475010K https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025133 https://doi.org/10.22427/NTP-DATA-DTXSID2025133
ERPathway2016 ERPathway2016_1793 1,2-Dimethyl-4-nitrobenzene 99-51-4 DTXSID2025133 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C=C1C)[N+]([O-])=O 1,2-Dimethyl-4-nitrobenzene 99-51-4|1,2-Dimethyl-4-nitrobenzene|3,4-Dimethyl-1-nitrobenzene|4-Nitro-1,2-dimethylbenzene|4-Nitro-o-xylene|Benzene, 1,2-dimethyl-4-nitro-|EINECS 202-761-6|NSC 66555|o-Xylene, 4-nitro-|p-Nitro-o-xylene|para-Nitro-ortho-xylene|UNII-FI6475010K https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025133 https://doi.org/10.22427/NTP-DATA-DTXSID2025133
ARPathway2016 ARPathway2016_200 1,2-Dinitrobenzene 528-29-0 DTXSID4024066 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 55.6663036936841 uM [O-][N+](=O)C1=C(C=CC=C1)[N+]([O-])=O 1,2-Dinitrobenzene 528-29-0|1,2-Dinitrobenzene|1,2-dinitrobenceno|1,2-Dinitrobenzol|Benzene, 1,2-dinitro-|Benzene, o-dinitro-|DINITROBENZENE|Dinitrobenzene, all isomers|EINECS 208-431-8|NSC 60682|o-Dinitrobenzene|Ortho-dinitrobenzene|UNII-35XUO924Y0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024066
ARPathway2016 ARPathway2016_200 1,2-Dinitrobenzene 528-29-0 DTXSID4024066 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 41.3775417 uM [O-][N+](=O)C1=C(C=CC=C1)[N+]([O-])=O 1,2-Dinitrobenzene 528-29-0|1,2-Dinitrobenzene|1,2-dinitrobenceno|1,2-Dinitrobenzol|Benzene, 1,2-dinitro-|Benzene, o-dinitro-|DINITROBENZENE|Dinitrobenzene, all isomers|EINECS 208-431-8|NSC 60682|o-Dinitrobenzene|Ortho-dinitrobenzene|UNII-35XUO924Y0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024066
ARPathway2016 ARPathway2016_200 1,2-Dinitrobenzene 528-29-0 DTXSID4024066 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.067 Unitless [O-][N+](=O)C1=C(C=CC=C1)[N+]([O-])=O 1,2-Dinitrobenzene 528-29-0|1,2-Dinitrobenzene|1,2-dinitrobenceno|1,2-Dinitrobenzol|Benzene, 1,2-dinitro-|Benzene, o-dinitro-|DINITROBENZENE|Dinitrobenzene, all isomers|EINECS 208-431-8|NSC 60682|o-Dinitrobenzene|Ortho-dinitrobenzene|UNII-35XUO924Y0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024066
ARPathway2016 ARPathway2016_200 1,2-Dinitrobenzene 528-29-0 DTXSID4024066 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)C1=C(C=CC=C1)[N+]([O-])=O 1,2-Dinitrobenzene 528-29-0|1,2-Dinitrobenzene|1,2-dinitrobenceno|1,2-Dinitrobenzol|Benzene, 1,2-dinitro-|Benzene, o-dinitro-|DINITROBENZENE|Dinitrobenzene, all isomers|EINECS 208-431-8|NSC 60682|o-Dinitrobenzene|Ortho-dinitrobenzene|UNII-35XUO924Y0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024066
ARPathway2016 ARPathway2016_200 1,2-Dinitrobenzene 528-29-0 DTXSID4024066 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [O-][N+](=O)C1=C(C=CC=C1)[N+]([O-])=O 1,2-Dinitrobenzene 528-29-0|1,2-Dinitrobenzene|1,2-dinitrobenceno|1,2-Dinitrobenzol|Benzene, 1,2-dinitro-|Benzene, o-dinitro-|DINITROBENZENE|Dinitrobenzene, all isomers|EINECS 208-431-8|NSC 60682|o-Dinitrobenzene|Ortho-dinitrobenzene|UNII-35XUO924Y0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024066
ARPathway2016 ARPathway2016_200 1,2-Dinitrobenzene 528-29-0 DTXSID4024066 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=C(C=CC=C1)[N+]([O-])=O 1,2-Dinitrobenzene 528-29-0|1,2-Dinitrobenzene|1,2-dinitrobenceno|1,2-Dinitrobenzol|Benzene, 1,2-dinitro-|Benzene, o-dinitro-|DINITROBENZENE|Dinitrobenzene, all isomers|EINECS 208-431-8|NSC 60682|o-Dinitrobenzene|Ortho-dinitrobenzene|UNII-35XUO924Y0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024066
ERPathway2016 ERPathway2016_991 1,2-Dinitrobenzene 528-29-0 DTXSID4024066 ER Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)C1=C(C=CC=C1)[N+]([O-])=O 1,2-Dinitrobenzene 528-29-0|1,2-Dinitrobenzene|1,2-dinitrobenceno|1,2-Dinitrobenzol|Benzene, 1,2-dinitro-|Benzene, o-dinitro-|DINITROBENZENE|Dinitrobenzene, all isomers|EINECS 208-431-8|NSC 60682|o-Dinitrobenzene|Ortho-dinitrobenzene|UNII-35XUO924Y0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024066
ERPathway2016 ERPathway2016_991 1,2-Dinitrobenzene 528-29-0 DTXSID4024066 ER Pathway Model, Antagonist Model Score 0 Unitless [O-][N+](=O)C1=C(C=CC=C1)[N+]([O-])=O 1,2-Dinitrobenzene 528-29-0|1,2-Dinitrobenzene|1,2-dinitrobenceno|1,2-Dinitrobenzol|Benzene, 1,2-dinitro-|Benzene, o-dinitro-|DINITROBENZENE|Dinitrobenzene, all isomers|EINECS 208-431-8|NSC 60682|o-Dinitrobenzene|Ortho-dinitrobenzene|UNII-35XUO924Y0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024066
ERPathway2016 ERPathway2016_991 1,2-Dinitrobenzene 528-29-0 DTXSID4024066 ER Pathway Model, Agonist Call Inactive Unitless [O-][N+](=O)C1=C(C=CC=C1)[N+]([O-])=O 1,2-Dinitrobenzene 528-29-0|1,2-Dinitrobenzene|1,2-dinitrobenceno|1,2-Dinitrobenzol|Benzene, 1,2-dinitro-|Benzene, o-dinitro-|DINITROBENZENE|Dinitrobenzene, all isomers|EINECS 208-431-8|NSC 60682|o-Dinitrobenzene|Ortho-dinitrobenzene|UNII-35XUO924Y0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024066
ERPathway2016 ERPathway2016_991 1,2-Dinitrobenzene 528-29-0 DTXSID4024066 ER Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=C(C=CC=C1)[N+]([O-])=O 1,2-Dinitrobenzene 528-29-0|1,2-Dinitrobenzene|1,2-dinitrobenceno|1,2-Dinitrobenzol|Benzene, 1,2-dinitro-|Benzene, o-dinitro-|DINITROBENZENE|Dinitrobenzene, all isomers|EINECS 208-431-8|NSC 60682|o-Dinitrobenzene|Ortho-dinitrobenzene|UNII-35XUO924Y0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024066
ARPathway2016 ARPathway2016_450 1,2-Diphenoxyethane 104-66-5 DTXSID5026706 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C(COC1=CC=CC=C1)OC1=CC=CC=C1 1,2-Diphenoxyethane 104-66-5|1,2-Diphenoxyethane|2-Phenoxyethyl phenyl ether|Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis-|EINECS 203-224-9|Ethylene glycol diphenyl ether|NSC 6794 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026706
ARPathway2016 ARPathway2016_450 1,2-Diphenoxyethane 104-66-5 DTXSID5026706 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C(COC1=CC=CC=C1)OC1=CC=CC=C1 1,2-Diphenoxyethane 104-66-5|1,2-Diphenoxyethane|2-Phenoxyethyl phenyl ether|Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis-|EINECS 203-224-9|Ethylene glycol diphenyl ether|NSC 6794 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026706
ARPathway2016 ARPathway2016_450 1,2-Diphenoxyethane 104-66-5 DTXSID5026706 0.0 AR Pathway Model, Agonist Call Inactive Unitless C(COC1=CC=CC=C1)OC1=CC=CC=C1 1,2-Diphenoxyethane 104-66-5|1,2-Diphenoxyethane|2-Phenoxyethyl phenyl ether|Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis-|EINECS 203-224-9|Ethylene glycol diphenyl ether|NSC 6794 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026706
ARPathway2016 ARPathway2016_450 1,2-Diphenoxyethane 104-66-5 DTXSID5026706 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C(COC1=CC=CC=C1)OC1=CC=CC=C1 1,2-Diphenoxyethane 104-66-5|1,2-Diphenoxyethane|2-Phenoxyethyl phenyl ether|Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis-|EINECS 203-224-9|Ethylene glycol diphenyl ether|NSC 6794 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026706
ERPathway2016 ERPathway2016_1078 1,2-Diphenoxyethane 104-66-5 DTXSID5026706 ER Pathway Model, Agonist Model Score 0 Unitless C(COC1=CC=CC=C1)OC1=CC=CC=C1 1,2-Diphenoxyethane 104-66-5|1,2-Diphenoxyethane|2-Phenoxyethyl phenyl ether|Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis-|EINECS 203-224-9|Ethylene glycol diphenyl ether|NSC 6794 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026706
ERPathway2016 ERPathway2016_1078 1,2-Diphenoxyethane 104-66-5 DTXSID5026706 ER Pathway Model, Antagonist Model Score 0 Unitless C(COC1=CC=CC=C1)OC1=CC=CC=C1 1,2-Diphenoxyethane 104-66-5|1,2-Diphenoxyethane|2-Phenoxyethyl phenyl ether|Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis-|EINECS 203-224-9|Ethylene glycol diphenyl ether|NSC 6794 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026706
ERPathway2016 ERPathway2016_1078 1,2-Diphenoxyethane 104-66-5 DTXSID5026706 ER Pathway Model, Agonist Call Inactive Unitless C(COC1=CC=CC=C1)OC1=CC=CC=C1 1,2-Diphenoxyethane 104-66-5|1,2-Diphenoxyethane|2-Phenoxyethyl phenyl ether|Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis-|EINECS 203-224-9|Ethylene glycol diphenyl ether|NSC 6794 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026706
ERPathway2016 ERPathway2016_1078 1,2-Diphenoxyethane 104-66-5 DTXSID5026706 ER Pathway Model, Antagonist Call Inactive Unitless C(COC1=CC=CC=C1)OC1=CC=CC=C1 1,2-Diphenoxyethane 104-66-5|1,2-Diphenoxyethane|2-Phenoxyethyl phenyl ether|Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis-|EINECS 203-224-9|Ethylene glycol diphenyl ether|NSC 6794 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026706
ARPathway2016 ARPathway2016_1216 1,2-Diphenylethanone 451-40-1 DTXSID6044430 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C(CC1=CC=CC=C1)C1=CC=CC=C1 1,2-Diphenylethanone 451-40-1|1,2-Diphenylethanone|1,2-Diphenylethan-1-one|2-Phenylacetophenone|4-07-00-01393|Acetophenone, 2-phenyl-|Benzoin, deoxy-|Benzyl Phenyl Ketone|BRN 1072876|deoxybenzoin|desoxibenzoina|Desoxybenzoin|Desoxybenzoine|EINECS 207-193-2|Ethanone, 1,2-diphenyl-|NSC 131456|NSC 249236|NSC 6097|Phenyl benzyl ketone|Phenylmethyl phenyl ketone|UNII-F17V6C9PZX|a-Phenylacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044430
ARPathway2016 ARPathway2016_1216 1,2-Diphenylethanone 451-40-1 DTXSID6044430 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C(CC1=CC=CC=C1)C1=CC=CC=C1 1,2-Diphenylethanone 451-40-1|1,2-Diphenylethanone|1,2-Diphenylethan-1-one|2-Phenylacetophenone|4-07-00-01393|Acetophenone, 2-phenyl-|Benzoin, deoxy-|Benzyl Phenyl Ketone|BRN 1072876|deoxybenzoin|desoxibenzoina|Desoxybenzoin|Desoxybenzoine|EINECS 207-193-2|Ethanone, 1,2-diphenyl-|NSC 131456|NSC 249236|NSC 6097|Phenyl benzyl ketone|Phenylmethyl phenyl ketone|UNII-F17V6C9PZX|a-Phenylacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044430
ARPathway2016 ARPathway2016_1216 1,2-Diphenylethanone 451-40-1 DTXSID6044430 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C(CC1=CC=CC=C1)C1=CC=CC=C1 1,2-Diphenylethanone 451-40-1|1,2-Diphenylethanone|1,2-Diphenylethan-1-one|2-Phenylacetophenone|4-07-00-01393|Acetophenone, 2-phenyl-|Benzoin, deoxy-|Benzyl Phenyl Ketone|BRN 1072876|deoxybenzoin|desoxibenzoina|Desoxybenzoin|Desoxybenzoine|EINECS 207-193-2|Ethanone, 1,2-diphenyl-|NSC 131456|NSC 249236|NSC 6097|Phenyl benzyl ketone|Phenylmethyl phenyl ketone|UNII-F17V6C9PZX|a-Phenylacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044430
ARPathway2016 ARPathway2016_1216 1,2-Diphenylethanone 451-40-1 DTXSID6044430 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C(CC1=CC=CC=C1)C1=CC=CC=C1 1,2-Diphenylethanone 451-40-1|1,2-Diphenylethanone|1,2-Diphenylethan-1-one|2-Phenylacetophenone|4-07-00-01393|Acetophenone, 2-phenyl-|Benzoin, deoxy-|Benzyl Phenyl Ketone|BRN 1072876|deoxybenzoin|desoxibenzoina|Desoxybenzoin|Desoxybenzoine|EINECS 207-193-2|Ethanone, 1,2-diphenyl-|NSC 131456|NSC 249236|NSC 6097|Phenyl benzyl ketone|Phenylmethyl phenyl ketone|UNII-F17V6C9PZX|a-Phenylacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044430
ERPathway2016 ERPathway2016_329 1,2-Diphenylethanone 451-40-1 DTXSID6044430 ER Pathway Model, Antagonist AC50 38.6492936276643 uM O=C(CC1=CC=CC=C1)C1=CC=CC=C1 1,2-Diphenylethanone 451-40-1|1,2-Diphenylethanone|1,2-Diphenylethan-1-one|2-Phenylacetophenone|4-07-00-01393|Acetophenone, 2-phenyl-|Benzoin, deoxy-|Benzyl Phenyl Ketone|BRN 1072876|deoxybenzoin|desoxibenzoina|Desoxybenzoin|Desoxybenzoine|EINECS 207-193-2|Ethanone, 1,2-diphenyl-|NSC 131456|NSC 249236|NSC 6097|Phenyl benzyl ketone|Phenylmethyl phenyl ketone|UNII-F17V6C9PZX|a-Phenylacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044430
ERPathway2016 ERPathway2016_329 1,2-Diphenylethanone 451-40-1 DTXSID6044430 ER Pathway Model, Antagonist ACC 39.7572004458753 uM O=C(CC1=CC=CC=C1)C1=CC=CC=C1 1,2-Diphenylethanone 451-40-1|1,2-Diphenylethanone|1,2-Diphenylethan-1-one|2-Phenylacetophenone|4-07-00-01393|Acetophenone, 2-phenyl-|Benzoin, deoxy-|Benzyl Phenyl Ketone|BRN 1072876|deoxybenzoin|desoxibenzoina|Desoxybenzoin|Desoxybenzoine|EINECS 207-193-2|Ethanone, 1,2-diphenyl-|NSC 131456|NSC 249236|NSC 6097|Phenyl benzyl ketone|Phenylmethyl phenyl ketone|UNII-F17V6C9PZX|a-Phenylacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044430
ERPathway2016 ERPathway2016_329 1,2-Diphenylethanone 451-40-1 DTXSID6044430 ER Pathway Model, Agonist Model Score 0.0227 Unitless O=C(CC1=CC=CC=C1)C1=CC=CC=C1 1,2-Diphenylethanone 451-40-1|1,2-Diphenylethanone|1,2-Diphenylethan-1-one|2-Phenylacetophenone|4-07-00-01393|Acetophenone, 2-phenyl-|Benzoin, deoxy-|Benzyl Phenyl Ketone|BRN 1072876|deoxybenzoin|desoxibenzoina|Desoxybenzoin|Desoxybenzoine|EINECS 207-193-2|Ethanone, 1,2-diphenyl-|NSC 131456|NSC 249236|NSC 6097|Phenyl benzyl ketone|Phenylmethyl phenyl ketone|UNII-F17V6C9PZX|a-Phenylacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044430
ERPathway2016 ERPathway2016_329 1,2-Diphenylethanone 451-40-1 DTXSID6044430 ER Pathway Model, Antagonist Model Score 0 Unitless O=C(CC1=CC=CC=C1)C1=CC=CC=C1 1,2-Diphenylethanone 451-40-1|1,2-Diphenylethanone|1,2-Diphenylethan-1-one|2-Phenylacetophenone|4-07-00-01393|Acetophenone, 2-phenyl-|Benzoin, deoxy-|Benzyl Phenyl Ketone|BRN 1072876|deoxybenzoin|desoxibenzoina|Desoxybenzoin|Desoxybenzoine|EINECS 207-193-2|Ethanone, 1,2-diphenyl-|NSC 131456|NSC 249236|NSC 6097|Phenyl benzyl ketone|Phenylmethyl phenyl ketone|UNII-F17V6C9PZX|a-Phenylacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044430
ERPathway2016 ERPathway2016_329 1,2-Diphenylethanone 451-40-1 DTXSID6044430 ER Pathway Model, Agonist Call Inactive Unitless O=C(CC1=CC=CC=C1)C1=CC=CC=C1 1,2-Diphenylethanone 451-40-1|1,2-Diphenylethanone|1,2-Diphenylethan-1-one|2-Phenylacetophenone|4-07-00-01393|Acetophenone, 2-phenyl-|Benzoin, deoxy-|Benzyl Phenyl Ketone|BRN 1072876|deoxybenzoin|desoxibenzoina|Desoxybenzoin|Desoxybenzoine|EINECS 207-193-2|Ethanone, 1,2-diphenyl-|NSC 131456|NSC 249236|NSC 6097|Phenyl benzyl ketone|Phenylmethyl phenyl ketone|UNII-F17V6C9PZX|a-Phenylacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044430
ERPathway2016 ERPathway2016_329 1,2-Diphenylethanone 451-40-1 DTXSID6044430 ER Pathway Model, Antagonist Call Active Unitless O=C(CC1=CC=CC=C1)C1=CC=CC=C1 1,2-Diphenylethanone 451-40-1|1,2-Diphenylethanone|1,2-Diphenylethan-1-one|2-Phenylacetophenone|4-07-00-01393|Acetophenone, 2-phenyl-|Benzoin, deoxy-|Benzyl Phenyl Ketone|BRN 1072876|deoxybenzoin|desoxibenzoina|Desoxybenzoin|Desoxybenzoine|EINECS 207-193-2|Ethanone, 1,2-diphenyl-|NSC 131456|NSC 249236|NSC 6097|Phenyl benzyl ketone|Phenylmethyl phenyl ketone|UNII-F17V6C9PZX|a-Phenylacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044430
ARPathway2016 ARPathway2016_703 1,2-Diphenylhydrazine 122-66-7 DTXSID7020710 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless N(NC1=CC=CC=C1)C1=CC=CC=C1 1,2-Diphenylhydrazine 122-66-7|1,2-Diphenylhydrazine|(sym)-Diphenylhydrazine|1,1'-Hydrazodibenzene|204-563-5|4-15-00-00056|Benzene, 1,1'-hydrazobis-|Benzene, hydrazodi-|BRN 0639793|Diphenylhydrazine|EC No.: 204-563-5|EINECS 204-563-5|hidrazobenceno|Hydrazine, 1,2-diphenyl-|Hydrazobenzen|Hydrazobenzene|Hydrazobenzol|N,N'-Bianiline|N,N'-Diphenylhydrazine|NSC 3510|RCRA waste number U109|Symmetrical diphenyl hydrazine|UNII-1G3CS09TUK https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020710 https://doi.org/10.22427/NTP-DATA-DTXSID7020710
ARPathway2016 ARPathway2016_703 1,2-Diphenylhydrazine 122-66-7 DTXSID7020710 0.0 AR Pathway Model, Agonist Model Score 0 Unitless N(NC1=CC=CC=C1)C1=CC=CC=C1 1,2-Diphenylhydrazine 122-66-7|1,2-Diphenylhydrazine|(sym)-Diphenylhydrazine|1,1'-Hydrazodibenzene|204-563-5|4-15-00-00056|Benzene, 1,1'-hydrazobis-|Benzene, hydrazodi-|BRN 0639793|Diphenylhydrazine|EC No.: 204-563-5|EINECS 204-563-5|hidrazobenceno|Hydrazine, 1,2-diphenyl-|Hydrazobenzen|Hydrazobenzene|Hydrazobenzol|N,N'-Bianiline|N,N'-Diphenylhydrazine|NSC 3510|RCRA waste number U109|Symmetrical diphenyl hydrazine|UNII-1G3CS09TUK https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020710 https://doi.org/10.22427/NTP-DATA-DTXSID7020710
ARPathway2016 ARPathway2016_703 1,2-Diphenylhydrazine 122-66-7 DTXSID7020710 0.0 AR Pathway Model, Agonist Call Inactive Unitless N(NC1=CC=CC=C1)C1=CC=CC=C1 1,2-Diphenylhydrazine 122-66-7|1,2-Diphenylhydrazine|(sym)-Diphenylhydrazine|1,1'-Hydrazodibenzene|204-563-5|4-15-00-00056|Benzene, 1,1'-hydrazobis-|Benzene, hydrazodi-|BRN 0639793|Diphenylhydrazine|EC No.: 204-563-5|EINECS 204-563-5|hidrazobenceno|Hydrazine, 1,2-diphenyl-|Hydrazobenzen|Hydrazobenzene|Hydrazobenzol|N,N'-Bianiline|N,N'-Diphenylhydrazine|NSC 3510|RCRA waste number U109|Symmetrical diphenyl hydrazine|UNII-1G3CS09TUK https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020710 https://doi.org/10.22427/NTP-DATA-DTXSID7020710
ARPathway2016 ARPathway2016_703 1,2-Diphenylhydrazine 122-66-7 DTXSID7020710 0.0 AR Pathway Model, Antagonist Call Inactive Unitless N(NC1=CC=CC=C1)C1=CC=CC=C1 1,2-Diphenylhydrazine 122-66-7|1,2-Diphenylhydrazine|(sym)-Diphenylhydrazine|1,1'-Hydrazodibenzene|204-563-5|4-15-00-00056|Benzene, 1,1'-hydrazobis-|Benzene, hydrazodi-|BRN 0639793|Diphenylhydrazine|EC No.: 204-563-5|EINECS 204-563-5|hidrazobenceno|Hydrazine, 1,2-diphenyl-|Hydrazobenzen|Hydrazobenzene|Hydrazobenzol|N,N'-Bianiline|N,N'-Diphenylhydrazine|NSC 3510|RCRA waste number U109|Symmetrical diphenyl hydrazine|UNII-1G3CS09TUK https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020710 https://doi.org/10.22427/NTP-DATA-DTXSID7020710
ERPathway2016 ERPathway2016_798 1,2-Diphenylhydrazine 122-66-7 DTXSID7020710 ER Pathway Model, Agonist Model Score 0 Unitless N(NC1=CC=CC=C1)C1=CC=CC=C1 1,2-Diphenylhydrazine 122-66-7|1,2-Diphenylhydrazine|(sym)-Diphenylhydrazine|1,1'-Hydrazodibenzene|204-563-5|4-15-00-00056|Benzene, 1,1'-hydrazobis-|Benzene, hydrazodi-|BRN 0639793|Diphenylhydrazine|EC No.: 204-563-5|EINECS 204-563-5|hidrazobenceno|Hydrazine, 1,2-diphenyl-|Hydrazobenzen|Hydrazobenzene|Hydrazobenzol|N,N'-Bianiline|N,N'-Diphenylhydrazine|NSC 3510|RCRA waste number U109|Symmetrical diphenyl hydrazine|UNII-1G3CS09TUK https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020710 https://doi.org/10.22427/NTP-DATA-DTXSID7020710
ERPathway2016 ERPathway2016_798 1,2-Diphenylhydrazine 122-66-7 DTXSID7020710 ER Pathway Model, Antagonist Model Score 0 Unitless N(NC1=CC=CC=C1)C1=CC=CC=C1 1,2-Diphenylhydrazine 122-66-7|1,2-Diphenylhydrazine|(sym)-Diphenylhydrazine|1,1'-Hydrazodibenzene|204-563-5|4-15-00-00056|Benzene, 1,1'-hydrazobis-|Benzene, hydrazodi-|BRN 0639793|Diphenylhydrazine|EC No.: 204-563-5|EINECS 204-563-5|hidrazobenceno|Hydrazine, 1,2-diphenyl-|Hydrazobenzen|Hydrazobenzene|Hydrazobenzol|N,N'-Bianiline|N,N'-Diphenylhydrazine|NSC 3510|RCRA waste number U109|Symmetrical diphenyl hydrazine|UNII-1G3CS09TUK https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020710 https://doi.org/10.22427/NTP-DATA-DTXSID7020710
ERPathway2016 ERPathway2016_798 1,2-Diphenylhydrazine 122-66-7 DTXSID7020710 ER Pathway Model, Agonist Call Inactive Unitless N(NC1=CC=CC=C1)C1=CC=CC=C1 1,2-Diphenylhydrazine 122-66-7|1,2-Diphenylhydrazine|(sym)-Diphenylhydrazine|1,1'-Hydrazodibenzene|204-563-5|4-15-00-00056|Benzene, 1,1'-hydrazobis-|Benzene, hydrazodi-|BRN 0639793|Diphenylhydrazine|EC No.: 204-563-5|EINECS 204-563-5|hidrazobenceno|Hydrazine, 1,2-diphenyl-|Hydrazobenzen|Hydrazobenzene|Hydrazobenzol|N,N'-Bianiline|N,N'-Diphenylhydrazine|NSC 3510|RCRA waste number U109|Symmetrical diphenyl hydrazine|UNII-1G3CS09TUK https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020710 https://doi.org/10.22427/NTP-DATA-DTXSID7020710
ERPathway2016 ERPathway2016_798 1,2-Diphenylhydrazine 122-66-7 DTXSID7020710 ER Pathway Model, Antagonist Call Inactive Unitless N(NC1=CC=CC=C1)C1=CC=CC=C1 1,2-Diphenylhydrazine 122-66-7|1,2-Diphenylhydrazine|(sym)-Diphenylhydrazine|1,1'-Hydrazodibenzene|204-563-5|4-15-00-00056|Benzene, 1,1'-hydrazobis-|Benzene, hydrazodi-|BRN 0639793|Diphenylhydrazine|EC No.: 204-563-5|EINECS 204-563-5|hidrazobenceno|Hydrazine, 1,2-diphenyl-|Hydrazobenzen|Hydrazobenzene|Hydrazobenzol|N,N'-Bianiline|N,N'-Diphenylhydrazine|NSC 3510|RCRA waste number U109|Symmetrical diphenyl hydrazine|UNII-1G3CS09TUK https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020710 https://doi.org/10.22427/NTP-DATA-DTXSID7020710
ARPathway2016 ARPathway2016_1336 1,2-Ethanediamine dihydroiodide 5700-49-2 DTXSID5044570 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless I.I.NCCN 1,2-Ethanediamine dihydroiodide 5700-49-2|1,2-Ethanediamine dihydroiodide|1,2-Ethanediamine, dihydriodide|EDDI|EINECS 227-186-8|Ethylendiamine dihydroiodide|Ethylenediamine dihydriodide|Hi-boot|Hi-O-dide|Hiamine|Hoffman bonded E-D-D iodine compound|Hy-odide|Hydriodide-boot|Hydriodide-O-dide|Hydrodine|Iod-ethamine|Jodethamine|Orgadine|UNII-721M52NQ5L|Whitmoyer ethylene diamine dihydriodide|8023-01-6|8023-45-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044570
ARPathway2016 ARPathway2016_1336 1,2-Ethanediamine dihydroiodide 5700-49-2 DTXSID5044570 0.0 AR Pathway Model, Agonist Model Score 0 Unitless I.I.NCCN 1,2-Ethanediamine dihydroiodide 5700-49-2|1,2-Ethanediamine dihydroiodide|1,2-Ethanediamine, dihydriodide|EDDI|EINECS 227-186-8|Ethylendiamine dihydroiodide|Ethylenediamine dihydriodide|Hi-boot|Hi-O-dide|Hiamine|Hoffman bonded E-D-D iodine compound|Hy-odide|Hydriodide-boot|Hydriodide-O-dide|Hydrodine|Iod-ethamine|Jodethamine|Orgadine|UNII-721M52NQ5L|Whitmoyer ethylene diamine dihydriodide|8023-01-6|8023-45-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044570
ARPathway2016 ARPathway2016_1336 1,2-Ethanediamine dihydroiodide 5700-49-2 DTXSID5044570 0.0 AR Pathway Model, Agonist Call Inactive Unitless I.I.NCCN 1,2-Ethanediamine dihydroiodide 5700-49-2|1,2-Ethanediamine dihydroiodide|1,2-Ethanediamine, dihydriodide|EDDI|EINECS 227-186-8|Ethylendiamine dihydroiodide|Ethylenediamine dihydriodide|Hi-boot|Hi-O-dide|Hiamine|Hoffman bonded E-D-D iodine compound|Hy-odide|Hydriodide-boot|Hydriodide-O-dide|Hydrodine|Iod-ethamine|Jodethamine|Orgadine|UNII-721M52NQ5L|Whitmoyer ethylene diamine dihydriodide|8023-01-6|8023-45-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044570
ARPathway2016 ARPathway2016_1336 1,2-Ethanediamine dihydroiodide 5700-49-2 DTXSID5044570 0.0 AR Pathway Model, Antagonist Call Inactive Unitless I.I.NCCN 1,2-Ethanediamine dihydroiodide 5700-49-2|1,2-Ethanediamine dihydroiodide|1,2-Ethanediamine, dihydriodide|EDDI|EINECS 227-186-8|Ethylendiamine dihydroiodide|Ethylenediamine dihydriodide|Hi-boot|Hi-O-dide|Hiamine|Hoffman bonded E-D-D iodine compound|Hy-odide|Hydriodide-boot|Hydriodide-O-dide|Hydrodine|Iod-ethamine|Jodethamine|Orgadine|UNII-721M52NQ5L|Whitmoyer ethylene diamine dihydriodide|8023-01-6|8023-45-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044570
ERPathway2016 ERPathway2016_1544 1,2-Ethanediamine dihydroiodide 5700-49-2 DTXSID5044570 ER Pathway Model, Agonist Model Score 0 Unitless I.I.NCCN 1,2-Ethanediamine dihydroiodide 5700-49-2|1,2-Ethanediamine dihydroiodide|1,2-Ethanediamine, dihydriodide|EDDI|EINECS 227-186-8|Ethylendiamine dihydroiodide|Ethylenediamine dihydriodide|Hi-boot|Hi-O-dide|Hiamine|Hoffman bonded E-D-D iodine compound|Hy-odide|Hydriodide-boot|Hydriodide-O-dide|Hydrodine|Iod-ethamine|Jodethamine|Orgadine|UNII-721M52NQ5L|Whitmoyer ethylene diamine dihydriodide|8023-01-6|8023-45-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044570
ERPathway2016 ERPathway2016_1544 1,2-Ethanediamine dihydroiodide 5700-49-2 DTXSID5044570 ER Pathway Model, Antagonist Model Score 0 Unitless I.I.NCCN 1,2-Ethanediamine dihydroiodide 5700-49-2|1,2-Ethanediamine dihydroiodide|1,2-Ethanediamine, dihydriodide|EDDI|EINECS 227-186-8|Ethylendiamine dihydroiodide|Ethylenediamine dihydriodide|Hi-boot|Hi-O-dide|Hiamine|Hoffman bonded E-D-D iodine compound|Hy-odide|Hydriodide-boot|Hydriodide-O-dide|Hydrodine|Iod-ethamine|Jodethamine|Orgadine|UNII-721M52NQ5L|Whitmoyer ethylene diamine dihydriodide|8023-01-6|8023-45-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044570
ERPathway2016 ERPathway2016_1544 1,2-Ethanediamine dihydroiodide 5700-49-2 DTXSID5044570 ER Pathway Model, Agonist Call Inactive Unitless I.I.NCCN 1,2-Ethanediamine dihydroiodide 5700-49-2|1,2-Ethanediamine dihydroiodide|1,2-Ethanediamine, dihydriodide|EDDI|EINECS 227-186-8|Ethylendiamine dihydroiodide|Ethylenediamine dihydriodide|Hi-boot|Hi-O-dide|Hiamine|Hoffman bonded E-D-D iodine compound|Hy-odide|Hydriodide-boot|Hydriodide-O-dide|Hydrodine|Iod-ethamine|Jodethamine|Orgadine|UNII-721M52NQ5L|Whitmoyer ethylene diamine dihydriodide|8023-01-6|8023-45-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044570
ERPathway2016 ERPathway2016_1544 1,2-Ethanediamine dihydroiodide 5700-49-2 DTXSID5044570 ER Pathway Model, Antagonist Call Inactive Unitless I.I.NCCN 1,2-Ethanediamine dihydroiodide 5700-49-2|1,2-Ethanediamine dihydroiodide|1,2-Ethanediamine, dihydriodide|EDDI|EINECS 227-186-8|Ethylendiamine dihydroiodide|Ethylenediamine dihydriodide|Hi-boot|Hi-O-dide|Hiamine|Hoffman bonded E-D-D iodine compound|Hy-odide|Hydriodide-boot|Hydriodide-O-dide|Hydrodine|Iod-ethamine|Jodethamine|Orgadine|UNII-721M52NQ5L|Whitmoyer ethylene diamine dihydriodide|8023-01-6|8023-45-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044570
ARPathway2016 ARPathway2016_572 1,2-Ethanediol diacetate 111-55-7 DTXSID0026880 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OCCOC(C)=O 1,2-Ethanediol diacetate 111-55-7|1,2-Ethanediol diacetate|1,2-DIACETOXYAETHAN|1,2-Diacetoxyethane|1,2-Ethanediol, 1,2-diacetate|1,2-Ethanediol, diacetate|1,2-Ethanediol,diacetate|1,2-Ethanediyl diacetate|4-02-00-00217|Aptex Donor H-plus|BRN 1762308|Di(acetate) d'ethylene|di(acetato) de etileno|DIACETATE, 1,2-ETHANEDIYL|Diacetoxyethane|EINECS 203-881-1|Ethanediol diacetate|Ethyl Glycol Diacetate|Ethylendi(acetat)|Ethylene acetate|ethylene di(acetate)|Ethylene diacetate|Ethylene diethanoate|Ethylene glycol diacetate|Ethylene glycol, diacetate|ETHYLENE-GLYCOL DIACETATE|Glycol diacetate|Novaset NH|Novaset NH Medium Hardener|NSC 8853|UNII-9E5JC3Q7WJ https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026880
ARPathway2016 ARPathway2016_572 1,2-Ethanediol diacetate 111-55-7 DTXSID0026880 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)OCCOC(C)=O 1,2-Ethanediol diacetate 111-55-7|1,2-Ethanediol diacetate|1,2-DIACETOXYAETHAN|1,2-Diacetoxyethane|1,2-Ethanediol, 1,2-diacetate|1,2-Ethanediol, diacetate|1,2-Ethanediol,diacetate|1,2-Ethanediyl diacetate|4-02-00-00217|Aptex Donor H-plus|BRN 1762308|Di(acetate) d'ethylene|di(acetato) de etileno|DIACETATE, 1,2-ETHANEDIYL|Diacetoxyethane|EINECS 203-881-1|Ethanediol diacetate|Ethyl Glycol Diacetate|Ethylendi(acetat)|Ethylene acetate|ethylene di(acetate)|Ethylene diacetate|Ethylene diethanoate|Ethylene glycol diacetate|Ethylene glycol, diacetate|ETHYLENE-GLYCOL DIACETATE|Glycol diacetate|Novaset NH|Novaset NH Medium Hardener|NSC 8853|UNII-9E5JC3Q7WJ https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026880
ARPathway2016 ARPathway2016_572 1,2-Ethanediol diacetate 111-55-7 DTXSID0026880 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)OCCOC(C)=O 1,2-Ethanediol diacetate 111-55-7|1,2-Ethanediol diacetate|1,2-DIACETOXYAETHAN|1,2-Diacetoxyethane|1,2-Ethanediol, 1,2-diacetate|1,2-Ethanediol, diacetate|1,2-Ethanediol,diacetate|1,2-Ethanediyl diacetate|4-02-00-00217|Aptex Donor H-plus|BRN 1762308|Di(acetate) d'ethylene|di(acetato) de etileno|DIACETATE, 1,2-ETHANEDIYL|Diacetoxyethane|EINECS 203-881-1|Ethanediol diacetate|Ethyl Glycol Diacetate|Ethylendi(acetat)|Ethylene acetate|ethylene di(acetate)|Ethylene diacetate|Ethylene diethanoate|Ethylene glycol diacetate|Ethylene glycol, diacetate|ETHYLENE-GLYCOL DIACETATE|Glycol diacetate|Novaset NH|Novaset NH Medium Hardener|NSC 8853|UNII-9E5JC3Q7WJ https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026880
ARPathway2016 ARPathway2016_572 1,2-Ethanediol diacetate 111-55-7 DTXSID0026880 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)OCCOC(C)=O 1,2-Ethanediol diacetate 111-55-7|1,2-Ethanediol diacetate|1,2-DIACETOXYAETHAN|1,2-Diacetoxyethane|1,2-Ethanediol, 1,2-diacetate|1,2-Ethanediol, diacetate|1,2-Ethanediol,diacetate|1,2-Ethanediyl diacetate|4-02-00-00217|Aptex Donor H-plus|BRN 1762308|Di(acetate) d'ethylene|di(acetato) de etileno|DIACETATE, 1,2-ETHANEDIYL|Diacetoxyethane|EINECS 203-881-1|Ethanediol diacetate|Ethyl Glycol Diacetate|Ethylendi(acetat)|Ethylene acetate|ethylene di(acetate)|Ethylene diacetate|Ethylene diethanoate|Ethylene glycol diacetate|Ethylene glycol, diacetate|ETHYLENE-GLYCOL DIACETATE|Glycol diacetate|Novaset NH|Novaset NH Medium Hardener|NSC 8853|UNII-9E5JC3Q7WJ https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026880
ERPathway2016 ERPathway2016_1153 1,2-Ethanediol diacetate 111-55-7 DTXSID0026880 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)OCCOC(C)=O 1,2-Ethanediol diacetate 111-55-7|1,2-Ethanediol diacetate|1,2-DIACETOXYAETHAN|1,2-Diacetoxyethane|1,2-Ethanediol, 1,2-diacetate|1,2-Ethanediol, diacetate|1,2-Ethanediol,diacetate|1,2-Ethanediyl diacetate|4-02-00-00217|Aptex Donor H-plus|BRN 1762308|Di(acetate) d'ethylene|di(acetato) de etileno|DIACETATE, 1,2-ETHANEDIYL|Diacetoxyethane|EINECS 203-881-1|Ethanediol diacetate|Ethyl Glycol Diacetate|Ethylendi(acetat)|Ethylene acetate|ethylene di(acetate)|Ethylene diacetate|Ethylene diethanoate|Ethylene glycol diacetate|Ethylene glycol, diacetate|ETHYLENE-GLYCOL DIACETATE|Glycol diacetate|Novaset NH|Novaset NH Medium Hardener|NSC 8853|UNII-9E5JC3Q7WJ https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026880
ERPathway2016 ERPathway2016_1153 1,2-Ethanediol diacetate 111-55-7 DTXSID0026880 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OCCOC(C)=O 1,2-Ethanediol diacetate 111-55-7|1,2-Ethanediol diacetate|1,2-DIACETOXYAETHAN|1,2-Diacetoxyethane|1,2-Ethanediol, 1,2-diacetate|1,2-Ethanediol, diacetate|1,2-Ethanediol,diacetate|1,2-Ethanediyl diacetate|4-02-00-00217|Aptex Donor H-plus|BRN 1762308|Di(acetate) d'ethylene|di(acetato) de etileno|DIACETATE, 1,2-ETHANEDIYL|Diacetoxyethane|EINECS 203-881-1|Ethanediol diacetate|Ethyl Glycol Diacetate|Ethylendi(acetat)|Ethylene acetate|ethylene di(acetate)|Ethylene diacetate|Ethylene diethanoate|Ethylene glycol diacetate|Ethylene glycol, diacetate|ETHYLENE-GLYCOL DIACETATE|Glycol diacetate|Novaset NH|Novaset NH Medium Hardener|NSC 8853|UNII-9E5JC3Q7WJ https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026880
ERPathway2016 ERPathway2016_1153 1,2-Ethanediol diacetate 111-55-7 DTXSID0026880 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)OCCOC(C)=O 1,2-Ethanediol diacetate 111-55-7|1,2-Ethanediol diacetate|1,2-DIACETOXYAETHAN|1,2-Diacetoxyethane|1,2-Ethanediol, 1,2-diacetate|1,2-Ethanediol, diacetate|1,2-Ethanediol,diacetate|1,2-Ethanediyl diacetate|4-02-00-00217|Aptex Donor H-plus|BRN 1762308|Di(acetate) d'ethylene|di(acetato) de etileno|DIACETATE, 1,2-ETHANEDIYL|Diacetoxyethane|EINECS 203-881-1|Ethanediol diacetate|Ethyl Glycol Diacetate|Ethylendi(acetat)|Ethylene acetate|ethylene di(acetate)|Ethylene diacetate|Ethylene diethanoate|Ethylene glycol diacetate|Ethylene glycol, diacetate|ETHYLENE-GLYCOL DIACETATE|Glycol diacetate|Novaset NH|Novaset NH Medium Hardener|NSC 8853|UNII-9E5JC3Q7WJ https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026880
ERPathway2016 ERPathway2016_1153 1,2-Ethanediol diacetate 111-55-7 DTXSID0026880 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)OCCOC(C)=O 1,2-Ethanediol diacetate 111-55-7|1,2-Ethanediol diacetate|1,2-DIACETOXYAETHAN|1,2-Diacetoxyethane|1,2-Ethanediol, 1,2-diacetate|1,2-Ethanediol, diacetate|1,2-Ethanediol,diacetate|1,2-Ethanediyl diacetate|4-02-00-00217|Aptex Donor H-plus|BRN 1762308|Di(acetate) d'ethylene|di(acetato) de etileno|DIACETATE, 1,2-ETHANEDIYL|Diacetoxyethane|EINECS 203-881-1|Ethanediol diacetate|Ethyl Glycol Diacetate|Ethylendi(acetat)|Ethylene acetate|ethylene di(acetate)|Ethylene diacetate|Ethylene diethanoate|Ethylene glycol diacetate|Ethylene glycol, diacetate|ETHYLENE-GLYCOL DIACETATE|Glycol diacetate|Novaset NH|Novaset NH Medium Hardener|NSC 8853|UNII-9E5JC3Q7WJ https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026880
ARPathway2016 ARPathway2016_1762 1,2-Phenylenediamine 95-54-5 DTXSID3025881 0.0 A1 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=C(N)C=CC=C1 1,2-Phenylenediamine 95-54-5|1,2-Phenylenediamine|1,2-Benzenediamine|1,2-Diaminobenzene|1,2-Fenylendiamin|1,2-PHENYLENDIAMIN|2-Aminoaniline|2-Phenylene diamine|4-13-00-00038|BRN 0606074|C.I. Oxidation Base 16|CI Oxidation Base 16|EINECS 202-430-6|NSC 5354|o-Aminoaniline|o-Aminophenylamine|o-Benzenediamine|o-Diaminobenzene|o-fenilendiamina|o-Fenylendiamin|o-Phenylendiamin|o-Phenylenediamine|o-Phenylenediamine and its salts|OPDA|Orthamine|PHENYLENE-1,2-DIAMINE|phenylene-1,2-dimaine|Phenylenediamine, ortho-|UNII-8B713N8Q0F https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025881 https://doi.org/10.22427/NTP-DATA-DTXSID3025881
ARPathway2016 ARPathway2016_1762 1,2-Phenylenediamine 95-54-5 DTXSID3025881 0.0 A1 AR Pathway Model, Agonist Model Score 0 Unitless NC1=C(N)C=CC=C1 1,2-Phenylenediamine 95-54-5|1,2-Phenylenediamine|1,2-Benzenediamine|1,2-Diaminobenzene|1,2-Fenylendiamin|1,2-PHENYLENDIAMIN|2-Aminoaniline|2-Phenylene diamine|4-13-00-00038|BRN 0606074|C.I. Oxidation Base 16|CI Oxidation Base 16|EINECS 202-430-6|NSC 5354|o-Aminoaniline|o-Aminophenylamine|o-Benzenediamine|o-Diaminobenzene|o-fenilendiamina|o-Fenylendiamin|o-Phenylendiamin|o-Phenylenediamine|o-Phenylenediamine and its salts|OPDA|Orthamine|PHENYLENE-1,2-DIAMINE|phenylene-1,2-dimaine|Phenylenediamine, ortho-|UNII-8B713N8Q0F https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025881 https://doi.org/10.22427/NTP-DATA-DTXSID3025881
ARPathway2016 ARPathway2016_1762 1,2-Phenylenediamine 95-54-5 DTXSID3025881 0.0 A1 AR Pathway Model, Agonist Call Inactive Unitless NC1=C(N)C=CC=C1 1,2-Phenylenediamine 95-54-5|1,2-Phenylenediamine|1,2-Benzenediamine|1,2-Diaminobenzene|1,2-Fenylendiamin|1,2-PHENYLENDIAMIN|2-Aminoaniline|2-Phenylene diamine|4-13-00-00038|BRN 0606074|C.I. Oxidation Base 16|CI Oxidation Base 16|EINECS 202-430-6|NSC 5354|o-Aminoaniline|o-Aminophenylamine|o-Benzenediamine|o-Diaminobenzene|o-fenilendiamina|o-Fenylendiamin|o-Phenylendiamin|o-Phenylenediamine|o-Phenylenediamine and its salts|OPDA|Orthamine|PHENYLENE-1,2-DIAMINE|phenylene-1,2-dimaine|Phenylenediamine, ortho-|UNII-8B713N8Q0F https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025881 https://doi.org/10.22427/NTP-DATA-DTXSID3025881
ARPathway2016 ARPathway2016_1762 1,2-Phenylenediamine 95-54-5 DTXSID3025881 0.0 A1 AR Pathway Model, Antagonist Call Inactive Unitless NC1=C(N)C=CC=C1 1,2-Phenylenediamine 95-54-5|1,2-Phenylenediamine|1,2-Benzenediamine|1,2-Diaminobenzene|1,2-Fenylendiamin|1,2-PHENYLENDIAMIN|2-Aminoaniline|2-Phenylene diamine|4-13-00-00038|BRN 0606074|C.I. Oxidation Base 16|CI Oxidation Base 16|EINECS 202-430-6|NSC 5354|o-Aminoaniline|o-Aminophenylamine|o-Benzenediamine|o-Diaminobenzene|o-fenilendiamina|o-Fenylendiamin|o-Phenylendiamin|o-Phenylenediamine|o-Phenylenediamine and its salts|OPDA|Orthamine|PHENYLENE-1,2-DIAMINE|phenylene-1,2-dimaine|Phenylenediamine, ortho-|UNII-8B713N8Q0F https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025881 https://doi.org/10.22427/NTP-DATA-DTXSID3025881
ERPathway2016 ERPathway2016_1768 1,2-Phenylenediamine 95-54-5 DTXSID3025881 ER Pathway Model, Agonist Model Score 0 Unitless NC1=C(N)C=CC=C1 1,2-Phenylenediamine 95-54-5|1,2-Phenylenediamine|1,2-Benzenediamine|1,2-Diaminobenzene|1,2-Fenylendiamin|1,2-PHENYLENDIAMIN|2-Aminoaniline|2-Phenylene diamine|4-13-00-00038|BRN 0606074|C.I. Oxidation Base 16|CI Oxidation Base 16|EINECS 202-430-6|NSC 5354|o-Aminoaniline|o-Aminophenylamine|o-Benzenediamine|o-Diaminobenzene|o-fenilendiamina|o-Fenylendiamin|o-Phenylendiamin|o-Phenylenediamine|o-Phenylenediamine and its salts|OPDA|Orthamine|PHENYLENE-1,2-DIAMINE|phenylene-1,2-dimaine|Phenylenediamine, ortho-|UNII-8B713N8Q0F https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025881 https://doi.org/10.22427/NTP-DATA-DTXSID3025881
ERPathway2016 ERPathway2016_1768 1,2-Phenylenediamine 95-54-5 DTXSID3025881 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=C(N)C=CC=C1 1,2-Phenylenediamine 95-54-5|1,2-Phenylenediamine|1,2-Benzenediamine|1,2-Diaminobenzene|1,2-Fenylendiamin|1,2-PHENYLENDIAMIN|2-Aminoaniline|2-Phenylene diamine|4-13-00-00038|BRN 0606074|C.I. Oxidation Base 16|CI Oxidation Base 16|EINECS 202-430-6|NSC 5354|o-Aminoaniline|o-Aminophenylamine|o-Benzenediamine|o-Diaminobenzene|o-fenilendiamina|o-Fenylendiamin|o-Phenylendiamin|o-Phenylenediamine|o-Phenylenediamine and its salts|OPDA|Orthamine|PHENYLENE-1,2-DIAMINE|phenylene-1,2-dimaine|Phenylenediamine, ortho-|UNII-8B713N8Q0F https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025881 https://doi.org/10.22427/NTP-DATA-DTXSID3025881
ERPathway2016 ERPathway2016_1768 1,2-Phenylenediamine 95-54-5 DTXSID3025881 ER Pathway Model, Agonist Call Inactive Unitless NC1=C(N)C=CC=C1 1,2-Phenylenediamine 95-54-5|1,2-Phenylenediamine|1,2-Benzenediamine|1,2-Diaminobenzene|1,2-Fenylendiamin|1,2-PHENYLENDIAMIN|2-Aminoaniline|2-Phenylene diamine|4-13-00-00038|BRN 0606074|C.I. Oxidation Base 16|CI Oxidation Base 16|EINECS 202-430-6|NSC 5354|o-Aminoaniline|o-Aminophenylamine|o-Benzenediamine|o-Diaminobenzene|o-fenilendiamina|o-Fenylendiamin|o-Phenylendiamin|o-Phenylenediamine|o-Phenylenediamine and its salts|OPDA|Orthamine|PHENYLENE-1,2-DIAMINE|phenylene-1,2-dimaine|Phenylenediamine, ortho-|UNII-8B713N8Q0F https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025881 https://doi.org/10.22427/NTP-DATA-DTXSID3025881
ERPathway2016 ERPathway2016_1768 1,2-Phenylenediamine 95-54-5 DTXSID3025881 ER Pathway Model, Antagonist Call Inactive Unitless NC1=C(N)C=CC=C1 1,2-Phenylenediamine 95-54-5|1,2-Phenylenediamine|1,2-Benzenediamine|1,2-Diaminobenzene|1,2-Fenylendiamin|1,2-PHENYLENDIAMIN|2-Aminoaniline|2-Phenylene diamine|4-13-00-00038|BRN 0606074|C.I. Oxidation Base 16|CI Oxidation Base 16|EINECS 202-430-6|NSC 5354|o-Aminoaniline|o-Aminophenylamine|o-Benzenediamine|o-Diaminobenzene|o-fenilendiamina|o-Fenylendiamin|o-Phenylendiamin|o-Phenylenediamine|o-Phenylenediamine and its salts|OPDA|Orthamine|PHENYLENE-1,2-DIAMINE|phenylene-1,2-dimaine|Phenylenediamine, ortho-|UNII-8B713N8Q0F https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025881 https://doi.org/10.22427/NTP-DATA-DTXSID3025881
ARPathway2016 ARPathway2016_1114 1,2-Propanediol monobutyl ether 29387-86-8 DTXSID6029755 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless 1,2-Propanediol monobutyl ether 29387-86-8|1,2-Propanediol monobutyl ether|1-Butoxy-2-hydroxypropane|1,2-Propanediol, monobutyl ether|1(or 2)-Butoxypropanol|Acrosolv PnB|alpha-Propylene mono-n-butyl ether|Arcosolv PNB|BFDG|butoksipropanoli|butossipropanolo|butoxipropan-1-ol|butoxipropanol|butoxypropane-1-ol|Butoxypropanol|Butyl Propasol|DBG|Dowanol PnB|EINECS 249-598-7|Propanol, 1(or 2) - butoxy-|Propanol, butoxy-|Propasol B|Propylene glycol butoxy ether|Propylene glycol monobutyl ether|Propylene glycol n-butyl ether|Propyleneglycol butyl ether|UNII-6X8776AP5Z|114663-40-0|1146633-40-0|36495-80-4|39332-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6029755
ARPathway2016 ARPathway2016_1114 1,2-Propanediol monobutyl ether 29387-86-8 DTXSID6029755 0.0 AR Pathway Model, Agonist Model Score 0 Unitless 1,2-Propanediol monobutyl ether 29387-86-8|1,2-Propanediol monobutyl ether|1-Butoxy-2-hydroxypropane|1,2-Propanediol, monobutyl ether|1(or 2)-Butoxypropanol|Acrosolv PnB|alpha-Propylene mono-n-butyl ether|Arcosolv PNB|BFDG|butoksipropanoli|butossipropanolo|butoxipropan-1-ol|butoxipropanol|butoxypropane-1-ol|Butoxypropanol|Butyl Propasol|DBG|Dowanol PnB|EINECS 249-598-7|Propanol, 1(or 2) - butoxy-|Propanol, butoxy-|Propasol B|Propylene glycol butoxy ether|Propylene glycol monobutyl ether|Propylene glycol n-butyl ether|Propyleneglycol butyl ether|UNII-6X8776AP5Z|114663-40-0|1146633-40-0|36495-80-4|39332-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6029755
ARPathway2016 ARPathway2016_1114 1,2-Propanediol monobutyl ether 29387-86-8 DTXSID6029755 0.0 AR Pathway Model, Agonist Call Inactive Unitless 1,2-Propanediol monobutyl ether 29387-86-8|1,2-Propanediol monobutyl ether|1-Butoxy-2-hydroxypropane|1,2-Propanediol, monobutyl ether|1(or 2)-Butoxypropanol|Acrosolv PnB|alpha-Propylene mono-n-butyl ether|Arcosolv PNB|BFDG|butoksipropanoli|butossipropanolo|butoxipropan-1-ol|butoxipropanol|butoxypropane-1-ol|Butoxypropanol|Butyl Propasol|DBG|Dowanol PnB|EINECS 249-598-7|Propanol, 1(or 2) - butoxy-|Propanol, butoxy-|Propasol B|Propylene glycol butoxy ether|Propylene glycol monobutyl ether|Propylene glycol n-butyl ether|Propyleneglycol butyl ether|UNII-6X8776AP5Z|114663-40-0|1146633-40-0|36495-80-4|39332-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6029755
ARPathway2016 ARPathway2016_1114 1,2-Propanediol monobutyl ether 29387-86-8 DTXSID6029755 0.0 AR Pathway Model, Antagonist Call Inactive Unitless 1,2-Propanediol monobutyl ether 29387-86-8|1,2-Propanediol monobutyl ether|1-Butoxy-2-hydroxypropane|1,2-Propanediol, monobutyl ether|1(or 2)-Butoxypropanol|Acrosolv PnB|alpha-Propylene mono-n-butyl ether|Arcosolv PNB|BFDG|butoksipropanoli|butossipropanolo|butoxipropan-1-ol|butoxipropanol|butoxypropane-1-ol|Butoxypropanol|Butyl Propasol|DBG|Dowanol PnB|EINECS 249-598-7|Propanol, 1(or 2) - butoxy-|Propanol, butoxy-|Propasol B|Propylene glycol butoxy ether|Propylene glycol monobutyl ether|Propylene glycol n-butyl ether|Propyleneglycol butyl ether|UNII-6X8776AP5Z|114663-40-0|1146633-40-0|36495-80-4|39332-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6029755
ERPathway2016 ERPathway2016_1434 1,2-Propanediol monobutyl ether 29387-86-8 DTXSID6029755 ER Pathway Model, Agonist Model Score 0 Unitless 1,2-Propanediol monobutyl ether 29387-86-8|1,2-Propanediol monobutyl ether|1-Butoxy-2-hydroxypropane|1,2-Propanediol, monobutyl ether|1(or 2)-Butoxypropanol|Acrosolv PnB|alpha-Propylene mono-n-butyl ether|Arcosolv PNB|BFDG|butoksipropanoli|butossipropanolo|butoxipropan-1-ol|butoxipropanol|butoxypropane-1-ol|Butoxypropanol|Butyl Propasol|DBG|Dowanol PnB|EINECS 249-598-7|Propanol, 1(or 2) - butoxy-|Propanol, butoxy-|Propasol B|Propylene glycol butoxy ether|Propylene glycol monobutyl ether|Propylene glycol n-butyl ether|Propyleneglycol butyl ether|UNII-6X8776AP5Z|114663-40-0|1146633-40-0|36495-80-4|39332-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6029755
ERPathway2016 ERPathway2016_1434 1,2-Propanediol monobutyl ether 29387-86-8 DTXSID6029755 ER Pathway Model, Antagonist Model Score 0 Unitless 1,2-Propanediol monobutyl ether 29387-86-8|1,2-Propanediol monobutyl ether|1-Butoxy-2-hydroxypropane|1,2-Propanediol, monobutyl ether|1(or 2)-Butoxypropanol|Acrosolv PnB|alpha-Propylene mono-n-butyl ether|Arcosolv PNB|BFDG|butoksipropanoli|butossipropanolo|butoxipropan-1-ol|butoxipropanol|butoxypropane-1-ol|Butoxypropanol|Butyl Propasol|DBG|Dowanol PnB|EINECS 249-598-7|Propanol, 1(or 2) - butoxy-|Propanol, butoxy-|Propasol B|Propylene glycol butoxy ether|Propylene glycol monobutyl ether|Propylene glycol n-butyl ether|Propyleneglycol butyl ether|UNII-6X8776AP5Z|114663-40-0|1146633-40-0|36495-80-4|39332-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6029755
ERPathway2016 ERPathway2016_1434 1,2-Propanediol monobutyl ether 29387-86-8 DTXSID6029755 ER Pathway Model, Agonist Call Inactive Unitless 1,2-Propanediol monobutyl ether 29387-86-8|1,2-Propanediol monobutyl ether|1-Butoxy-2-hydroxypropane|1,2-Propanediol, monobutyl ether|1(or 2)-Butoxypropanol|Acrosolv PnB|alpha-Propylene mono-n-butyl ether|Arcosolv PNB|BFDG|butoksipropanoli|butossipropanolo|butoxipropan-1-ol|butoxipropanol|butoxypropane-1-ol|Butoxypropanol|Butyl Propasol|DBG|Dowanol PnB|EINECS 249-598-7|Propanol, 1(or 2) - butoxy-|Propanol, butoxy-|Propasol B|Propylene glycol butoxy ether|Propylene glycol monobutyl ether|Propylene glycol n-butyl ether|Propyleneglycol butyl ether|UNII-6X8776AP5Z|114663-40-0|1146633-40-0|36495-80-4|39332-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6029755
ERPathway2016 ERPathway2016_1434 1,2-Propanediol monobutyl ether 29387-86-8 DTXSID6029755 ER Pathway Model, Antagonist Call Inactive Unitless 1,2-Propanediol monobutyl ether 29387-86-8|1,2-Propanediol monobutyl ether|1-Butoxy-2-hydroxypropane|1,2-Propanediol, monobutyl ether|1(or 2)-Butoxypropanol|Acrosolv PnB|alpha-Propylene mono-n-butyl ether|Arcosolv PNB|BFDG|butoksipropanoli|butossipropanolo|butoxipropan-1-ol|butoxipropanol|butoxypropane-1-ol|Butoxypropanol|Butyl Propasol|DBG|Dowanol PnB|EINECS 249-598-7|Propanol, 1(or 2) - butoxy-|Propanol, butoxy-|Propasol B|Propylene glycol butoxy ether|Propylene glycol monobutyl ether|Propylene glycol n-butyl ether|Propyleneglycol butyl ether|UNII-6X8776AP5Z|114663-40-0|1146633-40-0|36495-80-4|39332-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6029755
ARPathway2016 ARPathway2016_1346 1,2-Propylene glycol 57-55-6 DTXSID0021206 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(O)CO 1,2-Propylene glycol 57-55-6|1,2-Propylene glycol|(.+-.)-1,2-Propanediol|(.+-.)-Propylene glycol|(+-)-1,2-Propanediol|(+-)-Propylene glycol|(+/-) 1,2-Propanediol|(RS)-1,2-Propanediol|1,2-(RS)-Propanediol|1,2-DIHYDROXYPROPANE|1,2-PROPANDIOL|1,2-Propanediol|1,2-PROPYLENEGLYCOL|1,2-Propylenglykol|2-Hydroxypropanol|2,3-Propanediol|3-01-00-02142|a-Propylene glycol|Adeka PG|Adeka Propylene Glycol PG-P|Aliphatic alcohol|All purpose lubricant|alpha-Propylene glycol|alpha-propyleneglycol|BRN 1340498|Caswell No. 713|CH3CH(OH)CH2OH|Chilisa FE|DL-1,2-Propanediol|dl-Propylene glycol|Dowfrost|EINECS 200-338-0|EPA Pesticide Chemical Code 068603|FEMA No. 2940|General lube|Glycol|HOCH2CH(OH)CH3|HOCH2CH(OH)Me|Ilexan P|Inhibited 1,2-propylene glycol|Isopropylene glycol|MeCH(OH)CH2OH|Methyl ethylene glycol|methyl glycol|Methylethyl glycol|Methylethylene glycol|MONO PROPYLENE GLYCOL|Monopropylene glycol|NSC 69860|POLYESTER OF 1,2-PROPANEDIOL|PPD|Prolugen|Propan-1,2-diol|Propane-1,2-diol|Propanediol|propano-1,2-diol|PROPYLENE GLYCOL|Propylene glycol usp|PROPYLENE, GLYCOL|Propylen|1194046-20-2|190913-75-8|4254-16-4|63625-56-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021206 https://doi.org/10.22427/NTP-DATA-DTXSID0021206
ARPathway2016 ARPathway2016_1346 1,2-Propylene glycol 57-55-6 DTXSID0021206 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(O)CO 1,2-Propylene glycol 57-55-6|1,2-Propylene glycol|(.+-.)-1,2-Propanediol|(.+-.)-Propylene glycol|(+-)-1,2-Propanediol|(+-)-Propylene glycol|(+/-) 1,2-Propanediol|(RS)-1,2-Propanediol|1,2-(RS)-Propanediol|1,2-DIHYDROXYPROPANE|1,2-PROPANDIOL|1,2-Propanediol|1,2-PROPYLENEGLYCOL|1,2-Propylenglykol|2-Hydroxypropanol|2,3-Propanediol|3-01-00-02142|a-Propylene glycol|Adeka PG|Adeka Propylene Glycol PG-P|Aliphatic alcohol|All purpose lubricant|alpha-Propylene glycol|alpha-propyleneglycol|BRN 1340498|Caswell No. 713|CH3CH(OH)CH2OH|Chilisa FE|DL-1,2-Propanediol|dl-Propylene glycol|Dowfrost|EINECS 200-338-0|EPA Pesticide Chemical Code 068603|FEMA No. 2940|General lube|Glycol|HOCH2CH(OH)CH3|HOCH2CH(OH)Me|Ilexan P|Inhibited 1,2-propylene glycol|Isopropylene glycol|MeCH(OH)CH2OH|Methyl ethylene glycol|methyl glycol|Methylethyl glycol|Methylethylene glycol|MONO PROPYLENE GLYCOL|Monopropylene glycol|NSC 69860|POLYESTER OF 1,2-PROPANEDIOL|PPD|Prolugen|Propan-1,2-diol|Propane-1,2-diol|Propanediol|propano-1,2-diol|PROPYLENE GLYCOL|Propylene glycol usp|PROPYLENE, GLYCOL|Propylen|1194046-20-2|190913-75-8|4254-16-4|63625-56-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021206 https://doi.org/10.22427/NTP-DATA-DTXSID0021206
ARPathway2016 ARPathway2016_1346 1,2-Propylene glycol 57-55-6 DTXSID0021206 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(O)CO 1,2-Propylene glycol 57-55-6|1,2-Propylene glycol|(.+-.)-1,2-Propanediol|(.+-.)-Propylene glycol|(+-)-1,2-Propanediol|(+-)-Propylene glycol|(+/-) 1,2-Propanediol|(RS)-1,2-Propanediol|1,2-(RS)-Propanediol|1,2-DIHYDROXYPROPANE|1,2-PROPANDIOL|1,2-Propanediol|1,2-PROPYLENEGLYCOL|1,2-Propylenglykol|2-Hydroxypropanol|2,3-Propanediol|3-01-00-02142|a-Propylene glycol|Adeka PG|Adeka Propylene Glycol PG-P|Aliphatic alcohol|All purpose lubricant|alpha-Propylene glycol|alpha-propyleneglycol|BRN 1340498|Caswell No. 713|CH3CH(OH)CH2OH|Chilisa FE|DL-1,2-Propanediol|dl-Propylene glycol|Dowfrost|EINECS 200-338-0|EPA Pesticide Chemical Code 068603|FEMA No. 2940|General lube|Glycol|HOCH2CH(OH)CH3|HOCH2CH(OH)Me|Ilexan P|Inhibited 1,2-propylene glycol|Isopropylene glycol|MeCH(OH)CH2OH|Methyl ethylene glycol|methyl glycol|Methylethyl glycol|Methylethylene glycol|MONO PROPYLENE GLYCOL|Monopropylene glycol|NSC 69860|POLYESTER OF 1,2-PROPANEDIOL|PPD|Prolugen|Propan-1,2-diol|Propane-1,2-diol|Propanediol|propano-1,2-diol|PROPYLENE GLYCOL|Propylene glycol usp|PROPYLENE, GLYCOL|Propylen|1194046-20-2|190913-75-8|4254-16-4|63625-56-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021206 https://doi.org/10.22427/NTP-DATA-DTXSID0021206
ARPathway2016 ARPathway2016_1346 1,2-Propylene glycol 57-55-6 DTXSID0021206 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(O)CO 1,2-Propylene glycol 57-55-6|1,2-Propylene glycol|(.+-.)-1,2-Propanediol|(.+-.)-Propylene glycol|(+-)-1,2-Propanediol|(+-)-Propylene glycol|(+/-) 1,2-Propanediol|(RS)-1,2-Propanediol|1,2-(RS)-Propanediol|1,2-DIHYDROXYPROPANE|1,2-PROPANDIOL|1,2-Propanediol|1,2-PROPYLENEGLYCOL|1,2-Propylenglykol|2-Hydroxypropanol|2,3-Propanediol|3-01-00-02142|a-Propylene glycol|Adeka PG|Adeka Propylene Glycol PG-P|Aliphatic alcohol|All purpose lubricant|alpha-Propylene glycol|alpha-propyleneglycol|BRN 1340498|Caswell No. 713|CH3CH(OH)CH2OH|Chilisa FE|DL-1,2-Propanediol|dl-Propylene glycol|Dowfrost|EINECS 200-338-0|EPA Pesticide Chemical Code 068603|FEMA No. 2940|General lube|Glycol|HOCH2CH(OH)CH3|HOCH2CH(OH)Me|Ilexan P|Inhibited 1,2-propylene glycol|Isopropylene glycol|MeCH(OH)CH2OH|Methyl ethylene glycol|methyl glycol|Methylethyl glycol|Methylethylene glycol|MONO PROPYLENE GLYCOL|Monopropylene glycol|NSC 69860|POLYESTER OF 1,2-PROPANEDIOL|PPD|Prolugen|Propan-1,2-diol|Propane-1,2-diol|Propanediol|propano-1,2-diol|PROPYLENE GLYCOL|Propylene glycol usp|PROPYLENE, GLYCOL|Propylen|1194046-20-2|190913-75-8|4254-16-4|63625-56-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021206 https://doi.org/10.22427/NTP-DATA-DTXSID0021206
ERPathway2016 ERPathway2016_1551 1,2-Propylene glycol 57-55-6 DTXSID0021206 ER Pathway Model, Agonist Model Score 0 Unitless CC(O)CO 1,2-Propylene glycol 57-55-6|1,2-Propylene glycol|(.+-.)-1,2-Propanediol|(.+-.)-Propylene glycol|(+-)-1,2-Propanediol|(+-)-Propylene glycol|(+/-) 1,2-Propanediol|(RS)-1,2-Propanediol|1,2-(RS)-Propanediol|1,2-DIHYDROXYPROPANE|1,2-PROPANDIOL|1,2-Propanediol|1,2-PROPYLENEGLYCOL|1,2-Propylenglykol|2-Hydroxypropanol|2,3-Propanediol|3-01-00-02142|a-Propylene glycol|Adeka PG|Adeka Propylene Glycol PG-P|Aliphatic alcohol|All purpose lubricant|alpha-Propylene glycol|alpha-propyleneglycol|BRN 1340498|Caswell No. 713|CH3CH(OH)CH2OH|Chilisa FE|DL-1,2-Propanediol|dl-Propylene glycol|Dowfrost|EINECS 200-338-0|EPA Pesticide Chemical Code 068603|FEMA No. 2940|General lube|Glycol|HOCH2CH(OH)CH3|HOCH2CH(OH)Me|Ilexan P|Inhibited 1,2-propylene glycol|Isopropylene glycol|MeCH(OH)CH2OH|Methyl ethylene glycol|methyl glycol|Methylethyl glycol|Methylethylene glycol|MONO PROPYLENE GLYCOL|Monopropylene glycol|NSC 69860|POLYESTER OF 1,2-PROPANEDIOL|PPD|Prolugen|Propan-1,2-diol|Propane-1,2-diol|Propanediol|propano-1,2-diol|PROPYLENE GLYCOL|Propylene glycol usp|PROPYLENE, GLYCOL|Propylen|1194046-20-2|190913-75-8|4254-16-4|63625-56-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021206 https://doi.org/10.22427/NTP-DATA-DTXSID0021206
ERPathway2016 ERPathway2016_1551 1,2-Propylene glycol 57-55-6 DTXSID0021206 ER Pathway Model, Antagonist Model Score 0 Unitless CC(O)CO 1,2-Propylene glycol 57-55-6|1,2-Propylene glycol|(.+-.)-1,2-Propanediol|(.+-.)-Propylene glycol|(+-)-1,2-Propanediol|(+-)-Propylene glycol|(+/-) 1,2-Propanediol|(RS)-1,2-Propanediol|1,2-(RS)-Propanediol|1,2-DIHYDROXYPROPANE|1,2-PROPANDIOL|1,2-Propanediol|1,2-PROPYLENEGLYCOL|1,2-Propylenglykol|2-Hydroxypropanol|2,3-Propanediol|3-01-00-02142|a-Propylene glycol|Adeka PG|Adeka Propylene Glycol PG-P|Aliphatic alcohol|All purpose lubricant|alpha-Propylene glycol|alpha-propyleneglycol|BRN 1340498|Caswell No. 713|CH3CH(OH)CH2OH|Chilisa FE|DL-1,2-Propanediol|dl-Propylene glycol|Dowfrost|EINECS 200-338-0|EPA Pesticide Chemical Code 068603|FEMA No. 2940|General lube|Glycol|HOCH2CH(OH)CH3|HOCH2CH(OH)Me|Ilexan P|Inhibited 1,2-propylene glycol|Isopropylene glycol|MeCH(OH)CH2OH|Methyl ethylene glycol|methyl glycol|Methylethyl glycol|Methylethylene glycol|MONO PROPYLENE GLYCOL|Monopropylene glycol|NSC 69860|POLYESTER OF 1,2-PROPANEDIOL|PPD|Prolugen|Propan-1,2-diol|Propane-1,2-diol|Propanediol|propano-1,2-diol|PROPYLENE GLYCOL|Propylene glycol usp|PROPYLENE, GLYCOL|Propylen|1194046-20-2|190913-75-8|4254-16-4|63625-56-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021206 https://doi.org/10.22427/NTP-DATA-DTXSID0021206
ERPathway2016 ERPathway2016_1551 1,2-Propylene glycol 57-55-6 DTXSID0021206 ER Pathway Model, Agonist Call Inactive Unitless CC(O)CO 1,2-Propylene glycol 57-55-6|1,2-Propylene glycol|(.+-.)-1,2-Propanediol|(.+-.)-Propylene glycol|(+-)-1,2-Propanediol|(+-)-Propylene glycol|(+/-) 1,2-Propanediol|(RS)-1,2-Propanediol|1,2-(RS)-Propanediol|1,2-DIHYDROXYPROPANE|1,2-PROPANDIOL|1,2-Propanediol|1,2-PROPYLENEGLYCOL|1,2-Propylenglykol|2-Hydroxypropanol|2,3-Propanediol|3-01-00-02142|a-Propylene glycol|Adeka PG|Adeka Propylene Glycol PG-P|Aliphatic alcohol|All purpose lubricant|alpha-Propylene glycol|alpha-propyleneglycol|BRN 1340498|Caswell No. 713|CH3CH(OH)CH2OH|Chilisa FE|DL-1,2-Propanediol|dl-Propylene glycol|Dowfrost|EINECS 200-338-0|EPA Pesticide Chemical Code 068603|FEMA No. 2940|General lube|Glycol|HOCH2CH(OH)CH3|HOCH2CH(OH)Me|Ilexan P|Inhibited 1,2-propylene glycol|Isopropylene glycol|MeCH(OH)CH2OH|Methyl ethylene glycol|methyl glycol|Methylethyl glycol|Methylethylene glycol|MONO PROPYLENE GLYCOL|Monopropylene glycol|NSC 69860|POLYESTER OF 1,2-PROPANEDIOL|PPD|Prolugen|Propan-1,2-diol|Propane-1,2-diol|Propanediol|propano-1,2-diol|PROPYLENE GLYCOL|Propylene glycol usp|PROPYLENE, GLYCOL|Propylen|1194046-20-2|190913-75-8|4254-16-4|63625-56-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021206 https://doi.org/10.22427/NTP-DATA-DTXSID0021206
ERPathway2016 ERPathway2016_1551 1,2-Propylene glycol 57-55-6 DTXSID0021206 ER Pathway Model, Antagonist Call Inactive Unitless CC(O)CO 1,2-Propylene glycol 57-55-6|1,2-Propylene glycol|(.+-.)-1,2-Propanediol|(.+-.)-Propylene glycol|(+-)-1,2-Propanediol|(+-)-Propylene glycol|(+/-) 1,2-Propanediol|(RS)-1,2-Propanediol|1,2-(RS)-Propanediol|1,2-DIHYDROXYPROPANE|1,2-PROPANDIOL|1,2-Propanediol|1,2-PROPYLENEGLYCOL|1,2-Propylenglykol|2-Hydroxypropanol|2,3-Propanediol|3-01-00-02142|a-Propylene glycol|Adeka PG|Adeka Propylene Glycol PG-P|Aliphatic alcohol|All purpose lubricant|alpha-Propylene glycol|alpha-propyleneglycol|BRN 1340498|Caswell No. 713|CH3CH(OH)CH2OH|Chilisa FE|DL-1,2-Propanediol|dl-Propylene glycol|Dowfrost|EINECS 200-338-0|EPA Pesticide Chemical Code 068603|FEMA No. 2940|General lube|Glycol|HOCH2CH(OH)CH3|HOCH2CH(OH)Me|Ilexan P|Inhibited 1,2-propylene glycol|Isopropylene glycol|MeCH(OH)CH2OH|Methyl ethylene glycol|methyl glycol|Methylethyl glycol|Methylethylene glycol|MONO PROPYLENE GLYCOL|Monopropylene glycol|NSC 69860|POLYESTER OF 1,2-PROPANEDIOL|PPD|Prolugen|Propan-1,2-diol|Propane-1,2-diol|Propanediol|propano-1,2-diol|PROPYLENE GLYCOL|Propylene glycol usp|PROPYLENE, GLYCOL|Propylen|1194046-20-2|190913-75-8|4254-16-4|63625-56-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021206 https://doi.org/10.22427/NTP-DATA-DTXSID0021206
ARPathway2016 ARPathway2016_1057 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5 DTXSID3038808 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5|1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane|1,3,5,7-Tetramethyltetravinylcyclotetrasiloxane|1,3,5,7-Tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane|2,4,6,8-Tetraethenyl-2,4,6,8-tetramethylcyclotetrasiloxane|2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcycloterasiloxane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcyclotetrasiloxane|2,4,6,8-Tetravinyl-2,4,6,8-tetramethylcyclotetrasiloxane|Cyclotetrasiloxane, 2, 4, 6, 8- tetraethenyl- 2, 4, 6, 8- tetramethyl-|Cyclotetrasiloxane, 2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-|CYCLOTETRASILOXANE, 2,4,6,8-TETRAMETHYLTETRAVINYL-|CYCLOTETRASILOXANE, TETRAMETHYLTETRAVINYL-|D 4Vi|EINECS 219-863-1|Fluka 87927|H 50614|LS 8670|MVS-H|PS 925|PS 925 (siloxane)|S-Tetramethyltetravinylcyclotetrasiloxane|SIT 7900|Tetramethyltetravinylcyclotetrasiloxane|Tetravinyltetramethylcyclotetrasiloxane|TM-TVCS|Vinyl D 4|VM 20|VMC|VMS 005|1593696-56-0|209249-07-0|250699-00-4|83891-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038808
ARPathway2016 ARPathway2016_1057 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5 DTXSID3038808 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5|1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane|1,3,5,7-Tetramethyltetravinylcyclotetrasiloxane|1,3,5,7-Tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane|2,4,6,8-Tetraethenyl-2,4,6,8-tetramethylcyclotetrasiloxane|2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcycloterasiloxane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcyclotetrasiloxane|2,4,6,8-Tetravinyl-2,4,6,8-tetramethylcyclotetrasiloxane|Cyclotetrasiloxane, 2, 4, 6, 8- tetraethenyl- 2, 4, 6, 8- tetramethyl-|Cyclotetrasiloxane, 2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-|CYCLOTETRASILOXANE, 2,4,6,8-TETRAMETHYLTETRAVINYL-|CYCLOTETRASILOXANE, TETRAMETHYLTETRAVINYL-|D 4Vi|EINECS 219-863-1|Fluka 87927|H 50614|LS 8670|MVS-H|PS 925|PS 925 (siloxane)|S-Tetramethyltetravinylcyclotetrasiloxane|SIT 7900|Tetramethyltetravinylcyclotetrasiloxane|Tetravinyltetramethylcyclotetrasiloxane|TM-TVCS|Vinyl D 4|VM 20|VMC|VMS 005|1593696-56-0|209249-07-0|250699-00-4|83891-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038808
ARPathway2016 ARPathway2016_1057 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5 DTXSID3038808 0.0 AR Pathway Model, Agonist Call Inactive Unitless C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5|1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane|1,3,5,7-Tetramethyltetravinylcyclotetrasiloxane|1,3,5,7-Tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane|2,4,6,8-Tetraethenyl-2,4,6,8-tetramethylcyclotetrasiloxane|2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcycloterasiloxane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcyclotetrasiloxane|2,4,6,8-Tetravinyl-2,4,6,8-tetramethylcyclotetrasiloxane|Cyclotetrasiloxane, 2, 4, 6, 8- tetraethenyl- 2, 4, 6, 8- tetramethyl-|Cyclotetrasiloxane, 2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-|CYCLOTETRASILOXANE, 2,4,6,8-TETRAMETHYLTETRAVINYL-|CYCLOTETRASILOXANE, TETRAMETHYLTETRAVINYL-|D 4Vi|EINECS 219-863-1|Fluka 87927|H 50614|LS 8670|MVS-H|PS 925|PS 925 (siloxane)|S-Tetramethyltetravinylcyclotetrasiloxane|SIT 7900|Tetramethyltetravinylcyclotetrasiloxane|Tetravinyltetramethylcyclotetrasiloxane|TM-TVCS|Vinyl D 4|VM 20|VMC|VMS 005|1593696-56-0|209249-07-0|250699-00-4|83891-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038808
ARPathway2016 ARPathway2016_1057 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5 DTXSID3038808 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5|1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane|1,3,5,7-Tetramethyltetravinylcyclotetrasiloxane|1,3,5,7-Tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane|2,4,6,8-Tetraethenyl-2,4,6,8-tetramethylcyclotetrasiloxane|2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcycloterasiloxane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcyclotetrasiloxane|2,4,6,8-Tetravinyl-2,4,6,8-tetramethylcyclotetrasiloxane|Cyclotetrasiloxane, 2, 4, 6, 8- tetraethenyl- 2, 4, 6, 8- tetramethyl-|Cyclotetrasiloxane, 2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-|CYCLOTETRASILOXANE, 2,4,6,8-TETRAMETHYLTETRAVINYL-|CYCLOTETRASILOXANE, TETRAMETHYLTETRAVINYL-|D 4Vi|EINECS 219-863-1|Fluka 87927|H 50614|LS 8670|MVS-H|PS 925|PS 925 (siloxane)|S-Tetramethyltetravinylcyclotetrasiloxane|SIT 7900|Tetramethyltetravinylcyclotetrasiloxane|Tetravinyltetramethylcyclotetrasiloxane|TM-TVCS|Vinyl D 4|VM 20|VMC|VMS 005|1593696-56-0|209249-07-0|250699-00-4|83891-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038808
ERPathway2016 ERPathway2016_320 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5 DTXSID3038808 ER Pathway Model, Antagonist AC50 30.2034753009521 uM C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5|1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane|1,3,5,7-Tetramethyltetravinylcyclotetrasiloxane|1,3,5,7-Tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane|2,4,6,8-Tetraethenyl-2,4,6,8-tetramethylcyclotetrasiloxane|2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcycloterasiloxane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcyclotetrasiloxane|2,4,6,8-Tetravinyl-2,4,6,8-tetramethylcyclotetrasiloxane|Cyclotetrasiloxane, 2, 4, 6, 8- tetraethenyl- 2, 4, 6, 8- tetramethyl-|Cyclotetrasiloxane, 2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-|CYCLOTETRASILOXANE, 2,4,6,8-TETRAMETHYLTETRAVINYL-|CYCLOTETRASILOXANE, TETRAMETHYLTETRAVINYL-|D 4Vi|EINECS 219-863-1|Fluka 87927|H 50614|LS 8670|MVS-H|PS 925|PS 925 (siloxane)|S-Tetramethyltetravinylcyclotetrasiloxane|SIT 7900|Tetramethyltetravinylcyclotetrasiloxane|Tetravinyltetramethylcyclotetrasiloxane|TM-TVCS|Vinyl D 4|VM 20|VMC|VMS 005|1593696-56-0|209249-07-0|250699-00-4|83891-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038808
ERPathway2016 ERPathway2016_320 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5 DTXSID3038808 ER Pathway Model, Antagonist ACC 41.1199502782826 uM C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5|1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane|1,3,5,7-Tetramethyltetravinylcyclotetrasiloxane|1,3,5,7-Tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane|2,4,6,8-Tetraethenyl-2,4,6,8-tetramethylcyclotetrasiloxane|2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcycloterasiloxane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcyclotetrasiloxane|2,4,6,8-Tetravinyl-2,4,6,8-tetramethylcyclotetrasiloxane|Cyclotetrasiloxane, 2, 4, 6, 8- tetraethenyl- 2, 4, 6, 8- tetramethyl-|Cyclotetrasiloxane, 2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-|CYCLOTETRASILOXANE, 2,4,6,8-TETRAMETHYLTETRAVINYL-|CYCLOTETRASILOXANE, TETRAMETHYLTETRAVINYL-|D 4Vi|EINECS 219-863-1|Fluka 87927|H 50614|LS 8670|MVS-H|PS 925|PS 925 (siloxane)|S-Tetramethyltetravinylcyclotetrasiloxane|SIT 7900|Tetramethyltetravinylcyclotetrasiloxane|Tetravinyltetramethylcyclotetrasiloxane|TM-TVCS|Vinyl D 4|VM 20|VMC|VMS 005|1593696-56-0|209249-07-0|250699-00-4|83891-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038808
ERPathway2016 ERPathway2016_320 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5 DTXSID3038808 ER Pathway Model, Agonist Model Score 0.0268 Unitless C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5|1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane|1,3,5,7-Tetramethyltetravinylcyclotetrasiloxane|1,3,5,7-Tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane|2,4,6,8-Tetraethenyl-2,4,6,8-tetramethylcyclotetrasiloxane|2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcycloterasiloxane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcyclotetrasiloxane|2,4,6,8-Tetravinyl-2,4,6,8-tetramethylcyclotetrasiloxane|Cyclotetrasiloxane, 2, 4, 6, 8- tetraethenyl- 2, 4, 6, 8- tetramethyl-|Cyclotetrasiloxane, 2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-|CYCLOTETRASILOXANE, 2,4,6,8-TETRAMETHYLTETRAVINYL-|CYCLOTETRASILOXANE, TETRAMETHYLTETRAVINYL-|D 4Vi|EINECS 219-863-1|Fluka 87927|H 50614|LS 8670|MVS-H|PS 925|PS 925 (siloxane)|S-Tetramethyltetravinylcyclotetrasiloxane|SIT 7900|Tetramethyltetravinylcyclotetrasiloxane|Tetravinyltetramethylcyclotetrasiloxane|TM-TVCS|Vinyl D 4|VM 20|VMC|VMS 005|1593696-56-0|209249-07-0|250699-00-4|83891-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038808
ERPathway2016 ERPathway2016_320 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5 DTXSID3038808 ER Pathway Model, Antagonist Model Score 0 Unitless C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5|1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane|1,3,5,7-Tetramethyltetravinylcyclotetrasiloxane|1,3,5,7-Tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane|2,4,6,8-Tetraethenyl-2,4,6,8-tetramethylcyclotetrasiloxane|2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcycloterasiloxane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcyclotetrasiloxane|2,4,6,8-Tetravinyl-2,4,6,8-tetramethylcyclotetrasiloxane|Cyclotetrasiloxane, 2, 4, 6, 8- tetraethenyl- 2, 4, 6, 8- tetramethyl-|Cyclotetrasiloxane, 2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-|CYCLOTETRASILOXANE, 2,4,6,8-TETRAMETHYLTETRAVINYL-|CYCLOTETRASILOXANE, TETRAMETHYLTETRAVINYL-|D 4Vi|EINECS 219-863-1|Fluka 87927|H 50614|LS 8670|MVS-H|PS 925|PS 925 (siloxane)|S-Tetramethyltetravinylcyclotetrasiloxane|SIT 7900|Tetramethyltetravinylcyclotetrasiloxane|Tetravinyltetramethylcyclotetrasiloxane|TM-TVCS|Vinyl D 4|VM 20|VMC|VMS 005|1593696-56-0|209249-07-0|250699-00-4|83891-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038808
ERPathway2016 ERPathway2016_320 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5 DTXSID3038808 ER Pathway Model, Agonist Call Inactive Unitless C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5|1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane|1,3,5,7-Tetramethyltetravinylcyclotetrasiloxane|1,3,5,7-Tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane|2,4,6,8-Tetraethenyl-2,4,6,8-tetramethylcyclotetrasiloxane|2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcycloterasiloxane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcyclotetrasiloxane|2,4,6,8-Tetravinyl-2,4,6,8-tetramethylcyclotetrasiloxane|Cyclotetrasiloxane, 2, 4, 6, 8- tetraethenyl- 2, 4, 6, 8- tetramethyl-|Cyclotetrasiloxane, 2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-|CYCLOTETRASILOXANE, 2,4,6,8-TETRAMETHYLTETRAVINYL-|CYCLOTETRASILOXANE, TETRAMETHYLTETRAVINYL-|D 4Vi|EINECS 219-863-1|Fluka 87927|H 50614|LS 8670|MVS-H|PS 925|PS 925 (siloxane)|S-Tetramethyltetravinylcyclotetrasiloxane|SIT 7900|Tetramethyltetravinylcyclotetrasiloxane|Tetravinyltetramethylcyclotetrasiloxane|TM-TVCS|Vinyl D 4|VM 20|VMC|VMS 005|1593696-56-0|209249-07-0|250699-00-4|83891-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038808
ERPathway2016 ERPathway2016_320 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5 DTXSID3038808 ER Pathway Model, Antagonist Call Active Unitless C[Si]1(O[Si](C)(O[Si](C)(O[Si](C)(O1)C=C)C=C)C=C)C=C 1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane 2554-06-5|1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane|1,3,5,7-Tetramethyltetravinylcyclotetrasiloxane|1,3,5,7-Tetravinyl-1,3,5,7-tetramethylcyclotetrasiloxane|2,4,6,8-Tetraethenyl-2,4,6,8-tetramethylcyclotetrasiloxane|2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcycloterasiloxane|2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcyclotetrasiloxane|2,4,6,8-Tetravinyl-2,4,6,8-tetramethylcyclotetrasiloxane|Cyclotetrasiloxane, 2, 4, 6, 8- tetraethenyl- 2, 4, 6, 8- tetramethyl-|Cyclotetrasiloxane, 2,4,6,8-tetramethyl-2,4,6,8-tetravinyl-|CYCLOTETRASILOXANE, 2,4,6,8-TETRAMETHYLTETRAVINYL-|CYCLOTETRASILOXANE, TETRAMETHYLTETRAVINYL-|D 4Vi|EINECS 219-863-1|Fluka 87927|H 50614|LS 8670|MVS-H|PS 925|PS 925 (siloxane)|S-Tetramethyltetravinylcyclotetrasiloxane|SIT 7900|Tetramethyltetravinylcyclotetrasiloxane|Tetravinyltetramethylcyclotetrasiloxane|TM-TVCS|Vinyl D 4|VM 20|VMC|VMS 005|1593696-56-0|209249-07-0|250699-00-4|83891-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038808
ARPathway2016 ARPathway2016_1559 1,3,5-Triethylhexahydro-s-triazine 7779-27-3 DTXSID1032511 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCN1CN(CC)CN(CC)C1 1,3,5-Triethylhexahydro-s-triazine 7779-27-3|1,3,5-Triethylhexahydro-s-triazine|1,3,5-Triazine, 1,3,5-triethylhexahydro-|1,3,5-Triethyl-1,3,5-triazacyclohexane|1,3,5-Triethylhexahydro-1,3,5-triazine|1,3,5-Tris(ethyl)hexahydro-s-triazine|4-26-00-00004|BRN 0106840|EINECS 231-924-4|hexahidro-1,3,5-trietil-1,3,5-triazina|Hexahydro-1,3,5-triethyl-1,3,5-triazin|Hexahydro-1,3,5-triethyl-1,3,5-triazine|Hexahydro-1,3,5-triethyl-s-triazine|NSC 26771|s-Triazine, 1,3,5-triethylhexahydro-|TRIAZINE (1,3,5), 1,3,5-TRIETHYLHEXAHYDRO-|Triethyl-trimethylenetriamine|UNII-T5ADA431CF|Vancide TH https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032511
ARPathway2016 ARPathway2016_1559 1,3,5-Triethylhexahydro-s-triazine 7779-27-3 DTXSID1032511 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCN1CN(CC)CN(CC)C1 1,3,5-Triethylhexahydro-s-triazine 7779-27-3|1,3,5-Triethylhexahydro-s-triazine|1,3,5-Triazine, 1,3,5-triethylhexahydro-|1,3,5-Triethyl-1,3,5-triazacyclohexane|1,3,5-Triethylhexahydro-1,3,5-triazine|1,3,5-Tris(ethyl)hexahydro-s-triazine|4-26-00-00004|BRN 0106840|EINECS 231-924-4|hexahidro-1,3,5-trietil-1,3,5-triazina|Hexahydro-1,3,5-triethyl-1,3,5-triazin|Hexahydro-1,3,5-triethyl-1,3,5-triazine|Hexahydro-1,3,5-triethyl-s-triazine|NSC 26771|s-Triazine, 1,3,5-triethylhexahydro-|TRIAZINE (1,3,5), 1,3,5-TRIETHYLHEXAHYDRO-|Triethyl-trimethylenetriamine|UNII-T5ADA431CF|Vancide TH https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032511
ARPathway2016 ARPathway2016_1559 1,3,5-Triethylhexahydro-s-triazine 7779-27-3 DTXSID1032511 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCN1CN(CC)CN(CC)C1 1,3,5-Triethylhexahydro-s-triazine 7779-27-3|1,3,5-Triethylhexahydro-s-triazine|1,3,5-Triazine, 1,3,5-triethylhexahydro-|1,3,5-Triethyl-1,3,5-triazacyclohexane|1,3,5-Triethylhexahydro-1,3,5-triazine|1,3,5-Tris(ethyl)hexahydro-s-triazine|4-26-00-00004|BRN 0106840|EINECS 231-924-4|hexahidro-1,3,5-trietil-1,3,5-triazina|Hexahydro-1,3,5-triethyl-1,3,5-triazin|Hexahydro-1,3,5-triethyl-1,3,5-triazine|Hexahydro-1,3,5-triethyl-s-triazine|NSC 26771|s-Triazine, 1,3,5-triethylhexahydro-|TRIAZINE (1,3,5), 1,3,5-TRIETHYLHEXAHYDRO-|Triethyl-trimethylenetriamine|UNII-T5ADA431CF|Vancide TH https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032511
ARPathway2016 ARPathway2016_1559 1,3,5-Triethylhexahydro-s-triazine 7779-27-3 DTXSID1032511 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCN1CN(CC)CN(CC)C1 1,3,5-Triethylhexahydro-s-triazine 7779-27-3|1,3,5-Triethylhexahydro-s-triazine|1,3,5-Triazine, 1,3,5-triethylhexahydro-|1,3,5-Triethyl-1,3,5-triazacyclohexane|1,3,5-Triethylhexahydro-1,3,5-triazine|1,3,5-Tris(ethyl)hexahydro-s-triazine|4-26-00-00004|BRN 0106840|EINECS 231-924-4|hexahidro-1,3,5-trietil-1,3,5-triazina|Hexahydro-1,3,5-triethyl-1,3,5-triazin|Hexahydro-1,3,5-triethyl-1,3,5-triazine|Hexahydro-1,3,5-triethyl-s-triazine|NSC 26771|s-Triazine, 1,3,5-triethylhexahydro-|TRIAZINE (1,3,5), 1,3,5-TRIETHYLHEXAHYDRO-|Triethyl-trimethylenetriamine|UNII-T5ADA431CF|Vancide TH https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032511
ERPathway2016 ERPathway2016_1657 1,3,5-Triethylhexahydro-s-triazine 7779-27-3 DTXSID1032511 ER Pathway Model, Agonist Model Score 0 Unitless CCN1CN(CC)CN(CC)C1 1,3,5-Triethylhexahydro-s-triazine 7779-27-3|1,3,5-Triethylhexahydro-s-triazine|1,3,5-Triazine, 1,3,5-triethylhexahydro-|1,3,5-Triethyl-1,3,5-triazacyclohexane|1,3,5-Triethylhexahydro-1,3,5-triazine|1,3,5-Tris(ethyl)hexahydro-s-triazine|4-26-00-00004|BRN 0106840|EINECS 231-924-4|hexahidro-1,3,5-trietil-1,3,5-triazina|Hexahydro-1,3,5-triethyl-1,3,5-triazin|Hexahydro-1,3,5-triethyl-1,3,5-triazine|Hexahydro-1,3,5-triethyl-s-triazine|NSC 26771|s-Triazine, 1,3,5-triethylhexahydro-|TRIAZINE (1,3,5), 1,3,5-TRIETHYLHEXAHYDRO-|Triethyl-trimethylenetriamine|UNII-T5ADA431CF|Vancide TH https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032511
ERPathway2016 ERPathway2016_1657 1,3,5-Triethylhexahydro-s-triazine 7779-27-3 DTXSID1032511 ER Pathway Model, Antagonist Model Score 0 Unitless CCN1CN(CC)CN(CC)C1 1,3,5-Triethylhexahydro-s-triazine 7779-27-3|1,3,5-Triethylhexahydro-s-triazine|1,3,5-Triazine, 1,3,5-triethylhexahydro-|1,3,5-Triethyl-1,3,5-triazacyclohexane|1,3,5-Triethylhexahydro-1,3,5-triazine|1,3,5-Tris(ethyl)hexahydro-s-triazine|4-26-00-00004|BRN 0106840|EINECS 231-924-4|hexahidro-1,3,5-trietil-1,3,5-triazina|Hexahydro-1,3,5-triethyl-1,3,5-triazin|Hexahydro-1,3,5-triethyl-1,3,5-triazine|Hexahydro-1,3,5-triethyl-s-triazine|NSC 26771|s-Triazine, 1,3,5-triethylhexahydro-|TRIAZINE (1,3,5), 1,3,5-TRIETHYLHEXAHYDRO-|Triethyl-trimethylenetriamine|UNII-T5ADA431CF|Vancide TH https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032511
ERPathway2016 ERPathway2016_1657 1,3,5-Triethylhexahydro-s-triazine 7779-27-3 DTXSID1032511 ER Pathway Model, Agonist Call Inactive Unitless CCN1CN(CC)CN(CC)C1 1,3,5-Triethylhexahydro-s-triazine 7779-27-3|1,3,5-Triethylhexahydro-s-triazine|1,3,5-Triazine, 1,3,5-triethylhexahydro-|1,3,5-Triethyl-1,3,5-triazacyclohexane|1,3,5-Triethylhexahydro-1,3,5-triazine|1,3,5-Tris(ethyl)hexahydro-s-triazine|4-26-00-00004|BRN 0106840|EINECS 231-924-4|hexahidro-1,3,5-trietil-1,3,5-triazina|Hexahydro-1,3,5-triethyl-1,3,5-triazin|Hexahydro-1,3,5-triethyl-1,3,5-triazine|Hexahydro-1,3,5-triethyl-s-triazine|NSC 26771|s-Triazine, 1,3,5-triethylhexahydro-|TRIAZINE (1,3,5), 1,3,5-TRIETHYLHEXAHYDRO-|Triethyl-trimethylenetriamine|UNII-T5ADA431CF|Vancide TH https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032511
ERPathway2016 ERPathway2016_1657 1,3,5-Triethylhexahydro-s-triazine 7779-27-3 DTXSID1032511 ER Pathway Model, Antagonist Call Inactive Unitless CCN1CN(CC)CN(CC)C1 1,3,5-Triethylhexahydro-s-triazine 7779-27-3|1,3,5-Triethylhexahydro-s-triazine|1,3,5-Triazine, 1,3,5-triethylhexahydro-|1,3,5-Triethyl-1,3,5-triazacyclohexane|1,3,5-Triethylhexahydro-1,3,5-triazine|1,3,5-Tris(ethyl)hexahydro-s-triazine|4-26-00-00004|BRN 0106840|EINECS 231-924-4|hexahidro-1,3,5-trietil-1,3,5-triazina|Hexahydro-1,3,5-triethyl-1,3,5-triazin|Hexahydro-1,3,5-triethyl-1,3,5-triazine|Hexahydro-1,3,5-triethyl-s-triazine|NSC 26771|s-Triazine, 1,3,5-triethylhexahydro-|TRIAZINE (1,3,5), 1,3,5-TRIETHYLHEXAHYDRO-|Triethyl-trimethylenetriamine|UNII-T5ADA431CF|Vancide TH https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032511
ARPathway2016 ARPathway2016_1512 1,3,5-Triisopropylbenzene 717-74-8 DTXSID4041232 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C 1,3,5-Triisopropylbenzene 717-74-8|1,3,5-Triisopropylbenzene|2,4,6-Triisopropylbenzene|Benzene, 1,3,5-tris(1-methylethyl)-|EINECS 211-941-3|NSC 403075 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041232
ARPathway2016 ARPathway2016_1512 1,3,5-Triisopropylbenzene 717-74-8 DTXSID4041232 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C 1,3,5-Triisopropylbenzene 717-74-8|1,3,5-Triisopropylbenzene|2,4,6-Triisopropylbenzene|Benzene, 1,3,5-tris(1-methylethyl)-|EINECS 211-941-3|NSC 403075 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041232
ARPathway2016 ARPathway2016_1512 1,3,5-Triisopropylbenzene 717-74-8 DTXSID4041232 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C 1,3,5-Triisopropylbenzene 717-74-8|1,3,5-Triisopropylbenzene|2,4,6-Triisopropylbenzene|Benzene, 1,3,5-tris(1-methylethyl)-|EINECS 211-941-3|NSC 403075 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041232
ARPathway2016 ARPathway2016_1512 1,3,5-Triisopropylbenzene 717-74-8 DTXSID4041232 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C 1,3,5-Triisopropylbenzene 717-74-8|1,3,5-Triisopropylbenzene|2,4,6-Triisopropylbenzene|Benzene, 1,3,5-tris(1-methylethyl)-|EINECS 211-941-3|NSC 403075 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041232
ERPathway2016 ERPathway2016_946 1,3,5-Triisopropylbenzene 717-74-8 DTXSID4041232 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C 1,3,5-Triisopropylbenzene 717-74-8|1,3,5-Triisopropylbenzene|2,4,6-Triisopropylbenzene|Benzene, 1,3,5-tris(1-methylethyl)-|EINECS 211-941-3|NSC 403075 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041232
ERPathway2016 ERPathway2016_946 1,3,5-Triisopropylbenzene 717-74-8 DTXSID4041232 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C 1,3,5-Triisopropylbenzene 717-74-8|1,3,5-Triisopropylbenzene|2,4,6-Triisopropylbenzene|Benzene, 1,3,5-tris(1-methylethyl)-|EINECS 211-941-3|NSC 403075 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041232
ERPathway2016 ERPathway2016_946 1,3,5-Triisopropylbenzene 717-74-8 DTXSID4041232 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C 1,3,5-Triisopropylbenzene 717-74-8|1,3,5-Triisopropylbenzene|2,4,6-Triisopropylbenzene|Benzene, 1,3,5-tris(1-methylethyl)-|EINECS 211-941-3|NSC 403075 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041232
ERPathway2016 ERPathway2016_946 1,3,5-Triisopropylbenzene 717-74-8 DTXSID4041232 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C 1,3,5-Triisopropylbenzene 717-74-8|1,3,5-Triisopropylbenzene|2,4,6-Triisopropylbenzene|Benzene, 1,3,5-tris(1-methylethyl)-|EINECS 211-941-3|NSC 403075 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041232
ARPathway2016 ARPathway2016_515 1,3,5-Trimethylbenzene 108-67-8 DTXSID6026797 1.0 A9 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=CC(C)=C1 1,3,5-Trimethylbenzene 108-67-8|1,3,5-Trimethylbenzene|2,4,6-Trimethylbenzene|3,5-Dimethyltoluene|Benzene, 1,3,5-trimethyl-|EINECS 203-604-4|Fleet-X|mesitileno|Mesitylen|mesitylene|NSC 9273|s-trimethylbenzene|sym-Trimethylbenzene|UN 2325|UNII-887L18KQ6X https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026797
ARPathway2016 ARPathway2016_515 1,3,5-Trimethylbenzene 108-67-8 DTXSID6026797 1.0 A9 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=CC(C)=C1 1,3,5-Trimethylbenzene 108-67-8|1,3,5-Trimethylbenzene|2,4,6-Trimethylbenzene|3,5-Dimethyltoluene|Benzene, 1,3,5-trimethyl-|EINECS 203-604-4|Fleet-X|mesitileno|Mesitylen|mesitylene|NSC 9273|s-trimethylbenzene|sym-Trimethylbenzene|UN 2325|UNII-887L18KQ6X https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026797
ARPathway2016 ARPathway2016_515 1,3,5-Trimethylbenzene 108-67-8 DTXSID6026797 1.0 A9 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=CC(C)=C1 1,3,5-Trimethylbenzene 108-67-8|1,3,5-Trimethylbenzene|2,4,6-Trimethylbenzene|3,5-Dimethyltoluene|Benzene, 1,3,5-trimethyl-|EINECS 203-604-4|Fleet-X|mesitileno|Mesitylen|mesitylene|NSC 9273|s-trimethylbenzene|sym-Trimethylbenzene|UN 2325|UNII-887L18KQ6X https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026797
ARPathway2016 ARPathway2016_515 1,3,5-Trimethylbenzene 108-67-8 DTXSID6026797 1.0 A9 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=CC(C)=C1 1,3,5-Trimethylbenzene 108-67-8|1,3,5-Trimethylbenzene|2,4,6-Trimethylbenzene|3,5-Dimethyltoluene|Benzene, 1,3,5-trimethyl-|EINECS 203-604-4|Fleet-X|mesitileno|Mesitylen|mesitylene|NSC 9273|s-trimethylbenzene|sym-Trimethylbenzene|UN 2325|UNII-887L18KQ6X https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026797
ERPathway2016 ERPathway2016_1115 1,3,5-Trimethylbenzene 108-67-8 DTXSID6026797 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=CC(C)=C1 1,3,5-Trimethylbenzene 108-67-8|1,3,5-Trimethylbenzene|2,4,6-Trimethylbenzene|3,5-Dimethyltoluene|Benzene, 1,3,5-trimethyl-|EINECS 203-604-4|Fleet-X|mesitileno|Mesitylen|mesitylene|NSC 9273|s-trimethylbenzene|sym-Trimethylbenzene|UN 2325|UNII-887L18KQ6X https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026797
ERPathway2016 ERPathway2016_1115 1,3,5-Trimethylbenzene 108-67-8 DTXSID6026797 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=CC(C)=C1 1,3,5-Trimethylbenzene 108-67-8|1,3,5-Trimethylbenzene|2,4,6-Trimethylbenzene|3,5-Dimethyltoluene|Benzene, 1,3,5-trimethyl-|EINECS 203-604-4|Fleet-X|mesitileno|Mesitylen|mesitylene|NSC 9273|s-trimethylbenzene|sym-Trimethylbenzene|UN 2325|UNII-887L18KQ6X https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026797
ERPathway2016 ERPathway2016_1115 1,3,5-Trimethylbenzene 108-67-8 DTXSID6026797 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=CC(C)=C1 1,3,5-Trimethylbenzene 108-67-8|1,3,5-Trimethylbenzene|2,4,6-Trimethylbenzene|3,5-Dimethyltoluene|Benzene, 1,3,5-trimethyl-|EINECS 203-604-4|Fleet-X|mesitileno|Mesitylen|mesitylene|NSC 9273|s-trimethylbenzene|sym-Trimethylbenzene|UN 2325|UNII-887L18KQ6X https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026797
ERPathway2016 ERPathway2016_1115 1,3,5-Trimethylbenzene 108-67-8 DTXSID6026797 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=CC(C)=C1 1,3,5-Trimethylbenzene 108-67-8|1,3,5-Trimethylbenzene|2,4,6-Trimethylbenzene|3,5-Dimethyltoluene|Benzene, 1,3,5-trimethyl-|EINECS 203-604-4|Fleet-X|mesitileno|Mesitylen|mesitylene|NSC 9273|s-trimethylbenzene|sym-Trimethylbenzene|UN 2325|UNII-887L18KQ6X https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026797
ARPathway2016 ARPathway2016_511 1,3-Benzenediamine 108-45-2 DTXSID4021137 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC(N)=CC=C1 1,3-Benzenediamine 108-45-2|1,3-Benzenediamine|1,3-Diaminobenzene|1,3-Diaminophenylene|1,3-PHENYLENDIAMIN|1,3-Phenylenediamine|3-Aminoaniline|3-Phenylenediamine|4-13-00-00079|Benzene, 1,3-diamino-|BRN 0471357|C.I. Developer 11|CI Developer 11|Developer 11|Developer C|Developer H|Developer M|Direct Brown BR|Direct Brown GG|EINECS 203-584-7|m-Aminoaniline|m-Benzenediamine|m-Diaminobenzene|m-fenilendiamina|m-Fenylendiamin|m-Phenylendiamin|m-Phenylenediamine|meta-Aminoaniline|meta-Benzenediamine|meta-Diaminobenzene|meta-Phenylenediamine|Metaphenylenediamine|NSC 4776|PHENYLENE-1,3-DIAMINE|PHENYLENEDIAMINE|UNII-OE624J2447|1274866-89-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021137 https://doi.org/10.22427/NTP-DATA-DTXSID4021137
ARPathway2016 ARPathway2016_511 1,3-Benzenediamine 108-45-2 DTXSID4021137 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=CC(N)=CC=C1 1,3-Benzenediamine 108-45-2|1,3-Benzenediamine|1,3-Diaminobenzene|1,3-Diaminophenylene|1,3-PHENYLENDIAMIN|1,3-Phenylenediamine|3-Aminoaniline|3-Phenylenediamine|4-13-00-00079|Benzene, 1,3-diamino-|BRN 0471357|C.I. Developer 11|CI Developer 11|Developer 11|Developer C|Developer H|Developer M|Direct Brown BR|Direct Brown GG|EINECS 203-584-7|m-Aminoaniline|m-Benzenediamine|m-Diaminobenzene|m-fenilendiamina|m-Fenylendiamin|m-Phenylendiamin|m-Phenylenediamine|meta-Aminoaniline|meta-Benzenediamine|meta-Diaminobenzene|meta-Phenylenediamine|Metaphenylenediamine|NSC 4776|PHENYLENE-1,3-DIAMINE|PHENYLENEDIAMINE|UNII-OE624J2447|1274866-89-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021137 https://doi.org/10.22427/NTP-DATA-DTXSID4021137
ARPathway2016 ARPathway2016_511 1,3-Benzenediamine 108-45-2 DTXSID4021137 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC(N)=CC=C1 1,3-Benzenediamine 108-45-2|1,3-Benzenediamine|1,3-Diaminobenzene|1,3-Diaminophenylene|1,3-PHENYLENDIAMIN|1,3-Phenylenediamine|3-Aminoaniline|3-Phenylenediamine|4-13-00-00079|Benzene, 1,3-diamino-|BRN 0471357|C.I. Developer 11|CI Developer 11|Developer 11|Developer C|Developer H|Developer M|Direct Brown BR|Direct Brown GG|EINECS 203-584-7|m-Aminoaniline|m-Benzenediamine|m-Diaminobenzene|m-fenilendiamina|m-Fenylendiamin|m-Phenylendiamin|m-Phenylenediamine|meta-Aminoaniline|meta-Benzenediamine|meta-Diaminobenzene|meta-Phenylenediamine|Metaphenylenediamine|NSC 4776|PHENYLENE-1,3-DIAMINE|PHENYLENEDIAMINE|UNII-OE624J2447|1274866-89-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021137 https://doi.org/10.22427/NTP-DATA-DTXSID4021137
ARPathway2016 ARPathway2016_511 1,3-Benzenediamine 108-45-2 DTXSID4021137 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC(N)=CC=C1 1,3-Benzenediamine 108-45-2|1,3-Benzenediamine|1,3-Diaminobenzene|1,3-Diaminophenylene|1,3-PHENYLENDIAMIN|1,3-Phenylenediamine|3-Aminoaniline|3-Phenylenediamine|4-13-00-00079|Benzene, 1,3-diamino-|BRN 0471357|C.I. Developer 11|CI Developer 11|Developer 11|Developer C|Developer H|Developer M|Direct Brown BR|Direct Brown GG|EINECS 203-584-7|m-Aminoaniline|m-Benzenediamine|m-Diaminobenzene|m-fenilendiamina|m-Fenylendiamin|m-Phenylendiamin|m-Phenylenediamine|meta-Aminoaniline|meta-Benzenediamine|meta-Diaminobenzene|meta-Phenylenediamine|Metaphenylenediamine|NSC 4776|PHENYLENE-1,3-DIAMINE|PHENYLENEDIAMINE|UNII-OE624J2447|1274866-89-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021137 https://doi.org/10.22427/NTP-DATA-DTXSID4021137
ERPathway2016 ERPathway2016_1113 1,3-Benzenediamine 108-45-2 DTXSID4021137 ER Pathway Model, Agonist Model Score 0 Unitless NC1=CC(N)=CC=C1 1,3-Benzenediamine 108-45-2|1,3-Benzenediamine|1,3-Diaminobenzene|1,3-Diaminophenylene|1,3-PHENYLENDIAMIN|1,3-Phenylenediamine|3-Aminoaniline|3-Phenylenediamine|4-13-00-00079|Benzene, 1,3-diamino-|BRN 0471357|C.I. Developer 11|CI Developer 11|Developer 11|Developer C|Developer H|Developer M|Direct Brown BR|Direct Brown GG|EINECS 203-584-7|m-Aminoaniline|m-Benzenediamine|m-Diaminobenzene|m-fenilendiamina|m-Fenylendiamin|m-Phenylendiamin|m-Phenylenediamine|meta-Aminoaniline|meta-Benzenediamine|meta-Diaminobenzene|meta-Phenylenediamine|Metaphenylenediamine|NSC 4776|PHENYLENE-1,3-DIAMINE|PHENYLENEDIAMINE|UNII-OE624J2447|1274866-89-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021137 https://doi.org/10.22427/NTP-DATA-DTXSID4021137
ERPathway2016 ERPathway2016_1113 1,3-Benzenediamine 108-45-2 DTXSID4021137 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC(N)=CC=C1 1,3-Benzenediamine 108-45-2|1,3-Benzenediamine|1,3-Diaminobenzene|1,3-Diaminophenylene|1,3-PHENYLENDIAMIN|1,3-Phenylenediamine|3-Aminoaniline|3-Phenylenediamine|4-13-00-00079|Benzene, 1,3-diamino-|BRN 0471357|C.I. Developer 11|CI Developer 11|Developer 11|Developer C|Developer H|Developer M|Direct Brown BR|Direct Brown GG|EINECS 203-584-7|m-Aminoaniline|m-Benzenediamine|m-Diaminobenzene|m-fenilendiamina|m-Fenylendiamin|m-Phenylendiamin|m-Phenylenediamine|meta-Aminoaniline|meta-Benzenediamine|meta-Diaminobenzene|meta-Phenylenediamine|Metaphenylenediamine|NSC 4776|PHENYLENE-1,3-DIAMINE|PHENYLENEDIAMINE|UNII-OE624J2447|1274866-89-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021137 https://doi.org/10.22427/NTP-DATA-DTXSID4021137
ERPathway2016 ERPathway2016_1113 1,3-Benzenediamine 108-45-2 DTXSID4021137 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC(N)=CC=C1 1,3-Benzenediamine 108-45-2|1,3-Benzenediamine|1,3-Diaminobenzene|1,3-Diaminophenylene|1,3-PHENYLENDIAMIN|1,3-Phenylenediamine|3-Aminoaniline|3-Phenylenediamine|4-13-00-00079|Benzene, 1,3-diamino-|BRN 0471357|C.I. Developer 11|CI Developer 11|Developer 11|Developer C|Developer H|Developer M|Direct Brown BR|Direct Brown GG|EINECS 203-584-7|m-Aminoaniline|m-Benzenediamine|m-Diaminobenzene|m-fenilendiamina|m-Fenylendiamin|m-Phenylendiamin|m-Phenylenediamine|meta-Aminoaniline|meta-Benzenediamine|meta-Diaminobenzene|meta-Phenylenediamine|Metaphenylenediamine|NSC 4776|PHENYLENE-1,3-DIAMINE|PHENYLENEDIAMINE|UNII-OE624J2447|1274866-89-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021137 https://doi.org/10.22427/NTP-DATA-DTXSID4021137
ERPathway2016 ERPathway2016_1113 1,3-Benzenediamine 108-45-2 DTXSID4021137 ER Pathway Model, Antagonist Call Inactive Unitless NC1=CC(N)=CC=C1 1,3-Benzenediamine 108-45-2|1,3-Benzenediamine|1,3-Diaminobenzene|1,3-Diaminophenylene|1,3-PHENYLENDIAMIN|1,3-Phenylenediamine|3-Aminoaniline|3-Phenylenediamine|4-13-00-00079|Benzene, 1,3-diamino-|BRN 0471357|C.I. Developer 11|CI Developer 11|Developer 11|Developer C|Developer H|Developer M|Direct Brown BR|Direct Brown GG|EINECS 203-584-7|m-Aminoaniline|m-Benzenediamine|m-Diaminobenzene|m-fenilendiamina|m-Fenylendiamin|m-Phenylendiamin|m-Phenylenediamine|meta-Aminoaniline|meta-Benzenediamine|meta-Diaminobenzene|meta-Phenylenediamine|Metaphenylenediamine|NSC 4776|PHENYLENE-1,3-DIAMINE|PHENYLENEDIAMINE|UNII-OE624J2447|1274866-89-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021137 https://doi.org/10.22427/NTP-DATA-DTXSID4021137
ARPathway2016 ARPathway2016_1819 1,3-Benzenedicarbonyl dichloride 99-63-8 DTXSID3026641 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC(=O)C1=CC(=CC=C1)C(Cl)=O 1,3-Benzenedicarbonyl dichloride 99-63-8|1,3-Benzenedicarbonyl dichloride|1,3-Benzenedicarbonyl chloride|1,3-Benzenedicarboxylic acid, dichloride|1,3-Bis(chlorocarbonyl)benzene|1,3-Di(chlorocarbonyl)benzene|BRN 0638342|Dichlorid kyseliny isoftalove|Dichlorure d'isophtaloyle|dicloruro de isoftaloilo|EINECS 202-774-7|Isophthalic acid chloride|Isophthalic acid dichloride|Isophthalic chloride|Isophthaloyl chloride|isophthaloyl dichloride|ISOPHTHALOYLCHLORID|Isophthaloyldichlorid|Isophthalyl chloride|Isophthalyl dichloride|Isothaloyl chloride|m-Benzenedicarbonyl chloride|m-Phthalic dichloride|m-Phthaloyl chloride|m-Phthaloyl dichloride|m-Phthalyl dichloride|meta-Phthalyl dichloride|NSC 41884|UNII-6A3LDJ6CL3|188665-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026641
ARPathway2016 ARPathway2016_1819 1,3-Benzenedicarbonyl dichloride 99-63-8 DTXSID3026641 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC(=O)C1=CC(=CC=C1)C(Cl)=O 1,3-Benzenedicarbonyl dichloride 99-63-8|1,3-Benzenedicarbonyl dichloride|1,3-Benzenedicarbonyl chloride|1,3-Benzenedicarboxylic acid, dichloride|1,3-Bis(chlorocarbonyl)benzene|1,3-Di(chlorocarbonyl)benzene|BRN 0638342|Dichlorid kyseliny isoftalove|Dichlorure d'isophtaloyle|dicloruro de isoftaloilo|EINECS 202-774-7|Isophthalic acid chloride|Isophthalic acid dichloride|Isophthalic chloride|Isophthaloyl chloride|isophthaloyl dichloride|ISOPHTHALOYLCHLORID|Isophthaloyldichlorid|Isophthalyl chloride|Isophthalyl dichloride|Isothaloyl chloride|m-Benzenedicarbonyl chloride|m-Phthalic dichloride|m-Phthaloyl chloride|m-Phthaloyl dichloride|m-Phthalyl dichloride|meta-Phthalyl dichloride|NSC 41884|UNII-6A3LDJ6CL3|188665-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026641
ARPathway2016 ARPathway2016_1819 1,3-Benzenedicarbonyl dichloride 99-63-8 DTXSID3026641 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC(=O)C1=CC(=CC=C1)C(Cl)=O 1,3-Benzenedicarbonyl dichloride 99-63-8|1,3-Benzenedicarbonyl dichloride|1,3-Benzenedicarbonyl chloride|1,3-Benzenedicarboxylic acid, dichloride|1,3-Bis(chlorocarbonyl)benzene|1,3-Di(chlorocarbonyl)benzene|BRN 0638342|Dichlorid kyseliny isoftalove|Dichlorure d'isophtaloyle|dicloruro de isoftaloilo|EINECS 202-774-7|Isophthalic acid chloride|Isophthalic acid dichloride|Isophthalic chloride|Isophthaloyl chloride|isophthaloyl dichloride|ISOPHTHALOYLCHLORID|Isophthaloyldichlorid|Isophthalyl chloride|Isophthalyl dichloride|Isothaloyl chloride|m-Benzenedicarbonyl chloride|m-Phthalic dichloride|m-Phthaloyl chloride|m-Phthaloyl dichloride|m-Phthalyl dichloride|meta-Phthalyl dichloride|NSC 41884|UNII-6A3LDJ6CL3|188665-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026641
ARPathway2016 ARPathway2016_1819 1,3-Benzenedicarbonyl dichloride 99-63-8 DTXSID3026641 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC(=O)C1=CC(=CC=C1)C(Cl)=O 1,3-Benzenedicarbonyl dichloride 99-63-8|1,3-Benzenedicarbonyl dichloride|1,3-Benzenedicarbonyl chloride|1,3-Benzenedicarboxylic acid, dichloride|1,3-Bis(chlorocarbonyl)benzene|1,3-Di(chlorocarbonyl)benzene|BRN 0638342|Dichlorid kyseliny isoftalove|Dichlorure d'isophtaloyle|dicloruro de isoftaloilo|EINECS 202-774-7|Isophthalic acid chloride|Isophthalic acid dichloride|Isophthalic chloride|Isophthaloyl chloride|isophthaloyl dichloride|ISOPHTHALOYLCHLORID|Isophthaloyldichlorid|Isophthalyl chloride|Isophthalyl dichloride|Isothaloyl chloride|m-Benzenedicarbonyl chloride|m-Phthalic dichloride|m-Phthaloyl chloride|m-Phthaloyl dichloride|m-Phthalyl dichloride|meta-Phthalyl dichloride|NSC 41884|UNII-6A3LDJ6CL3|188665-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026641
ERPathway2016 ERPathway2016_1799 1,3-Benzenedicarbonyl dichloride 99-63-8 DTXSID3026641 ER Pathway Model, Agonist Model Score 0 Unitless ClC(=O)C1=CC(=CC=C1)C(Cl)=O 1,3-Benzenedicarbonyl dichloride 99-63-8|1,3-Benzenedicarbonyl dichloride|1,3-Benzenedicarbonyl chloride|1,3-Benzenedicarboxylic acid, dichloride|1,3-Bis(chlorocarbonyl)benzene|1,3-Di(chlorocarbonyl)benzene|BRN 0638342|Dichlorid kyseliny isoftalove|Dichlorure d'isophtaloyle|dicloruro de isoftaloilo|EINECS 202-774-7|Isophthalic acid chloride|Isophthalic acid dichloride|Isophthalic chloride|Isophthaloyl chloride|isophthaloyl dichloride|ISOPHTHALOYLCHLORID|Isophthaloyldichlorid|Isophthalyl chloride|Isophthalyl dichloride|Isothaloyl chloride|m-Benzenedicarbonyl chloride|m-Phthalic dichloride|m-Phthaloyl chloride|m-Phthaloyl dichloride|m-Phthalyl dichloride|meta-Phthalyl dichloride|NSC 41884|UNII-6A3LDJ6CL3|188665-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026641
ERPathway2016 ERPathway2016_1799 1,3-Benzenedicarbonyl dichloride 99-63-8 DTXSID3026641 ER Pathway Model, Antagonist Model Score 0 Unitless ClC(=O)C1=CC(=CC=C1)C(Cl)=O 1,3-Benzenedicarbonyl dichloride 99-63-8|1,3-Benzenedicarbonyl dichloride|1,3-Benzenedicarbonyl chloride|1,3-Benzenedicarboxylic acid, dichloride|1,3-Bis(chlorocarbonyl)benzene|1,3-Di(chlorocarbonyl)benzene|BRN 0638342|Dichlorid kyseliny isoftalove|Dichlorure d'isophtaloyle|dicloruro de isoftaloilo|EINECS 202-774-7|Isophthalic acid chloride|Isophthalic acid dichloride|Isophthalic chloride|Isophthaloyl chloride|isophthaloyl dichloride|ISOPHTHALOYLCHLORID|Isophthaloyldichlorid|Isophthalyl chloride|Isophthalyl dichloride|Isothaloyl chloride|m-Benzenedicarbonyl chloride|m-Phthalic dichloride|m-Phthaloyl chloride|m-Phthaloyl dichloride|m-Phthalyl dichloride|meta-Phthalyl dichloride|NSC 41884|UNII-6A3LDJ6CL3|188665-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026641
ERPathway2016 ERPathway2016_1799 1,3-Benzenedicarbonyl dichloride 99-63-8 DTXSID3026641 ER Pathway Model, Agonist Call Inactive Unitless ClC(=O)C1=CC(=CC=C1)C(Cl)=O 1,3-Benzenedicarbonyl dichloride 99-63-8|1,3-Benzenedicarbonyl dichloride|1,3-Benzenedicarbonyl chloride|1,3-Benzenedicarboxylic acid, dichloride|1,3-Bis(chlorocarbonyl)benzene|1,3-Di(chlorocarbonyl)benzene|BRN 0638342|Dichlorid kyseliny isoftalove|Dichlorure d'isophtaloyle|dicloruro de isoftaloilo|EINECS 202-774-7|Isophthalic acid chloride|Isophthalic acid dichloride|Isophthalic chloride|Isophthaloyl chloride|isophthaloyl dichloride|ISOPHTHALOYLCHLORID|Isophthaloyldichlorid|Isophthalyl chloride|Isophthalyl dichloride|Isothaloyl chloride|m-Benzenedicarbonyl chloride|m-Phthalic dichloride|m-Phthaloyl chloride|m-Phthaloyl dichloride|m-Phthalyl dichloride|meta-Phthalyl dichloride|NSC 41884|UNII-6A3LDJ6CL3|188665-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026641
ERPathway2016 ERPathway2016_1799 1,3-Benzenedicarbonyl dichloride 99-63-8 DTXSID3026641 ER Pathway Model, Antagonist Call Inactive Unitless ClC(=O)C1=CC(=CC=C1)C(Cl)=O 1,3-Benzenedicarbonyl dichloride 99-63-8|1,3-Benzenedicarbonyl dichloride|1,3-Benzenedicarbonyl chloride|1,3-Benzenedicarboxylic acid, dichloride|1,3-Bis(chlorocarbonyl)benzene|1,3-Di(chlorocarbonyl)benzene|BRN 0638342|Dichlorid kyseliny isoftalove|Dichlorure d'isophtaloyle|dicloruro de isoftaloilo|EINECS 202-774-7|Isophthalic acid chloride|Isophthalic acid dichloride|Isophthalic chloride|Isophthaloyl chloride|isophthaloyl dichloride|ISOPHTHALOYLCHLORID|Isophthaloyldichlorid|Isophthalyl chloride|Isophthalyl dichloride|Isothaloyl chloride|m-Benzenedicarbonyl chloride|m-Phthalic dichloride|m-Phthaloyl chloride|m-Phthaloyl dichloride|m-Phthalyl dichloride|meta-Phthalyl dichloride|NSC 41884|UNII-6A3LDJ6CL3|188665-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026641
ARPathway2016 ARPathway2016_693 1,3-Benzenedicarboxylic acid 121-91-5 DTXSID3021485 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC(=CC=C1)C(O)=O 1,3-Benzenedicarboxylic acid 121-91-5|1,3-Benzenedicarboxylic acid|1,3-Benzenedicarboxylic acid|3-Carboxybenzoic acid|4-09-00-03292|Acide isophtalique|acido isoftalico|BENZENE-1,3-DICARBOXYLIC ACID|BRN 1909332|EINECS 204-506-4|Isophthalic acid|ISOPHTHALSAEURE|Isophthalsaure|Isoterephthalic acid|Kyselina isoftalova|m-Benzenedicarboxylic acid|m-Carboxybenzoic acid|m-Dicarboxybenzene|m-Phthalic acid|meta-benzenedicarboxylic acid|NSC 15310|PHTHALIC ACID, ISO|PHTHALIC ACID, META-|UNII-X35216H9FJ|2088100-84-7|55185-18-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021485
ARPathway2016 ARPathway2016_693 1,3-Benzenedicarboxylic acid 121-91-5 DTXSID3021485 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC(=CC=C1)C(O)=O 1,3-Benzenedicarboxylic acid 121-91-5|1,3-Benzenedicarboxylic acid|1,3-Benzenedicarboxylic acid|3-Carboxybenzoic acid|4-09-00-03292|Acide isophtalique|acido isoftalico|BENZENE-1,3-DICARBOXYLIC ACID|BRN 1909332|EINECS 204-506-4|Isophthalic acid|ISOPHTHALSAEURE|Isophthalsaure|Isoterephthalic acid|Kyselina isoftalova|m-Benzenedicarboxylic acid|m-Carboxybenzoic acid|m-Dicarboxybenzene|m-Phthalic acid|meta-benzenedicarboxylic acid|NSC 15310|PHTHALIC ACID, ISO|PHTHALIC ACID, META-|UNII-X35216H9FJ|2088100-84-7|55185-18-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021485
ARPathway2016 ARPathway2016_693 1,3-Benzenedicarboxylic acid 121-91-5 DTXSID3021485 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC(=CC=C1)C(O)=O 1,3-Benzenedicarboxylic acid 121-91-5|1,3-Benzenedicarboxylic acid|1,3-Benzenedicarboxylic acid|3-Carboxybenzoic acid|4-09-00-03292|Acide isophtalique|acido isoftalico|BENZENE-1,3-DICARBOXYLIC ACID|BRN 1909332|EINECS 204-506-4|Isophthalic acid|ISOPHTHALSAEURE|Isophthalsaure|Isoterephthalic acid|Kyselina isoftalova|m-Benzenedicarboxylic acid|m-Carboxybenzoic acid|m-Dicarboxybenzene|m-Phthalic acid|meta-benzenedicarboxylic acid|NSC 15310|PHTHALIC ACID, ISO|PHTHALIC ACID, META-|UNII-X35216H9FJ|2088100-84-7|55185-18-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021485
ARPathway2016 ARPathway2016_693 1,3-Benzenedicarboxylic acid 121-91-5 DTXSID3021485 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC(=CC=C1)C(O)=O 1,3-Benzenedicarboxylic acid 121-91-5|1,3-Benzenedicarboxylic acid|1,3-Benzenedicarboxylic acid|3-Carboxybenzoic acid|4-09-00-03292|Acide isophtalique|acido isoftalico|BENZENE-1,3-DICARBOXYLIC ACID|BRN 1909332|EINECS 204-506-4|Isophthalic acid|ISOPHTHALSAEURE|Isophthalsaure|Isoterephthalic acid|Kyselina isoftalova|m-Benzenedicarboxylic acid|m-Carboxybenzoic acid|m-Dicarboxybenzene|m-Phthalic acid|meta-benzenedicarboxylic acid|NSC 15310|PHTHALIC ACID, ISO|PHTHALIC ACID, META-|UNII-X35216H9FJ|2088100-84-7|55185-18-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021485
ERPathway2016 ERPathway2016_1219 1,3-Benzenedicarboxylic acid 121-91-5 DTXSID3021485 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC(=CC=C1)C(O)=O 1,3-Benzenedicarboxylic acid 121-91-5|1,3-Benzenedicarboxylic acid|1,3-Benzenedicarboxylic acid|3-Carboxybenzoic acid|4-09-00-03292|Acide isophtalique|acido isoftalico|BENZENE-1,3-DICARBOXYLIC ACID|BRN 1909332|EINECS 204-506-4|Isophthalic acid|ISOPHTHALSAEURE|Isophthalsaure|Isoterephthalic acid|Kyselina isoftalova|m-Benzenedicarboxylic acid|m-Carboxybenzoic acid|m-Dicarboxybenzene|m-Phthalic acid|meta-benzenedicarboxylic acid|NSC 15310|PHTHALIC ACID, ISO|PHTHALIC ACID, META-|UNII-X35216H9FJ|2088100-84-7|55185-18-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021485
ERPathway2016 ERPathway2016_1219 1,3-Benzenedicarboxylic acid 121-91-5 DTXSID3021485 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC(=CC=C1)C(O)=O 1,3-Benzenedicarboxylic acid 121-91-5|1,3-Benzenedicarboxylic acid|1,3-Benzenedicarboxylic acid|3-Carboxybenzoic acid|4-09-00-03292|Acide isophtalique|acido isoftalico|BENZENE-1,3-DICARBOXYLIC ACID|BRN 1909332|EINECS 204-506-4|Isophthalic acid|ISOPHTHALSAEURE|Isophthalsaure|Isoterephthalic acid|Kyselina isoftalova|m-Benzenedicarboxylic acid|m-Carboxybenzoic acid|m-Dicarboxybenzene|m-Phthalic acid|meta-benzenedicarboxylic acid|NSC 15310|PHTHALIC ACID, ISO|PHTHALIC ACID, META-|UNII-X35216H9FJ|2088100-84-7|55185-18-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021485
ERPathway2016 ERPathway2016_1219 1,3-Benzenedicarboxylic acid 121-91-5 DTXSID3021485 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC(=CC=C1)C(O)=O 1,3-Benzenedicarboxylic acid 121-91-5|1,3-Benzenedicarboxylic acid|1,3-Benzenedicarboxylic acid|3-Carboxybenzoic acid|4-09-00-03292|Acide isophtalique|acido isoftalico|BENZENE-1,3-DICARBOXYLIC ACID|BRN 1909332|EINECS 204-506-4|Isophthalic acid|ISOPHTHALSAEURE|Isophthalsaure|Isoterephthalic acid|Kyselina isoftalova|m-Benzenedicarboxylic acid|m-Carboxybenzoic acid|m-Dicarboxybenzene|m-Phthalic acid|meta-benzenedicarboxylic acid|NSC 15310|PHTHALIC ACID, ISO|PHTHALIC ACID, META-|UNII-X35216H9FJ|2088100-84-7|55185-18-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021485
ERPathway2016 ERPathway2016_1219 1,3-Benzenedicarboxylic acid 121-91-5 DTXSID3021485 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC(=CC=C1)C(O)=O 1,3-Benzenedicarboxylic acid 121-91-5|1,3-Benzenedicarboxylic acid|1,3-Benzenedicarboxylic acid|3-Carboxybenzoic acid|4-09-00-03292|Acide isophtalique|acido isoftalico|BENZENE-1,3-DICARBOXYLIC ACID|BRN 1909332|EINECS 204-506-4|Isophthalic acid|ISOPHTHALSAEURE|Isophthalsaure|Isoterephthalic acid|Kyselina isoftalova|m-Benzenedicarboxylic acid|m-Carboxybenzoic acid|m-Dicarboxybenzene|m-Phthalic acid|meta-benzenedicarboxylic acid|NSC 15310|PHTHALIC ACID, ISO|PHTHALIC ACID, META-|UNII-X35216H9FJ|2088100-84-7|55185-18-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021485
ARPathway2016 ARPathway2016_866 1,3-Benzenedimethanamine 1477-55-0 DTXSID9029649 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NCC1=CC(CN)=CC=C1 1,3-Benzenedimethanamine 1477-55-0|1,3-Benzenedimethanamine|1,3-Benzenebis(methylamine)|1,3-Bis-aminomethylbenzen|1,3-bis-Aminomethylbenzene|1,3-Bis(aminomethyl)benzene|1,3-Xylylenediamine|3-(Aminomethyl)benzylamine|alpha,alpha'-Diamino-m-xylene|BENZENE, 1,3-DI(AMINOMETHYL)-|BRN 1099911|EINECS 216-032-5|Epilink MX|m-(a,a'-Diamino)xylene|m-fenilenbis(metilamina)|m-Phenylenbis(methylamin)|m-phenylenebis(methylamine)|m-Xylene a, a'-diamine|m-Xylene-alpha,alpha'-diamine|m-Xylene-a,a'-diamine|m-Xylylendiamin|M-XYLYLENE DIAMINE|m-Xylylenediamine|META-XYLENE DIAMINE|METAXYLYLENEDIANINE|NSC 61568|UNII-1E84B9YLJD|a,a'-Diamino-m-xylene|a,a'-m-Xylenediamine|1370444-91-9|153326-45-5|2138310-14-0|554432-83-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029649
ARPathway2016 ARPathway2016_866 1,3-Benzenedimethanamine 1477-55-0 DTXSID9029649 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NCC1=CC(CN)=CC=C1 1,3-Benzenedimethanamine 1477-55-0|1,3-Benzenedimethanamine|1,3-Benzenebis(methylamine)|1,3-Bis-aminomethylbenzen|1,3-bis-Aminomethylbenzene|1,3-Bis(aminomethyl)benzene|1,3-Xylylenediamine|3-(Aminomethyl)benzylamine|alpha,alpha'-Diamino-m-xylene|BENZENE, 1,3-DI(AMINOMETHYL)-|BRN 1099911|EINECS 216-032-5|Epilink MX|m-(a,a'-Diamino)xylene|m-fenilenbis(metilamina)|m-Phenylenbis(methylamin)|m-phenylenebis(methylamine)|m-Xylene a, a'-diamine|m-Xylene-alpha,alpha'-diamine|m-Xylene-a,a'-diamine|m-Xylylendiamin|M-XYLYLENE DIAMINE|m-Xylylenediamine|META-XYLENE DIAMINE|METAXYLYLENEDIANINE|NSC 61568|UNII-1E84B9YLJD|a,a'-Diamino-m-xylene|a,a'-m-Xylenediamine|1370444-91-9|153326-45-5|2138310-14-0|554432-83-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029649
ARPathway2016 ARPathway2016_866 1,3-Benzenedimethanamine 1477-55-0 DTXSID9029649 0.0 AR Pathway Model, Agonist Call Inactive Unitless NCC1=CC(CN)=CC=C1 1,3-Benzenedimethanamine 1477-55-0|1,3-Benzenedimethanamine|1,3-Benzenebis(methylamine)|1,3-Bis-aminomethylbenzen|1,3-bis-Aminomethylbenzene|1,3-Bis(aminomethyl)benzene|1,3-Xylylenediamine|3-(Aminomethyl)benzylamine|alpha,alpha'-Diamino-m-xylene|BENZENE, 1,3-DI(AMINOMETHYL)-|BRN 1099911|EINECS 216-032-5|Epilink MX|m-(a,a'-Diamino)xylene|m-fenilenbis(metilamina)|m-Phenylenbis(methylamin)|m-phenylenebis(methylamine)|m-Xylene a, a'-diamine|m-Xylene-alpha,alpha'-diamine|m-Xylene-a,a'-diamine|m-Xylylendiamin|M-XYLYLENE DIAMINE|m-Xylylenediamine|META-XYLENE DIAMINE|METAXYLYLENEDIANINE|NSC 61568|UNII-1E84B9YLJD|a,a'-Diamino-m-xylene|a,a'-m-Xylenediamine|1370444-91-9|153326-45-5|2138310-14-0|554432-83-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029649
ARPathway2016 ARPathway2016_866 1,3-Benzenedimethanamine 1477-55-0 DTXSID9029649 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NCC1=CC(CN)=CC=C1 1,3-Benzenedimethanamine 1477-55-0|1,3-Benzenedimethanamine|1,3-Benzenebis(methylamine)|1,3-Bis-aminomethylbenzen|1,3-bis-Aminomethylbenzene|1,3-Bis(aminomethyl)benzene|1,3-Xylylenediamine|3-(Aminomethyl)benzylamine|alpha,alpha'-Diamino-m-xylene|BENZENE, 1,3-DI(AMINOMETHYL)-|BRN 1099911|EINECS 216-032-5|Epilink MX|m-(a,a'-Diamino)xylene|m-fenilenbis(metilamina)|m-Phenylenbis(methylamin)|m-phenylenebis(methylamine)|m-Xylene a, a'-diamine|m-Xylene-alpha,alpha'-diamine|m-Xylene-a,a'-diamine|m-Xylylendiamin|M-XYLYLENE DIAMINE|m-Xylylenediamine|META-XYLENE DIAMINE|METAXYLYLENEDIANINE|NSC 61568|UNII-1E84B9YLJD|a,a'-Diamino-m-xylene|a,a'-m-Xylenediamine|1370444-91-9|153326-45-5|2138310-14-0|554432-83-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029649
ERPathway2016 ERPathway2016_1313 1,3-Benzenedimethanamine 1477-55-0 DTXSID9029649 ER Pathway Model, Agonist Model Score 0 Unitless NCC1=CC(CN)=CC=C1 1,3-Benzenedimethanamine 1477-55-0|1,3-Benzenedimethanamine|1,3-Benzenebis(methylamine)|1,3-Bis-aminomethylbenzen|1,3-bis-Aminomethylbenzene|1,3-Bis(aminomethyl)benzene|1,3-Xylylenediamine|3-(Aminomethyl)benzylamine|alpha,alpha'-Diamino-m-xylene|BENZENE, 1,3-DI(AMINOMETHYL)-|BRN 1099911|EINECS 216-032-5|Epilink MX|m-(a,a'-Diamino)xylene|m-fenilenbis(metilamina)|m-Phenylenbis(methylamin)|m-phenylenebis(methylamine)|m-Xylene a, a'-diamine|m-Xylene-alpha,alpha'-diamine|m-Xylene-a,a'-diamine|m-Xylylendiamin|M-XYLYLENE DIAMINE|m-Xylylenediamine|META-XYLENE DIAMINE|METAXYLYLENEDIANINE|NSC 61568|UNII-1E84B9YLJD|a,a'-Diamino-m-xylene|a,a'-m-Xylenediamine|1370444-91-9|153326-45-5|2138310-14-0|554432-83-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029649
ERPathway2016 ERPathway2016_1313 1,3-Benzenedimethanamine 1477-55-0 DTXSID9029649 ER Pathway Model, Antagonist Model Score 0 Unitless NCC1=CC(CN)=CC=C1 1,3-Benzenedimethanamine 1477-55-0|1,3-Benzenedimethanamine|1,3-Benzenebis(methylamine)|1,3-Bis-aminomethylbenzen|1,3-bis-Aminomethylbenzene|1,3-Bis(aminomethyl)benzene|1,3-Xylylenediamine|3-(Aminomethyl)benzylamine|alpha,alpha'-Diamino-m-xylene|BENZENE, 1,3-DI(AMINOMETHYL)-|BRN 1099911|EINECS 216-032-5|Epilink MX|m-(a,a'-Diamino)xylene|m-fenilenbis(metilamina)|m-Phenylenbis(methylamin)|m-phenylenebis(methylamine)|m-Xylene a, a'-diamine|m-Xylene-alpha,alpha'-diamine|m-Xylene-a,a'-diamine|m-Xylylendiamin|M-XYLYLENE DIAMINE|m-Xylylenediamine|META-XYLENE DIAMINE|METAXYLYLENEDIANINE|NSC 61568|UNII-1E84B9YLJD|a,a'-Diamino-m-xylene|a,a'-m-Xylenediamine|1370444-91-9|153326-45-5|2138310-14-0|554432-83-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029649
ERPathway2016 ERPathway2016_1313 1,3-Benzenedimethanamine 1477-55-0 DTXSID9029649 ER Pathway Model, Agonist Call Inactive Unitless NCC1=CC(CN)=CC=C1 1,3-Benzenedimethanamine 1477-55-0|1,3-Benzenedimethanamine|1,3-Benzenebis(methylamine)|1,3-Bis-aminomethylbenzen|1,3-bis-Aminomethylbenzene|1,3-Bis(aminomethyl)benzene|1,3-Xylylenediamine|3-(Aminomethyl)benzylamine|alpha,alpha'-Diamino-m-xylene|BENZENE, 1,3-DI(AMINOMETHYL)-|BRN 1099911|EINECS 216-032-5|Epilink MX|m-(a,a'-Diamino)xylene|m-fenilenbis(metilamina)|m-Phenylenbis(methylamin)|m-phenylenebis(methylamine)|m-Xylene a, a'-diamine|m-Xylene-alpha,alpha'-diamine|m-Xylene-a,a'-diamine|m-Xylylendiamin|M-XYLYLENE DIAMINE|m-Xylylenediamine|META-XYLENE DIAMINE|METAXYLYLENEDIANINE|NSC 61568|UNII-1E84B9YLJD|a,a'-Diamino-m-xylene|a,a'-m-Xylenediamine|1370444-91-9|153326-45-5|2138310-14-0|554432-83-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029649
ERPathway2016 ERPathway2016_1313 1,3-Benzenedimethanamine 1477-55-0 DTXSID9029649 ER Pathway Model, Antagonist Call Inactive Unitless NCC1=CC(CN)=CC=C1 1,3-Benzenedimethanamine 1477-55-0|1,3-Benzenedimethanamine|1,3-Benzenebis(methylamine)|1,3-Bis-aminomethylbenzen|1,3-bis-Aminomethylbenzene|1,3-Bis(aminomethyl)benzene|1,3-Xylylenediamine|3-(Aminomethyl)benzylamine|alpha,alpha'-Diamino-m-xylene|BENZENE, 1,3-DI(AMINOMETHYL)-|BRN 1099911|EINECS 216-032-5|Epilink MX|m-(a,a'-Diamino)xylene|m-fenilenbis(metilamina)|m-Phenylenbis(methylamin)|m-phenylenebis(methylamine)|m-Xylene a, a'-diamine|m-Xylene-alpha,alpha'-diamine|m-Xylene-a,a'-diamine|m-Xylylendiamin|M-XYLYLENE DIAMINE|m-Xylylenediamine|META-XYLENE DIAMINE|METAXYLYLENEDIANINE|NSC 61568|UNII-1E84B9YLJD|a,a'-Diamino-m-xylene|a,a'-m-Xylenediamine|1370444-91-9|153326-45-5|2138310-14-0|554432-83-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029649
ARPathway2016 ARPathway2016_500 1,3-Butanediol 107-88-0 DTXSID8026773 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(O)CCO 1,3-Butanediol 107-88-0|1,3-Butanediol|(.+-.)-Butane-1,3-diol|(RS)-1,3-Butandiol|(RS)-1,3-Butanediol|0-01-00-00477|1-Methyl-1,3-propanediol|1,3 Butylene glycol|1,3-Butandiol|1,3-Butylene glycol|1,3-Butylenglykol|1,3-Dihydroxybutane|3-Hydroxy-1-butanol|beta-Butylene glycol|BRN 1731276|Butan-1,3-diol|Butane-1,3-diol|BUTANEDIOL, 1,3-|butano-1,3-diol|Caswell No. 128GG|DL-1,3-Butanediol|EINECS 203-529-7|Jeechem Bugl|Methyltrimethylene glycol|NSC 402145|NSC-402145|UNII-3XUS85K0RA|b-Butylene glycol|18826-95-4|817176-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026773
ARPathway2016 ARPathway2016_500 1,3-Butanediol 107-88-0 DTXSID8026773 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(O)CCO 1,3-Butanediol 107-88-0|1,3-Butanediol|(.+-.)-Butane-1,3-diol|(RS)-1,3-Butandiol|(RS)-1,3-Butanediol|0-01-00-00477|1-Methyl-1,3-propanediol|1,3 Butylene glycol|1,3-Butandiol|1,3-Butylene glycol|1,3-Butylenglykol|1,3-Dihydroxybutane|3-Hydroxy-1-butanol|beta-Butylene glycol|BRN 1731276|Butan-1,3-diol|Butane-1,3-diol|BUTANEDIOL, 1,3-|butano-1,3-diol|Caswell No. 128GG|DL-1,3-Butanediol|EINECS 203-529-7|Jeechem Bugl|Methyltrimethylene glycol|NSC 402145|NSC-402145|UNII-3XUS85K0RA|b-Butylene glycol|18826-95-4|817176-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026773
ARPathway2016 ARPathway2016_500 1,3-Butanediol 107-88-0 DTXSID8026773 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(O)CCO 1,3-Butanediol 107-88-0|1,3-Butanediol|(.+-.)-Butane-1,3-diol|(RS)-1,3-Butandiol|(RS)-1,3-Butanediol|0-01-00-00477|1-Methyl-1,3-propanediol|1,3 Butylene glycol|1,3-Butandiol|1,3-Butylene glycol|1,3-Butylenglykol|1,3-Dihydroxybutane|3-Hydroxy-1-butanol|beta-Butylene glycol|BRN 1731276|Butan-1,3-diol|Butane-1,3-diol|BUTANEDIOL, 1,3-|butano-1,3-diol|Caswell No. 128GG|DL-1,3-Butanediol|EINECS 203-529-7|Jeechem Bugl|Methyltrimethylene glycol|NSC 402145|NSC-402145|UNII-3XUS85K0RA|b-Butylene glycol|18826-95-4|817176-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026773
ARPathway2016 ARPathway2016_500 1,3-Butanediol 107-88-0 DTXSID8026773 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(O)CCO 1,3-Butanediol 107-88-0|1,3-Butanediol|(.+-.)-Butane-1,3-diol|(RS)-1,3-Butandiol|(RS)-1,3-Butanediol|0-01-00-00477|1-Methyl-1,3-propanediol|1,3 Butylene glycol|1,3-Butandiol|1,3-Butylene glycol|1,3-Butylenglykol|1,3-Dihydroxybutane|3-Hydroxy-1-butanol|beta-Butylene glycol|BRN 1731276|Butan-1,3-diol|Butane-1,3-diol|BUTANEDIOL, 1,3-|butano-1,3-diol|Caswell No. 128GG|DL-1,3-Butanediol|EINECS 203-529-7|Jeechem Bugl|Methyltrimethylene glycol|NSC 402145|NSC-402145|UNII-3XUS85K0RA|b-Butylene glycol|18826-95-4|817176-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026773
ERPathway2016 ERPathway2016_511 1,3-Butanediol 107-88-0 DTXSID8026773 R6 ER Pathway Model, Agonist Model Score 0 Unitless CC(O)CCO 1,3-Butanediol 107-88-0|1,3-Butanediol|(.+-.)-Butane-1,3-diol|(RS)-1,3-Butandiol|(RS)-1,3-Butanediol|0-01-00-00477|1-Methyl-1,3-propanediol|1,3 Butylene glycol|1,3-Butandiol|1,3-Butylene glycol|1,3-Butylenglykol|1,3-Dihydroxybutane|3-Hydroxy-1-butanol|beta-Butylene glycol|BRN 1731276|Butan-1,3-diol|Butane-1,3-diol|BUTANEDIOL, 1,3-|butano-1,3-diol|Caswell No. 128GG|DL-1,3-Butanediol|EINECS 203-529-7|Jeechem Bugl|Methyltrimethylene glycol|NSC 402145|NSC-402145|UNII-3XUS85K0RA|b-Butylene glycol|18826-95-4|817176-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026773
ERPathway2016 ERPathway2016_511 1,3-Butanediol 107-88-0 DTXSID8026773 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CC(O)CCO 1,3-Butanediol 107-88-0|1,3-Butanediol|(.+-.)-Butane-1,3-diol|(RS)-1,3-Butandiol|(RS)-1,3-Butanediol|0-01-00-00477|1-Methyl-1,3-propanediol|1,3 Butylene glycol|1,3-Butandiol|1,3-Butylene glycol|1,3-Butylenglykol|1,3-Dihydroxybutane|3-Hydroxy-1-butanol|beta-Butylene glycol|BRN 1731276|Butan-1,3-diol|Butane-1,3-diol|BUTANEDIOL, 1,3-|butano-1,3-diol|Caswell No. 128GG|DL-1,3-Butanediol|EINECS 203-529-7|Jeechem Bugl|Methyltrimethylene glycol|NSC 402145|NSC-402145|UNII-3XUS85K0RA|b-Butylene glycol|18826-95-4|817176-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026773
ERPathway2016 ERPathway2016_511 1,3-Butanediol 107-88-0 DTXSID8026773 R6 ER Pathway Model, Agonist Call Inactive Unitless CC(O)CCO 1,3-Butanediol 107-88-0|1,3-Butanediol|(.+-.)-Butane-1,3-diol|(RS)-1,3-Butandiol|(RS)-1,3-Butanediol|0-01-00-00477|1-Methyl-1,3-propanediol|1,3 Butylene glycol|1,3-Butandiol|1,3-Butylene glycol|1,3-Butylenglykol|1,3-Dihydroxybutane|3-Hydroxy-1-butanol|beta-Butylene glycol|BRN 1731276|Butan-1,3-diol|Butane-1,3-diol|BUTANEDIOL, 1,3-|butano-1,3-diol|Caswell No. 128GG|DL-1,3-Butanediol|EINECS 203-529-7|Jeechem Bugl|Methyltrimethylene glycol|NSC 402145|NSC-402145|UNII-3XUS85K0RA|b-Butylene glycol|18826-95-4|817176-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026773
ERPathway2016 ERPathway2016_511 1,3-Butanediol 107-88-0 DTXSID8026773 R6 ER Pathway Model, Antagonist Call Inactive Unitless CC(O)CCO 1,3-Butanediol 107-88-0|1,3-Butanediol|(.+-.)-Butane-1,3-diol|(RS)-1,3-Butandiol|(RS)-1,3-Butanediol|0-01-00-00477|1-Methyl-1,3-propanediol|1,3 Butylene glycol|1,3-Butandiol|1,3-Butylene glycol|1,3-Butylenglykol|1,3-Dihydroxybutane|3-Hydroxy-1-butanol|beta-Butylene glycol|BRN 1731276|Butan-1,3-diol|Butane-1,3-diol|BUTANEDIOL, 1,3-|butano-1,3-diol|Caswell No. 128GG|DL-1,3-Butanediol|EINECS 203-529-7|Jeechem Bugl|Methyltrimethylene glycol|NSC 402145|NSC-402145|UNII-3XUS85K0RA|b-Butylene glycol|18826-95-4|817176-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026773
ARPathway2016 ARPathway2016_1306 1,3-Cyclopentadiene 542-92-7 DTXSID0027191 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1C=CC=C1 1,3-Cyclopentadiene 542-92-7|1,3-Cyclopentadiene|ciclopentadieno|CYCLOPENTA-1,3-DIENE|Cyclopentadien|Cyclopentadiene|EINECS 208-835-4|HCp|Pentole|Pyropentylene|R-Pentine|UNII-5DFH9434HF|26912-33-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027191
ARPathway2016 ARPathway2016_1306 1,3-Cyclopentadiene 542-92-7 DTXSID0027191 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1C=CC=C1 1,3-Cyclopentadiene 542-92-7|1,3-Cyclopentadiene|ciclopentadieno|CYCLOPENTA-1,3-DIENE|Cyclopentadien|Cyclopentadiene|EINECS 208-835-4|HCp|Pentole|Pyropentylene|R-Pentine|UNII-5DFH9434HF|26912-33-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027191
ARPathway2016 ARPathway2016_1306 1,3-Cyclopentadiene 542-92-7 DTXSID0027191 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1C=CC=C1 1,3-Cyclopentadiene 542-92-7|1,3-Cyclopentadiene|ciclopentadieno|CYCLOPENTA-1,3-DIENE|Cyclopentadien|Cyclopentadiene|EINECS 208-835-4|HCp|Pentole|Pyropentylene|R-Pentine|UNII-5DFH9434HF|26912-33-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027191
ARPathway2016 ARPathway2016_1306 1,3-Cyclopentadiene 542-92-7 DTXSID0027191 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1C=CC=C1 1,3-Cyclopentadiene 542-92-7|1,3-Cyclopentadiene|ciclopentadieno|CYCLOPENTA-1,3-DIENE|Cyclopentadien|Cyclopentadiene|EINECS 208-835-4|HCp|Pentole|Pyropentylene|R-Pentine|UNII-5DFH9434HF|26912-33-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027191
ERPathway2016 ERPathway2016_1526 1,3-Cyclopentadiene 542-92-7 DTXSID0027191 ER Pathway Model, Agonist Model Score 0 Unitless C1C=CC=C1 1,3-Cyclopentadiene 542-92-7|1,3-Cyclopentadiene|ciclopentadieno|CYCLOPENTA-1,3-DIENE|Cyclopentadien|Cyclopentadiene|EINECS 208-835-4|HCp|Pentole|Pyropentylene|R-Pentine|UNII-5DFH9434HF|26912-33-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027191
ERPathway2016 ERPathway2016_1526 1,3-Cyclopentadiene 542-92-7 DTXSID0027191 ER Pathway Model, Antagonist Model Score 0 Unitless C1C=CC=C1 1,3-Cyclopentadiene 542-92-7|1,3-Cyclopentadiene|ciclopentadieno|CYCLOPENTA-1,3-DIENE|Cyclopentadien|Cyclopentadiene|EINECS 208-835-4|HCp|Pentole|Pyropentylene|R-Pentine|UNII-5DFH9434HF|26912-33-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027191
ERPathway2016 ERPathway2016_1526 1,3-Cyclopentadiene 542-92-7 DTXSID0027191 ER Pathway Model, Agonist Call Inactive Unitless C1C=CC=C1 1,3-Cyclopentadiene 542-92-7|1,3-Cyclopentadiene|ciclopentadieno|CYCLOPENTA-1,3-DIENE|Cyclopentadien|Cyclopentadiene|EINECS 208-835-4|HCp|Pentole|Pyropentylene|R-Pentine|UNII-5DFH9434HF|26912-33-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027191
ERPathway2016 ERPathway2016_1526 1,3-Cyclopentadiene 542-92-7 DTXSID0027191 ER Pathway Model, Antagonist Call Inactive Unitless C1C=CC=C1 1,3-Cyclopentadiene 542-92-7|1,3-Cyclopentadiene|ciclopentadieno|CYCLOPENTA-1,3-DIENE|Cyclopentadien|Cyclopentadiene|EINECS 208-835-4|HCp|Pentole|Pyropentylene|R-Pentine|UNII-5DFH9434HF|26912-33-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027191
ARPathway2016 ARPathway2016_1550 1,3-Dibromo-5,5-dimethylhydantoin 77-48-5 DTXSID3035341 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)N(Br)C(=O)N(Br)C1=O 1,3-Dibromo-5,5-dimethylhydantoin 77-48-5|1,3-Dibromo-5,5-dimethylhydantoin|1,3-Dibromo-5,5-dimethyl-2,4-imidazolidinedione|2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl-|5-24-05-00374|5,5-Dimethyl-1,3-dibromohydantoin|BRN 0146024|DBDMH|Dibromantin|Dibromantine|EINECS 201-030-9|EPA Pesticide Chemical Code 006317|N,N'-Dibromodimethylhydantoin|NSC 33305|Take Charge Orange|UNII-V9R5F9I7MZ|101650-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3035341
ARPathway2016 ARPathway2016_1550 1,3-Dibromo-5,5-dimethylhydantoin 77-48-5 DTXSID3035341 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)N(Br)C(=O)N(Br)C1=O 1,3-Dibromo-5,5-dimethylhydantoin 77-48-5|1,3-Dibromo-5,5-dimethylhydantoin|1,3-Dibromo-5,5-dimethyl-2,4-imidazolidinedione|2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl-|5-24-05-00374|5,5-Dimethyl-1,3-dibromohydantoin|BRN 0146024|DBDMH|Dibromantin|Dibromantine|EINECS 201-030-9|EPA Pesticide Chemical Code 006317|N,N'-Dibromodimethylhydantoin|NSC 33305|Take Charge Orange|UNII-V9R5F9I7MZ|101650-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3035341
ARPathway2016 ARPathway2016_1550 1,3-Dibromo-5,5-dimethylhydantoin 77-48-5 DTXSID3035341 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)N(Br)C(=O)N(Br)C1=O 1,3-Dibromo-5,5-dimethylhydantoin 77-48-5|1,3-Dibromo-5,5-dimethylhydantoin|1,3-Dibromo-5,5-dimethyl-2,4-imidazolidinedione|2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl-|5-24-05-00374|5,5-Dimethyl-1,3-dibromohydantoin|BRN 0146024|DBDMH|Dibromantin|Dibromantine|EINECS 201-030-9|EPA Pesticide Chemical Code 006317|N,N'-Dibromodimethylhydantoin|NSC 33305|Take Charge Orange|UNII-V9R5F9I7MZ|101650-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3035341
ARPathway2016 ARPathway2016_1550 1,3-Dibromo-5,5-dimethylhydantoin 77-48-5 DTXSID3035341 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)N(Br)C(=O)N(Br)C1=O 1,3-Dibromo-5,5-dimethylhydantoin 77-48-5|1,3-Dibromo-5,5-dimethylhydantoin|1,3-Dibromo-5,5-dimethyl-2,4-imidazolidinedione|2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl-|5-24-05-00374|5,5-Dimethyl-1,3-dibromohydantoin|BRN 0146024|DBDMH|Dibromantin|Dibromantine|EINECS 201-030-9|EPA Pesticide Chemical Code 006317|N,N'-Dibromodimethylhydantoin|NSC 33305|Take Charge Orange|UNII-V9R5F9I7MZ|101650-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3035341
ERPathway2016 ERPathway2016_908 1,3-Dibromo-5,5-dimethylhydantoin 77-48-5 DTXSID3035341 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)N(Br)C(=O)N(Br)C1=O 1,3-Dibromo-5,5-dimethylhydantoin 77-48-5|1,3-Dibromo-5,5-dimethylhydantoin|1,3-Dibromo-5,5-dimethyl-2,4-imidazolidinedione|2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl-|5-24-05-00374|5,5-Dimethyl-1,3-dibromohydantoin|BRN 0146024|DBDMH|Dibromantin|Dibromantine|EINECS 201-030-9|EPA Pesticide Chemical Code 006317|N,N'-Dibromodimethylhydantoin|NSC 33305|Take Charge Orange|UNII-V9R5F9I7MZ|101650-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3035341
ERPathway2016 ERPathway2016_908 1,3-Dibromo-5,5-dimethylhydantoin 77-48-5 DTXSID3035341 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)N(Br)C(=O)N(Br)C1=O 1,3-Dibromo-5,5-dimethylhydantoin 77-48-5|1,3-Dibromo-5,5-dimethylhydantoin|1,3-Dibromo-5,5-dimethyl-2,4-imidazolidinedione|2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl-|5-24-05-00374|5,5-Dimethyl-1,3-dibromohydantoin|BRN 0146024|DBDMH|Dibromantin|Dibromantine|EINECS 201-030-9|EPA Pesticide Chemical Code 006317|N,N'-Dibromodimethylhydantoin|NSC 33305|Take Charge Orange|UNII-V9R5F9I7MZ|101650-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3035341
ERPathway2016 ERPathway2016_908 1,3-Dibromo-5,5-dimethylhydantoin 77-48-5 DTXSID3035341 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)N(Br)C(=O)N(Br)C1=O 1,3-Dibromo-5,5-dimethylhydantoin 77-48-5|1,3-Dibromo-5,5-dimethylhydantoin|1,3-Dibromo-5,5-dimethyl-2,4-imidazolidinedione|2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl-|5-24-05-00374|5,5-Dimethyl-1,3-dibromohydantoin|BRN 0146024|DBDMH|Dibromantin|Dibromantine|EINECS 201-030-9|EPA Pesticide Chemical Code 006317|N,N'-Dibromodimethylhydantoin|NSC 33305|Take Charge Orange|UNII-V9R5F9I7MZ|101650-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3035341
ERPathway2016 ERPathway2016_908 1,3-Dibromo-5,5-dimethylhydantoin 77-48-5 DTXSID3035341 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)N(Br)C(=O)N(Br)C1=O 1,3-Dibromo-5,5-dimethylhydantoin 77-48-5|1,3-Dibromo-5,5-dimethylhydantoin|1,3-Dibromo-5,5-dimethyl-2,4-imidazolidinedione|2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl-|5-24-05-00374|5,5-Dimethyl-1,3-dibromohydantoin|BRN 0146024|DBDMH|Dibromantin|Dibromantine|EINECS 201-030-9|EPA Pesticide Chemical Code 006317|N,N'-Dibromodimethylhydantoin|NSC 33305|Take Charge Orange|UNII-V9R5F9I7MZ|101650-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3035341
ARPathway2016 ARPathway2016_1778 1,3-Dichloro-2-propanol 96-23-1 DTXSID6025010 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(CCl)CCl 1,3-Dichloro-2-propanol 96-23-1|1,3-Dichloro-2-propanol|1,3-DCP|1,3-DICHLOR-2-PROPANOL|1,3-dichloro-1,3-dideoxyglycerol|1,3-Dichloro-2-hydroxypropane|1,3-Dichlorohydrin|1,3-Dichloroisopropanol|1,3-Dichloroisopropyl alcohol|1,3-Dichloropropan-2-ol|1,3-dichloropropane-2-ol|1,3-dichloropropanol|1,3-Dichlorpropan-2-ol|1,3-dicloropropan-2-ol|2-Chloro-1-(chloromethyl)ethanol|2-Propanol, 1-3-dichloro-|2-Propanol, 1,3-dichloro-|4-01-00-01491|alpha-dichlorohydrin|alpha-Propenyldichlorohydrin|alpha,gamma-dichlorohydrin|Bis(chloromethyl)methanol|BRN 1732063|Dichlorohydrin|EINECS 202-491-9|Enodrin|Glycerol 1,3-dichlorohydrin|Glycerol alpha,gamma-dichlorohydrin|Glycerol a,g-dichlorohydrin|HOCH(CH2Cl)2|NSC 70982|PROPANE, 1,3-DICHLORO-2-HYDROXY-|PROPANOL, 1,3-DICHLORO-|Propylene dichlorohydrin|s-Dichloroisopropyl alcohol|s-Glycerol dichlorohydrin|sym-Dichloroisopropyl alcohol|sym-Glycerol dichlorohydrin|UN 2750|UNII-0F4P2VQC07|a-Dichlorohydrin|a,g-Dichlorohydrin|148584-48-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025010 https://doi.org/10.22427/NTP-DATA-DTXSID6025010
ARPathway2016 ARPathway2016_1778 1,3-Dichloro-2-propanol 96-23-1 DTXSID6025010 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(CCl)CCl 1,3-Dichloro-2-propanol 96-23-1|1,3-Dichloro-2-propanol|1,3-DCP|1,3-DICHLOR-2-PROPANOL|1,3-dichloro-1,3-dideoxyglycerol|1,3-Dichloro-2-hydroxypropane|1,3-Dichlorohydrin|1,3-Dichloroisopropanol|1,3-Dichloroisopropyl alcohol|1,3-Dichloropropan-2-ol|1,3-dichloropropane-2-ol|1,3-dichloropropanol|1,3-Dichlorpropan-2-ol|1,3-dicloropropan-2-ol|2-Chloro-1-(chloromethyl)ethanol|2-Propanol, 1-3-dichloro-|2-Propanol, 1,3-dichloro-|4-01-00-01491|alpha-dichlorohydrin|alpha-Propenyldichlorohydrin|alpha,gamma-dichlorohydrin|Bis(chloromethyl)methanol|BRN 1732063|Dichlorohydrin|EINECS 202-491-9|Enodrin|Glycerol 1,3-dichlorohydrin|Glycerol alpha,gamma-dichlorohydrin|Glycerol a,g-dichlorohydrin|HOCH(CH2Cl)2|NSC 70982|PROPANE, 1,3-DICHLORO-2-HYDROXY-|PROPANOL, 1,3-DICHLORO-|Propylene dichlorohydrin|s-Dichloroisopropyl alcohol|s-Glycerol dichlorohydrin|sym-Dichloroisopropyl alcohol|sym-Glycerol dichlorohydrin|UN 2750|UNII-0F4P2VQC07|a-Dichlorohydrin|a,g-Dichlorohydrin|148584-48-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025010 https://doi.org/10.22427/NTP-DATA-DTXSID6025010
ARPathway2016 ARPathway2016_1778 1,3-Dichloro-2-propanol 96-23-1 DTXSID6025010 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(CCl)CCl 1,3-Dichloro-2-propanol 96-23-1|1,3-Dichloro-2-propanol|1,3-DCP|1,3-DICHLOR-2-PROPANOL|1,3-dichloro-1,3-dideoxyglycerol|1,3-Dichloro-2-hydroxypropane|1,3-Dichlorohydrin|1,3-Dichloroisopropanol|1,3-Dichloroisopropyl alcohol|1,3-Dichloropropan-2-ol|1,3-dichloropropane-2-ol|1,3-dichloropropanol|1,3-Dichlorpropan-2-ol|1,3-dicloropropan-2-ol|2-Chloro-1-(chloromethyl)ethanol|2-Propanol, 1-3-dichloro-|2-Propanol, 1,3-dichloro-|4-01-00-01491|alpha-dichlorohydrin|alpha-Propenyldichlorohydrin|alpha,gamma-dichlorohydrin|Bis(chloromethyl)methanol|BRN 1732063|Dichlorohydrin|EINECS 202-491-9|Enodrin|Glycerol 1,3-dichlorohydrin|Glycerol alpha,gamma-dichlorohydrin|Glycerol a,g-dichlorohydrin|HOCH(CH2Cl)2|NSC 70982|PROPANE, 1,3-DICHLORO-2-HYDROXY-|PROPANOL, 1,3-DICHLORO-|Propylene dichlorohydrin|s-Dichloroisopropyl alcohol|s-Glycerol dichlorohydrin|sym-Dichloroisopropyl alcohol|sym-Glycerol dichlorohydrin|UN 2750|UNII-0F4P2VQC07|a-Dichlorohydrin|a,g-Dichlorohydrin|148584-48-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025010 https://doi.org/10.22427/NTP-DATA-DTXSID6025010
ARPathway2016 ARPathway2016_1778 1,3-Dichloro-2-propanol 96-23-1 DTXSID6025010 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(CCl)CCl 1,3-Dichloro-2-propanol 96-23-1|1,3-Dichloro-2-propanol|1,3-DCP|1,3-DICHLOR-2-PROPANOL|1,3-dichloro-1,3-dideoxyglycerol|1,3-Dichloro-2-hydroxypropane|1,3-Dichlorohydrin|1,3-Dichloroisopropanol|1,3-Dichloroisopropyl alcohol|1,3-Dichloropropan-2-ol|1,3-dichloropropane-2-ol|1,3-dichloropropanol|1,3-Dichlorpropan-2-ol|1,3-dicloropropan-2-ol|2-Chloro-1-(chloromethyl)ethanol|2-Propanol, 1-3-dichloro-|2-Propanol, 1,3-dichloro-|4-01-00-01491|alpha-dichlorohydrin|alpha-Propenyldichlorohydrin|alpha,gamma-dichlorohydrin|Bis(chloromethyl)methanol|BRN 1732063|Dichlorohydrin|EINECS 202-491-9|Enodrin|Glycerol 1,3-dichlorohydrin|Glycerol alpha,gamma-dichlorohydrin|Glycerol a,g-dichlorohydrin|HOCH(CH2Cl)2|NSC 70982|PROPANE, 1,3-DICHLORO-2-HYDROXY-|PROPANOL, 1,3-DICHLORO-|Propylene dichlorohydrin|s-Dichloroisopropyl alcohol|s-Glycerol dichlorohydrin|sym-Dichloroisopropyl alcohol|sym-Glycerol dichlorohydrin|UN 2750|UNII-0F4P2VQC07|a-Dichlorohydrin|a,g-Dichlorohydrin|148584-48-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025010 https://doi.org/10.22427/NTP-DATA-DTXSID6025010
ERPathway2016 ERPathway2016_1776 1,3-Dichloro-2-propanol 96-23-1 DTXSID6025010 ER Pathway Model, Agonist Model Score 0 Unitless OC(CCl)CCl 1,3-Dichloro-2-propanol 96-23-1|1,3-Dichloro-2-propanol|1,3-DCP|1,3-DICHLOR-2-PROPANOL|1,3-dichloro-1,3-dideoxyglycerol|1,3-Dichloro-2-hydroxypropane|1,3-Dichlorohydrin|1,3-Dichloroisopropanol|1,3-Dichloroisopropyl alcohol|1,3-Dichloropropan-2-ol|1,3-dichloropropane-2-ol|1,3-dichloropropanol|1,3-Dichlorpropan-2-ol|1,3-dicloropropan-2-ol|2-Chloro-1-(chloromethyl)ethanol|2-Propanol, 1-3-dichloro-|2-Propanol, 1,3-dichloro-|4-01-00-01491|alpha-dichlorohydrin|alpha-Propenyldichlorohydrin|alpha,gamma-dichlorohydrin|Bis(chloromethyl)methanol|BRN 1732063|Dichlorohydrin|EINECS 202-491-9|Enodrin|Glycerol 1,3-dichlorohydrin|Glycerol alpha,gamma-dichlorohydrin|Glycerol a,g-dichlorohydrin|HOCH(CH2Cl)2|NSC 70982|PROPANE, 1,3-DICHLORO-2-HYDROXY-|PROPANOL, 1,3-DICHLORO-|Propylene dichlorohydrin|s-Dichloroisopropyl alcohol|s-Glycerol dichlorohydrin|sym-Dichloroisopropyl alcohol|sym-Glycerol dichlorohydrin|UN 2750|UNII-0F4P2VQC07|a-Dichlorohydrin|a,g-Dichlorohydrin|148584-48-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025010 https://doi.org/10.22427/NTP-DATA-DTXSID6025010
ERPathway2016 ERPathway2016_1776 1,3-Dichloro-2-propanol 96-23-1 DTXSID6025010 ER Pathway Model, Antagonist Model Score 0 Unitless OC(CCl)CCl 1,3-Dichloro-2-propanol 96-23-1|1,3-Dichloro-2-propanol|1,3-DCP|1,3-DICHLOR-2-PROPANOL|1,3-dichloro-1,3-dideoxyglycerol|1,3-Dichloro-2-hydroxypropane|1,3-Dichlorohydrin|1,3-Dichloroisopropanol|1,3-Dichloroisopropyl alcohol|1,3-Dichloropropan-2-ol|1,3-dichloropropane-2-ol|1,3-dichloropropanol|1,3-Dichlorpropan-2-ol|1,3-dicloropropan-2-ol|2-Chloro-1-(chloromethyl)ethanol|2-Propanol, 1-3-dichloro-|2-Propanol, 1,3-dichloro-|4-01-00-01491|alpha-dichlorohydrin|alpha-Propenyldichlorohydrin|alpha,gamma-dichlorohydrin|Bis(chloromethyl)methanol|BRN 1732063|Dichlorohydrin|EINECS 202-491-9|Enodrin|Glycerol 1,3-dichlorohydrin|Glycerol alpha,gamma-dichlorohydrin|Glycerol a,g-dichlorohydrin|HOCH(CH2Cl)2|NSC 70982|PROPANE, 1,3-DICHLORO-2-HYDROXY-|PROPANOL, 1,3-DICHLORO-|Propylene dichlorohydrin|s-Dichloroisopropyl alcohol|s-Glycerol dichlorohydrin|sym-Dichloroisopropyl alcohol|sym-Glycerol dichlorohydrin|UN 2750|UNII-0F4P2VQC07|a-Dichlorohydrin|a,g-Dichlorohydrin|148584-48-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025010 https://doi.org/10.22427/NTP-DATA-DTXSID6025010
ERPathway2016 ERPathway2016_1776 1,3-Dichloro-2-propanol 96-23-1 DTXSID6025010 ER Pathway Model, Agonist Call Inactive Unitless OC(CCl)CCl 1,3-Dichloro-2-propanol 96-23-1|1,3-Dichloro-2-propanol|1,3-DCP|1,3-DICHLOR-2-PROPANOL|1,3-dichloro-1,3-dideoxyglycerol|1,3-Dichloro-2-hydroxypropane|1,3-Dichlorohydrin|1,3-Dichloroisopropanol|1,3-Dichloroisopropyl alcohol|1,3-Dichloropropan-2-ol|1,3-dichloropropane-2-ol|1,3-dichloropropanol|1,3-Dichlorpropan-2-ol|1,3-dicloropropan-2-ol|2-Chloro-1-(chloromethyl)ethanol|2-Propanol, 1-3-dichloro-|2-Propanol, 1,3-dichloro-|4-01-00-01491|alpha-dichlorohydrin|alpha-Propenyldichlorohydrin|alpha,gamma-dichlorohydrin|Bis(chloromethyl)methanol|BRN 1732063|Dichlorohydrin|EINECS 202-491-9|Enodrin|Glycerol 1,3-dichlorohydrin|Glycerol alpha,gamma-dichlorohydrin|Glycerol a,g-dichlorohydrin|HOCH(CH2Cl)2|NSC 70982|PROPANE, 1,3-DICHLORO-2-HYDROXY-|PROPANOL, 1,3-DICHLORO-|Propylene dichlorohydrin|s-Dichloroisopropyl alcohol|s-Glycerol dichlorohydrin|sym-Dichloroisopropyl alcohol|sym-Glycerol dichlorohydrin|UN 2750|UNII-0F4P2VQC07|a-Dichlorohydrin|a,g-Dichlorohydrin|148584-48-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025010 https://doi.org/10.22427/NTP-DATA-DTXSID6025010
ERPathway2016 ERPathway2016_1776 1,3-Dichloro-2-propanol 96-23-1 DTXSID6025010 ER Pathway Model, Antagonist Call Inactive Unitless OC(CCl)CCl 1,3-Dichloro-2-propanol 96-23-1|1,3-Dichloro-2-propanol|1,3-DCP|1,3-DICHLOR-2-PROPANOL|1,3-dichloro-1,3-dideoxyglycerol|1,3-Dichloro-2-hydroxypropane|1,3-Dichlorohydrin|1,3-Dichloroisopropanol|1,3-Dichloroisopropyl alcohol|1,3-Dichloropropan-2-ol|1,3-dichloropropane-2-ol|1,3-dichloropropanol|1,3-Dichlorpropan-2-ol|1,3-dicloropropan-2-ol|2-Chloro-1-(chloromethyl)ethanol|2-Propanol, 1-3-dichloro-|2-Propanol, 1,3-dichloro-|4-01-00-01491|alpha-dichlorohydrin|alpha-Propenyldichlorohydrin|alpha,gamma-dichlorohydrin|Bis(chloromethyl)methanol|BRN 1732063|Dichlorohydrin|EINECS 202-491-9|Enodrin|Glycerol 1,3-dichlorohydrin|Glycerol alpha,gamma-dichlorohydrin|Glycerol a,g-dichlorohydrin|HOCH(CH2Cl)2|NSC 70982|PROPANE, 1,3-DICHLORO-2-HYDROXY-|PROPANOL, 1,3-DICHLORO-|Propylene dichlorohydrin|s-Dichloroisopropyl alcohol|s-Glycerol dichlorohydrin|sym-Dichloroisopropyl alcohol|sym-Glycerol dichlorohydrin|UN 2750|UNII-0F4P2VQC07|a-Dichlorohydrin|a,g-Dichlorohydrin|148584-48-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025010 https://doi.org/10.22427/NTP-DATA-DTXSID6025010
ARPathway2016 ARPathway2016_645 1,3-Dichloro-5,5-dimethylhydantoin 118-52-5 DTXSID4024985 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)N(Cl)C(=O)N(Cl)C1=O 1,3-Dichloro-5,5-dimethylhydantoin 118-52-5|1,3-Dichloro-5,5-dimethylhydantoin|1,3-DICHLOR-5,5-DIMETHYL-HYDANTOIN|1,3-Dichlor-5,5-dimethylhydantoin|1,3-Dichloro-5,5-dimethyl hydantoin|1,3-Dichloro-5,5-dimethyl-2,4-imidazolidinedione|1,3-Dichloro-5,5-dimethylhydantoine|1,3-Dichloro-5,5'-methylhydantoin|1,3-dicloro-5,5-dimetilhidantoina|1,3-Dwuchloro-5,5-dwumetylohydantoina|2,4-Imidazolidinedione, 1,3-dichloro-5,5-dimethyl-|5-24-05-00373|BRN 0146013|Caswell No. 306|Dantochlor RW|Dantoin|Dichlorantin|Dichlorodimethylhydantoin|Dwuchlorantyny|EINECS 204-258-7|EPA Pesticide Chemical Code 028501|HYDANTOIN, 1,3-DICHLORO-5,5-DIMETHYL-|Hydantoin, dichlorodimethyl-|N,N'-Dichloro-5,5-dimethylhydantoin|N,N'-Dichlorodimethylhydantoin|NCI-C03054|NSC 33307|NSC 38630|Omchlor|UNII-70H8B2WWTU https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024985 https://doi.org/10.22427/NTP-DATA-DTXSID4024985
ARPathway2016 ARPathway2016_645 1,3-Dichloro-5,5-dimethylhydantoin 118-52-5 DTXSID4024985 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)N(Cl)C(=O)N(Cl)C1=O 1,3-Dichloro-5,5-dimethylhydantoin 118-52-5|1,3-Dichloro-5,5-dimethylhydantoin|1,3-DICHLOR-5,5-DIMETHYL-HYDANTOIN|1,3-Dichlor-5,5-dimethylhydantoin|1,3-Dichloro-5,5-dimethyl hydantoin|1,3-Dichloro-5,5-dimethyl-2,4-imidazolidinedione|1,3-Dichloro-5,5-dimethylhydantoine|1,3-Dichloro-5,5'-methylhydantoin|1,3-dicloro-5,5-dimetilhidantoina|1,3-Dwuchloro-5,5-dwumetylohydantoina|2,4-Imidazolidinedione, 1,3-dichloro-5,5-dimethyl-|5-24-05-00373|BRN 0146013|Caswell No. 306|Dantochlor RW|Dantoin|Dichlorantin|Dichlorodimethylhydantoin|Dwuchlorantyny|EINECS 204-258-7|EPA Pesticide Chemical Code 028501|HYDANTOIN, 1,3-DICHLORO-5,5-DIMETHYL-|Hydantoin, dichlorodimethyl-|N,N'-Dichloro-5,5-dimethylhydantoin|N,N'-Dichlorodimethylhydantoin|NCI-C03054|NSC 33307|NSC 38630|Omchlor|UNII-70H8B2WWTU https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024985 https://doi.org/10.22427/NTP-DATA-DTXSID4024985
ARPathway2016 ARPathway2016_645 1,3-Dichloro-5,5-dimethylhydantoin 118-52-5 DTXSID4024985 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)N(Cl)C(=O)N(Cl)C1=O 1,3-Dichloro-5,5-dimethylhydantoin 118-52-5|1,3-Dichloro-5,5-dimethylhydantoin|1,3-DICHLOR-5,5-DIMETHYL-HYDANTOIN|1,3-Dichlor-5,5-dimethylhydantoin|1,3-Dichloro-5,5-dimethyl hydantoin|1,3-Dichloro-5,5-dimethyl-2,4-imidazolidinedione|1,3-Dichloro-5,5-dimethylhydantoine|1,3-Dichloro-5,5'-methylhydantoin|1,3-dicloro-5,5-dimetilhidantoina|1,3-Dwuchloro-5,5-dwumetylohydantoina|2,4-Imidazolidinedione, 1,3-dichloro-5,5-dimethyl-|5-24-05-00373|BRN 0146013|Caswell No. 306|Dantochlor RW|Dantoin|Dichlorantin|Dichlorodimethylhydantoin|Dwuchlorantyny|EINECS 204-258-7|EPA Pesticide Chemical Code 028501|HYDANTOIN, 1,3-DICHLORO-5,5-DIMETHYL-|Hydantoin, dichlorodimethyl-|N,N'-Dichloro-5,5-dimethylhydantoin|N,N'-Dichlorodimethylhydantoin|NCI-C03054|NSC 33307|NSC 38630|Omchlor|UNII-70H8B2WWTU https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024985 https://doi.org/10.22427/NTP-DATA-DTXSID4024985
ARPathway2016 ARPathway2016_645 1,3-Dichloro-5,5-dimethylhydantoin 118-52-5 DTXSID4024985 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)N(Cl)C(=O)N(Cl)C1=O 1,3-Dichloro-5,5-dimethylhydantoin 118-52-5|1,3-Dichloro-5,5-dimethylhydantoin|1,3-DICHLOR-5,5-DIMETHYL-HYDANTOIN|1,3-Dichlor-5,5-dimethylhydantoin|1,3-Dichloro-5,5-dimethyl hydantoin|1,3-Dichloro-5,5-dimethyl-2,4-imidazolidinedione|1,3-Dichloro-5,5-dimethylhydantoine|1,3-Dichloro-5,5'-methylhydantoin|1,3-dicloro-5,5-dimetilhidantoina|1,3-Dwuchloro-5,5-dwumetylohydantoina|2,4-Imidazolidinedione, 1,3-dichloro-5,5-dimethyl-|5-24-05-00373|BRN 0146013|Caswell No. 306|Dantochlor RW|Dantoin|Dichlorantin|Dichlorodimethylhydantoin|Dwuchlorantyny|EINECS 204-258-7|EPA Pesticide Chemical Code 028501|HYDANTOIN, 1,3-DICHLORO-5,5-DIMETHYL-|Hydantoin, dichlorodimethyl-|N,N'-Dichloro-5,5-dimethylhydantoin|N,N'-Dichlorodimethylhydantoin|NCI-C03054|NSC 33307|NSC 38630|Omchlor|UNII-70H8B2WWTU https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024985 https://doi.org/10.22427/NTP-DATA-DTXSID4024985
ERPathway2016 ERPathway2016_1197 1,3-Dichloro-5,5-dimethylhydantoin 118-52-5 DTXSID4024985 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)N(Cl)C(=O)N(Cl)C1=O 1,3-Dichloro-5,5-dimethylhydantoin 118-52-5|1,3-Dichloro-5,5-dimethylhydantoin|1,3-DICHLOR-5,5-DIMETHYL-HYDANTOIN|1,3-Dichlor-5,5-dimethylhydantoin|1,3-Dichloro-5,5-dimethyl hydantoin|1,3-Dichloro-5,5-dimethyl-2,4-imidazolidinedione|1,3-Dichloro-5,5-dimethylhydantoine|1,3-Dichloro-5,5'-methylhydantoin|1,3-dicloro-5,5-dimetilhidantoina|1,3-Dwuchloro-5,5-dwumetylohydantoina|2,4-Imidazolidinedione, 1,3-dichloro-5,5-dimethyl-|5-24-05-00373|BRN 0146013|Caswell No. 306|Dantochlor RW|Dantoin|Dichlorantin|Dichlorodimethylhydantoin|Dwuchlorantyny|EINECS 204-258-7|EPA Pesticide Chemical Code 028501|HYDANTOIN, 1,3-DICHLORO-5,5-DIMETHYL-|Hydantoin, dichlorodimethyl-|N,N'-Dichloro-5,5-dimethylhydantoin|N,N'-Dichlorodimethylhydantoin|NCI-C03054|NSC 33307|NSC 38630|Omchlor|UNII-70H8B2WWTU https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024985 https://doi.org/10.22427/NTP-DATA-DTXSID4024985
ERPathway2016 ERPathway2016_1197 1,3-Dichloro-5,5-dimethylhydantoin 118-52-5 DTXSID4024985 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)N(Cl)C(=O)N(Cl)C1=O 1,3-Dichloro-5,5-dimethylhydantoin 118-52-5|1,3-Dichloro-5,5-dimethylhydantoin|1,3-DICHLOR-5,5-DIMETHYL-HYDANTOIN|1,3-Dichlor-5,5-dimethylhydantoin|1,3-Dichloro-5,5-dimethyl hydantoin|1,3-Dichloro-5,5-dimethyl-2,4-imidazolidinedione|1,3-Dichloro-5,5-dimethylhydantoine|1,3-Dichloro-5,5'-methylhydantoin|1,3-dicloro-5,5-dimetilhidantoina|1,3-Dwuchloro-5,5-dwumetylohydantoina|2,4-Imidazolidinedione, 1,3-dichloro-5,5-dimethyl-|5-24-05-00373|BRN 0146013|Caswell No. 306|Dantochlor RW|Dantoin|Dichlorantin|Dichlorodimethylhydantoin|Dwuchlorantyny|EINECS 204-258-7|EPA Pesticide Chemical Code 028501|HYDANTOIN, 1,3-DICHLORO-5,5-DIMETHYL-|Hydantoin, dichlorodimethyl-|N,N'-Dichloro-5,5-dimethylhydantoin|N,N'-Dichlorodimethylhydantoin|NCI-C03054|NSC 33307|NSC 38630|Omchlor|UNII-70H8B2WWTU https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024985 https://doi.org/10.22427/NTP-DATA-DTXSID4024985
ERPathway2016 ERPathway2016_1197 1,3-Dichloro-5,5-dimethylhydantoin 118-52-5 DTXSID4024985 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)N(Cl)C(=O)N(Cl)C1=O 1,3-Dichloro-5,5-dimethylhydantoin 118-52-5|1,3-Dichloro-5,5-dimethylhydantoin|1,3-DICHLOR-5,5-DIMETHYL-HYDANTOIN|1,3-Dichlor-5,5-dimethylhydantoin|1,3-Dichloro-5,5-dimethyl hydantoin|1,3-Dichloro-5,5-dimethyl-2,4-imidazolidinedione|1,3-Dichloro-5,5-dimethylhydantoine|1,3-Dichloro-5,5'-methylhydantoin|1,3-dicloro-5,5-dimetilhidantoina|1,3-Dwuchloro-5,5-dwumetylohydantoina|2,4-Imidazolidinedione, 1,3-dichloro-5,5-dimethyl-|5-24-05-00373|BRN 0146013|Caswell No. 306|Dantochlor RW|Dantoin|Dichlorantin|Dichlorodimethylhydantoin|Dwuchlorantyny|EINECS 204-258-7|EPA Pesticide Chemical Code 028501|HYDANTOIN, 1,3-DICHLORO-5,5-DIMETHYL-|Hydantoin, dichlorodimethyl-|N,N'-Dichloro-5,5-dimethylhydantoin|N,N'-Dichlorodimethylhydantoin|NCI-C03054|NSC 33307|NSC 38630|Omchlor|UNII-70H8B2WWTU https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024985 https://doi.org/10.22427/NTP-DATA-DTXSID4024985
ERPathway2016 ERPathway2016_1197 1,3-Dichloro-5,5-dimethylhydantoin 118-52-5 DTXSID4024985 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)N(Cl)C(=O)N(Cl)C1=O 1,3-Dichloro-5,5-dimethylhydantoin 118-52-5|1,3-Dichloro-5,5-dimethylhydantoin|1,3-DICHLOR-5,5-DIMETHYL-HYDANTOIN|1,3-Dichlor-5,5-dimethylhydantoin|1,3-Dichloro-5,5-dimethyl hydantoin|1,3-Dichloro-5,5-dimethyl-2,4-imidazolidinedione|1,3-Dichloro-5,5-dimethylhydantoine|1,3-Dichloro-5,5'-methylhydantoin|1,3-dicloro-5,5-dimetilhidantoina|1,3-Dwuchloro-5,5-dwumetylohydantoina|2,4-Imidazolidinedione, 1,3-dichloro-5,5-dimethyl-|5-24-05-00373|BRN 0146013|Caswell No. 306|Dantochlor RW|Dantoin|Dichlorantin|Dichlorodimethylhydantoin|Dwuchlorantyny|EINECS 204-258-7|EPA Pesticide Chemical Code 028501|HYDANTOIN, 1,3-DICHLORO-5,5-DIMETHYL-|Hydantoin, dichlorodimethyl-|N,N'-Dichloro-5,5-dimethylhydantoin|N,N'-Dichlorodimethylhydantoin|NCI-C03054|NSC 33307|NSC 38630|Omchlor|UNII-70H8B2WWTU https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024985 https://doi.org/10.22427/NTP-DATA-DTXSID4024985
ARPathway2016 ARPathway2016_874 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1) 149062-75-9 DTXSID9047259 1.0 A1 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.ClC1=CC2=C(CN3CCCCCC3=N2)C(Cl)=C1 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1) 149062-75-9|1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1)|0142676|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b][5-14C]quinazoline monohydrochloride|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline HCl (1:1)|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1)|PharmaGSID_47259 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047259
ARPathway2016 ARPathway2016_874 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1) 149062-75-9 DTXSID9047259 1.0 A1 AR Pathway Model, Agonist Model Score 0 Unitless Cl.ClC1=CC2=C(CN3CCCCCC3=N2)C(Cl)=C1 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1) 149062-75-9|1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1)|0142676|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b][5-14C]quinazoline monohydrochloride|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline HCl (1:1)|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1)|PharmaGSID_47259 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047259
ARPathway2016 ARPathway2016_874 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1) 149062-75-9 DTXSID9047259 1.0 A1 AR Pathway Model, Agonist Call Inactive Unitless Cl.ClC1=CC2=C(CN3CCCCCC3=N2)C(Cl)=C1 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1) 149062-75-9|1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1)|0142676|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b][5-14C]quinazoline monohydrochloride|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline HCl (1:1)|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1)|PharmaGSID_47259 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047259
ARPathway2016 ARPathway2016_874 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1) 149062-75-9 DTXSID9047259 1.0 A1 AR Pathway Model, Antagonist Call Inactive Unitless Cl.ClC1=CC2=C(CN3CCCCCC3=N2)C(Cl)=C1 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1) 149062-75-9|1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1)|0142676|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b][5-14C]quinazoline monohydrochloride|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline HCl (1:1)|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1)|PharmaGSID_47259 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047259
ERPathway2016 ERPathway2016_961 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1) 149062-75-9 DTXSID9047259 A15 ER Pathway Model, Agonist Model Score 0 Unitless Cl.ClC1=CC2=C(CN3CCCCCC3=N2)C(Cl)=C1 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1) 149062-75-9|1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1)|0142676|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b][5-14C]quinazoline monohydrochloride|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline HCl (1:1)|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1)|PharmaGSID_47259 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047259
ERPathway2016 ERPathway2016_961 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1) 149062-75-9 DTXSID9047259 A15 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.ClC1=CC2=C(CN3CCCCCC3=N2)C(Cl)=C1 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1) 149062-75-9|1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1)|0142676|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b][5-14C]quinazoline monohydrochloride|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline HCl (1:1)|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1)|PharmaGSID_47259 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047259
ERPathway2016 ERPathway2016_961 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1) 149062-75-9 DTXSID9047259 A15 ER Pathway Model, Agonist Call Inactive Unitless Cl.ClC1=CC2=C(CN3CCCCCC3=N2)C(Cl)=C1 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1) 149062-75-9|1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1)|0142676|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b][5-14C]quinazoline monohydrochloride|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline HCl (1:1)|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1)|PharmaGSID_47259 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047259
ERPathway2016 ERPathway2016_961 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1) 149062-75-9 DTXSID9047259 A15 ER Pathway Model, Antagonist Call Inactive Unitless Cl.ClC1=CC2=C(CN3CCCCCC3=N2)C(Cl)=C1 1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1) 149062-75-9|1,3-Dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1)|0142676|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b][5-14C]quinazoline monohydrochloride|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline HCl (1:1)|1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline hydrochloride (1:1)|PharmaGSID_47259 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047259
ARPathway2016 ARPathway2016_1305 1,3-Dichlorobenzene 541-73-1 DTXSID6022056 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC(Cl)=CC=C1 1,3-Dichlorobenzene 541-73-1|1,3-Dichlorobenzene|1,3-Dichlorbenzol|1,3-diclorobenceno|2,4-Dichlorobenzene|2,6-Dichlorobenzene|Benzene, 1,3-dichloro-|Benzene, m-dichloro-|EINECS 208-792-1|m-Dichlorbenzol|m-Dichlorobenzene|m-Dichlorobenzol|m-Phenylene dichloride|m-Phenylenedichloride|meta-Dichlorobenzene|metadichlorobenzene|NSC 8754|UNII-75W0WNE5FP https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022056 https://doi.org/10.22427/NTP-DATA-DTXSID6022056
ARPathway2016 ARPathway2016_1305 1,3-Dichlorobenzene 541-73-1 DTXSID6022056 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC(Cl)=CC=C1 1,3-Dichlorobenzene 541-73-1|1,3-Dichlorobenzene|1,3-Dichlorbenzol|1,3-diclorobenceno|2,4-Dichlorobenzene|2,6-Dichlorobenzene|Benzene, 1,3-dichloro-|Benzene, m-dichloro-|EINECS 208-792-1|m-Dichlorbenzol|m-Dichlorobenzene|m-Dichlorobenzol|m-Phenylene dichloride|m-Phenylenedichloride|meta-Dichlorobenzene|metadichlorobenzene|NSC 8754|UNII-75W0WNE5FP https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022056 https://doi.org/10.22427/NTP-DATA-DTXSID6022056
ARPathway2016 ARPathway2016_1305 1,3-Dichlorobenzene 541-73-1 DTXSID6022056 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Inactive Unitless ClC1=CC(Cl)=CC=C1 1,3-Dichlorobenzene 541-73-1|1,3-Dichlorobenzene|1,3-Dichlorbenzol|1,3-diclorobenceno|2,4-Dichlorobenzene|2,6-Dichlorobenzene|Benzene, 1,3-dichloro-|Benzene, m-dichloro-|EINECS 208-792-1|m-Dichlorbenzol|m-Dichlorobenzene|m-Dichlorobenzol|m-Phenylene dichloride|m-Phenylenedichloride|meta-Dichlorobenzene|metadichlorobenzene|NSC 8754|UNII-75W0WNE5FP https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022056 https://doi.org/10.22427/NTP-DATA-DTXSID6022056
ARPathway2016 ARPathway2016_1305 1,3-Dichlorobenzene 541-73-1 DTXSID6022056 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC(Cl)=CC=C1 1,3-Dichlorobenzene 541-73-1|1,3-Dichlorobenzene|1,3-Dichlorbenzol|1,3-diclorobenceno|2,4-Dichlorobenzene|2,6-Dichlorobenzene|Benzene, 1,3-dichloro-|Benzene, m-dichloro-|EINECS 208-792-1|m-Dichlorbenzol|m-Dichlorobenzene|m-Dichlorobenzol|m-Phenylene dichloride|m-Phenylenedichloride|meta-Dichlorobenzene|metadichlorobenzene|NSC 8754|UNII-75W0WNE5FP https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022056 https://doi.org/10.22427/NTP-DATA-DTXSID6022056
ERPathway2016 ERPathway2016_1525 1,3-Dichlorobenzene 541-73-1 DTXSID6022056 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=CC(Cl)=CC=C1 1,3-Dichlorobenzene 541-73-1|1,3-Dichlorobenzene|1,3-Dichlorbenzol|1,3-diclorobenceno|2,4-Dichlorobenzene|2,6-Dichlorobenzene|Benzene, 1,3-dichloro-|Benzene, m-dichloro-|EINECS 208-792-1|m-Dichlorbenzol|m-Dichlorobenzene|m-Dichlorobenzol|m-Phenylene dichloride|m-Phenylenedichloride|meta-Dichlorobenzene|metadichlorobenzene|NSC 8754|UNII-75W0WNE5FP https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022056 https://doi.org/10.22427/NTP-DATA-DTXSID6022056
ERPathway2016 ERPathway2016_1525 1,3-Dichlorobenzene 541-73-1 DTXSID6022056 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC(Cl)=CC=C1 1,3-Dichlorobenzene 541-73-1|1,3-Dichlorobenzene|1,3-Dichlorbenzol|1,3-diclorobenceno|2,4-Dichlorobenzene|2,6-Dichlorobenzene|Benzene, 1,3-dichloro-|Benzene, m-dichloro-|EINECS 208-792-1|m-Dichlorbenzol|m-Dichlorobenzene|m-Dichlorobenzol|m-Phenylene dichloride|m-Phenylenedichloride|meta-Dichlorobenzene|metadichlorobenzene|NSC 8754|UNII-75W0WNE5FP https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022056 https://doi.org/10.22427/NTP-DATA-DTXSID6022056
ERPathway2016 ERPathway2016_1525 1,3-Dichlorobenzene 541-73-1 DTXSID6022056 ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC(Cl)=CC=C1 1,3-Dichlorobenzene 541-73-1|1,3-Dichlorobenzene|1,3-Dichlorbenzol|1,3-diclorobenceno|2,4-Dichlorobenzene|2,6-Dichlorobenzene|Benzene, 1,3-dichloro-|Benzene, m-dichloro-|EINECS 208-792-1|m-Dichlorbenzol|m-Dichlorobenzene|m-Dichlorobenzol|m-Phenylene dichloride|m-Phenylenedichloride|meta-Dichlorobenzene|metadichlorobenzene|NSC 8754|UNII-75W0WNE5FP https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022056 https://doi.org/10.22427/NTP-DATA-DTXSID6022056
ERPathway2016 ERPathway2016_1525 1,3-Dichlorobenzene 541-73-1 DTXSID6022056 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=CC(Cl)=CC=C1 1,3-Dichlorobenzene 541-73-1|1,3-Dichlorobenzene|1,3-Dichlorbenzol|1,3-diclorobenceno|2,4-Dichlorobenzene|2,6-Dichlorobenzene|Benzene, 1,3-dichloro-|Benzene, m-dichloro-|EINECS 208-792-1|m-Dichlorbenzol|m-Dichlorobenzene|m-Dichlorobenzol|m-Phenylene dichloride|m-Phenylenedichloride|meta-Dichlorobenzene|metadichlorobenzene|NSC 8754|UNII-75W0WNE5FP https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022056 https://doi.org/10.22427/NTP-DATA-DTXSID6022056
ARPathway2016 ARPathway2016_1818 1,3-Diisopropylbenzene 99-62-7 DTXSID8026640 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC(=CC=C1)C(C)C 1,3-Diisopropylbenzene 99-62-7|1,3-Diisopropylbenzene|1,3-Bis(1-methylethyl)benzene|Benzene, 1,3-bis(1-methylethyl)-|BRN 1905828|EINECS 202-773-1|m-Diisopropylbenzene|m-Diisopropylbenzol|UNII-482VXW192E https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026640
ARPathway2016 ARPathway2016_1818 1,3-Diisopropylbenzene 99-62-7 DTXSID8026640 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CC(=CC=C1)C(C)C 1,3-Diisopropylbenzene 99-62-7|1,3-Diisopropylbenzene|1,3-Bis(1-methylethyl)benzene|Benzene, 1,3-bis(1-methylethyl)-|BRN 1905828|EINECS 202-773-1|m-Diisopropylbenzene|m-Diisopropylbenzol|UNII-482VXW192E https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026640
ARPathway2016 ARPathway2016_1818 1,3-Diisopropylbenzene 99-62-7 DTXSID8026640 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC(=CC=C1)C(C)C 1,3-Diisopropylbenzene 99-62-7|1,3-Diisopropylbenzene|1,3-Bis(1-methylethyl)benzene|Benzene, 1,3-bis(1-methylethyl)-|BRN 1905828|EINECS 202-773-1|m-Diisopropylbenzene|m-Diisopropylbenzol|UNII-482VXW192E https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026640
ARPathway2016 ARPathway2016_1818 1,3-Diisopropylbenzene 99-62-7 DTXSID8026640 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC(=CC=C1)C(C)C 1,3-Diisopropylbenzene 99-62-7|1,3-Diisopropylbenzene|1,3-Bis(1-methylethyl)benzene|Benzene, 1,3-bis(1-methylethyl)-|BRN 1905828|EINECS 202-773-1|m-Diisopropylbenzene|m-Diisopropylbenzol|UNII-482VXW192E https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026640
ERPathway2016 ERPathway2016_1798 1,3-Diisopropylbenzene 99-62-7 DTXSID8026640 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CC(=CC=C1)C(C)C 1,3-Diisopropylbenzene 99-62-7|1,3-Diisopropylbenzene|1,3-Bis(1-methylethyl)benzene|Benzene, 1,3-bis(1-methylethyl)-|BRN 1905828|EINECS 202-773-1|m-Diisopropylbenzene|m-Diisopropylbenzol|UNII-482VXW192E https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026640
ERPathway2016 ERPathway2016_1798 1,3-Diisopropylbenzene 99-62-7 DTXSID8026640 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC(=CC=C1)C(C)C 1,3-Diisopropylbenzene 99-62-7|1,3-Diisopropylbenzene|1,3-Bis(1-methylethyl)benzene|Benzene, 1,3-bis(1-methylethyl)-|BRN 1905828|EINECS 202-773-1|m-Diisopropylbenzene|m-Diisopropylbenzol|UNII-482VXW192E https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026640
ERPathway2016 ERPathway2016_1798 1,3-Diisopropylbenzene 99-62-7 DTXSID8026640 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC(=CC=C1)C(C)C 1,3-Diisopropylbenzene 99-62-7|1,3-Diisopropylbenzene|1,3-Bis(1-methylethyl)benzene|Benzene, 1,3-bis(1-methylethyl)-|BRN 1905828|EINECS 202-773-1|m-Diisopropylbenzene|m-Diisopropylbenzol|UNII-482VXW192E https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026640
ERPathway2016 ERPathway2016_1798 1,3-Diisopropylbenzene 99-62-7 DTXSID8026640 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC(=CC=C1)C(C)C 1,3-Diisopropylbenzene 99-62-7|1,3-Diisopropylbenzene|1,3-Bis(1-methylethyl)benzene|Benzene, 1,3-bis(1-methylethyl)-|BRN 1905828|EINECS 202-773-1|m-Diisopropylbenzene|m-Diisopropylbenzol|UNII-482VXW192E https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026640
ARPathway2016 ARPathway2016_1691 1,3-Dimethyl-4-nitrobenzene 89-87-2 DTXSID2025135 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=C(C=C1)[N+]([O-])=O 1,3-Dimethyl-4-nitrobenzene 89-87-2|1,3-Dimethyl-4-nitrobenzene|1-Nitro-2,4-dimethylbenzene|2,4-Dimethyl-1-nitrobenzene|2,4-Dimethylnitrobenzene|4-Nitro-1,3-dimethylbenzene|4-Nitro-1,3-xylene|4-Nitro-m-xylene|Benzene, 2,4-dimethyl-1-nitro-|EINECS 201-947-4|NSC 50661 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025135 https://doi.org/10.22427/NTP-DATA-DTXSID2025135
ARPathway2016 ARPathway2016_1691 1,3-Dimethyl-4-nitrobenzene 89-87-2 DTXSID2025135 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=C(C=C1)[N+]([O-])=O 1,3-Dimethyl-4-nitrobenzene 89-87-2|1,3-Dimethyl-4-nitrobenzene|1-Nitro-2,4-dimethylbenzene|2,4-Dimethyl-1-nitrobenzene|2,4-Dimethylnitrobenzene|4-Nitro-1,3-dimethylbenzene|4-Nitro-1,3-xylene|4-Nitro-m-xylene|Benzene, 2,4-dimethyl-1-nitro-|EINECS 201-947-4|NSC 50661 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025135 https://doi.org/10.22427/NTP-DATA-DTXSID2025135
ARPathway2016 ARPathway2016_1691 1,3-Dimethyl-4-nitrobenzene 89-87-2 DTXSID2025135 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=C(C=C1)[N+]([O-])=O 1,3-Dimethyl-4-nitrobenzene 89-87-2|1,3-Dimethyl-4-nitrobenzene|1-Nitro-2,4-dimethylbenzene|2,4-Dimethyl-1-nitrobenzene|2,4-Dimethylnitrobenzene|4-Nitro-1,3-dimethylbenzene|4-Nitro-1,3-xylene|4-Nitro-m-xylene|Benzene, 2,4-dimethyl-1-nitro-|EINECS 201-947-4|NSC 50661 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025135 https://doi.org/10.22427/NTP-DATA-DTXSID2025135
ARPathway2016 ARPathway2016_1691 1,3-Dimethyl-4-nitrobenzene 89-87-2 DTXSID2025135 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=C(C=C1)[N+]([O-])=O 1,3-Dimethyl-4-nitrobenzene 89-87-2|1,3-Dimethyl-4-nitrobenzene|1-Nitro-2,4-dimethylbenzene|2,4-Dimethyl-1-nitrobenzene|2,4-Dimethylnitrobenzene|4-Nitro-1,3-dimethylbenzene|4-Nitro-1,3-xylene|4-Nitro-m-xylene|Benzene, 2,4-dimethyl-1-nitro-|EINECS 201-947-4|NSC 50661 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025135 https://doi.org/10.22427/NTP-DATA-DTXSID2025135
ERPathway2016 ERPathway2016_381 1,3-Dimethyl-4-nitrobenzene 89-87-2 DTXSID2025135 ER Pathway Model, Antagonist AC50 32.2805238601206 uM CC1=CC(C)=C(C=C1)[N+]([O-])=O 1,3-Dimethyl-4-nitrobenzene 89-87-2|1,3-Dimethyl-4-nitrobenzene|1-Nitro-2,4-dimethylbenzene|2,4-Dimethyl-1-nitrobenzene|2,4-Dimethylnitrobenzene|4-Nitro-1,3-dimethylbenzene|4-Nitro-1,3-xylene|4-Nitro-m-xylene|Benzene, 2,4-dimethyl-1-nitro-|EINECS 201-947-4|NSC 50661 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025135 https://doi.org/10.22427/NTP-DATA-DTXSID2025135
ERPathway2016 ERPathway2016_381 1,3-Dimethyl-4-nitrobenzene 89-87-2 DTXSID2025135 ER Pathway Model, Antagonist ACC 22.8528970457987 uM CC1=CC(C)=C(C=C1)[N+]([O-])=O 1,3-Dimethyl-4-nitrobenzene 89-87-2|1,3-Dimethyl-4-nitrobenzene|1-Nitro-2,4-dimethylbenzene|2,4-Dimethyl-1-nitrobenzene|2,4-Dimethylnitrobenzene|4-Nitro-1,3-dimethylbenzene|4-Nitro-1,3-xylene|4-Nitro-m-xylene|Benzene, 2,4-dimethyl-1-nitro-|EINECS 201-947-4|NSC 50661 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025135 https://doi.org/10.22427/NTP-DATA-DTXSID2025135
ERPathway2016 ERPathway2016_381 1,3-Dimethyl-4-nitrobenzene 89-87-2 DTXSID2025135 ER Pathway Model, Agonist Model Score 0.0121 Unitless CC1=CC(C)=C(C=C1)[N+]([O-])=O 1,3-Dimethyl-4-nitrobenzene 89-87-2|1,3-Dimethyl-4-nitrobenzene|1-Nitro-2,4-dimethylbenzene|2,4-Dimethyl-1-nitrobenzene|2,4-Dimethylnitrobenzene|4-Nitro-1,3-dimethylbenzene|4-Nitro-1,3-xylene|4-Nitro-m-xylene|Benzene, 2,4-dimethyl-1-nitro-|EINECS 201-947-4|NSC 50661 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025135 https://doi.org/10.22427/NTP-DATA-DTXSID2025135
ERPathway2016 ERPathway2016_381 1,3-Dimethyl-4-nitrobenzene 89-87-2 DTXSID2025135 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=C(C=C1)[N+]([O-])=O 1,3-Dimethyl-4-nitrobenzene 89-87-2|1,3-Dimethyl-4-nitrobenzene|1-Nitro-2,4-dimethylbenzene|2,4-Dimethyl-1-nitrobenzene|2,4-Dimethylnitrobenzene|4-Nitro-1,3-dimethylbenzene|4-Nitro-1,3-xylene|4-Nitro-m-xylene|Benzene, 2,4-dimethyl-1-nitro-|EINECS 201-947-4|NSC 50661 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025135 https://doi.org/10.22427/NTP-DATA-DTXSID2025135
ERPathway2016 ERPathway2016_381 1,3-Dimethyl-4-nitrobenzene 89-87-2 DTXSID2025135 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=C(C=C1)[N+]([O-])=O 1,3-Dimethyl-4-nitrobenzene 89-87-2|1,3-Dimethyl-4-nitrobenzene|1-Nitro-2,4-dimethylbenzene|2,4-Dimethyl-1-nitrobenzene|2,4-Dimethylnitrobenzene|4-Nitro-1,3-dimethylbenzene|4-Nitro-1,3-xylene|4-Nitro-m-xylene|Benzene, 2,4-dimethyl-1-nitro-|EINECS 201-947-4|NSC 50661 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025135 https://doi.org/10.22427/NTP-DATA-DTXSID2025135
ERPathway2016 ERPathway2016_381 1,3-Dimethyl-4-nitrobenzene 89-87-2 DTXSID2025135 ER Pathway Model, Antagonist Call Active Unitless CC1=CC(C)=C(C=C1)[N+]([O-])=O 1,3-Dimethyl-4-nitrobenzene 89-87-2|1,3-Dimethyl-4-nitrobenzene|1-Nitro-2,4-dimethylbenzene|2,4-Dimethyl-1-nitrobenzene|2,4-Dimethylnitrobenzene|4-Nitro-1,3-dimethylbenzene|4-Nitro-1,3-xylene|4-Nitro-m-xylene|Benzene, 2,4-dimethyl-1-nitro-|EINECS 201-947-4|NSC 50661 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025135 https://doi.org/10.22427/NTP-DATA-DTXSID2025135
ARPathway2016 ARPathway2016_832 1,3-Dimethylolurea 140-95-4 DTXSID6025141 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCNC(=O)NCO 1,3-Dimethylolurea 140-95-4|1,3-Dimethylolurea|1,3-bis(hidroximetil)urea|1,3-Bis(hydroxymethyl)harnstoff|1,3-bis(hydroxymethyl)urea|1,3-Bis(hydroxymethyl)uree|Caurite|CSI Paste|Dimethanol urea|Dimethylol Urea|Dimethylolurea|EINECS 205-444-0|Finish EN|Kaurit S|Knittex ASL|Methural|Metural|N,N-Bis(hydroxymethyl)urea|N,N'-(Dihydroxymethyl)urea|N,N'-BIS-(HYDROXYMETHYL)-HARNSTOFF|N,N'-Bis(hydroxymethyl)urea|N,N'-Dihydroxymethylurea|N,N'-Dimethylolurea|NSC 41819|Oxymethurea|Papirol J 001|Permafresh 477|Protesine DMU|UNII-N68H97CAWG|Urea, 1,3-bis(hydroxymethyl)-|Urea, N,N'-bis(hydroxymethyl)-|UREA, N,N'-DI(HYDROXYMETHYL)-|Ureol P https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025141 https://doi.org/10.22427/NTP-DATA-DTXSID6025141
ARPathway2016 ARPathway2016_832 1,3-Dimethylolurea 140-95-4 DTXSID6025141 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCNC(=O)NCO 1,3-Dimethylolurea 140-95-4|1,3-Dimethylolurea|1,3-bis(hidroximetil)urea|1,3-Bis(hydroxymethyl)harnstoff|1,3-bis(hydroxymethyl)urea|1,3-Bis(hydroxymethyl)uree|Caurite|CSI Paste|Dimethanol urea|Dimethylol Urea|Dimethylolurea|EINECS 205-444-0|Finish EN|Kaurit S|Knittex ASL|Methural|Metural|N,N-Bis(hydroxymethyl)urea|N,N'-(Dihydroxymethyl)urea|N,N'-BIS-(HYDROXYMETHYL)-HARNSTOFF|N,N'-Bis(hydroxymethyl)urea|N,N'-Dihydroxymethylurea|N,N'-Dimethylolurea|NSC 41819|Oxymethurea|Papirol J 001|Permafresh 477|Protesine DMU|UNII-N68H97CAWG|Urea, 1,3-bis(hydroxymethyl)-|Urea, N,N'-bis(hydroxymethyl)-|UREA, N,N'-DI(HYDROXYMETHYL)-|Ureol P https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025141 https://doi.org/10.22427/NTP-DATA-DTXSID6025141
ARPathway2016 ARPathway2016_832 1,3-Dimethylolurea 140-95-4 DTXSID6025141 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCNC(=O)NCO 1,3-Dimethylolurea 140-95-4|1,3-Dimethylolurea|1,3-bis(hidroximetil)urea|1,3-Bis(hydroxymethyl)harnstoff|1,3-bis(hydroxymethyl)urea|1,3-Bis(hydroxymethyl)uree|Caurite|CSI Paste|Dimethanol urea|Dimethylol Urea|Dimethylolurea|EINECS 205-444-0|Finish EN|Kaurit S|Knittex ASL|Methural|Metural|N,N-Bis(hydroxymethyl)urea|N,N'-(Dihydroxymethyl)urea|N,N'-BIS-(HYDROXYMETHYL)-HARNSTOFF|N,N'-Bis(hydroxymethyl)urea|N,N'-Dihydroxymethylurea|N,N'-Dimethylolurea|NSC 41819|Oxymethurea|Papirol J 001|Permafresh 477|Protesine DMU|UNII-N68H97CAWG|Urea, 1,3-bis(hydroxymethyl)-|Urea, N,N'-bis(hydroxymethyl)-|UREA, N,N'-DI(HYDROXYMETHYL)-|Ureol P https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025141 https://doi.org/10.22427/NTP-DATA-DTXSID6025141
ARPathway2016 ARPathway2016_832 1,3-Dimethylolurea 140-95-4 DTXSID6025141 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCNC(=O)NCO 1,3-Dimethylolurea 140-95-4|1,3-Dimethylolurea|1,3-bis(hidroximetil)urea|1,3-Bis(hydroxymethyl)harnstoff|1,3-bis(hydroxymethyl)urea|1,3-Bis(hydroxymethyl)uree|Caurite|CSI Paste|Dimethanol urea|Dimethylol Urea|Dimethylolurea|EINECS 205-444-0|Finish EN|Kaurit S|Knittex ASL|Methural|Metural|N,N-Bis(hydroxymethyl)urea|N,N'-(Dihydroxymethyl)urea|N,N'-BIS-(HYDROXYMETHYL)-HARNSTOFF|N,N'-Bis(hydroxymethyl)urea|N,N'-Dihydroxymethylurea|N,N'-Dimethylolurea|NSC 41819|Oxymethurea|Papirol J 001|Permafresh 477|Protesine DMU|UNII-N68H97CAWG|Urea, 1,3-bis(hydroxymethyl)-|Urea, N,N'-bis(hydroxymethyl)-|UREA, N,N'-DI(HYDROXYMETHYL)-|Ureol P https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025141 https://doi.org/10.22427/NTP-DATA-DTXSID6025141
ERPathway2016 ERPathway2016_973 1,3-Dimethylolurea 140-95-4 DTXSID6025141 ER Pathway Model, Agonist Model Score 0 Unitless OCNC(=O)NCO 1,3-Dimethylolurea 140-95-4|1,3-Dimethylolurea|1,3-bis(hidroximetil)urea|1,3-Bis(hydroxymethyl)harnstoff|1,3-bis(hydroxymethyl)urea|1,3-Bis(hydroxymethyl)uree|Caurite|CSI Paste|Dimethanol urea|Dimethylol Urea|Dimethylolurea|EINECS 205-444-0|Finish EN|Kaurit S|Knittex ASL|Methural|Metural|N,N-Bis(hydroxymethyl)urea|N,N'-(Dihydroxymethyl)urea|N,N'-BIS-(HYDROXYMETHYL)-HARNSTOFF|N,N'-Bis(hydroxymethyl)urea|N,N'-Dihydroxymethylurea|N,N'-Dimethylolurea|NSC 41819|Oxymethurea|Papirol J 001|Permafresh 477|Protesine DMU|UNII-N68H97CAWG|Urea, 1,3-bis(hydroxymethyl)-|Urea, N,N'-bis(hydroxymethyl)-|UREA, N,N'-DI(HYDROXYMETHYL)-|Ureol P https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025141 https://doi.org/10.22427/NTP-DATA-DTXSID6025141
ERPathway2016 ERPathway2016_973 1,3-Dimethylolurea 140-95-4 DTXSID6025141 ER Pathway Model, Antagonist Model Score 0 Unitless OCNC(=O)NCO 1,3-Dimethylolurea 140-95-4|1,3-Dimethylolurea|1,3-bis(hidroximetil)urea|1,3-Bis(hydroxymethyl)harnstoff|1,3-bis(hydroxymethyl)urea|1,3-Bis(hydroxymethyl)uree|Caurite|CSI Paste|Dimethanol urea|Dimethylol Urea|Dimethylolurea|EINECS 205-444-0|Finish EN|Kaurit S|Knittex ASL|Methural|Metural|N,N-Bis(hydroxymethyl)urea|N,N'-(Dihydroxymethyl)urea|N,N'-BIS-(HYDROXYMETHYL)-HARNSTOFF|N,N'-Bis(hydroxymethyl)urea|N,N'-Dihydroxymethylurea|N,N'-Dimethylolurea|NSC 41819|Oxymethurea|Papirol J 001|Permafresh 477|Protesine DMU|UNII-N68H97CAWG|Urea, 1,3-bis(hydroxymethyl)-|Urea, N,N'-bis(hydroxymethyl)-|UREA, N,N'-DI(HYDROXYMETHYL)-|Ureol P https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025141 https://doi.org/10.22427/NTP-DATA-DTXSID6025141
ERPathway2016 ERPathway2016_973 1,3-Dimethylolurea 140-95-4 DTXSID6025141 ER Pathway Model, Agonist Call Inactive Unitless OCNC(=O)NCO 1,3-Dimethylolurea 140-95-4|1,3-Dimethylolurea|1,3-bis(hidroximetil)urea|1,3-Bis(hydroxymethyl)harnstoff|1,3-bis(hydroxymethyl)urea|1,3-Bis(hydroxymethyl)uree|Caurite|CSI Paste|Dimethanol urea|Dimethylol Urea|Dimethylolurea|EINECS 205-444-0|Finish EN|Kaurit S|Knittex ASL|Methural|Metural|N,N-Bis(hydroxymethyl)urea|N,N'-(Dihydroxymethyl)urea|N,N'-BIS-(HYDROXYMETHYL)-HARNSTOFF|N,N'-Bis(hydroxymethyl)urea|N,N'-Dihydroxymethylurea|N,N'-Dimethylolurea|NSC 41819|Oxymethurea|Papirol J 001|Permafresh 477|Protesine DMU|UNII-N68H97CAWG|Urea, 1,3-bis(hydroxymethyl)-|Urea, N,N'-bis(hydroxymethyl)-|UREA, N,N'-DI(HYDROXYMETHYL)-|Ureol P https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025141 https://doi.org/10.22427/NTP-DATA-DTXSID6025141
ERPathway2016 ERPathway2016_973 1,3-Dimethylolurea 140-95-4 DTXSID6025141 ER Pathway Model, Antagonist Call Inactive Unitless OCNC(=O)NCO 1,3-Dimethylolurea 140-95-4|1,3-Dimethylolurea|1,3-bis(hidroximetil)urea|1,3-Bis(hydroxymethyl)harnstoff|1,3-bis(hydroxymethyl)urea|1,3-Bis(hydroxymethyl)uree|Caurite|CSI Paste|Dimethanol urea|Dimethylol Urea|Dimethylolurea|EINECS 205-444-0|Finish EN|Kaurit S|Knittex ASL|Methural|Metural|N,N-Bis(hydroxymethyl)urea|N,N'-(Dihydroxymethyl)urea|N,N'-BIS-(HYDROXYMETHYL)-HARNSTOFF|N,N'-Bis(hydroxymethyl)urea|N,N'-Dihydroxymethylurea|N,N'-Dimethylolurea|NSC 41819|Oxymethurea|Papirol J 001|Permafresh 477|Protesine DMU|UNII-N68H97CAWG|Urea, 1,3-bis(hydroxymethyl)-|Urea, N,N'-bis(hydroxymethyl)-|UREA, N,N'-DI(HYDROXYMETHYL)-|Ureol P https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025141 https://doi.org/10.22427/NTP-DATA-DTXSID6025141
ARPathway2016 ARPathway2016_1820 1,3-Dinitrobenzene 99-65-0 DTXSID9024065 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [O-][N+](=O)C1=CC(=CC=C1)[N+]([O-])=O 1,3-Dinitrobenzene 99-65-0|1,3-Dinitrobenzene|1,3-dinitrobenceno|1,3-Dinitrobenzol|2,4-Dinitrobenzene|Benzene, 1,3-dinitro-|Benzene, m-dinitro-|Dwunitrobenzen|EINECS 202-776-8|M-DINITROBENZENE|m-DNB|Meta-dinitrobenzene|NSC 7189|UNII-DK8B627BU0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024065 https://doi.org/10.22427/NTP-DATA-DTXSID9024065
ARPathway2016 ARPathway2016_1820 1,3-Dinitrobenzene 99-65-0 DTXSID9024065 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)C1=CC(=CC=C1)[N+]([O-])=O 1,3-Dinitrobenzene 99-65-0|1,3-Dinitrobenzene|1,3-dinitrobenceno|1,3-Dinitrobenzol|2,4-Dinitrobenzene|Benzene, 1,3-dinitro-|Benzene, m-dinitro-|Dwunitrobenzen|EINECS 202-776-8|M-DINITROBENZENE|m-DNB|Meta-dinitrobenzene|NSC 7189|UNII-DK8B627BU0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024065 https://doi.org/10.22427/NTP-DATA-DTXSID9024065
ARPathway2016 ARPathway2016_1820 1,3-Dinitrobenzene 99-65-0 DTXSID9024065 0.0 AR Pathway Model, Agonist Call Inactive Unitless [O-][N+](=O)C1=CC(=CC=C1)[N+]([O-])=O 1,3-Dinitrobenzene 99-65-0|1,3-Dinitrobenzene|1,3-dinitrobenceno|1,3-Dinitrobenzol|2,4-Dinitrobenzene|Benzene, 1,3-dinitro-|Benzene, m-dinitro-|Dwunitrobenzen|EINECS 202-776-8|M-DINITROBENZENE|m-DNB|Meta-dinitrobenzene|NSC 7189|UNII-DK8B627BU0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024065 https://doi.org/10.22427/NTP-DATA-DTXSID9024065
ARPathway2016 ARPathway2016_1820 1,3-Dinitrobenzene 99-65-0 DTXSID9024065 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=CC(=CC=C1)[N+]([O-])=O 1,3-Dinitrobenzene 99-65-0|1,3-Dinitrobenzene|1,3-dinitrobenceno|1,3-Dinitrobenzol|2,4-Dinitrobenzene|Benzene, 1,3-dinitro-|Benzene, m-dinitro-|Dwunitrobenzen|EINECS 202-776-8|M-DINITROBENZENE|m-DNB|Meta-dinitrobenzene|NSC 7189|UNII-DK8B627BU0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024065 https://doi.org/10.22427/NTP-DATA-DTXSID9024065
ERPathway2016 ERPathway2016_695 1,3-Dinitrobenzene 99-65-0 DTXSID9024065 ER Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)C1=CC(=CC=C1)[N+]([O-])=O 1,3-Dinitrobenzene 99-65-0|1,3-Dinitrobenzene|1,3-dinitrobenceno|1,3-Dinitrobenzol|2,4-Dinitrobenzene|Benzene, 1,3-dinitro-|Benzene, m-dinitro-|Dwunitrobenzen|EINECS 202-776-8|M-DINITROBENZENE|m-DNB|Meta-dinitrobenzene|NSC 7189|UNII-DK8B627BU0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024065 https://doi.org/10.22427/NTP-DATA-DTXSID9024065
ERPathway2016 ERPathway2016_695 1,3-Dinitrobenzene 99-65-0 DTXSID9024065 ER Pathway Model, Antagonist Model Score 0 Unitless [O-][N+](=O)C1=CC(=CC=C1)[N+]([O-])=O 1,3-Dinitrobenzene 99-65-0|1,3-Dinitrobenzene|1,3-dinitrobenceno|1,3-Dinitrobenzol|2,4-Dinitrobenzene|Benzene, 1,3-dinitro-|Benzene, m-dinitro-|Dwunitrobenzen|EINECS 202-776-8|M-DINITROBENZENE|m-DNB|Meta-dinitrobenzene|NSC 7189|UNII-DK8B627BU0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024065 https://doi.org/10.22427/NTP-DATA-DTXSID9024065
ERPathway2016 ERPathway2016_695 1,3-Dinitrobenzene 99-65-0 DTXSID9024065 ER Pathway Model, Agonist Call Inactive Unitless [O-][N+](=O)C1=CC(=CC=C1)[N+]([O-])=O 1,3-Dinitrobenzene 99-65-0|1,3-Dinitrobenzene|1,3-dinitrobenceno|1,3-Dinitrobenzol|2,4-Dinitrobenzene|Benzene, 1,3-dinitro-|Benzene, m-dinitro-|Dwunitrobenzen|EINECS 202-776-8|M-DINITROBENZENE|m-DNB|Meta-dinitrobenzene|NSC 7189|UNII-DK8B627BU0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024065 https://doi.org/10.22427/NTP-DATA-DTXSID9024065
ERPathway2016 ERPathway2016_695 1,3-Dinitrobenzene 99-65-0 DTXSID9024065 ER Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=CC(=CC=C1)[N+]([O-])=O 1,3-Dinitrobenzene 99-65-0|1,3-Dinitrobenzene|1,3-dinitrobenceno|1,3-Dinitrobenzol|2,4-Dinitrobenzene|Benzene, 1,3-dinitro-|Benzene, m-dinitro-|Dwunitrobenzen|EINECS 202-776-8|M-DINITROBENZENE|m-DNB|Meta-dinitrobenzene|NSC 7189|UNII-DK8B627BU0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024065 https://doi.org/10.22427/NTP-DATA-DTXSID9024065
ARPathway2016 ARPathway2016_667 1,3-Diphenyl-1,3-propanedione 120-46-7 DTXSID3041247 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless O=C(CC(=O)C1=CC=CC=C1)C1=CC=CC=C1 1,3-Diphenyl-1,3-propanedione 120-46-7|1,3-Diphenyl-1,3-propanedione|1,3-difenilpropano-1,3-diona|1,3-Diphenylpropan-1,3-dion|1,3-Diphenylpropane-1,3-dione|1,3-Propanedione, 1,3-diphenyl-|2-Benzoylacetophenone|BRN 0514910|DBM|DIBENZOYL METHANE|Dibenzoylmethane|EINECS 204-398-9|Karenz DK 2|Karenzu DK2|NSC 406806|NSC 52984|NSC 6266|omega-Benzoylacetophenone|Phenyl phenacyl ketone|PROPANE-1,3-DIONE, 1,3-DIPHENYL-|Rhodiastab 83|UNII-ANS7ME8OKC|o-Benzoylacetophenone|61346-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041247
ARPathway2016 ARPathway2016_667 1,3-Diphenyl-1,3-propanedione 120-46-7 DTXSID3041247 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless O=C(CC(=O)C1=CC=CC=C1)C1=CC=CC=C1 1,3-Diphenyl-1,3-propanedione 120-46-7|1,3-Diphenyl-1,3-propanedione|1,3-difenilpropano-1,3-diona|1,3-Diphenylpropan-1,3-dion|1,3-Diphenylpropane-1,3-dione|1,3-Propanedione, 1,3-diphenyl-|2-Benzoylacetophenone|BRN 0514910|DBM|DIBENZOYL METHANE|Dibenzoylmethane|EINECS 204-398-9|Karenz DK 2|Karenzu DK2|NSC 406806|NSC 52984|NSC 6266|omega-Benzoylacetophenone|Phenyl phenacyl ketone|PROPANE-1,3-DIONE, 1,3-DIPHENYL-|Rhodiastab 83|UNII-ANS7ME8OKC|o-Benzoylacetophenone|61346-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041247
ARPathway2016 ARPathway2016_667 1,3-Diphenyl-1,3-propanedione 120-46-7 DTXSID3041247 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless O=C(CC(=O)C1=CC=CC=C1)C1=CC=CC=C1 1,3-Diphenyl-1,3-propanedione 120-46-7|1,3-Diphenyl-1,3-propanedione|1,3-difenilpropano-1,3-diona|1,3-Diphenylpropan-1,3-dion|1,3-Diphenylpropane-1,3-dione|1,3-Propanedione, 1,3-diphenyl-|2-Benzoylacetophenone|BRN 0514910|DBM|DIBENZOYL METHANE|Dibenzoylmethane|EINECS 204-398-9|Karenz DK 2|Karenzu DK2|NSC 406806|NSC 52984|NSC 6266|omega-Benzoylacetophenone|Phenyl phenacyl ketone|PROPANE-1,3-DIONE, 1,3-DIPHENYL-|Rhodiastab 83|UNII-ANS7ME8OKC|o-Benzoylacetophenone|61346-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041247
ARPathway2016 ARPathway2016_667 1,3-Diphenyl-1,3-propanedione 120-46-7 DTXSID3041247 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless O=C(CC(=O)C1=CC=CC=C1)C1=CC=CC=C1 1,3-Diphenyl-1,3-propanedione 120-46-7|1,3-Diphenyl-1,3-propanedione|1,3-difenilpropano-1,3-diona|1,3-Diphenylpropan-1,3-dion|1,3-Diphenylpropane-1,3-dione|1,3-Propanedione, 1,3-diphenyl-|2-Benzoylacetophenone|BRN 0514910|DBM|DIBENZOYL METHANE|Dibenzoylmethane|EINECS 204-398-9|Karenz DK 2|Karenzu DK2|NSC 406806|NSC 52984|NSC 6266|omega-Benzoylacetophenone|Phenyl phenacyl ketone|PROPANE-1,3-DIONE, 1,3-DIPHENYL-|Rhodiastab 83|UNII-ANS7ME8OKC|o-Benzoylacetophenone|61346-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041247
ERPathway2016 ERPathway2016_277 1,3-Diphenyl-1,3-propanedione 120-46-7 DTXSID3041247 ER Pathway Model, Antagonist AC50 15.9379578410842 uM O=C(CC(=O)C1=CC=CC=C1)C1=CC=CC=C1 1,3-Diphenyl-1,3-propanedione 120-46-7|1,3-Diphenyl-1,3-propanedione|1,3-difenilpropano-1,3-diona|1,3-Diphenylpropan-1,3-dion|1,3-Diphenylpropane-1,3-dione|1,3-Propanedione, 1,3-diphenyl-|2-Benzoylacetophenone|BRN 0514910|DBM|DIBENZOYL METHANE|Dibenzoylmethane|EINECS 204-398-9|Karenz DK 2|Karenzu DK2|NSC 406806|NSC 52984|NSC 6266|omega-Benzoylacetophenone|Phenyl phenacyl ketone|PROPANE-1,3-DIONE, 1,3-DIPHENYL-|Rhodiastab 83|UNII-ANS7ME8OKC|o-Benzoylacetophenone|61346-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041247
ERPathway2016 ERPathway2016_277 1,3-Diphenyl-1,3-propanedione 120-46-7 DTXSID3041247 ER Pathway Model, Antagonist ACC 14.1446454135732 uM O=C(CC(=O)C1=CC=CC=C1)C1=CC=CC=C1 1,3-Diphenyl-1,3-propanedione 120-46-7|1,3-Diphenyl-1,3-propanedione|1,3-difenilpropano-1,3-diona|1,3-Diphenylpropan-1,3-dion|1,3-Diphenylpropane-1,3-dione|1,3-Propanedione, 1,3-diphenyl-|2-Benzoylacetophenone|BRN 0514910|DBM|DIBENZOYL METHANE|Dibenzoylmethane|EINECS 204-398-9|Karenz DK 2|Karenzu DK2|NSC 406806|NSC 52984|NSC 6266|omega-Benzoylacetophenone|Phenyl phenacyl ketone|PROPANE-1,3-DIONE, 1,3-DIPHENYL-|Rhodiastab 83|UNII-ANS7ME8OKC|o-Benzoylacetophenone|61346-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041247
ERPathway2016 ERPathway2016_277 1,3-Diphenyl-1,3-propanedione 120-46-7 DTXSID3041247 ER Pathway Model, Agonist Model Score 0.0491 Unitless O=C(CC(=O)C1=CC=CC=C1)C1=CC=CC=C1 1,3-Diphenyl-1,3-propanedione 120-46-7|1,3-Diphenyl-1,3-propanedione|1,3-difenilpropano-1,3-diona|1,3-Diphenylpropan-1,3-dion|1,3-Diphenylpropane-1,3-dione|1,3-Propanedione, 1,3-diphenyl-|2-Benzoylacetophenone|BRN 0514910|DBM|DIBENZOYL METHANE|Dibenzoylmethane|EINECS 204-398-9|Karenz DK 2|Karenzu DK2|NSC 406806|NSC 52984|NSC 6266|omega-Benzoylacetophenone|Phenyl phenacyl ketone|PROPANE-1,3-DIONE, 1,3-DIPHENYL-|Rhodiastab 83|UNII-ANS7ME8OKC|o-Benzoylacetophenone|61346-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041247
ERPathway2016 ERPathway2016_277 1,3-Diphenyl-1,3-propanedione 120-46-7 DTXSID3041247 ER Pathway Model, Antagonist Model Score 0 Unitless O=C(CC(=O)C1=CC=CC=C1)C1=CC=CC=C1 1,3-Diphenyl-1,3-propanedione 120-46-7|1,3-Diphenyl-1,3-propanedione|1,3-difenilpropano-1,3-diona|1,3-Diphenylpropan-1,3-dion|1,3-Diphenylpropane-1,3-dione|1,3-Propanedione, 1,3-diphenyl-|2-Benzoylacetophenone|BRN 0514910|DBM|DIBENZOYL METHANE|Dibenzoylmethane|EINECS 204-398-9|Karenz DK 2|Karenzu DK2|NSC 406806|NSC 52984|NSC 6266|omega-Benzoylacetophenone|Phenyl phenacyl ketone|PROPANE-1,3-DIONE, 1,3-DIPHENYL-|Rhodiastab 83|UNII-ANS7ME8OKC|o-Benzoylacetophenone|61346-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041247
ERPathway2016 ERPathway2016_277 1,3-Diphenyl-1,3-propanedione 120-46-7 DTXSID3041247 ER Pathway Model, Agonist Call Inactive Unitless O=C(CC(=O)C1=CC=CC=C1)C1=CC=CC=C1 1,3-Diphenyl-1,3-propanedione 120-46-7|1,3-Diphenyl-1,3-propanedione|1,3-difenilpropano-1,3-diona|1,3-Diphenylpropan-1,3-dion|1,3-Diphenylpropane-1,3-dione|1,3-Propanedione, 1,3-diphenyl-|2-Benzoylacetophenone|BRN 0514910|DBM|DIBENZOYL METHANE|Dibenzoylmethane|EINECS 204-398-9|Karenz DK 2|Karenzu DK2|NSC 406806|NSC 52984|NSC 6266|omega-Benzoylacetophenone|Phenyl phenacyl ketone|PROPANE-1,3-DIONE, 1,3-DIPHENYL-|Rhodiastab 83|UNII-ANS7ME8OKC|o-Benzoylacetophenone|61346-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041247
ERPathway2016 ERPathway2016_277 1,3-Diphenyl-1,3-propanedione 120-46-7 DTXSID3041247 ER Pathway Model, Antagonist Call Active Unitless O=C(CC(=O)C1=CC=CC=C1)C1=CC=CC=C1 1,3-Diphenyl-1,3-propanedione 120-46-7|1,3-Diphenyl-1,3-propanedione|1,3-difenilpropano-1,3-diona|1,3-Diphenylpropan-1,3-dion|1,3-Diphenylpropane-1,3-dione|1,3-Propanedione, 1,3-diphenyl-|2-Benzoylacetophenone|BRN 0514910|DBM|DIBENZOYL METHANE|Dibenzoylmethane|EINECS 204-398-9|Karenz DK 2|Karenzu DK2|NSC 406806|NSC 52984|NSC 6266|omega-Benzoylacetophenone|Phenyl phenacyl ketone|PROPANE-1,3-DIONE, 1,3-DIPHENYL-|Rhodiastab 83|UNII-ANS7ME8OKC|o-Benzoylacetophenone|61346-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041247
ARPathway2016 ARPathway2016_3 1,3-Diphenylguanidine 102-06-7 DTXSID3025178 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist AC50 13.8219772605533 uM N=C(NC1=CC=CC=C1)NC1=CC=CC=C1 1,3-Diphenylguanidine 102-06-7|1,3-Diphenylguanidine|1,2-Diphenylguanidine|1,3-difenilguanidina|1,3-Difenylguanid|1,3-Diphenylguanidin|Accel D|Accel DM-R|Accelerator D|Chlorostain BR|Denax DPG|DIPHENYL GUANIDINE|Diphenylguanidine|DPG|DPG (VAN)|DPG accelerator|Dwufenyloguanidyna|EINECS 203-002-1|GUANIDINE, 1,3-DIPHENYL-|Guanidine, N,N'-diphenyl-|Melaniline|N,N'-DIPHENYLGUANIDIN|N,N'-DIPHENYLGUANIDINE|NCI-C60924|Nocceler D|NSC 3272|Perkacit DP|Perkacit DPG|Rhenogran DPG|Rhenogran DPG 80|Rhenogran DPG 80P|s-Diphenylguanidine|Sanceler D|Sanceler D-G|Soxinol D|Soxinol DG|sym-Diphenylguanidine|UNII-6MRZ85RNHQ|USAF EK-1270|Vanax DPG|Vulcafor DPG|Vulkacit D|Vulkacit D/C|Vulkacite D|Vulkazit|25323-69-7|33505-70-3|368867-99-6|39291-21-9|55556-10-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025178 https://doi.org/10.22427/NTP-DATA-DTXSID3025178
ARPathway2016 ARPathway2016_3 1,3-Diphenylguanidine 102-06-7 DTXSID3025178 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist ACC 14.5397986579205 uM N=C(NC1=CC=CC=C1)NC1=CC=CC=C1 1,3-Diphenylguanidine 102-06-7|1,3-Diphenylguanidine|1,2-Diphenylguanidine|1,3-difenilguanidina|1,3-Difenylguanid|1,3-Diphenylguanidin|Accel D|Accel DM-R|Accelerator D|Chlorostain BR|Denax DPG|DIPHENYL GUANIDINE|Diphenylguanidine|DPG|DPG (VAN)|DPG accelerator|Dwufenyloguanidyna|EINECS 203-002-1|GUANIDINE, 1,3-DIPHENYL-|Guanidine, N,N'-diphenyl-|Melaniline|N,N'-DIPHENYLGUANIDIN|N,N'-DIPHENYLGUANIDINE|NCI-C60924|Nocceler D|NSC 3272|Perkacit DP|Perkacit DPG|Rhenogran DPG|Rhenogran DPG 80|Rhenogran DPG 80P|s-Diphenylguanidine|Sanceler D|Sanceler D-G|Soxinol D|Soxinol DG|sym-Diphenylguanidine|UNII-6MRZ85RNHQ|USAF EK-1270|Vanax DPG|Vulcafor DPG|Vulkacit D|Vulkacit D/C|Vulkacite D|Vulkazit|25323-69-7|33505-70-3|368867-99-6|39291-21-9|55556-10-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025178 https://doi.org/10.22427/NTP-DATA-DTXSID3025178
ARPathway2016 ARPathway2016_3 1,3-Diphenylguanidine 102-06-7 DTXSID3025178 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0584 Unitless N=C(NC1=CC=CC=C1)NC1=CC=CC=C1 1,3-Diphenylguanidine 102-06-7|1,3-Diphenylguanidine|1,2-Diphenylguanidine|1,3-difenilguanidina|1,3-Difenylguanid|1,3-Diphenylguanidin|Accel D|Accel DM-R|Accelerator D|Chlorostain BR|Denax DPG|DIPHENYL GUANIDINE|Diphenylguanidine|DPG|DPG (VAN)|DPG accelerator|Dwufenyloguanidyna|EINECS 203-002-1|GUANIDINE, 1,3-DIPHENYL-|Guanidine, N,N'-diphenyl-|Melaniline|N,N'-DIPHENYLGUANIDIN|N,N'-DIPHENYLGUANIDINE|NCI-C60924|Nocceler D|NSC 3272|Perkacit DP|Perkacit DPG|Rhenogran DPG|Rhenogran DPG 80|Rhenogran DPG 80P|s-Diphenylguanidine|Sanceler D|Sanceler D-G|Soxinol D|Soxinol DG|sym-Diphenylguanidine|UNII-6MRZ85RNHQ|USAF EK-1270|Vanax DPG|Vulcafor DPG|Vulkacit D|Vulkacit D/C|Vulkacite D|Vulkazit|25323-69-7|33505-70-3|368867-99-6|39291-21-9|55556-10-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025178 https://doi.org/10.22427/NTP-DATA-DTXSID3025178
ARPathway2016 ARPathway2016_3 1,3-Diphenylguanidine 102-06-7 DTXSID3025178 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless N=C(NC1=CC=CC=C1)NC1=CC=CC=C1 1,3-Diphenylguanidine 102-06-7|1,3-Diphenylguanidine|1,2-Diphenylguanidine|1,3-difenilguanidina|1,3-Difenylguanid|1,3-Diphenylguanidin|Accel D|Accel DM-R|Accelerator D|Chlorostain BR|Denax DPG|DIPHENYL GUANIDINE|Diphenylguanidine|DPG|DPG (VAN)|DPG accelerator|Dwufenyloguanidyna|EINECS 203-002-1|GUANIDINE, 1,3-DIPHENYL-|Guanidine, N,N'-diphenyl-|Melaniline|N,N'-DIPHENYLGUANIDIN|N,N'-DIPHENYLGUANIDINE|NCI-C60924|Nocceler D|NSC 3272|Perkacit DP|Perkacit DPG|Rhenogran DPG|Rhenogran DPG 80|Rhenogran DPG 80P|s-Diphenylguanidine|Sanceler D|Sanceler D-G|Soxinol D|Soxinol DG|sym-Diphenylguanidine|UNII-6MRZ85RNHQ|USAF EK-1270|Vanax DPG|Vulcafor DPG|Vulkacit D|Vulkacit D/C|Vulkacite D|Vulkazit|25323-69-7|33505-70-3|368867-99-6|39291-21-9|55556-10-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025178 https://doi.org/10.22427/NTP-DATA-DTXSID3025178
ARPathway2016 ARPathway2016_3 1,3-Diphenylguanidine 102-06-7 DTXSID3025178 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist Call Active Unitless N=C(NC1=CC=CC=C1)NC1=CC=CC=C1 1,3-Diphenylguanidine 102-06-7|1,3-Diphenylguanidine|1,2-Diphenylguanidine|1,3-difenilguanidina|1,3-Difenylguanid|1,3-Diphenylguanidin|Accel D|Accel DM-R|Accelerator D|Chlorostain BR|Denax DPG|DIPHENYL GUANIDINE|Diphenylguanidine|DPG|DPG (VAN)|DPG accelerator|Dwufenyloguanidyna|EINECS 203-002-1|GUANIDINE, 1,3-DIPHENYL-|Guanidine, N,N'-diphenyl-|Melaniline|N,N'-DIPHENYLGUANIDIN|N,N'-DIPHENYLGUANIDINE|NCI-C60924|Nocceler D|NSC 3272|Perkacit DP|Perkacit DPG|Rhenogran DPG|Rhenogran DPG 80|Rhenogran DPG 80P|s-Diphenylguanidine|Sanceler D|Sanceler D-G|Soxinol D|Soxinol DG|sym-Diphenylguanidine|UNII-6MRZ85RNHQ|USAF EK-1270|Vanax DPG|Vulcafor DPG|Vulkacit D|Vulkacit D/C|Vulkacite D|Vulkazit|25323-69-7|33505-70-3|368867-99-6|39291-21-9|55556-10-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025178 https://doi.org/10.22427/NTP-DATA-DTXSID3025178
ARPathway2016 ARPathway2016_3 1,3-Diphenylguanidine 102-06-7 DTXSID3025178 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless N=C(NC1=CC=CC=C1)NC1=CC=CC=C1 1,3-Diphenylguanidine 102-06-7|1,3-Diphenylguanidine|1,2-Diphenylguanidine|1,3-difenilguanidina|1,3-Difenylguanid|1,3-Diphenylguanidin|Accel D|Accel DM-R|Accelerator D|Chlorostain BR|Denax DPG|DIPHENYL GUANIDINE|Diphenylguanidine|DPG|DPG (VAN)|DPG accelerator|Dwufenyloguanidyna|EINECS 203-002-1|GUANIDINE, 1,3-DIPHENYL-|Guanidine, N,N'-diphenyl-|Melaniline|N,N'-DIPHENYLGUANIDIN|N,N'-DIPHENYLGUANIDINE|NCI-C60924|Nocceler D|NSC 3272|Perkacit DP|Perkacit DPG|Rhenogran DPG|Rhenogran DPG 80|Rhenogran DPG 80P|s-Diphenylguanidine|Sanceler D|Sanceler D-G|Soxinol D|Soxinol DG|sym-Diphenylguanidine|UNII-6MRZ85RNHQ|USAF EK-1270|Vanax DPG|Vulcafor DPG|Vulkacit D|Vulkacit D/C|Vulkacite D|Vulkazit|25323-69-7|33505-70-3|368867-99-6|39291-21-9|55556-10-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025178 https://doi.org/10.22427/NTP-DATA-DTXSID3025178
ERPathway2016 ERPathway2016_647 1,3-Diphenylguanidine 102-06-7 DTXSID3025178 A18 ER Pathway Model, Agonist Model Score 0 Unitless N=C(NC1=CC=CC=C1)NC1=CC=CC=C1 1,3-Diphenylguanidine 102-06-7|1,3-Diphenylguanidine|1,2-Diphenylguanidine|1,3-difenilguanidina|1,3-Difenylguanid|1,3-Diphenylguanidin|Accel D|Accel DM-R|Accelerator D|Chlorostain BR|Denax DPG|DIPHENYL GUANIDINE|Diphenylguanidine|DPG|DPG (VAN)|DPG accelerator|Dwufenyloguanidyna|EINECS 203-002-1|GUANIDINE, 1,3-DIPHENYL-|Guanidine, N,N'-diphenyl-|Melaniline|N,N'-DIPHENYLGUANIDIN|N,N'-DIPHENYLGUANIDINE|NCI-C60924|Nocceler D|NSC 3272|Perkacit DP|Perkacit DPG|Rhenogran DPG|Rhenogran DPG 80|Rhenogran DPG 80P|s-Diphenylguanidine|Sanceler D|Sanceler D-G|Soxinol D|Soxinol DG|sym-Diphenylguanidine|UNII-6MRZ85RNHQ|USAF EK-1270|Vanax DPG|Vulcafor DPG|Vulkacit D|Vulkacit D/C|Vulkacite D|Vulkazit|25323-69-7|33505-70-3|368867-99-6|39291-21-9|55556-10-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025178 https://doi.org/10.22427/NTP-DATA-DTXSID3025178
ERPathway2016 ERPathway2016_647 1,3-Diphenylguanidine 102-06-7 DTXSID3025178 A18 ER Pathway Model, Antagonist Model Score 0 Unitless N=C(NC1=CC=CC=C1)NC1=CC=CC=C1 1,3-Diphenylguanidine 102-06-7|1,3-Diphenylguanidine|1,2-Diphenylguanidine|1,3-difenilguanidina|1,3-Difenylguanid|1,3-Diphenylguanidin|Accel D|Accel DM-R|Accelerator D|Chlorostain BR|Denax DPG|DIPHENYL GUANIDINE|Diphenylguanidine|DPG|DPG (VAN)|DPG accelerator|Dwufenyloguanidyna|EINECS 203-002-1|GUANIDINE, 1,3-DIPHENYL-|Guanidine, N,N'-diphenyl-|Melaniline|N,N'-DIPHENYLGUANIDIN|N,N'-DIPHENYLGUANIDINE|NCI-C60924|Nocceler D|NSC 3272|Perkacit DP|Perkacit DPG|Rhenogran DPG|Rhenogran DPG 80|Rhenogran DPG 80P|s-Diphenylguanidine|Sanceler D|Sanceler D-G|Soxinol D|Soxinol DG|sym-Diphenylguanidine|UNII-6MRZ85RNHQ|USAF EK-1270|Vanax DPG|Vulcafor DPG|Vulkacit D|Vulkacit D/C|Vulkacite D|Vulkazit|25323-69-7|33505-70-3|368867-99-6|39291-21-9|55556-10-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025178 https://doi.org/10.22427/NTP-DATA-DTXSID3025178
ERPathway2016 ERPathway2016_647 1,3-Diphenylguanidine 102-06-7 DTXSID3025178 A18 ER Pathway Model, Agonist Call Inactive Unitless N=C(NC1=CC=CC=C1)NC1=CC=CC=C1 1,3-Diphenylguanidine 102-06-7|1,3-Diphenylguanidine|1,2-Diphenylguanidine|1,3-difenilguanidina|1,3-Difenylguanid|1,3-Diphenylguanidin|Accel D|Accel DM-R|Accelerator D|Chlorostain BR|Denax DPG|DIPHENYL GUANIDINE|Diphenylguanidine|DPG|DPG (VAN)|DPG accelerator|Dwufenyloguanidyna|EINECS 203-002-1|GUANIDINE, 1,3-DIPHENYL-|Guanidine, N,N'-diphenyl-|Melaniline|N,N'-DIPHENYLGUANIDIN|N,N'-DIPHENYLGUANIDINE|NCI-C60924|Nocceler D|NSC 3272|Perkacit DP|Perkacit DPG|Rhenogran DPG|Rhenogran DPG 80|Rhenogran DPG 80P|s-Diphenylguanidine|Sanceler D|Sanceler D-G|Soxinol D|Soxinol DG|sym-Diphenylguanidine|UNII-6MRZ85RNHQ|USAF EK-1270|Vanax DPG|Vulcafor DPG|Vulkacit D|Vulkacit D/C|Vulkacite D|Vulkazit|25323-69-7|33505-70-3|368867-99-6|39291-21-9|55556-10-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025178 https://doi.org/10.22427/NTP-DATA-DTXSID3025178
ERPathway2016 ERPathway2016_647 1,3-Diphenylguanidine 102-06-7 DTXSID3025178 A18 ER Pathway Model, Antagonist Call Inactive Unitless N=C(NC1=CC=CC=C1)NC1=CC=CC=C1 1,3-Diphenylguanidine 102-06-7|1,3-Diphenylguanidine|1,2-Diphenylguanidine|1,3-difenilguanidina|1,3-Difenylguanid|1,3-Diphenylguanidin|Accel D|Accel DM-R|Accelerator D|Chlorostain BR|Denax DPG|DIPHENYL GUANIDINE|Diphenylguanidine|DPG|DPG (VAN)|DPG accelerator|Dwufenyloguanidyna|EINECS 203-002-1|GUANIDINE, 1,3-DIPHENYL-|Guanidine, N,N'-diphenyl-|Melaniline|N,N'-DIPHENYLGUANIDIN|N,N'-DIPHENYLGUANIDINE|NCI-C60924|Nocceler D|NSC 3272|Perkacit DP|Perkacit DPG|Rhenogran DPG|Rhenogran DPG 80|Rhenogran DPG 80P|s-Diphenylguanidine|Sanceler D|Sanceler D-G|Soxinol D|Soxinol DG|sym-Diphenylguanidine|UNII-6MRZ85RNHQ|USAF EK-1270|Vanax DPG|Vulcafor DPG|Vulkacit D|Vulkacit D/C|Vulkacite D|Vulkazit|25323-69-7|33505-70-3|368867-99-6|39291-21-9|55556-10-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025178 https://doi.org/10.22427/NTP-DATA-DTXSID3025178
ARPathway2016 ARPathway2016_594 1,3-Propane sultone 1120-71-4 DTXSID8021195 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=S1(=O)CCCO1 1,3-Propane sultone 1120-71-4|1,3-Propane sultone|1-Propanesulfonic acid, 3-hydroxy-, gamma-sultone|1-Propanesulfonic acid, 3-hydroxy-, g-sultone|1, 3-Propane sultone|1,2-Oxathiolane, 2,2-dioxide|1,2-Oxathrolane 2,2-dioxide|1,3-Propanesultone|1,3-propanosultona|1,3-Propansulton|1,3-Trimethylene sultone|3-Hydroxy-1-propanesulfonic acid gamma-sultone|3-Hydroxy-1-propanesulfonic acid sultone|3-Hydroxy-1-propanesulfonic acid g-sultone|3-Hydroxy-1-propanesulphonic acid sultone|3-Hydroxythietane-1,1-Dioxide|5-19-01-00005|BRN 0109782|EINECS 214-317-9|NSC 42386|Propane sultone|Propanesultone|Propyl sultone|RCRA waste number U193|UNII-L6NTK7VJX9|g-Propane sultone https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021195
ARPathway2016 ARPathway2016_594 1,3-Propane sultone 1120-71-4 DTXSID8021195 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=S1(=O)CCCO1 1,3-Propane sultone 1120-71-4|1,3-Propane sultone|1-Propanesulfonic acid, 3-hydroxy-, gamma-sultone|1-Propanesulfonic acid, 3-hydroxy-, g-sultone|1, 3-Propane sultone|1,2-Oxathiolane, 2,2-dioxide|1,2-Oxathrolane 2,2-dioxide|1,3-Propanesultone|1,3-propanosultona|1,3-Propansulton|1,3-Trimethylene sultone|3-Hydroxy-1-propanesulfonic acid gamma-sultone|3-Hydroxy-1-propanesulfonic acid sultone|3-Hydroxy-1-propanesulfonic acid g-sultone|3-Hydroxy-1-propanesulphonic acid sultone|3-Hydroxythietane-1,1-Dioxide|5-19-01-00005|BRN 0109782|EINECS 214-317-9|NSC 42386|Propane sultone|Propanesultone|Propyl sultone|RCRA waste number U193|UNII-L6NTK7VJX9|g-Propane sultone https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021195
ARPathway2016 ARPathway2016_594 1,3-Propane sultone 1120-71-4 DTXSID8021195 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=S1(=O)CCCO1 1,3-Propane sultone 1120-71-4|1,3-Propane sultone|1-Propanesulfonic acid, 3-hydroxy-, gamma-sultone|1-Propanesulfonic acid, 3-hydroxy-, g-sultone|1, 3-Propane sultone|1,2-Oxathiolane, 2,2-dioxide|1,2-Oxathrolane 2,2-dioxide|1,3-Propanesultone|1,3-propanosultona|1,3-Propansulton|1,3-Trimethylene sultone|3-Hydroxy-1-propanesulfonic acid gamma-sultone|3-Hydroxy-1-propanesulfonic acid sultone|3-Hydroxy-1-propanesulfonic acid g-sultone|3-Hydroxy-1-propanesulphonic acid sultone|3-Hydroxythietane-1,1-Dioxide|5-19-01-00005|BRN 0109782|EINECS 214-317-9|NSC 42386|Propane sultone|Propanesultone|Propyl sultone|RCRA waste number U193|UNII-L6NTK7VJX9|g-Propane sultone https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021195
ARPathway2016 ARPathway2016_594 1,3-Propane sultone 1120-71-4 DTXSID8021195 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=S1(=O)CCCO1 1,3-Propane sultone 1120-71-4|1,3-Propane sultone|1-Propanesulfonic acid, 3-hydroxy-, gamma-sultone|1-Propanesulfonic acid, 3-hydroxy-, g-sultone|1, 3-Propane sultone|1,2-Oxathiolane, 2,2-dioxide|1,2-Oxathrolane 2,2-dioxide|1,3-Propanesultone|1,3-propanosultona|1,3-Propansulton|1,3-Trimethylene sultone|3-Hydroxy-1-propanesulfonic acid gamma-sultone|3-Hydroxy-1-propanesulfonic acid sultone|3-Hydroxy-1-propanesulfonic acid g-sultone|3-Hydroxy-1-propanesulphonic acid sultone|3-Hydroxythietane-1,1-Dioxide|5-19-01-00005|BRN 0109782|EINECS 214-317-9|NSC 42386|Propane sultone|Propanesultone|Propyl sultone|RCRA waste number U193|UNII-L6NTK7VJX9|g-Propane sultone https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021195
ERPathway2016 ERPathway2016_781 1,3-Propane sultone 1120-71-4 DTXSID8021195 ER Pathway Model, Agonist Model Score 0 Unitless O=S1(=O)CCCO1 1,3-Propane sultone 1120-71-4|1,3-Propane sultone|1-Propanesulfonic acid, 3-hydroxy-, gamma-sultone|1-Propanesulfonic acid, 3-hydroxy-, g-sultone|1, 3-Propane sultone|1,2-Oxathiolane, 2,2-dioxide|1,2-Oxathrolane 2,2-dioxide|1,3-Propanesultone|1,3-propanosultona|1,3-Propansulton|1,3-Trimethylene sultone|3-Hydroxy-1-propanesulfonic acid gamma-sultone|3-Hydroxy-1-propanesulfonic acid sultone|3-Hydroxy-1-propanesulfonic acid g-sultone|3-Hydroxy-1-propanesulphonic acid sultone|3-Hydroxythietane-1,1-Dioxide|5-19-01-00005|BRN 0109782|EINECS 214-317-9|NSC 42386|Propane sultone|Propanesultone|Propyl sultone|RCRA waste number U193|UNII-L6NTK7VJX9|g-Propane sultone https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021195
ERPathway2016 ERPathway2016_781 1,3-Propane sultone 1120-71-4 DTXSID8021195 ER Pathway Model, Antagonist Model Score 0 Unitless O=S1(=O)CCCO1 1,3-Propane sultone 1120-71-4|1,3-Propane sultone|1-Propanesulfonic acid, 3-hydroxy-, gamma-sultone|1-Propanesulfonic acid, 3-hydroxy-, g-sultone|1, 3-Propane sultone|1,2-Oxathiolane, 2,2-dioxide|1,2-Oxathrolane 2,2-dioxide|1,3-Propanesultone|1,3-propanosultona|1,3-Propansulton|1,3-Trimethylene sultone|3-Hydroxy-1-propanesulfonic acid gamma-sultone|3-Hydroxy-1-propanesulfonic acid sultone|3-Hydroxy-1-propanesulfonic acid g-sultone|3-Hydroxy-1-propanesulphonic acid sultone|3-Hydroxythietane-1,1-Dioxide|5-19-01-00005|BRN 0109782|EINECS 214-317-9|NSC 42386|Propane sultone|Propanesultone|Propyl sultone|RCRA waste number U193|UNII-L6NTK7VJX9|g-Propane sultone https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021195
ERPathway2016 ERPathway2016_781 1,3-Propane sultone 1120-71-4 DTXSID8021195 ER Pathway Model, Agonist Call Inactive Unitless O=S1(=O)CCCO1 1,3-Propane sultone 1120-71-4|1,3-Propane sultone|1-Propanesulfonic acid, 3-hydroxy-, gamma-sultone|1-Propanesulfonic acid, 3-hydroxy-, g-sultone|1, 3-Propane sultone|1,2-Oxathiolane, 2,2-dioxide|1,2-Oxathrolane 2,2-dioxide|1,3-Propanesultone|1,3-propanosultona|1,3-Propansulton|1,3-Trimethylene sultone|3-Hydroxy-1-propanesulfonic acid gamma-sultone|3-Hydroxy-1-propanesulfonic acid sultone|3-Hydroxy-1-propanesulfonic acid g-sultone|3-Hydroxy-1-propanesulphonic acid sultone|3-Hydroxythietane-1,1-Dioxide|5-19-01-00005|BRN 0109782|EINECS 214-317-9|NSC 42386|Propane sultone|Propanesultone|Propyl sultone|RCRA waste number U193|UNII-L6NTK7VJX9|g-Propane sultone https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021195
ERPathway2016 ERPathway2016_781 1,3-Propane sultone 1120-71-4 DTXSID8021195 ER Pathway Model, Antagonist Call Inactive Unitless O=S1(=O)CCCO1 1,3-Propane sultone 1120-71-4|1,3-Propane sultone|1-Propanesulfonic acid, 3-hydroxy-, gamma-sultone|1-Propanesulfonic acid, 3-hydroxy-, g-sultone|1, 3-Propane sultone|1,2-Oxathiolane, 2,2-dioxide|1,2-Oxathrolane 2,2-dioxide|1,3-Propanesultone|1,3-propanosultona|1,3-Propansulton|1,3-Trimethylene sultone|3-Hydroxy-1-propanesulfonic acid gamma-sultone|3-Hydroxy-1-propanesulfonic acid sultone|3-Hydroxy-1-propanesulfonic acid g-sultone|3-Hydroxy-1-propanesulphonic acid sultone|3-Hydroxythietane-1,1-Dioxide|5-19-01-00005|BRN 0109782|EINECS 214-317-9|NSC 42386|Propane sultone|Propanesultone|Propyl sultone|RCRA waste number U193|UNII-L6NTK7VJX9|g-Propane sultone https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021195
ARPathway2016 ARPathway2016_478 1,4-Benzenediamine 106-50-3 DTXSID9021138 0.0 A2 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(N)C=C1 1,4-Benzenediamine 106-50-3|1,4-Benzenediamine|(4-Aminophenyl)amine|1,4-Diaminobenzene|1,4-Diaminobenzol|1,4-PHENYLENDIAMIN|1,4-Phenylenediamine|4-Aminoaniline|BASF Ursol D|BENZENE, 1,4-DIAMINO-|Benzofur D|Black for Fur D|C.I. Developer 13|C.I. Oxidation Base 10|CI Developer 13|CI Oxidation Base 10|Developer 13|Developer PF|Durafur Black R|EINECS 203-404-7|Fenylenodwuamina|Fouramine D|Fourrine D|Fur Black 41866|Fur Black 41867|Fur Brown 41866|Fur Yellow|Furro D|Futramine D|NSC 4777|Oxidation Base 10|p-Aminoaniline|p-Benzenediamine|p-Diaminobenzene|p-fenilendiamina|p-Fenylendiamin|p-Phenyldiamine|p-Phenylendiamin|p-Phenylenediamine|p-phenylenediamine base|para-phenylenediamine|Paraphenylen-diamine|paraphenylene-diamine|Paraphenylenediamine|Pelagol D|Pelagol DR|Pelagol Grey D|Peltol D|PHENYLENE-1,4-DIAMINE|PPD|PPDA|Renal PF|Rodol D|Rodol DJ|Santoflex IC|Santoflex LC|Tertral D|UNII-U770QIT64J|Ursol D|USAF EK-394|Zoba Black D|56481-76-6|82785-55-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021138
ARPathway2016 ARPathway2016_478 1,4-Benzenediamine 106-50-3 DTXSID9021138 0.0 A2 AR Pathway Model, Agonist Model Score 0 Unitless NC1=CC=C(N)C=C1 1,4-Benzenediamine 106-50-3|1,4-Benzenediamine|(4-Aminophenyl)amine|1,4-Diaminobenzene|1,4-Diaminobenzol|1,4-PHENYLENDIAMIN|1,4-Phenylenediamine|4-Aminoaniline|BASF Ursol D|BENZENE, 1,4-DIAMINO-|Benzofur D|Black for Fur D|C.I. Developer 13|C.I. Oxidation Base 10|CI Developer 13|CI Oxidation Base 10|Developer 13|Developer PF|Durafur Black R|EINECS 203-404-7|Fenylenodwuamina|Fouramine D|Fourrine D|Fur Black 41866|Fur Black 41867|Fur Brown 41866|Fur Yellow|Furro D|Futramine D|NSC 4777|Oxidation Base 10|p-Aminoaniline|p-Benzenediamine|p-Diaminobenzene|p-fenilendiamina|p-Fenylendiamin|p-Phenyldiamine|p-Phenylendiamin|p-Phenylenediamine|p-phenylenediamine base|para-phenylenediamine|Paraphenylen-diamine|paraphenylene-diamine|Paraphenylenediamine|Pelagol D|Pelagol DR|Pelagol Grey D|Peltol D|PHENYLENE-1,4-DIAMINE|PPD|PPDA|Renal PF|Rodol D|Rodol DJ|Santoflex IC|Santoflex LC|Tertral D|UNII-U770QIT64J|Ursol D|USAF EK-394|Zoba Black D|56481-76-6|82785-55-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021138
ARPathway2016 ARPathway2016_478 1,4-Benzenediamine 106-50-3 DTXSID9021138 0.0 A2 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(N)C=C1 1,4-Benzenediamine 106-50-3|1,4-Benzenediamine|(4-Aminophenyl)amine|1,4-Diaminobenzene|1,4-Diaminobenzol|1,4-PHENYLENDIAMIN|1,4-Phenylenediamine|4-Aminoaniline|BASF Ursol D|BENZENE, 1,4-DIAMINO-|Benzofur D|Black for Fur D|C.I. Developer 13|C.I. Oxidation Base 10|CI Developer 13|CI Oxidation Base 10|Developer 13|Developer PF|Durafur Black R|EINECS 203-404-7|Fenylenodwuamina|Fouramine D|Fourrine D|Fur Black 41866|Fur Black 41867|Fur Brown 41866|Fur Yellow|Furro D|Futramine D|NSC 4777|Oxidation Base 10|p-Aminoaniline|p-Benzenediamine|p-Diaminobenzene|p-fenilendiamina|p-Fenylendiamin|p-Phenyldiamine|p-Phenylendiamin|p-Phenylenediamine|p-phenylenediamine base|para-phenylenediamine|Paraphenylen-diamine|paraphenylene-diamine|Paraphenylenediamine|Pelagol D|Pelagol DR|Pelagol Grey D|Peltol D|PHENYLENE-1,4-DIAMINE|PPD|PPDA|Renal PF|Rodol D|Rodol DJ|Santoflex IC|Santoflex LC|Tertral D|UNII-U770QIT64J|Ursol D|USAF EK-394|Zoba Black D|56481-76-6|82785-55-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021138
ARPathway2016 ARPathway2016_478 1,4-Benzenediamine 106-50-3 DTXSID9021138 0.0 A2 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC=C(N)C=C1 1,4-Benzenediamine 106-50-3|1,4-Benzenediamine|(4-Aminophenyl)amine|1,4-Diaminobenzene|1,4-Diaminobenzol|1,4-PHENYLENDIAMIN|1,4-Phenylenediamine|4-Aminoaniline|BASF Ursol D|BENZENE, 1,4-DIAMINO-|Benzofur D|Black for Fur D|C.I. Developer 13|C.I. Oxidation Base 10|CI Developer 13|CI Oxidation Base 10|Developer 13|Developer PF|Durafur Black R|EINECS 203-404-7|Fenylenodwuamina|Fouramine D|Fourrine D|Fur Black 41866|Fur Black 41867|Fur Brown 41866|Fur Yellow|Furro D|Futramine D|NSC 4777|Oxidation Base 10|p-Aminoaniline|p-Benzenediamine|p-Diaminobenzene|p-fenilendiamina|p-Fenylendiamin|p-Phenyldiamine|p-Phenylendiamin|p-Phenylenediamine|p-phenylenediamine base|para-phenylenediamine|Paraphenylen-diamine|paraphenylene-diamine|Paraphenylenediamine|Pelagol D|Pelagol DR|Pelagol Grey D|Peltol D|PHENYLENE-1,4-DIAMINE|PPD|PPDA|Renal PF|Rodol D|Rodol DJ|Santoflex IC|Santoflex LC|Tertral D|UNII-U770QIT64J|Ursol D|USAF EK-394|Zoba Black D|56481-76-6|82785-55-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021138
ERPathway2016 ERPathway2016_338 1,4-Benzenediamine 106-50-3 DTXSID9021138 ER Pathway Model, Antagonist AC50 11.975099352854 uM NC1=CC=C(N)C=C1 1,4-Benzenediamine 106-50-3|1,4-Benzenediamine|(4-Aminophenyl)amine|1,4-Diaminobenzene|1,4-Diaminobenzol|1,4-PHENYLENDIAMIN|1,4-Phenylenediamine|4-Aminoaniline|BASF Ursol D|BENZENE, 1,4-DIAMINO-|Benzofur D|Black for Fur D|C.I. Developer 13|C.I. Oxidation Base 10|CI Developer 13|CI Oxidation Base 10|Developer 13|Developer PF|Durafur Black R|EINECS 203-404-7|Fenylenodwuamina|Fouramine D|Fourrine D|Fur Black 41866|Fur Black 41867|Fur Brown 41866|Fur Yellow|Furro D|Futramine D|NSC 4777|Oxidation Base 10|p-Aminoaniline|p-Benzenediamine|p-Diaminobenzene|p-fenilendiamina|p-Fenylendiamin|p-Phenyldiamine|p-Phenylendiamin|p-Phenylenediamine|p-phenylenediamine base|para-phenylenediamine|Paraphenylen-diamine|paraphenylene-diamine|Paraphenylenediamine|Pelagol D|Pelagol DR|Pelagol Grey D|Peltol D|PHENYLENE-1,4-DIAMINE|PPD|PPDA|Renal PF|Rodol D|Rodol DJ|Santoflex IC|Santoflex LC|Tertral D|UNII-U770QIT64J|Ursol D|USAF EK-394|Zoba Black D|56481-76-6|82785-55-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021138
ERPathway2016 ERPathway2016_338 1,4-Benzenediamine 106-50-3 DTXSID9021138 ER Pathway Model, Antagonist ACC 9.1374189282653 uM NC1=CC=C(N)C=C1 1,4-Benzenediamine 106-50-3|1,4-Benzenediamine|(4-Aminophenyl)amine|1,4-Diaminobenzene|1,4-Diaminobenzol|1,4-PHENYLENDIAMIN|1,4-Phenylenediamine|4-Aminoaniline|BASF Ursol D|BENZENE, 1,4-DIAMINO-|Benzofur D|Black for Fur D|C.I. Developer 13|C.I. Oxidation Base 10|CI Developer 13|CI Oxidation Base 10|Developer 13|Developer PF|Durafur Black R|EINECS 203-404-7|Fenylenodwuamina|Fouramine D|Fourrine D|Fur Black 41866|Fur Black 41867|Fur Brown 41866|Fur Yellow|Furro D|Futramine D|NSC 4777|Oxidation Base 10|p-Aminoaniline|p-Benzenediamine|p-Diaminobenzene|p-fenilendiamina|p-Fenylendiamin|p-Phenyldiamine|p-Phenylendiamin|p-Phenylenediamine|p-phenylenediamine base|para-phenylenediamine|Paraphenylen-diamine|paraphenylene-diamine|Paraphenylenediamine|Pelagol D|Pelagol DR|Pelagol Grey D|Peltol D|PHENYLENE-1,4-DIAMINE|PPD|PPDA|Renal PF|Rodol D|Rodol DJ|Santoflex IC|Santoflex LC|Tertral D|UNII-U770QIT64J|Ursol D|USAF EK-394|Zoba Black D|56481-76-6|82785-55-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021138
ERPathway2016 ERPathway2016_338 1,4-Benzenediamine 106-50-3 DTXSID9021138 ER Pathway Model, Agonist Model Score 0.0201 Unitless NC1=CC=C(N)C=C1 1,4-Benzenediamine 106-50-3|1,4-Benzenediamine|(4-Aminophenyl)amine|1,4-Diaminobenzene|1,4-Diaminobenzol|1,4-PHENYLENDIAMIN|1,4-Phenylenediamine|4-Aminoaniline|BASF Ursol D|BENZENE, 1,4-DIAMINO-|Benzofur D|Black for Fur D|C.I. Developer 13|C.I. Oxidation Base 10|CI Developer 13|CI Oxidation Base 10|Developer 13|Developer PF|Durafur Black R|EINECS 203-404-7|Fenylenodwuamina|Fouramine D|Fourrine D|Fur Black 41866|Fur Black 41867|Fur Brown 41866|Fur Yellow|Furro D|Futramine D|NSC 4777|Oxidation Base 10|p-Aminoaniline|p-Benzenediamine|p-Diaminobenzene|p-fenilendiamina|p-Fenylendiamin|p-Phenyldiamine|p-Phenylendiamin|p-Phenylenediamine|p-phenylenediamine base|para-phenylenediamine|Paraphenylen-diamine|paraphenylene-diamine|Paraphenylenediamine|Pelagol D|Pelagol DR|Pelagol Grey D|Peltol D|PHENYLENE-1,4-DIAMINE|PPD|PPDA|Renal PF|Rodol D|Rodol DJ|Santoflex IC|Santoflex LC|Tertral D|UNII-U770QIT64J|Ursol D|USAF EK-394|Zoba Black D|56481-76-6|82785-55-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021138
ERPathway2016 ERPathway2016_338 1,4-Benzenediamine 106-50-3 DTXSID9021138 ER Pathway Model, Antagonist Model Score 0.0158 Unitless NC1=CC=C(N)C=C1 1,4-Benzenediamine 106-50-3|1,4-Benzenediamine|(4-Aminophenyl)amine|1,4-Diaminobenzene|1,4-Diaminobenzol|1,4-PHENYLENDIAMIN|1,4-Phenylenediamine|4-Aminoaniline|BASF Ursol D|BENZENE, 1,4-DIAMINO-|Benzofur D|Black for Fur D|C.I. Developer 13|C.I. Oxidation Base 10|CI Developer 13|CI Oxidation Base 10|Developer 13|Developer PF|Durafur Black R|EINECS 203-404-7|Fenylenodwuamina|Fouramine D|Fourrine D|Fur Black 41866|Fur Black 41867|Fur Brown 41866|Fur Yellow|Furro D|Futramine D|NSC 4777|Oxidation Base 10|p-Aminoaniline|p-Benzenediamine|p-Diaminobenzene|p-fenilendiamina|p-Fenylendiamin|p-Phenyldiamine|p-Phenylendiamin|p-Phenylenediamine|p-phenylenediamine base|para-phenylenediamine|Paraphenylen-diamine|paraphenylene-diamine|Paraphenylenediamine|Pelagol D|Pelagol DR|Pelagol Grey D|Peltol D|PHENYLENE-1,4-DIAMINE|PPD|PPDA|Renal PF|Rodol D|Rodol DJ|Santoflex IC|Santoflex LC|Tertral D|UNII-U770QIT64J|Ursol D|USAF EK-394|Zoba Black D|56481-76-6|82785-55-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021138
ERPathway2016 ERPathway2016_338 1,4-Benzenediamine 106-50-3 DTXSID9021138 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(N)C=C1 1,4-Benzenediamine 106-50-3|1,4-Benzenediamine|(4-Aminophenyl)amine|1,4-Diaminobenzene|1,4-Diaminobenzol|1,4-PHENYLENDIAMIN|1,4-Phenylenediamine|4-Aminoaniline|BASF Ursol D|BENZENE, 1,4-DIAMINO-|Benzofur D|Black for Fur D|C.I. Developer 13|C.I. Oxidation Base 10|CI Developer 13|CI Oxidation Base 10|Developer 13|Developer PF|Durafur Black R|EINECS 203-404-7|Fenylenodwuamina|Fouramine D|Fourrine D|Fur Black 41866|Fur Black 41867|Fur Brown 41866|Fur Yellow|Furro D|Futramine D|NSC 4777|Oxidation Base 10|p-Aminoaniline|p-Benzenediamine|p-Diaminobenzene|p-fenilendiamina|p-Fenylendiamin|p-Phenyldiamine|p-Phenylendiamin|p-Phenylenediamine|p-phenylenediamine base|para-phenylenediamine|Paraphenylen-diamine|paraphenylene-diamine|Paraphenylenediamine|Pelagol D|Pelagol DR|Pelagol Grey D|Peltol D|PHENYLENE-1,4-DIAMINE|PPD|PPDA|Renal PF|Rodol D|Rodol DJ|Santoflex IC|Santoflex LC|Tertral D|UNII-U770QIT64J|Ursol D|USAF EK-394|Zoba Black D|56481-76-6|82785-55-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021138
ERPathway2016 ERPathway2016_338 1,4-Benzenediamine 106-50-3 DTXSID9021138 ER Pathway Model, Antagonist Call Active Unitless NC1=CC=C(N)C=C1 1,4-Benzenediamine 106-50-3|1,4-Benzenediamine|(4-Aminophenyl)amine|1,4-Diaminobenzene|1,4-Diaminobenzol|1,4-PHENYLENDIAMIN|1,4-Phenylenediamine|4-Aminoaniline|BASF Ursol D|BENZENE, 1,4-DIAMINO-|Benzofur D|Black for Fur D|C.I. Developer 13|C.I. Oxidation Base 10|CI Developer 13|CI Oxidation Base 10|Developer 13|Developer PF|Durafur Black R|EINECS 203-404-7|Fenylenodwuamina|Fouramine D|Fourrine D|Fur Black 41866|Fur Black 41867|Fur Brown 41866|Fur Yellow|Furro D|Futramine D|NSC 4777|Oxidation Base 10|p-Aminoaniline|p-Benzenediamine|p-Diaminobenzene|p-fenilendiamina|p-Fenylendiamin|p-Phenyldiamine|p-Phenylendiamin|p-Phenylenediamine|p-phenylenediamine base|para-phenylenediamine|Paraphenylen-diamine|paraphenylene-diamine|Paraphenylenediamine|Pelagol D|Pelagol DR|Pelagol Grey D|Peltol D|PHENYLENE-1,4-DIAMINE|PPD|PPDA|Renal PF|Rodol D|Rodol DJ|Santoflex IC|Santoflex LC|Tertral D|UNII-U770QIT64J|Ursol D|USAF EK-394|Zoba Black D|56481-76-6|82785-55-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021138
ARPathway2016 ARPathway2016_845 1,4-Bis(N-isopropylamino)anthraquinone 14233-37-5 DTXSID2041250 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)NC1=CC=C(NC(C)C)C2=C1C(=O)C1=CC=CC=C1C2=O 1,4-Bis(N-isopropylamino)anthraquinone 14233-37-5|1,4-Bis(N-isopropylamino)anthraquinone|1,4-Bis(isopropylamino)-9,10-anthracenedione|9,10-Anthracenedione, 1,4-bis[(1-methylethyl)amino]-|Anthraquinone, 1,4-bis(isopropylamino)-|Brilliant Oil Blue BGS|C.I. Disperse Blue 134|C.I. Solvent Blue 36|Duranol Blue PP|EINECS 238-101-9|NSC 58039|Oil Blue A|Solvent Blue 36|Unisol Blue AS|Waxoline Blue AP|12226-73-2|88651-81-4|89073-26-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041250
ARPathway2016 ARPathway2016_845 1,4-Bis(N-isopropylamino)anthraquinone 14233-37-5 DTXSID2041250 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)NC1=CC=C(NC(C)C)C2=C1C(=O)C1=CC=CC=C1C2=O 1,4-Bis(N-isopropylamino)anthraquinone 14233-37-5|1,4-Bis(N-isopropylamino)anthraquinone|1,4-Bis(isopropylamino)-9,10-anthracenedione|9,10-Anthracenedione, 1,4-bis[(1-methylethyl)amino]-|Anthraquinone, 1,4-bis(isopropylamino)-|Brilliant Oil Blue BGS|C.I. Disperse Blue 134|C.I. Solvent Blue 36|Duranol Blue PP|EINECS 238-101-9|NSC 58039|Oil Blue A|Solvent Blue 36|Unisol Blue AS|Waxoline Blue AP|12226-73-2|88651-81-4|89073-26-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041250
ARPathway2016 ARPathway2016_845 1,4-Bis(N-isopropylamino)anthraquinone 14233-37-5 DTXSID2041250 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)NC1=CC=C(NC(C)C)C2=C1C(=O)C1=CC=CC=C1C2=O 1,4-Bis(N-isopropylamino)anthraquinone 14233-37-5|1,4-Bis(N-isopropylamino)anthraquinone|1,4-Bis(isopropylamino)-9,10-anthracenedione|9,10-Anthracenedione, 1,4-bis[(1-methylethyl)amino]-|Anthraquinone, 1,4-bis(isopropylamino)-|Brilliant Oil Blue BGS|C.I. Disperse Blue 134|C.I. Solvent Blue 36|Duranol Blue PP|EINECS 238-101-9|NSC 58039|Oil Blue A|Solvent Blue 36|Unisol Blue AS|Waxoline Blue AP|12226-73-2|88651-81-4|89073-26-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041250
ARPathway2016 ARPathway2016_845 1,4-Bis(N-isopropylamino)anthraquinone 14233-37-5 DTXSID2041250 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)NC1=CC=C(NC(C)C)C2=C1C(=O)C1=CC=CC=C1C2=O 1,4-Bis(N-isopropylamino)anthraquinone 14233-37-5|1,4-Bis(N-isopropylamino)anthraquinone|1,4-Bis(isopropylamino)-9,10-anthracenedione|9,10-Anthracenedione, 1,4-bis[(1-methylethyl)amino]-|Anthraquinone, 1,4-bis(isopropylamino)-|Brilliant Oil Blue BGS|C.I. Disperse Blue 134|C.I. Solvent Blue 36|Duranol Blue PP|EINECS 238-101-9|NSC 58039|Oil Blue A|Solvent Blue 36|Unisol Blue AS|Waxoline Blue AP|12226-73-2|88651-81-4|89073-26-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041250
ERPathway2016 ERPathway2016_1049 1,4-Bis(N-isopropylamino)anthraquinone 14233-37-5 DTXSID2041250 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)NC1=CC=C(NC(C)C)C2=C1C(=O)C1=CC=CC=C1C2=O 1,4-Bis(N-isopropylamino)anthraquinone 14233-37-5|1,4-Bis(N-isopropylamino)anthraquinone|1,4-Bis(isopropylamino)-9,10-anthracenedione|9,10-Anthracenedione, 1,4-bis[(1-methylethyl)amino]-|Anthraquinone, 1,4-bis(isopropylamino)-|Brilliant Oil Blue BGS|C.I. Disperse Blue 134|C.I. Solvent Blue 36|Duranol Blue PP|EINECS 238-101-9|NSC 58039|Oil Blue A|Solvent Blue 36|Unisol Blue AS|Waxoline Blue AP|12226-73-2|88651-81-4|89073-26-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041250
ERPathway2016 ERPathway2016_1049 1,4-Bis(N-isopropylamino)anthraquinone 14233-37-5 DTXSID2041250 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)NC1=CC=C(NC(C)C)C2=C1C(=O)C1=CC=CC=C1C2=O 1,4-Bis(N-isopropylamino)anthraquinone 14233-37-5|1,4-Bis(N-isopropylamino)anthraquinone|1,4-Bis(isopropylamino)-9,10-anthracenedione|9,10-Anthracenedione, 1,4-bis[(1-methylethyl)amino]-|Anthraquinone, 1,4-bis(isopropylamino)-|Brilliant Oil Blue BGS|C.I. Disperse Blue 134|C.I. Solvent Blue 36|Duranol Blue PP|EINECS 238-101-9|NSC 58039|Oil Blue A|Solvent Blue 36|Unisol Blue AS|Waxoline Blue AP|12226-73-2|88651-81-4|89073-26-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041250
ERPathway2016 ERPathway2016_1049 1,4-Bis(N-isopropylamino)anthraquinone 14233-37-5 DTXSID2041250 ER Pathway Model, Agonist Call Inactive Unitless CC(C)NC1=CC=C(NC(C)C)C2=C1C(=O)C1=CC=CC=C1C2=O 1,4-Bis(N-isopropylamino)anthraquinone 14233-37-5|1,4-Bis(N-isopropylamino)anthraquinone|1,4-Bis(isopropylamino)-9,10-anthracenedione|9,10-Anthracenedione, 1,4-bis[(1-methylethyl)amino]-|Anthraquinone, 1,4-bis(isopropylamino)-|Brilliant Oil Blue BGS|C.I. Disperse Blue 134|C.I. Solvent Blue 36|Duranol Blue PP|EINECS 238-101-9|NSC 58039|Oil Blue A|Solvent Blue 36|Unisol Blue AS|Waxoline Blue AP|12226-73-2|88651-81-4|89073-26-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041250
ERPathway2016 ERPathway2016_1049 1,4-Bis(N-isopropylamino)anthraquinone 14233-37-5 DTXSID2041250 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)NC1=CC=C(NC(C)C)C2=C1C(=O)C1=CC=CC=C1C2=O 1,4-Bis(N-isopropylamino)anthraquinone 14233-37-5|1,4-Bis(N-isopropylamino)anthraquinone|1,4-Bis(isopropylamino)-9,10-anthracenedione|9,10-Anthracenedione, 1,4-bis[(1-methylethyl)amino]-|Anthraquinone, 1,4-bis(isopropylamino)-|Brilliant Oil Blue BGS|C.I. Disperse Blue 134|C.I. Solvent Blue 36|Duranol Blue PP|EINECS 238-101-9|NSC 58039|Oil Blue A|Solvent Blue 36|Unisol Blue AS|Waxoline Blue AP|12226-73-2|88651-81-4|89073-26-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041250
ARPathway2016 ARPathway2016_548 1,4-Butanediol 110-63-4 DTXSID2024666 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCCCCO 1,4-Butanediol 110-63-4|1,4-Butanediol|1,4-BD|1,4-BUTANDIOL|1,4-Butanediol 1,4-butylene glycol butylene glycol|1,4-Butylene glycol|1,4-Dihydroxybutane|1,4-Tetramethylene glycol|4-01-00-02515|Agrisynth B1D|BDO|BRN 1633445|Butan-1,4-diol|Butane-1,4-diol|butano-1,4-diol|Dabco DBO|EINECS 203-786-5|HO(CH2)4OH|HOCH2CH2CH2CH2OH|NSC 406696|Polycure D|POLYESTER OF 1,4-BUTANEDIOL|Sucol B|Tetramethylene 1,4-diol|Tetramethylene glycol|UNII-7XOO2LE6G3|Vibracure A 250|1204746-06-4|1400594-63-9|732189-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024666 https://doi.org/10.22427/NTP-DATA-DTXSID2024666
ARPathway2016 ARPathway2016_548 1,4-Butanediol 110-63-4 DTXSID2024666 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCCCCO 1,4-Butanediol 110-63-4|1,4-Butanediol|1,4-BD|1,4-BUTANDIOL|1,4-Butanediol 1,4-butylene glycol butylene glycol|1,4-Butylene glycol|1,4-Dihydroxybutane|1,4-Tetramethylene glycol|4-01-00-02515|Agrisynth B1D|BDO|BRN 1633445|Butan-1,4-diol|Butane-1,4-diol|butano-1,4-diol|Dabco DBO|EINECS 203-786-5|HO(CH2)4OH|HOCH2CH2CH2CH2OH|NSC 406696|Polycure D|POLYESTER OF 1,4-BUTANEDIOL|Sucol B|Tetramethylene 1,4-diol|Tetramethylene glycol|UNII-7XOO2LE6G3|Vibracure A 250|1204746-06-4|1400594-63-9|732189-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024666 https://doi.org/10.22427/NTP-DATA-DTXSID2024666
ARPathway2016 ARPathway2016_548 1,4-Butanediol 110-63-4 DTXSID2024666 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCCCCO 1,4-Butanediol 110-63-4|1,4-Butanediol|1,4-BD|1,4-BUTANDIOL|1,4-Butanediol 1,4-butylene glycol butylene glycol|1,4-Butylene glycol|1,4-Dihydroxybutane|1,4-Tetramethylene glycol|4-01-00-02515|Agrisynth B1D|BDO|BRN 1633445|Butan-1,4-diol|Butane-1,4-diol|butano-1,4-diol|Dabco DBO|EINECS 203-786-5|HO(CH2)4OH|HOCH2CH2CH2CH2OH|NSC 406696|Polycure D|POLYESTER OF 1,4-BUTANEDIOL|Sucol B|Tetramethylene 1,4-diol|Tetramethylene glycol|UNII-7XOO2LE6G3|Vibracure A 250|1204746-06-4|1400594-63-9|732189-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024666 https://doi.org/10.22427/NTP-DATA-DTXSID2024666
ARPathway2016 ARPathway2016_548 1,4-Butanediol 110-63-4 DTXSID2024666 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCCCCO 1,4-Butanediol 110-63-4|1,4-Butanediol|1,4-BD|1,4-BUTANDIOL|1,4-Butanediol 1,4-butylene glycol butylene glycol|1,4-Butylene glycol|1,4-Dihydroxybutane|1,4-Tetramethylene glycol|4-01-00-02515|Agrisynth B1D|BDO|BRN 1633445|Butan-1,4-diol|Butane-1,4-diol|butano-1,4-diol|Dabco DBO|EINECS 203-786-5|HO(CH2)4OH|HOCH2CH2CH2CH2OH|NSC 406696|Polycure D|POLYESTER OF 1,4-BUTANEDIOL|Sucol B|Tetramethylene 1,4-diol|Tetramethylene glycol|UNII-7XOO2LE6G3|Vibracure A 250|1204746-06-4|1400594-63-9|732189-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024666 https://doi.org/10.22427/NTP-DATA-DTXSID2024666
ERPathway2016 ERPathway2016_1138 1,4-Butanediol 110-63-4 DTXSID2024666 ER Pathway Model, Agonist Model Score 0 Unitless OCCCCO 1,4-Butanediol 110-63-4|1,4-Butanediol|1,4-BD|1,4-BUTANDIOL|1,4-Butanediol 1,4-butylene glycol butylene glycol|1,4-Butylene glycol|1,4-Dihydroxybutane|1,4-Tetramethylene glycol|4-01-00-02515|Agrisynth B1D|BDO|BRN 1633445|Butan-1,4-diol|Butane-1,4-diol|butano-1,4-diol|Dabco DBO|EINECS 203-786-5|HO(CH2)4OH|HOCH2CH2CH2CH2OH|NSC 406696|Polycure D|POLYESTER OF 1,4-BUTANEDIOL|Sucol B|Tetramethylene 1,4-diol|Tetramethylene glycol|UNII-7XOO2LE6G3|Vibracure A 250|1204746-06-4|1400594-63-9|732189-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024666 https://doi.org/10.22427/NTP-DATA-DTXSID2024666
ERPathway2016 ERPathway2016_1138 1,4-Butanediol 110-63-4 DTXSID2024666 ER Pathway Model, Antagonist Model Score 0 Unitless OCCCCO 1,4-Butanediol 110-63-4|1,4-Butanediol|1,4-BD|1,4-BUTANDIOL|1,4-Butanediol 1,4-butylene glycol butylene glycol|1,4-Butylene glycol|1,4-Dihydroxybutane|1,4-Tetramethylene glycol|4-01-00-02515|Agrisynth B1D|BDO|BRN 1633445|Butan-1,4-diol|Butane-1,4-diol|butano-1,4-diol|Dabco DBO|EINECS 203-786-5|HO(CH2)4OH|HOCH2CH2CH2CH2OH|NSC 406696|Polycure D|POLYESTER OF 1,4-BUTANEDIOL|Sucol B|Tetramethylene 1,4-diol|Tetramethylene glycol|UNII-7XOO2LE6G3|Vibracure A 250|1204746-06-4|1400594-63-9|732189-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024666 https://doi.org/10.22427/NTP-DATA-DTXSID2024666
ERPathway2016 ERPathway2016_1138 1,4-Butanediol 110-63-4 DTXSID2024666 ER Pathway Model, Agonist Call Inactive Unitless OCCCCO 1,4-Butanediol 110-63-4|1,4-Butanediol|1,4-BD|1,4-BUTANDIOL|1,4-Butanediol 1,4-butylene glycol butylene glycol|1,4-Butylene glycol|1,4-Dihydroxybutane|1,4-Tetramethylene glycol|4-01-00-02515|Agrisynth B1D|BDO|BRN 1633445|Butan-1,4-diol|Butane-1,4-diol|butano-1,4-diol|Dabco DBO|EINECS 203-786-5|HO(CH2)4OH|HOCH2CH2CH2CH2OH|NSC 406696|Polycure D|POLYESTER OF 1,4-BUTANEDIOL|Sucol B|Tetramethylene 1,4-diol|Tetramethylene glycol|UNII-7XOO2LE6G3|Vibracure A 250|1204746-06-4|1400594-63-9|732189-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024666 https://doi.org/10.22427/NTP-DATA-DTXSID2024666
ERPathway2016 ERPathway2016_1138 1,4-Butanediol 110-63-4 DTXSID2024666 ER Pathway Model, Antagonist Call Inactive Unitless OCCCCO 1,4-Butanediol 110-63-4|1,4-Butanediol|1,4-BD|1,4-BUTANDIOL|1,4-Butanediol 1,4-butylene glycol butylene glycol|1,4-Butylene glycol|1,4-Dihydroxybutane|1,4-Tetramethylene glycol|4-01-00-02515|Agrisynth B1D|BDO|BRN 1633445|Butan-1,4-diol|Butane-1,4-diol|butano-1,4-diol|Dabco DBO|EINECS 203-786-5|HO(CH2)4OH|HOCH2CH2CH2CH2OH|NSC 406696|Polycure D|POLYESTER OF 1,4-BUTANEDIOL|Sucol B|Tetramethylene 1,4-diol|Tetramethylene glycol|UNII-7XOO2LE6G3|Vibracure A 250|1204746-06-4|1400594-63-9|732189-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024666 https://doi.org/10.22427/NTP-DATA-DTXSID2024666
ARPathway2016 ARPathway2016_497 1,4-Cyclohexanedicarboxylic acid 1076-97-7 DTXSID2038788 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1CCC(CC1)C(O)=O 1,4-Cyclohexanedicarboxylic acid 1076-97-7|1,4-Cyclohexanedicarboxylic acid|1,4-Dicarboxycyclohexane|EINECS 214-068-6|Hexahydroterephthalic acid|Terephthalic acid, hexahydro-|UNII-13LBH83IU4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2038788
ARPathway2016 ARPathway2016_497 1,4-Cyclohexanedicarboxylic acid 1076-97-7 DTXSID2038788 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1CCC(CC1)C(O)=O 1,4-Cyclohexanedicarboxylic acid 1076-97-7|1,4-Cyclohexanedicarboxylic acid|1,4-Dicarboxycyclohexane|EINECS 214-068-6|Hexahydroterephthalic acid|Terephthalic acid, hexahydro-|UNII-13LBH83IU4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2038788
ARPathway2016 ARPathway2016_497 1,4-Cyclohexanedicarboxylic acid 1076-97-7 DTXSID2038788 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1CCC(CC1)C(O)=O 1,4-Cyclohexanedicarboxylic acid 1076-97-7|1,4-Cyclohexanedicarboxylic acid|1,4-Dicarboxycyclohexane|EINECS 214-068-6|Hexahydroterephthalic acid|Terephthalic acid, hexahydro-|UNII-13LBH83IU4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2038788
ARPathway2016 ARPathway2016_497 1,4-Cyclohexanedicarboxylic acid 1076-97-7 DTXSID2038788 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1CCC(CC1)C(O)=O 1,4-Cyclohexanedicarboxylic acid 1076-97-7|1,4-Cyclohexanedicarboxylic acid|1,4-Dicarboxycyclohexane|EINECS 214-068-6|Hexahydroterephthalic acid|Terephthalic acid, hexahydro-|UNII-13LBH83IU4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2038788
ERPathway2016 ERPathway2016_1103 1,4-Cyclohexanedicarboxylic acid 1076-97-7 DTXSID2038788 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1CCC(CC1)C(O)=O 1,4-Cyclohexanedicarboxylic acid 1076-97-7|1,4-Cyclohexanedicarboxylic acid|1,4-Dicarboxycyclohexane|EINECS 214-068-6|Hexahydroterephthalic acid|Terephthalic acid, hexahydro-|UNII-13LBH83IU4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2038788
ERPathway2016 ERPathway2016_1103 1,4-Cyclohexanedicarboxylic acid 1076-97-7 DTXSID2038788 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1CCC(CC1)C(O)=O 1,4-Cyclohexanedicarboxylic acid 1076-97-7|1,4-Cyclohexanedicarboxylic acid|1,4-Dicarboxycyclohexane|EINECS 214-068-6|Hexahydroterephthalic acid|Terephthalic acid, hexahydro-|UNII-13LBH83IU4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2038788
ERPathway2016 ERPathway2016_1103 1,4-Cyclohexanedicarboxylic acid 1076-97-7 DTXSID2038788 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1CCC(CC1)C(O)=O 1,4-Cyclohexanedicarboxylic acid 1076-97-7|1,4-Cyclohexanedicarboxylic acid|1,4-Dicarboxycyclohexane|EINECS 214-068-6|Hexahydroterephthalic acid|Terephthalic acid, hexahydro-|UNII-13LBH83IU4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2038788
ERPathway2016 ERPathway2016_1103 1,4-Cyclohexanedicarboxylic acid 1076-97-7 DTXSID2038788 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1CCC(CC1)C(O)=O 1,4-Cyclohexanedicarboxylic acid 1076-97-7|1,4-Cyclohexanedicarboxylic acid|1,4-Dicarboxycyclohexane|EINECS 214-068-6|Hexahydroterephthalic acid|Terephthalic acid, hexahydro-|UNII-13LBH83IU4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2038788
ARPathway2016 ARPathway2016_349 1,4-Diaminoanthraquinone 128-95-0 DTXSID2041252 0.0 R5 AR Pathway Model, Antagonist ACC 62.33937348 uM NC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O 1,4-Diaminoanthraquinone 128-95-0|1,4-Diaminoanthraquinone|1,4-Anthraquinonyldiamine|1,4-Diamino-9-10-anthraquinone|1,4-Diamino-9,10-anthraquinone|1,4-Diaminoanthrachinon|1,4-diaminoantraquinona|9,10-Anthracenedione, 1,4-diamino-|Acetate Red Violet R|Acetoquinone Light Heliotrope NL|Acetylon Fast Red Violet R|Akasperse Violet 3R|Amacel Heliotrope R|Amaplast Red Violet P 2R|Anthraquinone, 1,4-diamino-|Artisil Direct Violet 2RP|Artisil Violet 2RP|C.I. 61100|C.I. disperse violet 001|C.I. DISPERSE VIOLET 1|C.I. Disperse Violet 9|C.I. Solvent Violet 11|Celanthrene Red Violet R|Celliton Fast Red Violet|Celliton Fast Red Violet R|Celliton Fast Red Violet RN|Celliton Fast Red Violet RNA-CF|Celliton Fast Violet R|Celliton Red Violet RN|Celutate Red Violet RH|Cibacet Violet 2R|Cibacet Violet 2RI|Cibacet Violet E 2R|Cibacet Violet E2R|Cibacete Violet 2R|Cilla Fast Red Violet RN|Diacelliton Fast Violet 3R|Diacelliton Fast Violet 5R|Disperse Violet 1|Disperse Violet K|Dispersive Violet K|Dispersol Violet B 2RA|Duranol Violet 2R|Duranol Violet 2R, 1,4-diamino-|EINECS 204-922-6|Fen|168681-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041252
ARPathway2016 ARPathway2016_349 1,4-Diaminoanthraquinone 128-95-0 DTXSID2041252 0.0 R5 AR Pathway Model, Antagonist AC50 8.20890019925237 uM NC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O 1,4-Diaminoanthraquinone 128-95-0|1,4-Diaminoanthraquinone|1,4-Anthraquinonyldiamine|1,4-Diamino-9-10-anthraquinone|1,4-Diamino-9,10-anthraquinone|1,4-Diaminoanthrachinon|1,4-diaminoantraquinona|9,10-Anthracenedione, 1,4-diamino-|Acetate Red Violet R|Acetoquinone Light Heliotrope NL|Acetylon Fast Red Violet R|Akasperse Violet 3R|Amacel Heliotrope R|Amaplast Red Violet P 2R|Anthraquinone, 1,4-diamino-|Artisil Direct Violet 2RP|Artisil Violet 2RP|C.I. 61100|C.I. disperse violet 001|C.I. DISPERSE VIOLET 1|C.I. Disperse Violet 9|C.I. Solvent Violet 11|Celanthrene Red Violet R|Celliton Fast Red Violet|Celliton Fast Red Violet R|Celliton Fast Red Violet RN|Celliton Fast Red Violet RNA-CF|Celliton Fast Violet R|Celliton Red Violet RN|Celutate Red Violet RH|Cibacet Violet 2R|Cibacet Violet 2RI|Cibacet Violet E 2R|Cibacet Violet E2R|Cibacete Violet 2R|Cilla Fast Red Violet RN|Diacelliton Fast Violet 3R|Diacelliton Fast Violet 5R|Disperse Violet 1|Disperse Violet K|Dispersive Violet K|Dispersol Violet B 2RA|Duranol Violet 2R|Duranol Violet 2R, 1,4-diamino-|EINECS 204-922-6|Fen|168681-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041252
ARPathway2016 ARPathway2016_349 1,4-Diaminoanthraquinone 128-95-0 DTXSID2041252 0.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O 1,4-Diaminoanthraquinone 128-95-0|1,4-Diaminoanthraquinone|1,4-Anthraquinonyldiamine|1,4-Diamino-9-10-anthraquinone|1,4-Diamino-9,10-anthraquinone|1,4-Diaminoanthrachinon|1,4-diaminoantraquinona|9,10-Anthracenedione, 1,4-diamino-|Acetate Red Violet R|Acetoquinone Light Heliotrope NL|Acetylon Fast Red Violet R|Akasperse Violet 3R|Amacel Heliotrope R|Amaplast Red Violet P 2R|Anthraquinone, 1,4-diamino-|Artisil Direct Violet 2RP|Artisil Violet 2RP|C.I. 61100|C.I. disperse violet 001|C.I. DISPERSE VIOLET 1|C.I. Disperse Violet 9|C.I. Solvent Violet 11|Celanthrene Red Violet R|Celliton Fast Red Violet|Celliton Fast Red Violet R|Celliton Fast Red Violet RN|Celliton Fast Red Violet RNA-CF|Celliton Fast Violet R|Celliton Red Violet RN|Celutate Red Violet RH|Cibacet Violet 2R|Cibacet Violet 2RI|Cibacet Violet E 2R|Cibacet Violet E2R|Cibacete Violet 2R|Cilla Fast Red Violet RN|Diacelliton Fast Violet 3R|Diacelliton Fast Violet 5R|Disperse Violet 1|Disperse Violet K|Dispersive Violet K|Dispersol Violet B 2RA|Duranol Violet 2R|Duranol Violet 2R, 1,4-diamino-|EINECS 204-922-6|Fen|168681-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041252
ARPathway2016 ARPathway2016_349 1,4-Diaminoanthraquinone 128-95-0 DTXSID2041252 0.0 R5 AR Pathway Model, Agonist Model Score 0.0102 Unitless NC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O 1,4-Diaminoanthraquinone 128-95-0|1,4-Diaminoanthraquinone|1,4-Anthraquinonyldiamine|1,4-Diamino-9-10-anthraquinone|1,4-Diamino-9,10-anthraquinone|1,4-Diaminoanthrachinon|1,4-diaminoantraquinona|9,10-Anthracenedione, 1,4-diamino-|Acetate Red Violet R|Acetoquinone Light Heliotrope NL|Acetylon Fast Red Violet R|Akasperse Violet 3R|Amacel Heliotrope R|Amaplast Red Violet P 2R|Anthraquinone, 1,4-diamino-|Artisil Direct Violet 2RP|Artisil Violet 2RP|C.I. 61100|C.I. disperse violet 001|C.I. DISPERSE VIOLET 1|C.I. Disperse Violet 9|C.I. Solvent Violet 11|Celanthrene Red Violet R|Celliton Fast Red Violet|Celliton Fast Red Violet R|Celliton Fast Red Violet RN|Celliton Fast Red Violet RNA-CF|Celliton Fast Violet R|Celliton Red Violet RN|Celutate Red Violet RH|Cibacet Violet 2R|Cibacet Violet 2RI|Cibacet Violet E 2R|Cibacet Violet E2R|Cibacete Violet 2R|Cilla Fast Red Violet RN|Diacelliton Fast Violet 3R|Diacelliton Fast Violet 5R|Disperse Violet 1|Disperse Violet K|Dispersive Violet K|Dispersol Violet B 2RA|Duranol Violet 2R|Duranol Violet 2R, 1,4-diamino-|EINECS 204-922-6|Fen|168681-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041252
ARPathway2016 ARPathway2016_349 1,4-Diaminoanthraquinone 128-95-0 DTXSID2041252 0.0 R5 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O 1,4-Diaminoanthraquinone 128-95-0|1,4-Diaminoanthraquinone|1,4-Anthraquinonyldiamine|1,4-Diamino-9-10-anthraquinone|1,4-Diamino-9,10-anthraquinone|1,4-Diaminoanthrachinon|1,4-diaminoantraquinona|9,10-Anthracenedione, 1,4-diamino-|Acetate Red Violet R|Acetoquinone Light Heliotrope NL|Acetylon Fast Red Violet R|Akasperse Violet 3R|Amacel Heliotrope R|Amaplast Red Violet P 2R|Anthraquinone, 1,4-diamino-|Artisil Direct Violet 2RP|Artisil Violet 2RP|C.I. 61100|C.I. disperse violet 001|C.I. DISPERSE VIOLET 1|C.I. Disperse Violet 9|C.I. Solvent Violet 11|Celanthrene Red Violet R|Celliton Fast Red Violet|Celliton Fast Red Violet R|Celliton Fast Red Violet RN|Celliton Fast Red Violet RNA-CF|Celliton Fast Violet R|Celliton Red Violet RN|Celutate Red Violet RH|Cibacet Violet 2R|Cibacet Violet 2RI|Cibacet Violet E 2R|Cibacet Violet E2R|Cibacete Violet 2R|Cilla Fast Red Violet RN|Diacelliton Fast Violet 3R|Diacelliton Fast Violet 5R|Disperse Violet 1|Disperse Violet K|Dispersive Violet K|Dispersol Violet B 2RA|Duranol Violet 2R|Duranol Violet 2R, 1,4-diamino-|EINECS 204-922-6|Fen|168681-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041252
ARPathway2016 ARPathway2016_349 1,4-Diaminoanthraquinone 128-95-0 DTXSID2041252 0.0 R5 AR Pathway Model, Antagonist Call Active Unitless NC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O 1,4-Diaminoanthraquinone 128-95-0|1,4-Diaminoanthraquinone|1,4-Anthraquinonyldiamine|1,4-Diamino-9-10-anthraquinone|1,4-Diamino-9,10-anthraquinone|1,4-Diaminoanthrachinon|1,4-diaminoantraquinona|9,10-Anthracenedione, 1,4-diamino-|Acetate Red Violet R|Acetoquinone Light Heliotrope NL|Acetylon Fast Red Violet R|Akasperse Violet 3R|Amacel Heliotrope R|Amaplast Red Violet P 2R|Anthraquinone, 1,4-diamino-|Artisil Direct Violet 2RP|Artisil Violet 2RP|C.I. 61100|C.I. disperse violet 001|C.I. DISPERSE VIOLET 1|C.I. Disperse Violet 9|C.I. Solvent Violet 11|Celanthrene Red Violet R|Celliton Fast Red Violet|Celliton Fast Red Violet R|Celliton Fast Red Violet RN|Celliton Fast Red Violet RNA-CF|Celliton Fast Violet R|Celliton Red Violet RN|Celutate Red Violet RH|Cibacet Violet 2R|Cibacet Violet 2RI|Cibacet Violet E 2R|Cibacet Violet E2R|Cibacete Violet 2R|Cilla Fast Red Violet RN|Diacelliton Fast Violet 3R|Diacelliton Fast Violet 5R|Disperse Violet 1|Disperse Violet K|Dispersive Violet K|Dispersol Violet B 2RA|Duranol Violet 2R|Duranol Violet 2R, 1,4-diamino-|EINECS 204-922-6|Fen|168681-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041252
ERPathway2016 ERPathway2016_1265 1,4-Diaminoanthraquinone 128-95-0 DTXSID2041252 ER Pathway Model, Agonist Model Score 0 Unitless NC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O 1,4-Diaminoanthraquinone 128-95-0|1,4-Diaminoanthraquinone|1,4-Anthraquinonyldiamine|1,4-Diamino-9-10-anthraquinone|1,4-Diamino-9,10-anthraquinone|1,4-Diaminoanthrachinon|1,4-diaminoantraquinona|9,10-Anthracenedione, 1,4-diamino-|Acetate Red Violet R|Acetoquinone Light Heliotrope NL|Acetylon Fast Red Violet R|Akasperse Violet 3R|Amacel Heliotrope R|Amaplast Red Violet P 2R|Anthraquinone, 1,4-diamino-|Artisil Direct Violet 2RP|Artisil Violet 2RP|C.I. 61100|C.I. disperse violet 001|C.I. DISPERSE VIOLET 1|C.I. Disperse Violet 9|C.I. Solvent Violet 11|Celanthrene Red Violet R|Celliton Fast Red Violet|Celliton Fast Red Violet R|Celliton Fast Red Violet RN|Celliton Fast Red Violet RNA-CF|Celliton Fast Violet R|Celliton Red Violet RN|Celutate Red Violet RH|Cibacet Violet 2R|Cibacet Violet 2RI|Cibacet Violet E 2R|Cibacet Violet E2R|Cibacete Violet 2R|Cilla Fast Red Violet RN|Diacelliton Fast Violet 3R|Diacelliton Fast Violet 5R|Disperse Violet 1|Disperse Violet K|Dispersive Violet K|Dispersol Violet B 2RA|Duranol Violet 2R|Duranol Violet 2R, 1,4-diamino-|EINECS 204-922-6|Fen|168681-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041252
ERPathway2016 ERPathway2016_1265 1,4-Diaminoanthraquinone 128-95-0 DTXSID2041252 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O 1,4-Diaminoanthraquinone 128-95-0|1,4-Diaminoanthraquinone|1,4-Anthraquinonyldiamine|1,4-Diamino-9-10-anthraquinone|1,4-Diamino-9,10-anthraquinone|1,4-Diaminoanthrachinon|1,4-diaminoantraquinona|9,10-Anthracenedione, 1,4-diamino-|Acetate Red Violet R|Acetoquinone Light Heliotrope NL|Acetylon Fast Red Violet R|Akasperse Violet 3R|Amacel Heliotrope R|Amaplast Red Violet P 2R|Anthraquinone, 1,4-diamino-|Artisil Direct Violet 2RP|Artisil Violet 2RP|C.I. 61100|C.I. disperse violet 001|C.I. DISPERSE VIOLET 1|C.I. Disperse Violet 9|C.I. Solvent Violet 11|Celanthrene Red Violet R|Celliton Fast Red Violet|Celliton Fast Red Violet R|Celliton Fast Red Violet RN|Celliton Fast Red Violet RNA-CF|Celliton Fast Violet R|Celliton Red Violet RN|Celutate Red Violet RH|Cibacet Violet 2R|Cibacet Violet 2RI|Cibacet Violet E 2R|Cibacet Violet E2R|Cibacete Violet 2R|Cilla Fast Red Violet RN|Diacelliton Fast Violet 3R|Diacelliton Fast Violet 5R|Disperse Violet 1|Disperse Violet K|Dispersive Violet K|Dispersol Violet B 2RA|Duranol Violet 2R|Duranol Violet 2R, 1,4-diamino-|EINECS 204-922-6|Fen|168681-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041252
ERPathway2016 ERPathway2016_1265 1,4-Diaminoanthraquinone 128-95-0 DTXSID2041252 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O 1,4-Diaminoanthraquinone 128-95-0|1,4-Diaminoanthraquinone|1,4-Anthraquinonyldiamine|1,4-Diamino-9-10-anthraquinone|1,4-Diamino-9,10-anthraquinone|1,4-Diaminoanthrachinon|1,4-diaminoantraquinona|9,10-Anthracenedione, 1,4-diamino-|Acetate Red Violet R|Acetoquinone Light Heliotrope NL|Acetylon Fast Red Violet R|Akasperse Violet 3R|Amacel Heliotrope R|Amaplast Red Violet P 2R|Anthraquinone, 1,4-diamino-|Artisil Direct Violet 2RP|Artisil Violet 2RP|C.I. 61100|C.I. disperse violet 001|C.I. DISPERSE VIOLET 1|C.I. Disperse Violet 9|C.I. Solvent Violet 11|Celanthrene Red Violet R|Celliton Fast Red Violet|Celliton Fast Red Violet R|Celliton Fast Red Violet RN|Celliton Fast Red Violet RNA-CF|Celliton Fast Violet R|Celliton Red Violet RN|Celutate Red Violet RH|Cibacet Violet 2R|Cibacet Violet 2RI|Cibacet Violet E 2R|Cibacet Violet E2R|Cibacete Violet 2R|Cilla Fast Red Violet RN|Diacelliton Fast Violet 3R|Diacelliton Fast Violet 5R|Disperse Violet 1|Disperse Violet K|Dispersive Violet K|Dispersol Violet B 2RA|Duranol Violet 2R|Duranol Violet 2R, 1,4-diamino-|EINECS 204-922-6|Fen|168681-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041252
ERPathway2016 ERPathway2016_1265 1,4-Diaminoanthraquinone 128-95-0 DTXSID2041252 ER Pathway Model, Antagonist Call Inactive Unitless NC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O 1,4-Diaminoanthraquinone 128-95-0|1,4-Diaminoanthraquinone|1,4-Anthraquinonyldiamine|1,4-Diamino-9-10-anthraquinone|1,4-Diamino-9,10-anthraquinone|1,4-Diaminoanthrachinon|1,4-diaminoantraquinona|9,10-Anthracenedione, 1,4-diamino-|Acetate Red Violet R|Acetoquinone Light Heliotrope NL|Acetylon Fast Red Violet R|Akasperse Violet 3R|Amacel Heliotrope R|Amaplast Red Violet P 2R|Anthraquinone, 1,4-diamino-|Artisil Direct Violet 2RP|Artisil Violet 2RP|C.I. 61100|C.I. disperse violet 001|C.I. DISPERSE VIOLET 1|C.I. Disperse Violet 9|C.I. Solvent Violet 11|Celanthrene Red Violet R|Celliton Fast Red Violet|Celliton Fast Red Violet R|Celliton Fast Red Violet RN|Celliton Fast Red Violet RNA-CF|Celliton Fast Violet R|Celliton Red Violet RN|Celutate Red Violet RH|Cibacet Violet 2R|Cibacet Violet 2RI|Cibacet Violet E 2R|Cibacet Violet E2R|Cibacete Violet 2R|Cilla Fast Red Violet RN|Diacelliton Fast Violet 3R|Diacelliton Fast Violet 5R|Disperse Violet 1|Disperse Violet K|Dispersive Violet K|Dispersol Violet B 2RA|Duranol Violet 2R|Duranol Violet 2R, 1,4-diamino-|EINECS 204-922-6|Fen|168681-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041252
ARPathway2016 ARPathway2016_474 1,4-Dichlorobenzene 106-46-7 DTXSID1020431 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=C(Cl)C=C1 1,4-Dichlorobenzene 106-46-7|1,4-Dichlorobenzene|1, 4-Dichloorbenzeen(DUTCH)|1, 4-Dichlorobenzene|1,4-Chlorobenzene|1,4-Dichloorbenzeen|1,4-Dichlor-benzol|1,4-Dichlor-benzol(GERMAN)|1,4-Dichlorbenzol|1,4-Dichloro-Benzene|1,4-Dichlorobenzene|1,4-Dichlorobenzene (ACD/Name 4.0)|1,4-diclorobenceno|1,4-Diclorobenzene|1,4-Diclorobenzene(ITALIAN)|Benzene, 1,4-dichloro-|BENZENE, P-DICHLORO|Benzene, p-dichloro-|Caswell No. 632|Di-chloricide|Dichlorobenzene|Dichlorobenzene, p-, solid|Dichlorobenzene, para|Dichlorobenzene, para-|Dichlorocide|EINECS 203-400-5|EPA Pesticide Chemical Code 061501|Evola|Globol|Kaydox|NCI-C54955|NSC 36935|p-Chlorophenyl chloride|p-Dichloorbenzeen|p-Dichloorbenzeen(DUTCH)|p-Dichlorbenzene|P-DICHLORBENZOL|p-Dichlorbenzol(GERMAN)|p-Dichloro-Benzene|p-dichlorobenzene|p-Dichlorobenzol|p-Diclorobenzene|p-Diclorobenzene(ITALIAN)|PARA|Para crystals|para-Dichlorobenzene|Paracide|Paradi|Paradichlorbenzol|Paradichlorobenzene|Paradichlorobenzol|Paradow|Paramoth|Paranuggets|Parazene|PDB|PDCB|Persia-Perazol|Rcra waste number U070|Rcra waste number U071|R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020431 https://doi.org/10.22427/NTP-DATA-DTXSID1020431
ARPathway2016 ARPathway2016_474 1,4-Dichlorobenzene 106-46-7 DTXSID1020431 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=C(Cl)C=C1 1,4-Dichlorobenzene 106-46-7|1,4-Dichlorobenzene|1, 4-Dichloorbenzeen(DUTCH)|1, 4-Dichlorobenzene|1,4-Chlorobenzene|1,4-Dichloorbenzeen|1,4-Dichlor-benzol|1,4-Dichlor-benzol(GERMAN)|1,4-Dichlorbenzol|1,4-Dichloro-Benzene|1,4-Dichlorobenzene|1,4-Dichlorobenzene (ACD/Name 4.0)|1,4-diclorobenceno|1,4-Diclorobenzene|1,4-Diclorobenzene(ITALIAN)|Benzene, 1,4-dichloro-|BENZENE, P-DICHLORO|Benzene, p-dichloro-|Caswell No. 632|Di-chloricide|Dichlorobenzene|Dichlorobenzene, p-, solid|Dichlorobenzene, para|Dichlorobenzene, para-|Dichlorocide|EINECS 203-400-5|EPA Pesticide Chemical Code 061501|Evola|Globol|Kaydox|NCI-C54955|NSC 36935|p-Chlorophenyl chloride|p-Dichloorbenzeen|p-Dichloorbenzeen(DUTCH)|p-Dichlorbenzene|P-DICHLORBENZOL|p-Dichlorbenzol(GERMAN)|p-Dichloro-Benzene|p-dichlorobenzene|p-Dichlorobenzol|p-Diclorobenzene|p-Diclorobenzene(ITALIAN)|PARA|Para crystals|para-Dichlorobenzene|Paracide|Paradi|Paradichlorbenzol|Paradichlorobenzene|Paradichlorobenzol|Paradow|Paramoth|Paranuggets|Parazene|PDB|PDCB|Persia-Perazol|Rcra waste number U070|Rcra waste number U071|R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020431 https://doi.org/10.22427/NTP-DATA-DTXSID1020431
ARPathway2016 ARPathway2016_474 1,4-Dichlorobenzene 106-46-7 DTXSID1020431 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC1=CC=C(Cl)C=C1 1,4-Dichlorobenzene 106-46-7|1,4-Dichlorobenzene|1, 4-Dichloorbenzeen(DUTCH)|1, 4-Dichlorobenzene|1,4-Chlorobenzene|1,4-Dichloorbenzeen|1,4-Dichlor-benzol|1,4-Dichlor-benzol(GERMAN)|1,4-Dichlorbenzol|1,4-Dichloro-Benzene|1,4-Dichlorobenzene|1,4-Dichlorobenzene (ACD/Name 4.0)|1,4-diclorobenceno|1,4-Diclorobenzene|1,4-Diclorobenzene(ITALIAN)|Benzene, 1,4-dichloro-|BENZENE, P-DICHLORO|Benzene, p-dichloro-|Caswell No. 632|Di-chloricide|Dichlorobenzene|Dichlorobenzene, p-, solid|Dichlorobenzene, para|Dichlorobenzene, para-|Dichlorocide|EINECS 203-400-5|EPA Pesticide Chemical Code 061501|Evola|Globol|Kaydox|NCI-C54955|NSC 36935|p-Chlorophenyl chloride|p-Dichloorbenzeen|p-Dichloorbenzeen(DUTCH)|p-Dichlorbenzene|P-DICHLORBENZOL|p-Dichlorbenzol(GERMAN)|p-Dichloro-Benzene|p-dichlorobenzene|p-Dichlorobenzol|p-Diclorobenzene|p-Diclorobenzene(ITALIAN)|PARA|Para crystals|para-Dichlorobenzene|Paracide|Paradi|Paradichlorbenzol|Paradichlorobenzene|Paradichlorobenzol|Paradow|Paramoth|Paranuggets|Parazene|PDB|PDCB|Persia-Perazol|Rcra waste number U070|Rcra waste number U071|R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020431 https://doi.org/10.22427/NTP-DATA-DTXSID1020431
ARPathway2016 ARPathway2016_474 1,4-Dichlorobenzene 106-46-7 DTXSID1020431 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=C(Cl)C=C1 1,4-Dichlorobenzene 106-46-7|1,4-Dichlorobenzene|1, 4-Dichloorbenzeen(DUTCH)|1, 4-Dichlorobenzene|1,4-Chlorobenzene|1,4-Dichloorbenzeen|1,4-Dichlor-benzol|1,4-Dichlor-benzol(GERMAN)|1,4-Dichlorbenzol|1,4-Dichloro-Benzene|1,4-Dichlorobenzene|1,4-Dichlorobenzene (ACD/Name 4.0)|1,4-diclorobenceno|1,4-Diclorobenzene|1,4-Diclorobenzene(ITALIAN)|Benzene, 1,4-dichloro-|BENZENE, P-DICHLORO|Benzene, p-dichloro-|Caswell No. 632|Di-chloricide|Dichlorobenzene|Dichlorobenzene, p-, solid|Dichlorobenzene, para|Dichlorobenzene, para-|Dichlorocide|EINECS 203-400-5|EPA Pesticide Chemical Code 061501|Evola|Globol|Kaydox|NCI-C54955|NSC 36935|p-Chlorophenyl chloride|p-Dichloorbenzeen|p-Dichloorbenzeen(DUTCH)|p-Dichlorbenzene|P-DICHLORBENZOL|p-Dichlorbenzol(GERMAN)|p-Dichloro-Benzene|p-dichlorobenzene|p-Dichlorobenzol|p-Diclorobenzene|p-Diclorobenzene(ITALIAN)|PARA|Para crystals|para-Dichlorobenzene|Paracide|Paradi|Paradichlorbenzol|Paradichlorobenzene|Paradichlorobenzol|Paradow|Paramoth|Paranuggets|Parazene|PDB|PDCB|Persia-Perazol|Rcra waste number U070|Rcra waste number U071|R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020431 https://doi.org/10.22427/NTP-DATA-DTXSID1020431
ERPathway2016 ERPathway2016_1088 1,4-Dichlorobenzene 106-46-7 DTXSID1020431 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=C(Cl)C=C1 1,4-Dichlorobenzene 106-46-7|1,4-Dichlorobenzene|1, 4-Dichloorbenzeen(DUTCH)|1, 4-Dichlorobenzene|1,4-Chlorobenzene|1,4-Dichloorbenzeen|1,4-Dichlor-benzol|1,4-Dichlor-benzol(GERMAN)|1,4-Dichlorbenzol|1,4-Dichloro-Benzene|1,4-Dichlorobenzene|1,4-Dichlorobenzene (ACD/Name 4.0)|1,4-diclorobenceno|1,4-Diclorobenzene|1,4-Diclorobenzene(ITALIAN)|Benzene, 1,4-dichloro-|BENZENE, P-DICHLORO|Benzene, p-dichloro-|Caswell No. 632|Di-chloricide|Dichlorobenzene|Dichlorobenzene, p-, solid|Dichlorobenzene, para|Dichlorobenzene, para-|Dichlorocide|EINECS 203-400-5|EPA Pesticide Chemical Code 061501|Evola|Globol|Kaydox|NCI-C54955|NSC 36935|p-Chlorophenyl chloride|p-Dichloorbenzeen|p-Dichloorbenzeen(DUTCH)|p-Dichlorbenzene|P-DICHLORBENZOL|p-Dichlorbenzol(GERMAN)|p-Dichloro-Benzene|p-dichlorobenzene|p-Dichlorobenzol|p-Diclorobenzene|p-Diclorobenzene(ITALIAN)|PARA|Para crystals|para-Dichlorobenzene|Paracide|Paradi|Paradichlorbenzol|Paradichlorobenzene|Paradichlorobenzol|Paradow|Paramoth|Paranuggets|Parazene|PDB|PDCB|Persia-Perazol|Rcra waste number U070|Rcra waste number U071|R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020431 https://doi.org/10.22427/NTP-DATA-DTXSID1020431
ERPathway2016 ERPathway2016_1088 1,4-Dichlorobenzene 106-46-7 DTXSID1020431 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=C(Cl)C=C1 1,4-Dichlorobenzene 106-46-7|1,4-Dichlorobenzene|1, 4-Dichloorbenzeen(DUTCH)|1, 4-Dichlorobenzene|1,4-Chlorobenzene|1,4-Dichloorbenzeen|1,4-Dichlor-benzol|1,4-Dichlor-benzol(GERMAN)|1,4-Dichlorbenzol|1,4-Dichloro-Benzene|1,4-Dichlorobenzene|1,4-Dichlorobenzene (ACD/Name 4.0)|1,4-diclorobenceno|1,4-Diclorobenzene|1,4-Diclorobenzene(ITALIAN)|Benzene, 1,4-dichloro-|BENZENE, P-DICHLORO|Benzene, p-dichloro-|Caswell No. 632|Di-chloricide|Dichlorobenzene|Dichlorobenzene, p-, solid|Dichlorobenzene, para|Dichlorobenzene, para-|Dichlorocide|EINECS 203-400-5|EPA Pesticide Chemical Code 061501|Evola|Globol|Kaydox|NCI-C54955|NSC 36935|p-Chlorophenyl chloride|p-Dichloorbenzeen|p-Dichloorbenzeen(DUTCH)|p-Dichlorbenzene|P-DICHLORBENZOL|p-Dichlorbenzol(GERMAN)|p-Dichloro-Benzene|p-dichlorobenzene|p-Dichlorobenzol|p-Diclorobenzene|p-Diclorobenzene(ITALIAN)|PARA|Para crystals|para-Dichlorobenzene|Paracide|Paradi|Paradichlorbenzol|Paradichlorobenzene|Paradichlorobenzol|Paradow|Paramoth|Paranuggets|Parazene|PDB|PDCB|Persia-Perazol|Rcra waste number U070|Rcra waste number U071|R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020431 https://doi.org/10.22427/NTP-DATA-DTXSID1020431
ERPathway2016 ERPathway2016_1088 1,4-Dichlorobenzene 106-46-7 DTXSID1020431 ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC=C(Cl)C=C1 1,4-Dichlorobenzene 106-46-7|1,4-Dichlorobenzene|1, 4-Dichloorbenzeen(DUTCH)|1, 4-Dichlorobenzene|1,4-Chlorobenzene|1,4-Dichloorbenzeen|1,4-Dichlor-benzol|1,4-Dichlor-benzol(GERMAN)|1,4-Dichlorbenzol|1,4-Dichloro-Benzene|1,4-Dichlorobenzene|1,4-Dichlorobenzene (ACD/Name 4.0)|1,4-diclorobenceno|1,4-Diclorobenzene|1,4-Diclorobenzene(ITALIAN)|Benzene, 1,4-dichloro-|BENZENE, P-DICHLORO|Benzene, p-dichloro-|Caswell No. 632|Di-chloricide|Dichlorobenzene|Dichlorobenzene, p-, solid|Dichlorobenzene, para|Dichlorobenzene, para-|Dichlorocide|EINECS 203-400-5|EPA Pesticide Chemical Code 061501|Evola|Globol|Kaydox|NCI-C54955|NSC 36935|p-Chlorophenyl chloride|p-Dichloorbenzeen|p-Dichloorbenzeen(DUTCH)|p-Dichlorbenzene|P-DICHLORBENZOL|p-Dichlorbenzol(GERMAN)|p-Dichloro-Benzene|p-dichlorobenzene|p-Dichlorobenzol|p-Diclorobenzene|p-Diclorobenzene(ITALIAN)|PARA|Para crystals|para-Dichlorobenzene|Paracide|Paradi|Paradichlorbenzol|Paradichlorobenzene|Paradichlorobenzol|Paradow|Paramoth|Paranuggets|Parazene|PDB|PDCB|Persia-Perazol|Rcra waste number U070|Rcra waste number U071|R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020431 https://doi.org/10.22427/NTP-DATA-DTXSID1020431
ERPathway2016 ERPathway2016_1088 1,4-Dichlorobenzene 106-46-7 DTXSID1020431 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=C(Cl)C=C1 1,4-Dichlorobenzene 106-46-7|1,4-Dichlorobenzene|1, 4-Dichloorbenzeen(DUTCH)|1, 4-Dichlorobenzene|1,4-Chlorobenzene|1,4-Dichloorbenzeen|1,4-Dichlor-benzol|1,4-Dichlor-benzol(GERMAN)|1,4-Dichlorbenzol|1,4-Dichloro-Benzene|1,4-Dichlorobenzene|1,4-Dichlorobenzene (ACD/Name 4.0)|1,4-diclorobenceno|1,4-Diclorobenzene|1,4-Diclorobenzene(ITALIAN)|Benzene, 1,4-dichloro-|BENZENE, P-DICHLORO|Benzene, p-dichloro-|Caswell No. 632|Di-chloricide|Dichlorobenzene|Dichlorobenzene, p-, solid|Dichlorobenzene, para|Dichlorobenzene, para-|Dichlorocide|EINECS 203-400-5|EPA Pesticide Chemical Code 061501|Evola|Globol|Kaydox|NCI-C54955|NSC 36935|p-Chlorophenyl chloride|p-Dichloorbenzeen|p-Dichloorbenzeen(DUTCH)|p-Dichlorbenzene|P-DICHLORBENZOL|p-Dichlorbenzol(GERMAN)|p-Dichloro-Benzene|p-dichlorobenzene|p-Dichlorobenzol|p-Diclorobenzene|p-Diclorobenzene(ITALIAN)|PARA|Para crystals|para-Dichlorobenzene|Paracide|Paradi|Paradichlorbenzol|Paradichlorobenzene|Paradichlorobenzol|Paradow|Paramoth|Paranuggets|Parazene|PDB|PDCB|Persia-Perazol|Rcra waste number U070|Rcra waste number U071|R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020431 https://doi.org/10.22427/NTP-DATA-DTXSID1020431
ARPathway2016 ARPathway2016_151 1,4-Dihydroxy-2-naphthoic acid 31519-22-9 DTXSID0037730 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 36.39755826 uM OC(=O)C1=C(O)C2=CC=CC=C2C(O)=C1 1,4-Dihydroxy-2-naphthoic acid 31519-22-9|1,4-Dihydroxy-2-naphthoic acid|1,4-Dihydroxy-2-naphthalenecarboxylic acid|1,4-dihydroxynaphthalene-2-carboxylic acid|EINECS 250-674-7|UNII-1U77MR5Q7O https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037730
ARPathway2016 ARPathway2016_151 1,4-Dihydroxy-2-naphthoic acid 31519-22-9 DTXSID0037730 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 30.94251082 uM OC(=O)C1=C(O)C2=CC=CC=C2C(O)=C1 1,4-Dihydroxy-2-naphthoic acid 31519-22-9|1,4-Dihydroxy-2-naphthoic acid|1,4-Dihydroxy-2-naphthalenecarboxylic acid|1,4-dihydroxynaphthalene-2-carboxylic acid|EINECS 250-674-7|UNII-1U77MR5Q7O https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037730
ARPathway2016 ARPathway2016_151 1,4-Dihydroxy-2-naphthoic acid 31519-22-9 DTXSID0037730 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.204 Unitless OC(=O)C1=C(O)C2=CC=CC=C2C(O)=C1 1,4-Dihydroxy-2-naphthoic acid 31519-22-9|1,4-Dihydroxy-2-naphthoic acid|1,4-Dihydroxy-2-naphthalenecarboxylic acid|1,4-dihydroxynaphthalene-2-carboxylic acid|EINECS 250-674-7|UNII-1U77MR5Q7O https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037730
ARPathway2016 ARPathway2016_151 1,4-Dihydroxy-2-naphthoic acid 31519-22-9 DTXSID0037730 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=C(O)C2=CC=CC=C2C(O)=C1 1,4-Dihydroxy-2-naphthoic acid 31519-22-9|1,4-Dihydroxy-2-naphthoic acid|1,4-Dihydroxy-2-naphthalenecarboxylic acid|1,4-dihydroxynaphthalene-2-carboxylic acid|EINECS 250-674-7|UNII-1U77MR5Q7O https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037730
ARPathway2016 ARPathway2016_151 1,4-Dihydroxy-2-naphthoic acid 31519-22-9 DTXSID0037730 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC(=O)C1=C(O)C2=CC=CC=C2C(O)=C1 1,4-Dihydroxy-2-naphthoic acid 31519-22-9|1,4-Dihydroxy-2-naphthoic acid|1,4-Dihydroxy-2-naphthalenecarboxylic acid|1,4-dihydroxynaphthalene-2-carboxylic acid|EINECS 250-674-7|UNII-1U77MR5Q7O https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037730
ARPathway2016 ARPathway2016_151 1,4-Dihydroxy-2-naphthoic acid 31519-22-9 DTXSID0037730 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=C(O)C2=CC=CC=C2C(O)=C1 1,4-Dihydroxy-2-naphthoic acid 31519-22-9|1,4-Dihydroxy-2-naphthoic acid|1,4-Dihydroxy-2-naphthalenecarboxylic acid|1,4-dihydroxynaphthalene-2-carboxylic acid|EINECS 250-674-7|UNII-1U77MR5Q7O https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037730
ERPathway2016 ERPathway2016_109 1,4-Dihydroxy-2-naphthoic acid 31519-22-9 DTXSID0037730 ER Pathway Model, Agonist AC50 3.66799670489181 uM OC(=O)C1=C(O)C2=CC=CC=C2C(O)=C1 1,4-Dihydroxy-2-naphthoic acid 31519-22-9|1,4-Dihydroxy-2-naphthoic acid|1,4-Dihydroxy-2-naphthalenecarboxylic acid|1,4-dihydroxynaphthalene-2-carboxylic acid|EINECS 250-674-7|UNII-1U77MR5Q7O https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037730
ERPathway2016 ERPathway2016_109 1,4-Dihydroxy-2-naphthoic acid 31519-22-9 DTXSID0037730 ER Pathway Model, Agonist ACC 7.01101588059471 uM OC(=O)C1=C(O)C2=CC=CC=C2C(O)=C1 1,4-Dihydroxy-2-naphthoic acid 31519-22-9|1,4-Dihydroxy-2-naphthoic acid|1,4-Dihydroxy-2-naphthalenecarboxylic acid|1,4-dihydroxynaphthalene-2-carboxylic acid|EINECS 250-674-7|UNII-1U77MR5Q7O https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037730
ERPathway2016 ERPathway2016_109 1,4-Dihydroxy-2-naphthoic acid 31519-22-9 DTXSID0037730 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=C(O)C2=CC=CC=C2C(O)=C1 1,4-Dihydroxy-2-naphthoic acid 31519-22-9|1,4-Dihydroxy-2-naphthoic acid|1,4-Dihydroxy-2-naphthalenecarboxylic acid|1,4-dihydroxynaphthalene-2-carboxylic acid|EINECS 250-674-7|UNII-1U77MR5Q7O https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037730
ERPathway2016 ERPathway2016_109 1,4-Dihydroxy-2-naphthoic acid 31519-22-9 DTXSID0037730 ER Pathway Model, Antagonist Model Score 0.0324 Unitless OC(=O)C1=C(O)C2=CC=CC=C2C(O)=C1 1,4-Dihydroxy-2-naphthoic acid 31519-22-9|1,4-Dihydroxy-2-naphthoic acid|1,4-Dihydroxy-2-naphthalenecarboxylic acid|1,4-dihydroxynaphthalene-2-carboxylic acid|EINECS 250-674-7|UNII-1U77MR5Q7O https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037730
ERPathway2016 ERPathway2016_109 1,4-Dihydroxy-2-naphthoic acid 31519-22-9 DTXSID0037730 ER Pathway Model, Agonist Call Active Unitless OC(=O)C1=C(O)C2=CC=CC=C2C(O)=C1 1,4-Dihydroxy-2-naphthoic acid 31519-22-9|1,4-Dihydroxy-2-naphthoic acid|1,4-Dihydroxy-2-naphthalenecarboxylic acid|1,4-dihydroxynaphthalene-2-carboxylic acid|EINECS 250-674-7|UNII-1U77MR5Q7O https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037730
ERPathway2016 ERPathway2016_109 1,4-Dihydroxy-2-naphthoic acid 31519-22-9 DTXSID0037730 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=C(O)C2=CC=CC=C2C(O)=C1 1,4-Dihydroxy-2-naphthoic acid 31519-22-9|1,4-Dihydroxy-2-naphthoic acid|1,4-Dihydroxy-2-naphthalenecarboxylic acid|1,4-dihydroxynaphthalene-2-carboxylic acid|EINECS 250-674-7|UNII-1U77MR5Q7O https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037730
ARPathway2016 ARPathway2016_1342 1,4-Dimethylnaphthalene 571-58-4 DTXSID8035423 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C)C2=C1C=CC=C2 1,4-Dimethylnaphthalene 571-58-4|1,4-Dimethylnaphthalene|1,4-DMN|209-335-9|EC No.: 209-335-9|EINECS 209-335-9|Naphthalene, 1,4-dimethyl-|NSC 61779|P.C. Code 055802|PC Code 055802 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035423
ARPathway2016 ARPathway2016_1342 1,4-Dimethylnaphthalene 571-58-4 DTXSID8035423 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C)C2=C1C=CC=C2 1,4-Dimethylnaphthalene 571-58-4|1,4-Dimethylnaphthalene|1,4-DMN|209-335-9|EC No.: 209-335-9|EINECS 209-335-9|Naphthalene, 1,4-dimethyl-|NSC 61779|P.C. Code 055802|PC Code 055802 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035423
ARPathway2016 ARPathway2016_1342 1,4-Dimethylnaphthalene 571-58-4 DTXSID8035423 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C)C2=C1C=CC=C2 1,4-Dimethylnaphthalene 571-58-4|1,4-Dimethylnaphthalene|1,4-DMN|209-335-9|EC No.: 209-335-9|EINECS 209-335-9|Naphthalene, 1,4-dimethyl-|NSC 61779|P.C. Code 055802|PC Code 055802 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035423
ARPathway2016 ARPathway2016_1342 1,4-Dimethylnaphthalene 571-58-4 DTXSID8035423 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C)C2=C1C=CC=C2 1,4-Dimethylnaphthalene 571-58-4|1,4-Dimethylnaphthalene|1,4-DMN|209-335-9|EC No.: 209-335-9|EINECS 209-335-9|Naphthalene, 1,4-dimethyl-|NSC 61779|P.C. Code 055802|PC Code 055802 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035423
ERPathway2016 ERPathway2016_803 1,4-Dimethylnaphthalene 571-58-4 DTXSID8035423 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C)C2=C1C=CC=C2 1,4-Dimethylnaphthalene 571-58-4|1,4-Dimethylnaphthalene|1,4-DMN|209-335-9|EC No.: 209-335-9|EINECS 209-335-9|Naphthalene, 1,4-dimethyl-|NSC 61779|P.C. Code 055802|PC Code 055802 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035423
ERPathway2016 ERPathway2016_803 1,4-Dimethylnaphthalene 571-58-4 DTXSID8035423 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C)C2=C1C=CC=C2 1,4-Dimethylnaphthalene 571-58-4|1,4-Dimethylnaphthalene|1,4-DMN|209-335-9|EC No.: 209-335-9|EINECS 209-335-9|Naphthalene, 1,4-dimethyl-|NSC 61779|P.C. Code 055802|PC Code 055802 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035423
ERPathway2016 ERPathway2016_803 1,4-Dimethylnaphthalene 571-58-4 DTXSID8035423 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C)C2=C1C=CC=C2 1,4-Dimethylnaphthalene 571-58-4|1,4-Dimethylnaphthalene|1,4-DMN|209-335-9|EC No.: 209-335-9|EINECS 209-335-9|Naphthalene, 1,4-dimethyl-|NSC 61779|P.C. Code 055802|PC Code 055802 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035423
ERPathway2016 ERPathway2016_803 1,4-Dimethylnaphthalene 571-58-4 DTXSID8035423 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C)C2=C1C=CC=C2 1,4-Dimethylnaphthalene 571-58-4|1,4-Dimethylnaphthalene|1,4-DMN|209-335-9|EC No.: 209-335-9|EINECS 209-335-9|Naphthalene, 1,4-dimethyl-|NSC 61779|P.C. Code 055802|PC Code 055802 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035423
ARPathway2016 ARPathway2016_1235 1,5,9-Cyclododecatriene 4904-61-4 DTXSID8027581 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1CC=CCCC=CCCC=C1 1,5,9-Cyclododecatriene 4904-61-4|1,5,9-Cyclododecatriene|1,5,9-Cyclooctadecatriene|225-533-8|CDT (VAN)|EC No.: 225-533-8|EINECS 225-533-8|NSC 72433|13338-87-9|2095354-65-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027581
ARPathway2016 ARPathway2016_1235 1,5,9-Cyclododecatriene 4904-61-4 DTXSID8027581 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1CC=CCCC=CCCC=C1 1,5,9-Cyclododecatriene 4904-61-4|1,5,9-Cyclododecatriene|1,5,9-Cyclooctadecatriene|225-533-8|CDT (VAN)|EC No.: 225-533-8|EINECS 225-533-8|NSC 72433|13338-87-9|2095354-65-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027581
ARPathway2016 ARPathway2016_1235 1,5,9-Cyclododecatriene 4904-61-4 DTXSID8027581 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1CC=CCCC=CCCC=C1 1,5,9-Cyclododecatriene 4904-61-4|1,5,9-Cyclododecatriene|1,5,9-Cyclooctadecatriene|225-533-8|CDT (VAN)|EC No.: 225-533-8|EINECS 225-533-8|NSC 72433|13338-87-9|2095354-65-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027581
ARPathway2016 ARPathway2016_1235 1,5,9-Cyclododecatriene 4904-61-4 DTXSID8027581 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1CC=CCCC=CCCC=C1 1,5,9-Cyclododecatriene 4904-61-4|1,5,9-Cyclododecatriene|1,5,9-Cyclooctadecatriene|225-533-8|CDT (VAN)|EC No.: 225-533-8|EINECS 225-533-8|NSC 72433|13338-87-9|2095354-65-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027581
ERPathway2016 ERPathway2016_952 1,5,9-Cyclododecatriene 4904-61-4 DTXSID8027581 ER Pathway Model, Agonist Model Score 0 Unitless C1CC=CCCC=CCCC=C1 1,5,9-Cyclododecatriene 4904-61-4|1,5,9-Cyclododecatriene|1,5,9-Cyclooctadecatriene|225-533-8|CDT (VAN)|EC No.: 225-533-8|EINECS 225-533-8|NSC 72433|13338-87-9|2095354-65-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027581
ERPathway2016 ERPathway2016_952 1,5,9-Cyclododecatriene 4904-61-4 DTXSID8027581 ER Pathway Model, Antagonist Model Score 0 Unitless C1CC=CCCC=CCCC=C1 1,5,9-Cyclododecatriene 4904-61-4|1,5,9-Cyclododecatriene|1,5,9-Cyclooctadecatriene|225-533-8|CDT (VAN)|EC No.: 225-533-8|EINECS 225-533-8|NSC 72433|13338-87-9|2095354-65-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027581
ERPathway2016 ERPathway2016_952 1,5,9-Cyclododecatriene 4904-61-4 DTXSID8027581 ER Pathway Model, Agonist Call Inactive Unitless C1CC=CCCC=CCCC=C1 1,5,9-Cyclododecatriene 4904-61-4|1,5,9-Cyclododecatriene|1,5,9-Cyclooctadecatriene|225-533-8|CDT (VAN)|EC No.: 225-533-8|EINECS 225-533-8|NSC 72433|13338-87-9|2095354-65-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027581
ERPathway2016 ERPathway2016_952 1,5,9-Cyclododecatriene 4904-61-4 DTXSID8027581 ER Pathway Model, Antagonist Call Inactive Unitless C1CC=CCCC=CCCC=C1 1,5,9-Cyclododecatriene 4904-61-4|1,5,9-Cyclododecatriene|1,5,9-Cyclooctadecatriene|225-533-8|CDT (VAN)|EC No.: 225-533-8|EINECS 225-533-8|NSC 72433|13338-87-9|2095354-65-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027581
ARPathway2016 ARPathway2016_1011 1,5-Naphthalenediamine 2243-62-1 DTXSID3020916 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=CC2=C(N)C=CC=C12 1,5-Naphthalenediamine 2243-62-1|1,5-Naphthalenediamine|1,5-diaminonaphthalene|1,5-Naphthylenediamine|1,5-Napthalenediamine|4-13-00-00340|BRN 0907947|EINECS 218-817-8|naphthalene-1,5-diamine|NCI-C03021|NSC 401110|UNII-13PD3J52LK https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020916 https://doi.org/10.22427/NTP-DATA-DTXSID3020916
ARPathway2016 ARPathway2016_1011 1,5-Naphthalenediamine 2243-62-1 DTXSID3020916 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=CC=CC2=C(N)C=CC=C12 1,5-Naphthalenediamine 2243-62-1|1,5-Naphthalenediamine|1,5-diaminonaphthalene|1,5-Naphthylenediamine|1,5-Napthalenediamine|4-13-00-00340|BRN 0907947|EINECS 218-817-8|naphthalene-1,5-diamine|NCI-C03021|NSC 401110|UNII-13PD3J52LK https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020916 https://doi.org/10.22427/NTP-DATA-DTXSID3020916
ARPathway2016 ARPathway2016_1011 1,5-Naphthalenediamine 2243-62-1 DTXSID3020916 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC=CC2=C(N)C=CC=C12 1,5-Naphthalenediamine 2243-62-1|1,5-Naphthalenediamine|1,5-diaminonaphthalene|1,5-Naphthylenediamine|1,5-Napthalenediamine|4-13-00-00340|BRN 0907947|EINECS 218-817-8|naphthalene-1,5-diamine|NCI-C03021|NSC 401110|UNII-13PD3J52LK https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020916 https://doi.org/10.22427/NTP-DATA-DTXSID3020916
ARPathway2016 ARPathway2016_1011 1,5-Naphthalenediamine 2243-62-1 DTXSID3020916 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC=CC2=C(N)C=CC=C12 1,5-Naphthalenediamine 2243-62-1|1,5-Naphthalenediamine|1,5-diaminonaphthalene|1,5-Naphthylenediamine|1,5-Napthalenediamine|4-13-00-00340|BRN 0907947|EINECS 218-817-8|naphthalene-1,5-diamine|NCI-C03021|NSC 401110|UNII-13PD3J52LK https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020916 https://doi.org/10.22427/NTP-DATA-DTXSID3020916
ERPathway2016 ERPathway2016_754 1,5-Naphthalenediamine 2243-62-1 DTXSID3020916 A5 ER Pathway Model, Agonist Model Score 0 Unitless NC1=CC=CC2=C(N)C=CC=C12 1,5-Naphthalenediamine 2243-62-1|1,5-Naphthalenediamine|1,5-diaminonaphthalene|1,5-Naphthylenediamine|1,5-Napthalenediamine|4-13-00-00340|BRN 0907947|EINECS 218-817-8|naphthalene-1,5-diamine|NCI-C03021|NSC 401110|UNII-13PD3J52LK https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020916 https://doi.org/10.22427/NTP-DATA-DTXSID3020916
ERPathway2016 ERPathway2016_754 1,5-Naphthalenediamine 2243-62-1 DTXSID3020916 A5 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=CC2=C(N)C=CC=C12 1,5-Naphthalenediamine 2243-62-1|1,5-Naphthalenediamine|1,5-diaminonaphthalene|1,5-Naphthylenediamine|1,5-Napthalenediamine|4-13-00-00340|BRN 0907947|EINECS 218-817-8|naphthalene-1,5-diamine|NCI-C03021|NSC 401110|UNII-13PD3J52LK https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020916 https://doi.org/10.22427/NTP-DATA-DTXSID3020916
ERPathway2016 ERPathway2016_754 1,5-Naphthalenediamine 2243-62-1 DTXSID3020916 A5 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC=CC2=C(N)C=CC=C12 1,5-Naphthalenediamine 2243-62-1|1,5-Naphthalenediamine|1,5-diaminonaphthalene|1,5-Naphthylenediamine|1,5-Napthalenediamine|4-13-00-00340|BRN 0907947|EINECS 218-817-8|naphthalene-1,5-diamine|NCI-C03021|NSC 401110|UNII-13PD3J52LK https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020916 https://doi.org/10.22427/NTP-DATA-DTXSID3020916
ERPathway2016 ERPathway2016_754 1,5-Naphthalenediamine 2243-62-1 DTXSID3020916 A5 ER Pathway Model, Antagonist Call Inactive Unitless NC1=CC=CC2=C(N)C=CC=C12 1,5-Naphthalenediamine 2243-62-1|1,5-Naphthalenediamine|1,5-diaminonaphthalene|1,5-Naphthylenediamine|1,5-Napthalenediamine|4-13-00-00340|BRN 0907947|EINECS 218-817-8|naphthalene-1,5-diamine|NCI-C03021|NSC 401110|UNII-13PD3J52LK https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020916 https://doi.org/10.22427/NTP-DATA-DTXSID3020916
ARPathway2016 ARPathway2016_1619 1,6-Diisocyanatohexane 822-06-0 DTXSID4024143 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C=NCCCCCCN=C=O 1,6-Diisocyanatohexane 822-06-0|1,6-Diisocyanatohexane|1,6-Diisocyanatohexamethylene|1,6-Hexamethylene diisocyanate|1,6-Hexanediol diisocyanate|1,6-Hexylene diisocyanate|BLOCKED HEXAMETHYL DIISOCYANATE|BRN 0956709|diisocianato de hexametileno|Diisocyanate d'hexamethylene|EINECS 212-485-8|HDI|Hexamethylendiisocyanat|Hexamethylendiisokyanat|hexamethylene diisocyanate|Hexamethylene-1,6-diisocyanate|Hexane 1,6-diisocyanate|HEXANE-1,6-DIISOCYANATE|Hexane, 1,6-diisocyanato-|Hexane, 1,6-diisocyanto-|HMDI|Isocyanic acid, diester with 1,6-hexanediol|Isocyanic acid, hexamethylene ester|Metyleno-bis-fenyloizocyjanian|MODIFIED HEXAMETHYL DIISOCYANATE|NSC 11687|Szesciometylenodwuizocyjanian|UN 2281|UNII-0I70A3I1UF|1196968-38-3|1199811-16-9|133394-59-9|141504-21-4|1447694-90-7|1674389-30-0|1714093-54-5|1799418-17-9|243121-01-9|280144-19-6|53192-27-1|57350-77-3|63525-90-6|66368-96-5|824958-44-3|88357-62-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024143
ARPathway2016 ARPathway2016_1619 1,6-Diisocyanatohexane 822-06-0 DTXSID4024143 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C=NCCCCCCN=C=O 1,6-Diisocyanatohexane 822-06-0|1,6-Diisocyanatohexane|1,6-Diisocyanatohexamethylene|1,6-Hexamethylene diisocyanate|1,6-Hexanediol diisocyanate|1,6-Hexylene diisocyanate|BLOCKED HEXAMETHYL DIISOCYANATE|BRN 0956709|diisocianato de hexametileno|Diisocyanate d'hexamethylene|EINECS 212-485-8|HDI|Hexamethylendiisocyanat|Hexamethylendiisokyanat|hexamethylene diisocyanate|Hexamethylene-1,6-diisocyanate|Hexane 1,6-diisocyanate|HEXANE-1,6-DIISOCYANATE|Hexane, 1,6-diisocyanato-|Hexane, 1,6-diisocyanto-|HMDI|Isocyanic acid, diester with 1,6-hexanediol|Isocyanic acid, hexamethylene ester|Metyleno-bis-fenyloizocyjanian|MODIFIED HEXAMETHYL DIISOCYANATE|NSC 11687|Szesciometylenodwuizocyjanian|UN 2281|UNII-0I70A3I1UF|1196968-38-3|1199811-16-9|133394-59-9|141504-21-4|1447694-90-7|1674389-30-0|1714093-54-5|1799418-17-9|243121-01-9|280144-19-6|53192-27-1|57350-77-3|63525-90-6|66368-96-5|824958-44-3|88357-62-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024143
ARPathway2016 ARPathway2016_1619 1,6-Diisocyanatohexane 822-06-0 DTXSID4024143 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C=NCCCCCCN=C=O 1,6-Diisocyanatohexane 822-06-0|1,6-Diisocyanatohexane|1,6-Diisocyanatohexamethylene|1,6-Hexamethylene diisocyanate|1,6-Hexanediol diisocyanate|1,6-Hexylene diisocyanate|BLOCKED HEXAMETHYL DIISOCYANATE|BRN 0956709|diisocianato de hexametileno|Diisocyanate d'hexamethylene|EINECS 212-485-8|HDI|Hexamethylendiisocyanat|Hexamethylendiisokyanat|hexamethylene diisocyanate|Hexamethylene-1,6-diisocyanate|Hexane 1,6-diisocyanate|HEXANE-1,6-DIISOCYANATE|Hexane, 1,6-diisocyanato-|Hexane, 1,6-diisocyanto-|HMDI|Isocyanic acid, diester with 1,6-hexanediol|Isocyanic acid, hexamethylene ester|Metyleno-bis-fenyloizocyjanian|MODIFIED HEXAMETHYL DIISOCYANATE|NSC 11687|Szesciometylenodwuizocyjanian|UN 2281|UNII-0I70A3I1UF|1196968-38-3|1199811-16-9|133394-59-9|141504-21-4|1447694-90-7|1674389-30-0|1714093-54-5|1799418-17-9|243121-01-9|280144-19-6|53192-27-1|57350-77-3|63525-90-6|66368-96-5|824958-44-3|88357-62-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024143
ARPathway2016 ARPathway2016_1619 1,6-Diisocyanatohexane 822-06-0 DTXSID4024143 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C=NCCCCCCN=C=O 1,6-Diisocyanatohexane 822-06-0|1,6-Diisocyanatohexane|1,6-Diisocyanatohexamethylene|1,6-Hexamethylene diisocyanate|1,6-Hexanediol diisocyanate|1,6-Hexylene diisocyanate|BLOCKED HEXAMETHYL DIISOCYANATE|BRN 0956709|diisocianato de hexametileno|Diisocyanate d'hexamethylene|EINECS 212-485-8|HDI|Hexamethylendiisocyanat|Hexamethylendiisokyanat|hexamethylene diisocyanate|Hexamethylene-1,6-diisocyanate|Hexane 1,6-diisocyanate|HEXANE-1,6-DIISOCYANATE|Hexane, 1,6-diisocyanato-|Hexane, 1,6-diisocyanto-|HMDI|Isocyanic acid, diester with 1,6-hexanediol|Isocyanic acid, hexamethylene ester|Metyleno-bis-fenyloizocyjanian|MODIFIED HEXAMETHYL DIISOCYANATE|NSC 11687|Szesciometylenodwuizocyjanian|UN 2281|UNII-0I70A3I1UF|1196968-38-3|1199811-16-9|133394-59-9|141504-21-4|1447694-90-7|1674389-30-0|1714093-54-5|1799418-17-9|243121-01-9|280144-19-6|53192-27-1|57350-77-3|63525-90-6|66368-96-5|824958-44-3|88357-62-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024143
ERPathway2016 ERPathway2016_1690 1,6-Diisocyanatohexane 822-06-0 DTXSID4024143 ER Pathway Model, Agonist Model Score 0 Unitless O=C=NCCCCCCN=C=O 1,6-Diisocyanatohexane 822-06-0|1,6-Diisocyanatohexane|1,6-Diisocyanatohexamethylene|1,6-Hexamethylene diisocyanate|1,6-Hexanediol diisocyanate|1,6-Hexylene diisocyanate|BLOCKED HEXAMETHYL DIISOCYANATE|BRN 0956709|diisocianato de hexametileno|Diisocyanate d'hexamethylene|EINECS 212-485-8|HDI|Hexamethylendiisocyanat|Hexamethylendiisokyanat|hexamethylene diisocyanate|Hexamethylene-1,6-diisocyanate|Hexane 1,6-diisocyanate|HEXANE-1,6-DIISOCYANATE|Hexane, 1,6-diisocyanato-|Hexane, 1,6-diisocyanto-|HMDI|Isocyanic acid, diester with 1,6-hexanediol|Isocyanic acid, hexamethylene ester|Metyleno-bis-fenyloizocyjanian|MODIFIED HEXAMETHYL DIISOCYANATE|NSC 11687|Szesciometylenodwuizocyjanian|UN 2281|UNII-0I70A3I1UF|1196968-38-3|1199811-16-9|133394-59-9|141504-21-4|1447694-90-7|1674389-30-0|1714093-54-5|1799418-17-9|243121-01-9|280144-19-6|53192-27-1|57350-77-3|63525-90-6|66368-96-5|824958-44-3|88357-62-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024143
ERPathway2016 ERPathway2016_1690 1,6-Diisocyanatohexane 822-06-0 DTXSID4024143 ER Pathway Model, Antagonist Model Score 0 Unitless O=C=NCCCCCCN=C=O 1,6-Diisocyanatohexane 822-06-0|1,6-Diisocyanatohexane|1,6-Diisocyanatohexamethylene|1,6-Hexamethylene diisocyanate|1,6-Hexanediol diisocyanate|1,6-Hexylene diisocyanate|BLOCKED HEXAMETHYL DIISOCYANATE|BRN 0956709|diisocianato de hexametileno|Diisocyanate d'hexamethylene|EINECS 212-485-8|HDI|Hexamethylendiisocyanat|Hexamethylendiisokyanat|hexamethylene diisocyanate|Hexamethylene-1,6-diisocyanate|Hexane 1,6-diisocyanate|HEXANE-1,6-DIISOCYANATE|Hexane, 1,6-diisocyanato-|Hexane, 1,6-diisocyanto-|HMDI|Isocyanic acid, diester with 1,6-hexanediol|Isocyanic acid, hexamethylene ester|Metyleno-bis-fenyloizocyjanian|MODIFIED HEXAMETHYL DIISOCYANATE|NSC 11687|Szesciometylenodwuizocyjanian|UN 2281|UNII-0I70A3I1UF|1196968-38-3|1199811-16-9|133394-59-9|141504-21-4|1447694-90-7|1674389-30-0|1714093-54-5|1799418-17-9|243121-01-9|280144-19-6|53192-27-1|57350-77-3|63525-90-6|66368-96-5|824958-44-3|88357-62-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024143
ERPathway2016 ERPathway2016_1690 1,6-Diisocyanatohexane 822-06-0 DTXSID4024143 ER Pathway Model, Agonist Call Inactive Unitless O=C=NCCCCCCN=C=O 1,6-Diisocyanatohexane 822-06-0|1,6-Diisocyanatohexane|1,6-Diisocyanatohexamethylene|1,6-Hexamethylene diisocyanate|1,6-Hexanediol diisocyanate|1,6-Hexylene diisocyanate|BLOCKED HEXAMETHYL DIISOCYANATE|BRN 0956709|diisocianato de hexametileno|Diisocyanate d'hexamethylene|EINECS 212-485-8|HDI|Hexamethylendiisocyanat|Hexamethylendiisokyanat|hexamethylene diisocyanate|Hexamethylene-1,6-diisocyanate|Hexane 1,6-diisocyanate|HEXANE-1,6-DIISOCYANATE|Hexane, 1,6-diisocyanato-|Hexane, 1,6-diisocyanto-|HMDI|Isocyanic acid, diester with 1,6-hexanediol|Isocyanic acid, hexamethylene ester|Metyleno-bis-fenyloizocyjanian|MODIFIED HEXAMETHYL DIISOCYANATE|NSC 11687|Szesciometylenodwuizocyjanian|UN 2281|UNII-0I70A3I1UF|1196968-38-3|1199811-16-9|133394-59-9|141504-21-4|1447694-90-7|1674389-30-0|1714093-54-5|1799418-17-9|243121-01-9|280144-19-6|53192-27-1|57350-77-3|63525-90-6|66368-96-5|824958-44-3|88357-62-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024143
ERPathway2016 ERPathway2016_1690 1,6-Diisocyanatohexane 822-06-0 DTXSID4024143 ER Pathway Model, Antagonist Call Inactive Unitless O=C=NCCCCCCN=C=O 1,6-Diisocyanatohexane 822-06-0|1,6-Diisocyanatohexane|1,6-Diisocyanatohexamethylene|1,6-Hexamethylene diisocyanate|1,6-Hexanediol diisocyanate|1,6-Hexylene diisocyanate|BLOCKED HEXAMETHYL DIISOCYANATE|BRN 0956709|diisocianato de hexametileno|Diisocyanate d'hexamethylene|EINECS 212-485-8|HDI|Hexamethylendiisocyanat|Hexamethylendiisokyanat|hexamethylene diisocyanate|Hexamethylene-1,6-diisocyanate|Hexane 1,6-diisocyanate|HEXANE-1,6-DIISOCYANATE|Hexane, 1,6-diisocyanato-|Hexane, 1,6-diisocyanto-|HMDI|Isocyanic acid, diester with 1,6-hexanediol|Isocyanic acid, hexamethylene ester|Metyleno-bis-fenyloizocyjanian|MODIFIED HEXAMETHYL DIISOCYANATE|NSC 11687|Szesciometylenodwuizocyjanian|UN 2281|UNII-0I70A3I1UF|1196968-38-3|1199811-16-9|133394-59-9|141504-21-4|1447694-90-7|1674389-30-0|1714093-54-5|1799418-17-9|243121-01-9|280144-19-6|53192-27-1|57350-77-3|63525-90-6|66368-96-5|824958-44-3|88357-62-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024143
ARPathway2016 ARPathway2016_730 1,6-Hexanediamine 124-09-4 DTXSID5024922 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NCCCCCCN 1,6-Hexanediamine 124-09-4|1,6-Hexanediamine|1,6-Diamino-n-hexane|1,6-Diaminohexane|1,6-hexamethylenediamine|1,6-Hexylenediamine|4-04-00-01320|Advancure|BRN 1098307|diaminohexane|EINECS 204-679-6|H2N(CH2)6NH2|HEX-NH2|Hexamethylendiamin|HEXAMETHYLENE DIAMINE|Hexamethylenediamine|hexametilendiamina|HEXANE-1,6-DIAMINE|Hexane, 1,6-diamino-|Hexylenediamine|Hi Perm|HMDA|NCI-C61405|NSC 9257|UN 1783|UN 2280|UNII-ZRA5J5B2QW|a,o-Hexanediamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024922 https://doi.org/10.22427/NTP-DATA-DTXSID5024922
ARPathway2016 ARPathway2016_730 1,6-Hexanediamine 124-09-4 DTXSID5024922 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NCCCCCCN 1,6-Hexanediamine 124-09-4|1,6-Hexanediamine|1,6-Diamino-n-hexane|1,6-Diaminohexane|1,6-hexamethylenediamine|1,6-Hexylenediamine|4-04-00-01320|Advancure|BRN 1098307|diaminohexane|EINECS 204-679-6|H2N(CH2)6NH2|HEX-NH2|Hexamethylendiamin|HEXAMETHYLENE DIAMINE|Hexamethylenediamine|hexametilendiamina|HEXANE-1,6-DIAMINE|Hexane, 1,6-diamino-|Hexylenediamine|Hi Perm|HMDA|NCI-C61405|NSC 9257|UN 1783|UN 2280|UNII-ZRA5J5B2QW|a,o-Hexanediamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024922 https://doi.org/10.22427/NTP-DATA-DTXSID5024922
ARPathway2016 ARPathway2016_730 1,6-Hexanediamine 124-09-4 DTXSID5024922 0.0 AR Pathway Model, Agonist Call Inactive Unitless NCCCCCCN 1,6-Hexanediamine 124-09-4|1,6-Hexanediamine|1,6-Diamino-n-hexane|1,6-Diaminohexane|1,6-hexamethylenediamine|1,6-Hexylenediamine|4-04-00-01320|Advancure|BRN 1098307|diaminohexane|EINECS 204-679-6|H2N(CH2)6NH2|HEX-NH2|Hexamethylendiamin|HEXAMETHYLENE DIAMINE|Hexamethylenediamine|hexametilendiamina|HEXANE-1,6-DIAMINE|Hexane, 1,6-diamino-|Hexylenediamine|Hi Perm|HMDA|NCI-C61405|NSC 9257|UN 1783|UN 2280|UNII-ZRA5J5B2QW|a,o-Hexanediamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024922 https://doi.org/10.22427/NTP-DATA-DTXSID5024922
ARPathway2016 ARPathway2016_730 1,6-Hexanediamine 124-09-4 DTXSID5024922 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NCCCCCCN 1,6-Hexanediamine 124-09-4|1,6-Hexanediamine|1,6-Diamino-n-hexane|1,6-Diaminohexane|1,6-hexamethylenediamine|1,6-Hexylenediamine|4-04-00-01320|Advancure|BRN 1098307|diaminohexane|EINECS 204-679-6|H2N(CH2)6NH2|HEX-NH2|Hexamethylendiamin|HEXAMETHYLENE DIAMINE|Hexamethylenediamine|hexametilendiamina|HEXANE-1,6-DIAMINE|Hexane, 1,6-diamino-|Hexylenediamine|Hi Perm|HMDA|NCI-C61405|NSC 9257|UN 1783|UN 2280|UNII-ZRA5J5B2QW|a,o-Hexanediamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024922 https://doi.org/10.22427/NTP-DATA-DTXSID5024922
ERPathway2016 ERPathway2016_1242 1,6-Hexanediamine 124-09-4 DTXSID5024922 ER Pathway Model, Agonist Model Score 0 Unitless NCCCCCCN 1,6-Hexanediamine 124-09-4|1,6-Hexanediamine|1,6-Diamino-n-hexane|1,6-Diaminohexane|1,6-hexamethylenediamine|1,6-Hexylenediamine|4-04-00-01320|Advancure|BRN 1098307|diaminohexane|EINECS 204-679-6|H2N(CH2)6NH2|HEX-NH2|Hexamethylendiamin|HEXAMETHYLENE DIAMINE|Hexamethylenediamine|hexametilendiamina|HEXANE-1,6-DIAMINE|Hexane, 1,6-diamino-|Hexylenediamine|Hi Perm|HMDA|NCI-C61405|NSC 9257|UN 1783|UN 2280|UNII-ZRA5J5B2QW|a,o-Hexanediamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024922 https://doi.org/10.22427/NTP-DATA-DTXSID5024922
ERPathway2016 ERPathway2016_1242 1,6-Hexanediamine 124-09-4 DTXSID5024922 ER Pathway Model, Antagonist Model Score 0 Unitless NCCCCCCN 1,6-Hexanediamine 124-09-4|1,6-Hexanediamine|1,6-Diamino-n-hexane|1,6-Diaminohexane|1,6-hexamethylenediamine|1,6-Hexylenediamine|4-04-00-01320|Advancure|BRN 1098307|diaminohexane|EINECS 204-679-6|H2N(CH2)6NH2|HEX-NH2|Hexamethylendiamin|HEXAMETHYLENE DIAMINE|Hexamethylenediamine|hexametilendiamina|HEXANE-1,6-DIAMINE|Hexane, 1,6-diamino-|Hexylenediamine|Hi Perm|HMDA|NCI-C61405|NSC 9257|UN 1783|UN 2280|UNII-ZRA5J5B2QW|a,o-Hexanediamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024922 https://doi.org/10.22427/NTP-DATA-DTXSID5024922
ERPathway2016 ERPathway2016_1242 1,6-Hexanediamine 124-09-4 DTXSID5024922 ER Pathway Model, Agonist Call Inactive Unitless NCCCCCCN 1,6-Hexanediamine 124-09-4|1,6-Hexanediamine|1,6-Diamino-n-hexane|1,6-Diaminohexane|1,6-hexamethylenediamine|1,6-Hexylenediamine|4-04-00-01320|Advancure|BRN 1098307|diaminohexane|EINECS 204-679-6|H2N(CH2)6NH2|HEX-NH2|Hexamethylendiamin|HEXAMETHYLENE DIAMINE|Hexamethylenediamine|hexametilendiamina|HEXANE-1,6-DIAMINE|Hexane, 1,6-diamino-|Hexylenediamine|Hi Perm|HMDA|NCI-C61405|NSC 9257|UN 1783|UN 2280|UNII-ZRA5J5B2QW|a,o-Hexanediamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024922 https://doi.org/10.22427/NTP-DATA-DTXSID5024922
ERPathway2016 ERPathway2016_1242 1,6-Hexanediamine 124-09-4 DTXSID5024922 ER Pathway Model, Antagonist Call Inactive Unitless NCCCCCCN 1,6-Hexanediamine 124-09-4|1,6-Hexanediamine|1,6-Diamino-n-hexane|1,6-Diaminohexane|1,6-hexamethylenediamine|1,6-Hexylenediamine|4-04-00-01320|Advancure|BRN 1098307|diaminohexane|EINECS 204-679-6|H2N(CH2)6NH2|HEX-NH2|Hexamethylendiamin|HEXAMETHYLENE DIAMINE|Hexamethylenediamine|hexametilendiamina|HEXANE-1,6-DIAMINE|Hexane, 1,6-diamino-|Hexylenediamine|Hi Perm|HMDA|NCI-C61405|NSC 9257|UN 1783|UN 2280|UNII-ZRA5J5B2QW|a,o-Hexanediamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024922 https://doi.org/10.22427/NTP-DATA-DTXSID5024922
ARPathway2016 ARPathway2016_1224 1,8-Cineol 470-82-6 DTXSID4020616 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC12CCC(CC1)C(C)(C)O2 1,8-Cineol 470-82-6|1,8-Cineol|1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane|1,8-CINEOLE|1,8-Epoxy-p-menthane|1,8-Epoxyparamenthane|1,8-Oxido-p-menthane|2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane|2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane|2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-|BICYCLO[2.2.2]OCTANE, 1,3,3-TRIMETHYL-2-OXA-|Cajeputol|Cineole|EINECS 207-431-5|Eucalyptol|EUCALYPTOL, CINEOL|Eucalyptole|Eucapur|Eukalyptol|FEMA No. 2465|NCI-C56575|NSC 6171|p-Cineole|p-Menthane, 1,8-epoxy-|Soledum|UNII-RV6J6604TK|10458-11-4|8024-52-0|8024-53-1|855347-23-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020616 https://doi.org/10.22427/NTP-DATA-DTXSID4020616
ARPathway2016 ARPathway2016_1224 1,8-Cineol 470-82-6 DTXSID4020616 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC12CCC(CC1)C(C)(C)O2 1,8-Cineol 470-82-6|1,8-Cineol|1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane|1,8-CINEOLE|1,8-Epoxy-p-menthane|1,8-Epoxyparamenthane|1,8-Oxido-p-menthane|2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane|2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane|2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-|BICYCLO[2.2.2]OCTANE, 1,3,3-TRIMETHYL-2-OXA-|Cajeputol|Cineole|EINECS 207-431-5|Eucalyptol|EUCALYPTOL, CINEOL|Eucalyptole|Eucapur|Eukalyptol|FEMA No. 2465|NCI-C56575|NSC 6171|p-Cineole|p-Menthane, 1,8-epoxy-|Soledum|UNII-RV6J6604TK|10458-11-4|8024-52-0|8024-53-1|855347-23-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020616 https://doi.org/10.22427/NTP-DATA-DTXSID4020616
ARPathway2016 ARPathway2016_1224 1,8-Cineol 470-82-6 DTXSID4020616 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC12CCC(CC1)C(C)(C)O2 1,8-Cineol 470-82-6|1,8-Cineol|1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane|1,8-CINEOLE|1,8-Epoxy-p-menthane|1,8-Epoxyparamenthane|1,8-Oxido-p-menthane|2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane|2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane|2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-|BICYCLO[2.2.2]OCTANE, 1,3,3-TRIMETHYL-2-OXA-|Cajeputol|Cineole|EINECS 207-431-5|Eucalyptol|EUCALYPTOL, CINEOL|Eucalyptole|Eucapur|Eukalyptol|FEMA No. 2465|NCI-C56575|NSC 6171|p-Cineole|p-Menthane, 1,8-epoxy-|Soledum|UNII-RV6J6604TK|10458-11-4|8024-52-0|8024-53-1|855347-23-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020616 https://doi.org/10.22427/NTP-DATA-DTXSID4020616
ARPathway2016 ARPathway2016_1224 1,8-Cineol 470-82-6 DTXSID4020616 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC12CCC(CC1)C(C)(C)O2 1,8-Cineol 470-82-6|1,8-Cineol|1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane|1,8-CINEOLE|1,8-Epoxy-p-menthane|1,8-Epoxyparamenthane|1,8-Oxido-p-menthane|2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane|2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane|2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-|BICYCLO[2.2.2]OCTANE, 1,3,3-TRIMETHYL-2-OXA-|Cajeputol|Cineole|EINECS 207-431-5|Eucalyptol|EUCALYPTOL, CINEOL|Eucalyptole|Eucapur|Eukalyptol|FEMA No. 2465|NCI-C56575|NSC 6171|p-Cineole|p-Menthane, 1,8-epoxy-|Soledum|UNII-RV6J6604TK|10458-11-4|8024-52-0|8024-53-1|855347-23-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020616 https://doi.org/10.22427/NTP-DATA-DTXSID4020616
ERPathway2016 ERPathway2016_1490 1,8-Cineol 470-82-6 DTXSID4020616 ER Pathway Model, Agonist Model Score 0 Unitless CC12CCC(CC1)C(C)(C)O2 1,8-Cineol 470-82-6|1,8-Cineol|1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane|1,8-CINEOLE|1,8-Epoxy-p-menthane|1,8-Epoxyparamenthane|1,8-Oxido-p-menthane|2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane|2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane|2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-|BICYCLO[2.2.2]OCTANE, 1,3,3-TRIMETHYL-2-OXA-|Cajeputol|Cineole|EINECS 207-431-5|Eucalyptol|EUCALYPTOL, CINEOL|Eucalyptole|Eucapur|Eukalyptol|FEMA No. 2465|NCI-C56575|NSC 6171|p-Cineole|p-Menthane, 1,8-epoxy-|Soledum|UNII-RV6J6604TK|10458-11-4|8024-52-0|8024-53-1|855347-23-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020616 https://doi.org/10.22427/NTP-DATA-DTXSID4020616
ERPathway2016 ERPathway2016_1490 1,8-Cineol 470-82-6 DTXSID4020616 ER Pathway Model, Antagonist Model Score 0 Unitless CC12CCC(CC1)C(C)(C)O2 1,8-Cineol 470-82-6|1,8-Cineol|1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane|1,8-CINEOLE|1,8-Epoxy-p-menthane|1,8-Epoxyparamenthane|1,8-Oxido-p-menthane|2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane|2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane|2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-|BICYCLO[2.2.2]OCTANE, 1,3,3-TRIMETHYL-2-OXA-|Cajeputol|Cineole|EINECS 207-431-5|Eucalyptol|EUCALYPTOL, CINEOL|Eucalyptole|Eucapur|Eukalyptol|FEMA No. 2465|NCI-C56575|NSC 6171|p-Cineole|p-Menthane, 1,8-epoxy-|Soledum|UNII-RV6J6604TK|10458-11-4|8024-52-0|8024-53-1|855347-23-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020616 https://doi.org/10.22427/NTP-DATA-DTXSID4020616
ERPathway2016 ERPathway2016_1490 1,8-Cineol 470-82-6 DTXSID4020616 ER Pathway Model, Agonist Call Inactive Unitless CC12CCC(CC1)C(C)(C)O2 1,8-Cineol 470-82-6|1,8-Cineol|1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane|1,8-CINEOLE|1,8-Epoxy-p-menthane|1,8-Epoxyparamenthane|1,8-Oxido-p-menthane|2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane|2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane|2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-|BICYCLO[2.2.2]OCTANE, 1,3,3-TRIMETHYL-2-OXA-|Cajeputol|Cineole|EINECS 207-431-5|Eucalyptol|EUCALYPTOL, CINEOL|Eucalyptole|Eucapur|Eukalyptol|FEMA No. 2465|NCI-C56575|NSC 6171|p-Cineole|p-Menthane, 1,8-epoxy-|Soledum|UNII-RV6J6604TK|10458-11-4|8024-52-0|8024-53-1|855347-23-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020616 https://doi.org/10.22427/NTP-DATA-DTXSID4020616
ERPathway2016 ERPathway2016_1490 1,8-Cineol 470-82-6 DTXSID4020616 ER Pathway Model, Antagonist Call Inactive Unitless CC12CCC(CC1)C(C)(C)O2 1,8-Cineol 470-82-6|1,8-Cineol|1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane|1,8-CINEOLE|1,8-Epoxy-p-menthane|1,8-Epoxyparamenthane|1,8-Oxido-p-menthane|2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane|2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane|2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-|BICYCLO[2.2.2]OCTANE, 1,3,3-TRIMETHYL-2-OXA-|Cajeputol|Cineole|EINECS 207-431-5|Eucalyptol|EUCALYPTOL, CINEOL|Eucalyptole|Eucapur|Eukalyptol|FEMA No. 2465|NCI-C56575|NSC 6171|p-Cineole|p-Menthane, 1,8-epoxy-|Soledum|UNII-RV6J6604TK|10458-11-4|8024-52-0|8024-53-1|855347-23-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020616 https://doi.org/10.22427/NTP-DATA-DTXSID4020616
ARPathway2016 ARPathway2016_1024 1-[3-(Triethoxysilyl)propyl]urea 23779-32-0 DTXSID5044493 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCO[Si](CCCNC(N)=O)(OCC)OCC 1-[3-(Triethoxysilyl)propyl]urea 23779-32-0|1-[3-(Triethoxysilyl)propyl]urea|-Ureidopropyltriethoxysilane|EINECS 245-876-7|N-(Triethoxysilylpropyl)urea|Urea, [3-(triethoxysilyl)propyl]-|872006-13-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044493
ARPathway2016 ARPathway2016_1024 1-[3-(Triethoxysilyl)propyl]urea 23779-32-0 DTXSID5044493 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCO[Si](CCCNC(N)=O)(OCC)OCC 1-[3-(Triethoxysilyl)propyl]urea 23779-32-0|1-[3-(Triethoxysilyl)propyl]urea|-Ureidopropyltriethoxysilane|EINECS 245-876-7|N-(Triethoxysilylpropyl)urea|Urea, [3-(triethoxysilyl)propyl]-|872006-13-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044493
ARPathway2016 ARPathway2016_1024 1-[3-(Triethoxysilyl)propyl]urea 23779-32-0 DTXSID5044493 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCO[Si](CCCNC(N)=O)(OCC)OCC 1-[3-(Triethoxysilyl)propyl]urea 23779-32-0|1-[3-(Triethoxysilyl)propyl]urea|-Ureidopropyltriethoxysilane|EINECS 245-876-7|N-(Triethoxysilylpropyl)urea|Urea, [3-(triethoxysilyl)propyl]-|872006-13-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044493
ARPathway2016 ARPathway2016_1024 1-[3-(Triethoxysilyl)propyl]urea 23779-32-0 DTXSID5044493 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCO[Si](CCCNC(N)=O)(OCC)OCC 1-[3-(Triethoxysilyl)propyl]urea 23779-32-0|1-[3-(Triethoxysilyl)propyl]urea|-Ureidopropyltriethoxysilane|EINECS 245-876-7|N-(Triethoxysilylpropyl)urea|Urea, [3-(triethoxysilyl)propyl]-|872006-13-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044493
ERPathway2016 ERPathway2016_1388 1-[3-(Triethoxysilyl)propyl]urea 23779-32-0 DTXSID5044493 ER Pathway Model, Agonist Model Score 0 Unitless CCO[Si](CCCNC(N)=O)(OCC)OCC 1-[3-(Triethoxysilyl)propyl]urea 23779-32-0|1-[3-(Triethoxysilyl)propyl]urea|-Ureidopropyltriethoxysilane|EINECS 245-876-7|N-(Triethoxysilylpropyl)urea|Urea, [3-(triethoxysilyl)propyl]-|872006-13-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044493
ERPathway2016 ERPathway2016_1388 1-[3-(Triethoxysilyl)propyl]urea 23779-32-0 DTXSID5044493 ER Pathway Model, Antagonist Model Score 0 Unitless CCO[Si](CCCNC(N)=O)(OCC)OCC 1-[3-(Triethoxysilyl)propyl]urea 23779-32-0|1-[3-(Triethoxysilyl)propyl]urea|-Ureidopropyltriethoxysilane|EINECS 245-876-7|N-(Triethoxysilylpropyl)urea|Urea, [3-(triethoxysilyl)propyl]-|872006-13-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044493
ERPathway2016 ERPathway2016_1388 1-[3-(Triethoxysilyl)propyl]urea 23779-32-0 DTXSID5044493 ER Pathway Model, Agonist Call Inactive Unitless CCO[Si](CCCNC(N)=O)(OCC)OCC 1-[3-(Triethoxysilyl)propyl]urea 23779-32-0|1-[3-(Triethoxysilyl)propyl]urea|-Ureidopropyltriethoxysilane|EINECS 245-876-7|N-(Triethoxysilylpropyl)urea|Urea, [3-(triethoxysilyl)propyl]-|872006-13-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044493
ERPathway2016 ERPathway2016_1388 1-[3-(Triethoxysilyl)propyl]urea 23779-32-0 DTXSID5044493 ER Pathway Model, Antagonist Call Inactive Unitless CCO[Si](CCCNC(N)=O)(OCC)OCC 1-[3-(Triethoxysilyl)propyl]urea 23779-32-0|1-[3-(Triethoxysilyl)propyl]urea|-Ureidopropyltriethoxysilane|EINECS 245-876-7|N-(Triethoxysilylpropyl)urea|Urea, [3-(triethoxysilyl)propyl]-|872006-13-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044493
ARPathway2016 ARPathway2016_606 10-Undecenoic acid 112-38-9 DTXSID8035001 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CCCCCCCCC=C 10-Undecenoic acid 112-38-9|10-Undecenoic acid|10-Hendecenoic acid|10-Undecanoic acid|10-UNDECENSAEURE|10-Undecylenic acid|4-02-00-01612|9-Undecylenic acid|acide 10-undecanoique|acide 10-undecylique|Acide undec-10-enoique|acido 10-undecenoico|acido undec-10-enoico|BRN 1762631|Caswell No. 901|Desenex|EINECS 203-965-8|EPA Pesticide Chemical Code 085501|FEMA No. 3247|Hendecenoic acid, omega-|Kyselina 9-decen-1-karboxylova|Kyselina undecylenova|NSC 2013|omega-hendecenoic acid|omega-undecenoic acid|Renselin|Sevinon|undec-10-enoic acid|Undec-10-ensaure|undecelinic acid|undecen-10-acid-1|Undecen-10-saeure|Undecenoic acid|Undecenoic acid, omega-|Undecyl-10-enic acid|Undecylenic acid|UNII-K3D86KJ24N|o-Hendecenoic acid|o-Undecenoic acid|949900-17-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035001
ARPathway2016 ARPathway2016_606 10-Undecenoic acid 112-38-9 DTXSID8035001 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)CCCCCCCCC=C 10-Undecenoic acid 112-38-9|10-Undecenoic acid|10-Hendecenoic acid|10-Undecanoic acid|10-UNDECENSAEURE|10-Undecylenic acid|4-02-00-01612|9-Undecylenic acid|acide 10-undecanoique|acide 10-undecylique|Acide undec-10-enoique|acido 10-undecenoico|acido undec-10-enoico|BRN 1762631|Caswell No. 901|Desenex|EINECS 203-965-8|EPA Pesticide Chemical Code 085501|FEMA No. 3247|Hendecenoic acid, omega-|Kyselina 9-decen-1-karboxylova|Kyselina undecylenova|NSC 2013|omega-hendecenoic acid|omega-undecenoic acid|Renselin|Sevinon|undec-10-enoic acid|Undec-10-ensaure|undecelinic acid|undecen-10-acid-1|Undecen-10-saeure|Undecenoic acid|Undecenoic acid, omega-|Undecyl-10-enic acid|Undecylenic acid|UNII-K3D86KJ24N|o-Hendecenoic acid|o-Undecenoic acid|949900-17-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035001
ARPathway2016 ARPathway2016_606 10-Undecenoic acid 112-38-9 DTXSID8035001 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)CCCCCCCCC=C 10-Undecenoic acid 112-38-9|10-Undecenoic acid|10-Hendecenoic acid|10-Undecanoic acid|10-UNDECENSAEURE|10-Undecylenic acid|4-02-00-01612|9-Undecylenic acid|acide 10-undecanoique|acide 10-undecylique|Acide undec-10-enoique|acido 10-undecenoico|acido undec-10-enoico|BRN 1762631|Caswell No. 901|Desenex|EINECS 203-965-8|EPA Pesticide Chemical Code 085501|FEMA No. 3247|Hendecenoic acid, omega-|Kyselina 9-decen-1-karboxylova|Kyselina undecylenova|NSC 2013|omega-hendecenoic acid|omega-undecenoic acid|Renselin|Sevinon|undec-10-enoic acid|Undec-10-ensaure|undecelinic acid|undecen-10-acid-1|Undecen-10-saeure|Undecenoic acid|Undecenoic acid, omega-|Undecyl-10-enic acid|Undecylenic acid|UNII-K3D86KJ24N|o-Hendecenoic acid|o-Undecenoic acid|949900-17-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035001
ARPathway2016 ARPathway2016_606 10-Undecenoic acid 112-38-9 DTXSID8035001 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)CCCCCCCCC=C 10-Undecenoic acid 112-38-9|10-Undecenoic acid|10-Hendecenoic acid|10-Undecanoic acid|10-UNDECENSAEURE|10-Undecylenic acid|4-02-00-01612|9-Undecylenic acid|acide 10-undecanoique|acide 10-undecylique|Acide undec-10-enoique|acido 10-undecenoico|acido undec-10-enoico|BRN 1762631|Caswell No. 901|Desenex|EINECS 203-965-8|EPA Pesticide Chemical Code 085501|FEMA No. 3247|Hendecenoic acid, omega-|Kyselina 9-decen-1-karboxylova|Kyselina undecylenova|NSC 2013|omega-hendecenoic acid|omega-undecenoic acid|Renselin|Sevinon|undec-10-enoic acid|Undec-10-ensaure|undecelinic acid|undecen-10-acid-1|Undecen-10-saeure|Undecenoic acid|Undecenoic acid, omega-|Undecyl-10-enic acid|Undecylenic acid|UNII-K3D86KJ24N|o-Hendecenoic acid|o-Undecenoic acid|949900-17-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035001
ERPathway2016 ERPathway2016_671 10-Undecenoic acid 112-38-9 DTXSID8035001 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)CCCCCCCCC=C 10-Undecenoic acid 112-38-9|10-Undecenoic acid|10-Hendecenoic acid|10-Undecanoic acid|10-UNDECENSAEURE|10-Undecylenic acid|4-02-00-01612|9-Undecylenic acid|acide 10-undecanoique|acide 10-undecylique|Acide undec-10-enoique|acido 10-undecenoico|acido undec-10-enoico|BRN 1762631|Caswell No. 901|Desenex|EINECS 203-965-8|EPA Pesticide Chemical Code 085501|FEMA No. 3247|Hendecenoic acid, omega-|Kyselina 9-decen-1-karboxylova|Kyselina undecylenova|NSC 2013|omega-hendecenoic acid|omega-undecenoic acid|Renselin|Sevinon|undec-10-enoic acid|Undec-10-ensaure|undecelinic acid|undecen-10-acid-1|Undecen-10-saeure|Undecenoic acid|Undecenoic acid, omega-|Undecyl-10-enic acid|Undecylenic acid|UNII-K3D86KJ24N|o-Hendecenoic acid|o-Undecenoic acid|949900-17-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035001
ERPathway2016 ERPathway2016_671 10-Undecenoic acid 112-38-9 DTXSID8035001 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CCCCCCCCC=C 10-Undecenoic acid 112-38-9|10-Undecenoic acid|10-Hendecenoic acid|10-Undecanoic acid|10-UNDECENSAEURE|10-Undecylenic acid|4-02-00-01612|9-Undecylenic acid|acide 10-undecanoique|acide 10-undecylique|Acide undec-10-enoique|acido 10-undecenoico|acido undec-10-enoico|BRN 1762631|Caswell No. 901|Desenex|EINECS 203-965-8|EPA Pesticide Chemical Code 085501|FEMA No. 3247|Hendecenoic acid, omega-|Kyselina 9-decen-1-karboxylova|Kyselina undecylenova|NSC 2013|omega-hendecenoic acid|omega-undecenoic acid|Renselin|Sevinon|undec-10-enoic acid|Undec-10-ensaure|undecelinic acid|undecen-10-acid-1|Undecen-10-saeure|Undecenoic acid|Undecenoic acid, omega-|Undecyl-10-enic acid|Undecylenic acid|UNII-K3D86KJ24N|o-Hendecenoic acid|o-Undecenoic acid|949900-17-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035001
ERPathway2016 ERPathway2016_671 10-Undecenoic acid 112-38-9 DTXSID8035001 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)CCCCCCCCC=C 10-Undecenoic acid 112-38-9|10-Undecenoic acid|10-Hendecenoic acid|10-Undecanoic acid|10-UNDECENSAEURE|10-Undecylenic acid|4-02-00-01612|9-Undecylenic acid|acide 10-undecanoique|acide 10-undecylique|Acide undec-10-enoique|acido 10-undecenoico|acido undec-10-enoico|BRN 1762631|Caswell No. 901|Desenex|EINECS 203-965-8|EPA Pesticide Chemical Code 085501|FEMA No. 3247|Hendecenoic acid, omega-|Kyselina 9-decen-1-karboxylova|Kyselina undecylenova|NSC 2013|omega-hendecenoic acid|omega-undecenoic acid|Renselin|Sevinon|undec-10-enoic acid|Undec-10-ensaure|undecelinic acid|undecen-10-acid-1|Undecen-10-saeure|Undecenoic acid|Undecenoic acid, omega-|Undecyl-10-enic acid|Undecylenic acid|UNII-K3D86KJ24N|o-Hendecenoic acid|o-Undecenoic acid|949900-17-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035001
ERPathway2016 ERPathway2016_671 10-Undecenoic acid 112-38-9 DTXSID8035001 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)CCCCCCCCC=C 10-Undecenoic acid 112-38-9|10-Undecenoic acid|10-Hendecenoic acid|10-Undecanoic acid|10-UNDECENSAEURE|10-Undecylenic acid|4-02-00-01612|9-Undecylenic acid|acide 10-undecanoique|acide 10-undecylique|Acide undec-10-enoique|acido 10-undecenoico|acido undec-10-enoico|BRN 1762631|Caswell No. 901|Desenex|EINECS 203-965-8|EPA Pesticide Chemical Code 085501|FEMA No. 3247|Hendecenoic acid, omega-|Kyselina 9-decen-1-karboxylova|Kyselina undecylenova|NSC 2013|omega-hendecenoic acid|omega-undecenoic acid|Renselin|Sevinon|undec-10-enoic acid|Undec-10-ensaure|undecelinic acid|undecen-10-acid-1|Undecen-10-saeure|Undecenoic acid|Undecenoic acid, omega-|Undecyl-10-enic acid|Undecylenic acid|UNII-K3D86KJ24N|o-Hendecenoic acid|o-Undecenoic acid|949900-17-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035001
ARPathway2016 ARPathway2016_237 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8 DTXSID6043915 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 4.51516253540114 uM CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-alpha-Hexanoyloxypregn-4-ene-3,20-dione|17-alpha-Hydroxy progesterone n-caproate|17-alpha-Hydroxyprogesterone caproate|17-alpha-Hydroxyprogesterone hexanoate|17-Hydroxypregn-4-ene-3,20-dione hexanoate|17-hydroxyprogesterone-caproate|17alpha-Caproyloxypregn-4-ene-3,20-dione|17alpha-Hydroxyprogesterone caproate|17alpha-Hydroxyprogesterone caproate [Progestins]|17alpha-Hydroxyprogesterone hexanoate|17alpha-Hydroxyprogesterone n-caproate|17alpha-Hydroxyprogesterone-17alpha caproate|3,20-Dioxo-4-pregnen-17alpha-yl hexanoat|3,20-Dioxopregn-4-en-17alpha-yl caproate|Caproate d'hydroxyprogesterone|Caproato de hidroxiprogesterona|Corlutin L.A.|Delalutin|Depo-Proluton|Duraluton|EINECS 211-138-8|Estralutin|Gestiva|Hexanoic acid, ester with 17-hydroxypregn-4-ene-3,20-dione|Hormofort|Hydroxyprogesterone caproate|Hydroxyprogesterone hexanoate|Hydroxyprogesteroni caproas|Hylutin|Hyproval|Hyproval-PA|Hyroxon|Idrogestene|Idroprogesterone caproato|Kaprogest|Luteocrin|Luteocrin depot https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043915
ARPathway2016 ARPathway2016_237 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8 DTXSID6043915 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 2.68610517058163 uM CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-alpha-Hexanoyloxypregn-4-ene-3,20-dione|17-alpha-Hydroxy progesterone n-caproate|17-alpha-Hydroxyprogesterone caproate|17-alpha-Hydroxyprogesterone hexanoate|17-Hydroxypregn-4-ene-3,20-dione hexanoate|17-hydroxyprogesterone-caproate|17alpha-Caproyloxypregn-4-ene-3,20-dione|17alpha-Hydroxyprogesterone caproate|17alpha-Hydroxyprogesterone caproate [Progestins]|17alpha-Hydroxyprogesterone hexanoate|17alpha-Hydroxyprogesterone n-caproate|17alpha-Hydroxyprogesterone-17alpha caproate|3,20-Dioxo-4-pregnen-17alpha-yl hexanoat|3,20-Dioxopregn-4-en-17alpha-yl caproate|Caproate d'hydroxyprogesterone|Caproato de hidroxiprogesterona|Corlutin L.A.|Delalutin|Depo-Proluton|Duraluton|EINECS 211-138-8|Estralutin|Gestiva|Hexanoic acid, ester with 17-hydroxypregn-4-ene-3,20-dione|Hormofort|Hydroxyprogesterone caproate|Hydroxyprogesterone hexanoate|Hydroxyprogesteroni caproas|Hylutin|Hyproval|Hyproval-PA|Hyroxon|Idrogestene|Idroprogesterone caproato|Kaprogest|Luteocrin|Luteocrin depot https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043915
ARPathway2016 ARPathway2016_237 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8 DTXSID6043915 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.329 Unitless CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-alpha-Hexanoyloxypregn-4-ene-3,20-dione|17-alpha-Hydroxy progesterone n-caproate|17-alpha-Hydroxyprogesterone caproate|17-alpha-Hydroxyprogesterone hexanoate|17-Hydroxypregn-4-ene-3,20-dione hexanoate|17-hydroxyprogesterone-caproate|17alpha-Caproyloxypregn-4-ene-3,20-dione|17alpha-Hydroxyprogesterone caproate|17alpha-Hydroxyprogesterone caproate [Progestins]|17alpha-Hydroxyprogesterone hexanoate|17alpha-Hydroxyprogesterone n-caproate|17alpha-Hydroxyprogesterone-17alpha caproate|3,20-Dioxo-4-pregnen-17alpha-yl hexanoat|3,20-Dioxopregn-4-en-17alpha-yl caproate|Caproate d'hydroxyprogesterone|Caproato de hidroxiprogesterona|Corlutin L.A.|Delalutin|Depo-Proluton|Duraluton|EINECS 211-138-8|Estralutin|Gestiva|Hexanoic acid, ester with 17-hydroxypregn-4-ene-3,20-dione|Hormofort|Hydroxyprogesterone caproate|Hydroxyprogesterone hexanoate|Hydroxyprogesteroni caproas|Hylutin|Hyproval|Hyproval-PA|Hyroxon|Idrogestene|Idroprogesterone caproato|Kaprogest|Luteocrin|Luteocrin depot https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043915
ARPathway2016 ARPathway2016_237 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8 DTXSID6043915 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0.0331 Unitless CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-alpha-Hexanoyloxypregn-4-ene-3,20-dione|17-alpha-Hydroxy progesterone n-caproate|17-alpha-Hydroxyprogesterone caproate|17-alpha-Hydroxyprogesterone hexanoate|17-Hydroxypregn-4-ene-3,20-dione hexanoate|17-hydroxyprogesterone-caproate|17alpha-Caproyloxypregn-4-ene-3,20-dione|17alpha-Hydroxyprogesterone caproate|17alpha-Hydroxyprogesterone caproate [Progestins]|17alpha-Hydroxyprogesterone hexanoate|17alpha-Hydroxyprogesterone n-caproate|17alpha-Hydroxyprogesterone-17alpha caproate|3,20-Dioxo-4-pregnen-17alpha-yl hexanoat|3,20-Dioxopregn-4-en-17alpha-yl caproate|Caproate d'hydroxyprogesterone|Caproato de hidroxiprogesterona|Corlutin L.A.|Delalutin|Depo-Proluton|Duraluton|EINECS 211-138-8|Estralutin|Gestiva|Hexanoic acid, ester with 17-hydroxypregn-4-ene-3,20-dione|Hormofort|Hydroxyprogesterone caproate|Hydroxyprogesterone hexanoate|Hydroxyprogesteroni caproas|Hylutin|Hyproval|Hyproval-PA|Hyroxon|Idrogestene|Idroprogesterone caproato|Kaprogest|Luteocrin|Luteocrin depot https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043915
ARPathway2016 ARPathway2016_237 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8 DTXSID6043915 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-alpha-Hexanoyloxypregn-4-ene-3,20-dione|17-alpha-Hydroxy progesterone n-caproate|17-alpha-Hydroxyprogesterone caproate|17-alpha-Hydroxyprogesterone hexanoate|17-Hydroxypregn-4-ene-3,20-dione hexanoate|17-hydroxyprogesterone-caproate|17alpha-Caproyloxypregn-4-ene-3,20-dione|17alpha-Hydroxyprogesterone caproate|17alpha-Hydroxyprogesterone caproate [Progestins]|17alpha-Hydroxyprogesterone hexanoate|17alpha-Hydroxyprogesterone n-caproate|17alpha-Hydroxyprogesterone-17alpha caproate|3,20-Dioxo-4-pregnen-17alpha-yl hexanoat|3,20-Dioxopregn-4-en-17alpha-yl caproate|Caproate d'hydroxyprogesterone|Caproato de hidroxiprogesterona|Corlutin L.A.|Delalutin|Depo-Proluton|Duraluton|EINECS 211-138-8|Estralutin|Gestiva|Hexanoic acid, ester with 17-hydroxypregn-4-ene-3,20-dione|Hormofort|Hydroxyprogesterone caproate|Hydroxyprogesterone hexanoate|Hydroxyprogesteroni caproas|Hylutin|Hyproval|Hyproval-PA|Hyroxon|Idrogestene|Idroprogesterone caproato|Kaprogest|Luteocrin|Luteocrin depot https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043915
ARPathway2016 ARPathway2016_237 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8 DTXSID6043915 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-alpha-Hexanoyloxypregn-4-ene-3,20-dione|17-alpha-Hydroxy progesterone n-caproate|17-alpha-Hydroxyprogesterone caproate|17-alpha-Hydroxyprogesterone hexanoate|17-Hydroxypregn-4-ene-3,20-dione hexanoate|17-hydroxyprogesterone-caproate|17alpha-Caproyloxypregn-4-ene-3,20-dione|17alpha-Hydroxyprogesterone caproate|17alpha-Hydroxyprogesterone caproate [Progestins]|17alpha-Hydroxyprogesterone hexanoate|17alpha-Hydroxyprogesterone n-caproate|17alpha-Hydroxyprogesterone-17alpha caproate|3,20-Dioxo-4-pregnen-17alpha-yl hexanoat|3,20-Dioxopregn-4-en-17alpha-yl caproate|Caproate d'hydroxyprogesterone|Caproato de hidroxiprogesterona|Corlutin L.A.|Delalutin|Depo-Proluton|Duraluton|EINECS 211-138-8|Estralutin|Gestiva|Hexanoic acid, ester with 17-hydroxypregn-4-ene-3,20-dione|Hormofort|Hydroxyprogesterone caproate|Hydroxyprogesterone hexanoate|Hydroxyprogesteroni caproas|Hylutin|Hyproval|Hyproval-PA|Hyroxon|Idrogestene|Idroprogesterone caproato|Kaprogest|Luteocrin|Luteocrin depot https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043915
ERPathway2016 ERPathway2016_12 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8 DTXSID6043915 R8 ER Pathway Model, Agonist AC50 5.4649485429252 uM CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-alpha-Hexanoyloxypregn-4-ene-3,20-dione|17-alpha-Hydroxy progesterone n-caproate|17-alpha-Hydroxyprogesterone caproate|17-alpha-Hydroxyprogesterone hexanoate|17-Hydroxypregn-4-ene-3,20-dione hexanoate|17-hydroxyprogesterone-caproate|17alpha-Caproyloxypregn-4-ene-3,20-dione|17alpha-Hydroxyprogesterone caproate|17alpha-Hydroxyprogesterone caproate [Progestins]|17alpha-Hydroxyprogesterone hexanoate|17alpha-Hydroxyprogesterone n-caproate|17alpha-Hydroxyprogesterone-17alpha caproate|3,20-Dioxo-4-pregnen-17alpha-yl hexanoat|3,20-Dioxopregn-4-en-17alpha-yl caproate|Caproate d'hydroxyprogesterone|Caproato de hidroxiprogesterona|Corlutin L.A.|Delalutin|Depo-Proluton|Duraluton|EINECS 211-138-8|Estralutin|Gestiva|Hexanoic acid, ester with 17-hydroxypregn-4-ene-3,20-dione|Hormofort|Hydroxyprogesterone caproate|Hydroxyprogesterone hexanoate|Hydroxyprogesteroni caproas|Hylutin|Hyproval|Hyproval-PA|Hyroxon|Idrogestene|Idroprogesterone caproato|Kaprogest|Luteocrin|Luteocrin depot https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043915
ERPathway2016 ERPathway2016_12 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8 DTXSID6043915 R8 ER Pathway Model, Agonist ACC 5.72224005595178 uM CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-alpha-Hexanoyloxypregn-4-ene-3,20-dione|17-alpha-Hydroxy progesterone n-caproate|17-alpha-Hydroxyprogesterone caproate|17-alpha-Hydroxyprogesterone hexanoate|17-Hydroxypregn-4-ene-3,20-dione hexanoate|17-hydroxyprogesterone-caproate|17alpha-Caproyloxypregn-4-ene-3,20-dione|17alpha-Hydroxyprogesterone caproate|17alpha-Hydroxyprogesterone caproate [Progestins]|17alpha-Hydroxyprogesterone hexanoate|17alpha-Hydroxyprogesterone n-caproate|17alpha-Hydroxyprogesterone-17alpha caproate|3,20-Dioxo-4-pregnen-17alpha-yl hexanoat|3,20-Dioxopregn-4-en-17alpha-yl caproate|Caproate d'hydroxyprogesterone|Caproato de hidroxiprogesterona|Corlutin L.A.|Delalutin|Depo-Proluton|Duraluton|EINECS 211-138-8|Estralutin|Gestiva|Hexanoic acid, ester with 17-hydroxypregn-4-ene-3,20-dione|Hormofort|Hydroxyprogesterone caproate|Hydroxyprogesterone hexanoate|Hydroxyprogesteroni caproas|Hylutin|Hyproval|Hyproval-PA|Hyroxon|Idrogestene|Idroprogesterone caproato|Kaprogest|Luteocrin|Luteocrin depot https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043915
ERPathway2016 ERPathway2016_12 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8 DTXSID6043915 R8 ER Pathway Model, Agonist Model Score 0.0177 Unitless CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-alpha-Hexanoyloxypregn-4-ene-3,20-dione|17-alpha-Hydroxy progesterone n-caproate|17-alpha-Hydroxyprogesterone caproate|17-alpha-Hydroxyprogesterone hexanoate|17-Hydroxypregn-4-ene-3,20-dione hexanoate|17-hydroxyprogesterone-caproate|17alpha-Caproyloxypregn-4-ene-3,20-dione|17alpha-Hydroxyprogesterone caproate|17alpha-Hydroxyprogesterone caproate [Progestins]|17alpha-Hydroxyprogesterone hexanoate|17alpha-Hydroxyprogesterone n-caproate|17alpha-Hydroxyprogesterone-17alpha caproate|3,20-Dioxo-4-pregnen-17alpha-yl hexanoat|3,20-Dioxopregn-4-en-17alpha-yl caproate|Caproate d'hydroxyprogesterone|Caproato de hidroxiprogesterona|Corlutin L.A.|Delalutin|Depo-Proluton|Duraluton|EINECS 211-138-8|Estralutin|Gestiva|Hexanoic acid, ester with 17-hydroxypregn-4-ene-3,20-dione|Hormofort|Hydroxyprogesterone caproate|Hydroxyprogesterone hexanoate|Hydroxyprogesteroni caproas|Hylutin|Hyproval|Hyproval-PA|Hyroxon|Idrogestene|Idroprogesterone caproato|Kaprogest|Luteocrin|Luteocrin depot https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043915
ERPathway2016 ERPathway2016_12 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8 DTXSID6043915 R8 ER Pathway Model, Antagonist Model Score 0.0202 Unitless CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-alpha-Hexanoyloxypregn-4-ene-3,20-dione|17-alpha-Hydroxy progesterone n-caproate|17-alpha-Hydroxyprogesterone caproate|17-alpha-Hydroxyprogesterone hexanoate|17-Hydroxypregn-4-ene-3,20-dione hexanoate|17-hydroxyprogesterone-caproate|17alpha-Caproyloxypregn-4-ene-3,20-dione|17alpha-Hydroxyprogesterone caproate|17alpha-Hydroxyprogesterone caproate [Progestins]|17alpha-Hydroxyprogesterone hexanoate|17alpha-Hydroxyprogesterone n-caproate|17alpha-Hydroxyprogesterone-17alpha caproate|3,20-Dioxo-4-pregnen-17alpha-yl hexanoat|3,20-Dioxopregn-4-en-17alpha-yl caproate|Caproate d'hydroxyprogesterone|Caproato de hidroxiprogesterona|Corlutin L.A.|Delalutin|Depo-Proluton|Duraluton|EINECS 211-138-8|Estralutin|Gestiva|Hexanoic acid, ester with 17-hydroxypregn-4-ene-3,20-dione|Hormofort|Hydroxyprogesterone caproate|Hydroxyprogesterone hexanoate|Hydroxyprogesteroni caproas|Hylutin|Hyproval|Hyproval-PA|Hyroxon|Idrogestene|Idroprogesterone caproato|Kaprogest|Luteocrin|Luteocrin depot https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043915
ERPathway2016 ERPathway2016_12 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8 DTXSID6043915 R8 ER Pathway Model, Agonist Call Active Unitless CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-alpha-Hexanoyloxypregn-4-ene-3,20-dione|17-alpha-Hydroxy progesterone n-caproate|17-alpha-Hydroxyprogesterone caproate|17-alpha-Hydroxyprogesterone hexanoate|17-Hydroxypregn-4-ene-3,20-dione hexanoate|17-hydroxyprogesterone-caproate|17alpha-Caproyloxypregn-4-ene-3,20-dione|17alpha-Hydroxyprogesterone caproate|17alpha-Hydroxyprogesterone caproate [Progestins]|17alpha-Hydroxyprogesterone hexanoate|17alpha-Hydroxyprogesterone n-caproate|17alpha-Hydroxyprogesterone-17alpha caproate|3,20-Dioxo-4-pregnen-17alpha-yl hexanoat|3,20-Dioxopregn-4-en-17alpha-yl caproate|Caproate d'hydroxyprogesterone|Caproato de hidroxiprogesterona|Corlutin L.A.|Delalutin|Depo-Proluton|Duraluton|EINECS 211-138-8|Estralutin|Gestiva|Hexanoic acid, ester with 17-hydroxypregn-4-ene-3,20-dione|Hormofort|Hydroxyprogesterone caproate|Hydroxyprogesterone hexanoate|Hydroxyprogesteroni caproas|Hylutin|Hyproval|Hyproval-PA|Hyroxon|Idrogestene|Idroprogesterone caproato|Kaprogest|Luteocrin|Luteocrin depot https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043915
ERPathway2016 ERPathway2016_12 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8 DTXSID6043915 R8 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione 630-56-8|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione|17-alpha-Hexanoyloxypregn-4-ene-3,20-dione|17-alpha-Hydroxy progesterone n-caproate|17-alpha-Hydroxyprogesterone caproate|17-alpha-Hydroxyprogesterone hexanoate|17-Hydroxypregn-4-ene-3,20-dione hexanoate|17-hydroxyprogesterone-caproate|17alpha-Caproyloxypregn-4-ene-3,20-dione|17alpha-Hydroxyprogesterone caproate|17alpha-Hydroxyprogesterone caproate [Progestins]|17alpha-Hydroxyprogesterone hexanoate|17alpha-Hydroxyprogesterone n-caproate|17alpha-Hydroxyprogesterone-17alpha caproate|3,20-Dioxo-4-pregnen-17alpha-yl hexanoat|3,20-Dioxopregn-4-en-17alpha-yl caproate|Caproate d'hydroxyprogesterone|Caproato de hidroxiprogesterona|Corlutin L.A.|Delalutin|Depo-Proluton|Duraluton|EINECS 211-138-8|Estralutin|Gestiva|Hexanoic acid, ester with 17-hydroxypregn-4-ene-3,20-dione|Hormofort|Hydroxyprogesterone caproate|Hydroxyprogesterone hexanoate|Hydroxyprogesteroni caproas|Hylutin|Hyproval|Hyproval-PA|Hyroxon|Idrogestene|Idroprogesterone caproato|Kaprogest|Luteocrin|Luteocrin depot https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043915
ARPathway2016 ARPathway2016_374 17alpha-Estradiol 57-91-0 DTXSID8022377 True antagonist shift (Hit/Hit) 5.0 Agonist AR Pathway Model, Antagonist ACC 0.026767854 uM [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Estradiol 57-91-0|17alpha-Estradiol|(1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|1,3,5-Estratriene-3,17-alpha-diol|1,3,5-Estratriene-3,17a-diol|1,3,5-Estratriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|17-Epiestradiol|17a-Oestradiol|17a-Estradiol|17a-Oestradiol|3,17-alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17-Dihydroxyestratriene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|3,17alpha-Dihydroxyestra-1,3,5(10)-triene|3,17alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|4-06-00-06611|a-Estradiol|Alfatradiol|alpha-estradiol|BRN 2698044|EINECS 200-354-8|Epiestradiol|Epiestrol|Estra-1,3,5(10)-trien-3,17a-diol|Estra-1,3,5(10)-triene-3,17-diol, (17a)-|Estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-trieno-3,17a-diol|estradiol-17alpha|NSC 20293|Oestra-1,3,5(10)-triene-3,17a-diol|Oestra-1,3,5(10)-triene-3,17a https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022377
ARPathway2016 ARPathway2016_374 17alpha-Estradiol 57-91-0 DTXSID8022377 True antagonist shift (Hit/Hit) 5.0 Agonist AR Pathway Model, Antagonist AC50 0.151030019 uM [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Estradiol 57-91-0|17alpha-Estradiol|(1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|1,3,5-Estratriene-3,17-alpha-diol|1,3,5-Estratriene-3,17a-diol|1,3,5-Estratriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|17-Epiestradiol|17a-Oestradiol|17a-Estradiol|17a-Oestradiol|3,17-alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17-Dihydroxyestratriene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|3,17alpha-Dihydroxyestra-1,3,5(10)-triene|3,17alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|4-06-00-06611|a-Estradiol|Alfatradiol|alpha-estradiol|BRN 2698044|EINECS 200-354-8|Epiestradiol|Epiestrol|Estra-1,3,5(10)-trien-3,17a-diol|Estra-1,3,5(10)-triene-3,17-diol, (17a)-|Estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-trieno-3,17a-diol|estradiol-17alpha|NSC 20293|Oestra-1,3,5(10)-triene-3,17a-diol|Oestra-1,3,5(10)-triene-3,17a https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022377
ARPathway2016 ARPathway2016_374 17alpha-Estradiol 57-91-0 DTXSID8022377 True antagonist shift (Hit/Hit) 5.0 Agonist AR Pathway Model, Antagonist Model Score 0.0925 Unitless [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Estradiol 57-91-0|17alpha-Estradiol|(1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|1,3,5-Estratriene-3,17-alpha-diol|1,3,5-Estratriene-3,17a-diol|1,3,5-Estratriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|17-Epiestradiol|17a-Oestradiol|17a-Estradiol|17a-Oestradiol|3,17-alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17-Dihydroxyestratriene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|3,17alpha-Dihydroxyestra-1,3,5(10)-triene|3,17alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|4-06-00-06611|a-Estradiol|Alfatradiol|alpha-estradiol|BRN 2698044|EINECS 200-354-8|Epiestradiol|Epiestrol|Estra-1,3,5(10)-trien-3,17a-diol|Estra-1,3,5(10)-triene-3,17-diol, (17a)-|Estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-trieno-3,17a-diol|estradiol-17alpha|NSC 20293|Oestra-1,3,5(10)-triene-3,17a-diol|Oestra-1,3,5(10)-triene-3,17a https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022377
ARPathway2016 ARPathway2016_374 17alpha-Estradiol 57-91-0 DTXSID8022377 True antagonist shift (Hit/Hit) 5.0 Agonist AR Pathway Model, Agonist Model Score 0.669 Unitless [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Estradiol 57-91-0|17alpha-Estradiol|(1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|1,3,5-Estratriene-3,17-alpha-diol|1,3,5-Estratriene-3,17a-diol|1,3,5-Estratriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|17-Epiestradiol|17a-Oestradiol|17a-Estradiol|17a-Oestradiol|3,17-alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17-Dihydroxyestratriene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|3,17alpha-Dihydroxyestra-1,3,5(10)-triene|3,17alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|4-06-00-06611|a-Estradiol|Alfatradiol|alpha-estradiol|BRN 2698044|EINECS 200-354-8|Epiestradiol|Epiestrol|Estra-1,3,5(10)-trien-3,17a-diol|Estra-1,3,5(10)-triene-3,17-diol, (17a)-|Estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-trieno-3,17a-diol|estradiol-17alpha|NSC 20293|Oestra-1,3,5(10)-triene-3,17a-diol|Oestra-1,3,5(10)-triene-3,17a https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022377
ARPathway2016 ARPathway2016_374 17alpha-Estradiol 57-91-0 DTXSID8022377 True antagonist shift (Hit/Hit) 5.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Estradiol 57-91-0|17alpha-Estradiol|(1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|1,3,5-Estratriene-3,17-alpha-diol|1,3,5-Estratriene-3,17a-diol|1,3,5-Estratriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|17-Epiestradiol|17a-Oestradiol|17a-Estradiol|17a-Oestradiol|3,17-alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17-Dihydroxyestratriene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|3,17alpha-Dihydroxyestra-1,3,5(10)-triene|3,17alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|4-06-00-06611|a-Estradiol|Alfatradiol|alpha-estradiol|BRN 2698044|EINECS 200-354-8|Epiestradiol|Epiestrol|Estra-1,3,5(10)-trien-3,17a-diol|Estra-1,3,5(10)-triene-3,17-diol, (17a)-|Estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-trieno-3,17a-diol|estradiol-17alpha|NSC 20293|Oestra-1,3,5(10)-triene-3,17a-diol|Oestra-1,3,5(10)-triene-3,17a https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022377
ARPathway2016 ARPathway2016_374 17alpha-Estradiol 57-91-0 DTXSID8022377 True antagonist shift (Hit/Hit) 5.0 Agonist AR Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Estradiol 57-91-0|17alpha-Estradiol|(1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|1,3,5-Estratriene-3,17-alpha-diol|1,3,5-Estratriene-3,17a-diol|1,3,5-Estratriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|17-Epiestradiol|17a-Oestradiol|17a-Estradiol|17a-Oestradiol|3,17-alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17-Dihydroxyestratriene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|3,17alpha-Dihydroxyestra-1,3,5(10)-triene|3,17alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|4-06-00-06611|a-Estradiol|Alfatradiol|alpha-estradiol|BRN 2698044|EINECS 200-354-8|Epiestradiol|Epiestrol|Estra-1,3,5(10)-trien-3,17a-diol|Estra-1,3,5(10)-triene-3,17-diol, (17a)-|Estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-trieno-3,17a-diol|estradiol-17alpha|NSC 20293|Oestra-1,3,5(10)-triene-3,17a-diol|Oestra-1,3,5(10)-triene-3,17a https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022377
ERPathway2016 ERPathway2016_144 17alpha-Estradiol 57-91-0 DTXSID8022377 Agonist ER Pathway Model, Antagonist AC50 0.00292475771265807 uM [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Estradiol 57-91-0|17alpha-Estradiol|(1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|1,3,5-Estratriene-3,17-alpha-diol|1,3,5-Estratriene-3,17a-diol|1,3,5-Estratriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|17-Epiestradiol|17a-Oestradiol|17a-Estradiol|17a-Oestradiol|3,17-alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17-Dihydroxyestratriene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|3,17alpha-Dihydroxyestra-1,3,5(10)-triene|3,17alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|4-06-00-06611|a-Estradiol|Alfatradiol|alpha-estradiol|BRN 2698044|EINECS 200-354-8|Epiestradiol|Epiestrol|Estra-1,3,5(10)-trien-3,17a-diol|Estra-1,3,5(10)-triene-3,17-diol, (17a)-|Estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-trieno-3,17a-diol|estradiol-17alpha|NSC 20293|Oestra-1,3,5(10)-triene-3,17a-diol|Oestra-1,3,5(10)-triene-3,17a https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022377
ERPathway2016 ERPathway2016_144 17alpha-Estradiol 57-91-0 DTXSID8022377 Agonist ER Pathway Model, Antagonist ACC 7.40162840399682e-05 uM [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Estradiol 57-91-0|17alpha-Estradiol|(1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|1,3,5-Estratriene-3,17-alpha-diol|1,3,5-Estratriene-3,17a-diol|1,3,5-Estratriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|17-Epiestradiol|17a-Oestradiol|17a-Estradiol|17a-Oestradiol|3,17-alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17-Dihydroxyestratriene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|3,17alpha-Dihydroxyestra-1,3,5(10)-triene|3,17alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|4-06-00-06611|a-Estradiol|Alfatradiol|alpha-estradiol|BRN 2698044|EINECS 200-354-8|Epiestradiol|Epiestrol|Estra-1,3,5(10)-trien-3,17a-diol|Estra-1,3,5(10)-triene-3,17-diol, (17a)-|Estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-trieno-3,17a-diol|estradiol-17alpha|NSC 20293|Oestra-1,3,5(10)-triene-3,17a-diol|Oestra-1,3,5(10)-triene-3,17a https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022377
ERPathway2016 ERPathway2016_144 17alpha-Estradiol 57-91-0 DTXSID8022377 Agonist ER Pathway Model, Agonist Model Score 1.06 Unitless [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Estradiol 57-91-0|17alpha-Estradiol|(1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|1,3,5-Estratriene-3,17-alpha-diol|1,3,5-Estratriene-3,17a-diol|1,3,5-Estratriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|17-Epiestradiol|17a-Oestradiol|17a-Estradiol|17a-Oestradiol|3,17-alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17-Dihydroxyestratriene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|3,17alpha-Dihydroxyestra-1,3,5(10)-triene|3,17alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|4-06-00-06611|a-Estradiol|Alfatradiol|alpha-estradiol|BRN 2698044|EINECS 200-354-8|Epiestradiol|Epiestrol|Estra-1,3,5(10)-trien-3,17a-diol|Estra-1,3,5(10)-triene-3,17-diol, (17a)-|Estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-trieno-3,17a-diol|estradiol-17alpha|NSC 20293|Oestra-1,3,5(10)-triene-3,17a-diol|Oestra-1,3,5(10)-triene-3,17a https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022377
ERPathway2016 ERPathway2016_144 17alpha-Estradiol 57-91-0 DTXSID8022377 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Estradiol 57-91-0|17alpha-Estradiol|(1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|1,3,5-Estratriene-3,17-alpha-diol|1,3,5-Estratriene-3,17a-diol|1,3,5-Estratriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|17-Epiestradiol|17a-Oestradiol|17a-Estradiol|17a-Oestradiol|3,17-alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17-Dihydroxyestratriene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|3,17alpha-Dihydroxyestra-1,3,5(10)-triene|3,17alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|4-06-00-06611|a-Estradiol|Alfatradiol|alpha-estradiol|BRN 2698044|EINECS 200-354-8|Epiestradiol|Epiestrol|Estra-1,3,5(10)-trien-3,17a-diol|Estra-1,3,5(10)-triene-3,17-diol, (17a)-|Estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-trieno-3,17a-diol|estradiol-17alpha|NSC 20293|Oestra-1,3,5(10)-triene-3,17a-diol|Oestra-1,3,5(10)-triene-3,17a https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022377
ERPathway2016 ERPathway2016_144 17alpha-Estradiol 57-91-0 DTXSID8022377 Agonist ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Estradiol 57-91-0|17alpha-Estradiol|(1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|1,3,5-Estratriene-3,17-alpha-diol|1,3,5-Estratriene-3,17a-diol|1,3,5-Estratriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|17-Epiestradiol|17a-Oestradiol|17a-Estradiol|17a-Oestradiol|3,17-alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17-Dihydroxyestratriene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|3,17alpha-Dihydroxyestra-1,3,5(10)-triene|3,17alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|4-06-00-06611|a-Estradiol|Alfatradiol|alpha-estradiol|BRN 2698044|EINECS 200-354-8|Epiestradiol|Epiestrol|Estra-1,3,5(10)-trien-3,17a-diol|Estra-1,3,5(10)-triene-3,17-diol, (17a)-|Estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-trieno-3,17a-diol|estradiol-17alpha|NSC 20293|Oestra-1,3,5(10)-triene-3,17a-diol|Oestra-1,3,5(10)-triene-3,17a https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022377
ERPathway2016 ERPathway2016_144 17alpha-Estradiol 57-91-0 DTXSID8022377 Agonist ER Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Estradiol 57-91-0|17alpha-Estradiol|(1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|1,3,5-Estratriene-3,17-alpha-diol|1,3,5-Estratriene-3,17a-diol|1,3,5-Estratriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol|17-Epiestradiol|17a-Oestradiol|17a-Estradiol|17a-Oestradiol|3,17-alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17-Dihydroxyestratriene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|3,17alpha-Dihydroxyestra-1,3,5(10)-triene|3,17alpha-Dihydroxyoestra-1,3,5(10)-triene|3,17a-Dihydroxyestra-1,3,5(10)-triene|3,17a-Dihydroxyoestra-1,3,5(10)-triene|4-06-00-06611|a-Estradiol|Alfatradiol|alpha-estradiol|BRN 2698044|EINECS 200-354-8|Epiestradiol|Epiestrol|Estra-1,3,5(10)-trien-3,17a-diol|Estra-1,3,5(10)-triene-3,17-diol, (17a)-|Estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-triene-3,17a-diol|estra-1,3,5(10)-trieno-3,17a-diol|estradiol-17alpha|NSC 20293|Oestra-1,3,5(10)-triene-3,17a-diol|Oestra-1,3,5(10)-triene-3,17a https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022377
ARPathway2016 ARPathway2016_219 17alpha-Ethinylestradiol 57-63-6 DTXSID5020576 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist AC50 1.005653731 uM [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Ethinylestradiol 57-63-6|17alpha-Ethinylestradiol|(17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol|(17a)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol|(1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|17-alpha-Ethinyl-17-beta-estradiol|17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene|17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol|17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-17-beta-oestradiol|17-alpha-Ethynylestradiol|17-alpha-Ethynylestradiol-17-beta|17-Ethinyl-3,17-estradiol|17-Ethinyl-3,17-oestradiol|17-Ethinylestradiol|17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene|17-Ethynylestra-1,3,5(10)-triene-3,17b-diol|17-Ethynylestradiol|17-Ethynylestradiol ram|17-Ethynyloestradiol|17-Nor-17a-pregna-1,3,5-(10)-trien-20-yne-3,17-diol|17a-|1050678-65-3|406932-93-2|77538-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020576 https://doi.org/10.22427/NTP-DATA-DTXSID5020576
ARPathway2016 ARPathway2016_219 17alpha-Ethinylestradiol 57-63-6 DTXSID5020576 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist ACC 0.577961914 uM [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Ethinylestradiol 57-63-6|17alpha-Ethinylestradiol|(17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol|(17a)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol|(1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|17-alpha-Ethinyl-17-beta-estradiol|17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene|17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol|17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-17-beta-oestradiol|17-alpha-Ethynylestradiol|17-alpha-Ethynylestradiol-17-beta|17-Ethinyl-3,17-estradiol|17-Ethinyl-3,17-oestradiol|17-Ethinylestradiol|17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene|17-Ethynylestra-1,3,5(10)-triene-3,17b-diol|17-Ethynylestradiol|17-Ethynylestradiol ram|17-Ethynyloestradiol|17-Nor-17a-pregna-1,3,5-(10)-trien-20-yne-3,17-diol|17a-|1050678-65-3|406932-93-2|77538-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020576 https://doi.org/10.22427/NTP-DATA-DTXSID5020576
ARPathway2016 ARPathway2016_219 17alpha-Ethinylestradiol 57-63-6 DTXSID5020576 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Antagonist Model Score 1 Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Ethinylestradiol 57-63-6|17alpha-Ethinylestradiol|(17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol|(17a)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol|(1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|17-alpha-Ethinyl-17-beta-estradiol|17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene|17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol|17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-17-beta-oestradiol|17-alpha-Ethynylestradiol|17-alpha-Ethynylestradiol-17-beta|17-Ethinyl-3,17-estradiol|17-Ethinyl-3,17-oestradiol|17-Ethinylestradiol|17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene|17-Ethynylestra-1,3,5(10)-triene-3,17b-diol|17-Ethynylestradiol|17-Ethynylestradiol ram|17-Ethynyloestradiol|17-Nor-17a-pregna-1,3,5-(10)-trien-20-yne-3,17-diol|17a-|1050678-65-3|406932-93-2|77538-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020576 https://doi.org/10.22427/NTP-DATA-DTXSID5020576
ARPathway2016 ARPathway2016_219 17alpha-Ethinylestradiol 57-63-6 DTXSID5020576 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Ethinylestradiol 57-63-6|17alpha-Ethinylestradiol|(17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol|(17a)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol|(1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|17-alpha-Ethinyl-17-beta-estradiol|17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene|17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol|17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-17-beta-oestradiol|17-alpha-Ethynylestradiol|17-alpha-Ethynylestradiol-17-beta|17-Ethinyl-3,17-estradiol|17-Ethinyl-3,17-oestradiol|17-Ethinylestradiol|17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene|17-Ethynylestra-1,3,5(10)-triene-3,17b-diol|17-Ethynylestradiol|17-Ethynylestradiol ram|17-Ethynyloestradiol|17-Nor-17a-pregna-1,3,5-(10)-trien-20-yne-3,17-diol|17a-|1050678-65-3|406932-93-2|77538-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020576 https://doi.org/10.22427/NTP-DATA-DTXSID5020576
ARPathway2016 ARPathway2016_219 17alpha-Ethinylestradiol 57-63-6 DTXSID5020576 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Ethinylestradiol 57-63-6|17alpha-Ethinylestradiol|(17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol|(17a)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol|(1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|17-alpha-Ethinyl-17-beta-estradiol|17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene|17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol|17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-17-beta-oestradiol|17-alpha-Ethynylestradiol|17-alpha-Ethynylestradiol-17-beta|17-Ethinyl-3,17-estradiol|17-Ethinyl-3,17-oestradiol|17-Ethinylestradiol|17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene|17-Ethynylestra-1,3,5(10)-triene-3,17b-diol|17-Ethynylestradiol|17-Ethynylestradiol ram|17-Ethynyloestradiol|17-Nor-17a-pregna-1,3,5-(10)-trien-20-yne-3,17-diol|17a-|1050678-65-3|406932-93-2|77538-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020576 https://doi.org/10.22427/NTP-DATA-DTXSID5020576
ARPathway2016 ARPathway2016_219 17alpha-Ethinylestradiol 57-63-6 DTXSID5020576 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Ethinylestradiol 57-63-6|17alpha-Ethinylestradiol|(17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol|(17a)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol|(1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|17-alpha-Ethinyl-17-beta-estradiol|17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene|17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol|17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-17-beta-oestradiol|17-alpha-Ethynylestradiol|17-alpha-Ethynylestradiol-17-beta|17-Ethinyl-3,17-estradiol|17-Ethinyl-3,17-oestradiol|17-Ethinylestradiol|17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene|17-Ethynylestra-1,3,5(10)-triene-3,17b-diol|17-Ethynylestradiol|17-Ethynylestradiol ram|17-Ethynyloestradiol|17-Nor-17a-pregna-1,3,5-(10)-trien-20-yne-3,17-diol|17a-|1050678-65-3|406932-93-2|77538-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020576 https://doi.org/10.22427/NTP-DATA-DTXSID5020576
ERPathway2016 ERPathway2016_145 17alpha-Ethinylestradiol 57-63-6 DTXSID5020576 Agonist ER Pathway Model, Antagonist AC50 0.00101416222081225 uM [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Ethinylestradiol 57-63-6|17alpha-Ethinylestradiol|(17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol|(17a)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol|(1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|17-alpha-Ethinyl-17-beta-estradiol|17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene|17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol|17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-17-beta-oestradiol|17-alpha-Ethynylestradiol|17-alpha-Ethynylestradiol-17-beta|17-Ethinyl-3,17-estradiol|17-Ethinyl-3,17-oestradiol|17-Ethinylestradiol|17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene|17-Ethynylestra-1,3,5(10)-triene-3,17b-diol|17-Ethynylestradiol|17-Ethynylestradiol ram|17-Ethynyloestradiol|17-Nor-17a-pregna-1,3,5-(10)-trien-20-yne-3,17-diol|17a-|1050678-65-3|406932-93-2|77538-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020576 https://doi.org/10.22427/NTP-DATA-DTXSID5020576
ERPathway2016 ERPathway2016_145 17alpha-Ethinylestradiol 57-63-6 DTXSID5020576 Agonist ER Pathway Model, Antagonist ACC 0.000524643424922395 uM [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Ethinylestradiol 57-63-6|17alpha-Ethinylestradiol|(17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol|(17a)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol|(1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|17-alpha-Ethinyl-17-beta-estradiol|17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene|17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol|17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-17-beta-oestradiol|17-alpha-Ethynylestradiol|17-alpha-Ethynylestradiol-17-beta|17-Ethinyl-3,17-estradiol|17-Ethinyl-3,17-oestradiol|17-Ethinylestradiol|17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene|17-Ethynylestra-1,3,5(10)-triene-3,17b-diol|17-Ethynylestradiol|17-Ethynylestradiol ram|17-Ethynyloestradiol|17-Nor-17a-pregna-1,3,5-(10)-trien-20-yne-3,17-diol|17a-|1050678-65-3|406932-93-2|77538-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020576 https://doi.org/10.22427/NTP-DATA-DTXSID5020576
ERPathway2016 ERPathway2016_145 17alpha-Ethinylestradiol 57-63-6 DTXSID5020576 Agonist ER Pathway Model, Agonist Model Score 1 Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Ethinylestradiol 57-63-6|17alpha-Ethinylestradiol|(17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol|(17a)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol|(1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|17-alpha-Ethinyl-17-beta-estradiol|17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene|17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol|17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-17-beta-oestradiol|17-alpha-Ethynylestradiol|17-alpha-Ethynylestradiol-17-beta|17-Ethinyl-3,17-estradiol|17-Ethinyl-3,17-oestradiol|17-Ethinylestradiol|17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene|17-Ethynylestra-1,3,5(10)-triene-3,17b-diol|17-Ethynylestradiol|17-Ethynylestradiol ram|17-Ethynyloestradiol|17-Nor-17a-pregna-1,3,5-(10)-trien-20-yne-3,17-diol|17a-|1050678-65-3|406932-93-2|77538-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020576 https://doi.org/10.22427/NTP-DATA-DTXSID5020576
ERPathway2016 ERPathway2016_145 17alpha-Ethinylestradiol 57-63-6 DTXSID5020576 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Ethinylestradiol 57-63-6|17alpha-Ethinylestradiol|(17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol|(17a)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol|(1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|17-alpha-Ethinyl-17-beta-estradiol|17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene|17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol|17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-17-beta-oestradiol|17-alpha-Ethynylestradiol|17-alpha-Ethynylestradiol-17-beta|17-Ethinyl-3,17-estradiol|17-Ethinyl-3,17-oestradiol|17-Ethinylestradiol|17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene|17-Ethynylestra-1,3,5(10)-triene-3,17b-diol|17-Ethynylestradiol|17-Ethynylestradiol ram|17-Ethynyloestradiol|17-Nor-17a-pregna-1,3,5-(10)-trien-20-yne-3,17-diol|17a-|1050678-65-3|406932-93-2|77538-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020576 https://doi.org/10.22427/NTP-DATA-DTXSID5020576
ERPathway2016 ERPathway2016_145 17alpha-Ethinylestradiol 57-63-6 DTXSID5020576 Agonist ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Ethinylestradiol 57-63-6|17alpha-Ethinylestradiol|(17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol|(17a)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol|(1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|17-alpha-Ethinyl-17-beta-estradiol|17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene|17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol|17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-17-beta-oestradiol|17-alpha-Ethynylestradiol|17-alpha-Ethynylestradiol-17-beta|17-Ethinyl-3,17-estradiol|17-Ethinyl-3,17-oestradiol|17-Ethinylestradiol|17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene|17-Ethynylestra-1,3,5(10)-triene-3,17b-diol|17-Ethynylestradiol|17-Ethynylestradiol ram|17-Ethynyloestradiol|17-Nor-17a-pregna-1,3,5-(10)-trien-20-yne-3,17-diol|17a-|1050678-65-3|406932-93-2|77538-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020576 https://doi.org/10.22427/NTP-DATA-DTXSID5020576
ERPathway2016 ERPathway2016_145 17alpha-Ethinylestradiol 57-63-6 DTXSID5020576 Agonist ER Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 17alpha-Ethinylestradiol 57-63-6|17alpha-Ethinylestradiol|(17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol|(17a)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol|(1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|17-alpha-Ethinyl-17-beta-estradiol|17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene|17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol|17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol|17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-beta-diol|17-alpha-Ethynyl-17-beta-oestradiol|17-alpha-Ethynylestradiol|17-alpha-Ethynylestradiol-17-beta|17-Ethinyl-3,17-estradiol|17-Ethinyl-3,17-oestradiol|17-Ethinylestradiol|17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene|17-Ethynylestra-1,3,5(10)-triene-3,17b-diol|17-Ethynylestradiol|17-Ethynylestradiol ram|17-Ethynyloestradiol|17-Nor-17a-pregna-1,3,5-(10)-trien-20-yne-3,17-diol|17a-|1050678-65-3|406932-93-2|77538-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020576 https://doi.org/10.22427/NTP-DATA-DTXSID5020576
ARPathway2016 ARPathway2016_381 17alpha-Hydroxyprogesterone 68-96-2 DTXSID6040747 1.0 Agonist AR Pathway Model, Antagonist AC50 0.950591505 uM CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 17alpha-Hydroxyprogesterone 68-96-2|17alpha-Hydroxyprogesterone|(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|(8R,9S,10R,13S,14S,17R)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|17-alpha-Hydroxyprogesterone|17-Hydroxypregn-4-en-3,20-dione|17-Hydroxypregn-4-ene-3,20-dione|17-Hydroxyprogesterone|17-OH Progesterone|17-OHP|17a-Hydroxypregn-4-ene-3,20-dione|17alpha-Hydroxy-4-pregnene-3,20-dione|17alpha-Hydroxy-P4|17alpha-Hydroxylutin|17alpha-Hydroxypregn-4-ene-3,20-dione|17a-Hydroxyprogesterone|4-08-00-02189|alpha Hydroxy progesterone|BRN 2062088|D4-Pregnen-17a-ol-3,20-dione|delta(4)-Pregnene-17alpha-ol-3,20-dione|delta4 -Pregnen-17alpha-ol-3,20-dione|EINECS 200-699-4|Gestageno|Gestageno Gador|hidroxiprogesterona|Hydroxyprogesteron|Hydroxyprogesterone|Hydroxyprogesteronum|Idrossiprogesterone|NSC 15468|Oxiprogesteronum|Pregn-4-e|1050677-68-3|67085-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040747
ARPathway2016 ARPathway2016_381 17alpha-Hydroxyprogesterone 68-96-2 DTXSID6040747 1.0 Agonist AR Pathway Model, Antagonist ACC 1.86021468 uM CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 17alpha-Hydroxyprogesterone 68-96-2|17alpha-Hydroxyprogesterone|(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|(8R,9S,10R,13S,14S,17R)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|17-alpha-Hydroxyprogesterone|17-Hydroxypregn-4-en-3,20-dione|17-Hydroxypregn-4-ene-3,20-dione|17-Hydroxyprogesterone|17-OH Progesterone|17-OHP|17a-Hydroxypregn-4-ene-3,20-dione|17alpha-Hydroxy-4-pregnene-3,20-dione|17alpha-Hydroxy-P4|17alpha-Hydroxylutin|17alpha-Hydroxypregn-4-ene-3,20-dione|17a-Hydroxyprogesterone|4-08-00-02189|alpha Hydroxy progesterone|BRN 2062088|D4-Pregnen-17a-ol-3,20-dione|delta(4)-Pregnene-17alpha-ol-3,20-dione|delta4 -Pregnen-17alpha-ol-3,20-dione|EINECS 200-699-4|Gestageno|Gestageno Gador|hidroxiprogesterona|Hydroxyprogesteron|Hydroxyprogesterone|Hydroxyprogesteronum|Idrossiprogesterone|NSC 15468|Oxiprogesteronum|Pregn-4-e|1050677-68-3|67085-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040747
ARPathway2016 ARPathway2016_381 17alpha-Hydroxyprogesterone 68-96-2 DTXSID6040747 1.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 17alpha-Hydroxyprogesterone 68-96-2|17alpha-Hydroxyprogesterone|(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|(8R,9S,10R,13S,14S,17R)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|17-alpha-Hydroxyprogesterone|17-Hydroxypregn-4-en-3,20-dione|17-Hydroxypregn-4-ene-3,20-dione|17-Hydroxyprogesterone|17-OH Progesterone|17-OHP|17a-Hydroxypregn-4-ene-3,20-dione|17alpha-Hydroxy-4-pregnene-3,20-dione|17alpha-Hydroxy-P4|17alpha-Hydroxylutin|17alpha-Hydroxypregn-4-ene-3,20-dione|17a-Hydroxyprogesterone|4-08-00-02189|alpha Hydroxy progesterone|BRN 2062088|D4-Pregnen-17a-ol-3,20-dione|delta(4)-Pregnene-17alpha-ol-3,20-dione|delta4 -Pregnen-17alpha-ol-3,20-dione|EINECS 200-699-4|Gestageno|Gestageno Gador|hidroxiprogesterona|Hydroxyprogesteron|Hydroxyprogesterone|Hydroxyprogesteronum|Idrossiprogesterone|NSC 15468|Oxiprogesteronum|Pregn-4-e|1050677-68-3|67085-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040747
ARPathway2016 ARPathway2016_381 17alpha-Hydroxyprogesterone 68-96-2 DTXSID6040747 1.0 Agonist AR Pathway Model, Agonist Model Score 0.941 Unitless CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 17alpha-Hydroxyprogesterone 68-96-2|17alpha-Hydroxyprogesterone|(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|(8R,9S,10R,13S,14S,17R)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|17-alpha-Hydroxyprogesterone|17-Hydroxypregn-4-en-3,20-dione|17-Hydroxypregn-4-ene-3,20-dione|17-Hydroxyprogesterone|17-OH Progesterone|17-OHP|17a-Hydroxypregn-4-ene-3,20-dione|17alpha-Hydroxy-4-pregnene-3,20-dione|17alpha-Hydroxy-P4|17alpha-Hydroxylutin|17alpha-Hydroxypregn-4-ene-3,20-dione|17a-Hydroxyprogesterone|4-08-00-02189|alpha Hydroxy progesterone|BRN 2062088|D4-Pregnen-17a-ol-3,20-dione|delta(4)-Pregnene-17alpha-ol-3,20-dione|delta4 -Pregnen-17alpha-ol-3,20-dione|EINECS 200-699-4|Gestageno|Gestageno Gador|hidroxiprogesterona|Hydroxyprogesteron|Hydroxyprogesterone|Hydroxyprogesteronum|Idrossiprogesterone|NSC 15468|Oxiprogesteronum|Pregn-4-e|1050677-68-3|67085-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040747
ARPathway2016 ARPathway2016_381 17alpha-Hydroxyprogesterone 68-96-2 DTXSID6040747 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 17alpha-Hydroxyprogesterone 68-96-2|17alpha-Hydroxyprogesterone|(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|(8R,9S,10R,13S,14S,17R)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|17-alpha-Hydroxyprogesterone|17-Hydroxypregn-4-en-3,20-dione|17-Hydroxypregn-4-ene-3,20-dione|17-Hydroxyprogesterone|17-OH Progesterone|17-OHP|17a-Hydroxypregn-4-ene-3,20-dione|17alpha-Hydroxy-4-pregnene-3,20-dione|17alpha-Hydroxy-P4|17alpha-Hydroxylutin|17alpha-Hydroxypregn-4-ene-3,20-dione|17a-Hydroxyprogesterone|4-08-00-02189|alpha Hydroxy progesterone|BRN 2062088|D4-Pregnen-17a-ol-3,20-dione|delta(4)-Pregnene-17alpha-ol-3,20-dione|delta4 -Pregnen-17alpha-ol-3,20-dione|EINECS 200-699-4|Gestageno|Gestageno Gador|hidroxiprogesterona|Hydroxyprogesteron|Hydroxyprogesterone|Hydroxyprogesteronum|Idrossiprogesterone|NSC 15468|Oxiprogesteronum|Pregn-4-e|1050677-68-3|67085-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040747
ARPathway2016 ARPathway2016_381 17alpha-Hydroxyprogesterone 68-96-2 DTXSID6040747 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 17alpha-Hydroxyprogesterone 68-96-2|17alpha-Hydroxyprogesterone|(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|(8R,9S,10R,13S,14S,17R)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|17-alpha-Hydroxyprogesterone|17-Hydroxypregn-4-en-3,20-dione|17-Hydroxypregn-4-ene-3,20-dione|17-Hydroxyprogesterone|17-OH Progesterone|17-OHP|17a-Hydroxypregn-4-ene-3,20-dione|17alpha-Hydroxy-4-pregnene-3,20-dione|17alpha-Hydroxy-P4|17alpha-Hydroxylutin|17alpha-Hydroxypregn-4-ene-3,20-dione|17a-Hydroxyprogesterone|4-08-00-02189|alpha Hydroxy progesterone|BRN 2062088|D4-Pregnen-17a-ol-3,20-dione|delta(4)-Pregnene-17alpha-ol-3,20-dione|delta4 -Pregnen-17alpha-ol-3,20-dione|EINECS 200-699-4|Gestageno|Gestageno Gador|hidroxiprogesterona|Hydroxyprogesteron|Hydroxyprogesterone|Hydroxyprogesteronum|Idrossiprogesterone|NSC 15468|Oxiprogesteronum|Pregn-4-e|1050677-68-3|67085-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040747
ERPathway2016 ERPathway2016_178 17alpha-Hydroxyprogesterone 68-96-2 DTXSID6040747 Agonist ER Pathway Model, Antagonist AC50 0.364958146197326 uM CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 17alpha-Hydroxyprogesterone 68-96-2|17alpha-Hydroxyprogesterone|(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|(8R,9S,10R,13S,14S,17R)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|17-alpha-Hydroxyprogesterone|17-Hydroxypregn-4-en-3,20-dione|17-Hydroxypregn-4-ene-3,20-dione|17-Hydroxyprogesterone|17-OH Progesterone|17-OHP|17a-Hydroxypregn-4-ene-3,20-dione|17alpha-Hydroxy-4-pregnene-3,20-dione|17alpha-Hydroxy-P4|17alpha-Hydroxylutin|17alpha-Hydroxypregn-4-ene-3,20-dione|17a-Hydroxyprogesterone|4-08-00-02189|alpha Hydroxy progesterone|BRN 2062088|D4-Pregnen-17a-ol-3,20-dione|delta(4)-Pregnene-17alpha-ol-3,20-dione|delta4 -Pregnen-17alpha-ol-3,20-dione|EINECS 200-699-4|Gestageno|Gestageno Gador|hidroxiprogesterona|Hydroxyprogesteron|Hydroxyprogesterone|Hydroxyprogesteronum|Idrossiprogesterone|NSC 15468|Oxiprogesteronum|Pregn-4-e|1050677-68-3|67085-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040747
ERPathway2016 ERPathway2016_178 17alpha-Hydroxyprogesterone 68-96-2 DTXSID6040747 Agonist ER Pathway Model, Antagonist ACC 0.0852706018553114 uM CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 17alpha-Hydroxyprogesterone 68-96-2|17alpha-Hydroxyprogesterone|(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|(8R,9S,10R,13S,14S,17R)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|17-alpha-Hydroxyprogesterone|17-Hydroxypregn-4-en-3,20-dione|17-Hydroxypregn-4-ene-3,20-dione|17-Hydroxyprogesterone|17-OH Progesterone|17-OHP|17a-Hydroxypregn-4-ene-3,20-dione|17alpha-Hydroxy-4-pregnene-3,20-dione|17alpha-Hydroxy-P4|17alpha-Hydroxylutin|17alpha-Hydroxypregn-4-ene-3,20-dione|17a-Hydroxyprogesterone|4-08-00-02189|alpha Hydroxy progesterone|BRN 2062088|D4-Pregnen-17a-ol-3,20-dione|delta(4)-Pregnene-17alpha-ol-3,20-dione|delta4 -Pregnen-17alpha-ol-3,20-dione|EINECS 200-699-4|Gestageno|Gestageno Gador|hidroxiprogesterona|Hydroxyprogesteron|Hydroxyprogesterone|Hydroxyprogesteronum|Idrossiprogesterone|NSC 15468|Oxiprogesteronum|Pregn-4-e|1050677-68-3|67085-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040747
ERPathway2016 ERPathway2016_178 17alpha-Hydroxyprogesterone 68-96-2 DTXSID6040747 Agonist ER Pathway Model, Agonist Model Score 0.343 Unitless CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 17alpha-Hydroxyprogesterone 68-96-2|17alpha-Hydroxyprogesterone|(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|(8R,9S,10R,13S,14S,17R)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|17-alpha-Hydroxyprogesterone|17-Hydroxypregn-4-en-3,20-dione|17-Hydroxypregn-4-ene-3,20-dione|17-Hydroxyprogesterone|17-OH Progesterone|17-OHP|17a-Hydroxypregn-4-ene-3,20-dione|17alpha-Hydroxy-4-pregnene-3,20-dione|17alpha-Hydroxy-P4|17alpha-Hydroxylutin|17alpha-Hydroxypregn-4-ene-3,20-dione|17a-Hydroxyprogesterone|4-08-00-02189|alpha Hydroxy progesterone|BRN 2062088|D4-Pregnen-17a-ol-3,20-dione|delta(4)-Pregnene-17alpha-ol-3,20-dione|delta4 -Pregnen-17alpha-ol-3,20-dione|EINECS 200-699-4|Gestageno|Gestageno Gador|hidroxiprogesterona|Hydroxyprogesteron|Hydroxyprogesterone|Hydroxyprogesteronum|Idrossiprogesterone|NSC 15468|Oxiprogesteronum|Pregn-4-e|1050677-68-3|67085-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040747
ERPathway2016 ERPathway2016_178 17alpha-Hydroxyprogesterone 68-96-2 DTXSID6040747 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 17alpha-Hydroxyprogesterone 68-96-2|17alpha-Hydroxyprogesterone|(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|(8R,9S,10R,13S,14S,17R)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|17-alpha-Hydroxyprogesterone|17-Hydroxypregn-4-en-3,20-dione|17-Hydroxypregn-4-ene-3,20-dione|17-Hydroxyprogesterone|17-OH Progesterone|17-OHP|17a-Hydroxypregn-4-ene-3,20-dione|17alpha-Hydroxy-4-pregnene-3,20-dione|17alpha-Hydroxy-P4|17alpha-Hydroxylutin|17alpha-Hydroxypregn-4-ene-3,20-dione|17a-Hydroxyprogesterone|4-08-00-02189|alpha Hydroxy progesterone|BRN 2062088|D4-Pregnen-17a-ol-3,20-dione|delta(4)-Pregnene-17alpha-ol-3,20-dione|delta4 -Pregnen-17alpha-ol-3,20-dione|EINECS 200-699-4|Gestageno|Gestageno Gador|hidroxiprogesterona|Hydroxyprogesteron|Hydroxyprogesterone|Hydroxyprogesteronum|Idrossiprogesterone|NSC 15468|Oxiprogesteronum|Pregn-4-e|1050677-68-3|67085-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040747
ERPathway2016 ERPathway2016_178 17alpha-Hydroxyprogesterone 68-96-2 DTXSID6040747 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 17alpha-Hydroxyprogesterone 68-96-2|17alpha-Hydroxyprogesterone|(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|(8R,9S,10R,13S,14S,17R)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|17-alpha-Hydroxyprogesterone|17-Hydroxypregn-4-en-3,20-dione|17-Hydroxypregn-4-ene-3,20-dione|17-Hydroxyprogesterone|17-OH Progesterone|17-OHP|17a-Hydroxypregn-4-ene-3,20-dione|17alpha-Hydroxy-4-pregnene-3,20-dione|17alpha-Hydroxy-P4|17alpha-Hydroxylutin|17alpha-Hydroxypregn-4-ene-3,20-dione|17a-Hydroxyprogesterone|4-08-00-02189|alpha Hydroxy progesterone|BRN 2062088|D4-Pregnen-17a-ol-3,20-dione|delta(4)-Pregnene-17alpha-ol-3,20-dione|delta4 -Pregnen-17alpha-ol-3,20-dione|EINECS 200-699-4|Gestageno|Gestageno Gador|hidroxiprogesterona|Hydroxyprogesteron|Hydroxyprogesterone|Hydroxyprogesteronum|Idrossiprogesterone|NSC 15468|Oxiprogesteronum|Pregn-4-e|1050677-68-3|67085-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040747
ERPathway2016 ERPathway2016_178 17alpha-Hydroxyprogesterone 68-96-2 DTXSID6040747 Agonist ER Pathway Model, Antagonist Call Active Unitless CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 17alpha-Hydroxyprogesterone 68-96-2|17alpha-Hydroxyprogesterone|(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|(8R,9S,10R,13S,14S,17R)-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|17-alpha-Hydroxyprogesterone|17-Hydroxypregn-4-en-3,20-dione|17-Hydroxypregn-4-ene-3,20-dione|17-Hydroxyprogesterone|17-OH Progesterone|17-OHP|17a-Hydroxypregn-4-ene-3,20-dione|17alpha-Hydroxy-4-pregnene-3,20-dione|17alpha-Hydroxy-P4|17alpha-Hydroxylutin|17alpha-Hydroxypregn-4-ene-3,20-dione|17a-Hydroxyprogesterone|4-08-00-02189|alpha Hydroxy progesterone|BRN 2062088|D4-Pregnen-17a-ol-3,20-dione|delta(4)-Pregnene-17alpha-ol-3,20-dione|delta4 -Pregnen-17alpha-ol-3,20-dione|EINECS 200-699-4|Gestageno|Gestageno Gador|hidroxiprogesterona|Hydroxyprogesteron|Hydroxyprogesterone|Hydroxyprogesteronum|Idrossiprogesterone|NSC 15468|Oxiprogesteronum|Pregn-4-e|1050677-68-3|67085-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040747
ARPathway2016 ARPathway2016_365 17beta-Estradiol 50-28-2 DTXSID0020573 2.0 Agonist AR Pathway Model, Antagonist ACC 0.0126850623398566 uM [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H] 17beta-Estradiol 50-28-2|17beta-Estradiol|(+)-3,17b-Estradiol|(+)-3,17b-Estradiol|(17beta)-estra-1,3,5(10)-triene-3,17-diol|(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol|1,3,5-Estratriene-3,17-beta-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|17-beta-Estra-1,3,5(10)-triene-3,17-diol|17-beta-Oestra-1,3,5(10)-triene-3,17-diol|17-beta-OH-estradiol|17-beta-OH-oestradiol|17b-Estradiol|17b-Oestradiol|17beta oestradiol|17beta-estra-1,3,5(10)-triene-3,17-diol|17beta-estradiol|17beta-Oestra-1,3,5(10)-triene-3,17-diol|17beta-oestradiol|17b-Estradiol|17b-Oestradiol|3,17-beta-Dihydroxy-1,3,5(10)-oestratriene|3,17-beta-Dihydroxyestra-1,3,5(10)-triene|3,17-beta-Dihydroxyoestra-1,3,5-triene|3,17-beta-Estradiol|3,17-beta-Oestradiol|3,17-Epidihydroxyestratriene|3,17-Epidihydroxyoestratriene|3,17b-Dihydroxyestra-1,3,5(10)-triene|3,17b-Estradiol|3,17beta-Dihydroxyestra-1,3,5-tri|1050677-52-5|1206475-11-7|873662-39-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020573 https://doi.org/10.22427/NTP-DATA-DTXSID0020573
ARPathway2016 ARPathway2016_365 17beta-Estradiol 50-28-2 DTXSID0020573 2.0 Agonist AR Pathway Model, Antagonist AC50 0.0391052348934549 uM [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H] 17beta-Estradiol 50-28-2|17beta-Estradiol|(+)-3,17b-Estradiol|(+)-3,17b-Estradiol|(17beta)-estra-1,3,5(10)-triene-3,17-diol|(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol|1,3,5-Estratriene-3,17-beta-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|17-beta-Estra-1,3,5(10)-triene-3,17-diol|17-beta-Oestra-1,3,5(10)-triene-3,17-diol|17-beta-OH-estradiol|17-beta-OH-oestradiol|17b-Estradiol|17b-Oestradiol|17beta oestradiol|17beta-estra-1,3,5(10)-triene-3,17-diol|17beta-estradiol|17beta-Oestra-1,3,5(10)-triene-3,17-diol|17beta-oestradiol|17b-Estradiol|17b-Oestradiol|3,17-beta-Dihydroxy-1,3,5(10)-oestratriene|3,17-beta-Dihydroxyestra-1,3,5(10)-triene|3,17-beta-Dihydroxyoestra-1,3,5-triene|3,17-beta-Estradiol|3,17-beta-Oestradiol|3,17-Epidihydroxyestratriene|3,17-Epidihydroxyoestratriene|3,17b-Dihydroxyestra-1,3,5(10)-triene|3,17b-Estradiol|3,17beta-Dihydroxyestra-1,3,5-tri|1050677-52-5|1206475-11-7|873662-39-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020573 https://doi.org/10.22427/NTP-DATA-DTXSID0020573
ARPathway2016 ARPathway2016_365 17beta-Estradiol 50-28-2 DTXSID0020573 2.0 Agonist AR Pathway Model, Antagonist Model Score 0.0519 Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H] 17beta-Estradiol 50-28-2|17beta-Estradiol|(+)-3,17b-Estradiol|(+)-3,17b-Estradiol|(17beta)-estra-1,3,5(10)-triene-3,17-diol|(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol|1,3,5-Estratriene-3,17-beta-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|17-beta-Estra-1,3,5(10)-triene-3,17-diol|17-beta-Oestra-1,3,5(10)-triene-3,17-diol|17-beta-OH-estradiol|17-beta-OH-oestradiol|17b-Estradiol|17b-Oestradiol|17beta oestradiol|17beta-estra-1,3,5(10)-triene-3,17-diol|17beta-estradiol|17beta-Oestra-1,3,5(10)-triene-3,17-diol|17beta-oestradiol|17b-Estradiol|17b-Oestradiol|3,17-beta-Dihydroxy-1,3,5(10)-oestratriene|3,17-beta-Dihydroxyestra-1,3,5(10)-triene|3,17-beta-Dihydroxyoestra-1,3,5-triene|3,17-beta-Estradiol|3,17-beta-Oestradiol|3,17-Epidihydroxyestratriene|3,17-Epidihydroxyoestratriene|3,17b-Dihydroxyestra-1,3,5(10)-triene|3,17b-Estradiol|3,17beta-Dihydroxyestra-1,3,5-tri|1050677-52-5|1206475-11-7|873662-39-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020573 https://doi.org/10.22427/NTP-DATA-DTXSID0020573
ARPathway2016 ARPathway2016_365 17beta-Estradiol 50-28-2 DTXSID0020573 2.0 Agonist AR Pathway Model, Agonist Model Score 1.25 Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H] 17beta-Estradiol 50-28-2|17beta-Estradiol|(+)-3,17b-Estradiol|(+)-3,17b-Estradiol|(17beta)-estra-1,3,5(10)-triene-3,17-diol|(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol|1,3,5-Estratriene-3,17-beta-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|17-beta-Estra-1,3,5(10)-triene-3,17-diol|17-beta-Oestra-1,3,5(10)-triene-3,17-diol|17-beta-OH-estradiol|17-beta-OH-oestradiol|17b-Estradiol|17b-Oestradiol|17beta oestradiol|17beta-estra-1,3,5(10)-triene-3,17-diol|17beta-estradiol|17beta-Oestra-1,3,5(10)-triene-3,17-diol|17beta-oestradiol|17b-Estradiol|17b-Oestradiol|3,17-beta-Dihydroxy-1,3,5(10)-oestratriene|3,17-beta-Dihydroxyestra-1,3,5(10)-triene|3,17-beta-Dihydroxyoestra-1,3,5-triene|3,17-beta-Estradiol|3,17-beta-Oestradiol|3,17-Epidihydroxyestratriene|3,17-Epidihydroxyoestratriene|3,17b-Dihydroxyestra-1,3,5(10)-triene|3,17b-Estradiol|3,17beta-Dihydroxyestra-1,3,5-tri|1050677-52-5|1206475-11-7|873662-39-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020573 https://doi.org/10.22427/NTP-DATA-DTXSID0020573
ARPathway2016 ARPathway2016_365 17beta-Estradiol 50-28-2 DTXSID0020573 2.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H] 17beta-Estradiol 50-28-2|17beta-Estradiol|(+)-3,17b-Estradiol|(+)-3,17b-Estradiol|(17beta)-estra-1,3,5(10)-triene-3,17-diol|(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol|1,3,5-Estratriene-3,17-beta-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|17-beta-Estra-1,3,5(10)-triene-3,17-diol|17-beta-Oestra-1,3,5(10)-triene-3,17-diol|17-beta-OH-estradiol|17-beta-OH-oestradiol|17b-Estradiol|17b-Oestradiol|17beta oestradiol|17beta-estra-1,3,5(10)-triene-3,17-diol|17beta-estradiol|17beta-Oestra-1,3,5(10)-triene-3,17-diol|17beta-oestradiol|17b-Estradiol|17b-Oestradiol|3,17-beta-Dihydroxy-1,3,5(10)-oestratriene|3,17-beta-Dihydroxyestra-1,3,5(10)-triene|3,17-beta-Dihydroxyoestra-1,3,5-triene|3,17-beta-Estradiol|3,17-beta-Oestradiol|3,17-Epidihydroxyestratriene|3,17-Epidihydroxyoestratriene|3,17b-Dihydroxyestra-1,3,5(10)-triene|3,17b-Estradiol|3,17beta-Dihydroxyestra-1,3,5-tri|1050677-52-5|1206475-11-7|873662-39-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020573 https://doi.org/10.22427/NTP-DATA-DTXSID0020573
ARPathway2016 ARPathway2016_365 17beta-Estradiol 50-28-2 DTXSID0020573 2.0 Agonist AR Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H] 17beta-Estradiol 50-28-2|17beta-Estradiol|(+)-3,17b-Estradiol|(+)-3,17b-Estradiol|(17beta)-estra-1,3,5(10)-triene-3,17-diol|(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol|1,3,5-Estratriene-3,17-beta-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|17-beta-Estra-1,3,5(10)-triene-3,17-diol|17-beta-Oestra-1,3,5(10)-triene-3,17-diol|17-beta-OH-estradiol|17-beta-OH-oestradiol|17b-Estradiol|17b-Oestradiol|17beta oestradiol|17beta-estra-1,3,5(10)-triene-3,17-diol|17beta-estradiol|17beta-Oestra-1,3,5(10)-triene-3,17-diol|17beta-oestradiol|17b-Estradiol|17b-Oestradiol|3,17-beta-Dihydroxy-1,3,5(10)-oestratriene|3,17-beta-Dihydroxyestra-1,3,5(10)-triene|3,17-beta-Dihydroxyoestra-1,3,5-triene|3,17-beta-Estradiol|3,17-beta-Oestradiol|3,17-Epidihydroxyestratriene|3,17-Epidihydroxyoestratriene|3,17b-Dihydroxyestra-1,3,5(10)-triene|3,17b-Estradiol|3,17beta-Dihydroxyestra-1,3,5-tri|1050677-52-5|1206475-11-7|873662-39-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020573 https://doi.org/10.22427/NTP-DATA-DTXSID0020573
ERPathway2016 ERPathway2016_148 17beta-Estradiol 50-28-2 DTXSID0020573 Agonist ER Pathway Model, Antagonist AC50 0.00236103486856901 uM [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H] 17beta-Estradiol 50-28-2|17beta-Estradiol|(+)-3,17b-Estradiol|(+)-3,17b-Estradiol|(17beta)-estra-1,3,5(10)-triene-3,17-diol|(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol|1,3,5-Estratriene-3,17-beta-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|17-beta-Estra-1,3,5(10)-triene-3,17-diol|17-beta-Oestra-1,3,5(10)-triene-3,17-diol|17-beta-OH-estradiol|17-beta-OH-oestradiol|17b-Estradiol|17b-Oestradiol|17beta oestradiol|17beta-estra-1,3,5(10)-triene-3,17-diol|17beta-estradiol|17beta-Oestra-1,3,5(10)-triene-3,17-diol|17beta-oestradiol|17b-Estradiol|17b-Oestradiol|3,17-beta-Dihydroxy-1,3,5(10)-oestratriene|3,17-beta-Dihydroxyestra-1,3,5(10)-triene|3,17-beta-Dihydroxyoestra-1,3,5-triene|3,17-beta-Estradiol|3,17-beta-Oestradiol|3,17-Epidihydroxyestratriene|3,17-Epidihydroxyoestratriene|3,17b-Dihydroxyestra-1,3,5(10)-triene|3,17b-Estradiol|3,17beta-Dihydroxyestra-1,3,5-tri|1050677-52-5|1206475-11-7|873662-39-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020573 https://doi.org/10.22427/NTP-DATA-DTXSID0020573
ERPathway2016 ERPathway2016_148 17beta-Estradiol 50-28-2 DTXSID0020573 Agonist ER Pathway Model, Antagonist ACC 0.00122754796036357 uM [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H] 17beta-Estradiol 50-28-2|17beta-Estradiol|(+)-3,17b-Estradiol|(+)-3,17b-Estradiol|(17beta)-estra-1,3,5(10)-triene-3,17-diol|(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol|1,3,5-Estratriene-3,17-beta-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|17-beta-Estra-1,3,5(10)-triene-3,17-diol|17-beta-Oestra-1,3,5(10)-triene-3,17-diol|17-beta-OH-estradiol|17-beta-OH-oestradiol|17b-Estradiol|17b-Oestradiol|17beta oestradiol|17beta-estra-1,3,5(10)-triene-3,17-diol|17beta-estradiol|17beta-Oestra-1,3,5(10)-triene-3,17-diol|17beta-oestradiol|17b-Estradiol|17b-Oestradiol|3,17-beta-Dihydroxy-1,3,5(10)-oestratriene|3,17-beta-Dihydroxyestra-1,3,5(10)-triene|3,17-beta-Dihydroxyoestra-1,3,5-triene|3,17-beta-Estradiol|3,17-beta-Oestradiol|3,17-Epidihydroxyestratriene|3,17-Epidihydroxyoestratriene|3,17b-Dihydroxyestra-1,3,5(10)-triene|3,17b-Estradiol|3,17beta-Dihydroxyestra-1,3,5-tri|1050677-52-5|1206475-11-7|873662-39-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020573 https://doi.org/10.22427/NTP-DATA-DTXSID0020573
ERPathway2016 ERPathway2016_148 17beta-Estradiol 50-28-2 DTXSID0020573 Agonist ER Pathway Model, Agonist Model Score 0.935 Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H] 17beta-Estradiol 50-28-2|17beta-Estradiol|(+)-3,17b-Estradiol|(+)-3,17b-Estradiol|(17beta)-estra-1,3,5(10)-triene-3,17-diol|(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol|1,3,5-Estratriene-3,17-beta-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|17-beta-Estra-1,3,5(10)-triene-3,17-diol|17-beta-Oestra-1,3,5(10)-triene-3,17-diol|17-beta-OH-estradiol|17-beta-OH-oestradiol|17b-Estradiol|17b-Oestradiol|17beta oestradiol|17beta-estra-1,3,5(10)-triene-3,17-diol|17beta-estradiol|17beta-Oestra-1,3,5(10)-triene-3,17-diol|17beta-oestradiol|17b-Estradiol|17b-Oestradiol|3,17-beta-Dihydroxy-1,3,5(10)-oestratriene|3,17-beta-Dihydroxyestra-1,3,5(10)-triene|3,17-beta-Dihydroxyoestra-1,3,5-triene|3,17-beta-Estradiol|3,17-beta-Oestradiol|3,17-Epidihydroxyestratriene|3,17-Epidihydroxyoestratriene|3,17b-Dihydroxyestra-1,3,5(10)-triene|3,17b-Estradiol|3,17beta-Dihydroxyestra-1,3,5-tri|1050677-52-5|1206475-11-7|873662-39-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020573 https://doi.org/10.22427/NTP-DATA-DTXSID0020573
ERPathway2016 ERPathway2016_148 17beta-Estradiol 50-28-2 DTXSID0020573 Agonist ER Pathway Model, Antagonist Model Score 0.0153 Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H] 17beta-Estradiol 50-28-2|17beta-Estradiol|(+)-3,17b-Estradiol|(+)-3,17b-Estradiol|(17beta)-estra-1,3,5(10)-triene-3,17-diol|(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol|1,3,5-Estratriene-3,17-beta-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|17-beta-Estra-1,3,5(10)-triene-3,17-diol|17-beta-Oestra-1,3,5(10)-triene-3,17-diol|17-beta-OH-estradiol|17-beta-OH-oestradiol|17b-Estradiol|17b-Oestradiol|17beta oestradiol|17beta-estra-1,3,5(10)-triene-3,17-diol|17beta-estradiol|17beta-Oestra-1,3,5(10)-triene-3,17-diol|17beta-oestradiol|17b-Estradiol|17b-Oestradiol|3,17-beta-Dihydroxy-1,3,5(10)-oestratriene|3,17-beta-Dihydroxyestra-1,3,5(10)-triene|3,17-beta-Dihydroxyoestra-1,3,5-triene|3,17-beta-Estradiol|3,17-beta-Oestradiol|3,17-Epidihydroxyestratriene|3,17-Epidihydroxyoestratriene|3,17b-Dihydroxyestra-1,3,5(10)-triene|3,17b-Estradiol|3,17beta-Dihydroxyestra-1,3,5-tri|1050677-52-5|1206475-11-7|873662-39-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020573 https://doi.org/10.22427/NTP-DATA-DTXSID0020573
ERPathway2016 ERPathway2016_148 17beta-Estradiol 50-28-2 DTXSID0020573 Agonist ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H] 17beta-Estradiol 50-28-2|17beta-Estradiol|(+)-3,17b-Estradiol|(+)-3,17b-Estradiol|(17beta)-estra-1,3,5(10)-triene-3,17-diol|(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol|1,3,5-Estratriene-3,17-beta-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|17-beta-Estra-1,3,5(10)-triene-3,17-diol|17-beta-Oestra-1,3,5(10)-triene-3,17-diol|17-beta-OH-estradiol|17-beta-OH-oestradiol|17b-Estradiol|17b-Oestradiol|17beta oestradiol|17beta-estra-1,3,5(10)-triene-3,17-diol|17beta-estradiol|17beta-Oestra-1,3,5(10)-triene-3,17-diol|17beta-oestradiol|17b-Estradiol|17b-Oestradiol|3,17-beta-Dihydroxy-1,3,5(10)-oestratriene|3,17-beta-Dihydroxyestra-1,3,5(10)-triene|3,17-beta-Dihydroxyoestra-1,3,5-triene|3,17-beta-Estradiol|3,17-beta-Oestradiol|3,17-Epidihydroxyestratriene|3,17-Epidihydroxyoestratriene|3,17b-Dihydroxyestra-1,3,5(10)-triene|3,17b-Estradiol|3,17beta-Dihydroxyestra-1,3,5-tri|1050677-52-5|1206475-11-7|873662-39-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020573 https://doi.org/10.22427/NTP-DATA-DTXSID0020573
ERPathway2016 ERPathway2016_148 17beta-Estradiol 50-28-2 DTXSID0020573 Agonist ER Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H] 17beta-Estradiol 50-28-2|17beta-Estradiol|(+)-3,17b-Estradiol|(+)-3,17b-Estradiol|(17beta)-estra-1,3,5(10)-triene-3,17-diol|(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol|(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol|1,3,5-Estratriene-3,17-beta-diol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol|17-beta-Estra-1,3,5(10)-triene-3,17-diol|17-beta-Oestra-1,3,5(10)-triene-3,17-diol|17-beta-OH-estradiol|17-beta-OH-oestradiol|17b-Estradiol|17b-Oestradiol|17beta oestradiol|17beta-estra-1,3,5(10)-triene-3,17-diol|17beta-estradiol|17beta-Oestra-1,3,5(10)-triene-3,17-diol|17beta-oestradiol|17b-Estradiol|17b-Oestradiol|3,17-beta-Dihydroxy-1,3,5(10)-oestratriene|3,17-beta-Dihydroxyestra-1,3,5(10)-triene|3,17-beta-Dihydroxyoestra-1,3,5-triene|3,17-beta-Estradiol|3,17-beta-Oestradiol|3,17-Epidihydroxyestratriene|3,17-Epidihydroxyoestratriene|3,17b-Dihydroxyestra-1,3,5(10)-triene|3,17b-Estradiol|3,17beta-Dihydroxyestra-1,3,5-tri|1050677-52-5|1206475-11-7|873662-39-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020573 https://doi.org/10.22427/NTP-DATA-DTXSID0020573
ARPathway2016 ARPathway2016_344 17beta-Trenbolone 10161-33-8 DTXSID0034192 1.0 Agonist AR Pathway Model, Antagonist AC50 0.001621481 uM [H][C@@]12CC[C@H](O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 17beta-Trenbolone 10161-33-8|17beta-Trenbolone|(+)-Trenbolone|(17beta)-17-Hydroxyestra-4,9,11-trien-3-one|17-beta-Hydroxyestra-4,9,11-trien-3-one|17-beta-Trenbolone|17beta-Hydroxyestra-4,9,11-trien-3-one|9,10,11,12-Dehydro-19-nortestosterone|beta-Trenbolone|BRN 5756203|Estra- 4, 9, 11- trien- 3- one, 17- hydroxy- , (17beta) -|Estra-4,9,11-trien-3-one, 17beta-hydroxy-|Finajet|RU 2341|Trembolona|Trenbolone|Trenbolone (17beta-hydroxyestra-4,9,11-trien-3-one)|Trenbolonum|Trienbolone|UNII-P53R4420TR|34145-12-5|39434-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034192
ARPathway2016 ARPathway2016_344 17beta-Trenbolone 10161-33-8 DTXSID0034192 1.0 Agonist AR Pathway Model, Antagonist ACC 0.000697808 uM [H][C@@]12CC[C@H](O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 17beta-Trenbolone 10161-33-8|17beta-Trenbolone|(+)-Trenbolone|(17beta)-17-Hydroxyestra-4,9,11-trien-3-one|17-beta-Hydroxyestra-4,9,11-trien-3-one|17-beta-Trenbolone|17beta-Hydroxyestra-4,9,11-trien-3-one|9,10,11,12-Dehydro-19-nortestosterone|beta-Trenbolone|BRN 5756203|Estra- 4, 9, 11- trien- 3- one, 17- hydroxy- , (17beta) -|Estra-4,9,11-trien-3-one, 17beta-hydroxy-|Finajet|RU 2341|Trembolona|Trenbolone|Trenbolone (17beta-hydroxyestra-4,9,11-trien-3-one)|Trenbolonum|Trienbolone|UNII-P53R4420TR|34145-12-5|39434-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034192
ARPathway2016 ARPathway2016_344 17beta-Trenbolone 10161-33-8 DTXSID0034192 1.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 17beta-Trenbolone 10161-33-8|17beta-Trenbolone|(+)-Trenbolone|(17beta)-17-Hydroxyestra-4,9,11-trien-3-one|17-beta-Hydroxyestra-4,9,11-trien-3-one|17-beta-Trenbolone|17beta-Hydroxyestra-4,9,11-trien-3-one|9,10,11,12-Dehydro-19-nortestosterone|beta-Trenbolone|BRN 5756203|Estra- 4, 9, 11- trien- 3- one, 17- hydroxy- , (17beta) -|Estra-4,9,11-trien-3-one, 17beta-hydroxy-|Finajet|RU 2341|Trembolona|Trenbolone|Trenbolone (17beta-hydroxyestra-4,9,11-trien-3-one)|Trenbolonum|Trienbolone|UNII-P53R4420TR|34145-12-5|39434-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034192
ARPathway2016 ARPathway2016_344 17beta-Trenbolone 10161-33-8 DTXSID0034192 1.0 Agonist AR Pathway Model, Agonist Model Score 1.59 Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 17beta-Trenbolone 10161-33-8|17beta-Trenbolone|(+)-Trenbolone|(17beta)-17-Hydroxyestra-4,9,11-trien-3-one|17-beta-Hydroxyestra-4,9,11-trien-3-one|17-beta-Trenbolone|17beta-Hydroxyestra-4,9,11-trien-3-one|9,10,11,12-Dehydro-19-nortestosterone|beta-Trenbolone|BRN 5756203|Estra- 4, 9, 11- trien- 3- one, 17- hydroxy- , (17beta) -|Estra-4,9,11-trien-3-one, 17beta-hydroxy-|Finajet|RU 2341|Trembolona|Trenbolone|Trenbolone (17beta-hydroxyestra-4,9,11-trien-3-one)|Trenbolonum|Trienbolone|UNII-P53R4420TR|34145-12-5|39434-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034192
ARPathway2016 ARPathway2016_344 17beta-Trenbolone 10161-33-8 DTXSID0034192 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 17beta-Trenbolone 10161-33-8|17beta-Trenbolone|(+)-Trenbolone|(17beta)-17-Hydroxyestra-4,9,11-trien-3-one|17-beta-Hydroxyestra-4,9,11-trien-3-one|17-beta-Trenbolone|17beta-Hydroxyestra-4,9,11-trien-3-one|9,10,11,12-Dehydro-19-nortestosterone|beta-Trenbolone|BRN 5756203|Estra- 4, 9, 11- trien- 3- one, 17- hydroxy- , (17beta) -|Estra-4,9,11-trien-3-one, 17beta-hydroxy-|Finajet|RU 2341|Trembolona|Trenbolone|Trenbolone (17beta-hydroxyestra-4,9,11-trien-3-one)|Trenbolonum|Trienbolone|UNII-P53R4420TR|34145-12-5|39434-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034192
ARPathway2016 ARPathway2016_344 17beta-Trenbolone 10161-33-8 DTXSID0034192 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 17beta-Trenbolone 10161-33-8|17beta-Trenbolone|(+)-Trenbolone|(17beta)-17-Hydroxyestra-4,9,11-trien-3-one|17-beta-Hydroxyestra-4,9,11-trien-3-one|17-beta-Trenbolone|17beta-Hydroxyestra-4,9,11-trien-3-one|9,10,11,12-Dehydro-19-nortestosterone|beta-Trenbolone|BRN 5756203|Estra- 4, 9, 11- trien- 3- one, 17- hydroxy- , (17beta) -|Estra-4,9,11-trien-3-one, 17beta-hydroxy-|Finajet|RU 2341|Trembolona|Trenbolone|Trenbolone (17beta-hydroxyestra-4,9,11-trien-3-one)|Trenbolonum|Trienbolone|UNII-P53R4420TR|34145-12-5|39434-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034192
ERPathway2016 ERPathway2016_160 17beta-Trenbolone 10161-33-8 DTXSID0034192 Agonist ER Pathway Model, Antagonist AC50 4.97564614299133 uM [H][C@@]12CC[C@H](O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 17beta-Trenbolone 10161-33-8|17beta-Trenbolone|(+)-Trenbolone|(17beta)-17-Hydroxyestra-4,9,11-trien-3-one|17-beta-Hydroxyestra-4,9,11-trien-3-one|17-beta-Trenbolone|17beta-Hydroxyestra-4,9,11-trien-3-one|9,10,11,12-Dehydro-19-nortestosterone|beta-Trenbolone|BRN 5756203|Estra- 4, 9, 11- trien- 3- one, 17- hydroxy- , (17beta) -|Estra-4,9,11-trien-3-one, 17beta-hydroxy-|Finajet|RU 2341|Trembolona|Trenbolone|Trenbolone (17beta-hydroxyestra-4,9,11-trien-3-one)|Trenbolonum|Trienbolone|UNII-P53R4420TR|34145-12-5|39434-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034192
ERPathway2016 ERPathway2016_160 17beta-Trenbolone 10161-33-8 DTXSID0034192 Agonist ER Pathway Model, Antagonist ACC 1.25071450027413 uM [H][C@@]12CC[C@H](O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 17beta-Trenbolone 10161-33-8|17beta-Trenbolone|(+)-Trenbolone|(17beta)-17-Hydroxyestra-4,9,11-trien-3-one|17-beta-Hydroxyestra-4,9,11-trien-3-one|17-beta-Trenbolone|17beta-Hydroxyestra-4,9,11-trien-3-one|9,10,11,12-Dehydro-19-nortestosterone|beta-Trenbolone|BRN 5756203|Estra- 4, 9, 11- trien- 3- one, 17- hydroxy- , (17beta) -|Estra-4,9,11-trien-3-one, 17beta-hydroxy-|Finajet|RU 2341|Trembolona|Trenbolone|Trenbolone (17beta-hydroxyestra-4,9,11-trien-3-one)|Trenbolonum|Trienbolone|UNII-P53R4420TR|34145-12-5|39434-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034192
ERPathway2016 ERPathway2016_160 17beta-Trenbolone 10161-33-8 DTXSID0034192 Agonist ER Pathway Model, Agonist Model Score 0.475 Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 17beta-Trenbolone 10161-33-8|17beta-Trenbolone|(+)-Trenbolone|(17beta)-17-Hydroxyestra-4,9,11-trien-3-one|17-beta-Hydroxyestra-4,9,11-trien-3-one|17-beta-Trenbolone|17beta-Hydroxyestra-4,9,11-trien-3-one|9,10,11,12-Dehydro-19-nortestosterone|beta-Trenbolone|BRN 5756203|Estra- 4, 9, 11- trien- 3- one, 17- hydroxy- , (17beta) -|Estra-4,9,11-trien-3-one, 17beta-hydroxy-|Finajet|RU 2341|Trembolona|Trenbolone|Trenbolone (17beta-hydroxyestra-4,9,11-trien-3-one)|Trenbolonum|Trienbolone|UNII-P53R4420TR|34145-12-5|39434-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034192
ERPathway2016 ERPathway2016_160 17beta-Trenbolone 10161-33-8 DTXSID0034192 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 17beta-Trenbolone 10161-33-8|17beta-Trenbolone|(+)-Trenbolone|(17beta)-17-Hydroxyestra-4,9,11-trien-3-one|17-beta-Hydroxyestra-4,9,11-trien-3-one|17-beta-Trenbolone|17beta-Hydroxyestra-4,9,11-trien-3-one|9,10,11,12-Dehydro-19-nortestosterone|beta-Trenbolone|BRN 5756203|Estra- 4, 9, 11- trien- 3- one, 17- hydroxy- , (17beta) -|Estra-4,9,11-trien-3-one, 17beta-hydroxy-|Finajet|RU 2341|Trembolona|Trenbolone|Trenbolone (17beta-hydroxyestra-4,9,11-trien-3-one)|Trenbolonum|Trienbolone|UNII-P53R4420TR|34145-12-5|39434-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034192
ERPathway2016 ERPathway2016_160 17beta-Trenbolone 10161-33-8 DTXSID0034192 Agonist ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 17beta-Trenbolone 10161-33-8|17beta-Trenbolone|(+)-Trenbolone|(17beta)-17-Hydroxyestra-4,9,11-trien-3-one|17-beta-Hydroxyestra-4,9,11-trien-3-one|17-beta-Trenbolone|17beta-Hydroxyestra-4,9,11-trien-3-one|9,10,11,12-Dehydro-19-nortestosterone|beta-Trenbolone|BRN 5756203|Estra- 4, 9, 11- trien- 3- one, 17- hydroxy- , (17beta) -|Estra-4,9,11-trien-3-one, 17beta-hydroxy-|Finajet|RU 2341|Trembolona|Trenbolone|Trenbolone (17beta-hydroxyestra-4,9,11-trien-3-one)|Trenbolonum|Trienbolone|UNII-P53R4420TR|34145-12-5|39434-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034192
ERPathway2016 ERPathway2016_160 17beta-Trenbolone 10161-33-8 DTXSID0034192 Agonist ER Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] 17beta-Trenbolone 10161-33-8|17beta-Trenbolone|(+)-Trenbolone|(17beta)-17-Hydroxyestra-4,9,11-trien-3-one|17-beta-Hydroxyestra-4,9,11-trien-3-one|17-beta-Trenbolone|17beta-Hydroxyestra-4,9,11-trien-3-one|9,10,11,12-Dehydro-19-nortestosterone|beta-Trenbolone|BRN 5756203|Estra- 4, 9, 11- trien- 3- one, 17- hydroxy- , (17beta) -|Estra-4,9,11-trien-3-one, 17beta-hydroxy-|Finajet|RU 2341|Trembolona|Trenbolone|Trenbolone (17beta-hydroxyestra-4,9,11-trien-3-one)|Trenbolonum|Trienbolone|UNII-P53R4420TR|34145-12-5|39434-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034192
ARPathway2016 ARPathway2016_375 17-Methyltestosterone 58-18-4 DTXSID1033664 1.0 Agonist AR Pathway Model, Antagonist AC50 0.001484225 uM [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 17-Methyltestosterone 58-18-4|17-Methyltestosterone|(17-beta)-17-Hydroxy-17-methylandrost-4-en-3-one|(17b)-17-Hydroxy-17-methylandrost-4-en-3-one|17-beta-hydroxy-17-methylandrost-4-en-3-one|17-Hydroxy-17-methyl-3-keto-androstene-4|17-Methyltestosteron|17(alpha)-methyl-Delta(4)-androsten-17(beta)-ol-3-one|17(alpha)-Methyl-delta4-androsten-17(beta)-ol-3-one|17(a)-Methyl-D4-androsten-17-(b)-ol-3-one|17alpha-methyl-3-oxo-4-androsten-17beta-ol|17alpha-Methyl-delta-androsten-17beta-ol-3-one|17alpha-methyl-Delta(4)-androsten-17beta-ol-3-one|17alpha-methyltestosterone|17beta-hydroxy-17-methylandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-ene-3-one|17a-Methyl-3-oxo-4-androsten-17b-ol|17a-Methylandrost-4-en-17-ol-3-one|17a-Methylandrost-4-en-17b-ol-3-one|17a-Methyltestosterone|17b-Hydroxy-17-methylandrost-4-en-3-one|17b-Hydroxy-17a-methyl-3-oxoandrost-4-ene|17b-Hydroxy-17a-methylandrost-4-en-3-one|17b-Hydroxy-17a-methylandrost-4-ene-3-one|4-08-00-01010|4-Androstene-17-alpha-methyl-17-beta-ol-3-one|4-andro|1050679-28-1|1300-17-0|31745-24-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033664
ARPathway2016 ARPathway2016_375 17-Methyltestosterone 58-18-4 DTXSID1033664 1.0 Agonist AR Pathway Model, Antagonist ACC 0.000420286 uM [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 17-Methyltestosterone 58-18-4|17-Methyltestosterone|(17-beta)-17-Hydroxy-17-methylandrost-4-en-3-one|(17b)-17-Hydroxy-17-methylandrost-4-en-3-one|17-beta-hydroxy-17-methylandrost-4-en-3-one|17-Hydroxy-17-methyl-3-keto-androstene-4|17-Methyltestosteron|17(alpha)-methyl-Delta(4)-androsten-17(beta)-ol-3-one|17(alpha)-Methyl-delta4-androsten-17(beta)-ol-3-one|17(a)-Methyl-D4-androsten-17-(b)-ol-3-one|17alpha-methyl-3-oxo-4-androsten-17beta-ol|17alpha-Methyl-delta-androsten-17beta-ol-3-one|17alpha-methyl-Delta(4)-androsten-17beta-ol-3-one|17alpha-methyltestosterone|17beta-hydroxy-17-methylandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-ene-3-one|17a-Methyl-3-oxo-4-androsten-17b-ol|17a-Methylandrost-4-en-17-ol-3-one|17a-Methylandrost-4-en-17b-ol-3-one|17a-Methyltestosterone|17b-Hydroxy-17-methylandrost-4-en-3-one|17b-Hydroxy-17a-methyl-3-oxoandrost-4-ene|17b-Hydroxy-17a-methylandrost-4-en-3-one|17b-Hydroxy-17a-methylandrost-4-ene-3-one|4-08-00-01010|4-Androstene-17-alpha-methyl-17-beta-ol-3-one|4-andro|1050679-28-1|1300-17-0|31745-24-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033664
ARPathway2016 ARPathway2016_375 17-Methyltestosterone 58-18-4 DTXSID1033664 1.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 17-Methyltestosterone 58-18-4|17-Methyltestosterone|(17-beta)-17-Hydroxy-17-methylandrost-4-en-3-one|(17b)-17-Hydroxy-17-methylandrost-4-en-3-one|17-beta-hydroxy-17-methylandrost-4-en-3-one|17-Hydroxy-17-methyl-3-keto-androstene-4|17-Methyltestosteron|17(alpha)-methyl-Delta(4)-androsten-17(beta)-ol-3-one|17(alpha)-Methyl-delta4-androsten-17(beta)-ol-3-one|17(a)-Methyl-D4-androsten-17-(b)-ol-3-one|17alpha-methyl-3-oxo-4-androsten-17beta-ol|17alpha-Methyl-delta-androsten-17beta-ol-3-one|17alpha-methyl-Delta(4)-androsten-17beta-ol-3-one|17alpha-methyltestosterone|17beta-hydroxy-17-methylandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-ene-3-one|17a-Methyl-3-oxo-4-androsten-17b-ol|17a-Methylandrost-4-en-17-ol-3-one|17a-Methylandrost-4-en-17b-ol-3-one|17a-Methyltestosterone|17b-Hydroxy-17-methylandrost-4-en-3-one|17b-Hydroxy-17a-methyl-3-oxoandrost-4-ene|17b-Hydroxy-17a-methylandrost-4-en-3-one|17b-Hydroxy-17a-methylandrost-4-ene-3-one|4-08-00-01010|4-Androstene-17-alpha-methyl-17-beta-ol-3-one|4-andro|1050679-28-1|1300-17-0|31745-24-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033664
ARPathway2016 ARPathway2016_375 17-Methyltestosterone 58-18-4 DTXSID1033664 1.0 Agonist AR Pathway Model, Agonist Model Score 1.55 Unitless [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 17-Methyltestosterone 58-18-4|17-Methyltestosterone|(17-beta)-17-Hydroxy-17-methylandrost-4-en-3-one|(17b)-17-Hydroxy-17-methylandrost-4-en-3-one|17-beta-hydroxy-17-methylandrost-4-en-3-one|17-Hydroxy-17-methyl-3-keto-androstene-4|17-Methyltestosteron|17(alpha)-methyl-Delta(4)-androsten-17(beta)-ol-3-one|17(alpha)-Methyl-delta4-androsten-17(beta)-ol-3-one|17(a)-Methyl-D4-androsten-17-(b)-ol-3-one|17alpha-methyl-3-oxo-4-androsten-17beta-ol|17alpha-Methyl-delta-androsten-17beta-ol-3-one|17alpha-methyl-Delta(4)-androsten-17beta-ol-3-one|17alpha-methyltestosterone|17beta-hydroxy-17-methylandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-ene-3-one|17a-Methyl-3-oxo-4-androsten-17b-ol|17a-Methylandrost-4-en-17-ol-3-one|17a-Methylandrost-4-en-17b-ol-3-one|17a-Methyltestosterone|17b-Hydroxy-17-methylandrost-4-en-3-one|17b-Hydroxy-17a-methyl-3-oxoandrost-4-ene|17b-Hydroxy-17a-methylandrost-4-en-3-one|17b-Hydroxy-17a-methylandrost-4-ene-3-one|4-08-00-01010|4-Androstene-17-alpha-methyl-17-beta-ol-3-one|4-andro|1050679-28-1|1300-17-0|31745-24-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033664
ARPathway2016 ARPathway2016_375 17-Methyltestosterone 58-18-4 DTXSID1033664 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 17-Methyltestosterone 58-18-4|17-Methyltestosterone|(17-beta)-17-Hydroxy-17-methylandrost-4-en-3-one|(17b)-17-Hydroxy-17-methylandrost-4-en-3-one|17-beta-hydroxy-17-methylandrost-4-en-3-one|17-Hydroxy-17-methyl-3-keto-androstene-4|17-Methyltestosteron|17(alpha)-methyl-Delta(4)-androsten-17(beta)-ol-3-one|17(alpha)-Methyl-delta4-androsten-17(beta)-ol-3-one|17(a)-Methyl-D4-androsten-17-(b)-ol-3-one|17alpha-methyl-3-oxo-4-androsten-17beta-ol|17alpha-Methyl-delta-androsten-17beta-ol-3-one|17alpha-methyl-Delta(4)-androsten-17beta-ol-3-one|17alpha-methyltestosterone|17beta-hydroxy-17-methylandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-ene-3-one|17a-Methyl-3-oxo-4-androsten-17b-ol|17a-Methylandrost-4-en-17-ol-3-one|17a-Methylandrost-4-en-17b-ol-3-one|17a-Methyltestosterone|17b-Hydroxy-17-methylandrost-4-en-3-one|17b-Hydroxy-17a-methyl-3-oxoandrost-4-ene|17b-Hydroxy-17a-methylandrost-4-en-3-one|17b-Hydroxy-17a-methylandrost-4-ene-3-one|4-08-00-01010|4-Androstene-17-alpha-methyl-17-beta-ol-3-one|4-andro|1050679-28-1|1300-17-0|31745-24-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033664
ARPathway2016 ARPathway2016_375 17-Methyltestosterone 58-18-4 DTXSID1033664 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 17-Methyltestosterone 58-18-4|17-Methyltestosterone|(17-beta)-17-Hydroxy-17-methylandrost-4-en-3-one|(17b)-17-Hydroxy-17-methylandrost-4-en-3-one|17-beta-hydroxy-17-methylandrost-4-en-3-one|17-Hydroxy-17-methyl-3-keto-androstene-4|17-Methyltestosteron|17(alpha)-methyl-Delta(4)-androsten-17(beta)-ol-3-one|17(alpha)-Methyl-delta4-androsten-17(beta)-ol-3-one|17(a)-Methyl-D4-androsten-17-(b)-ol-3-one|17alpha-methyl-3-oxo-4-androsten-17beta-ol|17alpha-Methyl-delta-androsten-17beta-ol-3-one|17alpha-methyl-Delta(4)-androsten-17beta-ol-3-one|17alpha-methyltestosterone|17beta-hydroxy-17-methylandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-ene-3-one|17a-Methyl-3-oxo-4-androsten-17b-ol|17a-Methylandrost-4-en-17-ol-3-one|17a-Methylandrost-4-en-17b-ol-3-one|17a-Methyltestosterone|17b-Hydroxy-17-methylandrost-4-en-3-one|17b-Hydroxy-17a-methyl-3-oxoandrost-4-ene|17b-Hydroxy-17a-methylandrost-4-en-3-one|17b-Hydroxy-17a-methylandrost-4-ene-3-one|4-08-00-01010|4-Androstene-17-alpha-methyl-17-beta-ol-3-one|4-andro|1050679-28-1|1300-17-0|31745-24-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033664
ERPathway2016 ERPathway2016_158 17-Methyltestosterone 58-18-4 DTXSID1033664 Agonist ER Pathway Model, Antagonist AC50 6.76166267231904 uM [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 17-Methyltestosterone 58-18-4|17-Methyltestosterone|(17-beta)-17-Hydroxy-17-methylandrost-4-en-3-one|(17b)-17-Hydroxy-17-methylandrost-4-en-3-one|17-beta-hydroxy-17-methylandrost-4-en-3-one|17-Hydroxy-17-methyl-3-keto-androstene-4|17-Methyltestosteron|17(alpha)-methyl-Delta(4)-androsten-17(beta)-ol-3-one|17(alpha)-Methyl-delta4-androsten-17(beta)-ol-3-one|17(a)-Methyl-D4-androsten-17-(b)-ol-3-one|17alpha-methyl-3-oxo-4-androsten-17beta-ol|17alpha-Methyl-delta-androsten-17beta-ol-3-one|17alpha-methyl-Delta(4)-androsten-17beta-ol-3-one|17alpha-methyltestosterone|17beta-hydroxy-17-methylandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-ene-3-one|17a-Methyl-3-oxo-4-androsten-17b-ol|17a-Methylandrost-4-en-17-ol-3-one|17a-Methylandrost-4-en-17b-ol-3-one|17a-Methyltestosterone|17b-Hydroxy-17-methylandrost-4-en-3-one|17b-Hydroxy-17a-methyl-3-oxoandrost-4-ene|17b-Hydroxy-17a-methylandrost-4-en-3-one|17b-Hydroxy-17a-methylandrost-4-ene-3-one|4-08-00-01010|4-Androstene-17-alpha-methyl-17-beta-ol-3-one|4-andro|1050679-28-1|1300-17-0|31745-24-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033664
ERPathway2016 ERPathway2016_158 17-Methyltestosterone 58-18-4 DTXSID1033664 Agonist ER Pathway Model, Antagonist ACC 3.81993794825178 uM [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 17-Methyltestosterone 58-18-4|17-Methyltestosterone|(17-beta)-17-Hydroxy-17-methylandrost-4-en-3-one|(17b)-17-Hydroxy-17-methylandrost-4-en-3-one|17-beta-hydroxy-17-methylandrost-4-en-3-one|17-Hydroxy-17-methyl-3-keto-androstene-4|17-Methyltestosteron|17(alpha)-methyl-Delta(4)-androsten-17(beta)-ol-3-one|17(alpha)-Methyl-delta4-androsten-17(beta)-ol-3-one|17(a)-Methyl-D4-androsten-17-(b)-ol-3-one|17alpha-methyl-3-oxo-4-androsten-17beta-ol|17alpha-Methyl-delta-androsten-17beta-ol-3-one|17alpha-methyl-Delta(4)-androsten-17beta-ol-3-one|17alpha-methyltestosterone|17beta-hydroxy-17-methylandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-ene-3-one|17a-Methyl-3-oxo-4-androsten-17b-ol|17a-Methylandrost-4-en-17-ol-3-one|17a-Methylandrost-4-en-17b-ol-3-one|17a-Methyltestosterone|17b-Hydroxy-17-methylandrost-4-en-3-one|17b-Hydroxy-17a-methyl-3-oxoandrost-4-ene|17b-Hydroxy-17a-methylandrost-4-en-3-one|17b-Hydroxy-17a-methylandrost-4-ene-3-one|4-08-00-01010|4-Androstene-17-alpha-methyl-17-beta-ol-3-one|4-andro|1050679-28-1|1300-17-0|31745-24-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033664
ERPathway2016 ERPathway2016_158 17-Methyltestosterone 58-18-4 DTXSID1033664 Agonist ER Pathway Model, Agonist Model Score 0.495 Unitless [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 17-Methyltestosterone 58-18-4|17-Methyltestosterone|(17-beta)-17-Hydroxy-17-methylandrost-4-en-3-one|(17b)-17-Hydroxy-17-methylandrost-4-en-3-one|17-beta-hydroxy-17-methylandrost-4-en-3-one|17-Hydroxy-17-methyl-3-keto-androstene-4|17-Methyltestosteron|17(alpha)-methyl-Delta(4)-androsten-17(beta)-ol-3-one|17(alpha)-Methyl-delta4-androsten-17(beta)-ol-3-one|17(a)-Methyl-D4-androsten-17-(b)-ol-3-one|17alpha-methyl-3-oxo-4-androsten-17beta-ol|17alpha-Methyl-delta-androsten-17beta-ol-3-one|17alpha-methyl-Delta(4)-androsten-17beta-ol-3-one|17alpha-methyltestosterone|17beta-hydroxy-17-methylandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-ene-3-one|17a-Methyl-3-oxo-4-androsten-17b-ol|17a-Methylandrost-4-en-17-ol-3-one|17a-Methylandrost-4-en-17b-ol-3-one|17a-Methyltestosterone|17b-Hydroxy-17-methylandrost-4-en-3-one|17b-Hydroxy-17a-methyl-3-oxoandrost-4-ene|17b-Hydroxy-17a-methylandrost-4-en-3-one|17b-Hydroxy-17a-methylandrost-4-ene-3-one|4-08-00-01010|4-Androstene-17-alpha-methyl-17-beta-ol-3-one|4-andro|1050679-28-1|1300-17-0|31745-24-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033664
ERPathway2016 ERPathway2016_158 17-Methyltestosterone 58-18-4 DTXSID1033664 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 17-Methyltestosterone 58-18-4|17-Methyltestosterone|(17-beta)-17-Hydroxy-17-methylandrost-4-en-3-one|(17b)-17-Hydroxy-17-methylandrost-4-en-3-one|17-beta-hydroxy-17-methylandrost-4-en-3-one|17-Hydroxy-17-methyl-3-keto-androstene-4|17-Methyltestosteron|17(alpha)-methyl-Delta(4)-androsten-17(beta)-ol-3-one|17(alpha)-Methyl-delta4-androsten-17(beta)-ol-3-one|17(a)-Methyl-D4-androsten-17-(b)-ol-3-one|17alpha-methyl-3-oxo-4-androsten-17beta-ol|17alpha-Methyl-delta-androsten-17beta-ol-3-one|17alpha-methyl-Delta(4)-androsten-17beta-ol-3-one|17alpha-methyltestosterone|17beta-hydroxy-17-methylandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-ene-3-one|17a-Methyl-3-oxo-4-androsten-17b-ol|17a-Methylandrost-4-en-17-ol-3-one|17a-Methylandrost-4-en-17b-ol-3-one|17a-Methyltestosterone|17b-Hydroxy-17-methylandrost-4-en-3-one|17b-Hydroxy-17a-methyl-3-oxoandrost-4-ene|17b-Hydroxy-17a-methylandrost-4-en-3-one|17b-Hydroxy-17a-methylandrost-4-ene-3-one|4-08-00-01010|4-Androstene-17-alpha-methyl-17-beta-ol-3-one|4-andro|1050679-28-1|1300-17-0|31745-24-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033664
ERPathway2016 ERPathway2016_158 17-Methyltestosterone 58-18-4 DTXSID1033664 Agonist ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 17-Methyltestosterone 58-18-4|17-Methyltestosterone|(17-beta)-17-Hydroxy-17-methylandrost-4-en-3-one|(17b)-17-Hydroxy-17-methylandrost-4-en-3-one|17-beta-hydroxy-17-methylandrost-4-en-3-one|17-Hydroxy-17-methyl-3-keto-androstene-4|17-Methyltestosteron|17(alpha)-methyl-Delta(4)-androsten-17(beta)-ol-3-one|17(alpha)-Methyl-delta4-androsten-17(beta)-ol-3-one|17(a)-Methyl-D4-androsten-17-(b)-ol-3-one|17alpha-methyl-3-oxo-4-androsten-17beta-ol|17alpha-Methyl-delta-androsten-17beta-ol-3-one|17alpha-methyl-Delta(4)-androsten-17beta-ol-3-one|17alpha-methyltestosterone|17beta-hydroxy-17-methylandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-ene-3-one|17a-Methyl-3-oxo-4-androsten-17b-ol|17a-Methylandrost-4-en-17-ol-3-one|17a-Methylandrost-4-en-17b-ol-3-one|17a-Methyltestosterone|17b-Hydroxy-17-methylandrost-4-en-3-one|17b-Hydroxy-17a-methyl-3-oxoandrost-4-ene|17b-Hydroxy-17a-methylandrost-4-en-3-one|17b-Hydroxy-17a-methylandrost-4-ene-3-one|4-08-00-01010|4-Androstene-17-alpha-methyl-17-beta-ol-3-one|4-andro|1050679-28-1|1300-17-0|31745-24-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033664
ERPathway2016 ERPathway2016_158 17-Methyltestosterone 58-18-4 DTXSID1033664 Agonist ER Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 17-Methyltestosterone 58-18-4|17-Methyltestosterone|(17-beta)-17-Hydroxy-17-methylandrost-4-en-3-one|(17b)-17-Hydroxy-17-methylandrost-4-en-3-one|17-beta-hydroxy-17-methylandrost-4-en-3-one|17-Hydroxy-17-methyl-3-keto-androstene-4|17-Methyltestosteron|17(alpha)-methyl-Delta(4)-androsten-17(beta)-ol-3-one|17(alpha)-Methyl-delta4-androsten-17(beta)-ol-3-one|17(a)-Methyl-D4-androsten-17-(b)-ol-3-one|17alpha-methyl-3-oxo-4-androsten-17beta-ol|17alpha-Methyl-delta-androsten-17beta-ol-3-one|17alpha-methyl-Delta(4)-androsten-17beta-ol-3-one|17alpha-methyltestosterone|17beta-hydroxy-17-methylandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-en-3-one|17a-Methyl-17b-hydroxyandrost-4-ene-3-one|17a-Methyl-3-oxo-4-androsten-17b-ol|17a-Methylandrost-4-en-17-ol-3-one|17a-Methylandrost-4-en-17b-ol-3-one|17a-Methyltestosterone|17b-Hydroxy-17-methylandrost-4-en-3-one|17b-Hydroxy-17a-methyl-3-oxoandrost-4-ene|17b-Hydroxy-17a-methylandrost-4-en-3-one|17b-Hydroxy-17a-methylandrost-4-ene-3-one|4-08-00-01010|4-Androstene-17-alpha-methyl-17-beta-ol-3-one|4-andro|1050679-28-1|1300-17-0|31745-24-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033664
ARPathway2016 ARPathway2016_1579 1-Amino-2-propanol 78-96-6 DTXSID9021764 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(O)CN 1-Amino-2-propanol 78-96-6|1-Amino-2-propanol|(.+-.)-1-Amino-2-propanol|(RS)-1-Amino-2-hydroxypropane|(RS)-1-amino-2-propanol|1-Amino-2-Hydroxypropanamine|1-Amino-2-hydroxypropane|1-Aminopropan-2-ol|1-aminopropane-2-ol|1-Methyl-2-aminoethanol|2-Amino-1-methylethanol|2-Hydroxy-1-propanamine|2-Hydroxy-1-propylamine|2-Hydroxypropanamine|2-Hydroxypropylamine|2-Propanol, 1-amino-|201-162-7|4-04-00-01665|alpha-aminoisopropyl alcohol|Aminopropanol|BRN 0605275|DL-1-Amino-2-propanol|EC No.: 201-162-7|EINECS 201-162-7|ISOPROPANOLAMINE|Mipa|MONO ISOPROPANOLAMINE|Mono-iso-propanolamine|Monoisopropanolamine|NSC 3188|PROPAN-2-OL, 1-AMINO-|Threamine|UNII-UE40BY1BZW|a-Aminoisopropyl alcohol|b-Aminoisopropanol|1674-56-2|1790637-35-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021764 https://doi.org/10.22427/NTP-DATA-DTXSID9021764
ARPathway2016 ARPathway2016_1579 1-Amino-2-propanol 78-96-6 DTXSID9021764 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(O)CN 1-Amino-2-propanol 78-96-6|1-Amino-2-propanol|(.+-.)-1-Amino-2-propanol|(RS)-1-Amino-2-hydroxypropane|(RS)-1-amino-2-propanol|1-Amino-2-Hydroxypropanamine|1-Amino-2-hydroxypropane|1-Aminopropan-2-ol|1-aminopropane-2-ol|1-Methyl-2-aminoethanol|2-Amino-1-methylethanol|2-Hydroxy-1-propanamine|2-Hydroxy-1-propylamine|2-Hydroxypropanamine|2-Hydroxypropylamine|2-Propanol, 1-amino-|201-162-7|4-04-00-01665|alpha-aminoisopropyl alcohol|Aminopropanol|BRN 0605275|DL-1-Amino-2-propanol|EC No.: 201-162-7|EINECS 201-162-7|ISOPROPANOLAMINE|Mipa|MONO ISOPROPANOLAMINE|Mono-iso-propanolamine|Monoisopropanolamine|NSC 3188|PROPAN-2-OL, 1-AMINO-|Threamine|UNII-UE40BY1BZW|a-Aminoisopropyl alcohol|b-Aminoisopropanol|1674-56-2|1790637-35-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021764 https://doi.org/10.22427/NTP-DATA-DTXSID9021764
ARPathway2016 ARPathway2016_1579 1-Amino-2-propanol 78-96-6 DTXSID9021764 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(O)CN 1-Amino-2-propanol 78-96-6|1-Amino-2-propanol|(.+-.)-1-Amino-2-propanol|(RS)-1-Amino-2-hydroxypropane|(RS)-1-amino-2-propanol|1-Amino-2-Hydroxypropanamine|1-Amino-2-hydroxypropane|1-Aminopropan-2-ol|1-aminopropane-2-ol|1-Methyl-2-aminoethanol|2-Amino-1-methylethanol|2-Hydroxy-1-propanamine|2-Hydroxy-1-propylamine|2-Hydroxypropanamine|2-Hydroxypropylamine|2-Propanol, 1-amino-|201-162-7|4-04-00-01665|alpha-aminoisopropyl alcohol|Aminopropanol|BRN 0605275|DL-1-Amino-2-propanol|EC No.: 201-162-7|EINECS 201-162-7|ISOPROPANOLAMINE|Mipa|MONO ISOPROPANOLAMINE|Mono-iso-propanolamine|Monoisopropanolamine|NSC 3188|PROPAN-2-OL, 1-AMINO-|Threamine|UNII-UE40BY1BZW|a-Aminoisopropyl alcohol|b-Aminoisopropanol|1674-56-2|1790637-35-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021764 https://doi.org/10.22427/NTP-DATA-DTXSID9021764
ARPathway2016 ARPathway2016_1579 1-Amino-2-propanol 78-96-6 DTXSID9021764 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(O)CN 1-Amino-2-propanol 78-96-6|1-Amino-2-propanol|(.+-.)-1-Amino-2-propanol|(RS)-1-Amino-2-hydroxypropane|(RS)-1-amino-2-propanol|1-Amino-2-Hydroxypropanamine|1-Amino-2-hydroxypropane|1-Aminopropan-2-ol|1-aminopropane-2-ol|1-Methyl-2-aminoethanol|2-Amino-1-methylethanol|2-Hydroxy-1-propanamine|2-Hydroxy-1-propylamine|2-Hydroxypropanamine|2-Hydroxypropylamine|2-Propanol, 1-amino-|201-162-7|4-04-00-01665|alpha-aminoisopropyl alcohol|Aminopropanol|BRN 0605275|DL-1-Amino-2-propanol|EC No.: 201-162-7|EINECS 201-162-7|ISOPROPANOLAMINE|Mipa|MONO ISOPROPANOLAMINE|Mono-iso-propanolamine|Monoisopropanolamine|NSC 3188|PROPAN-2-OL, 1-AMINO-|Threamine|UNII-UE40BY1BZW|a-Aminoisopropyl alcohol|b-Aminoisopropanol|1674-56-2|1790637-35-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021764 https://doi.org/10.22427/NTP-DATA-DTXSID9021764
ERPathway2016 ERPathway2016_1667 1-Amino-2-propanol 78-96-6 DTXSID9021764 ER Pathway Model, Agonist Model Score 0 Unitless CC(O)CN 1-Amino-2-propanol 78-96-6|1-Amino-2-propanol|(.+-.)-1-Amino-2-propanol|(RS)-1-Amino-2-hydroxypropane|(RS)-1-amino-2-propanol|1-Amino-2-Hydroxypropanamine|1-Amino-2-hydroxypropane|1-Aminopropan-2-ol|1-aminopropane-2-ol|1-Methyl-2-aminoethanol|2-Amino-1-methylethanol|2-Hydroxy-1-propanamine|2-Hydroxy-1-propylamine|2-Hydroxypropanamine|2-Hydroxypropylamine|2-Propanol, 1-amino-|201-162-7|4-04-00-01665|alpha-aminoisopropyl alcohol|Aminopropanol|BRN 0605275|DL-1-Amino-2-propanol|EC No.: 201-162-7|EINECS 201-162-7|ISOPROPANOLAMINE|Mipa|MONO ISOPROPANOLAMINE|Mono-iso-propanolamine|Monoisopropanolamine|NSC 3188|PROPAN-2-OL, 1-AMINO-|Threamine|UNII-UE40BY1BZW|a-Aminoisopropyl alcohol|b-Aminoisopropanol|1674-56-2|1790637-35-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021764 https://doi.org/10.22427/NTP-DATA-DTXSID9021764
ERPathway2016 ERPathway2016_1667 1-Amino-2-propanol 78-96-6 DTXSID9021764 ER Pathway Model, Antagonist Model Score 0 Unitless CC(O)CN 1-Amino-2-propanol 78-96-6|1-Amino-2-propanol|(.+-.)-1-Amino-2-propanol|(RS)-1-Amino-2-hydroxypropane|(RS)-1-amino-2-propanol|1-Amino-2-Hydroxypropanamine|1-Amino-2-hydroxypropane|1-Aminopropan-2-ol|1-aminopropane-2-ol|1-Methyl-2-aminoethanol|2-Amino-1-methylethanol|2-Hydroxy-1-propanamine|2-Hydroxy-1-propylamine|2-Hydroxypropanamine|2-Hydroxypropylamine|2-Propanol, 1-amino-|201-162-7|4-04-00-01665|alpha-aminoisopropyl alcohol|Aminopropanol|BRN 0605275|DL-1-Amino-2-propanol|EC No.: 201-162-7|EINECS 201-162-7|ISOPROPANOLAMINE|Mipa|MONO ISOPROPANOLAMINE|Mono-iso-propanolamine|Monoisopropanolamine|NSC 3188|PROPAN-2-OL, 1-AMINO-|Threamine|UNII-UE40BY1BZW|a-Aminoisopropyl alcohol|b-Aminoisopropanol|1674-56-2|1790637-35-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021764 https://doi.org/10.22427/NTP-DATA-DTXSID9021764
ERPathway2016 ERPathway2016_1667 1-Amino-2-propanol 78-96-6 DTXSID9021764 ER Pathway Model, Agonist Call Inactive Unitless CC(O)CN 1-Amino-2-propanol 78-96-6|1-Amino-2-propanol|(.+-.)-1-Amino-2-propanol|(RS)-1-Amino-2-hydroxypropane|(RS)-1-amino-2-propanol|1-Amino-2-Hydroxypropanamine|1-Amino-2-hydroxypropane|1-Aminopropan-2-ol|1-aminopropane-2-ol|1-Methyl-2-aminoethanol|2-Amino-1-methylethanol|2-Hydroxy-1-propanamine|2-Hydroxy-1-propylamine|2-Hydroxypropanamine|2-Hydroxypropylamine|2-Propanol, 1-amino-|201-162-7|4-04-00-01665|alpha-aminoisopropyl alcohol|Aminopropanol|BRN 0605275|DL-1-Amino-2-propanol|EC No.: 201-162-7|EINECS 201-162-7|ISOPROPANOLAMINE|Mipa|MONO ISOPROPANOLAMINE|Mono-iso-propanolamine|Monoisopropanolamine|NSC 3188|PROPAN-2-OL, 1-AMINO-|Threamine|UNII-UE40BY1BZW|a-Aminoisopropyl alcohol|b-Aminoisopropanol|1674-56-2|1790637-35-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021764 https://doi.org/10.22427/NTP-DATA-DTXSID9021764
ERPathway2016 ERPathway2016_1667 1-Amino-2-propanol 78-96-6 DTXSID9021764 ER Pathway Model, Antagonist Call Inactive Unitless CC(O)CN 1-Amino-2-propanol 78-96-6|1-Amino-2-propanol|(.+-.)-1-Amino-2-propanol|(RS)-1-Amino-2-hydroxypropane|(RS)-1-amino-2-propanol|1-Amino-2-Hydroxypropanamine|1-Amino-2-hydroxypropane|1-Aminopropan-2-ol|1-aminopropane-2-ol|1-Methyl-2-aminoethanol|2-Amino-1-methylethanol|2-Hydroxy-1-propanamine|2-Hydroxy-1-propylamine|2-Hydroxypropanamine|2-Hydroxypropylamine|2-Propanol, 1-amino-|201-162-7|4-04-00-01665|alpha-aminoisopropyl alcohol|Aminopropanol|BRN 0605275|DL-1-Amino-2-propanol|EC No.: 201-162-7|EINECS 201-162-7|ISOPROPANOLAMINE|Mipa|MONO ISOPROPANOLAMINE|Mono-iso-propanolamine|Monoisopropanolamine|NSC 3188|PROPAN-2-OL, 1-AMINO-|Threamine|UNII-UE40BY1BZW|a-Aminoisopropyl alcohol|b-Aminoisopropanol|1674-56-2|1790637-35-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021764 https://doi.org/10.22427/NTP-DATA-DTXSID9021764
ARPathway2016 ARPathway2016_896 1-Benzylquinolinium chloride 15619-48-4 DTXSID8044593 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless [Cl-].C(C1=CC=CC=C1)[N+]1=C2C=CC=CC2=CC=C1 1-Benzylquinolinium chloride 15619-48-4|1-Benzylquinolinium chloride|Benzylquinolinium chloride|EINECS 239-695-2|N-Benzylquinolinium chloride|NSC 190376|Quinoline-N-benzyl chloride quaternary|Quinolinium, 1-(phenylmethyl)-, chloride|Quinolinium, 1-(phenylmethyl)-, chloride (1:1)|Quinolinium, 1-benzyl-, chloride https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044593
ARPathway2016 ARPathway2016_896 1-Benzylquinolinium chloride 15619-48-4 DTXSID8044593 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless [Cl-].C(C1=CC=CC=C1)[N+]1=C2C=CC=CC2=CC=C1 1-Benzylquinolinium chloride 15619-48-4|1-Benzylquinolinium chloride|Benzylquinolinium chloride|EINECS 239-695-2|N-Benzylquinolinium chloride|NSC 190376|Quinoline-N-benzyl chloride quaternary|Quinolinium, 1-(phenylmethyl)-, chloride|Quinolinium, 1-(phenylmethyl)-, chloride (1:1)|Quinolinium, 1-benzyl-, chloride https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044593
ARPathway2016 ARPathway2016_896 1-Benzylquinolinium chloride 15619-48-4 DTXSID8044593 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless [Cl-].C(C1=CC=CC=C1)[N+]1=C2C=CC=CC2=CC=C1 1-Benzylquinolinium chloride 15619-48-4|1-Benzylquinolinium chloride|Benzylquinolinium chloride|EINECS 239-695-2|N-Benzylquinolinium chloride|NSC 190376|Quinoline-N-benzyl chloride quaternary|Quinolinium, 1-(phenylmethyl)-, chloride|Quinolinium, 1-(phenylmethyl)-, chloride (1:1)|Quinolinium, 1-benzyl-, chloride https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044593
ARPathway2016 ARPathway2016_896 1-Benzylquinolinium chloride 15619-48-4 DTXSID8044593 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].C(C1=CC=CC=C1)[N+]1=C2C=CC=CC2=CC=C1 1-Benzylquinolinium chloride 15619-48-4|1-Benzylquinolinium chloride|Benzylquinolinium chloride|EINECS 239-695-2|N-Benzylquinolinium chloride|NSC 190376|Quinoline-N-benzyl chloride quaternary|Quinolinium, 1-(phenylmethyl)-, chloride|Quinolinium, 1-(phenylmethyl)-, chloride (1:1)|Quinolinium, 1-benzyl-, chloride https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044593
ARPathway2016 ARPathway2016_908 1-Bromo-3-chloro-5,5-dimethylhydantoin 16079-88-2 DTXSID3032591 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)N(Br)C(=O)N(Cl)C1=O 1-Bromo-3-chloro-5,5-dimethylhydantoin 16079-88-2|1-Bromo-3-chloro-5,5-dimethylhydantoin|1-Bromo-3-chloro-5,5-dimethyl-2,4-imidazolidinedione|2,4-Imidazolidinedione, 1-bromo-3-chloro-5,5-dimethyl-|Agribrom|Aquabrom|Aquabrome|BCDMH|BromiCide|Bromochloro-5,5-dimethylhydantoin|Caswell No. 114A|Di-Halo|Ebasani 4400|EINECS 240-230-0|EPA Pesticide Chemical Code 006315|Halogene T 30|Hydantoin, 1-bromo-3-chloro-5,5-dimethyl-|N-Bromo-N'-chloro-5,5-dimethylhydantoin|N-Monobromo-N-monochloro-5,5-dimethylhydantoin|Nylate|Photobrome|Slimicide 78P|Slimicide C 77P|UNII-W18O2G87ND https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032591
ARPathway2016 ARPathway2016_908 1-Bromo-3-chloro-5,5-dimethylhydantoin 16079-88-2 DTXSID3032591 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)N(Br)C(=O)N(Cl)C1=O 1-Bromo-3-chloro-5,5-dimethylhydantoin 16079-88-2|1-Bromo-3-chloro-5,5-dimethylhydantoin|1-Bromo-3-chloro-5,5-dimethyl-2,4-imidazolidinedione|2,4-Imidazolidinedione, 1-bromo-3-chloro-5,5-dimethyl-|Agribrom|Aquabrom|Aquabrome|BCDMH|BromiCide|Bromochloro-5,5-dimethylhydantoin|Caswell No. 114A|Di-Halo|Ebasani 4400|EINECS 240-230-0|EPA Pesticide Chemical Code 006315|Halogene T 30|Hydantoin, 1-bromo-3-chloro-5,5-dimethyl-|N-Bromo-N'-chloro-5,5-dimethylhydantoin|N-Monobromo-N-monochloro-5,5-dimethylhydantoin|Nylate|Photobrome|Slimicide 78P|Slimicide C 77P|UNII-W18O2G87ND https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032591
ARPathway2016 ARPathway2016_908 1-Bromo-3-chloro-5,5-dimethylhydantoin 16079-88-2 DTXSID3032591 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)N(Br)C(=O)N(Cl)C1=O 1-Bromo-3-chloro-5,5-dimethylhydantoin 16079-88-2|1-Bromo-3-chloro-5,5-dimethylhydantoin|1-Bromo-3-chloro-5,5-dimethyl-2,4-imidazolidinedione|2,4-Imidazolidinedione, 1-bromo-3-chloro-5,5-dimethyl-|Agribrom|Aquabrom|Aquabrome|BCDMH|BromiCide|Bromochloro-5,5-dimethylhydantoin|Caswell No. 114A|Di-Halo|Ebasani 4400|EINECS 240-230-0|EPA Pesticide Chemical Code 006315|Halogene T 30|Hydantoin, 1-bromo-3-chloro-5,5-dimethyl-|N-Bromo-N'-chloro-5,5-dimethylhydantoin|N-Monobromo-N-monochloro-5,5-dimethylhydantoin|Nylate|Photobrome|Slimicide 78P|Slimicide C 77P|UNII-W18O2G87ND https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032591
ARPathway2016 ARPathway2016_908 1-Bromo-3-chloro-5,5-dimethylhydantoin 16079-88-2 DTXSID3032591 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)N(Br)C(=O)N(Cl)C1=O 1-Bromo-3-chloro-5,5-dimethylhydantoin 16079-88-2|1-Bromo-3-chloro-5,5-dimethylhydantoin|1-Bromo-3-chloro-5,5-dimethyl-2,4-imidazolidinedione|2,4-Imidazolidinedione, 1-bromo-3-chloro-5,5-dimethyl-|Agribrom|Aquabrom|Aquabrome|BCDMH|BromiCide|Bromochloro-5,5-dimethylhydantoin|Caswell No. 114A|Di-Halo|Ebasani 4400|EINECS 240-230-0|EPA Pesticide Chemical Code 006315|Halogene T 30|Hydantoin, 1-bromo-3-chloro-5,5-dimethyl-|N-Bromo-N'-chloro-5,5-dimethylhydantoin|N-Monobromo-N-monochloro-5,5-dimethylhydantoin|Nylate|Photobrome|Slimicide 78P|Slimicide C 77P|UNII-W18O2G87ND https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032591
ERPathway2016 ERPathway2016_747 1-Bromo-3-chloro-5,5-dimethylhydantoin 16079-88-2 DTXSID3032591 R8 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)N(Br)C(=O)N(Cl)C1=O 1-Bromo-3-chloro-5,5-dimethylhydantoin 16079-88-2|1-Bromo-3-chloro-5,5-dimethylhydantoin|1-Bromo-3-chloro-5,5-dimethyl-2,4-imidazolidinedione|2,4-Imidazolidinedione, 1-bromo-3-chloro-5,5-dimethyl-|Agribrom|Aquabrom|Aquabrome|BCDMH|BromiCide|Bromochloro-5,5-dimethylhydantoin|Caswell No. 114A|Di-Halo|Ebasani 4400|EINECS 240-230-0|EPA Pesticide Chemical Code 006315|Halogene T 30|Hydantoin, 1-bromo-3-chloro-5,5-dimethyl-|N-Bromo-N'-chloro-5,5-dimethylhydantoin|N-Monobromo-N-monochloro-5,5-dimethylhydantoin|Nylate|Photobrome|Slimicide 78P|Slimicide C 77P|UNII-W18O2G87ND https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032591
ERPathway2016 ERPathway2016_747 1-Bromo-3-chloro-5,5-dimethylhydantoin 16079-88-2 DTXSID3032591 R8 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)N(Br)C(=O)N(Cl)C1=O 1-Bromo-3-chloro-5,5-dimethylhydantoin 16079-88-2|1-Bromo-3-chloro-5,5-dimethylhydantoin|1-Bromo-3-chloro-5,5-dimethyl-2,4-imidazolidinedione|2,4-Imidazolidinedione, 1-bromo-3-chloro-5,5-dimethyl-|Agribrom|Aquabrom|Aquabrome|BCDMH|BromiCide|Bromochloro-5,5-dimethylhydantoin|Caswell No. 114A|Di-Halo|Ebasani 4400|EINECS 240-230-0|EPA Pesticide Chemical Code 006315|Halogene T 30|Hydantoin, 1-bromo-3-chloro-5,5-dimethyl-|N-Bromo-N'-chloro-5,5-dimethylhydantoin|N-Monobromo-N-monochloro-5,5-dimethylhydantoin|Nylate|Photobrome|Slimicide 78P|Slimicide C 77P|UNII-W18O2G87ND https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032591
ERPathway2016 ERPathway2016_747 1-Bromo-3-chloro-5,5-dimethylhydantoin 16079-88-2 DTXSID3032591 R8 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)N(Br)C(=O)N(Cl)C1=O 1-Bromo-3-chloro-5,5-dimethylhydantoin 16079-88-2|1-Bromo-3-chloro-5,5-dimethylhydantoin|1-Bromo-3-chloro-5,5-dimethyl-2,4-imidazolidinedione|2,4-Imidazolidinedione, 1-bromo-3-chloro-5,5-dimethyl-|Agribrom|Aquabrom|Aquabrome|BCDMH|BromiCide|Bromochloro-5,5-dimethylhydantoin|Caswell No. 114A|Di-Halo|Ebasani 4400|EINECS 240-230-0|EPA Pesticide Chemical Code 006315|Halogene T 30|Hydantoin, 1-bromo-3-chloro-5,5-dimethyl-|N-Bromo-N'-chloro-5,5-dimethylhydantoin|N-Monobromo-N-monochloro-5,5-dimethylhydantoin|Nylate|Photobrome|Slimicide 78P|Slimicide C 77P|UNII-W18O2G87ND https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032591
ERPathway2016 ERPathway2016_747 1-Bromo-3-chloro-5,5-dimethylhydantoin 16079-88-2 DTXSID3032591 R8 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)N(Br)C(=O)N(Cl)C1=O 1-Bromo-3-chloro-5,5-dimethylhydantoin 16079-88-2|1-Bromo-3-chloro-5,5-dimethylhydantoin|1-Bromo-3-chloro-5,5-dimethyl-2,4-imidazolidinedione|2,4-Imidazolidinedione, 1-bromo-3-chloro-5,5-dimethyl-|Agribrom|Aquabrom|Aquabrome|BCDMH|BromiCide|Bromochloro-5,5-dimethylhydantoin|Caswell No. 114A|Di-Halo|Ebasani 4400|EINECS 240-230-0|EPA Pesticide Chemical Code 006315|Halogene T 30|Hydantoin, 1-bromo-3-chloro-5,5-dimethyl-|N-Bromo-N'-chloro-5,5-dimethylhydantoin|N-Monobromo-N-monochloro-5,5-dimethylhydantoin|Nylate|Photobrome|Slimicide 78P|Slimicide C 77P|UNII-W18O2G87ND https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032591
ARPathway2016 ARPathway2016_1219 1-Bromo-4-fluorobenzene 460-00-4 DTXSID4027153 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless FC1=CC=C(Br)C=C1 1-Bromo-4-fluorobenzene 460-00-4|1-Bromo-4-fluorobenzene|1-Brom-4-fluorbenzol|1-bromo-4-fluorobenceno|1-Fluoro-4-bromobenzene|4-Bromo-1-fluorobenzene|4-Bromofluorobenzene|4-Bromophenyl fluoride|4-Fluoro-1-bromobenzene|4-Fluorobenzene bromide|4-Fluorobromobenzene|4-Fluorophenyl bromide|Benzene, 1-bromo-4-fluoro-|BFB|EINECS 207-300-2|NSC 10268|NSC 9460|p-Bromofluorobenzene|p-Fluorobromobenzene|p-Fluorophenyl bromide https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027153
ARPathway2016 ARPathway2016_1219 1-Bromo-4-fluorobenzene 460-00-4 DTXSID4027153 0.0 AR Pathway Model, Agonist Model Score 0 Unitless FC1=CC=C(Br)C=C1 1-Bromo-4-fluorobenzene 460-00-4|1-Bromo-4-fluorobenzene|1-Brom-4-fluorbenzol|1-bromo-4-fluorobenceno|1-Fluoro-4-bromobenzene|4-Bromo-1-fluorobenzene|4-Bromofluorobenzene|4-Bromophenyl fluoride|4-Fluoro-1-bromobenzene|4-Fluorobenzene bromide|4-Fluorobromobenzene|4-Fluorophenyl bromide|Benzene, 1-bromo-4-fluoro-|BFB|EINECS 207-300-2|NSC 10268|NSC 9460|p-Bromofluorobenzene|p-Fluorobromobenzene|p-Fluorophenyl bromide https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027153
ARPathway2016 ARPathway2016_1219 1-Bromo-4-fluorobenzene 460-00-4 DTXSID4027153 0.0 AR Pathway Model, Agonist Call Inactive Unitless FC1=CC=C(Br)C=C1 1-Bromo-4-fluorobenzene 460-00-4|1-Bromo-4-fluorobenzene|1-Brom-4-fluorbenzol|1-bromo-4-fluorobenceno|1-Fluoro-4-bromobenzene|4-Bromo-1-fluorobenzene|4-Bromofluorobenzene|4-Bromophenyl fluoride|4-Fluoro-1-bromobenzene|4-Fluorobenzene bromide|4-Fluorobromobenzene|4-Fluorophenyl bromide|Benzene, 1-bromo-4-fluoro-|BFB|EINECS 207-300-2|NSC 10268|NSC 9460|p-Bromofluorobenzene|p-Fluorobromobenzene|p-Fluorophenyl bromide https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027153
ARPathway2016 ARPathway2016_1219 1-Bromo-4-fluorobenzene 460-00-4 DTXSID4027153 0.0 AR Pathway Model, Antagonist Call Inactive Unitless FC1=CC=C(Br)C=C1 1-Bromo-4-fluorobenzene 460-00-4|1-Bromo-4-fluorobenzene|1-Brom-4-fluorbenzol|1-bromo-4-fluorobenceno|1-Fluoro-4-bromobenzene|4-Bromo-1-fluorobenzene|4-Bromofluorobenzene|4-Bromophenyl fluoride|4-Fluoro-1-bromobenzene|4-Fluorobenzene bromide|4-Fluorobromobenzene|4-Fluorophenyl bromide|Benzene, 1-bromo-4-fluoro-|BFB|EINECS 207-300-2|NSC 10268|NSC 9460|p-Bromofluorobenzene|p-Fluorobromobenzene|p-Fluorophenyl bromide https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027153
ERPathway2016 ERPathway2016_868 1-Bromo-4-fluorobenzene 460-00-4 DTXSID4027153 ER Pathway Model, Agonist Model Score 0 Unitless FC1=CC=C(Br)C=C1 1-Bromo-4-fluorobenzene 460-00-4|1-Bromo-4-fluorobenzene|1-Brom-4-fluorbenzol|1-bromo-4-fluorobenceno|1-Fluoro-4-bromobenzene|4-Bromo-1-fluorobenzene|4-Bromofluorobenzene|4-Bromophenyl fluoride|4-Fluoro-1-bromobenzene|4-Fluorobenzene bromide|4-Fluorobromobenzene|4-Fluorophenyl bromide|Benzene, 1-bromo-4-fluoro-|BFB|EINECS 207-300-2|NSC 10268|NSC 9460|p-Bromofluorobenzene|p-Fluorobromobenzene|p-Fluorophenyl bromide https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027153
ERPathway2016 ERPathway2016_868 1-Bromo-4-fluorobenzene 460-00-4 DTXSID4027153 ER Pathway Model, Antagonist Model Score 0 Unitless FC1=CC=C(Br)C=C1 1-Bromo-4-fluorobenzene 460-00-4|1-Bromo-4-fluorobenzene|1-Brom-4-fluorbenzol|1-bromo-4-fluorobenceno|1-Fluoro-4-bromobenzene|4-Bromo-1-fluorobenzene|4-Bromofluorobenzene|4-Bromophenyl fluoride|4-Fluoro-1-bromobenzene|4-Fluorobenzene bromide|4-Fluorobromobenzene|4-Fluorophenyl bromide|Benzene, 1-bromo-4-fluoro-|BFB|EINECS 207-300-2|NSC 10268|NSC 9460|p-Bromofluorobenzene|p-Fluorobromobenzene|p-Fluorophenyl bromide https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027153
ERPathway2016 ERPathway2016_868 1-Bromo-4-fluorobenzene 460-00-4 DTXSID4027153 ER Pathway Model, Agonist Call Inactive Unitless FC1=CC=C(Br)C=C1 1-Bromo-4-fluorobenzene 460-00-4|1-Bromo-4-fluorobenzene|1-Brom-4-fluorbenzol|1-bromo-4-fluorobenceno|1-Fluoro-4-bromobenzene|4-Bromo-1-fluorobenzene|4-Bromofluorobenzene|4-Bromophenyl fluoride|4-Fluoro-1-bromobenzene|4-Fluorobenzene bromide|4-Fluorobromobenzene|4-Fluorophenyl bromide|Benzene, 1-bromo-4-fluoro-|BFB|EINECS 207-300-2|NSC 10268|NSC 9460|p-Bromofluorobenzene|p-Fluorobromobenzene|p-Fluorophenyl bromide https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027153
ERPathway2016 ERPathway2016_868 1-Bromo-4-fluorobenzene 460-00-4 DTXSID4027153 ER Pathway Model, Antagonist Call Inactive Unitless FC1=CC=C(Br)C=C1 1-Bromo-4-fluorobenzene 460-00-4|1-Bromo-4-fluorobenzene|1-Brom-4-fluorbenzol|1-bromo-4-fluorobenceno|1-Fluoro-4-bromobenzene|4-Bromo-1-fluorobenzene|4-Bromofluorobenzene|4-Bromophenyl fluoride|4-Fluoro-1-bromobenzene|4-Fluorobenzene bromide|4-Fluorobromobenzene|4-Fluorophenyl bromide|Benzene, 1-bromo-4-fluoro-|BFB|EINECS 207-300-2|NSC 10268|NSC 9460|p-Bromofluorobenzene|p-Fluorobromobenzene|p-Fluorophenyl bromide https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027153
ARPathway2016 ARPathway2016_320 1-Chloro-2,4-dinitrobenzene 97-00-7 DTXSID6020278 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 10.0050791385556 uM [O-][N+](=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O 1-Chloro-2,4-dinitrobenzene 97-00-7|1-Chloro-2,4-dinitrobenzene|1-Chloor-2,4-dinitrobenzeen|1-Chlor-2,4-dinitrobenzene|1-Chlor-2,4-dinitrobenzol|1-Chloro-2,4-dinitrobenzeen|1-Chloro-2,4-dinitrobenzol|1-Chloro-2,4-nitrobenzene|1-cloro-2,4-dinitrobenceno|1-Cloro-2,4-dinitrobenzene|1,3-Dinitro-4-chlorobenzene|2-Chloro-1,5-dinitrobenzene|2,4-Dinitro-1-chlorobenzene|2,4-Dinitrochlorobenzene|2,4-Dinitrophenyl chloride|4-Chloro-1,3-dinitrobenzene|6-Chloro-1,3-dinitrobenzene|Benzene, 1-chloro-2,4-dinitro-|Caswell No. 389C|Cdnb|Chlorodinitrobenzene|ClDNB|Dinitrochlorobenzene|Dinitrochlorobenzol|DNCB|DNPCl|EINECS 202-551-4|EPA Pesticide Chemical Code 055102|NSC 6292|UN 1577|UNII-GE3IBT7BMN https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020278
ARPathway2016 ARPathway2016_320 1-Chloro-2,4-dinitrobenzene 97-00-7 DTXSID6020278 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 8.48515356798536 uM [O-][N+](=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O 1-Chloro-2,4-dinitrobenzene 97-00-7|1-Chloro-2,4-dinitrobenzene|1-Chloor-2,4-dinitrobenzeen|1-Chlor-2,4-dinitrobenzene|1-Chlor-2,4-dinitrobenzol|1-Chloro-2,4-dinitrobenzeen|1-Chloro-2,4-dinitrobenzol|1-Chloro-2,4-nitrobenzene|1-cloro-2,4-dinitrobenceno|1-Cloro-2,4-dinitrobenzene|1,3-Dinitro-4-chlorobenzene|2-Chloro-1,5-dinitrobenzene|2,4-Dinitro-1-chlorobenzene|2,4-Dinitrochlorobenzene|2,4-Dinitrophenyl chloride|4-Chloro-1,3-dinitrobenzene|6-Chloro-1,3-dinitrobenzene|Benzene, 1-chloro-2,4-dinitro-|Caswell No. 389C|Cdnb|Chlorodinitrobenzene|ClDNB|Dinitrochlorobenzene|Dinitrochlorobenzol|DNCB|DNPCl|EINECS 202-551-4|EPA Pesticide Chemical Code 055102|NSC 6292|UN 1577|UNII-GE3IBT7BMN https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020278
ARPathway2016 ARPathway2016_320 1-Chloro-2,4-dinitrobenzene 97-00-7 DTXSID6020278 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.437 Unitless [O-][N+](=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O 1-Chloro-2,4-dinitrobenzene 97-00-7|1-Chloro-2,4-dinitrobenzene|1-Chloor-2,4-dinitrobenzeen|1-Chlor-2,4-dinitrobenzene|1-Chlor-2,4-dinitrobenzol|1-Chloro-2,4-dinitrobenzeen|1-Chloro-2,4-dinitrobenzol|1-Chloro-2,4-nitrobenzene|1-cloro-2,4-dinitrobenceno|1-Cloro-2,4-dinitrobenzene|1,3-Dinitro-4-chlorobenzene|2-Chloro-1,5-dinitrobenzene|2,4-Dinitro-1-chlorobenzene|2,4-Dinitrochlorobenzene|2,4-Dinitrophenyl chloride|4-Chloro-1,3-dinitrobenzene|6-Chloro-1,3-dinitrobenzene|Benzene, 1-chloro-2,4-dinitro-|Caswell No. 389C|Cdnb|Chlorodinitrobenzene|ClDNB|Dinitrochlorobenzene|Dinitrochlorobenzol|DNCB|DNPCl|EINECS 202-551-4|EPA Pesticide Chemical Code 055102|NSC 6292|UN 1577|UNII-GE3IBT7BMN https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020278
ARPathway2016 ARPathway2016_320 1-Chloro-2,4-dinitrobenzene 97-00-7 DTXSID6020278 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O 1-Chloro-2,4-dinitrobenzene 97-00-7|1-Chloro-2,4-dinitrobenzene|1-Chloor-2,4-dinitrobenzeen|1-Chlor-2,4-dinitrobenzene|1-Chlor-2,4-dinitrobenzol|1-Chloro-2,4-dinitrobenzeen|1-Chloro-2,4-dinitrobenzol|1-Chloro-2,4-nitrobenzene|1-cloro-2,4-dinitrobenceno|1-Cloro-2,4-dinitrobenzene|1,3-Dinitro-4-chlorobenzene|2-Chloro-1,5-dinitrobenzene|2,4-Dinitro-1-chlorobenzene|2,4-Dinitrochlorobenzene|2,4-Dinitrophenyl chloride|4-Chloro-1,3-dinitrobenzene|6-Chloro-1,3-dinitrobenzene|Benzene, 1-chloro-2,4-dinitro-|Caswell No. 389C|Cdnb|Chlorodinitrobenzene|ClDNB|Dinitrochlorobenzene|Dinitrochlorobenzol|DNCB|DNPCl|EINECS 202-551-4|EPA Pesticide Chemical Code 055102|NSC 6292|UN 1577|UNII-GE3IBT7BMN https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020278
ARPathway2016 ARPathway2016_320 1-Chloro-2,4-dinitrobenzene 97-00-7 DTXSID6020278 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [O-][N+](=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O 1-Chloro-2,4-dinitrobenzene 97-00-7|1-Chloro-2,4-dinitrobenzene|1-Chloor-2,4-dinitrobenzeen|1-Chlor-2,4-dinitrobenzene|1-Chlor-2,4-dinitrobenzol|1-Chloro-2,4-dinitrobenzeen|1-Chloro-2,4-dinitrobenzol|1-Chloro-2,4-nitrobenzene|1-cloro-2,4-dinitrobenceno|1-Cloro-2,4-dinitrobenzene|1,3-Dinitro-4-chlorobenzene|2-Chloro-1,5-dinitrobenzene|2,4-Dinitro-1-chlorobenzene|2,4-Dinitrochlorobenzene|2,4-Dinitrophenyl chloride|4-Chloro-1,3-dinitrobenzene|6-Chloro-1,3-dinitrobenzene|Benzene, 1-chloro-2,4-dinitro-|Caswell No. 389C|Cdnb|Chlorodinitrobenzene|ClDNB|Dinitrochlorobenzene|Dinitrochlorobenzol|DNCB|DNPCl|EINECS 202-551-4|EPA Pesticide Chemical Code 055102|NSC 6292|UN 1577|UNII-GE3IBT7BMN https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020278
ARPathway2016 ARPathway2016_320 1-Chloro-2,4-dinitrobenzene 97-00-7 DTXSID6020278 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O 1-Chloro-2,4-dinitrobenzene 97-00-7|1-Chloro-2,4-dinitrobenzene|1-Chloor-2,4-dinitrobenzeen|1-Chlor-2,4-dinitrobenzene|1-Chlor-2,4-dinitrobenzol|1-Chloro-2,4-dinitrobenzeen|1-Chloro-2,4-dinitrobenzol|1-Chloro-2,4-nitrobenzene|1-cloro-2,4-dinitrobenceno|1-Cloro-2,4-dinitrobenzene|1,3-Dinitro-4-chlorobenzene|2-Chloro-1,5-dinitrobenzene|2,4-Dinitro-1-chlorobenzene|2,4-Dinitrochlorobenzene|2,4-Dinitrophenyl chloride|4-Chloro-1,3-dinitrobenzene|6-Chloro-1,3-dinitrobenzene|Benzene, 1-chloro-2,4-dinitro-|Caswell No. 389C|Cdnb|Chlorodinitrobenzene|ClDNB|Dinitrochlorobenzene|Dinitrochlorobenzol|DNCB|DNPCl|EINECS 202-551-4|EPA Pesticide Chemical Code 055102|NSC 6292|UN 1577|UNII-GE3IBT7BMN https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020278
ERPathway2016 ERPathway2016_122 1-Chloro-2,4-dinitrobenzene 97-00-7 DTXSID6020278 ER Pathway Model, Agonist AC50 13.5235353836294 uM [O-][N+](=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O 1-Chloro-2,4-dinitrobenzene 97-00-7|1-Chloro-2,4-dinitrobenzene|1-Chloor-2,4-dinitrobenzeen|1-Chlor-2,4-dinitrobenzene|1-Chlor-2,4-dinitrobenzol|1-Chloro-2,4-dinitrobenzeen|1-Chloro-2,4-dinitrobenzol|1-Chloro-2,4-nitrobenzene|1-cloro-2,4-dinitrobenceno|1-Cloro-2,4-dinitrobenzene|1,3-Dinitro-4-chlorobenzene|2-Chloro-1,5-dinitrobenzene|2,4-Dinitro-1-chlorobenzene|2,4-Dinitrochlorobenzene|2,4-Dinitrophenyl chloride|4-Chloro-1,3-dinitrobenzene|6-Chloro-1,3-dinitrobenzene|Benzene, 1-chloro-2,4-dinitro-|Caswell No. 389C|Cdnb|Chlorodinitrobenzene|ClDNB|Dinitrochlorobenzene|Dinitrochlorobenzol|DNCB|DNPCl|EINECS 202-551-4|EPA Pesticide Chemical Code 055102|NSC 6292|UN 1577|UNII-GE3IBT7BMN https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020278
ERPathway2016 ERPathway2016_122 1-Chloro-2,4-dinitrobenzene 97-00-7 DTXSID6020278 ER Pathway Model, Agonist ACC 11.6180477882313 uM [O-][N+](=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O 1-Chloro-2,4-dinitrobenzene 97-00-7|1-Chloro-2,4-dinitrobenzene|1-Chloor-2,4-dinitrobenzeen|1-Chlor-2,4-dinitrobenzene|1-Chlor-2,4-dinitrobenzol|1-Chloro-2,4-dinitrobenzeen|1-Chloro-2,4-dinitrobenzol|1-Chloro-2,4-nitrobenzene|1-cloro-2,4-dinitrobenceno|1-Cloro-2,4-dinitrobenzene|1,3-Dinitro-4-chlorobenzene|2-Chloro-1,5-dinitrobenzene|2,4-Dinitro-1-chlorobenzene|2,4-Dinitrochlorobenzene|2,4-Dinitrophenyl chloride|4-Chloro-1,3-dinitrobenzene|6-Chloro-1,3-dinitrobenzene|Benzene, 1-chloro-2,4-dinitro-|Caswell No. 389C|Cdnb|Chlorodinitrobenzene|ClDNB|Dinitrochlorobenzene|Dinitrochlorobenzol|DNCB|DNPCl|EINECS 202-551-4|EPA Pesticide Chemical Code 055102|NSC 6292|UN 1577|UNII-GE3IBT7BMN https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020278
ERPathway2016 ERPathway2016_122 1-Chloro-2,4-dinitrobenzene 97-00-7 DTXSID6020278 ER Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O 1-Chloro-2,4-dinitrobenzene 97-00-7|1-Chloro-2,4-dinitrobenzene|1-Chloor-2,4-dinitrobenzeen|1-Chlor-2,4-dinitrobenzene|1-Chlor-2,4-dinitrobenzol|1-Chloro-2,4-dinitrobenzeen|1-Chloro-2,4-dinitrobenzol|1-Chloro-2,4-nitrobenzene|1-cloro-2,4-dinitrobenceno|1-Cloro-2,4-dinitrobenzene|1,3-Dinitro-4-chlorobenzene|2-Chloro-1,5-dinitrobenzene|2,4-Dinitro-1-chlorobenzene|2,4-Dinitrochlorobenzene|2,4-Dinitrophenyl chloride|4-Chloro-1,3-dinitrobenzene|6-Chloro-1,3-dinitrobenzene|Benzene, 1-chloro-2,4-dinitro-|Caswell No. 389C|Cdnb|Chlorodinitrobenzene|ClDNB|Dinitrochlorobenzene|Dinitrochlorobenzol|DNCB|DNPCl|EINECS 202-551-4|EPA Pesticide Chemical Code 055102|NSC 6292|UN 1577|UNII-GE3IBT7BMN https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020278
ERPathway2016 ERPathway2016_122 1-Chloro-2,4-dinitrobenzene 97-00-7 DTXSID6020278 ER Pathway Model, Antagonist Model Score 0.0638 Unitless [O-][N+](=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O 1-Chloro-2,4-dinitrobenzene 97-00-7|1-Chloro-2,4-dinitrobenzene|1-Chloor-2,4-dinitrobenzeen|1-Chlor-2,4-dinitrobenzene|1-Chlor-2,4-dinitrobenzol|1-Chloro-2,4-dinitrobenzeen|1-Chloro-2,4-dinitrobenzol|1-Chloro-2,4-nitrobenzene|1-cloro-2,4-dinitrobenceno|1-Cloro-2,4-dinitrobenzene|1,3-Dinitro-4-chlorobenzene|2-Chloro-1,5-dinitrobenzene|2,4-Dinitro-1-chlorobenzene|2,4-Dinitrochlorobenzene|2,4-Dinitrophenyl chloride|4-Chloro-1,3-dinitrobenzene|6-Chloro-1,3-dinitrobenzene|Benzene, 1-chloro-2,4-dinitro-|Caswell No. 389C|Cdnb|Chlorodinitrobenzene|ClDNB|Dinitrochlorobenzene|Dinitrochlorobenzol|DNCB|DNPCl|EINECS 202-551-4|EPA Pesticide Chemical Code 055102|NSC 6292|UN 1577|UNII-GE3IBT7BMN https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020278
ERPathway2016 ERPathway2016_122 1-Chloro-2,4-dinitrobenzene 97-00-7 DTXSID6020278 ER Pathway Model, Agonist Call Active Unitless [O-][N+](=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O 1-Chloro-2,4-dinitrobenzene 97-00-7|1-Chloro-2,4-dinitrobenzene|1-Chloor-2,4-dinitrobenzeen|1-Chlor-2,4-dinitrobenzene|1-Chlor-2,4-dinitrobenzol|1-Chloro-2,4-dinitrobenzeen|1-Chloro-2,4-dinitrobenzol|1-Chloro-2,4-nitrobenzene|1-cloro-2,4-dinitrobenceno|1-Cloro-2,4-dinitrobenzene|1,3-Dinitro-4-chlorobenzene|2-Chloro-1,5-dinitrobenzene|2,4-Dinitro-1-chlorobenzene|2,4-Dinitrochlorobenzene|2,4-Dinitrophenyl chloride|4-Chloro-1,3-dinitrobenzene|6-Chloro-1,3-dinitrobenzene|Benzene, 1-chloro-2,4-dinitro-|Caswell No. 389C|Cdnb|Chlorodinitrobenzene|ClDNB|Dinitrochlorobenzene|Dinitrochlorobenzol|DNCB|DNPCl|EINECS 202-551-4|EPA Pesticide Chemical Code 055102|NSC 6292|UN 1577|UNII-GE3IBT7BMN https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020278
ERPathway2016 ERPathway2016_122 1-Chloro-2,4-dinitrobenzene 97-00-7 DTXSID6020278 ER Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O 1-Chloro-2,4-dinitrobenzene 97-00-7|1-Chloro-2,4-dinitrobenzene|1-Chloor-2,4-dinitrobenzeen|1-Chlor-2,4-dinitrobenzene|1-Chlor-2,4-dinitrobenzol|1-Chloro-2,4-dinitrobenzeen|1-Chloro-2,4-dinitrobenzol|1-Chloro-2,4-nitrobenzene|1-cloro-2,4-dinitrobenceno|1-Cloro-2,4-dinitrobenzene|1,3-Dinitro-4-chlorobenzene|2-Chloro-1,5-dinitrobenzene|2,4-Dinitro-1-chlorobenzene|2,4-Dinitrochlorobenzene|2,4-Dinitrophenyl chloride|4-Chloro-1,3-dinitrobenzene|6-Chloro-1,3-dinitrobenzene|Benzene, 1-chloro-2,4-dinitro-|Caswell No. 389C|Cdnb|Chlorodinitrobenzene|ClDNB|Dinitrochlorobenzene|Dinitrochlorobenzol|DNCB|DNPCl|EINECS 202-551-4|EPA Pesticide Chemical Code 055102|NSC 6292|UN 1577|UNII-GE3IBT7BMN https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020278
ARPathway2016 ARPathway2016_1803 1-Chloro-4-(trifluoromethyl)benzene 98-56-6 DTXSID7024821 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless FC(F)(F)C1=CC=C(Cl)C=C1 1-Chloro-4-(trifluoromethyl)benzene 98-56-6|1-Chloro-4-(trifluoromethyl)benzene|(p-Chlorophenyl)trifluoromethane|1-(Trifluoromethyl)-4-chlorobenzene|4-(Trifluoromethyl)chlorobenzene|4-Chlorobenzotrifluoride|4CBTF|alpha,alpha,alpha-Trifluoro-4-chlorotoluene|Benzene, 1-chloro-4-(trifluoromethyl)-|BRN 0510203|EINECS 202-681-1|NSC 10309|Oxsol 100|p-(Trifluoromethyl)chlorobenzene|p-Chloro-a,a,a-trifluorotoluene|p-Chlorobenzotrifluoride|p-Chlorotrifluoromethylbenzene|p-Trifluoromethylphenyl chloride|para-Chloro-alpha,alpha,alpha-trifluorotoluene|para-Chlorobenzotrifluoride|para-Chlorotrifluoromethylbenzene|PCBTF|UNII-694YO34JHC|92709-16-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024821 https://doi.org/10.22427/NTP-DATA-DTXSID7024821
ARPathway2016 ARPathway2016_1803 1-Chloro-4-(trifluoromethyl)benzene 98-56-6 DTXSID7024821 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless FC(F)(F)C1=CC=C(Cl)C=C1 1-Chloro-4-(trifluoromethyl)benzene 98-56-6|1-Chloro-4-(trifluoromethyl)benzene|(p-Chlorophenyl)trifluoromethane|1-(Trifluoromethyl)-4-chlorobenzene|4-(Trifluoromethyl)chlorobenzene|4-Chlorobenzotrifluoride|4CBTF|alpha,alpha,alpha-Trifluoro-4-chlorotoluene|Benzene, 1-chloro-4-(trifluoromethyl)-|BRN 0510203|EINECS 202-681-1|NSC 10309|Oxsol 100|p-(Trifluoromethyl)chlorobenzene|p-Chloro-a,a,a-trifluorotoluene|p-Chlorobenzotrifluoride|p-Chlorotrifluoromethylbenzene|p-Trifluoromethylphenyl chloride|para-Chloro-alpha,alpha,alpha-trifluorotoluene|para-Chlorobenzotrifluoride|para-Chlorotrifluoromethylbenzene|PCBTF|UNII-694YO34JHC|92709-16-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024821 https://doi.org/10.22427/NTP-DATA-DTXSID7024821
ARPathway2016 ARPathway2016_1803 1-Chloro-4-(trifluoromethyl)benzene 98-56-6 DTXSID7024821 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Inactive Unitless FC(F)(F)C1=CC=C(Cl)C=C1 1-Chloro-4-(trifluoromethyl)benzene 98-56-6|1-Chloro-4-(trifluoromethyl)benzene|(p-Chlorophenyl)trifluoromethane|1-(Trifluoromethyl)-4-chlorobenzene|4-(Trifluoromethyl)chlorobenzene|4-Chlorobenzotrifluoride|4CBTF|alpha,alpha,alpha-Trifluoro-4-chlorotoluene|Benzene, 1-chloro-4-(trifluoromethyl)-|BRN 0510203|EINECS 202-681-1|NSC 10309|Oxsol 100|p-(Trifluoromethyl)chlorobenzene|p-Chloro-a,a,a-trifluorotoluene|p-Chlorobenzotrifluoride|p-Chlorotrifluoromethylbenzene|p-Trifluoromethylphenyl chloride|para-Chloro-alpha,alpha,alpha-trifluorotoluene|para-Chlorobenzotrifluoride|para-Chlorotrifluoromethylbenzene|PCBTF|UNII-694YO34JHC|92709-16-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024821 https://doi.org/10.22427/NTP-DATA-DTXSID7024821
ARPathway2016 ARPathway2016_1803 1-Chloro-4-(trifluoromethyl)benzene 98-56-6 DTXSID7024821 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless FC(F)(F)C1=CC=C(Cl)C=C1 1-Chloro-4-(trifluoromethyl)benzene 98-56-6|1-Chloro-4-(trifluoromethyl)benzene|(p-Chlorophenyl)trifluoromethane|1-(Trifluoromethyl)-4-chlorobenzene|4-(Trifluoromethyl)chlorobenzene|4-Chlorobenzotrifluoride|4CBTF|alpha,alpha,alpha-Trifluoro-4-chlorotoluene|Benzene, 1-chloro-4-(trifluoromethyl)-|BRN 0510203|EINECS 202-681-1|NSC 10309|Oxsol 100|p-(Trifluoromethyl)chlorobenzene|p-Chloro-a,a,a-trifluorotoluene|p-Chlorobenzotrifluoride|p-Chlorotrifluoromethylbenzene|p-Trifluoromethylphenyl chloride|para-Chloro-alpha,alpha,alpha-trifluorotoluene|para-Chlorobenzotrifluoride|para-Chlorotrifluoromethylbenzene|PCBTF|UNII-694YO34JHC|92709-16-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024821 https://doi.org/10.22427/NTP-DATA-DTXSID7024821
ERPathway2016 ERPathway2016_852 1-Chloro-4-(trifluoromethyl)benzene 98-56-6 DTXSID7024821 ER Pathway Model, Agonist Model Score 0 Unitless FC(F)(F)C1=CC=C(Cl)C=C1 1-Chloro-4-(trifluoromethyl)benzene 98-56-6|1-Chloro-4-(trifluoromethyl)benzene|(p-Chlorophenyl)trifluoromethane|1-(Trifluoromethyl)-4-chlorobenzene|4-(Trifluoromethyl)chlorobenzene|4-Chlorobenzotrifluoride|4CBTF|alpha,alpha,alpha-Trifluoro-4-chlorotoluene|Benzene, 1-chloro-4-(trifluoromethyl)-|BRN 0510203|EINECS 202-681-1|NSC 10309|Oxsol 100|p-(Trifluoromethyl)chlorobenzene|p-Chloro-a,a,a-trifluorotoluene|p-Chlorobenzotrifluoride|p-Chlorotrifluoromethylbenzene|p-Trifluoromethylphenyl chloride|para-Chloro-alpha,alpha,alpha-trifluorotoluene|para-Chlorobenzotrifluoride|para-Chlorotrifluoromethylbenzene|PCBTF|UNII-694YO34JHC|92709-16-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024821 https://doi.org/10.22427/NTP-DATA-DTXSID7024821
ERPathway2016 ERPathway2016_852 1-Chloro-4-(trifluoromethyl)benzene 98-56-6 DTXSID7024821 ER Pathway Model, Antagonist Model Score 0 Unitless FC(F)(F)C1=CC=C(Cl)C=C1 1-Chloro-4-(trifluoromethyl)benzene 98-56-6|1-Chloro-4-(trifluoromethyl)benzene|(p-Chlorophenyl)trifluoromethane|1-(Trifluoromethyl)-4-chlorobenzene|4-(Trifluoromethyl)chlorobenzene|4-Chlorobenzotrifluoride|4CBTF|alpha,alpha,alpha-Trifluoro-4-chlorotoluene|Benzene, 1-chloro-4-(trifluoromethyl)-|BRN 0510203|EINECS 202-681-1|NSC 10309|Oxsol 100|p-(Trifluoromethyl)chlorobenzene|p-Chloro-a,a,a-trifluorotoluene|p-Chlorobenzotrifluoride|p-Chlorotrifluoromethylbenzene|p-Trifluoromethylphenyl chloride|para-Chloro-alpha,alpha,alpha-trifluorotoluene|para-Chlorobenzotrifluoride|para-Chlorotrifluoromethylbenzene|PCBTF|UNII-694YO34JHC|92709-16-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024821 https://doi.org/10.22427/NTP-DATA-DTXSID7024821
ERPathway2016 ERPathway2016_852 1-Chloro-4-(trifluoromethyl)benzene 98-56-6 DTXSID7024821 ER Pathway Model, Agonist Call Inactive Unitless FC(F)(F)C1=CC=C(Cl)C=C1 1-Chloro-4-(trifluoromethyl)benzene 98-56-6|1-Chloro-4-(trifluoromethyl)benzene|(p-Chlorophenyl)trifluoromethane|1-(Trifluoromethyl)-4-chlorobenzene|4-(Trifluoromethyl)chlorobenzene|4-Chlorobenzotrifluoride|4CBTF|alpha,alpha,alpha-Trifluoro-4-chlorotoluene|Benzene, 1-chloro-4-(trifluoromethyl)-|BRN 0510203|EINECS 202-681-1|NSC 10309|Oxsol 100|p-(Trifluoromethyl)chlorobenzene|p-Chloro-a,a,a-trifluorotoluene|p-Chlorobenzotrifluoride|p-Chlorotrifluoromethylbenzene|p-Trifluoromethylphenyl chloride|para-Chloro-alpha,alpha,alpha-trifluorotoluene|para-Chlorobenzotrifluoride|para-Chlorotrifluoromethylbenzene|PCBTF|UNII-694YO34JHC|92709-16-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024821 https://doi.org/10.22427/NTP-DATA-DTXSID7024821
ERPathway2016 ERPathway2016_852 1-Chloro-4-(trifluoromethyl)benzene 98-56-6 DTXSID7024821 ER Pathway Model, Antagonist Call Inactive Unitless FC(F)(F)C1=CC=C(Cl)C=C1 1-Chloro-4-(trifluoromethyl)benzene 98-56-6|1-Chloro-4-(trifluoromethyl)benzene|(p-Chlorophenyl)trifluoromethane|1-(Trifluoromethyl)-4-chlorobenzene|4-(Trifluoromethyl)chlorobenzene|4-Chlorobenzotrifluoride|4CBTF|alpha,alpha,alpha-Trifluoro-4-chlorotoluene|Benzene, 1-chloro-4-(trifluoromethyl)-|BRN 0510203|EINECS 202-681-1|NSC 10309|Oxsol 100|p-(Trifluoromethyl)chlorobenzene|p-Chloro-a,a,a-trifluorotoluene|p-Chlorobenzotrifluoride|p-Chlorotrifluoromethylbenzene|p-Trifluoromethylphenyl chloride|para-Chloro-alpha,alpha,alpha-trifluorotoluene|para-Chlorobenzotrifluoride|para-Chlorotrifluoromethylbenzene|PCBTF|UNII-694YO34JHC|92709-16-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024821 https://doi.org/10.22427/NTP-DATA-DTXSID7024821
ARPathway2016 ARPathway2016_390 1-Chloro-4-nitrobenzene 100-00-5 DTXSID5020281 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [O-][N+](=O)C1=CC=C(Cl)C=C1 1-Chloro-4-nitrobenzene 100-00-5|1-Chloro-4-nitrobenzene|1-Chloor-4-nitrobenzeen|1-Chlor-4-nitrobenzol|1-cloro-4-nitrobenceno|1-Cloro-4-nitrobenzene|1-Nitro-4-chlorobenzene|4-Chloro-1-nitrobenzene|4-Chloronitrobenzene|4-Nitro-1-chlorobenzene|4-Nitrochlorobenzene|4-Nitrophenyl chloride|Benzene, 1-chloro-4-nitro-|EINECS 202-809-6|NSC 9792|P-CHLORNITROBENZOL|p-Chloronitrobenzene|p-Nitrochloorbenzeen|p-Nitrochlorobenzene|p-Nitrochlorobenzol|p-Nitroclorobenzene|p-Nitrophenyl chloride|para-Nitroclorobenzene|UNII-CVL66U249D https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020281 https://doi.org/10.22427/NTP-DATA-DTXSID5020281
ARPathway2016 ARPathway2016_390 1-Chloro-4-nitrobenzene 100-00-5 DTXSID5020281 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)C1=CC=C(Cl)C=C1 1-Chloro-4-nitrobenzene 100-00-5|1-Chloro-4-nitrobenzene|1-Chloor-4-nitrobenzeen|1-Chlor-4-nitrobenzol|1-cloro-4-nitrobenceno|1-Cloro-4-nitrobenzene|1-Nitro-4-chlorobenzene|4-Chloro-1-nitrobenzene|4-Chloronitrobenzene|4-Nitro-1-chlorobenzene|4-Nitrochlorobenzene|4-Nitrophenyl chloride|Benzene, 1-chloro-4-nitro-|EINECS 202-809-6|NSC 9792|P-CHLORNITROBENZOL|p-Chloronitrobenzene|p-Nitrochloorbenzeen|p-Nitrochlorobenzene|p-Nitrochlorobenzol|p-Nitroclorobenzene|p-Nitrophenyl chloride|para-Nitroclorobenzene|UNII-CVL66U249D https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020281 https://doi.org/10.22427/NTP-DATA-DTXSID5020281
ARPathway2016 ARPathway2016_390 1-Chloro-4-nitrobenzene 100-00-5 DTXSID5020281 0.0 AR Pathway Model, Agonist Call Inactive Unitless [O-][N+](=O)C1=CC=C(Cl)C=C1 1-Chloro-4-nitrobenzene 100-00-5|1-Chloro-4-nitrobenzene|1-Chloor-4-nitrobenzeen|1-Chlor-4-nitrobenzol|1-cloro-4-nitrobenceno|1-Cloro-4-nitrobenzene|1-Nitro-4-chlorobenzene|4-Chloro-1-nitrobenzene|4-Chloronitrobenzene|4-Nitro-1-chlorobenzene|4-Nitrochlorobenzene|4-Nitrophenyl chloride|Benzene, 1-chloro-4-nitro-|EINECS 202-809-6|NSC 9792|P-CHLORNITROBENZOL|p-Chloronitrobenzene|p-Nitrochloorbenzeen|p-Nitrochlorobenzene|p-Nitrochlorobenzol|p-Nitroclorobenzene|p-Nitrophenyl chloride|para-Nitroclorobenzene|UNII-CVL66U249D https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020281 https://doi.org/10.22427/NTP-DATA-DTXSID5020281
ARPathway2016 ARPathway2016_390 1-Chloro-4-nitrobenzene 100-00-5 DTXSID5020281 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=CC=C(Cl)C=C1 1-Chloro-4-nitrobenzene 100-00-5|1-Chloro-4-nitrobenzene|1-Chloor-4-nitrobenzeen|1-Chlor-4-nitrobenzol|1-cloro-4-nitrobenceno|1-Cloro-4-nitrobenzene|1-Nitro-4-chlorobenzene|4-Chloro-1-nitrobenzene|4-Chloronitrobenzene|4-Nitro-1-chlorobenzene|4-Nitrochlorobenzene|4-Nitrophenyl chloride|Benzene, 1-chloro-4-nitro-|EINECS 202-809-6|NSC 9792|P-CHLORNITROBENZOL|p-Chloronitrobenzene|p-Nitrochloorbenzeen|p-Nitrochlorobenzene|p-Nitrochlorobenzol|p-Nitroclorobenzene|p-Nitrophenyl chloride|para-Nitroclorobenzene|UNII-CVL66U249D https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020281 https://doi.org/10.22427/NTP-DATA-DTXSID5020281
ERPathway2016 ERPathway2016_1051 1-Chloro-4-nitrobenzene 100-00-5 DTXSID5020281 ER Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)C1=CC=C(Cl)C=C1 1-Chloro-4-nitrobenzene 100-00-5|1-Chloro-4-nitrobenzene|1-Chloor-4-nitrobenzeen|1-Chlor-4-nitrobenzol|1-cloro-4-nitrobenceno|1-Cloro-4-nitrobenzene|1-Nitro-4-chlorobenzene|4-Chloro-1-nitrobenzene|4-Chloronitrobenzene|4-Nitro-1-chlorobenzene|4-Nitrochlorobenzene|4-Nitrophenyl chloride|Benzene, 1-chloro-4-nitro-|EINECS 202-809-6|NSC 9792|P-CHLORNITROBENZOL|p-Chloronitrobenzene|p-Nitrochloorbenzeen|p-Nitrochlorobenzene|p-Nitrochlorobenzol|p-Nitroclorobenzene|p-Nitrophenyl chloride|para-Nitroclorobenzene|UNII-CVL66U249D https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020281 https://doi.org/10.22427/NTP-DATA-DTXSID5020281
ERPathway2016 ERPathway2016_1051 1-Chloro-4-nitrobenzene 100-00-5 DTXSID5020281 ER Pathway Model, Antagonist Model Score 0 Unitless [O-][N+](=O)C1=CC=C(Cl)C=C1 1-Chloro-4-nitrobenzene 100-00-5|1-Chloro-4-nitrobenzene|1-Chloor-4-nitrobenzeen|1-Chlor-4-nitrobenzol|1-cloro-4-nitrobenceno|1-Cloro-4-nitrobenzene|1-Nitro-4-chlorobenzene|4-Chloro-1-nitrobenzene|4-Chloronitrobenzene|4-Nitro-1-chlorobenzene|4-Nitrochlorobenzene|4-Nitrophenyl chloride|Benzene, 1-chloro-4-nitro-|EINECS 202-809-6|NSC 9792|P-CHLORNITROBENZOL|p-Chloronitrobenzene|p-Nitrochloorbenzeen|p-Nitrochlorobenzene|p-Nitrochlorobenzol|p-Nitroclorobenzene|p-Nitrophenyl chloride|para-Nitroclorobenzene|UNII-CVL66U249D https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020281 https://doi.org/10.22427/NTP-DATA-DTXSID5020281
ERPathway2016 ERPathway2016_1051 1-Chloro-4-nitrobenzene 100-00-5 DTXSID5020281 ER Pathway Model, Agonist Call Inactive Unitless [O-][N+](=O)C1=CC=C(Cl)C=C1 1-Chloro-4-nitrobenzene 100-00-5|1-Chloro-4-nitrobenzene|1-Chloor-4-nitrobenzeen|1-Chlor-4-nitrobenzol|1-cloro-4-nitrobenceno|1-Cloro-4-nitrobenzene|1-Nitro-4-chlorobenzene|4-Chloro-1-nitrobenzene|4-Chloronitrobenzene|4-Nitro-1-chlorobenzene|4-Nitrochlorobenzene|4-Nitrophenyl chloride|Benzene, 1-chloro-4-nitro-|EINECS 202-809-6|NSC 9792|P-CHLORNITROBENZOL|p-Chloronitrobenzene|p-Nitrochloorbenzeen|p-Nitrochlorobenzene|p-Nitrochlorobenzol|p-Nitroclorobenzene|p-Nitrophenyl chloride|para-Nitroclorobenzene|UNII-CVL66U249D https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020281 https://doi.org/10.22427/NTP-DATA-DTXSID5020281
ERPathway2016 ERPathway2016_1051 1-Chloro-4-nitrobenzene 100-00-5 DTXSID5020281 ER Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=CC=C(Cl)C=C1 1-Chloro-4-nitrobenzene 100-00-5|1-Chloro-4-nitrobenzene|1-Chloor-4-nitrobenzeen|1-Chlor-4-nitrobenzol|1-cloro-4-nitrobenceno|1-Cloro-4-nitrobenzene|1-Nitro-4-chlorobenzene|4-Chloro-1-nitrobenzene|4-Chloronitrobenzene|4-Nitro-1-chlorobenzene|4-Nitrochlorobenzene|4-Nitrophenyl chloride|Benzene, 1-chloro-4-nitro-|EINECS 202-809-6|NSC 9792|P-CHLORNITROBENZOL|p-Chloronitrobenzene|p-Nitrochloorbenzeen|p-Nitrochlorobenzene|p-Nitrochlorobenzol|p-Nitroclorobenzene|p-Nitrophenyl chloride|para-Nitroclorobenzene|UNII-CVL66U249D https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020281 https://doi.org/10.22427/NTP-DATA-DTXSID5020281
ARPathway2016 ARPathway2016_354 1-Decanamine 2016-57-1 DTXSID2022171 1.0 A9 AR Pathway Model, Antagonist ACC 40.31322545 uM CCCCCCCCCCN 1-Decanamine 2016-57-1|1-Decanamine|1-Aminodecane|1-Decylamine|4-04-00-00783|BRN 1735220|Decanamine|decilamina|Decylamin|Decylamine|Dodecane amine|EINECS 217-957-7|Kemamine P 190D|Monodecylamine|n-Decylamine|UNII-M9KKQ6ZZG9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022171
ARPathway2016 ARPathway2016_354 1-Decanamine 2016-57-1 DTXSID2022171 1.0 A9 AR Pathway Model, Antagonist AC50 47.46360863 uM CCCCCCCCCCN 1-Decanamine 2016-57-1|1-Decanamine|1-Aminodecane|1-Decylamine|4-04-00-00783|BRN 1735220|Decanamine|decilamina|Decylamin|Decylamine|Dodecane amine|EINECS 217-957-7|Kemamine P 190D|Monodecylamine|n-Decylamine|UNII-M9KKQ6ZZG9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022171
ARPathway2016 ARPathway2016_354 1-Decanamine 2016-57-1 DTXSID2022171 1.0 A9 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCN 1-Decanamine 2016-57-1|1-Decanamine|1-Aminodecane|1-Decylamine|4-04-00-00783|BRN 1735220|Decanamine|decilamina|Decylamin|Decylamine|Dodecane amine|EINECS 217-957-7|Kemamine P 190D|Monodecylamine|n-Decylamine|UNII-M9KKQ6ZZG9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022171
ARPathway2016 ARPathway2016_354 1-Decanamine 2016-57-1 DTXSID2022171 1.0 A9 AR Pathway Model, Agonist Model Score 0.0449 Unitless CCCCCCCCCCN 1-Decanamine 2016-57-1|1-Decanamine|1-Aminodecane|1-Decylamine|4-04-00-00783|BRN 1735220|Decanamine|decilamina|Decylamin|Decylamine|Dodecane amine|EINECS 217-957-7|Kemamine P 190D|Monodecylamine|n-Decylamine|UNII-M9KKQ6ZZG9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022171
ARPathway2016 ARPathway2016_354 1-Decanamine 2016-57-1 DTXSID2022171 1.0 A9 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCN 1-Decanamine 2016-57-1|1-Decanamine|1-Aminodecane|1-Decylamine|4-04-00-00783|BRN 1735220|Decanamine|decilamina|Decylamin|Decylamine|Dodecane amine|EINECS 217-957-7|Kemamine P 190D|Monodecylamine|n-Decylamine|UNII-M9KKQ6ZZG9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022171
ARPathway2016 ARPathway2016_354 1-Decanamine 2016-57-1 DTXSID2022171 1.0 A9 AR Pathway Model, Antagonist Call Active Unitless CCCCCCCCCCN 1-Decanamine 2016-57-1|1-Decanamine|1-Aminodecane|1-Decylamine|4-04-00-00783|BRN 1735220|Decanamine|decilamina|Decylamin|Decylamine|Dodecane amine|EINECS 217-957-7|Kemamine P 190D|Monodecylamine|n-Decylamine|UNII-M9KKQ6ZZG9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022171
ERPathway2016 ERPathway2016_745 1-Decanamine 2016-57-1 DTXSID2022171 A13 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCN 1-Decanamine 2016-57-1|1-Decanamine|1-Aminodecane|1-Decylamine|4-04-00-00783|BRN 1735220|Decanamine|decilamina|Decylamin|Decylamine|Dodecane amine|EINECS 217-957-7|Kemamine P 190D|Monodecylamine|n-Decylamine|UNII-M9KKQ6ZZG9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022171
ERPathway2016 ERPathway2016_745 1-Decanamine 2016-57-1 DTXSID2022171 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCN 1-Decanamine 2016-57-1|1-Decanamine|1-Aminodecane|1-Decylamine|4-04-00-00783|BRN 1735220|Decanamine|decilamina|Decylamin|Decylamine|Dodecane amine|EINECS 217-957-7|Kemamine P 190D|Monodecylamine|n-Decylamine|UNII-M9KKQ6ZZG9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022171
ERPathway2016 ERPathway2016_745 1-Decanamine 2016-57-1 DTXSID2022171 A13 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCN 1-Decanamine 2016-57-1|1-Decanamine|1-Aminodecane|1-Decylamine|4-04-00-00783|BRN 1735220|Decanamine|decilamina|Decylamin|Decylamine|Dodecane amine|EINECS 217-957-7|Kemamine P 190D|Monodecylamine|n-Decylamine|UNII-M9KKQ6ZZG9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022171
ERPathway2016 ERPathway2016_745 1-Decanamine 2016-57-1 DTXSID2022171 A13 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCN 1-Decanamine 2016-57-1|1-Decanamine|1-Aminodecane|1-Decylamine|4-04-00-00783|BRN 1735220|Decanamine|decilamina|Decylamin|Decylamine|Dodecane amine|EINECS 217-957-7|Kemamine P 190D|Monodecylamine|n-Decylamine|UNII-M9KKQ6ZZG9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022171
ARPathway2016 ARPathway2016_602 1-Decanol 112-30-1 DTXSID7021946 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCO 1-Decanol 112-30-1|1-Decanol|1-Decanol (ACD/Name 4.0)|1-Hydroxydecane|4-01-00-01815|Agent 504|Alcohol C-10|ALCOHOL C-10 (1-DECANOL)|Alcohol C10|Alfol 10|Antak|BRN 1735221|C 10 alcohol|C10 alcohol|Capric alcohol|Caprinic alcohol|Caswell No. 275A|decan-1-ol|decane-1-ol|Decanol|Decanol (van)|Decanol-(1)|DECYL ALCOHOL|Decyl N- alcohol|DECYL, N- ALCOHOL|Decylic alcohol|EINECS 203-956-9|EPA Pesticide Chemical Code 079038|Epal 10|Fatty alcohol(C10)|FEMA No. 2365|FEMA Number 2365|Kalcohl 1098|Kalcohl 10H|Kalcol 1098|Lorol C10|n-decan-1-ol|n-Decanol|n-Decatyl alcohol|n-Decyl alcohol|n-Nonylcarbinol|Nacol 10-99|Nonyl acarbinol|Nonylcarbinol|NSC 406313|Panorama|Paranol|Primary decyl alcohol|Royaltac|Royaltac M-2|Royaltac-85|T-148|UNII-89V4LX791F https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021946
ARPathway2016 ARPathway2016_602 1-Decanol 112-30-1 DTXSID7021946 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCO 1-Decanol 112-30-1|1-Decanol|1-Decanol (ACD/Name 4.0)|1-Hydroxydecane|4-01-00-01815|Agent 504|Alcohol C-10|ALCOHOL C-10 (1-DECANOL)|Alcohol C10|Alfol 10|Antak|BRN 1735221|C 10 alcohol|C10 alcohol|Capric alcohol|Caprinic alcohol|Caswell No. 275A|decan-1-ol|decane-1-ol|Decanol|Decanol (van)|Decanol-(1)|DECYL ALCOHOL|Decyl N- alcohol|DECYL, N- ALCOHOL|Decylic alcohol|EINECS 203-956-9|EPA Pesticide Chemical Code 079038|Epal 10|Fatty alcohol(C10)|FEMA No. 2365|FEMA Number 2365|Kalcohl 1098|Kalcohl 10H|Kalcol 1098|Lorol C10|n-decan-1-ol|n-Decanol|n-Decatyl alcohol|n-Decyl alcohol|n-Nonylcarbinol|Nacol 10-99|Nonyl acarbinol|Nonylcarbinol|NSC 406313|Panorama|Paranol|Primary decyl alcohol|Royaltac|Royaltac M-2|Royaltac-85|T-148|UNII-89V4LX791F https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021946
ARPathway2016 ARPathway2016_602 1-Decanol 112-30-1 DTXSID7021946 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCO 1-Decanol 112-30-1|1-Decanol|1-Decanol (ACD/Name 4.0)|1-Hydroxydecane|4-01-00-01815|Agent 504|Alcohol C-10|ALCOHOL C-10 (1-DECANOL)|Alcohol C10|Alfol 10|Antak|BRN 1735221|C 10 alcohol|C10 alcohol|Capric alcohol|Caprinic alcohol|Caswell No. 275A|decan-1-ol|decane-1-ol|Decanol|Decanol (van)|Decanol-(1)|DECYL ALCOHOL|Decyl N- alcohol|DECYL, N- ALCOHOL|Decylic alcohol|EINECS 203-956-9|EPA Pesticide Chemical Code 079038|Epal 10|Fatty alcohol(C10)|FEMA No. 2365|FEMA Number 2365|Kalcohl 1098|Kalcohl 10H|Kalcol 1098|Lorol C10|n-decan-1-ol|n-Decanol|n-Decatyl alcohol|n-Decyl alcohol|n-Nonylcarbinol|Nacol 10-99|Nonyl acarbinol|Nonylcarbinol|NSC 406313|Panorama|Paranol|Primary decyl alcohol|Royaltac|Royaltac M-2|Royaltac-85|T-148|UNII-89V4LX791F https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021946
ARPathway2016 ARPathway2016_602 1-Decanol 112-30-1 DTXSID7021946 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCO 1-Decanol 112-30-1|1-Decanol|1-Decanol (ACD/Name 4.0)|1-Hydroxydecane|4-01-00-01815|Agent 504|Alcohol C-10|ALCOHOL C-10 (1-DECANOL)|Alcohol C10|Alfol 10|Antak|BRN 1735221|C 10 alcohol|C10 alcohol|Capric alcohol|Caprinic alcohol|Caswell No. 275A|decan-1-ol|decane-1-ol|Decanol|Decanol (van)|Decanol-(1)|DECYL ALCOHOL|Decyl N- alcohol|DECYL, N- ALCOHOL|Decylic alcohol|EINECS 203-956-9|EPA Pesticide Chemical Code 079038|Epal 10|Fatty alcohol(C10)|FEMA No. 2365|FEMA Number 2365|Kalcohl 1098|Kalcohl 10H|Kalcol 1098|Lorol C10|n-decan-1-ol|n-Decanol|n-Decatyl alcohol|n-Decyl alcohol|n-Nonylcarbinol|Nacol 10-99|Nonyl acarbinol|Nonylcarbinol|NSC 406313|Panorama|Paranol|Primary decyl alcohol|Royaltac|Royaltac M-2|Royaltac-85|T-148|UNII-89V4LX791F https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021946
ERPathway2016 ERPathway2016_1171 1-Decanol 112-30-1 DTXSID7021946 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCO 1-Decanol 112-30-1|1-Decanol|1-Decanol (ACD/Name 4.0)|1-Hydroxydecane|4-01-00-01815|Agent 504|Alcohol C-10|ALCOHOL C-10 (1-DECANOL)|Alcohol C10|Alfol 10|Antak|BRN 1735221|C 10 alcohol|C10 alcohol|Capric alcohol|Caprinic alcohol|Caswell No. 275A|decan-1-ol|decane-1-ol|Decanol|Decanol (van)|Decanol-(1)|DECYL ALCOHOL|Decyl N- alcohol|DECYL, N- ALCOHOL|Decylic alcohol|EINECS 203-956-9|EPA Pesticide Chemical Code 079038|Epal 10|Fatty alcohol(C10)|FEMA No. 2365|FEMA Number 2365|Kalcohl 1098|Kalcohl 10H|Kalcol 1098|Lorol C10|n-decan-1-ol|n-Decanol|n-Decatyl alcohol|n-Decyl alcohol|n-Nonylcarbinol|Nacol 10-99|Nonyl acarbinol|Nonylcarbinol|NSC 406313|Panorama|Paranol|Primary decyl alcohol|Royaltac|Royaltac M-2|Royaltac-85|T-148|UNII-89V4LX791F https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021946
ERPathway2016 ERPathway2016_1171 1-Decanol 112-30-1 DTXSID7021946 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCO 1-Decanol 112-30-1|1-Decanol|1-Decanol (ACD/Name 4.0)|1-Hydroxydecane|4-01-00-01815|Agent 504|Alcohol C-10|ALCOHOL C-10 (1-DECANOL)|Alcohol C10|Alfol 10|Antak|BRN 1735221|C 10 alcohol|C10 alcohol|Capric alcohol|Caprinic alcohol|Caswell No. 275A|decan-1-ol|decane-1-ol|Decanol|Decanol (van)|Decanol-(1)|DECYL ALCOHOL|Decyl N- alcohol|DECYL, N- ALCOHOL|Decylic alcohol|EINECS 203-956-9|EPA Pesticide Chemical Code 079038|Epal 10|Fatty alcohol(C10)|FEMA No. 2365|FEMA Number 2365|Kalcohl 1098|Kalcohl 10H|Kalcol 1098|Lorol C10|n-decan-1-ol|n-Decanol|n-Decatyl alcohol|n-Decyl alcohol|n-Nonylcarbinol|Nacol 10-99|Nonyl acarbinol|Nonylcarbinol|NSC 406313|Panorama|Paranol|Primary decyl alcohol|Royaltac|Royaltac M-2|Royaltac-85|T-148|UNII-89V4LX791F https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021946
ERPathway2016 ERPathway2016_1171 1-Decanol 112-30-1 DTXSID7021946 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCO 1-Decanol 112-30-1|1-Decanol|1-Decanol (ACD/Name 4.0)|1-Hydroxydecane|4-01-00-01815|Agent 504|Alcohol C-10|ALCOHOL C-10 (1-DECANOL)|Alcohol C10|Alfol 10|Antak|BRN 1735221|C 10 alcohol|C10 alcohol|Capric alcohol|Caprinic alcohol|Caswell No. 275A|decan-1-ol|decane-1-ol|Decanol|Decanol (van)|Decanol-(1)|DECYL ALCOHOL|Decyl N- alcohol|DECYL, N- ALCOHOL|Decylic alcohol|EINECS 203-956-9|EPA Pesticide Chemical Code 079038|Epal 10|Fatty alcohol(C10)|FEMA No. 2365|FEMA Number 2365|Kalcohl 1098|Kalcohl 10H|Kalcol 1098|Lorol C10|n-decan-1-ol|n-Decanol|n-Decatyl alcohol|n-Decyl alcohol|n-Nonylcarbinol|Nacol 10-99|Nonyl acarbinol|Nonylcarbinol|NSC 406313|Panorama|Paranol|Primary decyl alcohol|Royaltac|Royaltac M-2|Royaltac-85|T-148|UNII-89V4LX791F https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021946
ERPathway2016 ERPathway2016_1171 1-Decanol 112-30-1 DTXSID7021946 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCO 1-Decanol 112-30-1|1-Decanol|1-Decanol (ACD/Name 4.0)|1-Hydroxydecane|4-01-00-01815|Agent 504|Alcohol C-10|ALCOHOL C-10 (1-DECANOL)|Alcohol C10|Alfol 10|Antak|BRN 1735221|C 10 alcohol|C10 alcohol|Capric alcohol|Caprinic alcohol|Caswell No. 275A|decan-1-ol|decane-1-ol|Decanol|Decanol (van)|Decanol-(1)|DECYL ALCOHOL|Decyl N- alcohol|DECYL, N- ALCOHOL|Decylic alcohol|EINECS 203-956-9|EPA Pesticide Chemical Code 079038|Epal 10|Fatty alcohol(C10)|FEMA No. 2365|FEMA Number 2365|Kalcohl 1098|Kalcohl 10H|Kalcol 1098|Lorol C10|n-decan-1-ol|n-Decanol|n-Decatyl alcohol|n-Decyl alcohol|n-Nonylcarbinol|Nacol 10-99|Nonyl acarbinol|Nonylcarbinol|NSC 406313|Panorama|Paranol|Primary decyl alcohol|Royaltac|Royaltac M-2|Royaltac-85|T-148|UNII-89V4LX791F https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021946
ARPathway2016 ARPathway2016_735 1-Dodecanamine 124-22-1 DTXSID3021984 1.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCN 1-Dodecanamine 124-22-1|1-Dodecanamine|1-Aminododecane|1-Dodecylamine|4-04-00-00794|Amine BB|BRN 1633576|DODECAN-1-AMINE|dodecilamina|Dodecylamin|Dodecylamine|EINECS 204-690-6|Kemamine P 690|Kemamine P690|Lauramine|Laurinamine|Laurylamine|Monododecylamine|Monolaurylamine|n-Dodecylamine|n-Laurylamine|Nissan Amine BB|UNII-YWY9OD6A2K|126162-08-1|27177-40-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021984
ARPathway2016 ARPathway2016_735 1-Dodecanamine 124-22-1 DTXSID3021984 1.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCN 1-Dodecanamine 124-22-1|1-Dodecanamine|1-Aminododecane|1-Dodecylamine|4-04-00-00794|Amine BB|BRN 1633576|DODECAN-1-AMINE|dodecilamina|Dodecylamin|Dodecylamine|EINECS 204-690-6|Kemamine P 690|Kemamine P690|Lauramine|Laurinamine|Laurylamine|Monododecylamine|Monolaurylamine|n-Dodecylamine|n-Laurylamine|Nissan Amine BB|UNII-YWY9OD6A2K|126162-08-1|27177-40-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021984
ARPathway2016 ARPathway2016_735 1-Dodecanamine 124-22-1 DTXSID3021984 1.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCN 1-Dodecanamine 124-22-1|1-Dodecanamine|1-Aminododecane|1-Dodecylamine|4-04-00-00794|Amine BB|BRN 1633576|DODECAN-1-AMINE|dodecilamina|Dodecylamin|Dodecylamine|EINECS 204-690-6|Kemamine P 690|Kemamine P690|Lauramine|Laurinamine|Laurylamine|Monododecylamine|Monolaurylamine|n-Dodecylamine|n-Laurylamine|Nissan Amine BB|UNII-YWY9OD6A2K|126162-08-1|27177-40-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021984
ARPathway2016 ARPathway2016_735 1-Dodecanamine 124-22-1 DTXSID3021984 1.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCN 1-Dodecanamine 124-22-1|1-Dodecanamine|1-Aminododecane|1-Dodecylamine|4-04-00-00794|Amine BB|BRN 1633576|DODECAN-1-AMINE|dodecilamina|Dodecylamin|Dodecylamine|EINECS 204-690-6|Kemamine P 690|Kemamine P690|Lauramine|Laurinamine|Laurylamine|Monododecylamine|Monolaurylamine|n-Dodecylamine|n-Laurylamine|Nissan Amine BB|UNII-YWY9OD6A2K|126162-08-1|27177-40-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021984
ERPathway2016 ERPathway2016_213 1-Dodecanamine 124-22-1 DTXSID3021984 Agonist ER Pathway Model, Antagonist AC50 5.3681313061409 uM CCCCCCCCCCCCN 1-Dodecanamine 124-22-1|1-Dodecanamine|1-Aminododecane|1-Dodecylamine|4-04-00-00794|Amine BB|BRN 1633576|DODECAN-1-AMINE|dodecilamina|Dodecylamin|Dodecylamine|EINECS 204-690-6|Kemamine P 690|Kemamine P690|Lauramine|Laurinamine|Laurylamine|Monododecylamine|Monolaurylamine|n-Dodecylamine|n-Laurylamine|Nissan Amine BB|UNII-YWY9OD6A2K|126162-08-1|27177-40-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021984
ERPathway2016 ERPathway2016_213 1-Dodecanamine 124-22-1 DTXSID3021984 Agonist ER Pathway Model, Antagonist ACC 4.19664012859129 uM CCCCCCCCCCCCN 1-Dodecanamine 124-22-1|1-Dodecanamine|1-Aminododecane|1-Dodecylamine|4-04-00-00794|Amine BB|BRN 1633576|DODECAN-1-AMINE|dodecilamina|Dodecylamin|Dodecylamine|EINECS 204-690-6|Kemamine P 690|Kemamine P690|Lauramine|Laurinamine|Laurylamine|Monododecylamine|Monolaurylamine|n-Dodecylamine|n-Laurylamine|Nissan Amine BB|UNII-YWY9OD6A2K|126162-08-1|27177-40-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021984
ERPathway2016 ERPathway2016_213 1-Dodecanamine 124-22-1 DTXSID3021984 Agonist ER Pathway Model, Agonist Model Score 0.149 Unitless CCCCCCCCCCCCN 1-Dodecanamine 124-22-1|1-Dodecanamine|1-Aminododecane|1-Dodecylamine|4-04-00-00794|Amine BB|BRN 1633576|DODECAN-1-AMINE|dodecilamina|Dodecylamin|Dodecylamine|EINECS 204-690-6|Kemamine P 690|Kemamine P690|Lauramine|Laurinamine|Laurylamine|Monododecylamine|Monolaurylamine|n-Dodecylamine|n-Laurylamine|Nissan Amine BB|UNII-YWY9OD6A2K|126162-08-1|27177-40-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021984
ERPathway2016 ERPathway2016_213 1-Dodecanamine 124-22-1 DTXSID3021984 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCN 1-Dodecanamine 124-22-1|1-Dodecanamine|1-Aminododecane|1-Dodecylamine|4-04-00-00794|Amine BB|BRN 1633576|DODECAN-1-AMINE|dodecilamina|Dodecylamin|Dodecylamine|EINECS 204-690-6|Kemamine P 690|Kemamine P690|Lauramine|Laurinamine|Laurylamine|Monododecylamine|Monolaurylamine|n-Dodecylamine|n-Laurylamine|Nissan Amine BB|UNII-YWY9OD6A2K|126162-08-1|27177-40-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021984
ERPathway2016 ERPathway2016_213 1-Dodecanamine 124-22-1 DTXSID3021984 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCN 1-Dodecanamine 124-22-1|1-Dodecanamine|1-Aminododecane|1-Dodecylamine|4-04-00-00794|Amine BB|BRN 1633576|DODECAN-1-AMINE|dodecilamina|Dodecylamin|Dodecylamine|EINECS 204-690-6|Kemamine P 690|Kemamine P690|Lauramine|Laurinamine|Laurylamine|Monododecylamine|Monolaurylamine|n-Dodecylamine|n-Laurylamine|Nissan Amine BB|UNII-YWY9OD6A2K|126162-08-1|27177-40-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021984
ERPathway2016 ERPathway2016_213 1-Dodecanamine 124-22-1 DTXSID3021984 Agonist ER Pathway Model, Antagonist Call Active Unitless CCCCCCCCCCCCN 1-Dodecanamine 124-22-1|1-Dodecanamine|1-Aminododecane|1-Dodecylamine|4-04-00-00794|Amine BB|BRN 1633576|DODECAN-1-AMINE|dodecilamina|Dodecylamin|Dodecylamine|EINECS 204-690-6|Kemamine P 690|Kemamine P690|Lauramine|Laurinamine|Laurylamine|Monododecylamine|Monolaurylamine|n-Dodecylamine|n-Laurylamine|Nissan Amine BB|UNII-YWY9OD6A2K|126162-08-1|27177-40-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021984
ARPathway2016 ARPathway2016_613 1-Dodecanethiol 112-55-0 DTXSID6025220 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCS 1-Dodecanethiol 112-55-0|1-Dodecanethiol|1-DODECANTHIOL|1-Dodecyl mercaptan|1-Dodecylthiol|1-Mercaptododecane|BRN 0969337|Dodecan-1-thiol|Dodecane-1-thiol|DODECANE, 1-MERCAPTO|Dodecanethiol|dodecano-1-tiol|Dodecyl mercaptan|EINECS 203-984-1|Lauryl mercaptan|Lauryl mercaptide|M-Dodecyl mercaptan|M-Lauryl mercaptan|n-Dodecanethiol|N-DODECYL MERCAPTAN|n-Dodecylmercaptan|n-Dodecylthiol|n-Lauryl mercaptan|NCI-C60935|NSC 814|Pennfloat M|Pennfloat S|Thiokalcohl 20|Thiokalcol 20|UNII-S8ZJB6X253 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025220 https://doi.org/10.22427/NTP-DATA-DTXSID6025220
ARPathway2016 ARPathway2016_613 1-Dodecanethiol 112-55-0 DTXSID6025220 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCS 1-Dodecanethiol 112-55-0|1-Dodecanethiol|1-DODECANTHIOL|1-Dodecyl mercaptan|1-Dodecylthiol|1-Mercaptododecane|BRN 0969337|Dodecan-1-thiol|Dodecane-1-thiol|DODECANE, 1-MERCAPTO|Dodecanethiol|dodecano-1-tiol|Dodecyl mercaptan|EINECS 203-984-1|Lauryl mercaptan|Lauryl mercaptide|M-Dodecyl mercaptan|M-Lauryl mercaptan|n-Dodecanethiol|N-DODECYL MERCAPTAN|n-Dodecylmercaptan|n-Dodecylthiol|n-Lauryl mercaptan|NCI-C60935|NSC 814|Pennfloat M|Pennfloat S|Thiokalcohl 20|Thiokalcol 20|UNII-S8ZJB6X253 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025220 https://doi.org/10.22427/NTP-DATA-DTXSID6025220
ARPathway2016 ARPathway2016_613 1-Dodecanethiol 112-55-0 DTXSID6025220 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCS 1-Dodecanethiol 112-55-0|1-Dodecanethiol|1-DODECANTHIOL|1-Dodecyl mercaptan|1-Dodecylthiol|1-Mercaptododecane|BRN 0969337|Dodecan-1-thiol|Dodecane-1-thiol|DODECANE, 1-MERCAPTO|Dodecanethiol|dodecano-1-tiol|Dodecyl mercaptan|EINECS 203-984-1|Lauryl mercaptan|Lauryl mercaptide|M-Dodecyl mercaptan|M-Lauryl mercaptan|n-Dodecanethiol|N-DODECYL MERCAPTAN|n-Dodecylmercaptan|n-Dodecylthiol|n-Lauryl mercaptan|NCI-C60935|NSC 814|Pennfloat M|Pennfloat S|Thiokalcohl 20|Thiokalcol 20|UNII-S8ZJB6X253 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025220 https://doi.org/10.22427/NTP-DATA-DTXSID6025220
ARPathway2016 ARPathway2016_613 1-Dodecanethiol 112-55-0 DTXSID6025220 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCS 1-Dodecanethiol 112-55-0|1-Dodecanethiol|1-DODECANTHIOL|1-Dodecyl mercaptan|1-Dodecylthiol|1-Mercaptododecane|BRN 0969337|Dodecan-1-thiol|Dodecane-1-thiol|DODECANE, 1-MERCAPTO|Dodecanethiol|dodecano-1-tiol|Dodecyl mercaptan|EINECS 203-984-1|Lauryl mercaptan|Lauryl mercaptide|M-Dodecyl mercaptan|M-Lauryl mercaptan|n-Dodecanethiol|N-DODECYL MERCAPTAN|n-Dodecylmercaptan|n-Dodecylthiol|n-Lauryl mercaptan|NCI-C60935|NSC 814|Pennfloat M|Pennfloat S|Thiokalcohl 20|Thiokalcol 20|UNII-S8ZJB6X253 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025220 https://doi.org/10.22427/NTP-DATA-DTXSID6025220
ERPathway2016 ERPathway2016_1178 1-Dodecanethiol 112-55-0 DTXSID6025220 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCS 1-Dodecanethiol 112-55-0|1-Dodecanethiol|1-DODECANTHIOL|1-Dodecyl mercaptan|1-Dodecylthiol|1-Mercaptododecane|BRN 0969337|Dodecan-1-thiol|Dodecane-1-thiol|DODECANE, 1-MERCAPTO|Dodecanethiol|dodecano-1-tiol|Dodecyl mercaptan|EINECS 203-984-1|Lauryl mercaptan|Lauryl mercaptide|M-Dodecyl mercaptan|M-Lauryl mercaptan|n-Dodecanethiol|N-DODECYL MERCAPTAN|n-Dodecylmercaptan|n-Dodecylthiol|n-Lauryl mercaptan|NCI-C60935|NSC 814|Pennfloat M|Pennfloat S|Thiokalcohl 20|Thiokalcol 20|UNII-S8ZJB6X253 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025220 https://doi.org/10.22427/NTP-DATA-DTXSID6025220
ERPathway2016 ERPathway2016_1178 1-Dodecanethiol 112-55-0 DTXSID6025220 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCS 1-Dodecanethiol 112-55-0|1-Dodecanethiol|1-DODECANTHIOL|1-Dodecyl mercaptan|1-Dodecylthiol|1-Mercaptododecane|BRN 0969337|Dodecan-1-thiol|Dodecane-1-thiol|DODECANE, 1-MERCAPTO|Dodecanethiol|dodecano-1-tiol|Dodecyl mercaptan|EINECS 203-984-1|Lauryl mercaptan|Lauryl mercaptide|M-Dodecyl mercaptan|M-Lauryl mercaptan|n-Dodecanethiol|N-DODECYL MERCAPTAN|n-Dodecylmercaptan|n-Dodecylthiol|n-Lauryl mercaptan|NCI-C60935|NSC 814|Pennfloat M|Pennfloat S|Thiokalcohl 20|Thiokalcol 20|UNII-S8ZJB6X253 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025220 https://doi.org/10.22427/NTP-DATA-DTXSID6025220
ERPathway2016 ERPathway2016_1178 1-Dodecanethiol 112-55-0 DTXSID6025220 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCS 1-Dodecanethiol 112-55-0|1-Dodecanethiol|1-DODECANTHIOL|1-Dodecyl mercaptan|1-Dodecylthiol|1-Mercaptododecane|BRN 0969337|Dodecan-1-thiol|Dodecane-1-thiol|DODECANE, 1-MERCAPTO|Dodecanethiol|dodecano-1-tiol|Dodecyl mercaptan|EINECS 203-984-1|Lauryl mercaptan|Lauryl mercaptide|M-Dodecyl mercaptan|M-Lauryl mercaptan|n-Dodecanethiol|N-DODECYL MERCAPTAN|n-Dodecylmercaptan|n-Dodecylthiol|n-Lauryl mercaptan|NCI-C60935|NSC 814|Pennfloat M|Pennfloat S|Thiokalcohl 20|Thiokalcol 20|UNII-S8ZJB6X253 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025220 https://doi.org/10.22427/NTP-DATA-DTXSID6025220
ERPathway2016 ERPathway2016_1178 1-Dodecanethiol 112-55-0 DTXSID6025220 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCS 1-Dodecanethiol 112-55-0|1-Dodecanethiol|1-DODECANTHIOL|1-Dodecyl mercaptan|1-Dodecylthiol|1-Mercaptododecane|BRN 0969337|Dodecan-1-thiol|Dodecane-1-thiol|DODECANE, 1-MERCAPTO|Dodecanethiol|dodecano-1-tiol|Dodecyl mercaptan|EINECS 203-984-1|Lauryl mercaptan|Lauryl mercaptide|M-Dodecyl mercaptan|M-Lauryl mercaptan|n-Dodecanethiol|N-DODECYL MERCAPTAN|n-Dodecylmercaptan|n-Dodecylthiol|n-Lauryl mercaptan|NCI-C60935|NSC 814|Pennfloat M|Pennfloat S|Thiokalcohl 20|Thiokalcol 20|UNII-S8ZJB6X253 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025220 https://doi.org/10.22427/NTP-DATA-DTXSID6025220
ARPathway2016 ARPathway2016_612 1-Dodecanol 112-53-8 DTXSID5026918 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCO 1-Dodecanol 112-53-8|1-Dodecanol|1-Dodecyl alcohol|1-Hydroxydodecane|203-982-0|4-01-00-01844|Alcohol C-12|Alfol 12|BRN 1738860|C12 alcohol|Cachalot L-50|Cachalot L-90|Co-1214S1-dodecanol|Dodecan-1-ol|dodecane-1-ol|Dodecanol-1|Dodecyl alcohol|Dodecylalcohol|Duodecyl alcohol|Dytol j-68|EC No.: 203-982-0|EINECS 203-982-0|Epal 12|Exxal 12|Fatty alcohol|Fatty alcohol(C12)|FEMA No. 2617|Hainol 12SS|Hydroxydodecane|Kalcohl 2098|Kalcol 2098|Karukoru 20|Lauric alcohol|Laurinic alcohol|Lauroyl alcohol|Lauryl 24|Lauryl alcohol|Lipocol L|Lorol|Lorol 11|Lorol 5|Lorol 7|Lorol C 12/98|Lorol C12|Lorol C12-C14|Lorol C8-C10 special|Lorol special|n-Dodecan-1-ol|n-Dodecyl alcohol|n-Lauryl alcohol|n-Lauryl alcohol, primary|Nacol 12-96|NSC 3724|P.C. Code 001509|PC Code 001509|Philcohol 1200|Pisol|Sipol L12|Siponol 25|Siponol L 2|Siponol L 5|Siponol L5|Undecyl carbinol|UNII-178A96NLP2|1173838-88-4|1322-35-6|68855-55-0|8014-32-2|8032-08-4|8032-09-5|8032-10-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026918
ARPathway2016 ARPathway2016_612 1-Dodecanol 112-53-8 DTXSID5026918 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCO 1-Dodecanol 112-53-8|1-Dodecanol|1-Dodecyl alcohol|1-Hydroxydodecane|203-982-0|4-01-00-01844|Alcohol C-12|Alfol 12|BRN 1738860|C12 alcohol|Cachalot L-50|Cachalot L-90|Co-1214S1-dodecanol|Dodecan-1-ol|dodecane-1-ol|Dodecanol-1|Dodecyl alcohol|Dodecylalcohol|Duodecyl alcohol|Dytol j-68|EC No.: 203-982-0|EINECS 203-982-0|Epal 12|Exxal 12|Fatty alcohol|Fatty alcohol(C12)|FEMA No. 2617|Hainol 12SS|Hydroxydodecane|Kalcohl 2098|Kalcol 2098|Karukoru 20|Lauric alcohol|Laurinic alcohol|Lauroyl alcohol|Lauryl 24|Lauryl alcohol|Lipocol L|Lorol|Lorol 11|Lorol 5|Lorol 7|Lorol C 12/98|Lorol C12|Lorol C12-C14|Lorol C8-C10 special|Lorol special|n-Dodecan-1-ol|n-Dodecyl alcohol|n-Lauryl alcohol|n-Lauryl alcohol, primary|Nacol 12-96|NSC 3724|P.C. Code 001509|PC Code 001509|Philcohol 1200|Pisol|Sipol L12|Siponol 25|Siponol L 2|Siponol L 5|Siponol L5|Undecyl carbinol|UNII-178A96NLP2|1173838-88-4|1322-35-6|68855-55-0|8014-32-2|8032-08-4|8032-09-5|8032-10-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026918
ARPathway2016 ARPathway2016_612 1-Dodecanol 112-53-8 DTXSID5026918 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCO 1-Dodecanol 112-53-8|1-Dodecanol|1-Dodecyl alcohol|1-Hydroxydodecane|203-982-0|4-01-00-01844|Alcohol C-12|Alfol 12|BRN 1738860|C12 alcohol|Cachalot L-50|Cachalot L-90|Co-1214S1-dodecanol|Dodecan-1-ol|dodecane-1-ol|Dodecanol-1|Dodecyl alcohol|Dodecylalcohol|Duodecyl alcohol|Dytol j-68|EC No.: 203-982-0|EINECS 203-982-0|Epal 12|Exxal 12|Fatty alcohol|Fatty alcohol(C12)|FEMA No. 2617|Hainol 12SS|Hydroxydodecane|Kalcohl 2098|Kalcol 2098|Karukoru 20|Lauric alcohol|Laurinic alcohol|Lauroyl alcohol|Lauryl 24|Lauryl alcohol|Lipocol L|Lorol|Lorol 11|Lorol 5|Lorol 7|Lorol C 12/98|Lorol C12|Lorol C12-C14|Lorol C8-C10 special|Lorol special|n-Dodecan-1-ol|n-Dodecyl alcohol|n-Lauryl alcohol|n-Lauryl alcohol, primary|Nacol 12-96|NSC 3724|P.C. Code 001509|PC Code 001509|Philcohol 1200|Pisol|Sipol L12|Siponol 25|Siponol L 2|Siponol L 5|Siponol L5|Undecyl carbinol|UNII-178A96NLP2|1173838-88-4|1322-35-6|68855-55-0|8014-32-2|8032-08-4|8032-09-5|8032-10-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026918
ARPathway2016 ARPathway2016_612 1-Dodecanol 112-53-8 DTXSID5026918 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCO 1-Dodecanol 112-53-8|1-Dodecanol|1-Dodecyl alcohol|1-Hydroxydodecane|203-982-0|4-01-00-01844|Alcohol C-12|Alfol 12|BRN 1738860|C12 alcohol|Cachalot L-50|Cachalot L-90|Co-1214S1-dodecanol|Dodecan-1-ol|dodecane-1-ol|Dodecanol-1|Dodecyl alcohol|Dodecylalcohol|Duodecyl alcohol|Dytol j-68|EC No.: 203-982-0|EINECS 203-982-0|Epal 12|Exxal 12|Fatty alcohol|Fatty alcohol(C12)|FEMA No. 2617|Hainol 12SS|Hydroxydodecane|Kalcohl 2098|Kalcol 2098|Karukoru 20|Lauric alcohol|Laurinic alcohol|Lauroyl alcohol|Lauryl 24|Lauryl alcohol|Lipocol L|Lorol|Lorol 11|Lorol 5|Lorol 7|Lorol C 12/98|Lorol C12|Lorol C12-C14|Lorol C8-C10 special|Lorol special|n-Dodecan-1-ol|n-Dodecyl alcohol|n-Lauryl alcohol|n-Lauryl alcohol, primary|Nacol 12-96|NSC 3724|P.C. Code 001509|PC Code 001509|Philcohol 1200|Pisol|Sipol L12|Siponol 25|Siponol L 2|Siponol L 5|Siponol L5|Undecyl carbinol|UNII-178A96NLP2|1173838-88-4|1322-35-6|68855-55-0|8014-32-2|8032-08-4|8032-09-5|8032-10-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026918
ERPathway2016 ERPathway2016_1177 1-Dodecanol 112-53-8 DTXSID5026918 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCO 1-Dodecanol 112-53-8|1-Dodecanol|1-Dodecyl alcohol|1-Hydroxydodecane|203-982-0|4-01-00-01844|Alcohol C-12|Alfol 12|BRN 1738860|C12 alcohol|Cachalot L-50|Cachalot L-90|Co-1214S1-dodecanol|Dodecan-1-ol|dodecane-1-ol|Dodecanol-1|Dodecyl alcohol|Dodecylalcohol|Duodecyl alcohol|Dytol j-68|EC No.: 203-982-0|EINECS 203-982-0|Epal 12|Exxal 12|Fatty alcohol|Fatty alcohol(C12)|FEMA No. 2617|Hainol 12SS|Hydroxydodecane|Kalcohl 2098|Kalcol 2098|Karukoru 20|Lauric alcohol|Laurinic alcohol|Lauroyl alcohol|Lauryl 24|Lauryl alcohol|Lipocol L|Lorol|Lorol 11|Lorol 5|Lorol 7|Lorol C 12/98|Lorol C12|Lorol C12-C14|Lorol C8-C10 special|Lorol special|n-Dodecan-1-ol|n-Dodecyl alcohol|n-Lauryl alcohol|n-Lauryl alcohol, primary|Nacol 12-96|NSC 3724|P.C. Code 001509|PC Code 001509|Philcohol 1200|Pisol|Sipol L12|Siponol 25|Siponol L 2|Siponol L 5|Siponol L5|Undecyl carbinol|UNII-178A96NLP2|1173838-88-4|1322-35-6|68855-55-0|8014-32-2|8032-08-4|8032-09-5|8032-10-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026918
ERPathway2016 ERPathway2016_1177 1-Dodecanol 112-53-8 DTXSID5026918 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCO 1-Dodecanol 112-53-8|1-Dodecanol|1-Dodecyl alcohol|1-Hydroxydodecane|203-982-0|4-01-00-01844|Alcohol C-12|Alfol 12|BRN 1738860|C12 alcohol|Cachalot L-50|Cachalot L-90|Co-1214S1-dodecanol|Dodecan-1-ol|dodecane-1-ol|Dodecanol-1|Dodecyl alcohol|Dodecylalcohol|Duodecyl alcohol|Dytol j-68|EC No.: 203-982-0|EINECS 203-982-0|Epal 12|Exxal 12|Fatty alcohol|Fatty alcohol(C12)|FEMA No. 2617|Hainol 12SS|Hydroxydodecane|Kalcohl 2098|Kalcol 2098|Karukoru 20|Lauric alcohol|Laurinic alcohol|Lauroyl alcohol|Lauryl 24|Lauryl alcohol|Lipocol L|Lorol|Lorol 11|Lorol 5|Lorol 7|Lorol C 12/98|Lorol C12|Lorol C12-C14|Lorol C8-C10 special|Lorol special|n-Dodecan-1-ol|n-Dodecyl alcohol|n-Lauryl alcohol|n-Lauryl alcohol, primary|Nacol 12-96|NSC 3724|P.C. Code 001509|PC Code 001509|Philcohol 1200|Pisol|Sipol L12|Siponol 25|Siponol L 2|Siponol L 5|Siponol L5|Undecyl carbinol|UNII-178A96NLP2|1173838-88-4|1322-35-6|68855-55-0|8014-32-2|8032-08-4|8032-09-5|8032-10-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026918
ERPathway2016 ERPathway2016_1177 1-Dodecanol 112-53-8 DTXSID5026918 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCO 1-Dodecanol 112-53-8|1-Dodecanol|1-Dodecyl alcohol|1-Hydroxydodecane|203-982-0|4-01-00-01844|Alcohol C-12|Alfol 12|BRN 1738860|C12 alcohol|Cachalot L-50|Cachalot L-90|Co-1214S1-dodecanol|Dodecan-1-ol|dodecane-1-ol|Dodecanol-1|Dodecyl alcohol|Dodecylalcohol|Duodecyl alcohol|Dytol j-68|EC No.: 203-982-0|EINECS 203-982-0|Epal 12|Exxal 12|Fatty alcohol|Fatty alcohol(C12)|FEMA No. 2617|Hainol 12SS|Hydroxydodecane|Kalcohl 2098|Kalcol 2098|Karukoru 20|Lauric alcohol|Laurinic alcohol|Lauroyl alcohol|Lauryl 24|Lauryl alcohol|Lipocol L|Lorol|Lorol 11|Lorol 5|Lorol 7|Lorol C 12/98|Lorol C12|Lorol C12-C14|Lorol C8-C10 special|Lorol special|n-Dodecan-1-ol|n-Dodecyl alcohol|n-Lauryl alcohol|n-Lauryl alcohol, primary|Nacol 12-96|NSC 3724|P.C. Code 001509|PC Code 001509|Philcohol 1200|Pisol|Sipol L12|Siponol 25|Siponol L 2|Siponol L 5|Siponol L5|Undecyl carbinol|UNII-178A96NLP2|1173838-88-4|1322-35-6|68855-55-0|8014-32-2|8032-08-4|8032-09-5|8032-10-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026918
ERPathway2016 ERPathway2016_1177 1-Dodecanol 112-53-8 DTXSID5026918 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCO 1-Dodecanol 112-53-8|1-Dodecanol|1-Dodecyl alcohol|1-Hydroxydodecane|203-982-0|4-01-00-01844|Alcohol C-12|Alfol 12|BRN 1738860|C12 alcohol|Cachalot L-50|Cachalot L-90|Co-1214S1-dodecanol|Dodecan-1-ol|dodecane-1-ol|Dodecanol-1|Dodecyl alcohol|Dodecylalcohol|Duodecyl alcohol|Dytol j-68|EC No.: 203-982-0|EINECS 203-982-0|Epal 12|Exxal 12|Fatty alcohol|Fatty alcohol(C12)|FEMA No. 2617|Hainol 12SS|Hydroxydodecane|Kalcohl 2098|Kalcol 2098|Karukoru 20|Lauric alcohol|Laurinic alcohol|Lauroyl alcohol|Lauryl 24|Lauryl alcohol|Lipocol L|Lorol|Lorol 11|Lorol 5|Lorol 7|Lorol C 12/98|Lorol C12|Lorol C12-C14|Lorol C8-C10 special|Lorol special|n-Dodecan-1-ol|n-Dodecyl alcohol|n-Lauryl alcohol|n-Lauryl alcohol, primary|Nacol 12-96|NSC 3724|P.C. Code 001509|PC Code 001509|Philcohol 1200|Pisol|Sipol L12|Siponol 25|Siponol L 2|Siponol L 5|Siponol L5|Undecyl carbinol|UNII-178A96NLP2|1173838-88-4|1322-35-6|68855-55-0|8014-32-2|8032-08-4|8032-09-5|8032-10-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026918
ARPathway2016 ARPathway2016_134 1-Dodecyl-2-pyrrolidinone 2687-96-9 DTXSID4042206 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist AC50 117.892868514905 uM CCCCCCCCCCCCN1CCCC1=O 1-Dodecyl-2-pyrrolidinone 2687-96-9|1-Dodecyl-2-pyrrolidinone|BRN 0155011|N-Dodecylpyrrolidinone|N-Lauryl-2-pyrrolidone|UNII-3P14VW8FNY|1202470-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042206
ARPathway2016 ARPathway2016_134 1-Dodecyl-2-pyrrolidinone 2687-96-9 DTXSID4042206 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist ACC 75.2912585621506 uM CCCCCCCCCCCCN1CCCC1=O 1-Dodecyl-2-pyrrolidinone 2687-96-9|1-Dodecyl-2-pyrrolidinone|BRN 0155011|N-Dodecylpyrrolidinone|N-Lauryl-2-pyrrolidone|UNII-3P14VW8FNY|1202470-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042206
ARPathway2016 ARPathway2016_134 1-Dodecyl-2-pyrrolidinone 2687-96-9 DTXSID4042206 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0.0135 Unitless CCCCCCCCCCCCN1CCCC1=O 1-Dodecyl-2-pyrrolidinone 2687-96-9|1-Dodecyl-2-pyrrolidinone|BRN 0155011|N-Dodecylpyrrolidinone|N-Lauryl-2-pyrrolidone|UNII-3P14VW8FNY|1202470-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042206
ARPathway2016 ARPathway2016_134 1-Dodecyl-2-pyrrolidinone 2687-96-9 DTXSID4042206 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCN1CCCC1=O 1-Dodecyl-2-pyrrolidinone 2687-96-9|1-Dodecyl-2-pyrrolidinone|BRN 0155011|N-Dodecylpyrrolidinone|N-Lauryl-2-pyrrolidone|UNII-3P14VW8FNY|1202470-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042206
ARPathway2016 ARPathway2016_134 1-Dodecyl-2-pyrrolidinone 2687-96-9 DTXSID4042206 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Active Unitless CCCCCCCCCCCCN1CCCC1=O 1-Dodecyl-2-pyrrolidinone 2687-96-9|1-Dodecyl-2-pyrrolidinone|BRN 0155011|N-Dodecylpyrrolidinone|N-Lauryl-2-pyrrolidone|UNII-3P14VW8FNY|1202470-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042206
ARPathway2016 ARPathway2016_134 1-Dodecyl-2-pyrrolidinone 2687-96-9 DTXSID4042206 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCN1CCCC1=O 1-Dodecyl-2-pyrrolidinone 2687-96-9|1-Dodecyl-2-pyrrolidinone|BRN 0155011|N-Dodecylpyrrolidinone|N-Lauryl-2-pyrrolidone|UNII-3P14VW8FNY|1202470-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042206
ERPathway2016 ERPathway2016_610 1-Dodecyl-2-pyrrolidinone 2687-96-9 DTXSID4042206 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCN1CCCC1=O 1-Dodecyl-2-pyrrolidinone 2687-96-9|1-Dodecyl-2-pyrrolidinone|BRN 0155011|N-Dodecylpyrrolidinone|N-Lauryl-2-pyrrolidone|UNII-3P14VW8FNY|1202470-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042206
ERPathway2016 ERPathway2016_610 1-Dodecyl-2-pyrrolidinone 2687-96-9 DTXSID4042206 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCN1CCCC1=O 1-Dodecyl-2-pyrrolidinone 2687-96-9|1-Dodecyl-2-pyrrolidinone|BRN 0155011|N-Dodecylpyrrolidinone|N-Lauryl-2-pyrrolidone|UNII-3P14VW8FNY|1202470-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042206
ERPathway2016 ERPathway2016_610 1-Dodecyl-2-pyrrolidinone 2687-96-9 DTXSID4042206 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCN1CCCC1=O 1-Dodecyl-2-pyrrolidinone 2687-96-9|1-Dodecyl-2-pyrrolidinone|BRN 0155011|N-Dodecylpyrrolidinone|N-Lauryl-2-pyrrolidone|UNII-3P14VW8FNY|1202470-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042206
ERPathway2016 ERPathway2016_610 1-Dodecyl-2-pyrrolidinone 2687-96-9 DTXSID4042206 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCN1CCCC1=O 1-Dodecyl-2-pyrrolidinone 2687-96-9|1-Dodecyl-2-pyrrolidinone|BRN 0155011|N-Dodecylpyrrolidinone|N-Lauryl-2-pyrrolidone|UNII-3P14VW8FNY|1202470-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042206
ARPathway2016 ARPathway2016_902 1-Ethoxy-2-propanol 1569-02-4 DTXSID1041267 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOCC(C)O 1-Ethoxy-2-propanol 1569-02-4|1-Ethoxy-2-propanol|1-Ethoxypropan-2-ol|1-ethoxypropane-2-ol|2- Propanol, 1- ethoxy-|2PG1EE|alpha PGME|alpha-Propylene glycol methyl ether|alpha-Propylenglykol-1-ethylether|BRN 1732213|EINECS 216-374-5|Ethyl Proxitol|NSC 2404|PROPAN-2-OL, 1-ETHOXY-|Propylene glycol ethyl ether|1331-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041267
ARPathway2016 ARPathway2016_902 1-Ethoxy-2-propanol 1569-02-4 DTXSID1041267 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOCC(C)O 1-Ethoxy-2-propanol 1569-02-4|1-Ethoxy-2-propanol|1-Ethoxypropan-2-ol|1-ethoxypropane-2-ol|2- Propanol, 1- ethoxy-|2PG1EE|alpha PGME|alpha-Propylene glycol methyl ether|alpha-Propylenglykol-1-ethylether|BRN 1732213|EINECS 216-374-5|Ethyl Proxitol|NSC 2404|PROPAN-2-OL, 1-ETHOXY-|Propylene glycol ethyl ether|1331-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041267
ARPathway2016 ARPathway2016_902 1-Ethoxy-2-propanol 1569-02-4 DTXSID1041267 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOCC(C)O 1-Ethoxy-2-propanol 1569-02-4|1-Ethoxy-2-propanol|1-Ethoxypropan-2-ol|1-ethoxypropane-2-ol|2- Propanol, 1- ethoxy-|2PG1EE|alpha PGME|alpha-Propylene glycol methyl ether|alpha-Propylenglykol-1-ethylether|BRN 1732213|EINECS 216-374-5|Ethyl Proxitol|NSC 2404|PROPAN-2-OL, 1-ETHOXY-|Propylene glycol ethyl ether|1331-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041267
ARPathway2016 ARPathway2016_902 1-Ethoxy-2-propanol 1569-02-4 DTXSID1041267 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOCC(C)O 1-Ethoxy-2-propanol 1569-02-4|1-Ethoxy-2-propanol|1-Ethoxypropan-2-ol|1-ethoxypropane-2-ol|2- Propanol, 1- ethoxy-|2PG1EE|alpha PGME|alpha-Propylene glycol methyl ether|alpha-Propylenglykol-1-ethylether|BRN 1732213|EINECS 216-374-5|Ethyl Proxitol|NSC 2404|PROPAN-2-OL, 1-ETHOXY-|Propylene glycol ethyl ether|1331-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041267
ERPathway2016 ERPathway2016_486 1-Ethoxy-2-propanol 1569-02-4 DTXSID1041267 ER Pathway Model, Agonist Model Score 0 Unitless CCOCC(C)O 1-Ethoxy-2-propanol 1569-02-4|1-Ethoxy-2-propanol|1-Ethoxypropan-2-ol|1-ethoxypropane-2-ol|2- Propanol, 1- ethoxy-|2PG1EE|alpha PGME|alpha-Propylene glycol methyl ether|alpha-Propylenglykol-1-ethylether|BRN 1732213|EINECS 216-374-5|Ethyl Proxitol|NSC 2404|PROPAN-2-OL, 1-ETHOXY-|Propylene glycol ethyl ether|1331-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041267
ERPathway2016 ERPathway2016_486 1-Ethoxy-2-propanol 1569-02-4 DTXSID1041267 ER Pathway Model, Antagonist Model Score 0 Unitless CCOCC(C)O 1-Ethoxy-2-propanol 1569-02-4|1-Ethoxy-2-propanol|1-Ethoxypropan-2-ol|1-ethoxypropane-2-ol|2- Propanol, 1- ethoxy-|2PG1EE|alpha PGME|alpha-Propylene glycol methyl ether|alpha-Propylenglykol-1-ethylether|BRN 1732213|EINECS 216-374-5|Ethyl Proxitol|NSC 2404|PROPAN-2-OL, 1-ETHOXY-|Propylene glycol ethyl ether|1331-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041267
ERPathway2016 ERPathway2016_486 1-Ethoxy-2-propanol 1569-02-4 DTXSID1041267 ER Pathway Model, Agonist Call Inactive Unitless CCOCC(C)O 1-Ethoxy-2-propanol 1569-02-4|1-Ethoxy-2-propanol|1-Ethoxypropan-2-ol|1-ethoxypropane-2-ol|2- Propanol, 1- ethoxy-|2PG1EE|alpha PGME|alpha-Propylene glycol methyl ether|alpha-Propylenglykol-1-ethylether|BRN 1732213|EINECS 216-374-5|Ethyl Proxitol|NSC 2404|PROPAN-2-OL, 1-ETHOXY-|Propylene glycol ethyl ether|1331-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041267
ERPathway2016 ERPathway2016_486 1-Ethoxy-2-propanol 1569-02-4 DTXSID1041267 ER Pathway Model, Antagonist Call Inactive Unitless CCOCC(C)O 1-Ethoxy-2-propanol 1569-02-4|1-Ethoxy-2-propanol|1-Ethoxypropan-2-ol|1-ethoxypropane-2-ol|2- Propanol, 1- ethoxy-|2PG1EE|alpha PGME|alpha-Propylene glycol methyl ether|alpha-Propylenglykol-1-ethylether|BRN 1732213|EINECS 216-374-5|Ethyl Proxitol|NSC 2404|PROPAN-2-OL, 1-ETHOXY-|Propylene glycol ethyl ether|1331-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041267
ARPathway2016 ARPathway2016_978 1H,1H,2H,2H-Perfluorooctyl iodide 2043-57-4 DTXSID2047565 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI 1H,1H,2H,2H-Perfluorooctyl iodide 2043-57-4|1H,1H,2H,2H-Perfluorooctyl iodide|1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane|1,1,2,2-Tetrahydroperfluorooctyl iodide|1,1,2,2-Tetrahydroperfluorooctyliodide|6:2 Fluorotelomer iodide|6:2 FTI|EINECS 218-056-1|Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-|188639-80-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047565
ARPathway2016 ARPathway2016_978 1H,1H,2H,2H-Perfluorooctyl iodide 2043-57-4 DTXSID2047565 0.0 AR Pathway Model, Agonist Model Score 0 Unitless FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI 1H,1H,2H,2H-Perfluorooctyl iodide 2043-57-4|1H,1H,2H,2H-Perfluorooctyl iodide|1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane|1,1,2,2-Tetrahydroperfluorooctyl iodide|1,1,2,2-Tetrahydroperfluorooctyliodide|6:2 Fluorotelomer iodide|6:2 FTI|EINECS 218-056-1|Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-|188639-80-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047565
ARPathway2016 ARPathway2016_978 1H,1H,2H,2H-Perfluorooctyl iodide 2043-57-4 DTXSID2047565 0.0 AR Pathway Model, Agonist Call Inactive Unitless FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI 1H,1H,2H,2H-Perfluorooctyl iodide 2043-57-4|1H,1H,2H,2H-Perfluorooctyl iodide|1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane|1,1,2,2-Tetrahydroperfluorooctyl iodide|1,1,2,2-Tetrahydroperfluorooctyliodide|6:2 Fluorotelomer iodide|6:2 FTI|EINECS 218-056-1|Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-|188639-80-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047565
ARPathway2016 ARPathway2016_978 1H,1H,2H,2H-Perfluorooctyl iodide 2043-57-4 DTXSID2047565 0.0 AR Pathway Model, Antagonist Call Inactive Unitless FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI 1H,1H,2H,2H-Perfluorooctyl iodide 2043-57-4|1H,1H,2H,2H-Perfluorooctyl iodide|1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane|1,1,2,2-Tetrahydroperfluorooctyl iodide|1,1,2,2-Tetrahydroperfluorooctyliodide|6:2 Fluorotelomer iodide|6:2 FTI|EINECS 218-056-1|Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-|188639-80-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047565
ERPathway2016 ERPathway2016_1367 1H,1H,2H,2H-Perfluorooctyl iodide 2043-57-4 DTXSID2047565 ER Pathway Model, Agonist Model Score 0 Unitless FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI 1H,1H,2H,2H-Perfluorooctyl iodide 2043-57-4|1H,1H,2H,2H-Perfluorooctyl iodide|1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane|1,1,2,2-Tetrahydroperfluorooctyl iodide|1,1,2,2-Tetrahydroperfluorooctyliodide|6:2 Fluorotelomer iodide|6:2 FTI|EINECS 218-056-1|Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-|188639-80-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047565
ERPathway2016 ERPathway2016_1367 1H,1H,2H,2H-Perfluorooctyl iodide 2043-57-4 DTXSID2047565 ER Pathway Model, Antagonist Model Score 0 Unitless FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI 1H,1H,2H,2H-Perfluorooctyl iodide 2043-57-4|1H,1H,2H,2H-Perfluorooctyl iodide|1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane|1,1,2,2-Tetrahydroperfluorooctyl iodide|1,1,2,2-Tetrahydroperfluorooctyliodide|6:2 Fluorotelomer iodide|6:2 FTI|EINECS 218-056-1|Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-|188639-80-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047565
ERPathway2016 ERPathway2016_1367 1H,1H,2H,2H-Perfluorooctyl iodide 2043-57-4 DTXSID2047565 ER Pathway Model, Agonist Call Inactive Unitless FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI 1H,1H,2H,2H-Perfluorooctyl iodide 2043-57-4|1H,1H,2H,2H-Perfluorooctyl iodide|1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane|1,1,2,2-Tetrahydroperfluorooctyl iodide|1,1,2,2-Tetrahydroperfluorooctyliodide|6:2 Fluorotelomer iodide|6:2 FTI|EINECS 218-056-1|Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-|188639-80-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047565
ERPathway2016 ERPathway2016_1367 1H,1H,2H,2H-Perfluorooctyl iodide 2043-57-4 DTXSID2047565 ER Pathway Model, Antagonist Call Inactive Unitless FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI 1H,1H,2H,2H-Perfluorooctyl iodide 2043-57-4|1H,1H,2H,2H-Perfluorooctyl iodide|1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane|1,1,2,2-Tetrahydroperfluorooctyl iodide|1,1,2,2-Tetrahydroperfluorooctyliodide|6:2 Fluorotelomer iodide|6:2 FTI|EINECS 218-056-1|Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-|188639-80-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047565
ARPathway2016 ARPathway2016_1105 1H-1,2,4-Triazole 288-88-0 DTXSID6027131 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless N1C=NC=N1 1H-1,2,4-Triazole 288-88-0|1H-1,2,4-Triazole|1,2,4-T|1,2,4-Triazol|1,2,4-Triazole|1,2,4-triazole (1,2,4-T)|1H,1,2,4-TRIAZOLE|206-022-9|3,4-Diazapyrrole|4H-1,2,4-Triazole|87084|BAS Reg.No. 87084|CGA 71019|CGA 98032|CGA-71019|CL 147267|CL147267|EC No.: 206-022-9|EINECS 206-022-9|KNF-317-M-22 (metabolite of Ipconazole)|M20 (87084)|M555F020|NSC 83128|PC 600076|PC Code 600076|s-Triazole|TRIAZOLE (1,2,4)|UNII-10MS0Y1RDI|1001118-18-8|116421-29-5|25167-73-1|27236-77-7|288-89-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027131
ARPathway2016 ARPathway2016_1105 1H-1,2,4-Triazole 288-88-0 DTXSID6027131 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless N1C=NC=N1 1H-1,2,4-Triazole 288-88-0|1H-1,2,4-Triazole|1,2,4-T|1,2,4-Triazol|1,2,4-Triazole|1,2,4-triazole (1,2,4-T)|1H,1,2,4-TRIAZOLE|206-022-9|3,4-Diazapyrrole|4H-1,2,4-Triazole|87084|BAS Reg.No. 87084|CGA 71019|CGA 98032|CGA-71019|CL 147267|CL147267|EC No.: 206-022-9|EINECS 206-022-9|KNF-317-M-22 (metabolite of Ipconazole)|M20 (87084)|M555F020|NSC 83128|PC 600076|PC Code 600076|s-Triazole|TRIAZOLE (1,2,4)|UNII-10MS0Y1RDI|1001118-18-8|116421-29-5|25167-73-1|27236-77-7|288-89-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027131
ARPathway2016 ARPathway2016_1105 1H-1,2,4-Triazole 288-88-0 DTXSID6027131 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless N1C=NC=N1 1H-1,2,4-Triazole 288-88-0|1H-1,2,4-Triazole|1,2,4-T|1,2,4-Triazol|1,2,4-Triazole|1,2,4-triazole (1,2,4-T)|1H,1,2,4-TRIAZOLE|206-022-9|3,4-Diazapyrrole|4H-1,2,4-Triazole|87084|BAS Reg.No. 87084|CGA 71019|CGA 98032|CGA-71019|CL 147267|CL147267|EC No.: 206-022-9|EINECS 206-022-9|KNF-317-M-22 (metabolite of Ipconazole)|M20 (87084)|M555F020|NSC 83128|PC 600076|PC Code 600076|s-Triazole|TRIAZOLE (1,2,4)|UNII-10MS0Y1RDI|1001118-18-8|116421-29-5|25167-73-1|27236-77-7|288-89-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027131
ARPathway2016 ARPathway2016_1105 1H-1,2,4-Triazole 288-88-0 DTXSID6027131 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless N1C=NC=N1 1H-1,2,4-Triazole 288-88-0|1H-1,2,4-Triazole|1,2,4-T|1,2,4-Triazol|1,2,4-Triazole|1,2,4-triazole (1,2,4-T)|1H,1,2,4-TRIAZOLE|206-022-9|3,4-Diazapyrrole|4H-1,2,4-Triazole|87084|BAS Reg.No. 87084|CGA 71019|CGA 98032|CGA-71019|CL 147267|CL147267|EC No.: 206-022-9|EINECS 206-022-9|KNF-317-M-22 (metabolite of Ipconazole)|M20 (87084)|M555F020|NSC 83128|PC 600076|PC Code 600076|s-Triazole|TRIAZOLE (1,2,4)|UNII-10MS0Y1RDI|1001118-18-8|116421-29-5|25167-73-1|27236-77-7|288-89-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027131
ERPathway2016 ERPathway2016_502 1H-1,2,4-Triazole 288-88-0 DTXSID6027131 R6 ER Pathway Model, Agonist Model Score 0 Unitless N1C=NC=N1 1H-1,2,4-Triazole 288-88-0|1H-1,2,4-Triazole|1,2,4-T|1,2,4-Triazol|1,2,4-Triazole|1,2,4-triazole (1,2,4-T)|1H,1,2,4-TRIAZOLE|206-022-9|3,4-Diazapyrrole|4H-1,2,4-Triazole|87084|BAS Reg.No. 87084|CGA 71019|CGA 98032|CGA-71019|CL 147267|CL147267|EC No.: 206-022-9|EINECS 206-022-9|KNF-317-M-22 (metabolite of Ipconazole)|M20 (87084)|M555F020|NSC 83128|PC 600076|PC Code 600076|s-Triazole|TRIAZOLE (1,2,4)|UNII-10MS0Y1RDI|1001118-18-8|116421-29-5|25167-73-1|27236-77-7|288-89-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027131
ERPathway2016 ERPathway2016_502 1H-1,2,4-Triazole 288-88-0 DTXSID6027131 R6 ER Pathway Model, Antagonist Model Score 0 Unitless N1C=NC=N1 1H-1,2,4-Triazole 288-88-0|1H-1,2,4-Triazole|1,2,4-T|1,2,4-Triazol|1,2,4-Triazole|1,2,4-triazole (1,2,4-T)|1H,1,2,4-TRIAZOLE|206-022-9|3,4-Diazapyrrole|4H-1,2,4-Triazole|87084|BAS Reg.No. 87084|CGA 71019|CGA 98032|CGA-71019|CL 147267|CL147267|EC No.: 206-022-9|EINECS 206-022-9|KNF-317-M-22 (metabolite of Ipconazole)|M20 (87084)|M555F020|NSC 83128|PC 600076|PC Code 600076|s-Triazole|TRIAZOLE (1,2,4)|UNII-10MS0Y1RDI|1001118-18-8|116421-29-5|25167-73-1|27236-77-7|288-89-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027131
ERPathway2016 ERPathway2016_502 1H-1,2,4-Triazole 288-88-0 DTXSID6027131 R6 ER Pathway Model, Agonist Call Inactive Unitless N1C=NC=N1 1H-1,2,4-Triazole 288-88-0|1H-1,2,4-Triazole|1,2,4-T|1,2,4-Triazol|1,2,4-Triazole|1,2,4-triazole (1,2,4-T)|1H,1,2,4-TRIAZOLE|206-022-9|3,4-Diazapyrrole|4H-1,2,4-Triazole|87084|BAS Reg.No. 87084|CGA 71019|CGA 98032|CGA-71019|CL 147267|CL147267|EC No.: 206-022-9|EINECS 206-022-9|KNF-317-M-22 (metabolite of Ipconazole)|M20 (87084)|M555F020|NSC 83128|PC 600076|PC Code 600076|s-Triazole|TRIAZOLE (1,2,4)|UNII-10MS0Y1RDI|1001118-18-8|116421-29-5|25167-73-1|27236-77-7|288-89-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027131
ERPathway2016 ERPathway2016_502 1H-1,2,4-Triazole 288-88-0 DTXSID6027131 R6 ER Pathway Model, Antagonist Call Inactive Unitless N1C=NC=N1 1H-1,2,4-Triazole 288-88-0|1H-1,2,4-Triazole|1,2,4-T|1,2,4-Triazol|1,2,4-Triazole|1,2,4-triazole (1,2,4-T)|1H,1,2,4-TRIAZOLE|206-022-9|3,4-Diazapyrrole|4H-1,2,4-Triazole|87084|BAS Reg.No. 87084|CGA 71019|CGA 98032|CGA-71019|CL 147267|CL147267|EC No.: 206-022-9|EINECS 206-022-9|KNF-317-M-22 (metabolite of Ipconazole)|M20 (87084)|M555F020|NSC 83128|PC 600076|PC Code 600076|s-Triazole|TRIAZOLE (1,2,4)|UNII-10MS0Y1RDI|1001118-18-8|116421-29-5|25167-73-1|27236-77-7|288-89-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027131
ARPathway2016 ARPathway2016_575 1-Heptanol 111-70-6 DTXSID8021937 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCO 1-Heptanol 111-70-6|1-Heptanol|1-Hydroxyheptane|4-01-00-01731|Alcohol C-7|BRN 1731686|EINECS 203-897-9|Enanthic alcohol|Enanthyl alcohol|Fatty alcohol(C7)|FEMA No. 2548|FEMA Number 2548|Gentanol|Heptan-1-ol|heptane-1-ol|HEPTYL ALCOHOL|Heptyl alcohol, primary|Hexyl carbinol|Hydroxy heptane|Hydroxyheptane|l'Alcool N-heptylique primaire|n-Heptan-1-ol|n-Heptanol|N-Heptanol-1|n-Heptyl alcohol|NSC 3703|Pri-n-heptyl alcohol|UNII-8JQ5607IO5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021937
ARPathway2016 ARPathway2016_575 1-Heptanol 111-70-6 DTXSID8021937 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCO 1-Heptanol 111-70-6|1-Heptanol|1-Hydroxyheptane|4-01-00-01731|Alcohol C-7|BRN 1731686|EINECS 203-897-9|Enanthic alcohol|Enanthyl alcohol|Fatty alcohol(C7)|FEMA No. 2548|FEMA Number 2548|Gentanol|Heptan-1-ol|heptane-1-ol|HEPTYL ALCOHOL|Heptyl alcohol, primary|Hexyl carbinol|Hydroxy heptane|Hydroxyheptane|l'Alcool N-heptylique primaire|n-Heptan-1-ol|n-Heptanol|N-Heptanol-1|n-Heptyl alcohol|NSC 3703|Pri-n-heptyl alcohol|UNII-8JQ5607IO5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021937
ARPathway2016 ARPathway2016_575 1-Heptanol 111-70-6 DTXSID8021937 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCO 1-Heptanol 111-70-6|1-Heptanol|1-Hydroxyheptane|4-01-00-01731|Alcohol C-7|BRN 1731686|EINECS 203-897-9|Enanthic alcohol|Enanthyl alcohol|Fatty alcohol(C7)|FEMA No. 2548|FEMA Number 2548|Gentanol|Heptan-1-ol|heptane-1-ol|HEPTYL ALCOHOL|Heptyl alcohol, primary|Hexyl carbinol|Hydroxy heptane|Hydroxyheptane|l'Alcool N-heptylique primaire|n-Heptan-1-ol|n-Heptanol|N-Heptanol-1|n-Heptyl alcohol|NSC 3703|Pri-n-heptyl alcohol|UNII-8JQ5607IO5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021937
ARPathway2016 ARPathway2016_575 1-Heptanol 111-70-6 DTXSID8021937 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCO 1-Heptanol 111-70-6|1-Heptanol|1-Hydroxyheptane|4-01-00-01731|Alcohol C-7|BRN 1731686|EINECS 203-897-9|Enanthic alcohol|Enanthyl alcohol|Fatty alcohol(C7)|FEMA No. 2548|FEMA Number 2548|Gentanol|Heptan-1-ol|heptane-1-ol|HEPTYL ALCOHOL|Heptyl alcohol, primary|Hexyl carbinol|Hydroxy heptane|Hydroxyheptane|l'Alcool N-heptylique primaire|n-Heptan-1-ol|n-Heptanol|N-Heptanol-1|n-Heptyl alcohol|NSC 3703|Pri-n-heptyl alcohol|UNII-8JQ5607IO5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021937
ERPathway2016 ERPathway2016_878 1-Heptanol 111-70-6 DTXSID8021937 R6 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCO 1-Heptanol 111-70-6|1-Heptanol|1-Hydroxyheptane|4-01-00-01731|Alcohol C-7|BRN 1731686|EINECS 203-897-9|Enanthic alcohol|Enanthyl alcohol|Fatty alcohol(C7)|FEMA No. 2548|FEMA Number 2548|Gentanol|Heptan-1-ol|heptane-1-ol|HEPTYL ALCOHOL|Heptyl alcohol, primary|Hexyl carbinol|Hydroxy heptane|Hydroxyheptane|l'Alcool N-heptylique primaire|n-Heptan-1-ol|n-Heptanol|N-Heptanol-1|n-Heptyl alcohol|NSC 3703|Pri-n-heptyl alcohol|UNII-8JQ5607IO5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021937
ERPathway2016 ERPathway2016_878 1-Heptanol 111-70-6 DTXSID8021937 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCO 1-Heptanol 111-70-6|1-Heptanol|1-Hydroxyheptane|4-01-00-01731|Alcohol C-7|BRN 1731686|EINECS 203-897-9|Enanthic alcohol|Enanthyl alcohol|Fatty alcohol(C7)|FEMA No. 2548|FEMA Number 2548|Gentanol|Heptan-1-ol|heptane-1-ol|HEPTYL ALCOHOL|Heptyl alcohol, primary|Hexyl carbinol|Hydroxy heptane|Hydroxyheptane|l'Alcool N-heptylique primaire|n-Heptan-1-ol|n-Heptanol|N-Heptanol-1|n-Heptyl alcohol|NSC 3703|Pri-n-heptyl alcohol|UNII-8JQ5607IO5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021937
ERPathway2016 ERPathway2016_878 1-Heptanol 111-70-6 DTXSID8021937 R6 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCO 1-Heptanol 111-70-6|1-Heptanol|1-Hydroxyheptane|4-01-00-01731|Alcohol C-7|BRN 1731686|EINECS 203-897-9|Enanthic alcohol|Enanthyl alcohol|Fatty alcohol(C7)|FEMA No. 2548|FEMA Number 2548|Gentanol|Heptan-1-ol|heptane-1-ol|HEPTYL ALCOHOL|Heptyl alcohol, primary|Hexyl carbinol|Hydroxy heptane|Hydroxyheptane|l'Alcool N-heptylique primaire|n-Heptan-1-ol|n-Heptanol|N-Heptanol-1|n-Heptyl alcohol|NSC 3703|Pri-n-heptyl alcohol|UNII-8JQ5607IO5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021937
ERPathway2016 ERPathway2016_878 1-Heptanol 111-70-6 DTXSID8021937 R6 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCO 1-Heptanol 111-70-6|1-Heptanol|1-Hydroxyheptane|4-01-00-01731|Alcohol C-7|BRN 1731686|EINECS 203-897-9|Enanthic alcohol|Enanthyl alcohol|Fatty alcohol(C7)|FEMA No. 2548|FEMA Number 2548|Gentanol|Heptan-1-ol|heptane-1-ol|HEPTYL ALCOHOL|Heptyl alcohol, primary|Hexyl carbinol|Hydroxy heptane|Hydroxyheptane|l'Alcool N-heptylique primaire|n-Heptan-1-ol|n-Heptanol|N-Heptanol-1|n-Heptyl alcohol|NSC 3703|Pri-n-heptyl alcohol|UNII-8JQ5607IO5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021937
ARPathway2016 ARPathway2016_1171 1-Hexadecanol 36653-82-4 DTXSID4027991 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCCCCO 1-Hexadecanol 36653-82-4|1-Hexadecanol|1-Cetanol|1-Hexadecyl alc|1-hexadecyl alcohol|1-Hexanedecanol|1-Hydroxyhexadecane|4-01-00-01876|Adol 52|Adol 52 NF|Adol 52NF|Adol 54|Alcohol C-16|Aldol 54|Alfol 16|Atalco C|BRN 1748475|C16 alcohol|Cachalot C 51|Cachalot C-50|Cachalot C-50 NF|Cachalot C-51|Cachalot C-52|Caswell No. 165D|Ceraphyl ICA|Cetaffine|Cetal|Cetalcos|Cetalol CA|Cetanol|Cetostearyl alcohol|CETYL ALCOHOL|Cetyl alcohol NF|Cetyl Alcohol NX|Cetylalkohol|Cetylic alcohol|Cetylol|Crodacol C|Crodacol C 95|Crodacol C70|Crodacol C95NF|Crodacol CAS|Crodacol CAT|Crodacol-CAS|Crodacol-CAT|Cyclal cetyl alcohol|Dehydag wax 16|Dytol F-11|EINECS 253-149-0|Elfacos C|EPA Pesticide Chemical Code 001508|Epal 16NF|Ethal|Ethol|Eutanol G16|Exxal 16|Fancol CA|Fatty alcohol|Fatty alcohol(C16)|FEMA No. 2554|FEMA Number 2554|Hainol 16 SS|Hainol 16SS|Hexadecan-1-ol|hexadecane-1-ol|Hexadecanol|Hexadecanol NF|Hexadecyl alcohol|Hexadecyl alcohol, normal|Hyfatol|Hyfatol 16|Hyfatol 16-85|Hyfatol 16-95|Isocetyl alcohol|Isohexadecanol|Isohexadecyl alcohol|Kalcohl 6098|Kalc|1173838-87-3|124-29-8|55069-45-9|8014-51-5|8023-37-8|8032-16-4|8032-17-5|8032-89-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027991
ARPathway2016 ARPathway2016_1171 1-Hexadecanol 36653-82-4 DTXSID4027991 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCCCCO 1-Hexadecanol 36653-82-4|1-Hexadecanol|1-Cetanol|1-Hexadecyl alc|1-hexadecyl alcohol|1-Hexanedecanol|1-Hydroxyhexadecane|4-01-00-01876|Adol 52|Adol 52 NF|Adol 52NF|Adol 54|Alcohol C-16|Aldol 54|Alfol 16|Atalco C|BRN 1748475|C16 alcohol|Cachalot C 51|Cachalot C-50|Cachalot C-50 NF|Cachalot C-51|Cachalot C-52|Caswell No. 165D|Ceraphyl ICA|Cetaffine|Cetal|Cetalcos|Cetalol CA|Cetanol|Cetostearyl alcohol|CETYL ALCOHOL|Cetyl alcohol NF|Cetyl Alcohol NX|Cetylalkohol|Cetylic alcohol|Cetylol|Crodacol C|Crodacol C 95|Crodacol C70|Crodacol C95NF|Crodacol CAS|Crodacol CAT|Crodacol-CAS|Crodacol-CAT|Cyclal cetyl alcohol|Dehydag wax 16|Dytol F-11|EINECS 253-149-0|Elfacos C|EPA Pesticide Chemical Code 001508|Epal 16NF|Ethal|Ethol|Eutanol G16|Exxal 16|Fancol CA|Fatty alcohol|Fatty alcohol(C16)|FEMA No. 2554|FEMA Number 2554|Hainol 16 SS|Hainol 16SS|Hexadecan-1-ol|hexadecane-1-ol|Hexadecanol|Hexadecanol NF|Hexadecyl alcohol|Hexadecyl alcohol, normal|Hyfatol|Hyfatol 16|Hyfatol 16-85|Hyfatol 16-95|Isocetyl alcohol|Isohexadecanol|Isohexadecyl alcohol|Kalcohl 6098|Kalc|1173838-87-3|124-29-8|55069-45-9|8014-51-5|8023-37-8|8032-16-4|8032-17-5|8032-89-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027991
ARPathway2016 ARPathway2016_1171 1-Hexadecanol 36653-82-4 DTXSID4027991 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCCCCO 1-Hexadecanol 36653-82-4|1-Hexadecanol|1-Cetanol|1-Hexadecyl alc|1-hexadecyl alcohol|1-Hexanedecanol|1-Hydroxyhexadecane|4-01-00-01876|Adol 52|Adol 52 NF|Adol 52NF|Adol 54|Alcohol C-16|Aldol 54|Alfol 16|Atalco C|BRN 1748475|C16 alcohol|Cachalot C 51|Cachalot C-50|Cachalot C-50 NF|Cachalot C-51|Cachalot C-52|Caswell No. 165D|Ceraphyl ICA|Cetaffine|Cetal|Cetalcos|Cetalol CA|Cetanol|Cetostearyl alcohol|CETYL ALCOHOL|Cetyl alcohol NF|Cetyl Alcohol NX|Cetylalkohol|Cetylic alcohol|Cetylol|Crodacol C|Crodacol C 95|Crodacol C70|Crodacol C95NF|Crodacol CAS|Crodacol CAT|Crodacol-CAS|Crodacol-CAT|Cyclal cetyl alcohol|Dehydag wax 16|Dytol F-11|EINECS 253-149-0|Elfacos C|EPA Pesticide Chemical Code 001508|Epal 16NF|Ethal|Ethol|Eutanol G16|Exxal 16|Fancol CA|Fatty alcohol|Fatty alcohol(C16)|FEMA No. 2554|FEMA Number 2554|Hainol 16 SS|Hainol 16SS|Hexadecan-1-ol|hexadecane-1-ol|Hexadecanol|Hexadecanol NF|Hexadecyl alcohol|Hexadecyl alcohol, normal|Hyfatol|Hyfatol 16|Hyfatol 16-85|Hyfatol 16-95|Isocetyl alcohol|Isohexadecanol|Isohexadecyl alcohol|Kalcohl 6098|Kalc|1173838-87-3|124-29-8|55069-45-9|8014-51-5|8023-37-8|8032-16-4|8032-17-5|8032-89-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027991
ARPathway2016 ARPathway2016_1171 1-Hexadecanol 36653-82-4 DTXSID4027991 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCCCCO 1-Hexadecanol 36653-82-4|1-Hexadecanol|1-Cetanol|1-Hexadecyl alc|1-hexadecyl alcohol|1-Hexanedecanol|1-Hydroxyhexadecane|4-01-00-01876|Adol 52|Adol 52 NF|Adol 52NF|Adol 54|Alcohol C-16|Aldol 54|Alfol 16|Atalco C|BRN 1748475|C16 alcohol|Cachalot C 51|Cachalot C-50|Cachalot C-50 NF|Cachalot C-51|Cachalot C-52|Caswell No. 165D|Ceraphyl ICA|Cetaffine|Cetal|Cetalcos|Cetalol CA|Cetanol|Cetostearyl alcohol|CETYL ALCOHOL|Cetyl alcohol NF|Cetyl Alcohol NX|Cetylalkohol|Cetylic alcohol|Cetylol|Crodacol C|Crodacol C 95|Crodacol C70|Crodacol C95NF|Crodacol CAS|Crodacol CAT|Crodacol-CAS|Crodacol-CAT|Cyclal cetyl alcohol|Dehydag wax 16|Dytol F-11|EINECS 253-149-0|Elfacos C|EPA Pesticide Chemical Code 001508|Epal 16NF|Ethal|Ethol|Eutanol G16|Exxal 16|Fancol CA|Fatty alcohol|Fatty alcohol(C16)|FEMA No. 2554|FEMA Number 2554|Hainol 16 SS|Hainol 16SS|Hexadecan-1-ol|hexadecane-1-ol|Hexadecanol|Hexadecanol NF|Hexadecyl alcohol|Hexadecyl alcohol, normal|Hyfatol|Hyfatol 16|Hyfatol 16-85|Hyfatol 16-95|Isocetyl alcohol|Isohexadecanol|Isohexadecyl alcohol|Kalcohl 6098|Kalc|1173838-87-3|124-29-8|55069-45-9|8014-51-5|8023-37-8|8032-16-4|8032-17-5|8032-89-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027991
ERPathway2016 ERPathway2016_1469 1-Hexadecanol 36653-82-4 DTXSID4027991 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCCCCO 1-Hexadecanol 36653-82-4|1-Hexadecanol|1-Cetanol|1-Hexadecyl alc|1-hexadecyl alcohol|1-Hexanedecanol|1-Hydroxyhexadecane|4-01-00-01876|Adol 52|Adol 52 NF|Adol 52NF|Adol 54|Alcohol C-16|Aldol 54|Alfol 16|Atalco C|BRN 1748475|C16 alcohol|Cachalot C 51|Cachalot C-50|Cachalot C-50 NF|Cachalot C-51|Cachalot C-52|Caswell No. 165D|Ceraphyl ICA|Cetaffine|Cetal|Cetalcos|Cetalol CA|Cetanol|Cetostearyl alcohol|CETYL ALCOHOL|Cetyl alcohol NF|Cetyl Alcohol NX|Cetylalkohol|Cetylic alcohol|Cetylol|Crodacol C|Crodacol C 95|Crodacol C70|Crodacol C95NF|Crodacol CAS|Crodacol CAT|Crodacol-CAS|Crodacol-CAT|Cyclal cetyl alcohol|Dehydag wax 16|Dytol F-11|EINECS 253-149-0|Elfacos C|EPA Pesticide Chemical Code 001508|Epal 16NF|Ethal|Ethol|Eutanol G16|Exxal 16|Fancol CA|Fatty alcohol|Fatty alcohol(C16)|FEMA No. 2554|FEMA Number 2554|Hainol 16 SS|Hainol 16SS|Hexadecan-1-ol|hexadecane-1-ol|Hexadecanol|Hexadecanol NF|Hexadecyl alcohol|Hexadecyl alcohol, normal|Hyfatol|Hyfatol 16|Hyfatol 16-85|Hyfatol 16-95|Isocetyl alcohol|Isohexadecanol|Isohexadecyl alcohol|Kalcohl 6098|Kalc|1173838-87-3|124-29-8|55069-45-9|8014-51-5|8023-37-8|8032-16-4|8032-17-5|8032-89-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027991
ERPathway2016 ERPathway2016_1469 1-Hexadecanol 36653-82-4 DTXSID4027991 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCCCCO 1-Hexadecanol 36653-82-4|1-Hexadecanol|1-Cetanol|1-Hexadecyl alc|1-hexadecyl alcohol|1-Hexanedecanol|1-Hydroxyhexadecane|4-01-00-01876|Adol 52|Adol 52 NF|Adol 52NF|Adol 54|Alcohol C-16|Aldol 54|Alfol 16|Atalco C|BRN 1748475|C16 alcohol|Cachalot C 51|Cachalot C-50|Cachalot C-50 NF|Cachalot C-51|Cachalot C-52|Caswell No. 165D|Ceraphyl ICA|Cetaffine|Cetal|Cetalcos|Cetalol CA|Cetanol|Cetostearyl alcohol|CETYL ALCOHOL|Cetyl alcohol NF|Cetyl Alcohol NX|Cetylalkohol|Cetylic alcohol|Cetylol|Crodacol C|Crodacol C 95|Crodacol C70|Crodacol C95NF|Crodacol CAS|Crodacol CAT|Crodacol-CAS|Crodacol-CAT|Cyclal cetyl alcohol|Dehydag wax 16|Dytol F-11|EINECS 253-149-0|Elfacos C|EPA Pesticide Chemical Code 001508|Epal 16NF|Ethal|Ethol|Eutanol G16|Exxal 16|Fancol CA|Fatty alcohol|Fatty alcohol(C16)|FEMA No. 2554|FEMA Number 2554|Hainol 16 SS|Hainol 16SS|Hexadecan-1-ol|hexadecane-1-ol|Hexadecanol|Hexadecanol NF|Hexadecyl alcohol|Hexadecyl alcohol, normal|Hyfatol|Hyfatol 16|Hyfatol 16-85|Hyfatol 16-95|Isocetyl alcohol|Isohexadecanol|Isohexadecyl alcohol|Kalcohl 6098|Kalc|1173838-87-3|124-29-8|55069-45-9|8014-51-5|8023-37-8|8032-16-4|8032-17-5|8032-89-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027991
ERPathway2016 ERPathway2016_1469 1-Hexadecanol 36653-82-4 DTXSID4027991 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCCCCO 1-Hexadecanol 36653-82-4|1-Hexadecanol|1-Cetanol|1-Hexadecyl alc|1-hexadecyl alcohol|1-Hexanedecanol|1-Hydroxyhexadecane|4-01-00-01876|Adol 52|Adol 52 NF|Adol 52NF|Adol 54|Alcohol C-16|Aldol 54|Alfol 16|Atalco C|BRN 1748475|C16 alcohol|Cachalot C 51|Cachalot C-50|Cachalot C-50 NF|Cachalot C-51|Cachalot C-52|Caswell No. 165D|Ceraphyl ICA|Cetaffine|Cetal|Cetalcos|Cetalol CA|Cetanol|Cetostearyl alcohol|CETYL ALCOHOL|Cetyl alcohol NF|Cetyl Alcohol NX|Cetylalkohol|Cetylic alcohol|Cetylol|Crodacol C|Crodacol C 95|Crodacol C70|Crodacol C95NF|Crodacol CAS|Crodacol CAT|Crodacol-CAS|Crodacol-CAT|Cyclal cetyl alcohol|Dehydag wax 16|Dytol F-11|EINECS 253-149-0|Elfacos C|EPA Pesticide Chemical Code 001508|Epal 16NF|Ethal|Ethol|Eutanol G16|Exxal 16|Fancol CA|Fatty alcohol|Fatty alcohol(C16)|FEMA No. 2554|FEMA Number 2554|Hainol 16 SS|Hainol 16SS|Hexadecan-1-ol|hexadecane-1-ol|Hexadecanol|Hexadecanol NF|Hexadecyl alcohol|Hexadecyl alcohol, normal|Hyfatol|Hyfatol 16|Hyfatol 16-85|Hyfatol 16-95|Isocetyl alcohol|Isohexadecanol|Isohexadecyl alcohol|Kalcohl 6098|Kalc|1173838-87-3|124-29-8|55069-45-9|8014-51-5|8023-37-8|8032-16-4|8032-17-5|8032-89-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027991
ERPathway2016 ERPathway2016_1469 1-Hexadecanol 36653-82-4 DTXSID4027991 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCCCCO 1-Hexadecanol 36653-82-4|1-Hexadecanol|1-Cetanol|1-Hexadecyl alc|1-hexadecyl alcohol|1-Hexanedecanol|1-Hydroxyhexadecane|4-01-00-01876|Adol 52|Adol 52 NF|Adol 52NF|Adol 54|Alcohol C-16|Aldol 54|Alfol 16|Atalco C|BRN 1748475|C16 alcohol|Cachalot C 51|Cachalot C-50|Cachalot C-50 NF|Cachalot C-51|Cachalot C-52|Caswell No. 165D|Ceraphyl ICA|Cetaffine|Cetal|Cetalcos|Cetalol CA|Cetanol|Cetostearyl alcohol|CETYL ALCOHOL|Cetyl alcohol NF|Cetyl Alcohol NX|Cetylalkohol|Cetylic alcohol|Cetylol|Crodacol C|Crodacol C 95|Crodacol C70|Crodacol C95NF|Crodacol CAS|Crodacol CAT|Crodacol-CAS|Crodacol-CAT|Cyclal cetyl alcohol|Dehydag wax 16|Dytol F-11|EINECS 253-149-0|Elfacos C|EPA Pesticide Chemical Code 001508|Epal 16NF|Ethal|Ethol|Eutanol G16|Exxal 16|Fancol CA|Fatty alcohol|Fatty alcohol(C16)|FEMA No. 2554|FEMA Number 2554|Hainol 16 SS|Hainol 16SS|Hexadecan-1-ol|hexadecane-1-ol|Hexadecanol|Hexadecanol NF|Hexadecyl alcohol|Hexadecyl alcohol, normal|Hyfatol|Hyfatol 16|Hyfatol 16-85|Hyfatol 16-95|Isocetyl alcohol|Isohexadecanol|Isohexadecyl alcohol|Kalcohl 6098|Kalc|1173838-87-3|124-29-8|55069-45-9|8014-51-5|8023-37-8|8032-16-4|8032-17-5|8032-89-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027991
ARPathway2016 ARPathway2016_565 1-Hexanol 111-27-3 DTXSID8021931 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCO 1-Hexanol 111-27-3|1-Hexanol|1-Hexyl alcohol|1-Hydroxyhexane|4-01-00-01694|ALCOHOL C-6|Alcohol(C6)|Amyl carbinol|Amylcarbinol|BHL|BRN 0969167|C6 alcohol|Caproic alcohol|Caproyl alcohol|Caswell No. 482E|EINECS 203-852-3|EPA Pesticide Chemical Code 079047|Epal 6|Exxal 6|Fatty alcohol(C6)|FEMA No. 2567|FEMA Number 2567|HEX|Hexahydrophenol|Hexalin|Hexan-1-ol|hexane-1-ol|hexanol|Hexanol (van)|Hexanol-(1)|Hexanol-CMPD|hexyl alcohol|Hexyl alcohol (natural)|Hexyl alcohol, active|n-Hexan-1-ol|n-Hexanol|N-Hexenol|N-HEXYL ALCOHOL|NSC 9254|Pentylcarbinol|UN 2282|UNII-6CP2QER8GS|220713-27-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021931
ARPathway2016 ARPathway2016_565 1-Hexanol 111-27-3 DTXSID8021931 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCO 1-Hexanol 111-27-3|1-Hexanol|1-Hexyl alcohol|1-Hydroxyhexane|4-01-00-01694|ALCOHOL C-6|Alcohol(C6)|Amyl carbinol|Amylcarbinol|BHL|BRN 0969167|C6 alcohol|Caproic alcohol|Caproyl alcohol|Caswell No. 482E|EINECS 203-852-3|EPA Pesticide Chemical Code 079047|Epal 6|Exxal 6|Fatty alcohol(C6)|FEMA No. 2567|FEMA Number 2567|HEX|Hexahydrophenol|Hexalin|Hexan-1-ol|hexane-1-ol|hexanol|Hexanol (van)|Hexanol-(1)|Hexanol-CMPD|hexyl alcohol|Hexyl alcohol (natural)|Hexyl alcohol, active|n-Hexan-1-ol|n-Hexanol|N-Hexenol|N-HEXYL ALCOHOL|NSC 9254|Pentylcarbinol|UN 2282|UNII-6CP2QER8GS|220713-27-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021931
ARPathway2016 ARPathway2016_565 1-Hexanol 111-27-3 DTXSID8021931 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCO 1-Hexanol 111-27-3|1-Hexanol|1-Hexyl alcohol|1-Hydroxyhexane|4-01-00-01694|ALCOHOL C-6|Alcohol(C6)|Amyl carbinol|Amylcarbinol|BHL|BRN 0969167|C6 alcohol|Caproic alcohol|Caproyl alcohol|Caswell No. 482E|EINECS 203-852-3|EPA Pesticide Chemical Code 079047|Epal 6|Exxal 6|Fatty alcohol(C6)|FEMA No. 2567|FEMA Number 2567|HEX|Hexahydrophenol|Hexalin|Hexan-1-ol|hexane-1-ol|hexanol|Hexanol (van)|Hexanol-(1)|Hexanol-CMPD|hexyl alcohol|Hexyl alcohol (natural)|Hexyl alcohol, active|n-Hexan-1-ol|n-Hexanol|N-Hexenol|N-HEXYL ALCOHOL|NSC 9254|Pentylcarbinol|UN 2282|UNII-6CP2QER8GS|220713-27-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021931
ARPathway2016 ARPathway2016_565 1-Hexanol 111-27-3 DTXSID8021931 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCO 1-Hexanol 111-27-3|1-Hexanol|1-Hexyl alcohol|1-Hydroxyhexane|4-01-00-01694|ALCOHOL C-6|Alcohol(C6)|Amyl carbinol|Amylcarbinol|BHL|BRN 0969167|C6 alcohol|Caproic alcohol|Caproyl alcohol|Caswell No. 482E|EINECS 203-852-3|EPA Pesticide Chemical Code 079047|Epal 6|Exxal 6|Fatty alcohol(C6)|FEMA No. 2567|FEMA Number 2567|HEX|Hexahydrophenol|Hexalin|Hexan-1-ol|hexane-1-ol|hexanol|Hexanol (van)|Hexanol-(1)|Hexanol-CMPD|hexyl alcohol|Hexyl alcohol (natural)|Hexyl alcohol, active|n-Hexan-1-ol|n-Hexanol|N-Hexenol|N-HEXYL ALCOHOL|NSC 9254|Pentylcarbinol|UN 2282|UNII-6CP2QER8GS|220713-27-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021931
ERPathway2016 ERPathway2016_940 1-Hexanol 111-27-3 DTXSID8021931 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCO 1-Hexanol 111-27-3|1-Hexanol|1-Hexyl alcohol|1-Hydroxyhexane|4-01-00-01694|ALCOHOL C-6|Alcohol(C6)|Amyl carbinol|Amylcarbinol|BHL|BRN 0969167|C6 alcohol|Caproic alcohol|Caproyl alcohol|Caswell No. 482E|EINECS 203-852-3|EPA Pesticide Chemical Code 079047|Epal 6|Exxal 6|Fatty alcohol(C6)|FEMA No. 2567|FEMA Number 2567|HEX|Hexahydrophenol|Hexalin|Hexan-1-ol|hexane-1-ol|hexanol|Hexanol (van)|Hexanol-(1)|Hexanol-CMPD|hexyl alcohol|Hexyl alcohol (natural)|Hexyl alcohol, active|n-Hexan-1-ol|n-Hexanol|N-Hexenol|N-HEXYL ALCOHOL|NSC 9254|Pentylcarbinol|UN 2282|UNII-6CP2QER8GS|220713-27-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021931
ERPathway2016 ERPathway2016_940 1-Hexanol 111-27-3 DTXSID8021931 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCO 1-Hexanol 111-27-3|1-Hexanol|1-Hexyl alcohol|1-Hydroxyhexane|4-01-00-01694|ALCOHOL C-6|Alcohol(C6)|Amyl carbinol|Amylcarbinol|BHL|BRN 0969167|C6 alcohol|Caproic alcohol|Caproyl alcohol|Caswell No. 482E|EINECS 203-852-3|EPA Pesticide Chemical Code 079047|Epal 6|Exxal 6|Fatty alcohol(C6)|FEMA No. 2567|FEMA Number 2567|HEX|Hexahydrophenol|Hexalin|Hexan-1-ol|hexane-1-ol|hexanol|Hexanol (van)|Hexanol-(1)|Hexanol-CMPD|hexyl alcohol|Hexyl alcohol (natural)|Hexyl alcohol, active|n-Hexan-1-ol|n-Hexanol|N-Hexenol|N-HEXYL ALCOHOL|NSC 9254|Pentylcarbinol|UN 2282|UNII-6CP2QER8GS|220713-27-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021931
ERPathway2016 ERPathway2016_940 1-Hexanol 111-27-3 DTXSID8021931 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCO 1-Hexanol 111-27-3|1-Hexanol|1-Hexyl alcohol|1-Hydroxyhexane|4-01-00-01694|ALCOHOL C-6|Alcohol(C6)|Amyl carbinol|Amylcarbinol|BHL|BRN 0969167|C6 alcohol|Caproic alcohol|Caproyl alcohol|Caswell No. 482E|EINECS 203-852-3|EPA Pesticide Chemical Code 079047|Epal 6|Exxal 6|Fatty alcohol(C6)|FEMA No. 2567|FEMA Number 2567|HEX|Hexahydrophenol|Hexalin|Hexan-1-ol|hexane-1-ol|hexanol|Hexanol (van)|Hexanol-(1)|Hexanol-CMPD|hexyl alcohol|Hexyl alcohol (natural)|Hexyl alcohol, active|n-Hexan-1-ol|n-Hexanol|N-Hexenol|N-HEXYL ALCOHOL|NSC 9254|Pentylcarbinol|UN 2282|UNII-6CP2QER8GS|220713-27-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021931
ERPathway2016 ERPathway2016_940 1-Hexanol 111-27-3 DTXSID8021931 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCO 1-Hexanol 111-27-3|1-Hexanol|1-Hexyl alcohol|1-Hydroxyhexane|4-01-00-01694|ALCOHOL C-6|Alcohol(C6)|Amyl carbinol|Amylcarbinol|BHL|BRN 0969167|C6 alcohol|Caproic alcohol|Caproyl alcohol|Caswell No. 482E|EINECS 203-852-3|EPA Pesticide Chemical Code 079047|Epal 6|Exxal 6|Fatty alcohol(C6)|FEMA No. 2567|FEMA Number 2567|HEX|Hexahydrophenol|Hexalin|Hexan-1-ol|hexane-1-ol|hexanol|Hexanol (van)|Hexanol-(1)|Hexanol-CMPD|hexyl alcohol|Hexyl alcohol (natural)|Hexyl alcohol, active|n-Hexan-1-ol|n-Hexanol|N-Hexenol|N-HEXYL ALCOHOL|NSC 9254|Pentylcarbinol|UN 2282|UNII-6CP2QER8GS|220713-27-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021931
ARPathway2016 ARPathway2016_1754 1H-Indene 95-13-6 DTXSID8042052 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1C=CC2=CC=CC=C12 1H-Indene 95-13-6|1H-Indene|EC No.: 202-393-6|EINECS 202-393-6|Inden|Indene|Indonaphthene|NSC 9270|UNII-67H8Y6LB8A https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042052
ARPathway2016 ARPathway2016_1754 1H-Indene 95-13-6 DTXSID8042052 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1C=CC2=CC=CC=C12 1H-Indene 95-13-6|1H-Indene|EC No.: 202-393-6|EINECS 202-393-6|Inden|Indene|Indonaphthene|NSC 9270|UNII-67H8Y6LB8A https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042052
ARPathway2016 ARPathway2016_1754 1H-Indene 95-13-6 DTXSID8042052 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1C=CC2=CC=CC=C12 1H-Indene 95-13-6|1H-Indene|EC No.: 202-393-6|EINECS 202-393-6|Inden|Indene|Indonaphthene|NSC 9270|UNII-67H8Y6LB8A https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042052
ARPathway2016 ARPathway2016_1754 1H-Indene 95-13-6 DTXSID8042052 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1C=CC2=CC=CC=C12 1H-Indene 95-13-6|1H-Indene|EC No.: 202-393-6|EINECS 202-393-6|Inden|Indene|Indonaphthene|NSC 9270|UNII-67H8Y6LB8A https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042052
ERPathway2016 ERPathway2016_385 1H-Indene 95-13-6 DTXSID8042052 ER Pathway Model, Antagonist AC50 51.2139864097484 uM C1C=CC2=CC=CC=C12 1H-Indene 95-13-6|1H-Indene|EC No.: 202-393-6|EINECS 202-393-6|Inden|Indene|Indonaphthene|NSC 9270|UNII-67H8Y6LB8A https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042052
ERPathway2016 ERPathway2016_385 1H-Indene 95-13-6 DTXSID8042052 ER Pathway Model, Antagonist ACC 45.9032259593355 uM C1C=CC2=CC=CC=C12 1H-Indene 95-13-6|1H-Indene|EC No.: 202-393-6|EINECS 202-393-6|Inden|Indene|Indonaphthene|NSC 9270|UNII-67H8Y6LB8A https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042052
ERPathway2016 ERPathway2016_385 1H-Indene 95-13-6 DTXSID8042052 ER Pathway Model, Agonist Model Score 0.0117 Unitless C1C=CC2=CC=CC=C12 1H-Indene 95-13-6|1H-Indene|EC No.: 202-393-6|EINECS 202-393-6|Inden|Indene|Indonaphthene|NSC 9270|UNII-67H8Y6LB8A https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042052
ERPathway2016 ERPathway2016_385 1H-Indene 95-13-6 DTXSID8042052 ER Pathway Model, Antagonist Model Score 0 Unitless C1C=CC2=CC=CC=C12 1H-Indene 95-13-6|1H-Indene|EC No.: 202-393-6|EINECS 202-393-6|Inden|Indene|Indonaphthene|NSC 9270|UNII-67H8Y6LB8A https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042052
ERPathway2016 ERPathway2016_385 1H-Indene 95-13-6 DTXSID8042052 ER Pathway Model, Agonist Call Inactive Unitless C1C=CC2=CC=CC=C12 1H-Indene 95-13-6|1H-Indene|EC No.: 202-393-6|EINECS 202-393-6|Inden|Indene|Indonaphthene|NSC 9270|UNII-67H8Y6LB8A https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042052
ERPathway2016 ERPathway2016_385 1H-Indene 95-13-6 DTXSID8042052 ER Pathway Model, Antagonist Call Active Unitless C1C=CC2=CC=CC=C12 1H-Indene 95-13-6|1H-Indene|EC No.: 202-393-6|EINECS 202-393-6|Inden|Indene|Indonaphthene|NSC 9270|UNII-67H8Y6LB8A https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042052
ARPathway2016 ARPathway2016_201 1-Hydroxypyrene 5315-79-7 DTXSID1038298 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 35.9974812793089 uM OC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34 1-Hydroxypyrene 5315-79-7|1-Hydroxypyrene|1-HP|1-Hydroxy pyrene|1-Pyrenol|3-Hydroxypyrene|NSC 30968|Pyren-1-ol|UNII-N2H6O5V707 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038298
ARPathway2016 ARPathway2016_201 1-Hydroxypyrene 5315-79-7 DTXSID1038298 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 46.3971027603202 uM OC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34 1-Hydroxypyrene 5315-79-7|1-Hydroxypyrene|1-HP|1-Hydroxy pyrene|1-Pyrenol|3-Hydroxypyrene|NSC 30968|Pyren-1-ol|UNII-N2H6O5V707 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038298
ARPathway2016 ARPathway2016_201 1-Hydroxypyrene 5315-79-7 DTXSID1038298 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.144 Unitless OC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34 1-Hydroxypyrene 5315-79-7|1-Hydroxypyrene|1-HP|1-Hydroxy pyrene|1-Pyrenol|3-Hydroxypyrene|NSC 30968|Pyren-1-ol|UNII-N2H6O5V707 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038298
ARPathway2016 ARPathway2016_201 1-Hydroxypyrene 5315-79-7 DTXSID1038298 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34 1-Hydroxypyrene 5315-79-7|1-Hydroxypyrene|1-HP|1-Hydroxy pyrene|1-Pyrenol|3-Hydroxypyrene|NSC 30968|Pyren-1-ol|UNII-N2H6O5V707 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038298
ARPathway2016 ARPathway2016_201 1-Hydroxypyrene 5315-79-7 DTXSID1038298 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34 1-Hydroxypyrene 5315-79-7|1-Hydroxypyrene|1-HP|1-Hydroxy pyrene|1-Pyrenol|3-Hydroxypyrene|NSC 30968|Pyren-1-ol|UNII-N2H6O5V707 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038298
ARPathway2016 ARPathway2016_201 1-Hydroxypyrene 5315-79-7 DTXSID1038298 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34 1-Hydroxypyrene 5315-79-7|1-Hydroxypyrene|1-HP|1-Hydroxy pyrene|1-Pyrenol|3-Hydroxypyrene|NSC 30968|Pyren-1-ol|UNII-N2H6O5V707 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038298
ERPathway2016 ERPathway2016_399 1-Hydroxypyrene 5315-79-7 DTXSID1038298 ER Pathway Model, Antagonist AC50 8.37131220537607 uM OC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34 1-Hydroxypyrene 5315-79-7|1-Hydroxypyrene|1-HP|1-Hydroxy pyrene|1-Pyrenol|3-Hydroxypyrene|NSC 30968|Pyren-1-ol|UNII-N2H6O5V707 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038298
ERPathway2016 ERPathway2016_399 1-Hydroxypyrene 5315-79-7 DTXSID1038298 ER Pathway Model, Antagonist ACC 8.20725232910889 uM OC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34 1-Hydroxypyrene 5315-79-7|1-Hydroxypyrene|1-HP|1-Hydroxy pyrene|1-Pyrenol|3-Hydroxypyrene|NSC 30968|Pyren-1-ol|UNII-N2H6O5V707 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038298
ERPathway2016 ERPathway2016_399 1-Hydroxypyrene 5315-79-7 DTXSID1038298 ER Pathway Model, Agonist Model Score 0.00941 Unitless OC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34 1-Hydroxypyrene 5315-79-7|1-Hydroxypyrene|1-HP|1-Hydroxy pyrene|1-Pyrenol|3-Hydroxypyrene|NSC 30968|Pyren-1-ol|UNII-N2H6O5V707 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038298
ERPathway2016 ERPathway2016_399 1-Hydroxypyrene 5315-79-7 DTXSID1038298 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34 1-Hydroxypyrene 5315-79-7|1-Hydroxypyrene|1-HP|1-Hydroxy pyrene|1-Pyrenol|3-Hydroxypyrene|NSC 30968|Pyren-1-ol|UNII-N2H6O5V707 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038298
ERPathway2016 ERPathway2016_399 1-Hydroxypyrene 5315-79-7 DTXSID1038298 ER Pathway Model, Agonist Call Inactive Unitless OC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34 1-Hydroxypyrene 5315-79-7|1-Hydroxypyrene|1-HP|1-Hydroxy pyrene|1-Pyrenol|3-Hydroxypyrene|NSC 30968|Pyren-1-ol|UNII-N2H6O5V707 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038298
ERPathway2016 ERPathway2016_399 1-Hydroxypyrene 5315-79-7 DTXSID1038298 ER Pathway Model, Antagonist Call Active Unitless OC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34 1-Hydroxypyrene 5315-79-7|1-Hydroxypyrene|1-HP|1-Hydroxy pyrene|1-Pyrenol|3-Hydroxypyrene|NSC 30968|Pyren-1-ol|UNII-N2H6O5V707 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038298
ARPathway2016 ARPathway2016_502 1-Methoxy-2-propanol 107-98-2 DTXSID8024284 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COCC(C)O 1-Methoxy-2-propanol 107-98-2|1-Methoxy-2-propanol|1-Methoxy-2-hydroxypropane|1-Methoxypropan-2-ol|1-methoxypropane-2-ol|1-metoxipropan-2-ol|2-Methoxy-1-methylethanol|2-Propanol, 1-methoxy-|3-01-00-02146|3-Methoxy-2-propanol|BRN 1731270|Dowanol 33B|Dowtherm 209|EINECS 203-539-1|Methoxyisopropanol|Methyl proxitol|MONOMETHYL ETHER PROPANOL|NSC 2409|PM glycol ether|Poly-Solve MPM|PROPAN-2-OL, 1-METHOXY-|Propasol solvent M|Propylene glycol 1-methyl ether|Propylene Glycol 1-Monomethyl Ether|PROPYLENE GLYCOL METHYL ETHER|Propylene glycol monomethyl ether|PROPYLENGLYKOL-1-METHYLAETHER|Ucar Solvent LM (Obs.)|UN 3092|UNII-74Z7JO8V3U|58769-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024284
ARPathway2016 ARPathway2016_502 1-Methoxy-2-propanol 107-98-2 DTXSID8024284 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COCC(C)O 1-Methoxy-2-propanol 107-98-2|1-Methoxy-2-propanol|1-Methoxy-2-hydroxypropane|1-Methoxypropan-2-ol|1-methoxypropane-2-ol|1-metoxipropan-2-ol|2-Methoxy-1-methylethanol|2-Propanol, 1-methoxy-|3-01-00-02146|3-Methoxy-2-propanol|BRN 1731270|Dowanol 33B|Dowtherm 209|EINECS 203-539-1|Methoxyisopropanol|Methyl proxitol|MONOMETHYL ETHER PROPANOL|NSC 2409|PM glycol ether|Poly-Solve MPM|PROPAN-2-OL, 1-METHOXY-|Propasol solvent M|Propylene glycol 1-methyl ether|Propylene Glycol 1-Monomethyl Ether|PROPYLENE GLYCOL METHYL ETHER|Propylene glycol monomethyl ether|PROPYLENGLYKOL-1-METHYLAETHER|Ucar Solvent LM (Obs.)|UN 3092|UNII-74Z7JO8V3U|58769-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024284
ARPathway2016 ARPathway2016_502 1-Methoxy-2-propanol 107-98-2 DTXSID8024284 0.0 AR Pathway Model, Agonist Call Inactive Unitless COCC(C)O 1-Methoxy-2-propanol 107-98-2|1-Methoxy-2-propanol|1-Methoxy-2-hydroxypropane|1-Methoxypropan-2-ol|1-methoxypropane-2-ol|1-metoxipropan-2-ol|2-Methoxy-1-methylethanol|2-Propanol, 1-methoxy-|3-01-00-02146|3-Methoxy-2-propanol|BRN 1731270|Dowanol 33B|Dowtherm 209|EINECS 203-539-1|Methoxyisopropanol|Methyl proxitol|MONOMETHYL ETHER PROPANOL|NSC 2409|PM glycol ether|Poly-Solve MPM|PROPAN-2-OL, 1-METHOXY-|Propasol solvent M|Propylene glycol 1-methyl ether|Propylene Glycol 1-Monomethyl Ether|PROPYLENE GLYCOL METHYL ETHER|Propylene glycol monomethyl ether|PROPYLENGLYKOL-1-METHYLAETHER|Ucar Solvent LM (Obs.)|UN 3092|UNII-74Z7JO8V3U|58769-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024284
ARPathway2016 ARPathway2016_502 1-Methoxy-2-propanol 107-98-2 DTXSID8024284 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COCC(C)O 1-Methoxy-2-propanol 107-98-2|1-Methoxy-2-propanol|1-Methoxy-2-hydroxypropane|1-Methoxypropan-2-ol|1-methoxypropane-2-ol|1-metoxipropan-2-ol|2-Methoxy-1-methylethanol|2-Propanol, 1-methoxy-|3-01-00-02146|3-Methoxy-2-propanol|BRN 1731270|Dowanol 33B|Dowtherm 209|EINECS 203-539-1|Methoxyisopropanol|Methyl proxitol|MONOMETHYL ETHER PROPANOL|NSC 2409|PM glycol ether|Poly-Solve MPM|PROPAN-2-OL, 1-METHOXY-|Propasol solvent M|Propylene glycol 1-methyl ether|Propylene Glycol 1-Monomethyl Ether|PROPYLENE GLYCOL METHYL ETHER|Propylene glycol monomethyl ether|PROPYLENGLYKOL-1-METHYLAETHER|Ucar Solvent LM (Obs.)|UN 3092|UNII-74Z7JO8V3U|58769-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024284
ERPathway2016 ERPathway2016_364 1-Methoxy-2-propanol 107-98-2 DTXSID8024284 ER Pathway Model, Antagonist AC50 4.02454312806494 uM COCC(C)O 1-Methoxy-2-propanol 107-98-2|1-Methoxy-2-propanol|1-Methoxy-2-hydroxypropane|1-Methoxypropan-2-ol|1-methoxypropane-2-ol|1-metoxipropan-2-ol|2-Methoxy-1-methylethanol|2-Propanol, 1-methoxy-|3-01-00-02146|3-Methoxy-2-propanol|BRN 1731270|Dowanol 33B|Dowtherm 209|EINECS 203-539-1|Methoxyisopropanol|Methyl proxitol|MONOMETHYL ETHER PROPANOL|NSC 2409|PM glycol ether|Poly-Solve MPM|PROPAN-2-OL, 1-METHOXY-|Propasol solvent M|Propylene glycol 1-methyl ether|Propylene Glycol 1-Monomethyl Ether|PROPYLENE GLYCOL METHYL ETHER|Propylene glycol monomethyl ether|PROPYLENGLYKOL-1-METHYLAETHER|Ucar Solvent LM (Obs.)|UN 3092|UNII-74Z7JO8V3U|58769-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024284
ERPathway2016 ERPathway2016_364 1-Methoxy-2-propanol 107-98-2 DTXSID8024284 ER Pathway Model, Antagonist ACC 1.84602121758122 uM COCC(C)O 1-Methoxy-2-propanol 107-98-2|1-Methoxy-2-propanol|1-Methoxy-2-hydroxypropane|1-Methoxypropan-2-ol|1-methoxypropane-2-ol|1-metoxipropan-2-ol|2-Methoxy-1-methylethanol|2-Propanol, 1-methoxy-|3-01-00-02146|3-Methoxy-2-propanol|BRN 1731270|Dowanol 33B|Dowtherm 209|EINECS 203-539-1|Methoxyisopropanol|Methyl proxitol|MONOMETHYL ETHER PROPANOL|NSC 2409|PM glycol ether|Poly-Solve MPM|PROPAN-2-OL, 1-METHOXY-|Propasol solvent M|Propylene glycol 1-methyl ether|Propylene Glycol 1-Monomethyl Ether|PROPYLENE GLYCOL METHYL ETHER|Propylene glycol monomethyl ether|PROPYLENGLYKOL-1-METHYLAETHER|Ucar Solvent LM (Obs.)|UN 3092|UNII-74Z7JO8V3U|58769-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024284
ERPathway2016 ERPathway2016_364 1-Methoxy-2-propanol 107-98-2 DTXSID8024284 ER Pathway Model, Agonist Model Score 0.0156 Unitless COCC(C)O 1-Methoxy-2-propanol 107-98-2|1-Methoxy-2-propanol|1-Methoxy-2-hydroxypropane|1-Methoxypropan-2-ol|1-methoxypropane-2-ol|1-metoxipropan-2-ol|2-Methoxy-1-methylethanol|2-Propanol, 1-methoxy-|3-01-00-02146|3-Methoxy-2-propanol|BRN 1731270|Dowanol 33B|Dowtherm 209|EINECS 203-539-1|Methoxyisopropanol|Methyl proxitol|MONOMETHYL ETHER PROPANOL|NSC 2409|PM glycol ether|Poly-Solve MPM|PROPAN-2-OL, 1-METHOXY-|Propasol solvent M|Propylene glycol 1-methyl ether|Propylene Glycol 1-Monomethyl Ether|PROPYLENE GLYCOL METHYL ETHER|Propylene glycol monomethyl ether|PROPYLENGLYKOL-1-METHYLAETHER|Ucar Solvent LM (Obs.)|UN 3092|UNII-74Z7JO8V3U|58769-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024284
ERPathway2016 ERPathway2016_364 1-Methoxy-2-propanol 107-98-2 DTXSID8024284 ER Pathway Model, Antagonist Model Score 0 Unitless COCC(C)O 1-Methoxy-2-propanol 107-98-2|1-Methoxy-2-propanol|1-Methoxy-2-hydroxypropane|1-Methoxypropan-2-ol|1-methoxypropane-2-ol|1-metoxipropan-2-ol|2-Methoxy-1-methylethanol|2-Propanol, 1-methoxy-|3-01-00-02146|3-Methoxy-2-propanol|BRN 1731270|Dowanol 33B|Dowtherm 209|EINECS 203-539-1|Methoxyisopropanol|Methyl proxitol|MONOMETHYL ETHER PROPANOL|NSC 2409|PM glycol ether|Poly-Solve MPM|PROPAN-2-OL, 1-METHOXY-|Propasol solvent M|Propylene glycol 1-methyl ether|Propylene Glycol 1-Monomethyl Ether|PROPYLENE GLYCOL METHYL ETHER|Propylene glycol monomethyl ether|PROPYLENGLYKOL-1-METHYLAETHER|Ucar Solvent LM (Obs.)|UN 3092|UNII-74Z7JO8V3U|58769-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024284
ERPathway2016 ERPathway2016_364 1-Methoxy-2-propanol 107-98-2 DTXSID8024284 ER Pathway Model, Agonist Call Inactive Unitless COCC(C)O 1-Methoxy-2-propanol 107-98-2|1-Methoxy-2-propanol|1-Methoxy-2-hydroxypropane|1-Methoxypropan-2-ol|1-methoxypropane-2-ol|1-metoxipropan-2-ol|2-Methoxy-1-methylethanol|2-Propanol, 1-methoxy-|3-01-00-02146|3-Methoxy-2-propanol|BRN 1731270|Dowanol 33B|Dowtherm 209|EINECS 203-539-1|Methoxyisopropanol|Methyl proxitol|MONOMETHYL ETHER PROPANOL|NSC 2409|PM glycol ether|Poly-Solve MPM|PROPAN-2-OL, 1-METHOXY-|Propasol solvent M|Propylene glycol 1-methyl ether|Propylene Glycol 1-Monomethyl Ether|PROPYLENE GLYCOL METHYL ETHER|Propylene glycol monomethyl ether|PROPYLENGLYKOL-1-METHYLAETHER|Ucar Solvent LM (Obs.)|UN 3092|UNII-74Z7JO8V3U|58769-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024284
ERPathway2016 ERPathway2016_364 1-Methoxy-2-propanol 107-98-2 DTXSID8024284 ER Pathway Model, Antagonist Call Active Unitless COCC(C)O 1-Methoxy-2-propanol 107-98-2|1-Methoxy-2-propanol|1-Methoxy-2-hydroxypropane|1-Methoxypropan-2-ol|1-methoxypropane-2-ol|1-metoxipropan-2-ol|2-Methoxy-1-methylethanol|2-Propanol, 1-methoxy-|3-01-00-02146|3-Methoxy-2-propanol|BRN 1731270|Dowanol 33B|Dowtherm 209|EINECS 203-539-1|Methoxyisopropanol|Methyl proxitol|MONOMETHYL ETHER PROPANOL|NSC 2409|PM glycol ether|Poly-Solve MPM|PROPAN-2-OL, 1-METHOXY-|Propasol solvent M|Propylene glycol 1-methyl ether|Propylene Glycol 1-Monomethyl Ether|PROPYLENE GLYCOL METHYL ETHER|Propylene glycol monomethyl ether|PROPYLENGLYKOL-1-METHYLAETHER|Ucar Solvent LM (Obs.)|UN 3092|UNII-74Z7JO8V3U|58769-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024284
ARPathway2016 ARPathway2016_973 1-Methoxy-4-tert-pentylcyclohexane 199584-38-8 DTXSID0048187 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(C)(C)C1CCC(CC1)OC 1-Methoxy-4-tert-pentylcyclohexane 199584-38-8|1-Methoxy-4-tert-pentylcyclohexane https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048187
ARPathway2016 ARPathway2016_973 1-Methoxy-4-tert-pentylcyclohexane 199584-38-8 DTXSID0048187 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)(C)C1CCC(CC1)OC 1-Methoxy-4-tert-pentylcyclohexane 199584-38-8|1-Methoxy-4-tert-pentylcyclohexane https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048187
ARPathway2016 ARPathway2016_973 1-Methoxy-4-tert-pentylcyclohexane 199584-38-8 DTXSID0048187 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC(C)(C)C1CCC(CC1)OC 1-Methoxy-4-tert-pentylcyclohexane 199584-38-8|1-Methoxy-4-tert-pentylcyclohexane https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048187
ARPathway2016 ARPathway2016_973 1-Methoxy-4-tert-pentylcyclohexane 199584-38-8 DTXSID0048187 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)(C)C1CCC(CC1)OC 1-Methoxy-4-tert-pentylcyclohexane 199584-38-8|1-Methoxy-4-tert-pentylcyclohexane https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048187
ERPathway2016 ERPathway2016_728 1-Methoxy-4-tert-pentylcyclohexane 199584-38-8 DTXSID0048187 A13 ER Pathway Model, Agonist Model Score 0 Unitless CCC(C)(C)C1CCC(CC1)OC 1-Methoxy-4-tert-pentylcyclohexane 199584-38-8|1-Methoxy-4-tert-pentylcyclohexane https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048187
ERPathway2016 ERPathway2016_728 1-Methoxy-4-tert-pentylcyclohexane 199584-38-8 DTXSID0048187 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)(C)C1CCC(CC1)OC 1-Methoxy-4-tert-pentylcyclohexane 199584-38-8|1-Methoxy-4-tert-pentylcyclohexane https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048187
ERPathway2016 ERPathway2016_728 1-Methoxy-4-tert-pentylcyclohexane 199584-38-8 DTXSID0048187 A13 ER Pathway Model, Agonist Call Inactive Unitless CCC(C)(C)C1CCC(CC1)OC 1-Methoxy-4-tert-pentylcyclohexane 199584-38-8|1-Methoxy-4-tert-pentylcyclohexane https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048187
ERPathway2016 ERPathway2016_728 1-Methoxy-4-tert-pentylcyclohexane 199584-38-8 DTXSID0048187 A13 ER Pathway Model, Antagonist Call Inactive Unitless CCC(C)(C)C1CCC(CC1)OC 1-Methoxy-4-tert-pentylcyclohexane 199584-38-8|1-Methoxy-4-tert-pentylcyclohexane https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048187
ARPathway2016 ARPathway2016_923 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine 165252-70-0 DTXSID7034549 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(NCC1CCOC1)=N[N+]([O-])=O 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine 165252-70-0|1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine|(RS)-1-Methyl-2-nitro-3-(tetrahydro-3-furylmethyl)guanidine|1-Methyl-2-nitro-3-(tetrahydro-3-furylmethyl)guanidine|1-methyl-2-nitro-3-(tetrahydrofuran-3-ylmethyl)guanidine|1-Methyl-2-nitro-3-[(3-tetrahydrofuryl)methyl]guanidine|Albarin|Alpine WSG|Dinotefuran|EC No.: 605-399-0|Guanidine, N-methyl-N'-nitro-N''-[(tetrahydro-3-furanyl)methyl]-|Guanidine, N''-methyl-N-nitro-N'-[(tetrahydro-3-furanyl)methyl]-|Mikeblock|MTI 446|MTI-446|Nidinotefuran|Safari|Safari (insecticide)|Safari 20SG|Scorpion|Starkle|UNII-1W509710WF|Venom (insecticide)|Zylam|222540-72-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034549
ARPathway2016 ARPathway2016_923 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine 165252-70-0 DTXSID7034549 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CNC(NCC1CCOC1)=N[N+]([O-])=O 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine 165252-70-0|1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine|(RS)-1-Methyl-2-nitro-3-(tetrahydro-3-furylmethyl)guanidine|1-Methyl-2-nitro-3-(tetrahydro-3-furylmethyl)guanidine|1-methyl-2-nitro-3-(tetrahydrofuran-3-ylmethyl)guanidine|1-Methyl-2-nitro-3-[(3-tetrahydrofuryl)methyl]guanidine|Albarin|Alpine WSG|Dinotefuran|EC No.: 605-399-0|Guanidine, N-methyl-N'-nitro-N''-[(tetrahydro-3-furanyl)methyl]-|Guanidine, N''-methyl-N-nitro-N'-[(tetrahydro-3-furanyl)methyl]-|Mikeblock|MTI 446|MTI-446|Nidinotefuran|Safari|Safari (insecticide)|Safari 20SG|Scorpion|Starkle|UNII-1W509710WF|Venom (insecticide)|Zylam|222540-72-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034549
ARPathway2016 ARPathway2016_923 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine 165252-70-0 DTXSID7034549 0.0 AR Pathway Model, Agonist Call Inactive Unitless CNC(NCC1CCOC1)=N[N+]([O-])=O 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine 165252-70-0|1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine|(RS)-1-Methyl-2-nitro-3-(tetrahydro-3-furylmethyl)guanidine|1-Methyl-2-nitro-3-(tetrahydro-3-furylmethyl)guanidine|1-methyl-2-nitro-3-(tetrahydrofuran-3-ylmethyl)guanidine|1-Methyl-2-nitro-3-[(3-tetrahydrofuryl)methyl]guanidine|Albarin|Alpine WSG|Dinotefuran|EC No.: 605-399-0|Guanidine, N-methyl-N'-nitro-N''-[(tetrahydro-3-furanyl)methyl]-|Guanidine, N''-methyl-N-nitro-N'-[(tetrahydro-3-furanyl)methyl]-|Mikeblock|MTI 446|MTI-446|Nidinotefuran|Safari|Safari (insecticide)|Safari 20SG|Scorpion|Starkle|UNII-1W509710WF|Venom (insecticide)|Zylam|222540-72-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034549
ARPathway2016 ARPathway2016_923 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine 165252-70-0 DTXSID7034549 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CNC(NCC1CCOC1)=N[N+]([O-])=O 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine 165252-70-0|1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine|(RS)-1-Methyl-2-nitro-3-(tetrahydro-3-furylmethyl)guanidine|1-Methyl-2-nitro-3-(tetrahydro-3-furylmethyl)guanidine|1-methyl-2-nitro-3-(tetrahydrofuran-3-ylmethyl)guanidine|1-Methyl-2-nitro-3-[(3-tetrahydrofuryl)methyl]guanidine|Albarin|Alpine WSG|Dinotefuran|EC No.: 605-399-0|Guanidine, N-methyl-N'-nitro-N''-[(tetrahydro-3-furanyl)methyl]-|Guanidine, N''-methyl-N-nitro-N'-[(tetrahydro-3-furanyl)methyl]-|Mikeblock|MTI 446|MTI-446|Nidinotefuran|Safari|Safari (insecticide)|Safari 20SG|Scorpion|Starkle|UNII-1W509710WF|Venom (insecticide)|Zylam|222540-72-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034549
ERPathway2016 ERPathway2016_1339 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine 165252-70-0 DTXSID7034549 ER Pathway Model, Agonist Model Score 0 Unitless CNC(NCC1CCOC1)=N[N+]([O-])=O 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine 165252-70-0|1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine|(RS)-1-Methyl-2-nitro-3-(tetrahydro-3-furylmethyl)guanidine|1-Methyl-2-nitro-3-(tetrahydro-3-furylmethyl)guanidine|1-methyl-2-nitro-3-(tetrahydrofuran-3-ylmethyl)guanidine|1-Methyl-2-nitro-3-[(3-tetrahydrofuryl)methyl]guanidine|Albarin|Alpine WSG|Dinotefuran|EC No.: 605-399-0|Guanidine, N-methyl-N'-nitro-N''-[(tetrahydro-3-furanyl)methyl]-|Guanidine, N''-methyl-N-nitro-N'-[(tetrahydro-3-furanyl)methyl]-|Mikeblock|MTI 446|MTI-446|Nidinotefuran|Safari|Safari (insecticide)|Safari 20SG|Scorpion|Starkle|UNII-1W509710WF|Venom (insecticide)|Zylam|222540-72-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034549
ERPathway2016 ERPathway2016_1339 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine 165252-70-0 DTXSID7034549 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(NCC1CCOC1)=N[N+]([O-])=O 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine 165252-70-0|1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine|(RS)-1-Methyl-2-nitro-3-(tetrahydro-3-furylmethyl)guanidine|1-Methyl-2-nitro-3-(tetrahydro-3-furylmethyl)guanidine|1-methyl-2-nitro-3-(tetrahydrofuran-3-ylmethyl)guanidine|1-Methyl-2-nitro-3-[(3-tetrahydrofuryl)methyl]guanidine|Albarin|Alpine WSG|Dinotefuran|EC No.: 605-399-0|Guanidine, N-methyl-N'-nitro-N''-[(tetrahydro-3-furanyl)methyl]-|Guanidine, N''-methyl-N-nitro-N'-[(tetrahydro-3-furanyl)methyl]-|Mikeblock|MTI 446|MTI-446|Nidinotefuran|Safari|Safari (insecticide)|Safari 20SG|Scorpion|Starkle|UNII-1W509710WF|Venom (insecticide)|Zylam|222540-72-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034549
ERPathway2016 ERPathway2016_1339 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine 165252-70-0 DTXSID7034549 ER Pathway Model, Agonist Call Inactive Unitless CNC(NCC1CCOC1)=N[N+]([O-])=O 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine 165252-70-0|1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine|(RS)-1-Methyl-2-nitro-3-(tetrahydro-3-furylmethyl)guanidine|1-Methyl-2-nitro-3-(tetrahydro-3-furylmethyl)guanidine|1-methyl-2-nitro-3-(tetrahydrofuran-3-ylmethyl)guanidine|1-Methyl-2-nitro-3-[(3-tetrahydrofuryl)methyl]guanidine|Albarin|Alpine WSG|Dinotefuran|EC No.: 605-399-0|Guanidine, N-methyl-N'-nitro-N''-[(tetrahydro-3-furanyl)methyl]-|Guanidine, N''-methyl-N-nitro-N'-[(tetrahydro-3-furanyl)methyl]-|Mikeblock|MTI 446|MTI-446|Nidinotefuran|Safari|Safari (insecticide)|Safari 20SG|Scorpion|Starkle|UNII-1W509710WF|Venom (insecticide)|Zylam|222540-72-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034549
ERPathway2016 ERPathway2016_1339 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine 165252-70-0 DTXSID7034549 ER Pathway Model, Antagonist Call Inactive Unitless CNC(NCC1CCOC1)=N[N+]([O-])=O 1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine 165252-70-0|1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine|(RS)-1-Methyl-2-nitro-3-(tetrahydro-3-furylmethyl)guanidine|1-Methyl-2-nitro-3-(tetrahydro-3-furylmethyl)guanidine|1-methyl-2-nitro-3-(tetrahydrofuran-3-ylmethyl)guanidine|1-Methyl-2-nitro-3-[(3-tetrahydrofuryl)methyl]guanidine|Albarin|Alpine WSG|Dinotefuran|EC No.: 605-399-0|Guanidine, N-methyl-N'-nitro-N''-[(tetrahydro-3-furanyl)methyl]-|Guanidine, N''-methyl-N-nitro-N'-[(tetrahydro-3-furanyl)methyl]-|Mikeblock|MTI 446|MTI-446|Nidinotefuran|Safari|Safari (insecticide)|Safari 20SG|Scorpion|Starkle|UNII-1W509710WF|Venom (insecticide)|Zylam|222540-72-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034549
ARPathway2016 ARPathway2016_1381 1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone 59756-60-4 DTXSID8024107 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN1C=C(C(=O)C(=C1)C1=CC(=CC=C1)C(F)(F)F)C1=CC=CC=C1 1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone 59756-60-4|1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone|1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone|1-Methyl-3-phenyl-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-4-pyridone|4(1H)-Pyridinone, 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]-|5-21-09-00264|BRN 1547990|Caswell No. 130C|EINECS 261-916-6|EPA Pesticide Chemical Code 112900|Fluridone|UNII-3L0JQA61JX https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024107
ARPathway2016 ARPathway2016_1381 1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone 59756-60-4 DTXSID8024107 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN1C=C(C(=O)C(=C1)C1=CC(=CC=C1)C(F)(F)F)C1=CC=CC=C1 1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone 59756-60-4|1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone|1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone|1-Methyl-3-phenyl-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-4-pyridone|4(1H)-Pyridinone, 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]-|5-21-09-00264|BRN 1547990|Caswell No. 130C|EINECS 261-916-6|EPA Pesticide Chemical Code 112900|Fluridone|UNII-3L0JQA61JX https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024107
ARPathway2016 ARPathway2016_1381 1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone 59756-60-4 DTXSID8024107 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN1C=C(C(=O)C(=C1)C1=CC(=CC=C1)C(F)(F)F)C1=CC=CC=C1 1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone 59756-60-4|1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone|1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone|1-Methyl-3-phenyl-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-4-pyridone|4(1H)-Pyridinone, 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]-|5-21-09-00264|BRN 1547990|Caswell No. 130C|EINECS 261-916-6|EPA Pesticide Chemical Code 112900|Fluridone|UNII-3L0JQA61JX https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024107
ARPathway2016 ARPathway2016_1381 1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone 59756-60-4 DTXSID8024107 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN1C=C(C(=O)C(=C1)C1=CC(=CC=C1)C(F)(F)F)C1=CC=CC=C1 1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone 59756-60-4|1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone|1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone|1-Methyl-3-phenyl-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-4-pyridone|4(1H)-Pyridinone, 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]-|5-21-09-00264|BRN 1547990|Caswell No. 130C|EINECS 261-916-6|EPA Pesticide Chemical Code 112900|Fluridone|UNII-3L0JQA61JX https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024107
ERPathway2016 ERPathway2016_1566 1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone 59756-60-4 DTXSID8024107 ER Pathway Model, Agonist Model Score 0 Unitless CN1C=C(C(=O)C(=C1)C1=CC(=CC=C1)C(F)(F)F)C1=CC=CC=C1 1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone 59756-60-4|1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone|1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone|1-Methyl-3-phenyl-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-4-pyridone|4(1H)-Pyridinone, 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]-|5-21-09-00264|BRN 1547990|Caswell No. 130C|EINECS 261-916-6|EPA Pesticide Chemical Code 112900|Fluridone|UNII-3L0JQA61JX https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024107
ERPathway2016 ERPathway2016_1566 1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone 59756-60-4 DTXSID8024107 ER Pathway Model, Antagonist Model Score 0 Unitless CN1C=C(C(=O)C(=C1)C1=CC(=CC=C1)C(F)(F)F)C1=CC=CC=C1 1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone 59756-60-4|1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone|1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone|1-Methyl-3-phenyl-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-4-pyridone|4(1H)-Pyridinone, 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]-|5-21-09-00264|BRN 1547990|Caswell No. 130C|EINECS 261-916-6|EPA Pesticide Chemical Code 112900|Fluridone|UNII-3L0JQA61JX https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024107
ERPathway2016 ERPathway2016_1566 1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone 59756-60-4 DTXSID8024107 ER Pathway Model, Agonist Call Inactive Unitless CN1C=C(C(=O)C(=C1)C1=CC(=CC=C1)C(F)(F)F)C1=CC=CC=C1 1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone 59756-60-4|1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone|1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone|1-Methyl-3-phenyl-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-4-pyridone|4(1H)-Pyridinone, 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]-|5-21-09-00264|BRN 1547990|Caswell No. 130C|EINECS 261-916-6|EPA Pesticide Chemical Code 112900|Fluridone|UNII-3L0JQA61JX https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024107
ERPathway2016 ERPathway2016_1566 1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone 59756-60-4 DTXSID8024107 ER Pathway Model, Antagonist Call Inactive Unitless CN1C=C(C(=O)C(=C1)C1=CC(=CC=C1)C(F)(F)F)C1=CC=CC=C1 1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone 59756-60-4|1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone|1-Methyl-3-phenyl-5-(3-(trifluoromethyl)phenyl)-4-pyridone|1-Methyl-3-phenyl-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-4-pyridone|4(1H)-Pyridinone, 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]-|5-21-09-00264|BRN 1547990|Caswell No. 130C|EINECS 261-916-6|EPA Pesticide Chemical Code 112900|Fluridone|UNII-3L0JQA61JX https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024107
ARPathway2016 ARPathway2016_1699 1-Methylnaphthalene 90-12-0 DTXSID9020877 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C2C=CC=CC2=CC=C1 1-Methylnaphthalene 90-12-0|1-Methylnaphthalene|1-Methylnaphtalene|1-Methylnaphthalin|1-metilnaftaleno|alpha-Methylnaphthalene|EINECS 201-966-8|FEMA No. 3193|FEMA Number 3193|METHYL NAPHTHALENE|Naphthalene, 1-methyl-|Naphthalene, alpha-methyl-|NSC 3574|UNII-E7SK1Y1311|a-Methylnaphthalene https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020877 https://doi.org/10.22427/NTP-DATA-DTXSID9020877
ARPathway2016 ARPathway2016_1699 1-Methylnaphthalene 90-12-0 DTXSID9020877 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C2C=CC=CC2=CC=C1 1-Methylnaphthalene 90-12-0|1-Methylnaphthalene|1-Methylnaphtalene|1-Methylnaphthalin|1-metilnaftaleno|alpha-Methylnaphthalene|EINECS 201-966-8|FEMA No. 3193|FEMA Number 3193|METHYL NAPHTHALENE|Naphthalene, 1-methyl-|Naphthalene, alpha-methyl-|NSC 3574|UNII-E7SK1Y1311|a-Methylnaphthalene https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020877 https://doi.org/10.22427/NTP-DATA-DTXSID9020877
ARPathway2016 ARPathway2016_1699 1-Methylnaphthalene 90-12-0 DTXSID9020877 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C2C=CC=CC2=CC=C1 1-Methylnaphthalene 90-12-0|1-Methylnaphthalene|1-Methylnaphtalene|1-Methylnaphthalin|1-metilnaftaleno|alpha-Methylnaphthalene|EINECS 201-966-8|FEMA No. 3193|FEMA Number 3193|METHYL NAPHTHALENE|Naphthalene, 1-methyl-|Naphthalene, alpha-methyl-|NSC 3574|UNII-E7SK1Y1311|a-Methylnaphthalene https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020877 https://doi.org/10.22427/NTP-DATA-DTXSID9020877
ARPathway2016 ARPathway2016_1699 1-Methylnaphthalene 90-12-0 DTXSID9020877 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C2C=CC=CC2=CC=C1 1-Methylnaphthalene 90-12-0|1-Methylnaphthalene|1-Methylnaphtalene|1-Methylnaphthalin|1-metilnaftaleno|alpha-Methylnaphthalene|EINECS 201-966-8|FEMA No. 3193|FEMA Number 3193|METHYL NAPHTHALENE|Naphthalene, 1-methyl-|Naphthalene, alpha-methyl-|NSC 3574|UNII-E7SK1Y1311|a-Methylnaphthalene https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020877 https://doi.org/10.22427/NTP-DATA-DTXSID9020877
ERPathway2016 ERPathway2016_1007 1-Methylnaphthalene 90-12-0 DTXSID9020877 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C2C=CC=CC2=CC=C1 1-Methylnaphthalene 90-12-0|1-Methylnaphthalene|1-Methylnaphtalene|1-Methylnaphthalin|1-metilnaftaleno|alpha-Methylnaphthalene|EINECS 201-966-8|FEMA No. 3193|FEMA Number 3193|METHYL NAPHTHALENE|Naphthalene, 1-methyl-|Naphthalene, alpha-methyl-|NSC 3574|UNII-E7SK1Y1311|a-Methylnaphthalene https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020877 https://doi.org/10.22427/NTP-DATA-DTXSID9020877
ERPathway2016 ERPathway2016_1007 1-Methylnaphthalene 90-12-0 DTXSID9020877 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C2C=CC=CC2=CC=C1 1-Methylnaphthalene 90-12-0|1-Methylnaphthalene|1-Methylnaphtalene|1-Methylnaphthalin|1-metilnaftaleno|alpha-Methylnaphthalene|EINECS 201-966-8|FEMA No. 3193|FEMA Number 3193|METHYL NAPHTHALENE|Naphthalene, 1-methyl-|Naphthalene, alpha-methyl-|NSC 3574|UNII-E7SK1Y1311|a-Methylnaphthalene https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020877 https://doi.org/10.22427/NTP-DATA-DTXSID9020877
ERPathway2016 ERPathway2016_1007 1-Methylnaphthalene 90-12-0 DTXSID9020877 ER Pathway Model, Agonist Call Inactive Unitless CC1=C2C=CC=CC2=CC=C1 1-Methylnaphthalene 90-12-0|1-Methylnaphthalene|1-Methylnaphtalene|1-Methylnaphthalin|1-metilnaftaleno|alpha-Methylnaphthalene|EINECS 201-966-8|FEMA No. 3193|FEMA Number 3193|METHYL NAPHTHALENE|Naphthalene, 1-methyl-|Naphthalene, alpha-methyl-|NSC 3574|UNII-E7SK1Y1311|a-Methylnaphthalene https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020877 https://doi.org/10.22427/NTP-DATA-DTXSID9020877
ERPathway2016 ERPathway2016_1007 1-Methylnaphthalene 90-12-0 DTXSID9020877 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C2C=CC=CC2=CC=C1 1-Methylnaphthalene 90-12-0|1-Methylnaphthalene|1-Methylnaphtalene|1-Methylnaphthalin|1-metilnaftaleno|alpha-Methylnaphthalene|EINECS 201-966-8|FEMA No. 3193|FEMA Number 3193|METHYL NAPHTHALENE|Naphthalene, 1-methyl-|Naphthalene, alpha-methyl-|NSC 3574|UNII-E7SK1Y1311|a-Methylnaphthalene https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020877 https://doi.org/10.22427/NTP-DATA-DTXSID9020877
ARPathway2016 ARPathway2016_652 1-Methyltrimethylene dimethacrylate 1189-08-8 DTXSID5044784 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(CCOC(=O)C(C)=C)OC(=O)C(C)=C 1-Methyltrimethylene dimethacrylate 1189-08-8|1-Methyltrimethylene dimethacrylate|1,3 Butanediol dimethacrylate|1,3-Butyleneglycol dimethacrylate|1,3-Butyleneglycoldimethacrylate|2-Propenoic acid, 2-methyl-, 1,1'-(1-methyl-1,3-propanediyl) ester|Butane-1,3-diyl bis(2-methylprop-2-enoate) (2-Propenoic acid, 2-methyl-, 1-methyl-1,3-propanediyl ester)|EINECS 214-711-0|UNII-OL56191M6N|128424-01-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044784
ARPathway2016 ARPathway2016_652 1-Methyltrimethylene dimethacrylate 1189-08-8 DTXSID5044784 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(CCOC(=O)C(C)=C)OC(=O)C(C)=C 1-Methyltrimethylene dimethacrylate 1189-08-8|1-Methyltrimethylene dimethacrylate|1,3 Butanediol dimethacrylate|1,3-Butyleneglycol dimethacrylate|1,3-Butyleneglycoldimethacrylate|2-Propenoic acid, 2-methyl-, 1,1'-(1-methyl-1,3-propanediyl) ester|Butane-1,3-diyl bis(2-methylprop-2-enoate) (2-Propenoic acid, 2-methyl-, 1-methyl-1,3-propanediyl ester)|EINECS 214-711-0|UNII-OL56191M6N|128424-01-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044784
ARPathway2016 ARPathway2016_652 1-Methyltrimethylene dimethacrylate 1189-08-8 DTXSID5044784 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(CCOC(=O)C(C)=C)OC(=O)C(C)=C 1-Methyltrimethylene dimethacrylate 1189-08-8|1-Methyltrimethylene dimethacrylate|1,3 Butanediol dimethacrylate|1,3-Butyleneglycol dimethacrylate|1,3-Butyleneglycoldimethacrylate|2-Propenoic acid, 2-methyl-, 1,1'-(1-methyl-1,3-propanediyl) ester|Butane-1,3-diyl bis(2-methylprop-2-enoate) (2-Propenoic acid, 2-methyl-, 1-methyl-1,3-propanediyl ester)|EINECS 214-711-0|UNII-OL56191M6N|128424-01-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044784
ARPathway2016 ARPathway2016_652 1-Methyltrimethylene dimethacrylate 1189-08-8 DTXSID5044784 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(CCOC(=O)C(C)=C)OC(=O)C(C)=C 1-Methyltrimethylene dimethacrylate 1189-08-8|1-Methyltrimethylene dimethacrylate|1,3 Butanediol dimethacrylate|1,3-Butyleneglycol dimethacrylate|1,3-Butyleneglycoldimethacrylate|2-Propenoic acid, 2-methyl-, 1,1'-(1-methyl-1,3-propanediyl) ester|Butane-1,3-diyl bis(2-methylprop-2-enoate) (2-Propenoic acid, 2-methyl-, 1-methyl-1,3-propanediyl ester)|EINECS 214-711-0|UNII-OL56191M6N|128424-01-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044784
ERPathway2016 ERPathway2016_1199 1-Methyltrimethylene dimethacrylate 1189-08-8 DTXSID5044784 ER Pathway Model, Agonist Model Score 0 Unitless CC(CCOC(=O)C(C)=C)OC(=O)C(C)=C 1-Methyltrimethylene dimethacrylate 1189-08-8|1-Methyltrimethylene dimethacrylate|1,3 Butanediol dimethacrylate|1,3-Butyleneglycol dimethacrylate|1,3-Butyleneglycoldimethacrylate|2-Propenoic acid, 2-methyl-, 1,1'-(1-methyl-1,3-propanediyl) ester|Butane-1,3-diyl bis(2-methylprop-2-enoate) (2-Propenoic acid, 2-methyl-, 1-methyl-1,3-propanediyl ester)|EINECS 214-711-0|UNII-OL56191M6N|128424-01-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044784
ERPathway2016 ERPathway2016_1199 1-Methyltrimethylene dimethacrylate 1189-08-8 DTXSID5044784 ER Pathway Model, Antagonist Model Score 0 Unitless CC(CCOC(=O)C(C)=C)OC(=O)C(C)=C 1-Methyltrimethylene dimethacrylate 1189-08-8|1-Methyltrimethylene dimethacrylate|1,3 Butanediol dimethacrylate|1,3-Butyleneglycol dimethacrylate|1,3-Butyleneglycoldimethacrylate|2-Propenoic acid, 2-methyl-, 1,1'-(1-methyl-1,3-propanediyl) ester|Butane-1,3-diyl bis(2-methylprop-2-enoate) (2-Propenoic acid, 2-methyl-, 1-methyl-1,3-propanediyl ester)|EINECS 214-711-0|UNII-OL56191M6N|128424-01-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044784
ERPathway2016 ERPathway2016_1199 1-Methyltrimethylene dimethacrylate 1189-08-8 DTXSID5044784 ER Pathway Model, Agonist Call Inactive Unitless CC(CCOC(=O)C(C)=C)OC(=O)C(C)=C 1-Methyltrimethylene dimethacrylate 1189-08-8|1-Methyltrimethylene dimethacrylate|1,3 Butanediol dimethacrylate|1,3-Butyleneglycol dimethacrylate|1,3-Butyleneglycoldimethacrylate|2-Propenoic acid, 2-methyl-, 1,1'-(1-methyl-1,3-propanediyl) ester|Butane-1,3-diyl bis(2-methylprop-2-enoate) (2-Propenoic acid, 2-methyl-, 1-methyl-1,3-propanediyl ester)|EINECS 214-711-0|UNII-OL56191M6N|128424-01-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044784
ERPathway2016 ERPathway2016_1199 1-Methyltrimethylene dimethacrylate 1189-08-8 DTXSID5044784 ER Pathway Model, Antagonist Call Inactive Unitless CC(CCOC(=O)C(C)=C)OC(=O)C(C)=C 1-Methyltrimethylene dimethacrylate 1189-08-8|1-Methyltrimethylene dimethacrylate|1,3 Butanediol dimethacrylate|1,3-Butyleneglycol dimethacrylate|1,3-Butyleneglycoldimethacrylate|2-Propenoic acid, 2-methyl-, 1,1'-(1-methyl-1,3-propanediyl) ester|Butane-1,3-diyl bis(2-methylprop-2-enoate) (2-Propenoic acid, 2-methyl-, 1-methyl-1,3-propanediyl ester)|EINECS 214-711-0|UNII-OL56191M6N|128424-01-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044784
ARPathway2016 ARPathway2016_843 1-Monolaurin 142-18-7 DTXSID5041275 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCC(=O)OCC(O)CO 1-Monolaurin 142-18-7|1-Monolaurin|(+-)-2,3-Dihydroxypropyl dodecanoate|(+-)-glyceryl 1-monododecanoate|1-dodecanoylglycerol|1-Glyceryl laurate|1-Lauroyl-rac-glycerol|1-monododecanoylglycerol|1-monolauroyl-rac-glycerol|1-monolauroylglycerol|1-monomyristin|2,3-dihydroxypropyl dodecanoate|2,3-dihydroxypropyl laurate|3-Dodecanoyloxy-1,2-propanediol|alpha-Monolaurin|dodecanoic acid alpha-monoglyceride|dodecanoic acid, 2,3-dihydroxypropyl ester|EINECS 205-526-6|Glucerol alpha-monolaurate|Glycerin 1-monolaurate|Glycerol 1-laurate|Glycerol 1-monolaurate|Glyceryl laurate|Glyceryl monododecanoate|glyceryl monolaurate|lauric acid 1-monoglyceride|Lauric acid alpha-monoglyceride|lauricidin|rac-1-monolaurin|rac-1-monolauroylglycerol|UNII-WR963Y5QYW|40738-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041275
ARPathway2016 ARPathway2016_843 1-Monolaurin 142-18-7 DTXSID5041275 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCC(=O)OCC(O)CO 1-Monolaurin 142-18-7|1-Monolaurin|(+-)-2,3-Dihydroxypropyl dodecanoate|(+-)-glyceryl 1-monododecanoate|1-dodecanoylglycerol|1-Glyceryl laurate|1-Lauroyl-rac-glycerol|1-monododecanoylglycerol|1-monolauroyl-rac-glycerol|1-monolauroylglycerol|1-monomyristin|2,3-dihydroxypropyl dodecanoate|2,3-dihydroxypropyl laurate|3-Dodecanoyloxy-1,2-propanediol|alpha-Monolaurin|dodecanoic acid alpha-monoglyceride|dodecanoic acid, 2,3-dihydroxypropyl ester|EINECS 205-526-6|Glucerol alpha-monolaurate|Glycerin 1-monolaurate|Glycerol 1-laurate|Glycerol 1-monolaurate|Glyceryl laurate|Glyceryl monododecanoate|glyceryl monolaurate|lauric acid 1-monoglyceride|Lauric acid alpha-monoglyceride|lauricidin|rac-1-monolaurin|rac-1-monolauroylglycerol|UNII-WR963Y5QYW|40738-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041275
ARPathway2016 ARPathway2016_843 1-Monolaurin 142-18-7 DTXSID5041275 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCC(=O)OCC(O)CO 1-Monolaurin 142-18-7|1-Monolaurin|(+-)-2,3-Dihydroxypropyl dodecanoate|(+-)-glyceryl 1-monododecanoate|1-dodecanoylglycerol|1-Glyceryl laurate|1-Lauroyl-rac-glycerol|1-monododecanoylglycerol|1-monolauroyl-rac-glycerol|1-monolauroylglycerol|1-monomyristin|2,3-dihydroxypropyl dodecanoate|2,3-dihydroxypropyl laurate|3-Dodecanoyloxy-1,2-propanediol|alpha-Monolaurin|dodecanoic acid alpha-monoglyceride|dodecanoic acid, 2,3-dihydroxypropyl ester|EINECS 205-526-6|Glucerol alpha-monolaurate|Glycerin 1-monolaurate|Glycerol 1-laurate|Glycerol 1-monolaurate|Glyceryl laurate|Glyceryl monododecanoate|glyceryl monolaurate|lauric acid 1-monoglyceride|Lauric acid alpha-monoglyceride|lauricidin|rac-1-monolaurin|rac-1-monolauroylglycerol|UNII-WR963Y5QYW|40738-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041275
ARPathway2016 ARPathway2016_843 1-Monolaurin 142-18-7 DTXSID5041275 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCC(=O)OCC(O)CO 1-Monolaurin 142-18-7|1-Monolaurin|(+-)-2,3-Dihydroxypropyl dodecanoate|(+-)-glyceryl 1-monododecanoate|1-dodecanoylglycerol|1-Glyceryl laurate|1-Lauroyl-rac-glycerol|1-monododecanoylglycerol|1-monolauroyl-rac-glycerol|1-monolauroylglycerol|1-monomyristin|2,3-dihydroxypropyl dodecanoate|2,3-dihydroxypropyl laurate|3-Dodecanoyloxy-1,2-propanediol|alpha-Monolaurin|dodecanoic acid alpha-monoglyceride|dodecanoic acid, 2,3-dihydroxypropyl ester|EINECS 205-526-6|Glucerol alpha-monolaurate|Glycerin 1-monolaurate|Glycerol 1-laurate|Glycerol 1-monolaurate|Glyceryl laurate|Glyceryl monododecanoate|glyceryl monolaurate|lauric acid 1-monoglyceride|Lauric acid alpha-monoglyceride|lauricidin|rac-1-monolaurin|rac-1-monolauroylglycerol|UNII-WR963Y5QYW|40738-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041275
ERPathway2016 ERPathway2016_658 1-Monolaurin 142-18-7 DTXSID5041275 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCC(=O)OCC(O)CO 1-Monolaurin 142-18-7|1-Monolaurin|(+-)-2,3-Dihydroxypropyl dodecanoate|(+-)-glyceryl 1-monododecanoate|1-dodecanoylglycerol|1-Glyceryl laurate|1-Lauroyl-rac-glycerol|1-monododecanoylglycerol|1-monolauroyl-rac-glycerol|1-monolauroylglycerol|1-monomyristin|2,3-dihydroxypropyl dodecanoate|2,3-dihydroxypropyl laurate|3-Dodecanoyloxy-1,2-propanediol|alpha-Monolaurin|dodecanoic acid alpha-monoglyceride|dodecanoic acid, 2,3-dihydroxypropyl ester|EINECS 205-526-6|Glucerol alpha-monolaurate|Glycerin 1-monolaurate|Glycerol 1-laurate|Glycerol 1-monolaurate|Glyceryl laurate|Glyceryl monododecanoate|glyceryl monolaurate|lauric acid 1-monoglyceride|Lauric acid alpha-monoglyceride|lauricidin|rac-1-monolaurin|rac-1-monolauroylglycerol|UNII-WR963Y5QYW|40738-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041275
ERPathway2016 ERPathway2016_658 1-Monolaurin 142-18-7 DTXSID5041275 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCC(=O)OCC(O)CO 1-Monolaurin 142-18-7|1-Monolaurin|(+-)-2,3-Dihydroxypropyl dodecanoate|(+-)-glyceryl 1-monododecanoate|1-dodecanoylglycerol|1-Glyceryl laurate|1-Lauroyl-rac-glycerol|1-monododecanoylglycerol|1-monolauroyl-rac-glycerol|1-monolauroylglycerol|1-monomyristin|2,3-dihydroxypropyl dodecanoate|2,3-dihydroxypropyl laurate|3-Dodecanoyloxy-1,2-propanediol|alpha-Monolaurin|dodecanoic acid alpha-monoglyceride|dodecanoic acid, 2,3-dihydroxypropyl ester|EINECS 205-526-6|Glucerol alpha-monolaurate|Glycerin 1-monolaurate|Glycerol 1-laurate|Glycerol 1-monolaurate|Glyceryl laurate|Glyceryl monododecanoate|glyceryl monolaurate|lauric acid 1-monoglyceride|Lauric acid alpha-monoglyceride|lauricidin|rac-1-monolaurin|rac-1-monolauroylglycerol|UNII-WR963Y5QYW|40738-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041275
ERPathway2016 ERPathway2016_658 1-Monolaurin 142-18-7 DTXSID5041275 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCC(=O)OCC(O)CO 1-Monolaurin 142-18-7|1-Monolaurin|(+-)-2,3-Dihydroxypropyl dodecanoate|(+-)-glyceryl 1-monododecanoate|1-dodecanoylglycerol|1-Glyceryl laurate|1-Lauroyl-rac-glycerol|1-monododecanoylglycerol|1-monolauroyl-rac-glycerol|1-monolauroylglycerol|1-monomyristin|2,3-dihydroxypropyl dodecanoate|2,3-dihydroxypropyl laurate|3-Dodecanoyloxy-1,2-propanediol|alpha-Monolaurin|dodecanoic acid alpha-monoglyceride|dodecanoic acid, 2,3-dihydroxypropyl ester|EINECS 205-526-6|Glucerol alpha-monolaurate|Glycerin 1-monolaurate|Glycerol 1-laurate|Glycerol 1-monolaurate|Glyceryl laurate|Glyceryl monododecanoate|glyceryl monolaurate|lauric acid 1-monoglyceride|Lauric acid alpha-monoglyceride|lauricidin|rac-1-monolaurin|rac-1-monolauroylglycerol|UNII-WR963Y5QYW|40738-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041275
ERPathway2016 ERPathway2016_658 1-Monolaurin 142-18-7 DTXSID5041275 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCC(=O)OCC(O)CO 1-Monolaurin 142-18-7|1-Monolaurin|(+-)-2,3-Dihydroxypropyl dodecanoate|(+-)-glyceryl 1-monododecanoate|1-dodecanoylglycerol|1-Glyceryl laurate|1-Lauroyl-rac-glycerol|1-monododecanoylglycerol|1-monolauroyl-rac-glycerol|1-monolauroylglycerol|1-monomyristin|2,3-dihydroxypropyl dodecanoate|2,3-dihydroxypropyl laurate|3-Dodecanoyloxy-1,2-propanediol|alpha-Monolaurin|dodecanoic acid alpha-monoglyceride|dodecanoic acid, 2,3-dihydroxypropyl ester|EINECS 205-526-6|Glucerol alpha-monolaurate|Glycerin 1-monolaurate|Glycerol 1-laurate|Glycerol 1-monolaurate|Glyceryl laurate|Glyceryl monododecanoate|glyceryl monolaurate|lauric acid 1-monoglyceride|Lauric acid alpha-monoglyceride|lauricidin|rac-1-monolaurin|rac-1-monolauroylglycerol|UNII-WR963Y5QYW|40738-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041275
ARPathway2016 ARPathway2016_1656 1-Naphthaleneacetic acid 86-87-3 DTXSID8020915 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CC1=C2C=CC=CC2=CC=C1 1-Naphthaleneacetic acid 86-87-3|1-Naphthaleneacetic acid|1-Naphthaleneacetic acid|1-NAPHTHALINESSIGSAEURE|1-Naphthtaleneacetic acid|1-Naphthylessigsaeure|1-Naphthylessigsaure|2-(1-Naphthyl)acetic acid|2-(alpha-Naphthyl)ethanoic aid|2-(Naphthalen-1-yl)acetic acid|2-(a-Naphthyl)ethanoic acid|acide 1-naphtylacetique|Acide naphthylacetique|Acide naphtyl-1-acetique|Acide naphtylacetique|acido 1-naftilacetico|Agronaa|alpha-NAA|alpha-naphthaleneacetic acid|alpha-Naphthylacetic acid|alpha-Naphthyleneacetic acid|alpha-Naphthylessigsaeure|Alphaspra|Appl-set|Caswell No. 589|Celmone|EINECS 201-705-8|EPA Pesticide Chemical Code 056002|Floramon|Fruit Fix|Fruitofix|Fruitone N|Hormofix|Klingtite|Kyselina 1-naftyloctova|Liqui-stik|NAA|Nafusaku|Naphthalen-1-ylacetic acid|naphthalene-1-acetic acid|Naphthaleneacetic acid|Naphthyl-1-essigsaeure|NAPHTHYLACETIC ACID|Naphyl-1-essigsaeure|Niagara-stik|NSC 15772|NU-Tone|Phyomone|Pimacol-sol|Planofix|Planofixe|Plucker|Pomoxon|Primacol|Regenasol|Rhizopon B|Rhodofix|Stafast|Stimolante 66f|Stop-Drop|Tip-Off|Transplantone|Tre-hold|UNII-33T7G775|267410-73-1|61913-11-9|69072-67-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020915
ARPathway2016 ARPathway2016_1656 1-Naphthaleneacetic acid 86-87-3 DTXSID8020915 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)CC1=C2C=CC=CC2=CC=C1 1-Naphthaleneacetic acid 86-87-3|1-Naphthaleneacetic acid|1-Naphthaleneacetic acid|1-NAPHTHALINESSIGSAEURE|1-Naphthtaleneacetic acid|1-Naphthylessigsaeure|1-Naphthylessigsaure|2-(1-Naphthyl)acetic acid|2-(alpha-Naphthyl)ethanoic aid|2-(Naphthalen-1-yl)acetic acid|2-(a-Naphthyl)ethanoic acid|acide 1-naphtylacetique|Acide naphthylacetique|Acide naphtyl-1-acetique|Acide naphtylacetique|acido 1-naftilacetico|Agronaa|alpha-NAA|alpha-naphthaleneacetic acid|alpha-Naphthylacetic acid|alpha-Naphthyleneacetic acid|alpha-Naphthylessigsaeure|Alphaspra|Appl-set|Caswell No. 589|Celmone|EINECS 201-705-8|EPA Pesticide Chemical Code 056002|Floramon|Fruit Fix|Fruitofix|Fruitone N|Hormofix|Klingtite|Kyselina 1-naftyloctova|Liqui-stik|NAA|Nafusaku|Naphthalen-1-ylacetic acid|naphthalene-1-acetic acid|Naphthaleneacetic acid|Naphthyl-1-essigsaeure|NAPHTHYLACETIC ACID|Naphyl-1-essigsaeure|Niagara-stik|NSC 15772|NU-Tone|Phyomone|Pimacol-sol|Planofix|Planofixe|Plucker|Pomoxon|Primacol|Regenasol|Rhizopon B|Rhodofix|Stafast|Stimolante 66f|Stop-Drop|Tip-Off|Transplantone|Tre-hold|UNII-33T7G775|267410-73-1|61913-11-9|69072-67-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020915
ARPathway2016 ARPathway2016_1656 1-Naphthaleneacetic acid 86-87-3 DTXSID8020915 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)CC1=C2C=CC=CC2=CC=C1 1-Naphthaleneacetic acid 86-87-3|1-Naphthaleneacetic acid|1-Naphthaleneacetic acid|1-NAPHTHALINESSIGSAEURE|1-Naphthtaleneacetic acid|1-Naphthylessigsaeure|1-Naphthylessigsaure|2-(1-Naphthyl)acetic acid|2-(alpha-Naphthyl)ethanoic aid|2-(Naphthalen-1-yl)acetic acid|2-(a-Naphthyl)ethanoic acid|acide 1-naphtylacetique|Acide naphthylacetique|Acide naphtyl-1-acetique|Acide naphtylacetique|acido 1-naftilacetico|Agronaa|alpha-NAA|alpha-naphthaleneacetic acid|alpha-Naphthylacetic acid|alpha-Naphthyleneacetic acid|alpha-Naphthylessigsaeure|Alphaspra|Appl-set|Caswell No. 589|Celmone|EINECS 201-705-8|EPA Pesticide Chemical Code 056002|Floramon|Fruit Fix|Fruitofix|Fruitone N|Hormofix|Klingtite|Kyselina 1-naftyloctova|Liqui-stik|NAA|Nafusaku|Naphthalen-1-ylacetic acid|naphthalene-1-acetic acid|Naphthaleneacetic acid|Naphthyl-1-essigsaeure|NAPHTHYLACETIC ACID|Naphyl-1-essigsaeure|Niagara-stik|NSC 15772|NU-Tone|Phyomone|Pimacol-sol|Planofix|Planofixe|Plucker|Pomoxon|Primacol|Regenasol|Rhizopon B|Rhodofix|Stafast|Stimolante 66f|Stop-Drop|Tip-Off|Transplantone|Tre-hold|UNII-33T7G775|267410-73-1|61913-11-9|69072-67-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020915
ARPathway2016 ARPathway2016_1656 1-Naphthaleneacetic acid 86-87-3 DTXSID8020915 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)CC1=C2C=CC=CC2=CC=C1 1-Naphthaleneacetic acid 86-87-3|1-Naphthaleneacetic acid|1-Naphthaleneacetic acid|1-NAPHTHALINESSIGSAEURE|1-Naphthtaleneacetic acid|1-Naphthylessigsaeure|1-Naphthylessigsaure|2-(1-Naphthyl)acetic acid|2-(alpha-Naphthyl)ethanoic aid|2-(Naphthalen-1-yl)acetic acid|2-(a-Naphthyl)ethanoic acid|acide 1-naphtylacetique|Acide naphthylacetique|Acide naphtyl-1-acetique|Acide naphtylacetique|acido 1-naftilacetico|Agronaa|alpha-NAA|alpha-naphthaleneacetic acid|alpha-Naphthylacetic acid|alpha-Naphthyleneacetic acid|alpha-Naphthylessigsaeure|Alphaspra|Appl-set|Caswell No. 589|Celmone|EINECS 201-705-8|EPA Pesticide Chemical Code 056002|Floramon|Fruit Fix|Fruitofix|Fruitone N|Hormofix|Klingtite|Kyselina 1-naftyloctova|Liqui-stik|NAA|Nafusaku|Naphthalen-1-ylacetic acid|naphthalene-1-acetic acid|Naphthaleneacetic acid|Naphthyl-1-essigsaeure|NAPHTHYLACETIC ACID|Naphyl-1-essigsaeure|Niagara-stik|NSC 15772|NU-Tone|Phyomone|Pimacol-sol|Planofix|Planofixe|Plucker|Pomoxon|Primacol|Regenasol|Rhizopon B|Rhodofix|Stafast|Stimolante 66f|Stop-Drop|Tip-Off|Transplantone|Tre-hold|UNII-33T7G775|267410-73-1|61913-11-9|69072-67-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020915
ERPathway2016 ERPathway2016_1711 1-Naphthaleneacetic acid 86-87-3 DTXSID8020915 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)CC1=C2C=CC=CC2=CC=C1 1-Naphthaleneacetic acid 86-87-3|1-Naphthaleneacetic acid|1-Naphthaleneacetic acid|1-NAPHTHALINESSIGSAEURE|1-Naphthtaleneacetic acid|1-Naphthylessigsaeure|1-Naphthylessigsaure|2-(1-Naphthyl)acetic acid|2-(alpha-Naphthyl)ethanoic aid|2-(Naphthalen-1-yl)acetic acid|2-(a-Naphthyl)ethanoic acid|acide 1-naphtylacetique|Acide naphthylacetique|Acide naphtyl-1-acetique|Acide naphtylacetique|acido 1-naftilacetico|Agronaa|alpha-NAA|alpha-naphthaleneacetic acid|alpha-Naphthylacetic acid|alpha-Naphthyleneacetic acid|alpha-Naphthylessigsaeure|Alphaspra|Appl-set|Caswell No. 589|Celmone|EINECS 201-705-8|EPA Pesticide Chemical Code 056002|Floramon|Fruit Fix|Fruitofix|Fruitone N|Hormofix|Klingtite|Kyselina 1-naftyloctova|Liqui-stik|NAA|Nafusaku|Naphthalen-1-ylacetic acid|naphthalene-1-acetic acid|Naphthaleneacetic acid|Naphthyl-1-essigsaeure|NAPHTHYLACETIC ACID|Naphyl-1-essigsaeure|Niagara-stik|NSC 15772|NU-Tone|Phyomone|Pimacol-sol|Planofix|Planofixe|Plucker|Pomoxon|Primacol|Regenasol|Rhizopon B|Rhodofix|Stafast|Stimolante 66f|Stop-Drop|Tip-Off|Transplantone|Tre-hold|UNII-33T7G775|267410-73-1|61913-11-9|69072-67-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020915
ERPathway2016 ERPathway2016_1711 1-Naphthaleneacetic acid 86-87-3 DTXSID8020915 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CC1=C2C=CC=CC2=CC=C1 1-Naphthaleneacetic acid 86-87-3|1-Naphthaleneacetic acid|1-Naphthaleneacetic acid|1-NAPHTHALINESSIGSAEURE|1-Naphthtaleneacetic acid|1-Naphthylessigsaeure|1-Naphthylessigsaure|2-(1-Naphthyl)acetic acid|2-(alpha-Naphthyl)ethanoic aid|2-(Naphthalen-1-yl)acetic acid|2-(a-Naphthyl)ethanoic acid|acide 1-naphtylacetique|Acide naphthylacetique|Acide naphtyl-1-acetique|Acide naphtylacetique|acido 1-naftilacetico|Agronaa|alpha-NAA|alpha-naphthaleneacetic acid|alpha-Naphthylacetic acid|alpha-Naphthyleneacetic acid|alpha-Naphthylessigsaeure|Alphaspra|Appl-set|Caswell No. 589|Celmone|EINECS 201-705-8|EPA Pesticide Chemical Code 056002|Floramon|Fruit Fix|Fruitofix|Fruitone N|Hormofix|Klingtite|Kyselina 1-naftyloctova|Liqui-stik|NAA|Nafusaku|Naphthalen-1-ylacetic acid|naphthalene-1-acetic acid|Naphthaleneacetic acid|Naphthyl-1-essigsaeure|NAPHTHYLACETIC ACID|Naphyl-1-essigsaeure|Niagara-stik|NSC 15772|NU-Tone|Phyomone|Pimacol-sol|Planofix|Planofixe|Plucker|Pomoxon|Primacol|Regenasol|Rhizopon B|Rhodofix|Stafast|Stimolante 66f|Stop-Drop|Tip-Off|Transplantone|Tre-hold|UNII-33T7G775|267410-73-1|61913-11-9|69072-67-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020915
ERPathway2016 ERPathway2016_1711 1-Naphthaleneacetic acid 86-87-3 DTXSID8020915 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)CC1=C2C=CC=CC2=CC=C1 1-Naphthaleneacetic acid 86-87-3|1-Naphthaleneacetic acid|1-Naphthaleneacetic acid|1-NAPHTHALINESSIGSAEURE|1-Naphthtaleneacetic acid|1-Naphthylessigsaeure|1-Naphthylessigsaure|2-(1-Naphthyl)acetic acid|2-(alpha-Naphthyl)ethanoic aid|2-(Naphthalen-1-yl)acetic acid|2-(a-Naphthyl)ethanoic acid|acide 1-naphtylacetique|Acide naphthylacetique|Acide naphtyl-1-acetique|Acide naphtylacetique|acido 1-naftilacetico|Agronaa|alpha-NAA|alpha-naphthaleneacetic acid|alpha-Naphthylacetic acid|alpha-Naphthyleneacetic acid|alpha-Naphthylessigsaeure|Alphaspra|Appl-set|Caswell No. 589|Celmone|EINECS 201-705-8|EPA Pesticide Chemical Code 056002|Floramon|Fruit Fix|Fruitofix|Fruitone N|Hormofix|Klingtite|Kyselina 1-naftyloctova|Liqui-stik|NAA|Nafusaku|Naphthalen-1-ylacetic acid|naphthalene-1-acetic acid|Naphthaleneacetic acid|Naphthyl-1-essigsaeure|NAPHTHYLACETIC ACID|Naphyl-1-essigsaeure|Niagara-stik|NSC 15772|NU-Tone|Phyomone|Pimacol-sol|Planofix|Planofixe|Plucker|Pomoxon|Primacol|Regenasol|Rhizopon B|Rhodofix|Stafast|Stimolante 66f|Stop-Drop|Tip-Off|Transplantone|Tre-hold|UNII-33T7G775|267410-73-1|61913-11-9|69072-67-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020915
ERPathway2016 ERPathway2016_1711 1-Naphthaleneacetic acid 86-87-3 DTXSID8020915 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)CC1=C2C=CC=CC2=CC=C1 1-Naphthaleneacetic acid 86-87-3|1-Naphthaleneacetic acid|1-Naphthaleneacetic acid|1-NAPHTHALINESSIGSAEURE|1-Naphthtaleneacetic acid|1-Naphthylessigsaeure|1-Naphthylessigsaure|2-(1-Naphthyl)acetic acid|2-(alpha-Naphthyl)ethanoic aid|2-(Naphthalen-1-yl)acetic acid|2-(a-Naphthyl)ethanoic acid|acide 1-naphtylacetique|Acide naphthylacetique|Acide naphtyl-1-acetique|Acide naphtylacetique|acido 1-naftilacetico|Agronaa|alpha-NAA|alpha-naphthaleneacetic acid|alpha-Naphthylacetic acid|alpha-Naphthyleneacetic acid|alpha-Naphthylessigsaeure|Alphaspra|Appl-set|Caswell No. 589|Celmone|EINECS 201-705-8|EPA Pesticide Chemical Code 056002|Floramon|Fruit Fix|Fruitofix|Fruitone N|Hormofix|Klingtite|Kyselina 1-naftyloctova|Liqui-stik|NAA|Nafusaku|Naphthalen-1-ylacetic acid|naphthalene-1-acetic acid|Naphthaleneacetic acid|Naphthyl-1-essigsaeure|NAPHTHYLACETIC ACID|Naphyl-1-essigsaeure|Niagara-stik|NSC 15772|NU-Tone|Phyomone|Pimacol-sol|Planofix|Planofixe|Plucker|Pomoxon|Primacol|Regenasol|Rhizopon B|Rhodofix|Stafast|Stimolante 66f|Stop-Drop|Tip-Off|Transplantone|Tre-hold|UNII-33T7G775|267410-73-1|61913-11-9|69072-67-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020915
ARPathway2016 ARPathway2016_1700 1-Naphthol 90-15-3 DTXSID6021793 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=CC2=CC=CC=C12 1-Naphthol 90-15-3|1-Naphthol|1-HYDROXYNAPHTHALENE|1-naphthalenol|1-Naphthyl alcohol|alpha-hydroxynaphthalene|alpha-Naphthol|alpha-Naphthyl alcohol|BASF Ursol ERN|C.I. Oxidation Base 33|CI Oxidation Base 33|Durafur Developer D|EINECS 201-969-4|Fouramine ERN|Fourrine 99|Fourrine ERN|Furro ER|Nako TRB|NAPHTHOL|Naphthol-1|NAPHTHOL, a-|Naphthyl-1-ol|NSC 9586|Oxidation Base 33|Tertral ERN|UNII-2A71EAQ389|Ursol ERN|Zoba ERN|a-Hydroxynaphthalene|A-NAPHTHOL|a-Naphthyl alcohol|50356-21-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021793
ARPathway2016 ARPathway2016_1700 1-Naphthol 90-15-3 DTXSID6021793 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=CC2=CC=CC=C12 1-Naphthol 90-15-3|1-Naphthol|1-HYDROXYNAPHTHALENE|1-naphthalenol|1-Naphthyl alcohol|alpha-hydroxynaphthalene|alpha-Naphthol|alpha-Naphthyl alcohol|BASF Ursol ERN|C.I. Oxidation Base 33|CI Oxidation Base 33|Durafur Developer D|EINECS 201-969-4|Fouramine ERN|Fourrine 99|Fourrine ERN|Furro ER|Nako TRB|NAPHTHOL|Naphthol-1|NAPHTHOL, a-|Naphthyl-1-ol|NSC 9586|Oxidation Base 33|Tertral ERN|UNII-2A71EAQ389|Ursol ERN|Zoba ERN|a-Hydroxynaphthalene|A-NAPHTHOL|a-Naphthyl alcohol|50356-21-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021793
ARPathway2016 ARPathway2016_1700 1-Naphthol 90-15-3 DTXSID6021793 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC=CC2=CC=CC=C12 1-Naphthol 90-15-3|1-Naphthol|1-HYDROXYNAPHTHALENE|1-naphthalenol|1-Naphthyl alcohol|alpha-hydroxynaphthalene|alpha-Naphthol|alpha-Naphthyl alcohol|BASF Ursol ERN|C.I. Oxidation Base 33|CI Oxidation Base 33|Durafur Developer D|EINECS 201-969-4|Fouramine ERN|Fourrine 99|Fourrine ERN|Furro ER|Nako TRB|NAPHTHOL|Naphthol-1|NAPHTHOL, a-|Naphthyl-1-ol|NSC 9586|Oxidation Base 33|Tertral ERN|UNII-2A71EAQ389|Ursol ERN|Zoba ERN|a-Hydroxynaphthalene|A-NAPHTHOL|a-Naphthyl alcohol|50356-21-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021793
ARPathway2016 ARPathway2016_1700 1-Naphthol 90-15-3 DTXSID6021793 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=CC2=CC=CC=C12 1-Naphthol 90-15-3|1-Naphthol|1-HYDROXYNAPHTHALENE|1-naphthalenol|1-Naphthyl alcohol|alpha-hydroxynaphthalene|alpha-Naphthol|alpha-Naphthyl alcohol|BASF Ursol ERN|C.I. Oxidation Base 33|CI Oxidation Base 33|Durafur Developer D|EINECS 201-969-4|Fouramine ERN|Fourrine 99|Fourrine ERN|Furro ER|Nako TRB|NAPHTHOL|Naphthol-1|NAPHTHOL, a-|Naphthyl-1-ol|NSC 9586|Oxidation Base 33|Tertral ERN|UNII-2A71EAQ389|Ursol ERN|Zoba ERN|a-Hydroxynaphthalene|A-NAPHTHOL|a-Naphthyl alcohol|50356-21-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021793
ERPathway2016 ERPathway2016_328 1-Naphthol 90-15-3 DTXSID6021793 ER Pathway Model, Antagonist AC50 41.6250028012423 uM OC1=CC=CC2=CC=CC=C12 1-Naphthol 90-15-3|1-Naphthol|1-HYDROXYNAPHTHALENE|1-naphthalenol|1-Naphthyl alcohol|alpha-hydroxynaphthalene|alpha-Naphthol|alpha-Naphthyl alcohol|BASF Ursol ERN|C.I. Oxidation Base 33|CI Oxidation Base 33|Durafur Developer D|EINECS 201-969-4|Fouramine ERN|Fourrine 99|Fourrine ERN|Furro ER|Nako TRB|NAPHTHOL|Naphthol-1|NAPHTHOL, a-|Naphthyl-1-ol|NSC 9586|Oxidation Base 33|Tertral ERN|UNII-2A71EAQ389|Ursol ERN|Zoba ERN|a-Hydroxynaphthalene|A-NAPHTHOL|a-Naphthyl alcohol|50356-21-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021793
ERPathway2016 ERPathway2016_328 1-Naphthol 90-15-3 DTXSID6021793 ER Pathway Model, Antagonist ACC 26.3047473279735 uM OC1=CC=CC2=CC=CC=C12 1-Naphthol 90-15-3|1-Naphthol|1-HYDROXYNAPHTHALENE|1-naphthalenol|1-Naphthyl alcohol|alpha-hydroxynaphthalene|alpha-Naphthol|alpha-Naphthyl alcohol|BASF Ursol ERN|C.I. Oxidation Base 33|CI Oxidation Base 33|Durafur Developer D|EINECS 201-969-4|Fouramine ERN|Fourrine 99|Fourrine ERN|Furro ER|Nako TRB|NAPHTHOL|Naphthol-1|NAPHTHOL, a-|Naphthyl-1-ol|NSC 9586|Oxidation Base 33|Tertral ERN|UNII-2A71EAQ389|Ursol ERN|Zoba ERN|a-Hydroxynaphthalene|A-NAPHTHOL|a-Naphthyl alcohol|50356-21-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021793
ERPathway2016 ERPathway2016_328 1-Naphthol 90-15-3 DTXSID6021793 ER Pathway Model, Agonist Model Score 0.0232 Unitless OC1=CC=CC2=CC=CC=C12 1-Naphthol 90-15-3|1-Naphthol|1-HYDROXYNAPHTHALENE|1-naphthalenol|1-Naphthyl alcohol|alpha-hydroxynaphthalene|alpha-Naphthol|alpha-Naphthyl alcohol|BASF Ursol ERN|C.I. Oxidation Base 33|CI Oxidation Base 33|Durafur Developer D|EINECS 201-969-4|Fouramine ERN|Fourrine 99|Fourrine ERN|Furro ER|Nako TRB|NAPHTHOL|Naphthol-1|NAPHTHOL, a-|Naphthyl-1-ol|NSC 9586|Oxidation Base 33|Tertral ERN|UNII-2A71EAQ389|Ursol ERN|Zoba ERN|a-Hydroxynaphthalene|A-NAPHTHOL|a-Naphthyl alcohol|50356-21-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021793
ERPathway2016 ERPathway2016_328 1-Naphthol 90-15-3 DTXSID6021793 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=CC2=CC=CC=C12 1-Naphthol 90-15-3|1-Naphthol|1-HYDROXYNAPHTHALENE|1-naphthalenol|1-Naphthyl alcohol|alpha-hydroxynaphthalene|alpha-Naphthol|alpha-Naphthyl alcohol|BASF Ursol ERN|C.I. Oxidation Base 33|CI Oxidation Base 33|Durafur Developer D|EINECS 201-969-4|Fouramine ERN|Fourrine 99|Fourrine ERN|Furro ER|Nako TRB|NAPHTHOL|Naphthol-1|NAPHTHOL, a-|Naphthyl-1-ol|NSC 9586|Oxidation Base 33|Tertral ERN|UNII-2A71EAQ389|Ursol ERN|Zoba ERN|a-Hydroxynaphthalene|A-NAPHTHOL|a-Naphthyl alcohol|50356-21-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021793
ERPathway2016 ERPathway2016_328 1-Naphthol 90-15-3 DTXSID6021793 ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=CC2=CC=CC=C12 1-Naphthol 90-15-3|1-Naphthol|1-HYDROXYNAPHTHALENE|1-naphthalenol|1-Naphthyl alcohol|alpha-hydroxynaphthalene|alpha-Naphthol|alpha-Naphthyl alcohol|BASF Ursol ERN|C.I. Oxidation Base 33|CI Oxidation Base 33|Durafur Developer D|EINECS 201-969-4|Fouramine ERN|Fourrine 99|Fourrine ERN|Furro ER|Nako TRB|NAPHTHOL|Naphthol-1|NAPHTHOL, a-|Naphthyl-1-ol|NSC 9586|Oxidation Base 33|Tertral ERN|UNII-2A71EAQ389|Ursol ERN|Zoba ERN|a-Hydroxynaphthalene|A-NAPHTHOL|a-Naphthyl alcohol|50356-21-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021793
ERPathway2016 ERPathway2016_328 1-Naphthol 90-15-3 DTXSID6021793 ER Pathway Model, Antagonist Call Active Unitless OC1=CC=CC2=CC=CC=C12 1-Naphthol 90-15-3|1-Naphthol|1-HYDROXYNAPHTHALENE|1-naphthalenol|1-Naphthyl alcohol|alpha-hydroxynaphthalene|alpha-Naphthol|alpha-Naphthyl alcohol|BASF Ursol ERN|C.I. Oxidation Base 33|CI Oxidation Base 33|Durafur Developer D|EINECS 201-969-4|Fouramine ERN|Fourrine 99|Fourrine ERN|Furro ER|Nako TRB|NAPHTHOL|Naphthol-1|NAPHTHOL, a-|Naphthyl-1-ol|NSC 9586|Oxidation Base 33|Tertral ERN|UNII-2A71EAQ389|Ursol ERN|Zoba ERN|a-Hydroxynaphthalene|A-NAPHTHOL|a-Naphthyl alcohol|50356-21-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021793
ARPathway2016 ARPathway2016_850 1-Nonanol 143-08-8 DTXSID6022008 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCO 1-Nonanol 143-08-8|1-Nonanol|1-Hydroxynonane|4-01-00-01798|Acovenoside c|ALCOHOL C-9|Alcohol C9|BRN 0969213|EINECS 205-583-7|Fatty alcohol(C9)|FEMA 2789|FEMA No. 2789|n-Nonan-1-ol|n-Nonyl alcohol|nonan-1-ol|nonane-1-ol|Nonanol|Nonyl alcohol|Nonyl alcohol, 8CI|NSC 5521|Octyl carbinol|Pelargonic alcohol|UNII-NGK73Q6XMC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022008
ARPathway2016 ARPathway2016_850 1-Nonanol 143-08-8 DTXSID6022008 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCO 1-Nonanol 143-08-8|1-Nonanol|1-Hydroxynonane|4-01-00-01798|Acovenoside c|ALCOHOL C-9|Alcohol C9|BRN 0969213|EINECS 205-583-7|Fatty alcohol(C9)|FEMA 2789|FEMA No. 2789|n-Nonan-1-ol|n-Nonyl alcohol|nonan-1-ol|nonane-1-ol|Nonanol|Nonyl alcohol|Nonyl alcohol, 8CI|NSC 5521|Octyl carbinol|Pelargonic alcohol|UNII-NGK73Q6XMC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022008
ARPathway2016 ARPathway2016_850 1-Nonanol 143-08-8 DTXSID6022008 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCO 1-Nonanol 143-08-8|1-Nonanol|1-Hydroxynonane|4-01-00-01798|Acovenoside c|ALCOHOL C-9|Alcohol C9|BRN 0969213|EINECS 205-583-7|Fatty alcohol(C9)|FEMA 2789|FEMA No. 2789|n-Nonan-1-ol|n-Nonyl alcohol|nonan-1-ol|nonane-1-ol|Nonanol|Nonyl alcohol|Nonyl alcohol, 8CI|NSC 5521|Octyl carbinol|Pelargonic alcohol|UNII-NGK73Q6XMC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022008
ARPathway2016 ARPathway2016_850 1-Nonanol 143-08-8 DTXSID6022008 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCO 1-Nonanol 143-08-8|1-Nonanol|1-Hydroxynonane|4-01-00-01798|Acovenoside c|ALCOHOL C-9|Alcohol C9|BRN 0969213|EINECS 205-583-7|Fatty alcohol(C9)|FEMA 2789|FEMA No. 2789|n-Nonan-1-ol|n-Nonyl alcohol|nonan-1-ol|nonane-1-ol|Nonanol|Nonyl alcohol|Nonyl alcohol, 8CI|NSC 5521|Octyl carbinol|Pelargonic alcohol|UNII-NGK73Q6XMC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022008
ERPathway2016 ERPathway2016_1305 1-Nonanol 143-08-8 DTXSID6022008 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCO 1-Nonanol 143-08-8|1-Nonanol|1-Hydroxynonane|4-01-00-01798|Acovenoside c|ALCOHOL C-9|Alcohol C9|BRN 0969213|EINECS 205-583-7|Fatty alcohol(C9)|FEMA 2789|FEMA No. 2789|n-Nonan-1-ol|n-Nonyl alcohol|nonan-1-ol|nonane-1-ol|Nonanol|Nonyl alcohol|Nonyl alcohol, 8CI|NSC 5521|Octyl carbinol|Pelargonic alcohol|UNII-NGK73Q6XMC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022008
ERPathway2016 ERPathway2016_1305 1-Nonanol 143-08-8 DTXSID6022008 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCO 1-Nonanol 143-08-8|1-Nonanol|1-Hydroxynonane|4-01-00-01798|Acovenoside c|ALCOHOL C-9|Alcohol C9|BRN 0969213|EINECS 205-583-7|Fatty alcohol(C9)|FEMA 2789|FEMA No. 2789|n-Nonan-1-ol|n-Nonyl alcohol|nonan-1-ol|nonane-1-ol|Nonanol|Nonyl alcohol|Nonyl alcohol, 8CI|NSC 5521|Octyl carbinol|Pelargonic alcohol|UNII-NGK73Q6XMC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022008
ERPathway2016 ERPathway2016_1305 1-Nonanol 143-08-8 DTXSID6022008 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCO 1-Nonanol 143-08-8|1-Nonanol|1-Hydroxynonane|4-01-00-01798|Acovenoside c|ALCOHOL C-9|Alcohol C9|BRN 0969213|EINECS 205-583-7|Fatty alcohol(C9)|FEMA 2789|FEMA No. 2789|n-Nonan-1-ol|n-Nonyl alcohol|nonan-1-ol|nonane-1-ol|Nonanol|Nonyl alcohol|Nonyl alcohol, 8CI|NSC 5521|Octyl carbinol|Pelargonic alcohol|UNII-NGK73Q6XMC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022008
ERPathway2016 ERPathway2016_1305 1-Nonanol 143-08-8 DTXSID6022008 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCO 1-Nonanol 143-08-8|1-Nonanol|1-Hydroxynonane|4-01-00-01798|Acovenoside c|ALCOHOL C-9|Alcohol C9|BRN 0969213|EINECS 205-583-7|Fatty alcohol(C9)|FEMA 2789|FEMA No. 2789|n-Nonan-1-ol|n-Nonyl alcohol|nonan-1-ol|nonane-1-ol|Nonanol|Nonyl alcohol|Nonyl alcohol, 8CI|NSC 5521|Octyl carbinol|Pelargonic alcohol|UNII-NGK73Q6XMC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022008
ARPathway2016 ARPathway2016_582 1-Octanol 111-87-5 DTXSID7021940 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCO 1-Octanol 111-87-5|1-Octanol|1-Hydroxyoctane|1-Oktanol|ALCOHOL C-8|Alfol 8|capryl alcohol|Caprylic alcohol|Caswell No. 611A|Dytol m-83|EINECS 203-917-6|Emery 3322|Emery 3324|EPA Pesticide Chemical Code 079037|Epal 8|Fatty alcohol(C8)|FEMA No. 2800|FEMA Number 2800|Heptyl carbinol|Hexyl methyl carbinol|Kalcohl 0898|Kalcol 0898|Lorol 20|Lorol C 8-98|Lorol C8|n-Caprylic alcohol|n-heptyl carbinol|n-Octan-1-ol|n-Octanol|n-Octyl alcohol|N-Octyl-alcohol|NSC 9823|octan-1-ol|octane-1-ol|Octanol|Octilin|OCTYL ALCOHOL|Octyl alcohol normal-primary|Octyl alcohol, normal-primary|Octyl alcohol, primary|Octyl-alcohol|Prim-N-octyl alcohol|primary octyl alcohol|Sipol L8|UNII-NV1779205D|220713-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021940
ARPathway2016 ARPathway2016_582 1-Octanol 111-87-5 DTXSID7021940 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCO 1-Octanol 111-87-5|1-Octanol|1-Hydroxyoctane|1-Oktanol|ALCOHOL C-8|Alfol 8|capryl alcohol|Caprylic alcohol|Caswell No. 611A|Dytol m-83|EINECS 203-917-6|Emery 3322|Emery 3324|EPA Pesticide Chemical Code 079037|Epal 8|Fatty alcohol(C8)|FEMA No. 2800|FEMA Number 2800|Heptyl carbinol|Hexyl methyl carbinol|Kalcohl 0898|Kalcol 0898|Lorol 20|Lorol C 8-98|Lorol C8|n-Caprylic alcohol|n-heptyl carbinol|n-Octan-1-ol|n-Octanol|n-Octyl alcohol|N-Octyl-alcohol|NSC 9823|octan-1-ol|octane-1-ol|Octanol|Octilin|OCTYL ALCOHOL|Octyl alcohol normal-primary|Octyl alcohol, normal-primary|Octyl alcohol, primary|Octyl-alcohol|Prim-N-octyl alcohol|primary octyl alcohol|Sipol L8|UNII-NV1779205D|220713-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021940
ARPathway2016 ARPathway2016_582 1-Octanol 111-87-5 DTXSID7021940 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCO 1-Octanol 111-87-5|1-Octanol|1-Hydroxyoctane|1-Oktanol|ALCOHOL C-8|Alfol 8|capryl alcohol|Caprylic alcohol|Caswell No. 611A|Dytol m-83|EINECS 203-917-6|Emery 3322|Emery 3324|EPA Pesticide Chemical Code 079037|Epal 8|Fatty alcohol(C8)|FEMA No. 2800|FEMA Number 2800|Heptyl carbinol|Hexyl methyl carbinol|Kalcohl 0898|Kalcol 0898|Lorol 20|Lorol C 8-98|Lorol C8|n-Caprylic alcohol|n-heptyl carbinol|n-Octan-1-ol|n-Octanol|n-Octyl alcohol|N-Octyl-alcohol|NSC 9823|octan-1-ol|octane-1-ol|Octanol|Octilin|OCTYL ALCOHOL|Octyl alcohol normal-primary|Octyl alcohol, normal-primary|Octyl alcohol, primary|Octyl-alcohol|Prim-N-octyl alcohol|primary octyl alcohol|Sipol L8|UNII-NV1779205D|220713-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021940
ARPathway2016 ARPathway2016_582 1-Octanol 111-87-5 DTXSID7021940 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCO 1-Octanol 111-87-5|1-Octanol|1-Hydroxyoctane|1-Oktanol|ALCOHOL C-8|Alfol 8|capryl alcohol|Caprylic alcohol|Caswell No. 611A|Dytol m-83|EINECS 203-917-6|Emery 3322|Emery 3324|EPA Pesticide Chemical Code 079037|Epal 8|Fatty alcohol(C8)|FEMA No. 2800|FEMA Number 2800|Heptyl carbinol|Hexyl methyl carbinol|Kalcohl 0898|Kalcol 0898|Lorol 20|Lorol C 8-98|Lorol C8|n-Caprylic alcohol|n-heptyl carbinol|n-Octan-1-ol|n-Octanol|n-Octyl alcohol|N-Octyl-alcohol|NSC 9823|octan-1-ol|octane-1-ol|Octanol|Octilin|OCTYL ALCOHOL|Octyl alcohol normal-primary|Octyl alcohol, normal-primary|Octyl alcohol, primary|Octyl-alcohol|Prim-N-octyl alcohol|primary octyl alcohol|Sipol L8|UNII-NV1779205D|220713-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021940
ERPathway2016 ERPathway2016_1159 1-Octanol 111-87-5 DTXSID7021940 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCO 1-Octanol 111-87-5|1-Octanol|1-Hydroxyoctane|1-Oktanol|ALCOHOL C-8|Alfol 8|capryl alcohol|Caprylic alcohol|Caswell No. 611A|Dytol m-83|EINECS 203-917-6|Emery 3322|Emery 3324|EPA Pesticide Chemical Code 079037|Epal 8|Fatty alcohol(C8)|FEMA No. 2800|FEMA Number 2800|Heptyl carbinol|Hexyl methyl carbinol|Kalcohl 0898|Kalcol 0898|Lorol 20|Lorol C 8-98|Lorol C8|n-Caprylic alcohol|n-heptyl carbinol|n-Octan-1-ol|n-Octanol|n-Octyl alcohol|N-Octyl-alcohol|NSC 9823|octan-1-ol|octane-1-ol|Octanol|Octilin|OCTYL ALCOHOL|Octyl alcohol normal-primary|Octyl alcohol, normal-primary|Octyl alcohol, primary|Octyl-alcohol|Prim-N-octyl alcohol|primary octyl alcohol|Sipol L8|UNII-NV1779205D|220713-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021940
ERPathway2016 ERPathway2016_1159 1-Octanol 111-87-5 DTXSID7021940 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCO 1-Octanol 111-87-5|1-Octanol|1-Hydroxyoctane|1-Oktanol|ALCOHOL C-8|Alfol 8|capryl alcohol|Caprylic alcohol|Caswell No. 611A|Dytol m-83|EINECS 203-917-6|Emery 3322|Emery 3324|EPA Pesticide Chemical Code 079037|Epal 8|Fatty alcohol(C8)|FEMA No. 2800|FEMA Number 2800|Heptyl carbinol|Hexyl methyl carbinol|Kalcohl 0898|Kalcol 0898|Lorol 20|Lorol C 8-98|Lorol C8|n-Caprylic alcohol|n-heptyl carbinol|n-Octan-1-ol|n-Octanol|n-Octyl alcohol|N-Octyl-alcohol|NSC 9823|octan-1-ol|octane-1-ol|Octanol|Octilin|OCTYL ALCOHOL|Octyl alcohol normal-primary|Octyl alcohol, normal-primary|Octyl alcohol, primary|Octyl-alcohol|Prim-N-octyl alcohol|primary octyl alcohol|Sipol L8|UNII-NV1779205D|220713-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021940
ERPathway2016 ERPathway2016_1159 1-Octanol 111-87-5 DTXSID7021940 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCO 1-Octanol 111-87-5|1-Octanol|1-Hydroxyoctane|1-Oktanol|ALCOHOL C-8|Alfol 8|capryl alcohol|Caprylic alcohol|Caswell No. 611A|Dytol m-83|EINECS 203-917-6|Emery 3322|Emery 3324|EPA Pesticide Chemical Code 079037|Epal 8|Fatty alcohol(C8)|FEMA No. 2800|FEMA Number 2800|Heptyl carbinol|Hexyl methyl carbinol|Kalcohl 0898|Kalcol 0898|Lorol 20|Lorol C 8-98|Lorol C8|n-Caprylic alcohol|n-heptyl carbinol|n-Octan-1-ol|n-Octanol|n-Octyl alcohol|N-Octyl-alcohol|NSC 9823|octan-1-ol|octane-1-ol|Octanol|Octilin|OCTYL ALCOHOL|Octyl alcohol normal-primary|Octyl alcohol, normal-primary|Octyl alcohol, primary|Octyl-alcohol|Prim-N-octyl alcohol|primary octyl alcohol|Sipol L8|UNII-NV1779205D|220713-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021940
ERPathway2016 ERPathway2016_1159 1-Octanol 111-87-5 DTXSID7021940 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCO 1-Octanol 111-87-5|1-Octanol|1-Hydroxyoctane|1-Oktanol|ALCOHOL C-8|Alfol 8|capryl alcohol|Caprylic alcohol|Caswell No. 611A|Dytol m-83|EINECS 203-917-6|Emery 3322|Emery 3324|EPA Pesticide Chemical Code 079037|Epal 8|Fatty alcohol(C8)|FEMA No. 2800|FEMA Number 2800|Heptyl carbinol|Hexyl methyl carbinol|Kalcohl 0898|Kalcol 0898|Lorol 20|Lorol C 8-98|Lorol C8|n-Caprylic alcohol|n-heptyl carbinol|n-Octan-1-ol|n-Octanol|n-Octyl alcohol|N-Octyl-alcohol|NSC 9823|octan-1-ol|octane-1-ol|Octanol|Octilin|OCTYL ALCOHOL|Octyl alcohol normal-primary|Octyl alcohol, normal-primary|Octyl alcohol, primary|Octyl-alcohol|Prim-N-octyl alcohol|primary octyl alcohol|Sipol L8|UNII-NV1779205D|220713-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021940
ARPathway2016 ARPathway2016_1156 1-Octen-3-ol 3391-86-4 DTXSID3035214 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCC(O)C=C 1-Octen-3-ol 3391-86-4|1-Octen-3-ol|(.+-.)-1-Octen-3-ol|1-Okten-3-ol|1-Vinylhexanol|3-Hydroxy-1-octene|Amyl vinyl carbinol|Amylvinylcarbinol|BRN 1744110|dl-1-Octen-3-ol|EINECS 222-226-0|EPA Pesticide Chemical Code 069037|FEMA No. 2805|Matsuica alcohol|mushroom alcohol|n-Oct-1-en-3-ol|NSC 87563|Oct-1-en-3-ol|oct-1-ene-3-ol|oct-1-eno-3-ol|octene-1-ol-3|Pentyl vinyl carbinol|Pentylvinylcarbinol|Primaverol|UNII-WXB511GE38|Vinyl amyl carbinol|vinyl hexanol|50999-79-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3035214
ARPathway2016 ARPathway2016_1156 1-Octen-3-ol 3391-86-4 DTXSID3035214 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCC(O)C=C 1-Octen-3-ol 3391-86-4|1-Octen-3-ol|(.+-.)-1-Octen-3-ol|1-Okten-3-ol|1-Vinylhexanol|3-Hydroxy-1-octene|Amyl vinyl carbinol|Amylvinylcarbinol|BRN 1744110|dl-1-Octen-3-ol|EINECS 222-226-0|EPA Pesticide Chemical Code 069037|FEMA No. 2805|Matsuica alcohol|mushroom alcohol|n-Oct-1-en-3-ol|NSC 87563|Oct-1-en-3-ol|oct-1-ene-3-ol|oct-1-eno-3-ol|octene-1-ol-3|Pentyl vinyl carbinol|Pentylvinylcarbinol|Primaverol|UNII-WXB511GE38|Vinyl amyl carbinol|vinyl hexanol|50999-79-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3035214
ARPathway2016 ARPathway2016_1156 1-Octen-3-ol 3391-86-4 DTXSID3035214 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCC(O)C=C 1-Octen-3-ol 3391-86-4|1-Octen-3-ol|(.+-.)-1-Octen-3-ol|1-Okten-3-ol|1-Vinylhexanol|3-Hydroxy-1-octene|Amyl vinyl carbinol|Amylvinylcarbinol|BRN 1744110|dl-1-Octen-3-ol|EINECS 222-226-0|EPA Pesticide Chemical Code 069037|FEMA No. 2805|Matsuica alcohol|mushroom alcohol|n-Oct-1-en-3-ol|NSC 87563|Oct-1-en-3-ol|oct-1-ene-3-ol|oct-1-eno-3-ol|octene-1-ol-3|Pentyl vinyl carbinol|Pentylvinylcarbinol|Primaverol|UNII-WXB511GE38|Vinyl amyl carbinol|vinyl hexanol|50999-79-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3035214
ARPathway2016 ARPathway2016_1156 1-Octen-3-ol 3391-86-4 DTXSID3035214 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCC(O)C=C 1-Octen-3-ol 3391-86-4|1-Octen-3-ol|(.+-.)-1-Octen-3-ol|1-Okten-3-ol|1-Vinylhexanol|3-Hydroxy-1-octene|Amyl vinyl carbinol|Amylvinylcarbinol|BRN 1744110|dl-1-Octen-3-ol|EINECS 222-226-0|EPA Pesticide Chemical Code 069037|FEMA No. 2805|Matsuica alcohol|mushroom alcohol|n-Oct-1-en-3-ol|NSC 87563|Oct-1-en-3-ol|oct-1-ene-3-ol|oct-1-eno-3-ol|octene-1-ol-3|Pentyl vinyl carbinol|Pentylvinylcarbinol|Primaverol|UNII-WXB511GE38|Vinyl amyl carbinol|vinyl hexanol|50999-79-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3035214
ERPathway2016 ERPathway2016_800 1-Octen-3-ol 3391-86-4 DTXSID3035214 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCC(O)C=C 1-Octen-3-ol 3391-86-4|1-Octen-3-ol|(.+-.)-1-Octen-3-ol|1-Okten-3-ol|1-Vinylhexanol|3-Hydroxy-1-octene|Amyl vinyl carbinol|Amylvinylcarbinol|BRN 1744110|dl-1-Octen-3-ol|EINECS 222-226-0|EPA Pesticide Chemical Code 069037|FEMA No. 2805|Matsuica alcohol|mushroom alcohol|n-Oct-1-en-3-ol|NSC 87563|Oct-1-en-3-ol|oct-1-ene-3-ol|oct-1-eno-3-ol|octene-1-ol-3|Pentyl vinyl carbinol|Pentylvinylcarbinol|Primaverol|UNII-WXB511GE38|Vinyl amyl carbinol|vinyl hexanol|50999-79-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3035214
ERPathway2016 ERPathway2016_800 1-Octen-3-ol 3391-86-4 DTXSID3035214 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCC(O)C=C 1-Octen-3-ol 3391-86-4|1-Octen-3-ol|(.+-.)-1-Octen-3-ol|1-Okten-3-ol|1-Vinylhexanol|3-Hydroxy-1-octene|Amyl vinyl carbinol|Amylvinylcarbinol|BRN 1744110|dl-1-Octen-3-ol|EINECS 222-226-0|EPA Pesticide Chemical Code 069037|FEMA No. 2805|Matsuica alcohol|mushroom alcohol|n-Oct-1-en-3-ol|NSC 87563|Oct-1-en-3-ol|oct-1-ene-3-ol|oct-1-eno-3-ol|octene-1-ol-3|Pentyl vinyl carbinol|Pentylvinylcarbinol|Primaverol|UNII-WXB511GE38|Vinyl amyl carbinol|vinyl hexanol|50999-79-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3035214
ERPathway2016 ERPathway2016_800 1-Octen-3-ol 3391-86-4 DTXSID3035214 ER Pathway Model, Agonist Call Inactive Unitless CCCCCC(O)C=C 1-Octen-3-ol 3391-86-4|1-Octen-3-ol|(.+-.)-1-Octen-3-ol|1-Okten-3-ol|1-Vinylhexanol|3-Hydroxy-1-octene|Amyl vinyl carbinol|Amylvinylcarbinol|BRN 1744110|dl-1-Octen-3-ol|EINECS 222-226-0|EPA Pesticide Chemical Code 069037|FEMA No. 2805|Matsuica alcohol|mushroom alcohol|n-Oct-1-en-3-ol|NSC 87563|Oct-1-en-3-ol|oct-1-ene-3-ol|oct-1-eno-3-ol|octene-1-ol-3|Pentyl vinyl carbinol|Pentylvinylcarbinol|Primaverol|UNII-WXB511GE38|Vinyl amyl carbinol|vinyl hexanol|50999-79-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3035214
ERPathway2016 ERPathway2016_800 1-Octen-3-ol 3391-86-4 DTXSID3035214 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCC(O)C=C 1-Octen-3-ol 3391-86-4|1-Octen-3-ol|(.+-.)-1-Octen-3-ol|1-Okten-3-ol|1-Vinylhexanol|3-Hydroxy-1-octene|Amyl vinyl carbinol|Amylvinylcarbinol|BRN 1744110|dl-1-Octen-3-ol|EINECS 222-226-0|EPA Pesticide Chemical Code 069037|FEMA No. 2805|Matsuica alcohol|mushroom alcohol|n-Oct-1-en-3-ol|NSC 87563|Oct-1-en-3-ol|oct-1-ene-3-ol|oct-1-eno-3-ol|octene-1-ol-3|Pentyl vinyl carbinol|Pentylvinylcarbinol|Primaverol|UNII-WXB511GE38|Vinyl amyl carbinol|vinyl hexanol|50999-79-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3035214
ARPathway2016 ARPathway2016_1081 1-Octyl-2-pyrrolidone 2687-94-7 DTXSID4036435 1.0 A8 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCN1CCCC1=O 1-Octyl-2-pyrrolidone 2687-94-7|1-Octyl-2-pyrrolidone|1-Octyl-2-pyrrolidinone|2-Pyrrolidinone, 1-octyl-|BRN 1526318|N-(N-Octyl)-2-pyrrolidinone|N-n-Octyl-2-pyrrolidone|N-Octyl-2-pyrrolidinone|N-Octylpyrrolidinone|N-Octylpyrrolidone|NOctylbutyrolactam https://comptox.epa.gov/dashboard/chemical/details/DTXSID4036435
ARPathway2016 ARPathway2016_1081 1-Octyl-2-pyrrolidone 2687-94-7 DTXSID4036435 1.0 A8 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCN1CCCC1=O 1-Octyl-2-pyrrolidone 2687-94-7|1-Octyl-2-pyrrolidone|1-Octyl-2-pyrrolidinone|2-Pyrrolidinone, 1-octyl-|BRN 1526318|N-(N-Octyl)-2-pyrrolidinone|N-n-Octyl-2-pyrrolidone|N-Octyl-2-pyrrolidinone|N-Octylpyrrolidinone|N-Octylpyrrolidone|NOctylbutyrolactam https://comptox.epa.gov/dashboard/chemical/details/DTXSID4036435
ARPathway2016 ARPathway2016_1081 1-Octyl-2-pyrrolidone 2687-94-7 DTXSID4036435 1.0 A8 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCN1CCCC1=O 1-Octyl-2-pyrrolidone 2687-94-7|1-Octyl-2-pyrrolidone|1-Octyl-2-pyrrolidinone|2-Pyrrolidinone, 1-octyl-|BRN 1526318|N-(N-Octyl)-2-pyrrolidinone|N-n-Octyl-2-pyrrolidone|N-Octyl-2-pyrrolidinone|N-Octylpyrrolidinone|N-Octylpyrrolidone|NOctylbutyrolactam https://comptox.epa.gov/dashboard/chemical/details/DTXSID4036435
ARPathway2016 ARPathway2016_1081 1-Octyl-2-pyrrolidone 2687-94-7 DTXSID4036435 1.0 A8 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCN1CCCC1=O 1-Octyl-2-pyrrolidone 2687-94-7|1-Octyl-2-pyrrolidone|1-Octyl-2-pyrrolidinone|2-Pyrrolidinone, 1-octyl-|BRN 1526318|N-(N-Octyl)-2-pyrrolidinone|N-n-Octyl-2-pyrrolidone|N-Octyl-2-pyrrolidinone|N-Octylpyrrolidinone|N-Octylpyrrolidone|NOctylbutyrolactam https://comptox.epa.gov/dashboard/chemical/details/DTXSID4036435
ERPathway2016 ERPathway2016_1418 1-Octyl-2-pyrrolidone 2687-94-7 DTXSID4036435 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCN1CCCC1=O 1-Octyl-2-pyrrolidone 2687-94-7|1-Octyl-2-pyrrolidone|1-Octyl-2-pyrrolidinone|2-Pyrrolidinone, 1-octyl-|BRN 1526318|N-(N-Octyl)-2-pyrrolidinone|N-n-Octyl-2-pyrrolidone|N-Octyl-2-pyrrolidinone|N-Octylpyrrolidinone|N-Octylpyrrolidone|NOctylbutyrolactam https://comptox.epa.gov/dashboard/chemical/details/DTXSID4036435
ERPathway2016 ERPathway2016_1418 1-Octyl-2-pyrrolidone 2687-94-7 DTXSID4036435 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCN1CCCC1=O 1-Octyl-2-pyrrolidone 2687-94-7|1-Octyl-2-pyrrolidone|1-Octyl-2-pyrrolidinone|2-Pyrrolidinone, 1-octyl-|BRN 1526318|N-(N-Octyl)-2-pyrrolidinone|N-n-Octyl-2-pyrrolidone|N-Octyl-2-pyrrolidinone|N-Octylpyrrolidinone|N-Octylpyrrolidone|NOctylbutyrolactam https://comptox.epa.gov/dashboard/chemical/details/DTXSID4036435
ERPathway2016 ERPathway2016_1418 1-Octyl-2-pyrrolidone 2687-94-7 DTXSID4036435 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCN1CCCC1=O 1-Octyl-2-pyrrolidone 2687-94-7|1-Octyl-2-pyrrolidone|1-Octyl-2-pyrrolidinone|2-Pyrrolidinone, 1-octyl-|BRN 1526318|N-(N-Octyl)-2-pyrrolidinone|N-n-Octyl-2-pyrrolidone|N-Octyl-2-pyrrolidinone|N-Octylpyrrolidinone|N-Octylpyrrolidone|NOctylbutyrolactam https://comptox.epa.gov/dashboard/chemical/details/DTXSID4036435
ERPathway2016 ERPathway2016_1418 1-Octyl-2-pyrrolidone 2687-94-7 DTXSID4036435 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCN1CCCC1=O 1-Octyl-2-pyrrolidone 2687-94-7|1-Octyl-2-pyrrolidone|1-Octyl-2-pyrrolidinone|2-Pyrrolidinone, 1-octyl-|BRN 1526318|N-(N-Octyl)-2-pyrrolidinone|N-n-Octyl-2-pyrrolidone|N-Octyl-2-pyrrolidinone|N-Octylpyrrolidinone|N-Octylpyrrolidone|NOctylbutyrolactam https://comptox.epa.gov/dashboard/chemical/details/DTXSID4036435
ARPathway2016 ARPathway2016_1425 1-Pentadecanol 629-76-5 DTXSID0027270 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCCCO 1-Pentadecanol 629-76-5|1-Pentadecanol|1-Pentadecanol (ACD/Name 4.0)|EINECS 211-107-9|n-1-Pentadecanol|n-Pentadecanol|N-Ppentadecanol|Neodol 5|NSC 66446|Pentadecan-1-ol|Pentadecanol|Pentadecanol-(1)|Pentadecyl alcohol|UNII-333QVA4G2Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027270
ARPathway2016 ARPathway2016_1425 1-Pentadecanol 629-76-5 DTXSID0027270 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCCCO 1-Pentadecanol 629-76-5|1-Pentadecanol|1-Pentadecanol (ACD/Name 4.0)|EINECS 211-107-9|n-1-Pentadecanol|n-Pentadecanol|N-Ppentadecanol|Neodol 5|NSC 66446|Pentadecan-1-ol|Pentadecanol|Pentadecanol-(1)|Pentadecyl alcohol|UNII-333QVA4G2Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027270
ARPathway2016 ARPathway2016_1425 1-Pentadecanol 629-76-5 DTXSID0027270 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCCCO 1-Pentadecanol 629-76-5|1-Pentadecanol|1-Pentadecanol (ACD/Name 4.0)|EINECS 211-107-9|n-1-Pentadecanol|n-Pentadecanol|N-Ppentadecanol|Neodol 5|NSC 66446|Pentadecan-1-ol|Pentadecanol|Pentadecanol-(1)|Pentadecyl alcohol|UNII-333QVA4G2Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027270
ARPathway2016 ARPathway2016_1425 1-Pentadecanol 629-76-5 DTXSID0027270 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCCCO 1-Pentadecanol 629-76-5|1-Pentadecanol|1-Pentadecanol (ACD/Name 4.0)|EINECS 211-107-9|n-1-Pentadecanol|n-Pentadecanol|N-Ppentadecanol|Neodol 5|NSC 66446|Pentadecan-1-ol|Pentadecanol|Pentadecanol-(1)|Pentadecyl alcohol|UNII-333QVA4G2Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027270
ERPathway2016 ERPathway2016_1586 1-Pentadecanol 629-76-5 DTXSID0027270 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCCCO 1-Pentadecanol 629-76-5|1-Pentadecanol|1-Pentadecanol (ACD/Name 4.0)|EINECS 211-107-9|n-1-Pentadecanol|n-Pentadecanol|N-Ppentadecanol|Neodol 5|NSC 66446|Pentadecan-1-ol|Pentadecanol|Pentadecanol-(1)|Pentadecyl alcohol|UNII-333QVA4G2Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027270
ERPathway2016 ERPathway2016_1586 1-Pentadecanol 629-76-5 DTXSID0027270 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCCCO 1-Pentadecanol 629-76-5|1-Pentadecanol|1-Pentadecanol (ACD/Name 4.0)|EINECS 211-107-9|n-1-Pentadecanol|n-Pentadecanol|N-Ppentadecanol|Neodol 5|NSC 66446|Pentadecan-1-ol|Pentadecanol|Pentadecanol-(1)|Pentadecyl alcohol|UNII-333QVA4G2Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027270
ERPathway2016 ERPathway2016_1586 1-Pentadecanol 629-76-5 DTXSID0027270 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCCCO 1-Pentadecanol 629-76-5|1-Pentadecanol|1-Pentadecanol (ACD/Name 4.0)|EINECS 211-107-9|n-1-Pentadecanol|n-Pentadecanol|N-Ppentadecanol|Neodol 5|NSC 66446|Pentadecan-1-ol|Pentadecanol|Pentadecanol-(1)|Pentadecyl alcohol|UNII-333QVA4G2Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027270
ERPathway2016 ERPathway2016_1586 1-Pentadecanol 629-76-5 DTXSID0027270 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCCCO 1-Pentadecanol 629-76-5|1-Pentadecanol|1-Pentadecanol (ACD/Name 4.0)|EINECS 211-107-9|n-1-Pentadecanol|n-Pentadecanol|N-Ppentadecanol|Neodol 5|NSC 66446|Pentadecan-1-ol|Pentadecanol|Pentadecanol-(1)|Pentadecyl alcohol|UNII-333QVA4G2Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027270
ARPathway2016 ARPathway2016_1547 1-Phenoxy-2-propanol 770-35-4 DTXSID9027312 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(O)COC1=CC=CC=C1 1-Phenoxy-2-propanol 770-35-4|1-Phenoxy-2-propanol|(.+-.)-1-Phenoxy-2-propanol|(+/-)-1-Phenoxy-2-propanol|1-fenoxipropan-2-ol|1-Phenoxypropan-2-ol|1-phenoxypropane-2-ol|2-Phenoxy-1-methylethanol|2-Propanol, 1-phenoxy-|beta-Phenoxyisopropanol|EINECS 212-222-7|NSC 24015|Phenoxyisopropanol|PROPAN-2-OL, 1-PHENOXY-|Propylene phenoxetol|rac-1-Phenoxy-2-propanol|UNII-87CZY0NY1A|b-Phenoxyisopropanol|130890-76-5|207275-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027312
ARPathway2016 ARPathway2016_1547 1-Phenoxy-2-propanol 770-35-4 DTXSID9027312 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(O)COC1=CC=CC=C1 1-Phenoxy-2-propanol 770-35-4|1-Phenoxy-2-propanol|(.+-.)-1-Phenoxy-2-propanol|(+/-)-1-Phenoxy-2-propanol|1-fenoxipropan-2-ol|1-Phenoxypropan-2-ol|1-phenoxypropane-2-ol|2-Phenoxy-1-methylethanol|2-Propanol, 1-phenoxy-|beta-Phenoxyisopropanol|EINECS 212-222-7|NSC 24015|Phenoxyisopropanol|PROPAN-2-OL, 1-PHENOXY-|Propylene phenoxetol|rac-1-Phenoxy-2-propanol|UNII-87CZY0NY1A|b-Phenoxyisopropanol|130890-76-5|207275-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027312
ARPathway2016 ARPathway2016_1547 1-Phenoxy-2-propanol 770-35-4 DTXSID9027312 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(O)COC1=CC=CC=C1 1-Phenoxy-2-propanol 770-35-4|1-Phenoxy-2-propanol|(.+-.)-1-Phenoxy-2-propanol|(+/-)-1-Phenoxy-2-propanol|1-fenoxipropan-2-ol|1-Phenoxypropan-2-ol|1-phenoxypropane-2-ol|2-Phenoxy-1-methylethanol|2-Propanol, 1-phenoxy-|beta-Phenoxyisopropanol|EINECS 212-222-7|NSC 24015|Phenoxyisopropanol|PROPAN-2-OL, 1-PHENOXY-|Propylene phenoxetol|rac-1-Phenoxy-2-propanol|UNII-87CZY0NY1A|b-Phenoxyisopropanol|130890-76-5|207275-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027312
ARPathway2016 ARPathway2016_1547 1-Phenoxy-2-propanol 770-35-4 DTXSID9027312 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(O)COC1=CC=CC=C1 1-Phenoxy-2-propanol 770-35-4|1-Phenoxy-2-propanol|(.+-.)-1-Phenoxy-2-propanol|(+/-)-1-Phenoxy-2-propanol|1-fenoxipropan-2-ol|1-Phenoxypropan-2-ol|1-phenoxypropane-2-ol|2-Phenoxy-1-methylethanol|2-Propanol, 1-phenoxy-|beta-Phenoxyisopropanol|EINECS 212-222-7|NSC 24015|Phenoxyisopropanol|PROPAN-2-OL, 1-PHENOXY-|Propylene phenoxetol|rac-1-Phenoxy-2-propanol|UNII-87CZY0NY1A|b-Phenoxyisopropanol|130890-76-5|207275-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027312
ERPathway2016 ERPathway2016_1650 1-Phenoxy-2-propanol 770-35-4 DTXSID9027312 ER Pathway Model, Agonist Model Score 0 Unitless CC(O)COC1=CC=CC=C1 1-Phenoxy-2-propanol 770-35-4|1-Phenoxy-2-propanol|(.+-.)-1-Phenoxy-2-propanol|(+/-)-1-Phenoxy-2-propanol|1-fenoxipropan-2-ol|1-Phenoxypropan-2-ol|1-phenoxypropane-2-ol|2-Phenoxy-1-methylethanol|2-Propanol, 1-phenoxy-|beta-Phenoxyisopropanol|EINECS 212-222-7|NSC 24015|Phenoxyisopropanol|PROPAN-2-OL, 1-PHENOXY-|Propylene phenoxetol|rac-1-Phenoxy-2-propanol|UNII-87CZY0NY1A|b-Phenoxyisopropanol|130890-76-5|207275-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027312
ERPathway2016 ERPathway2016_1650 1-Phenoxy-2-propanol 770-35-4 DTXSID9027312 ER Pathway Model, Antagonist Model Score 0 Unitless CC(O)COC1=CC=CC=C1 1-Phenoxy-2-propanol 770-35-4|1-Phenoxy-2-propanol|(.+-.)-1-Phenoxy-2-propanol|(+/-)-1-Phenoxy-2-propanol|1-fenoxipropan-2-ol|1-Phenoxypropan-2-ol|1-phenoxypropane-2-ol|2-Phenoxy-1-methylethanol|2-Propanol, 1-phenoxy-|beta-Phenoxyisopropanol|EINECS 212-222-7|NSC 24015|Phenoxyisopropanol|PROPAN-2-OL, 1-PHENOXY-|Propylene phenoxetol|rac-1-Phenoxy-2-propanol|UNII-87CZY0NY1A|b-Phenoxyisopropanol|130890-76-5|207275-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027312
ERPathway2016 ERPathway2016_1650 1-Phenoxy-2-propanol 770-35-4 DTXSID9027312 ER Pathway Model, Agonist Call Inactive Unitless CC(O)COC1=CC=CC=C1 1-Phenoxy-2-propanol 770-35-4|1-Phenoxy-2-propanol|(.+-.)-1-Phenoxy-2-propanol|(+/-)-1-Phenoxy-2-propanol|1-fenoxipropan-2-ol|1-Phenoxypropan-2-ol|1-phenoxypropane-2-ol|2-Phenoxy-1-methylethanol|2-Propanol, 1-phenoxy-|beta-Phenoxyisopropanol|EINECS 212-222-7|NSC 24015|Phenoxyisopropanol|PROPAN-2-OL, 1-PHENOXY-|Propylene phenoxetol|rac-1-Phenoxy-2-propanol|UNII-87CZY0NY1A|b-Phenoxyisopropanol|130890-76-5|207275-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027312
ERPathway2016 ERPathway2016_1650 1-Phenoxy-2-propanol 770-35-4 DTXSID9027312 ER Pathway Model, Antagonist Call Inactive Unitless CC(O)COC1=CC=CC=C1 1-Phenoxy-2-propanol 770-35-4|1-Phenoxy-2-propanol|(.+-.)-1-Phenoxy-2-propanol|(+/-)-1-Phenoxy-2-propanol|1-fenoxipropan-2-ol|1-Phenoxypropan-2-ol|1-phenoxypropane-2-ol|2-Phenoxy-1-methylethanol|2-Propanol, 1-phenoxy-|beta-Phenoxyisopropanol|EINECS 212-222-7|NSC 24015|Phenoxyisopropanol|PROPAN-2-OL, 1-PHENOXY-|Propylene phenoxetol|rac-1-Phenoxy-2-propanol|UNII-87CZY0NY1A|b-Phenoxyisopropanol|130890-76-5|207275-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027312
ARPathway2016 ARPathway2016_313 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5 DTXSID0041274 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 25.4294904142605 uM O=C1C=CC(=O)N1C1=CC=CC=C1 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5|1-Phenyl-1H-pyrrole-2,5-dione|1-Phenyl-pyrrole-2,5-dione|1H-Pyrrole-2,5-dione, 1-phenyl-|1H-Pyrrole-2,5-dione, 1-phenyl- (N-Phenylmaleimide)|5-21-10-00009|BRN 0125098|EINECS 213-382-0|Imilex P|Maleanil|MALEIMIDE, N-PHENYL-|Maleimidobenzene|Maleinanil|N-fenilmaleimida|N-Fenylimid kyseliny maleinove|N-Phenylmaleic acid imide|N-Phenylmaleic imide|N-Phenylmaleimid|N-Phenylmaleimide|N-Phenylmaleinimide|N-Phenylpyrrole-2,5-dione|NSC 8183|Phenylmaleimide|UNII-9U9KT462VW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041274
ARPathway2016 ARPathway2016_313 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5 DTXSID0041274 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 22.5844696558255 uM O=C1C=CC(=O)N1C1=CC=CC=C1 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5|1-Phenyl-1H-pyrrole-2,5-dione|1-Phenyl-pyrrole-2,5-dione|1H-Pyrrole-2,5-dione, 1-phenyl-|1H-Pyrrole-2,5-dione, 1-phenyl- (N-Phenylmaleimide)|5-21-10-00009|BRN 0125098|EINECS 213-382-0|Imilex P|Maleanil|MALEIMIDE, N-PHENYL-|Maleimidobenzene|Maleinanil|N-fenilmaleimida|N-Fenylimid kyseliny maleinove|N-Phenylmaleic acid imide|N-Phenylmaleic imide|N-Phenylmaleimid|N-Phenylmaleimide|N-Phenylmaleinimide|N-Phenylpyrrole-2,5-dione|NSC 8183|Phenylmaleimide|UNII-9U9KT462VW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041274
ARPathway2016 ARPathway2016_313 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5 DTXSID0041274 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.201 Unitless O=C1C=CC(=O)N1C1=CC=CC=C1 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5|1-Phenyl-1H-pyrrole-2,5-dione|1-Phenyl-pyrrole-2,5-dione|1H-Pyrrole-2,5-dione, 1-phenyl-|1H-Pyrrole-2,5-dione, 1-phenyl- (N-Phenylmaleimide)|5-21-10-00009|BRN 0125098|EINECS 213-382-0|Imilex P|Maleanil|MALEIMIDE, N-PHENYL-|Maleimidobenzene|Maleinanil|N-fenilmaleimida|N-Fenylimid kyseliny maleinove|N-Phenylmaleic acid imide|N-Phenylmaleic imide|N-Phenylmaleimid|N-Phenylmaleimide|N-Phenylmaleinimide|N-Phenylpyrrole-2,5-dione|NSC 8183|Phenylmaleimide|UNII-9U9KT462VW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041274
ARPathway2016 ARPathway2016_313 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5 DTXSID0041274 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless O=C1C=CC(=O)N1C1=CC=CC=C1 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5|1-Phenyl-1H-pyrrole-2,5-dione|1-Phenyl-pyrrole-2,5-dione|1H-Pyrrole-2,5-dione, 1-phenyl-|1H-Pyrrole-2,5-dione, 1-phenyl- (N-Phenylmaleimide)|5-21-10-00009|BRN 0125098|EINECS 213-382-0|Imilex P|Maleanil|MALEIMIDE, N-PHENYL-|Maleimidobenzene|Maleinanil|N-fenilmaleimida|N-Fenylimid kyseliny maleinove|N-Phenylmaleic acid imide|N-Phenylmaleic imide|N-Phenylmaleimid|N-Phenylmaleimide|N-Phenylmaleinimide|N-Phenylpyrrole-2,5-dione|NSC 8183|Phenylmaleimide|UNII-9U9KT462VW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041274
ARPathway2016 ARPathway2016_313 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5 DTXSID0041274 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless O=C1C=CC(=O)N1C1=CC=CC=C1 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5|1-Phenyl-1H-pyrrole-2,5-dione|1-Phenyl-pyrrole-2,5-dione|1H-Pyrrole-2,5-dione, 1-phenyl-|1H-Pyrrole-2,5-dione, 1-phenyl- (N-Phenylmaleimide)|5-21-10-00009|BRN 0125098|EINECS 213-382-0|Imilex P|Maleanil|MALEIMIDE, N-PHENYL-|Maleimidobenzene|Maleinanil|N-fenilmaleimida|N-Fenylimid kyseliny maleinove|N-Phenylmaleic acid imide|N-Phenylmaleic imide|N-Phenylmaleimid|N-Phenylmaleimide|N-Phenylmaleinimide|N-Phenylpyrrole-2,5-dione|NSC 8183|Phenylmaleimide|UNII-9U9KT462VW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041274
ARPathway2016 ARPathway2016_313 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5 DTXSID0041274 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless O=C1C=CC(=O)N1C1=CC=CC=C1 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5|1-Phenyl-1H-pyrrole-2,5-dione|1-Phenyl-pyrrole-2,5-dione|1H-Pyrrole-2,5-dione, 1-phenyl-|1H-Pyrrole-2,5-dione, 1-phenyl- (N-Phenylmaleimide)|5-21-10-00009|BRN 0125098|EINECS 213-382-0|Imilex P|Maleanil|MALEIMIDE, N-PHENYL-|Maleimidobenzene|Maleinanil|N-fenilmaleimida|N-Fenylimid kyseliny maleinove|N-Phenylmaleic acid imide|N-Phenylmaleic imide|N-Phenylmaleimid|N-Phenylmaleimide|N-Phenylmaleinimide|N-Phenylpyrrole-2,5-dione|NSC 8183|Phenylmaleimide|UNII-9U9KT462VW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041274
ERPathway2016 ERPathway2016_96 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5 DTXSID0041274 ER Pathway Model, Agonist AC50 35.2090088837791 uM O=C1C=CC(=O)N1C1=CC=CC=C1 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5|1-Phenyl-1H-pyrrole-2,5-dione|1-Phenyl-pyrrole-2,5-dione|1H-Pyrrole-2,5-dione, 1-phenyl-|1H-Pyrrole-2,5-dione, 1-phenyl- (N-Phenylmaleimide)|5-21-10-00009|BRN 0125098|EINECS 213-382-0|Imilex P|Maleanil|MALEIMIDE, N-PHENYL-|Maleimidobenzene|Maleinanil|N-fenilmaleimida|N-Fenylimid kyseliny maleinove|N-Phenylmaleic acid imide|N-Phenylmaleic imide|N-Phenylmaleimid|N-Phenylmaleimide|N-Phenylmaleinimide|N-Phenylpyrrole-2,5-dione|NSC 8183|Phenylmaleimide|UNII-9U9KT462VW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041274
ERPathway2016 ERPathway2016_96 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5 DTXSID0041274 ER Pathway Model, Agonist ACC 29.0944774975374 uM O=C1C=CC(=O)N1C1=CC=CC=C1 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5|1-Phenyl-1H-pyrrole-2,5-dione|1-Phenyl-pyrrole-2,5-dione|1H-Pyrrole-2,5-dione, 1-phenyl-|1H-Pyrrole-2,5-dione, 1-phenyl- (N-Phenylmaleimide)|5-21-10-00009|BRN 0125098|EINECS 213-382-0|Imilex P|Maleanil|MALEIMIDE, N-PHENYL-|Maleimidobenzene|Maleinanil|N-fenilmaleimida|N-Fenylimid kyseliny maleinove|N-Phenylmaleic acid imide|N-Phenylmaleic imide|N-Phenylmaleimid|N-Phenylmaleimide|N-Phenylmaleinimide|N-Phenylpyrrole-2,5-dione|NSC 8183|Phenylmaleimide|UNII-9U9KT462VW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041274
ERPathway2016 ERPathway2016_96 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5 DTXSID0041274 ER Pathway Model, Agonist Model Score 0 Unitless O=C1C=CC(=O)N1C1=CC=CC=C1 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5|1-Phenyl-1H-pyrrole-2,5-dione|1-Phenyl-pyrrole-2,5-dione|1H-Pyrrole-2,5-dione, 1-phenyl-|1H-Pyrrole-2,5-dione, 1-phenyl- (N-Phenylmaleimide)|5-21-10-00009|BRN 0125098|EINECS 213-382-0|Imilex P|Maleanil|MALEIMIDE, N-PHENYL-|Maleimidobenzene|Maleinanil|N-fenilmaleimida|N-Fenylimid kyseliny maleinove|N-Phenylmaleic acid imide|N-Phenylmaleic imide|N-Phenylmaleimid|N-Phenylmaleimide|N-Phenylmaleinimide|N-Phenylpyrrole-2,5-dione|NSC 8183|Phenylmaleimide|UNII-9U9KT462VW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041274
ERPathway2016 ERPathway2016_96 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5 DTXSID0041274 ER Pathway Model, Antagonist Model Score 0.0288 Unitless O=C1C=CC(=O)N1C1=CC=CC=C1 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5|1-Phenyl-1H-pyrrole-2,5-dione|1-Phenyl-pyrrole-2,5-dione|1H-Pyrrole-2,5-dione, 1-phenyl-|1H-Pyrrole-2,5-dione, 1-phenyl- (N-Phenylmaleimide)|5-21-10-00009|BRN 0125098|EINECS 213-382-0|Imilex P|Maleanil|MALEIMIDE, N-PHENYL-|Maleimidobenzene|Maleinanil|N-fenilmaleimida|N-Fenylimid kyseliny maleinove|N-Phenylmaleic acid imide|N-Phenylmaleic imide|N-Phenylmaleimid|N-Phenylmaleimide|N-Phenylmaleinimide|N-Phenylpyrrole-2,5-dione|NSC 8183|Phenylmaleimide|UNII-9U9KT462VW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041274
ERPathway2016 ERPathway2016_96 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5 DTXSID0041274 ER Pathway Model, Agonist Call Active Unitless O=C1C=CC(=O)N1C1=CC=CC=C1 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5|1-Phenyl-1H-pyrrole-2,5-dione|1-Phenyl-pyrrole-2,5-dione|1H-Pyrrole-2,5-dione, 1-phenyl-|1H-Pyrrole-2,5-dione, 1-phenyl- (N-Phenylmaleimide)|5-21-10-00009|BRN 0125098|EINECS 213-382-0|Imilex P|Maleanil|MALEIMIDE, N-PHENYL-|Maleimidobenzene|Maleinanil|N-fenilmaleimida|N-Fenylimid kyseliny maleinove|N-Phenylmaleic acid imide|N-Phenylmaleic imide|N-Phenylmaleimid|N-Phenylmaleimide|N-Phenylmaleinimide|N-Phenylpyrrole-2,5-dione|NSC 8183|Phenylmaleimide|UNII-9U9KT462VW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041274
ERPathway2016 ERPathway2016_96 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5 DTXSID0041274 ER Pathway Model, Antagonist Call Inactive Unitless O=C1C=CC(=O)N1C1=CC=CC=C1 1-Phenyl-1H-pyrrole-2,5-dione 941-69-5|1-Phenyl-1H-pyrrole-2,5-dione|1-Phenyl-pyrrole-2,5-dione|1H-Pyrrole-2,5-dione, 1-phenyl-|1H-Pyrrole-2,5-dione, 1-phenyl- (N-Phenylmaleimide)|5-21-10-00009|BRN 0125098|EINECS 213-382-0|Imilex P|Maleanil|MALEIMIDE, N-PHENYL-|Maleimidobenzene|Maleinanil|N-fenilmaleimida|N-Fenylimid kyseliny maleinove|N-Phenylmaleic acid imide|N-Phenylmaleic imide|N-Phenylmaleimid|N-Phenylmaleimide|N-Phenylmaleinimide|N-Phenylpyrrole-2,5-dione|NSC 8183|Phenylmaleimide|UNII-9U9KT462VW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041274
ARPathway2016 ARPathway2016_257 1-Phenyl-2-nitropropene 705-60-2 DTXSID1041188 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 16.02135154 uM CC(=CC1=CC=CC=C1)[N+]([O-])=O 1-Phenyl-2-nitropropene 705-60-2|1-Phenyl-2-nitropropene|(2-Nitro-1-propen-1-yl)benzene|(2-Nitro-1-propenyl)benzene|(2-Nitropropenyl)benzene|1-(2-Nitroprop-1-enyl)benzene|1-(2-Nitropropenyl)benzene|1-Phenyl-2-nitro-1-propene|1-Phenyl-2-nitro-2-methylethene|1-Phenyl-2-nitro-propylen-(1,2)|2-Nitro-1-phenyl-1-propene|2-Nitro-1-phenylpropene|2-Nitro-3-phenyl-2-propene|3-05-00-01189|Benzene, (2-nitro-1-propen-1-yl)-|Benzene, (2-nitro-1-propenyl)-|Benzene, (2-nitropropenyl)-|Benzene, 2-nitropropenyl-|beta-Methyl-beta-nitrostyrene|BRN 1863853|Caswell No. 604|EPA Pesticide Chemical Code 056302|NSC 2014|Phenyl-2-nitropropene|trans-b-Methyl nitrostyrene|b-Methyl-b-nitrostyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041188
ARPathway2016 ARPathway2016_257 1-Phenyl-2-nitropropene 705-60-2 DTXSID1041188 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 14.9469601836643 uM CC(=CC1=CC=CC=C1)[N+]([O-])=O 1-Phenyl-2-nitropropene 705-60-2|1-Phenyl-2-nitropropene|(2-Nitro-1-propen-1-yl)benzene|(2-Nitro-1-propenyl)benzene|(2-Nitropropenyl)benzene|1-(2-Nitroprop-1-enyl)benzene|1-(2-Nitropropenyl)benzene|1-Phenyl-2-nitro-1-propene|1-Phenyl-2-nitro-2-methylethene|1-Phenyl-2-nitro-propylen-(1,2)|2-Nitro-1-phenyl-1-propene|2-Nitro-1-phenylpropene|2-Nitro-3-phenyl-2-propene|3-05-00-01189|Benzene, (2-nitro-1-propen-1-yl)-|Benzene, (2-nitro-1-propenyl)-|Benzene, (2-nitropropenyl)-|Benzene, 2-nitropropenyl-|beta-Methyl-beta-nitrostyrene|BRN 1863853|Caswell No. 604|EPA Pesticide Chemical Code 056302|NSC 2014|Phenyl-2-nitropropene|trans-b-Methyl nitrostyrene|b-Methyl-b-nitrostyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041188
ARPathway2016 ARPathway2016_257 1-Phenyl-2-nitropropene 705-60-2 DTXSID1041188 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.148 Unitless CC(=CC1=CC=CC=C1)[N+]([O-])=O 1-Phenyl-2-nitropropene 705-60-2|1-Phenyl-2-nitropropene|(2-Nitro-1-propen-1-yl)benzene|(2-Nitro-1-propenyl)benzene|(2-Nitropropenyl)benzene|1-(2-Nitroprop-1-enyl)benzene|1-(2-Nitropropenyl)benzene|1-Phenyl-2-nitro-1-propene|1-Phenyl-2-nitro-2-methylethene|1-Phenyl-2-nitro-propylen-(1,2)|2-Nitro-1-phenyl-1-propene|2-Nitro-1-phenylpropene|2-Nitro-3-phenyl-2-propene|3-05-00-01189|Benzene, (2-nitro-1-propen-1-yl)-|Benzene, (2-nitro-1-propenyl)-|Benzene, (2-nitropropenyl)-|Benzene, 2-nitropropenyl-|beta-Methyl-beta-nitrostyrene|BRN 1863853|Caswell No. 604|EPA Pesticide Chemical Code 056302|NSC 2014|Phenyl-2-nitropropene|trans-b-Methyl nitrostyrene|b-Methyl-b-nitrostyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041188
ARPathway2016 ARPathway2016_257 1-Phenyl-2-nitropropene 705-60-2 DTXSID1041188 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(=CC1=CC=CC=C1)[N+]([O-])=O 1-Phenyl-2-nitropropene 705-60-2|1-Phenyl-2-nitropropene|(2-Nitro-1-propen-1-yl)benzene|(2-Nitro-1-propenyl)benzene|(2-Nitropropenyl)benzene|1-(2-Nitroprop-1-enyl)benzene|1-(2-Nitropropenyl)benzene|1-Phenyl-2-nitro-1-propene|1-Phenyl-2-nitro-2-methylethene|1-Phenyl-2-nitro-propylen-(1,2)|2-Nitro-1-phenyl-1-propene|2-Nitro-1-phenylpropene|2-Nitro-3-phenyl-2-propene|3-05-00-01189|Benzene, (2-nitro-1-propen-1-yl)-|Benzene, (2-nitro-1-propenyl)-|Benzene, (2-nitropropenyl)-|Benzene, 2-nitropropenyl-|beta-Methyl-beta-nitrostyrene|BRN 1863853|Caswell No. 604|EPA Pesticide Chemical Code 056302|NSC 2014|Phenyl-2-nitropropene|trans-b-Methyl nitrostyrene|b-Methyl-b-nitrostyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041188
ARPathway2016 ARPathway2016_257 1-Phenyl-2-nitropropene 705-60-2 DTXSID1041188 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(=CC1=CC=CC=C1)[N+]([O-])=O 1-Phenyl-2-nitropropene 705-60-2|1-Phenyl-2-nitropropene|(2-Nitro-1-propen-1-yl)benzene|(2-Nitro-1-propenyl)benzene|(2-Nitropropenyl)benzene|1-(2-Nitroprop-1-enyl)benzene|1-(2-Nitropropenyl)benzene|1-Phenyl-2-nitro-1-propene|1-Phenyl-2-nitro-2-methylethene|1-Phenyl-2-nitro-propylen-(1,2)|2-Nitro-1-phenyl-1-propene|2-Nitro-1-phenylpropene|2-Nitro-3-phenyl-2-propene|3-05-00-01189|Benzene, (2-nitro-1-propen-1-yl)-|Benzene, (2-nitro-1-propenyl)-|Benzene, (2-nitropropenyl)-|Benzene, 2-nitropropenyl-|beta-Methyl-beta-nitrostyrene|BRN 1863853|Caswell No. 604|EPA Pesticide Chemical Code 056302|NSC 2014|Phenyl-2-nitropropene|trans-b-Methyl nitrostyrene|b-Methyl-b-nitrostyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041188
ARPathway2016 ARPathway2016_257 1-Phenyl-2-nitropropene 705-60-2 DTXSID1041188 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(=CC1=CC=CC=C1)[N+]([O-])=O 1-Phenyl-2-nitropropene 705-60-2|1-Phenyl-2-nitropropene|(2-Nitro-1-propen-1-yl)benzene|(2-Nitro-1-propenyl)benzene|(2-Nitropropenyl)benzene|1-(2-Nitroprop-1-enyl)benzene|1-(2-Nitropropenyl)benzene|1-Phenyl-2-nitro-1-propene|1-Phenyl-2-nitro-2-methylethene|1-Phenyl-2-nitro-propylen-(1,2)|2-Nitro-1-phenyl-1-propene|2-Nitro-1-phenylpropene|2-Nitro-3-phenyl-2-propene|3-05-00-01189|Benzene, (2-nitro-1-propen-1-yl)-|Benzene, (2-nitro-1-propenyl)-|Benzene, (2-nitropropenyl)-|Benzene, 2-nitropropenyl-|beta-Methyl-beta-nitrostyrene|BRN 1863853|Caswell No. 604|EPA Pesticide Chemical Code 056302|NSC 2014|Phenyl-2-nitropropene|trans-b-Methyl nitrostyrene|b-Methyl-b-nitrostyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041188
ERPathway2016 ERPathway2016_74 1-Phenyl-2-nitropropene 705-60-2 DTXSID1041188 ER Pathway Model, Agonist AC50 18.8196768907746 uM CC(=CC1=CC=CC=C1)[N+]([O-])=O 1-Phenyl-2-nitropropene 705-60-2|1-Phenyl-2-nitropropene|(2-Nitro-1-propen-1-yl)benzene|(2-Nitro-1-propenyl)benzene|(2-Nitropropenyl)benzene|1-(2-Nitroprop-1-enyl)benzene|1-(2-Nitropropenyl)benzene|1-Phenyl-2-nitro-1-propene|1-Phenyl-2-nitro-2-methylethene|1-Phenyl-2-nitro-propylen-(1,2)|2-Nitro-1-phenyl-1-propene|2-Nitro-1-phenylpropene|2-Nitro-3-phenyl-2-propene|3-05-00-01189|Benzene, (2-nitro-1-propen-1-yl)-|Benzene, (2-nitro-1-propenyl)-|Benzene, (2-nitropropenyl)-|Benzene, 2-nitropropenyl-|beta-Methyl-beta-nitrostyrene|BRN 1863853|Caswell No. 604|EPA Pesticide Chemical Code 056302|NSC 2014|Phenyl-2-nitropropene|trans-b-Methyl nitrostyrene|b-Methyl-b-nitrostyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041188
ERPathway2016 ERPathway2016_74 1-Phenyl-2-nitropropene 705-60-2 DTXSID1041188 ER Pathway Model, Agonist ACC 16.1022013206751 uM CC(=CC1=CC=CC=C1)[N+]([O-])=O 1-Phenyl-2-nitropropene 705-60-2|1-Phenyl-2-nitropropene|(2-Nitro-1-propen-1-yl)benzene|(2-Nitro-1-propenyl)benzene|(2-Nitropropenyl)benzene|1-(2-Nitroprop-1-enyl)benzene|1-(2-Nitropropenyl)benzene|1-Phenyl-2-nitro-1-propene|1-Phenyl-2-nitro-2-methylethene|1-Phenyl-2-nitro-propylen-(1,2)|2-Nitro-1-phenyl-1-propene|2-Nitro-1-phenylpropene|2-Nitro-3-phenyl-2-propene|3-05-00-01189|Benzene, (2-nitro-1-propen-1-yl)-|Benzene, (2-nitro-1-propenyl)-|Benzene, (2-nitropropenyl)-|Benzene, 2-nitropropenyl-|beta-Methyl-beta-nitrostyrene|BRN 1863853|Caswell No. 604|EPA Pesticide Chemical Code 056302|NSC 2014|Phenyl-2-nitropropene|trans-b-Methyl nitrostyrene|b-Methyl-b-nitrostyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041188
ERPathway2016 ERPathway2016_74 1-Phenyl-2-nitropropene 705-60-2 DTXSID1041188 ER Pathway Model, Agonist Model Score 0 Unitless CC(=CC1=CC=CC=C1)[N+]([O-])=O 1-Phenyl-2-nitropropene 705-60-2|1-Phenyl-2-nitropropene|(2-Nitro-1-propen-1-yl)benzene|(2-Nitro-1-propenyl)benzene|(2-Nitropropenyl)benzene|1-(2-Nitroprop-1-enyl)benzene|1-(2-Nitropropenyl)benzene|1-Phenyl-2-nitro-1-propene|1-Phenyl-2-nitro-2-methylethene|1-Phenyl-2-nitro-propylen-(1,2)|2-Nitro-1-phenyl-1-propene|2-Nitro-1-phenylpropene|2-Nitro-3-phenyl-2-propene|3-05-00-01189|Benzene, (2-nitro-1-propen-1-yl)-|Benzene, (2-nitro-1-propenyl)-|Benzene, (2-nitropropenyl)-|Benzene, 2-nitropropenyl-|beta-Methyl-beta-nitrostyrene|BRN 1863853|Caswell No. 604|EPA Pesticide Chemical Code 056302|NSC 2014|Phenyl-2-nitropropene|trans-b-Methyl nitrostyrene|b-Methyl-b-nitrostyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041188
ERPathway2016 ERPathway2016_74 1-Phenyl-2-nitropropene 705-60-2 DTXSID1041188 ER Pathway Model, Antagonist Model Score 0.0254 Unitless CC(=CC1=CC=CC=C1)[N+]([O-])=O 1-Phenyl-2-nitropropene 705-60-2|1-Phenyl-2-nitropropene|(2-Nitro-1-propen-1-yl)benzene|(2-Nitro-1-propenyl)benzene|(2-Nitropropenyl)benzene|1-(2-Nitroprop-1-enyl)benzene|1-(2-Nitropropenyl)benzene|1-Phenyl-2-nitro-1-propene|1-Phenyl-2-nitro-2-methylethene|1-Phenyl-2-nitro-propylen-(1,2)|2-Nitro-1-phenyl-1-propene|2-Nitro-1-phenylpropene|2-Nitro-3-phenyl-2-propene|3-05-00-01189|Benzene, (2-nitro-1-propen-1-yl)-|Benzene, (2-nitro-1-propenyl)-|Benzene, (2-nitropropenyl)-|Benzene, 2-nitropropenyl-|beta-Methyl-beta-nitrostyrene|BRN 1863853|Caswell No. 604|EPA Pesticide Chemical Code 056302|NSC 2014|Phenyl-2-nitropropene|trans-b-Methyl nitrostyrene|b-Methyl-b-nitrostyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041188
ERPathway2016 ERPathway2016_74 1-Phenyl-2-nitropropene 705-60-2 DTXSID1041188 ER Pathway Model, Agonist Call Active Unitless CC(=CC1=CC=CC=C1)[N+]([O-])=O 1-Phenyl-2-nitropropene 705-60-2|1-Phenyl-2-nitropropene|(2-Nitro-1-propen-1-yl)benzene|(2-Nitro-1-propenyl)benzene|(2-Nitropropenyl)benzene|1-(2-Nitroprop-1-enyl)benzene|1-(2-Nitropropenyl)benzene|1-Phenyl-2-nitro-1-propene|1-Phenyl-2-nitro-2-methylethene|1-Phenyl-2-nitro-propylen-(1,2)|2-Nitro-1-phenyl-1-propene|2-Nitro-1-phenylpropene|2-Nitro-3-phenyl-2-propene|3-05-00-01189|Benzene, (2-nitro-1-propen-1-yl)-|Benzene, (2-nitro-1-propenyl)-|Benzene, (2-nitropropenyl)-|Benzene, 2-nitropropenyl-|beta-Methyl-beta-nitrostyrene|BRN 1863853|Caswell No. 604|EPA Pesticide Chemical Code 056302|NSC 2014|Phenyl-2-nitropropene|trans-b-Methyl nitrostyrene|b-Methyl-b-nitrostyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041188
ERPathway2016 ERPathway2016_74 1-Phenyl-2-nitropropene 705-60-2 DTXSID1041188 ER Pathway Model, Antagonist Call Inactive Unitless CC(=CC1=CC=CC=C1)[N+]([O-])=O 1-Phenyl-2-nitropropene 705-60-2|1-Phenyl-2-nitropropene|(2-Nitro-1-propen-1-yl)benzene|(2-Nitro-1-propenyl)benzene|(2-Nitropropenyl)benzene|1-(2-Nitroprop-1-enyl)benzene|1-(2-Nitropropenyl)benzene|1-Phenyl-2-nitro-1-propene|1-Phenyl-2-nitro-2-methylethene|1-Phenyl-2-nitro-propylen-(1,2)|2-Nitro-1-phenyl-1-propene|2-Nitro-1-phenylpropene|2-Nitro-3-phenyl-2-propene|3-05-00-01189|Benzene, (2-nitro-1-propen-1-yl)-|Benzene, (2-nitro-1-propenyl)-|Benzene, (2-nitropropenyl)-|Benzene, 2-nitropropenyl-|beta-Methyl-beta-nitrostyrene|BRN 1863853|Caswell No. 604|EPA Pesticide Chemical Code 056302|NSC 2014|Phenyl-2-nitropropene|trans-b-Methyl nitrostyrene|b-Methyl-b-nitrostyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041188
ARPathway2016 ARPathway2016_1435 1-Phenylurea 64-10-8 DTXSID8042507 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC(=O)NC1=CC=CC=C1 1-Phenylurea 64-10-8|1-Phenylurea|EINECS 200-576-5|fenilurea|Monophenylurea|N-Phenylurea|NSC 2781|Phenylcarbamide|Phenylharnstoff|phenylurea|Phenyluree|Stabilisator VH|Stabilizer VH|UNII-862I85399W|Urea, N-phenyl-|Urea, phenyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042507
ARPathway2016 ARPathway2016_1435 1-Phenylurea 64-10-8 DTXSID8042507 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC(=O)NC1=CC=CC=C1 1-Phenylurea 64-10-8|1-Phenylurea|EINECS 200-576-5|fenilurea|Monophenylurea|N-Phenylurea|NSC 2781|Phenylcarbamide|Phenylharnstoff|phenylurea|Phenyluree|Stabilisator VH|Stabilizer VH|UNII-862I85399W|Urea, N-phenyl-|Urea, phenyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042507
ARPathway2016 ARPathway2016_1435 1-Phenylurea 64-10-8 DTXSID8042507 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC(=O)NC1=CC=CC=C1 1-Phenylurea 64-10-8|1-Phenylurea|EINECS 200-576-5|fenilurea|Monophenylurea|N-Phenylurea|NSC 2781|Phenylcarbamide|Phenylharnstoff|phenylurea|Phenyluree|Stabilisator VH|Stabilizer VH|UNII-862I85399W|Urea, N-phenyl-|Urea, phenyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042507
ARPathway2016 ARPathway2016_1435 1-Phenylurea 64-10-8 DTXSID8042507 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC(=O)NC1=CC=CC=C1 1-Phenylurea 64-10-8|1-Phenylurea|EINECS 200-576-5|fenilurea|Monophenylurea|N-Phenylurea|NSC 2781|Phenylcarbamide|Phenylharnstoff|phenylurea|Phenyluree|Stabilisator VH|Stabilizer VH|UNII-862I85399W|Urea, N-phenyl-|Urea, phenyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042507
ERPathway2016 ERPathway2016_1593 1-Phenylurea 64-10-8 DTXSID8042507 ER Pathway Model, Agonist Model Score 0 Unitless NC(=O)NC1=CC=CC=C1 1-Phenylurea 64-10-8|1-Phenylurea|EINECS 200-576-5|fenilurea|Monophenylurea|N-Phenylurea|NSC 2781|Phenylcarbamide|Phenylharnstoff|phenylurea|Phenyluree|Stabilisator VH|Stabilizer VH|UNII-862I85399W|Urea, N-phenyl-|Urea, phenyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042507
ERPathway2016 ERPathway2016_1593 1-Phenylurea 64-10-8 DTXSID8042507 ER Pathway Model, Antagonist Model Score 0 Unitless NC(=O)NC1=CC=CC=C1 1-Phenylurea 64-10-8|1-Phenylurea|EINECS 200-576-5|fenilurea|Monophenylurea|N-Phenylurea|NSC 2781|Phenylcarbamide|Phenylharnstoff|phenylurea|Phenyluree|Stabilisator VH|Stabilizer VH|UNII-862I85399W|Urea, N-phenyl-|Urea, phenyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042507
ERPathway2016 ERPathway2016_1593 1-Phenylurea 64-10-8 DTXSID8042507 ER Pathway Model, Agonist Call Inactive Unitless NC(=O)NC1=CC=CC=C1 1-Phenylurea 64-10-8|1-Phenylurea|EINECS 200-576-5|fenilurea|Monophenylurea|N-Phenylurea|NSC 2781|Phenylcarbamide|Phenylharnstoff|phenylurea|Phenyluree|Stabilisator VH|Stabilizer VH|UNII-862I85399W|Urea, N-phenyl-|Urea, phenyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042507
ERPathway2016 ERPathway2016_1593 1-Phenylurea 64-10-8 DTXSID8042507 ER Pathway Model, Antagonist Call Inactive Unitless NC(=O)NC1=CC=CC=C1 1-Phenylurea 64-10-8|1-Phenylurea|EINECS 200-576-5|fenilurea|Monophenylurea|N-Phenylurea|NSC 2781|Phenylcarbamide|Phenylharnstoff|phenylurea|Phenyluree|Stabilisator VH|Stabilizer VH|UNII-862I85399W|Urea, N-phenyl-|Urea, phenyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042507
ARPathway2016 ARPathway2016_441 1-Piperazineethanol 103-76-4 DTXSID3021853 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCCN1CCNCC1 1-Piperazineethanol 103-76-4|1-Piperazineethanol|(b-Hydroxyethyl)piperazine|1-(2-HYDROXYAETHYL)-PIPERAZIN|1-(2-Hydroxyethyl)piperazine|1-(beta-Hydroxyethyl)piperazine|1-(b-Hydroxyethyl)piperazine|1-Piperazinethanol|2-(1-Piperazinyl)ethanol|2-(Piperazin-1-yl)ethanol|2-Hydroxyethylpiperazine|2-piperazin-1-iletanol|2-Piperazin-1-ylethanol|2-piperazine-1-ylethanol|2-Piperazinoethanol|4-(2-Hydroxyethyl)piperazine|5-23-01-00406|BRN 0104361|EINECS 203-142-3|Ethanol, 2-(1-piperazinyl)-|N-(2-Hydroxyethyl)piperazine|N-(2'-hydroxyethyl) piperazine|N-(2'-Hydroxyethyl)piperazine|N-(beta-Hydroxyethyl)piperazine|N-(b-Hydroxyethyl)piperazine|NSC 26884|NSC 38969|NSC 60706|PIPERAZINE, 1-(2-HYDROXYETHYL)-|UNII-G7VXS31ZFP https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021853
ARPathway2016 ARPathway2016_441 1-Piperazineethanol 103-76-4 DTXSID3021853 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCCN1CCNCC1 1-Piperazineethanol 103-76-4|1-Piperazineethanol|(b-Hydroxyethyl)piperazine|1-(2-HYDROXYAETHYL)-PIPERAZIN|1-(2-Hydroxyethyl)piperazine|1-(beta-Hydroxyethyl)piperazine|1-(b-Hydroxyethyl)piperazine|1-Piperazinethanol|2-(1-Piperazinyl)ethanol|2-(Piperazin-1-yl)ethanol|2-Hydroxyethylpiperazine|2-piperazin-1-iletanol|2-Piperazin-1-ylethanol|2-piperazine-1-ylethanol|2-Piperazinoethanol|4-(2-Hydroxyethyl)piperazine|5-23-01-00406|BRN 0104361|EINECS 203-142-3|Ethanol, 2-(1-piperazinyl)-|N-(2-Hydroxyethyl)piperazine|N-(2'-hydroxyethyl) piperazine|N-(2'-Hydroxyethyl)piperazine|N-(beta-Hydroxyethyl)piperazine|N-(b-Hydroxyethyl)piperazine|NSC 26884|NSC 38969|NSC 60706|PIPERAZINE, 1-(2-HYDROXYETHYL)-|UNII-G7VXS31ZFP https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021853
ARPathway2016 ARPathway2016_441 1-Piperazineethanol 103-76-4 DTXSID3021853 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCCN1CCNCC1 1-Piperazineethanol 103-76-4|1-Piperazineethanol|(b-Hydroxyethyl)piperazine|1-(2-HYDROXYAETHYL)-PIPERAZIN|1-(2-Hydroxyethyl)piperazine|1-(beta-Hydroxyethyl)piperazine|1-(b-Hydroxyethyl)piperazine|1-Piperazinethanol|2-(1-Piperazinyl)ethanol|2-(Piperazin-1-yl)ethanol|2-Hydroxyethylpiperazine|2-piperazin-1-iletanol|2-Piperazin-1-ylethanol|2-piperazine-1-ylethanol|2-Piperazinoethanol|4-(2-Hydroxyethyl)piperazine|5-23-01-00406|BRN 0104361|EINECS 203-142-3|Ethanol, 2-(1-piperazinyl)-|N-(2-Hydroxyethyl)piperazine|N-(2'-hydroxyethyl) piperazine|N-(2'-Hydroxyethyl)piperazine|N-(beta-Hydroxyethyl)piperazine|N-(b-Hydroxyethyl)piperazine|NSC 26884|NSC 38969|NSC 60706|PIPERAZINE, 1-(2-HYDROXYETHYL)-|UNII-G7VXS31ZFP https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021853
ARPathway2016 ARPathway2016_441 1-Piperazineethanol 103-76-4 DTXSID3021853 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCCN1CCNCC1 1-Piperazineethanol 103-76-4|1-Piperazineethanol|(b-Hydroxyethyl)piperazine|1-(2-HYDROXYAETHYL)-PIPERAZIN|1-(2-Hydroxyethyl)piperazine|1-(beta-Hydroxyethyl)piperazine|1-(b-Hydroxyethyl)piperazine|1-Piperazinethanol|2-(1-Piperazinyl)ethanol|2-(Piperazin-1-yl)ethanol|2-Hydroxyethylpiperazine|2-piperazin-1-iletanol|2-Piperazin-1-ylethanol|2-piperazine-1-ylethanol|2-Piperazinoethanol|4-(2-Hydroxyethyl)piperazine|5-23-01-00406|BRN 0104361|EINECS 203-142-3|Ethanol, 2-(1-piperazinyl)-|N-(2-Hydroxyethyl)piperazine|N-(2'-hydroxyethyl) piperazine|N-(2'-Hydroxyethyl)piperazine|N-(beta-Hydroxyethyl)piperazine|N-(b-Hydroxyethyl)piperazine|NSC 26884|NSC 38969|NSC 60706|PIPERAZINE, 1-(2-HYDROXYETHYL)-|UNII-G7VXS31ZFP https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021853
ERPathway2016 ERPathway2016_741 1-Piperazineethanol 103-76-4 DTXSID3021853 A10 ER Pathway Model, Agonist Model Score 0 Unitless OCCN1CCNCC1 1-Piperazineethanol 103-76-4|1-Piperazineethanol|(b-Hydroxyethyl)piperazine|1-(2-HYDROXYAETHYL)-PIPERAZIN|1-(2-Hydroxyethyl)piperazine|1-(beta-Hydroxyethyl)piperazine|1-(b-Hydroxyethyl)piperazine|1-Piperazinethanol|2-(1-Piperazinyl)ethanol|2-(Piperazin-1-yl)ethanol|2-Hydroxyethylpiperazine|2-piperazin-1-iletanol|2-Piperazin-1-ylethanol|2-piperazine-1-ylethanol|2-Piperazinoethanol|4-(2-Hydroxyethyl)piperazine|5-23-01-00406|BRN 0104361|EINECS 203-142-3|Ethanol, 2-(1-piperazinyl)-|N-(2-Hydroxyethyl)piperazine|N-(2'-hydroxyethyl) piperazine|N-(2'-Hydroxyethyl)piperazine|N-(beta-Hydroxyethyl)piperazine|N-(b-Hydroxyethyl)piperazine|NSC 26884|NSC 38969|NSC 60706|PIPERAZINE, 1-(2-HYDROXYETHYL)-|UNII-G7VXS31ZFP https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021853
ERPathway2016 ERPathway2016_741 1-Piperazineethanol 103-76-4 DTXSID3021853 A10 ER Pathway Model, Antagonist Model Score 0 Unitless OCCN1CCNCC1 1-Piperazineethanol 103-76-4|1-Piperazineethanol|(b-Hydroxyethyl)piperazine|1-(2-HYDROXYAETHYL)-PIPERAZIN|1-(2-Hydroxyethyl)piperazine|1-(beta-Hydroxyethyl)piperazine|1-(b-Hydroxyethyl)piperazine|1-Piperazinethanol|2-(1-Piperazinyl)ethanol|2-(Piperazin-1-yl)ethanol|2-Hydroxyethylpiperazine|2-piperazin-1-iletanol|2-Piperazin-1-ylethanol|2-piperazine-1-ylethanol|2-Piperazinoethanol|4-(2-Hydroxyethyl)piperazine|5-23-01-00406|BRN 0104361|EINECS 203-142-3|Ethanol, 2-(1-piperazinyl)-|N-(2-Hydroxyethyl)piperazine|N-(2'-hydroxyethyl) piperazine|N-(2'-Hydroxyethyl)piperazine|N-(beta-Hydroxyethyl)piperazine|N-(b-Hydroxyethyl)piperazine|NSC 26884|NSC 38969|NSC 60706|PIPERAZINE, 1-(2-HYDROXYETHYL)-|UNII-G7VXS31ZFP https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021853
ERPathway2016 ERPathway2016_741 1-Piperazineethanol 103-76-4 DTXSID3021853 A10 ER Pathway Model, Agonist Call Inactive Unitless OCCN1CCNCC1 1-Piperazineethanol 103-76-4|1-Piperazineethanol|(b-Hydroxyethyl)piperazine|1-(2-HYDROXYAETHYL)-PIPERAZIN|1-(2-Hydroxyethyl)piperazine|1-(beta-Hydroxyethyl)piperazine|1-(b-Hydroxyethyl)piperazine|1-Piperazinethanol|2-(1-Piperazinyl)ethanol|2-(Piperazin-1-yl)ethanol|2-Hydroxyethylpiperazine|2-piperazin-1-iletanol|2-Piperazin-1-ylethanol|2-piperazine-1-ylethanol|2-Piperazinoethanol|4-(2-Hydroxyethyl)piperazine|5-23-01-00406|BRN 0104361|EINECS 203-142-3|Ethanol, 2-(1-piperazinyl)-|N-(2-Hydroxyethyl)piperazine|N-(2'-hydroxyethyl) piperazine|N-(2'-Hydroxyethyl)piperazine|N-(beta-Hydroxyethyl)piperazine|N-(b-Hydroxyethyl)piperazine|NSC 26884|NSC 38969|NSC 60706|PIPERAZINE, 1-(2-HYDROXYETHYL)-|UNII-G7VXS31ZFP https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021853
ERPathway2016 ERPathway2016_741 1-Piperazineethanol 103-76-4 DTXSID3021853 A10 ER Pathway Model, Antagonist Call Inactive Unitless OCCN1CCNCC1 1-Piperazineethanol 103-76-4|1-Piperazineethanol|(b-Hydroxyethyl)piperazine|1-(2-HYDROXYAETHYL)-PIPERAZIN|1-(2-Hydroxyethyl)piperazine|1-(beta-Hydroxyethyl)piperazine|1-(b-Hydroxyethyl)piperazine|1-Piperazinethanol|2-(1-Piperazinyl)ethanol|2-(Piperazin-1-yl)ethanol|2-Hydroxyethylpiperazine|2-piperazin-1-iletanol|2-Piperazin-1-ylethanol|2-piperazine-1-ylethanol|2-Piperazinoethanol|4-(2-Hydroxyethyl)piperazine|5-23-01-00406|BRN 0104361|EINECS 203-142-3|Ethanol, 2-(1-piperazinyl)-|N-(2-Hydroxyethyl)piperazine|N-(2'-hydroxyethyl) piperazine|N-(2'-Hydroxyethyl)piperazine|N-(beta-Hydroxyethyl)piperazine|N-(b-Hydroxyethyl)piperazine|NSC 26884|NSC 38969|NSC 60706|PIPERAZINE, 1-(2-HYDROXYETHYL)-|UNII-G7VXS31ZFP https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021853
ARPathway2016 ARPathway2016_1508 1-Propanol 71-23-8 DTXSID2021739 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCO 1-Propanol 71-23-8|1-Propanol|1-Hydroxypropane|1-Propyl alcohol|4-01-00-01413|Albacol|Alcohol, propyl|Alcool propilico|Alcool propylique|BRN 1098242|Caswell No. 709A|EINECS 200-746-9|EPA Pesticide Chemical Code 047502|ethyl carbinol|Ethylcarbinol|FEMA No. 2928|FEMA Number 2928|Hydroxypropane|n-propan-1-ol|n-propanol|N-PROPYL ALCOHOL|n-Propyl alkohol|n-Propylalkohol|NSC 30300|Osmosol extra|Propan-1-ol|propane-1-ol|Propanol|propanol-1|Propanole|Propanolen|Propanoli|Propyl alcohol|Propyl alcohol, normal|Propylan-propyl alcohol|Propylic alcohol|Propylowy alkohol|UN 1274|UNII-96F264O9SV https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021739
ARPathway2016 ARPathway2016_1508 1-Propanol 71-23-8 DTXSID2021739 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCO 1-Propanol 71-23-8|1-Propanol|1-Hydroxypropane|1-Propyl alcohol|4-01-00-01413|Albacol|Alcohol, propyl|Alcool propilico|Alcool propylique|BRN 1098242|Caswell No. 709A|EINECS 200-746-9|EPA Pesticide Chemical Code 047502|ethyl carbinol|Ethylcarbinol|FEMA No. 2928|FEMA Number 2928|Hydroxypropane|n-propan-1-ol|n-propanol|N-PROPYL ALCOHOL|n-Propyl alkohol|n-Propylalkohol|NSC 30300|Osmosol extra|Propan-1-ol|propane-1-ol|Propanol|propanol-1|Propanole|Propanolen|Propanoli|Propyl alcohol|Propyl alcohol, normal|Propylan-propyl alcohol|Propylic alcohol|Propylowy alkohol|UN 1274|UNII-96F264O9SV https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021739
ARPathway2016 ARPathway2016_1508 1-Propanol 71-23-8 DTXSID2021739 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCO 1-Propanol 71-23-8|1-Propanol|1-Hydroxypropane|1-Propyl alcohol|4-01-00-01413|Albacol|Alcohol, propyl|Alcool propilico|Alcool propylique|BRN 1098242|Caswell No. 709A|EINECS 200-746-9|EPA Pesticide Chemical Code 047502|ethyl carbinol|Ethylcarbinol|FEMA No. 2928|FEMA Number 2928|Hydroxypropane|n-propan-1-ol|n-propanol|N-PROPYL ALCOHOL|n-Propyl alkohol|n-Propylalkohol|NSC 30300|Osmosol extra|Propan-1-ol|propane-1-ol|Propanol|propanol-1|Propanole|Propanolen|Propanoli|Propyl alcohol|Propyl alcohol, normal|Propylan-propyl alcohol|Propylic alcohol|Propylowy alkohol|UN 1274|UNII-96F264O9SV https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021739
ARPathway2016 ARPathway2016_1508 1-Propanol 71-23-8 DTXSID2021739 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCO 1-Propanol 71-23-8|1-Propanol|1-Hydroxypropane|1-Propyl alcohol|4-01-00-01413|Albacol|Alcohol, propyl|Alcool propilico|Alcool propylique|BRN 1098242|Caswell No. 709A|EINECS 200-746-9|EPA Pesticide Chemical Code 047502|ethyl carbinol|Ethylcarbinol|FEMA No. 2928|FEMA Number 2928|Hydroxypropane|n-propan-1-ol|n-propanol|N-PROPYL ALCOHOL|n-Propyl alkohol|n-Propylalkohol|NSC 30300|Osmosol extra|Propan-1-ol|propane-1-ol|Propanol|propanol-1|Propanole|Propanolen|Propanoli|Propyl alcohol|Propyl alcohol, normal|Propylan-propyl alcohol|Propylic alcohol|Propylowy alkohol|UN 1274|UNII-96F264O9SV https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021739
ERPathway2016 ERPathway2016_1625 1-Propanol 71-23-8 DTXSID2021739 ER Pathway Model, Agonist Model Score 0 Unitless CCCO 1-Propanol 71-23-8|1-Propanol|1-Hydroxypropane|1-Propyl alcohol|4-01-00-01413|Albacol|Alcohol, propyl|Alcool propilico|Alcool propylique|BRN 1098242|Caswell No. 709A|EINECS 200-746-9|EPA Pesticide Chemical Code 047502|ethyl carbinol|Ethylcarbinol|FEMA No. 2928|FEMA Number 2928|Hydroxypropane|n-propan-1-ol|n-propanol|N-PROPYL ALCOHOL|n-Propyl alkohol|n-Propylalkohol|NSC 30300|Osmosol extra|Propan-1-ol|propane-1-ol|Propanol|propanol-1|Propanole|Propanolen|Propanoli|Propyl alcohol|Propyl alcohol, normal|Propylan-propyl alcohol|Propylic alcohol|Propylowy alkohol|UN 1274|UNII-96F264O9SV https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021739
ERPathway2016 ERPathway2016_1625 1-Propanol 71-23-8 DTXSID2021739 ER Pathway Model, Antagonist Model Score 0 Unitless CCCO 1-Propanol 71-23-8|1-Propanol|1-Hydroxypropane|1-Propyl alcohol|4-01-00-01413|Albacol|Alcohol, propyl|Alcool propilico|Alcool propylique|BRN 1098242|Caswell No. 709A|EINECS 200-746-9|EPA Pesticide Chemical Code 047502|ethyl carbinol|Ethylcarbinol|FEMA No. 2928|FEMA Number 2928|Hydroxypropane|n-propan-1-ol|n-propanol|N-PROPYL ALCOHOL|n-Propyl alkohol|n-Propylalkohol|NSC 30300|Osmosol extra|Propan-1-ol|propane-1-ol|Propanol|propanol-1|Propanole|Propanolen|Propanoli|Propyl alcohol|Propyl alcohol, normal|Propylan-propyl alcohol|Propylic alcohol|Propylowy alkohol|UN 1274|UNII-96F264O9SV https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021739
ERPathway2016 ERPathway2016_1625 1-Propanol 71-23-8 DTXSID2021739 ER Pathway Model, Agonist Call Inactive Unitless CCCO 1-Propanol 71-23-8|1-Propanol|1-Hydroxypropane|1-Propyl alcohol|4-01-00-01413|Albacol|Alcohol, propyl|Alcool propilico|Alcool propylique|BRN 1098242|Caswell No. 709A|EINECS 200-746-9|EPA Pesticide Chemical Code 047502|ethyl carbinol|Ethylcarbinol|FEMA No. 2928|FEMA Number 2928|Hydroxypropane|n-propan-1-ol|n-propanol|N-PROPYL ALCOHOL|n-Propyl alkohol|n-Propylalkohol|NSC 30300|Osmosol extra|Propan-1-ol|propane-1-ol|Propanol|propanol-1|Propanole|Propanolen|Propanoli|Propyl alcohol|Propyl alcohol, normal|Propylan-propyl alcohol|Propylic alcohol|Propylowy alkohol|UN 1274|UNII-96F264O9SV https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021739
ERPathway2016 ERPathway2016_1625 1-Propanol 71-23-8 DTXSID2021739 ER Pathway Model, Antagonist Call Inactive Unitless CCCO 1-Propanol 71-23-8|1-Propanol|1-Hydroxypropane|1-Propyl alcohol|4-01-00-01413|Albacol|Alcohol, propyl|Alcool propilico|Alcool propylique|BRN 1098242|Caswell No. 709A|EINECS 200-746-9|EPA Pesticide Chemical Code 047502|ethyl carbinol|Ethylcarbinol|FEMA No. 2928|FEMA Number 2928|Hydroxypropane|n-propan-1-ol|n-propanol|N-PROPYL ALCOHOL|n-Propyl alkohol|n-Propylalkohol|NSC 30300|Osmosol extra|Propan-1-ol|propane-1-ol|Propanol|propanol-1|Propanole|Propanolen|Propanoli|Propyl alcohol|Propyl alcohol, normal|Propylan-propyl alcohol|Propylic alcohol|Propylowy alkohol|UN 1274|UNII-96F264O9SV https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021739
ARPathway2016 ARPathway2016_901 1-Propoxy-2-propanol 1569-01-3 DTXSID5029217 1.0 A9 AR Pathway Model, Antagonist Model Score 0 Unitless CCCOCC(C)O 1-Propoxy-2-propanol 1569-01-3|1-Propoxy-2-propanol|1-propoxipropan-2-ol|1-Propoxypropan-2-ol|1-propoxypropane-2-ol|1,2-Propylene glycol 1-propyl ether|2-HEPTANOL, 4-OXA-|2-Propanol, 1-propoxy-|Arcosolv PNP|BRN 1732636|EINECS 216-372-4|glycol ether PnP|Propylene glycol n-propyl ether|Propylene glycol-n-monopropyl ether|UNII-152BY1743W https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029217
ARPathway2016 ARPathway2016_901 1-Propoxy-2-propanol 1569-01-3 DTXSID5029217 1.0 A9 AR Pathway Model, Agonist Model Score 0 Unitless CCCOCC(C)O 1-Propoxy-2-propanol 1569-01-3|1-Propoxy-2-propanol|1-propoxipropan-2-ol|1-Propoxypropan-2-ol|1-propoxypropane-2-ol|1,2-Propylene glycol 1-propyl ether|2-HEPTANOL, 4-OXA-|2-Propanol, 1-propoxy-|Arcosolv PNP|BRN 1732636|EINECS 216-372-4|glycol ether PnP|Propylene glycol n-propyl ether|Propylene glycol-n-monopropyl ether|UNII-152BY1743W https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029217
ARPathway2016 ARPathway2016_901 1-Propoxy-2-propanol 1569-01-3 DTXSID5029217 1.0 A9 AR Pathway Model, Agonist Call Inactive Unitless CCCOCC(C)O 1-Propoxy-2-propanol 1569-01-3|1-Propoxy-2-propanol|1-propoxipropan-2-ol|1-Propoxypropan-2-ol|1-propoxypropane-2-ol|1,2-Propylene glycol 1-propyl ether|2-HEPTANOL, 4-OXA-|2-Propanol, 1-propoxy-|Arcosolv PNP|BRN 1732636|EINECS 216-372-4|glycol ether PnP|Propylene glycol n-propyl ether|Propylene glycol-n-monopropyl ether|UNII-152BY1743W https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029217
ARPathway2016 ARPathway2016_901 1-Propoxy-2-propanol 1569-01-3 DTXSID5029217 1.0 A9 AR Pathway Model, Antagonist Call Inactive Unitless CCCOCC(C)O 1-Propoxy-2-propanol 1569-01-3|1-Propoxy-2-propanol|1-propoxipropan-2-ol|1-Propoxypropan-2-ol|1-propoxypropane-2-ol|1,2-Propylene glycol 1-propyl ether|2-HEPTANOL, 4-OXA-|2-Propanol, 1-propoxy-|Arcosolv PNP|BRN 1732636|EINECS 216-372-4|glycol ether PnP|Propylene glycol n-propyl ether|Propylene glycol-n-monopropyl ether|UNII-152BY1743W https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029217
ERPathway2016 ERPathway2016_1331 1-Propoxy-2-propanol 1569-01-3 DTXSID5029217 ER Pathway Model, Agonist Model Score 0 Unitless CCCOCC(C)O 1-Propoxy-2-propanol 1569-01-3|1-Propoxy-2-propanol|1-propoxipropan-2-ol|1-Propoxypropan-2-ol|1-propoxypropane-2-ol|1,2-Propylene glycol 1-propyl ether|2-HEPTANOL, 4-OXA-|2-Propanol, 1-propoxy-|Arcosolv PNP|BRN 1732636|EINECS 216-372-4|glycol ether PnP|Propylene glycol n-propyl ether|Propylene glycol-n-monopropyl ether|UNII-152BY1743W https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029217
ERPathway2016 ERPathway2016_1331 1-Propoxy-2-propanol 1569-01-3 DTXSID5029217 ER Pathway Model, Antagonist Model Score 0 Unitless CCCOCC(C)O 1-Propoxy-2-propanol 1569-01-3|1-Propoxy-2-propanol|1-propoxipropan-2-ol|1-Propoxypropan-2-ol|1-propoxypropane-2-ol|1,2-Propylene glycol 1-propyl ether|2-HEPTANOL, 4-OXA-|2-Propanol, 1-propoxy-|Arcosolv PNP|BRN 1732636|EINECS 216-372-4|glycol ether PnP|Propylene glycol n-propyl ether|Propylene glycol-n-monopropyl ether|UNII-152BY1743W https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029217
ERPathway2016 ERPathway2016_1331 1-Propoxy-2-propanol 1569-01-3 DTXSID5029217 ER Pathway Model, Agonist Call Inactive Unitless CCCOCC(C)O 1-Propoxy-2-propanol 1569-01-3|1-Propoxy-2-propanol|1-propoxipropan-2-ol|1-Propoxypropan-2-ol|1-propoxypropane-2-ol|1,2-Propylene glycol 1-propyl ether|2-HEPTANOL, 4-OXA-|2-Propanol, 1-propoxy-|Arcosolv PNP|BRN 1732636|EINECS 216-372-4|glycol ether PnP|Propylene glycol n-propyl ether|Propylene glycol-n-monopropyl ether|UNII-152BY1743W https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029217
ERPathway2016 ERPathway2016_1331 1-Propoxy-2-propanol 1569-01-3 DTXSID5029217 ER Pathway Model, Antagonist Call Inactive Unitless CCCOCC(C)O 1-Propoxy-2-propanol 1569-01-3|1-Propoxy-2-propanol|1-propoxipropan-2-ol|1-Propoxypropan-2-ol|1-propoxypropane-2-ol|1,2-Propylene glycol 1-propyl ether|2-HEPTANOL, 4-OXA-|2-Propanol, 1-propoxy-|Arcosolv PNP|BRN 1732636|EINECS 216-372-4|glycol ether PnP|Propylene glycol n-propyl ether|Propylene glycol-n-monopropyl ether|UNII-152BY1743W https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029217
ARPathway2016 ARPathway2016_347 1-Tetradecanol 112-72-1 DTXSID9026926 0.0 R5 AR Pathway Model, Antagonist ACC 6.96973943208125 uM CCCCCCCCCCCCCCO 1-Tetradecanol 112-72-1|1-Tetradecanol|1-Hydroxytetradecane|1-Tetradecyl alcohol|204-000-3|4-01-00-01864|Adol 18|Alcohol(C14)|Alfol 14|BRN 1742652|C14 alcohol|Conol 1495|EC No.: 204-000-3|EINECS 204-000-3|Fatty alcohol(C14)|Hainol 14SS|Hinol 14SS|Kalcohl 40|Kalcohl 4098|Kalcol 4098|Kolliwax MA|Lanette 14|Lanette K|Lanette Wax KS|Lorol C 14|Loxanol V|Myristic alcohol|Myristyl alcohol|n-Tetradecan-1-ol|n-Tetradecanol|n-Tetradecanol-1|n-Tetradecyl alcohol|Nacol 14-95|Nacol 14-98|Nafol 14|NSC 8549|P.C. Code 001510|PC Code 001510|Speziol C 14 Pharma|TETRADECAN-1-OL|Tetradecyl alcohol|UNII-V42034O9PU|150138-88-8|8032-14-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026926
ARPathway2016 ARPathway2016_347 1-Tetradecanol 112-72-1 DTXSID9026926 0.0 R5 AR Pathway Model, Antagonist AC50 25.7456339608277 uM CCCCCCCCCCCCCCO 1-Tetradecanol 112-72-1|1-Tetradecanol|1-Hydroxytetradecane|1-Tetradecyl alcohol|204-000-3|4-01-00-01864|Adol 18|Alcohol(C14)|Alfol 14|BRN 1742652|C14 alcohol|Conol 1495|EC No.: 204-000-3|EINECS 204-000-3|Fatty alcohol(C14)|Hainol 14SS|Hinol 14SS|Kalcohl 40|Kalcohl 4098|Kalcol 4098|Kolliwax MA|Lanette 14|Lanette K|Lanette Wax KS|Lorol C 14|Loxanol V|Myristic alcohol|Myristyl alcohol|n-Tetradecan-1-ol|n-Tetradecanol|n-Tetradecanol-1|n-Tetradecyl alcohol|Nacol 14-95|Nacol 14-98|Nafol 14|NSC 8549|P.C. Code 001510|PC Code 001510|Speziol C 14 Pharma|TETRADECAN-1-OL|Tetradecyl alcohol|UNII-V42034O9PU|150138-88-8|8032-14-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026926
ARPathway2016 ARPathway2016_347 1-Tetradecanol 112-72-1 DTXSID9026926 0.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCCO 1-Tetradecanol 112-72-1|1-Tetradecanol|1-Hydroxytetradecane|1-Tetradecyl alcohol|204-000-3|4-01-00-01864|Adol 18|Alcohol(C14)|Alfol 14|BRN 1742652|C14 alcohol|Conol 1495|EC No.: 204-000-3|EINECS 204-000-3|Fatty alcohol(C14)|Hainol 14SS|Hinol 14SS|Kalcohl 40|Kalcohl 4098|Kalcol 4098|Kolliwax MA|Lanette 14|Lanette K|Lanette Wax KS|Lorol C 14|Loxanol V|Myristic alcohol|Myristyl alcohol|n-Tetradecan-1-ol|n-Tetradecanol|n-Tetradecanol-1|n-Tetradecyl alcohol|Nacol 14-95|Nacol 14-98|Nafol 14|NSC 8549|P.C. Code 001510|PC Code 001510|Speziol C 14 Pharma|TETRADECAN-1-OL|Tetradecyl alcohol|UNII-V42034O9PU|150138-88-8|8032-14-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026926
ARPathway2016 ARPathway2016_347 1-Tetradecanol 112-72-1 DTXSID9026926 0.0 R5 AR Pathway Model, Agonist Model Score 0.0143 Unitless CCCCCCCCCCCCCCO 1-Tetradecanol 112-72-1|1-Tetradecanol|1-Hydroxytetradecane|1-Tetradecyl alcohol|204-000-3|4-01-00-01864|Adol 18|Alcohol(C14)|Alfol 14|BRN 1742652|C14 alcohol|Conol 1495|EC No.: 204-000-3|EINECS 204-000-3|Fatty alcohol(C14)|Hainol 14SS|Hinol 14SS|Kalcohl 40|Kalcohl 4098|Kalcol 4098|Kolliwax MA|Lanette 14|Lanette K|Lanette Wax KS|Lorol C 14|Loxanol V|Myristic alcohol|Myristyl alcohol|n-Tetradecan-1-ol|n-Tetradecanol|n-Tetradecanol-1|n-Tetradecyl alcohol|Nacol 14-95|Nacol 14-98|Nafol 14|NSC 8549|P.C. Code 001510|PC Code 001510|Speziol C 14 Pharma|TETRADECAN-1-OL|Tetradecyl alcohol|UNII-V42034O9PU|150138-88-8|8032-14-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026926
ARPathway2016 ARPathway2016_347 1-Tetradecanol 112-72-1 DTXSID9026926 0.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCCO 1-Tetradecanol 112-72-1|1-Tetradecanol|1-Hydroxytetradecane|1-Tetradecyl alcohol|204-000-3|4-01-00-01864|Adol 18|Alcohol(C14)|Alfol 14|BRN 1742652|C14 alcohol|Conol 1495|EC No.: 204-000-3|EINECS 204-000-3|Fatty alcohol(C14)|Hainol 14SS|Hinol 14SS|Kalcohl 40|Kalcohl 4098|Kalcol 4098|Kolliwax MA|Lanette 14|Lanette K|Lanette Wax KS|Lorol C 14|Loxanol V|Myristic alcohol|Myristyl alcohol|n-Tetradecan-1-ol|n-Tetradecanol|n-Tetradecanol-1|n-Tetradecyl alcohol|Nacol 14-95|Nacol 14-98|Nafol 14|NSC 8549|P.C. Code 001510|PC Code 001510|Speziol C 14 Pharma|TETRADECAN-1-OL|Tetradecyl alcohol|UNII-V42034O9PU|150138-88-8|8032-14-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026926
ARPathway2016 ARPathway2016_347 1-Tetradecanol 112-72-1 DTXSID9026926 0.0 R5 AR Pathway Model, Antagonist Call Active Unitless CCCCCCCCCCCCCCO 1-Tetradecanol 112-72-1|1-Tetradecanol|1-Hydroxytetradecane|1-Tetradecyl alcohol|204-000-3|4-01-00-01864|Adol 18|Alcohol(C14)|Alfol 14|BRN 1742652|C14 alcohol|Conol 1495|EC No.: 204-000-3|EINECS 204-000-3|Fatty alcohol(C14)|Hainol 14SS|Hinol 14SS|Kalcohl 40|Kalcohl 4098|Kalcol 4098|Kolliwax MA|Lanette 14|Lanette K|Lanette Wax KS|Lorol C 14|Loxanol V|Myristic alcohol|Myristyl alcohol|n-Tetradecan-1-ol|n-Tetradecanol|n-Tetradecanol-1|n-Tetradecyl alcohol|Nacol 14-95|Nacol 14-98|Nafol 14|NSC 8549|P.C. Code 001510|PC Code 001510|Speziol C 14 Pharma|TETRADECAN-1-OL|Tetradecyl alcohol|UNII-V42034O9PU|150138-88-8|8032-14-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026926
ERPathway2016 ERPathway2016_1180 1-Tetradecanol 112-72-1 DTXSID9026926 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCCO 1-Tetradecanol 112-72-1|1-Tetradecanol|1-Hydroxytetradecane|1-Tetradecyl alcohol|204-000-3|4-01-00-01864|Adol 18|Alcohol(C14)|Alfol 14|BRN 1742652|C14 alcohol|Conol 1495|EC No.: 204-000-3|EINECS 204-000-3|Fatty alcohol(C14)|Hainol 14SS|Hinol 14SS|Kalcohl 40|Kalcohl 4098|Kalcol 4098|Kolliwax MA|Lanette 14|Lanette K|Lanette Wax KS|Lorol C 14|Loxanol V|Myristic alcohol|Myristyl alcohol|n-Tetradecan-1-ol|n-Tetradecanol|n-Tetradecanol-1|n-Tetradecyl alcohol|Nacol 14-95|Nacol 14-98|Nafol 14|NSC 8549|P.C. Code 001510|PC Code 001510|Speziol C 14 Pharma|TETRADECAN-1-OL|Tetradecyl alcohol|UNII-V42034O9PU|150138-88-8|8032-14-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026926
ERPathway2016 ERPathway2016_1180 1-Tetradecanol 112-72-1 DTXSID9026926 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCCO 1-Tetradecanol 112-72-1|1-Tetradecanol|1-Hydroxytetradecane|1-Tetradecyl alcohol|204-000-3|4-01-00-01864|Adol 18|Alcohol(C14)|Alfol 14|BRN 1742652|C14 alcohol|Conol 1495|EC No.: 204-000-3|EINECS 204-000-3|Fatty alcohol(C14)|Hainol 14SS|Hinol 14SS|Kalcohl 40|Kalcohl 4098|Kalcol 4098|Kolliwax MA|Lanette 14|Lanette K|Lanette Wax KS|Lorol C 14|Loxanol V|Myristic alcohol|Myristyl alcohol|n-Tetradecan-1-ol|n-Tetradecanol|n-Tetradecanol-1|n-Tetradecyl alcohol|Nacol 14-95|Nacol 14-98|Nafol 14|NSC 8549|P.C. Code 001510|PC Code 001510|Speziol C 14 Pharma|TETRADECAN-1-OL|Tetradecyl alcohol|UNII-V42034O9PU|150138-88-8|8032-14-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026926
ERPathway2016 ERPathway2016_1180 1-Tetradecanol 112-72-1 DTXSID9026926 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCCO 1-Tetradecanol 112-72-1|1-Tetradecanol|1-Hydroxytetradecane|1-Tetradecyl alcohol|204-000-3|4-01-00-01864|Adol 18|Alcohol(C14)|Alfol 14|BRN 1742652|C14 alcohol|Conol 1495|EC No.: 204-000-3|EINECS 204-000-3|Fatty alcohol(C14)|Hainol 14SS|Hinol 14SS|Kalcohl 40|Kalcohl 4098|Kalcol 4098|Kolliwax MA|Lanette 14|Lanette K|Lanette Wax KS|Lorol C 14|Loxanol V|Myristic alcohol|Myristyl alcohol|n-Tetradecan-1-ol|n-Tetradecanol|n-Tetradecanol-1|n-Tetradecyl alcohol|Nacol 14-95|Nacol 14-98|Nafol 14|NSC 8549|P.C. Code 001510|PC Code 001510|Speziol C 14 Pharma|TETRADECAN-1-OL|Tetradecyl alcohol|UNII-V42034O9PU|150138-88-8|8032-14-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026926
ERPathway2016 ERPathway2016_1180 1-Tetradecanol 112-72-1 DTXSID9026926 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCCO 1-Tetradecanol 112-72-1|1-Tetradecanol|1-Hydroxytetradecane|1-Tetradecyl alcohol|204-000-3|4-01-00-01864|Adol 18|Alcohol(C14)|Alfol 14|BRN 1742652|C14 alcohol|Conol 1495|EC No.: 204-000-3|EINECS 204-000-3|Fatty alcohol(C14)|Hainol 14SS|Hinol 14SS|Kalcohl 40|Kalcohl 4098|Kalcol 4098|Kolliwax MA|Lanette 14|Lanette K|Lanette Wax KS|Lorol C 14|Loxanol V|Myristic alcohol|Myristyl alcohol|n-Tetradecan-1-ol|n-Tetradecanol|n-Tetradecanol-1|n-Tetradecyl alcohol|Nacol 14-95|Nacol 14-98|Nafol 14|NSC 8549|P.C. Code 001510|PC Code 001510|Speziol C 14 Pharma|TETRADECAN-1-OL|Tetradecyl alcohol|UNII-V42034O9PU|150138-88-8|8032-14-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026926
ARPathway2016 ARPathway2016_592 1-Tetradecene 1120-36-1 DTXSID4027367 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCC=C 1-Tetradecene 1120-36-1|1-Tetradecene|1-Butadecene|1-Tetradecylene|a-Tetradecene|alpha-Tetradecene|Dialen 14|EINECS 214-306-9|Linealene 14|n-Tetradec-1-ene|Neodene 14|NeoSolv 4|NSC 66434|Tetradec-1-en|tetradec-1-ene|tetradec-1-eno|UNII-FW23481S7S|a-Tetradecene https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027367
ARPathway2016 ARPathway2016_592 1-Tetradecene 1120-36-1 DTXSID4027367 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCC=C 1-Tetradecene 1120-36-1|1-Tetradecene|1-Butadecene|1-Tetradecylene|a-Tetradecene|alpha-Tetradecene|Dialen 14|EINECS 214-306-9|Linealene 14|n-Tetradec-1-ene|Neodene 14|NeoSolv 4|NSC 66434|Tetradec-1-en|tetradec-1-ene|tetradec-1-eno|UNII-FW23481S7S|a-Tetradecene https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027367
ARPathway2016 ARPathway2016_592 1-Tetradecene 1120-36-1 DTXSID4027367 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCC=C 1-Tetradecene 1120-36-1|1-Tetradecene|1-Butadecene|1-Tetradecylene|a-Tetradecene|alpha-Tetradecene|Dialen 14|EINECS 214-306-9|Linealene 14|n-Tetradec-1-ene|Neodene 14|NeoSolv 4|NSC 66434|Tetradec-1-en|tetradec-1-ene|tetradec-1-eno|UNII-FW23481S7S|a-Tetradecene https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027367
ARPathway2016 ARPathway2016_592 1-Tetradecene 1120-36-1 DTXSID4027367 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCC=C 1-Tetradecene 1120-36-1|1-Tetradecene|1-Butadecene|1-Tetradecylene|a-Tetradecene|alpha-Tetradecene|Dialen 14|EINECS 214-306-9|Linealene 14|n-Tetradec-1-ene|Neodene 14|NeoSolv 4|NSC 66434|Tetradec-1-en|tetradec-1-ene|tetradec-1-eno|UNII-FW23481S7S|a-Tetradecene https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027367
ARPathway2016 ARPathway2016_615 1-Tridecanol 112-70-9 DTXSID2021947 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCO 1-Tridecanol 112-70-9|1-Tridecanol|BRN 1739991|EINECS 203-998-8|Fatty alcohol c-13|n-Tridecan-1-ol|n-Tridecanol|n-Tridecyl alcohol|NSC 5252|Tridecyl alcohol|UNII-8I9428H868 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021947
ARPathway2016 ARPathway2016_615 1-Tridecanol 112-70-9 DTXSID2021947 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCO 1-Tridecanol 112-70-9|1-Tridecanol|BRN 1739991|EINECS 203-998-8|Fatty alcohol c-13|n-Tridecan-1-ol|n-Tridecanol|n-Tridecyl alcohol|NSC 5252|Tridecyl alcohol|UNII-8I9428H868 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021947
ARPathway2016 ARPathway2016_615 1-Tridecanol 112-70-9 DTXSID2021947 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCO 1-Tridecanol 112-70-9|1-Tridecanol|BRN 1739991|EINECS 203-998-8|Fatty alcohol c-13|n-Tridecan-1-ol|n-Tridecanol|n-Tridecyl alcohol|NSC 5252|Tridecyl alcohol|UNII-8I9428H868 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021947
ARPathway2016 ARPathway2016_615 1-Tridecanol 112-70-9 DTXSID2021947 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCO 1-Tridecanol 112-70-9|1-Tridecanol|BRN 1739991|EINECS 203-998-8|Fatty alcohol c-13|n-Tridecan-1-ol|n-Tridecanol|n-Tridecyl alcohol|NSC 5252|Tridecyl alcohol|UNII-8I9428H868 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021947
ERPathway2016 ERPathway2016_446 1-Tridecanol 112-70-9 DTXSID2021947 ER Pathway Model, Antagonist AC50 62.573592478616 uM CCCCCCCCCCCCCO 1-Tridecanol 112-70-9|1-Tridecanol|BRN 1739991|EINECS 203-998-8|Fatty alcohol c-13|n-Tridecan-1-ol|n-Tridecanol|n-Tridecyl alcohol|NSC 5252|Tridecyl alcohol|UNII-8I9428H868 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021947
ERPathway2016 ERPathway2016_446 1-Tridecanol 112-70-9 DTXSID2021947 ER Pathway Model, Antagonist ACC 65.8788024760052 uM CCCCCCCCCCCCCO 1-Tridecanol 112-70-9|1-Tridecanol|BRN 1739991|EINECS 203-998-8|Fatty alcohol c-13|n-Tridecan-1-ol|n-Tridecanol|n-Tridecyl alcohol|NSC 5252|Tridecyl alcohol|UNII-8I9428H868 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021947
ERPathway2016 ERPathway2016_446 1-Tridecanol 112-70-9 DTXSID2021947 ER Pathway Model, Agonist Model Score 0.00481 Unitless CCCCCCCCCCCCCO 1-Tridecanol 112-70-9|1-Tridecanol|BRN 1739991|EINECS 203-998-8|Fatty alcohol c-13|n-Tridecan-1-ol|n-Tridecanol|n-Tridecyl alcohol|NSC 5252|Tridecyl alcohol|UNII-8I9428H868 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021947
ERPathway2016 ERPathway2016_446 1-Tridecanol 112-70-9 DTXSID2021947 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCO 1-Tridecanol 112-70-9|1-Tridecanol|BRN 1739991|EINECS 203-998-8|Fatty alcohol c-13|n-Tridecan-1-ol|n-Tridecanol|n-Tridecyl alcohol|NSC 5252|Tridecyl alcohol|UNII-8I9428H868 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021947
ERPathway2016 ERPathway2016_446 1-Tridecanol 112-70-9 DTXSID2021947 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCO 1-Tridecanol 112-70-9|1-Tridecanol|BRN 1739991|EINECS 203-998-8|Fatty alcohol c-13|n-Tridecan-1-ol|n-Tridecanol|n-Tridecyl alcohol|NSC 5252|Tridecyl alcohol|UNII-8I9428H868 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021947
ERPathway2016 ERPathway2016_446 1-Tridecanol 112-70-9 DTXSID2021947 ER Pathway Model, Antagonist Call Active Unitless CCCCCCCCCCCCCO 1-Tridecanol 112-70-9|1-Tridecanol|BRN 1739991|EINECS 203-998-8|Fatty alcohol c-13|n-Tridecan-1-ol|n-Tridecanol|n-Tridecyl alcohol|NSC 5252|Tridecyl alcohol|UNII-8I9428H868 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021947
ARPathway2016 ARPathway2016_608 1-Undecanol 112-42-5 DTXSID0026915 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCO 1-Undecanol 112-42-5|1-Undecanol|1-Hendecanol|1-Hydroxyundecane|1-Undecyl alcohol|4-01-00-01835|Alcohol C-11|ALCOHOL C-11 (1-UNDECANOL)|BRN 1698334|C11 alcohol|Decyl carbinol|EINECS 203-970-5|Fatty alcohol(C11)|FEMA No. 3097|Hendecanoic alcohol|Hendecyl alcohol|n-Hendecylenic alcohol|n-Undecan-1-ol|n-Undecanol|n-Undecyl alcohol|NSC 403667|Tip-Nip|Undecan-1-ol|undecane-1-ol|undecanol|Undecyl alcohol|UNII-06MJ0P28T3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026915
ARPathway2016 ARPathway2016_608 1-Undecanol 112-42-5 DTXSID0026915 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCO 1-Undecanol 112-42-5|1-Undecanol|1-Hendecanol|1-Hydroxyundecane|1-Undecyl alcohol|4-01-00-01835|Alcohol C-11|ALCOHOL C-11 (1-UNDECANOL)|BRN 1698334|C11 alcohol|Decyl carbinol|EINECS 203-970-5|Fatty alcohol(C11)|FEMA No. 3097|Hendecanoic alcohol|Hendecyl alcohol|n-Hendecylenic alcohol|n-Undecan-1-ol|n-Undecanol|n-Undecyl alcohol|NSC 403667|Tip-Nip|Undecan-1-ol|undecane-1-ol|undecanol|Undecyl alcohol|UNII-06MJ0P28T3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026915
ARPathway2016 ARPathway2016_608 1-Undecanol 112-42-5 DTXSID0026915 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCO 1-Undecanol 112-42-5|1-Undecanol|1-Hendecanol|1-Hydroxyundecane|1-Undecyl alcohol|4-01-00-01835|Alcohol C-11|ALCOHOL C-11 (1-UNDECANOL)|BRN 1698334|C11 alcohol|Decyl carbinol|EINECS 203-970-5|Fatty alcohol(C11)|FEMA No. 3097|Hendecanoic alcohol|Hendecyl alcohol|n-Hendecylenic alcohol|n-Undecan-1-ol|n-Undecanol|n-Undecyl alcohol|NSC 403667|Tip-Nip|Undecan-1-ol|undecane-1-ol|undecanol|Undecyl alcohol|UNII-06MJ0P28T3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026915
ARPathway2016 ARPathway2016_608 1-Undecanol 112-42-5 DTXSID0026915 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCO 1-Undecanol 112-42-5|1-Undecanol|1-Hendecanol|1-Hydroxyundecane|1-Undecyl alcohol|4-01-00-01835|Alcohol C-11|ALCOHOL C-11 (1-UNDECANOL)|BRN 1698334|C11 alcohol|Decyl carbinol|EINECS 203-970-5|Fatty alcohol(C11)|FEMA No. 3097|Hendecanoic alcohol|Hendecyl alcohol|n-Hendecylenic alcohol|n-Undecan-1-ol|n-Undecanol|n-Undecyl alcohol|NSC 403667|Tip-Nip|Undecan-1-ol|undecane-1-ol|undecanol|Undecyl alcohol|UNII-06MJ0P28T3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026915
ERPathway2016 ERPathway2016_1174 1-Undecanol 112-42-5 DTXSID0026915 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCO 1-Undecanol 112-42-5|1-Undecanol|1-Hendecanol|1-Hydroxyundecane|1-Undecyl alcohol|4-01-00-01835|Alcohol C-11|ALCOHOL C-11 (1-UNDECANOL)|BRN 1698334|C11 alcohol|Decyl carbinol|EINECS 203-970-5|Fatty alcohol(C11)|FEMA No. 3097|Hendecanoic alcohol|Hendecyl alcohol|n-Hendecylenic alcohol|n-Undecan-1-ol|n-Undecanol|n-Undecyl alcohol|NSC 403667|Tip-Nip|Undecan-1-ol|undecane-1-ol|undecanol|Undecyl alcohol|UNII-06MJ0P28T3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026915
ERPathway2016 ERPathway2016_1174 1-Undecanol 112-42-5 DTXSID0026915 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCO 1-Undecanol 112-42-5|1-Undecanol|1-Hendecanol|1-Hydroxyundecane|1-Undecyl alcohol|4-01-00-01835|Alcohol C-11|ALCOHOL C-11 (1-UNDECANOL)|BRN 1698334|C11 alcohol|Decyl carbinol|EINECS 203-970-5|Fatty alcohol(C11)|FEMA No. 3097|Hendecanoic alcohol|Hendecyl alcohol|n-Hendecylenic alcohol|n-Undecan-1-ol|n-Undecanol|n-Undecyl alcohol|NSC 403667|Tip-Nip|Undecan-1-ol|undecane-1-ol|undecanol|Undecyl alcohol|UNII-06MJ0P28T3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026915
ERPathway2016 ERPathway2016_1174 1-Undecanol 112-42-5 DTXSID0026915 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCO 1-Undecanol 112-42-5|1-Undecanol|1-Hendecanol|1-Hydroxyundecane|1-Undecyl alcohol|4-01-00-01835|Alcohol C-11|ALCOHOL C-11 (1-UNDECANOL)|BRN 1698334|C11 alcohol|Decyl carbinol|EINECS 203-970-5|Fatty alcohol(C11)|FEMA No. 3097|Hendecanoic alcohol|Hendecyl alcohol|n-Hendecylenic alcohol|n-Undecan-1-ol|n-Undecanol|n-Undecyl alcohol|NSC 403667|Tip-Nip|Undecan-1-ol|undecane-1-ol|undecanol|Undecyl alcohol|UNII-06MJ0P28T3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026915
ERPathway2016 ERPathway2016_1174 1-Undecanol 112-42-5 DTXSID0026915 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCO 1-Undecanol 112-42-5|1-Undecanol|1-Hendecanol|1-Hydroxyundecane|1-Undecyl alcohol|4-01-00-01835|Alcohol C-11|ALCOHOL C-11 (1-UNDECANOL)|BRN 1698334|C11 alcohol|Decyl carbinol|EINECS 203-970-5|Fatty alcohol(C11)|FEMA No. 3097|Hendecanoic alcohol|Hendecyl alcohol|n-Hendecylenic alcohol|n-Undecan-1-ol|n-Undecanol|n-Undecyl alcohol|NSC 403667|Tip-Nip|Undecan-1-ol|undecane-1-ol|undecanol|Undecyl alcohol|UNII-06MJ0P28T3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026915
ARPathway2016 ARPathway2016_674 2-((Dimethylamino)methyl)phenol 120-65-0 DTXSID3041293 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)CC1=CC=CC=C1O 2-((Dimethylamino)methyl)phenol 120-65-0|2-((Dimethylamino)methyl)phenol|(2-Hydroxybenzyl)dimethylamine|2-(Dimethylaminomethyl)phenol|alpha-(Dimethylamino)-o-cresol|EINECS 204-413-9|N,N-Dimethyl-2-hydroxybenzylamine|NSC 12220|o-(Dimethylaminomethyl)phenol|Phenol, 2-[(dimethylamino)methyl]- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041293
ARPathway2016 ARPathway2016_674 2-((Dimethylamino)methyl)phenol 120-65-0 DTXSID3041293 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)CC1=CC=CC=C1O 2-((Dimethylamino)methyl)phenol 120-65-0|2-((Dimethylamino)methyl)phenol|(2-Hydroxybenzyl)dimethylamine|2-(Dimethylaminomethyl)phenol|alpha-(Dimethylamino)-o-cresol|EINECS 204-413-9|N,N-Dimethyl-2-hydroxybenzylamine|NSC 12220|o-(Dimethylaminomethyl)phenol|Phenol, 2-[(dimethylamino)methyl]- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041293
ARPathway2016 ARPathway2016_674 2-((Dimethylamino)methyl)phenol 120-65-0 DTXSID3041293 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN(C)CC1=CC=CC=C1O 2-((Dimethylamino)methyl)phenol 120-65-0|2-((Dimethylamino)methyl)phenol|(2-Hydroxybenzyl)dimethylamine|2-(Dimethylaminomethyl)phenol|alpha-(Dimethylamino)-o-cresol|EINECS 204-413-9|N,N-Dimethyl-2-hydroxybenzylamine|NSC 12220|o-(Dimethylaminomethyl)phenol|Phenol, 2-[(dimethylamino)methyl]- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041293
ARPathway2016 ARPathway2016_674 2-((Dimethylamino)methyl)phenol 120-65-0 DTXSID3041293 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)CC1=CC=CC=C1O 2-((Dimethylamino)methyl)phenol 120-65-0|2-((Dimethylamino)methyl)phenol|(2-Hydroxybenzyl)dimethylamine|2-(Dimethylaminomethyl)phenol|alpha-(Dimethylamino)-o-cresol|EINECS 204-413-9|N,N-Dimethyl-2-hydroxybenzylamine|NSC 12220|o-(Dimethylaminomethyl)phenol|Phenol, 2-[(dimethylamino)methyl]- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041293
ERPathway2016 ERPathway2016_545 2-((Dimethylamino)methyl)phenol 120-65-0 DTXSID3041293 R8 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)CC1=CC=CC=C1O 2-((Dimethylamino)methyl)phenol 120-65-0|2-((Dimethylamino)methyl)phenol|(2-Hydroxybenzyl)dimethylamine|2-(Dimethylaminomethyl)phenol|alpha-(Dimethylamino)-o-cresol|EINECS 204-413-9|N,N-Dimethyl-2-hydroxybenzylamine|NSC 12220|o-(Dimethylaminomethyl)phenol|Phenol, 2-[(dimethylamino)methyl]- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041293
ERPathway2016 ERPathway2016_545 2-((Dimethylamino)methyl)phenol 120-65-0 DTXSID3041293 R8 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)CC1=CC=CC=C1O 2-((Dimethylamino)methyl)phenol 120-65-0|2-((Dimethylamino)methyl)phenol|(2-Hydroxybenzyl)dimethylamine|2-(Dimethylaminomethyl)phenol|alpha-(Dimethylamino)-o-cresol|EINECS 204-413-9|N,N-Dimethyl-2-hydroxybenzylamine|NSC 12220|o-(Dimethylaminomethyl)phenol|Phenol, 2-[(dimethylamino)methyl]- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041293
ERPathway2016 ERPathway2016_545 2-((Dimethylamino)methyl)phenol 120-65-0 DTXSID3041293 R8 ER Pathway Model, Agonist Call Inactive Unitless CN(C)CC1=CC=CC=C1O 2-((Dimethylamino)methyl)phenol 120-65-0|2-((Dimethylamino)methyl)phenol|(2-Hydroxybenzyl)dimethylamine|2-(Dimethylaminomethyl)phenol|alpha-(Dimethylamino)-o-cresol|EINECS 204-413-9|N,N-Dimethyl-2-hydroxybenzylamine|NSC 12220|o-(Dimethylaminomethyl)phenol|Phenol, 2-[(dimethylamino)methyl]- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041293
ERPathway2016 ERPathway2016_545 2-((Dimethylamino)methyl)phenol 120-65-0 DTXSID3041293 R8 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)CC1=CC=CC=C1O 2-((Dimethylamino)methyl)phenol 120-65-0|2-((Dimethylamino)methyl)phenol|(2-Hydroxybenzyl)dimethylamine|2-(Dimethylaminomethyl)phenol|alpha-(Dimethylamino)-o-cresol|EINECS 204-413-9|N,N-Dimethyl-2-hydroxybenzylamine|NSC 12220|o-(Dimethylaminomethyl)phenol|Phenol, 2-[(dimethylamino)methyl]- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041293
ARPathway2016 ARPathway2016_11 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0 DTXSID1046970 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 44.8963938104034 uM CC(C)C1=CC=CC(C(C)C)=C1N1C(=O)C2=C(C=C(O)C=C2)C1=O 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0|2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione|5HPP-33 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1046970
ARPathway2016 ARPathway2016_11 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0 DTXSID1046970 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 28.3355718061659 uM CC(C)C1=CC=CC(C(C)C)=C1N1C(=O)C2=C(C=C(O)C=C2)C1=O 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0|2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione|5HPP-33 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1046970
ARPathway2016 ARPathway2016_11 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0 DTXSID1046970 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.118 Unitless CC(C)C1=CC=CC(C(C)C)=C1N1C(=O)C2=C(C=C(O)C=C2)C1=O 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0|2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione|5HPP-33 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1046970
ARPathway2016 ARPathway2016_11 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0 DTXSID1046970 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CC=CC(C(C)C)=C1N1C(=O)C2=C(C=C(O)C=C2)C1=O 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0|2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione|5HPP-33 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1046970
ARPathway2016 ARPathway2016_11 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0 DTXSID1046970 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)C1=CC=CC(C(C)C)=C1N1C(=O)C2=C(C=C(O)C=C2)C1=O 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0|2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione|5HPP-33 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1046970
ARPathway2016 ARPathway2016_11 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0 DTXSID1046970 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC=CC(C(C)C)=C1N1C(=O)C2=C(C=C(O)C=C2)C1=O 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0|2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione|5HPP-33 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1046970
ERPathway2016 ERPathway2016_164 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0 DTXSID1046970 Agonist ER Pathway Model, Antagonist AC50 0.980092281955664 uM CC(C)C1=CC=CC(C(C)C)=C1N1C(=O)C2=C(C=C(O)C=C2)C1=O 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0|2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione|5HPP-33 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1046970
ERPathway2016 ERPathway2016_164 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0 DTXSID1046970 Agonist ER Pathway Model, Antagonist ACC 0.466914645867223 uM CC(C)C1=CC=CC(C(C)C)=C1N1C(=O)C2=C(C=C(O)C=C2)C1=O 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0|2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione|5HPP-33 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1046970
ERPathway2016 ERPathway2016_164 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0 DTXSID1046970 Agonist ER Pathway Model, Agonist Model Score 0.418 Unitless CC(C)C1=CC=CC(C(C)C)=C1N1C(=O)C2=C(C=C(O)C=C2)C1=O 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0|2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione|5HPP-33 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1046970
ERPathway2016 ERPathway2016_164 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0 DTXSID1046970 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC=CC(C(C)C)=C1N1C(=O)C2=C(C=C(O)C=C2)C1=O 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0|2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione|5HPP-33 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1046970
ERPathway2016 ERPathway2016_164 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0 DTXSID1046970 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC=CC(C(C)C)=C1N1C(=O)C2=C(C=C(O)C=C2)C1=O 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0|2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione|5HPP-33 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1046970
ERPathway2016 ERPathway2016_164 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0 DTXSID1046970 Agonist ER Pathway Model, Antagonist Call Active Unitless CC(C)C1=CC=CC(C(C)C)=C1N1C(=O)C2=C(C=C(O)C=C2)C1=O 2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione 105624-86-0|2-(2,6-Diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione|5HPP-33 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1046970
ARPathway2016 ARPathway2016_604 2-(2-Butoxyethoxy)ethanol 112-34-5 DTXSID8021519 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOCCOCCO 2-(2-Butoxyethoxy)ethanol 112-34-5|2-(2-Butoxyethoxy)ethanol|2-(2-butoxietoxi)etanol|2-(2-Butoxyethoxy) Ethanol|2-(2-n-Butoxyethoxy)ethanol|3,6-Dioxa-1-decanol|Bikanol B 2|BRN 1739225|Butadigol|Butoxy diethylene glycol|Butoxydiethylene glycol|Butoxyethoxyethanol|BUTYL CARBITOL|Butyl diglycol|Butyl Diglysolv|Butyl digol|Butyl dioxitol|Butyl Oxitol glycol ether|Butysenol 20|Butysenol 20P|Caswell No. 121B|Caswell No. 125H|Circuposit 4125|DECAN-1-OL, 3,6-DIOXA-|DIAETHYLENGLYKOL-MONOBUTYLAETHER|DIETHYLENE GLYCOL BUTYL ETHER|Diethylene glycol mono-n-butyl ether|Diethylene glycol monobutyl ether|DIETHYLENE GLYCOL MONOBUTYL ETHER BUTYL DIGOL|Diethylene glycol n-butyl ether|Diethylene gylcol monobutyl ether|Diglycol monobutyl ether|Dowanol DB|EINECS 203-961-6|Ektasolve DB|EPA Pesticide Chemical Code 011502|Ethanol, 2-(2-butoxyethoxy)|Ethanol, 2-(2-butoxyethoxy)-|Ethanol, 2,2'-oxybis-, monobutyl ether|Glycol ether DB|Hisolve DB|Jeffersol DB|n-Butyl carbitol|NSC 407762|O-Butyl diethylene glycol|Poly-Solv DB|UNII-9TB90IYC0E|210818-08-9|875421-79-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021519 https://doi.org/10.22427/NTP-DATA-DTXSID8021519
ARPathway2016 ARPathway2016_604 2-(2-Butoxyethoxy)ethanol 112-34-5 DTXSID8021519 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOCCOCCO 2-(2-Butoxyethoxy)ethanol 112-34-5|2-(2-Butoxyethoxy)ethanol|2-(2-butoxietoxi)etanol|2-(2-Butoxyethoxy) Ethanol|2-(2-n-Butoxyethoxy)ethanol|3,6-Dioxa-1-decanol|Bikanol B 2|BRN 1739225|Butadigol|Butoxy diethylene glycol|Butoxydiethylene glycol|Butoxyethoxyethanol|BUTYL CARBITOL|Butyl diglycol|Butyl Diglysolv|Butyl digol|Butyl dioxitol|Butyl Oxitol glycol ether|Butysenol 20|Butysenol 20P|Caswell No. 121B|Caswell No. 125H|Circuposit 4125|DECAN-1-OL, 3,6-DIOXA-|DIAETHYLENGLYKOL-MONOBUTYLAETHER|DIETHYLENE GLYCOL BUTYL ETHER|Diethylene glycol mono-n-butyl ether|Diethylene glycol monobutyl ether|DIETHYLENE GLYCOL MONOBUTYL ETHER BUTYL DIGOL|Diethylene glycol n-butyl ether|Diethylene gylcol monobutyl ether|Diglycol monobutyl ether|Dowanol DB|EINECS 203-961-6|Ektasolve DB|EPA Pesticide Chemical Code 011502|Ethanol, 2-(2-butoxyethoxy)|Ethanol, 2-(2-butoxyethoxy)-|Ethanol, 2,2'-oxybis-, monobutyl ether|Glycol ether DB|Hisolve DB|Jeffersol DB|n-Butyl carbitol|NSC 407762|O-Butyl diethylene glycol|Poly-Solv DB|UNII-9TB90IYC0E|210818-08-9|875421-79-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021519 https://doi.org/10.22427/NTP-DATA-DTXSID8021519
ARPathway2016 ARPathway2016_604 2-(2-Butoxyethoxy)ethanol 112-34-5 DTXSID8021519 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOCCOCCO 2-(2-Butoxyethoxy)ethanol 112-34-5|2-(2-Butoxyethoxy)ethanol|2-(2-butoxietoxi)etanol|2-(2-Butoxyethoxy) Ethanol|2-(2-n-Butoxyethoxy)ethanol|3,6-Dioxa-1-decanol|Bikanol B 2|BRN 1739225|Butadigol|Butoxy diethylene glycol|Butoxydiethylene glycol|Butoxyethoxyethanol|BUTYL CARBITOL|Butyl diglycol|Butyl Diglysolv|Butyl digol|Butyl dioxitol|Butyl Oxitol glycol ether|Butysenol 20|Butysenol 20P|Caswell No. 121B|Caswell No. 125H|Circuposit 4125|DECAN-1-OL, 3,6-DIOXA-|DIAETHYLENGLYKOL-MONOBUTYLAETHER|DIETHYLENE GLYCOL BUTYL ETHER|Diethylene glycol mono-n-butyl ether|Diethylene glycol monobutyl ether|DIETHYLENE GLYCOL MONOBUTYL ETHER BUTYL DIGOL|Diethylene glycol n-butyl ether|Diethylene gylcol monobutyl ether|Diglycol monobutyl ether|Dowanol DB|EINECS 203-961-6|Ektasolve DB|EPA Pesticide Chemical Code 011502|Ethanol, 2-(2-butoxyethoxy)|Ethanol, 2-(2-butoxyethoxy)-|Ethanol, 2,2'-oxybis-, monobutyl ether|Glycol ether DB|Hisolve DB|Jeffersol DB|n-Butyl carbitol|NSC 407762|O-Butyl diethylene glycol|Poly-Solv DB|UNII-9TB90IYC0E|210818-08-9|875421-79-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021519 https://doi.org/10.22427/NTP-DATA-DTXSID8021519
ARPathway2016 ARPathway2016_604 2-(2-Butoxyethoxy)ethanol 112-34-5 DTXSID8021519 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOCCOCCO 2-(2-Butoxyethoxy)ethanol 112-34-5|2-(2-Butoxyethoxy)ethanol|2-(2-butoxietoxi)etanol|2-(2-Butoxyethoxy) Ethanol|2-(2-n-Butoxyethoxy)ethanol|3,6-Dioxa-1-decanol|Bikanol B 2|BRN 1739225|Butadigol|Butoxy diethylene glycol|Butoxydiethylene glycol|Butoxyethoxyethanol|BUTYL CARBITOL|Butyl diglycol|Butyl Diglysolv|Butyl digol|Butyl dioxitol|Butyl Oxitol glycol ether|Butysenol 20|Butysenol 20P|Caswell No. 121B|Caswell No. 125H|Circuposit 4125|DECAN-1-OL, 3,6-DIOXA-|DIAETHYLENGLYKOL-MONOBUTYLAETHER|DIETHYLENE GLYCOL BUTYL ETHER|Diethylene glycol mono-n-butyl ether|Diethylene glycol monobutyl ether|DIETHYLENE GLYCOL MONOBUTYL ETHER BUTYL DIGOL|Diethylene glycol n-butyl ether|Diethylene gylcol monobutyl ether|Diglycol monobutyl ether|Dowanol DB|EINECS 203-961-6|Ektasolve DB|EPA Pesticide Chemical Code 011502|Ethanol, 2-(2-butoxyethoxy)|Ethanol, 2-(2-butoxyethoxy)-|Ethanol, 2,2'-oxybis-, monobutyl ether|Glycol ether DB|Hisolve DB|Jeffersol DB|n-Butyl carbitol|NSC 407762|O-Butyl diethylene glycol|Poly-Solv DB|UNII-9TB90IYC0E|210818-08-9|875421-79-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021519 https://doi.org/10.22427/NTP-DATA-DTXSID8021519
ERPathway2016 ERPathway2016_1172 2-(2-Butoxyethoxy)ethanol 112-34-5 DTXSID8021519 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOCCOCCO 2-(2-Butoxyethoxy)ethanol 112-34-5|2-(2-Butoxyethoxy)ethanol|2-(2-butoxietoxi)etanol|2-(2-Butoxyethoxy) Ethanol|2-(2-n-Butoxyethoxy)ethanol|3,6-Dioxa-1-decanol|Bikanol B 2|BRN 1739225|Butadigol|Butoxy diethylene glycol|Butoxydiethylene glycol|Butoxyethoxyethanol|BUTYL CARBITOL|Butyl diglycol|Butyl Diglysolv|Butyl digol|Butyl dioxitol|Butyl Oxitol glycol ether|Butysenol 20|Butysenol 20P|Caswell No. 121B|Caswell No. 125H|Circuposit 4125|DECAN-1-OL, 3,6-DIOXA-|DIAETHYLENGLYKOL-MONOBUTYLAETHER|DIETHYLENE GLYCOL BUTYL ETHER|Diethylene glycol mono-n-butyl ether|Diethylene glycol monobutyl ether|DIETHYLENE GLYCOL MONOBUTYL ETHER BUTYL DIGOL|Diethylene glycol n-butyl ether|Diethylene gylcol monobutyl ether|Diglycol monobutyl ether|Dowanol DB|EINECS 203-961-6|Ektasolve DB|EPA Pesticide Chemical Code 011502|Ethanol, 2-(2-butoxyethoxy)|Ethanol, 2-(2-butoxyethoxy)-|Ethanol, 2,2'-oxybis-, monobutyl ether|Glycol ether DB|Hisolve DB|Jeffersol DB|n-Butyl carbitol|NSC 407762|O-Butyl diethylene glycol|Poly-Solv DB|UNII-9TB90IYC0E|210818-08-9|875421-79-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021519 https://doi.org/10.22427/NTP-DATA-DTXSID8021519
ERPathway2016 ERPathway2016_1172 2-(2-Butoxyethoxy)ethanol 112-34-5 DTXSID8021519 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOCCOCCO 2-(2-Butoxyethoxy)ethanol 112-34-5|2-(2-Butoxyethoxy)ethanol|2-(2-butoxietoxi)etanol|2-(2-Butoxyethoxy) Ethanol|2-(2-n-Butoxyethoxy)ethanol|3,6-Dioxa-1-decanol|Bikanol B 2|BRN 1739225|Butadigol|Butoxy diethylene glycol|Butoxydiethylene glycol|Butoxyethoxyethanol|BUTYL CARBITOL|Butyl diglycol|Butyl Diglysolv|Butyl digol|Butyl dioxitol|Butyl Oxitol glycol ether|Butysenol 20|Butysenol 20P|Caswell No. 121B|Caswell No. 125H|Circuposit 4125|DECAN-1-OL, 3,6-DIOXA-|DIAETHYLENGLYKOL-MONOBUTYLAETHER|DIETHYLENE GLYCOL BUTYL ETHER|Diethylene glycol mono-n-butyl ether|Diethylene glycol monobutyl ether|DIETHYLENE GLYCOL MONOBUTYL ETHER BUTYL DIGOL|Diethylene glycol n-butyl ether|Diethylene gylcol monobutyl ether|Diglycol monobutyl ether|Dowanol DB|EINECS 203-961-6|Ektasolve DB|EPA Pesticide Chemical Code 011502|Ethanol, 2-(2-butoxyethoxy)|Ethanol, 2-(2-butoxyethoxy)-|Ethanol, 2,2'-oxybis-, monobutyl ether|Glycol ether DB|Hisolve DB|Jeffersol DB|n-Butyl carbitol|NSC 407762|O-Butyl diethylene glycol|Poly-Solv DB|UNII-9TB90IYC0E|210818-08-9|875421-79-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021519 https://doi.org/10.22427/NTP-DATA-DTXSID8021519
ERPathway2016 ERPathway2016_1172 2-(2-Butoxyethoxy)ethanol 112-34-5 DTXSID8021519 ER Pathway Model, Agonist Call Inactive Unitless CCCCOCCOCCO 2-(2-Butoxyethoxy)ethanol 112-34-5|2-(2-Butoxyethoxy)ethanol|2-(2-butoxietoxi)etanol|2-(2-Butoxyethoxy) Ethanol|2-(2-n-Butoxyethoxy)ethanol|3,6-Dioxa-1-decanol|Bikanol B 2|BRN 1739225|Butadigol|Butoxy diethylene glycol|Butoxydiethylene glycol|Butoxyethoxyethanol|BUTYL CARBITOL|Butyl diglycol|Butyl Diglysolv|Butyl digol|Butyl dioxitol|Butyl Oxitol glycol ether|Butysenol 20|Butysenol 20P|Caswell No. 121B|Caswell No. 125H|Circuposit 4125|DECAN-1-OL, 3,6-DIOXA-|DIAETHYLENGLYKOL-MONOBUTYLAETHER|DIETHYLENE GLYCOL BUTYL ETHER|Diethylene glycol mono-n-butyl ether|Diethylene glycol monobutyl ether|DIETHYLENE GLYCOL MONOBUTYL ETHER BUTYL DIGOL|Diethylene glycol n-butyl ether|Diethylene gylcol monobutyl ether|Diglycol monobutyl ether|Dowanol DB|EINECS 203-961-6|Ektasolve DB|EPA Pesticide Chemical Code 011502|Ethanol, 2-(2-butoxyethoxy)|Ethanol, 2-(2-butoxyethoxy)-|Ethanol, 2,2'-oxybis-, monobutyl ether|Glycol ether DB|Hisolve DB|Jeffersol DB|n-Butyl carbitol|NSC 407762|O-Butyl diethylene glycol|Poly-Solv DB|UNII-9TB90IYC0E|210818-08-9|875421-79-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021519 https://doi.org/10.22427/NTP-DATA-DTXSID8021519
ERPathway2016 ERPathway2016_1172 2-(2-Butoxyethoxy)ethanol 112-34-5 DTXSID8021519 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOCCOCCO 2-(2-Butoxyethoxy)ethanol 112-34-5|2-(2-Butoxyethoxy)ethanol|2-(2-butoxietoxi)etanol|2-(2-Butoxyethoxy) Ethanol|2-(2-n-Butoxyethoxy)ethanol|3,6-Dioxa-1-decanol|Bikanol B 2|BRN 1739225|Butadigol|Butoxy diethylene glycol|Butoxydiethylene glycol|Butoxyethoxyethanol|BUTYL CARBITOL|Butyl diglycol|Butyl Diglysolv|Butyl digol|Butyl dioxitol|Butyl Oxitol glycol ether|Butysenol 20|Butysenol 20P|Caswell No. 121B|Caswell No. 125H|Circuposit 4125|DECAN-1-OL, 3,6-DIOXA-|DIAETHYLENGLYKOL-MONOBUTYLAETHER|DIETHYLENE GLYCOL BUTYL ETHER|Diethylene glycol mono-n-butyl ether|Diethylene glycol monobutyl ether|DIETHYLENE GLYCOL MONOBUTYL ETHER BUTYL DIGOL|Diethylene glycol n-butyl ether|Diethylene gylcol monobutyl ether|Diglycol monobutyl ether|Dowanol DB|EINECS 203-961-6|Ektasolve DB|EPA Pesticide Chemical Code 011502|Ethanol, 2-(2-butoxyethoxy)|Ethanol, 2-(2-butoxyethoxy)-|Ethanol, 2,2'-oxybis-, monobutyl ether|Glycol ether DB|Hisolve DB|Jeffersol DB|n-Butyl carbitol|NSC 407762|O-Butyl diethylene glycol|Poly-Solv DB|UNII-9TB90IYC0E|210818-08-9|875421-79-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021519 https://doi.org/10.22427/NTP-DATA-DTXSID8021519
ARPathway2016 ARPathway2016_584 2-(2-Ethoxyethoxy)ethanol 111-90-0 DTXSID2021941 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOCCOCCO 2-(2-Ethoxyethoxy)ethanol 111-90-0|2-(2-Ethoxyethoxy)ethanol|1-Hydroxy-3,6-dioxaoctane|2-(2-Ethoxyethoxy) ethanol|2-(2-etoxietoxi)etanol|2-(2'-Ethoxyethoxy)ethanol|3,6-Dioxa-1-octanol|3,6-Dioxa-1-oktanol|Aethyldiaethylenglycol|BRN 1736441|Carbitol|Carbitol cellosolve|Carbitol solvent|Carbitol Solvent Low|DIAETHYLENGLYKOL-MONOAETHYLAETHER|DIETHYLENE GLYCOL ETHYL ETHER|Diethylene glycol monoethyl ether|Diethylene glycol monoethyl ethers|Diethyleneglycol monoethyl ether|Diglycol monoethyl ether|Dioxitol|Dowanol DE|EINECS 203-919-7|Ektasolve DE|Ethanol, 2-(2-ethoxyethoxy)-|Ethanol, 2-(b-ethoxyethoxy)-|Ethanol, 2,2'-oxybis-, monoethyl ether|Ethoxy diglycol|Ethoxydiglycol|ETHYL CARBITOL|Ethyl diethylene glycol|Ethyl Diglycol Dioxitol|Ethyl Diglysolv|Ethyl digol|Ethyldiethylene glycol|Ethylene diglycol monoethyl ether|Karbitol|Losungsmittel APV|Monoethyl ether of diethylene glycol|NSC 408451|O-Ethyl digol|OCTAN-1-OL, 3,6-DIOXA-|Poly-Solv DE|Seahosol DG|Shihozoru DG|Solvolsol|Transcutol|Transcutol CG|Transcutol HP|Transcutol P|Trivalin SF|UNII-A1A1I8X02B https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021941 https://doi.org/10.22427/NTP-DATA-DTXSID2021941
ARPathway2016 ARPathway2016_584 2-(2-Ethoxyethoxy)ethanol 111-90-0 DTXSID2021941 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOCCOCCO 2-(2-Ethoxyethoxy)ethanol 111-90-0|2-(2-Ethoxyethoxy)ethanol|1-Hydroxy-3,6-dioxaoctane|2-(2-Ethoxyethoxy) ethanol|2-(2-etoxietoxi)etanol|2-(2'-Ethoxyethoxy)ethanol|3,6-Dioxa-1-octanol|3,6-Dioxa-1-oktanol|Aethyldiaethylenglycol|BRN 1736441|Carbitol|Carbitol cellosolve|Carbitol solvent|Carbitol Solvent Low|DIAETHYLENGLYKOL-MONOAETHYLAETHER|DIETHYLENE GLYCOL ETHYL ETHER|Diethylene glycol monoethyl ether|Diethylene glycol monoethyl ethers|Diethyleneglycol monoethyl ether|Diglycol monoethyl ether|Dioxitol|Dowanol DE|EINECS 203-919-7|Ektasolve DE|Ethanol, 2-(2-ethoxyethoxy)-|Ethanol, 2-(b-ethoxyethoxy)-|Ethanol, 2,2'-oxybis-, monoethyl ether|Ethoxy diglycol|Ethoxydiglycol|ETHYL CARBITOL|Ethyl diethylene glycol|Ethyl Diglycol Dioxitol|Ethyl Diglysolv|Ethyl digol|Ethyldiethylene glycol|Ethylene diglycol monoethyl ether|Karbitol|Losungsmittel APV|Monoethyl ether of diethylene glycol|NSC 408451|O-Ethyl digol|OCTAN-1-OL, 3,6-DIOXA-|Poly-Solv DE|Seahosol DG|Shihozoru DG|Solvolsol|Transcutol|Transcutol CG|Transcutol HP|Transcutol P|Trivalin SF|UNII-A1A1I8X02B https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021941 https://doi.org/10.22427/NTP-DATA-DTXSID2021941
ARPathway2016 ARPathway2016_584 2-(2-Ethoxyethoxy)ethanol 111-90-0 DTXSID2021941 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOCCOCCO 2-(2-Ethoxyethoxy)ethanol 111-90-0|2-(2-Ethoxyethoxy)ethanol|1-Hydroxy-3,6-dioxaoctane|2-(2-Ethoxyethoxy) ethanol|2-(2-etoxietoxi)etanol|2-(2'-Ethoxyethoxy)ethanol|3,6-Dioxa-1-octanol|3,6-Dioxa-1-oktanol|Aethyldiaethylenglycol|BRN 1736441|Carbitol|Carbitol cellosolve|Carbitol solvent|Carbitol Solvent Low|DIAETHYLENGLYKOL-MONOAETHYLAETHER|DIETHYLENE GLYCOL ETHYL ETHER|Diethylene glycol monoethyl ether|Diethylene glycol monoethyl ethers|Diethyleneglycol monoethyl ether|Diglycol monoethyl ether|Dioxitol|Dowanol DE|EINECS 203-919-7|Ektasolve DE|Ethanol, 2-(2-ethoxyethoxy)-|Ethanol, 2-(b-ethoxyethoxy)-|Ethanol, 2,2'-oxybis-, monoethyl ether|Ethoxy diglycol|Ethoxydiglycol|ETHYL CARBITOL|Ethyl diethylene glycol|Ethyl Diglycol Dioxitol|Ethyl Diglysolv|Ethyl digol|Ethyldiethylene glycol|Ethylene diglycol monoethyl ether|Karbitol|Losungsmittel APV|Monoethyl ether of diethylene glycol|NSC 408451|O-Ethyl digol|OCTAN-1-OL, 3,6-DIOXA-|Poly-Solv DE|Seahosol DG|Shihozoru DG|Solvolsol|Transcutol|Transcutol CG|Transcutol HP|Transcutol P|Trivalin SF|UNII-A1A1I8X02B https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021941 https://doi.org/10.22427/NTP-DATA-DTXSID2021941
ARPathway2016 ARPathway2016_584 2-(2-Ethoxyethoxy)ethanol 111-90-0 DTXSID2021941 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOCCOCCO 2-(2-Ethoxyethoxy)ethanol 111-90-0|2-(2-Ethoxyethoxy)ethanol|1-Hydroxy-3,6-dioxaoctane|2-(2-Ethoxyethoxy) ethanol|2-(2-etoxietoxi)etanol|2-(2'-Ethoxyethoxy)ethanol|3,6-Dioxa-1-octanol|3,6-Dioxa-1-oktanol|Aethyldiaethylenglycol|BRN 1736441|Carbitol|Carbitol cellosolve|Carbitol solvent|Carbitol Solvent Low|DIAETHYLENGLYKOL-MONOAETHYLAETHER|DIETHYLENE GLYCOL ETHYL ETHER|Diethylene glycol monoethyl ether|Diethylene glycol monoethyl ethers|Diethyleneglycol monoethyl ether|Diglycol monoethyl ether|Dioxitol|Dowanol DE|EINECS 203-919-7|Ektasolve DE|Ethanol, 2-(2-ethoxyethoxy)-|Ethanol, 2-(b-ethoxyethoxy)-|Ethanol, 2,2'-oxybis-, monoethyl ether|Ethoxy diglycol|Ethoxydiglycol|ETHYL CARBITOL|Ethyl diethylene glycol|Ethyl Diglycol Dioxitol|Ethyl Diglysolv|Ethyl digol|Ethyldiethylene glycol|Ethylene diglycol monoethyl ether|Karbitol|Losungsmittel APV|Monoethyl ether of diethylene glycol|NSC 408451|O-Ethyl digol|OCTAN-1-OL, 3,6-DIOXA-|Poly-Solv DE|Seahosol DG|Shihozoru DG|Solvolsol|Transcutol|Transcutol CG|Transcutol HP|Transcutol P|Trivalin SF|UNII-A1A1I8X02B https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021941 https://doi.org/10.22427/NTP-DATA-DTXSID2021941
ERPathway2016 ERPathway2016_1161 2-(2-Ethoxyethoxy)ethanol 111-90-0 DTXSID2021941 ER Pathway Model, Agonist Model Score 0 Unitless CCOCCOCCO 2-(2-Ethoxyethoxy)ethanol 111-90-0|2-(2-Ethoxyethoxy)ethanol|1-Hydroxy-3,6-dioxaoctane|2-(2-Ethoxyethoxy) ethanol|2-(2-etoxietoxi)etanol|2-(2'-Ethoxyethoxy)ethanol|3,6-Dioxa-1-octanol|3,6-Dioxa-1-oktanol|Aethyldiaethylenglycol|BRN 1736441|Carbitol|Carbitol cellosolve|Carbitol solvent|Carbitol Solvent Low|DIAETHYLENGLYKOL-MONOAETHYLAETHER|DIETHYLENE GLYCOL ETHYL ETHER|Diethylene glycol monoethyl ether|Diethylene glycol monoethyl ethers|Diethyleneglycol monoethyl ether|Diglycol monoethyl ether|Dioxitol|Dowanol DE|EINECS 203-919-7|Ektasolve DE|Ethanol, 2-(2-ethoxyethoxy)-|Ethanol, 2-(b-ethoxyethoxy)-|Ethanol, 2,2'-oxybis-, monoethyl ether|Ethoxy diglycol|Ethoxydiglycol|ETHYL CARBITOL|Ethyl diethylene glycol|Ethyl Diglycol Dioxitol|Ethyl Diglysolv|Ethyl digol|Ethyldiethylene glycol|Ethylene diglycol monoethyl ether|Karbitol|Losungsmittel APV|Monoethyl ether of diethylene glycol|NSC 408451|O-Ethyl digol|OCTAN-1-OL, 3,6-DIOXA-|Poly-Solv DE|Seahosol DG|Shihozoru DG|Solvolsol|Transcutol|Transcutol CG|Transcutol HP|Transcutol P|Trivalin SF|UNII-A1A1I8X02B https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021941 https://doi.org/10.22427/NTP-DATA-DTXSID2021941
ERPathway2016 ERPathway2016_1161 2-(2-Ethoxyethoxy)ethanol 111-90-0 DTXSID2021941 ER Pathway Model, Antagonist Model Score 0 Unitless CCOCCOCCO 2-(2-Ethoxyethoxy)ethanol 111-90-0|2-(2-Ethoxyethoxy)ethanol|1-Hydroxy-3,6-dioxaoctane|2-(2-Ethoxyethoxy) ethanol|2-(2-etoxietoxi)etanol|2-(2'-Ethoxyethoxy)ethanol|3,6-Dioxa-1-octanol|3,6-Dioxa-1-oktanol|Aethyldiaethylenglycol|BRN 1736441|Carbitol|Carbitol cellosolve|Carbitol solvent|Carbitol Solvent Low|DIAETHYLENGLYKOL-MONOAETHYLAETHER|DIETHYLENE GLYCOL ETHYL ETHER|Diethylene glycol monoethyl ether|Diethylene glycol monoethyl ethers|Diethyleneglycol monoethyl ether|Diglycol monoethyl ether|Dioxitol|Dowanol DE|EINECS 203-919-7|Ektasolve DE|Ethanol, 2-(2-ethoxyethoxy)-|Ethanol, 2-(b-ethoxyethoxy)-|Ethanol, 2,2'-oxybis-, monoethyl ether|Ethoxy diglycol|Ethoxydiglycol|ETHYL CARBITOL|Ethyl diethylene glycol|Ethyl Diglycol Dioxitol|Ethyl Diglysolv|Ethyl digol|Ethyldiethylene glycol|Ethylene diglycol monoethyl ether|Karbitol|Losungsmittel APV|Monoethyl ether of diethylene glycol|NSC 408451|O-Ethyl digol|OCTAN-1-OL, 3,6-DIOXA-|Poly-Solv DE|Seahosol DG|Shihozoru DG|Solvolsol|Transcutol|Transcutol CG|Transcutol HP|Transcutol P|Trivalin SF|UNII-A1A1I8X02B https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021941 https://doi.org/10.22427/NTP-DATA-DTXSID2021941
ERPathway2016 ERPathway2016_1161 2-(2-Ethoxyethoxy)ethanol 111-90-0 DTXSID2021941 ER Pathway Model, Agonist Call Inactive Unitless CCOCCOCCO 2-(2-Ethoxyethoxy)ethanol 111-90-0|2-(2-Ethoxyethoxy)ethanol|1-Hydroxy-3,6-dioxaoctane|2-(2-Ethoxyethoxy) ethanol|2-(2-etoxietoxi)etanol|2-(2'-Ethoxyethoxy)ethanol|3,6-Dioxa-1-octanol|3,6-Dioxa-1-oktanol|Aethyldiaethylenglycol|BRN 1736441|Carbitol|Carbitol cellosolve|Carbitol solvent|Carbitol Solvent Low|DIAETHYLENGLYKOL-MONOAETHYLAETHER|DIETHYLENE GLYCOL ETHYL ETHER|Diethylene glycol monoethyl ether|Diethylene glycol monoethyl ethers|Diethyleneglycol monoethyl ether|Diglycol monoethyl ether|Dioxitol|Dowanol DE|EINECS 203-919-7|Ektasolve DE|Ethanol, 2-(2-ethoxyethoxy)-|Ethanol, 2-(b-ethoxyethoxy)-|Ethanol, 2,2'-oxybis-, monoethyl ether|Ethoxy diglycol|Ethoxydiglycol|ETHYL CARBITOL|Ethyl diethylene glycol|Ethyl Diglycol Dioxitol|Ethyl Diglysolv|Ethyl digol|Ethyldiethylene glycol|Ethylene diglycol monoethyl ether|Karbitol|Losungsmittel APV|Monoethyl ether of diethylene glycol|NSC 408451|O-Ethyl digol|OCTAN-1-OL, 3,6-DIOXA-|Poly-Solv DE|Seahosol DG|Shihozoru DG|Solvolsol|Transcutol|Transcutol CG|Transcutol HP|Transcutol P|Trivalin SF|UNII-A1A1I8X02B https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021941 https://doi.org/10.22427/NTP-DATA-DTXSID2021941
ERPathway2016 ERPathway2016_1161 2-(2-Ethoxyethoxy)ethanol 111-90-0 DTXSID2021941 ER Pathway Model, Antagonist Call Inactive Unitless CCOCCOCCO 2-(2-Ethoxyethoxy)ethanol 111-90-0|2-(2-Ethoxyethoxy)ethanol|1-Hydroxy-3,6-dioxaoctane|2-(2-Ethoxyethoxy) ethanol|2-(2-etoxietoxi)etanol|2-(2'-Ethoxyethoxy)ethanol|3,6-Dioxa-1-octanol|3,6-Dioxa-1-oktanol|Aethyldiaethylenglycol|BRN 1736441|Carbitol|Carbitol cellosolve|Carbitol solvent|Carbitol Solvent Low|DIAETHYLENGLYKOL-MONOAETHYLAETHER|DIETHYLENE GLYCOL ETHYL ETHER|Diethylene glycol monoethyl ether|Diethylene glycol monoethyl ethers|Diethyleneglycol monoethyl ether|Diglycol monoethyl ether|Dioxitol|Dowanol DE|EINECS 203-919-7|Ektasolve DE|Ethanol, 2-(2-ethoxyethoxy)-|Ethanol, 2-(b-ethoxyethoxy)-|Ethanol, 2,2'-oxybis-, monoethyl ether|Ethoxy diglycol|Ethoxydiglycol|ETHYL CARBITOL|Ethyl diethylene glycol|Ethyl Diglycol Dioxitol|Ethyl Diglysolv|Ethyl digol|Ethyldiethylene glycol|Ethylene diglycol monoethyl ether|Karbitol|Losungsmittel APV|Monoethyl ether of diethylene glycol|NSC 408451|O-Ethyl digol|OCTAN-1-OL, 3,6-DIOXA-|Poly-Solv DE|Seahosol DG|Shihozoru DG|Solvolsol|Transcutol|Transcutol CG|Transcutol HP|Transcutol P|Trivalin SF|UNII-A1A1I8X02B https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021941 https://doi.org/10.22427/NTP-DATA-DTXSID2021941
ARPathway2016 ARPathway2016_895 2-(2-Ethylhexyloxy)ethanol 1559-35-9 DTXSID1041920 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COCCO 2-(2-Ethylhexyloxy)ethanol 1559-35-9|2-(2-Ethylhexyloxy)ethanol|BRN 2203244|EINECS 216-323-7|Ethanol, 2-[(2-ethylhexyl)oxy]-|Ethylene glycol, mono(2-ethylhexyl) ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041920
ARPathway2016 ARPathway2016_895 2-(2-Ethylhexyloxy)ethanol 1559-35-9 DTXSID1041920 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COCCO 2-(2-Ethylhexyloxy)ethanol 1559-35-9|2-(2-Ethylhexyloxy)ethanol|BRN 2203244|EINECS 216-323-7|Ethanol, 2-[(2-ethylhexyl)oxy]-|Ethylene glycol, mono(2-ethylhexyl) ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041920
ARPathway2016 ARPathway2016_895 2-(2-Ethylhexyloxy)ethanol 1559-35-9 DTXSID1041920 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COCCO 2-(2-Ethylhexyloxy)ethanol 1559-35-9|2-(2-Ethylhexyloxy)ethanol|BRN 2203244|EINECS 216-323-7|Ethanol, 2-[(2-ethylhexyl)oxy]-|Ethylene glycol, mono(2-ethylhexyl) ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041920
ARPathway2016 ARPathway2016_895 2-(2-Ethylhexyloxy)ethanol 1559-35-9 DTXSID1041920 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COCCO 2-(2-Ethylhexyloxy)ethanol 1559-35-9|2-(2-Ethylhexyloxy)ethanol|BRN 2203244|EINECS 216-323-7|Ethanol, 2-[(2-ethylhexyl)oxy]-|Ethylene glycol, mono(2-ethylhexyl) ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041920
ERPathway2016 ERPathway2016_489 2-(2-Ethylhexyloxy)ethanol 1559-35-9 DTXSID1041920 R6 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COCCO 2-(2-Ethylhexyloxy)ethanol 1559-35-9|2-(2-Ethylhexyloxy)ethanol|BRN 2203244|EINECS 216-323-7|Ethanol, 2-[(2-ethylhexyl)oxy]-|Ethylene glycol, mono(2-ethylhexyl) ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041920
ERPathway2016 ERPathway2016_489 2-(2-Ethylhexyloxy)ethanol 1559-35-9 DTXSID1041920 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COCCO 2-(2-Ethylhexyloxy)ethanol 1559-35-9|2-(2-Ethylhexyloxy)ethanol|BRN 2203244|EINECS 216-323-7|Ethanol, 2-[(2-ethylhexyl)oxy]-|Ethylene glycol, mono(2-ethylhexyl) ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041920
ERPathway2016 ERPathway2016_489 2-(2-Ethylhexyloxy)ethanol 1559-35-9 DTXSID1041920 R6 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COCCO 2-(2-Ethylhexyloxy)ethanol 1559-35-9|2-(2-Ethylhexyloxy)ethanol|BRN 2203244|EINECS 216-323-7|Ethanol, 2-[(2-ethylhexyl)oxy]-|Ethylene glycol, mono(2-ethylhexyl) ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041920
ERPathway2016 ERPathway2016_489 2-(2-Ethylhexyloxy)ethanol 1559-35-9 DTXSID1041920 R6 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COCCO 2-(2-Ethylhexyloxy)ethanol 1559-35-9|2-(2-Ethylhexyloxy)ethanol|BRN 2203244|EINECS 216-323-7|Ethanol, 2-[(2-ethylhexyl)oxy]-|Ethylene glycol, mono(2-ethylhexyl) ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041920
ARPathway2016 ARPathway2016_1036 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4 DTXSID1027479 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4|2-(2H-Benzotriazol-2-yl)-4-methylphenol|2-(2-Hydroxy-5-methylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-methylphenyl)benzotriazole|2-(2'-HYDROXY-5'-METHYL-PHENYL)-BENZOTRIAZOL|2-(2'-Hydroxy-5'-methylphenyl)benzotriazole|2-(2H-benzotriazol-2-il)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-kresol|2-(2H-benzotriazole-2-yl)-p-cresol|2-(5-Methyl-2-hydroxyphenyl)benzotriazole|2-(5'-Methyl-2'-hydroxyphenyl)benzotriazole|2-Benzotriazol-2-yl-4-methylphenol|2-BENZOTRIAZOLYL-4-METHYLPHENOL|ADK Stab LA 32|ADK-ARKLS DN 13|Benazol II|Benazol P|BENZOTRIAZOLE, 2-(2'-HYDROXY-5'-METHYL-PHENYL)-|BRN 0615546|Dainsorb T 1|Drometrizol|Drometrizole|Drometrizolum|EINECS 219-470-5|Eversorb 71|Kemisorb 71|Lowilite 55|NSC 91885|p-Cresol, 2-(2H-benzotriazol-2-yl)-|Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-|PHENOL,2-(2H-BENZOTRIAZOL-2-YL)-4-METHYL|Porex P|Seesorb 701|Seikalizer AZ|Sumisorb 200|Tinuvin P|UNII-5X93W9OFZL|UV Absorber 1|UV absorber-1|UV-P|Uvasorb SV|Uvinul 3033P|Viosorb 520|106085-67-0|114921-82-3|1244977-92-1|134018-55-6|136567-91-4|141602-58-6|159520-35-1|169340-52-7|183681-64-3|189377-86-4|195740-58-0|2353514-71-1|50815-99-1|796971-93-2|908100-86-7|909728-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027479 https://doi.org/10.22427/NTP-DATA-DTXSID1027479
ARPathway2016 ARPathway2016_1036 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4 DTXSID1027479 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4|2-(2H-Benzotriazol-2-yl)-4-methylphenol|2-(2-Hydroxy-5-methylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-methylphenyl)benzotriazole|2-(2'-HYDROXY-5'-METHYL-PHENYL)-BENZOTRIAZOL|2-(2'-Hydroxy-5'-methylphenyl)benzotriazole|2-(2H-benzotriazol-2-il)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-kresol|2-(2H-benzotriazole-2-yl)-p-cresol|2-(5-Methyl-2-hydroxyphenyl)benzotriazole|2-(5'-Methyl-2'-hydroxyphenyl)benzotriazole|2-Benzotriazol-2-yl-4-methylphenol|2-BENZOTRIAZOLYL-4-METHYLPHENOL|ADK Stab LA 32|ADK-ARKLS DN 13|Benazol II|Benazol P|BENZOTRIAZOLE, 2-(2'-HYDROXY-5'-METHYL-PHENYL)-|BRN 0615546|Dainsorb T 1|Drometrizol|Drometrizole|Drometrizolum|EINECS 219-470-5|Eversorb 71|Kemisorb 71|Lowilite 55|NSC 91885|p-Cresol, 2-(2H-benzotriazol-2-yl)-|Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-|PHENOL,2-(2H-BENZOTRIAZOL-2-YL)-4-METHYL|Porex P|Seesorb 701|Seikalizer AZ|Sumisorb 200|Tinuvin P|UNII-5X93W9OFZL|UV Absorber 1|UV absorber-1|UV-P|Uvasorb SV|Uvinul 3033P|Viosorb 520|106085-67-0|114921-82-3|1244977-92-1|134018-55-6|136567-91-4|141602-58-6|159520-35-1|169340-52-7|183681-64-3|189377-86-4|195740-58-0|2353514-71-1|50815-99-1|796971-93-2|908100-86-7|909728-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027479 https://doi.org/10.22427/NTP-DATA-DTXSID1027479
ARPathway2016 ARPathway2016_1036 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4 DTXSID1027479 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4|2-(2H-Benzotriazol-2-yl)-4-methylphenol|2-(2-Hydroxy-5-methylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-methylphenyl)benzotriazole|2-(2'-HYDROXY-5'-METHYL-PHENYL)-BENZOTRIAZOL|2-(2'-Hydroxy-5'-methylphenyl)benzotriazole|2-(2H-benzotriazol-2-il)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-kresol|2-(2H-benzotriazole-2-yl)-p-cresol|2-(5-Methyl-2-hydroxyphenyl)benzotriazole|2-(5'-Methyl-2'-hydroxyphenyl)benzotriazole|2-Benzotriazol-2-yl-4-methylphenol|2-BENZOTRIAZOLYL-4-METHYLPHENOL|ADK Stab LA 32|ADK-ARKLS DN 13|Benazol II|Benazol P|BENZOTRIAZOLE, 2-(2'-HYDROXY-5'-METHYL-PHENYL)-|BRN 0615546|Dainsorb T 1|Drometrizol|Drometrizole|Drometrizolum|EINECS 219-470-5|Eversorb 71|Kemisorb 71|Lowilite 55|NSC 91885|p-Cresol, 2-(2H-benzotriazol-2-yl)-|Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-|PHENOL,2-(2H-BENZOTRIAZOL-2-YL)-4-METHYL|Porex P|Seesorb 701|Seikalizer AZ|Sumisorb 200|Tinuvin P|UNII-5X93W9OFZL|UV Absorber 1|UV absorber-1|UV-P|Uvasorb SV|Uvinul 3033P|Viosorb 520|106085-67-0|114921-82-3|1244977-92-1|134018-55-6|136567-91-4|141602-58-6|159520-35-1|169340-52-7|183681-64-3|189377-86-4|195740-58-0|2353514-71-1|50815-99-1|796971-93-2|908100-86-7|909728-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027479 https://doi.org/10.22427/NTP-DATA-DTXSID1027479
ARPathway2016 ARPathway2016_1036 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4 DTXSID1027479 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4|2-(2H-Benzotriazol-2-yl)-4-methylphenol|2-(2-Hydroxy-5-methylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-methylphenyl)benzotriazole|2-(2'-HYDROXY-5'-METHYL-PHENYL)-BENZOTRIAZOL|2-(2'-Hydroxy-5'-methylphenyl)benzotriazole|2-(2H-benzotriazol-2-il)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-kresol|2-(2H-benzotriazole-2-yl)-p-cresol|2-(5-Methyl-2-hydroxyphenyl)benzotriazole|2-(5'-Methyl-2'-hydroxyphenyl)benzotriazole|2-Benzotriazol-2-yl-4-methylphenol|2-BENZOTRIAZOLYL-4-METHYLPHENOL|ADK Stab LA 32|ADK-ARKLS DN 13|Benazol II|Benazol P|BENZOTRIAZOLE, 2-(2'-HYDROXY-5'-METHYL-PHENYL)-|BRN 0615546|Dainsorb T 1|Drometrizol|Drometrizole|Drometrizolum|EINECS 219-470-5|Eversorb 71|Kemisorb 71|Lowilite 55|NSC 91885|p-Cresol, 2-(2H-benzotriazol-2-yl)-|Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-|PHENOL,2-(2H-BENZOTRIAZOL-2-YL)-4-METHYL|Porex P|Seesorb 701|Seikalizer AZ|Sumisorb 200|Tinuvin P|UNII-5X93W9OFZL|UV Absorber 1|UV absorber-1|UV-P|Uvasorb SV|Uvinul 3033P|Viosorb 520|106085-67-0|114921-82-3|1244977-92-1|134018-55-6|136567-91-4|141602-58-6|159520-35-1|169340-52-7|183681-64-3|189377-86-4|195740-58-0|2353514-71-1|50815-99-1|796971-93-2|908100-86-7|909728-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027479 https://doi.org/10.22427/NTP-DATA-DTXSID1027479
ERPathway2016 ERPathway2016_246 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4 DTXSID1027479 ER Pathway Model, Antagonist AC50 8.70052633809247 uM CC1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4|2-(2H-Benzotriazol-2-yl)-4-methylphenol|2-(2-Hydroxy-5-methylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-methylphenyl)benzotriazole|2-(2'-HYDROXY-5'-METHYL-PHENYL)-BENZOTRIAZOL|2-(2'-Hydroxy-5'-methylphenyl)benzotriazole|2-(2H-benzotriazol-2-il)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-kresol|2-(2H-benzotriazole-2-yl)-p-cresol|2-(5-Methyl-2-hydroxyphenyl)benzotriazole|2-(5'-Methyl-2'-hydroxyphenyl)benzotriazole|2-Benzotriazol-2-yl-4-methylphenol|2-BENZOTRIAZOLYL-4-METHYLPHENOL|ADK Stab LA 32|ADK-ARKLS DN 13|Benazol II|Benazol P|BENZOTRIAZOLE, 2-(2'-HYDROXY-5'-METHYL-PHENYL)-|BRN 0615546|Dainsorb T 1|Drometrizol|Drometrizole|Drometrizolum|EINECS 219-470-5|Eversorb 71|Kemisorb 71|Lowilite 55|NSC 91885|p-Cresol, 2-(2H-benzotriazol-2-yl)-|Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-|PHENOL,2-(2H-BENZOTRIAZOL-2-YL)-4-METHYL|Porex P|Seesorb 701|Seikalizer AZ|Sumisorb 200|Tinuvin P|UNII-5X93W9OFZL|UV Absorber 1|UV absorber-1|UV-P|Uvasorb SV|Uvinul 3033P|Viosorb 520|106085-67-0|114921-82-3|1244977-92-1|134018-55-6|136567-91-4|141602-58-6|159520-35-1|169340-52-7|183681-64-3|189377-86-4|195740-58-0|2353514-71-1|50815-99-1|796971-93-2|908100-86-7|909728-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027479 https://doi.org/10.22427/NTP-DATA-DTXSID1027479
ERPathway2016 ERPathway2016_246 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4 DTXSID1027479 ER Pathway Model, Antagonist ACC 2.31681441971436 uM CC1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4|2-(2H-Benzotriazol-2-yl)-4-methylphenol|2-(2-Hydroxy-5-methylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-methylphenyl)benzotriazole|2-(2'-HYDROXY-5'-METHYL-PHENYL)-BENZOTRIAZOL|2-(2'-Hydroxy-5'-methylphenyl)benzotriazole|2-(2H-benzotriazol-2-il)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-kresol|2-(2H-benzotriazole-2-yl)-p-cresol|2-(5-Methyl-2-hydroxyphenyl)benzotriazole|2-(5'-Methyl-2'-hydroxyphenyl)benzotriazole|2-Benzotriazol-2-yl-4-methylphenol|2-BENZOTRIAZOLYL-4-METHYLPHENOL|ADK Stab LA 32|ADK-ARKLS DN 13|Benazol II|Benazol P|BENZOTRIAZOLE, 2-(2'-HYDROXY-5'-METHYL-PHENYL)-|BRN 0615546|Dainsorb T 1|Drometrizol|Drometrizole|Drometrizolum|EINECS 219-470-5|Eversorb 71|Kemisorb 71|Lowilite 55|NSC 91885|p-Cresol, 2-(2H-benzotriazol-2-yl)-|Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-|PHENOL,2-(2H-BENZOTRIAZOL-2-YL)-4-METHYL|Porex P|Seesorb 701|Seikalizer AZ|Sumisorb 200|Tinuvin P|UNII-5X93W9OFZL|UV Absorber 1|UV absorber-1|UV-P|Uvasorb SV|Uvinul 3033P|Viosorb 520|106085-67-0|114921-82-3|1244977-92-1|134018-55-6|136567-91-4|141602-58-6|159520-35-1|169340-52-7|183681-64-3|189377-86-4|195740-58-0|2353514-71-1|50815-99-1|796971-93-2|908100-86-7|909728-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027479 https://doi.org/10.22427/NTP-DATA-DTXSID1027479
ERPathway2016 ERPathway2016_246 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4 DTXSID1027479 ER Pathway Model, Agonist Model Score 0.0875 Unitless CC1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4|2-(2H-Benzotriazol-2-yl)-4-methylphenol|2-(2-Hydroxy-5-methylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-methylphenyl)benzotriazole|2-(2'-HYDROXY-5'-METHYL-PHENYL)-BENZOTRIAZOL|2-(2'-Hydroxy-5'-methylphenyl)benzotriazole|2-(2H-benzotriazol-2-il)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-kresol|2-(2H-benzotriazole-2-yl)-p-cresol|2-(5-Methyl-2-hydroxyphenyl)benzotriazole|2-(5'-Methyl-2'-hydroxyphenyl)benzotriazole|2-Benzotriazol-2-yl-4-methylphenol|2-BENZOTRIAZOLYL-4-METHYLPHENOL|ADK Stab LA 32|ADK-ARKLS DN 13|Benazol II|Benazol P|BENZOTRIAZOLE, 2-(2'-HYDROXY-5'-METHYL-PHENYL)-|BRN 0615546|Dainsorb T 1|Drometrizol|Drometrizole|Drometrizolum|EINECS 219-470-5|Eversorb 71|Kemisorb 71|Lowilite 55|NSC 91885|p-Cresol, 2-(2H-benzotriazol-2-yl)-|Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-|PHENOL,2-(2H-BENZOTRIAZOL-2-YL)-4-METHYL|Porex P|Seesorb 701|Seikalizer AZ|Sumisorb 200|Tinuvin P|UNII-5X93W9OFZL|UV Absorber 1|UV absorber-1|UV-P|Uvasorb SV|Uvinul 3033P|Viosorb 520|106085-67-0|114921-82-3|1244977-92-1|134018-55-6|136567-91-4|141602-58-6|159520-35-1|169340-52-7|183681-64-3|189377-86-4|195740-58-0|2353514-71-1|50815-99-1|796971-93-2|908100-86-7|909728-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027479 https://doi.org/10.22427/NTP-DATA-DTXSID1027479
ERPathway2016 ERPathway2016_246 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4 DTXSID1027479 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4|2-(2H-Benzotriazol-2-yl)-4-methylphenol|2-(2-Hydroxy-5-methylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-methylphenyl)benzotriazole|2-(2'-HYDROXY-5'-METHYL-PHENYL)-BENZOTRIAZOL|2-(2'-Hydroxy-5'-methylphenyl)benzotriazole|2-(2H-benzotriazol-2-il)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-kresol|2-(2H-benzotriazole-2-yl)-p-cresol|2-(5-Methyl-2-hydroxyphenyl)benzotriazole|2-(5'-Methyl-2'-hydroxyphenyl)benzotriazole|2-Benzotriazol-2-yl-4-methylphenol|2-BENZOTRIAZOLYL-4-METHYLPHENOL|ADK Stab LA 32|ADK-ARKLS DN 13|Benazol II|Benazol P|BENZOTRIAZOLE, 2-(2'-HYDROXY-5'-METHYL-PHENYL)-|BRN 0615546|Dainsorb T 1|Drometrizol|Drometrizole|Drometrizolum|EINECS 219-470-5|Eversorb 71|Kemisorb 71|Lowilite 55|NSC 91885|p-Cresol, 2-(2H-benzotriazol-2-yl)-|Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-|PHENOL,2-(2H-BENZOTRIAZOL-2-YL)-4-METHYL|Porex P|Seesorb 701|Seikalizer AZ|Sumisorb 200|Tinuvin P|UNII-5X93W9OFZL|UV Absorber 1|UV absorber-1|UV-P|Uvasorb SV|Uvinul 3033P|Viosorb 520|106085-67-0|114921-82-3|1244977-92-1|134018-55-6|136567-91-4|141602-58-6|159520-35-1|169340-52-7|183681-64-3|189377-86-4|195740-58-0|2353514-71-1|50815-99-1|796971-93-2|908100-86-7|909728-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027479 https://doi.org/10.22427/NTP-DATA-DTXSID1027479
ERPathway2016 ERPathway2016_246 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4 DTXSID1027479 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4|2-(2H-Benzotriazol-2-yl)-4-methylphenol|2-(2-Hydroxy-5-methylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-methylphenyl)benzotriazole|2-(2'-HYDROXY-5'-METHYL-PHENYL)-BENZOTRIAZOL|2-(2'-Hydroxy-5'-methylphenyl)benzotriazole|2-(2H-benzotriazol-2-il)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-kresol|2-(2H-benzotriazole-2-yl)-p-cresol|2-(5-Methyl-2-hydroxyphenyl)benzotriazole|2-(5'-Methyl-2'-hydroxyphenyl)benzotriazole|2-Benzotriazol-2-yl-4-methylphenol|2-BENZOTRIAZOLYL-4-METHYLPHENOL|ADK Stab LA 32|ADK-ARKLS DN 13|Benazol II|Benazol P|BENZOTRIAZOLE, 2-(2'-HYDROXY-5'-METHYL-PHENYL)-|BRN 0615546|Dainsorb T 1|Drometrizol|Drometrizole|Drometrizolum|EINECS 219-470-5|Eversorb 71|Kemisorb 71|Lowilite 55|NSC 91885|p-Cresol, 2-(2H-benzotriazol-2-yl)-|Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-|PHENOL,2-(2H-BENZOTRIAZOL-2-YL)-4-METHYL|Porex P|Seesorb 701|Seikalizer AZ|Sumisorb 200|Tinuvin P|UNII-5X93W9OFZL|UV Absorber 1|UV absorber-1|UV-P|Uvasorb SV|Uvinul 3033P|Viosorb 520|106085-67-0|114921-82-3|1244977-92-1|134018-55-6|136567-91-4|141602-58-6|159520-35-1|169340-52-7|183681-64-3|189377-86-4|195740-58-0|2353514-71-1|50815-99-1|796971-93-2|908100-86-7|909728-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027479 https://doi.org/10.22427/NTP-DATA-DTXSID1027479
ERPathway2016 ERPathway2016_246 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4 DTXSID1027479 ER Pathway Model, Antagonist Call Active Unitless CC1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1 2-(2H-Benzotriazol-2-yl)-4-methylphenol 2440-22-4|2-(2H-Benzotriazol-2-yl)-4-methylphenol|2-(2-Hydroxy-5-methylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-methylphenyl)benzotriazole|2-(2'-HYDROXY-5'-METHYL-PHENYL)-BENZOTRIAZOL|2-(2'-Hydroxy-5'-methylphenyl)benzotriazole|2-(2H-benzotriazol-2-il)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-cresol|2-(2H-Benzotriazol-2-yl)-p-kresol|2-(2H-benzotriazole-2-yl)-p-cresol|2-(5-Methyl-2-hydroxyphenyl)benzotriazole|2-(5'-Methyl-2'-hydroxyphenyl)benzotriazole|2-Benzotriazol-2-yl-4-methylphenol|2-BENZOTRIAZOLYL-4-METHYLPHENOL|ADK Stab LA 32|ADK-ARKLS DN 13|Benazol II|Benazol P|BENZOTRIAZOLE, 2-(2'-HYDROXY-5'-METHYL-PHENYL)-|BRN 0615546|Dainsorb T 1|Drometrizol|Drometrizole|Drometrizolum|EINECS 219-470-5|Eversorb 71|Kemisorb 71|Lowilite 55|NSC 91885|p-Cresol, 2-(2H-benzotriazol-2-yl)-|Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-|PHENOL,2-(2H-BENZOTRIAZOL-2-YL)-4-METHYL|Porex P|Seesorb 701|Seikalizer AZ|Sumisorb 200|Tinuvin P|UNII-5X93W9OFZL|UV Absorber 1|UV absorber-1|UV-P|Uvasorb SV|Uvinul 3033P|Viosorb 520|106085-67-0|114921-82-3|1244977-92-1|134018-55-6|136567-91-4|141602-58-6|159520-35-1|169340-52-7|183681-64-3|189377-86-4|195740-58-0|2353514-71-1|50815-99-1|796971-93-2|908100-86-7|909728-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027479 https://doi.org/10.22427/NTP-DATA-DTXSID1027479
ARPathway2016 ARPathway2016_992 2-(3-Phenylpropyl)pyridine 2110-18-1 DTXSID7042356 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C(CC1=CC=CC=C1)CC1=CC=CC=N1 2-(3-Phenylpropyl)pyridine 2110-18-1|2-(3-Phenylpropyl)pyridine|alpha-(3-Phenylpropyl)pyridine|EINECS 218-300-7|FEMA No. 3751|Pyridine, 2-(3-phenylpropyl)-|UNII-9F0BFM744F https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042356
ARPathway2016 ARPathway2016_992 2-(3-Phenylpropyl)pyridine 2110-18-1 DTXSID7042356 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C(CC1=CC=CC=C1)CC1=CC=CC=N1 2-(3-Phenylpropyl)pyridine 2110-18-1|2-(3-Phenylpropyl)pyridine|alpha-(3-Phenylpropyl)pyridine|EINECS 218-300-7|FEMA No. 3751|Pyridine, 2-(3-phenylpropyl)-|UNII-9F0BFM744F https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042356
ARPathway2016 ARPathway2016_992 2-(3-Phenylpropyl)pyridine 2110-18-1 DTXSID7042356 0.0 AR Pathway Model, Agonist Call Inactive Unitless C(CC1=CC=CC=C1)CC1=CC=CC=N1 2-(3-Phenylpropyl)pyridine 2110-18-1|2-(3-Phenylpropyl)pyridine|alpha-(3-Phenylpropyl)pyridine|EINECS 218-300-7|FEMA No. 3751|Pyridine, 2-(3-phenylpropyl)-|UNII-9F0BFM744F https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042356
ARPathway2016 ARPathway2016_992 2-(3-Phenylpropyl)pyridine 2110-18-1 DTXSID7042356 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C(CC1=CC=CC=C1)CC1=CC=CC=N1 2-(3-Phenylpropyl)pyridine 2110-18-1|2-(3-Phenylpropyl)pyridine|alpha-(3-Phenylpropyl)pyridine|EINECS 218-300-7|FEMA No. 3751|Pyridine, 2-(3-phenylpropyl)-|UNII-9F0BFM744F https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042356
ERPathway2016 ERPathway2016_357 2-(3-Phenylpropyl)pyridine 2110-18-1 DTXSID7042356 ER Pathway Model, Antagonist AC50 38.0675810504614 uM C(CC1=CC=CC=C1)CC1=CC=CC=N1 2-(3-Phenylpropyl)pyridine 2110-18-1|2-(3-Phenylpropyl)pyridine|alpha-(3-Phenylpropyl)pyridine|EINECS 218-300-7|FEMA No. 3751|Pyridine, 2-(3-phenylpropyl)-|UNII-9F0BFM744F https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042356
ERPathway2016 ERPathway2016_357 2-(3-Phenylpropyl)pyridine 2110-18-1 DTXSID7042356 ER Pathway Model, Antagonist ACC 39.9783258665951 uM C(CC1=CC=CC=C1)CC1=CC=CC=N1 2-(3-Phenylpropyl)pyridine 2110-18-1|2-(3-Phenylpropyl)pyridine|alpha-(3-Phenylpropyl)pyridine|EINECS 218-300-7|FEMA No. 3751|Pyridine, 2-(3-phenylpropyl)-|UNII-9F0BFM744F https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042356
ERPathway2016 ERPathway2016_357 2-(3-Phenylpropyl)pyridine 2110-18-1 DTXSID7042356 ER Pathway Model, Agonist Model Score 0.0171 Unitless C(CC1=CC=CC=C1)CC1=CC=CC=N1 2-(3-Phenylpropyl)pyridine 2110-18-1|2-(3-Phenylpropyl)pyridine|alpha-(3-Phenylpropyl)pyridine|EINECS 218-300-7|FEMA No. 3751|Pyridine, 2-(3-phenylpropyl)-|UNII-9F0BFM744F https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042356
ERPathway2016 ERPathway2016_357 2-(3-Phenylpropyl)pyridine 2110-18-1 DTXSID7042356 ER Pathway Model, Antagonist Model Score 0 Unitless C(CC1=CC=CC=C1)CC1=CC=CC=N1 2-(3-Phenylpropyl)pyridine 2110-18-1|2-(3-Phenylpropyl)pyridine|alpha-(3-Phenylpropyl)pyridine|EINECS 218-300-7|FEMA No. 3751|Pyridine, 2-(3-phenylpropyl)-|UNII-9F0BFM744F https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042356
ERPathway2016 ERPathway2016_357 2-(3-Phenylpropyl)pyridine 2110-18-1 DTXSID7042356 ER Pathway Model, Agonist Call Inactive Unitless C(CC1=CC=CC=C1)CC1=CC=CC=N1 2-(3-Phenylpropyl)pyridine 2110-18-1|2-(3-Phenylpropyl)pyridine|alpha-(3-Phenylpropyl)pyridine|EINECS 218-300-7|FEMA No. 3751|Pyridine, 2-(3-phenylpropyl)-|UNII-9F0BFM744F https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042356
ERPathway2016 ERPathway2016_357 2-(3-Phenylpropyl)pyridine 2110-18-1 DTXSID7042356 ER Pathway Model, Antagonist Call Active Unitless C(CC1=CC=CC=C1)CC1=CC=CC=N1 2-(3-Phenylpropyl)pyridine 2110-18-1|2-(3-Phenylpropyl)pyridine|alpha-(3-Phenylpropyl)pyridine|EINECS 218-300-7|FEMA No. 3751|Pyridine, 2-(3-phenylpropyl)-|UNII-9F0BFM744F https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042356
ARPathway2016 ARPathway2016_1746 2-(4-Chloro-2-methylphenoxy)acetic acid 94-74-6 DTXSID4024195 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(OCC(O)=O)C=CC(Cl)=C1 2-(4-Chloro-2-methylphenoxy)acetic acid 94-74-6|2-(4-Chloro-2-methylphenoxy)acetic acid|((4-Chloro-o-tolyl)oxy)acetic acid|(2-Methyl-4-chlorophenoxy)acetic acid|(4-Chlor-2-methylphenoxy)essigsaure|(4-Chloro-2-methylphenoxy) acetic acid|(4-chloro-2-methylphenoxy)acetic acid|[(4-Chloro-o-tolyl)oxy]acetic acid|2-Methyl-4-chlorophenoxyacetic acid|2-Methyl-4-chlorphenoxyessigsaeure|2,4-MCPA|4-Chloro-2-methylphenoxyacetic acid|4-Chloro-o-cresoxyacetic acid|4-Chloro-o-toloxyacetic acid|4-Chloro-o-tolyloxyacetic acid|Acetic acid, (4-chloro-2-methylphenoxy)-|Acetic acid, (4-chloro-o-toloxy)-|Acetic acid, [(4-chloro-o-tolyl)oxy]-|Acetic acid, 2-(4-chloro-2-methylphenoxy)-|Acide (4-chloro-2-methylphenoxy)acetique|acido (4-cloro-2-metilfenoxi)acetico|Acme MCPA Amine 4|Agritox|Agroxon|Agroxone|Anicon kombi|Anicon M|B-Selektonon M|Banvel M|BH Mcpa|Bordermaster|BRN 2051752|Brominal M & plus|Caswell No. 557C|Chiptox|Chwastox 30|Chwastox Extra|Cornox-M|Dicopur M|Dicopur-M|EINECS 202-360-6|Emcepan|EPA Pesticide Chemical Code 030501|Hedapur M 52|Hedarex M|Hedonal M|Herbicide M|Hormoneste|Hormotuho|Hornotuho|Krezon|11111-13-0|11111-14-1|127289-40-1|50926-55-1|57425-61-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024195
ARPathway2016 ARPathway2016_1746 2-(4-Chloro-2-methylphenoxy)acetic acid 94-74-6 DTXSID4024195 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(OCC(O)=O)C=CC(Cl)=C1 2-(4-Chloro-2-methylphenoxy)acetic acid 94-74-6|2-(4-Chloro-2-methylphenoxy)acetic acid|((4-Chloro-o-tolyl)oxy)acetic acid|(2-Methyl-4-chlorophenoxy)acetic acid|(4-Chlor-2-methylphenoxy)essigsaure|(4-Chloro-2-methylphenoxy) acetic acid|(4-chloro-2-methylphenoxy)acetic acid|[(4-Chloro-o-tolyl)oxy]acetic acid|2-Methyl-4-chlorophenoxyacetic acid|2-Methyl-4-chlorphenoxyessigsaeure|2,4-MCPA|4-Chloro-2-methylphenoxyacetic acid|4-Chloro-o-cresoxyacetic acid|4-Chloro-o-toloxyacetic acid|4-Chloro-o-tolyloxyacetic acid|Acetic acid, (4-chloro-2-methylphenoxy)-|Acetic acid, (4-chloro-o-toloxy)-|Acetic acid, [(4-chloro-o-tolyl)oxy]-|Acetic acid, 2-(4-chloro-2-methylphenoxy)-|Acide (4-chloro-2-methylphenoxy)acetique|acido (4-cloro-2-metilfenoxi)acetico|Acme MCPA Amine 4|Agritox|Agroxon|Agroxone|Anicon kombi|Anicon M|B-Selektonon M|Banvel M|BH Mcpa|Bordermaster|BRN 2051752|Brominal M & plus|Caswell No. 557C|Chiptox|Chwastox 30|Chwastox Extra|Cornox-M|Dicopur M|Dicopur-M|EINECS 202-360-6|Emcepan|EPA Pesticide Chemical Code 030501|Hedapur M 52|Hedarex M|Hedonal M|Herbicide M|Hormoneste|Hormotuho|Hornotuho|Krezon|11111-13-0|11111-14-1|127289-40-1|50926-55-1|57425-61-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024195
ARPathway2016 ARPathway2016_1746 2-(4-Chloro-2-methylphenoxy)acetic acid 94-74-6 DTXSID4024195 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(OCC(O)=O)C=CC(Cl)=C1 2-(4-Chloro-2-methylphenoxy)acetic acid 94-74-6|2-(4-Chloro-2-methylphenoxy)acetic acid|((4-Chloro-o-tolyl)oxy)acetic acid|(2-Methyl-4-chlorophenoxy)acetic acid|(4-Chlor-2-methylphenoxy)essigsaure|(4-Chloro-2-methylphenoxy) acetic acid|(4-chloro-2-methylphenoxy)acetic acid|[(4-Chloro-o-tolyl)oxy]acetic acid|2-Methyl-4-chlorophenoxyacetic acid|2-Methyl-4-chlorphenoxyessigsaeure|2,4-MCPA|4-Chloro-2-methylphenoxyacetic acid|4-Chloro-o-cresoxyacetic acid|4-Chloro-o-toloxyacetic acid|4-Chloro-o-tolyloxyacetic acid|Acetic acid, (4-chloro-2-methylphenoxy)-|Acetic acid, (4-chloro-o-toloxy)-|Acetic acid, [(4-chloro-o-tolyl)oxy]-|Acetic acid, 2-(4-chloro-2-methylphenoxy)-|Acide (4-chloro-2-methylphenoxy)acetique|acido (4-cloro-2-metilfenoxi)acetico|Acme MCPA Amine 4|Agritox|Agroxon|Agroxone|Anicon kombi|Anicon M|B-Selektonon M|Banvel M|BH Mcpa|Bordermaster|BRN 2051752|Brominal M & plus|Caswell No. 557C|Chiptox|Chwastox 30|Chwastox Extra|Cornox-M|Dicopur M|Dicopur-M|EINECS 202-360-6|Emcepan|EPA Pesticide Chemical Code 030501|Hedapur M 52|Hedarex M|Hedonal M|Herbicide M|Hormoneste|Hormotuho|Hornotuho|Krezon|11111-13-0|11111-14-1|127289-40-1|50926-55-1|57425-61-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024195
ARPathway2016 ARPathway2016_1746 2-(4-Chloro-2-methylphenoxy)acetic acid 94-74-6 DTXSID4024195 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(OCC(O)=O)C=CC(Cl)=C1 2-(4-Chloro-2-methylphenoxy)acetic acid 94-74-6|2-(4-Chloro-2-methylphenoxy)acetic acid|((4-Chloro-o-tolyl)oxy)acetic acid|(2-Methyl-4-chlorophenoxy)acetic acid|(4-Chlor-2-methylphenoxy)essigsaure|(4-Chloro-2-methylphenoxy) acetic acid|(4-chloro-2-methylphenoxy)acetic acid|[(4-Chloro-o-tolyl)oxy]acetic acid|2-Methyl-4-chlorophenoxyacetic acid|2-Methyl-4-chlorphenoxyessigsaeure|2,4-MCPA|4-Chloro-2-methylphenoxyacetic acid|4-Chloro-o-cresoxyacetic acid|4-Chloro-o-toloxyacetic acid|4-Chloro-o-tolyloxyacetic acid|Acetic acid, (4-chloro-2-methylphenoxy)-|Acetic acid, (4-chloro-o-toloxy)-|Acetic acid, [(4-chloro-o-tolyl)oxy]-|Acetic acid, 2-(4-chloro-2-methylphenoxy)-|Acide (4-chloro-2-methylphenoxy)acetique|acido (4-cloro-2-metilfenoxi)acetico|Acme MCPA Amine 4|Agritox|Agroxon|Agroxone|Anicon kombi|Anicon M|B-Selektonon M|Banvel M|BH Mcpa|Bordermaster|BRN 2051752|Brominal M & plus|Caswell No. 557C|Chiptox|Chwastox 30|Chwastox Extra|Cornox-M|Dicopur M|Dicopur-M|EINECS 202-360-6|Emcepan|EPA Pesticide Chemical Code 030501|Hedapur M 52|Hedarex M|Hedonal M|Herbicide M|Hormoneste|Hormotuho|Hornotuho|Krezon|11111-13-0|11111-14-1|127289-40-1|50926-55-1|57425-61-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024195
ERPathway2016 ERPathway2016_1756 2-(4-Chloro-2-methylphenoxy)acetic acid 94-74-6 DTXSID4024195 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(OCC(O)=O)C=CC(Cl)=C1 2-(4-Chloro-2-methylphenoxy)acetic acid 94-74-6|2-(4-Chloro-2-methylphenoxy)acetic acid|((4-Chloro-o-tolyl)oxy)acetic acid|(2-Methyl-4-chlorophenoxy)acetic acid|(4-Chlor-2-methylphenoxy)essigsaure|(4-Chloro-2-methylphenoxy) acetic acid|(4-chloro-2-methylphenoxy)acetic acid|[(4-Chloro-o-tolyl)oxy]acetic acid|2-Methyl-4-chlorophenoxyacetic acid|2-Methyl-4-chlorphenoxyessigsaeure|2,4-MCPA|4-Chloro-2-methylphenoxyacetic acid|4-Chloro-o-cresoxyacetic acid|4-Chloro-o-toloxyacetic acid|4-Chloro-o-tolyloxyacetic acid|Acetic acid, (4-chloro-2-methylphenoxy)-|Acetic acid, (4-chloro-o-toloxy)-|Acetic acid, [(4-chloro-o-tolyl)oxy]-|Acetic acid, 2-(4-chloro-2-methylphenoxy)-|Acide (4-chloro-2-methylphenoxy)acetique|acido (4-cloro-2-metilfenoxi)acetico|Acme MCPA Amine 4|Agritox|Agroxon|Agroxone|Anicon kombi|Anicon M|B-Selektonon M|Banvel M|BH Mcpa|Bordermaster|BRN 2051752|Brominal M & plus|Caswell No. 557C|Chiptox|Chwastox 30|Chwastox Extra|Cornox-M|Dicopur M|Dicopur-M|EINECS 202-360-6|Emcepan|EPA Pesticide Chemical Code 030501|Hedapur M 52|Hedarex M|Hedonal M|Herbicide M|Hormoneste|Hormotuho|Hornotuho|Krezon|11111-13-0|11111-14-1|127289-40-1|50926-55-1|57425-61-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024195
ERPathway2016 ERPathway2016_1756 2-(4-Chloro-2-methylphenoxy)acetic acid 94-74-6 DTXSID4024195 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(OCC(O)=O)C=CC(Cl)=C1 2-(4-Chloro-2-methylphenoxy)acetic acid 94-74-6|2-(4-Chloro-2-methylphenoxy)acetic acid|((4-Chloro-o-tolyl)oxy)acetic acid|(2-Methyl-4-chlorophenoxy)acetic acid|(4-Chlor-2-methylphenoxy)essigsaure|(4-Chloro-2-methylphenoxy) acetic acid|(4-chloro-2-methylphenoxy)acetic acid|[(4-Chloro-o-tolyl)oxy]acetic acid|2-Methyl-4-chlorophenoxyacetic acid|2-Methyl-4-chlorphenoxyessigsaeure|2,4-MCPA|4-Chloro-2-methylphenoxyacetic acid|4-Chloro-o-cresoxyacetic acid|4-Chloro-o-toloxyacetic acid|4-Chloro-o-tolyloxyacetic acid|Acetic acid, (4-chloro-2-methylphenoxy)-|Acetic acid, (4-chloro-o-toloxy)-|Acetic acid, [(4-chloro-o-tolyl)oxy]-|Acetic acid, 2-(4-chloro-2-methylphenoxy)-|Acide (4-chloro-2-methylphenoxy)acetique|acido (4-cloro-2-metilfenoxi)acetico|Acme MCPA Amine 4|Agritox|Agroxon|Agroxone|Anicon kombi|Anicon M|B-Selektonon M|Banvel M|BH Mcpa|Bordermaster|BRN 2051752|Brominal M & plus|Caswell No. 557C|Chiptox|Chwastox 30|Chwastox Extra|Cornox-M|Dicopur M|Dicopur-M|EINECS 202-360-6|Emcepan|EPA Pesticide Chemical Code 030501|Hedapur M 52|Hedarex M|Hedonal M|Herbicide M|Hormoneste|Hormotuho|Hornotuho|Krezon|11111-13-0|11111-14-1|127289-40-1|50926-55-1|57425-61-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024195
ERPathway2016 ERPathway2016_1756 2-(4-Chloro-2-methylphenoxy)acetic acid 94-74-6 DTXSID4024195 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(OCC(O)=O)C=CC(Cl)=C1 2-(4-Chloro-2-methylphenoxy)acetic acid 94-74-6|2-(4-Chloro-2-methylphenoxy)acetic acid|((4-Chloro-o-tolyl)oxy)acetic acid|(2-Methyl-4-chlorophenoxy)acetic acid|(4-Chlor-2-methylphenoxy)essigsaure|(4-Chloro-2-methylphenoxy) acetic acid|(4-chloro-2-methylphenoxy)acetic acid|[(4-Chloro-o-tolyl)oxy]acetic acid|2-Methyl-4-chlorophenoxyacetic acid|2-Methyl-4-chlorphenoxyessigsaeure|2,4-MCPA|4-Chloro-2-methylphenoxyacetic acid|4-Chloro-o-cresoxyacetic acid|4-Chloro-o-toloxyacetic acid|4-Chloro-o-tolyloxyacetic acid|Acetic acid, (4-chloro-2-methylphenoxy)-|Acetic acid, (4-chloro-o-toloxy)-|Acetic acid, [(4-chloro-o-tolyl)oxy]-|Acetic acid, 2-(4-chloro-2-methylphenoxy)-|Acide (4-chloro-2-methylphenoxy)acetique|acido (4-cloro-2-metilfenoxi)acetico|Acme MCPA Amine 4|Agritox|Agroxon|Agroxone|Anicon kombi|Anicon M|B-Selektonon M|Banvel M|BH Mcpa|Bordermaster|BRN 2051752|Brominal M & plus|Caswell No. 557C|Chiptox|Chwastox 30|Chwastox Extra|Cornox-M|Dicopur M|Dicopur-M|EINECS 202-360-6|Emcepan|EPA Pesticide Chemical Code 030501|Hedapur M 52|Hedarex M|Hedonal M|Herbicide M|Hormoneste|Hormotuho|Hornotuho|Krezon|11111-13-0|11111-14-1|127289-40-1|50926-55-1|57425-61-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024195
ERPathway2016 ERPathway2016_1756 2-(4-Chloro-2-methylphenoxy)acetic acid 94-74-6 DTXSID4024195 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(OCC(O)=O)C=CC(Cl)=C1 2-(4-Chloro-2-methylphenoxy)acetic acid 94-74-6|2-(4-Chloro-2-methylphenoxy)acetic acid|((4-Chloro-o-tolyl)oxy)acetic acid|(2-Methyl-4-chlorophenoxy)acetic acid|(4-Chlor-2-methylphenoxy)essigsaure|(4-Chloro-2-methylphenoxy) acetic acid|(4-chloro-2-methylphenoxy)acetic acid|[(4-Chloro-o-tolyl)oxy]acetic acid|2-Methyl-4-chlorophenoxyacetic acid|2-Methyl-4-chlorphenoxyessigsaeure|2,4-MCPA|4-Chloro-2-methylphenoxyacetic acid|4-Chloro-o-cresoxyacetic acid|4-Chloro-o-toloxyacetic acid|4-Chloro-o-tolyloxyacetic acid|Acetic acid, (4-chloro-2-methylphenoxy)-|Acetic acid, (4-chloro-o-toloxy)-|Acetic acid, [(4-chloro-o-tolyl)oxy]-|Acetic acid, 2-(4-chloro-2-methylphenoxy)-|Acide (4-chloro-2-methylphenoxy)acetique|acido (4-cloro-2-metilfenoxi)acetico|Acme MCPA Amine 4|Agritox|Agroxon|Agroxone|Anicon kombi|Anicon M|B-Selektonon M|Banvel M|BH Mcpa|Bordermaster|BRN 2051752|Brominal M & plus|Caswell No. 557C|Chiptox|Chwastox 30|Chwastox Extra|Cornox-M|Dicopur M|Dicopur-M|EINECS 202-360-6|Emcepan|EPA Pesticide Chemical Code 030501|Hedapur M 52|Hedarex M|Hedonal M|Herbicide M|Hormoneste|Hormotuho|Hornotuho|Krezon|11111-13-0|11111-14-1|127289-40-1|50926-55-1|57425-61-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024195
ARPathway2016 ARPathway2016_1606 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6 DTXSID9026500 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(CC1=CC=C(C=C1)C(C)(C)C)C=O 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6|2-(4-Tert-Butylbenzyl)propionaldehyde|3-(4-tert-Butylphenyl)-2-methylpropanal|4-07-00-00802|alpha-Methyl-p-(tert-butyl)hydrocinnamaldehyde|alpha-Methyl, beta-(p-tert-butylphenyl)propionaldehyde|Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl- (2-(4-tert-Butylbenzyl)propionaldehyde) (3-(4-tert-butylphenyl)-2-methylpropanal)|BRN 0880140|EINECS 201-289-8|Lilial|NSC 22275|p-tert-Butyl-alpha-methyldihydrocinnamic aldehyde|p-tert-Butyl-alpha-methylhydrocinnamaldehyde|p-tert-Butyl-alpha-methylhydrocinnamic aldehyde|Propionaldehyde, beta-(4-tert-butylphenyl)-alpha-methyl-|UNII-T7540GJV69|39390-70-0|75166-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026500
ARPathway2016 ARPathway2016_1606 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6 DTXSID9026500 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(CC1=CC=C(C=C1)C(C)(C)C)C=O 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6|2-(4-Tert-Butylbenzyl)propionaldehyde|3-(4-tert-Butylphenyl)-2-methylpropanal|4-07-00-00802|alpha-Methyl-p-(tert-butyl)hydrocinnamaldehyde|alpha-Methyl, beta-(p-tert-butylphenyl)propionaldehyde|Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl- (2-(4-tert-Butylbenzyl)propionaldehyde) (3-(4-tert-butylphenyl)-2-methylpropanal)|BRN 0880140|EINECS 201-289-8|Lilial|NSC 22275|p-tert-Butyl-alpha-methyldihydrocinnamic aldehyde|p-tert-Butyl-alpha-methylhydrocinnamaldehyde|p-tert-Butyl-alpha-methylhydrocinnamic aldehyde|Propionaldehyde, beta-(4-tert-butylphenyl)-alpha-methyl-|UNII-T7540GJV69|39390-70-0|75166-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026500
ARPathway2016 ARPathway2016_1606 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6 DTXSID9026500 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(CC1=CC=C(C=C1)C(C)(C)C)C=O 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6|2-(4-Tert-Butylbenzyl)propionaldehyde|3-(4-tert-Butylphenyl)-2-methylpropanal|4-07-00-00802|alpha-Methyl-p-(tert-butyl)hydrocinnamaldehyde|alpha-Methyl, beta-(p-tert-butylphenyl)propionaldehyde|Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl- (2-(4-tert-Butylbenzyl)propionaldehyde) (3-(4-tert-butylphenyl)-2-methylpropanal)|BRN 0880140|EINECS 201-289-8|Lilial|NSC 22275|p-tert-Butyl-alpha-methyldihydrocinnamic aldehyde|p-tert-Butyl-alpha-methylhydrocinnamaldehyde|p-tert-Butyl-alpha-methylhydrocinnamic aldehyde|Propionaldehyde, beta-(4-tert-butylphenyl)-alpha-methyl-|UNII-T7540GJV69|39390-70-0|75166-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026500
ARPathway2016 ARPathway2016_1606 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6 DTXSID9026500 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(CC1=CC=C(C=C1)C(C)(C)C)C=O 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6|2-(4-Tert-Butylbenzyl)propionaldehyde|3-(4-tert-Butylphenyl)-2-methylpropanal|4-07-00-00802|alpha-Methyl-p-(tert-butyl)hydrocinnamaldehyde|alpha-Methyl, beta-(p-tert-butylphenyl)propionaldehyde|Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl- (2-(4-tert-Butylbenzyl)propionaldehyde) (3-(4-tert-butylphenyl)-2-methylpropanal)|BRN 0880140|EINECS 201-289-8|Lilial|NSC 22275|p-tert-Butyl-alpha-methyldihydrocinnamic aldehyde|p-tert-Butyl-alpha-methylhydrocinnamaldehyde|p-tert-Butyl-alpha-methylhydrocinnamic aldehyde|Propionaldehyde, beta-(4-tert-butylphenyl)-alpha-methyl-|UNII-T7540GJV69|39390-70-0|75166-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026500
ERPathway2016 ERPathway2016_474 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6 DTXSID9026500 ER Pathway Model, Antagonist AC50 29.0629838481264 uM CC(CC1=CC=C(C=C1)C(C)(C)C)C=O 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6|2-(4-Tert-Butylbenzyl)propionaldehyde|3-(4-tert-Butylphenyl)-2-methylpropanal|4-07-00-00802|alpha-Methyl-p-(tert-butyl)hydrocinnamaldehyde|alpha-Methyl, beta-(p-tert-butylphenyl)propionaldehyde|Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl- (2-(4-tert-Butylbenzyl)propionaldehyde) (3-(4-tert-butylphenyl)-2-methylpropanal)|BRN 0880140|EINECS 201-289-8|Lilial|NSC 22275|p-tert-Butyl-alpha-methyldihydrocinnamic aldehyde|p-tert-Butyl-alpha-methylhydrocinnamaldehyde|p-tert-Butyl-alpha-methylhydrocinnamic aldehyde|Propionaldehyde, beta-(4-tert-butylphenyl)-alpha-methyl-|UNII-T7540GJV69|39390-70-0|75166-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026500
ERPathway2016 ERPathway2016_474 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6 DTXSID9026500 ER Pathway Model, Antagonist ACC 24.5108899606255 uM CC(CC1=CC=C(C=C1)C(C)(C)C)C=O 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6|2-(4-Tert-Butylbenzyl)propionaldehyde|3-(4-tert-Butylphenyl)-2-methylpropanal|4-07-00-00802|alpha-Methyl-p-(tert-butyl)hydrocinnamaldehyde|alpha-Methyl, beta-(p-tert-butylphenyl)propionaldehyde|Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl- (2-(4-tert-Butylbenzyl)propionaldehyde) (3-(4-tert-butylphenyl)-2-methylpropanal)|BRN 0880140|EINECS 201-289-8|Lilial|NSC 22275|p-tert-Butyl-alpha-methyldihydrocinnamic aldehyde|p-tert-Butyl-alpha-methylhydrocinnamaldehyde|p-tert-Butyl-alpha-methylhydrocinnamic aldehyde|Propionaldehyde, beta-(4-tert-butylphenyl)-alpha-methyl-|UNII-T7540GJV69|39390-70-0|75166-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026500
ERPathway2016 ERPathway2016_474 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6 DTXSID9026500 ER Pathway Model, Agonist Model Score 0.0022 Unitless CC(CC1=CC=C(C=C1)C(C)(C)C)C=O 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6|2-(4-Tert-Butylbenzyl)propionaldehyde|3-(4-tert-Butylphenyl)-2-methylpropanal|4-07-00-00802|alpha-Methyl-p-(tert-butyl)hydrocinnamaldehyde|alpha-Methyl, beta-(p-tert-butylphenyl)propionaldehyde|Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl- (2-(4-tert-Butylbenzyl)propionaldehyde) (3-(4-tert-butylphenyl)-2-methylpropanal)|BRN 0880140|EINECS 201-289-8|Lilial|NSC 22275|p-tert-Butyl-alpha-methyldihydrocinnamic aldehyde|p-tert-Butyl-alpha-methylhydrocinnamaldehyde|p-tert-Butyl-alpha-methylhydrocinnamic aldehyde|Propionaldehyde, beta-(4-tert-butylphenyl)-alpha-methyl-|UNII-T7540GJV69|39390-70-0|75166-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026500
ERPathway2016 ERPathway2016_474 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6 DTXSID9026500 ER Pathway Model, Antagonist Model Score 0 Unitless CC(CC1=CC=C(C=C1)C(C)(C)C)C=O 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6|2-(4-Tert-Butylbenzyl)propionaldehyde|3-(4-tert-Butylphenyl)-2-methylpropanal|4-07-00-00802|alpha-Methyl-p-(tert-butyl)hydrocinnamaldehyde|alpha-Methyl, beta-(p-tert-butylphenyl)propionaldehyde|Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl- (2-(4-tert-Butylbenzyl)propionaldehyde) (3-(4-tert-butylphenyl)-2-methylpropanal)|BRN 0880140|EINECS 201-289-8|Lilial|NSC 22275|p-tert-Butyl-alpha-methyldihydrocinnamic aldehyde|p-tert-Butyl-alpha-methylhydrocinnamaldehyde|p-tert-Butyl-alpha-methylhydrocinnamic aldehyde|Propionaldehyde, beta-(4-tert-butylphenyl)-alpha-methyl-|UNII-T7540GJV69|39390-70-0|75166-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026500
ERPathway2016 ERPathway2016_474 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6 DTXSID9026500 ER Pathway Model, Agonist Call Inactive Unitless CC(CC1=CC=C(C=C1)C(C)(C)C)C=O 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6|2-(4-Tert-Butylbenzyl)propionaldehyde|3-(4-tert-Butylphenyl)-2-methylpropanal|4-07-00-00802|alpha-Methyl-p-(tert-butyl)hydrocinnamaldehyde|alpha-Methyl, beta-(p-tert-butylphenyl)propionaldehyde|Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl- (2-(4-tert-Butylbenzyl)propionaldehyde) (3-(4-tert-butylphenyl)-2-methylpropanal)|BRN 0880140|EINECS 201-289-8|Lilial|NSC 22275|p-tert-Butyl-alpha-methyldihydrocinnamic aldehyde|p-tert-Butyl-alpha-methylhydrocinnamaldehyde|p-tert-Butyl-alpha-methylhydrocinnamic aldehyde|Propionaldehyde, beta-(4-tert-butylphenyl)-alpha-methyl-|UNII-T7540GJV69|39390-70-0|75166-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026500
ERPathway2016 ERPathway2016_474 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6 DTXSID9026500 ER Pathway Model, Antagonist Call Active Unitless CC(CC1=CC=C(C=C1)C(C)(C)C)C=O 2-(4-Tert-Butylbenzyl)propionaldehyde 80-54-6|2-(4-Tert-Butylbenzyl)propionaldehyde|3-(4-tert-Butylphenyl)-2-methylpropanal|4-07-00-00802|alpha-Methyl-p-(tert-butyl)hydrocinnamaldehyde|alpha-Methyl, beta-(p-tert-butylphenyl)propionaldehyde|Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-|Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl- (2-(4-tert-Butylbenzyl)propionaldehyde) (3-(4-tert-butylphenyl)-2-methylpropanal)|BRN 0880140|EINECS 201-289-8|Lilial|NSC 22275|p-tert-Butyl-alpha-methyldihydrocinnamic aldehyde|p-tert-Butyl-alpha-methylhydrocinnamaldehyde|p-tert-Butyl-alpha-methylhydrocinnamic aldehyde|Propionaldehyde, beta-(4-tert-butylphenyl)-alpha-methyl-|UNII-T7540GJV69|39390-70-0|75166-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026500
ARPathway2016 ARPathway2016_314 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5 DTXSID2036112 True antagonist shift (No hit/Hit) 3.0 Agonist AR Pathway Model, Agonist AC50 17.2223389072609 uM CCCCCCCCC=CCCCCCCCC1=NCCN1CCO 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5|2-(8-Heptadecenyl)-2-imidazoline-1-ethanol|(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1- ethanol|1-(2-Hydroxyethyl)-2-(8-heptadecenyl)-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenyl-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenylglyoxalidine|1-(2-Hydroxyethyl)-2-N-heptadecenyl-2-imidazoline|1-Hydroxyethyl-2-heptadecenylglyoxalidine|1,4-IMIDAZOLE-1-ETHANOL,2-(8-HEPTADECENYL)-4,5-DIHYDRO|1H-Imidazole-1-ethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro-|1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-|2-(2-heptadec-8-enil-2-imidazolin-1-il)etanol|2-(2-Heptadec-8-enyl-2-imidazolin-1-yl)ethanol|2-(2-heptadec-8-enyl-2-imidazoline-1-yl)ethanol|2-(8-HEPTADECENYL)-1-(2-HYDROXYAETHYL)-2-IMIDAZOLIN|2-(8-Heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanol|2-Imidazoline-1-ethanol, 2-(8-heptadecenyl)-|202-414-9|5-23-05-00319|Amine 220|BRN 0025816|EC No.: 202-414-9|EINECS 202-414-9|IMIDAZOLE, 1-HYDROXYETHYL-2-(8-HEPTADECENYL)-4,5- DIHYDRO-|Nalcamine G 13|Nalcamine G-13|NSC 231649|UNII-33SRL989CC|114504-02-8|125943-48-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036112
ARPathway2016 ARPathway2016_314 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5 DTXSID2036112 True antagonist shift (No hit/Hit) 3.0 Agonist AR Pathway Model, Agonist ACC 17.29885162 uM CCCCCCCCC=CCCCCCCCC1=NCCN1CCO 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5|2-(8-Heptadecenyl)-2-imidazoline-1-ethanol|(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1- ethanol|1-(2-Hydroxyethyl)-2-(8-heptadecenyl)-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenyl-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenylglyoxalidine|1-(2-Hydroxyethyl)-2-N-heptadecenyl-2-imidazoline|1-Hydroxyethyl-2-heptadecenylglyoxalidine|1,4-IMIDAZOLE-1-ETHANOL,2-(8-HEPTADECENYL)-4,5-DIHYDRO|1H-Imidazole-1-ethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro-|1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-|2-(2-heptadec-8-enil-2-imidazolin-1-il)etanol|2-(2-Heptadec-8-enyl-2-imidazolin-1-yl)ethanol|2-(2-heptadec-8-enyl-2-imidazoline-1-yl)ethanol|2-(8-HEPTADECENYL)-1-(2-HYDROXYAETHYL)-2-IMIDAZOLIN|2-(8-Heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanol|2-Imidazoline-1-ethanol, 2-(8-heptadecenyl)-|202-414-9|5-23-05-00319|Amine 220|BRN 0025816|EC No.: 202-414-9|EINECS 202-414-9|IMIDAZOLE, 1-HYDROXYETHYL-2-(8-HEPTADECENYL)-4,5- DIHYDRO-|Nalcamine G 13|Nalcamine G-13|NSC 231649|UNII-33SRL989CC|114504-02-8|125943-48-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036112
ARPathway2016 ARPathway2016_314 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5 DTXSID2036112 True antagonist shift (No hit/Hit) 3.0 Agonist AR Pathway Model, Antagonist Model Score 0.0837 Unitless CCCCCCCCC=CCCCCCCCC1=NCCN1CCO 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5|2-(8-Heptadecenyl)-2-imidazoline-1-ethanol|(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1- ethanol|1-(2-Hydroxyethyl)-2-(8-heptadecenyl)-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenyl-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenylglyoxalidine|1-(2-Hydroxyethyl)-2-N-heptadecenyl-2-imidazoline|1-Hydroxyethyl-2-heptadecenylglyoxalidine|1,4-IMIDAZOLE-1-ETHANOL,2-(8-HEPTADECENYL)-4,5-DIHYDRO|1H-Imidazole-1-ethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro-|1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-|2-(2-heptadec-8-enil-2-imidazolin-1-il)etanol|2-(2-Heptadec-8-enyl-2-imidazolin-1-yl)ethanol|2-(2-heptadec-8-enyl-2-imidazoline-1-yl)ethanol|2-(8-HEPTADECENYL)-1-(2-HYDROXYAETHYL)-2-IMIDAZOLIN|2-(8-Heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanol|2-Imidazoline-1-ethanol, 2-(8-heptadecenyl)-|202-414-9|5-23-05-00319|Amine 220|BRN 0025816|EC No.: 202-414-9|EINECS 202-414-9|IMIDAZOLE, 1-HYDROXYETHYL-2-(8-HEPTADECENYL)-4,5- DIHYDRO-|Nalcamine G 13|Nalcamine G-13|NSC 231649|UNII-33SRL989CC|114504-02-8|125943-48-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036112
ARPathway2016 ARPathway2016_314 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5 DTXSID2036112 True antagonist shift (No hit/Hit) 3.0 Agonist AR Pathway Model, Agonist Model Score 0.0558 Unitless CCCCCCCCC=CCCCCCCCC1=NCCN1CCO 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5|2-(8-Heptadecenyl)-2-imidazoline-1-ethanol|(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1- ethanol|1-(2-Hydroxyethyl)-2-(8-heptadecenyl)-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenyl-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenylglyoxalidine|1-(2-Hydroxyethyl)-2-N-heptadecenyl-2-imidazoline|1-Hydroxyethyl-2-heptadecenylglyoxalidine|1,4-IMIDAZOLE-1-ETHANOL,2-(8-HEPTADECENYL)-4,5-DIHYDRO|1H-Imidazole-1-ethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro-|1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-|2-(2-heptadec-8-enil-2-imidazolin-1-il)etanol|2-(2-Heptadec-8-enyl-2-imidazolin-1-yl)ethanol|2-(2-heptadec-8-enyl-2-imidazoline-1-yl)ethanol|2-(8-HEPTADECENYL)-1-(2-HYDROXYAETHYL)-2-IMIDAZOLIN|2-(8-Heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanol|2-Imidazoline-1-ethanol, 2-(8-heptadecenyl)-|202-414-9|5-23-05-00319|Amine 220|BRN 0025816|EC No.: 202-414-9|EINECS 202-414-9|IMIDAZOLE, 1-HYDROXYETHYL-2-(8-HEPTADECENYL)-4,5- DIHYDRO-|Nalcamine G 13|Nalcamine G-13|NSC 231649|UNII-33SRL989CC|114504-02-8|125943-48-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036112
ARPathway2016 ARPathway2016_314 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5 DTXSID2036112 True antagonist shift (No hit/Hit) 3.0 Agonist AR Pathway Model, Agonist Call Active Unitless CCCCCCCCC=CCCCCCCCC1=NCCN1CCO 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5|2-(8-Heptadecenyl)-2-imidazoline-1-ethanol|(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1- ethanol|1-(2-Hydroxyethyl)-2-(8-heptadecenyl)-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenyl-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenylglyoxalidine|1-(2-Hydroxyethyl)-2-N-heptadecenyl-2-imidazoline|1-Hydroxyethyl-2-heptadecenylglyoxalidine|1,4-IMIDAZOLE-1-ETHANOL,2-(8-HEPTADECENYL)-4,5-DIHYDRO|1H-Imidazole-1-ethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro-|1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-|2-(2-heptadec-8-enil-2-imidazolin-1-il)etanol|2-(2-Heptadec-8-enyl-2-imidazolin-1-yl)ethanol|2-(2-heptadec-8-enyl-2-imidazoline-1-yl)ethanol|2-(8-HEPTADECENYL)-1-(2-HYDROXYAETHYL)-2-IMIDAZOLIN|2-(8-Heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanol|2-Imidazoline-1-ethanol, 2-(8-heptadecenyl)-|202-414-9|5-23-05-00319|Amine 220|BRN 0025816|EC No.: 202-414-9|EINECS 202-414-9|IMIDAZOLE, 1-HYDROXYETHYL-2-(8-HEPTADECENYL)-4,5- DIHYDRO-|Nalcamine G 13|Nalcamine G-13|NSC 231649|UNII-33SRL989CC|114504-02-8|125943-48-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036112
ARPathway2016 ARPathway2016_314 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5 DTXSID2036112 True antagonist shift (No hit/Hit) 3.0 Agonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC=CCCCCCCCC1=NCCN1CCO 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5|2-(8-Heptadecenyl)-2-imidazoline-1-ethanol|(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1- ethanol|1-(2-Hydroxyethyl)-2-(8-heptadecenyl)-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenyl-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenylglyoxalidine|1-(2-Hydroxyethyl)-2-N-heptadecenyl-2-imidazoline|1-Hydroxyethyl-2-heptadecenylglyoxalidine|1,4-IMIDAZOLE-1-ETHANOL,2-(8-HEPTADECENYL)-4,5-DIHYDRO|1H-Imidazole-1-ethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro-|1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-|2-(2-heptadec-8-enil-2-imidazolin-1-il)etanol|2-(2-Heptadec-8-enyl-2-imidazolin-1-yl)ethanol|2-(2-heptadec-8-enyl-2-imidazoline-1-yl)ethanol|2-(8-HEPTADECENYL)-1-(2-HYDROXYAETHYL)-2-IMIDAZOLIN|2-(8-Heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanol|2-Imidazoline-1-ethanol, 2-(8-heptadecenyl)-|202-414-9|5-23-05-00319|Amine 220|BRN 0025816|EC No.: 202-414-9|EINECS 202-414-9|IMIDAZOLE, 1-HYDROXYETHYL-2-(8-HEPTADECENYL)-4,5- DIHYDRO-|Nalcamine G 13|Nalcamine G-13|NSC 231649|UNII-33SRL989CC|114504-02-8|125943-48-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036112
ERPathway2016 ERPathway2016_17 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5 DTXSID2036112 ER Pathway Model, Agonist AC50 21.1191751142042 uM CCCCCCCCC=CCCCCCCCC1=NCCN1CCO 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5|2-(8-Heptadecenyl)-2-imidazoline-1-ethanol|(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1- ethanol|1-(2-Hydroxyethyl)-2-(8-heptadecenyl)-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenyl-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenylglyoxalidine|1-(2-Hydroxyethyl)-2-N-heptadecenyl-2-imidazoline|1-Hydroxyethyl-2-heptadecenylglyoxalidine|1,4-IMIDAZOLE-1-ETHANOL,2-(8-HEPTADECENYL)-4,5-DIHYDRO|1H-Imidazole-1-ethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro-|1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-|2-(2-heptadec-8-enil-2-imidazolin-1-il)etanol|2-(2-Heptadec-8-enyl-2-imidazolin-1-yl)ethanol|2-(2-heptadec-8-enyl-2-imidazoline-1-yl)ethanol|2-(8-HEPTADECENYL)-1-(2-HYDROXYAETHYL)-2-IMIDAZOLIN|2-(8-Heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanol|2-Imidazoline-1-ethanol, 2-(8-heptadecenyl)-|202-414-9|5-23-05-00319|Amine 220|BRN 0025816|EC No.: 202-414-9|EINECS 202-414-9|IMIDAZOLE, 1-HYDROXYETHYL-2-(8-HEPTADECENYL)-4,5- DIHYDRO-|Nalcamine G 13|Nalcamine G-13|NSC 231649|UNII-33SRL989CC|114504-02-8|125943-48-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036112
ERPathway2016 ERPathway2016_17 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5 DTXSID2036112 ER Pathway Model, Agonist ACC 16.383252552665 uM CCCCCCCCC=CCCCCCCCC1=NCCN1CCO 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5|2-(8-Heptadecenyl)-2-imidazoline-1-ethanol|(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1- ethanol|1-(2-Hydroxyethyl)-2-(8-heptadecenyl)-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenyl-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenylglyoxalidine|1-(2-Hydroxyethyl)-2-N-heptadecenyl-2-imidazoline|1-Hydroxyethyl-2-heptadecenylglyoxalidine|1,4-IMIDAZOLE-1-ETHANOL,2-(8-HEPTADECENYL)-4,5-DIHYDRO|1H-Imidazole-1-ethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro-|1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-|2-(2-heptadec-8-enil-2-imidazolin-1-il)etanol|2-(2-Heptadec-8-enyl-2-imidazolin-1-yl)ethanol|2-(2-heptadec-8-enyl-2-imidazoline-1-yl)ethanol|2-(8-HEPTADECENYL)-1-(2-HYDROXYAETHYL)-2-IMIDAZOLIN|2-(8-Heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanol|2-Imidazoline-1-ethanol, 2-(8-heptadecenyl)-|202-414-9|5-23-05-00319|Amine 220|BRN 0025816|EC No.: 202-414-9|EINECS 202-414-9|IMIDAZOLE, 1-HYDROXYETHYL-2-(8-HEPTADECENYL)-4,5- DIHYDRO-|Nalcamine G 13|Nalcamine G-13|NSC 231649|UNII-33SRL989CC|114504-02-8|125943-48-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036112
ERPathway2016 ERPathway2016_17 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5 DTXSID2036112 ER Pathway Model, Agonist Model Score 0.0142 Unitless CCCCCCCCC=CCCCCCCCC1=NCCN1CCO 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5|2-(8-Heptadecenyl)-2-imidazoline-1-ethanol|(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1- ethanol|1-(2-Hydroxyethyl)-2-(8-heptadecenyl)-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenyl-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenylglyoxalidine|1-(2-Hydroxyethyl)-2-N-heptadecenyl-2-imidazoline|1-Hydroxyethyl-2-heptadecenylglyoxalidine|1,4-IMIDAZOLE-1-ETHANOL,2-(8-HEPTADECENYL)-4,5-DIHYDRO|1H-Imidazole-1-ethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro-|1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-|2-(2-heptadec-8-enil-2-imidazolin-1-il)etanol|2-(2-Heptadec-8-enyl-2-imidazolin-1-yl)ethanol|2-(2-heptadec-8-enyl-2-imidazoline-1-yl)ethanol|2-(8-HEPTADECENYL)-1-(2-HYDROXYAETHYL)-2-IMIDAZOLIN|2-(8-Heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanol|2-Imidazoline-1-ethanol, 2-(8-heptadecenyl)-|202-414-9|5-23-05-00319|Amine 220|BRN 0025816|EC No.: 202-414-9|EINECS 202-414-9|IMIDAZOLE, 1-HYDROXYETHYL-2-(8-HEPTADECENYL)-4,5- DIHYDRO-|Nalcamine G 13|Nalcamine G-13|NSC 231649|UNII-33SRL989CC|114504-02-8|125943-48-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036112
ERPathway2016 ERPathway2016_17 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5 DTXSID2036112 ER Pathway Model, Antagonist Model Score 0.0143 Unitless CCCCCCCCC=CCCCCCCCC1=NCCN1CCO 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5|2-(8-Heptadecenyl)-2-imidazoline-1-ethanol|(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1- ethanol|1-(2-Hydroxyethyl)-2-(8-heptadecenyl)-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenyl-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenylglyoxalidine|1-(2-Hydroxyethyl)-2-N-heptadecenyl-2-imidazoline|1-Hydroxyethyl-2-heptadecenylglyoxalidine|1,4-IMIDAZOLE-1-ETHANOL,2-(8-HEPTADECENYL)-4,5-DIHYDRO|1H-Imidazole-1-ethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro-|1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-|2-(2-heptadec-8-enil-2-imidazolin-1-il)etanol|2-(2-Heptadec-8-enyl-2-imidazolin-1-yl)ethanol|2-(2-heptadec-8-enyl-2-imidazoline-1-yl)ethanol|2-(8-HEPTADECENYL)-1-(2-HYDROXYAETHYL)-2-IMIDAZOLIN|2-(8-Heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanol|2-Imidazoline-1-ethanol, 2-(8-heptadecenyl)-|202-414-9|5-23-05-00319|Amine 220|BRN 0025816|EC No.: 202-414-9|EINECS 202-414-9|IMIDAZOLE, 1-HYDROXYETHYL-2-(8-HEPTADECENYL)-4,5- DIHYDRO-|Nalcamine G 13|Nalcamine G-13|NSC 231649|UNII-33SRL989CC|114504-02-8|125943-48-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036112
ERPathway2016 ERPathway2016_17 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5 DTXSID2036112 ER Pathway Model, Agonist Call Active Unitless CCCCCCCCC=CCCCCCCCC1=NCCN1CCO 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5|2-(8-Heptadecenyl)-2-imidazoline-1-ethanol|(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1- ethanol|1-(2-Hydroxyethyl)-2-(8-heptadecenyl)-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenyl-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenylglyoxalidine|1-(2-Hydroxyethyl)-2-N-heptadecenyl-2-imidazoline|1-Hydroxyethyl-2-heptadecenylglyoxalidine|1,4-IMIDAZOLE-1-ETHANOL,2-(8-HEPTADECENYL)-4,5-DIHYDRO|1H-Imidazole-1-ethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro-|1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-|2-(2-heptadec-8-enil-2-imidazolin-1-il)etanol|2-(2-Heptadec-8-enyl-2-imidazolin-1-yl)ethanol|2-(2-heptadec-8-enyl-2-imidazoline-1-yl)ethanol|2-(8-HEPTADECENYL)-1-(2-HYDROXYAETHYL)-2-IMIDAZOLIN|2-(8-Heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanol|2-Imidazoline-1-ethanol, 2-(8-heptadecenyl)-|202-414-9|5-23-05-00319|Amine 220|BRN 0025816|EC No.: 202-414-9|EINECS 202-414-9|IMIDAZOLE, 1-HYDROXYETHYL-2-(8-HEPTADECENYL)-4,5- DIHYDRO-|Nalcamine G 13|Nalcamine G-13|NSC 231649|UNII-33SRL989CC|114504-02-8|125943-48-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036112
ERPathway2016 ERPathway2016_17 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5 DTXSID2036112 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC=CCCCCCCCC1=NCCN1CCO 2-(8-Heptadecenyl)-2-imidazoline-1-ethanol 95-38-5|2-(8-Heptadecenyl)-2-imidazoline-1-ethanol|(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1- ethanol|1-(2-Hydroxyethyl)-2-(8-heptadecenyl)-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenyl-2-imidazoline|1-(2-Hydroxyethyl)-2-heptadecenylglyoxalidine|1-(2-Hydroxyethyl)-2-N-heptadecenyl-2-imidazoline|1-Hydroxyethyl-2-heptadecenylglyoxalidine|1,4-IMIDAZOLE-1-ETHANOL,2-(8-HEPTADECENYL)-4,5-DIHYDRO|1H-Imidazole-1-ethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro-|1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-|2-(2-heptadec-8-enil-2-imidazolin-1-il)etanol|2-(2-Heptadec-8-enyl-2-imidazolin-1-yl)ethanol|2-(2-heptadec-8-enyl-2-imidazoline-1-yl)ethanol|2-(8-HEPTADECENYL)-1-(2-HYDROXYAETHYL)-2-IMIDAZOLIN|2-(8-Heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanol|2-Imidazoline-1-ethanol, 2-(8-heptadecenyl)-|202-414-9|5-23-05-00319|Amine 220|BRN 0025816|EC No.: 202-414-9|EINECS 202-414-9|IMIDAZOLE, 1-HYDROXYETHYL-2-(8-HEPTADECENYL)-4,5- DIHYDRO-|Nalcamine G 13|Nalcamine G-13|NSC 231649|UNII-33SRL989CC|114504-02-8|125943-48-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036112
ARPathway2016 ARPathway2016_1688 2-(Butan-2-yl)phenol 89-72-5 DTXSID2022331 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(C)C1=C(O)C=CC=C1 2-(Butan-2-yl)phenol 89-72-5|2-(Butan-2-yl)phenol|2-(1-Methylpropyl)phenol|2-(2-Butyl)phenol|2-sec-Butylphenol|2-sec.Butylfenol|3-06-00-01852|BRN 1210026|EINECS 201-933-8|o-sec-Butylphenol|Phenol, 2-(1-methylpropyl)-|UNII-025P24OTM5|28449-95-8|96346-15-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022331 https://doi.org/10.22427/NTP-DATA-DTXSID2022331
ARPathway2016 ARPathway2016_1688 2-(Butan-2-yl)phenol 89-72-5 DTXSID2022331 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)C1=C(O)C=CC=C1 2-(Butan-2-yl)phenol 89-72-5|2-(Butan-2-yl)phenol|2-(1-Methylpropyl)phenol|2-(2-Butyl)phenol|2-sec-Butylphenol|2-sec.Butylfenol|3-06-00-01852|BRN 1210026|EINECS 201-933-8|o-sec-Butylphenol|Phenol, 2-(1-methylpropyl)-|UNII-025P24OTM5|28449-95-8|96346-15-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022331 https://doi.org/10.22427/NTP-DATA-DTXSID2022331
ARPathway2016 ARPathway2016_1688 2-(Butan-2-yl)phenol 89-72-5 DTXSID2022331 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCC(C)C1=C(O)C=CC=C1 2-(Butan-2-yl)phenol 89-72-5|2-(Butan-2-yl)phenol|2-(1-Methylpropyl)phenol|2-(2-Butyl)phenol|2-sec-Butylphenol|2-sec.Butylfenol|3-06-00-01852|BRN 1210026|EINECS 201-933-8|o-sec-Butylphenol|Phenol, 2-(1-methylpropyl)-|UNII-025P24OTM5|28449-95-8|96346-15-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022331 https://doi.org/10.22427/NTP-DATA-DTXSID2022331
ARPathway2016 ARPathway2016_1688 2-(Butan-2-yl)phenol 89-72-5 DTXSID2022331 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)C1=C(O)C=CC=C1 2-(Butan-2-yl)phenol 89-72-5|2-(Butan-2-yl)phenol|2-(1-Methylpropyl)phenol|2-(2-Butyl)phenol|2-sec-Butylphenol|2-sec.Butylfenol|3-06-00-01852|BRN 1210026|EINECS 201-933-8|o-sec-Butylphenol|Phenol, 2-(1-methylpropyl)-|UNII-025P24OTM5|28449-95-8|96346-15-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022331 https://doi.org/10.22427/NTP-DATA-DTXSID2022331
ERPathway2016 ERPathway2016_941 2-(Butan-2-yl)phenol 89-72-5 DTXSID2022331 ER Pathway Model, Agonist Model Score 0 Unitless CCC(C)C1=C(O)C=CC=C1 2-(Butan-2-yl)phenol 89-72-5|2-(Butan-2-yl)phenol|2-(1-Methylpropyl)phenol|2-(2-Butyl)phenol|2-sec-Butylphenol|2-sec.Butylfenol|3-06-00-01852|BRN 1210026|EINECS 201-933-8|o-sec-Butylphenol|Phenol, 2-(1-methylpropyl)-|UNII-025P24OTM5|28449-95-8|96346-15-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022331 https://doi.org/10.22427/NTP-DATA-DTXSID2022331
ERPathway2016 ERPathway2016_941 2-(Butan-2-yl)phenol 89-72-5 DTXSID2022331 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)C1=C(O)C=CC=C1 2-(Butan-2-yl)phenol 89-72-5|2-(Butan-2-yl)phenol|2-(1-Methylpropyl)phenol|2-(2-Butyl)phenol|2-sec-Butylphenol|2-sec.Butylfenol|3-06-00-01852|BRN 1210026|EINECS 201-933-8|o-sec-Butylphenol|Phenol, 2-(1-methylpropyl)-|UNII-025P24OTM5|28449-95-8|96346-15-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022331 https://doi.org/10.22427/NTP-DATA-DTXSID2022331
ERPathway2016 ERPathway2016_941 2-(Butan-2-yl)phenol 89-72-5 DTXSID2022331 ER Pathway Model, Agonist Call Inactive Unitless CCC(C)C1=C(O)C=CC=C1 2-(Butan-2-yl)phenol 89-72-5|2-(Butan-2-yl)phenol|2-(1-Methylpropyl)phenol|2-(2-Butyl)phenol|2-sec-Butylphenol|2-sec.Butylfenol|3-06-00-01852|BRN 1210026|EINECS 201-933-8|o-sec-Butylphenol|Phenol, 2-(1-methylpropyl)-|UNII-025P24OTM5|28449-95-8|96346-15-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022331 https://doi.org/10.22427/NTP-DATA-DTXSID2022331
ERPathway2016 ERPathway2016_941 2-(Butan-2-yl)phenol 89-72-5 DTXSID2022331 ER Pathway Model, Antagonist Call Inactive Unitless CCC(C)C1=C(O)C=CC=C1 2-(Butan-2-yl)phenol 89-72-5|2-(Butan-2-yl)phenol|2-(1-Methylpropyl)phenol|2-(2-Butyl)phenol|2-sec-Butylphenol|2-sec.Butylfenol|3-06-00-01852|BRN 1210026|EINECS 201-933-8|o-sec-Butylphenol|Phenol, 2-(1-methylpropyl)-|UNII-025P24OTM5|28449-95-8|96346-15-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022331 https://doi.org/10.22427/NTP-DATA-DTXSID2022331
ARPathway2016 ARPathway2016_551 2-(Ethylamino)ethanol 110-73-6 DTXSID9021922 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCNCCO 2-(Ethylamino)ethanol 110-73-6|2-(Ethylamino)ethanol|(2-Hydroxyethyl)ethylamine|2-(AETHYLAMINO)-AETHANOL|2-(Monoethylamino)ethanol|2-(N-Ethylamino)ethanol|2-Ethylaminoethanol|2-etilaminoetanol|2-N-Monoethylaminoethanol|Amino Alcohol MEM|EINECS 203-797-5|Ethanol, 2-(ethylamino)-|Ethylaminoethanol|N-(2-Hydroxyethyl)ethylamine|N-Ethyl ethanolamine|N-Ethyl-2-aminoethanol|N-Ethyl-N-(2-hydroxyethyl)amine|N-Ethyl-N-(b-hydroxyethyl)amine|N-Ethylethanolamine|N-Ethylmonoethanolamine|UNII-1G0G2TK41H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021922
ARPathway2016 ARPathway2016_551 2-(Ethylamino)ethanol 110-73-6 DTXSID9021922 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCNCCO 2-(Ethylamino)ethanol 110-73-6|2-(Ethylamino)ethanol|(2-Hydroxyethyl)ethylamine|2-(AETHYLAMINO)-AETHANOL|2-(Monoethylamino)ethanol|2-(N-Ethylamino)ethanol|2-Ethylaminoethanol|2-etilaminoetanol|2-N-Monoethylaminoethanol|Amino Alcohol MEM|EINECS 203-797-5|Ethanol, 2-(ethylamino)-|Ethylaminoethanol|N-(2-Hydroxyethyl)ethylamine|N-Ethyl ethanolamine|N-Ethyl-2-aminoethanol|N-Ethyl-N-(2-hydroxyethyl)amine|N-Ethyl-N-(b-hydroxyethyl)amine|N-Ethylethanolamine|N-Ethylmonoethanolamine|UNII-1G0G2TK41H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021922
ARPathway2016 ARPathway2016_551 2-(Ethylamino)ethanol 110-73-6 DTXSID9021922 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCNCCO 2-(Ethylamino)ethanol 110-73-6|2-(Ethylamino)ethanol|(2-Hydroxyethyl)ethylamine|2-(AETHYLAMINO)-AETHANOL|2-(Monoethylamino)ethanol|2-(N-Ethylamino)ethanol|2-Ethylaminoethanol|2-etilaminoetanol|2-N-Monoethylaminoethanol|Amino Alcohol MEM|EINECS 203-797-5|Ethanol, 2-(ethylamino)-|Ethylaminoethanol|N-(2-Hydroxyethyl)ethylamine|N-Ethyl ethanolamine|N-Ethyl-2-aminoethanol|N-Ethyl-N-(2-hydroxyethyl)amine|N-Ethyl-N-(b-hydroxyethyl)amine|N-Ethylethanolamine|N-Ethylmonoethanolamine|UNII-1G0G2TK41H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021922
ARPathway2016 ARPathway2016_551 2-(Ethylamino)ethanol 110-73-6 DTXSID9021922 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCNCCO 2-(Ethylamino)ethanol 110-73-6|2-(Ethylamino)ethanol|(2-Hydroxyethyl)ethylamine|2-(AETHYLAMINO)-AETHANOL|2-(Monoethylamino)ethanol|2-(N-Ethylamino)ethanol|2-Ethylaminoethanol|2-etilaminoetanol|2-N-Monoethylaminoethanol|Amino Alcohol MEM|EINECS 203-797-5|Ethanol, 2-(ethylamino)-|Ethylaminoethanol|N-(2-Hydroxyethyl)ethylamine|N-Ethyl ethanolamine|N-Ethyl-2-aminoethanol|N-Ethyl-N-(2-hydroxyethyl)amine|N-Ethyl-N-(b-hydroxyethyl)amine|N-Ethylethanolamine|N-Ethylmonoethanolamine|UNII-1G0G2TK41H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021922
ERPathway2016 ERPathway2016_870 2-(Ethylamino)ethanol 110-73-6 DTXSID9021922 ER Pathway Model, Agonist Model Score 0 Unitless CCNCCO 2-(Ethylamino)ethanol 110-73-6|2-(Ethylamino)ethanol|(2-Hydroxyethyl)ethylamine|2-(AETHYLAMINO)-AETHANOL|2-(Monoethylamino)ethanol|2-(N-Ethylamino)ethanol|2-Ethylaminoethanol|2-etilaminoetanol|2-N-Monoethylaminoethanol|Amino Alcohol MEM|EINECS 203-797-5|Ethanol, 2-(ethylamino)-|Ethylaminoethanol|N-(2-Hydroxyethyl)ethylamine|N-Ethyl ethanolamine|N-Ethyl-2-aminoethanol|N-Ethyl-N-(2-hydroxyethyl)amine|N-Ethyl-N-(b-hydroxyethyl)amine|N-Ethylethanolamine|N-Ethylmonoethanolamine|UNII-1G0G2TK41H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021922
ERPathway2016 ERPathway2016_870 2-(Ethylamino)ethanol 110-73-6 DTXSID9021922 ER Pathway Model, Antagonist Model Score 0 Unitless CCNCCO 2-(Ethylamino)ethanol 110-73-6|2-(Ethylamino)ethanol|(2-Hydroxyethyl)ethylamine|2-(AETHYLAMINO)-AETHANOL|2-(Monoethylamino)ethanol|2-(N-Ethylamino)ethanol|2-Ethylaminoethanol|2-etilaminoetanol|2-N-Monoethylaminoethanol|Amino Alcohol MEM|EINECS 203-797-5|Ethanol, 2-(ethylamino)-|Ethylaminoethanol|N-(2-Hydroxyethyl)ethylamine|N-Ethyl ethanolamine|N-Ethyl-2-aminoethanol|N-Ethyl-N-(2-hydroxyethyl)amine|N-Ethyl-N-(b-hydroxyethyl)amine|N-Ethylethanolamine|N-Ethylmonoethanolamine|UNII-1G0G2TK41H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021922
ERPathway2016 ERPathway2016_870 2-(Ethylamino)ethanol 110-73-6 DTXSID9021922 ER Pathway Model, Agonist Call Inactive Unitless CCNCCO 2-(Ethylamino)ethanol 110-73-6|2-(Ethylamino)ethanol|(2-Hydroxyethyl)ethylamine|2-(AETHYLAMINO)-AETHANOL|2-(Monoethylamino)ethanol|2-(N-Ethylamino)ethanol|2-Ethylaminoethanol|2-etilaminoetanol|2-N-Monoethylaminoethanol|Amino Alcohol MEM|EINECS 203-797-5|Ethanol, 2-(ethylamino)-|Ethylaminoethanol|N-(2-Hydroxyethyl)ethylamine|N-Ethyl ethanolamine|N-Ethyl-2-aminoethanol|N-Ethyl-N-(2-hydroxyethyl)amine|N-Ethyl-N-(b-hydroxyethyl)amine|N-Ethylethanolamine|N-Ethylmonoethanolamine|UNII-1G0G2TK41H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021922
ERPathway2016 ERPathway2016_870 2-(Ethylamino)ethanol 110-73-6 DTXSID9021922 ER Pathway Model, Antagonist Call Inactive Unitless CCNCCO 2-(Ethylamino)ethanol 110-73-6|2-(Ethylamino)ethanol|(2-Hydroxyethyl)ethylamine|2-(AETHYLAMINO)-AETHANOL|2-(Monoethylamino)ethanol|2-(N-Ethylamino)ethanol|2-Ethylaminoethanol|2-etilaminoetanol|2-N-Monoethylaminoethanol|Amino Alcohol MEM|EINECS 203-797-5|Ethanol, 2-(ethylamino)-|Ethylaminoethanol|N-(2-Hydroxyethyl)ethylamine|N-Ethyl ethanolamine|N-Ethyl-2-aminoethanol|N-Ethyl-N-(2-hydroxyethyl)amine|N-Ethyl-N-(b-hydroxyethyl)amine|N-Ethylethanolamine|N-Ethylmonoethanolamine|UNII-1G0G2TK41H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021922
ARPathway2016 ARPathway2016_746 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 126-11-4 DTXSID8027034 0.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless OCC(CO)(CO)[N+]([O-])=O 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 126-11-4|2-(Hydroxymethyl)-2-nitro-1,3-propanediol|1,1,1-Tris(hydroxymethyl)nitromethane|1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-|2-(Hydroxymethyl)-2-nitropropanediol|2-Hydroxymethyl-2-nitro-1,3-propanediol|2-Hydroxymethyl-2-nitropropane-1,3-diol|Caswell No. 495|Cimcool wafers|EINECS 204-769-5|EPA Pesticide Chemical Code 083902|Isobutylglycerol, nitro-|Methane, trimethylolnitro-|Nitroisobutylglycerol|Nitromethylidynetrimethanol|Nitrotris(hydroxymethyl)methane|NSC 17675|Trihydroxymethylnitromethane|Tris nitro|Tris(hydroxymethyl)nitromethane|UNII-3E794G4ZRB https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027034
ARPathway2016 ARPathway2016_746 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 126-11-4 DTXSID8027034 0.0 R5 AR Pathway Model, Agonist Call Inactive Unitless OCC(CO)(CO)[N+]([O-])=O 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 126-11-4|2-(Hydroxymethyl)-2-nitro-1,3-propanediol|1,1,1-Tris(hydroxymethyl)nitromethane|1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-|2-(Hydroxymethyl)-2-nitropropanediol|2-Hydroxymethyl-2-nitro-1,3-propanediol|2-Hydroxymethyl-2-nitropropane-1,3-diol|Caswell No. 495|Cimcool wafers|EINECS 204-769-5|EPA Pesticide Chemical Code 083902|Isobutylglycerol, nitro-|Methane, trimethylolnitro-|Nitroisobutylglycerol|Nitromethylidynetrimethanol|Nitrotris(hydroxymethyl)methane|NSC 17675|Trihydroxymethylnitromethane|Tris nitro|Tris(hydroxymethyl)nitromethane|UNII-3E794G4ZRB https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027034
ARPathway2016 ARPathway2016_746 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 126-11-4 DTXSID8027034 0.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless OCC(CO)(CO)[N+]([O-])=O 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 126-11-4|2-(Hydroxymethyl)-2-nitro-1,3-propanediol|1,1,1-Tris(hydroxymethyl)nitromethane|1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-|2-(Hydroxymethyl)-2-nitropropanediol|2-Hydroxymethyl-2-nitro-1,3-propanediol|2-Hydroxymethyl-2-nitropropane-1,3-diol|Caswell No. 495|Cimcool wafers|EINECS 204-769-5|EPA Pesticide Chemical Code 083902|Isobutylglycerol, nitro-|Methane, trimethylolnitro-|Nitroisobutylglycerol|Nitromethylidynetrimethanol|Nitrotris(hydroxymethyl)methane|NSC 17675|Trihydroxymethylnitromethane|Tris nitro|Tris(hydroxymethyl)nitromethane|UNII-3E794G4ZRB https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027034
ARPathway2016 ARPathway2016_746 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 126-11-4 DTXSID8027034 0.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless OCC(CO)(CO)[N+]([O-])=O 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 126-11-4|2-(Hydroxymethyl)-2-nitro-1,3-propanediol|1,1,1-Tris(hydroxymethyl)nitromethane|1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-|2-(Hydroxymethyl)-2-nitropropanediol|2-Hydroxymethyl-2-nitro-1,3-propanediol|2-Hydroxymethyl-2-nitropropane-1,3-diol|Caswell No. 495|Cimcool wafers|EINECS 204-769-5|EPA Pesticide Chemical Code 083902|Isobutylglycerol, nitro-|Methane, trimethylolnitro-|Nitroisobutylglycerol|Nitromethylidynetrimethanol|Nitrotris(hydroxymethyl)methane|NSC 17675|Trihydroxymethylnitromethane|Tris nitro|Tris(hydroxymethyl)nitromethane|UNII-3E794G4ZRB https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027034
ERPathway2016 ERPathway2016_1255 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 126-11-4 DTXSID8027034 ER Pathway Model, Agonist Model Score 0 Unitless OCC(CO)(CO)[N+]([O-])=O 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 126-11-4|2-(Hydroxymethyl)-2-nitro-1,3-propanediol|1,1,1-Tris(hydroxymethyl)nitromethane|1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-|2-(Hydroxymethyl)-2-nitropropanediol|2-Hydroxymethyl-2-nitro-1,3-propanediol|2-Hydroxymethyl-2-nitropropane-1,3-diol|Caswell No. 495|Cimcool wafers|EINECS 204-769-5|EPA Pesticide Chemical Code 083902|Isobutylglycerol, nitro-|Methane, trimethylolnitro-|Nitroisobutylglycerol|Nitromethylidynetrimethanol|Nitrotris(hydroxymethyl)methane|NSC 17675|Trihydroxymethylnitromethane|Tris nitro|Tris(hydroxymethyl)nitromethane|UNII-3E794G4ZRB https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027034
ERPathway2016 ERPathway2016_1255 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 126-11-4 DTXSID8027034 ER Pathway Model, Antagonist Model Score 0 Unitless OCC(CO)(CO)[N+]([O-])=O 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 126-11-4|2-(Hydroxymethyl)-2-nitro-1,3-propanediol|1,1,1-Tris(hydroxymethyl)nitromethane|1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-|2-(Hydroxymethyl)-2-nitropropanediol|2-Hydroxymethyl-2-nitro-1,3-propanediol|2-Hydroxymethyl-2-nitropropane-1,3-diol|Caswell No. 495|Cimcool wafers|EINECS 204-769-5|EPA Pesticide Chemical Code 083902|Isobutylglycerol, nitro-|Methane, trimethylolnitro-|Nitroisobutylglycerol|Nitromethylidynetrimethanol|Nitrotris(hydroxymethyl)methane|NSC 17675|Trihydroxymethylnitromethane|Tris nitro|Tris(hydroxymethyl)nitromethane|UNII-3E794G4ZRB https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027034
ERPathway2016 ERPathway2016_1255 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 126-11-4 DTXSID8027034 ER Pathway Model, Agonist Call Inactive Unitless OCC(CO)(CO)[N+]([O-])=O 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 126-11-4|2-(Hydroxymethyl)-2-nitro-1,3-propanediol|1,1,1-Tris(hydroxymethyl)nitromethane|1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-|2-(Hydroxymethyl)-2-nitropropanediol|2-Hydroxymethyl-2-nitro-1,3-propanediol|2-Hydroxymethyl-2-nitropropane-1,3-diol|Caswell No. 495|Cimcool wafers|EINECS 204-769-5|EPA Pesticide Chemical Code 083902|Isobutylglycerol, nitro-|Methane, trimethylolnitro-|Nitroisobutylglycerol|Nitromethylidynetrimethanol|Nitrotris(hydroxymethyl)methane|NSC 17675|Trihydroxymethylnitromethane|Tris nitro|Tris(hydroxymethyl)nitromethane|UNII-3E794G4ZRB https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027034
ERPathway2016 ERPathway2016_1255 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 126-11-4 DTXSID8027034 ER Pathway Model, Antagonist Call Inactive Unitless OCC(CO)(CO)[N+]([O-])=O 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 126-11-4|2-(Hydroxymethyl)-2-nitro-1,3-propanediol|1,1,1-Tris(hydroxymethyl)nitromethane|1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-|2-(Hydroxymethyl)-2-nitropropanediol|2-Hydroxymethyl-2-nitro-1,3-propanediol|2-Hydroxymethyl-2-nitropropane-1,3-diol|Caswell No. 495|Cimcool wafers|EINECS 204-769-5|EPA Pesticide Chemical Code 083902|Isobutylglycerol, nitro-|Methane, trimethylolnitro-|Nitroisobutylglycerol|Nitromethylidynetrimethanol|Nitrotris(hydroxymethyl)methane|NSC 17675|Trihydroxymethylnitromethane|Tris nitro|Tris(hydroxymethyl)nitromethane|UNII-3E794G4ZRB https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027034
ARPathway2016 ARPathway2016_409 2-(m-Chlorophenoxy)propionic acid 101-10-0 DTXSID9034232 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless CC(OC1=CC(Cl)=CC=C1)C(O)=O 2-(m-Chlorophenoxy)propionic acid 101-10-0|2-(m-Chlorophenoxy)propionic acid|2-(3-Chlorophenoxy)propanoic acid|2-(m-Chlorophenoxy)propionic acid|Amchem 3-CP|BRN 1876444|Caswell No. 206|Cloprop|EINECS 202-915-2|EPA Pesticide Chemical Code 021201|Fruitone CPA|Metachlorphenprop|UNII-28FLH86ZOS|87860-36-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034232
ARPathway2016 ARPathway2016_409 2-(m-Chlorophenoxy)propionic acid 101-10-0 DTXSID9034232 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CC(OC1=CC(Cl)=CC=C1)C(O)=O 2-(m-Chlorophenoxy)propionic acid 101-10-0|2-(m-Chlorophenoxy)propionic acid|2-(3-Chlorophenoxy)propanoic acid|2-(m-Chlorophenoxy)propionic acid|Amchem 3-CP|BRN 1876444|Caswell No. 206|Cloprop|EINECS 202-915-2|EPA Pesticide Chemical Code 021201|Fruitone CPA|Metachlorphenprop|UNII-28FLH86ZOS|87860-36-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034232
ARPathway2016 ARPathway2016_409 2-(m-Chlorophenoxy)propionic acid 101-10-0 DTXSID9034232 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Inactive Unitless CC(OC1=CC(Cl)=CC=C1)C(O)=O 2-(m-Chlorophenoxy)propionic acid 101-10-0|2-(m-Chlorophenoxy)propionic acid|2-(3-Chlorophenoxy)propanoic acid|2-(m-Chlorophenoxy)propionic acid|Amchem 3-CP|BRN 1876444|Caswell No. 206|Cloprop|EINECS 202-915-2|EPA Pesticide Chemical Code 021201|Fruitone CPA|Metachlorphenprop|UNII-28FLH86ZOS|87860-36-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034232
ARPathway2016 ARPathway2016_409 2-(m-Chlorophenoxy)propionic acid 101-10-0 DTXSID9034232 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CC(OC1=CC(Cl)=CC=C1)C(O)=O 2-(m-Chlorophenoxy)propionic acid 101-10-0|2-(m-Chlorophenoxy)propionic acid|2-(3-Chlorophenoxy)propanoic acid|2-(m-Chlorophenoxy)propionic acid|Amchem 3-CP|BRN 1876444|Caswell No. 206|Cloprop|EINECS 202-915-2|EPA Pesticide Chemical Code 021201|Fruitone CPA|Metachlorphenprop|UNII-28FLH86ZOS|87860-36-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034232
ERPathway2016 ERPathway2016_1061 2-(m-Chlorophenoxy)propionic acid 101-10-0 DTXSID9034232 ER Pathway Model, Agonist Model Score 0 Unitless CC(OC1=CC(Cl)=CC=C1)C(O)=O 2-(m-Chlorophenoxy)propionic acid 101-10-0|2-(m-Chlorophenoxy)propionic acid|2-(3-Chlorophenoxy)propanoic acid|2-(m-Chlorophenoxy)propionic acid|Amchem 3-CP|BRN 1876444|Caswell No. 206|Cloprop|EINECS 202-915-2|EPA Pesticide Chemical Code 021201|Fruitone CPA|Metachlorphenprop|UNII-28FLH86ZOS|87860-36-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034232
ERPathway2016 ERPathway2016_1061 2-(m-Chlorophenoxy)propionic acid 101-10-0 DTXSID9034232 ER Pathway Model, Antagonist Model Score 0 Unitless CC(OC1=CC(Cl)=CC=C1)C(O)=O 2-(m-Chlorophenoxy)propionic acid 101-10-0|2-(m-Chlorophenoxy)propionic acid|2-(3-Chlorophenoxy)propanoic acid|2-(m-Chlorophenoxy)propionic acid|Amchem 3-CP|BRN 1876444|Caswell No. 206|Cloprop|EINECS 202-915-2|EPA Pesticide Chemical Code 021201|Fruitone CPA|Metachlorphenprop|UNII-28FLH86ZOS|87860-36-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034232
ERPathway2016 ERPathway2016_1061 2-(m-Chlorophenoxy)propionic acid 101-10-0 DTXSID9034232 ER Pathway Model, Agonist Call Inactive Unitless CC(OC1=CC(Cl)=CC=C1)C(O)=O 2-(m-Chlorophenoxy)propionic acid 101-10-0|2-(m-Chlorophenoxy)propionic acid|2-(3-Chlorophenoxy)propanoic acid|2-(m-Chlorophenoxy)propionic acid|Amchem 3-CP|BRN 1876444|Caswell No. 206|Cloprop|EINECS 202-915-2|EPA Pesticide Chemical Code 021201|Fruitone CPA|Metachlorphenprop|UNII-28FLH86ZOS|87860-36-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034232
ERPathway2016 ERPathway2016_1061 2-(m-Chlorophenoxy)propionic acid 101-10-0 DTXSID9034232 ER Pathway Model, Antagonist Call Inactive Unitless CC(OC1=CC(Cl)=CC=C1)C(O)=O 2-(m-Chlorophenoxy)propionic acid 101-10-0|2-(m-Chlorophenoxy)propionic acid|2-(3-Chlorophenoxy)propanoic acid|2-(m-Chlorophenoxy)propionic acid|Amchem 3-CP|BRN 1876444|Caswell No. 206|Cloprop|EINECS 202-915-2|EPA Pesticide Chemical Code 021201|Fruitone CPA|Metachlorphenprop|UNII-28FLH86ZOS|87860-36-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034232
ARPathway2016 ARPathway2016_996 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8 DTXSID3047558 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8|2-(Perfluorohexyl)ethyl methacrylate|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, methacrylate|1,1,2,2-Tetrahydroperfluorooctyl methacrylate|1H,1H,2H,2H-Perfluorooctyl methacrylate|1H,1H,2H,2H-Tridecafluoro-1-octyl methacrylate|1H,1H,2H,2H-Tridecafluorooctyl methacrylate|2-(Perfluorohexyl)ethyl methacrylate|2-(Tridecafluorohexyl)ethyl methacrylate|2- Propenoic acid, 2- methyl- , 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- tridecafluorooctyl ester|218-407-9|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctylmethacrylat|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanyl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methylprop-2-enoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl methacrylate|6:2 Fluorotelomer methacrylate|6:2 FTMAC|Actyflon G 06B|C 6FMA|C 6SFMA|Capstone 62MA|Cheminox FAMAC 6|EC No.: 218-407-9|EIN|116426-23-4|1202243-70-6|1645304-87-5|1877330-13-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047558
ARPathway2016 ARPathway2016_996 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8 DTXSID3047558 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8|2-(Perfluorohexyl)ethyl methacrylate|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, methacrylate|1,1,2,2-Tetrahydroperfluorooctyl methacrylate|1H,1H,2H,2H-Perfluorooctyl methacrylate|1H,1H,2H,2H-Tridecafluoro-1-octyl methacrylate|1H,1H,2H,2H-Tridecafluorooctyl methacrylate|2-(Perfluorohexyl)ethyl methacrylate|2-(Tridecafluorohexyl)ethyl methacrylate|2- Propenoic acid, 2- methyl- , 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- tridecafluorooctyl ester|218-407-9|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctylmethacrylat|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanyl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methylprop-2-enoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl methacrylate|6:2 Fluorotelomer methacrylate|6:2 FTMAC|Actyflon G 06B|C 6FMA|C 6SFMA|Capstone 62MA|Cheminox FAMAC 6|EC No.: 218-407-9|EIN|116426-23-4|1202243-70-6|1645304-87-5|1877330-13-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047558
ARPathway2016 ARPathway2016_996 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8 DTXSID3047558 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8|2-(Perfluorohexyl)ethyl methacrylate|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, methacrylate|1,1,2,2-Tetrahydroperfluorooctyl methacrylate|1H,1H,2H,2H-Perfluorooctyl methacrylate|1H,1H,2H,2H-Tridecafluoro-1-octyl methacrylate|1H,1H,2H,2H-Tridecafluorooctyl methacrylate|2-(Perfluorohexyl)ethyl methacrylate|2-(Tridecafluorohexyl)ethyl methacrylate|2- Propenoic acid, 2- methyl- , 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- tridecafluorooctyl ester|218-407-9|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctylmethacrylat|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanyl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methylprop-2-enoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl methacrylate|6:2 Fluorotelomer methacrylate|6:2 FTMAC|Actyflon G 06B|C 6FMA|C 6SFMA|Capstone 62MA|Cheminox FAMAC 6|EC No.: 218-407-9|EIN|116426-23-4|1202243-70-6|1645304-87-5|1877330-13-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047558
ARPathway2016 ARPathway2016_996 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8 DTXSID3047558 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8|2-(Perfluorohexyl)ethyl methacrylate|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, methacrylate|1,1,2,2-Tetrahydroperfluorooctyl methacrylate|1H,1H,2H,2H-Perfluorooctyl methacrylate|1H,1H,2H,2H-Tridecafluoro-1-octyl methacrylate|1H,1H,2H,2H-Tridecafluorooctyl methacrylate|2-(Perfluorohexyl)ethyl methacrylate|2-(Tridecafluorohexyl)ethyl methacrylate|2- Propenoic acid, 2- methyl- , 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- tridecafluorooctyl ester|218-407-9|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctylmethacrylat|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanyl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methylprop-2-enoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl methacrylate|6:2 Fluorotelomer methacrylate|6:2 FTMAC|Actyflon G 06B|C 6FMA|C 6SFMA|Capstone 62MA|Cheminox FAMAC 6|EC No.: 218-407-9|EIN|116426-23-4|1202243-70-6|1645304-87-5|1877330-13-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047558
ERPathway2016 ERPathway2016_374 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8 DTXSID3047558 ER Pathway Model, Antagonist AC50 10.9929459738708 uM CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8|2-(Perfluorohexyl)ethyl methacrylate|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, methacrylate|1,1,2,2-Tetrahydroperfluorooctyl methacrylate|1H,1H,2H,2H-Perfluorooctyl methacrylate|1H,1H,2H,2H-Tridecafluoro-1-octyl methacrylate|1H,1H,2H,2H-Tridecafluorooctyl methacrylate|2-(Perfluorohexyl)ethyl methacrylate|2-(Tridecafluorohexyl)ethyl methacrylate|2- Propenoic acid, 2- methyl- , 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- tridecafluorooctyl ester|218-407-9|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctylmethacrylat|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanyl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methylprop-2-enoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl methacrylate|6:2 Fluorotelomer methacrylate|6:2 FTMAC|Actyflon G 06B|C 6FMA|C 6SFMA|Capstone 62MA|Cheminox FAMAC 6|EC No.: 218-407-9|EIN|116426-23-4|1202243-70-6|1645304-87-5|1877330-13-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047558
ERPathway2016 ERPathway2016_374 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8 DTXSID3047558 ER Pathway Model, Antagonist ACC 13.1935370846065 uM CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8|2-(Perfluorohexyl)ethyl methacrylate|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, methacrylate|1,1,2,2-Tetrahydroperfluorooctyl methacrylate|1H,1H,2H,2H-Perfluorooctyl methacrylate|1H,1H,2H,2H-Tridecafluoro-1-octyl methacrylate|1H,1H,2H,2H-Tridecafluorooctyl methacrylate|2-(Perfluorohexyl)ethyl methacrylate|2-(Tridecafluorohexyl)ethyl methacrylate|2- Propenoic acid, 2- methyl- , 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- tridecafluorooctyl ester|218-407-9|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctylmethacrylat|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanyl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methylprop-2-enoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl methacrylate|6:2 Fluorotelomer methacrylate|6:2 FTMAC|Actyflon G 06B|C 6FMA|C 6SFMA|Capstone 62MA|Cheminox FAMAC 6|EC No.: 218-407-9|EIN|116426-23-4|1202243-70-6|1645304-87-5|1877330-13-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047558
ERPathway2016 ERPathway2016_374 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8 DTXSID3047558 ER Pathway Model, Agonist Model Score 0.0134 Unitless CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8|2-(Perfluorohexyl)ethyl methacrylate|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, methacrylate|1,1,2,2-Tetrahydroperfluorooctyl methacrylate|1H,1H,2H,2H-Perfluorooctyl methacrylate|1H,1H,2H,2H-Tridecafluoro-1-octyl methacrylate|1H,1H,2H,2H-Tridecafluorooctyl methacrylate|2-(Perfluorohexyl)ethyl methacrylate|2-(Tridecafluorohexyl)ethyl methacrylate|2- Propenoic acid, 2- methyl- , 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- tridecafluorooctyl ester|218-407-9|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctylmethacrylat|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanyl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methylprop-2-enoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl methacrylate|6:2 Fluorotelomer methacrylate|6:2 FTMAC|Actyflon G 06B|C 6FMA|C 6SFMA|Capstone 62MA|Cheminox FAMAC 6|EC No.: 218-407-9|EIN|116426-23-4|1202243-70-6|1645304-87-5|1877330-13-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047558
ERPathway2016 ERPathway2016_374 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8 DTXSID3047558 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8|2-(Perfluorohexyl)ethyl methacrylate|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, methacrylate|1,1,2,2-Tetrahydroperfluorooctyl methacrylate|1H,1H,2H,2H-Perfluorooctyl methacrylate|1H,1H,2H,2H-Tridecafluoro-1-octyl methacrylate|1H,1H,2H,2H-Tridecafluorooctyl methacrylate|2-(Perfluorohexyl)ethyl methacrylate|2-(Tridecafluorohexyl)ethyl methacrylate|2- Propenoic acid, 2- methyl- , 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- tridecafluorooctyl ester|218-407-9|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctylmethacrylat|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanyl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methylprop-2-enoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl methacrylate|6:2 Fluorotelomer methacrylate|6:2 FTMAC|Actyflon G 06B|C 6FMA|C 6SFMA|Capstone 62MA|Cheminox FAMAC 6|EC No.: 218-407-9|EIN|116426-23-4|1202243-70-6|1645304-87-5|1877330-13-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047558
ERPathway2016 ERPathway2016_374 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8 DTXSID3047558 ER Pathway Model, Agonist Call Inactive Unitless CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8|2-(Perfluorohexyl)ethyl methacrylate|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, methacrylate|1,1,2,2-Tetrahydroperfluorooctyl methacrylate|1H,1H,2H,2H-Perfluorooctyl methacrylate|1H,1H,2H,2H-Tridecafluoro-1-octyl methacrylate|1H,1H,2H,2H-Tridecafluorooctyl methacrylate|2-(Perfluorohexyl)ethyl methacrylate|2-(Tridecafluorohexyl)ethyl methacrylate|2- Propenoic acid, 2- methyl- , 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- tridecafluorooctyl ester|218-407-9|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctylmethacrylat|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanyl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methylprop-2-enoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl methacrylate|6:2 Fluorotelomer methacrylate|6:2 FTMAC|Actyflon G 06B|C 6FMA|C 6SFMA|Capstone 62MA|Cheminox FAMAC 6|EC No.: 218-407-9|EIN|116426-23-4|1202243-70-6|1645304-87-5|1877330-13-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047558
ERPathway2016 ERPathway2016_374 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8 DTXSID3047558 ER Pathway Model, Antagonist Call Active Unitless CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2-(Perfluorohexyl)ethyl methacrylate 2144-53-8|2-(Perfluorohexyl)ethyl methacrylate|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, methacrylate|1,1,2,2-Tetrahydroperfluorooctyl methacrylate|1H,1H,2H,2H-Perfluorooctyl methacrylate|1H,1H,2H,2H-Tridecafluoro-1-octyl methacrylate|1H,1H,2H,2H-Tridecafluorooctyl methacrylate|2-(Perfluorohexyl)ethyl methacrylate|2-(Tridecafluorohexyl)ethyl methacrylate|2- Propenoic acid, 2- methyl- , 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- tridecafluorooctyl ester|218-407-9|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctylmethacrylat|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanyl methacrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methyl-2-propenoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methylprop-2-enoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl methacrylate|6:2 Fluorotelomer methacrylate|6:2 FTMAC|Actyflon G 06B|C 6FMA|C 6SFMA|Capstone 62MA|Cheminox FAMAC 6|EC No.: 218-407-9|EIN|116426-23-4|1202243-70-6|1645304-87-5|1877330-13-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047558
ARPathway2016 ARPathway2016_421 2-(Phenylmethylene)octanal 101-86-0 DTXSID4026684 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC(C=O)=CC1=CC=CC=C1 2-(Phenylmethylene)octanal 101-86-0|2-(Phenylmethylene)octanal|2-Benzylideneoctanal|2-Hexyl-3-phenyl-2-propenal|2-Hexylcinnamaldehyde|alpha-Hexyl-beta-phenylacrolein|alpha-Hexylcinnamaldehyde|alpha-Hexylcinnamic aldehyde|alpha-Hexylcinnamyl aldehyde|alpha-n-Hexyl-beta-phenylacrolein|Cinnamaldehyde, alpha-hexyl-|EINECS 202-983-3|FEMA No. 2569|Hexyl cinnamaldehyde|Hexyl cinnamic aldehyde|Hexyl cinnamic aldehyde (Octanal, 2-(phenylmethylene)-) (.alpha.-Hexylcinnamaldehyde)|NSC 406799|Octanal, 2-(phenylmethylene)-|UNII-7X6O37OK2I https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026684
ARPathway2016 ARPathway2016_421 2-(Phenylmethylene)octanal 101-86-0 DTXSID4026684 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCC(C=O)=CC1=CC=CC=C1 2-(Phenylmethylene)octanal 101-86-0|2-(Phenylmethylene)octanal|2-Benzylideneoctanal|2-Hexyl-3-phenyl-2-propenal|2-Hexylcinnamaldehyde|alpha-Hexyl-beta-phenylacrolein|alpha-Hexylcinnamaldehyde|alpha-Hexylcinnamic aldehyde|alpha-Hexylcinnamyl aldehyde|alpha-n-Hexyl-beta-phenylacrolein|Cinnamaldehyde, alpha-hexyl-|EINECS 202-983-3|FEMA No. 2569|Hexyl cinnamaldehyde|Hexyl cinnamic aldehyde|Hexyl cinnamic aldehyde (Octanal, 2-(phenylmethylene)-) (.alpha.-Hexylcinnamaldehyde)|NSC 406799|Octanal, 2-(phenylmethylene)-|UNII-7X6O37OK2I https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026684
ARPathway2016 ARPathway2016_421 2-(Phenylmethylene)octanal 101-86-0 DTXSID4026684 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCC(C=O)=CC1=CC=CC=C1 2-(Phenylmethylene)octanal 101-86-0|2-(Phenylmethylene)octanal|2-Benzylideneoctanal|2-Hexyl-3-phenyl-2-propenal|2-Hexylcinnamaldehyde|alpha-Hexyl-beta-phenylacrolein|alpha-Hexylcinnamaldehyde|alpha-Hexylcinnamic aldehyde|alpha-Hexylcinnamyl aldehyde|alpha-n-Hexyl-beta-phenylacrolein|Cinnamaldehyde, alpha-hexyl-|EINECS 202-983-3|FEMA No. 2569|Hexyl cinnamaldehyde|Hexyl cinnamic aldehyde|Hexyl cinnamic aldehyde (Octanal, 2-(phenylmethylene)-) (.alpha.-Hexylcinnamaldehyde)|NSC 406799|Octanal, 2-(phenylmethylene)-|UNII-7X6O37OK2I https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026684
ARPathway2016 ARPathway2016_421 2-(Phenylmethylene)octanal 101-86-0 DTXSID4026684 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCC(C=O)=CC1=CC=CC=C1 2-(Phenylmethylene)octanal 101-86-0|2-(Phenylmethylene)octanal|2-Benzylideneoctanal|2-Hexyl-3-phenyl-2-propenal|2-Hexylcinnamaldehyde|alpha-Hexyl-beta-phenylacrolein|alpha-Hexylcinnamaldehyde|alpha-Hexylcinnamic aldehyde|alpha-Hexylcinnamyl aldehyde|alpha-n-Hexyl-beta-phenylacrolein|Cinnamaldehyde, alpha-hexyl-|EINECS 202-983-3|FEMA No. 2569|Hexyl cinnamaldehyde|Hexyl cinnamic aldehyde|Hexyl cinnamic aldehyde (Octanal, 2-(phenylmethylene)-) (.alpha.-Hexylcinnamaldehyde)|NSC 406799|Octanal, 2-(phenylmethylene)-|UNII-7X6O37OK2I https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026684
ERPathway2016 ERPathway2016_393 2-(Phenylmethylene)octanal 101-86-0 DTXSID4026684 ER Pathway Model, Antagonist AC50 64.160245738986 uM CCCCCCC(C=O)=CC1=CC=CC=C1 2-(Phenylmethylene)octanal 101-86-0|2-(Phenylmethylene)octanal|2-Benzylideneoctanal|2-Hexyl-3-phenyl-2-propenal|2-Hexylcinnamaldehyde|alpha-Hexyl-beta-phenylacrolein|alpha-Hexylcinnamaldehyde|alpha-Hexylcinnamic aldehyde|alpha-Hexylcinnamyl aldehyde|alpha-n-Hexyl-beta-phenylacrolein|Cinnamaldehyde, alpha-hexyl-|EINECS 202-983-3|FEMA No. 2569|Hexyl cinnamaldehyde|Hexyl cinnamic aldehyde|Hexyl cinnamic aldehyde (Octanal, 2-(phenylmethylene)-) (.alpha.-Hexylcinnamaldehyde)|NSC 406799|Octanal, 2-(phenylmethylene)-|UNII-7X6O37OK2I https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026684
ERPathway2016 ERPathway2016_393 2-(Phenylmethylene)octanal 101-86-0 DTXSID4026684 ER Pathway Model, Antagonist ACC 68.0968267916156 uM CCCCCCC(C=O)=CC1=CC=CC=C1 2-(Phenylmethylene)octanal 101-86-0|2-(Phenylmethylene)octanal|2-Benzylideneoctanal|2-Hexyl-3-phenyl-2-propenal|2-Hexylcinnamaldehyde|alpha-Hexyl-beta-phenylacrolein|alpha-Hexylcinnamaldehyde|alpha-Hexylcinnamic aldehyde|alpha-Hexylcinnamyl aldehyde|alpha-n-Hexyl-beta-phenylacrolein|Cinnamaldehyde, alpha-hexyl-|EINECS 202-983-3|FEMA No. 2569|Hexyl cinnamaldehyde|Hexyl cinnamic aldehyde|Hexyl cinnamic aldehyde (Octanal, 2-(phenylmethylene)-) (.alpha.-Hexylcinnamaldehyde)|NSC 406799|Octanal, 2-(phenylmethylene)-|UNII-7X6O37OK2I https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026684
ERPathway2016 ERPathway2016_393 2-(Phenylmethylene)octanal 101-86-0 DTXSID4026684 ER Pathway Model, Agonist Model Score 0.00983 Unitless CCCCCCC(C=O)=CC1=CC=CC=C1 2-(Phenylmethylene)octanal 101-86-0|2-(Phenylmethylene)octanal|2-Benzylideneoctanal|2-Hexyl-3-phenyl-2-propenal|2-Hexylcinnamaldehyde|alpha-Hexyl-beta-phenylacrolein|alpha-Hexylcinnamaldehyde|alpha-Hexylcinnamic aldehyde|alpha-Hexylcinnamyl aldehyde|alpha-n-Hexyl-beta-phenylacrolein|Cinnamaldehyde, alpha-hexyl-|EINECS 202-983-3|FEMA No. 2569|Hexyl cinnamaldehyde|Hexyl cinnamic aldehyde|Hexyl cinnamic aldehyde (Octanal, 2-(phenylmethylene)-) (.alpha.-Hexylcinnamaldehyde)|NSC 406799|Octanal, 2-(phenylmethylene)-|UNII-7X6O37OK2I https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026684
ERPathway2016 ERPathway2016_393 2-(Phenylmethylene)octanal 101-86-0 DTXSID4026684 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC(C=O)=CC1=CC=CC=C1 2-(Phenylmethylene)octanal 101-86-0|2-(Phenylmethylene)octanal|2-Benzylideneoctanal|2-Hexyl-3-phenyl-2-propenal|2-Hexylcinnamaldehyde|alpha-Hexyl-beta-phenylacrolein|alpha-Hexylcinnamaldehyde|alpha-Hexylcinnamic aldehyde|alpha-Hexylcinnamyl aldehyde|alpha-n-Hexyl-beta-phenylacrolein|Cinnamaldehyde, alpha-hexyl-|EINECS 202-983-3|FEMA No. 2569|Hexyl cinnamaldehyde|Hexyl cinnamic aldehyde|Hexyl cinnamic aldehyde (Octanal, 2-(phenylmethylene)-) (.alpha.-Hexylcinnamaldehyde)|NSC 406799|Octanal, 2-(phenylmethylene)-|UNII-7X6O37OK2I https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026684
ERPathway2016 ERPathway2016_393 2-(Phenylmethylene)octanal 101-86-0 DTXSID4026684 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCC(C=O)=CC1=CC=CC=C1 2-(Phenylmethylene)octanal 101-86-0|2-(Phenylmethylene)octanal|2-Benzylideneoctanal|2-Hexyl-3-phenyl-2-propenal|2-Hexylcinnamaldehyde|alpha-Hexyl-beta-phenylacrolein|alpha-Hexylcinnamaldehyde|alpha-Hexylcinnamic aldehyde|alpha-Hexylcinnamyl aldehyde|alpha-n-Hexyl-beta-phenylacrolein|Cinnamaldehyde, alpha-hexyl-|EINECS 202-983-3|FEMA No. 2569|Hexyl cinnamaldehyde|Hexyl cinnamic aldehyde|Hexyl cinnamic aldehyde (Octanal, 2-(phenylmethylene)-) (.alpha.-Hexylcinnamaldehyde)|NSC 406799|Octanal, 2-(phenylmethylene)-|UNII-7X6O37OK2I https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026684
ERPathway2016 ERPathway2016_393 2-(Phenylmethylene)octanal 101-86-0 DTXSID4026684 ER Pathway Model, Antagonist Call Active Unitless CCCCCCC(C=O)=CC1=CC=CC=C1 2-(Phenylmethylene)octanal 101-86-0|2-(Phenylmethylene)octanal|2-Benzylideneoctanal|2-Hexyl-3-phenyl-2-propenal|2-Hexylcinnamaldehyde|alpha-Hexyl-beta-phenylacrolein|alpha-Hexylcinnamaldehyde|alpha-Hexylcinnamic aldehyde|alpha-Hexylcinnamyl aldehyde|alpha-n-Hexyl-beta-phenylacrolein|Cinnamaldehyde, alpha-hexyl-|EINECS 202-983-3|FEMA No. 2569|Hexyl cinnamaldehyde|Hexyl cinnamic aldehyde|Hexyl cinnamic aldehyde (Octanal, 2-(phenylmethylene)-) (.alpha.-Hexylcinnamaldehyde)|NSC 406799|Octanal, 2-(phenylmethylene)-|UNII-7X6O37OK2I https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026684
ARPathway2016 ARPathway2016_999 2-(Thiocyanomethylthio)benzothiazole 21564-17-0 DTXSID6032647 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless N#CSCSC1=NC2=CC=CC=C2S1 2-(Thiocyanomethylthio)benzothiazole 21564-17-0|2-(Thiocyanomethylthio)benzothiazole|(2-Benzothiazolylthio)methyl thiocyanate|2-((Thiocyanatomethyl)thio)benzothiazole|2-(Benzothiazolylthio)methyl thiocyanate|2-(Thiocyanomethylthio)benzothiazole, 60%|2-Thiocyanomethylthiobenzothiazole, 80%|2-Tiocianometiltiobenzotiazolo|2-Tiocianometiltiobenzotiazolo, 80%|AI3-29396-X|Alentisan|Benthiazole|Benthiazole 30%|Benzothiazole, 2-((thiocyanatomethyl)thio)-|BRN 1213014|Busan 1118|Busan 72|Busan 72A|Busan 80|Caswell No. 853A|EINECS 244-445-0|EPA Pesticide Chemical Code 035603|Ichiban|Protector 3L|Sancelant TMB|Superdavloxan|TCMTB|Tolcide 2230|UNII-5GE166YVQV|120946-97-6|56532-60-6|56996-45-3|6441-45-8|64441-44-7|64441-45-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032647 https://doi.org/10.22427/NTP-DATA-DTXSID6032647
ARPathway2016 ARPathway2016_999 2-(Thiocyanomethylthio)benzothiazole 21564-17-0 DTXSID6032647 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless N#CSCSC1=NC2=CC=CC=C2S1 2-(Thiocyanomethylthio)benzothiazole 21564-17-0|2-(Thiocyanomethylthio)benzothiazole|(2-Benzothiazolylthio)methyl thiocyanate|2-((Thiocyanatomethyl)thio)benzothiazole|2-(Benzothiazolylthio)methyl thiocyanate|2-(Thiocyanomethylthio)benzothiazole, 60%|2-Thiocyanomethylthiobenzothiazole, 80%|2-Tiocianometiltiobenzotiazolo|2-Tiocianometiltiobenzotiazolo, 80%|AI3-29396-X|Alentisan|Benthiazole|Benthiazole 30%|Benzothiazole, 2-((thiocyanatomethyl)thio)-|BRN 1213014|Busan 1118|Busan 72|Busan 72A|Busan 80|Caswell No. 853A|EINECS 244-445-0|EPA Pesticide Chemical Code 035603|Ichiban|Protector 3L|Sancelant TMB|Superdavloxan|TCMTB|Tolcide 2230|UNII-5GE166YVQV|120946-97-6|56532-60-6|56996-45-3|6441-45-8|64441-44-7|64441-45-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032647 https://doi.org/10.22427/NTP-DATA-DTXSID6032647
ARPathway2016 ARPathway2016_999 2-(Thiocyanomethylthio)benzothiazole 21564-17-0 DTXSID6032647 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless N#CSCSC1=NC2=CC=CC=C2S1 2-(Thiocyanomethylthio)benzothiazole 21564-17-0|2-(Thiocyanomethylthio)benzothiazole|(2-Benzothiazolylthio)methyl thiocyanate|2-((Thiocyanatomethyl)thio)benzothiazole|2-(Benzothiazolylthio)methyl thiocyanate|2-(Thiocyanomethylthio)benzothiazole, 60%|2-Thiocyanomethylthiobenzothiazole, 80%|2-Tiocianometiltiobenzotiazolo|2-Tiocianometiltiobenzotiazolo, 80%|AI3-29396-X|Alentisan|Benthiazole|Benthiazole 30%|Benzothiazole, 2-((thiocyanatomethyl)thio)-|BRN 1213014|Busan 1118|Busan 72|Busan 72A|Busan 80|Caswell No. 853A|EINECS 244-445-0|EPA Pesticide Chemical Code 035603|Ichiban|Protector 3L|Sancelant TMB|Superdavloxan|TCMTB|Tolcide 2230|UNII-5GE166YVQV|120946-97-6|56532-60-6|56996-45-3|6441-45-8|64441-44-7|64441-45-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032647 https://doi.org/10.22427/NTP-DATA-DTXSID6032647
ARPathway2016 ARPathway2016_999 2-(Thiocyanomethylthio)benzothiazole 21564-17-0 DTXSID6032647 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless N#CSCSC1=NC2=CC=CC=C2S1 2-(Thiocyanomethylthio)benzothiazole 21564-17-0|2-(Thiocyanomethylthio)benzothiazole|(2-Benzothiazolylthio)methyl thiocyanate|2-((Thiocyanatomethyl)thio)benzothiazole|2-(Benzothiazolylthio)methyl thiocyanate|2-(Thiocyanomethylthio)benzothiazole, 60%|2-Thiocyanomethylthiobenzothiazole, 80%|2-Tiocianometiltiobenzotiazolo|2-Tiocianometiltiobenzotiazolo, 80%|AI3-29396-X|Alentisan|Benthiazole|Benthiazole 30%|Benzothiazole, 2-((thiocyanatomethyl)thio)-|BRN 1213014|Busan 1118|Busan 72|Busan 72A|Busan 80|Caswell No. 853A|EINECS 244-445-0|EPA Pesticide Chemical Code 035603|Ichiban|Protector 3L|Sancelant TMB|Superdavloxan|TCMTB|Tolcide 2230|UNII-5GE166YVQV|120946-97-6|56532-60-6|56996-45-3|6441-45-8|64441-44-7|64441-45-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032647 https://doi.org/10.22427/NTP-DATA-DTXSID6032647
ERPathway2016 ERPathway2016_1378 2-(Thiocyanomethylthio)benzothiazole 21564-17-0 DTXSID6032647 ER Pathway Model, Agonist Model Score 0 Unitless N#CSCSC1=NC2=CC=CC=C2S1 2-(Thiocyanomethylthio)benzothiazole 21564-17-0|2-(Thiocyanomethylthio)benzothiazole|(2-Benzothiazolylthio)methyl thiocyanate|2-((Thiocyanatomethyl)thio)benzothiazole|2-(Benzothiazolylthio)methyl thiocyanate|2-(Thiocyanomethylthio)benzothiazole, 60%|2-Thiocyanomethylthiobenzothiazole, 80%|2-Tiocianometiltiobenzotiazolo|2-Tiocianometiltiobenzotiazolo, 80%|AI3-29396-X|Alentisan|Benthiazole|Benthiazole 30%|Benzothiazole, 2-((thiocyanatomethyl)thio)-|BRN 1213014|Busan 1118|Busan 72|Busan 72A|Busan 80|Caswell No. 853A|EINECS 244-445-0|EPA Pesticide Chemical Code 035603|Ichiban|Protector 3L|Sancelant TMB|Superdavloxan|TCMTB|Tolcide 2230|UNII-5GE166YVQV|120946-97-6|56532-60-6|56996-45-3|6441-45-8|64441-44-7|64441-45-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032647 https://doi.org/10.22427/NTP-DATA-DTXSID6032647
ERPathway2016 ERPathway2016_1378 2-(Thiocyanomethylthio)benzothiazole 21564-17-0 DTXSID6032647 ER Pathway Model, Antagonist Model Score 0 Unitless N#CSCSC1=NC2=CC=CC=C2S1 2-(Thiocyanomethylthio)benzothiazole 21564-17-0|2-(Thiocyanomethylthio)benzothiazole|(2-Benzothiazolylthio)methyl thiocyanate|2-((Thiocyanatomethyl)thio)benzothiazole|2-(Benzothiazolylthio)methyl thiocyanate|2-(Thiocyanomethylthio)benzothiazole, 60%|2-Thiocyanomethylthiobenzothiazole, 80%|2-Tiocianometiltiobenzotiazolo|2-Tiocianometiltiobenzotiazolo, 80%|AI3-29396-X|Alentisan|Benthiazole|Benthiazole 30%|Benzothiazole, 2-((thiocyanatomethyl)thio)-|BRN 1213014|Busan 1118|Busan 72|Busan 72A|Busan 80|Caswell No. 853A|EINECS 244-445-0|EPA Pesticide Chemical Code 035603|Ichiban|Protector 3L|Sancelant TMB|Superdavloxan|TCMTB|Tolcide 2230|UNII-5GE166YVQV|120946-97-6|56532-60-6|56996-45-3|6441-45-8|64441-44-7|64441-45-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032647 https://doi.org/10.22427/NTP-DATA-DTXSID6032647
ERPathway2016 ERPathway2016_1378 2-(Thiocyanomethylthio)benzothiazole 21564-17-0 DTXSID6032647 ER Pathway Model, Agonist Call Inactive Unitless N#CSCSC1=NC2=CC=CC=C2S1 2-(Thiocyanomethylthio)benzothiazole 21564-17-0|2-(Thiocyanomethylthio)benzothiazole|(2-Benzothiazolylthio)methyl thiocyanate|2-((Thiocyanatomethyl)thio)benzothiazole|2-(Benzothiazolylthio)methyl thiocyanate|2-(Thiocyanomethylthio)benzothiazole, 60%|2-Thiocyanomethylthiobenzothiazole, 80%|2-Tiocianometiltiobenzotiazolo|2-Tiocianometiltiobenzotiazolo, 80%|AI3-29396-X|Alentisan|Benthiazole|Benthiazole 30%|Benzothiazole, 2-((thiocyanatomethyl)thio)-|BRN 1213014|Busan 1118|Busan 72|Busan 72A|Busan 80|Caswell No. 853A|EINECS 244-445-0|EPA Pesticide Chemical Code 035603|Ichiban|Protector 3L|Sancelant TMB|Superdavloxan|TCMTB|Tolcide 2230|UNII-5GE166YVQV|120946-97-6|56532-60-6|56996-45-3|6441-45-8|64441-44-7|64441-45-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032647 https://doi.org/10.22427/NTP-DATA-DTXSID6032647
ERPathway2016 ERPathway2016_1378 2-(Thiocyanomethylthio)benzothiazole 21564-17-0 DTXSID6032647 ER Pathway Model, Antagonist Call Inactive Unitless N#CSCSC1=NC2=CC=CC=C2S1 2-(Thiocyanomethylthio)benzothiazole 21564-17-0|2-(Thiocyanomethylthio)benzothiazole|(2-Benzothiazolylthio)methyl thiocyanate|2-((Thiocyanatomethyl)thio)benzothiazole|2-(Benzothiazolylthio)methyl thiocyanate|2-(Thiocyanomethylthio)benzothiazole, 60%|2-Thiocyanomethylthiobenzothiazole, 80%|2-Tiocianometiltiobenzotiazolo|2-Tiocianometiltiobenzotiazolo, 80%|AI3-29396-X|Alentisan|Benthiazole|Benthiazole 30%|Benzothiazole, 2-((thiocyanatomethyl)thio)-|BRN 1213014|Busan 1118|Busan 72|Busan 72A|Busan 80|Caswell No. 853A|EINECS 244-445-0|EPA Pesticide Chemical Code 035603|Ichiban|Protector 3L|Sancelant TMB|Superdavloxan|TCMTB|Tolcide 2230|UNII-5GE166YVQV|120946-97-6|56532-60-6|56996-45-3|6441-45-8|64441-44-7|64441-45-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032647 https://doi.org/10.22427/NTP-DATA-DTXSID6032647
ARPathway2016 ARPathway2016_97 2,2'-(Tetradecylimino)diethanol 18924-66-8 DTXSID5044865 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 14.27571644 uM CCCCCCCCCCCCCCN(CCO)CCO 2,2'-(Tetradecylimino)diethanol 18924-66-8|2,2'-(Tetradecylimino)diethanol|EINECS 242-677-7|Ethanol, 2,2'-(tetradecylimino)bis-|N-Tetradecyl diethanolamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044865
ARPathway2016 ARPathway2016_97 2,2'-(Tetradecylimino)diethanol 18924-66-8 DTXSID5044865 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 10.94905595 uM CCCCCCCCCCCCCCN(CCO)CCO 2,2'-(Tetradecylimino)diethanol 18924-66-8|2,2'-(Tetradecylimino)diethanol|EINECS 242-677-7|Ethanol, 2,2'-(tetradecylimino)bis-|N-Tetradecyl diethanolamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044865
ARPathway2016 ARPathway2016_97 2,2'-(Tetradecylimino)diethanol 18924-66-8 DTXSID5044865 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.251 Unitless CCCCCCCCCCCCCCN(CCO)CCO 2,2'-(Tetradecylimino)diethanol 18924-66-8|2,2'-(Tetradecylimino)diethanol|EINECS 242-677-7|Ethanol, 2,2'-(tetradecylimino)bis-|N-Tetradecyl diethanolamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044865
ARPathway2016 ARPathway2016_97 2,2'-(Tetradecylimino)diethanol 18924-66-8 DTXSID5044865 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0.0164 Unitless CCCCCCCCCCCCCCN(CCO)CCO 2,2'-(Tetradecylimino)diethanol 18924-66-8|2,2'-(Tetradecylimino)diethanol|EINECS 242-677-7|Ethanol, 2,2'-(tetradecylimino)bis-|N-Tetradecyl diethanolamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044865
ARPathway2016 ARPathway2016_97 2,2'-(Tetradecylimino)diethanol 18924-66-8 DTXSID5044865 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCCCCCCCCCCCN(CCO)CCO 2,2'-(Tetradecylimino)diethanol 18924-66-8|2,2'-(Tetradecylimino)diethanol|EINECS 242-677-7|Ethanol, 2,2'-(tetradecylimino)bis-|N-Tetradecyl diethanolamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044865
ARPathway2016 ARPathway2016_97 2,2'-(Tetradecylimino)diethanol 18924-66-8 DTXSID5044865 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCCN(CCO)CCO 2,2'-(Tetradecylimino)diethanol 18924-66-8|2,2'-(Tetradecylimino)diethanol|EINECS 242-677-7|Ethanol, 2,2'-(tetradecylimino)bis-|N-Tetradecyl diethanolamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044865
ERPathway2016 ERPathway2016_120 2,2'-(Tetradecylimino)diethanol 18924-66-8 DTXSID5044865 ER Pathway Model, Agonist AC50 20.4865663916844 uM CCCCCCCCCCCCCCN(CCO)CCO 2,2'-(Tetradecylimino)diethanol 18924-66-8|2,2'-(Tetradecylimino)diethanol|EINECS 242-677-7|Ethanol, 2,2'-(tetradecylimino)bis-|N-Tetradecyl diethanolamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044865
ERPathway2016 ERPathway2016_120 2,2'-(Tetradecylimino)diethanol 18924-66-8 DTXSID5044865 ER Pathway Model, Agonist ACC 10.3856903363628 uM CCCCCCCCCCCCCCN(CCO)CCO 2,2'-(Tetradecylimino)diethanol 18924-66-8|2,2'-(Tetradecylimino)diethanol|EINECS 242-677-7|Ethanol, 2,2'-(tetradecylimino)bis-|N-Tetradecyl diethanolamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044865
ERPathway2016 ERPathway2016_120 2,2'-(Tetradecylimino)diethanol 18924-66-8 DTXSID5044865 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCCN(CCO)CCO 2,2'-(Tetradecylimino)diethanol 18924-66-8|2,2'-(Tetradecylimino)diethanol|EINECS 242-677-7|Ethanol, 2,2'-(tetradecylimino)bis-|N-Tetradecyl diethanolamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044865
ERPathway2016 ERPathway2016_120 2,2'-(Tetradecylimino)diethanol 18924-66-8 DTXSID5044865 ER Pathway Model, Antagonist Model Score 0.0742 Unitless CCCCCCCCCCCCCCN(CCO)CCO 2,2'-(Tetradecylimino)diethanol 18924-66-8|2,2'-(Tetradecylimino)diethanol|EINECS 242-677-7|Ethanol, 2,2'-(tetradecylimino)bis-|N-Tetradecyl diethanolamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044865
ERPathway2016 ERPathway2016_120 2,2'-(Tetradecylimino)diethanol 18924-66-8 DTXSID5044865 ER Pathway Model, Agonist Call Active Unitless CCCCCCCCCCCCCCN(CCO)CCO 2,2'-(Tetradecylimino)diethanol 18924-66-8|2,2'-(Tetradecylimino)diethanol|EINECS 242-677-7|Ethanol, 2,2'-(tetradecylimino)bis-|N-Tetradecyl diethanolamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044865
ERPathway2016 ERPathway2016_120 2,2'-(Tetradecylimino)diethanol 18924-66-8 DTXSID5044865 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCCN(CCO)CCO 2,2'-(Tetradecylimino)diethanol 18924-66-8|2,2'-(Tetradecylimino)diethanol|EINECS 242-677-7|Ethanol, 2,2'-(tetradecylimino)bis-|N-Tetradecyl diethanolamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044865
ARPathway2016 ARPathway2016_52 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5 DTXSID5041306 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 5.992535597 uM OC1=CC(O)=C(C=C1)C(=O)C1=CC=C(O)C=C1O 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5|2,2',4,4'-Tetrahydroxybenzophenone|2,2',4,4'-Hydroxybenophenone|2,2',4,4'-tetrahidroxibenzofenona|2,2',4,4'-Tetrahydroxy diphenyl ketone|2,2',4,4'-Tetrahydroxy-benzophenone|2,2',4,4'-Tetrahydroxybenzophenon|2,4,2',4'-Tetrahydroxybenzophenone|Benzophenone 2|BENZOPHENONE-2|BENZOPHENONE, 2,2',4,4'-TETRAHYDROXY-|Bis(2,4-dihydroxyphenyl)methanone|BRN 1914746|Dainsorb P 6|EINECS 205-028-9|Methanone, bis(2,4-dihydroxyphenyl)-|NSC 38556|Seesorb 106|Sumisorb 150|UNII-PRR8K3H9VN|Uvinol D-50|Uvinul 3050|Uvinul D 50|Uvinul D-50|53236-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041306
ARPathway2016 ARPathway2016_52 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5 DTXSID5041306 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 10.53998791 uM OC1=CC(O)=C(C=C1)C(=O)C1=CC=C(O)C=C1O 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5|2,2',4,4'-Tetrahydroxybenzophenone|2,2',4,4'-Hydroxybenophenone|2,2',4,4'-tetrahidroxibenzofenona|2,2',4,4'-Tetrahydroxy diphenyl ketone|2,2',4,4'-Tetrahydroxy-benzophenone|2,2',4,4'-Tetrahydroxybenzophenon|2,4,2',4'-Tetrahydroxybenzophenone|Benzophenone 2|BENZOPHENONE-2|BENZOPHENONE, 2,2',4,4'-TETRAHYDROXY-|Bis(2,4-dihydroxyphenyl)methanone|BRN 1914746|Dainsorb P 6|EINECS 205-028-9|Methanone, bis(2,4-dihydroxyphenyl)-|NSC 38556|Seesorb 106|Sumisorb 150|UNII-PRR8K3H9VN|Uvinol D-50|Uvinul 3050|Uvinul D 50|Uvinul D-50|53236-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041306
ARPathway2016 ARPathway2016_52 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5 DTXSID5041306 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.448 Unitless OC1=CC(O)=C(C=C1)C(=O)C1=CC=C(O)C=C1O 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5|2,2',4,4'-Tetrahydroxybenzophenone|2,2',4,4'-Hydroxybenophenone|2,2',4,4'-tetrahidroxibenzofenona|2,2',4,4'-Tetrahydroxy diphenyl ketone|2,2',4,4'-Tetrahydroxy-benzophenone|2,2',4,4'-Tetrahydroxybenzophenon|2,4,2',4'-Tetrahydroxybenzophenone|Benzophenone 2|BENZOPHENONE-2|BENZOPHENONE, 2,2',4,4'-TETRAHYDROXY-|Bis(2,4-dihydroxyphenyl)methanone|BRN 1914746|Dainsorb P 6|EINECS 205-028-9|Methanone, bis(2,4-dihydroxyphenyl)-|NSC 38556|Seesorb 106|Sumisorb 150|UNII-PRR8K3H9VN|Uvinol D-50|Uvinul 3050|Uvinul D 50|Uvinul D-50|53236-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041306
ARPathway2016 ARPathway2016_52 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5 DTXSID5041306 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0.00909 Unitless OC1=CC(O)=C(C=C1)C(=O)C1=CC=C(O)C=C1O 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5|2,2',4,4'-Tetrahydroxybenzophenone|2,2',4,4'-Hydroxybenophenone|2,2',4,4'-tetrahidroxibenzofenona|2,2',4,4'-Tetrahydroxy diphenyl ketone|2,2',4,4'-Tetrahydroxy-benzophenone|2,2',4,4'-Tetrahydroxybenzophenon|2,4,2',4'-Tetrahydroxybenzophenone|Benzophenone 2|BENZOPHENONE-2|BENZOPHENONE, 2,2',4,4'-TETRAHYDROXY-|Bis(2,4-dihydroxyphenyl)methanone|BRN 1914746|Dainsorb P 6|EINECS 205-028-9|Methanone, bis(2,4-dihydroxyphenyl)-|NSC 38556|Seesorb 106|Sumisorb 150|UNII-PRR8K3H9VN|Uvinol D-50|Uvinul 3050|Uvinul D 50|Uvinul D-50|53236-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041306
ARPathway2016 ARPathway2016_52 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5 DTXSID5041306 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=CC(O)=C(C=C1)C(=O)C1=CC=C(O)C=C1O 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5|2,2',4,4'-Tetrahydroxybenzophenone|2,2',4,4'-Hydroxybenophenone|2,2',4,4'-tetrahidroxibenzofenona|2,2',4,4'-Tetrahydroxy diphenyl ketone|2,2',4,4'-Tetrahydroxy-benzophenone|2,2',4,4'-Tetrahydroxybenzophenon|2,4,2',4'-Tetrahydroxybenzophenone|Benzophenone 2|BENZOPHENONE-2|BENZOPHENONE, 2,2',4,4'-TETRAHYDROXY-|Bis(2,4-dihydroxyphenyl)methanone|BRN 1914746|Dainsorb P 6|EINECS 205-028-9|Methanone, bis(2,4-dihydroxyphenyl)-|NSC 38556|Seesorb 106|Sumisorb 150|UNII-PRR8K3H9VN|Uvinol D-50|Uvinul 3050|Uvinul D 50|Uvinul D-50|53236-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041306
ARPathway2016 ARPathway2016_52 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5 DTXSID5041306 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC(O)=C(C=C1)C(=O)C1=CC=C(O)C=C1O 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5|2,2',4,4'-Tetrahydroxybenzophenone|2,2',4,4'-Hydroxybenophenone|2,2',4,4'-tetrahidroxibenzofenona|2,2',4,4'-Tetrahydroxy diphenyl ketone|2,2',4,4'-Tetrahydroxy-benzophenone|2,2',4,4'-Tetrahydroxybenzophenon|2,4,2',4'-Tetrahydroxybenzophenone|Benzophenone 2|BENZOPHENONE-2|BENZOPHENONE, 2,2',4,4'-TETRAHYDROXY-|Bis(2,4-dihydroxyphenyl)methanone|BRN 1914746|Dainsorb P 6|EINECS 205-028-9|Methanone, bis(2,4-dihydroxyphenyl)-|NSC 38556|Seesorb 106|Sumisorb 150|UNII-PRR8K3H9VN|Uvinol D-50|Uvinul 3050|Uvinul D 50|Uvinul D-50|53236-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041306
ERPathway2016 ERPathway2016_167 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5 DTXSID5041306 Agonist ER Pathway Model, Antagonist AC50 1.75364714262133 uM OC1=CC(O)=C(C=C1)C(=O)C1=CC=C(O)C=C1O 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5|2,2',4,4'-Tetrahydroxybenzophenone|2,2',4,4'-Hydroxybenophenone|2,2',4,4'-tetrahidroxibenzofenona|2,2',4,4'-Tetrahydroxy diphenyl ketone|2,2',4,4'-Tetrahydroxy-benzophenone|2,2',4,4'-Tetrahydroxybenzophenon|2,4,2',4'-Tetrahydroxybenzophenone|Benzophenone 2|BENZOPHENONE-2|BENZOPHENONE, 2,2',4,4'-TETRAHYDROXY-|Bis(2,4-dihydroxyphenyl)methanone|BRN 1914746|Dainsorb P 6|EINECS 205-028-9|Methanone, bis(2,4-dihydroxyphenyl)-|NSC 38556|Seesorb 106|Sumisorb 150|UNII-PRR8K3H9VN|Uvinol D-50|Uvinul 3050|Uvinul D 50|Uvinul D-50|53236-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041306
ERPathway2016 ERPathway2016_167 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5 DTXSID5041306 Agonist ER Pathway Model, Antagonist ACC 0.94227658039805 uM OC1=CC(O)=C(C=C1)C(=O)C1=CC=C(O)C=C1O 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5|2,2',4,4'-Tetrahydroxybenzophenone|2,2',4,4'-Hydroxybenophenone|2,2',4,4'-tetrahidroxibenzofenona|2,2',4,4'-Tetrahydroxy diphenyl ketone|2,2',4,4'-Tetrahydroxy-benzophenone|2,2',4,4'-Tetrahydroxybenzophenon|2,4,2',4'-Tetrahydroxybenzophenone|Benzophenone 2|BENZOPHENONE-2|BENZOPHENONE, 2,2',4,4'-TETRAHYDROXY-|Bis(2,4-dihydroxyphenyl)methanone|BRN 1914746|Dainsorb P 6|EINECS 205-028-9|Methanone, bis(2,4-dihydroxyphenyl)-|NSC 38556|Seesorb 106|Sumisorb 150|UNII-PRR8K3H9VN|Uvinol D-50|Uvinul 3050|Uvinul D 50|Uvinul D-50|53236-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041306
ERPathway2016 ERPathway2016_167 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5 DTXSID5041306 Agonist ER Pathway Model, Agonist Model Score 0.397 Unitless OC1=CC(O)=C(C=C1)C(=O)C1=CC=C(O)C=C1O 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5|2,2',4,4'-Tetrahydroxybenzophenone|2,2',4,4'-Hydroxybenophenone|2,2',4,4'-tetrahidroxibenzofenona|2,2',4,4'-Tetrahydroxy diphenyl ketone|2,2',4,4'-Tetrahydroxy-benzophenone|2,2',4,4'-Tetrahydroxybenzophenon|2,4,2',4'-Tetrahydroxybenzophenone|Benzophenone 2|BENZOPHENONE-2|BENZOPHENONE, 2,2',4,4'-TETRAHYDROXY-|Bis(2,4-dihydroxyphenyl)methanone|BRN 1914746|Dainsorb P 6|EINECS 205-028-9|Methanone, bis(2,4-dihydroxyphenyl)-|NSC 38556|Seesorb 106|Sumisorb 150|UNII-PRR8K3H9VN|Uvinol D-50|Uvinul 3050|Uvinul D 50|Uvinul D-50|53236-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041306
ERPathway2016 ERPathway2016_167 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5 DTXSID5041306 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC(O)=C(C=C1)C(=O)C1=CC=C(O)C=C1O 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5|2,2',4,4'-Tetrahydroxybenzophenone|2,2',4,4'-Hydroxybenophenone|2,2',4,4'-tetrahidroxibenzofenona|2,2',4,4'-Tetrahydroxy diphenyl ketone|2,2',4,4'-Tetrahydroxy-benzophenone|2,2',4,4'-Tetrahydroxybenzophenon|2,4,2',4'-Tetrahydroxybenzophenone|Benzophenone 2|BENZOPHENONE-2|BENZOPHENONE, 2,2',4,4'-TETRAHYDROXY-|Bis(2,4-dihydroxyphenyl)methanone|BRN 1914746|Dainsorb P 6|EINECS 205-028-9|Methanone, bis(2,4-dihydroxyphenyl)-|NSC 38556|Seesorb 106|Sumisorb 150|UNII-PRR8K3H9VN|Uvinol D-50|Uvinul 3050|Uvinul D 50|Uvinul D-50|53236-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041306
ERPathway2016 ERPathway2016_167 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5 DTXSID5041306 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC1=CC(O)=C(C=C1)C(=O)C1=CC=C(O)C=C1O 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5|2,2',4,4'-Tetrahydroxybenzophenone|2,2',4,4'-Hydroxybenophenone|2,2',4,4'-tetrahidroxibenzofenona|2,2',4,4'-Tetrahydroxy diphenyl ketone|2,2',4,4'-Tetrahydroxy-benzophenone|2,2',4,4'-Tetrahydroxybenzophenon|2,4,2',4'-Tetrahydroxybenzophenone|Benzophenone 2|BENZOPHENONE-2|BENZOPHENONE, 2,2',4,4'-TETRAHYDROXY-|Bis(2,4-dihydroxyphenyl)methanone|BRN 1914746|Dainsorb P 6|EINECS 205-028-9|Methanone, bis(2,4-dihydroxyphenyl)-|NSC 38556|Seesorb 106|Sumisorb 150|UNII-PRR8K3H9VN|Uvinol D-50|Uvinul 3050|Uvinul D 50|Uvinul D-50|53236-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041306
ERPathway2016 ERPathway2016_167 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5 DTXSID5041306 Agonist ER Pathway Model, Antagonist Call Active Unitless OC1=CC(O)=C(C=C1)C(=O)C1=CC=C(O)C=C1O 2,2',4,4'-Tetrahydroxybenzophenone 131-55-5|2,2',4,4'-Tetrahydroxybenzophenone|2,2',4,4'-Hydroxybenophenone|2,2',4,4'-tetrahidroxibenzofenona|2,2',4,4'-Tetrahydroxy diphenyl ketone|2,2',4,4'-Tetrahydroxy-benzophenone|2,2',4,4'-Tetrahydroxybenzophenon|2,4,2',4'-Tetrahydroxybenzophenone|Benzophenone 2|BENZOPHENONE-2|BENZOPHENONE, 2,2',4,4'-TETRAHYDROXY-|Bis(2,4-dihydroxyphenyl)methanone|BRN 1914746|Dainsorb P 6|EINECS 205-028-9|Methanone, bis(2,4-dihydroxyphenyl)-|NSC 38556|Seesorb 106|Sumisorb 150|UNII-PRR8K3H9VN|Uvinol D-50|Uvinul 3050|Uvinul D 50|Uvinul D-50|53236-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041306
ARPathway2016 ARPathway2016_1483 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0 DTXSID1027635 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0|2,2,4-Trimethyl-1,3-pentanediol diisobutyrate|1-Isopropyl-2,2-dimethyltrimethylendiisobutyrat|1-isopropyl-2,2-dimethyltrimethylene diisobutyrate|2-Methylpropanoic acid 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|2,2,4-TRIMETHYL-1,3-PENTANDIOL-DIISOBUTYRAT|2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate)|2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate|2,2,4-Trimethylpentanediol-1,3-diisobutyrate|BRN 1878083|diisobutirato de 1-isopropil-2,2-dimetiltrimetileno|Diisobutyrate de 1-isopropyl-2,2-dimethyltrimethylene|DIISOBUTYRATE, 2,2,4-TRIMETHYL-1,3-PENTANEDIYL|Eastman TXIB|EINECS 229-934-9|Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester|Kodaflex TXIB|Kyowanol D|Kyowanol M|Optifilm Enhancer 300|Propanoic acid, 2-methyl-, 1,1'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester|Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|PROPANOIC ACID, 2-METHYL-2,2-DIMETHYL-1-(1- METHYLETHYL)-1,3-PROPANEDIYL ESTER|Texanol isobutyrate|UNII-4KZA479DWQ|53490-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027635
ARPathway2016 ARPathway2016_1483 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0 DTXSID1027635 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0|2,2,4-Trimethyl-1,3-pentanediol diisobutyrate|1-Isopropyl-2,2-dimethyltrimethylendiisobutyrat|1-isopropyl-2,2-dimethyltrimethylene diisobutyrate|2-Methylpropanoic acid 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|2,2,4-TRIMETHYL-1,3-PENTANDIOL-DIISOBUTYRAT|2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate)|2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate|2,2,4-Trimethylpentanediol-1,3-diisobutyrate|BRN 1878083|diisobutirato de 1-isopropil-2,2-dimetiltrimetileno|Diisobutyrate de 1-isopropyl-2,2-dimethyltrimethylene|DIISOBUTYRATE, 2,2,4-TRIMETHYL-1,3-PENTANEDIYL|Eastman TXIB|EINECS 229-934-9|Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester|Kodaflex TXIB|Kyowanol D|Kyowanol M|Optifilm Enhancer 300|Propanoic acid, 2-methyl-, 1,1'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester|Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|PROPANOIC ACID, 2-METHYL-2,2-DIMETHYL-1-(1- METHYLETHYL)-1,3-PROPANEDIYL ESTER|Texanol isobutyrate|UNII-4KZA479DWQ|53490-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027635
ARPathway2016 ARPathway2016_1483 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0 DTXSID1027635 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0|2,2,4-Trimethyl-1,3-pentanediol diisobutyrate|1-Isopropyl-2,2-dimethyltrimethylendiisobutyrat|1-isopropyl-2,2-dimethyltrimethylene diisobutyrate|2-Methylpropanoic acid 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|2,2,4-TRIMETHYL-1,3-PENTANDIOL-DIISOBUTYRAT|2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate)|2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate|2,2,4-Trimethylpentanediol-1,3-diisobutyrate|BRN 1878083|diisobutirato de 1-isopropil-2,2-dimetiltrimetileno|Diisobutyrate de 1-isopropyl-2,2-dimethyltrimethylene|DIISOBUTYRATE, 2,2,4-TRIMETHYL-1,3-PENTANEDIYL|Eastman TXIB|EINECS 229-934-9|Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester|Kodaflex TXIB|Kyowanol D|Kyowanol M|Optifilm Enhancer 300|Propanoic acid, 2-methyl-, 1,1'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester|Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|PROPANOIC ACID, 2-METHYL-2,2-DIMETHYL-1-(1- METHYLETHYL)-1,3-PROPANEDIYL ESTER|Texanol isobutyrate|UNII-4KZA479DWQ|53490-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027635
ARPathway2016 ARPathway2016_1483 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0 DTXSID1027635 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0|2,2,4-Trimethyl-1,3-pentanediol diisobutyrate|1-Isopropyl-2,2-dimethyltrimethylendiisobutyrat|1-isopropyl-2,2-dimethyltrimethylene diisobutyrate|2-Methylpropanoic acid 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|2,2,4-TRIMETHYL-1,3-PENTANDIOL-DIISOBUTYRAT|2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate)|2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate|2,2,4-Trimethylpentanediol-1,3-diisobutyrate|BRN 1878083|diisobutirato de 1-isopropil-2,2-dimetiltrimetileno|Diisobutyrate de 1-isopropyl-2,2-dimethyltrimethylene|DIISOBUTYRATE, 2,2,4-TRIMETHYL-1,3-PENTANEDIYL|Eastman TXIB|EINECS 229-934-9|Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester|Kodaflex TXIB|Kyowanol D|Kyowanol M|Optifilm Enhancer 300|Propanoic acid, 2-methyl-, 1,1'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester|Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|PROPANOIC ACID, 2-METHYL-2,2-DIMETHYL-1-(1- METHYLETHYL)-1,3-PROPANEDIYL ESTER|Texanol isobutyrate|UNII-4KZA479DWQ|53490-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027635
ERPathway2016 ERPathway2016_316 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0 DTXSID1027635 A15 ER Pathway Model, Antagonist AC50 38.1083550514171 uM CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0|2,2,4-Trimethyl-1,3-pentanediol diisobutyrate|1-Isopropyl-2,2-dimethyltrimethylendiisobutyrat|1-isopropyl-2,2-dimethyltrimethylene diisobutyrate|2-Methylpropanoic acid 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|2,2,4-TRIMETHYL-1,3-PENTANDIOL-DIISOBUTYRAT|2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate)|2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate|2,2,4-Trimethylpentanediol-1,3-diisobutyrate|BRN 1878083|diisobutirato de 1-isopropil-2,2-dimetiltrimetileno|Diisobutyrate de 1-isopropyl-2,2-dimethyltrimethylene|DIISOBUTYRATE, 2,2,4-TRIMETHYL-1,3-PENTANEDIYL|Eastman TXIB|EINECS 229-934-9|Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester|Kodaflex TXIB|Kyowanol D|Kyowanol M|Optifilm Enhancer 300|Propanoic acid, 2-methyl-, 1,1'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester|Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|PROPANOIC ACID, 2-METHYL-2,2-DIMETHYL-1-(1- METHYLETHYL)-1,3-PROPANEDIYL ESTER|Texanol isobutyrate|UNII-4KZA479DWQ|53490-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027635
ERPathway2016 ERPathway2016_316 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0 DTXSID1027635 A15 ER Pathway Model, Antagonist ACC 21.7940613091771 uM CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0|2,2,4-Trimethyl-1,3-pentanediol diisobutyrate|1-Isopropyl-2,2-dimethyltrimethylendiisobutyrat|1-isopropyl-2,2-dimethyltrimethylene diisobutyrate|2-Methylpropanoic acid 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|2,2,4-TRIMETHYL-1,3-PENTANDIOL-DIISOBUTYRAT|2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate)|2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate|2,2,4-Trimethylpentanediol-1,3-diisobutyrate|BRN 1878083|diisobutirato de 1-isopropil-2,2-dimetiltrimetileno|Diisobutyrate de 1-isopropyl-2,2-dimethyltrimethylene|DIISOBUTYRATE, 2,2,4-TRIMETHYL-1,3-PENTANEDIYL|Eastman TXIB|EINECS 229-934-9|Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester|Kodaflex TXIB|Kyowanol D|Kyowanol M|Optifilm Enhancer 300|Propanoic acid, 2-methyl-, 1,1'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester|Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|PROPANOIC ACID, 2-METHYL-2,2-DIMETHYL-1-(1- METHYLETHYL)-1,3-PROPANEDIYL ESTER|Texanol isobutyrate|UNII-4KZA479DWQ|53490-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027635
ERPathway2016 ERPathway2016_316 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0 DTXSID1027635 A15 ER Pathway Model, Agonist Model Score 0.0272 Unitless CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0|2,2,4-Trimethyl-1,3-pentanediol diisobutyrate|1-Isopropyl-2,2-dimethyltrimethylendiisobutyrat|1-isopropyl-2,2-dimethyltrimethylene diisobutyrate|2-Methylpropanoic acid 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|2,2,4-TRIMETHYL-1,3-PENTANDIOL-DIISOBUTYRAT|2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate)|2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate|2,2,4-Trimethylpentanediol-1,3-diisobutyrate|BRN 1878083|diisobutirato de 1-isopropil-2,2-dimetiltrimetileno|Diisobutyrate de 1-isopropyl-2,2-dimethyltrimethylene|DIISOBUTYRATE, 2,2,4-TRIMETHYL-1,3-PENTANEDIYL|Eastman TXIB|EINECS 229-934-9|Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester|Kodaflex TXIB|Kyowanol D|Kyowanol M|Optifilm Enhancer 300|Propanoic acid, 2-methyl-, 1,1'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester|Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|PROPANOIC ACID, 2-METHYL-2,2-DIMETHYL-1-(1- METHYLETHYL)-1,3-PROPANEDIYL ESTER|Texanol isobutyrate|UNII-4KZA479DWQ|53490-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027635
ERPathway2016 ERPathway2016_316 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0 DTXSID1027635 A15 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0|2,2,4-Trimethyl-1,3-pentanediol diisobutyrate|1-Isopropyl-2,2-dimethyltrimethylendiisobutyrat|1-isopropyl-2,2-dimethyltrimethylene diisobutyrate|2-Methylpropanoic acid 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|2,2,4-TRIMETHYL-1,3-PENTANDIOL-DIISOBUTYRAT|2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate)|2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate|2,2,4-Trimethylpentanediol-1,3-diisobutyrate|BRN 1878083|diisobutirato de 1-isopropil-2,2-dimetiltrimetileno|Diisobutyrate de 1-isopropyl-2,2-dimethyltrimethylene|DIISOBUTYRATE, 2,2,4-TRIMETHYL-1,3-PENTANEDIYL|Eastman TXIB|EINECS 229-934-9|Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester|Kodaflex TXIB|Kyowanol D|Kyowanol M|Optifilm Enhancer 300|Propanoic acid, 2-methyl-, 1,1'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester|Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|PROPANOIC ACID, 2-METHYL-2,2-DIMETHYL-1-(1- METHYLETHYL)-1,3-PROPANEDIYL ESTER|Texanol isobutyrate|UNII-4KZA479DWQ|53490-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027635
ERPathway2016 ERPathway2016_316 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0 DTXSID1027635 A15 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0|2,2,4-Trimethyl-1,3-pentanediol diisobutyrate|1-Isopropyl-2,2-dimethyltrimethylendiisobutyrat|1-isopropyl-2,2-dimethyltrimethylene diisobutyrate|2-Methylpropanoic acid 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|2,2,4-TRIMETHYL-1,3-PENTANDIOL-DIISOBUTYRAT|2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate)|2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate|2,2,4-Trimethylpentanediol-1,3-diisobutyrate|BRN 1878083|diisobutirato de 1-isopropil-2,2-dimetiltrimetileno|Diisobutyrate de 1-isopropyl-2,2-dimethyltrimethylene|DIISOBUTYRATE, 2,2,4-TRIMETHYL-1,3-PENTANEDIYL|Eastman TXIB|EINECS 229-934-9|Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester|Kodaflex TXIB|Kyowanol D|Kyowanol M|Optifilm Enhancer 300|Propanoic acid, 2-methyl-, 1,1'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester|Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|PROPANOIC ACID, 2-METHYL-2,2-DIMETHYL-1-(1- METHYLETHYL)-1,3-PROPANEDIYL ESTER|Texanol isobutyrate|UNII-4KZA479DWQ|53490-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027635
ERPathway2016 ERPathway2016_316 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0 DTXSID1027635 A15 ER Pathway Model, Antagonist Call Active Unitless CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0|2,2,4-Trimethyl-1,3-pentanediol diisobutyrate|1-Isopropyl-2,2-dimethyltrimethylendiisobutyrat|1-isopropyl-2,2-dimethyltrimethylene diisobutyrate|2-Methylpropanoic acid 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|2,2,4-TRIMETHYL-1,3-PENTANDIOL-DIISOBUTYRAT|2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate)|2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate|2,2,4-Trimethylpentanediol-1,3-diisobutyrate|BRN 1878083|diisobutirato de 1-isopropil-2,2-dimetiltrimetileno|Diisobutyrate de 1-isopropyl-2,2-dimethyltrimethylene|DIISOBUTYRATE, 2,2,4-TRIMETHYL-1,3-PENTANEDIYL|Eastman TXIB|EINECS 229-934-9|Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester|Kodaflex TXIB|Kyowanol D|Kyowanol M|Optifilm Enhancer 300|Propanoic acid, 2-methyl-, 1,1'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester|Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester|PROPANOIC ACID, 2-METHYL-2,2-DIMETHYL-1-(1- METHYLETHYL)-1,3-PROPANEDIYL ESTER|Texanol isobutyrate|UNII-4KZA479DWQ|53490-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027635
ARPathway2016 ARPathway2016_283 2,2',6,6'-Tetrachlorobisphenol A 79-95-8 DTXSID3021770 1.0 R3 AR Pathway Model, Agonist AC50 21.78064754 uM CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1)C1=CC(Cl)=C(O)C(Cl)=C1 2,2',6,6'-Tetrachlorobisphenol A 79-95-8|2,2',6,6'-Tetrachlorobisphenol A|(4,4'-isopropylidenebis(2,6-dichlorophenol)|2,2-Bis(3,5-dichloro-4- hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-oxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane|2,2-Bis[3,5-dichloro-4-oxyphenyl]propane|2,2',6,6'-Tetrachlor-4,4'-isopropylidendiphenol|2,2',6,6'-tetrachloro-4,4'-isopropylidenediphenol|2,2',6,6'-tetracloro-4,4'-isopropilidendifenol|3-06-00-05462|3,3',5,5'-Tetrachlorobisphenol A|3,5,3',5'-Tetrachlorobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dichlorophenol)|4,4'-(1-Methylethylidene)bis[2,6-dichlorophenol]|4,4'-Isopropylidenebis(2,6-dichlorophenol)|4,4'-Isopropylidenebis[2,6-dichlorophenol]|BRN 2059573|EINECS 201-237-4|NSC 18248|NSC 67465|Phenol, 4,4'-(1-methylethylidene)bis(dichloro-|Phenol, 4,4'-(1-methylethylidene)bis[2,6-dichloro-|Phenol, 4,4'-isopropylidenebis(dichloro-|Phenol, 4,4'-isopropylidenebis[2,6-dichloro-|Tetrachlordian|Tetrachloro bisphenol A|Tetrachlorobisphenol A|Tetrachlorodian|UNII-FO0P9ET4BN|27360-90-3|29155-33-7|4112-94-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021770
ARPathway2016 ARPathway2016_283 2,2',6,6'-Tetrachlorobisphenol A 79-95-8 DTXSID3021770 1.0 R3 AR Pathway Model, Agonist ACC 12.25968368 uM CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1)C1=CC(Cl)=C(O)C(Cl)=C1 2,2',6,6'-Tetrachlorobisphenol A 79-95-8|2,2',6,6'-Tetrachlorobisphenol A|(4,4'-isopropylidenebis(2,6-dichlorophenol)|2,2-Bis(3,5-dichloro-4- hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-oxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane|2,2-Bis[3,5-dichloro-4-oxyphenyl]propane|2,2',6,6'-Tetrachlor-4,4'-isopropylidendiphenol|2,2',6,6'-tetrachloro-4,4'-isopropylidenediphenol|2,2',6,6'-tetracloro-4,4'-isopropilidendifenol|3-06-00-05462|3,3',5,5'-Tetrachlorobisphenol A|3,5,3',5'-Tetrachlorobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dichlorophenol)|4,4'-(1-Methylethylidene)bis[2,6-dichlorophenol]|4,4'-Isopropylidenebis(2,6-dichlorophenol)|4,4'-Isopropylidenebis[2,6-dichlorophenol]|BRN 2059573|EINECS 201-237-4|NSC 18248|NSC 67465|Phenol, 4,4'-(1-methylethylidene)bis(dichloro-|Phenol, 4,4'-(1-methylethylidene)bis[2,6-dichloro-|Phenol, 4,4'-isopropylidenebis(dichloro-|Phenol, 4,4'-isopropylidenebis[2,6-dichloro-|Tetrachlordian|Tetrachloro bisphenol A|Tetrachlorobisphenol A|Tetrachlorodian|UNII-FO0P9ET4BN|27360-90-3|29155-33-7|4112-94-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021770
ARPathway2016 ARPathway2016_283 2,2',6,6'-Tetrachlorobisphenol A 79-95-8 DTXSID3021770 1.0 R3 AR Pathway Model, Antagonist Model Score 0.0227 Unitless CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1)C1=CC(Cl)=C(O)C(Cl)=C1 2,2',6,6'-Tetrachlorobisphenol A 79-95-8|2,2',6,6'-Tetrachlorobisphenol A|(4,4'-isopropylidenebis(2,6-dichlorophenol)|2,2-Bis(3,5-dichloro-4- hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-oxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane|2,2-Bis[3,5-dichloro-4-oxyphenyl]propane|2,2',6,6'-Tetrachlor-4,4'-isopropylidendiphenol|2,2',6,6'-tetrachloro-4,4'-isopropylidenediphenol|2,2',6,6'-tetracloro-4,4'-isopropilidendifenol|3-06-00-05462|3,3',5,5'-Tetrachlorobisphenol A|3,5,3',5'-Tetrachlorobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dichlorophenol)|4,4'-(1-Methylethylidene)bis[2,6-dichlorophenol]|4,4'-Isopropylidenebis(2,6-dichlorophenol)|4,4'-Isopropylidenebis[2,6-dichlorophenol]|BRN 2059573|EINECS 201-237-4|NSC 18248|NSC 67465|Phenol, 4,4'-(1-methylethylidene)bis(dichloro-|Phenol, 4,4'-(1-methylethylidene)bis[2,6-dichloro-|Phenol, 4,4'-isopropylidenebis(dichloro-|Phenol, 4,4'-isopropylidenebis[2,6-dichloro-|Tetrachlordian|Tetrachloro bisphenol A|Tetrachlorobisphenol A|Tetrachlorodian|UNII-FO0P9ET4BN|27360-90-3|29155-33-7|4112-94-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021770
ARPathway2016 ARPathway2016_283 2,2',6,6'-Tetrachlorobisphenol A 79-95-8 DTXSID3021770 1.0 R3 AR Pathway Model, Agonist Model Score 0.0111 Unitless CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1)C1=CC(Cl)=C(O)C(Cl)=C1 2,2',6,6'-Tetrachlorobisphenol A 79-95-8|2,2',6,6'-Tetrachlorobisphenol A|(4,4'-isopropylidenebis(2,6-dichlorophenol)|2,2-Bis(3,5-dichloro-4- hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-oxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane|2,2-Bis[3,5-dichloro-4-oxyphenyl]propane|2,2',6,6'-Tetrachlor-4,4'-isopropylidendiphenol|2,2',6,6'-tetrachloro-4,4'-isopropylidenediphenol|2,2',6,6'-tetracloro-4,4'-isopropilidendifenol|3-06-00-05462|3,3',5,5'-Tetrachlorobisphenol A|3,5,3',5'-Tetrachlorobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dichlorophenol)|4,4'-(1-Methylethylidene)bis[2,6-dichlorophenol]|4,4'-Isopropylidenebis(2,6-dichlorophenol)|4,4'-Isopropylidenebis[2,6-dichlorophenol]|BRN 2059573|EINECS 201-237-4|NSC 18248|NSC 67465|Phenol, 4,4'-(1-methylethylidene)bis(dichloro-|Phenol, 4,4'-(1-methylethylidene)bis[2,6-dichloro-|Phenol, 4,4'-isopropylidenebis(dichloro-|Phenol, 4,4'-isopropylidenebis[2,6-dichloro-|Tetrachlordian|Tetrachloro bisphenol A|Tetrachlorobisphenol A|Tetrachlorodian|UNII-FO0P9ET4BN|27360-90-3|29155-33-7|4112-94-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021770
ARPathway2016 ARPathway2016_283 2,2',6,6'-Tetrachlorobisphenol A 79-95-8 DTXSID3021770 1.0 R3 AR Pathway Model, Agonist Call Active Unitless CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1)C1=CC(Cl)=C(O)C(Cl)=C1 2,2',6,6'-Tetrachlorobisphenol A 79-95-8|2,2',6,6'-Tetrachlorobisphenol A|(4,4'-isopropylidenebis(2,6-dichlorophenol)|2,2-Bis(3,5-dichloro-4- hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-oxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane|2,2-Bis[3,5-dichloro-4-oxyphenyl]propane|2,2',6,6'-Tetrachlor-4,4'-isopropylidendiphenol|2,2',6,6'-tetrachloro-4,4'-isopropylidenediphenol|2,2',6,6'-tetracloro-4,4'-isopropilidendifenol|3-06-00-05462|3,3',5,5'-Tetrachlorobisphenol A|3,5,3',5'-Tetrachlorobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dichlorophenol)|4,4'-(1-Methylethylidene)bis[2,6-dichlorophenol]|4,4'-Isopropylidenebis(2,6-dichlorophenol)|4,4'-Isopropylidenebis[2,6-dichlorophenol]|BRN 2059573|EINECS 201-237-4|NSC 18248|NSC 67465|Phenol, 4,4'-(1-methylethylidene)bis(dichloro-|Phenol, 4,4'-(1-methylethylidene)bis[2,6-dichloro-|Phenol, 4,4'-isopropylidenebis(dichloro-|Phenol, 4,4'-isopropylidenebis[2,6-dichloro-|Tetrachlordian|Tetrachloro bisphenol A|Tetrachlorobisphenol A|Tetrachlorodian|UNII-FO0P9ET4BN|27360-90-3|29155-33-7|4112-94-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021770
ARPathway2016 ARPathway2016_283 2,2',6,6'-Tetrachlorobisphenol A 79-95-8 DTXSID3021770 1.0 R3 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1)C1=CC(Cl)=C(O)C(Cl)=C1 2,2',6,6'-Tetrachlorobisphenol A 79-95-8|2,2',6,6'-Tetrachlorobisphenol A|(4,4'-isopropylidenebis(2,6-dichlorophenol)|2,2-Bis(3,5-dichloro-4- hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-oxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane|2,2-Bis[3,5-dichloro-4-oxyphenyl]propane|2,2',6,6'-Tetrachlor-4,4'-isopropylidendiphenol|2,2',6,6'-tetrachloro-4,4'-isopropylidenediphenol|2,2',6,6'-tetracloro-4,4'-isopropilidendifenol|3-06-00-05462|3,3',5,5'-Tetrachlorobisphenol A|3,5,3',5'-Tetrachlorobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dichlorophenol)|4,4'-(1-Methylethylidene)bis[2,6-dichlorophenol]|4,4'-Isopropylidenebis(2,6-dichlorophenol)|4,4'-Isopropylidenebis[2,6-dichlorophenol]|BRN 2059573|EINECS 201-237-4|NSC 18248|NSC 67465|Phenol, 4,4'-(1-methylethylidene)bis(dichloro-|Phenol, 4,4'-(1-methylethylidene)bis[2,6-dichloro-|Phenol, 4,4'-isopropylidenebis(dichloro-|Phenol, 4,4'-isopropylidenebis[2,6-dichloro-|Tetrachlordian|Tetrachloro bisphenol A|Tetrachlorobisphenol A|Tetrachlorodian|UNII-FO0P9ET4BN|27360-90-3|29155-33-7|4112-94-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021770
ERPathway2016 ERPathway2016_202 2,2',6,6'-Tetrachlorobisphenol A 79-95-8 DTXSID3021770 Agonist ER Pathway Model, Antagonist AC50 13.1153691432298 uM CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1)C1=CC(Cl)=C(O)C(Cl)=C1 2,2',6,6'-Tetrachlorobisphenol A 79-95-8|2,2',6,6'-Tetrachlorobisphenol A|(4,4'-isopropylidenebis(2,6-dichlorophenol)|2,2-Bis(3,5-dichloro-4- hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-oxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane|2,2-Bis[3,5-dichloro-4-oxyphenyl]propane|2,2',6,6'-Tetrachlor-4,4'-isopropylidendiphenol|2,2',6,6'-tetrachloro-4,4'-isopropylidenediphenol|2,2',6,6'-tetracloro-4,4'-isopropilidendifenol|3-06-00-05462|3,3',5,5'-Tetrachlorobisphenol A|3,5,3',5'-Tetrachlorobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dichlorophenol)|4,4'-(1-Methylethylidene)bis[2,6-dichlorophenol]|4,4'-Isopropylidenebis(2,6-dichlorophenol)|4,4'-Isopropylidenebis[2,6-dichlorophenol]|BRN 2059573|EINECS 201-237-4|NSC 18248|NSC 67465|Phenol, 4,4'-(1-methylethylidene)bis(dichloro-|Phenol, 4,4'-(1-methylethylidene)bis[2,6-dichloro-|Phenol, 4,4'-isopropylidenebis(dichloro-|Phenol, 4,4'-isopropylidenebis[2,6-dichloro-|Tetrachlordian|Tetrachloro bisphenol A|Tetrachlorobisphenol A|Tetrachlorodian|UNII-FO0P9ET4BN|27360-90-3|29155-33-7|4112-94-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021770
ERPathway2016 ERPathway2016_202 2,2',6,6'-Tetrachlorobisphenol A 79-95-8 DTXSID3021770 Agonist ER Pathway Model, Antagonist ACC 11.7728896020486 uM CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1)C1=CC(Cl)=C(O)C(Cl)=C1 2,2',6,6'-Tetrachlorobisphenol A 79-95-8|2,2',6,6'-Tetrachlorobisphenol A|(4,4'-isopropylidenebis(2,6-dichlorophenol)|2,2-Bis(3,5-dichloro-4- hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-oxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane|2,2-Bis[3,5-dichloro-4-oxyphenyl]propane|2,2',6,6'-Tetrachlor-4,4'-isopropylidendiphenol|2,2',6,6'-tetrachloro-4,4'-isopropylidenediphenol|2,2',6,6'-tetracloro-4,4'-isopropilidendifenol|3-06-00-05462|3,3',5,5'-Tetrachlorobisphenol A|3,5,3',5'-Tetrachlorobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dichlorophenol)|4,4'-(1-Methylethylidene)bis[2,6-dichlorophenol]|4,4'-Isopropylidenebis(2,6-dichlorophenol)|4,4'-Isopropylidenebis[2,6-dichlorophenol]|BRN 2059573|EINECS 201-237-4|NSC 18248|NSC 67465|Phenol, 4,4'-(1-methylethylidene)bis(dichloro-|Phenol, 4,4'-(1-methylethylidene)bis[2,6-dichloro-|Phenol, 4,4'-isopropylidenebis(dichloro-|Phenol, 4,4'-isopropylidenebis[2,6-dichloro-|Tetrachlordian|Tetrachloro bisphenol A|Tetrachlorobisphenol A|Tetrachlorodian|UNII-FO0P9ET4BN|27360-90-3|29155-33-7|4112-94-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021770
ERPathway2016 ERPathway2016_202 2,2',6,6'-Tetrachlorobisphenol A 79-95-8 DTXSID3021770 Agonist ER Pathway Model, Agonist Model Score 0.19 Unitless CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1)C1=CC(Cl)=C(O)C(Cl)=C1 2,2',6,6'-Tetrachlorobisphenol A 79-95-8|2,2',6,6'-Tetrachlorobisphenol A|(4,4'-isopropylidenebis(2,6-dichlorophenol)|2,2-Bis(3,5-dichloro-4- hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-oxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane|2,2-Bis[3,5-dichloro-4-oxyphenyl]propane|2,2',6,6'-Tetrachlor-4,4'-isopropylidendiphenol|2,2',6,6'-tetrachloro-4,4'-isopropylidenediphenol|2,2',6,6'-tetracloro-4,4'-isopropilidendifenol|3-06-00-05462|3,3',5,5'-Tetrachlorobisphenol A|3,5,3',5'-Tetrachlorobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dichlorophenol)|4,4'-(1-Methylethylidene)bis[2,6-dichlorophenol]|4,4'-Isopropylidenebis(2,6-dichlorophenol)|4,4'-Isopropylidenebis[2,6-dichlorophenol]|BRN 2059573|EINECS 201-237-4|NSC 18248|NSC 67465|Phenol, 4,4'-(1-methylethylidene)bis(dichloro-|Phenol, 4,4'-(1-methylethylidene)bis[2,6-dichloro-|Phenol, 4,4'-isopropylidenebis(dichloro-|Phenol, 4,4'-isopropylidenebis[2,6-dichloro-|Tetrachlordian|Tetrachloro bisphenol A|Tetrachlorobisphenol A|Tetrachlorodian|UNII-FO0P9ET4BN|27360-90-3|29155-33-7|4112-94-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021770
ERPathway2016 ERPathway2016_202 2,2',6,6'-Tetrachlorobisphenol A 79-95-8 DTXSID3021770 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1)C1=CC(Cl)=C(O)C(Cl)=C1 2,2',6,6'-Tetrachlorobisphenol A 79-95-8|2,2',6,6'-Tetrachlorobisphenol A|(4,4'-isopropylidenebis(2,6-dichlorophenol)|2,2-Bis(3,5-dichloro-4- hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-oxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane|2,2-Bis[3,5-dichloro-4-oxyphenyl]propane|2,2',6,6'-Tetrachlor-4,4'-isopropylidendiphenol|2,2',6,6'-tetrachloro-4,4'-isopropylidenediphenol|2,2',6,6'-tetracloro-4,4'-isopropilidendifenol|3-06-00-05462|3,3',5,5'-Tetrachlorobisphenol A|3,5,3',5'-Tetrachlorobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dichlorophenol)|4,4'-(1-Methylethylidene)bis[2,6-dichlorophenol]|4,4'-Isopropylidenebis(2,6-dichlorophenol)|4,4'-Isopropylidenebis[2,6-dichlorophenol]|BRN 2059573|EINECS 201-237-4|NSC 18248|NSC 67465|Phenol, 4,4'-(1-methylethylidene)bis(dichloro-|Phenol, 4,4'-(1-methylethylidene)bis[2,6-dichloro-|Phenol, 4,4'-isopropylidenebis(dichloro-|Phenol, 4,4'-isopropylidenebis[2,6-dichloro-|Tetrachlordian|Tetrachloro bisphenol A|Tetrachlorobisphenol A|Tetrachlorodian|UNII-FO0P9ET4BN|27360-90-3|29155-33-7|4112-94-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021770
ERPathway2016 ERPathway2016_202 2,2',6,6'-Tetrachlorobisphenol A 79-95-8 DTXSID3021770 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1)C1=CC(Cl)=C(O)C(Cl)=C1 2,2',6,6'-Tetrachlorobisphenol A 79-95-8|2,2',6,6'-Tetrachlorobisphenol A|(4,4'-isopropylidenebis(2,6-dichlorophenol)|2,2-Bis(3,5-dichloro-4- hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-oxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane|2,2-Bis[3,5-dichloro-4-oxyphenyl]propane|2,2',6,6'-Tetrachlor-4,4'-isopropylidendiphenol|2,2',6,6'-tetrachloro-4,4'-isopropylidenediphenol|2,2',6,6'-tetracloro-4,4'-isopropilidendifenol|3-06-00-05462|3,3',5,5'-Tetrachlorobisphenol A|3,5,3',5'-Tetrachlorobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dichlorophenol)|4,4'-(1-Methylethylidene)bis[2,6-dichlorophenol]|4,4'-Isopropylidenebis(2,6-dichlorophenol)|4,4'-Isopropylidenebis[2,6-dichlorophenol]|BRN 2059573|EINECS 201-237-4|NSC 18248|NSC 67465|Phenol, 4,4'-(1-methylethylidene)bis(dichloro-|Phenol, 4,4'-(1-methylethylidene)bis[2,6-dichloro-|Phenol, 4,4'-isopropylidenebis(dichloro-|Phenol, 4,4'-isopropylidenebis[2,6-dichloro-|Tetrachlordian|Tetrachloro bisphenol A|Tetrachlorobisphenol A|Tetrachlorodian|UNII-FO0P9ET4BN|27360-90-3|29155-33-7|4112-94-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021770
ERPathway2016 ERPathway2016_202 2,2',6,6'-Tetrachlorobisphenol A 79-95-8 DTXSID3021770 Agonist ER Pathway Model, Antagonist Call Active Unitless CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1)C1=CC(Cl)=C(O)C(Cl)=C1 2,2',6,6'-Tetrachlorobisphenol A 79-95-8|2,2',6,6'-Tetrachlorobisphenol A|(4,4'-isopropylidenebis(2,6-dichlorophenol)|2,2-Bis(3,5-dichloro-4- hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-hydroxyphenyl)propane|2,2-Bis(3,5-dichloro-4-oxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane|2,2-Bis[3,5-dichloro-4-oxyphenyl]propane|2,2',6,6'-Tetrachlor-4,4'-isopropylidendiphenol|2,2',6,6'-tetrachloro-4,4'-isopropylidenediphenol|2,2',6,6'-tetracloro-4,4'-isopropilidendifenol|3-06-00-05462|3,3',5,5'-Tetrachlorobisphenol A|3,5,3',5'-Tetrachlorobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dichlorophenol)|4,4'-(1-Methylethylidene)bis[2,6-dichlorophenol]|4,4'-Isopropylidenebis(2,6-dichlorophenol)|4,4'-Isopropylidenebis[2,6-dichlorophenol]|BRN 2059573|EINECS 201-237-4|NSC 18248|NSC 67465|Phenol, 4,4'-(1-methylethylidene)bis(dichloro-|Phenol, 4,4'-(1-methylethylidene)bis[2,6-dichloro-|Phenol, 4,4'-isopropylidenebis(dichloro-|Phenol, 4,4'-isopropylidenebis[2,6-dichloro-|Tetrachlordian|Tetrachloro bisphenol A|Tetrachlorobisphenol A|Tetrachlorodian|UNII-FO0P9ET4BN|27360-90-3|29155-33-7|4112-94-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021770
ARPathway2016 ARPathway2016_1722 2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine 929-59-9 DTXSID9044742 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NCCOCCOCCN 2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine 929-59-9|2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine|[(Ethylenedioxy)diethylene]amine|1,2-Bis(2-aminoethoxy)ethane|1,8-Diamino-3,6-dioxaoctane|2-[2-(2-Aminoethoxy)ethoxy]ethylamine|2,2'-(Ethylenedioxy)bis(ethylamine)|2,2'-(Ethylenedioxy)diethylamine|2,2'-[1,2-Ethanediylbis(oxy)]bis[ethanamine]|2,2'-[1,2-Ethanediylbis(oxy)]bisethanamine|3,6-Dioxa-1,8-octanediamine|3,6-Dioxaoctamethylendiamin|3,6-dioxaoctamethylenediamine|3,6-dioxaoctametilendiamina|Daitocurar J 5030|EINECS 213-203-6|Ethanamine, 2,2'-[1,2-ethanediylbis(oxy)]bis-|Ethylamine, 2,2'-(ethylenedioxy)bis-|ETHYLAMINE, 2,2'-[1,2-ETHANEDIYLBIS(OXY)]BIS|Ethylene glycol bis(2-aminoethyl) ether|Jeffamine EDR 148|NSC 28972|O,O'-Bis(2-aminoethyl)ethylene glycol|TRIETHYLENE GLYCOL DIAMINE https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044742
ARPathway2016 ARPathway2016_1722 2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine 929-59-9 DTXSID9044742 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NCCOCCOCCN 2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine 929-59-9|2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine|[(Ethylenedioxy)diethylene]amine|1,2-Bis(2-aminoethoxy)ethane|1,8-Diamino-3,6-dioxaoctane|2-[2-(2-Aminoethoxy)ethoxy]ethylamine|2,2'-(Ethylenedioxy)bis(ethylamine)|2,2'-(Ethylenedioxy)diethylamine|2,2'-[1,2-Ethanediylbis(oxy)]bis[ethanamine]|2,2'-[1,2-Ethanediylbis(oxy)]bisethanamine|3,6-Dioxa-1,8-octanediamine|3,6-Dioxaoctamethylendiamin|3,6-dioxaoctamethylenediamine|3,6-dioxaoctametilendiamina|Daitocurar J 5030|EINECS 213-203-6|Ethanamine, 2,2'-[1,2-ethanediylbis(oxy)]bis-|Ethylamine, 2,2'-(ethylenedioxy)bis-|ETHYLAMINE, 2,2'-[1,2-ETHANEDIYLBIS(OXY)]BIS|Ethylene glycol bis(2-aminoethyl) ether|Jeffamine EDR 148|NSC 28972|O,O'-Bis(2-aminoethyl)ethylene glycol|TRIETHYLENE GLYCOL DIAMINE https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044742
ARPathway2016 ARPathway2016_1722 2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine 929-59-9 DTXSID9044742 0.0 AR Pathway Model, Agonist Call Inactive Unitless NCCOCCOCCN 2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine 929-59-9|2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine|[(Ethylenedioxy)diethylene]amine|1,2-Bis(2-aminoethoxy)ethane|1,8-Diamino-3,6-dioxaoctane|2-[2-(2-Aminoethoxy)ethoxy]ethylamine|2,2'-(Ethylenedioxy)bis(ethylamine)|2,2'-(Ethylenedioxy)diethylamine|2,2'-[1,2-Ethanediylbis(oxy)]bis[ethanamine]|2,2'-[1,2-Ethanediylbis(oxy)]bisethanamine|3,6-Dioxa-1,8-octanediamine|3,6-Dioxaoctamethylendiamin|3,6-dioxaoctamethylenediamine|3,6-dioxaoctametilendiamina|Daitocurar J 5030|EINECS 213-203-6|Ethanamine, 2,2'-[1,2-ethanediylbis(oxy)]bis-|Ethylamine, 2,2'-(ethylenedioxy)bis-|ETHYLAMINE, 2,2'-[1,2-ETHANEDIYLBIS(OXY)]BIS|Ethylene glycol bis(2-aminoethyl) ether|Jeffamine EDR 148|NSC 28972|O,O'-Bis(2-aminoethyl)ethylene glycol|TRIETHYLENE GLYCOL DIAMINE https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044742
ARPathway2016 ARPathway2016_1722 2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine 929-59-9 DTXSID9044742 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NCCOCCOCCN 2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine 929-59-9|2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine|[(Ethylenedioxy)diethylene]amine|1,2-Bis(2-aminoethoxy)ethane|1,8-Diamino-3,6-dioxaoctane|2-[2-(2-Aminoethoxy)ethoxy]ethylamine|2,2'-(Ethylenedioxy)bis(ethylamine)|2,2'-(Ethylenedioxy)diethylamine|2,2'-[1,2-Ethanediylbis(oxy)]bis[ethanamine]|2,2'-[1,2-Ethanediylbis(oxy)]bisethanamine|3,6-Dioxa-1,8-octanediamine|3,6-Dioxaoctamethylendiamin|3,6-dioxaoctamethylenediamine|3,6-dioxaoctametilendiamina|Daitocurar J 5030|EINECS 213-203-6|Ethanamine, 2,2'-[1,2-ethanediylbis(oxy)]bis-|Ethylamine, 2,2'-(ethylenedioxy)bis-|ETHYLAMINE, 2,2'-[1,2-ETHANEDIYLBIS(OXY)]BIS|Ethylene glycol bis(2-aminoethyl) ether|Jeffamine EDR 148|NSC 28972|O,O'-Bis(2-aminoethyl)ethylene glycol|TRIETHYLENE GLYCOL DIAMINE https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044742
ARPathway2016 ARPathway2016_145 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0 DTXSID8022325 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 8.588160781 uM OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)C(Cl)(Cl)Cl 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0|2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane|1,1-bis(4-hydroxyphenyl)-2,2,2-trichloroethane|1,1-bis(p-hydroxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane|1,1,1-trichloro-2,2-bis(p-hydroxyphenyl)ethane|2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-hydroxyphenyl)ethane|3-06-00-05436|4,4'-(2,2,2-Trichloroethylidene)bis[phenol]|4,4'-(2,2,2-Trichloroethylidene)bisphenol|4,4'-(2,2,2-trichloroethylidene)diphenol|4,4'-Dihydroxydiphenyl-trichloroethane|4,4'-Dihydroxydiphenyltrichloroethane|alpha,alpha-Bis(4-hydroxyphenyl)-beta,beta,beta-trichloroethane|Bis-OH-Methoxychlor|Bisdemethylmethoxychlor|bishydroxy methoxychlor|BRN 2054671|Dihydroxy-diphenyl trichlorethane|Ethane, 2,2-bis(p-hydroxyphenyl)-1,1,1-trichloro-|HPTE|Hydroxychlor|NSC 7045|p,p'-(2,2,2-trichloroethylidene)diphenol|p,p'-HO-DDT|p,p'-Hydroxy-DDT|Phenol, 4, 4'- (2, 2, 2- trichloroethylidene) bis-|Phenol, 4,4'-(2,2,2-trichloroethylidene)di-|UNII-H58165YO91|a,a-Bis(4-hydroxyphenyl)-b https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022325
ARPathway2016 ARPathway2016_145 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0 DTXSID8022325 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 5.98373436399999 uM OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)C(Cl)(Cl)Cl 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0|2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane|1,1-bis(4-hydroxyphenyl)-2,2,2-trichloroethane|1,1-bis(p-hydroxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane|1,1,1-trichloro-2,2-bis(p-hydroxyphenyl)ethane|2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-hydroxyphenyl)ethane|3-06-00-05436|4,4'-(2,2,2-Trichloroethylidene)bis[phenol]|4,4'-(2,2,2-Trichloroethylidene)bisphenol|4,4'-(2,2,2-trichloroethylidene)diphenol|4,4'-Dihydroxydiphenyl-trichloroethane|4,4'-Dihydroxydiphenyltrichloroethane|alpha,alpha-Bis(4-hydroxyphenyl)-beta,beta,beta-trichloroethane|Bis-OH-Methoxychlor|Bisdemethylmethoxychlor|bishydroxy methoxychlor|BRN 2054671|Dihydroxy-diphenyl trichlorethane|Ethane, 2,2-bis(p-hydroxyphenyl)-1,1,1-trichloro-|HPTE|Hydroxychlor|NSC 7045|p,p'-(2,2,2-trichloroethylidene)diphenol|p,p'-HO-DDT|p,p'-Hydroxy-DDT|Phenol, 4, 4'- (2, 2, 2- trichloroethylidene) bis-|Phenol, 4,4'-(2,2,2-trichloroethylidene)di-|UNII-H58165YO91|a,a-Bis(4-hydroxyphenyl)-b https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022325
ARPathway2016 ARPathway2016_145 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0 DTXSID8022325 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.555 Unitless OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)C(Cl)(Cl)Cl 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0|2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane|1,1-bis(4-hydroxyphenyl)-2,2,2-trichloroethane|1,1-bis(p-hydroxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane|1,1,1-trichloro-2,2-bis(p-hydroxyphenyl)ethane|2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-hydroxyphenyl)ethane|3-06-00-05436|4,4'-(2,2,2-Trichloroethylidene)bis[phenol]|4,4'-(2,2,2-Trichloroethylidene)bisphenol|4,4'-(2,2,2-trichloroethylidene)diphenol|4,4'-Dihydroxydiphenyl-trichloroethane|4,4'-Dihydroxydiphenyltrichloroethane|alpha,alpha-Bis(4-hydroxyphenyl)-beta,beta,beta-trichloroethane|Bis-OH-Methoxychlor|Bisdemethylmethoxychlor|bishydroxy methoxychlor|BRN 2054671|Dihydroxy-diphenyl trichlorethane|Ethane, 2,2-bis(p-hydroxyphenyl)-1,1,1-trichloro-|HPTE|Hydroxychlor|NSC 7045|p,p'-(2,2,2-trichloroethylidene)diphenol|p,p'-HO-DDT|p,p'-Hydroxy-DDT|Phenol, 4, 4'- (2, 2, 2- trichloroethylidene) bis-|Phenol, 4,4'-(2,2,2-trichloroethylidene)di-|UNII-H58165YO91|a,a-Bis(4-hydroxyphenyl)-b https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022325
ARPathway2016 ARPathway2016_145 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0 DTXSID8022325 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)C(Cl)(Cl)Cl 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0|2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane|1,1-bis(4-hydroxyphenyl)-2,2,2-trichloroethane|1,1-bis(p-hydroxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane|1,1,1-trichloro-2,2-bis(p-hydroxyphenyl)ethane|2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-hydroxyphenyl)ethane|3-06-00-05436|4,4'-(2,2,2-Trichloroethylidene)bis[phenol]|4,4'-(2,2,2-Trichloroethylidene)bisphenol|4,4'-(2,2,2-trichloroethylidene)diphenol|4,4'-Dihydroxydiphenyl-trichloroethane|4,4'-Dihydroxydiphenyltrichloroethane|alpha,alpha-Bis(4-hydroxyphenyl)-beta,beta,beta-trichloroethane|Bis-OH-Methoxychlor|Bisdemethylmethoxychlor|bishydroxy methoxychlor|BRN 2054671|Dihydroxy-diphenyl trichlorethane|Ethane, 2,2-bis(p-hydroxyphenyl)-1,1,1-trichloro-|HPTE|Hydroxychlor|NSC 7045|p,p'-(2,2,2-trichloroethylidene)diphenol|p,p'-HO-DDT|p,p'-Hydroxy-DDT|Phenol, 4, 4'- (2, 2, 2- trichloroethylidene) bis-|Phenol, 4,4'-(2,2,2-trichloroethylidene)di-|UNII-H58165YO91|a,a-Bis(4-hydroxyphenyl)-b https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022325
ARPathway2016 ARPathway2016_145 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0 DTXSID8022325 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)C(Cl)(Cl)Cl 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0|2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane|1,1-bis(4-hydroxyphenyl)-2,2,2-trichloroethane|1,1-bis(p-hydroxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane|1,1,1-trichloro-2,2-bis(p-hydroxyphenyl)ethane|2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-hydroxyphenyl)ethane|3-06-00-05436|4,4'-(2,2,2-Trichloroethylidene)bis[phenol]|4,4'-(2,2,2-Trichloroethylidene)bisphenol|4,4'-(2,2,2-trichloroethylidene)diphenol|4,4'-Dihydroxydiphenyl-trichloroethane|4,4'-Dihydroxydiphenyltrichloroethane|alpha,alpha-Bis(4-hydroxyphenyl)-beta,beta,beta-trichloroethane|Bis-OH-Methoxychlor|Bisdemethylmethoxychlor|bishydroxy methoxychlor|BRN 2054671|Dihydroxy-diphenyl trichlorethane|Ethane, 2,2-bis(p-hydroxyphenyl)-1,1,1-trichloro-|HPTE|Hydroxychlor|NSC 7045|p,p'-(2,2,2-trichloroethylidene)diphenol|p,p'-HO-DDT|p,p'-Hydroxy-DDT|Phenol, 4, 4'- (2, 2, 2- trichloroethylidene) bis-|Phenol, 4,4'-(2,2,2-trichloroethylidene)di-|UNII-H58165YO91|a,a-Bis(4-hydroxyphenyl)-b https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022325
ARPathway2016 ARPathway2016_145 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0 DTXSID8022325 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)C(Cl)(Cl)Cl 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0|2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane|1,1-bis(4-hydroxyphenyl)-2,2,2-trichloroethane|1,1-bis(p-hydroxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane|1,1,1-trichloro-2,2-bis(p-hydroxyphenyl)ethane|2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-hydroxyphenyl)ethane|3-06-00-05436|4,4'-(2,2,2-Trichloroethylidene)bis[phenol]|4,4'-(2,2,2-Trichloroethylidene)bisphenol|4,4'-(2,2,2-trichloroethylidene)diphenol|4,4'-Dihydroxydiphenyl-trichloroethane|4,4'-Dihydroxydiphenyltrichloroethane|alpha,alpha-Bis(4-hydroxyphenyl)-beta,beta,beta-trichloroethane|Bis-OH-Methoxychlor|Bisdemethylmethoxychlor|bishydroxy methoxychlor|BRN 2054671|Dihydroxy-diphenyl trichlorethane|Ethane, 2,2-bis(p-hydroxyphenyl)-1,1,1-trichloro-|HPTE|Hydroxychlor|NSC 7045|p,p'-(2,2,2-trichloroethylidene)diphenol|p,p'-HO-DDT|p,p'-Hydroxy-DDT|Phenol, 4, 4'- (2, 2, 2- trichloroethylidene) bis-|Phenol, 4,4'-(2,2,2-trichloroethylidene)di-|UNII-H58165YO91|a,a-Bis(4-hydroxyphenyl)-b https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022325
ERPathway2016 ERPathway2016_154 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0 DTXSID8022325 Agonist ER Pathway Model, Antagonist AC50 0.102291958613845 uM OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)C(Cl)(Cl)Cl 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0|2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane|1,1-bis(4-hydroxyphenyl)-2,2,2-trichloroethane|1,1-bis(p-hydroxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane|1,1,1-trichloro-2,2-bis(p-hydroxyphenyl)ethane|2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-hydroxyphenyl)ethane|3-06-00-05436|4,4'-(2,2,2-Trichloroethylidene)bis[phenol]|4,4'-(2,2,2-Trichloroethylidene)bisphenol|4,4'-(2,2,2-trichloroethylidene)diphenol|4,4'-Dihydroxydiphenyl-trichloroethane|4,4'-Dihydroxydiphenyltrichloroethane|alpha,alpha-Bis(4-hydroxyphenyl)-beta,beta,beta-trichloroethane|Bis-OH-Methoxychlor|Bisdemethylmethoxychlor|bishydroxy methoxychlor|BRN 2054671|Dihydroxy-diphenyl trichlorethane|Ethane, 2,2-bis(p-hydroxyphenyl)-1,1,1-trichloro-|HPTE|Hydroxychlor|NSC 7045|p,p'-(2,2,2-trichloroethylidene)diphenol|p,p'-HO-DDT|p,p'-Hydroxy-DDT|Phenol, 4, 4'- (2, 2, 2- trichloroethylidene) bis-|Phenol, 4,4'-(2,2,2-trichloroethylidene)di-|UNII-H58165YO91|a,a-Bis(4-hydroxyphenyl)-b https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022325
ERPathway2016 ERPathway2016_154 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0 DTXSID8022325 Agonist ER Pathway Model, Antagonist ACC 0.0118565943233514 uM OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)C(Cl)(Cl)Cl 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0|2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane|1,1-bis(4-hydroxyphenyl)-2,2,2-trichloroethane|1,1-bis(p-hydroxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane|1,1,1-trichloro-2,2-bis(p-hydroxyphenyl)ethane|2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-hydroxyphenyl)ethane|3-06-00-05436|4,4'-(2,2,2-Trichloroethylidene)bis[phenol]|4,4'-(2,2,2-Trichloroethylidene)bisphenol|4,4'-(2,2,2-trichloroethylidene)diphenol|4,4'-Dihydroxydiphenyl-trichloroethane|4,4'-Dihydroxydiphenyltrichloroethane|alpha,alpha-Bis(4-hydroxyphenyl)-beta,beta,beta-trichloroethane|Bis-OH-Methoxychlor|Bisdemethylmethoxychlor|bishydroxy methoxychlor|BRN 2054671|Dihydroxy-diphenyl trichlorethane|Ethane, 2,2-bis(p-hydroxyphenyl)-1,1,1-trichloro-|HPTE|Hydroxychlor|NSC 7045|p,p'-(2,2,2-trichloroethylidene)diphenol|p,p'-HO-DDT|p,p'-Hydroxy-DDT|Phenol, 4, 4'- (2, 2, 2- trichloroethylidene) bis-|Phenol, 4,4'-(2,2,2-trichloroethylidene)di-|UNII-H58165YO91|a,a-Bis(4-hydroxyphenyl)-b https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022325
ERPathway2016 ERPathway2016_154 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0 DTXSID8022325 Agonist ER Pathway Model, Agonist Model Score 0.568 Unitless OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)C(Cl)(Cl)Cl 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0|2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane|1,1-bis(4-hydroxyphenyl)-2,2,2-trichloroethane|1,1-bis(p-hydroxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane|1,1,1-trichloro-2,2-bis(p-hydroxyphenyl)ethane|2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-hydroxyphenyl)ethane|3-06-00-05436|4,4'-(2,2,2-Trichloroethylidene)bis[phenol]|4,4'-(2,2,2-Trichloroethylidene)bisphenol|4,4'-(2,2,2-trichloroethylidene)diphenol|4,4'-Dihydroxydiphenyl-trichloroethane|4,4'-Dihydroxydiphenyltrichloroethane|alpha,alpha-Bis(4-hydroxyphenyl)-beta,beta,beta-trichloroethane|Bis-OH-Methoxychlor|Bisdemethylmethoxychlor|bishydroxy methoxychlor|BRN 2054671|Dihydroxy-diphenyl trichlorethane|Ethane, 2,2-bis(p-hydroxyphenyl)-1,1,1-trichloro-|HPTE|Hydroxychlor|NSC 7045|p,p'-(2,2,2-trichloroethylidene)diphenol|p,p'-HO-DDT|p,p'-Hydroxy-DDT|Phenol, 4, 4'- (2, 2, 2- trichloroethylidene) bis-|Phenol, 4,4'-(2,2,2-trichloroethylidene)di-|UNII-H58165YO91|a,a-Bis(4-hydroxyphenyl)-b https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022325
ERPathway2016 ERPathway2016_154 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0 DTXSID8022325 Agonist ER Pathway Model, Antagonist Model Score 0.0413 Unitless OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)C(Cl)(Cl)Cl 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0|2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane|1,1-bis(4-hydroxyphenyl)-2,2,2-trichloroethane|1,1-bis(p-hydroxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane|1,1,1-trichloro-2,2-bis(p-hydroxyphenyl)ethane|2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-hydroxyphenyl)ethane|3-06-00-05436|4,4'-(2,2,2-Trichloroethylidene)bis[phenol]|4,4'-(2,2,2-Trichloroethylidene)bisphenol|4,4'-(2,2,2-trichloroethylidene)diphenol|4,4'-Dihydroxydiphenyl-trichloroethane|4,4'-Dihydroxydiphenyltrichloroethane|alpha,alpha-Bis(4-hydroxyphenyl)-beta,beta,beta-trichloroethane|Bis-OH-Methoxychlor|Bisdemethylmethoxychlor|bishydroxy methoxychlor|BRN 2054671|Dihydroxy-diphenyl trichlorethane|Ethane, 2,2-bis(p-hydroxyphenyl)-1,1,1-trichloro-|HPTE|Hydroxychlor|NSC 7045|p,p'-(2,2,2-trichloroethylidene)diphenol|p,p'-HO-DDT|p,p'-Hydroxy-DDT|Phenol, 4, 4'- (2, 2, 2- trichloroethylidene) bis-|Phenol, 4,4'-(2,2,2-trichloroethylidene)di-|UNII-H58165YO91|a,a-Bis(4-hydroxyphenyl)-b https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022325
ERPathway2016 ERPathway2016_154 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0 DTXSID8022325 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)C(Cl)(Cl)Cl 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0|2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane|1,1-bis(4-hydroxyphenyl)-2,2,2-trichloroethane|1,1-bis(p-hydroxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane|1,1,1-trichloro-2,2-bis(p-hydroxyphenyl)ethane|2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-hydroxyphenyl)ethane|3-06-00-05436|4,4'-(2,2,2-Trichloroethylidene)bis[phenol]|4,4'-(2,2,2-Trichloroethylidene)bisphenol|4,4'-(2,2,2-trichloroethylidene)diphenol|4,4'-Dihydroxydiphenyl-trichloroethane|4,4'-Dihydroxydiphenyltrichloroethane|alpha,alpha-Bis(4-hydroxyphenyl)-beta,beta,beta-trichloroethane|Bis-OH-Methoxychlor|Bisdemethylmethoxychlor|bishydroxy methoxychlor|BRN 2054671|Dihydroxy-diphenyl trichlorethane|Ethane, 2,2-bis(p-hydroxyphenyl)-1,1,1-trichloro-|HPTE|Hydroxychlor|NSC 7045|p,p'-(2,2,2-trichloroethylidene)diphenol|p,p'-HO-DDT|p,p'-Hydroxy-DDT|Phenol, 4, 4'- (2, 2, 2- trichloroethylidene) bis-|Phenol, 4,4'-(2,2,2-trichloroethylidene)di-|UNII-H58165YO91|a,a-Bis(4-hydroxyphenyl)-b https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022325
ERPathway2016 ERPathway2016_154 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0 DTXSID8022325 Agonist ER Pathway Model, Antagonist Call Active Unitless OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)C(Cl)(Cl)Cl 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2971-36-0|2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane|1,1-bis(4-hydroxyphenyl)-2,2,2-trichloroethane|1,1-bis(p-hydroxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane|1,1,1-trichloro-2,2-bis(p-hydroxyphenyl)ethane|2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-hydroxyphenyl)ethane|3-06-00-05436|4,4'-(2,2,2-Trichloroethylidene)bis[phenol]|4,4'-(2,2,2-Trichloroethylidene)bisphenol|4,4'-(2,2,2-trichloroethylidene)diphenol|4,4'-Dihydroxydiphenyl-trichloroethane|4,4'-Dihydroxydiphenyltrichloroethane|alpha,alpha-Bis(4-hydroxyphenyl)-beta,beta,beta-trichloroethane|Bis-OH-Methoxychlor|Bisdemethylmethoxychlor|bishydroxy methoxychlor|BRN 2054671|Dihydroxy-diphenyl trichlorethane|Ethane, 2,2-bis(p-hydroxyphenyl)-1,1,1-trichloro-|HPTE|Hydroxychlor|NSC 7045|p,p'-(2,2,2-trichloroethylidene)diphenol|p,p'-HO-DDT|p,p'-Hydroxy-DDT|Phenol, 4, 4'- (2, 2, 2- trichloroethylidene) bis-|Phenol, 4,4'-(2,2,2-trichloroethylidene)di-|UNII-H58165YO91|a,a-Bis(4-hydroxyphenyl)-b https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022325
ARPathway2016 ARPathway2016_422 2,2-Dibromo-3-nitrilopropionamide 10222-01-2 DTXSID5032361 FLAG: Wrong direction (Hit/No hit) -1.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC(=O)C(Br)(Br)C#N 2,2-Dibromo-3-nitrilopropionamide 10222-01-2|2,2-Dibromo-3-nitrilopropionamide|2,2-Dibromo-2-carbamoylacetonitrile|3-02-00-01641|Acetamide, 2-cyano-2,2-dibromo-|Acetamide, 2,2-dibromo-2-cyano-|BRN 1761192|Caswell No. 287AA|DBNPA|Dibromocyanoacetamide|EINECS 233-539-7|EPA Pesticide Chemical Code 101801|NSC 98283|UNII-7N51QGL6MJ|XD-7287l Antimicrobial|63619-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032361
ARPathway2016 ARPathway2016_422 2,2-Dibromo-3-nitrilopropionamide 10222-01-2 DTXSID5032361 FLAG: Wrong direction (Hit/No hit) -1.0 AR Pathway Model, Agonist Model Score 0 Unitless NC(=O)C(Br)(Br)C#N 2,2-Dibromo-3-nitrilopropionamide 10222-01-2|2,2-Dibromo-3-nitrilopropionamide|2,2-Dibromo-2-carbamoylacetonitrile|3-02-00-01641|Acetamide, 2-cyano-2,2-dibromo-|Acetamide, 2,2-dibromo-2-cyano-|BRN 1761192|Caswell No. 287AA|DBNPA|Dibromocyanoacetamide|EINECS 233-539-7|EPA Pesticide Chemical Code 101801|NSC 98283|UNII-7N51QGL6MJ|XD-7287l Antimicrobial|63619-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032361
ARPathway2016 ARPathway2016_422 2,2-Dibromo-3-nitrilopropionamide 10222-01-2 DTXSID5032361 FLAG: Wrong direction (Hit/No hit) -1.0 AR Pathway Model, Antagonist Call Inactive Unitless NC(=O)C(Br)(Br)C#N 2,2-Dibromo-3-nitrilopropionamide 10222-01-2|2,2-Dibromo-3-nitrilopropionamide|2,2-Dibromo-2-carbamoylacetonitrile|3-02-00-01641|Acetamide, 2-cyano-2,2-dibromo-|Acetamide, 2,2-dibromo-2-cyano-|BRN 1761192|Caswell No. 287AA|DBNPA|Dibromocyanoacetamide|EINECS 233-539-7|EPA Pesticide Chemical Code 101801|NSC 98283|UNII-7N51QGL6MJ|XD-7287l Antimicrobial|63619-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032361
ARPathway2016 ARPathway2016_422 2,2-Dibromo-3-nitrilopropionamide 10222-01-2 DTXSID5032361 FLAG: Wrong direction (Hit/No hit) -1.0 AR Pathway Model, Agonist Call Inactive Unitless NC(=O)C(Br)(Br)C#N 2,2-Dibromo-3-nitrilopropionamide 10222-01-2|2,2-Dibromo-3-nitrilopropionamide|2,2-Dibromo-2-carbamoylacetonitrile|3-02-00-01641|Acetamide, 2-cyano-2,2-dibromo-|Acetamide, 2,2-dibromo-2-cyano-|BRN 1761192|Caswell No. 287AA|DBNPA|Dibromocyanoacetamide|EINECS 233-539-7|EPA Pesticide Chemical Code 101801|NSC 98283|UNII-7N51QGL6MJ|XD-7287l Antimicrobial|63619-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032361
ERPathway2016 ERPathway2016_821 2,2-Dibromo-3-nitrilopropionamide 10222-01-2 DTXSID5032361 ER Pathway Model, Agonist Model Score 0 Unitless NC(=O)C(Br)(Br)C#N 2,2-Dibromo-3-nitrilopropionamide 10222-01-2|2,2-Dibromo-3-nitrilopropionamide|2,2-Dibromo-2-carbamoylacetonitrile|3-02-00-01641|Acetamide, 2-cyano-2,2-dibromo-|Acetamide, 2,2-dibromo-2-cyano-|BRN 1761192|Caswell No. 287AA|DBNPA|Dibromocyanoacetamide|EINECS 233-539-7|EPA Pesticide Chemical Code 101801|NSC 98283|UNII-7N51QGL6MJ|XD-7287l Antimicrobial|63619-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032361
ERPathway2016 ERPathway2016_821 2,2-Dibromo-3-nitrilopropionamide 10222-01-2 DTXSID5032361 ER Pathway Model, Antagonist Model Score 0 Unitless NC(=O)C(Br)(Br)C#N 2,2-Dibromo-3-nitrilopropionamide 10222-01-2|2,2-Dibromo-3-nitrilopropionamide|2,2-Dibromo-2-carbamoylacetonitrile|3-02-00-01641|Acetamide, 2-cyano-2,2-dibromo-|Acetamide, 2,2-dibromo-2-cyano-|BRN 1761192|Caswell No. 287AA|DBNPA|Dibromocyanoacetamide|EINECS 233-539-7|EPA Pesticide Chemical Code 101801|NSC 98283|UNII-7N51QGL6MJ|XD-7287l Antimicrobial|63619-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032361
ERPathway2016 ERPathway2016_821 2,2-Dibromo-3-nitrilopropionamide 10222-01-2 DTXSID5032361 ER Pathway Model, Agonist Call Inactive Unitless NC(=O)C(Br)(Br)C#N 2,2-Dibromo-3-nitrilopropionamide 10222-01-2|2,2-Dibromo-3-nitrilopropionamide|2,2-Dibromo-2-carbamoylacetonitrile|3-02-00-01641|Acetamide, 2-cyano-2,2-dibromo-|Acetamide, 2,2-dibromo-2-cyano-|BRN 1761192|Caswell No. 287AA|DBNPA|Dibromocyanoacetamide|EINECS 233-539-7|EPA Pesticide Chemical Code 101801|NSC 98283|UNII-7N51QGL6MJ|XD-7287l Antimicrobial|63619-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032361
ERPathway2016 ERPathway2016_821 2,2-Dibromo-3-nitrilopropionamide 10222-01-2 DTXSID5032361 ER Pathway Model, Antagonist Call Inactive Unitless NC(=O)C(Br)(Br)C#N 2,2-Dibromo-3-nitrilopropionamide 10222-01-2|2,2-Dibromo-3-nitrilopropionamide|2,2-Dibromo-2-carbamoylacetonitrile|3-02-00-01641|Acetamide, 2-cyano-2,2-dibromo-|Acetamide, 2,2-dibromo-2-cyano-|BRN 1761192|Caswell No. 287AA|DBNPA|Dibromocyanoacetamide|EINECS 233-539-7|EPA Pesticide Chemical Code 101801|NSC 98283|UNII-7N51QGL6MJ|XD-7287l Antimicrobial|63619-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032361
ARPathway2016 ARPathway2016_1377 2,2-Dichloropropane 594-20-7 DTXSID7030060 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(Cl)Cl 2,2-Dichloropropane 594-20-7|2,2-Dichloropropane|Dichlorodimethylmethane|Dimethyldichloromethane|EINECS 209-832-0|Propane, 2,2-dichloro-|R 270aa|UNII-C5V432N6XB https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030060 https://doi.org/10.22427/NTP-DATA-DTXSID7030060
ARPathway2016 ARPathway2016_1377 2,2-Dichloropropane 594-20-7 DTXSID7030060 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(Cl)Cl 2,2-Dichloropropane 594-20-7|2,2-Dichloropropane|Dichlorodimethylmethane|Dimethyldichloromethane|EINECS 209-832-0|Propane, 2,2-dichloro-|R 270aa|UNII-C5V432N6XB https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030060 https://doi.org/10.22427/NTP-DATA-DTXSID7030060
ARPathway2016 ARPathway2016_1377 2,2-Dichloropropane 594-20-7 DTXSID7030060 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(Cl)Cl 2,2-Dichloropropane 594-20-7|2,2-Dichloropropane|Dichlorodimethylmethane|Dimethyldichloromethane|EINECS 209-832-0|Propane, 2,2-dichloro-|R 270aa|UNII-C5V432N6XB https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030060 https://doi.org/10.22427/NTP-DATA-DTXSID7030060
ARPathway2016 ARPathway2016_1377 2,2-Dichloropropane 594-20-7 DTXSID7030060 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(Cl)Cl 2,2-Dichloropropane 594-20-7|2,2-Dichloropropane|Dichlorodimethylmethane|Dimethyldichloromethane|EINECS 209-832-0|Propane, 2,2-dichloro-|R 270aa|UNII-C5V432N6XB https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030060 https://doi.org/10.22427/NTP-DATA-DTXSID7030060
ERPathway2016 ERPathway2016_985 2,2-Dichloropropane 594-20-7 DTXSID7030060 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(Cl)Cl 2,2-Dichloropropane 594-20-7|2,2-Dichloropropane|Dichlorodimethylmethane|Dimethyldichloromethane|EINECS 209-832-0|Propane, 2,2-dichloro-|R 270aa|UNII-C5V432N6XB https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030060 https://doi.org/10.22427/NTP-DATA-DTXSID7030060
ERPathway2016 ERPathway2016_985 2,2-Dichloropropane 594-20-7 DTXSID7030060 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(Cl)Cl 2,2-Dichloropropane 594-20-7|2,2-Dichloropropane|Dichlorodimethylmethane|Dimethyldichloromethane|EINECS 209-832-0|Propane, 2,2-dichloro-|R 270aa|UNII-C5V432N6XB https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030060 https://doi.org/10.22427/NTP-DATA-DTXSID7030060
ERPathway2016 ERPathway2016_985 2,2-Dichloropropane 594-20-7 DTXSID7030060 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(Cl)Cl 2,2-Dichloropropane 594-20-7|2,2-Dichloropropane|Dichlorodimethylmethane|Dimethyldichloromethane|EINECS 209-832-0|Propane, 2,2-dichloro-|R 270aa|UNII-C5V432N6XB https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030060 https://doi.org/10.22427/NTP-DATA-DTXSID7030060
ERPathway2016 ERPathway2016_985 2,2-Dichloropropane 594-20-7 DTXSID7030060 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(Cl)Cl 2,2-Dichloropropane 594-20-7|2,2-Dichloropropane|Dichlorodimethylmethane|Dimethyldichloromethane|EINECS 209-832-0|Propane, 2,2-dichloro-|R 270aa|UNII-C5V432N6XB https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030060 https://doi.org/10.22427/NTP-DATA-DTXSID7030060
ARPathway2016 ARPathway2016_748 2,2-Dimethylpropane-1,3-diol 126-30-7 DTXSID8027036 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(CO)CO 2,2-Dimethylpropane-1,3-diol 126-30-7|2,2-Dimethylpropane-1,3-diol|1,3-Dihydroxy-2,2-dimethylpropane|1,3-Propanediol, 2,2-dimethyl-|2,2-Bis(hydroxymethyl)propane|2,2-Dimethyl-1,3 propanediol|2,2-Dimethyl-1,3-dihydroxypropane|2,2-DIMETHYL-1,3-PROPANDIOL|2,2-Dimethyl-1,3-propanediol|2,2-Dimethylpropan-1,3-diol|2,2-Dimethyltrimethylene glycol|2,2-dimetilpropano-1,3-diol|4-01-00-02551|BRN 0605291|Dimethylolpropane|Dimethyltrimethylene glycol|EINECS 204-781-0|Hydroxypivalyl alcohol|Neopentanediol|Neopentyl glycol|Neopentyl glycol 2,2-Dimethyl-1,3-propanediol|Neopentylene glycol|Neopentylglycol|Nexcoat 600|NSC 55836|NSC 6366|PROPANE-1,3-DIOL, 2,2-DIMETHYL-|UNII-QI80HXD6S5|111109-35-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027036
ARPathway2016 ARPathway2016_748 2,2-Dimethylpropane-1,3-diol 126-30-7 DTXSID8027036 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(CO)CO 2,2-Dimethylpropane-1,3-diol 126-30-7|2,2-Dimethylpropane-1,3-diol|1,3-Dihydroxy-2,2-dimethylpropane|1,3-Propanediol, 2,2-dimethyl-|2,2-Bis(hydroxymethyl)propane|2,2-Dimethyl-1,3 propanediol|2,2-Dimethyl-1,3-dihydroxypropane|2,2-DIMETHYL-1,3-PROPANDIOL|2,2-Dimethyl-1,3-propanediol|2,2-Dimethylpropan-1,3-diol|2,2-Dimethyltrimethylene glycol|2,2-dimetilpropano-1,3-diol|4-01-00-02551|BRN 0605291|Dimethylolpropane|Dimethyltrimethylene glycol|EINECS 204-781-0|Hydroxypivalyl alcohol|Neopentanediol|Neopentyl glycol|Neopentyl glycol 2,2-Dimethyl-1,3-propanediol|Neopentylene glycol|Neopentylglycol|Nexcoat 600|NSC 55836|NSC 6366|PROPANE-1,3-DIOL, 2,2-DIMETHYL-|UNII-QI80HXD6S5|111109-35-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027036
ARPathway2016 ARPathway2016_748 2,2-Dimethylpropane-1,3-diol 126-30-7 DTXSID8027036 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(CO)CO 2,2-Dimethylpropane-1,3-diol 126-30-7|2,2-Dimethylpropane-1,3-diol|1,3-Dihydroxy-2,2-dimethylpropane|1,3-Propanediol, 2,2-dimethyl-|2,2-Bis(hydroxymethyl)propane|2,2-Dimethyl-1,3 propanediol|2,2-Dimethyl-1,3-dihydroxypropane|2,2-DIMETHYL-1,3-PROPANDIOL|2,2-Dimethyl-1,3-propanediol|2,2-Dimethylpropan-1,3-diol|2,2-Dimethyltrimethylene glycol|2,2-dimetilpropano-1,3-diol|4-01-00-02551|BRN 0605291|Dimethylolpropane|Dimethyltrimethylene glycol|EINECS 204-781-0|Hydroxypivalyl alcohol|Neopentanediol|Neopentyl glycol|Neopentyl glycol 2,2-Dimethyl-1,3-propanediol|Neopentylene glycol|Neopentylglycol|Nexcoat 600|NSC 55836|NSC 6366|PROPANE-1,3-DIOL, 2,2-DIMETHYL-|UNII-QI80HXD6S5|111109-35-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027036
ARPathway2016 ARPathway2016_748 2,2-Dimethylpropane-1,3-diol 126-30-7 DTXSID8027036 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(CO)CO 2,2-Dimethylpropane-1,3-diol 126-30-7|2,2-Dimethylpropane-1,3-diol|1,3-Dihydroxy-2,2-dimethylpropane|1,3-Propanediol, 2,2-dimethyl-|2,2-Bis(hydroxymethyl)propane|2,2-Dimethyl-1,3 propanediol|2,2-Dimethyl-1,3-dihydroxypropane|2,2-DIMETHYL-1,3-PROPANDIOL|2,2-Dimethyl-1,3-propanediol|2,2-Dimethylpropan-1,3-diol|2,2-Dimethyltrimethylene glycol|2,2-dimetilpropano-1,3-diol|4-01-00-02551|BRN 0605291|Dimethylolpropane|Dimethyltrimethylene glycol|EINECS 204-781-0|Hydroxypivalyl alcohol|Neopentanediol|Neopentyl glycol|Neopentyl glycol 2,2-Dimethyl-1,3-propanediol|Neopentylene glycol|Neopentylglycol|Nexcoat 600|NSC 55836|NSC 6366|PROPANE-1,3-DIOL, 2,2-DIMETHYL-|UNII-QI80HXD6S5|111109-35-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027036
ERPathway2016 ERPathway2016_884 2,2-Dimethylpropane-1,3-diol 126-30-7 DTXSID8027036 A15 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(CO)CO 2,2-Dimethylpropane-1,3-diol 126-30-7|2,2-Dimethylpropane-1,3-diol|1,3-Dihydroxy-2,2-dimethylpropane|1,3-Propanediol, 2,2-dimethyl-|2,2-Bis(hydroxymethyl)propane|2,2-Dimethyl-1,3 propanediol|2,2-Dimethyl-1,3-dihydroxypropane|2,2-DIMETHYL-1,3-PROPANDIOL|2,2-Dimethyl-1,3-propanediol|2,2-Dimethylpropan-1,3-diol|2,2-Dimethyltrimethylene glycol|2,2-dimetilpropano-1,3-diol|4-01-00-02551|BRN 0605291|Dimethylolpropane|Dimethyltrimethylene glycol|EINECS 204-781-0|Hydroxypivalyl alcohol|Neopentanediol|Neopentyl glycol|Neopentyl glycol 2,2-Dimethyl-1,3-propanediol|Neopentylene glycol|Neopentylglycol|Nexcoat 600|NSC 55836|NSC 6366|PROPANE-1,3-DIOL, 2,2-DIMETHYL-|UNII-QI80HXD6S5|111109-35-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027036
ERPathway2016 ERPathway2016_884 2,2-Dimethylpropane-1,3-diol 126-30-7 DTXSID8027036 A15 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(CO)CO 2,2-Dimethylpropane-1,3-diol 126-30-7|2,2-Dimethylpropane-1,3-diol|1,3-Dihydroxy-2,2-dimethylpropane|1,3-Propanediol, 2,2-dimethyl-|2,2-Bis(hydroxymethyl)propane|2,2-Dimethyl-1,3 propanediol|2,2-Dimethyl-1,3-dihydroxypropane|2,2-DIMETHYL-1,3-PROPANDIOL|2,2-Dimethyl-1,3-propanediol|2,2-Dimethylpropan-1,3-diol|2,2-Dimethyltrimethylene glycol|2,2-dimetilpropano-1,3-diol|4-01-00-02551|BRN 0605291|Dimethylolpropane|Dimethyltrimethylene glycol|EINECS 204-781-0|Hydroxypivalyl alcohol|Neopentanediol|Neopentyl glycol|Neopentyl glycol 2,2-Dimethyl-1,3-propanediol|Neopentylene glycol|Neopentylglycol|Nexcoat 600|NSC 55836|NSC 6366|PROPANE-1,3-DIOL, 2,2-DIMETHYL-|UNII-QI80HXD6S5|111109-35-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027036
ERPathway2016 ERPathway2016_884 2,2-Dimethylpropane-1,3-diol 126-30-7 DTXSID8027036 A15 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(CO)CO 2,2-Dimethylpropane-1,3-diol 126-30-7|2,2-Dimethylpropane-1,3-diol|1,3-Dihydroxy-2,2-dimethylpropane|1,3-Propanediol, 2,2-dimethyl-|2,2-Bis(hydroxymethyl)propane|2,2-Dimethyl-1,3 propanediol|2,2-Dimethyl-1,3-dihydroxypropane|2,2-DIMETHYL-1,3-PROPANDIOL|2,2-Dimethyl-1,3-propanediol|2,2-Dimethylpropan-1,3-diol|2,2-Dimethyltrimethylene glycol|2,2-dimetilpropano-1,3-diol|4-01-00-02551|BRN 0605291|Dimethylolpropane|Dimethyltrimethylene glycol|EINECS 204-781-0|Hydroxypivalyl alcohol|Neopentanediol|Neopentyl glycol|Neopentyl glycol 2,2-Dimethyl-1,3-propanediol|Neopentylene glycol|Neopentylglycol|Nexcoat 600|NSC 55836|NSC 6366|PROPANE-1,3-DIOL, 2,2-DIMETHYL-|UNII-QI80HXD6S5|111109-35-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027036
ERPathway2016 ERPathway2016_884 2,2-Dimethylpropane-1,3-diol 126-30-7 DTXSID8027036 A15 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(CO)CO 2,2-Dimethylpropane-1,3-diol 126-30-7|2,2-Dimethylpropane-1,3-diol|1,3-Dihydroxy-2,2-dimethylpropane|1,3-Propanediol, 2,2-dimethyl-|2,2-Bis(hydroxymethyl)propane|2,2-Dimethyl-1,3 propanediol|2,2-Dimethyl-1,3-dihydroxypropane|2,2-DIMETHYL-1,3-PROPANDIOL|2,2-Dimethyl-1,3-propanediol|2,2-Dimethylpropan-1,3-diol|2,2-Dimethyltrimethylene glycol|2,2-dimetilpropano-1,3-diol|4-01-00-02551|BRN 0605291|Dimethylolpropane|Dimethyltrimethylene glycol|EINECS 204-781-0|Hydroxypivalyl alcohol|Neopentanediol|Neopentyl glycol|Neopentyl glycol 2,2-Dimethyl-1,3-propanediol|Neopentylene glycol|Neopentylglycol|Nexcoat 600|NSC 55836|NSC 6366|PROPANE-1,3-DIOL, 2,2-DIMETHYL-|UNII-QI80HXD6S5|111109-35-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027036
ARPathway2016 ARPathway2016_33 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1 DTXSID4020870 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 17.358300750473 uM CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1|2,2'-Methylenebis(4-methyl-6-tert-butylphenol)|2,2-Methylenebis(4-methyl-6-t-butylphenol)|2,2'-Bis-6-terc.butyl-p-kresylmethan|2,2'-Bis(4-methyl-6-tert-butylphenol)methane|2,2'-Methanediylbis(6-tert-butyl-4-methylphenol)|2,2'-METHYLEN-BIS-(6-TERT-BUTYL-P-KRESOL)|2,2'-Methylene bis[6-(1,1-dimethylethyl)-4-methylphenol]|2,2'-METHYLENE-BIS-(4-METHYL-6-TERT-BUTYLPHENOL)|2,2'-Methylene-bis(4-methyl-6-t-butylphenol)|2,2'-Methylene-bis(6-tert-butyl-4-methylphenol)|2,2'-METHYLENEBIS(4-METHYL-6-TERT-BUTYL PHENOL)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-p-cresol)|2,2'-Methylenebis(6-tert-butyl-4-methylphenol)|2,2'-Methylenebis(6-tert-butyl-p-cresol)|2,2'-Methylenebis[4-methyl-6-t-butylphenol]|2,2'-Methylenebis[4-methyl-6-tert-butylphenol]|2,2'-Methylenebis[6-(1,1-dimethylethyl)-4-methyl)phenol|2,2'-Methylenebis[6-tert-butyl-p-cresol]|3,3'-Di-tert-butyl-2,2'-dihydroxy-5,5'-dimethyldiphenylmethane|4-06-00-06801|6,6'-di-terc-butil-2,2'-metilendi-p-cresol|6,6'-Di-tert-butyl-2,2'-methylendi-p-kresol|6,6'-Di-tert-butyl-2,2'-methylenedi-p-cresol|6,6'-Di-tert-butyl-4,4'-di|107397-49-9|110736-51-1|111214-56-3|12737-12-1|129514-93-8|149984-87-2|37268-48-7|52683-48-4|537040-81-6|53807-25-3|54650-81-6|56509-58-1|59112-68-4|62339-93-9|67556-84-7|69645-40-5|90297-42-0|92880-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020870
ARPathway2016 ARPathway2016_33 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1 DTXSID4020870 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 15.5923196284655 uM CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1|2,2'-Methylenebis(4-methyl-6-tert-butylphenol)|2,2-Methylenebis(4-methyl-6-t-butylphenol)|2,2'-Bis-6-terc.butyl-p-kresylmethan|2,2'-Bis(4-methyl-6-tert-butylphenol)methane|2,2'-Methanediylbis(6-tert-butyl-4-methylphenol)|2,2'-METHYLEN-BIS-(6-TERT-BUTYL-P-KRESOL)|2,2'-Methylene bis[6-(1,1-dimethylethyl)-4-methylphenol]|2,2'-METHYLENE-BIS-(4-METHYL-6-TERT-BUTYLPHENOL)|2,2'-Methylene-bis(4-methyl-6-t-butylphenol)|2,2'-Methylene-bis(6-tert-butyl-4-methylphenol)|2,2'-METHYLENEBIS(4-METHYL-6-TERT-BUTYL PHENOL)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-p-cresol)|2,2'-Methylenebis(6-tert-butyl-4-methylphenol)|2,2'-Methylenebis(6-tert-butyl-p-cresol)|2,2'-Methylenebis[4-methyl-6-t-butylphenol]|2,2'-Methylenebis[4-methyl-6-tert-butylphenol]|2,2'-Methylenebis[6-(1,1-dimethylethyl)-4-methyl)phenol|2,2'-Methylenebis[6-tert-butyl-p-cresol]|3,3'-Di-tert-butyl-2,2'-dihydroxy-5,5'-dimethyldiphenylmethane|4-06-00-06801|6,6'-di-terc-butil-2,2'-metilendi-p-cresol|6,6'-Di-tert-butyl-2,2'-methylendi-p-kresol|6,6'-Di-tert-butyl-2,2'-methylenedi-p-cresol|6,6'-Di-tert-butyl-4,4'-di|107397-49-9|110736-51-1|111214-56-3|12737-12-1|129514-93-8|149984-87-2|37268-48-7|52683-48-4|537040-81-6|53807-25-3|54650-81-6|56509-58-1|59112-68-4|62339-93-9|67556-84-7|69645-40-5|90297-42-0|92880-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020870
ARPathway2016 ARPathway2016_33 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1 DTXSID4020870 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.234 Unitless CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1|2,2'-Methylenebis(4-methyl-6-tert-butylphenol)|2,2-Methylenebis(4-methyl-6-t-butylphenol)|2,2'-Bis-6-terc.butyl-p-kresylmethan|2,2'-Bis(4-methyl-6-tert-butylphenol)methane|2,2'-Methanediylbis(6-tert-butyl-4-methylphenol)|2,2'-METHYLEN-BIS-(6-TERT-BUTYL-P-KRESOL)|2,2'-Methylene bis[6-(1,1-dimethylethyl)-4-methylphenol]|2,2'-METHYLENE-BIS-(4-METHYL-6-TERT-BUTYLPHENOL)|2,2'-Methylene-bis(4-methyl-6-t-butylphenol)|2,2'-Methylene-bis(6-tert-butyl-4-methylphenol)|2,2'-METHYLENEBIS(4-METHYL-6-TERT-BUTYL PHENOL)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-p-cresol)|2,2'-Methylenebis(6-tert-butyl-4-methylphenol)|2,2'-Methylenebis(6-tert-butyl-p-cresol)|2,2'-Methylenebis[4-methyl-6-t-butylphenol]|2,2'-Methylenebis[4-methyl-6-tert-butylphenol]|2,2'-Methylenebis[6-(1,1-dimethylethyl)-4-methyl)phenol|2,2'-Methylenebis[6-tert-butyl-p-cresol]|3,3'-Di-tert-butyl-2,2'-dihydroxy-5,5'-dimethyldiphenylmethane|4-06-00-06801|6,6'-di-terc-butil-2,2'-metilendi-p-cresol|6,6'-Di-tert-butyl-2,2'-methylendi-p-kresol|6,6'-Di-tert-butyl-2,2'-methylenedi-p-cresol|6,6'-Di-tert-butyl-4,4'-di|107397-49-9|110736-51-1|111214-56-3|12737-12-1|129514-93-8|149984-87-2|37268-48-7|52683-48-4|537040-81-6|53807-25-3|54650-81-6|56509-58-1|59112-68-4|62339-93-9|67556-84-7|69645-40-5|90297-42-0|92880-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020870
ARPathway2016 ARPathway2016_33 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1 DTXSID4020870 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1|2,2'-Methylenebis(4-methyl-6-tert-butylphenol)|2,2-Methylenebis(4-methyl-6-t-butylphenol)|2,2'-Bis-6-terc.butyl-p-kresylmethan|2,2'-Bis(4-methyl-6-tert-butylphenol)methane|2,2'-Methanediylbis(6-tert-butyl-4-methylphenol)|2,2'-METHYLEN-BIS-(6-TERT-BUTYL-P-KRESOL)|2,2'-Methylene bis[6-(1,1-dimethylethyl)-4-methylphenol]|2,2'-METHYLENE-BIS-(4-METHYL-6-TERT-BUTYLPHENOL)|2,2'-Methylene-bis(4-methyl-6-t-butylphenol)|2,2'-Methylene-bis(6-tert-butyl-4-methylphenol)|2,2'-METHYLENEBIS(4-METHYL-6-TERT-BUTYL PHENOL)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-p-cresol)|2,2'-Methylenebis(6-tert-butyl-4-methylphenol)|2,2'-Methylenebis(6-tert-butyl-p-cresol)|2,2'-Methylenebis[4-methyl-6-t-butylphenol]|2,2'-Methylenebis[4-methyl-6-tert-butylphenol]|2,2'-Methylenebis[6-(1,1-dimethylethyl)-4-methyl)phenol|2,2'-Methylenebis[6-tert-butyl-p-cresol]|3,3'-Di-tert-butyl-2,2'-dihydroxy-5,5'-dimethyldiphenylmethane|4-06-00-06801|6,6'-di-terc-butil-2,2'-metilendi-p-cresol|6,6'-Di-tert-butyl-2,2'-methylendi-p-kresol|6,6'-Di-tert-butyl-2,2'-methylenedi-p-cresol|6,6'-Di-tert-butyl-4,4'-di|107397-49-9|110736-51-1|111214-56-3|12737-12-1|129514-93-8|149984-87-2|37268-48-7|52683-48-4|537040-81-6|53807-25-3|54650-81-6|56509-58-1|59112-68-4|62339-93-9|67556-84-7|69645-40-5|90297-42-0|92880-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020870
ARPathway2016 ARPathway2016_33 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1 DTXSID4020870 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1|2,2'-Methylenebis(4-methyl-6-tert-butylphenol)|2,2-Methylenebis(4-methyl-6-t-butylphenol)|2,2'-Bis-6-terc.butyl-p-kresylmethan|2,2'-Bis(4-methyl-6-tert-butylphenol)methane|2,2'-Methanediylbis(6-tert-butyl-4-methylphenol)|2,2'-METHYLEN-BIS-(6-TERT-BUTYL-P-KRESOL)|2,2'-Methylene bis[6-(1,1-dimethylethyl)-4-methylphenol]|2,2'-METHYLENE-BIS-(4-METHYL-6-TERT-BUTYLPHENOL)|2,2'-Methylene-bis(4-methyl-6-t-butylphenol)|2,2'-Methylene-bis(6-tert-butyl-4-methylphenol)|2,2'-METHYLENEBIS(4-METHYL-6-TERT-BUTYL PHENOL)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-p-cresol)|2,2'-Methylenebis(6-tert-butyl-4-methylphenol)|2,2'-Methylenebis(6-tert-butyl-p-cresol)|2,2'-Methylenebis[4-methyl-6-t-butylphenol]|2,2'-Methylenebis[4-methyl-6-tert-butylphenol]|2,2'-Methylenebis[6-(1,1-dimethylethyl)-4-methyl)phenol|2,2'-Methylenebis[6-tert-butyl-p-cresol]|3,3'-Di-tert-butyl-2,2'-dihydroxy-5,5'-dimethyldiphenylmethane|4-06-00-06801|6,6'-di-terc-butil-2,2'-metilendi-p-cresol|6,6'-Di-tert-butyl-2,2'-methylendi-p-kresol|6,6'-Di-tert-butyl-2,2'-methylenedi-p-cresol|6,6'-Di-tert-butyl-4,4'-di|107397-49-9|110736-51-1|111214-56-3|12737-12-1|129514-93-8|149984-87-2|37268-48-7|52683-48-4|537040-81-6|53807-25-3|54650-81-6|56509-58-1|59112-68-4|62339-93-9|67556-84-7|69645-40-5|90297-42-0|92880-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020870
ARPathway2016 ARPathway2016_33 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1 DTXSID4020870 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1|2,2'-Methylenebis(4-methyl-6-tert-butylphenol)|2,2-Methylenebis(4-methyl-6-t-butylphenol)|2,2'-Bis-6-terc.butyl-p-kresylmethan|2,2'-Bis(4-methyl-6-tert-butylphenol)methane|2,2'-Methanediylbis(6-tert-butyl-4-methylphenol)|2,2'-METHYLEN-BIS-(6-TERT-BUTYL-P-KRESOL)|2,2'-Methylene bis[6-(1,1-dimethylethyl)-4-methylphenol]|2,2'-METHYLENE-BIS-(4-METHYL-6-TERT-BUTYLPHENOL)|2,2'-Methylene-bis(4-methyl-6-t-butylphenol)|2,2'-Methylene-bis(6-tert-butyl-4-methylphenol)|2,2'-METHYLENEBIS(4-METHYL-6-TERT-BUTYL PHENOL)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-p-cresol)|2,2'-Methylenebis(6-tert-butyl-4-methylphenol)|2,2'-Methylenebis(6-tert-butyl-p-cresol)|2,2'-Methylenebis[4-methyl-6-t-butylphenol]|2,2'-Methylenebis[4-methyl-6-tert-butylphenol]|2,2'-Methylenebis[6-(1,1-dimethylethyl)-4-methyl)phenol|2,2'-Methylenebis[6-tert-butyl-p-cresol]|3,3'-Di-tert-butyl-2,2'-dihydroxy-5,5'-dimethyldiphenylmethane|4-06-00-06801|6,6'-di-terc-butil-2,2'-metilendi-p-cresol|6,6'-Di-tert-butyl-2,2'-methylendi-p-kresol|6,6'-Di-tert-butyl-2,2'-methylenedi-p-cresol|6,6'-Di-tert-butyl-4,4'-di|107397-49-9|110736-51-1|111214-56-3|12737-12-1|129514-93-8|149984-87-2|37268-48-7|52683-48-4|537040-81-6|53807-25-3|54650-81-6|56509-58-1|59112-68-4|62339-93-9|67556-84-7|69645-40-5|90297-42-0|92880-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020870
ERPathway2016 ERPathway2016_484 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1 DTXSID4020870 ER Pathway Model, Antagonist AC50 37.1817167700206 uM CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1|2,2'-Methylenebis(4-methyl-6-tert-butylphenol)|2,2-Methylenebis(4-methyl-6-t-butylphenol)|2,2'-Bis-6-terc.butyl-p-kresylmethan|2,2'-Bis(4-methyl-6-tert-butylphenol)methane|2,2'-Methanediylbis(6-tert-butyl-4-methylphenol)|2,2'-METHYLEN-BIS-(6-TERT-BUTYL-P-KRESOL)|2,2'-Methylene bis[6-(1,1-dimethylethyl)-4-methylphenol]|2,2'-METHYLENE-BIS-(4-METHYL-6-TERT-BUTYLPHENOL)|2,2'-Methylene-bis(4-methyl-6-t-butylphenol)|2,2'-Methylene-bis(6-tert-butyl-4-methylphenol)|2,2'-METHYLENEBIS(4-METHYL-6-TERT-BUTYL PHENOL)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-p-cresol)|2,2'-Methylenebis(6-tert-butyl-4-methylphenol)|2,2'-Methylenebis(6-tert-butyl-p-cresol)|2,2'-Methylenebis[4-methyl-6-t-butylphenol]|2,2'-Methylenebis[4-methyl-6-tert-butylphenol]|2,2'-Methylenebis[6-(1,1-dimethylethyl)-4-methyl)phenol|2,2'-Methylenebis[6-tert-butyl-p-cresol]|3,3'-Di-tert-butyl-2,2'-dihydroxy-5,5'-dimethyldiphenylmethane|4-06-00-06801|6,6'-di-terc-butil-2,2'-metilendi-p-cresol|6,6'-Di-tert-butyl-2,2'-methylendi-p-kresol|6,6'-Di-tert-butyl-2,2'-methylenedi-p-cresol|6,6'-Di-tert-butyl-4,4'-di|107397-49-9|110736-51-1|111214-56-3|12737-12-1|129514-93-8|149984-87-2|37268-48-7|52683-48-4|537040-81-6|53807-25-3|54650-81-6|56509-58-1|59112-68-4|62339-93-9|67556-84-7|69645-40-5|90297-42-0|92880-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020870
ERPathway2016 ERPathway2016_484 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1 DTXSID4020870 ER Pathway Model, Antagonist ACC 25.0286813999498 uM CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1|2,2'-Methylenebis(4-methyl-6-tert-butylphenol)|2,2-Methylenebis(4-methyl-6-t-butylphenol)|2,2'-Bis-6-terc.butyl-p-kresylmethan|2,2'-Bis(4-methyl-6-tert-butylphenol)methane|2,2'-Methanediylbis(6-tert-butyl-4-methylphenol)|2,2'-METHYLEN-BIS-(6-TERT-BUTYL-P-KRESOL)|2,2'-Methylene bis[6-(1,1-dimethylethyl)-4-methylphenol]|2,2'-METHYLENE-BIS-(4-METHYL-6-TERT-BUTYLPHENOL)|2,2'-Methylene-bis(4-methyl-6-t-butylphenol)|2,2'-Methylene-bis(6-tert-butyl-4-methylphenol)|2,2'-METHYLENEBIS(4-METHYL-6-TERT-BUTYL PHENOL)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-p-cresol)|2,2'-Methylenebis(6-tert-butyl-4-methylphenol)|2,2'-Methylenebis(6-tert-butyl-p-cresol)|2,2'-Methylenebis[4-methyl-6-t-butylphenol]|2,2'-Methylenebis[4-methyl-6-tert-butylphenol]|2,2'-Methylenebis[6-(1,1-dimethylethyl)-4-methyl)phenol|2,2'-Methylenebis[6-tert-butyl-p-cresol]|3,3'-Di-tert-butyl-2,2'-dihydroxy-5,5'-dimethyldiphenylmethane|4-06-00-06801|6,6'-di-terc-butil-2,2'-metilendi-p-cresol|6,6'-Di-tert-butyl-2,2'-methylendi-p-kresol|6,6'-Di-tert-butyl-2,2'-methylenedi-p-cresol|6,6'-Di-tert-butyl-4,4'-di|107397-49-9|110736-51-1|111214-56-3|12737-12-1|129514-93-8|149984-87-2|37268-48-7|52683-48-4|537040-81-6|53807-25-3|54650-81-6|56509-58-1|59112-68-4|62339-93-9|67556-84-7|69645-40-5|90297-42-0|92880-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020870
ERPathway2016 ERPathway2016_484 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1 DTXSID4020870 ER Pathway Model, Agonist Model Score 0.00113 Unitless CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1|2,2'-Methylenebis(4-methyl-6-tert-butylphenol)|2,2-Methylenebis(4-methyl-6-t-butylphenol)|2,2'-Bis-6-terc.butyl-p-kresylmethan|2,2'-Bis(4-methyl-6-tert-butylphenol)methane|2,2'-Methanediylbis(6-tert-butyl-4-methylphenol)|2,2'-METHYLEN-BIS-(6-TERT-BUTYL-P-KRESOL)|2,2'-Methylene bis[6-(1,1-dimethylethyl)-4-methylphenol]|2,2'-METHYLENE-BIS-(4-METHYL-6-TERT-BUTYLPHENOL)|2,2'-Methylene-bis(4-methyl-6-t-butylphenol)|2,2'-Methylene-bis(6-tert-butyl-4-methylphenol)|2,2'-METHYLENEBIS(4-METHYL-6-TERT-BUTYL PHENOL)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-p-cresol)|2,2'-Methylenebis(6-tert-butyl-4-methylphenol)|2,2'-Methylenebis(6-tert-butyl-p-cresol)|2,2'-Methylenebis[4-methyl-6-t-butylphenol]|2,2'-Methylenebis[4-methyl-6-tert-butylphenol]|2,2'-Methylenebis[6-(1,1-dimethylethyl)-4-methyl)phenol|2,2'-Methylenebis[6-tert-butyl-p-cresol]|3,3'-Di-tert-butyl-2,2'-dihydroxy-5,5'-dimethyldiphenylmethane|4-06-00-06801|6,6'-di-terc-butil-2,2'-metilendi-p-cresol|6,6'-Di-tert-butyl-2,2'-methylendi-p-kresol|6,6'-Di-tert-butyl-2,2'-methylenedi-p-cresol|6,6'-Di-tert-butyl-4,4'-di|107397-49-9|110736-51-1|111214-56-3|12737-12-1|129514-93-8|149984-87-2|37268-48-7|52683-48-4|537040-81-6|53807-25-3|54650-81-6|56509-58-1|59112-68-4|62339-93-9|67556-84-7|69645-40-5|90297-42-0|92880-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020870
ERPathway2016 ERPathway2016_484 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1 DTXSID4020870 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1|2,2'-Methylenebis(4-methyl-6-tert-butylphenol)|2,2-Methylenebis(4-methyl-6-t-butylphenol)|2,2'-Bis-6-terc.butyl-p-kresylmethan|2,2'-Bis(4-methyl-6-tert-butylphenol)methane|2,2'-Methanediylbis(6-tert-butyl-4-methylphenol)|2,2'-METHYLEN-BIS-(6-TERT-BUTYL-P-KRESOL)|2,2'-Methylene bis[6-(1,1-dimethylethyl)-4-methylphenol]|2,2'-METHYLENE-BIS-(4-METHYL-6-TERT-BUTYLPHENOL)|2,2'-Methylene-bis(4-methyl-6-t-butylphenol)|2,2'-Methylene-bis(6-tert-butyl-4-methylphenol)|2,2'-METHYLENEBIS(4-METHYL-6-TERT-BUTYL PHENOL)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-p-cresol)|2,2'-Methylenebis(6-tert-butyl-4-methylphenol)|2,2'-Methylenebis(6-tert-butyl-p-cresol)|2,2'-Methylenebis[4-methyl-6-t-butylphenol]|2,2'-Methylenebis[4-methyl-6-tert-butylphenol]|2,2'-Methylenebis[6-(1,1-dimethylethyl)-4-methyl)phenol|2,2'-Methylenebis[6-tert-butyl-p-cresol]|3,3'-Di-tert-butyl-2,2'-dihydroxy-5,5'-dimethyldiphenylmethane|4-06-00-06801|6,6'-di-terc-butil-2,2'-metilendi-p-cresol|6,6'-Di-tert-butyl-2,2'-methylendi-p-kresol|6,6'-Di-tert-butyl-2,2'-methylenedi-p-cresol|6,6'-Di-tert-butyl-4,4'-di|107397-49-9|110736-51-1|111214-56-3|12737-12-1|129514-93-8|149984-87-2|37268-48-7|52683-48-4|537040-81-6|53807-25-3|54650-81-6|56509-58-1|59112-68-4|62339-93-9|67556-84-7|69645-40-5|90297-42-0|92880-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020870
ERPathway2016 ERPathway2016_484 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1 DTXSID4020870 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1|2,2'-Methylenebis(4-methyl-6-tert-butylphenol)|2,2-Methylenebis(4-methyl-6-t-butylphenol)|2,2'-Bis-6-terc.butyl-p-kresylmethan|2,2'-Bis(4-methyl-6-tert-butylphenol)methane|2,2'-Methanediylbis(6-tert-butyl-4-methylphenol)|2,2'-METHYLEN-BIS-(6-TERT-BUTYL-P-KRESOL)|2,2'-Methylene bis[6-(1,1-dimethylethyl)-4-methylphenol]|2,2'-METHYLENE-BIS-(4-METHYL-6-TERT-BUTYLPHENOL)|2,2'-Methylene-bis(4-methyl-6-t-butylphenol)|2,2'-Methylene-bis(6-tert-butyl-4-methylphenol)|2,2'-METHYLENEBIS(4-METHYL-6-TERT-BUTYL PHENOL)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-p-cresol)|2,2'-Methylenebis(6-tert-butyl-4-methylphenol)|2,2'-Methylenebis(6-tert-butyl-p-cresol)|2,2'-Methylenebis[4-methyl-6-t-butylphenol]|2,2'-Methylenebis[4-methyl-6-tert-butylphenol]|2,2'-Methylenebis[6-(1,1-dimethylethyl)-4-methyl)phenol|2,2'-Methylenebis[6-tert-butyl-p-cresol]|3,3'-Di-tert-butyl-2,2'-dihydroxy-5,5'-dimethyldiphenylmethane|4-06-00-06801|6,6'-di-terc-butil-2,2'-metilendi-p-cresol|6,6'-Di-tert-butyl-2,2'-methylendi-p-kresol|6,6'-Di-tert-butyl-2,2'-methylenedi-p-cresol|6,6'-Di-tert-butyl-4,4'-di|107397-49-9|110736-51-1|111214-56-3|12737-12-1|129514-93-8|149984-87-2|37268-48-7|52683-48-4|537040-81-6|53807-25-3|54650-81-6|56509-58-1|59112-68-4|62339-93-9|67556-84-7|69645-40-5|90297-42-0|92880-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020870
ERPathway2016 ERPathway2016_484 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1 DTXSID4020870 ER Pathway Model, Antagonist Call Active Unitless CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(4-methyl-6-tert-butylphenol) 119-47-1|2,2'-Methylenebis(4-methyl-6-tert-butylphenol)|2,2-Methylenebis(4-methyl-6-t-butylphenol)|2,2'-Bis-6-terc.butyl-p-kresylmethan|2,2'-Bis(4-methyl-6-tert-butylphenol)methane|2,2'-Methanediylbis(6-tert-butyl-4-methylphenol)|2,2'-METHYLEN-BIS-(6-TERT-BUTYL-P-KRESOL)|2,2'-Methylene bis[6-(1,1-dimethylethyl)-4-methylphenol]|2,2'-METHYLENE-BIS-(4-METHYL-6-TERT-BUTYLPHENOL)|2,2'-Methylene-bis(4-methyl-6-t-butylphenol)|2,2'-Methylene-bis(6-tert-butyl-4-methylphenol)|2,2'-METHYLENEBIS(4-METHYL-6-TERT-BUTYL PHENOL)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-p-cresol)|2,2'-Methylenebis(6-tert-butyl-4-methylphenol)|2,2'-Methylenebis(6-tert-butyl-p-cresol)|2,2'-Methylenebis[4-methyl-6-t-butylphenol]|2,2'-Methylenebis[4-methyl-6-tert-butylphenol]|2,2'-Methylenebis[6-(1,1-dimethylethyl)-4-methyl)phenol|2,2'-Methylenebis[6-tert-butyl-p-cresol]|3,3'-Di-tert-butyl-2,2'-dihydroxy-5,5'-dimethyldiphenylmethane|4-06-00-06801|6,6'-di-terc-butil-2,2'-metilendi-p-cresol|6,6'-Di-tert-butyl-2,2'-methylendi-p-kresol|6,6'-Di-tert-butyl-2,2'-methylenedi-p-cresol|6,6'-Di-tert-butyl-4,4'-di|107397-49-9|110736-51-1|111214-56-3|12737-12-1|129514-93-8|149984-87-2|37268-48-7|52683-48-4|537040-81-6|53807-25-3|54650-81-6|56509-58-1|59112-68-4|62339-93-9|67556-84-7|69645-40-5|90297-42-0|92880-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020870
ARPathway2016 ARPathway2016_305 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4 DTXSID7038864 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 19.5746361391783 uM CCC1=CC(CC2=C(O)C(=CC(CC)=C2)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4|2,2'-Methylenebis(ethyl-6-tert-butylphenol)|2,2-Methylenebis(4-ethyl-6-t-butylphenol)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-4-ethylphenol)|2,2'-Methylenebis(6-(tert-butyl)-4-ethylphenol)|2,2'-Methylenebis(6-tert-butyl-4-ethylphenol)|4-06-00-06806|Antage W 500|Antioxidant 425|Bis(2-hydroxy-3-tert-butyl-5-ethylphenyl)methane|Bis(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methane|BRN 2016207|Chemanox 22|Cyanox 425|EINECS 201-814-0|Nocrac NS 5|NSC 7782|Phenol, 2,2'-methylenebis(6-tert-butyl-4-ethyl-|Plastanox 425|Plastanox 425 antioxidant|UNII-RZW97F6CTS|Yoshinox 425|76723-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7038864
ARPathway2016 ARPathway2016_305 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4 DTXSID7038864 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 13.3479103703592 uM CCC1=CC(CC2=C(O)C(=CC(CC)=C2)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4|2,2'-Methylenebis(ethyl-6-tert-butylphenol)|2,2-Methylenebis(4-ethyl-6-t-butylphenol)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-4-ethylphenol)|2,2'-Methylenebis(6-(tert-butyl)-4-ethylphenol)|2,2'-Methylenebis(6-tert-butyl-4-ethylphenol)|4-06-00-06806|Antage W 500|Antioxidant 425|Bis(2-hydroxy-3-tert-butyl-5-ethylphenyl)methane|Bis(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methane|BRN 2016207|Chemanox 22|Cyanox 425|EINECS 201-814-0|Nocrac NS 5|NSC 7782|Phenol, 2,2'-methylenebis(6-tert-butyl-4-ethyl-|Plastanox 425|Plastanox 425 antioxidant|UNII-RZW97F6CTS|Yoshinox 425|76723-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7038864
ARPathway2016 ARPathway2016_305 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4 DTXSID7038864 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.215 Unitless CCC1=CC(CC2=C(O)C(=CC(CC)=C2)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4|2,2'-Methylenebis(ethyl-6-tert-butylphenol)|2,2-Methylenebis(4-ethyl-6-t-butylphenol)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-4-ethylphenol)|2,2'-Methylenebis(6-(tert-butyl)-4-ethylphenol)|2,2'-Methylenebis(6-tert-butyl-4-ethylphenol)|4-06-00-06806|Antage W 500|Antioxidant 425|Bis(2-hydroxy-3-tert-butyl-5-ethylphenyl)methane|Bis(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methane|BRN 2016207|Chemanox 22|Cyanox 425|EINECS 201-814-0|Nocrac NS 5|NSC 7782|Phenol, 2,2'-methylenebis(6-tert-butyl-4-ethyl-|Plastanox 425|Plastanox 425 antioxidant|UNII-RZW97F6CTS|Yoshinox 425|76723-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7038864
ARPathway2016 ARPathway2016_305 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4 DTXSID7038864 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCC1=CC(CC2=C(O)C(=CC(CC)=C2)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4|2,2'-Methylenebis(ethyl-6-tert-butylphenol)|2,2-Methylenebis(4-ethyl-6-t-butylphenol)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-4-ethylphenol)|2,2'-Methylenebis(6-(tert-butyl)-4-ethylphenol)|2,2'-Methylenebis(6-tert-butyl-4-ethylphenol)|4-06-00-06806|Antage W 500|Antioxidant 425|Bis(2-hydroxy-3-tert-butyl-5-ethylphenyl)methane|Bis(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methane|BRN 2016207|Chemanox 22|Cyanox 425|EINECS 201-814-0|Nocrac NS 5|NSC 7782|Phenol, 2,2'-methylenebis(6-tert-butyl-4-ethyl-|Plastanox 425|Plastanox 425 antioxidant|UNII-RZW97F6CTS|Yoshinox 425|76723-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7038864
ARPathway2016 ARPathway2016_305 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4 DTXSID7038864 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCC1=CC(CC2=C(O)C(=CC(CC)=C2)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4|2,2'-Methylenebis(ethyl-6-tert-butylphenol)|2,2-Methylenebis(4-ethyl-6-t-butylphenol)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-4-ethylphenol)|2,2'-Methylenebis(6-(tert-butyl)-4-ethylphenol)|2,2'-Methylenebis(6-tert-butyl-4-ethylphenol)|4-06-00-06806|Antage W 500|Antioxidant 425|Bis(2-hydroxy-3-tert-butyl-5-ethylphenyl)methane|Bis(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methane|BRN 2016207|Chemanox 22|Cyanox 425|EINECS 201-814-0|Nocrac NS 5|NSC 7782|Phenol, 2,2'-methylenebis(6-tert-butyl-4-ethyl-|Plastanox 425|Plastanox 425 antioxidant|UNII-RZW97F6CTS|Yoshinox 425|76723-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7038864
ARPathway2016 ARPathway2016_305 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4 DTXSID7038864 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCC1=CC(CC2=C(O)C(=CC(CC)=C2)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4|2,2'-Methylenebis(ethyl-6-tert-butylphenol)|2,2-Methylenebis(4-ethyl-6-t-butylphenol)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-4-ethylphenol)|2,2'-Methylenebis(6-(tert-butyl)-4-ethylphenol)|2,2'-Methylenebis(6-tert-butyl-4-ethylphenol)|4-06-00-06806|Antage W 500|Antioxidant 425|Bis(2-hydroxy-3-tert-butyl-5-ethylphenyl)methane|Bis(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methane|BRN 2016207|Chemanox 22|Cyanox 425|EINECS 201-814-0|Nocrac NS 5|NSC 7782|Phenol, 2,2'-methylenebis(6-tert-butyl-4-ethyl-|Plastanox 425|Plastanox 425 antioxidant|UNII-RZW97F6CTS|Yoshinox 425|76723-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7038864
ERPathway2016 ERPathway2016_566 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4 DTXSID7038864 R9 ER Pathway Model, Agonist Model Score 0 Unitless CCC1=CC(CC2=C(O)C(=CC(CC)=C2)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4|2,2'-Methylenebis(ethyl-6-tert-butylphenol)|2,2-Methylenebis(4-ethyl-6-t-butylphenol)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-4-ethylphenol)|2,2'-Methylenebis(6-(tert-butyl)-4-ethylphenol)|2,2'-Methylenebis(6-tert-butyl-4-ethylphenol)|4-06-00-06806|Antage W 500|Antioxidant 425|Bis(2-hydroxy-3-tert-butyl-5-ethylphenyl)methane|Bis(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methane|BRN 2016207|Chemanox 22|Cyanox 425|EINECS 201-814-0|Nocrac NS 5|NSC 7782|Phenol, 2,2'-methylenebis(6-tert-butyl-4-ethyl-|Plastanox 425|Plastanox 425 antioxidant|UNII-RZW97F6CTS|Yoshinox 425|76723-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7038864
ERPathway2016 ERPathway2016_566 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4 DTXSID7038864 R9 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=CC(CC2=C(O)C(=CC(CC)=C2)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4|2,2'-Methylenebis(ethyl-6-tert-butylphenol)|2,2-Methylenebis(4-ethyl-6-t-butylphenol)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-4-ethylphenol)|2,2'-Methylenebis(6-(tert-butyl)-4-ethylphenol)|2,2'-Methylenebis(6-tert-butyl-4-ethylphenol)|4-06-00-06806|Antage W 500|Antioxidant 425|Bis(2-hydroxy-3-tert-butyl-5-ethylphenyl)methane|Bis(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methane|BRN 2016207|Chemanox 22|Cyanox 425|EINECS 201-814-0|Nocrac NS 5|NSC 7782|Phenol, 2,2'-methylenebis(6-tert-butyl-4-ethyl-|Plastanox 425|Plastanox 425 antioxidant|UNII-RZW97F6CTS|Yoshinox 425|76723-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7038864
ERPathway2016 ERPathway2016_566 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4 DTXSID7038864 R9 ER Pathway Model, Agonist Call Inactive Unitless CCC1=CC(CC2=C(O)C(=CC(CC)=C2)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4|2,2'-Methylenebis(ethyl-6-tert-butylphenol)|2,2-Methylenebis(4-ethyl-6-t-butylphenol)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-4-ethylphenol)|2,2'-Methylenebis(6-(tert-butyl)-4-ethylphenol)|2,2'-Methylenebis(6-tert-butyl-4-ethylphenol)|4-06-00-06806|Antage W 500|Antioxidant 425|Bis(2-hydroxy-3-tert-butyl-5-ethylphenyl)methane|Bis(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methane|BRN 2016207|Chemanox 22|Cyanox 425|EINECS 201-814-0|Nocrac NS 5|NSC 7782|Phenol, 2,2'-methylenebis(6-tert-butyl-4-ethyl-|Plastanox 425|Plastanox 425 antioxidant|UNII-RZW97F6CTS|Yoshinox 425|76723-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7038864
ERPathway2016 ERPathway2016_566 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4 DTXSID7038864 R9 ER Pathway Model, Antagonist Call Inactive Unitless CCC1=CC(CC2=C(O)C(=CC(CC)=C2)C(C)(C)C)=C(O)C(=C1)C(C)(C)C 2,2'-Methylenebis(ethyl-6-tert-butylphenol) 88-24-4|2,2'-Methylenebis(ethyl-6-tert-butylphenol)|2,2-Methylenebis(4-ethyl-6-t-butylphenol)|2,2'-Methylenebis(6-(1,1-dimethylethyl)-4-ethylphenol)|2,2'-Methylenebis(6-(tert-butyl)-4-ethylphenol)|2,2'-Methylenebis(6-tert-butyl-4-ethylphenol)|4-06-00-06806|Antage W 500|Antioxidant 425|Bis(2-hydroxy-3-tert-butyl-5-ethylphenyl)methane|Bis(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methane|BRN 2016207|Chemanox 22|Cyanox 425|EINECS 201-814-0|Nocrac NS 5|NSC 7782|Phenol, 2,2'-methylenebis(6-tert-butyl-4-ethyl-|Plastanox 425|Plastanox 425 antioxidant|UNII-RZW97F6CTS|Yoshinox 425|76723-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7038864
ARPathway2016 ARPathway2016_128 2,2'-Methylenebis[phenol] 2467-02-9 DTXSID4022446 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 22.415732733877 uM OC1=C(CC2=C(O)C=CC=C2)C=CC=C1 2,2'-Methylenebis[phenol] 2467-02-9|2,2'-Methylenebis[phenol]|2,2'-Bis(hydroxyphenyl)methane|2,2'-Bisphenol F|2,2'-Dihydroxydiphenylmethane|2,2'-Methylenebis(phenol)|2,2'-Methylenediphenol|2,2'-metilenodifenol|bis(2-Hydroxyphenyl)methane|EINECS 219-578-2|NSC 402103|o-(o-Hydroxybenzyl)phenol|o,o'-Bis(hydroxyphenyl)methane|Phenol, 2, 2'- methylenebis-|Phenol, 2,2'-methylenedi-|UNII-04D0A23747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022446
ARPathway2016 ARPathway2016_128 2,2'-Methylenebis[phenol] 2467-02-9 DTXSID4022446 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 42.5602471151593 uM OC1=C(CC2=C(O)C=CC=C2)C=CC=C1 2,2'-Methylenebis[phenol] 2467-02-9|2,2'-Methylenebis[phenol]|2,2'-Bis(hydroxyphenyl)methane|2,2'-Bisphenol F|2,2'-Dihydroxydiphenylmethane|2,2'-Methylenebis(phenol)|2,2'-Methylenediphenol|2,2'-metilenodifenol|bis(2-Hydroxyphenyl)methane|EINECS 219-578-2|NSC 402103|o-(o-Hydroxybenzyl)phenol|o,o'-Bis(hydroxyphenyl)methane|Phenol, 2, 2'- methylenebis-|Phenol, 2,2'-methylenedi-|UNII-04D0A23747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022446
ARPathway2016 ARPathway2016_128 2,2'-Methylenebis[phenol] 2467-02-9 DTXSID4022446 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0785 Unitless OC1=C(CC2=C(O)C=CC=C2)C=CC=C1 2,2'-Methylenebis[phenol] 2467-02-9|2,2'-Methylenebis[phenol]|2,2'-Bis(hydroxyphenyl)methane|2,2'-Bisphenol F|2,2'-Dihydroxydiphenylmethane|2,2'-Methylenebis(phenol)|2,2'-Methylenediphenol|2,2'-metilenodifenol|bis(2-Hydroxyphenyl)methane|EINECS 219-578-2|NSC 402103|o-(o-Hydroxybenzyl)phenol|o,o'-Bis(hydroxyphenyl)methane|Phenol, 2, 2'- methylenebis-|Phenol, 2,2'-methylenedi-|UNII-04D0A23747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022446
ARPathway2016 ARPathway2016_128 2,2'-Methylenebis[phenol] 2467-02-9 DTXSID4022446 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC1=C(CC2=C(O)C=CC=C2)C=CC=C1 2,2'-Methylenebis[phenol] 2467-02-9|2,2'-Methylenebis[phenol]|2,2'-Bis(hydroxyphenyl)methane|2,2'-Bisphenol F|2,2'-Dihydroxydiphenylmethane|2,2'-Methylenebis(phenol)|2,2'-Methylenediphenol|2,2'-metilenodifenol|bis(2-Hydroxyphenyl)methane|EINECS 219-578-2|NSC 402103|o-(o-Hydroxybenzyl)phenol|o,o'-Bis(hydroxyphenyl)methane|Phenol, 2, 2'- methylenebis-|Phenol, 2,2'-methylenedi-|UNII-04D0A23747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022446
ARPathway2016 ARPathway2016_128 2,2'-Methylenebis[phenol] 2467-02-9 DTXSID4022446 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=C(CC2=C(O)C=CC=C2)C=CC=C1 2,2'-Methylenebis[phenol] 2467-02-9|2,2'-Methylenebis[phenol]|2,2'-Bis(hydroxyphenyl)methane|2,2'-Bisphenol F|2,2'-Dihydroxydiphenylmethane|2,2'-Methylenebis(phenol)|2,2'-Methylenediphenol|2,2'-metilenodifenol|bis(2-Hydroxyphenyl)methane|EINECS 219-578-2|NSC 402103|o-(o-Hydroxybenzyl)phenol|o,o'-Bis(hydroxyphenyl)methane|Phenol, 2, 2'- methylenebis-|Phenol, 2,2'-methylenedi-|UNII-04D0A23747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022446
ARPathway2016 ARPathway2016_128 2,2'-Methylenebis[phenol] 2467-02-9 DTXSID4022446 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(CC2=C(O)C=CC=C2)C=CC=C1 2,2'-Methylenebis[phenol] 2467-02-9|2,2'-Methylenebis[phenol]|2,2'-Bis(hydroxyphenyl)methane|2,2'-Bisphenol F|2,2'-Dihydroxydiphenylmethane|2,2'-Methylenebis(phenol)|2,2'-Methylenediphenol|2,2'-metilenodifenol|bis(2-Hydroxyphenyl)methane|EINECS 219-578-2|NSC 402103|o-(o-Hydroxybenzyl)phenol|o,o'-Bis(hydroxyphenyl)methane|Phenol, 2, 2'- methylenebis-|Phenol, 2,2'-methylenedi-|UNII-04D0A23747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022446
ERPathway2016 ERPathway2016_307 2,2'-Methylenebis[phenol] 2467-02-9 DTXSID4022446 ER Pathway Model, Antagonist AC50 30.4052138339144 uM OC1=C(CC2=C(O)C=CC=C2)C=CC=C1 2,2'-Methylenebis[phenol] 2467-02-9|2,2'-Methylenebis[phenol]|2,2'-Bis(hydroxyphenyl)methane|2,2'-Bisphenol F|2,2'-Dihydroxydiphenylmethane|2,2'-Methylenebis(phenol)|2,2'-Methylenediphenol|2,2'-metilenodifenol|bis(2-Hydroxyphenyl)methane|EINECS 219-578-2|NSC 402103|o-(o-Hydroxybenzyl)phenol|o,o'-Bis(hydroxyphenyl)methane|Phenol, 2, 2'- methylenebis-|Phenol, 2,2'-methylenedi-|UNII-04D0A23747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022446
ERPathway2016 ERPathway2016_307 2,2'-Methylenebis[phenol] 2467-02-9 DTXSID4022446 ER Pathway Model, Antagonist ACC 20.8940511642112 uM OC1=C(CC2=C(O)C=CC=C2)C=CC=C1 2,2'-Methylenebis[phenol] 2467-02-9|2,2'-Methylenebis[phenol]|2,2'-Bis(hydroxyphenyl)methane|2,2'-Bisphenol F|2,2'-Dihydroxydiphenylmethane|2,2'-Methylenebis(phenol)|2,2'-Methylenediphenol|2,2'-metilenodifenol|bis(2-Hydroxyphenyl)methane|EINECS 219-578-2|NSC 402103|o-(o-Hydroxybenzyl)phenol|o,o'-Bis(hydroxyphenyl)methane|Phenol, 2, 2'- methylenebis-|Phenol, 2,2'-methylenedi-|UNII-04D0A23747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022446
ERPathway2016 ERPathway2016_307 2,2'-Methylenebis[phenol] 2467-02-9 DTXSID4022446 ER Pathway Model, Agonist Model Score 0.0303 Unitless OC1=C(CC2=C(O)C=CC=C2)C=CC=C1 2,2'-Methylenebis[phenol] 2467-02-9|2,2'-Methylenebis[phenol]|2,2'-Bis(hydroxyphenyl)methane|2,2'-Bisphenol F|2,2'-Dihydroxydiphenylmethane|2,2'-Methylenebis(phenol)|2,2'-Methylenediphenol|2,2'-metilenodifenol|bis(2-Hydroxyphenyl)methane|EINECS 219-578-2|NSC 402103|o-(o-Hydroxybenzyl)phenol|o,o'-Bis(hydroxyphenyl)methane|Phenol, 2, 2'- methylenebis-|Phenol, 2,2'-methylenedi-|UNII-04D0A23747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022446
ERPathway2016 ERPathway2016_307 2,2'-Methylenebis[phenol] 2467-02-9 DTXSID4022446 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C(CC2=C(O)C=CC=C2)C=CC=C1 2,2'-Methylenebis[phenol] 2467-02-9|2,2'-Methylenebis[phenol]|2,2'-Bis(hydroxyphenyl)methane|2,2'-Bisphenol F|2,2'-Dihydroxydiphenylmethane|2,2'-Methylenebis(phenol)|2,2'-Methylenediphenol|2,2'-metilenodifenol|bis(2-Hydroxyphenyl)methane|EINECS 219-578-2|NSC 402103|o-(o-Hydroxybenzyl)phenol|o,o'-Bis(hydroxyphenyl)methane|Phenol, 2, 2'- methylenebis-|Phenol, 2,2'-methylenedi-|UNII-04D0A23747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022446
ERPathway2016 ERPathway2016_307 2,2'-Methylenebis[phenol] 2467-02-9 DTXSID4022446 ER Pathway Model, Agonist Call Inactive Unitless OC1=C(CC2=C(O)C=CC=C2)C=CC=C1 2,2'-Methylenebis[phenol] 2467-02-9|2,2'-Methylenebis[phenol]|2,2'-Bis(hydroxyphenyl)methane|2,2'-Bisphenol F|2,2'-Dihydroxydiphenylmethane|2,2'-Methylenebis(phenol)|2,2'-Methylenediphenol|2,2'-metilenodifenol|bis(2-Hydroxyphenyl)methane|EINECS 219-578-2|NSC 402103|o-(o-Hydroxybenzyl)phenol|o,o'-Bis(hydroxyphenyl)methane|Phenol, 2, 2'- methylenebis-|Phenol, 2,2'-methylenedi-|UNII-04D0A23747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022446
ERPathway2016 ERPathway2016_307 2,2'-Methylenebis[phenol] 2467-02-9 DTXSID4022446 ER Pathway Model, Antagonist Call Active Unitless OC1=C(CC2=C(O)C=CC=C2)C=CC=C1 2,2'-Methylenebis[phenol] 2467-02-9|2,2'-Methylenebis[phenol]|2,2'-Bis(hydroxyphenyl)methane|2,2'-Bisphenol F|2,2'-Dihydroxydiphenylmethane|2,2'-Methylenebis(phenol)|2,2'-Methylenediphenol|2,2'-metilenodifenol|bis(2-Hydroxyphenyl)methane|EINECS 219-578-2|NSC 402103|o-(o-Hydroxybenzyl)phenol|o,o'-Bis(hydroxyphenyl)methane|Phenol, 2, 2'- methylenebis-|Phenol, 2,2'-methylenedi-|UNII-04D0A23747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022446
ARPathway2016 ARPathway2016_1031 2,3,6-Trimethylphenol 2416-94-6 DTXSID6022187 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C)C(O)=C1C 2,3,6-Trimethylphenol 2416-94-6|2,3,6-Trimethylphenol|1-Hydroxy-2,3,6-trimethylbenzene|3-Hydroxypseudocumene|EINECS 219-330-3|NSC 91509|Phenol, 2,3,6-trimethyl-|UNII-05WKL2L5LJ|50356-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022187
ARPathway2016 ARPathway2016_1031 2,3,6-Trimethylphenol 2416-94-6 DTXSID6022187 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C)C(O)=C1C 2,3,6-Trimethylphenol 2416-94-6|2,3,6-Trimethylphenol|1-Hydroxy-2,3,6-trimethylbenzene|3-Hydroxypseudocumene|EINECS 219-330-3|NSC 91509|Phenol, 2,3,6-trimethyl-|UNII-05WKL2L5LJ|50356-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022187
ARPathway2016 ARPathway2016_1031 2,3,6-Trimethylphenol 2416-94-6 DTXSID6022187 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C)C(O)=C1C 2,3,6-Trimethylphenol 2416-94-6|2,3,6-Trimethylphenol|1-Hydroxy-2,3,6-trimethylbenzene|3-Hydroxypseudocumene|EINECS 219-330-3|NSC 91509|Phenol, 2,3,6-trimethyl-|UNII-05WKL2L5LJ|50356-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022187
ARPathway2016 ARPathway2016_1031 2,3,6-Trimethylphenol 2416-94-6 DTXSID6022187 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C)C(O)=C1C 2,3,6-Trimethylphenol 2416-94-6|2,3,6-Trimethylphenol|1-Hydroxy-2,3,6-trimethylbenzene|3-Hydroxypseudocumene|EINECS 219-330-3|NSC 91509|Phenol, 2,3,6-trimethyl-|UNII-05WKL2L5LJ|50356-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022187
ERPathway2016 ERPathway2016_1392 2,3,6-Trimethylphenol 2416-94-6 DTXSID6022187 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C)C(O)=C1C 2,3,6-Trimethylphenol 2416-94-6|2,3,6-Trimethylphenol|1-Hydroxy-2,3,6-trimethylbenzene|3-Hydroxypseudocumene|EINECS 219-330-3|NSC 91509|Phenol, 2,3,6-trimethyl-|UNII-05WKL2L5LJ|50356-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022187
ERPathway2016 ERPathway2016_1392 2,3,6-Trimethylphenol 2416-94-6 DTXSID6022187 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C)C(O)=C1C 2,3,6-Trimethylphenol 2416-94-6|2,3,6-Trimethylphenol|1-Hydroxy-2,3,6-trimethylbenzene|3-Hydroxypseudocumene|EINECS 219-330-3|NSC 91509|Phenol, 2,3,6-trimethyl-|UNII-05WKL2L5LJ|50356-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022187
ERPathway2016 ERPathway2016_1392 2,3,6-Trimethylphenol 2416-94-6 DTXSID6022187 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C)C(O)=C1C 2,3,6-Trimethylphenol 2416-94-6|2,3,6-Trimethylphenol|1-Hydroxy-2,3,6-trimethylbenzene|3-Hydroxypseudocumene|EINECS 219-330-3|NSC 91509|Phenol, 2,3,6-trimethyl-|UNII-05WKL2L5LJ|50356-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022187
ERPathway2016 ERPathway2016_1392 2,3,6-Trimethylphenol 2416-94-6 DTXSID6022187 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C)C(O)=C1C 2,3,6-Trimethylphenol 2416-94-6|2,3,6-Trimethylphenol|1-Hydroxy-2,3,6-trimethylbenzene|3-Hydroxypseudocumene|EINECS 219-330-3|NSC 91509|Phenol, 2,3,6-trimethyl-|UNII-05WKL2L5LJ|50356-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022187
ARPathway2016 ARPathway2016_1088 2,3-Benzofuran 271-89-6 DTXSID6020141 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless O1C=CC2=C1C=CC=C2 2,3-Benzofuran 271-89-6|2,3-Benzofuran|5-17-02-00003|Benzo(b)furan|Benzo[b]furan|Benzofuran|Benzofurane|benzofuranne|benzofurano|Benzofurfuran|BRN 0107704|Coumaron|COUMARONE|Cumarone|EINECS 205-982-6|NCI-C56166|NSC 1255|UNII-LK6946W774 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020141 https://doi.org/10.22427/NTP-DATA-DTXSID6020141
ARPathway2016 ARPathway2016_1088 2,3-Benzofuran 271-89-6 DTXSID6020141 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless O1C=CC2=C1C=CC=C2 2,3-Benzofuran 271-89-6|2,3-Benzofuran|5-17-02-00003|Benzo(b)furan|Benzo[b]furan|Benzofuran|Benzofurane|benzofuranne|benzofurano|Benzofurfuran|BRN 0107704|Coumaron|COUMARONE|Cumarone|EINECS 205-982-6|NCI-C56166|NSC 1255|UNII-LK6946W774 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020141 https://doi.org/10.22427/NTP-DATA-DTXSID6020141
ARPathway2016 ARPathway2016_1088 2,3-Benzofuran 271-89-6 DTXSID6020141 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless O1C=CC2=C1C=CC=C2 2,3-Benzofuran 271-89-6|2,3-Benzofuran|5-17-02-00003|Benzo(b)furan|Benzo[b]furan|Benzofuran|Benzofurane|benzofuranne|benzofurano|Benzofurfuran|BRN 0107704|Coumaron|COUMARONE|Cumarone|EINECS 205-982-6|NCI-C56166|NSC 1255|UNII-LK6946W774 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020141 https://doi.org/10.22427/NTP-DATA-DTXSID6020141
ARPathway2016 ARPathway2016_1088 2,3-Benzofuran 271-89-6 DTXSID6020141 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless O1C=CC2=C1C=CC=C2 2,3-Benzofuran 271-89-6|2,3-Benzofuran|5-17-02-00003|Benzo(b)furan|Benzo[b]furan|Benzofuran|Benzofurane|benzofuranne|benzofurano|Benzofurfuran|BRN 0107704|Coumaron|COUMARONE|Cumarone|EINECS 205-982-6|NCI-C56166|NSC 1255|UNII-LK6946W774 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020141 https://doi.org/10.22427/NTP-DATA-DTXSID6020141
ERPathway2016 ERPathway2016_1421 2,3-Benzofuran 271-89-6 DTXSID6020141 ER Pathway Model, Agonist Model Score 0 Unitless O1C=CC2=C1C=CC=C2 2,3-Benzofuran 271-89-6|2,3-Benzofuran|5-17-02-00003|Benzo(b)furan|Benzo[b]furan|Benzofuran|Benzofurane|benzofuranne|benzofurano|Benzofurfuran|BRN 0107704|Coumaron|COUMARONE|Cumarone|EINECS 205-982-6|NCI-C56166|NSC 1255|UNII-LK6946W774 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020141 https://doi.org/10.22427/NTP-DATA-DTXSID6020141
ERPathway2016 ERPathway2016_1421 2,3-Benzofuran 271-89-6 DTXSID6020141 ER Pathway Model, Antagonist Model Score 0 Unitless O1C=CC2=C1C=CC=C2 2,3-Benzofuran 271-89-6|2,3-Benzofuran|5-17-02-00003|Benzo(b)furan|Benzo[b]furan|Benzofuran|Benzofurane|benzofuranne|benzofurano|Benzofurfuran|BRN 0107704|Coumaron|COUMARONE|Cumarone|EINECS 205-982-6|NCI-C56166|NSC 1255|UNII-LK6946W774 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020141 https://doi.org/10.22427/NTP-DATA-DTXSID6020141
ERPathway2016 ERPathway2016_1421 2,3-Benzofuran 271-89-6 DTXSID6020141 ER Pathway Model, Agonist Call Inactive Unitless O1C=CC2=C1C=CC=C2 2,3-Benzofuran 271-89-6|2,3-Benzofuran|5-17-02-00003|Benzo(b)furan|Benzo[b]furan|Benzofuran|Benzofurane|benzofuranne|benzofurano|Benzofurfuran|BRN 0107704|Coumaron|COUMARONE|Cumarone|EINECS 205-982-6|NCI-C56166|NSC 1255|UNII-LK6946W774 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020141 https://doi.org/10.22427/NTP-DATA-DTXSID6020141
ERPathway2016 ERPathway2016_1421 2,3-Benzofuran 271-89-6 DTXSID6020141 ER Pathway Model, Antagonist Call Inactive Unitless O1C=CC2=C1C=CC=C2 2,3-Benzofuran 271-89-6|2,3-Benzofuran|5-17-02-00003|Benzo(b)furan|Benzo[b]furan|Benzofuran|Benzofurane|benzofuranne|benzofurano|Benzofurfuran|BRN 0107704|Coumaron|COUMARONE|Cumarone|EINECS 205-982-6|NCI-C56166|NSC 1255|UNII-LK6946W774 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020141 https://doi.org/10.22427/NTP-DATA-DTXSID6020141
ARPathway2016 ARPathway2016_1080 2,3-Diaminotoluene 2687-25-4 DTXSID4027494 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(N)C(N)=CC=C1 2,3-Diaminotoluene 2687-25-4|2,3-Diaminotoluene|1-Methyl-2,3-phenylenediamine|1,2-Benzenediamine, 3-methyl-|1,2-Diamino-3-methylbenzene|2,3-Toluylenediamine|2,3-Tolylenediamine|3-13-00-00277|3-Methyl-1,2-benzenediamine|3-Methyl-1,2-phenylenediamine|3-Methyl-o-phenylenediamine|3-Methylbenzene-1,2-diamine|BRN 0907184|EINECS 220-248-5|Toluene-2,3-diamine|Toluene, 2,3-diamino-|UNII-SR8WC7LLQ2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027494
ARPathway2016 ARPathway2016_1080 2,3-Diaminotoluene 2687-25-4 DTXSID4027494 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(N)C(N)=CC=C1 2,3-Diaminotoluene 2687-25-4|2,3-Diaminotoluene|1-Methyl-2,3-phenylenediamine|1,2-Benzenediamine, 3-methyl-|1,2-Diamino-3-methylbenzene|2,3-Toluylenediamine|2,3-Tolylenediamine|3-13-00-00277|3-Methyl-1,2-benzenediamine|3-Methyl-1,2-phenylenediamine|3-Methyl-o-phenylenediamine|3-Methylbenzene-1,2-diamine|BRN 0907184|EINECS 220-248-5|Toluene-2,3-diamine|Toluene, 2,3-diamino-|UNII-SR8WC7LLQ2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027494
ARPathway2016 ARPathway2016_1080 2,3-Diaminotoluene 2687-25-4 DTXSID4027494 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(N)C(N)=CC=C1 2,3-Diaminotoluene 2687-25-4|2,3-Diaminotoluene|1-Methyl-2,3-phenylenediamine|1,2-Benzenediamine, 3-methyl-|1,2-Diamino-3-methylbenzene|2,3-Toluylenediamine|2,3-Tolylenediamine|3-13-00-00277|3-Methyl-1,2-benzenediamine|3-Methyl-1,2-phenylenediamine|3-Methyl-o-phenylenediamine|3-Methylbenzene-1,2-diamine|BRN 0907184|EINECS 220-248-5|Toluene-2,3-diamine|Toluene, 2,3-diamino-|UNII-SR8WC7LLQ2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027494
ARPathway2016 ARPathway2016_1080 2,3-Diaminotoluene 2687-25-4 DTXSID4027494 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(N)C(N)=CC=C1 2,3-Diaminotoluene 2687-25-4|2,3-Diaminotoluene|1-Methyl-2,3-phenylenediamine|1,2-Benzenediamine, 3-methyl-|1,2-Diamino-3-methylbenzene|2,3-Toluylenediamine|2,3-Tolylenediamine|3-13-00-00277|3-Methyl-1,2-benzenediamine|3-Methyl-1,2-phenylenediamine|3-Methyl-o-phenylenediamine|3-Methylbenzene-1,2-diamine|BRN 0907184|EINECS 220-248-5|Toluene-2,3-diamine|Toluene, 2,3-diamino-|UNII-SR8WC7LLQ2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027494
ERPathway2016 ERPathway2016_956 2,3-Diaminotoluene 2687-25-4 DTXSID4027494 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(N)C(N)=CC=C1 2,3-Diaminotoluene 2687-25-4|2,3-Diaminotoluene|1-Methyl-2,3-phenylenediamine|1,2-Benzenediamine, 3-methyl-|1,2-Diamino-3-methylbenzene|2,3-Toluylenediamine|2,3-Tolylenediamine|3-13-00-00277|3-Methyl-1,2-benzenediamine|3-Methyl-1,2-phenylenediamine|3-Methyl-o-phenylenediamine|3-Methylbenzene-1,2-diamine|BRN 0907184|EINECS 220-248-5|Toluene-2,3-diamine|Toluene, 2,3-diamino-|UNII-SR8WC7LLQ2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027494
ERPathway2016 ERPathway2016_956 2,3-Diaminotoluene 2687-25-4 DTXSID4027494 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(N)C(N)=CC=C1 2,3-Diaminotoluene 2687-25-4|2,3-Diaminotoluene|1-Methyl-2,3-phenylenediamine|1,2-Benzenediamine, 3-methyl-|1,2-Diamino-3-methylbenzene|2,3-Toluylenediamine|2,3-Tolylenediamine|3-13-00-00277|3-Methyl-1,2-benzenediamine|3-Methyl-1,2-phenylenediamine|3-Methyl-o-phenylenediamine|3-Methylbenzene-1,2-diamine|BRN 0907184|EINECS 220-248-5|Toluene-2,3-diamine|Toluene, 2,3-diamino-|UNII-SR8WC7LLQ2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027494
ERPathway2016 ERPathway2016_956 2,3-Diaminotoluene 2687-25-4 DTXSID4027494 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(N)C(N)=CC=C1 2,3-Diaminotoluene 2687-25-4|2,3-Diaminotoluene|1-Methyl-2,3-phenylenediamine|1,2-Benzenediamine, 3-methyl-|1,2-Diamino-3-methylbenzene|2,3-Toluylenediamine|2,3-Tolylenediamine|3-13-00-00277|3-Methyl-1,2-benzenediamine|3-Methyl-1,2-phenylenediamine|3-Methyl-o-phenylenediamine|3-Methylbenzene-1,2-diamine|BRN 0907184|EINECS 220-248-5|Toluene-2,3-diamine|Toluene, 2,3-diamino-|UNII-SR8WC7LLQ2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027494
ERPathway2016 ERPathway2016_956 2,3-Diaminotoluene 2687-25-4 DTXSID4027494 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(N)C(N)=CC=C1 2,3-Diaminotoluene 2687-25-4|2,3-Diaminotoluene|1-Methyl-2,3-phenylenediamine|1,2-Benzenediamine, 3-methyl-|1,2-Diamino-3-methylbenzene|2,3-Toluylenediamine|2,3-Tolylenediamine|3-13-00-00277|3-Methyl-1,2-benzenediamine|3-Methyl-1,2-phenylenediamine|3-Methyl-o-phenylenediamine|3-Methylbenzene-1,2-diamine|BRN 0907184|EINECS 220-248-5|Toluene-2,3-diamine|Toluene, 2,3-diamino-|UNII-SR8WC7LLQ2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027494
ARPathway2016 ARPathway2016_897 2,3-Dihydro-2,2-dimethyl-7-benzofuranol 1563-38-8 DTXSID2027414 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)CC2=C(O1)C(O)=CC=C2 2,3-Dihydro-2,2-dimethyl-7-benzofuranol 1563-38-8|2,3-Dihydro-2,2-dimethyl-7-benzofuranol|2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol|2,3-Dihydro-2,2-dimethyl-7-hydorxybenzofuran|2,3-Dihydro-2,2-dimethyl-7-hydroxybenzofuran|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-|Carbofuran 7-phenol|Carbofuran phenol|Carbofuranphenol|EINECS 216-350-4|UNII-772HS1899G https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027414
ARPathway2016 ARPathway2016_897 2,3-Dihydro-2,2-dimethyl-7-benzofuranol 1563-38-8 DTXSID2027414 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)CC2=C(O1)C(O)=CC=C2 2,3-Dihydro-2,2-dimethyl-7-benzofuranol 1563-38-8|2,3-Dihydro-2,2-dimethyl-7-benzofuranol|2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol|2,3-Dihydro-2,2-dimethyl-7-hydorxybenzofuran|2,3-Dihydro-2,2-dimethyl-7-hydroxybenzofuran|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-|Carbofuran 7-phenol|Carbofuran phenol|Carbofuranphenol|EINECS 216-350-4|UNII-772HS1899G https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027414
ARPathway2016 ARPathway2016_897 2,3-Dihydro-2,2-dimethyl-7-benzofuranol 1563-38-8 DTXSID2027414 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)CC2=C(O1)C(O)=CC=C2 2,3-Dihydro-2,2-dimethyl-7-benzofuranol 1563-38-8|2,3-Dihydro-2,2-dimethyl-7-benzofuranol|2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol|2,3-Dihydro-2,2-dimethyl-7-hydorxybenzofuran|2,3-Dihydro-2,2-dimethyl-7-hydroxybenzofuran|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-|Carbofuran 7-phenol|Carbofuran phenol|Carbofuranphenol|EINECS 216-350-4|UNII-772HS1899G https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027414
ARPathway2016 ARPathway2016_897 2,3-Dihydro-2,2-dimethyl-7-benzofuranol 1563-38-8 DTXSID2027414 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)CC2=C(O1)C(O)=CC=C2 2,3-Dihydro-2,2-dimethyl-7-benzofuranol 1563-38-8|2,3-Dihydro-2,2-dimethyl-7-benzofuranol|2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol|2,3-Dihydro-2,2-dimethyl-7-hydorxybenzofuran|2,3-Dihydro-2,2-dimethyl-7-hydroxybenzofuran|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-|Carbofuran 7-phenol|Carbofuran phenol|Carbofuranphenol|EINECS 216-350-4|UNII-772HS1899G https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027414
ERPathway2016 ERPathway2016_1328 2,3-Dihydro-2,2-dimethyl-7-benzofuranol 1563-38-8 DTXSID2027414 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)CC2=C(O1)C(O)=CC=C2 2,3-Dihydro-2,2-dimethyl-7-benzofuranol 1563-38-8|2,3-Dihydro-2,2-dimethyl-7-benzofuranol|2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol|2,3-Dihydro-2,2-dimethyl-7-hydorxybenzofuran|2,3-Dihydro-2,2-dimethyl-7-hydroxybenzofuran|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-|Carbofuran 7-phenol|Carbofuran phenol|Carbofuranphenol|EINECS 216-350-4|UNII-772HS1899G https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027414
ERPathway2016 ERPathway2016_1328 2,3-Dihydro-2,2-dimethyl-7-benzofuranol 1563-38-8 DTXSID2027414 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)CC2=C(O1)C(O)=CC=C2 2,3-Dihydro-2,2-dimethyl-7-benzofuranol 1563-38-8|2,3-Dihydro-2,2-dimethyl-7-benzofuranol|2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol|2,3-Dihydro-2,2-dimethyl-7-hydorxybenzofuran|2,3-Dihydro-2,2-dimethyl-7-hydroxybenzofuran|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-|Carbofuran 7-phenol|Carbofuran phenol|Carbofuranphenol|EINECS 216-350-4|UNII-772HS1899G https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027414
ERPathway2016 ERPathway2016_1328 2,3-Dihydro-2,2-dimethyl-7-benzofuranol 1563-38-8 DTXSID2027414 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)CC2=C(O1)C(O)=CC=C2 2,3-Dihydro-2,2-dimethyl-7-benzofuranol 1563-38-8|2,3-Dihydro-2,2-dimethyl-7-benzofuranol|2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol|2,3-Dihydro-2,2-dimethyl-7-hydorxybenzofuran|2,3-Dihydro-2,2-dimethyl-7-hydroxybenzofuran|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-|Carbofuran 7-phenol|Carbofuran phenol|Carbofuranphenol|EINECS 216-350-4|UNII-772HS1899G https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027414
ERPathway2016 ERPathway2016_1328 2,3-Dihydro-2,2-dimethyl-7-benzofuranol 1563-38-8 DTXSID2027414 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)CC2=C(O1)C(O)=CC=C2 2,3-Dihydro-2,2-dimethyl-7-benzofuranol 1563-38-8|2,3-Dihydro-2,2-dimethyl-7-benzofuranol|2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol|2,3-Dihydro-2,2-dimethyl-7-hydorxybenzofuran|2,3-Dihydro-2,2-dimethyl-7-hydroxybenzofuran|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-|Carbofuran 7-phenol|Carbofuran phenol|Carbofuranphenol|EINECS 216-350-4|UNII-772HS1899G https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027414
ARPathway2016 ARPathway2016_1279 2,3-Dimethylphenol 526-75-0 DTXSID6025143 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(C)C(O)=CC=C1 2,3-Dimethylphenol 526-75-0|2,3-Dimethylphenol|1-Hydroxy-2,3-dimethylbenzene|1,2-Dimethyl-3-hydroxybenzene|2,3-xilenol|2,3-Xylenol|4-06-00-03096|Benzene, 1,2-dimethyl-3-hydroxy-|BRN 1906267|EINECS 208-395-3|NSC 62011|o-3-Xylenol|o-Xylenol|Phenol, 2,3-dimethyl-|UNII-RLF9YS3586|Vic-o-Xylenol|Xyellenol 100 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025143 https://doi.org/10.22427/NTP-DATA-DTXSID6025143
ARPathway2016 ARPathway2016_1279 2,3-Dimethylphenol 526-75-0 DTXSID6025143 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(C)C(O)=CC=C1 2,3-Dimethylphenol 526-75-0|2,3-Dimethylphenol|1-Hydroxy-2,3-dimethylbenzene|1,2-Dimethyl-3-hydroxybenzene|2,3-xilenol|2,3-Xylenol|4-06-00-03096|Benzene, 1,2-dimethyl-3-hydroxy-|BRN 1906267|EINECS 208-395-3|NSC 62011|o-3-Xylenol|o-Xylenol|Phenol, 2,3-dimethyl-|UNII-RLF9YS3586|Vic-o-Xylenol|Xyellenol 100 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025143 https://doi.org/10.22427/NTP-DATA-DTXSID6025143
ARPathway2016 ARPathway2016_1279 2,3-Dimethylphenol 526-75-0 DTXSID6025143 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(C)C(O)=CC=C1 2,3-Dimethylphenol 526-75-0|2,3-Dimethylphenol|1-Hydroxy-2,3-dimethylbenzene|1,2-Dimethyl-3-hydroxybenzene|2,3-xilenol|2,3-Xylenol|4-06-00-03096|Benzene, 1,2-dimethyl-3-hydroxy-|BRN 1906267|EINECS 208-395-3|NSC 62011|o-3-Xylenol|o-Xylenol|Phenol, 2,3-dimethyl-|UNII-RLF9YS3586|Vic-o-Xylenol|Xyellenol 100 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025143 https://doi.org/10.22427/NTP-DATA-DTXSID6025143
ARPathway2016 ARPathway2016_1279 2,3-Dimethylphenol 526-75-0 DTXSID6025143 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(C)C(O)=CC=C1 2,3-Dimethylphenol 526-75-0|2,3-Dimethylphenol|1-Hydroxy-2,3-dimethylbenzene|1,2-Dimethyl-3-hydroxybenzene|2,3-xilenol|2,3-Xylenol|4-06-00-03096|Benzene, 1,2-dimethyl-3-hydroxy-|BRN 1906267|EINECS 208-395-3|NSC 62011|o-3-Xylenol|o-Xylenol|Phenol, 2,3-dimethyl-|UNII-RLF9YS3586|Vic-o-Xylenol|Xyellenol 100 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025143 https://doi.org/10.22427/NTP-DATA-DTXSID6025143
ERPathway2016 ERPathway2016_895 2,3-Dimethylphenol 526-75-0 DTXSID6025143 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(C)C(O)=CC=C1 2,3-Dimethylphenol 526-75-0|2,3-Dimethylphenol|1-Hydroxy-2,3-dimethylbenzene|1,2-Dimethyl-3-hydroxybenzene|2,3-xilenol|2,3-Xylenol|4-06-00-03096|Benzene, 1,2-dimethyl-3-hydroxy-|BRN 1906267|EINECS 208-395-3|NSC 62011|o-3-Xylenol|o-Xylenol|Phenol, 2,3-dimethyl-|UNII-RLF9YS3586|Vic-o-Xylenol|Xyellenol 100 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025143 https://doi.org/10.22427/NTP-DATA-DTXSID6025143
ERPathway2016 ERPathway2016_895 2,3-Dimethylphenol 526-75-0 DTXSID6025143 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(C)C(O)=CC=C1 2,3-Dimethylphenol 526-75-0|2,3-Dimethylphenol|1-Hydroxy-2,3-dimethylbenzene|1,2-Dimethyl-3-hydroxybenzene|2,3-xilenol|2,3-Xylenol|4-06-00-03096|Benzene, 1,2-dimethyl-3-hydroxy-|BRN 1906267|EINECS 208-395-3|NSC 62011|o-3-Xylenol|o-Xylenol|Phenol, 2,3-dimethyl-|UNII-RLF9YS3586|Vic-o-Xylenol|Xyellenol 100 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025143 https://doi.org/10.22427/NTP-DATA-DTXSID6025143
ERPathway2016 ERPathway2016_895 2,3-Dimethylphenol 526-75-0 DTXSID6025143 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(C)C(O)=CC=C1 2,3-Dimethylphenol 526-75-0|2,3-Dimethylphenol|1-Hydroxy-2,3-dimethylbenzene|1,2-Dimethyl-3-hydroxybenzene|2,3-xilenol|2,3-Xylenol|4-06-00-03096|Benzene, 1,2-dimethyl-3-hydroxy-|BRN 1906267|EINECS 208-395-3|NSC 62011|o-3-Xylenol|o-Xylenol|Phenol, 2,3-dimethyl-|UNII-RLF9YS3586|Vic-o-Xylenol|Xyellenol 100 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025143 https://doi.org/10.22427/NTP-DATA-DTXSID6025143
ERPathway2016 ERPathway2016_895 2,3-Dimethylphenol 526-75-0 DTXSID6025143 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(C)C(O)=CC=C1 2,3-Dimethylphenol 526-75-0|2,3-Dimethylphenol|1-Hydroxy-2,3-dimethylbenzene|1,2-Dimethyl-3-hydroxybenzene|2,3-xilenol|2,3-Xylenol|4-06-00-03096|Benzene, 1,2-dimethyl-3-hydroxy-|BRN 1906267|EINECS 208-395-3|NSC 62011|o-3-Xylenol|o-Xylenol|Phenol, 2,3-dimethyl-|UNII-RLF9YS3586|Vic-o-Xylenol|Xyellenol 100 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025143 https://doi.org/10.22427/NTP-DATA-DTXSID6025143
ARPathway2016 ARPathway2016_1387 2,3-Dinitrotoluene 602-01-7 DTXSID4027236 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=CC(=C1[N+]([O-])=O)[N+]([O-])=O 2,3-Dinitrotoluene 602-01-7|2,3-Dinitrotoluene|1-Methyl-2,3-dinitrobenzene|2,3-Dinitrotoluol|4-05-00-00865|Benzene, 1-methyl-2,3-dinitro-|BRN 2212428|EINECS 210-013-5|UNII-BS660NHC83 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027236 https://doi.org/10.22427/NTP-DATA-DTXSID4027236
ARPathway2016 ARPathway2016_1387 2,3-Dinitrotoluene 602-01-7 DTXSID4027236 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=CC(=C1[N+]([O-])=O)[N+]([O-])=O 2,3-Dinitrotoluene 602-01-7|2,3-Dinitrotoluene|1-Methyl-2,3-dinitrobenzene|2,3-Dinitrotoluol|4-05-00-00865|Benzene, 1-methyl-2,3-dinitro-|BRN 2212428|EINECS 210-013-5|UNII-BS660NHC83 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027236 https://doi.org/10.22427/NTP-DATA-DTXSID4027236
ARPathway2016 ARPathway2016_1387 2,3-Dinitrotoluene 602-01-7 DTXSID4027236 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=CC(=C1[N+]([O-])=O)[N+]([O-])=O 2,3-Dinitrotoluene 602-01-7|2,3-Dinitrotoluene|1-Methyl-2,3-dinitrobenzene|2,3-Dinitrotoluol|4-05-00-00865|Benzene, 1-methyl-2,3-dinitro-|BRN 2212428|EINECS 210-013-5|UNII-BS660NHC83 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027236 https://doi.org/10.22427/NTP-DATA-DTXSID4027236
ARPathway2016 ARPathway2016_1387 2,3-Dinitrotoluene 602-01-7 DTXSID4027236 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=CC(=C1[N+]([O-])=O)[N+]([O-])=O 2,3-Dinitrotoluene 602-01-7|2,3-Dinitrotoluene|1-Methyl-2,3-dinitrobenzene|2,3-Dinitrotoluol|4-05-00-00865|Benzene, 1-methyl-2,3-dinitro-|BRN 2212428|EINECS 210-013-5|UNII-BS660NHC83 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027236 https://doi.org/10.22427/NTP-DATA-DTXSID4027236
ERPathway2016 ERPathway2016_531 2,3-Dinitrotoluene 602-01-7 DTXSID4027236 A13 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=CC(=C1[N+]([O-])=O)[N+]([O-])=O 2,3-Dinitrotoluene 602-01-7|2,3-Dinitrotoluene|1-Methyl-2,3-dinitrobenzene|2,3-Dinitrotoluol|4-05-00-00865|Benzene, 1-methyl-2,3-dinitro-|BRN 2212428|EINECS 210-013-5|UNII-BS660NHC83 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027236 https://doi.org/10.22427/NTP-DATA-DTXSID4027236
ERPathway2016 ERPathway2016_531 2,3-Dinitrotoluene 602-01-7 DTXSID4027236 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=CC(=C1[N+]([O-])=O)[N+]([O-])=O 2,3-Dinitrotoluene 602-01-7|2,3-Dinitrotoluene|1-Methyl-2,3-dinitrobenzene|2,3-Dinitrotoluol|4-05-00-00865|Benzene, 1-methyl-2,3-dinitro-|BRN 2212428|EINECS 210-013-5|UNII-BS660NHC83 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027236 https://doi.org/10.22427/NTP-DATA-DTXSID4027236
ERPathway2016 ERPathway2016_531 2,3-Dinitrotoluene 602-01-7 DTXSID4027236 A13 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=CC(=C1[N+]([O-])=O)[N+]([O-])=O 2,3-Dinitrotoluene 602-01-7|2,3-Dinitrotoluene|1-Methyl-2,3-dinitrobenzene|2,3-Dinitrotoluol|4-05-00-00865|Benzene, 1-methyl-2,3-dinitro-|BRN 2212428|EINECS 210-013-5|UNII-BS660NHC83 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027236 https://doi.org/10.22427/NTP-DATA-DTXSID4027236
ERPathway2016 ERPathway2016_531 2,3-Dinitrotoluene 602-01-7 DTXSID4027236 A13 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=CC(=C1[N+]([O-])=O)[N+]([O-])=O 2,3-Dinitrotoluene 602-01-7|2,3-Dinitrotoluene|1-Methyl-2,3-dinitrobenzene|2,3-Dinitrotoluol|4-05-00-00865|Benzene, 1-methyl-2,3-dinitro-|BRN 2212428|EINECS 210-013-5|UNII-BS660NHC83 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027236 https://doi.org/10.22427/NTP-DATA-DTXSID4027236
ARPathway2016 ARPathway2016_316 2,4,5-Trichlorophenol 95-95-4 DTXSID4024359 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist AC50 43.6567219316769 uM OC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenol 95-95-4|2,4,5-Trichlorophenol|2,4,5-TCP|2,4,5-Trichlorphenol|2,4,5-triclorofenol|2.4,5-Trichlorophenic acid|BRN 0607569|Collunosol|Dowicide 2|EINECS 202-467-8|NCI-C61187|NSC 2266|Phenol, 2,4,5-trichloro-|Preventol I|RCRA waste number U230|TCP|UNII-32526637PN|77001-45-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024359 https://doi.org/10.22427/NTP-DATA-DTXSID4024359
ARPathway2016 ARPathway2016_316 2,4,5-Trichlorophenol 95-95-4 DTXSID4024359 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist ACC 43.3140889147091 uM OC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenol 95-95-4|2,4,5-Trichlorophenol|2,4,5-TCP|2,4,5-Trichlorphenol|2,4,5-triclorofenol|2.4,5-Trichlorophenic acid|BRN 0607569|Collunosol|Dowicide 2|EINECS 202-467-8|NCI-C61187|NSC 2266|Phenol, 2,4,5-trichloro-|Preventol I|RCRA waste number U230|TCP|UNII-32526637PN|77001-45-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024359 https://doi.org/10.22427/NTP-DATA-DTXSID4024359
ARPathway2016 ARPathway2016_316 2,4,5-Trichlorophenol 95-95-4 DTXSID4024359 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0.0408 Unitless OC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenol 95-95-4|2,4,5-Trichlorophenol|2,4,5-TCP|2,4,5-Trichlorphenol|2,4,5-triclorofenol|2.4,5-Trichlorophenic acid|BRN 0607569|Collunosol|Dowicide 2|EINECS 202-467-8|NCI-C61187|NSC 2266|Phenol, 2,4,5-trichloro-|Preventol I|RCRA waste number U230|TCP|UNII-32526637PN|77001-45-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024359 https://doi.org/10.22427/NTP-DATA-DTXSID4024359
ARPathway2016 ARPathway2016_316 2,4,5-Trichlorophenol 95-95-4 DTXSID4024359 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless OC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenol 95-95-4|2,4,5-Trichlorophenol|2,4,5-TCP|2,4,5-Trichlorphenol|2,4,5-triclorofenol|2.4,5-Trichlorophenic acid|BRN 0607569|Collunosol|Dowicide 2|EINECS 202-467-8|NCI-C61187|NSC 2266|Phenol, 2,4,5-trichloro-|Preventol I|RCRA waste number U230|TCP|UNII-32526637PN|77001-45-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024359 https://doi.org/10.22427/NTP-DATA-DTXSID4024359
ARPathway2016 ARPathway2016_316 2,4,5-Trichlorophenol 95-95-4 DTXSID4024359 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Active Unitless OC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenol 95-95-4|2,4,5-Trichlorophenol|2,4,5-TCP|2,4,5-Trichlorphenol|2,4,5-triclorofenol|2.4,5-Trichlorophenic acid|BRN 0607569|Collunosol|Dowicide 2|EINECS 202-467-8|NCI-C61187|NSC 2266|Phenol, 2,4,5-trichloro-|Preventol I|RCRA waste number U230|TCP|UNII-32526637PN|77001-45-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024359 https://doi.org/10.22427/NTP-DATA-DTXSID4024359
ARPathway2016 ARPathway2016_316 2,4,5-Trichlorophenol 95-95-4 DTXSID4024359 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenol 95-95-4|2,4,5-Trichlorophenol|2,4,5-TCP|2,4,5-Trichlorphenol|2,4,5-triclorofenol|2.4,5-Trichlorophenic acid|BRN 0607569|Collunosol|Dowicide 2|EINECS 202-467-8|NCI-C61187|NSC 2266|Phenol, 2,4,5-trichloro-|Preventol I|RCRA waste number U230|TCP|UNII-32526637PN|77001-45-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024359 https://doi.org/10.22427/NTP-DATA-DTXSID4024359
ERPathway2016 ERPathway2016_430 2,4,5-Trichlorophenol 95-95-4 DTXSID4024359 ER Pathway Model, Antagonist AC50 36.795059746623 uM OC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenol 95-95-4|2,4,5-Trichlorophenol|2,4,5-TCP|2,4,5-Trichlorphenol|2,4,5-triclorofenol|2.4,5-Trichlorophenic acid|BRN 0607569|Collunosol|Dowicide 2|EINECS 202-467-8|NCI-C61187|NSC 2266|Phenol, 2,4,5-trichloro-|Preventol I|RCRA waste number U230|TCP|UNII-32526637PN|77001-45-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024359 https://doi.org/10.22427/NTP-DATA-DTXSID4024359
ERPathway2016 ERPathway2016_430 2,4,5-Trichlorophenol 95-95-4 DTXSID4024359 ER Pathway Model, Antagonist ACC 32.0400303422972 uM OC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenol 95-95-4|2,4,5-Trichlorophenol|2,4,5-TCP|2,4,5-Trichlorphenol|2,4,5-triclorofenol|2.4,5-Trichlorophenic acid|BRN 0607569|Collunosol|Dowicide 2|EINECS 202-467-8|NCI-C61187|NSC 2266|Phenol, 2,4,5-trichloro-|Preventol I|RCRA waste number U230|TCP|UNII-32526637PN|77001-45-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024359 https://doi.org/10.22427/NTP-DATA-DTXSID4024359
ERPathway2016 ERPathway2016_430 2,4,5-Trichlorophenol 95-95-4 DTXSID4024359 ER Pathway Model, Agonist Model Score 0.00613 Unitless OC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenol 95-95-4|2,4,5-Trichlorophenol|2,4,5-TCP|2,4,5-Trichlorphenol|2,4,5-triclorofenol|2.4,5-Trichlorophenic acid|BRN 0607569|Collunosol|Dowicide 2|EINECS 202-467-8|NCI-C61187|NSC 2266|Phenol, 2,4,5-trichloro-|Preventol I|RCRA waste number U230|TCP|UNII-32526637PN|77001-45-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024359 https://doi.org/10.22427/NTP-DATA-DTXSID4024359
ERPathway2016 ERPathway2016_430 2,4,5-Trichlorophenol 95-95-4 DTXSID4024359 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenol 95-95-4|2,4,5-Trichlorophenol|2,4,5-TCP|2,4,5-Trichlorphenol|2,4,5-triclorofenol|2.4,5-Trichlorophenic acid|BRN 0607569|Collunosol|Dowicide 2|EINECS 202-467-8|NCI-C61187|NSC 2266|Phenol, 2,4,5-trichloro-|Preventol I|RCRA waste number U230|TCP|UNII-32526637PN|77001-45-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024359 https://doi.org/10.22427/NTP-DATA-DTXSID4024359
ERPathway2016 ERPathway2016_430 2,4,5-Trichlorophenol 95-95-4 DTXSID4024359 ER Pathway Model, Agonist Call Inactive Unitless OC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenol 95-95-4|2,4,5-Trichlorophenol|2,4,5-TCP|2,4,5-Trichlorphenol|2,4,5-triclorofenol|2.4,5-Trichlorophenic acid|BRN 0607569|Collunosol|Dowicide 2|EINECS 202-467-8|NCI-C61187|NSC 2266|Phenol, 2,4,5-trichloro-|Preventol I|RCRA waste number U230|TCP|UNII-32526637PN|77001-45-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024359 https://doi.org/10.22427/NTP-DATA-DTXSID4024359
ERPathway2016 ERPathway2016_430 2,4,5-Trichlorophenol 95-95-4 DTXSID4024359 ER Pathway Model, Antagonist Call Active Unitless OC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenol 95-95-4|2,4,5-Trichlorophenol|2,4,5-TCP|2,4,5-Trichlorphenol|2,4,5-triclorofenol|2.4,5-Trichlorophenic acid|BRN 0607569|Collunosol|Dowicide 2|EINECS 202-467-8|NCI-C61187|NSC 2266|Phenol, 2,4,5-trichloro-|Preventol I|RCRA waste number U230|TCP|UNII-32526637PN|77001-45-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024359 https://doi.org/10.22427/NTP-DATA-DTXSID4024359
ARPathway2016 ARPathway2016_1729 2,4,5-Trichlorophenoxyacetic acid 93-76-5 DTXSID5021388 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenoxyacetic acid 93-76-5|2,4,5-Trichlorophenoxyacetic acid|(2,4,5-Trichloor-fenoxy)-azijnzuur|(2,4,5-Trichlor-phenoxy)-essigsaeure|(2,4,5-Trichlorophenoxy)acetic acid|(2,4,5-Trichlorphenoxy)essigsaeure|2-(2,4,5-trichlorophenoxy)acetic acid|2-(2,4,5-trichlorophenoxy)ethanoic acid|2,4,5-T|2,4,5-Trichlorophenoxyacetate|2,4,5-Trichlorphenoxyessigsaeure|4-06-00-00973|Acetic acid, (2,4,5-trichlorophenoxy)-|Acetic acid, 2-(2,4,5-trichlorophenoxy)-|Acide 2,4,5-trichloro phenoxyacetique|Acido (2,4,5-tricloro-fenossi)-acetico|Arbokan|BCF-Bushkiller|BRN 2055620|Brush Killer|Brush RHAP|Brush-off 445 low volatile brush killer|Brushtox|Caswell No. 881|Cido (2,4,5-tricloro-fenossi)-acetico|Crossbow|Decamine 4T|Ded-Weed|Ded-weed brush killer|Ded-weed lv-6 brush kil and t-5 brush kil|EINECS 202-273-3|Envert-T|EPA Pesticide Chemical Code 082001|Estercide t-2 and t-245|Esteron 245|Farmco fence rider|Fence rider|Fruitone A|Inverton 245|Kwas 2,4,5-trojchlorofenoksyoctowy|Line rider|NSC 430|Phortox|RCRA waste number U232|Spontox|Super D Weedone|Tippontormona|Trichlorophenoxyacetic acid|Tr https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021388 https://doi.org/10.22427/NTP-DATA-DTXSID5021388
ARPathway2016 ARPathway2016_1729 2,4,5-Trichlorophenoxyacetic acid 93-76-5 DTXSID5021388 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenoxyacetic acid 93-76-5|2,4,5-Trichlorophenoxyacetic acid|(2,4,5-Trichloor-fenoxy)-azijnzuur|(2,4,5-Trichlor-phenoxy)-essigsaeure|(2,4,5-Trichlorophenoxy)acetic acid|(2,4,5-Trichlorphenoxy)essigsaeure|2-(2,4,5-trichlorophenoxy)acetic acid|2-(2,4,5-trichlorophenoxy)ethanoic acid|2,4,5-T|2,4,5-Trichlorophenoxyacetate|2,4,5-Trichlorphenoxyessigsaeure|4-06-00-00973|Acetic acid, (2,4,5-trichlorophenoxy)-|Acetic acid, 2-(2,4,5-trichlorophenoxy)-|Acide 2,4,5-trichloro phenoxyacetique|Acido (2,4,5-tricloro-fenossi)-acetico|Arbokan|BCF-Bushkiller|BRN 2055620|Brush Killer|Brush RHAP|Brush-off 445 low volatile brush killer|Brushtox|Caswell No. 881|Cido (2,4,5-tricloro-fenossi)-acetico|Crossbow|Decamine 4T|Ded-Weed|Ded-weed brush killer|Ded-weed lv-6 brush kil and t-5 brush kil|EINECS 202-273-3|Envert-T|EPA Pesticide Chemical Code 082001|Estercide t-2 and t-245|Esteron 245|Farmco fence rider|Fence rider|Fruitone A|Inverton 245|Kwas 2,4,5-trojchlorofenoksyoctowy|Line rider|NSC 430|Phortox|RCRA waste number U232|Spontox|Super D Weedone|Tippontormona|Trichlorophenoxyacetic acid|Tr https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021388 https://doi.org/10.22427/NTP-DATA-DTXSID5021388
ARPathway2016 ARPathway2016_1729 2,4,5-Trichlorophenoxyacetic acid 93-76-5 DTXSID5021388 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenoxyacetic acid 93-76-5|2,4,5-Trichlorophenoxyacetic acid|(2,4,5-Trichloor-fenoxy)-azijnzuur|(2,4,5-Trichlor-phenoxy)-essigsaeure|(2,4,5-Trichlorophenoxy)acetic acid|(2,4,5-Trichlorphenoxy)essigsaeure|2-(2,4,5-trichlorophenoxy)acetic acid|2-(2,4,5-trichlorophenoxy)ethanoic acid|2,4,5-T|2,4,5-Trichlorophenoxyacetate|2,4,5-Trichlorphenoxyessigsaeure|4-06-00-00973|Acetic acid, (2,4,5-trichlorophenoxy)-|Acetic acid, 2-(2,4,5-trichlorophenoxy)-|Acide 2,4,5-trichloro phenoxyacetique|Acido (2,4,5-tricloro-fenossi)-acetico|Arbokan|BCF-Bushkiller|BRN 2055620|Brush Killer|Brush RHAP|Brush-off 445 low volatile brush killer|Brushtox|Caswell No. 881|Cido (2,4,5-tricloro-fenossi)-acetico|Crossbow|Decamine 4T|Ded-Weed|Ded-weed brush killer|Ded-weed lv-6 brush kil and t-5 brush kil|EINECS 202-273-3|Envert-T|EPA Pesticide Chemical Code 082001|Estercide t-2 and t-245|Esteron 245|Farmco fence rider|Fence rider|Fruitone A|Inverton 245|Kwas 2,4,5-trojchlorofenoksyoctowy|Line rider|NSC 430|Phortox|RCRA waste number U232|Spontox|Super D Weedone|Tippontormona|Trichlorophenoxyacetic acid|Tr https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021388 https://doi.org/10.22427/NTP-DATA-DTXSID5021388
ARPathway2016 ARPathway2016_1729 2,4,5-Trichlorophenoxyacetic acid 93-76-5 DTXSID5021388 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenoxyacetic acid 93-76-5|2,4,5-Trichlorophenoxyacetic acid|(2,4,5-Trichloor-fenoxy)-azijnzuur|(2,4,5-Trichlor-phenoxy)-essigsaeure|(2,4,5-Trichlorophenoxy)acetic acid|(2,4,5-Trichlorphenoxy)essigsaeure|2-(2,4,5-trichlorophenoxy)acetic acid|2-(2,4,5-trichlorophenoxy)ethanoic acid|2,4,5-T|2,4,5-Trichlorophenoxyacetate|2,4,5-Trichlorphenoxyessigsaeure|4-06-00-00973|Acetic acid, (2,4,5-trichlorophenoxy)-|Acetic acid, 2-(2,4,5-trichlorophenoxy)-|Acide 2,4,5-trichloro phenoxyacetique|Acido (2,4,5-tricloro-fenossi)-acetico|Arbokan|BCF-Bushkiller|BRN 2055620|Brush Killer|Brush RHAP|Brush-off 445 low volatile brush killer|Brushtox|Caswell No. 881|Cido (2,4,5-tricloro-fenossi)-acetico|Crossbow|Decamine 4T|Ded-Weed|Ded-weed brush killer|Ded-weed lv-6 brush kil and t-5 brush kil|EINECS 202-273-3|Envert-T|EPA Pesticide Chemical Code 082001|Estercide t-2 and t-245|Esteron 245|Farmco fence rider|Fence rider|Fruitone A|Inverton 245|Kwas 2,4,5-trojchlorofenoksyoctowy|Line rider|NSC 430|Phortox|RCRA waste number U232|Spontox|Super D Weedone|Tippontormona|Trichlorophenoxyacetic acid|Tr https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021388 https://doi.org/10.22427/NTP-DATA-DTXSID5021388
ERPathway2016 ERPathway2016_1749 2,4,5-Trichlorophenoxyacetic acid 93-76-5 DTXSID5021388 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenoxyacetic acid 93-76-5|2,4,5-Trichlorophenoxyacetic acid|(2,4,5-Trichloor-fenoxy)-azijnzuur|(2,4,5-Trichlor-phenoxy)-essigsaeure|(2,4,5-Trichlorophenoxy)acetic acid|(2,4,5-Trichlorphenoxy)essigsaeure|2-(2,4,5-trichlorophenoxy)acetic acid|2-(2,4,5-trichlorophenoxy)ethanoic acid|2,4,5-T|2,4,5-Trichlorophenoxyacetate|2,4,5-Trichlorphenoxyessigsaeure|4-06-00-00973|Acetic acid, (2,4,5-trichlorophenoxy)-|Acetic acid, 2-(2,4,5-trichlorophenoxy)-|Acide 2,4,5-trichloro phenoxyacetique|Acido (2,4,5-tricloro-fenossi)-acetico|Arbokan|BCF-Bushkiller|BRN 2055620|Brush Killer|Brush RHAP|Brush-off 445 low volatile brush killer|Brushtox|Caswell No. 881|Cido (2,4,5-tricloro-fenossi)-acetico|Crossbow|Decamine 4T|Ded-Weed|Ded-weed brush killer|Ded-weed lv-6 brush kil and t-5 brush kil|EINECS 202-273-3|Envert-T|EPA Pesticide Chemical Code 082001|Estercide t-2 and t-245|Esteron 245|Farmco fence rider|Fence rider|Fruitone A|Inverton 245|Kwas 2,4,5-trojchlorofenoksyoctowy|Line rider|NSC 430|Phortox|RCRA waste number U232|Spontox|Super D Weedone|Tippontormona|Trichlorophenoxyacetic acid|Tr https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021388 https://doi.org/10.22427/NTP-DATA-DTXSID5021388
ERPathway2016 ERPathway2016_1749 2,4,5-Trichlorophenoxyacetic acid 93-76-5 DTXSID5021388 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenoxyacetic acid 93-76-5|2,4,5-Trichlorophenoxyacetic acid|(2,4,5-Trichloor-fenoxy)-azijnzuur|(2,4,5-Trichlor-phenoxy)-essigsaeure|(2,4,5-Trichlorophenoxy)acetic acid|(2,4,5-Trichlorphenoxy)essigsaeure|2-(2,4,5-trichlorophenoxy)acetic acid|2-(2,4,5-trichlorophenoxy)ethanoic acid|2,4,5-T|2,4,5-Trichlorophenoxyacetate|2,4,5-Trichlorphenoxyessigsaeure|4-06-00-00973|Acetic acid, (2,4,5-trichlorophenoxy)-|Acetic acid, 2-(2,4,5-trichlorophenoxy)-|Acide 2,4,5-trichloro phenoxyacetique|Acido (2,4,5-tricloro-fenossi)-acetico|Arbokan|BCF-Bushkiller|BRN 2055620|Brush Killer|Brush RHAP|Brush-off 445 low volatile brush killer|Brushtox|Caswell No. 881|Cido (2,4,5-tricloro-fenossi)-acetico|Crossbow|Decamine 4T|Ded-Weed|Ded-weed brush killer|Ded-weed lv-6 brush kil and t-5 brush kil|EINECS 202-273-3|Envert-T|EPA Pesticide Chemical Code 082001|Estercide t-2 and t-245|Esteron 245|Farmco fence rider|Fence rider|Fruitone A|Inverton 245|Kwas 2,4,5-trojchlorofenoksyoctowy|Line rider|NSC 430|Phortox|RCRA waste number U232|Spontox|Super D Weedone|Tippontormona|Trichlorophenoxyacetic acid|Tr https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021388 https://doi.org/10.22427/NTP-DATA-DTXSID5021388
ERPathway2016 ERPathway2016_1749 2,4,5-Trichlorophenoxyacetic acid 93-76-5 DTXSID5021388 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenoxyacetic acid 93-76-5|2,4,5-Trichlorophenoxyacetic acid|(2,4,5-Trichloor-fenoxy)-azijnzuur|(2,4,5-Trichlor-phenoxy)-essigsaeure|(2,4,5-Trichlorophenoxy)acetic acid|(2,4,5-Trichlorphenoxy)essigsaeure|2-(2,4,5-trichlorophenoxy)acetic acid|2-(2,4,5-trichlorophenoxy)ethanoic acid|2,4,5-T|2,4,5-Trichlorophenoxyacetate|2,4,5-Trichlorphenoxyessigsaeure|4-06-00-00973|Acetic acid, (2,4,5-trichlorophenoxy)-|Acetic acid, 2-(2,4,5-trichlorophenoxy)-|Acide 2,4,5-trichloro phenoxyacetique|Acido (2,4,5-tricloro-fenossi)-acetico|Arbokan|BCF-Bushkiller|BRN 2055620|Brush Killer|Brush RHAP|Brush-off 445 low volatile brush killer|Brushtox|Caswell No. 881|Cido (2,4,5-tricloro-fenossi)-acetico|Crossbow|Decamine 4T|Ded-Weed|Ded-weed brush killer|Ded-weed lv-6 brush kil and t-5 brush kil|EINECS 202-273-3|Envert-T|EPA Pesticide Chemical Code 082001|Estercide t-2 and t-245|Esteron 245|Farmco fence rider|Fence rider|Fruitone A|Inverton 245|Kwas 2,4,5-trojchlorofenoksyoctowy|Line rider|NSC 430|Phortox|RCRA waste number U232|Spontox|Super D Weedone|Tippontormona|Trichlorophenoxyacetic acid|Tr https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021388 https://doi.org/10.22427/NTP-DATA-DTXSID5021388
ERPathway2016 ERPathway2016_1749 2,4,5-Trichlorophenoxyacetic acid 93-76-5 DTXSID5021388 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=C1 2,4,5-Trichlorophenoxyacetic acid 93-76-5|2,4,5-Trichlorophenoxyacetic acid|(2,4,5-Trichloor-fenoxy)-azijnzuur|(2,4,5-Trichlor-phenoxy)-essigsaeure|(2,4,5-Trichlorophenoxy)acetic acid|(2,4,5-Trichlorphenoxy)essigsaeure|2-(2,4,5-trichlorophenoxy)acetic acid|2-(2,4,5-trichlorophenoxy)ethanoic acid|2,4,5-T|2,4,5-Trichlorophenoxyacetate|2,4,5-Trichlorphenoxyessigsaeure|4-06-00-00973|Acetic acid, (2,4,5-trichlorophenoxy)-|Acetic acid, 2-(2,4,5-trichlorophenoxy)-|Acide 2,4,5-trichloro phenoxyacetique|Acido (2,4,5-tricloro-fenossi)-acetico|Arbokan|BCF-Bushkiller|BRN 2055620|Brush Killer|Brush RHAP|Brush-off 445 low volatile brush killer|Brushtox|Caswell No. 881|Cido (2,4,5-tricloro-fenossi)-acetico|Crossbow|Decamine 4T|Ded-Weed|Ded-weed brush killer|Ded-weed lv-6 brush kil and t-5 brush kil|EINECS 202-273-3|Envert-T|EPA Pesticide Chemical Code 082001|Estercide t-2 and t-245|Esteron 245|Farmco fence rider|Fence rider|Fruitone A|Inverton 245|Kwas 2,4,5-trojchlorofenoksyoctowy|Line rider|NSC 430|Phortox|RCRA waste number U232|Spontox|Super D Weedone|Tippontormona|Trichlorophenoxyacetic acid|Tr https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021388 https://doi.org/10.22427/NTP-DATA-DTXSID5021388
ARPathway2016 ARPathway2016_650 2,4,6-Tribromophenol 118-79-6 DTXSID6021959 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=C(Br)C=C(Br)C=C1Br 2,4,6-Tribromophenol 118-79-6|2,4,6-Tribromophenol|1,3,5-Tribromo-2-hydroxybenzene|2,4,6-TBP|2,4,6-tribromofenol|2,4,6-Tribromphenol|Bromkal Pur 3|Bromol|EINECS 204-278-6|Flammex 3BP|NSC 2136|Phenol, 2,4,6-tribromo-|Tribromophenol|UNII-YS6K3EU393|Xeroform https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021959 https://doi.org/10.22427/NTP-DATA-DTXSID6021959
ARPathway2016 ARPathway2016_650 2,4,6-Tribromophenol 118-79-6 DTXSID6021959 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1=C(Br)C=C(Br)C=C1Br 2,4,6-Tribromophenol 118-79-6|2,4,6-Tribromophenol|1,3,5-Tribromo-2-hydroxybenzene|2,4,6-TBP|2,4,6-tribromofenol|2,4,6-Tribromphenol|Bromkal Pur 3|Bromol|EINECS 204-278-6|Flammex 3BP|NSC 2136|Phenol, 2,4,6-tribromo-|Tribromophenol|UNII-YS6K3EU393|Xeroform https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021959 https://doi.org/10.22427/NTP-DATA-DTXSID6021959
ARPathway2016 ARPathway2016_650 2,4,6-Tribromophenol 118-79-6 DTXSID6021959 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1=C(Br)C=C(Br)C=C1Br 2,4,6-Tribromophenol 118-79-6|2,4,6-Tribromophenol|1,3,5-Tribromo-2-hydroxybenzene|2,4,6-TBP|2,4,6-tribromofenol|2,4,6-Tribromphenol|Bromkal Pur 3|Bromol|EINECS 204-278-6|Flammex 3BP|NSC 2136|Phenol, 2,4,6-tribromo-|Tribromophenol|UNII-YS6K3EU393|Xeroform https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021959 https://doi.org/10.22427/NTP-DATA-DTXSID6021959
ARPathway2016 ARPathway2016_650 2,4,6-Tribromophenol 118-79-6 DTXSID6021959 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(Br)C=C(Br)C=C1Br 2,4,6-Tribromophenol 118-79-6|2,4,6-Tribromophenol|1,3,5-Tribromo-2-hydroxybenzene|2,4,6-TBP|2,4,6-tribromofenol|2,4,6-Tribromphenol|Bromkal Pur 3|Bromol|EINECS 204-278-6|Flammex 3BP|NSC 2136|Phenol, 2,4,6-tribromo-|Tribromophenol|UNII-YS6K3EU393|Xeroform https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021959 https://doi.org/10.22427/NTP-DATA-DTXSID6021959
ERPathway2016 ERPathway2016_686 2,4,6-Tribromophenol 118-79-6 DTXSID6021959 ER Pathway Model, Agonist Model Score 0 Unitless OC1=C(Br)C=C(Br)C=C1Br 2,4,6-Tribromophenol 118-79-6|2,4,6-Tribromophenol|1,3,5-Tribromo-2-hydroxybenzene|2,4,6-TBP|2,4,6-tribromofenol|2,4,6-Tribromphenol|Bromkal Pur 3|Bromol|EINECS 204-278-6|Flammex 3BP|NSC 2136|Phenol, 2,4,6-tribromo-|Tribromophenol|UNII-YS6K3EU393|Xeroform https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021959 https://doi.org/10.22427/NTP-DATA-DTXSID6021959
ERPathway2016 ERPathway2016_686 2,4,6-Tribromophenol 118-79-6 DTXSID6021959 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C(Br)C=C(Br)C=C1Br 2,4,6-Tribromophenol 118-79-6|2,4,6-Tribromophenol|1,3,5-Tribromo-2-hydroxybenzene|2,4,6-TBP|2,4,6-tribromofenol|2,4,6-Tribromphenol|Bromkal Pur 3|Bromol|EINECS 204-278-6|Flammex 3BP|NSC 2136|Phenol, 2,4,6-tribromo-|Tribromophenol|UNII-YS6K3EU393|Xeroform https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021959 https://doi.org/10.22427/NTP-DATA-DTXSID6021959
ERPathway2016 ERPathway2016_686 2,4,6-Tribromophenol 118-79-6 DTXSID6021959 ER Pathway Model, Agonist Call Inactive Unitless OC1=C(Br)C=C(Br)C=C1Br 2,4,6-Tribromophenol 118-79-6|2,4,6-Tribromophenol|1,3,5-Tribromo-2-hydroxybenzene|2,4,6-TBP|2,4,6-tribromofenol|2,4,6-Tribromphenol|Bromkal Pur 3|Bromol|EINECS 204-278-6|Flammex 3BP|NSC 2136|Phenol, 2,4,6-tribromo-|Tribromophenol|UNII-YS6K3EU393|Xeroform https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021959 https://doi.org/10.22427/NTP-DATA-DTXSID6021959
ERPathway2016 ERPathway2016_686 2,4,6-Tribromophenol 118-79-6 DTXSID6021959 ER Pathway Model, Antagonist Call Inactive Unitless OC1=C(Br)C=C(Br)C=C1Br 2,4,6-Tribromophenol 118-79-6|2,4,6-Tribromophenol|1,3,5-Tribromo-2-hydroxybenzene|2,4,6-TBP|2,4,6-tribromofenol|2,4,6-Tribromphenol|Bromkal Pur 3|Bromol|EINECS 204-278-6|Flammex 3BP|NSC 2136|Phenol, 2,4,6-tribromo-|Tribromophenol|UNII-YS6K3EU393|Xeroform https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021959 https://doi.org/10.22427/NTP-DATA-DTXSID6021959
ARPathway2016 ARPathway2016_1675 2,4,6-Trichlorophenol 88-06-2 DTXSID5021386 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=C(Cl)C=C(Cl)C=C1Cl 2,4,6-Trichlorophenol 88-06-2|2,4,6-Trichlorophenol|1,3,5-Trichloro-2-hydroxybenzene|2,4,6-TCP|2,4,6-Trichlorfenol|2,4,6-Trichlorphenol|2,4,6-triclorofenol|4-06-00-01005|BRN 0776729|Dowicide 2S|EINECS 201-795-9|NCI-C02904|NSC 2165|Omal|Phenachlor|Phenaclor|Phenol, 2,4,6-trichloro-|RCRA waste number U231|UNII-MHS8C5BAUZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021386 https://doi.org/10.22427/NTP-DATA-DTXSID5021386
ARPathway2016 ARPathway2016_1675 2,4,6-Trichlorophenol 88-06-2 DTXSID5021386 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1=C(Cl)C=C(Cl)C=C1Cl 2,4,6-Trichlorophenol 88-06-2|2,4,6-Trichlorophenol|1,3,5-Trichloro-2-hydroxybenzene|2,4,6-TCP|2,4,6-Trichlorfenol|2,4,6-Trichlorphenol|2,4,6-triclorofenol|4-06-00-01005|BRN 0776729|Dowicide 2S|EINECS 201-795-9|NCI-C02904|NSC 2165|Omal|Phenachlor|Phenaclor|Phenol, 2,4,6-trichloro-|RCRA waste number U231|UNII-MHS8C5BAUZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021386 https://doi.org/10.22427/NTP-DATA-DTXSID5021386
ARPathway2016 ARPathway2016_1675 2,4,6-Trichlorophenol 88-06-2 DTXSID5021386 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1=C(Cl)C=C(Cl)C=C1Cl 2,4,6-Trichlorophenol 88-06-2|2,4,6-Trichlorophenol|1,3,5-Trichloro-2-hydroxybenzene|2,4,6-TCP|2,4,6-Trichlorfenol|2,4,6-Trichlorphenol|2,4,6-triclorofenol|4-06-00-01005|BRN 0776729|Dowicide 2S|EINECS 201-795-9|NCI-C02904|NSC 2165|Omal|Phenachlor|Phenaclor|Phenol, 2,4,6-trichloro-|RCRA waste number U231|UNII-MHS8C5BAUZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021386 https://doi.org/10.22427/NTP-DATA-DTXSID5021386
ARPathway2016 ARPathway2016_1675 2,4,6-Trichlorophenol 88-06-2 DTXSID5021386 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(Cl)C=C(Cl)C=C1Cl 2,4,6-Trichlorophenol 88-06-2|2,4,6-Trichlorophenol|1,3,5-Trichloro-2-hydroxybenzene|2,4,6-TCP|2,4,6-Trichlorfenol|2,4,6-Trichlorphenol|2,4,6-triclorofenol|4-06-00-01005|BRN 0776729|Dowicide 2S|EINECS 201-795-9|NCI-C02904|NSC 2165|Omal|Phenachlor|Phenaclor|Phenol, 2,4,6-trichloro-|RCRA waste number U231|UNII-MHS8C5BAUZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021386 https://doi.org/10.22427/NTP-DATA-DTXSID5021386
ERPathway2016 ERPathway2016_965 2,4,6-Trichlorophenol 88-06-2 DTXSID5021386 ER Pathway Model, Agonist Model Score 0 Unitless OC1=C(Cl)C=C(Cl)C=C1Cl 2,4,6-Trichlorophenol 88-06-2|2,4,6-Trichlorophenol|1,3,5-Trichloro-2-hydroxybenzene|2,4,6-TCP|2,4,6-Trichlorfenol|2,4,6-Trichlorphenol|2,4,6-triclorofenol|4-06-00-01005|BRN 0776729|Dowicide 2S|EINECS 201-795-9|NCI-C02904|NSC 2165|Omal|Phenachlor|Phenaclor|Phenol, 2,4,6-trichloro-|RCRA waste number U231|UNII-MHS8C5BAUZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021386 https://doi.org/10.22427/NTP-DATA-DTXSID5021386
ERPathway2016 ERPathway2016_965 2,4,6-Trichlorophenol 88-06-2 DTXSID5021386 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C(Cl)C=C(Cl)C=C1Cl 2,4,6-Trichlorophenol 88-06-2|2,4,6-Trichlorophenol|1,3,5-Trichloro-2-hydroxybenzene|2,4,6-TCP|2,4,6-Trichlorfenol|2,4,6-Trichlorphenol|2,4,6-triclorofenol|4-06-00-01005|BRN 0776729|Dowicide 2S|EINECS 201-795-9|NCI-C02904|NSC 2165|Omal|Phenachlor|Phenaclor|Phenol, 2,4,6-trichloro-|RCRA waste number U231|UNII-MHS8C5BAUZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021386 https://doi.org/10.22427/NTP-DATA-DTXSID5021386
ERPathway2016 ERPathway2016_965 2,4,6-Trichlorophenol 88-06-2 DTXSID5021386 ER Pathway Model, Agonist Call Inactive Unitless OC1=C(Cl)C=C(Cl)C=C1Cl 2,4,6-Trichlorophenol 88-06-2|2,4,6-Trichlorophenol|1,3,5-Trichloro-2-hydroxybenzene|2,4,6-TCP|2,4,6-Trichlorfenol|2,4,6-Trichlorphenol|2,4,6-triclorofenol|4-06-00-01005|BRN 0776729|Dowicide 2S|EINECS 201-795-9|NCI-C02904|NSC 2165|Omal|Phenachlor|Phenaclor|Phenol, 2,4,6-trichloro-|RCRA waste number U231|UNII-MHS8C5BAUZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021386 https://doi.org/10.22427/NTP-DATA-DTXSID5021386
ERPathway2016 ERPathway2016_965 2,4,6-Trichlorophenol 88-06-2 DTXSID5021386 ER Pathway Model, Antagonist Call Inactive Unitless OC1=C(Cl)C=C(Cl)C=C1Cl 2,4,6-Trichlorophenol 88-06-2|2,4,6-Trichlorophenol|1,3,5-Trichloro-2-hydroxybenzene|2,4,6-TCP|2,4,6-Trichlorfenol|2,4,6-Trichlorphenol|2,4,6-triclorofenol|4-06-00-01005|BRN 0776729|Dowicide 2S|EINECS 201-795-9|NCI-C02904|NSC 2165|Omal|Phenachlor|Phenaclor|Phenol, 2,4,6-trichloro-|RCRA waste number U231|UNII-MHS8C5BAUZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021386 https://doi.org/10.22427/NTP-DATA-DTXSID5021386
ARPathway2016 ARPathway2016_517 2,4,6-Trichloro-s-triazine 108-77-0 DTXSID6026799 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=NC(Cl)=NC(Cl)=N1 2,4,6-Trichloro-s-triazine 108-77-0|2,4,6-Trichloro-s-triazine|1,3,5-Triazine, 2,4,6-trichloro-|1,3,5-Trichloro-2,4,6-triazine|1,3,5-Trichlorotriazine|2,4,6-Trichlor-1,3,5-triazin|2,4,6-Trichloro-1,3,5-triazine|2,4,6-Trichloro-sym-triazine|2,4,6-Trichlorotriazine|2,4,6-tricloro-1,3,5-triazina|5-26-01-00311|BRN 0124246|Chlorotriazine|Cyanur chloride|CYANURCHLORID|Cyanurchloride|Cyanuric acid chloride|Cyanuric acid trichloride|Cyanuric chloride|Cyanuric trichloride|Cyanuryl chloride|EINECS 203-614-9|Isocyanuric trichloride|Kyanurchlorid|NSC 3512|s-Triazine trichloride|s-Triazine, 2,4,6-trichloro-|Solgel W 08|sym-Trichlorotriazine|syn-Trichlotriazin|TRIAZINE (1,3,5), 2,4,6-TRICHLORO-|Trichloro-s-triazine|Trichlorocyanidine|Tricholorotriazine|Tricyanogen chloride|UN 2670|UNII-5U4L4QHD6I|Zorugeru W 08|190086-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026799
ARPathway2016 ARPathway2016_517 2,4,6-Trichloro-s-triazine 108-77-0 DTXSID6026799 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=NC(Cl)=NC(Cl)=N1 2,4,6-Trichloro-s-triazine 108-77-0|2,4,6-Trichloro-s-triazine|1,3,5-Triazine, 2,4,6-trichloro-|1,3,5-Trichloro-2,4,6-triazine|1,3,5-Trichlorotriazine|2,4,6-Trichlor-1,3,5-triazin|2,4,6-Trichloro-1,3,5-triazine|2,4,6-Trichloro-sym-triazine|2,4,6-Trichlorotriazine|2,4,6-tricloro-1,3,5-triazina|5-26-01-00311|BRN 0124246|Chlorotriazine|Cyanur chloride|CYANURCHLORID|Cyanurchloride|Cyanuric acid chloride|Cyanuric acid trichloride|Cyanuric chloride|Cyanuric trichloride|Cyanuryl chloride|EINECS 203-614-9|Isocyanuric trichloride|Kyanurchlorid|NSC 3512|s-Triazine trichloride|s-Triazine, 2,4,6-trichloro-|Solgel W 08|sym-Trichlorotriazine|syn-Trichlotriazin|TRIAZINE (1,3,5), 2,4,6-TRICHLORO-|Trichloro-s-triazine|Trichlorocyanidine|Tricholorotriazine|Tricyanogen chloride|UN 2670|UNII-5U4L4QHD6I|Zorugeru W 08|190086-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026799
ARPathway2016 ARPathway2016_517 2,4,6-Trichloro-s-triazine 108-77-0 DTXSID6026799 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC1=NC(Cl)=NC(Cl)=N1 2,4,6-Trichloro-s-triazine 108-77-0|2,4,6-Trichloro-s-triazine|1,3,5-Triazine, 2,4,6-trichloro-|1,3,5-Trichloro-2,4,6-triazine|1,3,5-Trichlorotriazine|2,4,6-Trichlor-1,3,5-triazin|2,4,6-Trichloro-1,3,5-triazine|2,4,6-Trichloro-sym-triazine|2,4,6-Trichlorotriazine|2,4,6-tricloro-1,3,5-triazina|5-26-01-00311|BRN 0124246|Chlorotriazine|Cyanur chloride|CYANURCHLORID|Cyanurchloride|Cyanuric acid chloride|Cyanuric acid trichloride|Cyanuric chloride|Cyanuric trichloride|Cyanuryl chloride|EINECS 203-614-9|Isocyanuric trichloride|Kyanurchlorid|NSC 3512|s-Triazine trichloride|s-Triazine, 2,4,6-trichloro-|Solgel W 08|sym-Trichlorotriazine|syn-Trichlotriazin|TRIAZINE (1,3,5), 2,4,6-TRICHLORO-|Trichloro-s-triazine|Trichlorocyanidine|Tricholorotriazine|Tricyanogen chloride|UN 2670|UNII-5U4L4QHD6I|Zorugeru W 08|190086-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026799
ARPathway2016 ARPathway2016_517 2,4,6-Trichloro-s-triazine 108-77-0 DTXSID6026799 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=NC(Cl)=NC(Cl)=N1 2,4,6-Trichloro-s-triazine 108-77-0|2,4,6-Trichloro-s-triazine|1,3,5-Triazine, 2,4,6-trichloro-|1,3,5-Trichloro-2,4,6-triazine|1,3,5-Trichlorotriazine|2,4,6-Trichlor-1,3,5-triazin|2,4,6-Trichloro-1,3,5-triazine|2,4,6-Trichloro-sym-triazine|2,4,6-Trichlorotriazine|2,4,6-tricloro-1,3,5-triazina|5-26-01-00311|BRN 0124246|Chlorotriazine|Cyanur chloride|CYANURCHLORID|Cyanurchloride|Cyanuric acid chloride|Cyanuric acid trichloride|Cyanuric chloride|Cyanuric trichloride|Cyanuryl chloride|EINECS 203-614-9|Isocyanuric trichloride|Kyanurchlorid|NSC 3512|s-Triazine trichloride|s-Triazine, 2,4,6-trichloro-|Solgel W 08|sym-Trichlorotriazine|syn-Trichlotriazin|TRIAZINE (1,3,5), 2,4,6-TRICHLORO-|Trichloro-s-triazine|Trichlorocyanidine|Tricholorotriazine|Tricyanogen chloride|UN 2670|UNII-5U4L4QHD6I|Zorugeru W 08|190086-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026799
ERPathway2016 ERPathway2016_468 2,4,6-Trichloro-s-triazine 108-77-0 DTXSID6026799 ER Pathway Model, Antagonist AC50 73.6610978842099 uM ClC1=NC(Cl)=NC(Cl)=N1 2,4,6-Trichloro-s-triazine 108-77-0|2,4,6-Trichloro-s-triazine|1,3,5-Triazine, 2,4,6-trichloro-|1,3,5-Trichloro-2,4,6-triazine|1,3,5-Trichlorotriazine|2,4,6-Trichlor-1,3,5-triazin|2,4,6-Trichloro-1,3,5-triazine|2,4,6-Trichloro-sym-triazine|2,4,6-Trichlorotriazine|2,4,6-tricloro-1,3,5-triazina|5-26-01-00311|BRN 0124246|Chlorotriazine|Cyanur chloride|CYANURCHLORID|Cyanurchloride|Cyanuric acid chloride|Cyanuric acid trichloride|Cyanuric chloride|Cyanuric trichloride|Cyanuryl chloride|EINECS 203-614-9|Isocyanuric trichloride|Kyanurchlorid|NSC 3512|s-Triazine trichloride|s-Triazine, 2,4,6-trichloro-|Solgel W 08|sym-Trichlorotriazine|syn-Trichlotriazin|TRIAZINE (1,3,5), 2,4,6-TRICHLORO-|Trichloro-s-triazine|Trichlorocyanidine|Tricholorotriazine|Tricyanogen chloride|UN 2670|UNII-5U4L4QHD6I|Zorugeru W 08|190086-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026799
ERPathway2016 ERPathway2016_468 2,4,6-Trichloro-s-triazine 108-77-0 DTXSID6026799 ER Pathway Model, Antagonist ACC 48.2484584437519 uM ClC1=NC(Cl)=NC(Cl)=N1 2,4,6-Trichloro-s-triazine 108-77-0|2,4,6-Trichloro-s-triazine|1,3,5-Triazine, 2,4,6-trichloro-|1,3,5-Trichloro-2,4,6-triazine|1,3,5-Trichlorotriazine|2,4,6-Trichlor-1,3,5-triazin|2,4,6-Trichloro-1,3,5-triazine|2,4,6-Trichloro-sym-triazine|2,4,6-Trichlorotriazine|2,4,6-tricloro-1,3,5-triazina|5-26-01-00311|BRN 0124246|Chlorotriazine|Cyanur chloride|CYANURCHLORID|Cyanurchloride|Cyanuric acid chloride|Cyanuric acid trichloride|Cyanuric chloride|Cyanuric trichloride|Cyanuryl chloride|EINECS 203-614-9|Isocyanuric trichloride|Kyanurchlorid|NSC 3512|s-Triazine trichloride|s-Triazine, 2,4,6-trichloro-|Solgel W 08|sym-Trichlorotriazine|syn-Trichlotriazin|TRIAZINE (1,3,5), 2,4,6-TRICHLORO-|Trichloro-s-triazine|Trichlorocyanidine|Tricholorotriazine|Tricyanogen chloride|UN 2670|UNII-5U4L4QHD6I|Zorugeru W 08|190086-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026799
ERPathway2016 ERPathway2016_468 2,4,6-Trichloro-s-triazine 108-77-0 DTXSID6026799 ER Pathway Model, Agonist Model Score 0.00306 Unitless ClC1=NC(Cl)=NC(Cl)=N1 2,4,6-Trichloro-s-triazine 108-77-0|2,4,6-Trichloro-s-triazine|1,3,5-Triazine, 2,4,6-trichloro-|1,3,5-Trichloro-2,4,6-triazine|1,3,5-Trichlorotriazine|2,4,6-Trichlor-1,3,5-triazin|2,4,6-Trichloro-1,3,5-triazine|2,4,6-Trichloro-sym-triazine|2,4,6-Trichlorotriazine|2,4,6-tricloro-1,3,5-triazina|5-26-01-00311|BRN 0124246|Chlorotriazine|Cyanur chloride|CYANURCHLORID|Cyanurchloride|Cyanuric acid chloride|Cyanuric acid trichloride|Cyanuric chloride|Cyanuric trichloride|Cyanuryl chloride|EINECS 203-614-9|Isocyanuric trichloride|Kyanurchlorid|NSC 3512|s-Triazine trichloride|s-Triazine, 2,4,6-trichloro-|Solgel W 08|sym-Trichlorotriazine|syn-Trichlotriazin|TRIAZINE (1,3,5), 2,4,6-TRICHLORO-|Trichloro-s-triazine|Trichlorocyanidine|Tricholorotriazine|Tricyanogen chloride|UN 2670|UNII-5U4L4QHD6I|Zorugeru W 08|190086-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026799
ERPathway2016 ERPathway2016_468 2,4,6-Trichloro-s-triazine 108-77-0 DTXSID6026799 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=NC(Cl)=NC(Cl)=N1 2,4,6-Trichloro-s-triazine 108-77-0|2,4,6-Trichloro-s-triazine|1,3,5-Triazine, 2,4,6-trichloro-|1,3,5-Trichloro-2,4,6-triazine|1,3,5-Trichlorotriazine|2,4,6-Trichlor-1,3,5-triazin|2,4,6-Trichloro-1,3,5-triazine|2,4,6-Trichloro-sym-triazine|2,4,6-Trichlorotriazine|2,4,6-tricloro-1,3,5-triazina|5-26-01-00311|BRN 0124246|Chlorotriazine|Cyanur chloride|CYANURCHLORID|Cyanurchloride|Cyanuric acid chloride|Cyanuric acid trichloride|Cyanuric chloride|Cyanuric trichloride|Cyanuryl chloride|EINECS 203-614-9|Isocyanuric trichloride|Kyanurchlorid|NSC 3512|s-Triazine trichloride|s-Triazine, 2,4,6-trichloro-|Solgel W 08|sym-Trichlorotriazine|syn-Trichlotriazin|TRIAZINE (1,3,5), 2,4,6-TRICHLORO-|Trichloro-s-triazine|Trichlorocyanidine|Tricholorotriazine|Tricyanogen chloride|UN 2670|UNII-5U4L4QHD6I|Zorugeru W 08|190086-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026799
ERPathway2016 ERPathway2016_468 2,4,6-Trichloro-s-triazine 108-77-0 DTXSID6026799 ER Pathway Model, Agonist Call Inactive Unitless ClC1=NC(Cl)=NC(Cl)=N1 2,4,6-Trichloro-s-triazine 108-77-0|2,4,6-Trichloro-s-triazine|1,3,5-Triazine, 2,4,6-trichloro-|1,3,5-Trichloro-2,4,6-triazine|1,3,5-Trichlorotriazine|2,4,6-Trichlor-1,3,5-triazin|2,4,6-Trichloro-1,3,5-triazine|2,4,6-Trichloro-sym-triazine|2,4,6-Trichlorotriazine|2,4,6-tricloro-1,3,5-triazina|5-26-01-00311|BRN 0124246|Chlorotriazine|Cyanur chloride|CYANURCHLORID|Cyanurchloride|Cyanuric acid chloride|Cyanuric acid trichloride|Cyanuric chloride|Cyanuric trichloride|Cyanuryl chloride|EINECS 203-614-9|Isocyanuric trichloride|Kyanurchlorid|NSC 3512|s-Triazine trichloride|s-Triazine, 2,4,6-trichloro-|Solgel W 08|sym-Trichlorotriazine|syn-Trichlotriazin|TRIAZINE (1,3,5), 2,4,6-TRICHLORO-|Trichloro-s-triazine|Trichlorocyanidine|Tricholorotriazine|Tricyanogen chloride|UN 2670|UNII-5U4L4QHD6I|Zorugeru W 08|190086-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026799
ERPathway2016 ERPathway2016_468 2,4,6-Trichloro-s-triazine 108-77-0 DTXSID6026799 ER Pathway Model, Antagonist Call Active Unitless ClC1=NC(Cl)=NC(Cl)=N1 2,4,6-Trichloro-s-triazine 108-77-0|2,4,6-Trichloro-s-triazine|1,3,5-Triazine, 2,4,6-trichloro-|1,3,5-Trichloro-2,4,6-triazine|1,3,5-Trichlorotriazine|2,4,6-Trichlor-1,3,5-triazin|2,4,6-Trichloro-1,3,5-triazine|2,4,6-Trichloro-sym-triazine|2,4,6-Trichlorotriazine|2,4,6-tricloro-1,3,5-triazina|5-26-01-00311|BRN 0124246|Chlorotriazine|Cyanur chloride|CYANURCHLORID|Cyanurchloride|Cyanuric acid chloride|Cyanuric acid trichloride|Cyanuric chloride|Cyanuric trichloride|Cyanuryl chloride|EINECS 203-614-9|Isocyanuric trichloride|Kyanurchlorid|NSC 3512|s-Triazine trichloride|s-Triazine, 2,4,6-trichloro-|Solgel W 08|sym-Trichlorotriazine|syn-Trichlotriazin|TRIAZINE (1,3,5), 2,4,6-TRICHLORO-|Trichloro-s-triazine|Trichlorocyanidine|Tricholorotriazine|Tricyanogen chloride|UN 2670|UNII-5U4L4QHD6I|Zorugeru W 08|190086-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026799
ARPathway2016 ARPathway2016_1230 2,4,6-Trimethylbenzoic acid 480-63-7 DTXSID6048200 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=C(C(O)=O)C(C)=C1 2,4,6-Trimethylbenzoic acid 480-63-7|2,4,6-Trimethylbenzoic acid|4-09-00-01854|Benzoic acid, 2,4,6-trimethyl-|beta-Isodurylic acid|BRN 1866187|EINECS 207-553-9|Mesitoic acid|Mesitylenecarboxylic acid|NSC 1119|UNII-4PU2HG6787 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048200
ARPathway2016 ARPathway2016_1230 2,4,6-Trimethylbenzoic acid 480-63-7 DTXSID6048200 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=C(C(O)=O)C(C)=C1 2,4,6-Trimethylbenzoic acid 480-63-7|2,4,6-Trimethylbenzoic acid|4-09-00-01854|Benzoic acid, 2,4,6-trimethyl-|beta-Isodurylic acid|BRN 1866187|EINECS 207-553-9|Mesitoic acid|Mesitylenecarboxylic acid|NSC 1119|UNII-4PU2HG6787 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048200
ARPathway2016 ARPathway2016_1230 2,4,6-Trimethylbenzoic acid 480-63-7 DTXSID6048200 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=C(C(O)=O)C(C)=C1 2,4,6-Trimethylbenzoic acid 480-63-7|2,4,6-Trimethylbenzoic acid|4-09-00-01854|Benzoic acid, 2,4,6-trimethyl-|beta-Isodurylic acid|BRN 1866187|EINECS 207-553-9|Mesitoic acid|Mesitylenecarboxylic acid|NSC 1119|UNII-4PU2HG6787 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048200
ARPathway2016 ARPathway2016_1230 2,4,6-Trimethylbenzoic acid 480-63-7 DTXSID6048200 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=C(C(O)=O)C(C)=C1 2,4,6-Trimethylbenzoic acid 480-63-7|2,4,6-Trimethylbenzoic acid|4-09-00-01854|Benzoic acid, 2,4,6-trimethyl-|beta-Isodurylic acid|BRN 1866187|EINECS 207-553-9|Mesitoic acid|Mesitylenecarboxylic acid|NSC 1119|UNII-4PU2HG6787 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048200
ERPathway2016 ERPathway2016_1013 2,4,6-Trimethylbenzoic acid 480-63-7 DTXSID6048200 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=C(C(O)=O)C(C)=C1 2,4,6-Trimethylbenzoic acid 480-63-7|2,4,6-Trimethylbenzoic acid|4-09-00-01854|Benzoic acid, 2,4,6-trimethyl-|beta-Isodurylic acid|BRN 1866187|EINECS 207-553-9|Mesitoic acid|Mesitylenecarboxylic acid|NSC 1119|UNII-4PU2HG6787 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048200
ERPathway2016 ERPathway2016_1013 2,4,6-Trimethylbenzoic acid 480-63-7 DTXSID6048200 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=C(C(O)=O)C(C)=C1 2,4,6-Trimethylbenzoic acid 480-63-7|2,4,6-Trimethylbenzoic acid|4-09-00-01854|Benzoic acid, 2,4,6-trimethyl-|beta-Isodurylic acid|BRN 1866187|EINECS 207-553-9|Mesitoic acid|Mesitylenecarboxylic acid|NSC 1119|UNII-4PU2HG6787 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048200
ERPathway2016 ERPathway2016_1013 2,4,6-Trimethylbenzoic acid 480-63-7 DTXSID6048200 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=C(C(O)=O)C(C)=C1 2,4,6-Trimethylbenzoic acid 480-63-7|2,4,6-Trimethylbenzoic acid|4-09-00-01854|Benzoic acid, 2,4,6-trimethyl-|beta-Isodurylic acid|BRN 1866187|EINECS 207-553-9|Mesitoic acid|Mesitylenecarboxylic acid|NSC 1119|UNII-4PU2HG6787 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048200
ERPathway2016 ERPathway2016_1013 2,4,6-Trimethylbenzoic acid 480-63-7 DTXSID6048200 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=C(C(O)=O)C(C)=C1 2,4,6-Trimethylbenzoic acid 480-63-7|2,4,6-Trimethylbenzoic acid|4-09-00-01854|Benzoic acid, 2,4,6-trimethyl-|beta-Isodurylic acid|BRN 1866187|EINECS 207-553-9|Mesitoic acid|Mesitylenecarboxylic acid|NSC 1119|UNII-4PU2HG6787 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048200
ARPathway2016 ARPathway2016_1281 2,4,6-Trimethylphenol 527-60-6 DTXSID7022049 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=C(O)C(C)=C1 2,4,6-Trimethylphenol 527-60-6|2,4,6-Trimethylphenol|1-Hydroxy-2,4,6-trimethylbenzene|1,3,5-Trimethylphenol|2-Hydroxymesitylene|2,4,6-Trimethylofenol|2,4,6-trimetilfenol|2,4,6-Trimetylofenol|4-06-00-03253|4-Methyl-2,6-dimethylphenol|Benzene, 2-hydroxy-1,3,5-trimethyl-|BRN 1859675|EINECS 208-419-2|Hydroxymesitylene|Mesitol|Mesityl alcohol|NSC 231851|NSC 5353|NSC 68321|Phenol, 2,4,6-trimethyl-|UNII-FPZ32614N6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022049
ARPathway2016 ARPathway2016_1281 2,4,6-Trimethylphenol 527-60-6 DTXSID7022049 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=C(O)C(C)=C1 2,4,6-Trimethylphenol 527-60-6|2,4,6-Trimethylphenol|1-Hydroxy-2,4,6-trimethylbenzene|1,3,5-Trimethylphenol|2-Hydroxymesitylene|2,4,6-Trimethylofenol|2,4,6-trimetilfenol|2,4,6-Trimetylofenol|4-06-00-03253|4-Methyl-2,6-dimethylphenol|Benzene, 2-hydroxy-1,3,5-trimethyl-|BRN 1859675|EINECS 208-419-2|Hydroxymesitylene|Mesitol|Mesityl alcohol|NSC 231851|NSC 5353|NSC 68321|Phenol, 2,4,6-trimethyl-|UNII-FPZ32614N6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022049
ARPathway2016 ARPathway2016_1281 2,4,6-Trimethylphenol 527-60-6 DTXSID7022049 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=C(O)C(C)=C1 2,4,6-Trimethylphenol 527-60-6|2,4,6-Trimethylphenol|1-Hydroxy-2,4,6-trimethylbenzene|1,3,5-Trimethylphenol|2-Hydroxymesitylene|2,4,6-Trimethylofenol|2,4,6-trimetilfenol|2,4,6-Trimetylofenol|4-06-00-03253|4-Methyl-2,6-dimethylphenol|Benzene, 2-hydroxy-1,3,5-trimethyl-|BRN 1859675|EINECS 208-419-2|Hydroxymesitylene|Mesitol|Mesityl alcohol|NSC 231851|NSC 5353|NSC 68321|Phenol, 2,4,6-trimethyl-|UNII-FPZ32614N6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022049
ARPathway2016 ARPathway2016_1281 2,4,6-Trimethylphenol 527-60-6 DTXSID7022049 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=C(O)C(C)=C1 2,4,6-Trimethylphenol 527-60-6|2,4,6-Trimethylphenol|1-Hydroxy-2,4,6-trimethylbenzene|1,3,5-Trimethylphenol|2-Hydroxymesitylene|2,4,6-Trimethylofenol|2,4,6-trimetilfenol|2,4,6-Trimetylofenol|4-06-00-03253|4-Methyl-2,6-dimethylphenol|Benzene, 2-hydroxy-1,3,5-trimethyl-|BRN 1859675|EINECS 208-419-2|Hydroxymesitylene|Mesitol|Mesityl alcohol|NSC 231851|NSC 5353|NSC 68321|Phenol, 2,4,6-trimethyl-|UNII-FPZ32614N6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022049
ERPathway2016 ERPathway2016_1036 2,4,6-Trimethylphenol 527-60-6 DTXSID7022049 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=C(O)C(C)=C1 2,4,6-Trimethylphenol 527-60-6|2,4,6-Trimethylphenol|1-Hydroxy-2,4,6-trimethylbenzene|1,3,5-Trimethylphenol|2-Hydroxymesitylene|2,4,6-Trimethylofenol|2,4,6-trimetilfenol|2,4,6-Trimetylofenol|4-06-00-03253|4-Methyl-2,6-dimethylphenol|Benzene, 2-hydroxy-1,3,5-trimethyl-|BRN 1859675|EINECS 208-419-2|Hydroxymesitylene|Mesitol|Mesityl alcohol|NSC 231851|NSC 5353|NSC 68321|Phenol, 2,4,6-trimethyl-|UNII-FPZ32614N6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022049
ERPathway2016 ERPathway2016_1036 2,4,6-Trimethylphenol 527-60-6 DTXSID7022049 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=C(O)C(C)=C1 2,4,6-Trimethylphenol 527-60-6|2,4,6-Trimethylphenol|1-Hydroxy-2,4,6-trimethylbenzene|1,3,5-Trimethylphenol|2-Hydroxymesitylene|2,4,6-Trimethylofenol|2,4,6-trimetilfenol|2,4,6-Trimetylofenol|4-06-00-03253|4-Methyl-2,6-dimethylphenol|Benzene, 2-hydroxy-1,3,5-trimethyl-|BRN 1859675|EINECS 208-419-2|Hydroxymesitylene|Mesitol|Mesityl alcohol|NSC 231851|NSC 5353|NSC 68321|Phenol, 2,4,6-trimethyl-|UNII-FPZ32614N6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022049
ERPathway2016 ERPathway2016_1036 2,4,6-Trimethylphenol 527-60-6 DTXSID7022049 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=C(O)C(C)=C1 2,4,6-Trimethylphenol 527-60-6|2,4,6-Trimethylphenol|1-Hydroxy-2,4,6-trimethylbenzene|1,3,5-Trimethylphenol|2-Hydroxymesitylene|2,4,6-Trimethylofenol|2,4,6-trimetilfenol|2,4,6-Trimetylofenol|4-06-00-03253|4-Methyl-2,6-dimethylphenol|Benzene, 2-hydroxy-1,3,5-trimethyl-|BRN 1859675|EINECS 208-419-2|Hydroxymesitylene|Mesitol|Mesityl alcohol|NSC 231851|NSC 5353|NSC 68321|Phenol, 2,4,6-trimethyl-|UNII-FPZ32614N6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022049
ERPathway2016 ERPathway2016_1036 2,4,6-Trimethylphenol 527-60-6 DTXSID7022049 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=C(O)C(C)=C1 2,4,6-Trimethylphenol 527-60-6|2,4,6-Trimethylphenol|1-Hydroxy-2,4,6-trimethylbenzene|1,3,5-Trimethylphenol|2-Hydroxymesitylene|2,4,6-Trimethylofenol|2,4,6-trimetilfenol|2,4,6-Trimetylofenol|4-06-00-03253|4-Methyl-2,6-dimethylphenol|Benzene, 2-hydroxy-1,3,5-trimethyl-|BRN 1859675|EINECS 208-419-2|Hydroxymesitylene|Mesitol|Mesityl alcohol|NSC 231851|NSC 5353|NSC 68321|Phenol, 2,4,6-trimethyl-|UNII-FPZ32614N6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022049
ARPathway2016 ARPathway2016_410 2,4,6-Tris(allyloxy)-1,3,5-triazine 101-37-1 DTXSID8037754 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C=CCOC1=NC(OCC=C)=NC(OCC=C)=N1 2,4,6-Tris(allyloxy)-1,3,5-triazine 101-37-1|2,4,6-Tris(allyloxy)-1,3,5-triazine|1,3,5-Triazine, 2,4,6-tris(2-propen-1-yloxy)-|1,3,5-Triazine, 2,4,6-tris(2-propenyloxy)-|1,3,5-TRIAZINE,2,4,6-TRIS(2-PROPENYLOXY)-|2,4,6-Tri(allyloxy)-s-triazine|2,4,6-trialiloxi-1,3,5-triazina|2,4,6-Triallyloxy-1,3,5-triazin|2,4,6-Triallyloxy-1,3,5-triazine|2,4,6-Triallyloxy-s-triazine|2,4,6-Triprop-2-ynyloxy-s-triazine|2,4,6-Tris(2-propenyloxy)-1,3,5-triazine|2,4,6-Tris(allyloxy)-s-triazine|2,4,6-Tris(allyloxy)s-triazine|2,4,6-Tris(allyloxy)triazine|5-26-03-00532|Activator OC|BRN 0235560|Cyanuric acid triallyl ester|Cyanuric acid, tri-2-propenyl ester|EINECS 202-936-7|NSC 4804|NSC 49121|Perkalink 300|Perkalink 300-50D|Rhenofit TAC|Rhenofit TAC/S|s-Triazine, 2,4,6-tris(allyloxy)-|Sartomer SR 507|Triallyl cyanaurate|TRIALLYL CYANURATE|TRIAZINE (1,3,5)-2,4,6-TRIS(ALLYLOXY)-|Tripropargyl cyanurate|UNII-CDD3388O1D https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037754
ARPathway2016 ARPathway2016_410 2,4,6-Tris(allyloxy)-1,3,5-triazine 101-37-1 DTXSID8037754 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C=CCOC1=NC(OCC=C)=NC(OCC=C)=N1 2,4,6-Tris(allyloxy)-1,3,5-triazine 101-37-1|2,4,6-Tris(allyloxy)-1,3,5-triazine|1,3,5-Triazine, 2,4,6-tris(2-propen-1-yloxy)-|1,3,5-Triazine, 2,4,6-tris(2-propenyloxy)-|1,3,5-TRIAZINE,2,4,6-TRIS(2-PROPENYLOXY)-|2,4,6-Tri(allyloxy)-s-triazine|2,4,6-trialiloxi-1,3,5-triazina|2,4,6-Triallyloxy-1,3,5-triazin|2,4,6-Triallyloxy-1,3,5-triazine|2,4,6-Triallyloxy-s-triazine|2,4,6-Triprop-2-ynyloxy-s-triazine|2,4,6-Tris(2-propenyloxy)-1,3,5-triazine|2,4,6-Tris(allyloxy)-s-triazine|2,4,6-Tris(allyloxy)s-triazine|2,4,6-Tris(allyloxy)triazine|5-26-03-00532|Activator OC|BRN 0235560|Cyanuric acid triallyl ester|Cyanuric acid, tri-2-propenyl ester|EINECS 202-936-7|NSC 4804|NSC 49121|Perkalink 300|Perkalink 300-50D|Rhenofit TAC|Rhenofit TAC/S|s-Triazine, 2,4,6-tris(allyloxy)-|Sartomer SR 507|Triallyl cyanaurate|TRIALLYL CYANURATE|TRIAZINE (1,3,5)-2,4,6-TRIS(ALLYLOXY)-|Tripropargyl cyanurate|UNII-CDD3388O1D https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037754
ARPathway2016 ARPathway2016_410 2,4,6-Tris(allyloxy)-1,3,5-triazine 101-37-1 DTXSID8037754 0.0 AR Pathway Model, Agonist Call Inactive Unitless C=CCOC1=NC(OCC=C)=NC(OCC=C)=N1 2,4,6-Tris(allyloxy)-1,3,5-triazine 101-37-1|2,4,6-Tris(allyloxy)-1,3,5-triazine|1,3,5-Triazine, 2,4,6-tris(2-propen-1-yloxy)-|1,3,5-Triazine, 2,4,6-tris(2-propenyloxy)-|1,3,5-TRIAZINE,2,4,6-TRIS(2-PROPENYLOXY)-|2,4,6-Tri(allyloxy)-s-triazine|2,4,6-trialiloxi-1,3,5-triazina|2,4,6-Triallyloxy-1,3,5-triazin|2,4,6-Triallyloxy-1,3,5-triazine|2,4,6-Triallyloxy-s-triazine|2,4,6-Triprop-2-ynyloxy-s-triazine|2,4,6-Tris(2-propenyloxy)-1,3,5-triazine|2,4,6-Tris(allyloxy)-s-triazine|2,4,6-Tris(allyloxy)s-triazine|2,4,6-Tris(allyloxy)triazine|5-26-03-00532|Activator OC|BRN 0235560|Cyanuric acid triallyl ester|Cyanuric acid, tri-2-propenyl ester|EINECS 202-936-7|NSC 4804|NSC 49121|Perkalink 300|Perkalink 300-50D|Rhenofit TAC|Rhenofit TAC/S|s-Triazine, 2,4,6-tris(allyloxy)-|Sartomer SR 507|Triallyl cyanaurate|TRIALLYL CYANURATE|TRIAZINE (1,3,5)-2,4,6-TRIS(ALLYLOXY)-|Tripropargyl cyanurate|UNII-CDD3388O1D https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037754
ARPathway2016 ARPathway2016_410 2,4,6-Tris(allyloxy)-1,3,5-triazine 101-37-1 DTXSID8037754 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C=CCOC1=NC(OCC=C)=NC(OCC=C)=N1 2,4,6-Tris(allyloxy)-1,3,5-triazine 101-37-1|2,4,6-Tris(allyloxy)-1,3,5-triazine|1,3,5-Triazine, 2,4,6-tris(2-propen-1-yloxy)-|1,3,5-Triazine, 2,4,6-tris(2-propenyloxy)-|1,3,5-TRIAZINE,2,4,6-TRIS(2-PROPENYLOXY)-|2,4,6-Tri(allyloxy)-s-triazine|2,4,6-trialiloxi-1,3,5-triazina|2,4,6-Triallyloxy-1,3,5-triazin|2,4,6-Triallyloxy-1,3,5-triazine|2,4,6-Triallyloxy-s-triazine|2,4,6-Triprop-2-ynyloxy-s-triazine|2,4,6-Tris(2-propenyloxy)-1,3,5-triazine|2,4,6-Tris(allyloxy)-s-triazine|2,4,6-Tris(allyloxy)s-triazine|2,4,6-Tris(allyloxy)triazine|5-26-03-00532|Activator OC|BRN 0235560|Cyanuric acid triallyl ester|Cyanuric acid, tri-2-propenyl ester|EINECS 202-936-7|NSC 4804|NSC 49121|Perkalink 300|Perkalink 300-50D|Rhenofit TAC|Rhenofit TAC/S|s-Triazine, 2,4,6-tris(allyloxy)-|Sartomer SR 507|Triallyl cyanaurate|TRIALLYL CYANURATE|TRIAZINE (1,3,5)-2,4,6-TRIS(ALLYLOXY)-|Tripropargyl cyanurate|UNII-CDD3388O1D https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037754
ERPathway2016 ERPathway2016_715 2,4,6-Tris(allyloxy)-1,3,5-triazine 101-37-1 DTXSID8037754 ER Pathway Model, Agonist Model Score 0 Unitless C=CCOC1=NC(OCC=C)=NC(OCC=C)=N1 2,4,6-Tris(allyloxy)-1,3,5-triazine 101-37-1|2,4,6-Tris(allyloxy)-1,3,5-triazine|1,3,5-Triazine, 2,4,6-tris(2-propen-1-yloxy)-|1,3,5-Triazine, 2,4,6-tris(2-propenyloxy)-|1,3,5-TRIAZINE,2,4,6-TRIS(2-PROPENYLOXY)-|2,4,6-Tri(allyloxy)-s-triazine|2,4,6-trialiloxi-1,3,5-triazina|2,4,6-Triallyloxy-1,3,5-triazin|2,4,6-Triallyloxy-1,3,5-triazine|2,4,6-Triallyloxy-s-triazine|2,4,6-Triprop-2-ynyloxy-s-triazine|2,4,6-Tris(2-propenyloxy)-1,3,5-triazine|2,4,6-Tris(allyloxy)-s-triazine|2,4,6-Tris(allyloxy)s-triazine|2,4,6-Tris(allyloxy)triazine|5-26-03-00532|Activator OC|BRN 0235560|Cyanuric acid triallyl ester|Cyanuric acid, tri-2-propenyl ester|EINECS 202-936-7|NSC 4804|NSC 49121|Perkalink 300|Perkalink 300-50D|Rhenofit TAC|Rhenofit TAC/S|s-Triazine, 2,4,6-tris(allyloxy)-|Sartomer SR 507|Triallyl cyanaurate|TRIALLYL CYANURATE|TRIAZINE (1,3,5)-2,4,6-TRIS(ALLYLOXY)-|Tripropargyl cyanurate|UNII-CDD3388O1D https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037754
ERPathway2016 ERPathway2016_715 2,4,6-Tris(allyloxy)-1,3,5-triazine 101-37-1 DTXSID8037754 ER Pathway Model, Antagonist Model Score 0 Unitless C=CCOC1=NC(OCC=C)=NC(OCC=C)=N1 2,4,6-Tris(allyloxy)-1,3,5-triazine 101-37-1|2,4,6-Tris(allyloxy)-1,3,5-triazine|1,3,5-Triazine, 2,4,6-tris(2-propen-1-yloxy)-|1,3,5-Triazine, 2,4,6-tris(2-propenyloxy)-|1,3,5-TRIAZINE,2,4,6-TRIS(2-PROPENYLOXY)-|2,4,6-Tri(allyloxy)-s-triazine|2,4,6-trialiloxi-1,3,5-triazina|2,4,6-Triallyloxy-1,3,5-triazin|2,4,6-Triallyloxy-1,3,5-triazine|2,4,6-Triallyloxy-s-triazine|2,4,6-Triprop-2-ynyloxy-s-triazine|2,4,6-Tris(2-propenyloxy)-1,3,5-triazine|2,4,6-Tris(allyloxy)-s-triazine|2,4,6-Tris(allyloxy)s-triazine|2,4,6-Tris(allyloxy)triazine|5-26-03-00532|Activator OC|BRN 0235560|Cyanuric acid triallyl ester|Cyanuric acid, tri-2-propenyl ester|EINECS 202-936-7|NSC 4804|NSC 49121|Perkalink 300|Perkalink 300-50D|Rhenofit TAC|Rhenofit TAC/S|s-Triazine, 2,4,6-tris(allyloxy)-|Sartomer SR 507|Triallyl cyanaurate|TRIALLYL CYANURATE|TRIAZINE (1,3,5)-2,4,6-TRIS(ALLYLOXY)-|Tripropargyl cyanurate|UNII-CDD3388O1D https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037754
ERPathway2016 ERPathway2016_715 2,4,6-Tris(allyloxy)-1,3,5-triazine 101-37-1 DTXSID8037754 ER Pathway Model, Agonist Call Inactive Unitless C=CCOC1=NC(OCC=C)=NC(OCC=C)=N1 2,4,6-Tris(allyloxy)-1,3,5-triazine 101-37-1|2,4,6-Tris(allyloxy)-1,3,5-triazine|1,3,5-Triazine, 2,4,6-tris(2-propen-1-yloxy)-|1,3,5-Triazine, 2,4,6-tris(2-propenyloxy)-|1,3,5-TRIAZINE,2,4,6-TRIS(2-PROPENYLOXY)-|2,4,6-Tri(allyloxy)-s-triazine|2,4,6-trialiloxi-1,3,5-triazina|2,4,6-Triallyloxy-1,3,5-triazin|2,4,6-Triallyloxy-1,3,5-triazine|2,4,6-Triallyloxy-s-triazine|2,4,6-Triprop-2-ynyloxy-s-triazine|2,4,6-Tris(2-propenyloxy)-1,3,5-triazine|2,4,6-Tris(allyloxy)-s-triazine|2,4,6-Tris(allyloxy)s-triazine|2,4,6-Tris(allyloxy)triazine|5-26-03-00532|Activator OC|BRN 0235560|Cyanuric acid triallyl ester|Cyanuric acid, tri-2-propenyl ester|EINECS 202-936-7|NSC 4804|NSC 49121|Perkalink 300|Perkalink 300-50D|Rhenofit TAC|Rhenofit TAC/S|s-Triazine, 2,4,6-tris(allyloxy)-|Sartomer SR 507|Triallyl cyanaurate|TRIALLYL CYANURATE|TRIAZINE (1,3,5)-2,4,6-TRIS(ALLYLOXY)-|Tripropargyl cyanurate|UNII-CDD3388O1D https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037754
ERPathway2016 ERPathway2016_715 2,4,6-Tris(allyloxy)-1,3,5-triazine 101-37-1 DTXSID8037754 ER Pathway Model, Antagonist Call Inactive Unitless C=CCOC1=NC(OCC=C)=NC(OCC=C)=N1 2,4,6-Tris(allyloxy)-1,3,5-triazine 101-37-1|2,4,6-Tris(allyloxy)-1,3,5-triazine|1,3,5-Triazine, 2,4,6-tris(2-propen-1-yloxy)-|1,3,5-Triazine, 2,4,6-tris(2-propenyloxy)-|1,3,5-TRIAZINE,2,4,6-TRIS(2-PROPENYLOXY)-|2,4,6-Tri(allyloxy)-s-triazine|2,4,6-trialiloxi-1,3,5-triazina|2,4,6-Triallyloxy-1,3,5-triazin|2,4,6-Triallyloxy-1,3,5-triazine|2,4,6-Triallyloxy-s-triazine|2,4,6-Triprop-2-ynyloxy-s-triazine|2,4,6-Tris(2-propenyloxy)-1,3,5-triazine|2,4,6-Tris(allyloxy)-s-triazine|2,4,6-Tris(allyloxy)s-triazine|2,4,6-Tris(allyloxy)triazine|5-26-03-00532|Activator OC|BRN 0235560|Cyanuric acid triallyl ester|Cyanuric acid, tri-2-propenyl ester|EINECS 202-936-7|NSC 4804|NSC 49121|Perkalink 300|Perkalink 300-50D|Rhenofit TAC|Rhenofit TAC/S|s-Triazine, 2,4,6-tris(allyloxy)-|Sartomer SR 507|Triallyl cyanaurate|TRIALLYL CYANURATE|TRIAZINE (1,3,5)-2,4,6-TRIS(ALLYLOXY)-|Tripropargyl cyanurate|UNII-CDD3388O1D https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037754
ARPathway2016 ARPathway2016_1704 2,4,6-Tris(dimethylaminomethyl)phenol 90-72-2 DTXSID5026548 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)CC1=CC(CN(C)C)=C(O)C(CN(C)C)=C1 2,4,6-Tris(dimethylaminomethyl)phenol 90-72-2|2,4,6-Tris(dimethylaminomethyl)phenol|2,4,6-Tri(dimethylaminomethyl)phenol|2,4,6-Tridimethylaminomethylphenol|2,4,6-TRIS-(DIMETHYLAMINOMETHYL)-PHENOL|2,4,6-Tris-N,N-dimethylaminomethylfenol|2,4,6-Tris((N,N-dimethylamino)methyl)phenol|2,4,6-tris(dimetilaminometil)fenol|2,4,6-Tris(N,N-dimethylaminomethyl) phenol|2,4,6-Tris[(dimethylamino)methyl]phenol|2,4,6-Tris[(N,N-dimethylamino)methyl]phenol|4-13-00-01946|Actiron NX 3|alpha,alpha',alpha''-Tris(dimethylamino)mesitol|Ancamine 54|Ancamine K 54|Anchor K 54|Araldite DY 061|Araldite DY 064|Araldite Hardener HY 960|Araldite HY 960|BRN 0795751|Capcure EH 30|Dabco TMR 30|EINECS 202-013-9|Epicure 3010|Epilink 230|Mesitol, alpha(sup 2),alpha(sup 4),alpha(sup 6)-tris(dimethylamino)-|Mesitol, alpha2,alpha4,alpha6-tris(dimethylamino)-|Mesitol, a,a',a''-tris(dimethylamino)-|Mesitol, a2,a4,a6-tris(dimethylamino)-|NSC 3257|Phenol, 2,4,6-tris[(dimethylamino)methyl]-|Protex NX 3|Rutapox DMP 30|Sumicure D|TRIS-2,4,6-(DIMETHYLAMINOMETHYL)PHENOL|TRIS(2,4,6-DIMETHYLAMINOMETHYL)PHENOL|TRIS(2,4,6-DIMETHYLAMINOMONO|102256-77-9|111366-64-4|111565-20-9|116283-46-6|152743-49-2|71503-41-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026548
ARPathway2016 ARPathway2016_1704 2,4,6-Tris(dimethylaminomethyl)phenol 90-72-2 DTXSID5026548 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)CC1=CC(CN(C)C)=C(O)C(CN(C)C)=C1 2,4,6-Tris(dimethylaminomethyl)phenol 90-72-2|2,4,6-Tris(dimethylaminomethyl)phenol|2,4,6-Tri(dimethylaminomethyl)phenol|2,4,6-Tridimethylaminomethylphenol|2,4,6-TRIS-(DIMETHYLAMINOMETHYL)-PHENOL|2,4,6-Tris-N,N-dimethylaminomethylfenol|2,4,6-Tris((N,N-dimethylamino)methyl)phenol|2,4,6-tris(dimetilaminometil)fenol|2,4,6-Tris(N,N-dimethylaminomethyl) phenol|2,4,6-Tris[(dimethylamino)methyl]phenol|2,4,6-Tris[(N,N-dimethylamino)methyl]phenol|4-13-00-01946|Actiron NX 3|alpha,alpha',alpha''-Tris(dimethylamino)mesitol|Ancamine 54|Ancamine K 54|Anchor K 54|Araldite DY 061|Araldite DY 064|Araldite Hardener HY 960|Araldite HY 960|BRN 0795751|Capcure EH 30|Dabco TMR 30|EINECS 202-013-9|Epicure 3010|Epilink 230|Mesitol, alpha(sup 2),alpha(sup 4),alpha(sup 6)-tris(dimethylamino)-|Mesitol, alpha2,alpha4,alpha6-tris(dimethylamino)-|Mesitol, a,a',a''-tris(dimethylamino)-|Mesitol, a2,a4,a6-tris(dimethylamino)-|NSC 3257|Phenol, 2,4,6-tris[(dimethylamino)methyl]-|Protex NX 3|Rutapox DMP 30|Sumicure D|TRIS-2,4,6-(DIMETHYLAMINOMETHYL)PHENOL|TRIS(2,4,6-DIMETHYLAMINOMETHYL)PHENOL|TRIS(2,4,6-DIMETHYLAMINOMONO|102256-77-9|111366-64-4|111565-20-9|116283-46-6|152743-49-2|71503-41-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026548
ARPathway2016 ARPathway2016_1704 2,4,6-Tris(dimethylaminomethyl)phenol 90-72-2 DTXSID5026548 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN(C)CC1=CC(CN(C)C)=C(O)C(CN(C)C)=C1 2,4,6-Tris(dimethylaminomethyl)phenol 90-72-2|2,4,6-Tris(dimethylaminomethyl)phenol|2,4,6-Tri(dimethylaminomethyl)phenol|2,4,6-Tridimethylaminomethylphenol|2,4,6-TRIS-(DIMETHYLAMINOMETHYL)-PHENOL|2,4,6-Tris-N,N-dimethylaminomethylfenol|2,4,6-Tris((N,N-dimethylamino)methyl)phenol|2,4,6-tris(dimetilaminometil)fenol|2,4,6-Tris(N,N-dimethylaminomethyl) phenol|2,4,6-Tris[(dimethylamino)methyl]phenol|2,4,6-Tris[(N,N-dimethylamino)methyl]phenol|4-13-00-01946|Actiron NX 3|alpha,alpha',alpha''-Tris(dimethylamino)mesitol|Ancamine 54|Ancamine K 54|Anchor K 54|Araldite DY 061|Araldite DY 064|Araldite Hardener HY 960|Araldite HY 960|BRN 0795751|Capcure EH 30|Dabco TMR 30|EINECS 202-013-9|Epicure 3010|Epilink 230|Mesitol, alpha(sup 2),alpha(sup 4),alpha(sup 6)-tris(dimethylamino)-|Mesitol, alpha2,alpha4,alpha6-tris(dimethylamino)-|Mesitol, a,a',a''-tris(dimethylamino)-|Mesitol, a2,a4,a6-tris(dimethylamino)-|NSC 3257|Phenol, 2,4,6-tris[(dimethylamino)methyl]-|Protex NX 3|Rutapox DMP 30|Sumicure D|TRIS-2,4,6-(DIMETHYLAMINOMETHYL)PHENOL|TRIS(2,4,6-DIMETHYLAMINOMETHYL)PHENOL|TRIS(2,4,6-DIMETHYLAMINOMONO|102256-77-9|111366-64-4|111565-20-9|116283-46-6|152743-49-2|71503-41-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026548
ARPathway2016 ARPathway2016_1704 2,4,6-Tris(dimethylaminomethyl)phenol 90-72-2 DTXSID5026548 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)CC1=CC(CN(C)C)=C(O)C(CN(C)C)=C1 2,4,6-Tris(dimethylaminomethyl)phenol 90-72-2|2,4,6-Tris(dimethylaminomethyl)phenol|2,4,6-Tri(dimethylaminomethyl)phenol|2,4,6-Tridimethylaminomethylphenol|2,4,6-TRIS-(DIMETHYLAMINOMETHYL)-PHENOL|2,4,6-Tris-N,N-dimethylaminomethylfenol|2,4,6-Tris((N,N-dimethylamino)methyl)phenol|2,4,6-tris(dimetilaminometil)fenol|2,4,6-Tris(N,N-dimethylaminomethyl) phenol|2,4,6-Tris[(dimethylamino)methyl]phenol|2,4,6-Tris[(N,N-dimethylamino)methyl]phenol|4-13-00-01946|Actiron NX 3|alpha,alpha',alpha''-Tris(dimethylamino)mesitol|Ancamine 54|Ancamine K 54|Anchor K 54|Araldite DY 061|Araldite DY 064|Araldite Hardener HY 960|Araldite HY 960|BRN 0795751|Capcure EH 30|Dabco TMR 30|EINECS 202-013-9|Epicure 3010|Epilink 230|Mesitol, alpha(sup 2),alpha(sup 4),alpha(sup 6)-tris(dimethylamino)-|Mesitol, alpha2,alpha4,alpha6-tris(dimethylamino)-|Mesitol, a,a',a''-tris(dimethylamino)-|Mesitol, a2,a4,a6-tris(dimethylamino)-|NSC 3257|Phenol, 2,4,6-tris[(dimethylamino)methyl]-|Protex NX 3|Rutapox DMP 30|Sumicure D|TRIS-2,4,6-(DIMETHYLAMINOMETHYL)PHENOL|TRIS(2,4,6-DIMETHYLAMINOMETHYL)PHENOL|TRIS(2,4,6-DIMETHYLAMINOMONO|102256-77-9|111366-64-4|111565-20-9|116283-46-6|152743-49-2|71503-41-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026548
ERPathway2016 ERPathway2016_1736 2,4,6-Tris(dimethylaminomethyl)phenol 90-72-2 DTXSID5026548 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)CC1=CC(CN(C)C)=C(O)C(CN(C)C)=C1 2,4,6-Tris(dimethylaminomethyl)phenol 90-72-2|2,4,6-Tris(dimethylaminomethyl)phenol|2,4,6-Tri(dimethylaminomethyl)phenol|2,4,6-Tridimethylaminomethylphenol|2,4,6-TRIS-(DIMETHYLAMINOMETHYL)-PHENOL|2,4,6-Tris-N,N-dimethylaminomethylfenol|2,4,6-Tris((N,N-dimethylamino)methyl)phenol|2,4,6-tris(dimetilaminometil)fenol|2,4,6-Tris(N,N-dimethylaminomethyl) phenol|2,4,6-Tris[(dimethylamino)methyl]phenol|2,4,6-Tris[(N,N-dimethylamino)methyl]phenol|4-13-00-01946|Actiron NX 3|alpha,alpha',alpha''-Tris(dimethylamino)mesitol|Ancamine 54|Ancamine K 54|Anchor K 54|Araldite DY 061|Araldite DY 064|Araldite Hardener HY 960|Araldite HY 960|BRN 0795751|Capcure EH 30|Dabco TMR 30|EINECS 202-013-9|Epicure 3010|Epilink 230|Mesitol, alpha(sup 2),alpha(sup 4),alpha(sup 6)-tris(dimethylamino)-|Mesitol, alpha2,alpha4,alpha6-tris(dimethylamino)-|Mesitol, a,a',a''-tris(dimethylamino)-|Mesitol, a2,a4,a6-tris(dimethylamino)-|NSC 3257|Phenol, 2,4,6-tris[(dimethylamino)methyl]-|Protex NX 3|Rutapox DMP 30|Sumicure D|TRIS-2,4,6-(DIMETHYLAMINOMETHYL)PHENOL|TRIS(2,4,6-DIMETHYLAMINOMETHYL)PHENOL|TRIS(2,4,6-DIMETHYLAMINOMONO|102256-77-9|111366-64-4|111565-20-9|116283-46-6|152743-49-2|71503-41-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026548
ERPathway2016 ERPathway2016_1736 2,4,6-Tris(dimethylaminomethyl)phenol 90-72-2 DTXSID5026548 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)CC1=CC(CN(C)C)=C(O)C(CN(C)C)=C1 2,4,6-Tris(dimethylaminomethyl)phenol 90-72-2|2,4,6-Tris(dimethylaminomethyl)phenol|2,4,6-Tri(dimethylaminomethyl)phenol|2,4,6-Tridimethylaminomethylphenol|2,4,6-TRIS-(DIMETHYLAMINOMETHYL)-PHENOL|2,4,6-Tris-N,N-dimethylaminomethylfenol|2,4,6-Tris((N,N-dimethylamino)methyl)phenol|2,4,6-tris(dimetilaminometil)fenol|2,4,6-Tris(N,N-dimethylaminomethyl) phenol|2,4,6-Tris[(dimethylamino)methyl]phenol|2,4,6-Tris[(N,N-dimethylamino)methyl]phenol|4-13-00-01946|Actiron NX 3|alpha,alpha',alpha''-Tris(dimethylamino)mesitol|Ancamine 54|Ancamine K 54|Anchor K 54|Araldite DY 061|Araldite DY 064|Araldite Hardener HY 960|Araldite HY 960|BRN 0795751|Capcure EH 30|Dabco TMR 30|EINECS 202-013-9|Epicure 3010|Epilink 230|Mesitol, alpha(sup 2),alpha(sup 4),alpha(sup 6)-tris(dimethylamino)-|Mesitol, alpha2,alpha4,alpha6-tris(dimethylamino)-|Mesitol, a,a',a''-tris(dimethylamino)-|Mesitol, a2,a4,a6-tris(dimethylamino)-|NSC 3257|Phenol, 2,4,6-tris[(dimethylamino)methyl]-|Protex NX 3|Rutapox DMP 30|Sumicure D|TRIS-2,4,6-(DIMETHYLAMINOMETHYL)PHENOL|TRIS(2,4,6-DIMETHYLAMINOMETHYL)PHENOL|TRIS(2,4,6-DIMETHYLAMINOMONO|102256-77-9|111366-64-4|111565-20-9|116283-46-6|152743-49-2|71503-41-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026548
ERPathway2016 ERPathway2016_1736 2,4,6-Tris(dimethylaminomethyl)phenol 90-72-2 DTXSID5026548 ER Pathway Model, Agonist Call Inactive Unitless CN(C)CC1=CC(CN(C)C)=C(O)C(CN(C)C)=C1 2,4,6-Tris(dimethylaminomethyl)phenol 90-72-2|2,4,6-Tris(dimethylaminomethyl)phenol|2,4,6-Tri(dimethylaminomethyl)phenol|2,4,6-Tridimethylaminomethylphenol|2,4,6-TRIS-(DIMETHYLAMINOMETHYL)-PHENOL|2,4,6-Tris-N,N-dimethylaminomethylfenol|2,4,6-Tris((N,N-dimethylamino)methyl)phenol|2,4,6-tris(dimetilaminometil)fenol|2,4,6-Tris(N,N-dimethylaminomethyl) phenol|2,4,6-Tris[(dimethylamino)methyl]phenol|2,4,6-Tris[(N,N-dimethylamino)methyl]phenol|4-13-00-01946|Actiron NX 3|alpha,alpha',alpha''-Tris(dimethylamino)mesitol|Ancamine 54|Ancamine K 54|Anchor K 54|Araldite DY 061|Araldite DY 064|Araldite Hardener HY 960|Araldite HY 960|BRN 0795751|Capcure EH 30|Dabco TMR 30|EINECS 202-013-9|Epicure 3010|Epilink 230|Mesitol, alpha(sup 2),alpha(sup 4),alpha(sup 6)-tris(dimethylamino)-|Mesitol, alpha2,alpha4,alpha6-tris(dimethylamino)-|Mesitol, a,a',a''-tris(dimethylamino)-|Mesitol, a2,a4,a6-tris(dimethylamino)-|NSC 3257|Phenol, 2,4,6-tris[(dimethylamino)methyl]-|Protex NX 3|Rutapox DMP 30|Sumicure D|TRIS-2,4,6-(DIMETHYLAMINOMETHYL)PHENOL|TRIS(2,4,6-DIMETHYLAMINOMETHYL)PHENOL|TRIS(2,4,6-DIMETHYLAMINOMONO|102256-77-9|111366-64-4|111565-20-9|116283-46-6|152743-49-2|71503-41-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026548
ERPathway2016 ERPathway2016_1736 2,4,6-Tris(dimethylaminomethyl)phenol 90-72-2 DTXSID5026548 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)CC1=CC(CN(C)C)=C(O)C(CN(C)C)=C1 2,4,6-Tris(dimethylaminomethyl)phenol 90-72-2|2,4,6-Tris(dimethylaminomethyl)phenol|2,4,6-Tri(dimethylaminomethyl)phenol|2,4,6-Tridimethylaminomethylphenol|2,4,6-TRIS-(DIMETHYLAMINOMETHYL)-PHENOL|2,4,6-Tris-N,N-dimethylaminomethylfenol|2,4,6-Tris((N,N-dimethylamino)methyl)phenol|2,4,6-tris(dimetilaminometil)fenol|2,4,6-Tris(N,N-dimethylaminomethyl) phenol|2,4,6-Tris[(dimethylamino)methyl]phenol|2,4,6-Tris[(N,N-dimethylamino)methyl]phenol|4-13-00-01946|Actiron NX 3|alpha,alpha',alpha''-Tris(dimethylamino)mesitol|Ancamine 54|Ancamine K 54|Anchor K 54|Araldite DY 061|Araldite DY 064|Araldite Hardener HY 960|Araldite HY 960|BRN 0795751|Capcure EH 30|Dabco TMR 30|EINECS 202-013-9|Epicure 3010|Epilink 230|Mesitol, alpha(sup 2),alpha(sup 4),alpha(sup 6)-tris(dimethylamino)-|Mesitol, alpha2,alpha4,alpha6-tris(dimethylamino)-|Mesitol, a,a',a''-tris(dimethylamino)-|Mesitol, a2,a4,a6-tris(dimethylamino)-|NSC 3257|Phenol, 2,4,6-tris[(dimethylamino)methyl]-|Protex NX 3|Rutapox DMP 30|Sumicure D|TRIS-2,4,6-(DIMETHYLAMINOMETHYL)PHENOL|TRIS(2,4,6-DIMETHYLAMINOMETHYL)PHENOL|TRIS(2,4,6-DIMETHYLAMINOMONO|102256-77-9|111366-64-4|111565-20-9|116283-46-6|152743-49-2|71503-41-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026548
ARPathway2016 ARPathway2016_1519 2,4,6-Tris(tert-butyl)phenol 732-26-3 DTXSID2021311 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,4,6-Tris(tert-butyl)phenol 732-26-3|2,4,6-Tris(tert-butyl)phenol|2,4,6-Tri-t-butylphenol|2,4,6-tri-terc-butilfenol|2,4,6-TRI-TERT-BUTYL PHENOL|2,4,6-Tri-tert-butyl-1-hydroxybenzene|2,4,6-tri-tert-Butylphenol|2,4,6-TRI-TERT.-BUTYLPHENOL|2,4,6-Tris(1,1-dimethylethyl)phenol|2,4,6-tritert-butylphenol|Alkofen B|EINECS 211-989-5|NSC 14459|Phenol, 2,4,6-tri-tert-butyl-|Phenol, 2,4,6-tri(1,1-dimethylethyl)-|Phenol, 2,4,6-tris(1,1-dimethylethyl)-|Tri-tert-butylphenol|Tris(1,1-dimethylethyl)phenol|UNII-99J2VIC675|11100-56-4|1333-60-4|19879-87-9|50356-20-2|53320-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021311
ARPathway2016 ARPathway2016_1519 2,4,6-Tris(tert-butyl)phenol 732-26-3 DTXSID2021311 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,4,6-Tris(tert-butyl)phenol 732-26-3|2,4,6-Tris(tert-butyl)phenol|2,4,6-Tri-t-butylphenol|2,4,6-tri-terc-butilfenol|2,4,6-TRI-TERT-BUTYL PHENOL|2,4,6-Tri-tert-butyl-1-hydroxybenzene|2,4,6-tri-tert-Butylphenol|2,4,6-TRI-TERT.-BUTYLPHENOL|2,4,6-Tris(1,1-dimethylethyl)phenol|2,4,6-tritert-butylphenol|Alkofen B|EINECS 211-989-5|NSC 14459|Phenol, 2,4,6-tri-tert-butyl-|Phenol, 2,4,6-tri(1,1-dimethylethyl)-|Phenol, 2,4,6-tris(1,1-dimethylethyl)-|Tri-tert-butylphenol|Tris(1,1-dimethylethyl)phenol|UNII-99J2VIC675|11100-56-4|1333-60-4|19879-87-9|50356-20-2|53320-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021311
ARPathway2016 ARPathway2016_1519 2,4,6-Tris(tert-butyl)phenol 732-26-3 DTXSID2021311 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,4,6-Tris(tert-butyl)phenol 732-26-3|2,4,6-Tris(tert-butyl)phenol|2,4,6-Tri-t-butylphenol|2,4,6-tri-terc-butilfenol|2,4,6-TRI-TERT-BUTYL PHENOL|2,4,6-Tri-tert-butyl-1-hydroxybenzene|2,4,6-tri-tert-Butylphenol|2,4,6-TRI-TERT.-BUTYLPHENOL|2,4,6-Tris(1,1-dimethylethyl)phenol|2,4,6-tritert-butylphenol|Alkofen B|EINECS 211-989-5|NSC 14459|Phenol, 2,4,6-tri-tert-butyl-|Phenol, 2,4,6-tri(1,1-dimethylethyl)-|Phenol, 2,4,6-tris(1,1-dimethylethyl)-|Tri-tert-butylphenol|Tris(1,1-dimethylethyl)phenol|UNII-99J2VIC675|11100-56-4|1333-60-4|19879-87-9|50356-20-2|53320-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021311
ARPathway2016 ARPathway2016_1519 2,4,6-Tris(tert-butyl)phenol 732-26-3 DTXSID2021311 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,4,6-Tris(tert-butyl)phenol 732-26-3|2,4,6-Tris(tert-butyl)phenol|2,4,6-Tri-t-butylphenol|2,4,6-tri-terc-butilfenol|2,4,6-TRI-TERT-BUTYL PHENOL|2,4,6-Tri-tert-butyl-1-hydroxybenzene|2,4,6-tri-tert-Butylphenol|2,4,6-TRI-TERT.-BUTYLPHENOL|2,4,6-Tris(1,1-dimethylethyl)phenol|2,4,6-tritert-butylphenol|Alkofen B|EINECS 211-989-5|NSC 14459|Phenol, 2,4,6-tri-tert-butyl-|Phenol, 2,4,6-tri(1,1-dimethylethyl)-|Phenol, 2,4,6-tris(1,1-dimethylethyl)-|Tri-tert-butylphenol|Tris(1,1-dimethylethyl)phenol|UNII-99J2VIC675|11100-56-4|1333-60-4|19879-87-9|50356-20-2|53320-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021311
ERPathway2016 ERPathway2016_866 2,4,6-Tris(tert-butyl)phenol 732-26-3 DTXSID2021311 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,4,6-Tris(tert-butyl)phenol 732-26-3|2,4,6-Tris(tert-butyl)phenol|2,4,6-Tri-t-butylphenol|2,4,6-tri-terc-butilfenol|2,4,6-TRI-TERT-BUTYL PHENOL|2,4,6-Tri-tert-butyl-1-hydroxybenzene|2,4,6-tri-tert-Butylphenol|2,4,6-TRI-TERT.-BUTYLPHENOL|2,4,6-Tris(1,1-dimethylethyl)phenol|2,4,6-tritert-butylphenol|Alkofen B|EINECS 211-989-5|NSC 14459|Phenol, 2,4,6-tri-tert-butyl-|Phenol, 2,4,6-tri(1,1-dimethylethyl)-|Phenol, 2,4,6-tris(1,1-dimethylethyl)-|Tri-tert-butylphenol|Tris(1,1-dimethylethyl)phenol|UNII-99J2VIC675|11100-56-4|1333-60-4|19879-87-9|50356-20-2|53320-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021311
ERPathway2016 ERPathway2016_866 2,4,6-Tris(tert-butyl)phenol 732-26-3 DTXSID2021311 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,4,6-Tris(tert-butyl)phenol 732-26-3|2,4,6-Tris(tert-butyl)phenol|2,4,6-Tri-t-butylphenol|2,4,6-tri-terc-butilfenol|2,4,6-TRI-TERT-BUTYL PHENOL|2,4,6-Tri-tert-butyl-1-hydroxybenzene|2,4,6-tri-tert-Butylphenol|2,4,6-TRI-TERT.-BUTYLPHENOL|2,4,6-Tris(1,1-dimethylethyl)phenol|2,4,6-tritert-butylphenol|Alkofen B|EINECS 211-989-5|NSC 14459|Phenol, 2,4,6-tri-tert-butyl-|Phenol, 2,4,6-tri(1,1-dimethylethyl)-|Phenol, 2,4,6-tris(1,1-dimethylethyl)-|Tri-tert-butylphenol|Tris(1,1-dimethylethyl)phenol|UNII-99J2VIC675|11100-56-4|1333-60-4|19879-87-9|50356-20-2|53320-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021311
ERPathway2016 ERPathway2016_866 2,4,6-Tris(tert-butyl)phenol 732-26-3 DTXSID2021311 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,4,6-Tris(tert-butyl)phenol 732-26-3|2,4,6-Tris(tert-butyl)phenol|2,4,6-Tri-t-butylphenol|2,4,6-tri-terc-butilfenol|2,4,6-TRI-TERT-BUTYL PHENOL|2,4,6-Tri-tert-butyl-1-hydroxybenzene|2,4,6-tri-tert-Butylphenol|2,4,6-TRI-TERT.-BUTYLPHENOL|2,4,6-Tris(1,1-dimethylethyl)phenol|2,4,6-tritert-butylphenol|Alkofen B|EINECS 211-989-5|NSC 14459|Phenol, 2,4,6-tri-tert-butyl-|Phenol, 2,4,6-tri(1,1-dimethylethyl)-|Phenol, 2,4,6-tris(1,1-dimethylethyl)-|Tri-tert-butylphenol|Tris(1,1-dimethylethyl)phenol|UNII-99J2VIC675|11100-56-4|1333-60-4|19879-87-9|50356-20-2|53320-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021311
ERPathway2016 ERPathway2016_866 2,4,6-Tris(tert-butyl)phenol 732-26-3 DTXSID2021311 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,4,6-Tris(tert-butyl)phenol 732-26-3|2,4,6-Tris(tert-butyl)phenol|2,4,6-Tri-t-butylphenol|2,4,6-tri-terc-butilfenol|2,4,6-TRI-TERT-BUTYL PHENOL|2,4,6-Tri-tert-butyl-1-hydroxybenzene|2,4,6-tri-tert-Butylphenol|2,4,6-TRI-TERT.-BUTYLPHENOL|2,4,6-Tris(1,1-dimethylethyl)phenol|2,4,6-tritert-butylphenol|Alkofen B|EINECS 211-989-5|NSC 14459|Phenol, 2,4,6-tri-tert-butyl-|Phenol, 2,4,6-tri(1,1-dimethylethyl)-|Phenol, 2,4,6-tris(1,1-dimethylethyl)-|Tri-tert-butylphenol|Tris(1,1-dimethylethyl)phenol|UNII-99J2VIC675|11100-56-4|1333-60-4|19879-87-9|50356-20-2|53320-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021311
ARPathway2016 ARPathway2016_750 2,4,7,9-Tetramethyl-5-decyne-4,7-diol 126-86-3 DTXSID7027041 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)CC(C)(O)C#CC(C)(O)CC(C)C 2,4,7,9-Tetramethyl-5-decyne-4,7-diol 126-86-3|2,4,7,9-Tetramethyl-5-decyne-4,7-diol|1,4-Diisobutyl-1,4-dimethylbutynediol|2,4,7,9-Tetramethyl-5-decyn-4,7-diol|2,4,7,9-Tetramethyl-5-decyne-4,7-diol|2,4,7,9-tetrametildec-5-ino-4,7-diol|5-Decino-4 ,7-diol, 2,4,7,9-tetrametil -|5- Decyne- 4, 7- diol, 2, 4, 7, 9- tetramethyl-|5,DECYNE-4,7-DIOL, 2,4,7,9-TETRAMETHYL-|Acetylenol E 00|DEC-5-YNE-4,7-DIOL, 2,4,7,9-TETRAMETHYL-|EINECS 204-809-1|NSC 5630|Olfine AK 02|Olfine PD 001|Olfine PD 301|Olfine STG-E|Surfadol 541|Surfynol 104|Surfynol 104A|Surfynol 104BC|Surfynol 104E|Surfynol 104H|Surfynol 104PA|Surfynol CT 111|Surfynol PG 50|Surfynol TG|Syrfynol 104|Zetasperse 1200|149079-55-0|166737-17-3|170006-53-8|171023-04-4|37211-43-1|504414-59-9|61879-19-4|8043-35-4|845642-79-7|867273-13-0|872345-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027041
ARPathway2016 ARPathway2016_750 2,4,7,9-Tetramethyl-5-decyne-4,7-diol 126-86-3 DTXSID7027041 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)CC(C)(O)C#CC(C)(O)CC(C)C 2,4,7,9-Tetramethyl-5-decyne-4,7-diol 126-86-3|2,4,7,9-Tetramethyl-5-decyne-4,7-diol|1,4-Diisobutyl-1,4-dimethylbutynediol|2,4,7,9-Tetramethyl-5-decyn-4,7-diol|2,4,7,9-Tetramethyl-5-decyne-4,7-diol|2,4,7,9-tetrametildec-5-ino-4,7-diol|5-Decino-4 ,7-diol, 2,4,7,9-tetrametil -|5- Decyne- 4, 7- diol, 2, 4, 7, 9- tetramethyl-|5,DECYNE-4,7-DIOL, 2,4,7,9-TETRAMETHYL-|Acetylenol E 00|DEC-5-YNE-4,7-DIOL, 2,4,7,9-TETRAMETHYL-|EINECS 204-809-1|NSC 5630|Olfine AK 02|Olfine PD 001|Olfine PD 301|Olfine STG-E|Surfadol 541|Surfynol 104|Surfynol 104A|Surfynol 104BC|Surfynol 104E|Surfynol 104H|Surfynol 104PA|Surfynol CT 111|Surfynol PG 50|Surfynol TG|Syrfynol 104|Zetasperse 1200|149079-55-0|166737-17-3|170006-53-8|171023-04-4|37211-43-1|504414-59-9|61879-19-4|8043-35-4|845642-79-7|867273-13-0|872345-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027041
ARPathway2016 ARPathway2016_750 2,4,7,9-Tetramethyl-5-decyne-4,7-diol 126-86-3 DTXSID7027041 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)CC(C)(O)C#CC(C)(O)CC(C)C 2,4,7,9-Tetramethyl-5-decyne-4,7-diol 126-86-3|2,4,7,9-Tetramethyl-5-decyne-4,7-diol|1,4-Diisobutyl-1,4-dimethylbutynediol|2,4,7,9-Tetramethyl-5-decyn-4,7-diol|2,4,7,9-Tetramethyl-5-decyne-4,7-diol|2,4,7,9-tetrametildec-5-ino-4,7-diol|5-Decino-4 ,7-diol, 2,4,7,9-tetrametil -|5- Decyne- 4, 7- diol, 2, 4, 7, 9- tetramethyl-|5,DECYNE-4,7-DIOL, 2,4,7,9-TETRAMETHYL-|Acetylenol E 00|DEC-5-YNE-4,7-DIOL, 2,4,7,9-TETRAMETHYL-|EINECS 204-809-1|NSC 5630|Olfine AK 02|Olfine PD 001|Olfine PD 301|Olfine STG-E|Surfadol 541|Surfynol 104|Surfynol 104A|Surfynol 104BC|Surfynol 104E|Surfynol 104H|Surfynol 104PA|Surfynol CT 111|Surfynol PG 50|Surfynol TG|Syrfynol 104|Zetasperse 1200|149079-55-0|166737-17-3|170006-53-8|171023-04-4|37211-43-1|504414-59-9|61879-19-4|8043-35-4|845642-79-7|867273-13-0|872345-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027041
ARPathway2016 ARPathway2016_750 2,4,7,9-Tetramethyl-5-decyne-4,7-diol 126-86-3 DTXSID7027041 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)CC(C)(O)C#CC(C)(O)CC(C)C 2,4,7,9-Tetramethyl-5-decyne-4,7-diol 126-86-3|2,4,7,9-Tetramethyl-5-decyne-4,7-diol|1,4-Diisobutyl-1,4-dimethylbutynediol|2,4,7,9-Tetramethyl-5-decyn-4,7-diol|2,4,7,9-Tetramethyl-5-decyne-4,7-diol|2,4,7,9-tetrametildec-5-ino-4,7-diol|5-Decino-4 ,7-diol, 2,4,7,9-tetrametil -|5- Decyne- 4, 7- diol, 2, 4, 7, 9- tetramethyl-|5,DECYNE-4,7-DIOL, 2,4,7,9-TETRAMETHYL-|Acetylenol E 00|DEC-5-YNE-4,7-DIOL, 2,4,7,9-TETRAMETHYL-|EINECS 204-809-1|NSC 5630|Olfine AK 02|Olfine PD 001|Olfine PD 301|Olfine STG-E|Surfadol 541|Surfynol 104|Surfynol 104A|Surfynol 104BC|Surfynol 104E|Surfynol 104H|Surfynol 104PA|Surfynol CT 111|Surfynol PG 50|Surfynol TG|Syrfynol 104|Zetasperse 1200|149079-55-0|166737-17-3|170006-53-8|171023-04-4|37211-43-1|504414-59-9|61879-19-4|8043-35-4|845642-79-7|867273-13-0|872345-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027041
ERPathway2016 ERPathway2016_1257 2,4,7,9-Tetramethyl-5-decyne-4,7-diol 126-86-3 DTXSID7027041 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)CC(C)(O)C#CC(C)(O)CC(C)C 2,4,7,9-Tetramethyl-5-decyne-4,7-diol 126-86-3|2,4,7,9-Tetramethyl-5-decyne-4,7-diol|1,4-Diisobutyl-1,4-dimethylbutynediol|2,4,7,9-Tetramethyl-5-decyn-4,7-diol|2,4,7,9-Tetramethyl-5-decyne-4,7-diol|2,4,7,9-tetrametildec-5-ino-4,7-diol|5-Decino-4 ,7-diol, 2,4,7,9-tetrametil -|5- Decyne- 4, 7- diol, 2, 4, 7, 9- tetramethyl-|5,DECYNE-4,7-DIOL, 2,4,7,9-TETRAMETHYL-|Acetylenol E 00|DEC-5-YNE-4,7-DIOL, 2,4,7,9-TETRAMETHYL-|EINECS 204-809-1|NSC 5630|Olfine AK 02|Olfine PD 001|Olfine PD 301|Olfine STG-E|Surfadol 541|Surfynol 104|Surfynol 104A|Surfynol 104BC|Surfynol 104E|Surfynol 104H|Surfynol 104PA|Surfynol CT 111|Surfynol PG 50|Surfynol TG|Syrfynol 104|Zetasperse 1200|149079-55-0|166737-17-3|170006-53-8|171023-04-4|37211-43-1|504414-59-9|61879-19-4|8043-35-4|845642-79-7|867273-13-0|872345-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027041
ERPathway2016 ERPathway2016_1257 2,4,7,9-Tetramethyl-5-decyne-4,7-diol 126-86-3 DTXSID7027041 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)CC(C)(O)C#CC(C)(O)CC(C)C 2,4,7,9-Tetramethyl-5-decyne-4,7-diol 126-86-3|2,4,7,9-Tetramethyl-5-decyne-4,7-diol|1,4-Diisobutyl-1,4-dimethylbutynediol|2,4,7,9-Tetramethyl-5-decyn-4,7-diol|2,4,7,9-Tetramethyl-5-decyne-4,7-diol|2,4,7,9-tetrametildec-5-ino-4,7-diol|5-Decino-4 ,7-diol, 2,4,7,9-tetrametil -|5- Decyne- 4, 7- diol, 2, 4, 7, 9- tetramethyl-|5,DECYNE-4,7-DIOL, 2,4,7,9-TETRAMETHYL-|Acetylenol E 00|DEC-5-YNE-4,7-DIOL, 2,4,7,9-TETRAMETHYL-|EINECS 204-809-1|NSC 5630|Olfine AK 02|Olfine PD 001|Olfine PD 301|Olfine STG-E|Surfadol 541|Surfynol 104|Surfynol 104A|Surfynol 104BC|Surfynol 104E|Surfynol 104H|Surfynol 104PA|Surfynol CT 111|Surfynol PG 50|Surfynol TG|Syrfynol 104|Zetasperse 1200|149079-55-0|166737-17-3|170006-53-8|171023-04-4|37211-43-1|504414-59-9|61879-19-4|8043-35-4|845642-79-7|867273-13-0|872345-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027041
ERPathway2016 ERPathway2016_1257 2,4,7,9-Tetramethyl-5-decyne-4,7-diol 126-86-3 DTXSID7027041 ER Pathway Model, Agonist Call Inactive Unitless CC(C)CC(C)(O)C#CC(C)(O)CC(C)C 2,4,7,9-Tetramethyl-5-decyne-4,7-diol 126-86-3|2,4,7,9-Tetramethyl-5-decyne-4,7-diol|1,4-Diisobutyl-1,4-dimethylbutynediol|2,4,7,9-Tetramethyl-5-decyn-4,7-diol|2,4,7,9-Tetramethyl-5-decyne-4,7-diol|2,4,7,9-tetrametildec-5-ino-4,7-diol|5-Decino-4 ,7-diol, 2,4,7,9-tetrametil -|5- Decyne- 4, 7- diol, 2, 4, 7, 9- tetramethyl-|5,DECYNE-4,7-DIOL, 2,4,7,9-TETRAMETHYL-|Acetylenol E 00|DEC-5-YNE-4,7-DIOL, 2,4,7,9-TETRAMETHYL-|EINECS 204-809-1|NSC 5630|Olfine AK 02|Olfine PD 001|Olfine PD 301|Olfine STG-E|Surfadol 541|Surfynol 104|Surfynol 104A|Surfynol 104BC|Surfynol 104E|Surfynol 104H|Surfynol 104PA|Surfynol CT 111|Surfynol PG 50|Surfynol TG|Syrfynol 104|Zetasperse 1200|149079-55-0|166737-17-3|170006-53-8|171023-04-4|37211-43-1|504414-59-9|61879-19-4|8043-35-4|845642-79-7|867273-13-0|872345-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027041
ERPathway2016 ERPathway2016_1257 2,4,7,9-Tetramethyl-5-decyne-4,7-diol 126-86-3 DTXSID7027041 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)CC(C)(O)C#CC(C)(O)CC(C)C 2,4,7,9-Tetramethyl-5-decyne-4,7-diol 126-86-3|2,4,7,9-Tetramethyl-5-decyne-4,7-diol|1,4-Diisobutyl-1,4-dimethylbutynediol|2,4,7,9-Tetramethyl-5-decyn-4,7-diol|2,4,7,9-Tetramethyl-5-decyne-4,7-diol|2,4,7,9-tetrametildec-5-ino-4,7-diol|5-Decino-4 ,7-diol, 2,4,7,9-tetrametil -|5- Decyne- 4, 7- diol, 2, 4, 7, 9- tetramethyl-|5,DECYNE-4,7-DIOL, 2,4,7,9-TETRAMETHYL-|Acetylenol E 00|DEC-5-YNE-4,7-DIOL, 2,4,7,9-TETRAMETHYL-|EINECS 204-809-1|NSC 5630|Olfine AK 02|Olfine PD 001|Olfine PD 301|Olfine STG-E|Surfadol 541|Surfynol 104|Surfynol 104A|Surfynol 104BC|Surfynol 104E|Surfynol 104H|Surfynol 104PA|Surfynol CT 111|Surfynol PG 50|Surfynol TG|Syrfynol 104|Zetasperse 1200|149079-55-0|166737-17-3|170006-53-8|171023-04-4|37211-43-1|504414-59-9|61879-19-4|8043-35-4|845642-79-7|867273-13-0|872345-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027041
ARPathway2016 ARPathway2016_139 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4 DTXSID7029241 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 21.9054629527487 uM CC(C)(C1=CC=CC=C1)C1=CC(=C(O)C=C1)C(C)(C)C1=CC=CC=C1 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4|2,4-Bis(1-methyl-1-phenylethyl)phenol|2,4-(a,a-Dimethylbenzyl)phenol|2,4-bis(1-fenil-1-metiletil)fenol|2,4-bis(1-Methyl-1-phenylethyl)phenol|2,4-Bis(2-phenylpropan-2-yl)phenol|2,4-Bis(a,a-dimethylbenzyl)phenol|2,4-Di(alpha-methylstyryl)phenol|2,4-Di(a-methylstyryl)phenol|2,4-Dicumylphenol|4,6-Bis(a,a-dimethylbenzyl)phenol|EINECS 220-466-0|Phenol, 2, 4- bis(1- methyl- 1- phenylethyl) -|Phenol, 2,4-bis(a,a-dimethylbenzyl)-|UNII-9U10Z6U3JP|106060-52-0|68957-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029241
ARPathway2016 ARPathway2016_139 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4 DTXSID7029241 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 22.7825493758569 uM CC(C)(C1=CC=CC=C1)C1=CC(=C(O)C=C1)C(C)(C)C1=CC=CC=C1 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4|2,4-Bis(1-methyl-1-phenylethyl)phenol|2,4-(a,a-Dimethylbenzyl)phenol|2,4-bis(1-fenil-1-metiletil)fenol|2,4-bis(1-Methyl-1-phenylethyl)phenol|2,4-Bis(2-phenylpropan-2-yl)phenol|2,4-Bis(a,a-dimethylbenzyl)phenol|2,4-Di(alpha-methylstyryl)phenol|2,4-Di(a-methylstyryl)phenol|2,4-Dicumylphenol|4,6-Bis(a,a-dimethylbenzyl)phenol|EINECS 220-466-0|Phenol, 2, 4- bis(1- methyl- 1- phenylethyl) -|Phenol, 2,4-bis(a,a-dimethylbenzyl)-|UNII-9U10Z6U3JP|106060-52-0|68957-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029241
ARPathway2016 ARPathway2016_139 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4 DTXSID7029241 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.164 Unitless CC(C)(C1=CC=CC=C1)C1=CC(=C(O)C=C1)C(C)(C)C1=CC=CC=C1 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4|2,4-Bis(1-methyl-1-phenylethyl)phenol|2,4-(a,a-Dimethylbenzyl)phenol|2,4-bis(1-fenil-1-metiletil)fenol|2,4-bis(1-Methyl-1-phenylethyl)phenol|2,4-Bis(2-phenylpropan-2-yl)phenol|2,4-Bis(a,a-dimethylbenzyl)phenol|2,4-Di(alpha-methylstyryl)phenol|2,4-Di(a-methylstyryl)phenol|2,4-Dicumylphenol|4,6-Bis(a,a-dimethylbenzyl)phenol|EINECS 220-466-0|Phenol, 2, 4- bis(1- methyl- 1- phenylethyl) -|Phenol, 2,4-bis(a,a-dimethylbenzyl)-|UNII-9U10Z6U3JP|106060-52-0|68957-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029241
ARPathway2016 ARPathway2016_139 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4 DTXSID7029241 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C1=CC=CC=C1)C1=CC(=C(O)C=C1)C(C)(C)C1=CC=CC=C1 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4|2,4-Bis(1-methyl-1-phenylethyl)phenol|2,4-(a,a-Dimethylbenzyl)phenol|2,4-bis(1-fenil-1-metiletil)fenol|2,4-bis(1-Methyl-1-phenylethyl)phenol|2,4-Bis(2-phenylpropan-2-yl)phenol|2,4-Bis(a,a-dimethylbenzyl)phenol|2,4-Di(alpha-methylstyryl)phenol|2,4-Di(a-methylstyryl)phenol|2,4-Dicumylphenol|4,6-Bis(a,a-dimethylbenzyl)phenol|EINECS 220-466-0|Phenol, 2, 4- bis(1- methyl- 1- phenylethyl) -|Phenol, 2,4-bis(a,a-dimethylbenzyl)-|UNII-9U10Z6U3JP|106060-52-0|68957-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029241
ARPathway2016 ARPathway2016_139 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4 DTXSID7029241 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)(C1=CC=CC=C1)C1=CC(=C(O)C=C1)C(C)(C)C1=CC=CC=C1 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4|2,4-Bis(1-methyl-1-phenylethyl)phenol|2,4-(a,a-Dimethylbenzyl)phenol|2,4-bis(1-fenil-1-metiletil)fenol|2,4-bis(1-Methyl-1-phenylethyl)phenol|2,4-Bis(2-phenylpropan-2-yl)phenol|2,4-Bis(a,a-dimethylbenzyl)phenol|2,4-Di(alpha-methylstyryl)phenol|2,4-Di(a-methylstyryl)phenol|2,4-Dicumylphenol|4,6-Bis(a,a-dimethylbenzyl)phenol|EINECS 220-466-0|Phenol, 2, 4- bis(1- methyl- 1- phenylethyl) -|Phenol, 2,4-bis(a,a-dimethylbenzyl)-|UNII-9U10Z6U3JP|106060-52-0|68957-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029241
ARPathway2016 ARPathway2016_139 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4 DTXSID7029241 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C1=CC=CC=C1)C1=CC(=C(O)C=C1)C(C)(C)C1=CC=CC=C1 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4|2,4-Bis(1-methyl-1-phenylethyl)phenol|2,4-(a,a-Dimethylbenzyl)phenol|2,4-bis(1-fenil-1-metiletil)fenol|2,4-bis(1-Methyl-1-phenylethyl)phenol|2,4-Bis(2-phenylpropan-2-yl)phenol|2,4-Bis(a,a-dimethylbenzyl)phenol|2,4-Di(alpha-methylstyryl)phenol|2,4-Di(a-methylstyryl)phenol|2,4-Dicumylphenol|4,6-Bis(a,a-dimethylbenzyl)phenol|EINECS 220-466-0|Phenol, 2, 4- bis(1- methyl- 1- phenylethyl) -|Phenol, 2,4-bis(a,a-dimethylbenzyl)-|UNII-9U10Z6U3JP|106060-52-0|68957-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029241
ERPathway2016 ERPathway2016_315 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4 DTXSID7029241 R6 ER Pathway Model, Antagonist AC50 4.79362775145871 uM CC(C)(C1=CC=CC=C1)C1=CC(=C(O)C=C1)C(C)(C)C1=CC=CC=C1 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4|2,4-Bis(1-methyl-1-phenylethyl)phenol|2,4-(a,a-Dimethylbenzyl)phenol|2,4-bis(1-fenil-1-metiletil)fenol|2,4-bis(1-Methyl-1-phenylethyl)phenol|2,4-Bis(2-phenylpropan-2-yl)phenol|2,4-Bis(a,a-dimethylbenzyl)phenol|2,4-Di(alpha-methylstyryl)phenol|2,4-Di(a-methylstyryl)phenol|2,4-Dicumylphenol|4,6-Bis(a,a-dimethylbenzyl)phenol|EINECS 220-466-0|Phenol, 2, 4- bis(1- methyl- 1- phenylethyl) -|Phenol, 2,4-bis(a,a-dimethylbenzyl)-|UNII-9U10Z6U3JP|106060-52-0|68957-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029241
ERPathway2016 ERPathway2016_315 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4 DTXSID7029241 R6 ER Pathway Model, Antagonist ACC 7.10611288951158 uM CC(C)(C1=CC=CC=C1)C1=CC(=C(O)C=C1)C(C)(C)C1=CC=CC=C1 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4|2,4-Bis(1-methyl-1-phenylethyl)phenol|2,4-(a,a-Dimethylbenzyl)phenol|2,4-bis(1-fenil-1-metiletil)fenol|2,4-bis(1-Methyl-1-phenylethyl)phenol|2,4-Bis(2-phenylpropan-2-yl)phenol|2,4-Bis(a,a-dimethylbenzyl)phenol|2,4-Di(alpha-methylstyryl)phenol|2,4-Di(a-methylstyryl)phenol|2,4-Dicumylphenol|4,6-Bis(a,a-dimethylbenzyl)phenol|EINECS 220-466-0|Phenol, 2, 4- bis(1- methyl- 1- phenylethyl) -|Phenol, 2,4-bis(a,a-dimethylbenzyl)-|UNII-9U10Z6U3JP|106060-52-0|68957-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029241
ERPathway2016 ERPathway2016_315 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4 DTXSID7029241 R6 ER Pathway Model, Agonist Model Score 0.0274 Unitless CC(C)(C1=CC=CC=C1)C1=CC(=C(O)C=C1)C(C)(C)C1=CC=CC=C1 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4|2,4-Bis(1-methyl-1-phenylethyl)phenol|2,4-(a,a-Dimethylbenzyl)phenol|2,4-bis(1-fenil-1-metiletil)fenol|2,4-bis(1-Methyl-1-phenylethyl)phenol|2,4-Bis(2-phenylpropan-2-yl)phenol|2,4-Bis(a,a-dimethylbenzyl)phenol|2,4-Di(alpha-methylstyryl)phenol|2,4-Di(a-methylstyryl)phenol|2,4-Dicumylphenol|4,6-Bis(a,a-dimethylbenzyl)phenol|EINECS 220-466-0|Phenol, 2, 4- bis(1- methyl- 1- phenylethyl) -|Phenol, 2,4-bis(a,a-dimethylbenzyl)-|UNII-9U10Z6U3JP|106060-52-0|68957-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029241
ERPathway2016 ERPathway2016_315 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4 DTXSID7029241 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C1=CC=CC=C1)C1=CC(=C(O)C=C1)C(C)(C)C1=CC=CC=C1 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4|2,4-Bis(1-methyl-1-phenylethyl)phenol|2,4-(a,a-Dimethylbenzyl)phenol|2,4-bis(1-fenil-1-metiletil)fenol|2,4-bis(1-Methyl-1-phenylethyl)phenol|2,4-Bis(2-phenylpropan-2-yl)phenol|2,4-Bis(a,a-dimethylbenzyl)phenol|2,4-Di(alpha-methylstyryl)phenol|2,4-Di(a-methylstyryl)phenol|2,4-Dicumylphenol|4,6-Bis(a,a-dimethylbenzyl)phenol|EINECS 220-466-0|Phenol, 2, 4- bis(1- methyl- 1- phenylethyl) -|Phenol, 2,4-bis(a,a-dimethylbenzyl)-|UNII-9U10Z6U3JP|106060-52-0|68957-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029241
ERPathway2016 ERPathway2016_315 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4 DTXSID7029241 R6 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C1=CC=CC=C1)C1=CC(=C(O)C=C1)C(C)(C)C1=CC=CC=C1 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4|2,4-Bis(1-methyl-1-phenylethyl)phenol|2,4-(a,a-Dimethylbenzyl)phenol|2,4-bis(1-fenil-1-metiletil)fenol|2,4-bis(1-Methyl-1-phenylethyl)phenol|2,4-Bis(2-phenylpropan-2-yl)phenol|2,4-Bis(a,a-dimethylbenzyl)phenol|2,4-Di(alpha-methylstyryl)phenol|2,4-Di(a-methylstyryl)phenol|2,4-Dicumylphenol|4,6-Bis(a,a-dimethylbenzyl)phenol|EINECS 220-466-0|Phenol, 2, 4- bis(1- methyl- 1- phenylethyl) -|Phenol, 2,4-bis(a,a-dimethylbenzyl)-|UNII-9U10Z6U3JP|106060-52-0|68957-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029241
ERPathway2016 ERPathway2016_315 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4 DTXSID7029241 R6 ER Pathway Model, Antagonist Call Active Unitless CC(C)(C1=CC=CC=C1)C1=CC(=C(O)C=C1)C(C)(C)C1=CC=CC=C1 2,4-Bis(1-methyl-1-phenylethyl)phenol 2772-45-4|2,4-Bis(1-methyl-1-phenylethyl)phenol|2,4-(a,a-Dimethylbenzyl)phenol|2,4-bis(1-fenil-1-metiletil)fenol|2,4-bis(1-Methyl-1-phenylethyl)phenol|2,4-Bis(2-phenylpropan-2-yl)phenol|2,4-Bis(a,a-dimethylbenzyl)phenol|2,4-Di(alpha-methylstyryl)phenol|2,4-Di(a-methylstyryl)phenol|2,4-Dicumylphenol|4,6-Bis(a,a-dimethylbenzyl)phenol|EINECS 220-466-0|Phenol, 2, 4- bis(1- methyl- 1- phenylethyl) -|Phenol, 2,4-bis(a,a-dimethylbenzyl)-|UNII-9U10Z6U3JP|106060-52-0|68957-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029241
ARPathway2016 ARPathway2016_821 2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine 139-40-2 DTXSID3021196 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)NC1=NC(NC(C)C)=NC(Cl)=N1 2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine 139-40-2|2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-bis(1-methylethyl)-|2-Chlor-4,6-bis(isopropylamino)-s-triazine|2-Chloro-4-isopropylamino-6-isopropylamino-s-triazine|2-Chloro-4,6-bis(isopropylamino)-1,3,5-triazine|2-Chloro-4,6-bis(isopropylamino)-s-triazine|2-Chloro-4,6-di(isopropylamino)-1,3,5-triazine|2,4-Bis(isopropylamino)-6-chloro-s-triazine|2,4-Bis(propylamino)-6-chlor-1,3,5-triazin|2,4-Bis[(1-methylethyl)amino]-6-chloro-s-triazine|6-chloro-N,N'-(1-methylethyl)-[1,3,5]triazine-2,4-diamine|6-Chloro-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine|6-Chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diamine|6-chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diyldiamine|6-Chloro-N2,N4-di-isopropyl-1,3,5-triazine-2,4-diamine|BRN 0747081|Caswell No. 184|EINECS 205-359-9|EPA Pesticide Chemical Code 080808|G30028|Geigy 30,028|Gesamil|Milo-pro|Milocep|Milogard|NSC 26002|Plantulin|Primatol P|Propasin|Propazin|propazina|Propazine|Prozinex|s-Bis(isopropylamino)chlorotria https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021196
ARPathway2016 ARPathway2016_821 2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine 139-40-2 DTXSID3021196 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)NC1=NC(NC(C)C)=NC(Cl)=N1 2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine 139-40-2|2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-bis(1-methylethyl)-|2-Chlor-4,6-bis(isopropylamino)-s-triazine|2-Chloro-4-isopropylamino-6-isopropylamino-s-triazine|2-Chloro-4,6-bis(isopropylamino)-1,3,5-triazine|2-Chloro-4,6-bis(isopropylamino)-s-triazine|2-Chloro-4,6-di(isopropylamino)-1,3,5-triazine|2,4-Bis(isopropylamino)-6-chloro-s-triazine|2,4-Bis(propylamino)-6-chlor-1,3,5-triazin|2,4-Bis[(1-methylethyl)amino]-6-chloro-s-triazine|6-chloro-N,N'-(1-methylethyl)-[1,3,5]triazine-2,4-diamine|6-Chloro-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine|6-Chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diamine|6-chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diyldiamine|6-Chloro-N2,N4-di-isopropyl-1,3,5-triazine-2,4-diamine|BRN 0747081|Caswell No. 184|EINECS 205-359-9|EPA Pesticide Chemical Code 080808|G30028|Geigy 30,028|Gesamil|Milo-pro|Milocep|Milogard|NSC 26002|Plantulin|Primatol P|Propasin|Propazin|propazina|Propazine|Prozinex|s-Bis(isopropylamino)chlorotria https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021196
ARPathway2016 ARPathway2016_821 2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine 139-40-2 DTXSID3021196 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)NC1=NC(NC(C)C)=NC(Cl)=N1 2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine 139-40-2|2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-bis(1-methylethyl)-|2-Chlor-4,6-bis(isopropylamino)-s-triazine|2-Chloro-4-isopropylamino-6-isopropylamino-s-triazine|2-Chloro-4,6-bis(isopropylamino)-1,3,5-triazine|2-Chloro-4,6-bis(isopropylamino)-s-triazine|2-Chloro-4,6-di(isopropylamino)-1,3,5-triazine|2,4-Bis(isopropylamino)-6-chloro-s-triazine|2,4-Bis(propylamino)-6-chlor-1,3,5-triazin|2,4-Bis[(1-methylethyl)amino]-6-chloro-s-triazine|6-chloro-N,N'-(1-methylethyl)-[1,3,5]triazine-2,4-diamine|6-Chloro-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine|6-Chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diamine|6-chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diyldiamine|6-Chloro-N2,N4-di-isopropyl-1,3,5-triazine-2,4-diamine|BRN 0747081|Caswell No. 184|EINECS 205-359-9|EPA Pesticide Chemical Code 080808|G30028|Geigy 30,028|Gesamil|Milo-pro|Milocep|Milogard|NSC 26002|Plantulin|Primatol P|Propasin|Propazin|propazina|Propazine|Prozinex|s-Bis(isopropylamino)chlorotria https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021196
ARPathway2016 ARPathway2016_821 2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine 139-40-2 DTXSID3021196 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)NC1=NC(NC(C)C)=NC(Cl)=N1 2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine 139-40-2|2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-bis(1-methylethyl)-|2-Chlor-4,6-bis(isopropylamino)-s-triazine|2-Chloro-4-isopropylamino-6-isopropylamino-s-triazine|2-Chloro-4,6-bis(isopropylamino)-1,3,5-triazine|2-Chloro-4,6-bis(isopropylamino)-s-triazine|2-Chloro-4,6-di(isopropylamino)-1,3,5-triazine|2,4-Bis(isopropylamino)-6-chloro-s-triazine|2,4-Bis(propylamino)-6-chlor-1,3,5-triazin|2,4-Bis[(1-methylethyl)amino]-6-chloro-s-triazine|6-chloro-N,N'-(1-methylethyl)-[1,3,5]triazine-2,4-diamine|6-Chloro-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine|6-Chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diamine|6-chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diyldiamine|6-Chloro-N2,N4-di-isopropyl-1,3,5-triazine-2,4-diamine|BRN 0747081|Caswell No. 184|EINECS 205-359-9|EPA Pesticide Chemical Code 080808|G30028|Geigy 30,028|Gesamil|Milo-pro|Milocep|Milogard|NSC 26002|Plantulin|Primatol P|Propasin|Propazin|propazina|Propazine|Prozinex|s-Bis(isopropylamino)chlorotria https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021196
ERPathway2016 ERPathway2016_1292 2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine 139-40-2 DTXSID3021196 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)NC1=NC(NC(C)C)=NC(Cl)=N1 2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine 139-40-2|2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-bis(1-methylethyl)-|2-Chlor-4,6-bis(isopropylamino)-s-triazine|2-Chloro-4-isopropylamino-6-isopropylamino-s-triazine|2-Chloro-4,6-bis(isopropylamino)-1,3,5-triazine|2-Chloro-4,6-bis(isopropylamino)-s-triazine|2-Chloro-4,6-di(isopropylamino)-1,3,5-triazine|2,4-Bis(isopropylamino)-6-chloro-s-triazine|2,4-Bis(propylamino)-6-chlor-1,3,5-triazin|2,4-Bis[(1-methylethyl)amino]-6-chloro-s-triazine|6-chloro-N,N'-(1-methylethyl)-[1,3,5]triazine-2,4-diamine|6-Chloro-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine|6-Chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diamine|6-chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diyldiamine|6-Chloro-N2,N4-di-isopropyl-1,3,5-triazine-2,4-diamine|BRN 0747081|Caswell No. 184|EINECS 205-359-9|EPA Pesticide Chemical Code 080808|G30028|Geigy 30,028|Gesamil|Milo-pro|Milocep|Milogard|NSC 26002|Plantulin|Primatol P|Propasin|Propazin|propazina|Propazine|Prozinex|s-Bis(isopropylamino)chlorotria https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021196
ERPathway2016 ERPathway2016_1292 2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine 139-40-2 DTXSID3021196 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)NC1=NC(NC(C)C)=NC(Cl)=N1 2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine 139-40-2|2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-bis(1-methylethyl)-|2-Chlor-4,6-bis(isopropylamino)-s-triazine|2-Chloro-4-isopropylamino-6-isopropylamino-s-triazine|2-Chloro-4,6-bis(isopropylamino)-1,3,5-triazine|2-Chloro-4,6-bis(isopropylamino)-s-triazine|2-Chloro-4,6-di(isopropylamino)-1,3,5-triazine|2,4-Bis(isopropylamino)-6-chloro-s-triazine|2,4-Bis(propylamino)-6-chlor-1,3,5-triazin|2,4-Bis[(1-methylethyl)amino]-6-chloro-s-triazine|6-chloro-N,N'-(1-methylethyl)-[1,3,5]triazine-2,4-diamine|6-Chloro-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine|6-Chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diamine|6-chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diyldiamine|6-Chloro-N2,N4-di-isopropyl-1,3,5-triazine-2,4-diamine|BRN 0747081|Caswell No. 184|EINECS 205-359-9|EPA Pesticide Chemical Code 080808|G30028|Geigy 30,028|Gesamil|Milo-pro|Milocep|Milogard|NSC 26002|Plantulin|Primatol P|Propasin|Propazin|propazina|Propazine|Prozinex|s-Bis(isopropylamino)chlorotria https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021196
ERPathway2016 ERPathway2016_1292 2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine 139-40-2 DTXSID3021196 ER Pathway Model, Agonist Call Inactive Unitless CC(C)NC1=NC(NC(C)C)=NC(Cl)=N1 2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine 139-40-2|2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-bis(1-methylethyl)-|2-Chlor-4,6-bis(isopropylamino)-s-triazine|2-Chloro-4-isopropylamino-6-isopropylamino-s-triazine|2-Chloro-4,6-bis(isopropylamino)-1,3,5-triazine|2-Chloro-4,6-bis(isopropylamino)-s-triazine|2-Chloro-4,6-di(isopropylamino)-1,3,5-triazine|2,4-Bis(isopropylamino)-6-chloro-s-triazine|2,4-Bis(propylamino)-6-chlor-1,3,5-triazin|2,4-Bis[(1-methylethyl)amino]-6-chloro-s-triazine|6-chloro-N,N'-(1-methylethyl)-[1,3,5]triazine-2,4-diamine|6-Chloro-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine|6-Chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diamine|6-chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diyldiamine|6-Chloro-N2,N4-di-isopropyl-1,3,5-triazine-2,4-diamine|BRN 0747081|Caswell No. 184|EINECS 205-359-9|EPA Pesticide Chemical Code 080808|G30028|Geigy 30,028|Gesamil|Milo-pro|Milocep|Milogard|NSC 26002|Plantulin|Primatol P|Propasin|Propazin|propazina|Propazine|Prozinex|s-Bis(isopropylamino)chlorotria https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021196
ERPathway2016 ERPathway2016_1292 2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine 139-40-2 DTXSID3021196 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)NC1=NC(NC(C)C)=NC(Cl)=N1 2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine 139-40-2|2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-bis(1-methylethyl)-|2-Chlor-4,6-bis(isopropylamino)-s-triazine|2-Chloro-4-isopropylamino-6-isopropylamino-s-triazine|2-Chloro-4,6-bis(isopropylamino)-1,3,5-triazine|2-Chloro-4,6-bis(isopropylamino)-s-triazine|2-Chloro-4,6-di(isopropylamino)-1,3,5-triazine|2,4-Bis(isopropylamino)-6-chloro-s-triazine|2,4-Bis(propylamino)-6-chlor-1,3,5-triazin|2,4-Bis[(1-methylethyl)amino]-6-chloro-s-triazine|6-chloro-N,N'-(1-methylethyl)-[1,3,5]triazine-2,4-diamine|6-Chloro-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine|6-Chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diamine|6-chloro-N,N'-diisopropyl-1,3,5-triazine-2,4-diyldiamine|6-Chloro-N2,N4-di-isopropyl-1,3,5-triazine-2,4-diamine|BRN 0747081|Caswell No. 184|EINECS 205-359-9|EPA Pesticide Chemical Code 080808|G30028|Geigy 30,028|Gesamil|Milo-pro|Milocep|Milogard|NSC 26002|Plantulin|Primatol P|Propasin|Propazin|propazina|Propazine|Prozinex|s-Bis(isopropylamino)chlorotria https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021196
ARPathway2016 ARPathway2016_1748 2,4-D Butyl ester 94-80-4 DTXSID5020443 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D Butyl ester 94-80-4|2,4-D Butyl ester|(2,4-Dichlorophenoxy)acetic acid, butyl ester|2,4-D-butyl|2,4-Dichlorophenoxyacetic acid n-butyl ester|2,4-Dichlorophenoxyacetic acid, n-butyl ester|Abco W.K-67 2,4-D Weed Killer|Amoco 2,4-D Weed Killer No. 6B|Associated Sales 4-Pound 2,4-D Ester Weed Killer|Barber's 2,4-D Ester Weed Killer|BRN 2056085|Butapon|Butyl (2,4-dichlorophenoxy)acetate|Butyl 2,4-D|Butyl ester 2,4-D|Butyl ester of 2,4-D|Caswell No. 315AL|Chipman 2,4-D Butyl Ester 334E|Chipman 2,4-D Butyl Ester 4E|Chipman 2,4-D Butyl Ester 6E|Component Orange|Crop Rider 2.67D|De-Pester Ded-Weed ME-4|De-Pester Ded-Weed ME-5|De-Pester Ded-Weed ME-6|De-Pester Ded-Weed ME-9|Diamond Shamrock Butyl 4D|Diamond Shamrock Butyl 6D Weed Killer|EINECS 202-364-8|EPA Pesticide Chemical Code 030056|Esso herbicide 10|Felco Butyl Ester 600 2,4-D Weed Killer|Felco HV2 Weed Killer|Felco HV4 Weed Killer|Floratox 428 4-Pound 2,4-D Ester Weed Killer|FS Ester 400 Weed Killer|General Chemical 2,4-D 3.34 Butyl Ester Weed Killer|General Chemical 2,4-D 4-Butyl Ester Weed Killer| https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020443 https://doi.org/10.22427/NTP-DATA-DTXSID5020443
ARPathway2016 ARPathway2016_1748 2,4-D Butyl ester 94-80-4 DTXSID5020443 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D Butyl ester 94-80-4|2,4-D Butyl ester|(2,4-Dichlorophenoxy)acetic acid, butyl ester|2,4-D-butyl|2,4-Dichlorophenoxyacetic acid n-butyl ester|2,4-Dichlorophenoxyacetic acid, n-butyl ester|Abco W.K-67 2,4-D Weed Killer|Amoco 2,4-D Weed Killer No. 6B|Associated Sales 4-Pound 2,4-D Ester Weed Killer|Barber's 2,4-D Ester Weed Killer|BRN 2056085|Butapon|Butyl (2,4-dichlorophenoxy)acetate|Butyl 2,4-D|Butyl ester 2,4-D|Butyl ester of 2,4-D|Caswell No. 315AL|Chipman 2,4-D Butyl Ester 334E|Chipman 2,4-D Butyl Ester 4E|Chipman 2,4-D Butyl Ester 6E|Component Orange|Crop Rider 2.67D|De-Pester Ded-Weed ME-4|De-Pester Ded-Weed ME-5|De-Pester Ded-Weed ME-6|De-Pester Ded-Weed ME-9|Diamond Shamrock Butyl 4D|Diamond Shamrock Butyl 6D Weed Killer|EINECS 202-364-8|EPA Pesticide Chemical Code 030056|Esso herbicide 10|Felco Butyl Ester 600 2,4-D Weed Killer|Felco HV2 Weed Killer|Felco HV4 Weed Killer|Floratox 428 4-Pound 2,4-D Ester Weed Killer|FS Ester 400 Weed Killer|General Chemical 2,4-D 3.34 Butyl Ester Weed Killer|General Chemical 2,4-D 4-Butyl Ester Weed Killer| https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020443 https://doi.org/10.22427/NTP-DATA-DTXSID5020443
ARPathway2016 ARPathway2016_1748 2,4-D Butyl ester 94-80-4 DTXSID5020443 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D Butyl ester 94-80-4|2,4-D Butyl ester|(2,4-Dichlorophenoxy)acetic acid, butyl ester|2,4-D-butyl|2,4-Dichlorophenoxyacetic acid n-butyl ester|2,4-Dichlorophenoxyacetic acid, n-butyl ester|Abco W.K-67 2,4-D Weed Killer|Amoco 2,4-D Weed Killer No. 6B|Associated Sales 4-Pound 2,4-D Ester Weed Killer|Barber's 2,4-D Ester Weed Killer|BRN 2056085|Butapon|Butyl (2,4-dichlorophenoxy)acetate|Butyl 2,4-D|Butyl ester 2,4-D|Butyl ester of 2,4-D|Caswell No. 315AL|Chipman 2,4-D Butyl Ester 334E|Chipman 2,4-D Butyl Ester 4E|Chipman 2,4-D Butyl Ester 6E|Component Orange|Crop Rider 2.67D|De-Pester Ded-Weed ME-4|De-Pester Ded-Weed ME-5|De-Pester Ded-Weed ME-6|De-Pester Ded-Weed ME-9|Diamond Shamrock Butyl 4D|Diamond Shamrock Butyl 6D Weed Killer|EINECS 202-364-8|EPA Pesticide Chemical Code 030056|Esso herbicide 10|Felco Butyl Ester 600 2,4-D Weed Killer|Felco HV2 Weed Killer|Felco HV4 Weed Killer|Floratox 428 4-Pound 2,4-D Ester Weed Killer|FS Ester 400 Weed Killer|General Chemical 2,4-D 3.34 Butyl Ester Weed Killer|General Chemical 2,4-D 4-Butyl Ester Weed Killer| https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020443 https://doi.org/10.22427/NTP-DATA-DTXSID5020443
ARPathway2016 ARPathway2016_1748 2,4-D Butyl ester 94-80-4 DTXSID5020443 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D Butyl ester 94-80-4|2,4-D Butyl ester|(2,4-Dichlorophenoxy)acetic acid, butyl ester|2,4-D-butyl|2,4-Dichlorophenoxyacetic acid n-butyl ester|2,4-Dichlorophenoxyacetic acid, n-butyl ester|Abco W.K-67 2,4-D Weed Killer|Amoco 2,4-D Weed Killer No. 6B|Associated Sales 4-Pound 2,4-D Ester Weed Killer|Barber's 2,4-D Ester Weed Killer|BRN 2056085|Butapon|Butyl (2,4-dichlorophenoxy)acetate|Butyl 2,4-D|Butyl ester 2,4-D|Butyl ester of 2,4-D|Caswell No. 315AL|Chipman 2,4-D Butyl Ester 334E|Chipman 2,4-D Butyl Ester 4E|Chipman 2,4-D Butyl Ester 6E|Component Orange|Crop Rider 2.67D|De-Pester Ded-Weed ME-4|De-Pester Ded-Weed ME-5|De-Pester Ded-Weed ME-6|De-Pester Ded-Weed ME-9|Diamond Shamrock Butyl 4D|Diamond Shamrock Butyl 6D Weed Killer|EINECS 202-364-8|EPA Pesticide Chemical Code 030056|Esso herbicide 10|Felco Butyl Ester 600 2,4-D Weed Killer|Felco HV2 Weed Killer|Felco HV4 Weed Killer|Floratox 428 4-Pound 2,4-D Ester Weed Killer|FS Ester 400 Weed Killer|General Chemical 2,4-D 3.34 Butyl Ester Weed Killer|General Chemical 2,4-D 4-Butyl Ester Weed Killer| https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020443 https://doi.org/10.22427/NTP-DATA-DTXSID5020443
ERPathway2016 ERPathway2016_844 2,4-D Butyl ester 94-80-4 DTXSID5020443 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D Butyl ester 94-80-4|2,4-D Butyl ester|(2,4-Dichlorophenoxy)acetic acid, butyl ester|2,4-D-butyl|2,4-Dichlorophenoxyacetic acid n-butyl ester|2,4-Dichlorophenoxyacetic acid, n-butyl ester|Abco W.K-67 2,4-D Weed Killer|Amoco 2,4-D Weed Killer No. 6B|Associated Sales 4-Pound 2,4-D Ester Weed Killer|Barber's 2,4-D Ester Weed Killer|BRN 2056085|Butapon|Butyl (2,4-dichlorophenoxy)acetate|Butyl 2,4-D|Butyl ester 2,4-D|Butyl ester of 2,4-D|Caswell No. 315AL|Chipman 2,4-D Butyl Ester 334E|Chipman 2,4-D Butyl Ester 4E|Chipman 2,4-D Butyl Ester 6E|Component Orange|Crop Rider 2.67D|De-Pester Ded-Weed ME-4|De-Pester Ded-Weed ME-5|De-Pester Ded-Weed ME-6|De-Pester Ded-Weed ME-9|Diamond Shamrock Butyl 4D|Diamond Shamrock Butyl 6D Weed Killer|EINECS 202-364-8|EPA Pesticide Chemical Code 030056|Esso herbicide 10|Felco Butyl Ester 600 2,4-D Weed Killer|Felco HV2 Weed Killer|Felco HV4 Weed Killer|Floratox 428 4-Pound 2,4-D Ester Weed Killer|FS Ester 400 Weed Killer|General Chemical 2,4-D 3.34 Butyl Ester Weed Killer|General Chemical 2,4-D 4-Butyl Ester Weed Killer| https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020443 https://doi.org/10.22427/NTP-DATA-DTXSID5020443
ERPathway2016 ERPathway2016_844 2,4-D Butyl ester 94-80-4 DTXSID5020443 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D Butyl ester 94-80-4|2,4-D Butyl ester|(2,4-Dichlorophenoxy)acetic acid, butyl ester|2,4-D-butyl|2,4-Dichlorophenoxyacetic acid n-butyl ester|2,4-Dichlorophenoxyacetic acid, n-butyl ester|Abco W.K-67 2,4-D Weed Killer|Amoco 2,4-D Weed Killer No. 6B|Associated Sales 4-Pound 2,4-D Ester Weed Killer|Barber's 2,4-D Ester Weed Killer|BRN 2056085|Butapon|Butyl (2,4-dichlorophenoxy)acetate|Butyl 2,4-D|Butyl ester 2,4-D|Butyl ester of 2,4-D|Caswell No. 315AL|Chipman 2,4-D Butyl Ester 334E|Chipman 2,4-D Butyl Ester 4E|Chipman 2,4-D Butyl Ester 6E|Component Orange|Crop Rider 2.67D|De-Pester Ded-Weed ME-4|De-Pester Ded-Weed ME-5|De-Pester Ded-Weed ME-6|De-Pester Ded-Weed ME-9|Diamond Shamrock Butyl 4D|Diamond Shamrock Butyl 6D Weed Killer|EINECS 202-364-8|EPA Pesticide Chemical Code 030056|Esso herbicide 10|Felco Butyl Ester 600 2,4-D Weed Killer|Felco HV2 Weed Killer|Felco HV4 Weed Killer|Floratox 428 4-Pound 2,4-D Ester Weed Killer|FS Ester 400 Weed Killer|General Chemical 2,4-D 3.34 Butyl Ester Weed Killer|General Chemical 2,4-D 4-Butyl Ester Weed Killer| https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020443 https://doi.org/10.22427/NTP-DATA-DTXSID5020443
ERPathway2016 ERPathway2016_844 2,4-D Butyl ester 94-80-4 DTXSID5020443 ER Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D Butyl ester 94-80-4|2,4-D Butyl ester|(2,4-Dichlorophenoxy)acetic acid, butyl ester|2,4-D-butyl|2,4-Dichlorophenoxyacetic acid n-butyl ester|2,4-Dichlorophenoxyacetic acid, n-butyl ester|Abco W.K-67 2,4-D Weed Killer|Amoco 2,4-D Weed Killer No. 6B|Associated Sales 4-Pound 2,4-D Ester Weed Killer|Barber's 2,4-D Ester Weed Killer|BRN 2056085|Butapon|Butyl (2,4-dichlorophenoxy)acetate|Butyl 2,4-D|Butyl ester 2,4-D|Butyl ester of 2,4-D|Caswell No. 315AL|Chipman 2,4-D Butyl Ester 334E|Chipman 2,4-D Butyl Ester 4E|Chipman 2,4-D Butyl Ester 6E|Component Orange|Crop Rider 2.67D|De-Pester Ded-Weed ME-4|De-Pester Ded-Weed ME-5|De-Pester Ded-Weed ME-6|De-Pester Ded-Weed ME-9|Diamond Shamrock Butyl 4D|Diamond Shamrock Butyl 6D Weed Killer|EINECS 202-364-8|EPA Pesticide Chemical Code 030056|Esso herbicide 10|Felco Butyl Ester 600 2,4-D Weed Killer|Felco HV2 Weed Killer|Felco HV4 Weed Killer|Floratox 428 4-Pound 2,4-D Ester Weed Killer|FS Ester 400 Weed Killer|General Chemical 2,4-D 3.34 Butyl Ester Weed Killer|General Chemical 2,4-D 4-Butyl Ester Weed Killer| https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020443 https://doi.org/10.22427/NTP-DATA-DTXSID5020443
ERPathway2016 ERPathway2016_844 2,4-D Butyl ester 94-80-4 DTXSID5020443 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D Butyl ester 94-80-4|2,4-D Butyl ester|(2,4-Dichlorophenoxy)acetic acid, butyl ester|2,4-D-butyl|2,4-Dichlorophenoxyacetic acid n-butyl ester|2,4-Dichlorophenoxyacetic acid, n-butyl ester|Abco W.K-67 2,4-D Weed Killer|Amoco 2,4-D Weed Killer No. 6B|Associated Sales 4-Pound 2,4-D Ester Weed Killer|Barber's 2,4-D Ester Weed Killer|BRN 2056085|Butapon|Butyl (2,4-dichlorophenoxy)acetate|Butyl 2,4-D|Butyl ester 2,4-D|Butyl ester of 2,4-D|Caswell No. 315AL|Chipman 2,4-D Butyl Ester 334E|Chipman 2,4-D Butyl Ester 4E|Chipman 2,4-D Butyl Ester 6E|Component Orange|Crop Rider 2.67D|De-Pester Ded-Weed ME-4|De-Pester Ded-Weed ME-5|De-Pester Ded-Weed ME-6|De-Pester Ded-Weed ME-9|Diamond Shamrock Butyl 4D|Diamond Shamrock Butyl 6D Weed Killer|EINECS 202-364-8|EPA Pesticide Chemical Code 030056|Esso herbicide 10|Felco Butyl Ester 600 2,4-D Weed Killer|Felco HV2 Weed Killer|Felco HV4 Weed Killer|Floratox 428 4-Pound 2,4-D Ester Weed Killer|FS Ester 400 Weed Killer|General Chemical 2,4-D 3.34 Butyl Ester Weed Killer|General Chemical 2,4-D 4-Butyl Ester Weed Killer| https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020443 https://doi.org/10.22427/NTP-DATA-DTXSID5020443
ARPathway2016 ARPathway2016_1085 2,4-D sodium salt 2702-72-9 DTXSID4027496 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D sodium salt 2702-72-9|2,4-D sodium salt|2,4-D-sodium|2,4-Dichlorophenoxyacetic acid, sodium salt|Acetic acid, 2-(2,4-dichlorophenoxy)-, sodium salt (1:1)|Caswell No. 315D|Diconirt|Diconirt D|Dikonirt|Dikonirt D|EINECS 220-290-4|EPA Pesticide Chemical Code 030004|Fernoxene|Fernoxone|Pielik E|Pielika|Sodium (2,4-dichlorophenoxy)acetate|Sodium 2,4-D|Sodium diclordon|Spray-hormite|Spritz-hormit|U-46-D-Fluid|UNII-2H005922RS|37353-58-5|58318-52-8|67924-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027496
ARPathway2016 ARPathway2016_1085 2,4-D sodium salt 2702-72-9 DTXSID4027496 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D sodium salt 2702-72-9|2,4-D sodium salt|2,4-D-sodium|2,4-Dichlorophenoxyacetic acid, sodium salt|Acetic acid, 2-(2,4-dichlorophenoxy)-, sodium salt (1:1)|Caswell No. 315D|Diconirt|Diconirt D|Dikonirt|Dikonirt D|EINECS 220-290-4|EPA Pesticide Chemical Code 030004|Fernoxene|Fernoxone|Pielik E|Pielika|Sodium (2,4-dichlorophenoxy)acetate|Sodium 2,4-D|Sodium diclordon|Spray-hormite|Spritz-hormit|U-46-D-Fluid|UNII-2H005922RS|37353-58-5|58318-52-8|67924-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027496
ARPathway2016 ARPathway2016_1085 2,4-D sodium salt 2702-72-9 DTXSID4027496 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D sodium salt 2702-72-9|2,4-D sodium salt|2,4-D-sodium|2,4-Dichlorophenoxyacetic acid, sodium salt|Acetic acid, 2-(2,4-dichlorophenoxy)-, sodium salt (1:1)|Caswell No. 315D|Diconirt|Diconirt D|Dikonirt|Dikonirt D|EINECS 220-290-4|EPA Pesticide Chemical Code 030004|Fernoxene|Fernoxone|Pielik E|Pielika|Sodium (2,4-dichlorophenoxy)acetate|Sodium 2,4-D|Sodium diclordon|Spray-hormite|Spritz-hormit|U-46-D-Fluid|UNII-2H005922RS|37353-58-5|58318-52-8|67924-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027496
ARPathway2016 ARPathway2016_1085 2,4-D sodium salt 2702-72-9 DTXSID4027496 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D sodium salt 2702-72-9|2,4-D sodium salt|2,4-D-sodium|2,4-Dichlorophenoxyacetic acid, sodium salt|Acetic acid, 2-(2,4-dichlorophenoxy)-, sodium salt (1:1)|Caswell No. 315D|Diconirt|Diconirt D|Dikonirt|Dikonirt D|EINECS 220-290-4|EPA Pesticide Chemical Code 030004|Fernoxene|Fernoxone|Pielik E|Pielika|Sodium (2,4-dichlorophenoxy)acetate|Sodium 2,4-D|Sodium diclordon|Spray-hormite|Spritz-hormit|U-46-D-Fluid|UNII-2H005922RS|37353-58-5|58318-52-8|67924-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027496
ERPathway2016 ERPathway2016_923 2,4-D sodium salt 2702-72-9 DTXSID4027496 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D sodium salt 2702-72-9|2,4-D sodium salt|2,4-D-sodium|2,4-Dichlorophenoxyacetic acid, sodium salt|Acetic acid, 2-(2,4-dichlorophenoxy)-, sodium salt (1:1)|Caswell No. 315D|Diconirt|Diconirt D|Dikonirt|Dikonirt D|EINECS 220-290-4|EPA Pesticide Chemical Code 030004|Fernoxene|Fernoxone|Pielik E|Pielika|Sodium (2,4-dichlorophenoxy)acetate|Sodium 2,4-D|Sodium diclordon|Spray-hormite|Spritz-hormit|U-46-D-Fluid|UNII-2H005922RS|37353-58-5|58318-52-8|67924-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027496
ERPathway2016 ERPathway2016_923 2,4-D sodium salt 2702-72-9 DTXSID4027496 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D sodium salt 2702-72-9|2,4-D sodium salt|2,4-D-sodium|2,4-Dichlorophenoxyacetic acid, sodium salt|Acetic acid, 2-(2,4-dichlorophenoxy)-, sodium salt (1:1)|Caswell No. 315D|Diconirt|Diconirt D|Dikonirt|Dikonirt D|EINECS 220-290-4|EPA Pesticide Chemical Code 030004|Fernoxene|Fernoxone|Pielik E|Pielika|Sodium (2,4-dichlorophenoxy)acetate|Sodium 2,4-D|Sodium diclordon|Spray-hormite|Spritz-hormit|U-46-D-Fluid|UNII-2H005922RS|37353-58-5|58318-52-8|67924-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027496
ERPathway2016 ERPathway2016_923 2,4-D sodium salt 2702-72-9 DTXSID4027496 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D sodium salt 2702-72-9|2,4-D sodium salt|2,4-D-sodium|2,4-Dichlorophenoxyacetic acid, sodium salt|Acetic acid, 2-(2,4-dichlorophenoxy)-, sodium salt (1:1)|Caswell No. 315D|Diconirt|Diconirt D|Dikonirt|Dikonirt D|EINECS 220-290-4|EPA Pesticide Chemical Code 030004|Fernoxene|Fernoxone|Pielik E|Pielika|Sodium (2,4-dichlorophenoxy)acetate|Sodium 2,4-D|Sodium diclordon|Spray-hormite|Spritz-hormit|U-46-D-Fluid|UNII-2H005922RS|37353-58-5|58318-52-8|67924-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027496
ERPathway2016 ERPathway2016_923 2,4-D sodium salt 2702-72-9 DTXSID4027496 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D sodium salt 2702-72-9|2,4-D sodium salt|2,4-D-sodium|2,4-Dichlorophenoxyacetic acid, sodium salt|Acetic acid, 2-(2,4-dichlorophenoxy)-, sodium salt (1:1)|Caswell No. 315D|Diconirt|Diconirt D|Dikonirt|Dikonirt D|EINECS 220-290-4|EPA Pesticide Chemical Code 030004|Fernoxene|Fernoxone|Pielik E|Pielika|Sodium (2,4-dichlorophenoxy)acetate|Sodium 2,4-D|Sodium diclordon|Spray-hormite|Spritz-hormit|U-46-D-Fluid|UNII-2H005922RS|37353-58-5|58318-52-8|67924-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027496
ARPathway2016 ARPathway2016_963 2,4-D-Butotyl 1929-73-3 DTXSID1032309 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D-Butotyl 1929-73-3|2,4-D-Butotyl|(2,4-Dichlorophenoxy)acetic acid butoxyethyl ester|2-butoxyethyl 2,4-dichlorophenoxyacetate|2-Butoxyethyl-2,4-dichlorphenoxyacetat|2,4-D 2-Butoxyethyl ester|2,4-D butoxyethanol|2,4-D butoxyethanol ester|2,4-D butoxyethyl ester|2,4-D-(2-BUTOXYAETHYL)-ESTER|2,4-D-(2-Butoxyethyl)|2,4-dichlorophenoxyacetate de 2-butoxyethyle|2,4-Dichlorophenoxyacetic acid 2-Butoxyethyl ester|2,4-Dichlorophenoxyacetic acid butoxyethanol ester|2,4-Dichlorophenoxyacetic acid butoxyethyl ester|2,4-Dichlorophenoxyacetic acid ethylene glycol butyl ether ester|2,4-diclorofenoxiacetato de 2-butoxietilo|4-06-00-00911|Acetic acid, (2,4-dichlorophenoxy)-, 2-butoxyethyl ester|Acetic acid, 2-(2,4-dichlorophenoxy)-, 2-butoxyethyl ester|Aqua-Kleen|Bladex B|Bladex-B|BRN 1996617|Brush Killer 64|Butoxyethanol ester of (2,4-dichlorophenoxy)acetic acid|Butoxyethanol ester of 2,4-D|Butoxyethyl (2,4-dichlorophenoxy)acetate|Butoxyethyl 2,4-dichlorophenoxyacetate|Caswell No. 315AI|EINECS 217-680-1|EPA Pesticide Chemical Code 030053|Lo-Estasol|Planotox|U https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032309
ARPathway2016 ARPathway2016_963 2,4-D-Butotyl 1929-73-3 DTXSID1032309 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D-Butotyl 1929-73-3|2,4-D-Butotyl|(2,4-Dichlorophenoxy)acetic acid butoxyethyl ester|2-butoxyethyl 2,4-dichlorophenoxyacetate|2-Butoxyethyl-2,4-dichlorphenoxyacetat|2,4-D 2-Butoxyethyl ester|2,4-D butoxyethanol|2,4-D butoxyethanol ester|2,4-D butoxyethyl ester|2,4-D-(2-BUTOXYAETHYL)-ESTER|2,4-D-(2-Butoxyethyl)|2,4-dichlorophenoxyacetate de 2-butoxyethyle|2,4-Dichlorophenoxyacetic acid 2-Butoxyethyl ester|2,4-Dichlorophenoxyacetic acid butoxyethanol ester|2,4-Dichlorophenoxyacetic acid butoxyethyl ester|2,4-Dichlorophenoxyacetic acid ethylene glycol butyl ether ester|2,4-diclorofenoxiacetato de 2-butoxietilo|4-06-00-00911|Acetic acid, (2,4-dichlorophenoxy)-, 2-butoxyethyl ester|Acetic acid, 2-(2,4-dichlorophenoxy)-, 2-butoxyethyl ester|Aqua-Kleen|Bladex B|Bladex-B|BRN 1996617|Brush Killer 64|Butoxyethanol ester of (2,4-dichlorophenoxy)acetic acid|Butoxyethanol ester of 2,4-D|Butoxyethyl (2,4-dichlorophenoxy)acetate|Butoxyethyl 2,4-dichlorophenoxyacetate|Caswell No. 315AI|EINECS 217-680-1|EPA Pesticide Chemical Code 030053|Lo-Estasol|Planotox|U https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032309
ARPathway2016 ARPathway2016_963 2,4-D-Butotyl 1929-73-3 DTXSID1032309 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D-Butotyl 1929-73-3|2,4-D-Butotyl|(2,4-Dichlorophenoxy)acetic acid butoxyethyl ester|2-butoxyethyl 2,4-dichlorophenoxyacetate|2-Butoxyethyl-2,4-dichlorphenoxyacetat|2,4-D 2-Butoxyethyl ester|2,4-D butoxyethanol|2,4-D butoxyethanol ester|2,4-D butoxyethyl ester|2,4-D-(2-BUTOXYAETHYL)-ESTER|2,4-D-(2-Butoxyethyl)|2,4-dichlorophenoxyacetate de 2-butoxyethyle|2,4-Dichlorophenoxyacetic acid 2-Butoxyethyl ester|2,4-Dichlorophenoxyacetic acid butoxyethanol ester|2,4-Dichlorophenoxyacetic acid butoxyethyl ester|2,4-Dichlorophenoxyacetic acid ethylene glycol butyl ether ester|2,4-diclorofenoxiacetato de 2-butoxietilo|4-06-00-00911|Acetic acid, (2,4-dichlorophenoxy)-, 2-butoxyethyl ester|Acetic acid, 2-(2,4-dichlorophenoxy)-, 2-butoxyethyl ester|Aqua-Kleen|Bladex B|Bladex-B|BRN 1996617|Brush Killer 64|Butoxyethanol ester of (2,4-dichlorophenoxy)acetic acid|Butoxyethanol ester of 2,4-D|Butoxyethyl (2,4-dichlorophenoxy)acetate|Butoxyethyl 2,4-dichlorophenoxyacetate|Caswell No. 315AI|EINECS 217-680-1|EPA Pesticide Chemical Code 030053|Lo-Estasol|Planotox|U https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032309
ARPathway2016 ARPathway2016_963 2,4-D-Butotyl 1929-73-3 DTXSID1032309 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D-Butotyl 1929-73-3|2,4-D-Butotyl|(2,4-Dichlorophenoxy)acetic acid butoxyethyl ester|2-butoxyethyl 2,4-dichlorophenoxyacetate|2-Butoxyethyl-2,4-dichlorphenoxyacetat|2,4-D 2-Butoxyethyl ester|2,4-D butoxyethanol|2,4-D butoxyethanol ester|2,4-D butoxyethyl ester|2,4-D-(2-BUTOXYAETHYL)-ESTER|2,4-D-(2-Butoxyethyl)|2,4-dichlorophenoxyacetate de 2-butoxyethyle|2,4-Dichlorophenoxyacetic acid 2-Butoxyethyl ester|2,4-Dichlorophenoxyacetic acid butoxyethanol ester|2,4-Dichlorophenoxyacetic acid butoxyethyl ester|2,4-Dichlorophenoxyacetic acid ethylene glycol butyl ether ester|2,4-diclorofenoxiacetato de 2-butoxietilo|4-06-00-00911|Acetic acid, (2,4-dichlorophenoxy)-, 2-butoxyethyl ester|Acetic acid, 2-(2,4-dichlorophenoxy)-, 2-butoxyethyl ester|Aqua-Kleen|Bladex B|Bladex-B|BRN 1996617|Brush Killer 64|Butoxyethanol ester of (2,4-dichlorophenoxy)acetic acid|Butoxyethanol ester of 2,4-D|Butoxyethyl (2,4-dichlorophenoxy)acetate|Butoxyethyl 2,4-dichlorophenoxyacetate|Caswell No. 315AI|EINECS 217-680-1|EPA Pesticide Chemical Code 030053|Lo-Estasol|Planotox|U https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032309
ERPathway2016 ERPathway2016_979 2,4-D-Butotyl 1929-73-3 DTXSID1032309 A15 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D-Butotyl 1929-73-3|2,4-D-Butotyl|(2,4-Dichlorophenoxy)acetic acid butoxyethyl ester|2-butoxyethyl 2,4-dichlorophenoxyacetate|2-Butoxyethyl-2,4-dichlorphenoxyacetat|2,4-D 2-Butoxyethyl ester|2,4-D butoxyethanol|2,4-D butoxyethanol ester|2,4-D butoxyethyl ester|2,4-D-(2-BUTOXYAETHYL)-ESTER|2,4-D-(2-Butoxyethyl)|2,4-dichlorophenoxyacetate de 2-butoxyethyle|2,4-Dichlorophenoxyacetic acid 2-Butoxyethyl ester|2,4-Dichlorophenoxyacetic acid butoxyethanol ester|2,4-Dichlorophenoxyacetic acid butoxyethyl ester|2,4-Dichlorophenoxyacetic acid ethylene glycol butyl ether ester|2,4-diclorofenoxiacetato de 2-butoxietilo|4-06-00-00911|Acetic acid, (2,4-dichlorophenoxy)-, 2-butoxyethyl ester|Acetic acid, 2-(2,4-dichlorophenoxy)-, 2-butoxyethyl ester|Aqua-Kleen|Bladex B|Bladex-B|BRN 1996617|Brush Killer 64|Butoxyethanol ester of (2,4-dichlorophenoxy)acetic acid|Butoxyethanol ester of 2,4-D|Butoxyethyl (2,4-dichlorophenoxy)acetate|Butoxyethyl 2,4-dichlorophenoxyacetate|Caswell No. 315AI|EINECS 217-680-1|EPA Pesticide Chemical Code 030053|Lo-Estasol|Planotox|U https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032309
ERPathway2016 ERPathway2016_979 2,4-D-Butotyl 1929-73-3 DTXSID1032309 A15 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D-Butotyl 1929-73-3|2,4-D-Butotyl|(2,4-Dichlorophenoxy)acetic acid butoxyethyl ester|2-butoxyethyl 2,4-dichlorophenoxyacetate|2-Butoxyethyl-2,4-dichlorphenoxyacetat|2,4-D 2-Butoxyethyl ester|2,4-D butoxyethanol|2,4-D butoxyethanol ester|2,4-D butoxyethyl ester|2,4-D-(2-BUTOXYAETHYL)-ESTER|2,4-D-(2-Butoxyethyl)|2,4-dichlorophenoxyacetate de 2-butoxyethyle|2,4-Dichlorophenoxyacetic acid 2-Butoxyethyl ester|2,4-Dichlorophenoxyacetic acid butoxyethanol ester|2,4-Dichlorophenoxyacetic acid butoxyethyl ester|2,4-Dichlorophenoxyacetic acid ethylene glycol butyl ether ester|2,4-diclorofenoxiacetato de 2-butoxietilo|4-06-00-00911|Acetic acid, (2,4-dichlorophenoxy)-, 2-butoxyethyl ester|Acetic acid, 2-(2,4-dichlorophenoxy)-, 2-butoxyethyl ester|Aqua-Kleen|Bladex B|Bladex-B|BRN 1996617|Brush Killer 64|Butoxyethanol ester of (2,4-dichlorophenoxy)acetic acid|Butoxyethanol ester of 2,4-D|Butoxyethyl (2,4-dichlorophenoxy)acetate|Butoxyethyl 2,4-dichlorophenoxyacetate|Caswell No. 315AI|EINECS 217-680-1|EPA Pesticide Chemical Code 030053|Lo-Estasol|Planotox|U https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032309
ERPathway2016 ERPathway2016_979 2,4-D-Butotyl 1929-73-3 DTXSID1032309 A15 ER Pathway Model, Agonist Call Inactive Unitless CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D-Butotyl 1929-73-3|2,4-D-Butotyl|(2,4-Dichlorophenoxy)acetic acid butoxyethyl ester|2-butoxyethyl 2,4-dichlorophenoxyacetate|2-Butoxyethyl-2,4-dichlorphenoxyacetat|2,4-D 2-Butoxyethyl ester|2,4-D butoxyethanol|2,4-D butoxyethanol ester|2,4-D butoxyethyl ester|2,4-D-(2-BUTOXYAETHYL)-ESTER|2,4-D-(2-Butoxyethyl)|2,4-dichlorophenoxyacetate de 2-butoxyethyle|2,4-Dichlorophenoxyacetic acid 2-Butoxyethyl ester|2,4-Dichlorophenoxyacetic acid butoxyethanol ester|2,4-Dichlorophenoxyacetic acid butoxyethyl ester|2,4-Dichlorophenoxyacetic acid ethylene glycol butyl ether ester|2,4-diclorofenoxiacetato de 2-butoxietilo|4-06-00-00911|Acetic acid, (2,4-dichlorophenoxy)-, 2-butoxyethyl ester|Acetic acid, 2-(2,4-dichlorophenoxy)-, 2-butoxyethyl ester|Aqua-Kleen|Bladex B|Bladex-B|BRN 1996617|Brush Killer 64|Butoxyethanol ester of (2,4-dichlorophenoxy)acetic acid|Butoxyethanol ester of 2,4-D|Butoxyethyl (2,4-dichlorophenoxy)acetate|Butoxyethyl 2,4-dichlorophenoxyacetate|Caswell No. 315AI|EINECS 217-680-1|EPA Pesticide Chemical Code 030053|Lo-Estasol|Planotox|U https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032309
ERPathway2016 ERPathway2016_979 2,4-D-Butotyl 1929-73-3 DTXSID1032309 A15 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D-Butotyl 1929-73-3|2,4-D-Butotyl|(2,4-Dichlorophenoxy)acetic acid butoxyethyl ester|2-butoxyethyl 2,4-dichlorophenoxyacetate|2-Butoxyethyl-2,4-dichlorphenoxyacetat|2,4-D 2-Butoxyethyl ester|2,4-D butoxyethanol|2,4-D butoxyethanol ester|2,4-D butoxyethyl ester|2,4-D-(2-BUTOXYAETHYL)-ESTER|2,4-D-(2-Butoxyethyl)|2,4-dichlorophenoxyacetate de 2-butoxyethyle|2,4-Dichlorophenoxyacetic acid 2-Butoxyethyl ester|2,4-Dichlorophenoxyacetic acid butoxyethanol ester|2,4-Dichlorophenoxyacetic acid butoxyethyl ester|2,4-Dichlorophenoxyacetic acid ethylene glycol butyl ether ester|2,4-diclorofenoxiacetato de 2-butoxietilo|4-06-00-00911|Acetic acid, (2,4-dichlorophenoxy)-, 2-butoxyethyl ester|Acetic acid, 2-(2,4-dichlorophenoxy)-, 2-butoxyethyl ester|Aqua-Kleen|Bladex B|Bladex-B|BRN 1996617|Brush Killer 64|Butoxyethanol ester of (2,4-dichlorophenoxy)acetic acid|Butoxyethanol ester of 2,4-D|Butoxyethyl (2,4-dichlorophenoxy)acetate|Butoxyethyl 2,4-dichlorophenoxyacetate|Caswell No. 315AI|EINECS 217-680-1|EPA Pesticide Chemical Code 030053|Lo-Estasol|Planotox|U https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032309
ARPathway2016 ARPathway2016_1290 2,4-D-ethyl ester 533-23-3 DTXSID1041346 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D-ethyl ester 533-23-3|2,4-D-ethyl ester|(2,4-Dichlorophenoxy)acetic acid ethyl ester|2,4-D ethyl ester|2,4-D-ethyl|2,4-DEE|BRN 2333426|Caswell No. 315AP|Dicotox|EINECS 208-558-9|EPA Pesticide Chemical Code 030060|Ethyl (2,4-dichlorophenoxy)acetate|Ethyl 2,4-dichlorobenzeneacetate|Ethyl 2,4-dichlorophenoxyacetate|UNII-S8J68U4959|53637-38-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041346
ARPathway2016 ARPathway2016_1290 2,4-D-ethyl ester 533-23-3 DTXSID1041346 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D-ethyl ester 533-23-3|2,4-D-ethyl ester|(2,4-Dichlorophenoxy)acetic acid ethyl ester|2,4-D ethyl ester|2,4-D-ethyl|2,4-DEE|BRN 2333426|Caswell No. 315AP|Dicotox|EINECS 208-558-9|EPA Pesticide Chemical Code 030060|Ethyl (2,4-dichlorophenoxy)acetate|Ethyl 2,4-dichlorobenzeneacetate|Ethyl 2,4-dichlorophenoxyacetate|UNII-S8J68U4959|53637-38-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041346
ARPathway2016 ARPathway2016_1290 2,4-D-ethyl ester 533-23-3 DTXSID1041346 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D-ethyl ester 533-23-3|2,4-D-ethyl ester|(2,4-Dichlorophenoxy)acetic acid ethyl ester|2,4-D ethyl ester|2,4-D-ethyl|2,4-DEE|BRN 2333426|Caswell No. 315AP|Dicotox|EINECS 208-558-9|EPA Pesticide Chemical Code 030060|Ethyl (2,4-dichlorophenoxy)acetate|Ethyl 2,4-dichlorobenzeneacetate|Ethyl 2,4-dichlorophenoxyacetate|UNII-S8J68U4959|53637-38-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041346
ARPathway2016 ARPathway2016_1290 2,4-D-ethyl ester 533-23-3 DTXSID1041346 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D-ethyl ester 533-23-3|2,4-D-ethyl ester|(2,4-Dichlorophenoxy)acetic acid ethyl ester|2,4-D ethyl ester|2,4-D-ethyl|2,4-DEE|BRN 2333426|Caswell No. 315AP|Dicotox|EINECS 208-558-9|EPA Pesticide Chemical Code 030060|Ethyl (2,4-dichlorophenoxy)acetate|Ethyl 2,4-dichlorobenzeneacetate|Ethyl 2,4-dichlorophenoxyacetate|UNII-S8J68U4959|53637-38-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041346
ERPathway2016 ERPathway2016_1518 2,4-D-ethyl ester 533-23-3 DTXSID1041346 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D-ethyl ester 533-23-3|2,4-D-ethyl ester|(2,4-Dichlorophenoxy)acetic acid ethyl ester|2,4-D ethyl ester|2,4-D-ethyl|2,4-DEE|BRN 2333426|Caswell No. 315AP|Dicotox|EINECS 208-558-9|EPA Pesticide Chemical Code 030060|Ethyl (2,4-dichlorophenoxy)acetate|Ethyl 2,4-dichlorobenzeneacetate|Ethyl 2,4-dichlorophenoxyacetate|UNII-S8J68U4959|53637-38-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041346
ERPathway2016 ERPathway2016_1518 2,4-D-ethyl ester 533-23-3 DTXSID1041346 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D-ethyl ester 533-23-3|2,4-D-ethyl ester|(2,4-Dichlorophenoxy)acetic acid ethyl ester|2,4-D ethyl ester|2,4-D-ethyl|2,4-DEE|BRN 2333426|Caswell No. 315AP|Dicotox|EINECS 208-558-9|EPA Pesticide Chemical Code 030060|Ethyl (2,4-dichlorophenoxy)acetate|Ethyl 2,4-dichlorobenzeneacetate|Ethyl 2,4-dichlorophenoxyacetate|UNII-S8J68U4959|53637-38-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041346
ERPathway2016 ERPathway2016_1518 2,4-D-ethyl ester 533-23-3 DTXSID1041346 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D-ethyl ester 533-23-3|2,4-D-ethyl ester|(2,4-Dichlorophenoxy)acetic acid ethyl ester|2,4-D ethyl ester|2,4-D-ethyl|2,4-DEE|BRN 2333426|Caswell No. 315AP|Dicotox|EINECS 208-558-9|EPA Pesticide Chemical Code 030060|Ethyl (2,4-dichlorophenoxy)acetate|Ethyl 2,4-dichlorobenzeneacetate|Ethyl 2,4-dichlorophenoxyacetate|UNII-S8J68U4959|53637-38-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041346
ERPathway2016 ERPathway2016_1518 2,4-D-ethyl ester 533-23-3 DTXSID1041346 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-D-ethyl ester 533-23-3|2,4-D-ethyl ester|(2,4-Dichlorophenoxy)acetic acid ethyl ester|2,4-D ethyl ester|2,4-D-ethyl|2,4-DEE|BRN 2333426|Caswell No. 315AP|Dicotox|EINECS 208-558-9|EPA Pesticide Chemical Code 030060|Ethyl (2,4-dichlorophenoxy)acetate|Ethyl 2,4-dichlorobenzeneacetate|Ethyl 2,4-dichlorophenoxyacetate|UNII-S8J68U4959|53637-38-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041346
ARPathway2016 ARPathway2016_1770 2,4-Diaminotoluene 95-80-7 DTXSID4020402 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(N)C=C(N)C=C1 2,4-Diaminotoluene 95-80-7|2,4-Diaminotoluene|1,3-Benzenediamine, 4-methyl-|1,3-Diamino-4-methylbenzene|2,4-Diamino-1-methylbenzene|2,4-Diamino-1-toluene|2,4-Diaminotoluen|2,4-DIAMINOTOLUOL|2,4-Tolamine|2,4-toluene diamine|2,4-Toluenediamine|2,4-Tolylenediamine|3-Amino-p-toluidine|4-13-00-00235|4-m-Tolylenediamine|4-Methyl-1,3-benzenediamine|4-Methyl-1,3-phenylenediamine|4-Methyl-m-phenylendiamin|4-Methyl-m-phenylenediamine|4-metil-m-fenilendiamina|5-Amino-o-toluidine|Benzofur MT|BRN 2205839|Brown for Fur T|C.I. Oxidation Base 35|CI Oxidation Base 35|Developer 14|Developer B|Developer DB|Developer DBJ|Developer MC|Developer MT|Developer MT-CF|Developer MTD|Developer T|EINECS 202-453-1|Eucanine GB|Fouramine J|Fourrine 94|Fourrine M|m-Toluenediamine|m-Toluylendiamin|m-Toluylenediamine|m-Tolylenediamine|meta-Tolylenediamine|Nako TMT|NCI-C02302|NCI-C023O2|Pelagol Grey J|Pelagol J|PHENYLENE-1,3-DIAMINE, 4-METHYL-|Pontamine Developer TN|Renal MD|Tertral G|Toluene-2,4-diamine|Toluenediamine, o-|Tolylene-2,4-diamine|UN 1709|UN3418|UNII-IS1AKN4HYB|Zoba GKE|Zogen |12236-56-5|85898-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020402 https://doi.org/10.22427/NTP-DATA-DTXSID4020402
ARPathway2016 ARPathway2016_1770 2,4-Diaminotoluene 95-80-7 DTXSID4020402 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(N)C=C(N)C=C1 2,4-Diaminotoluene 95-80-7|2,4-Diaminotoluene|1,3-Benzenediamine, 4-methyl-|1,3-Diamino-4-methylbenzene|2,4-Diamino-1-methylbenzene|2,4-Diamino-1-toluene|2,4-Diaminotoluen|2,4-DIAMINOTOLUOL|2,4-Tolamine|2,4-toluene diamine|2,4-Toluenediamine|2,4-Tolylenediamine|3-Amino-p-toluidine|4-13-00-00235|4-m-Tolylenediamine|4-Methyl-1,3-benzenediamine|4-Methyl-1,3-phenylenediamine|4-Methyl-m-phenylendiamin|4-Methyl-m-phenylenediamine|4-metil-m-fenilendiamina|5-Amino-o-toluidine|Benzofur MT|BRN 2205839|Brown for Fur T|C.I. Oxidation Base 35|CI Oxidation Base 35|Developer 14|Developer B|Developer DB|Developer DBJ|Developer MC|Developer MT|Developer MT-CF|Developer MTD|Developer T|EINECS 202-453-1|Eucanine GB|Fouramine J|Fourrine 94|Fourrine M|m-Toluenediamine|m-Toluylendiamin|m-Toluylenediamine|m-Tolylenediamine|meta-Tolylenediamine|Nako TMT|NCI-C02302|NCI-C023O2|Pelagol Grey J|Pelagol J|PHENYLENE-1,3-DIAMINE, 4-METHYL-|Pontamine Developer TN|Renal MD|Tertral G|Toluene-2,4-diamine|Toluenediamine, o-|Tolylene-2,4-diamine|UN 1709|UN3418|UNII-IS1AKN4HYB|Zoba GKE|Zogen |12236-56-5|85898-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020402 https://doi.org/10.22427/NTP-DATA-DTXSID4020402
ARPathway2016 ARPathway2016_1770 2,4-Diaminotoluene 95-80-7 DTXSID4020402 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(N)C=C(N)C=C1 2,4-Diaminotoluene 95-80-7|2,4-Diaminotoluene|1,3-Benzenediamine, 4-methyl-|1,3-Diamino-4-methylbenzene|2,4-Diamino-1-methylbenzene|2,4-Diamino-1-toluene|2,4-Diaminotoluen|2,4-DIAMINOTOLUOL|2,4-Tolamine|2,4-toluene diamine|2,4-Toluenediamine|2,4-Tolylenediamine|3-Amino-p-toluidine|4-13-00-00235|4-m-Tolylenediamine|4-Methyl-1,3-benzenediamine|4-Methyl-1,3-phenylenediamine|4-Methyl-m-phenylendiamin|4-Methyl-m-phenylenediamine|4-metil-m-fenilendiamina|5-Amino-o-toluidine|Benzofur MT|BRN 2205839|Brown for Fur T|C.I. Oxidation Base 35|CI Oxidation Base 35|Developer 14|Developer B|Developer DB|Developer DBJ|Developer MC|Developer MT|Developer MT-CF|Developer MTD|Developer T|EINECS 202-453-1|Eucanine GB|Fouramine J|Fourrine 94|Fourrine M|m-Toluenediamine|m-Toluylendiamin|m-Toluylenediamine|m-Tolylenediamine|meta-Tolylenediamine|Nako TMT|NCI-C02302|NCI-C023O2|Pelagol Grey J|Pelagol J|PHENYLENE-1,3-DIAMINE, 4-METHYL-|Pontamine Developer TN|Renal MD|Tertral G|Toluene-2,4-diamine|Toluenediamine, o-|Tolylene-2,4-diamine|UN 1709|UN3418|UNII-IS1AKN4HYB|Zoba GKE|Zogen |12236-56-5|85898-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020402 https://doi.org/10.22427/NTP-DATA-DTXSID4020402
ARPathway2016 ARPathway2016_1770 2,4-Diaminotoluene 95-80-7 DTXSID4020402 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(N)C=C(N)C=C1 2,4-Diaminotoluene 95-80-7|2,4-Diaminotoluene|1,3-Benzenediamine, 4-methyl-|1,3-Diamino-4-methylbenzene|2,4-Diamino-1-methylbenzene|2,4-Diamino-1-toluene|2,4-Diaminotoluen|2,4-DIAMINOTOLUOL|2,4-Tolamine|2,4-toluene diamine|2,4-Toluenediamine|2,4-Tolylenediamine|3-Amino-p-toluidine|4-13-00-00235|4-m-Tolylenediamine|4-Methyl-1,3-benzenediamine|4-Methyl-1,3-phenylenediamine|4-Methyl-m-phenylendiamin|4-Methyl-m-phenylenediamine|4-metil-m-fenilendiamina|5-Amino-o-toluidine|Benzofur MT|BRN 2205839|Brown for Fur T|C.I. Oxidation Base 35|CI Oxidation Base 35|Developer 14|Developer B|Developer DB|Developer DBJ|Developer MC|Developer MT|Developer MT-CF|Developer MTD|Developer T|EINECS 202-453-1|Eucanine GB|Fouramine J|Fourrine 94|Fourrine M|m-Toluenediamine|m-Toluylendiamin|m-Toluylenediamine|m-Tolylenediamine|meta-Tolylenediamine|Nako TMT|NCI-C02302|NCI-C023O2|Pelagol Grey J|Pelagol J|PHENYLENE-1,3-DIAMINE, 4-METHYL-|Pontamine Developer TN|Renal MD|Tertral G|Toluene-2,4-diamine|Toluenediamine, o-|Tolylene-2,4-diamine|UN 1709|UN3418|UNII-IS1AKN4HYB|Zoba GKE|Zogen |12236-56-5|85898-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020402 https://doi.org/10.22427/NTP-DATA-DTXSID4020402
ERPathway2016 ERPathway2016_1771 2,4-Diaminotoluene 95-80-7 DTXSID4020402 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(N)C=C(N)C=C1 2,4-Diaminotoluene 95-80-7|2,4-Diaminotoluene|1,3-Benzenediamine, 4-methyl-|1,3-Diamino-4-methylbenzene|2,4-Diamino-1-methylbenzene|2,4-Diamino-1-toluene|2,4-Diaminotoluen|2,4-DIAMINOTOLUOL|2,4-Tolamine|2,4-toluene diamine|2,4-Toluenediamine|2,4-Tolylenediamine|3-Amino-p-toluidine|4-13-00-00235|4-m-Tolylenediamine|4-Methyl-1,3-benzenediamine|4-Methyl-1,3-phenylenediamine|4-Methyl-m-phenylendiamin|4-Methyl-m-phenylenediamine|4-metil-m-fenilendiamina|5-Amino-o-toluidine|Benzofur MT|BRN 2205839|Brown for Fur T|C.I. Oxidation Base 35|CI Oxidation Base 35|Developer 14|Developer B|Developer DB|Developer DBJ|Developer MC|Developer MT|Developer MT-CF|Developer MTD|Developer T|EINECS 202-453-1|Eucanine GB|Fouramine J|Fourrine 94|Fourrine M|m-Toluenediamine|m-Toluylendiamin|m-Toluylenediamine|m-Tolylenediamine|meta-Tolylenediamine|Nako TMT|NCI-C02302|NCI-C023O2|Pelagol Grey J|Pelagol J|PHENYLENE-1,3-DIAMINE, 4-METHYL-|Pontamine Developer TN|Renal MD|Tertral G|Toluene-2,4-diamine|Toluenediamine, o-|Tolylene-2,4-diamine|UN 1709|UN3418|UNII-IS1AKN4HYB|Zoba GKE|Zogen |12236-56-5|85898-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020402 https://doi.org/10.22427/NTP-DATA-DTXSID4020402
ERPathway2016 ERPathway2016_1771 2,4-Diaminotoluene 95-80-7 DTXSID4020402 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(N)C=C(N)C=C1 2,4-Diaminotoluene 95-80-7|2,4-Diaminotoluene|1,3-Benzenediamine, 4-methyl-|1,3-Diamino-4-methylbenzene|2,4-Diamino-1-methylbenzene|2,4-Diamino-1-toluene|2,4-Diaminotoluen|2,4-DIAMINOTOLUOL|2,4-Tolamine|2,4-toluene diamine|2,4-Toluenediamine|2,4-Tolylenediamine|3-Amino-p-toluidine|4-13-00-00235|4-m-Tolylenediamine|4-Methyl-1,3-benzenediamine|4-Methyl-1,3-phenylenediamine|4-Methyl-m-phenylendiamin|4-Methyl-m-phenylenediamine|4-metil-m-fenilendiamina|5-Amino-o-toluidine|Benzofur MT|BRN 2205839|Brown for Fur T|C.I. Oxidation Base 35|CI Oxidation Base 35|Developer 14|Developer B|Developer DB|Developer DBJ|Developer MC|Developer MT|Developer MT-CF|Developer MTD|Developer T|EINECS 202-453-1|Eucanine GB|Fouramine J|Fourrine 94|Fourrine M|m-Toluenediamine|m-Toluylendiamin|m-Toluylenediamine|m-Tolylenediamine|meta-Tolylenediamine|Nako TMT|NCI-C02302|NCI-C023O2|Pelagol Grey J|Pelagol J|PHENYLENE-1,3-DIAMINE, 4-METHYL-|Pontamine Developer TN|Renal MD|Tertral G|Toluene-2,4-diamine|Toluenediamine, o-|Tolylene-2,4-diamine|UN 1709|UN3418|UNII-IS1AKN4HYB|Zoba GKE|Zogen |12236-56-5|85898-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020402 https://doi.org/10.22427/NTP-DATA-DTXSID4020402
ERPathway2016 ERPathway2016_1771 2,4-Diaminotoluene 95-80-7 DTXSID4020402 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(N)C=C(N)C=C1 2,4-Diaminotoluene 95-80-7|2,4-Diaminotoluene|1,3-Benzenediamine, 4-methyl-|1,3-Diamino-4-methylbenzene|2,4-Diamino-1-methylbenzene|2,4-Diamino-1-toluene|2,4-Diaminotoluen|2,4-DIAMINOTOLUOL|2,4-Tolamine|2,4-toluene diamine|2,4-Toluenediamine|2,4-Tolylenediamine|3-Amino-p-toluidine|4-13-00-00235|4-m-Tolylenediamine|4-Methyl-1,3-benzenediamine|4-Methyl-1,3-phenylenediamine|4-Methyl-m-phenylendiamin|4-Methyl-m-phenylenediamine|4-metil-m-fenilendiamina|5-Amino-o-toluidine|Benzofur MT|BRN 2205839|Brown for Fur T|C.I. Oxidation Base 35|CI Oxidation Base 35|Developer 14|Developer B|Developer DB|Developer DBJ|Developer MC|Developer MT|Developer MT-CF|Developer MTD|Developer T|EINECS 202-453-1|Eucanine GB|Fouramine J|Fourrine 94|Fourrine M|m-Toluenediamine|m-Toluylendiamin|m-Toluylenediamine|m-Tolylenediamine|meta-Tolylenediamine|Nako TMT|NCI-C02302|NCI-C023O2|Pelagol Grey J|Pelagol J|PHENYLENE-1,3-DIAMINE, 4-METHYL-|Pontamine Developer TN|Renal MD|Tertral G|Toluene-2,4-diamine|Toluenediamine, o-|Tolylene-2,4-diamine|UN 1709|UN3418|UNII-IS1AKN4HYB|Zoba GKE|Zogen |12236-56-5|85898-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020402 https://doi.org/10.22427/NTP-DATA-DTXSID4020402
ERPathway2016 ERPathway2016_1771 2,4-Diaminotoluene 95-80-7 DTXSID4020402 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(N)C=C(N)C=C1 2,4-Diaminotoluene 95-80-7|2,4-Diaminotoluene|1,3-Benzenediamine, 4-methyl-|1,3-Diamino-4-methylbenzene|2,4-Diamino-1-methylbenzene|2,4-Diamino-1-toluene|2,4-Diaminotoluen|2,4-DIAMINOTOLUOL|2,4-Tolamine|2,4-toluene diamine|2,4-Toluenediamine|2,4-Tolylenediamine|3-Amino-p-toluidine|4-13-00-00235|4-m-Tolylenediamine|4-Methyl-1,3-benzenediamine|4-Methyl-1,3-phenylenediamine|4-Methyl-m-phenylendiamin|4-Methyl-m-phenylenediamine|4-metil-m-fenilendiamina|5-Amino-o-toluidine|Benzofur MT|BRN 2205839|Brown for Fur T|C.I. Oxidation Base 35|CI Oxidation Base 35|Developer 14|Developer B|Developer DB|Developer DBJ|Developer MC|Developer MT|Developer MT-CF|Developer MTD|Developer T|EINECS 202-453-1|Eucanine GB|Fouramine J|Fourrine 94|Fourrine M|m-Toluenediamine|m-Toluylendiamin|m-Toluylenediamine|m-Tolylenediamine|meta-Tolylenediamine|Nako TMT|NCI-C02302|NCI-C023O2|Pelagol Grey J|Pelagol J|PHENYLENE-1,3-DIAMINE, 4-METHYL-|Pontamine Developer TN|Renal MD|Tertral G|Toluene-2,4-diamine|Toluenediamine, o-|Tolylene-2,4-diamine|UN 1709|UN3418|UNII-IS1AKN4HYB|Zoba GKE|Zogen |12236-56-5|85898-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020402 https://doi.org/10.22427/NTP-DATA-DTXSID4020402
ARPathway2016 ARPathway2016_679 2,4-Dichlorophenol 120-83-2 DTXSID1020439 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=C(Cl)C=C(Cl)C=C1 2,4-Dichlorophenol 120-83-2|2,4-Dichlorophenol|1-Hydroxy-2,4-dichlorobenzene|1,3-Dichloro-4-hydroxybenzene|2,4-D TP1|2,4-DCP|2,4-Dichloro-Phenol|2,4-Dichlorohydroxybenzene|2,4-Dichlorophenate|2,4-Dichlorophenic acid|2,4-Dichlorphenol|2,4-diclorofenol|4-06-00-00885|4,6-Dichlorophenol|BRN 0742467|DCP|EINECS 204-429-6|NCI-C55345|NSC 2879|Phenol, 2,4-dichloro-|RCRA waste number U081|UNII-R669TG1950 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020439 https://doi.org/10.22427/NTP-DATA-DTXSID1020439
ARPathway2016 ARPathway2016_679 2,4-Dichlorophenol 120-83-2 DTXSID1020439 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1=C(Cl)C=C(Cl)C=C1 2,4-Dichlorophenol 120-83-2|2,4-Dichlorophenol|1-Hydroxy-2,4-dichlorobenzene|1,3-Dichloro-4-hydroxybenzene|2,4-D TP1|2,4-DCP|2,4-Dichloro-Phenol|2,4-Dichlorohydroxybenzene|2,4-Dichlorophenate|2,4-Dichlorophenic acid|2,4-Dichlorphenol|2,4-diclorofenol|4-06-00-00885|4,6-Dichlorophenol|BRN 0742467|DCP|EINECS 204-429-6|NCI-C55345|NSC 2879|Phenol, 2,4-dichloro-|RCRA waste number U081|UNII-R669TG1950 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020439 https://doi.org/10.22427/NTP-DATA-DTXSID1020439
ARPathway2016 ARPathway2016_679 2,4-Dichlorophenol 120-83-2 DTXSID1020439 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1=C(Cl)C=C(Cl)C=C1 2,4-Dichlorophenol 120-83-2|2,4-Dichlorophenol|1-Hydroxy-2,4-dichlorobenzene|1,3-Dichloro-4-hydroxybenzene|2,4-D TP1|2,4-DCP|2,4-Dichloro-Phenol|2,4-Dichlorohydroxybenzene|2,4-Dichlorophenate|2,4-Dichlorophenic acid|2,4-Dichlorphenol|2,4-diclorofenol|4-06-00-00885|4,6-Dichlorophenol|BRN 0742467|DCP|EINECS 204-429-6|NCI-C55345|NSC 2879|Phenol, 2,4-dichloro-|RCRA waste number U081|UNII-R669TG1950 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020439 https://doi.org/10.22427/NTP-DATA-DTXSID1020439
ARPathway2016 ARPathway2016_679 2,4-Dichlorophenol 120-83-2 DTXSID1020439 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(Cl)C=C(Cl)C=C1 2,4-Dichlorophenol 120-83-2|2,4-Dichlorophenol|1-Hydroxy-2,4-dichlorobenzene|1,3-Dichloro-4-hydroxybenzene|2,4-D TP1|2,4-DCP|2,4-Dichloro-Phenol|2,4-Dichlorohydroxybenzene|2,4-Dichlorophenate|2,4-Dichlorophenic acid|2,4-Dichlorphenol|2,4-diclorofenol|4-06-00-00885|4,6-Dichlorophenol|BRN 0742467|DCP|EINECS 204-429-6|NCI-C55345|NSC 2879|Phenol, 2,4-dichloro-|RCRA waste number U081|UNII-R669TG1950 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020439 https://doi.org/10.22427/NTP-DATA-DTXSID1020439
ERPathway2016 ERPathway2016_452 2,4-Dichlorophenol 120-83-2 DTXSID1020439 ER Pathway Model, Antagonist AC50 51.1343699589212 uM OC1=C(Cl)C=C(Cl)C=C1 2,4-Dichlorophenol 120-83-2|2,4-Dichlorophenol|1-Hydroxy-2,4-dichlorobenzene|1,3-Dichloro-4-hydroxybenzene|2,4-D TP1|2,4-DCP|2,4-Dichloro-Phenol|2,4-Dichlorohydroxybenzene|2,4-Dichlorophenate|2,4-Dichlorophenic acid|2,4-Dichlorphenol|2,4-diclorofenol|4-06-00-00885|4,6-Dichlorophenol|BRN 0742467|DCP|EINECS 204-429-6|NCI-C55345|NSC 2879|Phenol, 2,4-dichloro-|RCRA waste number U081|UNII-R669TG1950 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020439 https://doi.org/10.22427/NTP-DATA-DTXSID1020439
ERPathway2016 ERPathway2016_452 2,4-Dichlorophenol 120-83-2 DTXSID1020439 ER Pathway Model, Antagonist ACC 44.2479990960905 uM OC1=C(Cl)C=C(Cl)C=C1 2,4-Dichlorophenol 120-83-2|2,4-Dichlorophenol|1-Hydroxy-2,4-dichlorobenzene|1,3-Dichloro-4-hydroxybenzene|2,4-D TP1|2,4-DCP|2,4-Dichloro-Phenol|2,4-Dichlorohydroxybenzene|2,4-Dichlorophenate|2,4-Dichlorophenic acid|2,4-Dichlorphenol|2,4-diclorofenol|4-06-00-00885|4,6-Dichlorophenol|BRN 0742467|DCP|EINECS 204-429-6|NCI-C55345|NSC 2879|Phenol, 2,4-dichloro-|RCRA waste number U081|UNII-R669TG1950 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020439 https://doi.org/10.22427/NTP-DATA-DTXSID1020439
ERPathway2016 ERPathway2016_452 2,4-Dichlorophenol 120-83-2 DTXSID1020439 ER Pathway Model, Agonist Model Score 0.00424 Unitless OC1=C(Cl)C=C(Cl)C=C1 2,4-Dichlorophenol 120-83-2|2,4-Dichlorophenol|1-Hydroxy-2,4-dichlorobenzene|1,3-Dichloro-4-hydroxybenzene|2,4-D TP1|2,4-DCP|2,4-Dichloro-Phenol|2,4-Dichlorohydroxybenzene|2,4-Dichlorophenate|2,4-Dichlorophenic acid|2,4-Dichlorphenol|2,4-diclorofenol|4-06-00-00885|4,6-Dichlorophenol|BRN 0742467|DCP|EINECS 204-429-6|NCI-C55345|NSC 2879|Phenol, 2,4-dichloro-|RCRA waste number U081|UNII-R669TG1950 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020439 https://doi.org/10.22427/NTP-DATA-DTXSID1020439
ERPathway2016 ERPathway2016_452 2,4-Dichlorophenol 120-83-2 DTXSID1020439 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C(Cl)C=C(Cl)C=C1 2,4-Dichlorophenol 120-83-2|2,4-Dichlorophenol|1-Hydroxy-2,4-dichlorobenzene|1,3-Dichloro-4-hydroxybenzene|2,4-D TP1|2,4-DCP|2,4-Dichloro-Phenol|2,4-Dichlorohydroxybenzene|2,4-Dichlorophenate|2,4-Dichlorophenic acid|2,4-Dichlorphenol|2,4-diclorofenol|4-06-00-00885|4,6-Dichlorophenol|BRN 0742467|DCP|EINECS 204-429-6|NCI-C55345|NSC 2879|Phenol, 2,4-dichloro-|RCRA waste number U081|UNII-R669TG1950 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020439 https://doi.org/10.22427/NTP-DATA-DTXSID1020439
ERPathway2016 ERPathway2016_452 2,4-Dichlorophenol 120-83-2 DTXSID1020439 ER Pathway Model, Agonist Call Inactive Unitless OC1=C(Cl)C=C(Cl)C=C1 2,4-Dichlorophenol 120-83-2|2,4-Dichlorophenol|1-Hydroxy-2,4-dichlorobenzene|1,3-Dichloro-4-hydroxybenzene|2,4-D TP1|2,4-DCP|2,4-Dichloro-Phenol|2,4-Dichlorohydroxybenzene|2,4-Dichlorophenate|2,4-Dichlorophenic acid|2,4-Dichlorphenol|2,4-diclorofenol|4-06-00-00885|4,6-Dichlorophenol|BRN 0742467|DCP|EINECS 204-429-6|NCI-C55345|NSC 2879|Phenol, 2,4-dichloro-|RCRA waste number U081|UNII-R669TG1950 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020439 https://doi.org/10.22427/NTP-DATA-DTXSID1020439
ERPathway2016 ERPathway2016_452 2,4-Dichlorophenol 120-83-2 DTXSID1020439 ER Pathway Model, Antagonist Call Active Unitless OC1=C(Cl)C=C(Cl)C=C1 2,4-Dichlorophenol 120-83-2|2,4-Dichlorophenol|1-Hydroxy-2,4-dichlorobenzene|1,3-Dichloro-4-hydroxybenzene|2,4-D TP1|2,4-DCP|2,4-Dichloro-Phenol|2,4-Dichlorohydroxybenzene|2,4-Dichlorophenate|2,4-Dichlorophenic acid|2,4-Dichlorphenol|2,4-diclorofenol|4-06-00-00885|4,6-Dichlorophenol|BRN 0742467|DCP|EINECS 204-429-6|NCI-C55345|NSC 2879|Phenol, 2,4-dichloro-|RCRA waste number U081|UNII-R669TG1950 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020439 https://doi.org/10.22427/NTP-DATA-DTXSID1020439
ARPathway2016 ARPathway2016_1747 2,4-Dichlorophenoxyacetic acid 94-75-7 DTXSID0020442 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-Dichlorophenoxyacetic acid 94-75-7|2,4-Dichlorophenoxyacetic acid|(2, 4-Dichlorophenoxy)acetic acid|(2,4-Dichloor-fenoxy)-azijnzuur|(2,4-Dichloor-fenoxy)-azijnzuur (DUTCH)|(2,4-Dichlor-phenoxy)-essigsaeure|(2,4-Dichlor-phenoxy)-essigsaeure (GERMAN)|(2,4-dichlorophenoxy)-Acetic acid|(2,4-Dichlorophenoxy)acetic acid|(2,4-dichlorophenoxy)acetic acid (ACD/Name 4.0)|(2,4-Dichlorophenyloxy)acetic acid|(2,4-Dichlorphenoxy)acetic acid|(2,4-Dichlorphenoxy)essigsaeure|(2,4-Dichlorphenoxy)essigsaure|(Dichlorophenoxy)acetic acid|2-(2,4-dichlorophenoxy)acetic acid|2,4-D|2,4-D [acetic acid, (2,4-dichlorophenoxy)-]|2,4-D acid|2,4-D Mecoprop|2,4-Dichlorophenoxyacetate|2,4-Dichlorophenoxyethanoic acid|2,4-Dichlorphenoxyessigsaeure|2,4-Dichlorphenoxyessigsaure|2,4-Dwuchlorofenoksyoctowy kwas|2,4-Dwuchlorofenoksyoctowy kwas (POLISH)|4-06-00-00908|Acetic acid, (2,4-dichlorophenoxy)-|Acetic acid, 2-(2,4-dichlorophenoxy)-|acide 2,4-dichloro phenoxyacetique|Acide 2,4-dichloro phenoxyacetique (FRENCH)|Acido 2,4 diclorofenoxiacetico|Acido(2,4-dicloro-fenossi)-acetico|Acido(2,4-dicloro-fenossi)-acet|15183-39-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020442 https://doi.org/10.22427/NTP-DATA-DTXSID0020442
ARPathway2016 ARPathway2016_1747 2,4-Dichlorophenoxyacetic acid 94-75-7 DTXSID0020442 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-Dichlorophenoxyacetic acid 94-75-7|2,4-Dichlorophenoxyacetic acid|(2, 4-Dichlorophenoxy)acetic acid|(2,4-Dichloor-fenoxy)-azijnzuur|(2,4-Dichloor-fenoxy)-azijnzuur (DUTCH)|(2,4-Dichlor-phenoxy)-essigsaeure|(2,4-Dichlor-phenoxy)-essigsaeure (GERMAN)|(2,4-dichlorophenoxy)-Acetic acid|(2,4-Dichlorophenoxy)acetic acid|(2,4-dichlorophenoxy)acetic acid (ACD/Name 4.0)|(2,4-Dichlorophenyloxy)acetic acid|(2,4-Dichlorphenoxy)acetic acid|(2,4-Dichlorphenoxy)essigsaeure|(2,4-Dichlorphenoxy)essigsaure|(Dichlorophenoxy)acetic acid|2-(2,4-dichlorophenoxy)acetic acid|2,4-D|2,4-D [acetic acid, (2,4-dichlorophenoxy)-]|2,4-D acid|2,4-D Mecoprop|2,4-Dichlorophenoxyacetate|2,4-Dichlorophenoxyethanoic acid|2,4-Dichlorphenoxyessigsaeure|2,4-Dichlorphenoxyessigsaure|2,4-Dwuchlorofenoksyoctowy kwas|2,4-Dwuchlorofenoksyoctowy kwas (POLISH)|4-06-00-00908|Acetic acid, (2,4-dichlorophenoxy)-|Acetic acid, 2-(2,4-dichlorophenoxy)-|acide 2,4-dichloro phenoxyacetique|Acide 2,4-dichloro phenoxyacetique (FRENCH)|Acido 2,4 diclorofenoxiacetico|Acido(2,4-dicloro-fenossi)-acetico|Acido(2,4-dicloro-fenossi)-acet|15183-39-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020442 https://doi.org/10.22427/NTP-DATA-DTXSID0020442
ARPathway2016 ARPathway2016_1747 2,4-Dichlorophenoxyacetic acid 94-75-7 DTXSID0020442 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-Dichlorophenoxyacetic acid 94-75-7|2,4-Dichlorophenoxyacetic acid|(2, 4-Dichlorophenoxy)acetic acid|(2,4-Dichloor-fenoxy)-azijnzuur|(2,4-Dichloor-fenoxy)-azijnzuur (DUTCH)|(2,4-Dichlor-phenoxy)-essigsaeure|(2,4-Dichlor-phenoxy)-essigsaeure (GERMAN)|(2,4-dichlorophenoxy)-Acetic acid|(2,4-Dichlorophenoxy)acetic acid|(2,4-dichlorophenoxy)acetic acid (ACD/Name 4.0)|(2,4-Dichlorophenyloxy)acetic acid|(2,4-Dichlorphenoxy)acetic acid|(2,4-Dichlorphenoxy)essigsaeure|(2,4-Dichlorphenoxy)essigsaure|(Dichlorophenoxy)acetic acid|2-(2,4-dichlorophenoxy)acetic acid|2,4-D|2,4-D [acetic acid, (2,4-dichlorophenoxy)-]|2,4-D acid|2,4-D Mecoprop|2,4-Dichlorophenoxyacetate|2,4-Dichlorophenoxyethanoic acid|2,4-Dichlorphenoxyessigsaeure|2,4-Dichlorphenoxyessigsaure|2,4-Dwuchlorofenoksyoctowy kwas|2,4-Dwuchlorofenoksyoctowy kwas (POLISH)|4-06-00-00908|Acetic acid, (2,4-dichlorophenoxy)-|Acetic acid, 2-(2,4-dichlorophenoxy)-|acide 2,4-dichloro phenoxyacetique|Acide 2,4-dichloro phenoxyacetique (FRENCH)|Acido 2,4 diclorofenoxiacetico|Acido(2,4-dicloro-fenossi)-acetico|Acido(2,4-dicloro-fenossi)-acet|15183-39-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020442 https://doi.org/10.22427/NTP-DATA-DTXSID0020442
ARPathway2016 ARPathway2016_1747 2,4-Dichlorophenoxyacetic acid 94-75-7 DTXSID0020442 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-Dichlorophenoxyacetic acid 94-75-7|2,4-Dichlorophenoxyacetic acid|(2, 4-Dichlorophenoxy)acetic acid|(2,4-Dichloor-fenoxy)-azijnzuur|(2,4-Dichloor-fenoxy)-azijnzuur (DUTCH)|(2,4-Dichlor-phenoxy)-essigsaeure|(2,4-Dichlor-phenoxy)-essigsaeure (GERMAN)|(2,4-dichlorophenoxy)-Acetic acid|(2,4-Dichlorophenoxy)acetic acid|(2,4-dichlorophenoxy)acetic acid (ACD/Name 4.0)|(2,4-Dichlorophenyloxy)acetic acid|(2,4-Dichlorphenoxy)acetic acid|(2,4-Dichlorphenoxy)essigsaeure|(2,4-Dichlorphenoxy)essigsaure|(Dichlorophenoxy)acetic acid|2-(2,4-dichlorophenoxy)acetic acid|2,4-D|2,4-D [acetic acid, (2,4-dichlorophenoxy)-]|2,4-D acid|2,4-D Mecoprop|2,4-Dichlorophenoxyacetate|2,4-Dichlorophenoxyethanoic acid|2,4-Dichlorphenoxyessigsaeure|2,4-Dichlorphenoxyessigsaure|2,4-Dwuchlorofenoksyoctowy kwas|2,4-Dwuchlorofenoksyoctowy kwas (POLISH)|4-06-00-00908|Acetic acid, (2,4-dichlorophenoxy)-|Acetic acid, 2-(2,4-dichlorophenoxy)-|acide 2,4-dichloro phenoxyacetique|Acide 2,4-dichloro phenoxyacetique (FRENCH)|Acido 2,4 diclorofenoxiacetico|Acido(2,4-dicloro-fenossi)-acetico|Acido(2,4-dicloro-fenossi)-acet|15183-39-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020442 https://doi.org/10.22427/NTP-DATA-DTXSID0020442
ERPathway2016 ERPathway2016_1757 2,4-Dichlorophenoxyacetic acid 94-75-7 DTXSID0020442 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-Dichlorophenoxyacetic acid 94-75-7|2,4-Dichlorophenoxyacetic acid|(2, 4-Dichlorophenoxy)acetic acid|(2,4-Dichloor-fenoxy)-azijnzuur|(2,4-Dichloor-fenoxy)-azijnzuur (DUTCH)|(2,4-Dichlor-phenoxy)-essigsaeure|(2,4-Dichlor-phenoxy)-essigsaeure (GERMAN)|(2,4-dichlorophenoxy)-Acetic acid|(2,4-Dichlorophenoxy)acetic acid|(2,4-dichlorophenoxy)acetic acid (ACD/Name 4.0)|(2,4-Dichlorophenyloxy)acetic acid|(2,4-Dichlorphenoxy)acetic acid|(2,4-Dichlorphenoxy)essigsaeure|(2,4-Dichlorphenoxy)essigsaure|(Dichlorophenoxy)acetic acid|2-(2,4-dichlorophenoxy)acetic acid|2,4-D|2,4-D [acetic acid, (2,4-dichlorophenoxy)-]|2,4-D acid|2,4-D Mecoprop|2,4-Dichlorophenoxyacetate|2,4-Dichlorophenoxyethanoic acid|2,4-Dichlorphenoxyessigsaeure|2,4-Dichlorphenoxyessigsaure|2,4-Dwuchlorofenoksyoctowy kwas|2,4-Dwuchlorofenoksyoctowy kwas (POLISH)|4-06-00-00908|Acetic acid, (2,4-dichlorophenoxy)-|Acetic acid, 2-(2,4-dichlorophenoxy)-|acide 2,4-dichloro phenoxyacetique|Acide 2,4-dichloro phenoxyacetique (FRENCH)|Acido 2,4 diclorofenoxiacetico|Acido(2,4-dicloro-fenossi)-acetico|Acido(2,4-dicloro-fenossi)-acet|15183-39-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020442 https://doi.org/10.22427/NTP-DATA-DTXSID0020442
ERPathway2016 ERPathway2016_1757 2,4-Dichlorophenoxyacetic acid 94-75-7 DTXSID0020442 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-Dichlorophenoxyacetic acid 94-75-7|2,4-Dichlorophenoxyacetic acid|(2, 4-Dichlorophenoxy)acetic acid|(2,4-Dichloor-fenoxy)-azijnzuur|(2,4-Dichloor-fenoxy)-azijnzuur (DUTCH)|(2,4-Dichlor-phenoxy)-essigsaeure|(2,4-Dichlor-phenoxy)-essigsaeure (GERMAN)|(2,4-dichlorophenoxy)-Acetic acid|(2,4-Dichlorophenoxy)acetic acid|(2,4-dichlorophenoxy)acetic acid (ACD/Name 4.0)|(2,4-Dichlorophenyloxy)acetic acid|(2,4-Dichlorphenoxy)acetic acid|(2,4-Dichlorphenoxy)essigsaeure|(2,4-Dichlorphenoxy)essigsaure|(Dichlorophenoxy)acetic acid|2-(2,4-dichlorophenoxy)acetic acid|2,4-D|2,4-D [acetic acid, (2,4-dichlorophenoxy)-]|2,4-D acid|2,4-D Mecoprop|2,4-Dichlorophenoxyacetate|2,4-Dichlorophenoxyethanoic acid|2,4-Dichlorphenoxyessigsaeure|2,4-Dichlorphenoxyessigsaure|2,4-Dwuchlorofenoksyoctowy kwas|2,4-Dwuchlorofenoksyoctowy kwas (POLISH)|4-06-00-00908|Acetic acid, (2,4-dichlorophenoxy)-|Acetic acid, 2-(2,4-dichlorophenoxy)-|acide 2,4-dichloro phenoxyacetique|Acide 2,4-dichloro phenoxyacetique (FRENCH)|Acido 2,4 diclorofenoxiacetico|Acido(2,4-dicloro-fenossi)-acetico|Acido(2,4-dicloro-fenossi)-acet|15183-39-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020442 https://doi.org/10.22427/NTP-DATA-DTXSID0020442
ERPathway2016 ERPathway2016_1757 2,4-Dichlorophenoxyacetic acid 94-75-7 DTXSID0020442 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-Dichlorophenoxyacetic acid 94-75-7|2,4-Dichlorophenoxyacetic acid|(2, 4-Dichlorophenoxy)acetic acid|(2,4-Dichloor-fenoxy)-azijnzuur|(2,4-Dichloor-fenoxy)-azijnzuur (DUTCH)|(2,4-Dichlor-phenoxy)-essigsaeure|(2,4-Dichlor-phenoxy)-essigsaeure (GERMAN)|(2,4-dichlorophenoxy)-Acetic acid|(2,4-Dichlorophenoxy)acetic acid|(2,4-dichlorophenoxy)acetic acid (ACD/Name 4.0)|(2,4-Dichlorophenyloxy)acetic acid|(2,4-Dichlorphenoxy)acetic acid|(2,4-Dichlorphenoxy)essigsaeure|(2,4-Dichlorphenoxy)essigsaure|(Dichlorophenoxy)acetic acid|2-(2,4-dichlorophenoxy)acetic acid|2,4-D|2,4-D [acetic acid, (2,4-dichlorophenoxy)-]|2,4-D acid|2,4-D Mecoprop|2,4-Dichlorophenoxyacetate|2,4-Dichlorophenoxyethanoic acid|2,4-Dichlorphenoxyessigsaeure|2,4-Dichlorphenoxyessigsaure|2,4-Dwuchlorofenoksyoctowy kwas|2,4-Dwuchlorofenoksyoctowy kwas (POLISH)|4-06-00-00908|Acetic acid, (2,4-dichlorophenoxy)-|Acetic acid, 2-(2,4-dichlorophenoxy)-|acide 2,4-dichloro phenoxyacetique|Acide 2,4-dichloro phenoxyacetique (FRENCH)|Acido 2,4 diclorofenoxiacetico|Acido(2,4-dicloro-fenossi)-acetico|Acido(2,4-dicloro-fenossi)-acet|15183-39-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020442 https://doi.org/10.22427/NTP-DATA-DTXSID0020442
ERPathway2016 ERPathway2016_1757 2,4-Dichlorophenoxyacetic acid 94-75-7 DTXSID0020442 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)COC1=C(Cl)C=C(Cl)C=C1 2,4-Dichlorophenoxyacetic acid 94-75-7|2,4-Dichlorophenoxyacetic acid|(2, 4-Dichlorophenoxy)acetic acid|(2,4-Dichloor-fenoxy)-azijnzuur|(2,4-Dichloor-fenoxy)-azijnzuur (DUTCH)|(2,4-Dichlor-phenoxy)-essigsaeure|(2,4-Dichlor-phenoxy)-essigsaeure (GERMAN)|(2,4-dichlorophenoxy)-Acetic acid|(2,4-Dichlorophenoxy)acetic acid|(2,4-dichlorophenoxy)acetic acid (ACD/Name 4.0)|(2,4-Dichlorophenyloxy)acetic acid|(2,4-Dichlorphenoxy)acetic acid|(2,4-Dichlorphenoxy)essigsaeure|(2,4-Dichlorphenoxy)essigsaure|(Dichlorophenoxy)acetic acid|2-(2,4-dichlorophenoxy)acetic acid|2,4-D|2,4-D [acetic acid, (2,4-dichlorophenoxy)-]|2,4-D acid|2,4-D Mecoprop|2,4-Dichlorophenoxyacetate|2,4-Dichlorophenoxyethanoic acid|2,4-Dichlorphenoxyessigsaeure|2,4-Dichlorphenoxyessigsaure|2,4-Dwuchlorofenoksyoctowy kwas|2,4-Dwuchlorofenoksyoctowy kwas (POLISH)|4-06-00-00908|Acetic acid, (2,4-dichlorophenoxy)-|Acetic acid, 2-(2,4-dichlorophenoxy)-|acide 2,4-dichloro phenoxyacetique|Acide 2,4-dichloro phenoxyacetique (FRENCH)|Acido 2,4 diclorofenoxiacetico|Acido(2,4-dicloro-fenossi)-acetico|Acido(2,4-dicloro-fenossi)-acet|15183-39-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020442 https://doi.org/10.22427/NTP-DATA-DTXSID0020442
ARPathway2016 ARPathway2016_1750 2,4-Dichlorophenoxybutyric acid 94-82-6 DTXSID7024035 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CCCOC1=CC=C(Cl)C=C1Cl 2,4-Dichlorophenoxybutyric acid 94-82-6|2,4-Dichlorophenoxybutyric acid|2,4-D butyric acid|2,4-DB|2,4-Dichlorophenoxybutyric acid|4-(2,4-DB)|4-(2,4-Dichlorophenoxy)butanoic acid|4-(2,4-Dichlorophenoxy)butyric acid|4-(2,4-Dichlorphenoxy)buttersaure|4-06-00-00927|acide 4-(2,4-dichlorophenoxy)butyrique|acido 4-(2,4-diclorofenoxi)butirico|BRN 1976809|Buratal|Butanoic acid, 4-(2,4-dichlorophenoxy)-|Butirex|Butormone|Butoxon|Butoxone|Butoxone amine|Butoxone ester|Butyrac|Butyrac 118|Butyrac 200|Butyrac ester|Butyric acid, 4-(2,4-dichlorophenoxy)-|Caswell No. 316|EINECS 202-366-9|EPA Pesticide Chemical Code 030801|gamma-(2,4-dichlorophenoxy)-butanoic acid|gamma-(2,4-dichlorophenoxy)-butyric acid|gamma-(2,4-dichlorophenoxy)butanoic acid|gamma-(2,4-Dichlorophenoxy)butyric acid|Kyselina 4-(2,4-dichlorfenoxy)maselna|Legumex|Legumex D|NSC 70337|Sys 67 Buratal|UNII-SL314DW868|g-(2,4-Dichlorophenoxy)butyric acid|G-(2,4-DICHLORPHENOXY)-BUTTERSAEURE https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024035
ARPathway2016 ARPathway2016_1750 2,4-Dichlorophenoxybutyric acid 94-82-6 DTXSID7024035 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)CCCOC1=CC=C(Cl)C=C1Cl 2,4-Dichlorophenoxybutyric acid 94-82-6|2,4-Dichlorophenoxybutyric acid|2,4-D butyric acid|2,4-DB|2,4-Dichlorophenoxybutyric acid|4-(2,4-DB)|4-(2,4-Dichlorophenoxy)butanoic acid|4-(2,4-Dichlorophenoxy)butyric acid|4-(2,4-Dichlorphenoxy)buttersaure|4-06-00-00927|acide 4-(2,4-dichlorophenoxy)butyrique|acido 4-(2,4-diclorofenoxi)butirico|BRN 1976809|Buratal|Butanoic acid, 4-(2,4-dichlorophenoxy)-|Butirex|Butormone|Butoxon|Butoxone|Butoxone amine|Butoxone ester|Butyrac|Butyrac 118|Butyrac 200|Butyrac ester|Butyric acid, 4-(2,4-dichlorophenoxy)-|Caswell No. 316|EINECS 202-366-9|EPA Pesticide Chemical Code 030801|gamma-(2,4-dichlorophenoxy)-butanoic acid|gamma-(2,4-dichlorophenoxy)-butyric acid|gamma-(2,4-dichlorophenoxy)butanoic acid|gamma-(2,4-Dichlorophenoxy)butyric acid|Kyselina 4-(2,4-dichlorfenoxy)maselna|Legumex|Legumex D|NSC 70337|Sys 67 Buratal|UNII-SL314DW868|g-(2,4-Dichlorophenoxy)butyric acid|G-(2,4-DICHLORPHENOXY)-BUTTERSAEURE https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024035
ARPathway2016 ARPathway2016_1750 2,4-Dichlorophenoxybutyric acid 94-82-6 DTXSID7024035 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)CCCOC1=CC=C(Cl)C=C1Cl 2,4-Dichlorophenoxybutyric acid 94-82-6|2,4-Dichlorophenoxybutyric acid|2,4-D butyric acid|2,4-DB|2,4-Dichlorophenoxybutyric acid|4-(2,4-DB)|4-(2,4-Dichlorophenoxy)butanoic acid|4-(2,4-Dichlorophenoxy)butyric acid|4-(2,4-Dichlorphenoxy)buttersaure|4-06-00-00927|acide 4-(2,4-dichlorophenoxy)butyrique|acido 4-(2,4-diclorofenoxi)butirico|BRN 1976809|Buratal|Butanoic acid, 4-(2,4-dichlorophenoxy)-|Butirex|Butormone|Butoxon|Butoxone|Butoxone amine|Butoxone ester|Butyrac|Butyrac 118|Butyrac 200|Butyrac ester|Butyric acid, 4-(2,4-dichlorophenoxy)-|Caswell No. 316|EINECS 202-366-9|EPA Pesticide Chemical Code 030801|gamma-(2,4-dichlorophenoxy)-butanoic acid|gamma-(2,4-dichlorophenoxy)-butyric acid|gamma-(2,4-dichlorophenoxy)butanoic acid|gamma-(2,4-Dichlorophenoxy)butyric acid|Kyselina 4-(2,4-dichlorfenoxy)maselna|Legumex|Legumex D|NSC 70337|Sys 67 Buratal|UNII-SL314DW868|g-(2,4-Dichlorophenoxy)butyric acid|G-(2,4-DICHLORPHENOXY)-BUTTERSAEURE https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024035
ARPathway2016 ARPathway2016_1750 2,4-Dichlorophenoxybutyric acid 94-82-6 DTXSID7024035 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)CCCOC1=CC=C(Cl)C=C1Cl 2,4-Dichlorophenoxybutyric acid 94-82-6|2,4-Dichlorophenoxybutyric acid|2,4-D butyric acid|2,4-DB|2,4-Dichlorophenoxybutyric acid|4-(2,4-DB)|4-(2,4-Dichlorophenoxy)butanoic acid|4-(2,4-Dichlorophenoxy)butyric acid|4-(2,4-Dichlorphenoxy)buttersaure|4-06-00-00927|acide 4-(2,4-dichlorophenoxy)butyrique|acido 4-(2,4-diclorofenoxi)butirico|BRN 1976809|Buratal|Butanoic acid, 4-(2,4-dichlorophenoxy)-|Butirex|Butormone|Butoxon|Butoxone|Butoxone amine|Butoxone ester|Butyrac|Butyrac 118|Butyrac 200|Butyrac ester|Butyric acid, 4-(2,4-dichlorophenoxy)-|Caswell No. 316|EINECS 202-366-9|EPA Pesticide Chemical Code 030801|gamma-(2,4-dichlorophenoxy)-butanoic acid|gamma-(2,4-dichlorophenoxy)-butyric acid|gamma-(2,4-dichlorophenoxy)butanoic acid|gamma-(2,4-Dichlorophenoxy)butyric acid|Kyselina 4-(2,4-dichlorfenoxy)maselna|Legumex|Legumex D|NSC 70337|Sys 67 Buratal|UNII-SL314DW868|g-(2,4-Dichlorophenoxy)butyric acid|G-(2,4-DICHLORPHENOXY)-BUTTERSAEURE https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024035
ERPathway2016 ERPathway2016_1759 2,4-Dichlorophenoxybutyric acid 94-82-6 DTXSID7024035 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)CCCOC1=CC=C(Cl)C=C1Cl 2,4-Dichlorophenoxybutyric acid 94-82-6|2,4-Dichlorophenoxybutyric acid|2,4-D butyric acid|2,4-DB|2,4-Dichlorophenoxybutyric acid|4-(2,4-DB)|4-(2,4-Dichlorophenoxy)butanoic acid|4-(2,4-Dichlorophenoxy)butyric acid|4-(2,4-Dichlorphenoxy)buttersaure|4-06-00-00927|acide 4-(2,4-dichlorophenoxy)butyrique|acido 4-(2,4-diclorofenoxi)butirico|BRN 1976809|Buratal|Butanoic acid, 4-(2,4-dichlorophenoxy)-|Butirex|Butormone|Butoxon|Butoxone|Butoxone amine|Butoxone ester|Butyrac|Butyrac 118|Butyrac 200|Butyrac ester|Butyric acid, 4-(2,4-dichlorophenoxy)-|Caswell No. 316|EINECS 202-366-9|EPA Pesticide Chemical Code 030801|gamma-(2,4-dichlorophenoxy)-butanoic acid|gamma-(2,4-dichlorophenoxy)-butyric acid|gamma-(2,4-dichlorophenoxy)butanoic acid|gamma-(2,4-Dichlorophenoxy)butyric acid|Kyselina 4-(2,4-dichlorfenoxy)maselna|Legumex|Legumex D|NSC 70337|Sys 67 Buratal|UNII-SL314DW868|g-(2,4-Dichlorophenoxy)butyric acid|G-(2,4-DICHLORPHENOXY)-BUTTERSAEURE https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024035
ERPathway2016 ERPathway2016_1759 2,4-Dichlorophenoxybutyric acid 94-82-6 DTXSID7024035 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CCCOC1=CC=C(Cl)C=C1Cl 2,4-Dichlorophenoxybutyric acid 94-82-6|2,4-Dichlorophenoxybutyric acid|2,4-D butyric acid|2,4-DB|2,4-Dichlorophenoxybutyric acid|4-(2,4-DB)|4-(2,4-Dichlorophenoxy)butanoic acid|4-(2,4-Dichlorophenoxy)butyric acid|4-(2,4-Dichlorphenoxy)buttersaure|4-06-00-00927|acide 4-(2,4-dichlorophenoxy)butyrique|acido 4-(2,4-diclorofenoxi)butirico|BRN 1976809|Buratal|Butanoic acid, 4-(2,4-dichlorophenoxy)-|Butirex|Butormone|Butoxon|Butoxone|Butoxone amine|Butoxone ester|Butyrac|Butyrac 118|Butyrac 200|Butyrac ester|Butyric acid, 4-(2,4-dichlorophenoxy)-|Caswell No. 316|EINECS 202-366-9|EPA Pesticide Chemical Code 030801|gamma-(2,4-dichlorophenoxy)-butanoic acid|gamma-(2,4-dichlorophenoxy)-butyric acid|gamma-(2,4-dichlorophenoxy)butanoic acid|gamma-(2,4-Dichlorophenoxy)butyric acid|Kyselina 4-(2,4-dichlorfenoxy)maselna|Legumex|Legumex D|NSC 70337|Sys 67 Buratal|UNII-SL314DW868|g-(2,4-Dichlorophenoxy)butyric acid|G-(2,4-DICHLORPHENOXY)-BUTTERSAEURE https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024035
ERPathway2016 ERPathway2016_1759 2,4-Dichlorophenoxybutyric acid 94-82-6 DTXSID7024035 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)CCCOC1=CC=C(Cl)C=C1Cl 2,4-Dichlorophenoxybutyric acid 94-82-6|2,4-Dichlorophenoxybutyric acid|2,4-D butyric acid|2,4-DB|2,4-Dichlorophenoxybutyric acid|4-(2,4-DB)|4-(2,4-Dichlorophenoxy)butanoic acid|4-(2,4-Dichlorophenoxy)butyric acid|4-(2,4-Dichlorphenoxy)buttersaure|4-06-00-00927|acide 4-(2,4-dichlorophenoxy)butyrique|acido 4-(2,4-diclorofenoxi)butirico|BRN 1976809|Buratal|Butanoic acid, 4-(2,4-dichlorophenoxy)-|Butirex|Butormone|Butoxon|Butoxone|Butoxone amine|Butoxone ester|Butyrac|Butyrac 118|Butyrac 200|Butyrac ester|Butyric acid, 4-(2,4-dichlorophenoxy)-|Caswell No. 316|EINECS 202-366-9|EPA Pesticide Chemical Code 030801|gamma-(2,4-dichlorophenoxy)-butanoic acid|gamma-(2,4-dichlorophenoxy)-butyric acid|gamma-(2,4-dichlorophenoxy)butanoic acid|gamma-(2,4-Dichlorophenoxy)butyric acid|Kyselina 4-(2,4-dichlorfenoxy)maselna|Legumex|Legumex D|NSC 70337|Sys 67 Buratal|UNII-SL314DW868|g-(2,4-Dichlorophenoxy)butyric acid|G-(2,4-DICHLORPHENOXY)-BUTTERSAEURE https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024035
ERPathway2016 ERPathway2016_1759 2,4-Dichlorophenoxybutyric acid 94-82-6 DTXSID7024035 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)CCCOC1=CC=C(Cl)C=C1Cl 2,4-Dichlorophenoxybutyric acid 94-82-6|2,4-Dichlorophenoxybutyric acid|2,4-D butyric acid|2,4-DB|2,4-Dichlorophenoxybutyric acid|4-(2,4-DB)|4-(2,4-Dichlorophenoxy)butanoic acid|4-(2,4-Dichlorophenoxy)butyric acid|4-(2,4-Dichlorphenoxy)buttersaure|4-06-00-00927|acide 4-(2,4-dichlorophenoxy)butyrique|acido 4-(2,4-diclorofenoxi)butirico|BRN 1976809|Buratal|Butanoic acid, 4-(2,4-dichlorophenoxy)-|Butirex|Butormone|Butoxon|Butoxone|Butoxone amine|Butoxone ester|Butyrac|Butyrac 118|Butyrac 200|Butyrac ester|Butyric acid, 4-(2,4-dichlorophenoxy)-|Caswell No. 316|EINECS 202-366-9|EPA Pesticide Chemical Code 030801|gamma-(2,4-dichlorophenoxy)-butanoic acid|gamma-(2,4-dichlorophenoxy)-butyric acid|gamma-(2,4-dichlorophenoxy)butanoic acid|gamma-(2,4-Dichlorophenoxy)butyric acid|Kyselina 4-(2,4-dichlorfenoxy)maselna|Legumex|Legumex D|NSC 70337|Sys 67 Buratal|UNII-SL314DW868|g-(2,4-Dichlorophenoxy)butyric acid|G-(2,4-DICHLORPHENOXY)-BUTTERSAEURE https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024035
ARPathway2016 ARPathway2016_53 2,4-Dihydroxybenzophenone 131-56-6 DTXSID8022406 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 34.39020033 uM OC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2,4-Dihydroxybenzophenone 131-56-6|2,4-Dihydroxybenzophenone|(2,4-Dihydroxyphenyl)phenylmethanone|2,4-dihidroxibenzofenona|2,4-DIHYDROXY BENZOPHENONE|2,4-Dihydroxybenzofenon|2,4-Dihydroxybenzophenon|4-Benzoyl Resorcinol|4-benzoylbenzene-1,3-diol|4-Benzoylresorcinol|Advastab 48|Benzophenone 1|BENZOPHENONE-1|BENZOPHENONE, 2,4-DIHYDROXY-|Benzoresorcinol|BRN 1311566|Eastman inhibitor DHPB|EINECS 205-029-4|Eversorb 10|Inhibitor DHBP|Lowilite 24|METHANONE-(2,4-DIHYDROXYPHENYL)PHENYL-|Methanone, (2,4-dihydroxyphenyl)phenyl|Methanone, (2,4-dihydroxyphenyl)phenyl-|Methanone,(2,4-dihydroxyphenyl)phenyl|Methennone,(2,4-dihydroxyphenyl)phenyl|NSC 38555|NSC 5358|Quinsorb 010|Resbenzophenone|Sanduvor 3041|Seesorb 100|Sumisorb 100|Syntase 100|Ultrafast 800|UNII-LJ54R4Z029|Uvasorb 20H|Uvinul 3000|Uvinul M 400|Viosorb 100|120920-25-4|1341-53-3|73468-18-5|86280-86-6|895160-29-9|92092-63-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022406
ARPathway2016 ARPathway2016_53 2,4-Dihydroxybenzophenone 131-56-6 DTXSID8022406 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 51.0036157523565 uM OC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2,4-Dihydroxybenzophenone 131-56-6|2,4-Dihydroxybenzophenone|(2,4-Dihydroxyphenyl)phenylmethanone|2,4-dihidroxibenzofenona|2,4-DIHYDROXY BENZOPHENONE|2,4-Dihydroxybenzofenon|2,4-Dihydroxybenzophenon|4-Benzoyl Resorcinol|4-benzoylbenzene-1,3-diol|4-Benzoylresorcinol|Advastab 48|Benzophenone 1|BENZOPHENONE-1|BENZOPHENONE, 2,4-DIHYDROXY-|Benzoresorcinol|BRN 1311566|Eastman inhibitor DHPB|EINECS 205-029-4|Eversorb 10|Inhibitor DHBP|Lowilite 24|METHANONE-(2,4-DIHYDROXYPHENYL)PHENYL-|Methanone, (2,4-dihydroxyphenyl)phenyl|Methanone, (2,4-dihydroxyphenyl)phenyl-|Methanone,(2,4-dihydroxyphenyl)phenyl|Methennone,(2,4-dihydroxyphenyl)phenyl|NSC 38555|NSC 5358|Quinsorb 010|Resbenzophenone|Sanduvor 3041|Seesorb 100|Sumisorb 100|Syntase 100|Ultrafast 800|UNII-LJ54R4Z029|Uvasorb 20H|Uvinul 3000|Uvinul M 400|Viosorb 100|120920-25-4|1341-53-3|73468-18-5|86280-86-6|895160-29-9|92092-63-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022406
ARPathway2016 ARPathway2016_53 2,4-Dihydroxybenzophenone 131-56-6 DTXSID8022406 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.206 Unitless OC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2,4-Dihydroxybenzophenone 131-56-6|2,4-Dihydroxybenzophenone|(2,4-Dihydroxyphenyl)phenylmethanone|2,4-dihidroxibenzofenona|2,4-DIHYDROXY BENZOPHENONE|2,4-Dihydroxybenzofenon|2,4-Dihydroxybenzophenon|4-Benzoyl Resorcinol|4-benzoylbenzene-1,3-diol|4-Benzoylresorcinol|Advastab 48|Benzophenone 1|BENZOPHENONE-1|BENZOPHENONE, 2,4-DIHYDROXY-|Benzoresorcinol|BRN 1311566|Eastman inhibitor DHPB|EINECS 205-029-4|Eversorb 10|Inhibitor DHBP|Lowilite 24|METHANONE-(2,4-DIHYDROXYPHENYL)PHENYL-|Methanone, (2,4-dihydroxyphenyl)phenyl|Methanone, (2,4-dihydroxyphenyl)phenyl-|Methanone,(2,4-dihydroxyphenyl)phenyl|Methennone,(2,4-dihydroxyphenyl)phenyl|NSC 38555|NSC 5358|Quinsorb 010|Resbenzophenone|Sanduvor 3041|Seesorb 100|Sumisorb 100|Syntase 100|Ultrafast 800|UNII-LJ54R4Z029|Uvasorb 20H|Uvinul 3000|Uvinul M 400|Viosorb 100|120920-25-4|1341-53-3|73468-18-5|86280-86-6|895160-29-9|92092-63-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022406
ARPathway2016 ARPathway2016_53 2,4-Dihydroxybenzophenone 131-56-6 DTXSID8022406 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2,4-Dihydroxybenzophenone 131-56-6|2,4-Dihydroxybenzophenone|(2,4-Dihydroxyphenyl)phenylmethanone|2,4-dihidroxibenzofenona|2,4-DIHYDROXY BENZOPHENONE|2,4-Dihydroxybenzofenon|2,4-Dihydroxybenzophenon|4-Benzoyl Resorcinol|4-benzoylbenzene-1,3-diol|4-Benzoylresorcinol|Advastab 48|Benzophenone 1|BENZOPHENONE-1|BENZOPHENONE, 2,4-DIHYDROXY-|Benzoresorcinol|BRN 1311566|Eastman inhibitor DHPB|EINECS 205-029-4|Eversorb 10|Inhibitor DHBP|Lowilite 24|METHANONE-(2,4-DIHYDROXYPHENYL)PHENYL-|Methanone, (2,4-dihydroxyphenyl)phenyl|Methanone, (2,4-dihydroxyphenyl)phenyl-|Methanone,(2,4-dihydroxyphenyl)phenyl|Methennone,(2,4-dihydroxyphenyl)phenyl|NSC 38555|NSC 5358|Quinsorb 010|Resbenzophenone|Sanduvor 3041|Seesorb 100|Sumisorb 100|Syntase 100|Ultrafast 800|UNII-LJ54R4Z029|Uvasorb 20H|Uvinul 3000|Uvinul M 400|Viosorb 100|120920-25-4|1341-53-3|73468-18-5|86280-86-6|895160-29-9|92092-63-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022406
ARPathway2016 ARPathway2016_53 2,4-Dihydroxybenzophenone 131-56-6 DTXSID8022406 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2,4-Dihydroxybenzophenone 131-56-6|2,4-Dihydroxybenzophenone|(2,4-Dihydroxyphenyl)phenylmethanone|2,4-dihidroxibenzofenona|2,4-DIHYDROXY BENZOPHENONE|2,4-Dihydroxybenzofenon|2,4-Dihydroxybenzophenon|4-Benzoyl Resorcinol|4-benzoylbenzene-1,3-diol|4-Benzoylresorcinol|Advastab 48|Benzophenone 1|BENZOPHENONE-1|BENZOPHENONE, 2,4-DIHYDROXY-|Benzoresorcinol|BRN 1311566|Eastman inhibitor DHPB|EINECS 205-029-4|Eversorb 10|Inhibitor DHBP|Lowilite 24|METHANONE-(2,4-DIHYDROXYPHENYL)PHENYL-|Methanone, (2,4-dihydroxyphenyl)phenyl|Methanone, (2,4-dihydroxyphenyl)phenyl-|Methanone,(2,4-dihydroxyphenyl)phenyl|Methennone,(2,4-dihydroxyphenyl)phenyl|NSC 38555|NSC 5358|Quinsorb 010|Resbenzophenone|Sanduvor 3041|Seesorb 100|Sumisorb 100|Syntase 100|Ultrafast 800|UNII-LJ54R4Z029|Uvasorb 20H|Uvinul 3000|Uvinul M 400|Viosorb 100|120920-25-4|1341-53-3|73468-18-5|86280-86-6|895160-29-9|92092-63-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022406
ARPathway2016 ARPathway2016_53 2,4-Dihydroxybenzophenone 131-56-6 DTXSID8022406 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2,4-Dihydroxybenzophenone 131-56-6|2,4-Dihydroxybenzophenone|(2,4-Dihydroxyphenyl)phenylmethanone|2,4-dihidroxibenzofenona|2,4-DIHYDROXY BENZOPHENONE|2,4-Dihydroxybenzofenon|2,4-Dihydroxybenzophenon|4-Benzoyl Resorcinol|4-benzoylbenzene-1,3-diol|4-Benzoylresorcinol|Advastab 48|Benzophenone 1|BENZOPHENONE-1|BENZOPHENONE, 2,4-DIHYDROXY-|Benzoresorcinol|BRN 1311566|Eastman inhibitor DHPB|EINECS 205-029-4|Eversorb 10|Inhibitor DHBP|Lowilite 24|METHANONE-(2,4-DIHYDROXYPHENYL)PHENYL-|Methanone, (2,4-dihydroxyphenyl)phenyl|Methanone, (2,4-dihydroxyphenyl)phenyl-|Methanone,(2,4-dihydroxyphenyl)phenyl|Methennone,(2,4-dihydroxyphenyl)phenyl|NSC 38555|NSC 5358|Quinsorb 010|Resbenzophenone|Sanduvor 3041|Seesorb 100|Sumisorb 100|Syntase 100|Ultrafast 800|UNII-LJ54R4Z029|Uvasorb 20H|Uvinul 3000|Uvinul M 400|Viosorb 100|120920-25-4|1341-53-3|73468-18-5|86280-86-6|895160-29-9|92092-63-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022406
ERPathway2016 ERPathway2016_186 2,4-Dihydroxybenzophenone 131-56-6 DTXSID8022406 Agonist ER Pathway Model, Antagonist AC50 7.43527845846393 uM OC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2,4-Dihydroxybenzophenone 131-56-6|2,4-Dihydroxybenzophenone|(2,4-Dihydroxyphenyl)phenylmethanone|2,4-dihidroxibenzofenona|2,4-DIHYDROXY BENZOPHENONE|2,4-Dihydroxybenzofenon|2,4-Dihydroxybenzophenon|4-Benzoyl Resorcinol|4-benzoylbenzene-1,3-diol|4-Benzoylresorcinol|Advastab 48|Benzophenone 1|BENZOPHENONE-1|BENZOPHENONE, 2,4-DIHYDROXY-|Benzoresorcinol|BRN 1311566|Eastman inhibitor DHPB|EINECS 205-029-4|Eversorb 10|Inhibitor DHBP|Lowilite 24|METHANONE-(2,4-DIHYDROXYPHENYL)PHENYL-|Methanone, (2,4-dihydroxyphenyl)phenyl|Methanone, (2,4-dihydroxyphenyl)phenyl-|Methanone,(2,4-dihydroxyphenyl)phenyl|Methennone,(2,4-dihydroxyphenyl)phenyl|NSC 38555|NSC 5358|Quinsorb 010|Resbenzophenone|Sanduvor 3041|Seesorb 100|Sumisorb 100|Syntase 100|Ultrafast 800|UNII-LJ54R4Z029|Uvasorb 20H|Uvinul 3000|Uvinul M 400|Viosorb 100|120920-25-4|1341-53-3|73468-18-5|86280-86-6|895160-29-9|92092-63-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022406
ERPathway2016 ERPathway2016_186 2,4-Dihydroxybenzophenone 131-56-6 DTXSID8022406 Agonist ER Pathway Model, Antagonist ACC 1.90935792042159 uM OC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2,4-Dihydroxybenzophenone 131-56-6|2,4-Dihydroxybenzophenone|(2,4-Dihydroxyphenyl)phenylmethanone|2,4-dihidroxibenzofenona|2,4-DIHYDROXY BENZOPHENONE|2,4-Dihydroxybenzofenon|2,4-Dihydroxybenzophenon|4-Benzoyl Resorcinol|4-benzoylbenzene-1,3-diol|4-Benzoylresorcinol|Advastab 48|Benzophenone 1|BENZOPHENONE-1|BENZOPHENONE, 2,4-DIHYDROXY-|Benzoresorcinol|BRN 1311566|Eastman inhibitor DHPB|EINECS 205-029-4|Eversorb 10|Inhibitor DHBP|Lowilite 24|METHANONE-(2,4-DIHYDROXYPHENYL)PHENYL-|Methanone, (2,4-dihydroxyphenyl)phenyl|Methanone, (2,4-dihydroxyphenyl)phenyl-|Methanone,(2,4-dihydroxyphenyl)phenyl|Methennone,(2,4-dihydroxyphenyl)phenyl|NSC 38555|NSC 5358|Quinsorb 010|Resbenzophenone|Sanduvor 3041|Seesorb 100|Sumisorb 100|Syntase 100|Ultrafast 800|UNII-LJ54R4Z029|Uvasorb 20H|Uvinul 3000|Uvinul M 400|Viosorb 100|120920-25-4|1341-53-3|73468-18-5|86280-86-6|895160-29-9|92092-63-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022406
ERPathway2016 ERPathway2016_186 2,4-Dihydroxybenzophenone 131-56-6 DTXSID8022406 Agonist ER Pathway Model, Agonist Model Score 0.266 Unitless OC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2,4-Dihydroxybenzophenone 131-56-6|2,4-Dihydroxybenzophenone|(2,4-Dihydroxyphenyl)phenylmethanone|2,4-dihidroxibenzofenona|2,4-DIHYDROXY BENZOPHENONE|2,4-Dihydroxybenzofenon|2,4-Dihydroxybenzophenon|4-Benzoyl Resorcinol|4-benzoylbenzene-1,3-diol|4-Benzoylresorcinol|Advastab 48|Benzophenone 1|BENZOPHENONE-1|BENZOPHENONE, 2,4-DIHYDROXY-|Benzoresorcinol|BRN 1311566|Eastman inhibitor DHPB|EINECS 205-029-4|Eversorb 10|Inhibitor DHBP|Lowilite 24|METHANONE-(2,4-DIHYDROXYPHENYL)PHENYL-|Methanone, (2,4-dihydroxyphenyl)phenyl|Methanone, (2,4-dihydroxyphenyl)phenyl-|Methanone,(2,4-dihydroxyphenyl)phenyl|Methennone,(2,4-dihydroxyphenyl)phenyl|NSC 38555|NSC 5358|Quinsorb 010|Resbenzophenone|Sanduvor 3041|Seesorb 100|Sumisorb 100|Syntase 100|Ultrafast 800|UNII-LJ54R4Z029|Uvasorb 20H|Uvinul 3000|Uvinul M 400|Viosorb 100|120920-25-4|1341-53-3|73468-18-5|86280-86-6|895160-29-9|92092-63-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022406
ERPathway2016 ERPathway2016_186 2,4-Dihydroxybenzophenone 131-56-6 DTXSID8022406 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2,4-Dihydroxybenzophenone 131-56-6|2,4-Dihydroxybenzophenone|(2,4-Dihydroxyphenyl)phenylmethanone|2,4-dihidroxibenzofenona|2,4-DIHYDROXY BENZOPHENONE|2,4-Dihydroxybenzofenon|2,4-Dihydroxybenzophenon|4-Benzoyl Resorcinol|4-benzoylbenzene-1,3-diol|4-Benzoylresorcinol|Advastab 48|Benzophenone 1|BENZOPHENONE-1|BENZOPHENONE, 2,4-DIHYDROXY-|Benzoresorcinol|BRN 1311566|Eastman inhibitor DHPB|EINECS 205-029-4|Eversorb 10|Inhibitor DHBP|Lowilite 24|METHANONE-(2,4-DIHYDROXYPHENYL)PHENYL-|Methanone, (2,4-dihydroxyphenyl)phenyl|Methanone, (2,4-dihydroxyphenyl)phenyl-|Methanone,(2,4-dihydroxyphenyl)phenyl|Methennone,(2,4-dihydroxyphenyl)phenyl|NSC 38555|NSC 5358|Quinsorb 010|Resbenzophenone|Sanduvor 3041|Seesorb 100|Sumisorb 100|Syntase 100|Ultrafast 800|UNII-LJ54R4Z029|Uvasorb 20H|Uvinul 3000|Uvinul M 400|Viosorb 100|120920-25-4|1341-53-3|73468-18-5|86280-86-6|895160-29-9|92092-63-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022406
ERPathway2016 ERPathway2016_186 2,4-Dihydroxybenzophenone 131-56-6 DTXSID8022406 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2,4-Dihydroxybenzophenone 131-56-6|2,4-Dihydroxybenzophenone|(2,4-Dihydroxyphenyl)phenylmethanone|2,4-dihidroxibenzofenona|2,4-DIHYDROXY BENZOPHENONE|2,4-Dihydroxybenzofenon|2,4-Dihydroxybenzophenon|4-Benzoyl Resorcinol|4-benzoylbenzene-1,3-diol|4-Benzoylresorcinol|Advastab 48|Benzophenone 1|BENZOPHENONE-1|BENZOPHENONE, 2,4-DIHYDROXY-|Benzoresorcinol|BRN 1311566|Eastman inhibitor DHPB|EINECS 205-029-4|Eversorb 10|Inhibitor DHBP|Lowilite 24|METHANONE-(2,4-DIHYDROXYPHENYL)PHENYL-|Methanone, (2,4-dihydroxyphenyl)phenyl|Methanone, (2,4-dihydroxyphenyl)phenyl-|Methanone,(2,4-dihydroxyphenyl)phenyl|Methennone,(2,4-dihydroxyphenyl)phenyl|NSC 38555|NSC 5358|Quinsorb 010|Resbenzophenone|Sanduvor 3041|Seesorb 100|Sumisorb 100|Syntase 100|Ultrafast 800|UNII-LJ54R4Z029|Uvasorb 20H|Uvinul 3000|Uvinul M 400|Viosorb 100|120920-25-4|1341-53-3|73468-18-5|86280-86-6|895160-29-9|92092-63-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022406
ERPathway2016 ERPathway2016_186 2,4-Dihydroxybenzophenone 131-56-6 DTXSID8022406 Agonist ER Pathway Model, Antagonist Call Active Unitless OC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2,4-Dihydroxybenzophenone 131-56-6|2,4-Dihydroxybenzophenone|(2,4-Dihydroxyphenyl)phenylmethanone|2,4-dihidroxibenzofenona|2,4-DIHYDROXY BENZOPHENONE|2,4-Dihydroxybenzofenon|2,4-Dihydroxybenzophenon|4-Benzoyl Resorcinol|4-benzoylbenzene-1,3-diol|4-Benzoylresorcinol|Advastab 48|Benzophenone 1|BENZOPHENONE-1|BENZOPHENONE, 2,4-DIHYDROXY-|Benzoresorcinol|BRN 1311566|Eastman inhibitor DHPB|EINECS 205-029-4|Eversorb 10|Inhibitor DHBP|Lowilite 24|METHANONE-(2,4-DIHYDROXYPHENYL)PHENYL-|Methanone, (2,4-dihydroxyphenyl)phenyl|Methanone, (2,4-dihydroxyphenyl)phenyl-|Methanone,(2,4-dihydroxyphenyl)phenyl|Methennone,(2,4-dihydroxyphenyl)phenyl|NSC 38555|NSC 5358|Quinsorb 010|Resbenzophenone|Sanduvor 3041|Seesorb 100|Sumisorb 100|Syntase 100|Ultrafast 800|UNII-LJ54R4Z029|Uvasorb 20H|Uvinul 3000|Uvinul M 400|Viosorb 100|120920-25-4|1341-53-3|73468-18-5|86280-86-6|895160-29-9|92092-63-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022406
ARPathway2016 ARPathway2016_1112 2,4-Diisopropylphenol 2934-05-6 DTXSID7042273 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC(C(C)C)=C(O)C=C1 2,4-Diisopropylphenol 2934-05-6|2,4-Diisopropylphenol|4-06-00-03438|BRN 1864621|EINECS 220-906-1|UNII-YD41XSG2L8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042273
ARPathway2016 ARPathway2016_1112 2,4-Diisopropylphenol 2934-05-6 DTXSID7042273 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CC(C(C)C)=C(O)C=C1 2,4-Diisopropylphenol 2934-05-6|2,4-Diisopropylphenol|4-06-00-03438|BRN 1864621|EINECS 220-906-1|UNII-YD41XSG2L8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042273
ARPathway2016 ARPathway2016_1112 2,4-Diisopropylphenol 2934-05-6 DTXSID7042273 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC(C(C)C)=C(O)C=C1 2,4-Diisopropylphenol 2934-05-6|2,4-Diisopropylphenol|4-06-00-03438|BRN 1864621|EINECS 220-906-1|UNII-YD41XSG2L8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042273
ARPathway2016 ARPathway2016_1112 2,4-Diisopropylphenol 2934-05-6 DTXSID7042273 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC(C(C)C)=C(O)C=C1 2,4-Diisopropylphenol 2934-05-6|2,4-Diisopropylphenol|4-06-00-03438|BRN 1864621|EINECS 220-906-1|UNII-YD41XSG2L8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042273
ERPathway2016 ERPathway2016_445 2,4-Diisopropylphenol 2934-05-6 DTXSID7042273 R6 ER Pathway Model, Antagonist AC50 14.6078070448471 uM CC(C)C1=CC(C(C)C)=C(O)C=C1 2,4-Diisopropylphenol 2934-05-6|2,4-Diisopropylphenol|4-06-00-03438|BRN 1864621|EINECS 220-906-1|UNII-YD41XSG2L8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042273
ERPathway2016 ERPathway2016_445 2,4-Diisopropylphenol 2934-05-6 DTXSID7042273 R6 ER Pathway Model, Antagonist ACC 1.16104173495057 uM CC(C)C1=CC(C(C)C)=C(O)C=C1 2,4-Diisopropylphenol 2934-05-6|2,4-Diisopropylphenol|4-06-00-03438|BRN 1864621|EINECS 220-906-1|UNII-YD41XSG2L8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042273
ERPathway2016 ERPathway2016_445 2,4-Diisopropylphenol 2934-05-6 DTXSID7042273 R6 ER Pathway Model, Agonist Model Score 0.00488 Unitless CC(C)C1=CC(C(C)C)=C(O)C=C1 2,4-Diisopropylphenol 2934-05-6|2,4-Diisopropylphenol|4-06-00-03438|BRN 1864621|EINECS 220-906-1|UNII-YD41XSG2L8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042273
ERPathway2016 ERPathway2016_445 2,4-Diisopropylphenol 2934-05-6 DTXSID7042273 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC(C(C)C)=C(O)C=C1 2,4-Diisopropylphenol 2934-05-6|2,4-Diisopropylphenol|4-06-00-03438|BRN 1864621|EINECS 220-906-1|UNII-YD41XSG2L8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042273
ERPathway2016 ERPathway2016_445 2,4-Diisopropylphenol 2934-05-6 DTXSID7042273 R6 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC(C(C)C)=C(O)C=C1 2,4-Diisopropylphenol 2934-05-6|2,4-Diisopropylphenol|4-06-00-03438|BRN 1864621|EINECS 220-906-1|UNII-YD41XSG2L8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042273
ERPathway2016 ERPathway2016_445 2,4-Diisopropylphenol 2934-05-6 DTXSID7042273 R6 ER Pathway Model, Antagonist Call Active Unitless CC(C)C1=CC(C(C)C)=C(O)C=C1 2,4-Diisopropylphenol 2934-05-6|2,4-Diisopropylphenol|4-06-00-03438|BRN 1864621|EINECS 220-906-1|UNII-YD41XSG2L8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042273
ARPathway2016 ARPathway2016_461 2,4-Dimethylphenol 105-67-9 DTXSID2021864 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=C(O)C=C1 2,4-Dimethylphenol 105-67-9|2,4-Dimethylphenol|1-Hydroxy-2,4-dimethylbenzene|2,4-xilenol|2,4-Xylenol|4-06-00-03126|4-Hydroxy-1,3-dimethylbenzene|4,6-Dimethylphenol|Benzene, 2,4-dimethyl-1-hydroxy-|BRN 0636244|Bulk Lysol Brand Disinfectant|Caswell No. 907A|Du Cor Concentrated Fly Insecticide|EINECS 203-321-6|EPA Pesticide Chemical Code 086804|Gable-Tite Dark Creosote|Gable-Tite Light Creosote|Lysol Brand disinfectant|m-Xylenol|NSC 3829|Phenol, 2,4-dimethyl-|RCRA waste number U101|UNII-5OD803C081 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021864 https://doi.org/10.22427/NTP-DATA-DTXSID2021864
ARPathway2016 ARPathway2016_461 2,4-Dimethylphenol 105-67-9 DTXSID2021864 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=C(O)C=C1 2,4-Dimethylphenol 105-67-9|2,4-Dimethylphenol|1-Hydroxy-2,4-dimethylbenzene|2,4-xilenol|2,4-Xylenol|4-06-00-03126|4-Hydroxy-1,3-dimethylbenzene|4,6-Dimethylphenol|Benzene, 2,4-dimethyl-1-hydroxy-|BRN 0636244|Bulk Lysol Brand Disinfectant|Caswell No. 907A|Du Cor Concentrated Fly Insecticide|EINECS 203-321-6|EPA Pesticide Chemical Code 086804|Gable-Tite Dark Creosote|Gable-Tite Light Creosote|Lysol Brand disinfectant|m-Xylenol|NSC 3829|Phenol, 2,4-dimethyl-|RCRA waste number U101|UNII-5OD803C081 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021864 https://doi.org/10.22427/NTP-DATA-DTXSID2021864
ARPathway2016 ARPathway2016_461 2,4-Dimethylphenol 105-67-9 DTXSID2021864 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=C(O)C=C1 2,4-Dimethylphenol 105-67-9|2,4-Dimethylphenol|1-Hydroxy-2,4-dimethylbenzene|2,4-xilenol|2,4-Xylenol|4-06-00-03126|4-Hydroxy-1,3-dimethylbenzene|4,6-Dimethylphenol|Benzene, 2,4-dimethyl-1-hydroxy-|BRN 0636244|Bulk Lysol Brand Disinfectant|Caswell No. 907A|Du Cor Concentrated Fly Insecticide|EINECS 203-321-6|EPA Pesticide Chemical Code 086804|Gable-Tite Dark Creosote|Gable-Tite Light Creosote|Lysol Brand disinfectant|m-Xylenol|NSC 3829|Phenol, 2,4-dimethyl-|RCRA waste number U101|UNII-5OD803C081 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021864 https://doi.org/10.22427/NTP-DATA-DTXSID2021864
ARPathway2016 ARPathway2016_461 2,4-Dimethylphenol 105-67-9 DTXSID2021864 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=C(O)C=C1 2,4-Dimethylphenol 105-67-9|2,4-Dimethylphenol|1-Hydroxy-2,4-dimethylbenzene|2,4-xilenol|2,4-Xylenol|4-06-00-03126|4-Hydroxy-1,3-dimethylbenzene|4,6-Dimethylphenol|Benzene, 2,4-dimethyl-1-hydroxy-|BRN 0636244|Bulk Lysol Brand Disinfectant|Caswell No. 907A|Du Cor Concentrated Fly Insecticide|EINECS 203-321-6|EPA Pesticide Chemical Code 086804|Gable-Tite Dark Creosote|Gable-Tite Light Creosote|Lysol Brand disinfectant|m-Xylenol|NSC 3829|Phenol, 2,4-dimethyl-|RCRA waste number U101|UNII-5OD803C081 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021864 https://doi.org/10.22427/NTP-DATA-DTXSID2021864
ERPathway2016 ERPathway2016_1027 2,4-Dimethylphenol 105-67-9 DTXSID2021864 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=C(O)C=C1 2,4-Dimethylphenol 105-67-9|2,4-Dimethylphenol|1-Hydroxy-2,4-dimethylbenzene|2,4-xilenol|2,4-Xylenol|4-06-00-03126|4-Hydroxy-1,3-dimethylbenzene|4,6-Dimethylphenol|Benzene, 2,4-dimethyl-1-hydroxy-|BRN 0636244|Bulk Lysol Brand Disinfectant|Caswell No. 907A|Du Cor Concentrated Fly Insecticide|EINECS 203-321-6|EPA Pesticide Chemical Code 086804|Gable-Tite Dark Creosote|Gable-Tite Light Creosote|Lysol Brand disinfectant|m-Xylenol|NSC 3829|Phenol, 2,4-dimethyl-|RCRA waste number U101|UNII-5OD803C081 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021864 https://doi.org/10.22427/NTP-DATA-DTXSID2021864
ERPathway2016 ERPathway2016_1027 2,4-Dimethylphenol 105-67-9 DTXSID2021864 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=C(O)C=C1 2,4-Dimethylphenol 105-67-9|2,4-Dimethylphenol|1-Hydroxy-2,4-dimethylbenzene|2,4-xilenol|2,4-Xylenol|4-06-00-03126|4-Hydroxy-1,3-dimethylbenzene|4,6-Dimethylphenol|Benzene, 2,4-dimethyl-1-hydroxy-|BRN 0636244|Bulk Lysol Brand Disinfectant|Caswell No. 907A|Du Cor Concentrated Fly Insecticide|EINECS 203-321-6|EPA Pesticide Chemical Code 086804|Gable-Tite Dark Creosote|Gable-Tite Light Creosote|Lysol Brand disinfectant|m-Xylenol|NSC 3829|Phenol, 2,4-dimethyl-|RCRA waste number U101|UNII-5OD803C081 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021864 https://doi.org/10.22427/NTP-DATA-DTXSID2021864
ERPathway2016 ERPathway2016_1027 2,4-Dimethylphenol 105-67-9 DTXSID2021864 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=C(O)C=C1 2,4-Dimethylphenol 105-67-9|2,4-Dimethylphenol|1-Hydroxy-2,4-dimethylbenzene|2,4-xilenol|2,4-Xylenol|4-06-00-03126|4-Hydroxy-1,3-dimethylbenzene|4,6-Dimethylphenol|Benzene, 2,4-dimethyl-1-hydroxy-|BRN 0636244|Bulk Lysol Brand Disinfectant|Caswell No. 907A|Du Cor Concentrated Fly Insecticide|EINECS 203-321-6|EPA Pesticide Chemical Code 086804|Gable-Tite Dark Creosote|Gable-Tite Light Creosote|Lysol Brand disinfectant|m-Xylenol|NSC 3829|Phenol, 2,4-dimethyl-|RCRA waste number U101|UNII-5OD803C081 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021864 https://doi.org/10.22427/NTP-DATA-DTXSID2021864
ERPathway2016 ERPathway2016_1027 2,4-Dimethylphenol 105-67-9 DTXSID2021864 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=C(O)C=C1 2,4-Dimethylphenol 105-67-9|2,4-Dimethylphenol|1-Hydroxy-2,4-dimethylbenzene|2,4-xilenol|2,4-Xylenol|4-06-00-03126|4-Hydroxy-1,3-dimethylbenzene|4,6-Dimethylphenol|Benzene, 2,4-dimethyl-1-hydroxy-|BRN 0636244|Bulk Lysol Brand Disinfectant|Caswell No. 907A|Du Cor Concentrated Fly Insecticide|EINECS 203-321-6|EPA Pesticide Chemical Code 086804|Gable-Tite Dark Creosote|Gable-Tite Light Creosote|Lysol Brand disinfectant|m-Xylenol|NSC 3829|Phenol, 2,4-dimethyl-|RCRA waste number U101|UNII-5OD803C081 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021864 https://doi.org/10.22427/NTP-DATA-DTXSID2021864
ARPathway2016 ARPathway2016_1258 2,4-Dinitrophenol 51-28-5 DTXSID0020523 FLAG: Antagonist shift, but CI overlap 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O 2,4-Dinitrophenol 51-28-5|2,4-Dinitrophenol|1-Hydroxy-2,4-dinitrobenzene|1,3-Dinitro-4-hydroxybenzene|1'alpha-2,4-Dinitrophenol|2-Nitro-4-nitrophenol|2,4-dinitrofenol|2,4-DNP|Aldifen|alpha-Dinitrophenol|Camello mosquito coils|Caswell No. 392|Cobra salts|Dinitrofenolo|Dinitrophenol|DINITROPHENOL, 2,4-|Dinofan|EINECS 200-087-7|EINECS No.: 200-087-7|EPA Pesticide Chemical Code 037509|Fenoxyl Carbon N|Nitro kleenup|NSC 1532|Osmoplastic-R|Osmotox-Plus|Phenol, 2,4-dinitro-|Phenol, alpha-dinitro-|Phenol, a-dinitro-|RCRA waste number P048|Shirakiku brand mosquito coils|Solfo Black 2B Supra|Solfo Black B|Solfo Black BB|Solfo Black G|Solfo Black SB|Tertrosulphur Black PB|Tertrosulphur PBR|UN 1320|UN 1320 (DOT)|UN 1599|UN 1599 (DOT)|UN 76|UNII-Q13SKS21MN|a-Dinitrophenol https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020523 https://doi.org/10.22427/NTP-DATA-DTXSID0020523
ARPathway2016 ARPathway2016_1258 2,4-Dinitrophenol 51-28-5 DTXSID0020523 FLAG: Antagonist shift, but CI overlap 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless OC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O 2,4-Dinitrophenol 51-28-5|2,4-Dinitrophenol|1-Hydroxy-2,4-dinitrobenzene|1,3-Dinitro-4-hydroxybenzene|1'alpha-2,4-Dinitrophenol|2-Nitro-4-nitrophenol|2,4-dinitrofenol|2,4-DNP|Aldifen|alpha-Dinitrophenol|Camello mosquito coils|Caswell No. 392|Cobra salts|Dinitrofenolo|Dinitrophenol|DINITROPHENOL, 2,4-|Dinofan|EINECS 200-087-7|EINECS No.: 200-087-7|EPA Pesticide Chemical Code 037509|Fenoxyl Carbon N|Nitro kleenup|NSC 1532|Osmoplastic-R|Osmotox-Plus|Phenol, 2,4-dinitro-|Phenol, alpha-dinitro-|Phenol, a-dinitro-|RCRA waste number P048|Shirakiku brand mosquito coils|Solfo Black 2B Supra|Solfo Black B|Solfo Black BB|Solfo Black G|Solfo Black SB|Tertrosulphur Black PB|Tertrosulphur PBR|UN 1320|UN 1320 (DOT)|UN 1599|UN 1599 (DOT)|UN 76|UNII-Q13SKS21MN|a-Dinitrophenol https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020523 https://doi.org/10.22427/NTP-DATA-DTXSID0020523
ARPathway2016 ARPathway2016_1258 2,4-Dinitrophenol 51-28-5 DTXSID0020523 FLAG: Antagonist shift, but CI overlap 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless OC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O 2,4-Dinitrophenol 51-28-5|2,4-Dinitrophenol|1-Hydroxy-2,4-dinitrobenzene|1,3-Dinitro-4-hydroxybenzene|1'alpha-2,4-Dinitrophenol|2-Nitro-4-nitrophenol|2,4-dinitrofenol|2,4-DNP|Aldifen|alpha-Dinitrophenol|Camello mosquito coils|Caswell No. 392|Cobra salts|Dinitrofenolo|Dinitrophenol|DINITROPHENOL, 2,4-|Dinofan|EINECS 200-087-7|EINECS No.: 200-087-7|EPA Pesticide Chemical Code 037509|Fenoxyl Carbon N|Nitro kleenup|NSC 1532|Osmoplastic-R|Osmotox-Plus|Phenol, 2,4-dinitro-|Phenol, alpha-dinitro-|Phenol, a-dinitro-|RCRA waste number P048|Shirakiku brand mosquito coils|Solfo Black 2B Supra|Solfo Black B|Solfo Black BB|Solfo Black G|Solfo Black SB|Tertrosulphur Black PB|Tertrosulphur PBR|UN 1320|UN 1320 (DOT)|UN 1599|UN 1599 (DOT)|UN 76|UNII-Q13SKS21MN|a-Dinitrophenol https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020523 https://doi.org/10.22427/NTP-DATA-DTXSID0020523
ARPathway2016 ARPathway2016_1258 2,4-Dinitrophenol 51-28-5 DTXSID0020523 FLAG: Antagonist shift, but CI overlap 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O 2,4-Dinitrophenol 51-28-5|2,4-Dinitrophenol|1-Hydroxy-2,4-dinitrobenzene|1,3-Dinitro-4-hydroxybenzene|1'alpha-2,4-Dinitrophenol|2-Nitro-4-nitrophenol|2,4-dinitrofenol|2,4-DNP|Aldifen|alpha-Dinitrophenol|Camello mosquito coils|Caswell No. 392|Cobra salts|Dinitrofenolo|Dinitrophenol|DINITROPHENOL, 2,4-|Dinofan|EINECS 200-087-7|EINECS No.: 200-087-7|EPA Pesticide Chemical Code 037509|Fenoxyl Carbon N|Nitro kleenup|NSC 1532|Osmoplastic-R|Osmotox-Plus|Phenol, 2,4-dinitro-|Phenol, alpha-dinitro-|Phenol, a-dinitro-|RCRA waste number P048|Shirakiku brand mosquito coils|Solfo Black 2B Supra|Solfo Black B|Solfo Black BB|Solfo Black G|Solfo Black SB|Tertrosulphur Black PB|Tertrosulphur PBR|UN 1320|UN 1320 (DOT)|UN 1599|UN 1599 (DOT)|UN 76|UNII-Q13SKS21MN|a-Dinitrophenol https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020523 https://doi.org/10.22427/NTP-DATA-DTXSID0020523
ERPathway2016 ERPathway2016_623 2,4-Dinitrophenol 51-28-5 DTXSID0020523 ER Pathway Model, Agonist Model Score 0 Unitless OC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O 2,4-Dinitrophenol 51-28-5|2,4-Dinitrophenol|1-Hydroxy-2,4-dinitrobenzene|1,3-Dinitro-4-hydroxybenzene|1'alpha-2,4-Dinitrophenol|2-Nitro-4-nitrophenol|2,4-dinitrofenol|2,4-DNP|Aldifen|alpha-Dinitrophenol|Camello mosquito coils|Caswell No. 392|Cobra salts|Dinitrofenolo|Dinitrophenol|DINITROPHENOL, 2,4-|Dinofan|EINECS 200-087-7|EINECS No.: 200-087-7|EPA Pesticide Chemical Code 037509|Fenoxyl Carbon N|Nitro kleenup|NSC 1532|Osmoplastic-R|Osmotox-Plus|Phenol, 2,4-dinitro-|Phenol, alpha-dinitro-|Phenol, a-dinitro-|RCRA waste number P048|Shirakiku brand mosquito coils|Solfo Black 2B Supra|Solfo Black B|Solfo Black BB|Solfo Black G|Solfo Black SB|Tertrosulphur Black PB|Tertrosulphur PBR|UN 1320|UN 1320 (DOT)|UN 1599|UN 1599 (DOT)|UN 76|UNII-Q13SKS21MN|a-Dinitrophenol https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020523 https://doi.org/10.22427/NTP-DATA-DTXSID0020523
ERPathway2016 ERPathway2016_623 2,4-Dinitrophenol 51-28-5 DTXSID0020523 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O 2,4-Dinitrophenol 51-28-5|2,4-Dinitrophenol|1-Hydroxy-2,4-dinitrobenzene|1,3-Dinitro-4-hydroxybenzene|1'alpha-2,4-Dinitrophenol|2-Nitro-4-nitrophenol|2,4-dinitrofenol|2,4-DNP|Aldifen|alpha-Dinitrophenol|Camello mosquito coils|Caswell No. 392|Cobra salts|Dinitrofenolo|Dinitrophenol|DINITROPHENOL, 2,4-|Dinofan|EINECS 200-087-7|EINECS No.: 200-087-7|EPA Pesticide Chemical Code 037509|Fenoxyl Carbon N|Nitro kleenup|NSC 1532|Osmoplastic-R|Osmotox-Plus|Phenol, 2,4-dinitro-|Phenol, alpha-dinitro-|Phenol, a-dinitro-|RCRA waste number P048|Shirakiku brand mosquito coils|Solfo Black 2B Supra|Solfo Black B|Solfo Black BB|Solfo Black G|Solfo Black SB|Tertrosulphur Black PB|Tertrosulphur PBR|UN 1320|UN 1320 (DOT)|UN 1599|UN 1599 (DOT)|UN 76|UNII-Q13SKS21MN|a-Dinitrophenol https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020523 https://doi.org/10.22427/NTP-DATA-DTXSID0020523
ERPathway2016 ERPathway2016_623 2,4-Dinitrophenol 51-28-5 DTXSID0020523 ER Pathway Model, Agonist Call Inactive Unitless OC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O 2,4-Dinitrophenol 51-28-5|2,4-Dinitrophenol|1-Hydroxy-2,4-dinitrobenzene|1,3-Dinitro-4-hydroxybenzene|1'alpha-2,4-Dinitrophenol|2-Nitro-4-nitrophenol|2,4-dinitrofenol|2,4-DNP|Aldifen|alpha-Dinitrophenol|Camello mosquito coils|Caswell No. 392|Cobra salts|Dinitrofenolo|Dinitrophenol|DINITROPHENOL, 2,4-|Dinofan|EINECS 200-087-7|EINECS No.: 200-087-7|EPA Pesticide Chemical Code 037509|Fenoxyl Carbon N|Nitro kleenup|NSC 1532|Osmoplastic-R|Osmotox-Plus|Phenol, 2,4-dinitro-|Phenol, alpha-dinitro-|Phenol, a-dinitro-|RCRA waste number P048|Shirakiku brand mosquito coils|Solfo Black 2B Supra|Solfo Black B|Solfo Black BB|Solfo Black G|Solfo Black SB|Tertrosulphur Black PB|Tertrosulphur PBR|UN 1320|UN 1320 (DOT)|UN 1599|UN 1599 (DOT)|UN 76|UNII-Q13SKS21MN|a-Dinitrophenol https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020523 https://doi.org/10.22427/NTP-DATA-DTXSID0020523
ERPathway2016 ERPathway2016_623 2,4-Dinitrophenol 51-28-5 DTXSID0020523 ER Pathway Model, Antagonist Call Inactive Unitless OC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O 2,4-Dinitrophenol 51-28-5|2,4-Dinitrophenol|1-Hydroxy-2,4-dinitrobenzene|1,3-Dinitro-4-hydroxybenzene|1'alpha-2,4-Dinitrophenol|2-Nitro-4-nitrophenol|2,4-dinitrofenol|2,4-DNP|Aldifen|alpha-Dinitrophenol|Camello mosquito coils|Caswell No. 392|Cobra salts|Dinitrofenolo|Dinitrophenol|DINITROPHENOL, 2,4-|Dinofan|EINECS 200-087-7|EINECS No.: 200-087-7|EPA Pesticide Chemical Code 037509|Fenoxyl Carbon N|Nitro kleenup|NSC 1532|Osmoplastic-R|Osmotox-Plus|Phenol, 2,4-dinitro-|Phenol, alpha-dinitro-|Phenol, a-dinitro-|RCRA waste number P048|Shirakiku brand mosquito coils|Solfo Black 2B Supra|Solfo Black B|Solfo Black BB|Solfo Black G|Solfo Black SB|Tertrosulphur Black PB|Tertrosulphur PBR|UN 1320|UN 1320 (DOT)|UN 1599|UN 1599 (DOT)|UN 76|UNII-Q13SKS21MN|a-Dinitrophenol https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020523 https://doi.org/10.22427/NTP-DATA-DTXSID0020523
ARPathway2016 ARPathway2016_684 2,4-Dinitrotoluene 121-14-2 DTXSID0020529 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O 2,4-Dinitrotoluene 121-14-2|2,4-Dinitrotoluene|1-Methyl-2,4-dinitrobenzene|2,4-dinitro-1-methylbenzene|2,4-dinitromethylbenzene|2,4-dinitrotolueno|2,4-Dinitrotoluol|2,4-DNT|4-Methyl-1,3-dinitrobenzene|6-Methyl-1,3-dinitrobenzene|Benzene, 1-methyl-2,4-dinitro-|Benzol, 1-methyl-2,4-dinitro-|DNT|EINECS 204-450-0|NCI-C01865|NSC 7194|RCRA waste number U105|TOLUENE, 2,4-DINITRO-|UNII-6741D310ED https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020529 https://doi.org/10.22427/NTP-DATA-DTXSID0020529
ARPathway2016 ARPathway2016_684 2,4-Dinitrotoluene 121-14-2 DTXSID0020529 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O 2,4-Dinitrotoluene 121-14-2|2,4-Dinitrotoluene|1-Methyl-2,4-dinitrobenzene|2,4-dinitro-1-methylbenzene|2,4-dinitromethylbenzene|2,4-dinitrotolueno|2,4-Dinitrotoluol|2,4-DNT|4-Methyl-1,3-dinitrobenzene|6-Methyl-1,3-dinitrobenzene|Benzene, 1-methyl-2,4-dinitro-|Benzol, 1-methyl-2,4-dinitro-|DNT|EINECS 204-450-0|NCI-C01865|NSC 7194|RCRA waste number U105|TOLUENE, 2,4-DINITRO-|UNII-6741D310ED https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020529 https://doi.org/10.22427/NTP-DATA-DTXSID0020529
ARPathway2016 ARPathway2016_684 2,4-Dinitrotoluene 121-14-2 DTXSID0020529 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O 2,4-Dinitrotoluene 121-14-2|2,4-Dinitrotoluene|1-Methyl-2,4-dinitrobenzene|2,4-dinitro-1-methylbenzene|2,4-dinitromethylbenzene|2,4-dinitrotolueno|2,4-Dinitrotoluol|2,4-DNT|4-Methyl-1,3-dinitrobenzene|6-Methyl-1,3-dinitrobenzene|Benzene, 1-methyl-2,4-dinitro-|Benzol, 1-methyl-2,4-dinitro-|DNT|EINECS 204-450-0|NCI-C01865|NSC 7194|RCRA waste number U105|TOLUENE, 2,4-DINITRO-|UNII-6741D310ED https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020529 https://doi.org/10.22427/NTP-DATA-DTXSID0020529
ARPathway2016 ARPathway2016_684 2,4-Dinitrotoluene 121-14-2 DTXSID0020529 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O 2,4-Dinitrotoluene 121-14-2|2,4-Dinitrotoluene|1-Methyl-2,4-dinitrobenzene|2,4-dinitro-1-methylbenzene|2,4-dinitromethylbenzene|2,4-dinitrotolueno|2,4-Dinitrotoluol|2,4-DNT|4-Methyl-1,3-dinitrobenzene|6-Methyl-1,3-dinitrobenzene|Benzene, 1-methyl-2,4-dinitro-|Benzol, 1-methyl-2,4-dinitro-|DNT|EINECS 204-450-0|NCI-C01865|NSC 7194|RCRA waste number U105|TOLUENE, 2,4-DINITRO-|UNII-6741D310ED https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020529 https://doi.org/10.22427/NTP-DATA-DTXSID0020529
ERPathway2016 ERPathway2016_1215 2,4-Dinitrotoluene 121-14-2 DTXSID0020529 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O 2,4-Dinitrotoluene 121-14-2|2,4-Dinitrotoluene|1-Methyl-2,4-dinitrobenzene|2,4-dinitro-1-methylbenzene|2,4-dinitromethylbenzene|2,4-dinitrotolueno|2,4-Dinitrotoluol|2,4-DNT|4-Methyl-1,3-dinitrobenzene|6-Methyl-1,3-dinitrobenzene|Benzene, 1-methyl-2,4-dinitro-|Benzol, 1-methyl-2,4-dinitro-|DNT|EINECS 204-450-0|NCI-C01865|NSC 7194|RCRA waste number U105|TOLUENE, 2,4-DINITRO-|UNII-6741D310ED https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020529 https://doi.org/10.22427/NTP-DATA-DTXSID0020529
ERPathway2016 ERPathway2016_1215 2,4-Dinitrotoluene 121-14-2 DTXSID0020529 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O 2,4-Dinitrotoluene 121-14-2|2,4-Dinitrotoluene|1-Methyl-2,4-dinitrobenzene|2,4-dinitro-1-methylbenzene|2,4-dinitromethylbenzene|2,4-dinitrotolueno|2,4-Dinitrotoluol|2,4-DNT|4-Methyl-1,3-dinitrobenzene|6-Methyl-1,3-dinitrobenzene|Benzene, 1-methyl-2,4-dinitro-|Benzol, 1-methyl-2,4-dinitro-|DNT|EINECS 204-450-0|NCI-C01865|NSC 7194|RCRA waste number U105|TOLUENE, 2,4-DINITRO-|UNII-6741D310ED https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020529 https://doi.org/10.22427/NTP-DATA-DTXSID0020529
ERPathway2016 ERPathway2016_1215 2,4-Dinitrotoluene 121-14-2 DTXSID0020529 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O 2,4-Dinitrotoluene 121-14-2|2,4-Dinitrotoluene|1-Methyl-2,4-dinitrobenzene|2,4-dinitro-1-methylbenzene|2,4-dinitromethylbenzene|2,4-dinitrotolueno|2,4-Dinitrotoluol|2,4-DNT|4-Methyl-1,3-dinitrobenzene|6-Methyl-1,3-dinitrobenzene|Benzene, 1-methyl-2,4-dinitro-|Benzol, 1-methyl-2,4-dinitro-|DNT|EINECS 204-450-0|NCI-C01865|NSC 7194|RCRA waste number U105|TOLUENE, 2,4-DINITRO-|UNII-6741D310ED https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020529 https://doi.org/10.22427/NTP-DATA-DTXSID0020529
ERPathway2016 ERPathway2016_1215 2,4-Dinitrotoluene 121-14-2 DTXSID0020529 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O 2,4-Dinitrotoluene 121-14-2|2,4-Dinitrotoluene|1-Methyl-2,4-dinitrobenzene|2,4-dinitro-1-methylbenzene|2,4-dinitromethylbenzene|2,4-dinitrotolueno|2,4-Dinitrotoluol|2,4-DNT|4-Methyl-1,3-dinitrobenzene|6-Methyl-1,3-dinitrobenzene|Benzene, 1-methyl-2,4-dinitro-|Benzol, 1-methyl-2,4-dinitro-|DNT|EINECS 204-450-0|NCI-C01865|NSC 7194|RCRA waste number U105|TOLUENE, 2,4-DINITRO-|UNII-6741D310ED https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020529 https://doi.org/10.22427/NTP-DATA-DTXSID0020529
ARPathway2016 ARPathway2016_319 2,4-Di-tert-butylphenol 96-76-4 DTXSID2026602 True antagonist shift (No hit/Hit) 3.0 A1 AR Pathway Model, Agonist AC50 23.74681519 uM CC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)C 2,4-Di-tert-butylphenol 96-76-4|2,4-Di-tert-butylphenol|1-Hydroxy-2,4-di-tert-butylbenzene|2,4-Bis(1,1-dimethylethyl)phenol|2,4-BIS(TERT-BUTYL)PHENOL|2,4-Di-T-butylphenol|2,4-di-terc-butilfenol|2,4-DI-TERT-BUTYL PHENOL|2,4-Di-tert-butylhydroxybenzene|Antioxidant No. 33|BRN 1910383|EINECS 202-532-0|NSC 174502|Phenol, 2,4-bis(1,1-dimethylethyl)-|Phenol, 2,4-di-tert-butyl-|Phenol, 2,4-di(1,1-dimethylethyl)-|Prodox 146A-85X|50356-26-8|652152-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026602
ARPathway2016 ARPathway2016_319 2,4-Di-tert-butylphenol 96-76-4 DTXSID2026602 True antagonist shift (No hit/Hit) 3.0 A1 AR Pathway Model, Agonist ACC 21.11143842 uM CC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)C 2,4-Di-tert-butylphenol 96-76-4|2,4-Di-tert-butylphenol|1-Hydroxy-2,4-di-tert-butylbenzene|2,4-Bis(1,1-dimethylethyl)phenol|2,4-BIS(TERT-BUTYL)PHENOL|2,4-Di-T-butylphenol|2,4-di-terc-butilfenol|2,4-DI-TERT-BUTYL PHENOL|2,4-Di-tert-butylhydroxybenzene|Antioxidant No. 33|BRN 1910383|EINECS 202-532-0|NSC 174502|Phenol, 2,4-bis(1,1-dimethylethyl)-|Phenol, 2,4-di-tert-butyl-|Phenol, 2,4-di(1,1-dimethylethyl)-|Prodox 146A-85X|50356-26-8|652152-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026602
ARPathway2016 ARPathway2016_319 2,4-Di-tert-butylphenol 96-76-4 DTXSID2026602 True antagonist shift (No hit/Hit) 3.0 A1 AR Pathway Model, Antagonist Model Score 0.0471 Unitless CC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)C 2,4-Di-tert-butylphenol 96-76-4|2,4-Di-tert-butylphenol|1-Hydroxy-2,4-di-tert-butylbenzene|2,4-Bis(1,1-dimethylethyl)phenol|2,4-BIS(TERT-BUTYL)PHENOL|2,4-Di-T-butylphenol|2,4-di-terc-butilfenol|2,4-DI-TERT-BUTYL PHENOL|2,4-Di-tert-butylhydroxybenzene|Antioxidant No. 33|BRN 1910383|EINECS 202-532-0|NSC 174502|Phenol, 2,4-bis(1,1-dimethylethyl)-|Phenol, 2,4-di-tert-butyl-|Phenol, 2,4-di(1,1-dimethylethyl)-|Prodox 146A-85X|50356-26-8|652152-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026602
ARPathway2016 ARPathway2016_319 2,4-Di-tert-butylphenol 96-76-4 DTXSID2026602 True antagonist shift (No hit/Hit) 3.0 A1 AR Pathway Model, Agonist Model Score 0.0238 Unitless CC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)C 2,4-Di-tert-butylphenol 96-76-4|2,4-Di-tert-butylphenol|1-Hydroxy-2,4-di-tert-butylbenzene|2,4-Bis(1,1-dimethylethyl)phenol|2,4-BIS(TERT-BUTYL)PHENOL|2,4-Di-T-butylphenol|2,4-di-terc-butilfenol|2,4-DI-TERT-BUTYL PHENOL|2,4-Di-tert-butylhydroxybenzene|Antioxidant No. 33|BRN 1910383|EINECS 202-532-0|NSC 174502|Phenol, 2,4-bis(1,1-dimethylethyl)-|Phenol, 2,4-di-tert-butyl-|Phenol, 2,4-di(1,1-dimethylethyl)-|Prodox 146A-85X|50356-26-8|652152-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026602
ARPathway2016 ARPathway2016_319 2,4-Di-tert-butylphenol 96-76-4 DTXSID2026602 True antagonist shift (No hit/Hit) 3.0 A1 AR Pathway Model, Agonist Call Active Unitless CC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)C 2,4-Di-tert-butylphenol 96-76-4|2,4-Di-tert-butylphenol|1-Hydroxy-2,4-di-tert-butylbenzene|2,4-Bis(1,1-dimethylethyl)phenol|2,4-BIS(TERT-BUTYL)PHENOL|2,4-Di-T-butylphenol|2,4-di-terc-butilfenol|2,4-DI-TERT-BUTYL PHENOL|2,4-Di-tert-butylhydroxybenzene|Antioxidant No. 33|BRN 1910383|EINECS 202-532-0|NSC 174502|Phenol, 2,4-bis(1,1-dimethylethyl)-|Phenol, 2,4-di-tert-butyl-|Phenol, 2,4-di(1,1-dimethylethyl)-|Prodox 146A-85X|50356-26-8|652152-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026602
ARPathway2016 ARPathway2016_319 2,4-Di-tert-butylphenol 96-76-4 DTXSID2026602 True antagonist shift (No hit/Hit) 3.0 A1 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)C 2,4-Di-tert-butylphenol 96-76-4|2,4-Di-tert-butylphenol|1-Hydroxy-2,4-di-tert-butylbenzene|2,4-Bis(1,1-dimethylethyl)phenol|2,4-BIS(TERT-BUTYL)PHENOL|2,4-Di-T-butylphenol|2,4-di-terc-butilfenol|2,4-DI-TERT-BUTYL PHENOL|2,4-Di-tert-butylhydroxybenzene|Antioxidant No. 33|BRN 1910383|EINECS 202-532-0|NSC 174502|Phenol, 2,4-bis(1,1-dimethylethyl)-|Phenol, 2,4-di-tert-butyl-|Phenol, 2,4-di(1,1-dimethylethyl)-|Prodox 146A-85X|50356-26-8|652152-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026602
ERPathway2016 ERPathway2016_691 2,4-Di-tert-butylphenol 96-76-4 DTXSID2026602 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)C 2,4-Di-tert-butylphenol 96-76-4|2,4-Di-tert-butylphenol|1-Hydroxy-2,4-di-tert-butylbenzene|2,4-Bis(1,1-dimethylethyl)phenol|2,4-BIS(TERT-BUTYL)PHENOL|2,4-Di-T-butylphenol|2,4-di-terc-butilfenol|2,4-DI-TERT-BUTYL PHENOL|2,4-Di-tert-butylhydroxybenzene|Antioxidant No. 33|BRN 1910383|EINECS 202-532-0|NSC 174502|Phenol, 2,4-bis(1,1-dimethylethyl)-|Phenol, 2,4-di-tert-butyl-|Phenol, 2,4-di(1,1-dimethylethyl)-|Prodox 146A-85X|50356-26-8|652152-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026602
ERPathway2016 ERPathway2016_691 2,4-Di-tert-butylphenol 96-76-4 DTXSID2026602 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)C 2,4-Di-tert-butylphenol 96-76-4|2,4-Di-tert-butylphenol|1-Hydroxy-2,4-di-tert-butylbenzene|2,4-Bis(1,1-dimethylethyl)phenol|2,4-BIS(TERT-BUTYL)PHENOL|2,4-Di-T-butylphenol|2,4-di-terc-butilfenol|2,4-DI-TERT-BUTYL PHENOL|2,4-Di-tert-butylhydroxybenzene|Antioxidant No. 33|BRN 1910383|EINECS 202-532-0|NSC 174502|Phenol, 2,4-bis(1,1-dimethylethyl)-|Phenol, 2,4-di-tert-butyl-|Phenol, 2,4-di(1,1-dimethylethyl)-|Prodox 146A-85X|50356-26-8|652152-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026602
ERPathway2016 ERPathway2016_691 2,4-Di-tert-butylphenol 96-76-4 DTXSID2026602 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)C 2,4-Di-tert-butylphenol 96-76-4|2,4-Di-tert-butylphenol|1-Hydroxy-2,4-di-tert-butylbenzene|2,4-Bis(1,1-dimethylethyl)phenol|2,4-BIS(TERT-BUTYL)PHENOL|2,4-Di-T-butylphenol|2,4-di-terc-butilfenol|2,4-DI-TERT-BUTYL PHENOL|2,4-Di-tert-butylhydroxybenzene|Antioxidant No. 33|BRN 1910383|EINECS 202-532-0|NSC 174502|Phenol, 2,4-bis(1,1-dimethylethyl)-|Phenol, 2,4-di-tert-butyl-|Phenol, 2,4-di(1,1-dimethylethyl)-|Prodox 146A-85X|50356-26-8|652152-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026602
ERPathway2016 ERPathway2016_691 2,4-Di-tert-butylphenol 96-76-4 DTXSID2026602 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)C 2,4-Di-tert-butylphenol 96-76-4|2,4-Di-tert-butylphenol|1-Hydroxy-2,4-di-tert-butylbenzene|2,4-Bis(1,1-dimethylethyl)phenol|2,4-BIS(TERT-BUTYL)PHENOL|2,4-Di-T-butylphenol|2,4-di-terc-butilfenol|2,4-DI-TERT-BUTYL PHENOL|2,4-Di-tert-butylhydroxybenzene|Antioxidant No. 33|BRN 1910383|EINECS 202-532-0|NSC 174502|Phenol, 2,4-bis(1,1-dimethylethyl)-|Phenol, 2,4-di-tert-butyl-|Phenol, 2,4-di(1,1-dimethylethyl)-|Prodox 146A-85X|50356-26-8|652152-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026602
ARPathway2016 ARPathway2016_681 2,4-Di-tert-pentylphenol 120-95-6 DTXSID9026974 True antagonist shift (No hit/Hit) 2.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)CC 2,4-Di-tert-pentylphenol 120-95-6|2,4-Di-tert-pentylphenol|2,4-Bis(2-methylbutan-2-yl)phenol|2,4-Di-t-pentylphenol|2,4-Di-tert-amylphenol|3-06-00-02085|BRN 2370274|Di-tert-amylphenol|EINECS 204-439-0|NSC 158351|Phenol, 2,4-bis(1,1-dimethylpropyl)-|UNII-852F1HP88H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026974
ARPathway2016 ARPathway2016_681 2,4-Di-tert-pentylphenol 120-95-6 DTXSID9026974 True antagonist shift (No hit/Hit) 2.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)CC 2,4-Di-tert-pentylphenol 120-95-6|2,4-Di-tert-pentylphenol|2,4-Bis(2-methylbutan-2-yl)phenol|2,4-Di-t-pentylphenol|2,4-Di-tert-amylphenol|3-06-00-02085|BRN 2370274|Di-tert-amylphenol|EINECS 204-439-0|NSC 158351|Phenol, 2,4-bis(1,1-dimethylpropyl)-|UNII-852F1HP88H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026974
ARPathway2016 ARPathway2016_681 2,4-Di-tert-pentylphenol 120-95-6 DTXSID9026974 True antagonist shift (No hit/Hit) 2.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CCC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)CC 2,4-Di-tert-pentylphenol 120-95-6|2,4-Di-tert-pentylphenol|2,4-Bis(2-methylbutan-2-yl)phenol|2,4-Di-t-pentylphenol|2,4-Di-tert-amylphenol|3-06-00-02085|BRN 2370274|Di-tert-amylphenol|EINECS 204-439-0|NSC 158351|Phenol, 2,4-bis(1,1-dimethylpropyl)-|UNII-852F1HP88H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026974
ARPathway2016 ARPathway2016_681 2,4-Di-tert-pentylphenol 120-95-6 DTXSID9026974 True antagonist shift (No hit/Hit) 2.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)CC 2,4-Di-tert-pentylphenol 120-95-6|2,4-Di-tert-pentylphenol|2,4-Bis(2-methylbutan-2-yl)phenol|2,4-Di-t-pentylphenol|2,4-Di-tert-amylphenol|3-06-00-02085|BRN 2370274|Di-tert-amylphenol|EINECS 204-439-0|NSC 158351|Phenol, 2,4-bis(1,1-dimethylpropyl)-|UNII-852F1HP88H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026974
ERPathway2016 ERPathway2016_439 2,4-Di-tert-pentylphenol 120-95-6 DTXSID9026974 ER Pathway Model, Antagonist AC50 12.5709521264886 uM CCC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)CC 2,4-Di-tert-pentylphenol 120-95-6|2,4-Di-tert-pentylphenol|2,4-Bis(2-methylbutan-2-yl)phenol|2,4-Di-t-pentylphenol|2,4-Di-tert-amylphenol|3-06-00-02085|BRN 2370274|Di-tert-amylphenol|EINECS 204-439-0|NSC 158351|Phenol, 2,4-bis(1,1-dimethylpropyl)-|UNII-852F1HP88H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026974
ERPathway2016 ERPathway2016_439 2,4-Di-tert-pentylphenol 120-95-6 DTXSID9026974 ER Pathway Model, Antagonist ACC 9.50064327454208 uM CCC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)CC 2,4-Di-tert-pentylphenol 120-95-6|2,4-Di-tert-pentylphenol|2,4-Bis(2-methylbutan-2-yl)phenol|2,4-Di-t-pentylphenol|2,4-Di-tert-amylphenol|3-06-00-02085|BRN 2370274|Di-tert-amylphenol|EINECS 204-439-0|NSC 158351|Phenol, 2,4-bis(1,1-dimethylpropyl)-|UNII-852F1HP88H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026974
ERPathway2016 ERPathway2016_439 2,4-Di-tert-pentylphenol 120-95-6 DTXSID9026974 ER Pathway Model, Agonist Model Score 0.00528 Unitless CCC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)CC 2,4-Di-tert-pentylphenol 120-95-6|2,4-Di-tert-pentylphenol|2,4-Bis(2-methylbutan-2-yl)phenol|2,4-Di-t-pentylphenol|2,4-Di-tert-amylphenol|3-06-00-02085|BRN 2370274|Di-tert-amylphenol|EINECS 204-439-0|NSC 158351|Phenol, 2,4-bis(1,1-dimethylpropyl)-|UNII-852F1HP88H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026974
ERPathway2016 ERPathway2016_439 2,4-Di-tert-pentylphenol 120-95-6 DTXSID9026974 ER Pathway Model, Antagonist Model Score 0.00113 Unitless CCC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)CC 2,4-Di-tert-pentylphenol 120-95-6|2,4-Di-tert-pentylphenol|2,4-Bis(2-methylbutan-2-yl)phenol|2,4-Di-t-pentylphenol|2,4-Di-tert-amylphenol|3-06-00-02085|BRN 2370274|Di-tert-amylphenol|EINECS 204-439-0|NSC 158351|Phenol, 2,4-bis(1,1-dimethylpropyl)-|UNII-852F1HP88H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026974
ERPathway2016 ERPathway2016_439 2,4-Di-tert-pentylphenol 120-95-6 DTXSID9026974 ER Pathway Model, Agonist Call Inactive Unitless CCC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)CC 2,4-Di-tert-pentylphenol 120-95-6|2,4-Di-tert-pentylphenol|2,4-Bis(2-methylbutan-2-yl)phenol|2,4-Di-t-pentylphenol|2,4-Di-tert-amylphenol|3-06-00-02085|BRN 2370274|Di-tert-amylphenol|EINECS 204-439-0|NSC 158351|Phenol, 2,4-bis(1,1-dimethylpropyl)-|UNII-852F1HP88H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026974
ERPathway2016 ERPathway2016_439 2,4-Di-tert-pentylphenol 120-95-6 DTXSID9026974 ER Pathway Model, Antagonist Call Active Unitless CCC(C)(C)C1=CC(=C(O)C=C1)C(C)(C)CC 2,4-Di-tert-pentylphenol 120-95-6|2,4-Di-tert-pentylphenol|2,4-Bis(2-methylbutan-2-yl)phenol|2,4-Di-t-pentylphenol|2,4-Di-tert-amylphenol|3-06-00-02085|BRN 2370274|Di-tert-amylphenol|EINECS 204-439-0|NSC 158351|Phenol, 2,4-bis(1,1-dimethylpropyl)-|UNII-852F1HP88H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026974
ARPathway2016 ARPathway2016_1354 2,5-Dichlorophenol 583-78-8 DTXSID7025003 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC(Cl)=CC=C1Cl 2,5-Dichlorophenol 583-78-8|2,5-Dichlorophenol|1-Hydroxy-2,5-dichlorobenzene|2,5-Dichloro-Phenol|2,5-Dichlorophenol (ACD/Name 4.0)|2,5-Dichlorphenol|2,5-diclorofenol|4-06-00-00942|BRN 1907692|EINECS 209-520-4|NSC 6296|PHENOL, 1,4-DICHLORO-|Phenol, 2,5-dichloro-|UNII-3B11G9AKBA https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025003 https://doi.org/10.22427/NTP-DATA-DTXSID7025003
ARPathway2016 ARPathway2016_1354 2,5-Dichlorophenol 583-78-8 DTXSID7025003 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC(Cl)=CC=C1Cl 2,5-Dichlorophenol 583-78-8|2,5-Dichlorophenol|1-Hydroxy-2,5-dichlorobenzene|2,5-Dichloro-Phenol|2,5-Dichlorophenol (ACD/Name 4.0)|2,5-Dichlorphenol|2,5-diclorofenol|4-06-00-00942|BRN 1907692|EINECS 209-520-4|NSC 6296|PHENOL, 1,4-DICHLORO-|Phenol, 2,5-dichloro-|UNII-3B11G9AKBA https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025003 https://doi.org/10.22427/NTP-DATA-DTXSID7025003
ARPathway2016 ARPathway2016_1354 2,5-Dichlorophenol 583-78-8 DTXSID7025003 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC(Cl)=CC=C1Cl 2,5-Dichlorophenol 583-78-8|2,5-Dichlorophenol|1-Hydroxy-2,5-dichlorobenzene|2,5-Dichloro-Phenol|2,5-Dichlorophenol (ACD/Name 4.0)|2,5-Dichlorphenol|2,5-diclorofenol|4-06-00-00942|BRN 1907692|EINECS 209-520-4|NSC 6296|PHENOL, 1,4-DICHLORO-|Phenol, 2,5-dichloro-|UNII-3B11G9AKBA https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025003 https://doi.org/10.22427/NTP-DATA-DTXSID7025003
ARPathway2016 ARPathway2016_1354 2,5-Dichlorophenol 583-78-8 DTXSID7025003 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC(Cl)=CC=C1Cl 2,5-Dichlorophenol 583-78-8|2,5-Dichlorophenol|1-Hydroxy-2,5-dichlorobenzene|2,5-Dichloro-Phenol|2,5-Dichlorophenol (ACD/Name 4.0)|2,5-Dichlorphenol|2,5-diclorofenol|4-06-00-00942|BRN 1907692|EINECS 209-520-4|NSC 6296|PHENOL, 1,4-DICHLORO-|Phenol, 2,5-dichloro-|UNII-3B11G9AKBA https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025003 https://doi.org/10.22427/NTP-DATA-DTXSID7025003
ERPathway2016 ERPathway2016_1554 2,5-Dichlorophenol 583-78-8 DTXSID7025003 ER Pathway Model, Agonist Model Score 0 Unitless OC1=CC(Cl)=CC=C1Cl 2,5-Dichlorophenol 583-78-8|2,5-Dichlorophenol|1-Hydroxy-2,5-dichlorobenzene|2,5-Dichloro-Phenol|2,5-Dichlorophenol (ACD/Name 4.0)|2,5-Dichlorphenol|2,5-diclorofenol|4-06-00-00942|BRN 1907692|EINECS 209-520-4|NSC 6296|PHENOL, 1,4-DICHLORO-|Phenol, 2,5-dichloro-|UNII-3B11G9AKBA https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025003 https://doi.org/10.22427/NTP-DATA-DTXSID7025003
ERPathway2016 ERPathway2016_1554 2,5-Dichlorophenol 583-78-8 DTXSID7025003 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC(Cl)=CC=C1Cl 2,5-Dichlorophenol 583-78-8|2,5-Dichlorophenol|1-Hydroxy-2,5-dichlorobenzene|2,5-Dichloro-Phenol|2,5-Dichlorophenol (ACD/Name 4.0)|2,5-Dichlorphenol|2,5-diclorofenol|4-06-00-00942|BRN 1907692|EINECS 209-520-4|NSC 6296|PHENOL, 1,4-DICHLORO-|Phenol, 2,5-dichloro-|UNII-3B11G9AKBA https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025003 https://doi.org/10.22427/NTP-DATA-DTXSID7025003
ERPathway2016 ERPathway2016_1554 2,5-Dichlorophenol 583-78-8 DTXSID7025003 ER Pathway Model, Agonist Call Inactive Unitless OC1=CC(Cl)=CC=C1Cl 2,5-Dichlorophenol 583-78-8|2,5-Dichlorophenol|1-Hydroxy-2,5-dichlorobenzene|2,5-Dichloro-Phenol|2,5-Dichlorophenol (ACD/Name 4.0)|2,5-Dichlorphenol|2,5-diclorofenol|4-06-00-00942|BRN 1907692|EINECS 209-520-4|NSC 6296|PHENOL, 1,4-DICHLORO-|Phenol, 2,5-dichloro-|UNII-3B11G9AKBA https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025003 https://doi.org/10.22427/NTP-DATA-DTXSID7025003
ERPathway2016 ERPathway2016_1554 2,5-Dichlorophenol 583-78-8 DTXSID7025003 ER Pathway Model, Antagonist Call Inactive Unitless OC1=CC(Cl)=CC=C1Cl 2,5-Dichlorophenol 583-78-8|2,5-Dichlorophenol|1-Hydroxy-2,5-dichlorobenzene|2,5-Dichloro-Phenol|2,5-Dichlorophenol (ACD/Name 4.0)|2,5-Dichlorphenol|2,5-diclorofenol|4-06-00-00942|BRN 1907692|EINECS 209-520-4|NSC 6296|PHENOL, 1,4-DICHLORO-|Phenol, 2,5-dichloro-|UNII-3B11G9AKBA https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025003 https://doi.org/10.22427/NTP-DATA-DTXSID7025003
ARPathway2016 ARPathway2016_1575 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7 DTXSID9025110 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7|2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane|(1,1,4,4-Tetramethyltetramethylene)bis(tert-butyl peroxide)|2,5-Bis(tert-butyldioxy)-2,5-dimethylhexane|2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane|2,5-Di-tert-butyl-2,5-dimethylhexyl peroxide|2,5-Di(t-butylperoxy)-2,5-dimethylhexane|2,5-Di(tert-butylperoxy)-2,5-dimethylhexane|2,5-Dimethyl-2,5-bis(tert-butyldioxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylhydroperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane (Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl))|2,5-Dimethyl-2,5-di (t-butylperoxy) hexane|2,5-Dimethyl-2,5-di(t-butylperoxy)hexane|2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane|2,5-Dimethyl-di(tert-butyl)peroxyhexane|2,5-Dimethylhexane-2,5-di-tert-butylperoxide|2,5-Methyl-2,5-bis(tert-butylperoxy)hexane|2,5-Methyl-2,5-di(tert-butylperoxy)hexane|BRN 1863369|DBPH-PAR 100|di-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxide|Di-tert-butyl-1,1,4,4-tetramethyltetramethylendiperoxid|diperoxido de di-terc-butilo y 1,1,4,4-tetrametilte|105521-59-3|109603-45-4|118093-18-8|138427-60-8|139352-38-8|143637-29-0|158049-62-8|162535-20-8|1628689-99-5|180513-58-0|184247-21-0|186467-25-4|64366-72-9|80237-87-2|860310-58-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025110 https://doi.org/10.22427/NTP-DATA-DTXSID9025110
ARPathway2016 ARPathway2016_1575 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7 DTXSID9025110 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7|2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane|(1,1,4,4-Tetramethyltetramethylene)bis(tert-butyl peroxide)|2,5-Bis(tert-butyldioxy)-2,5-dimethylhexane|2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane|2,5-Di-tert-butyl-2,5-dimethylhexyl peroxide|2,5-Di(t-butylperoxy)-2,5-dimethylhexane|2,5-Di(tert-butylperoxy)-2,5-dimethylhexane|2,5-Dimethyl-2,5-bis(tert-butyldioxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylhydroperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane (Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl))|2,5-Dimethyl-2,5-di (t-butylperoxy) hexane|2,5-Dimethyl-2,5-di(t-butylperoxy)hexane|2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane|2,5-Dimethyl-di(tert-butyl)peroxyhexane|2,5-Dimethylhexane-2,5-di-tert-butylperoxide|2,5-Methyl-2,5-bis(tert-butylperoxy)hexane|2,5-Methyl-2,5-di(tert-butylperoxy)hexane|BRN 1863369|DBPH-PAR 100|di-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxide|Di-tert-butyl-1,1,4,4-tetramethyltetramethylendiperoxid|diperoxido de di-terc-butilo y 1,1,4,4-tetrametilte|105521-59-3|109603-45-4|118093-18-8|138427-60-8|139352-38-8|143637-29-0|158049-62-8|162535-20-8|1628689-99-5|180513-58-0|184247-21-0|186467-25-4|64366-72-9|80237-87-2|860310-58-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025110 https://doi.org/10.22427/NTP-DATA-DTXSID9025110
ARPathway2016 ARPathway2016_1575 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7 DTXSID9025110 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7|2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane|(1,1,4,4-Tetramethyltetramethylene)bis(tert-butyl peroxide)|2,5-Bis(tert-butyldioxy)-2,5-dimethylhexane|2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane|2,5-Di-tert-butyl-2,5-dimethylhexyl peroxide|2,5-Di(t-butylperoxy)-2,5-dimethylhexane|2,5-Di(tert-butylperoxy)-2,5-dimethylhexane|2,5-Dimethyl-2,5-bis(tert-butyldioxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylhydroperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane (Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl))|2,5-Dimethyl-2,5-di (t-butylperoxy) hexane|2,5-Dimethyl-2,5-di(t-butylperoxy)hexane|2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane|2,5-Dimethyl-di(tert-butyl)peroxyhexane|2,5-Dimethylhexane-2,5-di-tert-butylperoxide|2,5-Methyl-2,5-bis(tert-butylperoxy)hexane|2,5-Methyl-2,5-di(tert-butylperoxy)hexane|BRN 1863369|DBPH-PAR 100|di-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxide|Di-tert-butyl-1,1,4,4-tetramethyltetramethylendiperoxid|diperoxido de di-terc-butilo y 1,1,4,4-tetrametilte|105521-59-3|109603-45-4|118093-18-8|138427-60-8|139352-38-8|143637-29-0|158049-62-8|162535-20-8|1628689-99-5|180513-58-0|184247-21-0|186467-25-4|64366-72-9|80237-87-2|860310-58-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025110 https://doi.org/10.22427/NTP-DATA-DTXSID9025110
ARPathway2016 ARPathway2016_1575 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7 DTXSID9025110 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7|2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane|(1,1,4,4-Tetramethyltetramethylene)bis(tert-butyl peroxide)|2,5-Bis(tert-butyldioxy)-2,5-dimethylhexane|2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane|2,5-Di-tert-butyl-2,5-dimethylhexyl peroxide|2,5-Di(t-butylperoxy)-2,5-dimethylhexane|2,5-Di(tert-butylperoxy)-2,5-dimethylhexane|2,5-Dimethyl-2,5-bis(tert-butyldioxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylhydroperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane (Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl))|2,5-Dimethyl-2,5-di (t-butylperoxy) hexane|2,5-Dimethyl-2,5-di(t-butylperoxy)hexane|2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane|2,5-Dimethyl-di(tert-butyl)peroxyhexane|2,5-Dimethylhexane-2,5-di-tert-butylperoxide|2,5-Methyl-2,5-bis(tert-butylperoxy)hexane|2,5-Methyl-2,5-di(tert-butylperoxy)hexane|BRN 1863369|DBPH-PAR 100|di-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxide|Di-tert-butyl-1,1,4,4-tetramethyltetramethylendiperoxid|diperoxido de di-terc-butilo y 1,1,4,4-tetrametilte|105521-59-3|109603-45-4|118093-18-8|138427-60-8|139352-38-8|143637-29-0|158049-62-8|162535-20-8|1628689-99-5|180513-58-0|184247-21-0|186467-25-4|64366-72-9|80237-87-2|860310-58-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025110 https://doi.org/10.22427/NTP-DATA-DTXSID9025110
ERPathway2016 ERPathway2016_362 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7 DTXSID9025110 ER Pathway Model, Antagonist AC50 18.3606354770473 uM CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7|2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane|(1,1,4,4-Tetramethyltetramethylene)bis(tert-butyl peroxide)|2,5-Bis(tert-butyldioxy)-2,5-dimethylhexane|2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane|2,5-Di-tert-butyl-2,5-dimethylhexyl peroxide|2,5-Di(t-butylperoxy)-2,5-dimethylhexane|2,5-Di(tert-butylperoxy)-2,5-dimethylhexane|2,5-Dimethyl-2,5-bis(tert-butyldioxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylhydroperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane (Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl))|2,5-Dimethyl-2,5-di (t-butylperoxy) hexane|2,5-Dimethyl-2,5-di(t-butylperoxy)hexane|2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane|2,5-Dimethyl-di(tert-butyl)peroxyhexane|2,5-Dimethylhexane-2,5-di-tert-butylperoxide|2,5-Methyl-2,5-bis(tert-butylperoxy)hexane|2,5-Methyl-2,5-di(tert-butylperoxy)hexane|BRN 1863369|DBPH-PAR 100|di-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxide|Di-tert-butyl-1,1,4,4-tetramethyltetramethylendiperoxid|diperoxido de di-terc-butilo y 1,1,4,4-tetrametilte|105521-59-3|109603-45-4|118093-18-8|138427-60-8|139352-38-8|143637-29-0|158049-62-8|162535-20-8|1628689-99-5|180513-58-0|184247-21-0|186467-25-4|64366-72-9|80237-87-2|860310-58-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025110 https://doi.org/10.22427/NTP-DATA-DTXSID9025110
ERPathway2016 ERPathway2016_362 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7 DTXSID9025110 ER Pathway Model, Antagonist ACC 16.8115163718714 uM CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7|2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane|(1,1,4,4-Tetramethyltetramethylene)bis(tert-butyl peroxide)|2,5-Bis(tert-butyldioxy)-2,5-dimethylhexane|2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane|2,5-Di-tert-butyl-2,5-dimethylhexyl peroxide|2,5-Di(t-butylperoxy)-2,5-dimethylhexane|2,5-Di(tert-butylperoxy)-2,5-dimethylhexane|2,5-Dimethyl-2,5-bis(tert-butyldioxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylhydroperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane (Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl))|2,5-Dimethyl-2,5-di (t-butylperoxy) hexane|2,5-Dimethyl-2,5-di(t-butylperoxy)hexane|2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane|2,5-Dimethyl-di(tert-butyl)peroxyhexane|2,5-Dimethylhexane-2,5-di-tert-butylperoxide|2,5-Methyl-2,5-bis(tert-butylperoxy)hexane|2,5-Methyl-2,5-di(tert-butylperoxy)hexane|BRN 1863369|DBPH-PAR 100|di-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxide|Di-tert-butyl-1,1,4,4-tetramethyltetramethylendiperoxid|diperoxido de di-terc-butilo y 1,1,4,4-tetrametilte|105521-59-3|109603-45-4|118093-18-8|138427-60-8|139352-38-8|143637-29-0|158049-62-8|162535-20-8|1628689-99-5|180513-58-0|184247-21-0|186467-25-4|64366-72-9|80237-87-2|860310-58-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025110 https://doi.org/10.22427/NTP-DATA-DTXSID9025110
ERPathway2016 ERPathway2016_362 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7 DTXSID9025110 ER Pathway Model, Agonist Model Score 0.0159 Unitless CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7|2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane|(1,1,4,4-Tetramethyltetramethylene)bis(tert-butyl peroxide)|2,5-Bis(tert-butyldioxy)-2,5-dimethylhexane|2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane|2,5-Di-tert-butyl-2,5-dimethylhexyl peroxide|2,5-Di(t-butylperoxy)-2,5-dimethylhexane|2,5-Di(tert-butylperoxy)-2,5-dimethylhexane|2,5-Dimethyl-2,5-bis(tert-butyldioxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylhydroperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane (Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl))|2,5-Dimethyl-2,5-di (t-butylperoxy) hexane|2,5-Dimethyl-2,5-di(t-butylperoxy)hexane|2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane|2,5-Dimethyl-di(tert-butyl)peroxyhexane|2,5-Dimethylhexane-2,5-di-tert-butylperoxide|2,5-Methyl-2,5-bis(tert-butylperoxy)hexane|2,5-Methyl-2,5-di(tert-butylperoxy)hexane|BRN 1863369|DBPH-PAR 100|di-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxide|Di-tert-butyl-1,1,4,4-tetramethyltetramethylendiperoxid|diperoxido de di-terc-butilo y 1,1,4,4-tetrametilte|105521-59-3|109603-45-4|118093-18-8|138427-60-8|139352-38-8|143637-29-0|158049-62-8|162535-20-8|1628689-99-5|180513-58-0|184247-21-0|186467-25-4|64366-72-9|80237-87-2|860310-58-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025110 https://doi.org/10.22427/NTP-DATA-DTXSID9025110
ERPathway2016 ERPathway2016_362 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7 DTXSID9025110 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7|2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane|(1,1,4,4-Tetramethyltetramethylene)bis(tert-butyl peroxide)|2,5-Bis(tert-butyldioxy)-2,5-dimethylhexane|2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane|2,5-Di-tert-butyl-2,5-dimethylhexyl peroxide|2,5-Di(t-butylperoxy)-2,5-dimethylhexane|2,5-Di(tert-butylperoxy)-2,5-dimethylhexane|2,5-Dimethyl-2,5-bis(tert-butyldioxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylhydroperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane (Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl))|2,5-Dimethyl-2,5-di (t-butylperoxy) hexane|2,5-Dimethyl-2,5-di(t-butylperoxy)hexane|2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane|2,5-Dimethyl-di(tert-butyl)peroxyhexane|2,5-Dimethylhexane-2,5-di-tert-butylperoxide|2,5-Methyl-2,5-bis(tert-butylperoxy)hexane|2,5-Methyl-2,5-di(tert-butylperoxy)hexane|BRN 1863369|DBPH-PAR 100|di-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxide|Di-tert-butyl-1,1,4,4-tetramethyltetramethylendiperoxid|diperoxido de di-terc-butilo y 1,1,4,4-tetrametilte|105521-59-3|109603-45-4|118093-18-8|138427-60-8|139352-38-8|143637-29-0|158049-62-8|162535-20-8|1628689-99-5|180513-58-0|184247-21-0|186467-25-4|64366-72-9|80237-87-2|860310-58-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025110 https://doi.org/10.22427/NTP-DATA-DTXSID9025110
ERPathway2016 ERPathway2016_362 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7 DTXSID9025110 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7|2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane|(1,1,4,4-Tetramethyltetramethylene)bis(tert-butyl peroxide)|2,5-Bis(tert-butyldioxy)-2,5-dimethylhexane|2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane|2,5-Di-tert-butyl-2,5-dimethylhexyl peroxide|2,5-Di(t-butylperoxy)-2,5-dimethylhexane|2,5-Di(tert-butylperoxy)-2,5-dimethylhexane|2,5-Dimethyl-2,5-bis(tert-butyldioxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylhydroperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane (Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl))|2,5-Dimethyl-2,5-di (t-butylperoxy) hexane|2,5-Dimethyl-2,5-di(t-butylperoxy)hexane|2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane|2,5-Dimethyl-di(tert-butyl)peroxyhexane|2,5-Dimethylhexane-2,5-di-tert-butylperoxide|2,5-Methyl-2,5-bis(tert-butylperoxy)hexane|2,5-Methyl-2,5-di(tert-butylperoxy)hexane|BRN 1863369|DBPH-PAR 100|di-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxide|Di-tert-butyl-1,1,4,4-tetramethyltetramethylendiperoxid|diperoxido de di-terc-butilo y 1,1,4,4-tetrametilte|105521-59-3|109603-45-4|118093-18-8|138427-60-8|139352-38-8|143637-29-0|158049-62-8|162535-20-8|1628689-99-5|180513-58-0|184247-21-0|186467-25-4|64366-72-9|80237-87-2|860310-58-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025110 https://doi.org/10.22427/NTP-DATA-DTXSID9025110
ERPathway2016 ERPathway2016_362 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7 DTXSID9025110 ER Pathway Model, Antagonist Call Active Unitless CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane 78-63-7|2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane|(1,1,4,4-Tetramethyltetramethylene)bis(tert-butyl peroxide)|2,5-Bis(tert-butyldioxy)-2,5-dimethylhexane|2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane|2,5-Di-tert-butyl-2,5-dimethylhexyl peroxide|2,5-Di(t-butylperoxy)-2,5-dimethylhexane|2,5-Di(tert-butylperoxy)-2,5-dimethylhexane|2,5-Dimethyl-2,5-bis(tert-butyldioxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylhydroperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane|2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane (Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl))|2,5-Dimethyl-2,5-di (t-butylperoxy) hexane|2,5-Dimethyl-2,5-di(t-butylperoxy)hexane|2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane|2,5-Dimethyl-di(tert-butyl)peroxyhexane|2,5-Dimethylhexane-2,5-di-tert-butylperoxide|2,5-Methyl-2,5-bis(tert-butylperoxy)hexane|2,5-Methyl-2,5-di(tert-butylperoxy)hexane|BRN 1863369|DBPH-PAR 100|di-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxide|Di-tert-butyl-1,1,4,4-tetramethyltetramethylendiperoxid|diperoxido de di-terc-butilo y 1,1,4,4-tetrametilte|105521-59-3|109603-45-4|118093-18-8|138427-60-8|139352-38-8|143637-29-0|158049-62-8|162535-20-8|1628689-99-5|180513-58-0|184247-21-0|186467-25-4|64366-72-9|80237-87-2|860310-58-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025110 https://doi.org/10.22427/NTP-DATA-DTXSID9025110
ARPathway2016 ARPathway2016_1396 2,5-Dimethylbenzenesulfonic acid 609-54-1 DTXSID5041641 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C)C(=C1)S(O)(=O)=O 2,5-Dimethylbenzenesulfonic acid 609-54-1|2,5-Dimethylbenzenesulfonic acid|2,5-Dimethylbenzenesulfonate|2,5-Xylenesulfonic acid|Benzenesulfonic acid, 2,5-dimethyl- (p-Xylene-2-sulfonic acid)|EINECS 210-193-5|p-Xylene-2-sulfonic acid|p-xylene-2-sulphonic acid|p-Xylenesulfonic acid|81789-92-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041641
ARPathway2016 ARPathway2016_1396 2,5-Dimethylbenzenesulfonic acid 609-54-1 DTXSID5041641 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C)C(=C1)S(O)(=O)=O 2,5-Dimethylbenzenesulfonic acid 609-54-1|2,5-Dimethylbenzenesulfonic acid|2,5-Dimethylbenzenesulfonate|2,5-Xylenesulfonic acid|Benzenesulfonic acid, 2,5-dimethyl- (p-Xylene-2-sulfonic acid)|EINECS 210-193-5|p-Xylene-2-sulfonic acid|p-xylene-2-sulphonic acid|p-Xylenesulfonic acid|81789-92-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041641
ARPathway2016 ARPathway2016_1396 2,5-Dimethylbenzenesulfonic acid 609-54-1 DTXSID5041641 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C)C(=C1)S(O)(=O)=O 2,5-Dimethylbenzenesulfonic acid 609-54-1|2,5-Dimethylbenzenesulfonic acid|2,5-Dimethylbenzenesulfonate|2,5-Xylenesulfonic acid|Benzenesulfonic acid, 2,5-dimethyl- (p-Xylene-2-sulfonic acid)|EINECS 210-193-5|p-Xylene-2-sulfonic acid|p-xylene-2-sulphonic acid|p-Xylenesulfonic acid|81789-92-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041641
ARPathway2016 ARPathway2016_1396 2,5-Dimethylbenzenesulfonic acid 609-54-1 DTXSID5041641 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C)C(=C1)S(O)(=O)=O 2,5-Dimethylbenzenesulfonic acid 609-54-1|2,5-Dimethylbenzenesulfonic acid|2,5-Dimethylbenzenesulfonate|2,5-Xylenesulfonic acid|Benzenesulfonic acid, 2,5-dimethyl- (p-Xylene-2-sulfonic acid)|EINECS 210-193-5|p-Xylene-2-sulfonic acid|p-xylene-2-sulphonic acid|p-Xylenesulfonic acid|81789-92-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041641
ERPathway2016 ERPathway2016_1572 2,5-Dimethylbenzenesulfonic acid 609-54-1 DTXSID5041641 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C)C(=C1)S(O)(=O)=O 2,5-Dimethylbenzenesulfonic acid 609-54-1|2,5-Dimethylbenzenesulfonic acid|2,5-Dimethylbenzenesulfonate|2,5-Xylenesulfonic acid|Benzenesulfonic acid, 2,5-dimethyl- (p-Xylene-2-sulfonic acid)|EINECS 210-193-5|p-Xylene-2-sulfonic acid|p-xylene-2-sulphonic acid|p-Xylenesulfonic acid|81789-92-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041641
ERPathway2016 ERPathway2016_1572 2,5-Dimethylbenzenesulfonic acid 609-54-1 DTXSID5041641 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C)C(=C1)S(O)(=O)=O 2,5-Dimethylbenzenesulfonic acid 609-54-1|2,5-Dimethylbenzenesulfonic acid|2,5-Dimethylbenzenesulfonate|2,5-Xylenesulfonic acid|Benzenesulfonic acid, 2,5-dimethyl- (p-Xylene-2-sulfonic acid)|EINECS 210-193-5|p-Xylene-2-sulfonic acid|p-xylene-2-sulphonic acid|p-Xylenesulfonic acid|81789-92-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041641
ERPathway2016 ERPathway2016_1572 2,5-Dimethylbenzenesulfonic acid 609-54-1 DTXSID5041641 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C)C(=C1)S(O)(=O)=O 2,5-Dimethylbenzenesulfonic acid 609-54-1|2,5-Dimethylbenzenesulfonic acid|2,5-Dimethylbenzenesulfonate|2,5-Xylenesulfonic acid|Benzenesulfonic acid, 2,5-dimethyl- (p-Xylene-2-sulfonic acid)|EINECS 210-193-5|p-Xylene-2-sulfonic acid|p-xylene-2-sulphonic acid|p-Xylenesulfonic acid|81789-92-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041641
ERPathway2016 ERPathway2016_1572 2,5-Dimethylbenzenesulfonic acid 609-54-1 DTXSID5041641 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C)C(=C1)S(O)(=O)=O 2,5-Dimethylbenzenesulfonic acid 609-54-1|2,5-Dimethylbenzenesulfonic acid|2,5-Dimethylbenzenesulfonate|2,5-Xylenesulfonic acid|Benzenesulfonic acid, 2,5-dimethyl- (p-Xylene-2-sulfonic acid)|EINECS 210-193-5|p-Xylene-2-sulfonic acid|p-xylene-2-sulphonic acid|p-Xylenesulfonic acid|81789-92-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041641
ARPathway2016 ARPathway2016_1771 2,5-Dimethylphenol 95-87-4 DTXSID6025145 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(O)=C(C)C=C1 2,5-Dimethylphenol 95-87-4|2,5-Dimethylphenol|1-Hydroxy-2,5-dimethylbenzene|1,2,5-Xylenol|1,4-Dimethyl-2-hydroxybenzene|2-Hydroxy-p-xylene|2,5-xilenol|2,5-Xylenol|3,6-Dimethylphenol|3,6-Xylenol|4-06-00-03164|6-Methyl-m-cresol|BRN 1099260|EINECS 202-461-5|FEMA No. 3595|NSC 2599|p-Xylenol|Phenol, 2,5-dimethyl-|UNII-XH3E3564KX|145929-31-3|50356-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025145 https://doi.org/10.22427/NTP-DATA-DTXSID6025145
ARPathway2016 ARPathway2016_1771 2,5-Dimethylphenol 95-87-4 DTXSID6025145 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(O)=C(C)C=C1 2,5-Dimethylphenol 95-87-4|2,5-Dimethylphenol|1-Hydroxy-2,5-dimethylbenzene|1,2,5-Xylenol|1,4-Dimethyl-2-hydroxybenzene|2-Hydroxy-p-xylene|2,5-xilenol|2,5-Xylenol|3,6-Dimethylphenol|3,6-Xylenol|4-06-00-03164|6-Methyl-m-cresol|BRN 1099260|EINECS 202-461-5|FEMA No. 3595|NSC 2599|p-Xylenol|Phenol, 2,5-dimethyl-|UNII-XH3E3564KX|145929-31-3|50356-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025145 https://doi.org/10.22427/NTP-DATA-DTXSID6025145
ARPathway2016 ARPathway2016_1771 2,5-Dimethylphenol 95-87-4 DTXSID6025145 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(O)=C(C)C=C1 2,5-Dimethylphenol 95-87-4|2,5-Dimethylphenol|1-Hydroxy-2,5-dimethylbenzene|1,2,5-Xylenol|1,4-Dimethyl-2-hydroxybenzene|2-Hydroxy-p-xylene|2,5-xilenol|2,5-Xylenol|3,6-Dimethylphenol|3,6-Xylenol|4-06-00-03164|6-Methyl-m-cresol|BRN 1099260|EINECS 202-461-5|FEMA No. 3595|NSC 2599|p-Xylenol|Phenol, 2,5-dimethyl-|UNII-XH3E3564KX|145929-31-3|50356-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025145 https://doi.org/10.22427/NTP-DATA-DTXSID6025145
ARPathway2016 ARPathway2016_1771 2,5-Dimethylphenol 95-87-4 DTXSID6025145 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(O)=C(C)C=C1 2,5-Dimethylphenol 95-87-4|2,5-Dimethylphenol|1-Hydroxy-2,5-dimethylbenzene|1,2,5-Xylenol|1,4-Dimethyl-2-hydroxybenzene|2-Hydroxy-p-xylene|2,5-xilenol|2,5-Xylenol|3,6-Dimethylphenol|3,6-Xylenol|4-06-00-03164|6-Methyl-m-cresol|BRN 1099260|EINECS 202-461-5|FEMA No. 3595|NSC 2599|p-Xylenol|Phenol, 2,5-dimethyl-|UNII-XH3E3564KX|145929-31-3|50356-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025145 https://doi.org/10.22427/NTP-DATA-DTXSID6025145
ERPathway2016 ERPathway2016_1772 2,5-Dimethylphenol 95-87-4 DTXSID6025145 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(O)=C(C)C=C1 2,5-Dimethylphenol 95-87-4|2,5-Dimethylphenol|1-Hydroxy-2,5-dimethylbenzene|1,2,5-Xylenol|1,4-Dimethyl-2-hydroxybenzene|2-Hydroxy-p-xylene|2,5-xilenol|2,5-Xylenol|3,6-Dimethylphenol|3,6-Xylenol|4-06-00-03164|6-Methyl-m-cresol|BRN 1099260|EINECS 202-461-5|FEMA No. 3595|NSC 2599|p-Xylenol|Phenol, 2,5-dimethyl-|UNII-XH3E3564KX|145929-31-3|50356-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025145 https://doi.org/10.22427/NTP-DATA-DTXSID6025145
ERPathway2016 ERPathway2016_1772 2,5-Dimethylphenol 95-87-4 DTXSID6025145 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(O)=C(C)C=C1 2,5-Dimethylphenol 95-87-4|2,5-Dimethylphenol|1-Hydroxy-2,5-dimethylbenzene|1,2,5-Xylenol|1,4-Dimethyl-2-hydroxybenzene|2-Hydroxy-p-xylene|2,5-xilenol|2,5-Xylenol|3,6-Dimethylphenol|3,6-Xylenol|4-06-00-03164|6-Methyl-m-cresol|BRN 1099260|EINECS 202-461-5|FEMA No. 3595|NSC 2599|p-Xylenol|Phenol, 2,5-dimethyl-|UNII-XH3E3564KX|145929-31-3|50356-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025145 https://doi.org/10.22427/NTP-DATA-DTXSID6025145
ERPathway2016 ERPathway2016_1772 2,5-Dimethylphenol 95-87-4 DTXSID6025145 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(O)=C(C)C=C1 2,5-Dimethylphenol 95-87-4|2,5-Dimethylphenol|1-Hydroxy-2,5-dimethylbenzene|1,2,5-Xylenol|1,4-Dimethyl-2-hydroxybenzene|2-Hydroxy-p-xylene|2,5-xilenol|2,5-Xylenol|3,6-Dimethylphenol|3,6-Xylenol|4-06-00-03164|6-Methyl-m-cresol|BRN 1099260|EINECS 202-461-5|FEMA No. 3595|NSC 2599|p-Xylenol|Phenol, 2,5-dimethyl-|UNII-XH3E3564KX|145929-31-3|50356-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025145 https://doi.org/10.22427/NTP-DATA-DTXSID6025145
ERPathway2016 ERPathway2016_1772 2,5-Dimethylphenol 95-87-4 DTXSID6025145 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(O)=C(C)C=C1 2,5-Dimethylphenol 95-87-4|2,5-Dimethylphenol|1-Hydroxy-2,5-dimethylbenzene|1,2,5-Xylenol|1,4-Dimethyl-2-hydroxybenzene|2-Hydroxy-p-xylene|2,5-xilenol|2,5-Xylenol|3,6-Dimethylphenol|3,6-Xylenol|4-06-00-03164|6-Methyl-m-cresol|BRN 1099260|EINECS 202-461-5|FEMA No. 3595|NSC 2599|p-Xylenol|Phenol, 2,5-dimethyl-|UNII-XH3E3564KX|145929-31-3|50356-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025145 https://doi.org/10.22427/NTP-DATA-DTXSID6025145
ARPathway2016 ARPathway2016_306 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4 DTXSID8041248 True antagonist shift (Hit/Hit) 4.0 AR Pathway Model, Agonist AC50 34.8079919974549 uM CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4|2,5-Di-tert-butylbenzene-1,4-diol|1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-|1,4-Dihydroxy-2,5-di-tert-butylbenzene|2,5-Di-t-butylhydroquinone|2,5-di-tert--butyl-hydroquinone|2,5-Di-tert-butyl-1,4-benzenediol|2,5-Di-tert-butyl-1,4-benzohydroquinone|2,5-Di-tert-butyl-1,4-hydroquinone|2,5-Di-tert-butylhydroquinone|2,5-Di-tert-butylquinol|2,5-TBHQ|Antage DBH|BRN 2049542|EINECS 201-841-8|Hydrpquinone, 2,5-di-tert-butyl-|Naugard 451|Nocrac NS 7|Nonflex Alba|NSC 11|Santovar O|UNII-26XK13B61B https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041248
ARPathway2016 ARPathway2016_306 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4 DTXSID8041248 True antagonist shift (Hit/Hit) 4.0 AR Pathway Model, Agonist ACC 39.5813543500983 uM CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4|2,5-Di-tert-butylbenzene-1,4-diol|1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-|1,4-Dihydroxy-2,5-di-tert-butylbenzene|2,5-Di-t-butylhydroquinone|2,5-di-tert--butyl-hydroquinone|2,5-Di-tert-butyl-1,4-benzenediol|2,5-Di-tert-butyl-1,4-benzohydroquinone|2,5-Di-tert-butyl-1,4-hydroquinone|2,5-Di-tert-butylhydroquinone|2,5-Di-tert-butylquinol|2,5-TBHQ|Antage DBH|BRN 2049542|EINECS 201-841-8|Hydrpquinone, 2,5-di-tert-butyl-|Naugard 451|Nocrac NS 7|Nonflex Alba|NSC 11|Santovar O|UNII-26XK13B61B https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041248
ARPathway2016 ARPathway2016_306 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4 DTXSID8041248 True antagonist shift (Hit/Hit) 4.0 AR Pathway Model, Antagonist Model Score 0.0413 Unitless CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4|2,5-Di-tert-butylbenzene-1,4-diol|1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-|1,4-Dihydroxy-2,5-di-tert-butylbenzene|2,5-Di-t-butylhydroquinone|2,5-di-tert--butyl-hydroquinone|2,5-Di-tert-butyl-1,4-benzenediol|2,5-Di-tert-butyl-1,4-benzohydroquinone|2,5-Di-tert-butyl-1,4-hydroquinone|2,5-Di-tert-butylhydroquinone|2,5-Di-tert-butylquinol|2,5-TBHQ|Antage DBH|BRN 2049542|EINECS 201-841-8|Hydrpquinone, 2,5-di-tert-butyl-|Naugard 451|Nocrac NS 7|Nonflex Alba|NSC 11|Santovar O|UNII-26XK13B61B https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041248
ARPathway2016 ARPathway2016_306 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4 DTXSID8041248 True antagonist shift (Hit/Hit) 4.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4|2,5-Di-tert-butylbenzene-1,4-diol|1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-|1,4-Dihydroxy-2,5-di-tert-butylbenzene|2,5-Di-t-butylhydroquinone|2,5-di-tert--butyl-hydroquinone|2,5-Di-tert-butyl-1,4-benzenediol|2,5-Di-tert-butyl-1,4-benzohydroquinone|2,5-Di-tert-butyl-1,4-hydroquinone|2,5-Di-tert-butylhydroquinone|2,5-Di-tert-butylquinol|2,5-TBHQ|Antage DBH|BRN 2049542|EINECS 201-841-8|Hydrpquinone, 2,5-di-tert-butyl-|Naugard 451|Nocrac NS 7|Nonflex Alba|NSC 11|Santovar O|UNII-26XK13B61B https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041248
ARPathway2016 ARPathway2016_306 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4 DTXSID8041248 True antagonist shift (Hit/Hit) 4.0 AR Pathway Model, Agonist Call Active Unitless CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4|2,5-Di-tert-butylbenzene-1,4-diol|1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-|1,4-Dihydroxy-2,5-di-tert-butylbenzene|2,5-Di-t-butylhydroquinone|2,5-di-tert--butyl-hydroquinone|2,5-Di-tert-butyl-1,4-benzenediol|2,5-Di-tert-butyl-1,4-benzohydroquinone|2,5-Di-tert-butyl-1,4-hydroquinone|2,5-Di-tert-butylhydroquinone|2,5-Di-tert-butylquinol|2,5-TBHQ|Antage DBH|BRN 2049542|EINECS 201-841-8|Hydrpquinone, 2,5-di-tert-butyl-|Naugard 451|Nocrac NS 7|Nonflex Alba|NSC 11|Santovar O|UNII-26XK13B61B https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041248
ARPathway2016 ARPathway2016_306 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4 DTXSID8041248 True antagonist shift (Hit/Hit) 4.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4|2,5-Di-tert-butylbenzene-1,4-diol|1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-|1,4-Dihydroxy-2,5-di-tert-butylbenzene|2,5-Di-t-butylhydroquinone|2,5-di-tert--butyl-hydroquinone|2,5-Di-tert-butyl-1,4-benzenediol|2,5-Di-tert-butyl-1,4-benzohydroquinone|2,5-Di-tert-butyl-1,4-hydroquinone|2,5-Di-tert-butylhydroquinone|2,5-Di-tert-butylquinol|2,5-TBHQ|Antage DBH|BRN 2049542|EINECS 201-841-8|Hydrpquinone, 2,5-di-tert-butyl-|Naugard 451|Nocrac NS 7|Nonflex Alba|NSC 11|Santovar O|UNII-26XK13B61B https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041248
ERPathway2016 ERPathway2016_574 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4 DTXSID8041248 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4|2,5-Di-tert-butylbenzene-1,4-diol|1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-|1,4-Dihydroxy-2,5-di-tert-butylbenzene|2,5-Di-t-butylhydroquinone|2,5-di-tert--butyl-hydroquinone|2,5-Di-tert-butyl-1,4-benzenediol|2,5-Di-tert-butyl-1,4-benzohydroquinone|2,5-Di-tert-butyl-1,4-hydroquinone|2,5-Di-tert-butylhydroquinone|2,5-Di-tert-butylquinol|2,5-TBHQ|Antage DBH|BRN 2049542|EINECS 201-841-8|Hydrpquinone, 2,5-di-tert-butyl-|Naugard 451|Nocrac NS 7|Nonflex Alba|NSC 11|Santovar O|UNII-26XK13B61B https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041248
ERPathway2016 ERPathway2016_574 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4 DTXSID8041248 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4|2,5-Di-tert-butylbenzene-1,4-diol|1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-|1,4-Dihydroxy-2,5-di-tert-butylbenzene|2,5-Di-t-butylhydroquinone|2,5-di-tert--butyl-hydroquinone|2,5-Di-tert-butyl-1,4-benzenediol|2,5-Di-tert-butyl-1,4-benzohydroquinone|2,5-Di-tert-butyl-1,4-hydroquinone|2,5-Di-tert-butylhydroquinone|2,5-Di-tert-butylquinol|2,5-TBHQ|Antage DBH|BRN 2049542|EINECS 201-841-8|Hydrpquinone, 2,5-di-tert-butyl-|Naugard 451|Nocrac NS 7|Nonflex Alba|NSC 11|Santovar O|UNII-26XK13B61B https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041248
ERPathway2016 ERPathway2016_574 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4 DTXSID8041248 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4|2,5-Di-tert-butylbenzene-1,4-diol|1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-|1,4-Dihydroxy-2,5-di-tert-butylbenzene|2,5-Di-t-butylhydroquinone|2,5-di-tert--butyl-hydroquinone|2,5-Di-tert-butyl-1,4-benzenediol|2,5-Di-tert-butyl-1,4-benzohydroquinone|2,5-Di-tert-butyl-1,4-hydroquinone|2,5-Di-tert-butylhydroquinone|2,5-Di-tert-butylquinol|2,5-TBHQ|Antage DBH|BRN 2049542|EINECS 201-841-8|Hydrpquinone, 2,5-di-tert-butyl-|Naugard 451|Nocrac NS 7|Nonflex Alba|NSC 11|Santovar O|UNII-26XK13B61B https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041248
ERPathway2016 ERPathway2016_574 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4 DTXSID8041248 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C 2,5-Di-tert-butylbenzene-1,4-diol 88-58-4|2,5-Di-tert-butylbenzene-1,4-diol|1,4-Benzenediol, 2,5-bis(1,1-dimethylethyl)-|1,4-Dihydroxy-2,5-di-tert-butylbenzene|2,5-Di-t-butylhydroquinone|2,5-di-tert--butyl-hydroquinone|2,5-Di-tert-butyl-1,4-benzenediol|2,5-Di-tert-butyl-1,4-benzohydroquinone|2,5-Di-tert-butyl-1,4-hydroquinone|2,5-Di-tert-butylhydroquinone|2,5-Di-tert-butylquinol|2,5-TBHQ|Antage DBH|BRN 2049542|EINECS 201-841-8|Hydrpquinone, 2,5-di-tert-butyl-|Naugard 451|Nocrac NS 7|Nonflex Alba|NSC 11|Santovar O|UNII-26XK13B61B https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041248
ARPathway2016 ARPathway2016_1184 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1 DTXSID1044564 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)CCCN(C)CCCN(C)C 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1|2,6,10-Trimethyl-2,6,10-triazaundecane|1,3-Propanediamine, N-[3-(dimethylamino)propyl]-N,N',N'-trimethyl-|1, 3- Propanediamine, N1- [3- (dimethylamino) propyl] - N1, N3, N3- trimethyl-|3,3'-Bis(dimethylamino)-N-methyldipropylamine|3,3'-Bis(dimethylaminopropyl)methylamine|Bis[3-(dimethylamino)propyl]methylamine|Dipropylamine, 3,3'-bis(dimethylamino)-N-methyl-|EINECS 223-362-3|Jeffcat ZR 40|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethyl-1,3-propanediamine|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethylpropane-1,3-diamine|N-Methyl-N,N-bis(3-dimethylaminopropyl)amine|N-Methylbis[3-(dimethylamino)propyl]amine|N,N,N'-Trimethyl-N'-(3-(dimethylamino)propyl)-1,3-propanediamine|N,N,N',N',N'-Pentamethyldipropylenetriamine|N,N,N',N',N''-Pentamethyliminobis(propylamine)|N,N,N',N'',N''-Pentamethyldi-1,3-propylenetriamine|N,N,N',N'',N''-Pentamethyldipropylenetriamine|N,N'-[(Methylimino)bis(trimethylene)]bis[dimethylamine]|NSC 123346|Pentamethyliminobispropylamine|Polycat 77|PROPANE-1,3-DIAMINE, N-(3-(DIMETHYLAMINO)PROPYL)- N,N',N'-TRIMETHYL-|880874-60-2|89126-78-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044564
ARPathway2016 ARPathway2016_1184 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1 DTXSID1044564 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)CCCN(C)CCCN(C)C 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1|2,6,10-Trimethyl-2,6,10-triazaundecane|1,3-Propanediamine, N-[3-(dimethylamino)propyl]-N,N',N'-trimethyl-|1, 3- Propanediamine, N1- [3- (dimethylamino) propyl] - N1, N3, N3- trimethyl-|3,3'-Bis(dimethylamino)-N-methyldipropylamine|3,3'-Bis(dimethylaminopropyl)methylamine|Bis[3-(dimethylamino)propyl]methylamine|Dipropylamine, 3,3'-bis(dimethylamino)-N-methyl-|EINECS 223-362-3|Jeffcat ZR 40|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethyl-1,3-propanediamine|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethylpropane-1,3-diamine|N-Methyl-N,N-bis(3-dimethylaminopropyl)amine|N-Methylbis[3-(dimethylamino)propyl]amine|N,N,N'-Trimethyl-N'-(3-(dimethylamino)propyl)-1,3-propanediamine|N,N,N',N',N'-Pentamethyldipropylenetriamine|N,N,N',N',N''-Pentamethyliminobis(propylamine)|N,N,N',N'',N''-Pentamethyldi-1,3-propylenetriamine|N,N,N',N'',N''-Pentamethyldipropylenetriamine|N,N'-[(Methylimino)bis(trimethylene)]bis[dimethylamine]|NSC 123346|Pentamethyliminobispropylamine|Polycat 77|PROPANE-1,3-DIAMINE, N-(3-(DIMETHYLAMINO)PROPYL)- N,N',N'-TRIMETHYL-|880874-60-2|89126-78-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044564
ARPathway2016 ARPathway2016_1184 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1 DTXSID1044564 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CN(C)CCCN(C)CCCN(C)C 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1|2,6,10-Trimethyl-2,6,10-triazaundecane|1,3-Propanediamine, N-[3-(dimethylamino)propyl]-N,N',N'-trimethyl-|1, 3- Propanediamine, N1- [3- (dimethylamino) propyl] - N1, N3, N3- trimethyl-|3,3'-Bis(dimethylamino)-N-methyldipropylamine|3,3'-Bis(dimethylaminopropyl)methylamine|Bis[3-(dimethylamino)propyl]methylamine|Dipropylamine, 3,3'-bis(dimethylamino)-N-methyl-|EINECS 223-362-3|Jeffcat ZR 40|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethyl-1,3-propanediamine|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethylpropane-1,3-diamine|N-Methyl-N,N-bis(3-dimethylaminopropyl)amine|N-Methylbis[3-(dimethylamino)propyl]amine|N,N,N'-Trimethyl-N'-(3-(dimethylamino)propyl)-1,3-propanediamine|N,N,N',N',N'-Pentamethyldipropylenetriamine|N,N,N',N',N''-Pentamethyliminobis(propylamine)|N,N,N',N'',N''-Pentamethyldi-1,3-propylenetriamine|N,N,N',N'',N''-Pentamethyldipropylenetriamine|N,N'-[(Methylimino)bis(trimethylene)]bis[dimethylamine]|NSC 123346|Pentamethyliminobispropylamine|Polycat 77|PROPANE-1,3-DIAMINE, N-(3-(DIMETHYLAMINO)PROPYL)- N,N',N'-TRIMETHYL-|880874-60-2|89126-78-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044564
ARPathway2016 ARPathway2016_1184 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1 DTXSID1044564 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)CCCN(C)CCCN(C)C 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1|2,6,10-Trimethyl-2,6,10-triazaundecane|1,3-Propanediamine, N-[3-(dimethylamino)propyl]-N,N',N'-trimethyl-|1, 3- Propanediamine, N1- [3- (dimethylamino) propyl] - N1, N3, N3- trimethyl-|3,3'-Bis(dimethylamino)-N-methyldipropylamine|3,3'-Bis(dimethylaminopropyl)methylamine|Bis[3-(dimethylamino)propyl]methylamine|Dipropylamine, 3,3'-bis(dimethylamino)-N-methyl-|EINECS 223-362-3|Jeffcat ZR 40|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethyl-1,3-propanediamine|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethylpropane-1,3-diamine|N-Methyl-N,N-bis(3-dimethylaminopropyl)amine|N-Methylbis[3-(dimethylamino)propyl]amine|N,N,N'-Trimethyl-N'-(3-(dimethylamino)propyl)-1,3-propanediamine|N,N,N',N',N'-Pentamethyldipropylenetriamine|N,N,N',N',N''-Pentamethyliminobis(propylamine)|N,N,N',N'',N''-Pentamethyldi-1,3-propylenetriamine|N,N,N',N'',N''-Pentamethyldipropylenetriamine|N,N'-[(Methylimino)bis(trimethylene)]bis[dimethylamine]|NSC 123346|Pentamethyliminobispropylamine|Polycat 77|PROPANE-1,3-DIAMINE, N-(3-(DIMETHYLAMINO)PROPYL)- N,N',N'-TRIMETHYL-|880874-60-2|89126-78-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044564
ERPathway2016 ERPathway2016_429 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1 DTXSID1044564 ER Pathway Model, Antagonist AC50 72.1872515843092 uM CN(C)CCCN(C)CCCN(C)C 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1|2,6,10-Trimethyl-2,6,10-triazaundecane|1,3-Propanediamine, N-[3-(dimethylamino)propyl]-N,N',N'-trimethyl-|1, 3- Propanediamine, N1- [3- (dimethylamino) propyl] - N1, N3, N3- trimethyl-|3,3'-Bis(dimethylamino)-N-methyldipropylamine|3,3'-Bis(dimethylaminopropyl)methylamine|Bis[3-(dimethylamino)propyl]methylamine|Dipropylamine, 3,3'-bis(dimethylamino)-N-methyl-|EINECS 223-362-3|Jeffcat ZR 40|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethyl-1,3-propanediamine|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethylpropane-1,3-diamine|N-Methyl-N,N-bis(3-dimethylaminopropyl)amine|N-Methylbis[3-(dimethylamino)propyl]amine|N,N,N'-Trimethyl-N'-(3-(dimethylamino)propyl)-1,3-propanediamine|N,N,N',N',N'-Pentamethyldipropylenetriamine|N,N,N',N',N''-Pentamethyliminobis(propylamine)|N,N,N',N'',N''-Pentamethyldi-1,3-propylenetriamine|N,N,N',N'',N''-Pentamethyldipropylenetriamine|N,N'-[(Methylimino)bis(trimethylene)]bis[dimethylamine]|NSC 123346|Pentamethyliminobispropylamine|Polycat 77|PROPANE-1,3-DIAMINE, N-(3-(DIMETHYLAMINO)PROPYL)- N,N',N'-TRIMETHYL-|880874-60-2|89126-78-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044564
ERPathway2016 ERPathway2016_429 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1 DTXSID1044564 ER Pathway Model, Antagonist ACC 56.4861693328505 uM CN(C)CCCN(C)CCCN(C)C 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1|2,6,10-Trimethyl-2,6,10-triazaundecane|1,3-Propanediamine, N-[3-(dimethylamino)propyl]-N,N',N'-trimethyl-|1, 3- Propanediamine, N1- [3- (dimethylamino) propyl] - N1, N3, N3- trimethyl-|3,3'-Bis(dimethylamino)-N-methyldipropylamine|3,3'-Bis(dimethylaminopropyl)methylamine|Bis[3-(dimethylamino)propyl]methylamine|Dipropylamine, 3,3'-bis(dimethylamino)-N-methyl-|EINECS 223-362-3|Jeffcat ZR 40|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethyl-1,3-propanediamine|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethylpropane-1,3-diamine|N-Methyl-N,N-bis(3-dimethylaminopropyl)amine|N-Methylbis[3-(dimethylamino)propyl]amine|N,N,N'-Trimethyl-N'-(3-(dimethylamino)propyl)-1,3-propanediamine|N,N,N',N',N'-Pentamethyldipropylenetriamine|N,N,N',N',N''-Pentamethyliminobis(propylamine)|N,N,N',N'',N''-Pentamethyldi-1,3-propylenetriamine|N,N,N',N'',N''-Pentamethyldipropylenetriamine|N,N'-[(Methylimino)bis(trimethylene)]bis[dimethylamine]|NSC 123346|Pentamethyliminobispropylamine|Polycat 77|PROPANE-1,3-DIAMINE, N-(3-(DIMETHYLAMINO)PROPYL)- N,N',N'-TRIMETHYL-|880874-60-2|89126-78-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044564
ERPathway2016 ERPathway2016_429 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1 DTXSID1044564 ER Pathway Model, Agonist Model Score 0.00669 Unitless CN(C)CCCN(C)CCCN(C)C 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1|2,6,10-Trimethyl-2,6,10-triazaundecane|1,3-Propanediamine, N-[3-(dimethylamino)propyl]-N,N',N'-trimethyl-|1, 3- Propanediamine, N1- [3- (dimethylamino) propyl] - N1, N3, N3- trimethyl-|3,3'-Bis(dimethylamino)-N-methyldipropylamine|3,3'-Bis(dimethylaminopropyl)methylamine|Bis[3-(dimethylamino)propyl]methylamine|Dipropylamine, 3,3'-bis(dimethylamino)-N-methyl-|EINECS 223-362-3|Jeffcat ZR 40|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethyl-1,3-propanediamine|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethylpropane-1,3-diamine|N-Methyl-N,N-bis(3-dimethylaminopropyl)amine|N-Methylbis[3-(dimethylamino)propyl]amine|N,N,N'-Trimethyl-N'-(3-(dimethylamino)propyl)-1,3-propanediamine|N,N,N',N',N'-Pentamethyldipropylenetriamine|N,N,N',N',N''-Pentamethyliminobis(propylamine)|N,N,N',N'',N''-Pentamethyldi-1,3-propylenetriamine|N,N,N',N'',N''-Pentamethyldipropylenetriamine|N,N'-[(Methylimino)bis(trimethylene)]bis[dimethylamine]|NSC 123346|Pentamethyliminobispropylamine|Polycat 77|PROPANE-1,3-DIAMINE, N-(3-(DIMETHYLAMINO)PROPYL)- N,N',N'-TRIMETHYL-|880874-60-2|89126-78-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044564
ERPathway2016 ERPathway2016_429 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1 DTXSID1044564 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)CCCN(C)CCCN(C)C 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1|2,6,10-Trimethyl-2,6,10-triazaundecane|1,3-Propanediamine, N-[3-(dimethylamino)propyl]-N,N',N'-trimethyl-|1, 3- Propanediamine, N1- [3- (dimethylamino) propyl] - N1, N3, N3- trimethyl-|3,3'-Bis(dimethylamino)-N-methyldipropylamine|3,3'-Bis(dimethylaminopropyl)methylamine|Bis[3-(dimethylamino)propyl]methylamine|Dipropylamine, 3,3'-bis(dimethylamino)-N-methyl-|EINECS 223-362-3|Jeffcat ZR 40|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethyl-1,3-propanediamine|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethylpropane-1,3-diamine|N-Methyl-N,N-bis(3-dimethylaminopropyl)amine|N-Methylbis[3-(dimethylamino)propyl]amine|N,N,N'-Trimethyl-N'-(3-(dimethylamino)propyl)-1,3-propanediamine|N,N,N',N',N'-Pentamethyldipropylenetriamine|N,N,N',N',N''-Pentamethyliminobis(propylamine)|N,N,N',N'',N''-Pentamethyldi-1,3-propylenetriamine|N,N,N',N'',N''-Pentamethyldipropylenetriamine|N,N'-[(Methylimino)bis(trimethylene)]bis[dimethylamine]|NSC 123346|Pentamethyliminobispropylamine|Polycat 77|PROPANE-1,3-DIAMINE, N-(3-(DIMETHYLAMINO)PROPYL)- N,N',N'-TRIMETHYL-|880874-60-2|89126-78-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044564
ERPathway2016 ERPathway2016_429 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1 DTXSID1044564 ER Pathway Model, Agonist Call Inactive Unitless CN(C)CCCN(C)CCCN(C)C 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1|2,6,10-Trimethyl-2,6,10-triazaundecane|1,3-Propanediamine, N-[3-(dimethylamino)propyl]-N,N',N'-trimethyl-|1, 3- Propanediamine, N1- [3- (dimethylamino) propyl] - N1, N3, N3- trimethyl-|3,3'-Bis(dimethylamino)-N-methyldipropylamine|3,3'-Bis(dimethylaminopropyl)methylamine|Bis[3-(dimethylamino)propyl]methylamine|Dipropylamine, 3,3'-bis(dimethylamino)-N-methyl-|EINECS 223-362-3|Jeffcat ZR 40|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethyl-1,3-propanediamine|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethylpropane-1,3-diamine|N-Methyl-N,N-bis(3-dimethylaminopropyl)amine|N-Methylbis[3-(dimethylamino)propyl]amine|N,N,N'-Trimethyl-N'-(3-(dimethylamino)propyl)-1,3-propanediamine|N,N,N',N',N'-Pentamethyldipropylenetriamine|N,N,N',N',N''-Pentamethyliminobis(propylamine)|N,N,N',N'',N''-Pentamethyldi-1,3-propylenetriamine|N,N,N',N'',N''-Pentamethyldipropylenetriamine|N,N'-[(Methylimino)bis(trimethylene)]bis[dimethylamine]|NSC 123346|Pentamethyliminobispropylamine|Polycat 77|PROPANE-1,3-DIAMINE, N-(3-(DIMETHYLAMINO)PROPYL)- N,N',N'-TRIMETHYL-|880874-60-2|89126-78-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044564
ERPathway2016 ERPathway2016_429 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1 DTXSID1044564 ER Pathway Model, Antagonist Call Active Unitless CN(C)CCCN(C)CCCN(C)C 2,6,10-Trimethyl-2,6,10-triazaundecane 3855-32-1|2,6,10-Trimethyl-2,6,10-triazaundecane|1,3-Propanediamine, N-[3-(dimethylamino)propyl]-N,N',N'-trimethyl-|1, 3- Propanediamine, N1- [3- (dimethylamino) propyl] - N1, N3, N3- trimethyl-|3,3'-Bis(dimethylamino)-N-methyldipropylamine|3,3'-Bis(dimethylaminopropyl)methylamine|Bis[3-(dimethylamino)propyl]methylamine|Dipropylamine, 3,3'-bis(dimethylamino)-N-methyl-|EINECS 223-362-3|Jeffcat ZR 40|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethyl-1,3-propanediamine|N-[3-(Dimethylamino)propyl]-N,N',N'-trimethylpropane-1,3-diamine|N-Methyl-N,N-bis(3-dimethylaminopropyl)amine|N-Methylbis[3-(dimethylamino)propyl]amine|N,N,N'-Trimethyl-N'-(3-(dimethylamino)propyl)-1,3-propanediamine|N,N,N',N',N'-Pentamethyldipropylenetriamine|N,N,N',N',N''-Pentamethyliminobis(propylamine)|N,N,N',N'',N''-Pentamethyldi-1,3-propylenetriamine|N,N,N',N'',N''-Pentamethyldipropylenetriamine|N,N'-[(Methylimino)bis(trimethylene)]bis[dimethylamine]|NSC 123346|Pentamethyliminobispropylamine|Polycat 77|PROPANE-1,3-DIAMINE, N-(3-(DIMETHYLAMINO)PROPYL)- N,N',N'-TRIMETHYL-|880874-60-2|89126-78-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044564
ARPathway2016 ARPathway2016_714 2,6,8-Trimethyl-4-nonanol 123-17-1 DTXSID8029159 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)CC(C)CC(O)CC(C)C 2,6,8-Trimethyl-4-nonanol 123-17-1|2,6,8-Trimethyl-4-nonanol|2,4,8-Trimethyl-6-nonanol|2,6,8-Trimethylnonanol-4|4-Nonanol, 2,6,8-trimethyl-|BRN 1840251|EINECS 204-606-8|NSC 60574|19870-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029159
ARPathway2016 ARPathway2016_714 2,6,8-Trimethyl-4-nonanol 123-17-1 DTXSID8029159 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)CC(C)CC(O)CC(C)C 2,6,8-Trimethyl-4-nonanol 123-17-1|2,6,8-Trimethyl-4-nonanol|2,4,8-Trimethyl-6-nonanol|2,6,8-Trimethylnonanol-4|4-Nonanol, 2,6,8-trimethyl-|BRN 1840251|EINECS 204-606-8|NSC 60574|19870-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029159
ARPathway2016 ARPathway2016_714 2,6,8-Trimethyl-4-nonanol 123-17-1 DTXSID8029159 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)CC(C)CC(O)CC(C)C 2,6,8-Trimethyl-4-nonanol 123-17-1|2,6,8-Trimethyl-4-nonanol|2,4,8-Trimethyl-6-nonanol|2,6,8-Trimethylnonanol-4|4-Nonanol, 2,6,8-trimethyl-|BRN 1840251|EINECS 204-606-8|NSC 60574|19870-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029159
ARPathway2016 ARPathway2016_714 2,6,8-Trimethyl-4-nonanol 123-17-1 DTXSID8029159 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)CC(C)CC(O)CC(C)C 2,6,8-Trimethyl-4-nonanol 123-17-1|2,6,8-Trimethyl-4-nonanol|2,4,8-Trimethyl-6-nonanol|2,6,8-Trimethylnonanol-4|4-Nonanol, 2,6,8-trimethyl-|BRN 1840251|EINECS 204-606-8|NSC 60574|19870-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029159
ERPathway2016 ERPathway2016_472 2,6,8-Trimethyl-4-nonanol 123-17-1 DTXSID8029159 ER Pathway Model, Antagonist AC50 15.2512207071575 uM CC(C)CC(C)CC(O)CC(C)C 2,6,8-Trimethyl-4-nonanol 123-17-1|2,6,8-Trimethyl-4-nonanol|2,4,8-Trimethyl-6-nonanol|2,6,8-Trimethylnonanol-4|4-Nonanol, 2,6,8-trimethyl-|BRN 1840251|EINECS 204-606-8|NSC 60574|19870-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029159
ERPathway2016 ERPathway2016_472 2,6,8-Trimethyl-4-nonanol 123-17-1 DTXSID8029159 ER Pathway Model, Antagonist ACC 13.0621625272341 uM CC(C)CC(C)CC(O)CC(C)C 2,6,8-Trimethyl-4-nonanol 123-17-1|2,6,8-Trimethyl-4-nonanol|2,4,8-Trimethyl-6-nonanol|2,6,8-Trimethylnonanol-4|4-Nonanol, 2,6,8-trimethyl-|BRN 1840251|EINECS 204-606-8|NSC 60574|19870-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029159
ERPathway2016 ERPathway2016_472 2,6,8-Trimethyl-4-nonanol 123-17-1 DTXSID8029159 ER Pathway Model, Agonist Model Score 0.00239 Unitless CC(C)CC(C)CC(O)CC(C)C 2,6,8-Trimethyl-4-nonanol 123-17-1|2,6,8-Trimethyl-4-nonanol|2,4,8-Trimethyl-6-nonanol|2,6,8-Trimethylnonanol-4|4-Nonanol, 2,6,8-trimethyl-|BRN 1840251|EINECS 204-606-8|NSC 60574|19870-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029159
ERPathway2016 ERPathway2016_472 2,6,8-Trimethyl-4-nonanol 123-17-1 DTXSID8029159 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)CC(C)CC(O)CC(C)C 2,6,8-Trimethyl-4-nonanol 123-17-1|2,6,8-Trimethyl-4-nonanol|2,4,8-Trimethyl-6-nonanol|2,6,8-Trimethylnonanol-4|4-Nonanol, 2,6,8-trimethyl-|BRN 1840251|EINECS 204-606-8|NSC 60574|19870-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029159
ERPathway2016 ERPathway2016_472 2,6,8-Trimethyl-4-nonanol 123-17-1 DTXSID8029159 ER Pathway Model, Agonist Call Inactive Unitless CC(C)CC(C)CC(O)CC(C)C 2,6,8-Trimethyl-4-nonanol 123-17-1|2,6,8-Trimethyl-4-nonanol|2,4,8-Trimethyl-6-nonanol|2,6,8-Trimethylnonanol-4|4-Nonanol, 2,6,8-trimethyl-|BRN 1840251|EINECS 204-606-8|NSC 60574|19870-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029159
ERPathway2016 ERPathway2016_472 2,6,8-Trimethyl-4-nonanol 123-17-1 DTXSID8029159 ER Pathway Model, Antagonist Call Active Unitless CC(C)CC(C)CC(O)CC(C)C 2,6,8-Trimethyl-4-nonanol 123-17-1|2,6,8-Trimethyl-4-nonanol|2,4,8-Trimethyl-6-nonanol|2,6,8-Trimethylnonanol-4|4-Nonanol, 2,6,8-trimethyl-|BRN 1840251|EINECS 204-606-8|NSC 60574|19870-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029159
ARPathway2016 ARPathway2016_658 2,6-Dichlorobenzonitrile 1194-65-6 DTXSID5032365 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=CC(Cl)=C1C#N 2,6-Dichlorobenzonitrile 1194-65-6|2,6-Dichlorobenzonitrile|2,6-DBN|2,6-Dichlorbenzonitril|2,6-Dichlorobenzoic acid nitrile|2,6-Dichlorobenzonitrile|2,6-Dichlorocyanobenzene|2,6-Dichlorophenyl cyanide|Benzonitrile, 2,6-dichloro-|BRN 1909167|Casoron|Casoron 133|Casoron G|Casoron G-10|Casoron G-4|Casoron G20 SR|Casoron gsr|Casoron W-50|Caswell No. 297|Cyclomec|DBN|DCB|Decabane|Dichlobanil|Dichlobenil|diclobenil|DU-Sprex|Dyclomec|EINECS 214-787-5|EPA Pesticide Chemical Code 027401|Niagara 5,996|Niagara 5996|Norosac|NSC 521490|Prefix D|Surfassol|UNII-N42NR4196R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032365
ARPathway2016 ARPathway2016_658 2,6-Dichlorobenzonitrile 1194-65-6 DTXSID5032365 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=CC(Cl)=C1C#N 2,6-Dichlorobenzonitrile 1194-65-6|2,6-Dichlorobenzonitrile|2,6-DBN|2,6-Dichlorbenzonitril|2,6-Dichlorobenzoic acid nitrile|2,6-Dichlorobenzonitrile|2,6-Dichlorocyanobenzene|2,6-Dichlorophenyl cyanide|Benzonitrile, 2,6-dichloro-|BRN 1909167|Casoron|Casoron 133|Casoron G|Casoron G-10|Casoron G-4|Casoron G20 SR|Casoron gsr|Casoron W-50|Caswell No. 297|Cyclomec|DBN|DCB|Decabane|Dichlobanil|Dichlobenil|diclobenil|DU-Sprex|Dyclomec|EINECS 214-787-5|EPA Pesticide Chemical Code 027401|Niagara 5,996|Niagara 5996|Norosac|NSC 521490|Prefix D|Surfassol|UNII-N42NR4196R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032365
ARPathway2016 ARPathway2016_658 2,6-Dichlorobenzonitrile 1194-65-6 DTXSID5032365 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC1=CC=CC(Cl)=C1C#N 2,6-Dichlorobenzonitrile 1194-65-6|2,6-Dichlorobenzonitrile|2,6-DBN|2,6-Dichlorbenzonitril|2,6-Dichlorobenzoic acid nitrile|2,6-Dichlorobenzonitrile|2,6-Dichlorocyanobenzene|2,6-Dichlorophenyl cyanide|Benzonitrile, 2,6-dichloro-|BRN 1909167|Casoron|Casoron 133|Casoron G|Casoron G-10|Casoron G-4|Casoron G20 SR|Casoron gsr|Casoron W-50|Caswell No. 297|Cyclomec|DBN|DCB|Decabane|Dichlobanil|Dichlobenil|diclobenil|DU-Sprex|Dyclomec|EINECS 214-787-5|EPA Pesticide Chemical Code 027401|Niagara 5,996|Niagara 5996|Norosac|NSC 521490|Prefix D|Surfassol|UNII-N42NR4196R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032365
ARPathway2016 ARPathway2016_658 2,6-Dichlorobenzonitrile 1194-65-6 DTXSID5032365 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=CC(Cl)=C1C#N 2,6-Dichlorobenzonitrile 1194-65-6|2,6-Dichlorobenzonitrile|2,6-DBN|2,6-Dichlorbenzonitril|2,6-Dichlorobenzoic acid nitrile|2,6-Dichlorobenzonitrile|2,6-Dichlorocyanobenzene|2,6-Dichlorophenyl cyanide|Benzonitrile, 2,6-dichloro-|BRN 1909167|Casoron|Casoron 133|Casoron G|Casoron G-10|Casoron G-4|Casoron G20 SR|Casoron gsr|Casoron W-50|Caswell No. 297|Cyclomec|DBN|DCB|Decabane|Dichlobanil|Dichlobenil|diclobenil|DU-Sprex|Dyclomec|EINECS 214-787-5|EPA Pesticide Chemical Code 027401|Niagara 5,996|Niagara 5996|Norosac|NSC 521490|Prefix D|Surfassol|UNII-N42NR4196R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032365
ERPathway2016 ERPathway2016_1203 2,6-Dichlorobenzonitrile 1194-65-6 DTXSID5032365 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=CC(Cl)=C1C#N 2,6-Dichlorobenzonitrile 1194-65-6|2,6-Dichlorobenzonitrile|2,6-DBN|2,6-Dichlorbenzonitril|2,6-Dichlorobenzoic acid nitrile|2,6-Dichlorobenzonitrile|2,6-Dichlorocyanobenzene|2,6-Dichlorophenyl cyanide|Benzonitrile, 2,6-dichloro-|BRN 1909167|Casoron|Casoron 133|Casoron G|Casoron G-10|Casoron G-4|Casoron G20 SR|Casoron gsr|Casoron W-50|Caswell No. 297|Cyclomec|DBN|DCB|Decabane|Dichlobanil|Dichlobenil|diclobenil|DU-Sprex|Dyclomec|EINECS 214-787-5|EPA Pesticide Chemical Code 027401|Niagara 5,996|Niagara 5996|Norosac|NSC 521490|Prefix D|Surfassol|UNII-N42NR4196R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032365
ERPathway2016 ERPathway2016_1203 2,6-Dichlorobenzonitrile 1194-65-6 DTXSID5032365 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=CC(Cl)=C1C#N 2,6-Dichlorobenzonitrile 1194-65-6|2,6-Dichlorobenzonitrile|2,6-DBN|2,6-Dichlorbenzonitril|2,6-Dichlorobenzoic acid nitrile|2,6-Dichlorobenzonitrile|2,6-Dichlorocyanobenzene|2,6-Dichlorophenyl cyanide|Benzonitrile, 2,6-dichloro-|BRN 1909167|Casoron|Casoron 133|Casoron G|Casoron G-10|Casoron G-4|Casoron G20 SR|Casoron gsr|Casoron W-50|Caswell No. 297|Cyclomec|DBN|DCB|Decabane|Dichlobanil|Dichlobenil|diclobenil|DU-Sprex|Dyclomec|EINECS 214-787-5|EPA Pesticide Chemical Code 027401|Niagara 5,996|Niagara 5996|Norosac|NSC 521490|Prefix D|Surfassol|UNII-N42NR4196R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032365
ERPathway2016 ERPathway2016_1203 2,6-Dichlorobenzonitrile 1194-65-6 DTXSID5032365 ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC=CC(Cl)=C1C#N 2,6-Dichlorobenzonitrile 1194-65-6|2,6-Dichlorobenzonitrile|2,6-DBN|2,6-Dichlorbenzonitril|2,6-Dichlorobenzoic acid nitrile|2,6-Dichlorobenzonitrile|2,6-Dichlorocyanobenzene|2,6-Dichlorophenyl cyanide|Benzonitrile, 2,6-dichloro-|BRN 1909167|Casoron|Casoron 133|Casoron G|Casoron G-10|Casoron G-4|Casoron G20 SR|Casoron gsr|Casoron W-50|Caswell No. 297|Cyclomec|DBN|DCB|Decabane|Dichlobanil|Dichlobenil|diclobenil|DU-Sprex|Dyclomec|EINECS 214-787-5|EPA Pesticide Chemical Code 027401|Niagara 5,996|Niagara 5996|Norosac|NSC 521490|Prefix D|Surfassol|UNII-N42NR4196R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032365
ERPathway2016 ERPathway2016_1203 2,6-Dichlorobenzonitrile 1194-65-6 DTXSID5032365 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=CC(Cl)=C1C#N 2,6-Dichlorobenzonitrile 1194-65-6|2,6-Dichlorobenzonitrile|2,6-DBN|2,6-Dichlorbenzonitril|2,6-Dichlorobenzoic acid nitrile|2,6-Dichlorobenzonitrile|2,6-Dichlorocyanobenzene|2,6-Dichlorophenyl cyanide|Benzonitrile, 2,6-dichloro-|BRN 1909167|Casoron|Casoron 133|Casoron G|Casoron G-10|Casoron G-4|Casoron G20 SR|Casoron gsr|Casoron W-50|Caswell No. 297|Cyclomec|DBN|DCB|Decabane|Dichlobanil|Dichlobenil|diclobenil|DU-Sprex|Dyclomec|EINECS 214-787-5|EPA Pesticide Chemical Code 027401|Niagara 5,996|Niagara 5996|Norosac|NSC 521490|Prefix D|Surfassol|UNII-N42NR4196R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032365
ARPathway2016 ARPathway2016_1350 2,6-Diethylaniline 579-66-8 DTXSID6027218 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC1=CC=CC(CC)=C1N 2,6-Diethylaniline 579-66-8|2,6-Diethylaniline|2,6-Diethyl aniline|2,6-Diethylbenzenamine|4-12-00-02841|Alachlor metabolite 2,6-diethylaniline|Benzenamine, 2,6-diethyl-|BRN 1423626|EINECS 209-445-7|UNII-VT2234594H|1123533-25-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027218 https://doi.org/10.22427/NTP-DATA-DTXSID6027218
ARPathway2016 ARPathway2016_1350 2,6-Diethylaniline 579-66-8 DTXSID6027218 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC1=CC=CC(CC)=C1N 2,6-Diethylaniline 579-66-8|2,6-Diethylaniline|2,6-Diethyl aniline|2,6-Diethylbenzenamine|4-12-00-02841|Alachlor metabolite 2,6-diethylaniline|Benzenamine, 2,6-diethyl-|BRN 1423626|EINECS 209-445-7|UNII-VT2234594H|1123533-25-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027218 https://doi.org/10.22427/NTP-DATA-DTXSID6027218
ARPathway2016 ARPathway2016_1350 2,6-Diethylaniline 579-66-8 DTXSID6027218 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC1=CC=CC(CC)=C1N 2,6-Diethylaniline 579-66-8|2,6-Diethylaniline|2,6-Diethyl aniline|2,6-Diethylbenzenamine|4-12-00-02841|Alachlor metabolite 2,6-diethylaniline|Benzenamine, 2,6-diethyl-|BRN 1423626|EINECS 209-445-7|UNII-VT2234594H|1123533-25-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027218 https://doi.org/10.22427/NTP-DATA-DTXSID6027218
ARPathway2016 ARPathway2016_1350 2,6-Diethylaniline 579-66-8 DTXSID6027218 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC1=CC=CC(CC)=C1N 2,6-Diethylaniline 579-66-8|2,6-Diethylaniline|2,6-Diethyl aniline|2,6-Diethylbenzenamine|4-12-00-02841|Alachlor metabolite 2,6-diethylaniline|Benzenamine, 2,6-diethyl-|BRN 1423626|EINECS 209-445-7|UNII-VT2234594H|1123533-25-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027218 https://doi.org/10.22427/NTP-DATA-DTXSID6027218
ERPathway2016 ERPathway2016_1041 2,6-Diethylaniline 579-66-8 DTXSID6027218 ER Pathway Model, Agonist Model Score 0 Unitless CCC1=CC=CC(CC)=C1N 2,6-Diethylaniline 579-66-8|2,6-Diethylaniline|2,6-Diethyl aniline|2,6-Diethylbenzenamine|4-12-00-02841|Alachlor metabolite 2,6-diethylaniline|Benzenamine, 2,6-diethyl-|BRN 1423626|EINECS 209-445-7|UNII-VT2234594H|1123533-25-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027218 https://doi.org/10.22427/NTP-DATA-DTXSID6027218
ERPathway2016 ERPathway2016_1041 2,6-Diethylaniline 579-66-8 DTXSID6027218 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=CC=CC(CC)=C1N 2,6-Diethylaniline 579-66-8|2,6-Diethylaniline|2,6-Diethyl aniline|2,6-Diethylbenzenamine|4-12-00-02841|Alachlor metabolite 2,6-diethylaniline|Benzenamine, 2,6-diethyl-|BRN 1423626|EINECS 209-445-7|UNII-VT2234594H|1123533-25-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027218 https://doi.org/10.22427/NTP-DATA-DTXSID6027218
ERPathway2016 ERPathway2016_1041 2,6-Diethylaniline 579-66-8 DTXSID6027218 ER Pathway Model, Agonist Call Inactive Unitless CCC1=CC=CC(CC)=C1N 2,6-Diethylaniline 579-66-8|2,6-Diethylaniline|2,6-Diethyl aniline|2,6-Diethylbenzenamine|4-12-00-02841|Alachlor metabolite 2,6-diethylaniline|Benzenamine, 2,6-diethyl-|BRN 1423626|EINECS 209-445-7|UNII-VT2234594H|1123533-25-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027218 https://doi.org/10.22427/NTP-DATA-DTXSID6027218
ERPathway2016 ERPathway2016_1041 2,6-Diethylaniline 579-66-8 DTXSID6027218 ER Pathway Model, Antagonist Call Inactive Unitless CCC1=CC=CC(CC)=C1N 2,6-Diethylaniline 579-66-8|2,6-Diethylaniline|2,6-Diethyl aniline|2,6-Diethylbenzenamine|4-12-00-02841|Alachlor metabolite 2,6-diethylaniline|Benzenamine, 2,6-diethyl-|BRN 1423626|EINECS 209-445-7|UNII-VT2234594H|1123533-25-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027218 https://doi.org/10.22427/NTP-DATA-DTXSID6027218
ARPathway2016 ARPathway2016_1030 2,6-Diisopropylnaphthalene 24157-81-1 DTXSID7035272 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C 2,6-Diisopropylnaphthalene 24157-81-1|2,6-Diisopropylnaphthalene|2,6-Bis(1-methylethyl)naphthalene|EINECS 246-045-1|EPA Pesticide Chemical Code 055803|Naphthalene, 2,6-bis(1-methylethyl)-|Naphthalene, 2,6-diisopropyl-|NSC 166467|UNII-1X71YEU9QB https://comptox.epa.gov/dashboard/chemical/details/DTXSID7035272
ARPathway2016 ARPathway2016_1030 2,6-Diisopropylnaphthalene 24157-81-1 DTXSID7035272 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C 2,6-Diisopropylnaphthalene 24157-81-1|2,6-Diisopropylnaphthalene|2,6-Bis(1-methylethyl)naphthalene|EINECS 246-045-1|EPA Pesticide Chemical Code 055803|Naphthalene, 2,6-bis(1-methylethyl)-|Naphthalene, 2,6-diisopropyl-|NSC 166467|UNII-1X71YEU9QB https://comptox.epa.gov/dashboard/chemical/details/DTXSID7035272
ARPathway2016 ARPathway2016_1030 2,6-Diisopropylnaphthalene 24157-81-1 DTXSID7035272 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C 2,6-Diisopropylnaphthalene 24157-81-1|2,6-Diisopropylnaphthalene|2,6-Bis(1-methylethyl)naphthalene|EINECS 246-045-1|EPA Pesticide Chemical Code 055803|Naphthalene, 2,6-bis(1-methylethyl)-|Naphthalene, 2,6-diisopropyl-|NSC 166467|UNII-1X71YEU9QB https://comptox.epa.gov/dashboard/chemical/details/DTXSID7035272
ARPathway2016 ARPathway2016_1030 2,6-Diisopropylnaphthalene 24157-81-1 DTXSID7035272 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C 2,6-Diisopropylnaphthalene 24157-81-1|2,6-Diisopropylnaphthalene|2,6-Bis(1-methylethyl)naphthalene|EINECS 246-045-1|EPA Pesticide Chemical Code 055803|Naphthalene, 2,6-bis(1-methylethyl)-|Naphthalene, 2,6-diisopropyl-|NSC 166467|UNII-1X71YEU9QB https://comptox.epa.gov/dashboard/chemical/details/DTXSID7035272
ERPathway2016 ERPathway2016_528 2,6-Diisopropylnaphthalene 24157-81-1 DTXSID7035272 A12 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C 2,6-Diisopropylnaphthalene 24157-81-1|2,6-Diisopropylnaphthalene|2,6-Bis(1-methylethyl)naphthalene|EINECS 246-045-1|EPA Pesticide Chemical Code 055803|Naphthalene, 2,6-bis(1-methylethyl)-|Naphthalene, 2,6-diisopropyl-|NSC 166467|UNII-1X71YEU9QB https://comptox.epa.gov/dashboard/chemical/details/DTXSID7035272
ERPathway2016 ERPathway2016_528 2,6-Diisopropylnaphthalene 24157-81-1 DTXSID7035272 A12 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C 2,6-Diisopropylnaphthalene 24157-81-1|2,6-Diisopropylnaphthalene|2,6-Bis(1-methylethyl)naphthalene|EINECS 246-045-1|EPA Pesticide Chemical Code 055803|Naphthalene, 2,6-bis(1-methylethyl)-|Naphthalene, 2,6-diisopropyl-|NSC 166467|UNII-1X71YEU9QB https://comptox.epa.gov/dashboard/chemical/details/DTXSID7035272
ERPathway2016 ERPathway2016_528 2,6-Diisopropylnaphthalene 24157-81-1 DTXSID7035272 A12 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C 2,6-Diisopropylnaphthalene 24157-81-1|2,6-Diisopropylnaphthalene|2,6-Bis(1-methylethyl)naphthalene|EINECS 246-045-1|EPA Pesticide Chemical Code 055803|Naphthalene, 2,6-bis(1-methylethyl)-|Naphthalene, 2,6-diisopropyl-|NSC 166467|UNII-1X71YEU9QB https://comptox.epa.gov/dashboard/chemical/details/DTXSID7035272
ERPathway2016 ERPathway2016_528 2,6-Diisopropylnaphthalene 24157-81-1 DTXSID7035272 A12 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C 2,6-Diisopropylnaphthalene 24157-81-1|2,6-Diisopropylnaphthalene|2,6-Bis(1-methylethyl)naphthalene|EINECS 246-045-1|EPA Pesticide Chemical Code 055803|Naphthalene, 2,6-bis(1-methylethyl)-|Naphthalene, 2,6-diisopropyl-|NSC 166467|UNII-1X71YEU9QB https://comptox.epa.gov/dashboard/chemical/details/DTXSID7035272
ARPathway2016 ARPathway2016_786 2,6-Dimethyl-2-heptanol 13254-34-7 DTXSID6041424 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)CCCC(C)(C)O 2,6-Dimethyl-2-heptanol 13254-34-7|2,6-Dimethyl-2-heptanol|2-01-00-00457|2-Heptanol, 2,6-dimethyl-|2,6-Dimethylheptan-2-ol|BRN 1733525|Dimetol|EINECS 236-244-1|Freesiol|Lolitol|UNII-991142090Z|80450-43-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041424
ARPathway2016 ARPathway2016_786 2,6-Dimethyl-2-heptanol 13254-34-7 DTXSID6041424 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)CCCC(C)(C)O 2,6-Dimethyl-2-heptanol 13254-34-7|2,6-Dimethyl-2-heptanol|2-01-00-00457|2-Heptanol, 2,6-dimethyl-|2,6-Dimethylheptan-2-ol|BRN 1733525|Dimetol|EINECS 236-244-1|Freesiol|Lolitol|UNII-991142090Z|80450-43-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041424
ARPathway2016 ARPathway2016_786 2,6-Dimethyl-2-heptanol 13254-34-7 DTXSID6041424 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)CCCC(C)(C)O 2,6-Dimethyl-2-heptanol 13254-34-7|2,6-Dimethyl-2-heptanol|2-01-00-00457|2-Heptanol, 2,6-dimethyl-|2,6-Dimethylheptan-2-ol|BRN 1733525|Dimetol|EINECS 236-244-1|Freesiol|Lolitol|UNII-991142090Z|80450-43-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041424
ARPathway2016 ARPathway2016_786 2,6-Dimethyl-2-heptanol 13254-34-7 DTXSID6041424 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)CCCC(C)(C)O 2,6-Dimethyl-2-heptanol 13254-34-7|2,6-Dimethyl-2-heptanol|2-01-00-00457|2-Heptanol, 2,6-dimethyl-|2,6-Dimethylheptan-2-ol|BRN 1733525|Dimetol|EINECS 236-244-1|Freesiol|Lolitol|UNII-991142090Z|80450-43-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041424
ERPathway2016 ERPathway2016_1273 2,6-Dimethyl-2-heptanol 13254-34-7 DTXSID6041424 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)CCCC(C)(C)O 2,6-Dimethyl-2-heptanol 13254-34-7|2,6-Dimethyl-2-heptanol|2-01-00-00457|2-Heptanol, 2,6-dimethyl-|2,6-Dimethylheptan-2-ol|BRN 1733525|Dimetol|EINECS 236-244-1|Freesiol|Lolitol|UNII-991142090Z|80450-43-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041424
ERPathway2016 ERPathway2016_1273 2,6-Dimethyl-2-heptanol 13254-34-7 DTXSID6041424 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)CCCC(C)(C)O 2,6-Dimethyl-2-heptanol 13254-34-7|2,6-Dimethyl-2-heptanol|2-01-00-00457|2-Heptanol, 2,6-dimethyl-|2,6-Dimethylheptan-2-ol|BRN 1733525|Dimetol|EINECS 236-244-1|Freesiol|Lolitol|UNII-991142090Z|80450-43-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041424
ERPathway2016 ERPathway2016_1273 2,6-Dimethyl-2-heptanol 13254-34-7 DTXSID6041424 ER Pathway Model, Agonist Call Inactive Unitless CC(C)CCCC(C)(C)O 2,6-Dimethyl-2-heptanol 13254-34-7|2,6-Dimethyl-2-heptanol|2-01-00-00457|2-Heptanol, 2,6-dimethyl-|2,6-Dimethylheptan-2-ol|BRN 1733525|Dimetol|EINECS 236-244-1|Freesiol|Lolitol|UNII-991142090Z|80450-43-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041424
ERPathway2016 ERPathway2016_1273 2,6-Dimethyl-2-heptanol 13254-34-7 DTXSID6041424 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)CCCC(C)(C)O 2,6-Dimethyl-2-heptanol 13254-34-7|2,6-Dimethyl-2-heptanol|2-01-00-00457|2-Heptanol, 2,6-dimethyl-|2,6-Dimethylheptan-2-ol|BRN 1733525|Dimetol|EINECS 236-244-1|Freesiol|Lolitol|UNII-991142090Z|80450-43-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041424
ARPathway2016 ARPathway2016_1040 2,6-Dimethyl-4-tridecylmorpholine 24602-86-6 DTXSID3041376 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCN1CC(C)OC(C)C1 2,6-Dimethyl-4-tridecylmorpholine 24602-86-6|2,6-Dimethyl-4-tridecylmorpholine|246-347-3|4-Tridecyl-2,6-dimethylmorpholine|617-232-9|BRN 0608429|Calixine|Caswell No. 386|EC No.: 246-347-3|EC No.: 617-232-9|EINECS 246-347-3|EPA Pesticide Chemical Code 121401|Kalixin|Morpholine, 2,6-dimethyl-4-tridecyl-|N-Tridecyl-2,6-dimethylmorpholin|N-Tridecyl-2,6-dimethylmorpholine|NSC 232676|Tridemorph https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041376
ARPathway2016 ARPathway2016_1040 2,6-Dimethyl-4-tridecylmorpholine 24602-86-6 DTXSID3041376 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCN1CC(C)OC(C)C1 2,6-Dimethyl-4-tridecylmorpholine 24602-86-6|2,6-Dimethyl-4-tridecylmorpholine|246-347-3|4-Tridecyl-2,6-dimethylmorpholine|617-232-9|BRN 0608429|Calixine|Caswell No. 386|EC No.: 246-347-3|EC No.: 617-232-9|EINECS 246-347-3|EPA Pesticide Chemical Code 121401|Kalixin|Morpholine, 2,6-dimethyl-4-tridecyl-|N-Tridecyl-2,6-dimethylmorpholin|N-Tridecyl-2,6-dimethylmorpholine|NSC 232676|Tridemorph https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041376
ARPathway2016 ARPathway2016_1040 2,6-Dimethyl-4-tridecylmorpholine 24602-86-6 DTXSID3041376 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCN1CC(C)OC(C)C1 2,6-Dimethyl-4-tridecylmorpholine 24602-86-6|2,6-Dimethyl-4-tridecylmorpholine|246-347-3|4-Tridecyl-2,6-dimethylmorpholine|617-232-9|BRN 0608429|Calixine|Caswell No. 386|EC No.: 246-347-3|EC No.: 617-232-9|EINECS 246-347-3|EPA Pesticide Chemical Code 121401|Kalixin|Morpholine, 2,6-dimethyl-4-tridecyl-|N-Tridecyl-2,6-dimethylmorpholin|N-Tridecyl-2,6-dimethylmorpholine|NSC 232676|Tridemorph https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041376
ARPathway2016 ARPathway2016_1040 2,6-Dimethyl-4-tridecylmorpholine 24602-86-6 DTXSID3041376 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCN1CC(C)OC(C)C1 2,6-Dimethyl-4-tridecylmorpholine 24602-86-6|2,6-Dimethyl-4-tridecylmorpholine|246-347-3|4-Tridecyl-2,6-dimethylmorpholine|617-232-9|BRN 0608429|Calixine|Caswell No. 386|EC No.: 246-347-3|EC No.: 617-232-9|EINECS 246-347-3|EPA Pesticide Chemical Code 121401|Kalixin|Morpholine, 2,6-dimethyl-4-tridecyl-|N-Tridecyl-2,6-dimethylmorpholin|N-Tridecyl-2,6-dimethylmorpholine|NSC 232676|Tridemorph https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041376
ERPathway2016 ERPathway2016_1398 2,6-Dimethyl-4-tridecylmorpholine 24602-86-6 DTXSID3041376 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCN1CC(C)OC(C)C1 2,6-Dimethyl-4-tridecylmorpholine 24602-86-6|2,6-Dimethyl-4-tridecylmorpholine|246-347-3|4-Tridecyl-2,6-dimethylmorpholine|617-232-9|BRN 0608429|Calixine|Caswell No. 386|EC No.: 246-347-3|EC No.: 617-232-9|EINECS 246-347-3|EPA Pesticide Chemical Code 121401|Kalixin|Morpholine, 2,6-dimethyl-4-tridecyl-|N-Tridecyl-2,6-dimethylmorpholin|N-Tridecyl-2,6-dimethylmorpholine|NSC 232676|Tridemorph https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041376
ERPathway2016 ERPathway2016_1398 2,6-Dimethyl-4-tridecylmorpholine 24602-86-6 DTXSID3041376 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCN1CC(C)OC(C)C1 2,6-Dimethyl-4-tridecylmorpholine 24602-86-6|2,6-Dimethyl-4-tridecylmorpholine|246-347-3|4-Tridecyl-2,6-dimethylmorpholine|617-232-9|BRN 0608429|Calixine|Caswell No. 386|EC No.: 246-347-3|EC No.: 617-232-9|EINECS 246-347-3|EPA Pesticide Chemical Code 121401|Kalixin|Morpholine, 2,6-dimethyl-4-tridecyl-|N-Tridecyl-2,6-dimethylmorpholin|N-Tridecyl-2,6-dimethylmorpholine|NSC 232676|Tridemorph https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041376
ERPathway2016 ERPathway2016_1398 2,6-Dimethyl-4-tridecylmorpholine 24602-86-6 DTXSID3041376 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCN1CC(C)OC(C)C1 2,6-Dimethyl-4-tridecylmorpholine 24602-86-6|2,6-Dimethyl-4-tridecylmorpholine|246-347-3|4-Tridecyl-2,6-dimethylmorpholine|617-232-9|BRN 0608429|Calixine|Caswell No. 386|EC No.: 246-347-3|EC No.: 617-232-9|EINECS 246-347-3|EPA Pesticide Chemical Code 121401|Kalixin|Morpholine, 2,6-dimethyl-4-tridecyl-|N-Tridecyl-2,6-dimethylmorpholin|N-Tridecyl-2,6-dimethylmorpholine|NSC 232676|Tridemorph https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041376
ERPathway2016 ERPathway2016_1398 2,6-Dimethyl-4-tridecylmorpholine 24602-86-6 DTXSID3041376 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCN1CC(C)OC(C)C1 2,6-Dimethyl-4-tridecylmorpholine 24602-86-6|2,6-Dimethyl-4-tridecylmorpholine|246-347-3|4-Tridecyl-2,6-dimethylmorpholine|617-232-9|BRN 0608429|Calixine|Caswell No. 386|EC No.: 246-347-3|EC No.: 617-232-9|EINECS 246-347-3|EPA Pesticide Chemical Code 121401|Kalixin|Morpholine, 2,6-dimethyl-4-tridecyl-|N-Tridecyl-2,6-dimethylmorpholin|N-Tridecyl-2,6-dimethylmorpholine|NSC 232676|Tridemorph https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041376
ARPathway2016 ARPathway2016_1665 2,6-Dimethylaniline 87-62-7 DTXSID8026307 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=CC(C)=C1N 2,6-Dimethylaniline 87-62-7|2,6-Dimethylaniline|1-Amino-2,6-dimethylbenzene|2-Amino-1,3-dimethylbenzene|2-Amino-1,3-xylene|2-Amino-m-xylene|2,6-Dimethylbenzenamine|2,6-Dimethylphenylamine|2,6-xilidina|2,6-Xylidin|2,6-Xylidine|2,6-Xylylamine|4-12-00-02521|ANILINE, 2,6-DIMETHYL-|Benzenamine, 2,6-dimethyl-|Benzene, 2-amino-1,3-dimethyl-|BRN 0636332|EINECS 201-758-7|NCI-C56188|NSC 7098|o-Xylidine|UNII-4FT62OX08D|vic-m-xylidine|1123533-24-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026307 https://doi.org/10.22427/NTP-DATA-DTXSID8026307
ARPathway2016 ARPathway2016_1665 2,6-Dimethylaniline 87-62-7 DTXSID8026307 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=CC(C)=C1N 2,6-Dimethylaniline 87-62-7|2,6-Dimethylaniline|1-Amino-2,6-dimethylbenzene|2-Amino-1,3-dimethylbenzene|2-Amino-1,3-xylene|2-Amino-m-xylene|2,6-Dimethylbenzenamine|2,6-Dimethylphenylamine|2,6-xilidina|2,6-Xylidin|2,6-Xylidine|2,6-Xylylamine|4-12-00-02521|ANILINE, 2,6-DIMETHYL-|Benzenamine, 2,6-dimethyl-|Benzene, 2-amino-1,3-dimethyl-|BRN 0636332|EINECS 201-758-7|NCI-C56188|NSC 7098|o-Xylidine|UNII-4FT62OX08D|vic-m-xylidine|1123533-24-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026307 https://doi.org/10.22427/NTP-DATA-DTXSID8026307
ARPathway2016 ARPathway2016_1665 2,6-Dimethylaniline 87-62-7 DTXSID8026307 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=CC(C)=C1N 2,6-Dimethylaniline 87-62-7|2,6-Dimethylaniline|1-Amino-2,6-dimethylbenzene|2-Amino-1,3-dimethylbenzene|2-Amino-1,3-xylene|2-Amino-m-xylene|2,6-Dimethylbenzenamine|2,6-Dimethylphenylamine|2,6-xilidina|2,6-Xylidin|2,6-Xylidine|2,6-Xylylamine|4-12-00-02521|ANILINE, 2,6-DIMETHYL-|Benzenamine, 2,6-dimethyl-|Benzene, 2-amino-1,3-dimethyl-|BRN 0636332|EINECS 201-758-7|NCI-C56188|NSC 7098|o-Xylidine|UNII-4FT62OX08D|vic-m-xylidine|1123533-24-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026307 https://doi.org/10.22427/NTP-DATA-DTXSID8026307
ARPathway2016 ARPathway2016_1665 2,6-Dimethylaniline 87-62-7 DTXSID8026307 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=CC(C)=C1N 2,6-Dimethylaniline 87-62-7|2,6-Dimethylaniline|1-Amino-2,6-dimethylbenzene|2-Amino-1,3-dimethylbenzene|2-Amino-1,3-xylene|2-Amino-m-xylene|2,6-Dimethylbenzenamine|2,6-Dimethylphenylamine|2,6-xilidina|2,6-Xylidin|2,6-Xylidine|2,6-Xylylamine|4-12-00-02521|ANILINE, 2,6-DIMETHYL-|Benzenamine, 2,6-dimethyl-|Benzene, 2-amino-1,3-dimethyl-|BRN 0636332|EINECS 201-758-7|NCI-C56188|NSC 7098|o-Xylidine|UNII-4FT62OX08D|vic-m-xylidine|1123533-24-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026307 https://doi.org/10.22427/NTP-DATA-DTXSID8026307
ERPathway2016 ERPathway2016_1716 2,6-Dimethylaniline 87-62-7 DTXSID8026307 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=CC(C)=C1N 2,6-Dimethylaniline 87-62-7|2,6-Dimethylaniline|1-Amino-2,6-dimethylbenzene|2-Amino-1,3-dimethylbenzene|2-Amino-1,3-xylene|2-Amino-m-xylene|2,6-Dimethylbenzenamine|2,6-Dimethylphenylamine|2,6-xilidina|2,6-Xylidin|2,6-Xylidine|2,6-Xylylamine|4-12-00-02521|ANILINE, 2,6-DIMETHYL-|Benzenamine, 2,6-dimethyl-|Benzene, 2-amino-1,3-dimethyl-|BRN 0636332|EINECS 201-758-7|NCI-C56188|NSC 7098|o-Xylidine|UNII-4FT62OX08D|vic-m-xylidine|1123533-24-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026307 https://doi.org/10.22427/NTP-DATA-DTXSID8026307
ERPathway2016 ERPathway2016_1716 2,6-Dimethylaniline 87-62-7 DTXSID8026307 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=CC(C)=C1N 2,6-Dimethylaniline 87-62-7|2,6-Dimethylaniline|1-Amino-2,6-dimethylbenzene|2-Amino-1,3-dimethylbenzene|2-Amino-1,3-xylene|2-Amino-m-xylene|2,6-Dimethylbenzenamine|2,6-Dimethylphenylamine|2,6-xilidina|2,6-Xylidin|2,6-Xylidine|2,6-Xylylamine|4-12-00-02521|ANILINE, 2,6-DIMETHYL-|Benzenamine, 2,6-dimethyl-|Benzene, 2-amino-1,3-dimethyl-|BRN 0636332|EINECS 201-758-7|NCI-C56188|NSC 7098|o-Xylidine|UNII-4FT62OX08D|vic-m-xylidine|1123533-24-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026307 https://doi.org/10.22427/NTP-DATA-DTXSID8026307
ERPathway2016 ERPathway2016_1716 2,6-Dimethylaniline 87-62-7 DTXSID8026307 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=CC(C)=C1N 2,6-Dimethylaniline 87-62-7|2,6-Dimethylaniline|1-Amino-2,6-dimethylbenzene|2-Amino-1,3-dimethylbenzene|2-Amino-1,3-xylene|2-Amino-m-xylene|2,6-Dimethylbenzenamine|2,6-Dimethylphenylamine|2,6-xilidina|2,6-Xylidin|2,6-Xylidine|2,6-Xylylamine|4-12-00-02521|ANILINE, 2,6-DIMETHYL-|Benzenamine, 2,6-dimethyl-|Benzene, 2-amino-1,3-dimethyl-|BRN 0636332|EINECS 201-758-7|NCI-C56188|NSC 7098|o-Xylidine|UNII-4FT62OX08D|vic-m-xylidine|1123533-24-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026307 https://doi.org/10.22427/NTP-DATA-DTXSID8026307
ERPathway2016 ERPathway2016_1716 2,6-Dimethylaniline 87-62-7 DTXSID8026307 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=CC(C)=C1N 2,6-Dimethylaniline 87-62-7|2,6-Dimethylaniline|1-Amino-2,6-dimethylbenzene|2-Amino-1,3-dimethylbenzene|2-Amino-1,3-xylene|2-Amino-m-xylene|2,6-Dimethylbenzenamine|2,6-Dimethylphenylamine|2,6-xilidina|2,6-Xylidin|2,6-Xylidine|2,6-Xylylamine|4-12-00-02521|ANILINE, 2,6-DIMETHYL-|Benzenamine, 2,6-dimethyl-|Benzene, 2-amino-1,3-dimethyl-|BRN 0636332|EINECS 201-758-7|NCI-C56188|NSC 7098|o-Xylidine|UNII-4FT62OX08D|vic-m-xylidine|1123533-24-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026307 https://doi.org/10.22427/NTP-DATA-DTXSID8026307
ARPathway2016 ARPathway2016_1347 2,6-Dimethylphenol 576-26-1 DTXSID9024063 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=CC(C)=C1O 2,6-Dimethylphenol 576-26-1|2,6-Dimethylphenol|1-Hydroxy-2,6-dimethylbenzene|2-Hydroxy-1,3-dimethylbenzene|2,6-xilenol|2,6-Xylenol|EINECS 209-400-1|FEMA No. 3249|NSC 2123|Phenol, 2,6-dimethyl-|UNII-I8N0RO87OV|Vic-m-xylenol|Xylenol 235|1363408-62-1|28449-96-9|50356-22-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024063 https://doi.org/10.22427/NTP-DATA-DTXSID9024063
ARPathway2016 ARPathway2016_1347 2,6-Dimethylphenol 576-26-1 DTXSID9024063 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=CC(C)=C1O 2,6-Dimethylphenol 576-26-1|2,6-Dimethylphenol|1-Hydroxy-2,6-dimethylbenzene|2-Hydroxy-1,3-dimethylbenzene|2,6-xilenol|2,6-Xylenol|EINECS 209-400-1|FEMA No. 3249|NSC 2123|Phenol, 2,6-dimethyl-|UNII-I8N0RO87OV|Vic-m-xylenol|Xylenol 235|1363408-62-1|28449-96-9|50356-22-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024063 https://doi.org/10.22427/NTP-DATA-DTXSID9024063
ARPathway2016 ARPathway2016_1347 2,6-Dimethylphenol 576-26-1 DTXSID9024063 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=CC(C)=C1O 2,6-Dimethylphenol 576-26-1|2,6-Dimethylphenol|1-Hydroxy-2,6-dimethylbenzene|2-Hydroxy-1,3-dimethylbenzene|2,6-xilenol|2,6-Xylenol|EINECS 209-400-1|FEMA No. 3249|NSC 2123|Phenol, 2,6-dimethyl-|UNII-I8N0RO87OV|Vic-m-xylenol|Xylenol 235|1363408-62-1|28449-96-9|50356-22-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024063 https://doi.org/10.22427/NTP-DATA-DTXSID9024063
ARPathway2016 ARPathway2016_1347 2,6-Dimethylphenol 576-26-1 DTXSID9024063 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=CC(C)=C1O 2,6-Dimethylphenol 576-26-1|2,6-Dimethylphenol|1-Hydroxy-2,6-dimethylbenzene|2-Hydroxy-1,3-dimethylbenzene|2,6-xilenol|2,6-Xylenol|EINECS 209-400-1|FEMA No. 3249|NSC 2123|Phenol, 2,6-dimethyl-|UNII-I8N0RO87OV|Vic-m-xylenol|Xylenol 235|1363408-62-1|28449-96-9|50356-22-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024063 https://doi.org/10.22427/NTP-DATA-DTXSID9024063
ERPathway2016 ERPathway2016_822 2,6-Dimethylphenol 576-26-1 DTXSID9024063 A12 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=CC(C)=C1O 2,6-Dimethylphenol 576-26-1|2,6-Dimethylphenol|1-Hydroxy-2,6-dimethylbenzene|2-Hydroxy-1,3-dimethylbenzene|2,6-xilenol|2,6-Xylenol|EINECS 209-400-1|FEMA No. 3249|NSC 2123|Phenol, 2,6-dimethyl-|UNII-I8N0RO87OV|Vic-m-xylenol|Xylenol 235|1363408-62-1|28449-96-9|50356-22-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024063 https://doi.org/10.22427/NTP-DATA-DTXSID9024063
ERPathway2016 ERPathway2016_822 2,6-Dimethylphenol 576-26-1 DTXSID9024063 A12 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=CC(C)=C1O 2,6-Dimethylphenol 576-26-1|2,6-Dimethylphenol|1-Hydroxy-2,6-dimethylbenzene|2-Hydroxy-1,3-dimethylbenzene|2,6-xilenol|2,6-Xylenol|EINECS 209-400-1|FEMA No. 3249|NSC 2123|Phenol, 2,6-dimethyl-|UNII-I8N0RO87OV|Vic-m-xylenol|Xylenol 235|1363408-62-1|28449-96-9|50356-22-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024063 https://doi.org/10.22427/NTP-DATA-DTXSID9024063
ERPathway2016 ERPathway2016_822 2,6-Dimethylphenol 576-26-1 DTXSID9024063 A12 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=CC(C)=C1O 2,6-Dimethylphenol 576-26-1|2,6-Dimethylphenol|1-Hydroxy-2,6-dimethylbenzene|2-Hydroxy-1,3-dimethylbenzene|2,6-xilenol|2,6-Xylenol|EINECS 209-400-1|FEMA No. 3249|NSC 2123|Phenol, 2,6-dimethyl-|UNII-I8N0RO87OV|Vic-m-xylenol|Xylenol 235|1363408-62-1|28449-96-9|50356-22-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024063 https://doi.org/10.22427/NTP-DATA-DTXSID9024063
ERPathway2016 ERPathway2016_822 2,6-Dimethylphenol 576-26-1 DTXSID9024063 A12 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=CC(C)=C1O 2,6-Dimethylphenol 576-26-1|2,6-Dimethylphenol|1-Hydroxy-2,6-dimethylbenzene|2-Hydroxy-1,3-dimethylbenzene|2,6-xilenol|2,6-Xylenol|EINECS 209-400-1|FEMA No. 3249|NSC 2123|Phenol, 2,6-dimethyl-|UNII-I8N0RO87OV|Vic-m-xylenol|Xylenol 235|1363408-62-1|28449-96-9|50356-22-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024063 https://doi.org/10.22427/NTP-DATA-DTXSID9024063
ARPathway2016 ARPathway2016_1395 2,6-Dinitrotoluene 606-20-2 DTXSID5020528 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(C=CC=C1[N+]([O-])=O)[N+]([O-])=O 2,6-Dinitrotoluene 606-20-2|2,6-Dinitrotoluene|1-Methyl-2,6-dinitrobenzene|2-Methyl-1,3-dinitrobenzene|2,6-dinitromethylbenzene|2,6-Dinitrotolluene|2,6-dinitrotolueno|2,6-Dinitrotoluol|2,6-DNT|Benzene, 2-methyl-1,3-dinitro-|BRN 2052046|EINECS 210-106-0|RCRA waste number U106|Toluene, 2,6-dinitro-|UNII-GG7FAV92MK https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020528 https://doi.org/10.22427/NTP-DATA-DTXSID5020528
ARPathway2016 ARPathway2016_1395 2,6-Dinitrotoluene 606-20-2 DTXSID5020528 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(C=CC=C1[N+]([O-])=O)[N+]([O-])=O 2,6-Dinitrotoluene 606-20-2|2,6-Dinitrotoluene|1-Methyl-2,6-dinitrobenzene|2-Methyl-1,3-dinitrobenzene|2,6-dinitromethylbenzene|2,6-Dinitrotolluene|2,6-dinitrotolueno|2,6-Dinitrotoluol|2,6-DNT|Benzene, 2-methyl-1,3-dinitro-|BRN 2052046|EINECS 210-106-0|RCRA waste number U106|Toluene, 2,6-dinitro-|UNII-GG7FAV92MK https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020528 https://doi.org/10.22427/NTP-DATA-DTXSID5020528
ARPathway2016 ARPathway2016_1395 2,6-Dinitrotoluene 606-20-2 DTXSID5020528 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(C=CC=C1[N+]([O-])=O)[N+]([O-])=O 2,6-Dinitrotoluene 606-20-2|2,6-Dinitrotoluene|1-Methyl-2,6-dinitrobenzene|2-Methyl-1,3-dinitrobenzene|2,6-dinitromethylbenzene|2,6-Dinitrotolluene|2,6-dinitrotolueno|2,6-Dinitrotoluol|2,6-DNT|Benzene, 2-methyl-1,3-dinitro-|BRN 2052046|EINECS 210-106-0|RCRA waste number U106|Toluene, 2,6-dinitro-|UNII-GG7FAV92MK https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020528 https://doi.org/10.22427/NTP-DATA-DTXSID5020528
ARPathway2016 ARPathway2016_1395 2,6-Dinitrotoluene 606-20-2 DTXSID5020528 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(C=CC=C1[N+]([O-])=O)[N+]([O-])=O 2,6-Dinitrotoluene 606-20-2|2,6-Dinitrotoluene|1-Methyl-2,6-dinitrobenzene|2-Methyl-1,3-dinitrobenzene|2,6-dinitromethylbenzene|2,6-Dinitrotolluene|2,6-dinitrotolueno|2,6-Dinitrotoluol|2,6-DNT|Benzene, 2-methyl-1,3-dinitro-|BRN 2052046|EINECS 210-106-0|RCRA waste number U106|Toluene, 2,6-dinitro-|UNII-GG7FAV92MK https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020528 https://doi.org/10.22427/NTP-DATA-DTXSID5020528
ERPathway2016 ERPathway2016_1571 2,6-Dinitrotoluene 606-20-2 DTXSID5020528 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(C=CC=C1[N+]([O-])=O)[N+]([O-])=O 2,6-Dinitrotoluene 606-20-2|2,6-Dinitrotoluene|1-Methyl-2,6-dinitrobenzene|2-Methyl-1,3-dinitrobenzene|2,6-dinitromethylbenzene|2,6-Dinitrotolluene|2,6-dinitrotolueno|2,6-Dinitrotoluol|2,6-DNT|Benzene, 2-methyl-1,3-dinitro-|BRN 2052046|EINECS 210-106-0|RCRA waste number U106|Toluene, 2,6-dinitro-|UNII-GG7FAV92MK https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020528 https://doi.org/10.22427/NTP-DATA-DTXSID5020528
ERPathway2016 ERPathway2016_1571 2,6-Dinitrotoluene 606-20-2 DTXSID5020528 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(C=CC=C1[N+]([O-])=O)[N+]([O-])=O 2,6-Dinitrotoluene 606-20-2|2,6-Dinitrotoluene|1-Methyl-2,6-dinitrobenzene|2-Methyl-1,3-dinitrobenzene|2,6-dinitromethylbenzene|2,6-Dinitrotolluene|2,6-dinitrotolueno|2,6-Dinitrotoluol|2,6-DNT|Benzene, 2-methyl-1,3-dinitro-|BRN 2052046|EINECS 210-106-0|RCRA waste number U106|Toluene, 2,6-dinitro-|UNII-GG7FAV92MK https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020528 https://doi.org/10.22427/NTP-DATA-DTXSID5020528
ERPathway2016 ERPathway2016_1571 2,6-Dinitrotoluene 606-20-2 DTXSID5020528 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(C=CC=C1[N+]([O-])=O)[N+]([O-])=O 2,6-Dinitrotoluene 606-20-2|2,6-Dinitrotoluene|1-Methyl-2,6-dinitrobenzene|2-Methyl-1,3-dinitrobenzene|2,6-dinitromethylbenzene|2,6-Dinitrotolluene|2,6-dinitrotolueno|2,6-Dinitrotoluol|2,6-DNT|Benzene, 2-methyl-1,3-dinitro-|BRN 2052046|EINECS 210-106-0|RCRA waste number U106|Toluene, 2,6-dinitro-|UNII-GG7FAV92MK https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020528 https://doi.org/10.22427/NTP-DATA-DTXSID5020528
ERPathway2016 ERPathway2016_1571 2,6-Dinitrotoluene 606-20-2 DTXSID5020528 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(C=CC=C1[N+]([O-])=O)[N+]([O-])=O 2,6-Dinitrotoluene 606-20-2|2,6-Dinitrotoluene|1-Methyl-2,6-dinitrobenzene|2-Methyl-1,3-dinitrobenzene|2,6-dinitromethylbenzene|2,6-Dinitrotolluene|2,6-dinitrotolueno|2,6-Dinitrotoluol|2,6-DNT|Benzene, 2-methyl-1,3-dinitro-|BRN 2052046|EINECS 210-106-0|RCRA waste number U106|Toluene, 2,6-dinitro-|UNII-GG7FAV92MK https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020528 https://doi.org/10.22427/NTP-DATA-DTXSID5020528
ARPathway2016 ARPathway2016_1195 2,6-Di-tert-butyl-4-ethylphenol 4130-42-1 DTXSID0029262 1.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,6-Di-tert-butyl-4-ethylphenol 4130-42-1|2,6-Di-tert-butyl-4-ethylphenol|1-Hydroxy-4-ethyl-2,6-di-tert-butylbenzene|2,6-Bis(1,1-dimethylethyl)-4-ethylphenol|4-Ethyl-2,6-di-tert-butylphenol|EINECS 223-945-2|Ionol 2|NSC 14453|Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-|Phenol, 2,6-di-tert-butyl-4-ethyl- (8CI)|UNII-SV7OZ6J97M https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029262
ARPathway2016 ARPathway2016_1195 2,6-Di-tert-butyl-4-ethylphenol 4130-42-1 DTXSID0029262 1.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,6-Di-tert-butyl-4-ethylphenol 4130-42-1|2,6-Di-tert-butyl-4-ethylphenol|1-Hydroxy-4-ethyl-2,6-di-tert-butylbenzene|2,6-Bis(1,1-dimethylethyl)-4-ethylphenol|4-Ethyl-2,6-di-tert-butylphenol|EINECS 223-945-2|Ionol 2|NSC 14453|Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-|Phenol, 2,6-di-tert-butyl-4-ethyl- (8CI)|UNII-SV7OZ6J97M https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029262
ARPathway2016 ARPathway2016_1195 2,6-Di-tert-butyl-4-ethylphenol 4130-42-1 DTXSID0029262 1.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,6-Di-tert-butyl-4-ethylphenol 4130-42-1|2,6-Di-tert-butyl-4-ethylphenol|1-Hydroxy-4-ethyl-2,6-di-tert-butylbenzene|2,6-Bis(1,1-dimethylethyl)-4-ethylphenol|4-Ethyl-2,6-di-tert-butylphenol|EINECS 223-945-2|Ionol 2|NSC 14453|Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-|Phenol, 2,6-di-tert-butyl-4-ethyl- (8CI)|UNII-SV7OZ6J97M https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029262
ARPathway2016 ARPathway2016_1195 2,6-Di-tert-butyl-4-ethylphenol 4130-42-1 DTXSID0029262 1.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,6-Di-tert-butyl-4-ethylphenol 4130-42-1|2,6-Di-tert-butyl-4-ethylphenol|1-Hydroxy-4-ethyl-2,6-di-tert-butylbenzene|2,6-Bis(1,1-dimethylethyl)-4-ethylphenol|4-Ethyl-2,6-di-tert-butylphenol|EINECS 223-945-2|Ionol 2|NSC 14453|Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-|Phenol, 2,6-di-tert-butyl-4-ethyl- (8CI)|UNII-SV7OZ6J97M https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029262
ERPathway2016 ERPathway2016_958 2,6-Di-tert-butyl-4-ethylphenol 4130-42-1 DTXSID0029262 ER Pathway Model, Agonist Model Score 0 Unitless CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,6-Di-tert-butyl-4-ethylphenol 4130-42-1|2,6-Di-tert-butyl-4-ethylphenol|1-Hydroxy-4-ethyl-2,6-di-tert-butylbenzene|2,6-Bis(1,1-dimethylethyl)-4-ethylphenol|4-Ethyl-2,6-di-tert-butylphenol|EINECS 223-945-2|Ionol 2|NSC 14453|Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-|Phenol, 2,6-di-tert-butyl-4-ethyl- (8CI)|UNII-SV7OZ6J97M https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029262
ERPathway2016 ERPathway2016_958 2,6-Di-tert-butyl-4-ethylphenol 4130-42-1 DTXSID0029262 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,6-Di-tert-butyl-4-ethylphenol 4130-42-1|2,6-Di-tert-butyl-4-ethylphenol|1-Hydroxy-4-ethyl-2,6-di-tert-butylbenzene|2,6-Bis(1,1-dimethylethyl)-4-ethylphenol|4-Ethyl-2,6-di-tert-butylphenol|EINECS 223-945-2|Ionol 2|NSC 14453|Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-|Phenol, 2,6-di-tert-butyl-4-ethyl- (8CI)|UNII-SV7OZ6J97M https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029262
ERPathway2016 ERPathway2016_958 2,6-Di-tert-butyl-4-ethylphenol 4130-42-1 DTXSID0029262 ER Pathway Model, Agonist Call Inactive Unitless CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,6-Di-tert-butyl-4-ethylphenol 4130-42-1|2,6-Di-tert-butyl-4-ethylphenol|1-Hydroxy-4-ethyl-2,6-di-tert-butylbenzene|2,6-Bis(1,1-dimethylethyl)-4-ethylphenol|4-Ethyl-2,6-di-tert-butylphenol|EINECS 223-945-2|Ionol 2|NSC 14453|Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-|Phenol, 2,6-di-tert-butyl-4-ethyl- (8CI)|UNII-SV7OZ6J97M https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029262
ERPathway2016 ERPathway2016_958 2,6-Di-tert-butyl-4-ethylphenol 4130-42-1 DTXSID0029262 ER Pathway Model, Antagonist Call Inactive Unitless CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,6-Di-tert-butyl-4-ethylphenol 4130-42-1|2,6-Di-tert-butyl-4-ethylphenol|1-Hydroxy-4-ethyl-2,6-di-tert-butylbenzene|2,6-Bis(1,1-dimethylethyl)-4-ethylphenol|4-Ethyl-2,6-di-tert-butylphenol|EINECS 223-945-2|Ionol 2|NSC 14453|Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-|Phenol, 2,6-di-tert-butyl-4-ethyl- (8CI)|UNII-SV7OZ6J97M https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029262
ARPathway2016 ARPathway2016_1234 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0 DTXSID8041379 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0|2,6-Di-tert-butyl-4-methoxyphenol|2,6-Bis(1,1-dimethylethyl)-4-methoxyphenol|EINECS 207-693-0|NSC 14451|UNII-616072TMXY https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041379
ARPathway2016 ARPathway2016_1234 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0 DTXSID8041379 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0|2,6-Di-tert-butyl-4-methoxyphenol|2,6-Bis(1,1-dimethylethyl)-4-methoxyphenol|EINECS 207-693-0|NSC 14451|UNII-616072TMXY https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041379
ARPathway2016 ARPathway2016_1234 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0 DTXSID8041379 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0|2,6-Di-tert-butyl-4-methoxyphenol|2,6-Bis(1,1-dimethylethyl)-4-methoxyphenol|EINECS 207-693-0|NSC 14451|UNII-616072TMXY https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041379
ARPathway2016 ARPathway2016_1234 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0 DTXSID8041379 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0|2,6-Di-tert-butyl-4-methoxyphenol|2,6-Bis(1,1-dimethylethyl)-4-methoxyphenol|EINECS 207-693-0|NSC 14451|UNII-616072TMXY https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041379
ERPathway2016 ERPathway2016_434 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0 DTXSID8041379 ER Pathway Model, Antagonist AC50 26.6450422846833 uM COC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0|2,6-Di-tert-butyl-4-methoxyphenol|2,6-Bis(1,1-dimethylethyl)-4-methoxyphenol|EINECS 207-693-0|NSC 14451|UNII-616072TMXY https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041379
ERPathway2016 ERPathway2016_434 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0 DTXSID8041379 ER Pathway Model, Antagonist ACC 41.0261235022882 uM COC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0|2,6-Di-tert-butyl-4-methoxyphenol|2,6-Bis(1,1-dimethylethyl)-4-methoxyphenol|EINECS 207-693-0|NSC 14451|UNII-616072TMXY https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041379
ERPathway2016 ERPathway2016_434 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0 DTXSID8041379 ER Pathway Model, Agonist Model Score 0.00583 Unitless COC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0|2,6-Di-tert-butyl-4-methoxyphenol|2,6-Bis(1,1-dimethylethyl)-4-methoxyphenol|EINECS 207-693-0|NSC 14451|UNII-616072TMXY https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041379
ERPathway2016 ERPathway2016_434 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0 DTXSID8041379 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0|2,6-Di-tert-butyl-4-methoxyphenol|2,6-Bis(1,1-dimethylethyl)-4-methoxyphenol|EINECS 207-693-0|NSC 14451|UNII-616072TMXY https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041379
ERPathway2016 ERPathway2016_434 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0 DTXSID8041379 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0|2,6-Di-tert-butyl-4-methoxyphenol|2,6-Bis(1,1-dimethylethyl)-4-methoxyphenol|EINECS 207-693-0|NSC 14451|UNII-616072TMXY https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041379
ERPathway2016 ERPathway2016_434 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0 DTXSID8041379 ER Pathway Model, Antagonist Call Active Unitless COC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C 2,6-Di-tert-butyl-4-methoxyphenol 489-01-0|2,6-Di-tert-butyl-4-methoxyphenol|2,6-Bis(1,1-dimethylethyl)-4-methoxyphenol|EINECS 207-693-0|NSC 14451|UNII-616072TMXY https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041379
ARPathway2016 ARPathway2016_762 2,6-Di-tert-butylphenol 128-39-2 DTXSID6027052 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C 2,6-Di-tert-butylphenol 128-39-2|2,6-Di-tert-butylphenol|2,6 Di-tert-butylphenol|2,6-Bis(1,1-dimethylethyl)phenol|2,6-Bis(tert-butyl)phenol|2,6-Di-t-butylphenol|2,6-di-terc-butilfenol|2,6-DI-TERT.-BUTYLPHENOL|EINECS 204-884-0|Ethanox 701|Ethyl AN 701|NSC 49175|Phenol, 2,6-bis(1,1-dimethylethyl)-|PHENOL, 2,6-DI-TERT-BUTYL-|UNII-21294V58PF|50356-17-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027052
ARPathway2016 ARPathway2016_762 2,6-Di-tert-butylphenol 128-39-2 DTXSID6027052 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C 2,6-Di-tert-butylphenol 128-39-2|2,6-Di-tert-butylphenol|2,6 Di-tert-butylphenol|2,6-Bis(1,1-dimethylethyl)phenol|2,6-Bis(tert-butyl)phenol|2,6-Di-t-butylphenol|2,6-di-terc-butilfenol|2,6-DI-TERT.-BUTYLPHENOL|EINECS 204-884-0|Ethanox 701|Ethyl AN 701|NSC 49175|Phenol, 2,6-bis(1,1-dimethylethyl)-|PHENOL, 2,6-DI-TERT-BUTYL-|UNII-21294V58PF|50356-17-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027052
ARPathway2016 ARPathway2016_762 2,6-Di-tert-butylphenol 128-39-2 DTXSID6027052 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C 2,6-Di-tert-butylphenol 128-39-2|2,6-Di-tert-butylphenol|2,6 Di-tert-butylphenol|2,6-Bis(1,1-dimethylethyl)phenol|2,6-Bis(tert-butyl)phenol|2,6-Di-t-butylphenol|2,6-di-terc-butilfenol|2,6-DI-TERT.-BUTYLPHENOL|EINECS 204-884-0|Ethanox 701|Ethyl AN 701|NSC 49175|Phenol, 2,6-bis(1,1-dimethylethyl)-|PHENOL, 2,6-DI-TERT-BUTYL-|UNII-21294V58PF|50356-17-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027052
ARPathway2016 ARPathway2016_762 2,6-Di-tert-butylphenol 128-39-2 DTXSID6027052 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C 2,6-Di-tert-butylphenol 128-39-2|2,6-Di-tert-butylphenol|2,6 Di-tert-butylphenol|2,6-Bis(1,1-dimethylethyl)phenol|2,6-Bis(tert-butyl)phenol|2,6-Di-t-butylphenol|2,6-di-terc-butilfenol|2,6-DI-TERT.-BUTYLPHENOL|EINECS 204-884-0|Ethanox 701|Ethyl AN 701|NSC 49175|Phenol, 2,6-bis(1,1-dimethylethyl)-|PHENOL, 2,6-DI-TERT-BUTYL-|UNII-21294V58PF|50356-17-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027052
ERPathway2016 ERPathway2016_948 2,6-Di-tert-butylphenol 128-39-2 DTXSID6027052 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C 2,6-Di-tert-butylphenol 128-39-2|2,6-Di-tert-butylphenol|2,6 Di-tert-butylphenol|2,6-Bis(1,1-dimethylethyl)phenol|2,6-Bis(tert-butyl)phenol|2,6-Di-t-butylphenol|2,6-di-terc-butilfenol|2,6-DI-TERT.-BUTYLPHENOL|EINECS 204-884-0|Ethanox 701|Ethyl AN 701|NSC 49175|Phenol, 2,6-bis(1,1-dimethylethyl)-|PHENOL, 2,6-DI-TERT-BUTYL-|UNII-21294V58PF|50356-17-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027052
ERPathway2016 ERPathway2016_948 2,6-Di-tert-butylphenol 128-39-2 DTXSID6027052 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C 2,6-Di-tert-butylphenol 128-39-2|2,6-Di-tert-butylphenol|2,6 Di-tert-butylphenol|2,6-Bis(1,1-dimethylethyl)phenol|2,6-Bis(tert-butyl)phenol|2,6-Di-t-butylphenol|2,6-di-terc-butilfenol|2,6-DI-TERT.-BUTYLPHENOL|EINECS 204-884-0|Ethanox 701|Ethyl AN 701|NSC 49175|Phenol, 2,6-bis(1,1-dimethylethyl)-|PHENOL, 2,6-DI-TERT-BUTYL-|UNII-21294V58PF|50356-17-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027052
ERPathway2016 ERPathway2016_948 2,6-Di-tert-butylphenol 128-39-2 DTXSID6027052 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C 2,6-Di-tert-butylphenol 128-39-2|2,6-Di-tert-butylphenol|2,6 Di-tert-butylphenol|2,6-Bis(1,1-dimethylethyl)phenol|2,6-Bis(tert-butyl)phenol|2,6-Di-t-butylphenol|2,6-di-terc-butilfenol|2,6-DI-TERT.-BUTYLPHENOL|EINECS 204-884-0|Ethanox 701|Ethyl AN 701|NSC 49175|Phenol, 2,6-bis(1,1-dimethylethyl)-|PHENOL, 2,6-DI-TERT-BUTYL-|UNII-21294V58PF|50356-17-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027052
ERPathway2016 ERPathway2016_948 2,6-Di-tert-butylphenol 128-39-2 DTXSID6027052 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C 2,6-Di-tert-butylphenol 128-39-2|2,6-Di-tert-butylphenol|2,6 Di-tert-butylphenol|2,6-Bis(1,1-dimethylethyl)phenol|2,6-Bis(tert-butyl)phenol|2,6-Di-t-butylphenol|2,6-di-terc-butilfenol|2,6-DI-TERT.-BUTYLPHENOL|EINECS 204-884-0|Ethanox 701|Ethyl AN 701|NSC 49175|Phenol, 2,6-bis(1,1-dimethylethyl)-|PHENOL, 2,6-DI-TERT-BUTYL-|UNII-21294V58PF|50356-17-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027052
ARPathway2016 ARPathway2016_1241 2,6-Pyridinedicarboxylic acid 499-83-2 DTXSID7022043 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC=CC(=N1)C(O)=O 2,6-Pyridinedicarboxylic acid 499-83-2|2,6-Pyridinedicarboxylic acid|2,6-Dicarboxypyridine|2,6-Dipicolinic acid|6-Carboxypicolinic acid|Acide pyridine-2,6-dicarboxylique|acido piridina-2,6-dicarboxilico|Dipicolinate|Dipicoline acid|Dipicolinic acid|EINECS 207-894-3|NSC 176|Pyridin-2,6-dicarbonsaure|pyridine-2,6-dicarboxylic acid|UNII-UE81S5CQ0G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022043
ARPathway2016 ARPathway2016_1241 2,6-Pyridinedicarboxylic acid 499-83-2 DTXSID7022043 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC=CC(=N1)C(O)=O 2,6-Pyridinedicarboxylic acid 499-83-2|2,6-Pyridinedicarboxylic acid|2,6-Dicarboxypyridine|2,6-Dipicolinic acid|6-Carboxypicolinic acid|Acide pyridine-2,6-dicarboxylique|acido piridina-2,6-dicarboxilico|Dipicolinate|Dipicoline acid|Dipicolinic acid|EINECS 207-894-3|NSC 176|Pyridin-2,6-dicarbonsaure|pyridine-2,6-dicarboxylic acid|UNII-UE81S5CQ0G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022043
ARPathway2016 ARPathway2016_1241 2,6-Pyridinedicarboxylic acid 499-83-2 DTXSID7022043 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC=CC(=N1)C(O)=O 2,6-Pyridinedicarboxylic acid 499-83-2|2,6-Pyridinedicarboxylic acid|2,6-Dicarboxypyridine|2,6-Dipicolinic acid|6-Carboxypicolinic acid|Acide pyridine-2,6-dicarboxylique|acido piridina-2,6-dicarboxilico|Dipicolinate|Dipicoline acid|Dipicolinic acid|EINECS 207-894-3|NSC 176|Pyridin-2,6-dicarbonsaure|pyridine-2,6-dicarboxylic acid|UNII-UE81S5CQ0G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022043
ARPathway2016 ARPathway2016_1241 2,6-Pyridinedicarboxylic acid 499-83-2 DTXSID7022043 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC=CC(=N1)C(O)=O 2,6-Pyridinedicarboxylic acid 499-83-2|2,6-Pyridinedicarboxylic acid|2,6-Dicarboxypyridine|2,6-Dipicolinic acid|6-Carboxypicolinic acid|Acide pyridine-2,6-dicarboxylique|acido piridina-2,6-dicarboxilico|Dipicolinate|Dipicoline acid|Dipicolinic acid|EINECS 207-894-3|NSC 176|Pyridin-2,6-dicarbonsaure|pyridine-2,6-dicarboxylic acid|UNII-UE81S5CQ0G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022043
ERPathway2016 ERPathway2016_1495 2,6-Pyridinedicarboxylic acid 499-83-2 DTXSID7022043 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC=CC(=N1)C(O)=O 2,6-Pyridinedicarboxylic acid 499-83-2|2,6-Pyridinedicarboxylic acid|2,6-Dicarboxypyridine|2,6-Dipicolinic acid|6-Carboxypicolinic acid|Acide pyridine-2,6-dicarboxylique|acido piridina-2,6-dicarboxilico|Dipicolinate|Dipicoline acid|Dipicolinic acid|EINECS 207-894-3|NSC 176|Pyridin-2,6-dicarbonsaure|pyridine-2,6-dicarboxylic acid|UNII-UE81S5CQ0G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022043
ERPathway2016 ERPathway2016_1495 2,6-Pyridinedicarboxylic acid 499-83-2 DTXSID7022043 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC=CC(=N1)C(O)=O 2,6-Pyridinedicarboxylic acid 499-83-2|2,6-Pyridinedicarboxylic acid|2,6-Dicarboxypyridine|2,6-Dipicolinic acid|6-Carboxypicolinic acid|Acide pyridine-2,6-dicarboxylique|acido piridina-2,6-dicarboxilico|Dipicolinate|Dipicoline acid|Dipicolinic acid|EINECS 207-894-3|NSC 176|Pyridin-2,6-dicarbonsaure|pyridine-2,6-dicarboxylic acid|UNII-UE81S5CQ0G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022043
ERPathway2016 ERPathway2016_1495 2,6-Pyridinedicarboxylic acid 499-83-2 DTXSID7022043 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC=CC(=N1)C(O)=O 2,6-Pyridinedicarboxylic acid 499-83-2|2,6-Pyridinedicarboxylic acid|2,6-Dicarboxypyridine|2,6-Dipicolinic acid|6-Carboxypicolinic acid|Acide pyridine-2,6-dicarboxylique|acido piridina-2,6-dicarboxilico|Dipicolinate|Dipicoline acid|Dipicolinic acid|EINECS 207-894-3|NSC 176|Pyridin-2,6-dicarbonsaure|pyridine-2,6-dicarboxylic acid|UNII-UE81S5CQ0G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022043
ERPathway2016 ERPathway2016_1495 2,6-Pyridinedicarboxylic acid 499-83-2 DTXSID7022043 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC=CC(=N1)C(O)=O 2,6-Pyridinedicarboxylic acid 499-83-2|2,6-Pyridinedicarboxylic acid|2,6-Dicarboxypyridine|2,6-Dipicolinic acid|6-Carboxypicolinic acid|Acide pyridine-2,6-dicarboxylique|acido piridina-2,6-dicarboxilico|Dipicolinate|Dipicoline acid|Dipicolinic acid|EINECS 207-894-3|NSC 176|Pyridin-2,6-dicarbonsaure|pyridine-2,6-dicarboxylic acid|UNII-UE81S5CQ0G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022043
ARPathway2016 ARPathway2016_851 2-[2-(2-Butoxyethoxy)ethoxy]ethanol 143-22-6 DTXSID7021520 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOCCOCCOCCO 2-[2-(2-Butoxyethoxy)ethoxy]ethanol 143-22-6|2-[2-(2-Butoxyethoxy)ethoxy]ethanol|2-(2-(2-butoxietoxi)etoxi)etanol|2-(2-(2-BUTOXYETHOXY) ETHOXYETHANOL|2-(2-(2-Butoxyethoxy)ethoxy)ethanol|2-(2-(2-BUTOXYETHOXY)ETHOXYETHANOL|3,6,9-Trioxa-1-tridecanol|3,6,9-Trioxatridecan-1-ol|BRN 1750600|Butoxytriethylene glycol|BUTOXYTRIETHYLENEGLYCOL|Butoxytriglycol|Butyltriglycol|Butysenol 30|Dowanol TBAT|EINECS 205-592-6|Ethanol, 2-[2-(2-butoxyethoxy)ethoxy]-|NSC 164915|Poly-Solv TB|TRIAETHYLENGLYKOL-MONOBUTYLAETHER|TRIDECANOL, 3,6,9-TRIOXA-|TRIETHYLENE GLYCOL BUTYL ETHER|Triethylene glycol mono-n-butyl ether|Triethylene glycol monobutyl ether|TRIETHYLENE GLYCOL MONOBUTYLETHER|Triethylene glycol n-butyl ether|Triglycol monobutyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021520
ARPathway2016 ARPathway2016_851 2-[2-(2-Butoxyethoxy)ethoxy]ethanol 143-22-6 DTXSID7021520 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOCCOCCOCCO 2-[2-(2-Butoxyethoxy)ethoxy]ethanol 143-22-6|2-[2-(2-Butoxyethoxy)ethoxy]ethanol|2-(2-(2-butoxietoxi)etoxi)etanol|2-(2-(2-BUTOXYETHOXY) ETHOXYETHANOL|2-(2-(2-Butoxyethoxy)ethoxy)ethanol|2-(2-(2-BUTOXYETHOXY)ETHOXYETHANOL|3,6,9-Trioxa-1-tridecanol|3,6,9-Trioxatridecan-1-ol|BRN 1750600|Butoxytriethylene glycol|BUTOXYTRIETHYLENEGLYCOL|Butoxytriglycol|Butyltriglycol|Butysenol 30|Dowanol TBAT|EINECS 205-592-6|Ethanol, 2-[2-(2-butoxyethoxy)ethoxy]-|NSC 164915|Poly-Solv TB|TRIAETHYLENGLYKOL-MONOBUTYLAETHER|TRIDECANOL, 3,6,9-TRIOXA-|TRIETHYLENE GLYCOL BUTYL ETHER|Triethylene glycol mono-n-butyl ether|Triethylene glycol monobutyl ether|TRIETHYLENE GLYCOL MONOBUTYLETHER|Triethylene glycol n-butyl ether|Triglycol monobutyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021520
ARPathway2016 ARPathway2016_851 2-[2-(2-Butoxyethoxy)ethoxy]ethanol 143-22-6 DTXSID7021520 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOCCOCCOCCO 2-[2-(2-Butoxyethoxy)ethoxy]ethanol 143-22-6|2-[2-(2-Butoxyethoxy)ethoxy]ethanol|2-(2-(2-butoxietoxi)etoxi)etanol|2-(2-(2-BUTOXYETHOXY) ETHOXYETHANOL|2-(2-(2-Butoxyethoxy)ethoxy)ethanol|2-(2-(2-BUTOXYETHOXY)ETHOXYETHANOL|3,6,9-Trioxa-1-tridecanol|3,6,9-Trioxatridecan-1-ol|BRN 1750600|Butoxytriethylene glycol|BUTOXYTRIETHYLENEGLYCOL|Butoxytriglycol|Butyltriglycol|Butysenol 30|Dowanol TBAT|EINECS 205-592-6|Ethanol, 2-[2-(2-butoxyethoxy)ethoxy]-|NSC 164915|Poly-Solv TB|TRIAETHYLENGLYKOL-MONOBUTYLAETHER|TRIDECANOL, 3,6,9-TRIOXA-|TRIETHYLENE GLYCOL BUTYL ETHER|Triethylene glycol mono-n-butyl ether|Triethylene glycol monobutyl ether|TRIETHYLENE GLYCOL MONOBUTYLETHER|Triethylene glycol n-butyl ether|Triglycol monobutyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021520
ARPathway2016 ARPathway2016_851 2-[2-(2-Butoxyethoxy)ethoxy]ethanol 143-22-6 DTXSID7021520 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOCCOCCOCCO 2-[2-(2-Butoxyethoxy)ethoxy]ethanol 143-22-6|2-[2-(2-Butoxyethoxy)ethoxy]ethanol|2-(2-(2-butoxietoxi)etoxi)etanol|2-(2-(2-BUTOXYETHOXY) ETHOXYETHANOL|2-(2-(2-Butoxyethoxy)ethoxy)ethanol|2-(2-(2-BUTOXYETHOXY)ETHOXYETHANOL|3,6,9-Trioxa-1-tridecanol|3,6,9-Trioxatridecan-1-ol|BRN 1750600|Butoxytriethylene glycol|BUTOXYTRIETHYLENEGLYCOL|Butoxytriglycol|Butyltriglycol|Butysenol 30|Dowanol TBAT|EINECS 205-592-6|Ethanol, 2-[2-(2-butoxyethoxy)ethoxy]-|NSC 164915|Poly-Solv TB|TRIAETHYLENGLYKOL-MONOBUTYLAETHER|TRIDECANOL, 3,6,9-TRIOXA-|TRIETHYLENE GLYCOL BUTYL ETHER|Triethylene glycol mono-n-butyl ether|Triethylene glycol monobutyl ether|TRIETHYLENE GLYCOL MONOBUTYLETHER|Triethylene glycol n-butyl ether|Triglycol monobutyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021520
ERPathway2016 ERPathway2016_1306 2-[2-(2-Butoxyethoxy)ethoxy]ethanol 143-22-6 DTXSID7021520 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOCCOCCOCCO 2-[2-(2-Butoxyethoxy)ethoxy]ethanol 143-22-6|2-[2-(2-Butoxyethoxy)ethoxy]ethanol|2-(2-(2-butoxietoxi)etoxi)etanol|2-(2-(2-BUTOXYETHOXY) ETHOXYETHANOL|2-(2-(2-Butoxyethoxy)ethoxy)ethanol|2-(2-(2-BUTOXYETHOXY)ETHOXYETHANOL|3,6,9-Trioxa-1-tridecanol|3,6,9-Trioxatridecan-1-ol|BRN 1750600|Butoxytriethylene glycol|BUTOXYTRIETHYLENEGLYCOL|Butoxytriglycol|Butyltriglycol|Butysenol 30|Dowanol TBAT|EINECS 205-592-6|Ethanol, 2-[2-(2-butoxyethoxy)ethoxy]-|NSC 164915|Poly-Solv TB|TRIAETHYLENGLYKOL-MONOBUTYLAETHER|TRIDECANOL, 3,6,9-TRIOXA-|TRIETHYLENE GLYCOL BUTYL ETHER|Triethylene glycol mono-n-butyl ether|Triethylene glycol monobutyl ether|TRIETHYLENE GLYCOL MONOBUTYLETHER|Triethylene glycol n-butyl ether|Triglycol monobutyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021520
ERPathway2016 ERPathway2016_1306 2-[2-(2-Butoxyethoxy)ethoxy]ethanol 143-22-6 DTXSID7021520 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOCCOCCOCCO 2-[2-(2-Butoxyethoxy)ethoxy]ethanol 143-22-6|2-[2-(2-Butoxyethoxy)ethoxy]ethanol|2-(2-(2-butoxietoxi)etoxi)etanol|2-(2-(2-BUTOXYETHOXY) ETHOXYETHANOL|2-(2-(2-Butoxyethoxy)ethoxy)ethanol|2-(2-(2-BUTOXYETHOXY)ETHOXYETHANOL|3,6,9-Trioxa-1-tridecanol|3,6,9-Trioxatridecan-1-ol|BRN 1750600|Butoxytriethylene glycol|BUTOXYTRIETHYLENEGLYCOL|Butoxytriglycol|Butyltriglycol|Butysenol 30|Dowanol TBAT|EINECS 205-592-6|Ethanol, 2-[2-(2-butoxyethoxy)ethoxy]-|NSC 164915|Poly-Solv TB|TRIAETHYLENGLYKOL-MONOBUTYLAETHER|TRIDECANOL, 3,6,9-TRIOXA-|TRIETHYLENE GLYCOL BUTYL ETHER|Triethylene glycol mono-n-butyl ether|Triethylene glycol monobutyl ether|TRIETHYLENE GLYCOL MONOBUTYLETHER|Triethylene glycol n-butyl ether|Triglycol monobutyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021520
ERPathway2016 ERPathway2016_1306 2-[2-(2-Butoxyethoxy)ethoxy]ethanol 143-22-6 DTXSID7021520 ER Pathway Model, Agonist Call Inactive Unitless CCCCOCCOCCOCCO 2-[2-(2-Butoxyethoxy)ethoxy]ethanol 143-22-6|2-[2-(2-Butoxyethoxy)ethoxy]ethanol|2-(2-(2-butoxietoxi)etoxi)etanol|2-(2-(2-BUTOXYETHOXY) ETHOXYETHANOL|2-(2-(2-Butoxyethoxy)ethoxy)ethanol|2-(2-(2-BUTOXYETHOXY)ETHOXYETHANOL|3,6,9-Trioxa-1-tridecanol|3,6,9-Trioxatridecan-1-ol|BRN 1750600|Butoxytriethylene glycol|BUTOXYTRIETHYLENEGLYCOL|Butoxytriglycol|Butyltriglycol|Butysenol 30|Dowanol TBAT|EINECS 205-592-6|Ethanol, 2-[2-(2-butoxyethoxy)ethoxy]-|NSC 164915|Poly-Solv TB|TRIAETHYLENGLYKOL-MONOBUTYLAETHER|TRIDECANOL, 3,6,9-TRIOXA-|TRIETHYLENE GLYCOL BUTYL ETHER|Triethylene glycol mono-n-butyl ether|Triethylene glycol monobutyl ether|TRIETHYLENE GLYCOL MONOBUTYLETHER|Triethylene glycol n-butyl ether|Triglycol monobutyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021520
ERPathway2016 ERPathway2016_1306 2-[2-(2-Butoxyethoxy)ethoxy]ethanol 143-22-6 DTXSID7021520 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOCCOCCOCCO 2-[2-(2-Butoxyethoxy)ethoxy]ethanol 143-22-6|2-[2-(2-Butoxyethoxy)ethoxy]ethanol|2-(2-(2-butoxietoxi)etoxi)etanol|2-(2-(2-BUTOXYETHOXY) ETHOXYETHANOL|2-(2-(2-Butoxyethoxy)ethoxy)ethanol|2-(2-(2-BUTOXYETHOXY)ETHOXYETHANOL|3,6,9-Trioxa-1-tridecanol|3,6,9-Trioxatridecan-1-ol|BRN 1750600|Butoxytriethylene glycol|BUTOXYTRIETHYLENEGLYCOL|Butoxytriglycol|Butyltriglycol|Butysenol 30|Dowanol TBAT|EINECS 205-592-6|Ethanol, 2-[2-(2-butoxyethoxy)ethoxy]-|NSC 164915|Poly-Solv TB|TRIAETHYLENGLYKOL-MONOBUTYLAETHER|TRIDECANOL, 3,6,9-TRIOXA-|TRIETHYLENE GLYCOL BUTYL ETHER|Triethylene glycol mono-n-butyl ether|Triethylene glycol monobutyl ether|TRIETHYLENE GLYCOL MONOBUTYLETHER|Triethylene glycol n-butyl ether|Triglycol monobutyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021520
ARPathway2016 ARPathway2016_610 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol 112-50-5 DTXSID3024368 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOCCOCCOCCO 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol 112-50-5|2-[2-(2-Ethoxyethoxy)ethoxy]ethanol|2-(2-(2-Ethoxyethoxy)ethoxy)ethanol|2-(2-(2-ETHOXYETHOXY)ETHOXYETHANOL|2-(2-(2-etoxietoxi)etoxi)etanol|2-[2-(2-(Ethoxyethoxy)ethoxy]ethanol|3,6,9-Trioxaundecan-1-ol|BRN 1700466|Dowanol TE|EINECS 203-978-9|Ethanol, 2-[2-(2-ethoxyethoxy)ethoxy]-|Ethoxytriethylene glycol|Ethoxytriglycol|Ethyltriglycol|Poly-Solv TE|Poly-solve TE|TRIAETHYLENGLYKOL-MONOAETHYLAETHER|Triethylene glycol ethyl ether|Triethylene glycol monoethyl ether|TRIETHYLENEGLYCOL MONOETHYL ETHER|Triglycol monoethyl ether|UNDECAN-1-OL, 3,6,9-TRIOXA-|UNII-4G0E2G9582 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024368
ARPathway2016 ARPathway2016_610 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol 112-50-5 DTXSID3024368 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOCCOCCOCCO 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol 112-50-5|2-[2-(2-Ethoxyethoxy)ethoxy]ethanol|2-(2-(2-Ethoxyethoxy)ethoxy)ethanol|2-(2-(2-ETHOXYETHOXY)ETHOXYETHANOL|2-(2-(2-etoxietoxi)etoxi)etanol|2-[2-(2-(Ethoxyethoxy)ethoxy]ethanol|3,6,9-Trioxaundecan-1-ol|BRN 1700466|Dowanol TE|EINECS 203-978-9|Ethanol, 2-[2-(2-ethoxyethoxy)ethoxy]-|Ethoxytriethylene glycol|Ethoxytriglycol|Ethyltriglycol|Poly-Solv TE|Poly-solve TE|TRIAETHYLENGLYKOL-MONOAETHYLAETHER|Triethylene glycol ethyl ether|Triethylene glycol monoethyl ether|TRIETHYLENEGLYCOL MONOETHYL ETHER|Triglycol monoethyl ether|UNDECAN-1-OL, 3,6,9-TRIOXA-|UNII-4G0E2G9582 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024368
ARPathway2016 ARPathway2016_610 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol 112-50-5 DTXSID3024368 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOCCOCCOCCO 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol 112-50-5|2-[2-(2-Ethoxyethoxy)ethoxy]ethanol|2-(2-(2-Ethoxyethoxy)ethoxy)ethanol|2-(2-(2-ETHOXYETHOXY)ETHOXYETHANOL|2-(2-(2-etoxietoxi)etoxi)etanol|2-[2-(2-(Ethoxyethoxy)ethoxy]ethanol|3,6,9-Trioxaundecan-1-ol|BRN 1700466|Dowanol TE|EINECS 203-978-9|Ethanol, 2-[2-(2-ethoxyethoxy)ethoxy]-|Ethoxytriethylene glycol|Ethoxytriglycol|Ethyltriglycol|Poly-Solv TE|Poly-solve TE|TRIAETHYLENGLYKOL-MONOAETHYLAETHER|Triethylene glycol ethyl ether|Triethylene glycol monoethyl ether|TRIETHYLENEGLYCOL MONOETHYL ETHER|Triglycol monoethyl ether|UNDECAN-1-OL, 3,6,9-TRIOXA-|UNII-4G0E2G9582 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024368
ARPathway2016 ARPathway2016_610 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol 112-50-5 DTXSID3024368 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOCCOCCOCCO 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol 112-50-5|2-[2-(2-Ethoxyethoxy)ethoxy]ethanol|2-(2-(2-Ethoxyethoxy)ethoxy)ethanol|2-(2-(2-ETHOXYETHOXY)ETHOXYETHANOL|2-(2-(2-etoxietoxi)etoxi)etanol|2-[2-(2-(Ethoxyethoxy)ethoxy]ethanol|3,6,9-Trioxaundecan-1-ol|BRN 1700466|Dowanol TE|EINECS 203-978-9|Ethanol, 2-[2-(2-ethoxyethoxy)ethoxy]-|Ethoxytriethylene glycol|Ethoxytriglycol|Ethyltriglycol|Poly-Solv TE|Poly-solve TE|TRIAETHYLENGLYKOL-MONOAETHYLAETHER|Triethylene glycol ethyl ether|Triethylene glycol monoethyl ether|TRIETHYLENEGLYCOL MONOETHYL ETHER|Triglycol monoethyl ether|UNDECAN-1-OL, 3,6,9-TRIOXA-|UNII-4G0E2G9582 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024368
ERPathway2016 ERPathway2016_1176 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol 112-50-5 DTXSID3024368 ER Pathway Model, Agonist Model Score 0 Unitless CCOCCOCCOCCO 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol 112-50-5|2-[2-(2-Ethoxyethoxy)ethoxy]ethanol|2-(2-(2-Ethoxyethoxy)ethoxy)ethanol|2-(2-(2-ETHOXYETHOXY)ETHOXYETHANOL|2-(2-(2-etoxietoxi)etoxi)etanol|2-[2-(2-(Ethoxyethoxy)ethoxy]ethanol|3,6,9-Trioxaundecan-1-ol|BRN 1700466|Dowanol TE|EINECS 203-978-9|Ethanol, 2-[2-(2-ethoxyethoxy)ethoxy]-|Ethoxytriethylene glycol|Ethoxytriglycol|Ethyltriglycol|Poly-Solv TE|Poly-solve TE|TRIAETHYLENGLYKOL-MONOAETHYLAETHER|Triethylene glycol ethyl ether|Triethylene glycol monoethyl ether|TRIETHYLENEGLYCOL MONOETHYL ETHER|Triglycol monoethyl ether|UNDECAN-1-OL, 3,6,9-TRIOXA-|UNII-4G0E2G9582 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024368
ERPathway2016 ERPathway2016_1176 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol 112-50-5 DTXSID3024368 ER Pathway Model, Antagonist Model Score 0 Unitless CCOCCOCCOCCO 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol 112-50-5|2-[2-(2-Ethoxyethoxy)ethoxy]ethanol|2-(2-(2-Ethoxyethoxy)ethoxy)ethanol|2-(2-(2-ETHOXYETHOXY)ETHOXYETHANOL|2-(2-(2-etoxietoxi)etoxi)etanol|2-[2-(2-(Ethoxyethoxy)ethoxy]ethanol|3,6,9-Trioxaundecan-1-ol|BRN 1700466|Dowanol TE|EINECS 203-978-9|Ethanol, 2-[2-(2-ethoxyethoxy)ethoxy]-|Ethoxytriethylene glycol|Ethoxytriglycol|Ethyltriglycol|Poly-Solv TE|Poly-solve TE|TRIAETHYLENGLYKOL-MONOAETHYLAETHER|Triethylene glycol ethyl ether|Triethylene glycol monoethyl ether|TRIETHYLENEGLYCOL MONOETHYL ETHER|Triglycol monoethyl ether|UNDECAN-1-OL, 3,6,9-TRIOXA-|UNII-4G0E2G9582 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024368
ERPathway2016 ERPathway2016_1176 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol 112-50-5 DTXSID3024368 ER Pathway Model, Agonist Call Inactive Unitless CCOCCOCCOCCO 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol 112-50-5|2-[2-(2-Ethoxyethoxy)ethoxy]ethanol|2-(2-(2-Ethoxyethoxy)ethoxy)ethanol|2-(2-(2-ETHOXYETHOXY)ETHOXYETHANOL|2-(2-(2-etoxietoxi)etoxi)etanol|2-[2-(2-(Ethoxyethoxy)ethoxy]ethanol|3,6,9-Trioxaundecan-1-ol|BRN 1700466|Dowanol TE|EINECS 203-978-9|Ethanol, 2-[2-(2-ethoxyethoxy)ethoxy]-|Ethoxytriethylene glycol|Ethoxytriglycol|Ethyltriglycol|Poly-Solv TE|Poly-solve TE|TRIAETHYLENGLYKOL-MONOAETHYLAETHER|Triethylene glycol ethyl ether|Triethylene glycol monoethyl ether|TRIETHYLENEGLYCOL MONOETHYL ETHER|Triglycol monoethyl ether|UNDECAN-1-OL, 3,6,9-TRIOXA-|UNII-4G0E2G9582 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024368
ERPathway2016 ERPathway2016_1176 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol 112-50-5 DTXSID3024368 ER Pathway Model, Antagonist Call Inactive Unitless CCOCCOCCOCCO 2-[2-(2-Ethoxyethoxy)ethoxy]ethanol 112-50-5|2-[2-(2-Ethoxyethoxy)ethoxy]ethanol|2-(2-(2-Ethoxyethoxy)ethoxy)ethanol|2-(2-(2-ETHOXYETHOXY)ETHOXYETHANOL|2-(2-(2-etoxietoxi)etoxi)etanol|2-[2-(2-(Ethoxyethoxy)ethoxy]ethanol|3,6,9-Trioxaundecan-1-ol|BRN 1700466|Dowanol TE|EINECS 203-978-9|Ethanol, 2-[2-(2-ethoxyethoxy)ethoxy]-|Ethoxytriethylene glycol|Ethoxytriglycol|Ethyltriglycol|Poly-Solv TE|Poly-solve TE|TRIAETHYLENGLYKOL-MONOAETHYLAETHER|Triethylene glycol ethyl ether|Triethylene glycol monoethyl ether|TRIETHYLENEGLYCOL MONOETHYL ETHER|Triglycol monoethyl ether|UNDECAN-1-OL, 3,6,9-TRIOXA-|UNII-4G0E2G9582 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024368
ARPathway2016 ARPathway2016_605 2-[2-(2-Methoxyethoxy)ethoxy]ethanol 112-35-6 DTXSID5026912 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COCCOCCOCCO 2-[2-(2-Methoxyethoxy)ethoxy]ethanol 112-35-6|2-[2-(2-Methoxyethoxy)ethoxy]ethanol|2-(2-(2-Methoxyethoxy)ethoxy)ethanol|2-(2-(2-metoxietoxi)etoxi)etanol|2-[2-(Methoxyethoxy)ethoxy]ethanol|3,6,9-Trioxa-1-decanol|3,6,9-Trioxadecanol|Bikanol M 3|BRN 1700198|DECAN-1-OL, 3,6,9-TRIOXA-|Dowanol TMAT|EINECS 203-962-1|Ethanol, 2-[2-(2-methoxyethoxy)ethoxy]-|Hymol TM|Methoxytriethylene glycol|METHOXYTRIETHYLENEGLYCOL|METHOXYTRIGLYCOL|Methyl triethylene glycol|Methyltriglycol|Methyltrioxitol|NSC 97395|Poly-Solv TM|TRIAETHYLENGLYKOL-MONOMETHYLAETHER|TRIETHYLENE GLYCOL METHYL ETHER|Triethylene glycol monomethyl ether|Triethylene Glycol Monomethyl-ether|TRIETHYLENE GLYCOL MONOMETHYLETHER|Triethylene glycolmonomethyl ether|Triglycol monomethyl ether|UNII-DN0P4Q4I16 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026912
ARPathway2016 ARPathway2016_605 2-[2-(2-Methoxyethoxy)ethoxy]ethanol 112-35-6 DTXSID5026912 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COCCOCCOCCO 2-[2-(2-Methoxyethoxy)ethoxy]ethanol 112-35-6|2-[2-(2-Methoxyethoxy)ethoxy]ethanol|2-(2-(2-Methoxyethoxy)ethoxy)ethanol|2-(2-(2-metoxietoxi)etoxi)etanol|2-[2-(Methoxyethoxy)ethoxy]ethanol|3,6,9-Trioxa-1-decanol|3,6,9-Trioxadecanol|Bikanol M 3|BRN 1700198|DECAN-1-OL, 3,6,9-TRIOXA-|Dowanol TMAT|EINECS 203-962-1|Ethanol, 2-[2-(2-methoxyethoxy)ethoxy]-|Hymol TM|Methoxytriethylene glycol|METHOXYTRIETHYLENEGLYCOL|METHOXYTRIGLYCOL|Methyl triethylene glycol|Methyltriglycol|Methyltrioxitol|NSC 97395|Poly-Solv TM|TRIAETHYLENGLYKOL-MONOMETHYLAETHER|TRIETHYLENE GLYCOL METHYL ETHER|Triethylene glycol monomethyl ether|Triethylene Glycol Monomethyl-ether|TRIETHYLENE GLYCOL MONOMETHYLETHER|Triethylene glycolmonomethyl ether|Triglycol monomethyl ether|UNII-DN0P4Q4I16 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026912
ARPathway2016 ARPathway2016_605 2-[2-(2-Methoxyethoxy)ethoxy]ethanol 112-35-6 DTXSID5026912 0.0 AR Pathway Model, Agonist Call Inactive Unitless COCCOCCOCCO 2-[2-(2-Methoxyethoxy)ethoxy]ethanol 112-35-6|2-[2-(2-Methoxyethoxy)ethoxy]ethanol|2-(2-(2-Methoxyethoxy)ethoxy)ethanol|2-(2-(2-metoxietoxi)etoxi)etanol|2-[2-(Methoxyethoxy)ethoxy]ethanol|3,6,9-Trioxa-1-decanol|3,6,9-Trioxadecanol|Bikanol M 3|BRN 1700198|DECAN-1-OL, 3,6,9-TRIOXA-|Dowanol TMAT|EINECS 203-962-1|Ethanol, 2-[2-(2-methoxyethoxy)ethoxy]-|Hymol TM|Methoxytriethylene glycol|METHOXYTRIETHYLENEGLYCOL|METHOXYTRIGLYCOL|Methyl triethylene glycol|Methyltriglycol|Methyltrioxitol|NSC 97395|Poly-Solv TM|TRIAETHYLENGLYKOL-MONOMETHYLAETHER|TRIETHYLENE GLYCOL METHYL ETHER|Triethylene glycol monomethyl ether|Triethylene Glycol Monomethyl-ether|TRIETHYLENE GLYCOL MONOMETHYLETHER|Triethylene glycolmonomethyl ether|Triglycol monomethyl ether|UNII-DN0P4Q4I16 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026912
ARPathway2016 ARPathway2016_605 2-[2-(2-Methoxyethoxy)ethoxy]ethanol 112-35-6 DTXSID5026912 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COCCOCCOCCO 2-[2-(2-Methoxyethoxy)ethoxy]ethanol 112-35-6|2-[2-(2-Methoxyethoxy)ethoxy]ethanol|2-(2-(2-Methoxyethoxy)ethoxy)ethanol|2-(2-(2-metoxietoxi)etoxi)etanol|2-[2-(Methoxyethoxy)ethoxy]ethanol|3,6,9-Trioxa-1-decanol|3,6,9-Trioxadecanol|Bikanol M 3|BRN 1700198|DECAN-1-OL, 3,6,9-TRIOXA-|Dowanol TMAT|EINECS 203-962-1|Ethanol, 2-[2-(2-methoxyethoxy)ethoxy]-|Hymol TM|Methoxytriethylene glycol|METHOXYTRIETHYLENEGLYCOL|METHOXYTRIGLYCOL|Methyl triethylene glycol|Methyltriglycol|Methyltrioxitol|NSC 97395|Poly-Solv TM|TRIAETHYLENGLYKOL-MONOMETHYLAETHER|TRIETHYLENE GLYCOL METHYL ETHER|Triethylene glycol monomethyl ether|Triethylene Glycol Monomethyl-ether|TRIETHYLENE GLYCOL MONOMETHYLETHER|Triethylene glycolmonomethyl ether|Triglycol monomethyl ether|UNII-DN0P4Q4I16 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026912
ERPathway2016 ERPathway2016_1173 2-[2-(2-Methoxyethoxy)ethoxy]ethanol 112-35-6 DTXSID5026912 ER Pathway Model, Agonist Model Score 0 Unitless COCCOCCOCCO 2-[2-(2-Methoxyethoxy)ethoxy]ethanol 112-35-6|2-[2-(2-Methoxyethoxy)ethoxy]ethanol|2-(2-(2-Methoxyethoxy)ethoxy)ethanol|2-(2-(2-metoxietoxi)etoxi)etanol|2-[2-(Methoxyethoxy)ethoxy]ethanol|3,6,9-Trioxa-1-decanol|3,6,9-Trioxadecanol|Bikanol M 3|BRN 1700198|DECAN-1-OL, 3,6,9-TRIOXA-|Dowanol TMAT|EINECS 203-962-1|Ethanol, 2-[2-(2-methoxyethoxy)ethoxy]-|Hymol TM|Methoxytriethylene glycol|METHOXYTRIETHYLENEGLYCOL|METHOXYTRIGLYCOL|Methyl triethylene glycol|Methyltriglycol|Methyltrioxitol|NSC 97395|Poly-Solv TM|TRIAETHYLENGLYKOL-MONOMETHYLAETHER|TRIETHYLENE GLYCOL METHYL ETHER|Triethylene glycol monomethyl ether|Triethylene Glycol Monomethyl-ether|TRIETHYLENE GLYCOL MONOMETHYLETHER|Triethylene glycolmonomethyl ether|Triglycol monomethyl ether|UNII-DN0P4Q4I16 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026912
ERPathway2016 ERPathway2016_1173 2-[2-(2-Methoxyethoxy)ethoxy]ethanol 112-35-6 DTXSID5026912 ER Pathway Model, Antagonist Model Score 0 Unitless COCCOCCOCCO 2-[2-(2-Methoxyethoxy)ethoxy]ethanol 112-35-6|2-[2-(2-Methoxyethoxy)ethoxy]ethanol|2-(2-(2-Methoxyethoxy)ethoxy)ethanol|2-(2-(2-metoxietoxi)etoxi)etanol|2-[2-(Methoxyethoxy)ethoxy]ethanol|3,6,9-Trioxa-1-decanol|3,6,9-Trioxadecanol|Bikanol M 3|BRN 1700198|DECAN-1-OL, 3,6,9-TRIOXA-|Dowanol TMAT|EINECS 203-962-1|Ethanol, 2-[2-(2-methoxyethoxy)ethoxy]-|Hymol TM|Methoxytriethylene glycol|METHOXYTRIETHYLENEGLYCOL|METHOXYTRIGLYCOL|Methyl triethylene glycol|Methyltriglycol|Methyltrioxitol|NSC 97395|Poly-Solv TM|TRIAETHYLENGLYKOL-MONOMETHYLAETHER|TRIETHYLENE GLYCOL METHYL ETHER|Triethylene glycol monomethyl ether|Triethylene Glycol Monomethyl-ether|TRIETHYLENE GLYCOL MONOMETHYLETHER|Triethylene glycolmonomethyl ether|Triglycol monomethyl ether|UNII-DN0P4Q4I16 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026912
ERPathway2016 ERPathway2016_1173 2-[2-(2-Methoxyethoxy)ethoxy]ethanol 112-35-6 DTXSID5026912 ER Pathway Model, Agonist Call Inactive Unitless COCCOCCOCCO 2-[2-(2-Methoxyethoxy)ethoxy]ethanol 112-35-6|2-[2-(2-Methoxyethoxy)ethoxy]ethanol|2-(2-(2-Methoxyethoxy)ethoxy)ethanol|2-(2-(2-metoxietoxi)etoxi)etanol|2-[2-(Methoxyethoxy)ethoxy]ethanol|3,6,9-Trioxa-1-decanol|3,6,9-Trioxadecanol|Bikanol M 3|BRN 1700198|DECAN-1-OL, 3,6,9-TRIOXA-|Dowanol TMAT|EINECS 203-962-1|Ethanol, 2-[2-(2-methoxyethoxy)ethoxy]-|Hymol TM|Methoxytriethylene glycol|METHOXYTRIETHYLENEGLYCOL|METHOXYTRIGLYCOL|Methyl triethylene glycol|Methyltriglycol|Methyltrioxitol|NSC 97395|Poly-Solv TM|TRIAETHYLENGLYKOL-MONOMETHYLAETHER|TRIETHYLENE GLYCOL METHYL ETHER|Triethylene glycol monomethyl ether|Triethylene Glycol Monomethyl-ether|TRIETHYLENE GLYCOL MONOMETHYLETHER|Triethylene glycolmonomethyl ether|Triglycol monomethyl ether|UNII-DN0P4Q4I16 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026912
ERPathway2016 ERPathway2016_1173 2-[2-(2-Methoxyethoxy)ethoxy]ethanol 112-35-6 DTXSID5026912 ER Pathway Model, Antagonist Call Inactive Unitless COCCOCCOCCO 2-[2-(2-Methoxyethoxy)ethoxy]ethanol 112-35-6|2-[2-(2-Methoxyethoxy)ethoxy]ethanol|2-(2-(2-Methoxyethoxy)ethoxy)ethanol|2-(2-(2-metoxietoxi)etoxi)etanol|2-[2-(Methoxyethoxy)ethoxy]ethanol|3,6,9-Trioxa-1-decanol|3,6,9-Trioxadecanol|Bikanol M 3|BRN 1700198|DECAN-1-OL, 3,6,9-TRIOXA-|Dowanol TMAT|EINECS 203-962-1|Ethanol, 2-[2-(2-methoxyethoxy)ethoxy]-|Hymol TM|Methoxytriethylene glycol|METHOXYTRIETHYLENEGLYCOL|METHOXYTRIGLYCOL|Methyl triethylene glycol|Methyltriglycol|Methyltrioxitol|NSC 97395|Poly-Solv TM|TRIAETHYLENGLYKOL-MONOMETHYLAETHER|TRIETHYLENE GLYCOL METHYL ETHER|Triethylene glycol monomethyl ether|Triethylene Glycol Monomethyl-ether|TRIETHYLENE GLYCOL MONOMETHYLETHER|Triethylene glycolmonomethyl ether|Triglycol monomethyl ether|UNII-DN0P4Q4I16 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026912
ARPathway2016 ARPathway2016_1725 2'-Acetonaphthone 93-08-3 DTXSID2041389 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C1=CC2=CC=CC=C2C=C1 2'-Acetonaphthone 93-08-3|2'-Acetonaphthone|1-(2-Naphthalenyl)ethanone|1-(2-Naphthyl)ethanone|1-(Naphthalen-2-yl)ethanone|2-Acetonaphthone|2-Acetylnaphthalene|2-Naphthyl methyl ketone|2'-acetonaftona|2'-Acetonaphthon|2'-Acetonaphtone|4-07-00-01294|beta-acetonaphthalene|beta-acetonaphthone|beta-Acetylnaphthalene|beta-Naphthyl methyl ketone|BRN 0774965|Cetone D|EINECS 202-216-2|Ethanone, 1-(2-naphthalenyl)-|FEMA No. 2723|Ketone, methyl 2-naphthyl|METHYL 2-NAPHTHYL KETONE|Methyl beta-naphthyl ketone|Methyl b-naphthyl ketone|METHYL-b-NAPHTHYL KETONE CRYSTALLIZED|NAPHTHALENE, 2-ACETYL-|NSC 7658|Oranger crystals|Oranger cyrstals|UNII-21D49LOP2T|b-Acetonaphthone|b-Acetylnaphthalene|b-Naphthyl methyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041389
ARPathway2016 ARPathway2016_1725 2'-Acetonaphthone 93-08-3 DTXSID2041389 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)C1=CC2=CC=CC=C2C=C1 2'-Acetonaphthone 93-08-3|2'-Acetonaphthone|1-(2-Naphthalenyl)ethanone|1-(2-Naphthyl)ethanone|1-(Naphthalen-2-yl)ethanone|2-Acetonaphthone|2-Acetylnaphthalene|2-Naphthyl methyl ketone|2'-acetonaftona|2'-Acetonaphthon|2'-Acetonaphtone|4-07-00-01294|beta-acetonaphthalene|beta-acetonaphthone|beta-Acetylnaphthalene|beta-Naphthyl methyl ketone|BRN 0774965|Cetone D|EINECS 202-216-2|Ethanone, 1-(2-naphthalenyl)-|FEMA No. 2723|Ketone, methyl 2-naphthyl|METHYL 2-NAPHTHYL KETONE|Methyl beta-naphthyl ketone|Methyl b-naphthyl ketone|METHYL-b-NAPHTHYL KETONE CRYSTALLIZED|NAPHTHALENE, 2-ACETYL-|NSC 7658|Oranger crystals|Oranger cyrstals|UNII-21D49LOP2T|b-Acetonaphthone|b-Acetylnaphthalene|b-Naphthyl methyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041389
ARPathway2016 ARPathway2016_1725 2'-Acetonaphthone 93-08-3 DTXSID2041389 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)C1=CC2=CC=CC=C2C=C1 2'-Acetonaphthone 93-08-3|2'-Acetonaphthone|1-(2-Naphthalenyl)ethanone|1-(2-Naphthyl)ethanone|1-(Naphthalen-2-yl)ethanone|2-Acetonaphthone|2-Acetylnaphthalene|2-Naphthyl methyl ketone|2'-acetonaftona|2'-Acetonaphthon|2'-Acetonaphtone|4-07-00-01294|beta-acetonaphthalene|beta-acetonaphthone|beta-Acetylnaphthalene|beta-Naphthyl methyl ketone|BRN 0774965|Cetone D|EINECS 202-216-2|Ethanone, 1-(2-naphthalenyl)-|FEMA No. 2723|Ketone, methyl 2-naphthyl|METHYL 2-NAPHTHYL KETONE|Methyl beta-naphthyl ketone|Methyl b-naphthyl ketone|METHYL-b-NAPHTHYL KETONE CRYSTALLIZED|NAPHTHALENE, 2-ACETYL-|NSC 7658|Oranger crystals|Oranger cyrstals|UNII-21D49LOP2T|b-Acetonaphthone|b-Acetylnaphthalene|b-Naphthyl methyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041389
ARPathway2016 ARPathway2016_1725 2'-Acetonaphthone 93-08-3 DTXSID2041389 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)C1=CC2=CC=CC=C2C=C1 2'-Acetonaphthone 93-08-3|2'-Acetonaphthone|1-(2-Naphthalenyl)ethanone|1-(2-Naphthyl)ethanone|1-(Naphthalen-2-yl)ethanone|2-Acetonaphthone|2-Acetylnaphthalene|2-Naphthyl methyl ketone|2'-acetonaftona|2'-Acetonaphthon|2'-Acetonaphtone|4-07-00-01294|beta-acetonaphthalene|beta-acetonaphthone|beta-Acetylnaphthalene|beta-Naphthyl methyl ketone|BRN 0774965|Cetone D|EINECS 202-216-2|Ethanone, 1-(2-naphthalenyl)-|FEMA No. 2723|Ketone, methyl 2-naphthyl|METHYL 2-NAPHTHYL KETONE|Methyl beta-naphthyl ketone|Methyl b-naphthyl ketone|METHYL-b-NAPHTHYL KETONE CRYSTALLIZED|NAPHTHALENE, 2-ACETYL-|NSC 7658|Oranger crystals|Oranger cyrstals|UNII-21D49LOP2T|b-Acetonaphthone|b-Acetylnaphthalene|b-Naphthyl methyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041389
ERPathway2016 ERPathway2016_471 2'-Acetonaphthone 93-08-3 DTXSID2041389 A12 ER Pathway Model, Antagonist AC50 32.598468960281 uM CC(=O)C1=CC2=CC=CC=C2C=C1 2'-Acetonaphthone 93-08-3|2'-Acetonaphthone|1-(2-Naphthalenyl)ethanone|1-(2-Naphthyl)ethanone|1-(Naphthalen-2-yl)ethanone|2-Acetonaphthone|2-Acetylnaphthalene|2-Naphthyl methyl ketone|2'-acetonaftona|2'-Acetonaphthon|2'-Acetonaphtone|4-07-00-01294|beta-acetonaphthalene|beta-acetonaphthone|beta-Acetylnaphthalene|beta-Naphthyl methyl ketone|BRN 0774965|Cetone D|EINECS 202-216-2|Ethanone, 1-(2-naphthalenyl)-|FEMA No. 2723|Ketone, methyl 2-naphthyl|METHYL 2-NAPHTHYL KETONE|Methyl beta-naphthyl ketone|Methyl b-naphthyl ketone|METHYL-b-NAPHTHYL KETONE CRYSTALLIZED|NAPHTHALENE, 2-ACETYL-|NSC 7658|Oranger crystals|Oranger cyrstals|UNII-21D49LOP2T|b-Acetonaphthone|b-Acetylnaphthalene|b-Naphthyl methyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041389
ERPathway2016 ERPathway2016_471 2'-Acetonaphthone 93-08-3 DTXSID2041389 A12 ER Pathway Model, Antagonist ACC 50.5714407806539 uM CC(=O)C1=CC2=CC=CC=C2C=C1 2'-Acetonaphthone 93-08-3|2'-Acetonaphthone|1-(2-Naphthalenyl)ethanone|1-(2-Naphthyl)ethanone|1-(Naphthalen-2-yl)ethanone|2-Acetonaphthone|2-Acetylnaphthalene|2-Naphthyl methyl ketone|2'-acetonaftona|2'-Acetonaphthon|2'-Acetonaphtone|4-07-00-01294|beta-acetonaphthalene|beta-acetonaphthone|beta-Acetylnaphthalene|beta-Naphthyl methyl ketone|BRN 0774965|Cetone D|EINECS 202-216-2|Ethanone, 1-(2-naphthalenyl)-|FEMA No. 2723|Ketone, methyl 2-naphthyl|METHYL 2-NAPHTHYL KETONE|Methyl beta-naphthyl ketone|Methyl b-naphthyl ketone|METHYL-b-NAPHTHYL KETONE CRYSTALLIZED|NAPHTHALENE, 2-ACETYL-|NSC 7658|Oranger crystals|Oranger cyrstals|UNII-21D49LOP2T|b-Acetonaphthone|b-Acetylnaphthalene|b-Naphthyl methyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041389
ERPathway2016 ERPathway2016_471 2'-Acetonaphthone 93-08-3 DTXSID2041389 A12 ER Pathway Model, Agonist Model Score 0.00257 Unitless CC(=O)C1=CC2=CC=CC=C2C=C1 2'-Acetonaphthone 93-08-3|2'-Acetonaphthone|1-(2-Naphthalenyl)ethanone|1-(2-Naphthyl)ethanone|1-(Naphthalen-2-yl)ethanone|2-Acetonaphthone|2-Acetylnaphthalene|2-Naphthyl methyl ketone|2'-acetonaftona|2'-Acetonaphthon|2'-Acetonaphtone|4-07-00-01294|beta-acetonaphthalene|beta-acetonaphthone|beta-Acetylnaphthalene|beta-Naphthyl methyl ketone|BRN 0774965|Cetone D|EINECS 202-216-2|Ethanone, 1-(2-naphthalenyl)-|FEMA No. 2723|Ketone, methyl 2-naphthyl|METHYL 2-NAPHTHYL KETONE|Methyl beta-naphthyl ketone|Methyl b-naphthyl ketone|METHYL-b-NAPHTHYL KETONE CRYSTALLIZED|NAPHTHALENE, 2-ACETYL-|NSC 7658|Oranger crystals|Oranger cyrstals|UNII-21D49LOP2T|b-Acetonaphthone|b-Acetylnaphthalene|b-Naphthyl methyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041389
ERPathway2016 ERPathway2016_471 2'-Acetonaphthone 93-08-3 DTXSID2041389 A12 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C1=CC2=CC=CC=C2C=C1 2'-Acetonaphthone 93-08-3|2'-Acetonaphthone|1-(2-Naphthalenyl)ethanone|1-(2-Naphthyl)ethanone|1-(Naphthalen-2-yl)ethanone|2-Acetonaphthone|2-Acetylnaphthalene|2-Naphthyl methyl ketone|2'-acetonaftona|2'-Acetonaphthon|2'-Acetonaphtone|4-07-00-01294|beta-acetonaphthalene|beta-acetonaphthone|beta-Acetylnaphthalene|beta-Naphthyl methyl ketone|BRN 0774965|Cetone D|EINECS 202-216-2|Ethanone, 1-(2-naphthalenyl)-|FEMA No. 2723|Ketone, methyl 2-naphthyl|METHYL 2-NAPHTHYL KETONE|Methyl beta-naphthyl ketone|Methyl b-naphthyl ketone|METHYL-b-NAPHTHYL KETONE CRYSTALLIZED|NAPHTHALENE, 2-ACETYL-|NSC 7658|Oranger crystals|Oranger cyrstals|UNII-21D49LOP2T|b-Acetonaphthone|b-Acetylnaphthalene|b-Naphthyl methyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041389
ERPathway2016 ERPathway2016_471 2'-Acetonaphthone 93-08-3 DTXSID2041389 A12 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)C1=CC2=CC=CC=C2C=C1 2'-Acetonaphthone 93-08-3|2'-Acetonaphthone|1-(2-Naphthalenyl)ethanone|1-(2-Naphthyl)ethanone|1-(Naphthalen-2-yl)ethanone|2-Acetonaphthone|2-Acetylnaphthalene|2-Naphthyl methyl ketone|2'-acetonaftona|2'-Acetonaphthon|2'-Acetonaphtone|4-07-00-01294|beta-acetonaphthalene|beta-acetonaphthone|beta-Acetylnaphthalene|beta-Naphthyl methyl ketone|BRN 0774965|Cetone D|EINECS 202-216-2|Ethanone, 1-(2-naphthalenyl)-|FEMA No. 2723|Ketone, methyl 2-naphthyl|METHYL 2-NAPHTHYL KETONE|Methyl beta-naphthyl ketone|Methyl b-naphthyl ketone|METHYL-b-NAPHTHYL KETONE CRYSTALLIZED|NAPHTHALENE, 2-ACETYL-|NSC 7658|Oranger crystals|Oranger cyrstals|UNII-21D49LOP2T|b-Acetonaphthone|b-Acetylnaphthalene|b-Naphthyl methyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041389
ERPathway2016 ERPathway2016_471 2'-Acetonaphthone 93-08-3 DTXSID2041389 A12 ER Pathway Model, Antagonist Call Active Unitless CC(=O)C1=CC2=CC=CC=C2C=C1 2'-Acetonaphthone 93-08-3|2'-Acetonaphthone|1-(2-Naphthalenyl)ethanone|1-(2-Naphthyl)ethanone|1-(Naphthalen-2-yl)ethanone|2-Acetonaphthone|2-Acetylnaphthalene|2-Naphthyl methyl ketone|2'-acetonaftona|2'-Acetonaphthon|2'-Acetonaphtone|4-07-00-01294|beta-acetonaphthalene|beta-acetonaphthone|beta-Acetylnaphthalene|beta-Naphthyl methyl ketone|BRN 0774965|Cetone D|EINECS 202-216-2|Ethanone, 1-(2-naphthalenyl)-|FEMA No. 2723|Ketone, methyl 2-naphthyl|METHYL 2-NAPHTHYL KETONE|Methyl beta-naphthyl ketone|Methyl b-naphthyl ketone|METHYL-b-NAPHTHYL KETONE CRYSTALLIZED|NAPHTHALENE, 2-ACETYL-|NSC 7658|Oranger crystals|Oranger cyrstals|UNII-21D49LOP2T|b-Acetonaphthone|b-Acetylnaphthalene|b-Naphthyl methyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041389
ARPathway2016 ARPathway2016_887 2-Acrylamido-2-methyl-1-propanesulfonic acid 15214-89-8 DTXSID5027770 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(CS(O)(=O)=O)NC(=O)C=C 2-Acrylamido-2-methyl-1-propanesulfonic acid 15214-89-8|2-Acrylamido-2-methyl-1-propanesulfonic acid|1-Propanesulfonic acid, 2-acrylamido-2-methyl-|1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]-|1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propenyl)amino]-|2-Acrylamido-2-methylpropane sulfonic acid|2-Acrylamido-2-methylpropanesulfonic acid|2-acrylamido-2-methylpropanesulphonic acid|2-Acrylamido-2-methylpropansulfonsaeure|2-Acrylamido-2,2-dimethylethanesulfonic acid|2-Acryloamido-2-methyl-1-propanesulfonic acid|2-Acryloylamino-2-methyl-1-propane-sulfonic acid|2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid|239-268-0|Acide 2-acrylamido-2-methylpropanesulfonique|acido 2-acrilamido-2-metilpropanosulfonico|Acrylamide tert-butylsulfonic acid|AMPS|EC No.: 239-268-0|EINECS 239-268-0|Lubrizol 2404|Lubrizol AMPS|PROPANESULFONIC ACID, 2-ACRYLAMIDO-2-METHYL-|UNII-490HQE5KI5|107240-62-0|114705-58-7|1211475-04-5|127889-32-1|1390640-03-5|155380-40-8|155401-75-5|1600517-24-5|2146156-10-5|2321346-04-5|382655-32-5|82989-71-7|936232-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027770
ARPathway2016 ARPathway2016_887 2-Acrylamido-2-methyl-1-propanesulfonic acid 15214-89-8 DTXSID5027770 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(CS(O)(=O)=O)NC(=O)C=C 2-Acrylamido-2-methyl-1-propanesulfonic acid 15214-89-8|2-Acrylamido-2-methyl-1-propanesulfonic acid|1-Propanesulfonic acid, 2-acrylamido-2-methyl-|1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]-|1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propenyl)amino]-|2-Acrylamido-2-methylpropane sulfonic acid|2-Acrylamido-2-methylpropanesulfonic acid|2-acrylamido-2-methylpropanesulphonic acid|2-Acrylamido-2-methylpropansulfonsaeure|2-Acrylamido-2,2-dimethylethanesulfonic acid|2-Acryloamido-2-methyl-1-propanesulfonic acid|2-Acryloylamino-2-methyl-1-propane-sulfonic acid|2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid|239-268-0|Acide 2-acrylamido-2-methylpropanesulfonique|acido 2-acrilamido-2-metilpropanosulfonico|Acrylamide tert-butylsulfonic acid|AMPS|EC No.: 239-268-0|EINECS 239-268-0|Lubrizol 2404|Lubrizol AMPS|PROPANESULFONIC ACID, 2-ACRYLAMIDO-2-METHYL-|UNII-490HQE5KI5|107240-62-0|114705-58-7|1211475-04-5|127889-32-1|1390640-03-5|155380-40-8|155401-75-5|1600517-24-5|2146156-10-5|2321346-04-5|382655-32-5|82989-71-7|936232-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027770
ARPathway2016 ARPathway2016_887 2-Acrylamido-2-methyl-1-propanesulfonic acid 15214-89-8 DTXSID5027770 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(CS(O)(=O)=O)NC(=O)C=C 2-Acrylamido-2-methyl-1-propanesulfonic acid 15214-89-8|2-Acrylamido-2-methyl-1-propanesulfonic acid|1-Propanesulfonic acid, 2-acrylamido-2-methyl-|1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]-|1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propenyl)amino]-|2-Acrylamido-2-methylpropane sulfonic acid|2-Acrylamido-2-methylpropanesulfonic acid|2-acrylamido-2-methylpropanesulphonic acid|2-Acrylamido-2-methylpropansulfonsaeure|2-Acrylamido-2,2-dimethylethanesulfonic acid|2-Acryloamido-2-methyl-1-propanesulfonic acid|2-Acryloylamino-2-methyl-1-propane-sulfonic acid|2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid|239-268-0|Acide 2-acrylamido-2-methylpropanesulfonique|acido 2-acrilamido-2-metilpropanosulfonico|Acrylamide tert-butylsulfonic acid|AMPS|EC No.: 239-268-0|EINECS 239-268-0|Lubrizol 2404|Lubrizol AMPS|PROPANESULFONIC ACID, 2-ACRYLAMIDO-2-METHYL-|UNII-490HQE5KI5|107240-62-0|114705-58-7|1211475-04-5|127889-32-1|1390640-03-5|155380-40-8|155401-75-5|1600517-24-5|2146156-10-5|2321346-04-5|382655-32-5|82989-71-7|936232-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027770
ARPathway2016 ARPathway2016_887 2-Acrylamido-2-methyl-1-propanesulfonic acid 15214-89-8 DTXSID5027770 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(CS(O)(=O)=O)NC(=O)C=C 2-Acrylamido-2-methyl-1-propanesulfonic acid 15214-89-8|2-Acrylamido-2-methyl-1-propanesulfonic acid|1-Propanesulfonic acid, 2-acrylamido-2-methyl-|1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]-|1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propenyl)amino]-|2-Acrylamido-2-methylpropane sulfonic acid|2-Acrylamido-2-methylpropanesulfonic acid|2-acrylamido-2-methylpropanesulphonic acid|2-Acrylamido-2-methylpropansulfonsaeure|2-Acrylamido-2,2-dimethylethanesulfonic acid|2-Acryloamido-2-methyl-1-propanesulfonic acid|2-Acryloylamino-2-methyl-1-propane-sulfonic acid|2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid|239-268-0|Acide 2-acrylamido-2-methylpropanesulfonique|acido 2-acrilamido-2-metilpropanosulfonico|Acrylamide tert-butylsulfonic acid|AMPS|EC No.: 239-268-0|EINECS 239-268-0|Lubrizol 2404|Lubrizol AMPS|PROPANESULFONIC ACID, 2-ACRYLAMIDO-2-METHYL-|UNII-490HQE5KI5|107240-62-0|114705-58-7|1211475-04-5|127889-32-1|1390640-03-5|155380-40-8|155401-75-5|1600517-24-5|2146156-10-5|2321346-04-5|382655-32-5|82989-71-7|936232-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027770
ERPathway2016 ERPathway2016_1323 2-Acrylamido-2-methyl-1-propanesulfonic acid 15214-89-8 DTXSID5027770 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(CS(O)(=O)=O)NC(=O)C=C 2-Acrylamido-2-methyl-1-propanesulfonic acid 15214-89-8|2-Acrylamido-2-methyl-1-propanesulfonic acid|1-Propanesulfonic acid, 2-acrylamido-2-methyl-|1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]-|1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propenyl)amino]-|2-Acrylamido-2-methylpropane sulfonic acid|2-Acrylamido-2-methylpropanesulfonic acid|2-acrylamido-2-methylpropanesulphonic acid|2-Acrylamido-2-methylpropansulfonsaeure|2-Acrylamido-2,2-dimethylethanesulfonic acid|2-Acryloamido-2-methyl-1-propanesulfonic acid|2-Acryloylamino-2-methyl-1-propane-sulfonic acid|2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid|239-268-0|Acide 2-acrylamido-2-methylpropanesulfonique|acido 2-acrilamido-2-metilpropanosulfonico|Acrylamide tert-butylsulfonic acid|AMPS|EC No.: 239-268-0|EINECS 239-268-0|Lubrizol 2404|Lubrizol AMPS|PROPANESULFONIC ACID, 2-ACRYLAMIDO-2-METHYL-|UNII-490HQE5KI5|107240-62-0|114705-58-7|1211475-04-5|127889-32-1|1390640-03-5|155380-40-8|155401-75-5|1600517-24-5|2146156-10-5|2321346-04-5|382655-32-5|82989-71-7|936232-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027770
ERPathway2016 ERPathway2016_1323 2-Acrylamido-2-methyl-1-propanesulfonic acid 15214-89-8 DTXSID5027770 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(CS(O)(=O)=O)NC(=O)C=C 2-Acrylamido-2-methyl-1-propanesulfonic acid 15214-89-8|2-Acrylamido-2-methyl-1-propanesulfonic acid|1-Propanesulfonic acid, 2-acrylamido-2-methyl-|1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]-|1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propenyl)amino]-|2-Acrylamido-2-methylpropane sulfonic acid|2-Acrylamido-2-methylpropanesulfonic acid|2-acrylamido-2-methylpropanesulphonic acid|2-Acrylamido-2-methylpropansulfonsaeure|2-Acrylamido-2,2-dimethylethanesulfonic acid|2-Acryloamido-2-methyl-1-propanesulfonic acid|2-Acryloylamino-2-methyl-1-propane-sulfonic acid|2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid|239-268-0|Acide 2-acrylamido-2-methylpropanesulfonique|acido 2-acrilamido-2-metilpropanosulfonico|Acrylamide tert-butylsulfonic acid|AMPS|EC No.: 239-268-0|EINECS 239-268-0|Lubrizol 2404|Lubrizol AMPS|PROPANESULFONIC ACID, 2-ACRYLAMIDO-2-METHYL-|UNII-490HQE5KI5|107240-62-0|114705-58-7|1211475-04-5|127889-32-1|1390640-03-5|155380-40-8|155401-75-5|1600517-24-5|2146156-10-5|2321346-04-5|382655-32-5|82989-71-7|936232-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027770
ERPathway2016 ERPathway2016_1323 2-Acrylamido-2-methyl-1-propanesulfonic acid 15214-89-8 DTXSID5027770 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(CS(O)(=O)=O)NC(=O)C=C 2-Acrylamido-2-methyl-1-propanesulfonic acid 15214-89-8|2-Acrylamido-2-methyl-1-propanesulfonic acid|1-Propanesulfonic acid, 2-acrylamido-2-methyl-|1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]-|1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propenyl)amino]-|2-Acrylamido-2-methylpropane sulfonic acid|2-Acrylamido-2-methylpropanesulfonic acid|2-acrylamido-2-methylpropanesulphonic acid|2-Acrylamido-2-methylpropansulfonsaeure|2-Acrylamido-2,2-dimethylethanesulfonic acid|2-Acryloamido-2-methyl-1-propanesulfonic acid|2-Acryloylamino-2-methyl-1-propane-sulfonic acid|2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid|239-268-0|Acide 2-acrylamido-2-methylpropanesulfonique|acido 2-acrilamido-2-metilpropanosulfonico|Acrylamide tert-butylsulfonic acid|AMPS|EC No.: 239-268-0|EINECS 239-268-0|Lubrizol 2404|Lubrizol AMPS|PROPANESULFONIC ACID, 2-ACRYLAMIDO-2-METHYL-|UNII-490HQE5KI5|107240-62-0|114705-58-7|1211475-04-5|127889-32-1|1390640-03-5|155380-40-8|155401-75-5|1600517-24-5|2146156-10-5|2321346-04-5|382655-32-5|82989-71-7|936232-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027770
ERPathway2016 ERPathway2016_1323 2-Acrylamido-2-methyl-1-propanesulfonic acid 15214-89-8 DTXSID5027770 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(CS(O)(=O)=O)NC(=O)C=C 2-Acrylamido-2-methyl-1-propanesulfonic acid 15214-89-8|2-Acrylamido-2-methyl-1-propanesulfonic acid|1-Propanesulfonic acid, 2-acrylamido-2-methyl-|1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]-|1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propenyl)amino]-|2-Acrylamido-2-methylpropane sulfonic acid|2-Acrylamido-2-methylpropanesulfonic acid|2-acrylamido-2-methylpropanesulphonic acid|2-Acrylamido-2-methylpropansulfonsaeure|2-Acrylamido-2,2-dimethylethanesulfonic acid|2-Acryloamido-2-methyl-1-propanesulfonic acid|2-Acryloylamino-2-methyl-1-propane-sulfonic acid|2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid|239-268-0|Acide 2-acrylamido-2-methylpropanesulfonique|acido 2-acrilamido-2-metilpropanosulfonico|Acrylamide tert-butylsulfonic acid|AMPS|EC No.: 239-268-0|EINECS 239-268-0|Lubrizol 2404|Lubrizol AMPS|PROPANESULFONIC ACID, 2-ACRYLAMIDO-2-METHYL-|UNII-490HQE5KI5|107240-62-0|114705-58-7|1211475-04-5|127889-32-1|1390640-03-5|155380-40-8|155401-75-5|1600517-24-5|2146156-10-5|2321346-04-5|382655-32-5|82989-71-7|936232-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027770
ARPathway2016 ARPathway2016_738 2-Amino-2-methylpropan-1-ol 124-68-5 DTXSID8027032 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(N)CO 2-Amino-2-methylpropan-1-ol 124-68-5|2-Amino-2-methylpropan-1-ol|1-PROPANOL, 2-AMINO-2-METHYL|1-Propanol, 2-amino-2-methyl-|1,1-Dimethyl-2-hydroxyethylamine|2-Amino-1-hydroxy-2-methylpropane|2-Amino-2-methyl-1-propanol|2-AMINO-2-METHYL-PROPANOL|2-Amino-2-methylpropanol|2-amino-2-metilpropanol|2-Amino-2,2-dimethylethanol|2-Aminodimethylethanol|2-AMINOISOBUTANOL|2-Hydroxy-1,1-dimethylethylamine|2-Hydroxymethyl-2-propylamine|2-Methyl-2-amino-1-propanol|2-Methyl-2-aminopropanol|2-Methyl-2-aminopropanol-1|2,2-Dimethylethanolamine|AMINO-2-METHYLPROPANOL, 2-|AMINOMETHYLPROPANOL|AMP Regular|beta-Aminoisobutanol|BRN 0505979|Caswell No. 037|Corrguard 75|EINECS 204-709-8|EPA Pesticide Chemical Code 005801|Hydroxy-tert-butylamine|Isobutanol-2-amine|NSC 441|Pamabron|PROPAN-1-OL, 2-AMINO-2-METHYL-|PROPANOL, 2-AMINO-2-METHYL-|UNII-LU49E6626Q|b-Aminoisobutanol|189832-99-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027032
ARPathway2016 ARPathway2016_738 2-Amino-2-methylpropan-1-ol 124-68-5 DTXSID8027032 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(N)CO 2-Amino-2-methylpropan-1-ol 124-68-5|2-Amino-2-methylpropan-1-ol|1-PROPANOL, 2-AMINO-2-METHYL|1-Propanol, 2-amino-2-methyl-|1,1-Dimethyl-2-hydroxyethylamine|2-Amino-1-hydroxy-2-methylpropane|2-Amino-2-methyl-1-propanol|2-AMINO-2-METHYL-PROPANOL|2-Amino-2-methylpropanol|2-amino-2-metilpropanol|2-Amino-2,2-dimethylethanol|2-Aminodimethylethanol|2-AMINOISOBUTANOL|2-Hydroxy-1,1-dimethylethylamine|2-Hydroxymethyl-2-propylamine|2-Methyl-2-amino-1-propanol|2-Methyl-2-aminopropanol|2-Methyl-2-aminopropanol-1|2,2-Dimethylethanolamine|AMINO-2-METHYLPROPANOL, 2-|AMINOMETHYLPROPANOL|AMP Regular|beta-Aminoisobutanol|BRN 0505979|Caswell No. 037|Corrguard 75|EINECS 204-709-8|EPA Pesticide Chemical Code 005801|Hydroxy-tert-butylamine|Isobutanol-2-amine|NSC 441|Pamabron|PROPAN-1-OL, 2-AMINO-2-METHYL-|PROPANOL, 2-AMINO-2-METHYL-|UNII-LU49E6626Q|b-Aminoisobutanol|189832-99-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027032
ARPathway2016 ARPathway2016_738 2-Amino-2-methylpropan-1-ol 124-68-5 DTXSID8027032 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(N)CO 2-Amino-2-methylpropan-1-ol 124-68-5|2-Amino-2-methylpropan-1-ol|1-PROPANOL, 2-AMINO-2-METHYL|1-Propanol, 2-amino-2-methyl-|1,1-Dimethyl-2-hydroxyethylamine|2-Amino-1-hydroxy-2-methylpropane|2-Amino-2-methyl-1-propanol|2-AMINO-2-METHYL-PROPANOL|2-Amino-2-methylpropanol|2-amino-2-metilpropanol|2-Amino-2,2-dimethylethanol|2-Aminodimethylethanol|2-AMINOISOBUTANOL|2-Hydroxy-1,1-dimethylethylamine|2-Hydroxymethyl-2-propylamine|2-Methyl-2-amino-1-propanol|2-Methyl-2-aminopropanol|2-Methyl-2-aminopropanol-1|2,2-Dimethylethanolamine|AMINO-2-METHYLPROPANOL, 2-|AMINOMETHYLPROPANOL|AMP Regular|beta-Aminoisobutanol|BRN 0505979|Caswell No. 037|Corrguard 75|EINECS 204-709-8|EPA Pesticide Chemical Code 005801|Hydroxy-tert-butylamine|Isobutanol-2-amine|NSC 441|Pamabron|PROPAN-1-OL, 2-AMINO-2-METHYL-|PROPANOL, 2-AMINO-2-METHYL-|UNII-LU49E6626Q|b-Aminoisobutanol|189832-99-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027032
ARPathway2016 ARPathway2016_738 2-Amino-2-methylpropan-1-ol 124-68-5 DTXSID8027032 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(N)CO 2-Amino-2-methylpropan-1-ol 124-68-5|2-Amino-2-methylpropan-1-ol|1-PROPANOL, 2-AMINO-2-METHYL|1-Propanol, 2-amino-2-methyl-|1,1-Dimethyl-2-hydroxyethylamine|2-Amino-1-hydroxy-2-methylpropane|2-Amino-2-methyl-1-propanol|2-AMINO-2-METHYL-PROPANOL|2-Amino-2-methylpropanol|2-amino-2-metilpropanol|2-Amino-2,2-dimethylethanol|2-Aminodimethylethanol|2-AMINOISOBUTANOL|2-Hydroxy-1,1-dimethylethylamine|2-Hydroxymethyl-2-propylamine|2-Methyl-2-amino-1-propanol|2-Methyl-2-aminopropanol|2-Methyl-2-aminopropanol-1|2,2-Dimethylethanolamine|AMINO-2-METHYLPROPANOL, 2-|AMINOMETHYLPROPANOL|AMP Regular|beta-Aminoisobutanol|BRN 0505979|Caswell No. 037|Corrguard 75|EINECS 204-709-8|EPA Pesticide Chemical Code 005801|Hydroxy-tert-butylamine|Isobutanol-2-amine|NSC 441|Pamabron|PROPAN-1-OL, 2-AMINO-2-METHYL-|PROPANOL, 2-AMINO-2-METHYL-|UNII-LU49E6626Q|b-Aminoisobutanol|189832-99-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027032
ERPathway2016 ERPathway2016_1249 2-Amino-2-methylpropan-1-ol 124-68-5 DTXSID8027032 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(N)CO 2-Amino-2-methylpropan-1-ol 124-68-5|2-Amino-2-methylpropan-1-ol|1-PROPANOL, 2-AMINO-2-METHYL|1-Propanol, 2-amino-2-methyl-|1,1-Dimethyl-2-hydroxyethylamine|2-Amino-1-hydroxy-2-methylpropane|2-Amino-2-methyl-1-propanol|2-AMINO-2-METHYL-PROPANOL|2-Amino-2-methylpropanol|2-amino-2-metilpropanol|2-Amino-2,2-dimethylethanol|2-Aminodimethylethanol|2-AMINOISOBUTANOL|2-Hydroxy-1,1-dimethylethylamine|2-Hydroxymethyl-2-propylamine|2-Methyl-2-amino-1-propanol|2-Methyl-2-aminopropanol|2-Methyl-2-aminopropanol-1|2,2-Dimethylethanolamine|AMINO-2-METHYLPROPANOL, 2-|AMINOMETHYLPROPANOL|AMP Regular|beta-Aminoisobutanol|BRN 0505979|Caswell No. 037|Corrguard 75|EINECS 204-709-8|EPA Pesticide Chemical Code 005801|Hydroxy-tert-butylamine|Isobutanol-2-amine|NSC 441|Pamabron|PROPAN-1-OL, 2-AMINO-2-METHYL-|PROPANOL, 2-AMINO-2-METHYL-|UNII-LU49E6626Q|b-Aminoisobutanol|189832-99-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027032
ERPathway2016 ERPathway2016_1249 2-Amino-2-methylpropan-1-ol 124-68-5 DTXSID8027032 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(N)CO 2-Amino-2-methylpropan-1-ol 124-68-5|2-Amino-2-methylpropan-1-ol|1-PROPANOL, 2-AMINO-2-METHYL|1-Propanol, 2-amino-2-methyl-|1,1-Dimethyl-2-hydroxyethylamine|2-Amino-1-hydroxy-2-methylpropane|2-Amino-2-methyl-1-propanol|2-AMINO-2-METHYL-PROPANOL|2-Amino-2-methylpropanol|2-amino-2-metilpropanol|2-Amino-2,2-dimethylethanol|2-Aminodimethylethanol|2-AMINOISOBUTANOL|2-Hydroxy-1,1-dimethylethylamine|2-Hydroxymethyl-2-propylamine|2-Methyl-2-amino-1-propanol|2-Methyl-2-aminopropanol|2-Methyl-2-aminopropanol-1|2,2-Dimethylethanolamine|AMINO-2-METHYLPROPANOL, 2-|AMINOMETHYLPROPANOL|AMP Regular|beta-Aminoisobutanol|BRN 0505979|Caswell No. 037|Corrguard 75|EINECS 204-709-8|EPA Pesticide Chemical Code 005801|Hydroxy-tert-butylamine|Isobutanol-2-amine|NSC 441|Pamabron|PROPAN-1-OL, 2-AMINO-2-METHYL-|PROPANOL, 2-AMINO-2-METHYL-|UNII-LU49E6626Q|b-Aminoisobutanol|189832-99-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027032
ERPathway2016 ERPathway2016_1249 2-Amino-2-methylpropan-1-ol 124-68-5 DTXSID8027032 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(N)CO 2-Amino-2-methylpropan-1-ol 124-68-5|2-Amino-2-methylpropan-1-ol|1-PROPANOL, 2-AMINO-2-METHYL|1-Propanol, 2-amino-2-methyl-|1,1-Dimethyl-2-hydroxyethylamine|2-Amino-1-hydroxy-2-methylpropane|2-Amino-2-methyl-1-propanol|2-AMINO-2-METHYL-PROPANOL|2-Amino-2-methylpropanol|2-amino-2-metilpropanol|2-Amino-2,2-dimethylethanol|2-Aminodimethylethanol|2-AMINOISOBUTANOL|2-Hydroxy-1,1-dimethylethylamine|2-Hydroxymethyl-2-propylamine|2-Methyl-2-amino-1-propanol|2-Methyl-2-aminopropanol|2-Methyl-2-aminopropanol-1|2,2-Dimethylethanolamine|AMINO-2-METHYLPROPANOL, 2-|AMINOMETHYLPROPANOL|AMP Regular|beta-Aminoisobutanol|BRN 0505979|Caswell No. 037|Corrguard 75|EINECS 204-709-8|EPA Pesticide Chemical Code 005801|Hydroxy-tert-butylamine|Isobutanol-2-amine|NSC 441|Pamabron|PROPAN-1-OL, 2-AMINO-2-METHYL-|PROPANOL, 2-AMINO-2-METHYL-|UNII-LU49E6626Q|b-Aminoisobutanol|189832-99-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027032
ERPathway2016 ERPathway2016_1249 2-Amino-2-methylpropan-1-ol 124-68-5 DTXSID8027032 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(N)CO 2-Amino-2-methylpropan-1-ol 124-68-5|2-Amino-2-methylpropan-1-ol|1-PROPANOL, 2-AMINO-2-METHYL|1-Propanol, 2-amino-2-methyl-|1,1-Dimethyl-2-hydroxyethylamine|2-Amino-1-hydroxy-2-methylpropane|2-Amino-2-methyl-1-propanol|2-AMINO-2-METHYL-PROPANOL|2-Amino-2-methylpropanol|2-amino-2-metilpropanol|2-Amino-2,2-dimethylethanol|2-Aminodimethylethanol|2-AMINOISOBUTANOL|2-Hydroxy-1,1-dimethylethylamine|2-Hydroxymethyl-2-propylamine|2-Methyl-2-amino-1-propanol|2-Methyl-2-aminopropanol|2-Methyl-2-aminopropanol-1|2,2-Dimethylethanolamine|AMINO-2-METHYLPROPANOL, 2-|AMINOMETHYLPROPANOL|AMP Regular|beta-Aminoisobutanol|BRN 0505979|Caswell No. 037|Corrguard 75|EINECS 204-709-8|EPA Pesticide Chemical Code 005801|Hydroxy-tert-butylamine|Isobutanol-2-amine|NSC 441|Pamabron|PROPAN-1-OL, 2-AMINO-2-METHYL-|PROPANOL, 2-AMINO-2-METHYL-|UNII-LU49E6626Q|b-Aminoisobutanol|189832-99-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027032
ARPathway2016 ARPathway2016_28 2-Aminoanthraquinone 117-79-3 DTXSID6020068 1.0 A2 AR Pathway Model, Agonist AC50 28.8228940736236 uM NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1 2-Aminoanthraquinone 117-79-3|2-Aminoanthraquinone|2-Amino-9,10-anthraquinone|9,10-Anthracenedione, 2-amino-|Aminoanthraquinone|beta-Anthraquinonylamine|EINECS 204-208-4|NCI-C01876|NSC 5|UNII-65Z03V2Z09 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020068 https://doi.org/10.22427/NTP-DATA-DTXSID6020068
ARPathway2016 ARPathway2016_28 2-Aminoanthraquinone 117-79-3 DTXSID6020068 1.0 A2 AR Pathway Model, Agonist ACC 36.88145439 uM NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1 2-Aminoanthraquinone 117-79-3|2-Aminoanthraquinone|2-Amino-9,10-anthraquinone|9,10-Anthracenedione, 2-amino-|Aminoanthraquinone|beta-Anthraquinonylamine|EINECS 204-208-4|NCI-C01876|NSC 5|UNII-65Z03V2Z09 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020068 https://doi.org/10.22427/NTP-DATA-DTXSID6020068
ARPathway2016 ARPathway2016_28 2-Aminoanthraquinone 117-79-3 DTXSID6020068 1.0 A2 AR Pathway Model, Antagonist Model Score 0.0202 Unitless NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1 2-Aminoanthraquinone 117-79-3|2-Aminoanthraquinone|2-Amino-9,10-anthraquinone|9,10-Anthracenedione, 2-amino-|Aminoanthraquinone|beta-Anthraquinonylamine|EINECS 204-208-4|NCI-C01876|NSC 5|UNII-65Z03V2Z09 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020068 https://doi.org/10.22427/NTP-DATA-DTXSID6020068
ARPathway2016 ARPathway2016_28 2-Aminoanthraquinone 117-79-3 DTXSID6020068 1.0 A2 AR Pathway Model, Agonist Model Score 0.00992 Unitless NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1 2-Aminoanthraquinone 117-79-3|2-Aminoanthraquinone|2-Amino-9,10-anthraquinone|9,10-Anthracenedione, 2-amino-|Aminoanthraquinone|beta-Anthraquinonylamine|EINECS 204-208-4|NCI-C01876|NSC 5|UNII-65Z03V2Z09 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020068 https://doi.org/10.22427/NTP-DATA-DTXSID6020068
ARPathway2016 ARPathway2016_28 2-Aminoanthraquinone 117-79-3 DTXSID6020068 1.0 A2 AR Pathway Model, Agonist Call Active Unitless NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1 2-Aminoanthraquinone 117-79-3|2-Aminoanthraquinone|2-Amino-9,10-anthraquinone|9,10-Anthracenedione, 2-amino-|Aminoanthraquinone|beta-Anthraquinonylamine|EINECS 204-208-4|NCI-C01876|NSC 5|UNII-65Z03V2Z09 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020068 https://doi.org/10.22427/NTP-DATA-DTXSID6020068
ARPathway2016 ARPathway2016_28 2-Aminoanthraquinone 117-79-3 DTXSID6020068 1.0 A2 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1 2-Aminoanthraquinone 117-79-3|2-Aminoanthraquinone|2-Amino-9,10-anthraquinone|9,10-Anthracenedione, 2-amino-|Aminoanthraquinone|beta-Anthraquinonylamine|EINECS 204-208-4|NCI-C01876|NSC 5|UNII-65Z03V2Z09 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020068 https://doi.org/10.22427/NTP-DATA-DTXSID6020068
ERPathway2016 ERPathway2016_284 2-Aminoanthraquinone 117-79-3 DTXSID6020068 R6 ER Pathway Model, Antagonist AC50 6.59042850607268 uM NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1 2-Aminoanthraquinone 117-79-3|2-Aminoanthraquinone|2-Amino-9,10-anthraquinone|9,10-Anthracenedione, 2-amino-|Aminoanthraquinone|beta-Anthraquinonylamine|EINECS 204-208-4|NCI-C01876|NSC 5|UNII-65Z03V2Z09 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020068 https://doi.org/10.22427/NTP-DATA-DTXSID6020068
ERPathway2016 ERPathway2016_284 2-Aminoanthraquinone 117-79-3 DTXSID6020068 R6 ER Pathway Model, Antagonist ACC 3.92199576231068 uM NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1 2-Aminoanthraquinone 117-79-3|2-Aminoanthraquinone|2-Amino-9,10-anthraquinone|9,10-Anthracenedione, 2-amino-|Aminoanthraquinone|beta-Anthraquinonylamine|EINECS 204-208-4|NCI-C01876|NSC 5|UNII-65Z03V2Z09 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020068 https://doi.org/10.22427/NTP-DATA-DTXSID6020068
ERPathway2016 ERPathway2016_284 2-Aminoanthraquinone 117-79-3 DTXSID6020068 R6 ER Pathway Model, Agonist Model Score 0.0453 Unitless NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1 2-Aminoanthraquinone 117-79-3|2-Aminoanthraquinone|2-Amino-9,10-anthraquinone|9,10-Anthracenedione, 2-amino-|Aminoanthraquinone|beta-Anthraquinonylamine|EINECS 204-208-4|NCI-C01876|NSC 5|UNII-65Z03V2Z09 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020068 https://doi.org/10.22427/NTP-DATA-DTXSID6020068
ERPathway2016 ERPathway2016_284 2-Aminoanthraquinone 117-79-3 DTXSID6020068 R6 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1 2-Aminoanthraquinone 117-79-3|2-Aminoanthraquinone|2-Amino-9,10-anthraquinone|9,10-Anthracenedione, 2-amino-|Aminoanthraquinone|beta-Anthraquinonylamine|EINECS 204-208-4|NCI-C01876|NSC 5|UNII-65Z03V2Z09 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020068 https://doi.org/10.22427/NTP-DATA-DTXSID6020068
ERPathway2016 ERPathway2016_284 2-Aminoanthraquinone 117-79-3 DTXSID6020068 R6 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1 2-Aminoanthraquinone 117-79-3|2-Aminoanthraquinone|2-Amino-9,10-anthraquinone|9,10-Anthracenedione, 2-amino-|Aminoanthraquinone|beta-Anthraquinonylamine|EINECS 204-208-4|NCI-C01876|NSC 5|UNII-65Z03V2Z09 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020068 https://doi.org/10.22427/NTP-DATA-DTXSID6020068
ERPathway2016 ERPathway2016_284 2-Aminoanthraquinone 117-79-3 DTXSID6020068 R6 ER Pathway Model, Antagonist Call Active Unitless NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1 2-Aminoanthraquinone 117-79-3|2-Aminoanthraquinone|2-Amino-9,10-anthraquinone|9,10-Anthracenedione, 2-amino-|Aminoanthraquinone|beta-Anthraquinonylamine|EINECS 204-208-4|NCI-C01876|NSC 5|UNII-65Z03V2Z09 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020068 https://doi.org/10.22427/NTP-DATA-DTXSID6020068
ARPathway2016 ARPathway2016_1695 2-Anisidine 90-04-0 DTXSID5023877 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=CC=C1N 2-Anisidine 90-04-0|2-Anisidine|1-Amino-2-methoxybenzene|2-Aminoanisole|2-Aminomethoxybenzene|2-Methoxy-1-aminobenzene|2-Methoxy-benzeneamine|2-Methoxyaniline|2-Methoxybenzenamine|2-Methoxyphenylamine|4-13-00-00806|Benzenamine, 2-methoxy-|BRN 0386210|EINECS 201-963-1|NSC 3122|o-Aminoanisole|o-Aminomethoxybenzene|o-Anisidin|o-anisidina|o-Anisidine|o-Anisylamine|o-Methoxyaniline|o-Methoxyphenylamine|OC 56631|OC 56631 (2-methoxyaniline)|ortho-Aminoanisole|ortho-Anisidine|ortho-Methoxyaniline|ortho-Methoxyphenylamine|UNII-NUX042F201 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023877 https://doi.org/10.22427/NTP-DATA-DTXSID5023877
ARPathway2016 ARPathway2016_1695 2-Anisidine 90-04-0 DTXSID5023877 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC=CC=C1N 2-Anisidine 90-04-0|2-Anisidine|1-Amino-2-methoxybenzene|2-Aminoanisole|2-Aminomethoxybenzene|2-Methoxy-1-aminobenzene|2-Methoxy-benzeneamine|2-Methoxyaniline|2-Methoxybenzenamine|2-Methoxyphenylamine|4-13-00-00806|Benzenamine, 2-methoxy-|BRN 0386210|EINECS 201-963-1|NSC 3122|o-Aminoanisole|o-Aminomethoxybenzene|o-Anisidin|o-anisidina|o-Anisidine|o-Anisylamine|o-Methoxyaniline|o-Methoxyphenylamine|OC 56631|OC 56631 (2-methoxyaniline)|ortho-Aminoanisole|ortho-Anisidine|ortho-Methoxyaniline|ortho-Methoxyphenylamine|UNII-NUX042F201 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023877 https://doi.org/10.22427/NTP-DATA-DTXSID5023877
ARPathway2016 ARPathway2016_1695 2-Anisidine 90-04-0 DTXSID5023877 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC=CC=C1N 2-Anisidine 90-04-0|2-Anisidine|1-Amino-2-methoxybenzene|2-Aminoanisole|2-Aminomethoxybenzene|2-Methoxy-1-aminobenzene|2-Methoxy-benzeneamine|2-Methoxyaniline|2-Methoxybenzenamine|2-Methoxyphenylamine|4-13-00-00806|Benzenamine, 2-methoxy-|BRN 0386210|EINECS 201-963-1|NSC 3122|o-Aminoanisole|o-Aminomethoxybenzene|o-Anisidin|o-anisidina|o-Anisidine|o-Anisylamine|o-Methoxyaniline|o-Methoxyphenylamine|OC 56631|OC 56631 (2-methoxyaniline)|ortho-Aminoanisole|ortho-Anisidine|ortho-Methoxyaniline|ortho-Methoxyphenylamine|UNII-NUX042F201 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023877 https://doi.org/10.22427/NTP-DATA-DTXSID5023877
ARPathway2016 ARPathway2016_1695 2-Anisidine 90-04-0 DTXSID5023877 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC=CC=C1N 2-Anisidine 90-04-0|2-Anisidine|1-Amino-2-methoxybenzene|2-Aminoanisole|2-Aminomethoxybenzene|2-Methoxy-1-aminobenzene|2-Methoxy-benzeneamine|2-Methoxyaniline|2-Methoxybenzenamine|2-Methoxyphenylamine|4-13-00-00806|Benzenamine, 2-methoxy-|BRN 0386210|EINECS 201-963-1|NSC 3122|o-Aminoanisole|o-Aminomethoxybenzene|o-Anisidin|o-anisidina|o-Anisidine|o-Anisylamine|o-Methoxyaniline|o-Methoxyphenylamine|OC 56631|OC 56631 (2-methoxyaniline)|ortho-Aminoanisole|ortho-Anisidine|ortho-Methoxyaniline|ortho-Methoxyphenylamine|UNII-NUX042F201 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023877 https://doi.org/10.22427/NTP-DATA-DTXSID5023877
ERPathway2016 ERPathway2016_1730 2-Anisidine 90-04-0 DTXSID5023877 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC=CC=C1N 2-Anisidine 90-04-0|2-Anisidine|1-Amino-2-methoxybenzene|2-Aminoanisole|2-Aminomethoxybenzene|2-Methoxy-1-aminobenzene|2-Methoxy-benzeneamine|2-Methoxyaniline|2-Methoxybenzenamine|2-Methoxyphenylamine|4-13-00-00806|Benzenamine, 2-methoxy-|BRN 0386210|EINECS 201-963-1|NSC 3122|o-Aminoanisole|o-Aminomethoxybenzene|o-Anisidin|o-anisidina|o-Anisidine|o-Anisylamine|o-Methoxyaniline|o-Methoxyphenylamine|OC 56631|OC 56631 (2-methoxyaniline)|ortho-Aminoanisole|ortho-Anisidine|ortho-Methoxyaniline|ortho-Methoxyphenylamine|UNII-NUX042F201 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023877 https://doi.org/10.22427/NTP-DATA-DTXSID5023877
ERPathway2016 ERPathway2016_1730 2-Anisidine 90-04-0 DTXSID5023877 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=CC=C1N 2-Anisidine 90-04-0|2-Anisidine|1-Amino-2-methoxybenzene|2-Aminoanisole|2-Aminomethoxybenzene|2-Methoxy-1-aminobenzene|2-Methoxy-benzeneamine|2-Methoxyaniline|2-Methoxybenzenamine|2-Methoxyphenylamine|4-13-00-00806|Benzenamine, 2-methoxy-|BRN 0386210|EINECS 201-963-1|NSC 3122|o-Aminoanisole|o-Aminomethoxybenzene|o-Anisidin|o-anisidina|o-Anisidine|o-Anisylamine|o-Methoxyaniline|o-Methoxyphenylamine|OC 56631|OC 56631 (2-methoxyaniline)|ortho-Aminoanisole|ortho-Anisidine|ortho-Methoxyaniline|ortho-Methoxyphenylamine|UNII-NUX042F201 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023877 https://doi.org/10.22427/NTP-DATA-DTXSID5023877
ERPathway2016 ERPathway2016_1730 2-Anisidine 90-04-0 DTXSID5023877 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC=CC=C1N 2-Anisidine 90-04-0|2-Anisidine|1-Amino-2-methoxybenzene|2-Aminoanisole|2-Aminomethoxybenzene|2-Methoxy-1-aminobenzene|2-Methoxy-benzeneamine|2-Methoxyaniline|2-Methoxybenzenamine|2-Methoxyphenylamine|4-13-00-00806|Benzenamine, 2-methoxy-|BRN 0386210|EINECS 201-963-1|NSC 3122|o-Aminoanisole|o-Aminomethoxybenzene|o-Anisidin|o-anisidina|o-Anisidine|o-Anisylamine|o-Methoxyaniline|o-Methoxyphenylamine|OC 56631|OC 56631 (2-methoxyaniline)|ortho-Aminoanisole|ortho-Anisidine|ortho-Methoxyaniline|ortho-Methoxyphenylamine|UNII-NUX042F201 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023877 https://doi.org/10.22427/NTP-DATA-DTXSID5023877
ERPathway2016 ERPathway2016_1730 2-Anisidine 90-04-0 DTXSID5023877 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC=CC=C1N 2-Anisidine 90-04-0|2-Anisidine|1-Amino-2-methoxybenzene|2-Aminoanisole|2-Aminomethoxybenzene|2-Methoxy-1-aminobenzene|2-Methoxy-benzeneamine|2-Methoxyaniline|2-Methoxybenzenamine|2-Methoxyphenylamine|4-13-00-00806|Benzenamine, 2-methoxy-|BRN 0386210|EINECS 201-963-1|NSC 3122|o-Aminoanisole|o-Aminomethoxybenzene|o-Anisidin|o-anisidina|o-Anisidine|o-Anisylamine|o-Methoxyaniline|o-Methoxyphenylamine|OC 56631|OC 56631 (2-methoxyaniline)|ortho-Aminoanisole|ortho-Anisidine|ortho-Methoxyaniline|ortho-Methoxyphenylamine|UNII-NUX042F201 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023877 https://doi.org/10.22427/NTP-DATA-DTXSID5023877
ARPathway2016 ARPathway2016_1043 2-Bromo-4-hydroxyacetophenone 2491-38-5 DTXSID4034576 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)C(=O)CBr 2-Bromo-4-hydroxyacetophenone 2491-38-5|2-Bromo-4-hydroxyacetophenone|2-Bromo-1-(4-hydroxyphenyl)ethanone|2-Bromo-4'-hydroxyacetophenone|4-08-00-00351|BRN 1865388|Caswell No. 115|EINECS 219-655-0|EPA Pesticide Chemical Code 008707|UNII-6H0QU4I6BA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034576
ARPathway2016 ARPathway2016_1043 2-Bromo-4-hydroxyacetophenone 2491-38-5 DTXSID4034576 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=C(C=C1)C(=O)CBr 2-Bromo-4-hydroxyacetophenone 2491-38-5|2-Bromo-4-hydroxyacetophenone|2-Bromo-1-(4-hydroxyphenyl)ethanone|2-Bromo-4'-hydroxyacetophenone|4-08-00-00351|BRN 1865388|Caswell No. 115|EINECS 219-655-0|EPA Pesticide Chemical Code 008707|UNII-6H0QU4I6BA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034576
ARPathway2016 ARPathway2016_1043 2-Bromo-4-hydroxyacetophenone 2491-38-5 DTXSID4034576 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)C(=O)CBr 2-Bromo-4-hydroxyacetophenone 2491-38-5|2-Bromo-4-hydroxyacetophenone|2-Bromo-1-(4-hydroxyphenyl)ethanone|2-Bromo-4'-hydroxyacetophenone|4-08-00-00351|BRN 1865388|Caswell No. 115|EINECS 219-655-0|EPA Pesticide Chemical Code 008707|UNII-6H0QU4I6BA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034576
ARPathway2016 ARPathway2016_1043 2-Bromo-4-hydroxyacetophenone 2491-38-5 DTXSID4034576 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(C=C1)C(=O)CBr 2-Bromo-4-hydroxyacetophenone 2491-38-5|2-Bromo-4-hydroxyacetophenone|2-Bromo-1-(4-hydroxyphenyl)ethanone|2-Bromo-4'-hydroxyacetophenone|4-08-00-00351|BRN 1865388|Caswell No. 115|EINECS 219-655-0|EPA Pesticide Chemical Code 008707|UNII-6H0QU4I6BA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034576
ERPathway2016 ERPathway2016_360 2-Bromo-4-hydroxyacetophenone 2491-38-5 DTXSID4034576 ER Pathway Model, Antagonist AC50 42.411741671058 uM OC1=CC=C(C=C1)C(=O)CBr 2-Bromo-4-hydroxyacetophenone 2491-38-5|2-Bromo-4-hydroxyacetophenone|2-Bromo-1-(4-hydroxyphenyl)ethanone|2-Bromo-4'-hydroxyacetophenone|4-08-00-00351|BRN 1865388|Caswell No. 115|EINECS 219-655-0|EPA Pesticide Chemical Code 008707|UNII-6H0QU4I6BA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034576
ERPathway2016 ERPathway2016_360 2-Bromo-4-hydroxyacetophenone 2491-38-5 DTXSID4034576 ER Pathway Model, Antagonist ACC 16.827193186242 uM OC1=CC=C(C=C1)C(=O)CBr 2-Bromo-4-hydroxyacetophenone 2491-38-5|2-Bromo-4-hydroxyacetophenone|2-Bromo-1-(4-hydroxyphenyl)ethanone|2-Bromo-4'-hydroxyacetophenone|4-08-00-00351|BRN 1865388|Caswell No. 115|EINECS 219-655-0|EPA Pesticide Chemical Code 008707|UNII-6H0QU4I6BA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034576
ERPathway2016 ERPathway2016_360 2-Bromo-4-hydroxyacetophenone 2491-38-5 DTXSID4034576 ER Pathway Model, Agonist Model Score 0.0164 Unitless OC1=CC=C(C=C1)C(=O)CBr 2-Bromo-4-hydroxyacetophenone 2491-38-5|2-Bromo-4-hydroxyacetophenone|2-Bromo-1-(4-hydroxyphenyl)ethanone|2-Bromo-4'-hydroxyacetophenone|4-08-00-00351|BRN 1865388|Caswell No. 115|EINECS 219-655-0|EPA Pesticide Chemical Code 008707|UNII-6H0QU4I6BA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034576
ERPathway2016 ERPathway2016_360 2-Bromo-4-hydroxyacetophenone 2491-38-5 DTXSID4034576 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)C(=O)CBr 2-Bromo-4-hydroxyacetophenone 2491-38-5|2-Bromo-4-hydroxyacetophenone|2-Bromo-1-(4-hydroxyphenyl)ethanone|2-Bromo-4'-hydroxyacetophenone|4-08-00-00351|BRN 1865388|Caswell No. 115|EINECS 219-655-0|EPA Pesticide Chemical Code 008707|UNII-6H0QU4I6BA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034576
ERPathway2016 ERPathway2016_360 2-Bromo-4-hydroxyacetophenone 2491-38-5 DTXSID4034576 ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)C(=O)CBr 2-Bromo-4-hydroxyacetophenone 2491-38-5|2-Bromo-4-hydroxyacetophenone|2-Bromo-1-(4-hydroxyphenyl)ethanone|2-Bromo-4'-hydroxyacetophenone|4-08-00-00351|BRN 1865388|Caswell No. 115|EINECS 219-655-0|EPA Pesticide Chemical Code 008707|UNII-6H0QU4I6BA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034576
ERPathway2016 ERPathway2016_360 2-Bromo-4-hydroxyacetophenone 2491-38-5 DTXSID4034576 ER Pathway Model, Antagonist Call Active Unitless OC1=CC=C(C=C1)C(=O)CBr 2-Bromo-4-hydroxyacetophenone 2491-38-5|2-Bromo-4-hydroxyacetophenone|2-Bromo-1-(4-hydroxyphenyl)ethanone|2-Bromo-4'-hydroxyacetophenone|4-08-00-00351|BRN 1865388|Caswell No. 115|EINECS 219-655-0|EPA Pesticide Chemical Code 008707|UNII-6H0QU4I6BA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034576
ARPathway2016 ARPathway2016_1781 2-Butanone oxime 96-29-7 DTXSID1021821 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(C)=NO 2-Butanone oxime 96-29-7|2-Butanone oxime|2-BUTANON-OXIM|2-Butanone, oxime|2-Butanonoxime|202-496-6|4-01-00-03250|BRN 1698241|Butan-2-one oxime|butanona-oxima|butanone oxime|Butanone-oxime|Butanonoxim|EC No.: 202-496-6|EINECS 202-496-6|Ethyl methyl ketone oxime|Ethyl methyl ketoxime|Ethyl-methylketonoxim|Exkin II|MEK-oxime|METHYL ETHYL KETONE OXIME|Methyl ethyl ketoxime|N-(2-Butanylidene)hydroxylamine|NSC 442|NSC 65465|Oxime 2-butanone|Troykyd anti-skin B|Troykyd AntiSkin B|UNII-51YGE935U9|USAF EK-906|105287-28-3|2115045-28-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021821 https://doi.org/10.22427/NTP-DATA-DTXSID1021821
ARPathway2016 ARPathway2016_1781 2-Butanone oxime 96-29-7 DTXSID1021821 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)=NO 2-Butanone oxime 96-29-7|2-Butanone oxime|2-BUTANON-OXIM|2-Butanone, oxime|2-Butanonoxime|202-496-6|4-01-00-03250|BRN 1698241|Butan-2-one oxime|butanona-oxima|butanone oxime|Butanone-oxime|Butanonoxim|EC No.: 202-496-6|EINECS 202-496-6|Ethyl methyl ketone oxime|Ethyl methyl ketoxime|Ethyl-methylketonoxim|Exkin II|MEK-oxime|METHYL ETHYL KETONE OXIME|Methyl ethyl ketoxime|N-(2-Butanylidene)hydroxylamine|NSC 442|NSC 65465|Oxime 2-butanone|Troykyd anti-skin B|Troykyd AntiSkin B|UNII-51YGE935U9|USAF EK-906|105287-28-3|2115045-28-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021821 https://doi.org/10.22427/NTP-DATA-DTXSID1021821
ARPathway2016 ARPathway2016_1781 2-Butanone oxime 96-29-7 DTXSID1021821 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC(C)=NO 2-Butanone oxime 96-29-7|2-Butanone oxime|2-BUTANON-OXIM|2-Butanone, oxime|2-Butanonoxime|202-496-6|4-01-00-03250|BRN 1698241|Butan-2-one oxime|butanona-oxima|butanone oxime|Butanone-oxime|Butanonoxim|EC No.: 202-496-6|EINECS 202-496-6|Ethyl methyl ketone oxime|Ethyl methyl ketoxime|Ethyl-methylketonoxim|Exkin II|MEK-oxime|METHYL ETHYL KETONE OXIME|Methyl ethyl ketoxime|N-(2-Butanylidene)hydroxylamine|NSC 442|NSC 65465|Oxime 2-butanone|Troykyd anti-skin B|Troykyd AntiSkin B|UNII-51YGE935U9|USAF EK-906|105287-28-3|2115045-28-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021821 https://doi.org/10.22427/NTP-DATA-DTXSID1021821
ARPathway2016 ARPathway2016_1781 2-Butanone oxime 96-29-7 DTXSID1021821 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)=NO 2-Butanone oxime 96-29-7|2-Butanone oxime|2-BUTANON-OXIM|2-Butanone, oxime|2-Butanonoxime|202-496-6|4-01-00-03250|BRN 1698241|Butan-2-one oxime|butanona-oxima|butanone oxime|Butanone-oxime|Butanonoxim|EC No.: 202-496-6|EINECS 202-496-6|Ethyl methyl ketone oxime|Ethyl methyl ketoxime|Ethyl-methylketonoxim|Exkin II|MEK-oxime|METHYL ETHYL KETONE OXIME|Methyl ethyl ketoxime|N-(2-Butanylidene)hydroxylamine|NSC 442|NSC 65465|Oxime 2-butanone|Troykyd anti-skin B|Troykyd AntiSkin B|UNII-51YGE935U9|USAF EK-906|105287-28-3|2115045-28-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021821 https://doi.org/10.22427/NTP-DATA-DTXSID1021821
ERPathway2016 ERPathway2016_1779 2-Butanone oxime 96-29-7 DTXSID1021821 ER Pathway Model, Agonist Model Score 0 Unitless CCC(C)=NO 2-Butanone oxime 96-29-7|2-Butanone oxime|2-BUTANON-OXIM|2-Butanone, oxime|2-Butanonoxime|202-496-6|4-01-00-03250|BRN 1698241|Butan-2-one oxime|butanona-oxima|butanone oxime|Butanone-oxime|Butanonoxim|EC No.: 202-496-6|EINECS 202-496-6|Ethyl methyl ketone oxime|Ethyl methyl ketoxime|Ethyl-methylketonoxim|Exkin II|MEK-oxime|METHYL ETHYL KETONE OXIME|Methyl ethyl ketoxime|N-(2-Butanylidene)hydroxylamine|NSC 442|NSC 65465|Oxime 2-butanone|Troykyd anti-skin B|Troykyd AntiSkin B|UNII-51YGE935U9|USAF EK-906|105287-28-3|2115045-28-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021821 https://doi.org/10.22427/NTP-DATA-DTXSID1021821
ERPathway2016 ERPathway2016_1779 2-Butanone oxime 96-29-7 DTXSID1021821 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)=NO 2-Butanone oxime 96-29-7|2-Butanone oxime|2-BUTANON-OXIM|2-Butanone, oxime|2-Butanonoxime|202-496-6|4-01-00-03250|BRN 1698241|Butan-2-one oxime|butanona-oxima|butanone oxime|Butanone-oxime|Butanonoxim|EC No.: 202-496-6|EINECS 202-496-6|Ethyl methyl ketone oxime|Ethyl methyl ketoxime|Ethyl-methylketonoxim|Exkin II|MEK-oxime|METHYL ETHYL KETONE OXIME|Methyl ethyl ketoxime|N-(2-Butanylidene)hydroxylamine|NSC 442|NSC 65465|Oxime 2-butanone|Troykyd anti-skin B|Troykyd AntiSkin B|UNII-51YGE935U9|USAF EK-906|105287-28-3|2115045-28-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021821 https://doi.org/10.22427/NTP-DATA-DTXSID1021821
ERPathway2016 ERPathway2016_1779 2-Butanone oxime 96-29-7 DTXSID1021821 ER Pathway Model, Agonist Call Inactive Unitless CCC(C)=NO 2-Butanone oxime 96-29-7|2-Butanone oxime|2-BUTANON-OXIM|2-Butanone, oxime|2-Butanonoxime|202-496-6|4-01-00-03250|BRN 1698241|Butan-2-one oxime|butanona-oxima|butanone oxime|Butanone-oxime|Butanonoxim|EC No.: 202-496-6|EINECS 202-496-6|Ethyl methyl ketone oxime|Ethyl methyl ketoxime|Ethyl-methylketonoxim|Exkin II|MEK-oxime|METHYL ETHYL KETONE OXIME|Methyl ethyl ketoxime|N-(2-Butanylidene)hydroxylamine|NSC 442|NSC 65465|Oxime 2-butanone|Troykyd anti-skin B|Troykyd AntiSkin B|UNII-51YGE935U9|USAF EK-906|105287-28-3|2115045-28-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021821 https://doi.org/10.22427/NTP-DATA-DTXSID1021821
ERPathway2016 ERPathway2016_1779 2-Butanone oxime 96-29-7 DTXSID1021821 ER Pathway Model, Antagonist Call Inactive Unitless CCC(C)=NO 2-Butanone oxime 96-29-7|2-Butanone oxime|2-BUTANON-OXIM|2-Butanone, oxime|2-Butanonoxime|202-496-6|4-01-00-03250|BRN 1698241|Butan-2-one oxime|butanona-oxima|butanone oxime|Butanone-oxime|Butanonoxim|EC No.: 202-496-6|EINECS 202-496-6|Ethyl methyl ketone oxime|Ethyl methyl ketoxime|Ethyl-methylketonoxim|Exkin II|MEK-oxime|METHYL ETHYL KETONE OXIME|Methyl ethyl ketoxime|N-(2-Butanylidene)hydroxylamine|NSC 442|NSC 65465|Oxime 2-butanone|Troykyd anti-skin B|Troykyd AntiSkin B|UNII-51YGE935U9|USAF EK-906|105287-28-3|2115045-28-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021821 https://doi.org/10.22427/NTP-DATA-DTXSID1021821
ARPathway2016 ARPathway2016_577 2-Butoxyethanol 111-76-2 DTXSID1024097 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOCCO 2-Butoxyethanol 111-76-2|2-Butoxyethanol|2-Butossi-etanolo|2-butoxietanol|2-BUTOXY ETHANOL (ETHYLENE GLYCOL MONOBUTYL ETHER)|2-Butoxy-1-ethanol|2-Butoxy-aethanol|2-Butoxy-aethanol(GERMAN)|2-Butoxy-Ethanol|2-Butoxyethan-1-ol|2-Butoxyethanol|2-Butoxyethanol (butyl cellosolve)|2-Butoxyethanol (ethylene glycol monobutyl ether)|2-butoxyethanol m|2-hydroxyethyl n-butyl ether|2-N-Butoxy-1-ethanol|2-n-Butoxyethanol|3-Oxa-1-heptanol|AETHYLENGLYKOL-MONOBUTYLAETHER|beta-Butoxyethanol|Bikanol B 1|BRN 1732511|Buchiseru|BUCS|BuOCH2CH2OH|Butoksyetylowy alkohol|Butoxyethanol|Butyglycol|Butyl 2-hydroxyethyl ether|Butyl Cellosolve|Butyl Cellu-Sol|BUTYL GLYCOL|Butyl Glysolv|Butyl icinol|Butyl monoether glycol|Butyl Oxitol|Butylcellosolve|Butylcelosolv|Butylglycol|Butyloxitol|Caswell No. 121|Chimec NR|DB solvent|Dowanol EB|Eastman EB|Eb solvent|EGBE|Egmbe|EINECS 203-905-0|Ek tasolve eb solvent|Ektasolve EB|Ektasolve eb solvent|EPA Pesticide Chemical Code 011501|Eter monobutilico del etilenglicol|Ethanol, 2-butoxy-|Ether alcohol|Ether monobutylique de L'ethyleneglycol|E|107461-82-5|161279-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024097 https://doi.org/10.22427/NTP-DATA-DTXSID1024097
ARPathway2016 ARPathway2016_577 2-Butoxyethanol 111-76-2 DTXSID1024097 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOCCO 2-Butoxyethanol 111-76-2|2-Butoxyethanol|2-Butossi-etanolo|2-butoxietanol|2-BUTOXY ETHANOL (ETHYLENE GLYCOL MONOBUTYL ETHER)|2-Butoxy-1-ethanol|2-Butoxy-aethanol|2-Butoxy-aethanol(GERMAN)|2-Butoxy-Ethanol|2-Butoxyethan-1-ol|2-Butoxyethanol|2-Butoxyethanol (butyl cellosolve)|2-Butoxyethanol (ethylene glycol monobutyl ether)|2-butoxyethanol m|2-hydroxyethyl n-butyl ether|2-N-Butoxy-1-ethanol|2-n-Butoxyethanol|3-Oxa-1-heptanol|AETHYLENGLYKOL-MONOBUTYLAETHER|beta-Butoxyethanol|Bikanol B 1|BRN 1732511|Buchiseru|BUCS|BuOCH2CH2OH|Butoksyetylowy alkohol|Butoxyethanol|Butyglycol|Butyl 2-hydroxyethyl ether|Butyl Cellosolve|Butyl Cellu-Sol|BUTYL GLYCOL|Butyl Glysolv|Butyl icinol|Butyl monoether glycol|Butyl Oxitol|Butylcellosolve|Butylcelosolv|Butylglycol|Butyloxitol|Caswell No. 121|Chimec NR|DB solvent|Dowanol EB|Eastman EB|Eb solvent|EGBE|Egmbe|EINECS 203-905-0|Ek tasolve eb solvent|Ektasolve EB|Ektasolve eb solvent|EPA Pesticide Chemical Code 011501|Eter monobutilico del etilenglicol|Ethanol, 2-butoxy-|Ether alcohol|Ether monobutylique de L'ethyleneglycol|E|107461-82-5|161279-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024097 https://doi.org/10.22427/NTP-DATA-DTXSID1024097
ARPathway2016 ARPathway2016_577 2-Butoxyethanol 111-76-2 DTXSID1024097 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOCCO 2-Butoxyethanol 111-76-2|2-Butoxyethanol|2-Butossi-etanolo|2-butoxietanol|2-BUTOXY ETHANOL (ETHYLENE GLYCOL MONOBUTYL ETHER)|2-Butoxy-1-ethanol|2-Butoxy-aethanol|2-Butoxy-aethanol(GERMAN)|2-Butoxy-Ethanol|2-Butoxyethan-1-ol|2-Butoxyethanol|2-Butoxyethanol (butyl cellosolve)|2-Butoxyethanol (ethylene glycol monobutyl ether)|2-butoxyethanol m|2-hydroxyethyl n-butyl ether|2-N-Butoxy-1-ethanol|2-n-Butoxyethanol|3-Oxa-1-heptanol|AETHYLENGLYKOL-MONOBUTYLAETHER|beta-Butoxyethanol|Bikanol B 1|BRN 1732511|Buchiseru|BUCS|BuOCH2CH2OH|Butoksyetylowy alkohol|Butoxyethanol|Butyglycol|Butyl 2-hydroxyethyl ether|Butyl Cellosolve|Butyl Cellu-Sol|BUTYL GLYCOL|Butyl Glysolv|Butyl icinol|Butyl monoether glycol|Butyl Oxitol|Butylcellosolve|Butylcelosolv|Butylglycol|Butyloxitol|Caswell No. 121|Chimec NR|DB solvent|Dowanol EB|Eastman EB|Eb solvent|EGBE|Egmbe|EINECS 203-905-0|Ek tasolve eb solvent|Ektasolve EB|Ektasolve eb solvent|EPA Pesticide Chemical Code 011501|Eter monobutilico del etilenglicol|Ethanol, 2-butoxy-|Ether alcohol|Ether monobutylique de L'ethyleneglycol|E|107461-82-5|161279-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024097 https://doi.org/10.22427/NTP-DATA-DTXSID1024097
ARPathway2016 ARPathway2016_577 2-Butoxyethanol 111-76-2 DTXSID1024097 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOCCO 2-Butoxyethanol 111-76-2|2-Butoxyethanol|2-Butossi-etanolo|2-butoxietanol|2-BUTOXY ETHANOL (ETHYLENE GLYCOL MONOBUTYL ETHER)|2-Butoxy-1-ethanol|2-Butoxy-aethanol|2-Butoxy-aethanol(GERMAN)|2-Butoxy-Ethanol|2-Butoxyethan-1-ol|2-Butoxyethanol|2-Butoxyethanol (butyl cellosolve)|2-Butoxyethanol (ethylene glycol monobutyl ether)|2-butoxyethanol m|2-hydroxyethyl n-butyl ether|2-N-Butoxy-1-ethanol|2-n-Butoxyethanol|3-Oxa-1-heptanol|AETHYLENGLYKOL-MONOBUTYLAETHER|beta-Butoxyethanol|Bikanol B 1|BRN 1732511|Buchiseru|BUCS|BuOCH2CH2OH|Butoksyetylowy alkohol|Butoxyethanol|Butyglycol|Butyl 2-hydroxyethyl ether|Butyl Cellosolve|Butyl Cellu-Sol|BUTYL GLYCOL|Butyl Glysolv|Butyl icinol|Butyl monoether glycol|Butyl Oxitol|Butylcellosolve|Butylcelosolv|Butylglycol|Butyloxitol|Caswell No. 121|Chimec NR|DB solvent|Dowanol EB|Eastman EB|Eb solvent|EGBE|Egmbe|EINECS 203-905-0|Ek tasolve eb solvent|Ektasolve EB|Ektasolve eb solvent|EPA Pesticide Chemical Code 011501|Eter monobutilico del etilenglicol|Ethanol, 2-butoxy-|Ether alcohol|Ether monobutylique de L'ethyleneglycol|E|107461-82-5|161279-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024097 https://doi.org/10.22427/NTP-DATA-DTXSID1024097
ERPathway2016 ERPathway2016_1038 2-Butoxyethanol 111-76-2 DTXSID1024097 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOCCO 2-Butoxyethanol 111-76-2|2-Butoxyethanol|2-Butossi-etanolo|2-butoxietanol|2-BUTOXY ETHANOL (ETHYLENE GLYCOL MONOBUTYL ETHER)|2-Butoxy-1-ethanol|2-Butoxy-aethanol|2-Butoxy-aethanol(GERMAN)|2-Butoxy-Ethanol|2-Butoxyethan-1-ol|2-Butoxyethanol|2-Butoxyethanol (butyl cellosolve)|2-Butoxyethanol (ethylene glycol monobutyl ether)|2-butoxyethanol m|2-hydroxyethyl n-butyl ether|2-N-Butoxy-1-ethanol|2-n-Butoxyethanol|3-Oxa-1-heptanol|AETHYLENGLYKOL-MONOBUTYLAETHER|beta-Butoxyethanol|Bikanol B 1|BRN 1732511|Buchiseru|BUCS|BuOCH2CH2OH|Butoksyetylowy alkohol|Butoxyethanol|Butyglycol|Butyl 2-hydroxyethyl ether|Butyl Cellosolve|Butyl Cellu-Sol|BUTYL GLYCOL|Butyl Glysolv|Butyl icinol|Butyl monoether glycol|Butyl Oxitol|Butylcellosolve|Butylcelosolv|Butylglycol|Butyloxitol|Caswell No. 121|Chimec NR|DB solvent|Dowanol EB|Eastman EB|Eb solvent|EGBE|Egmbe|EINECS 203-905-0|Ek tasolve eb solvent|Ektasolve EB|Ektasolve eb solvent|EPA Pesticide Chemical Code 011501|Eter monobutilico del etilenglicol|Ethanol, 2-butoxy-|Ether alcohol|Ether monobutylique de L'ethyleneglycol|E|107461-82-5|161279-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024097 https://doi.org/10.22427/NTP-DATA-DTXSID1024097
ERPathway2016 ERPathway2016_1038 2-Butoxyethanol 111-76-2 DTXSID1024097 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOCCO 2-Butoxyethanol 111-76-2|2-Butoxyethanol|2-Butossi-etanolo|2-butoxietanol|2-BUTOXY ETHANOL (ETHYLENE GLYCOL MONOBUTYL ETHER)|2-Butoxy-1-ethanol|2-Butoxy-aethanol|2-Butoxy-aethanol(GERMAN)|2-Butoxy-Ethanol|2-Butoxyethan-1-ol|2-Butoxyethanol|2-Butoxyethanol (butyl cellosolve)|2-Butoxyethanol (ethylene glycol monobutyl ether)|2-butoxyethanol m|2-hydroxyethyl n-butyl ether|2-N-Butoxy-1-ethanol|2-n-Butoxyethanol|3-Oxa-1-heptanol|AETHYLENGLYKOL-MONOBUTYLAETHER|beta-Butoxyethanol|Bikanol B 1|BRN 1732511|Buchiseru|BUCS|BuOCH2CH2OH|Butoksyetylowy alkohol|Butoxyethanol|Butyglycol|Butyl 2-hydroxyethyl ether|Butyl Cellosolve|Butyl Cellu-Sol|BUTYL GLYCOL|Butyl Glysolv|Butyl icinol|Butyl monoether glycol|Butyl Oxitol|Butylcellosolve|Butylcelosolv|Butylglycol|Butyloxitol|Caswell No. 121|Chimec NR|DB solvent|Dowanol EB|Eastman EB|Eb solvent|EGBE|Egmbe|EINECS 203-905-0|Ek tasolve eb solvent|Ektasolve EB|Ektasolve eb solvent|EPA Pesticide Chemical Code 011501|Eter monobutilico del etilenglicol|Ethanol, 2-butoxy-|Ether alcohol|Ether monobutylique de L'ethyleneglycol|E|107461-82-5|161279-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024097 https://doi.org/10.22427/NTP-DATA-DTXSID1024097
ERPathway2016 ERPathway2016_1038 2-Butoxyethanol 111-76-2 DTXSID1024097 ER Pathway Model, Agonist Call Inactive Unitless CCCCOCCO 2-Butoxyethanol 111-76-2|2-Butoxyethanol|2-Butossi-etanolo|2-butoxietanol|2-BUTOXY ETHANOL (ETHYLENE GLYCOL MONOBUTYL ETHER)|2-Butoxy-1-ethanol|2-Butoxy-aethanol|2-Butoxy-aethanol(GERMAN)|2-Butoxy-Ethanol|2-Butoxyethan-1-ol|2-Butoxyethanol|2-Butoxyethanol (butyl cellosolve)|2-Butoxyethanol (ethylene glycol monobutyl ether)|2-butoxyethanol m|2-hydroxyethyl n-butyl ether|2-N-Butoxy-1-ethanol|2-n-Butoxyethanol|3-Oxa-1-heptanol|AETHYLENGLYKOL-MONOBUTYLAETHER|beta-Butoxyethanol|Bikanol B 1|BRN 1732511|Buchiseru|BUCS|BuOCH2CH2OH|Butoksyetylowy alkohol|Butoxyethanol|Butyglycol|Butyl 2-hydroxyethyl ether|Butyl Cellosolve|Butyl Cellu-Sol|BUTYL GLYCOL|Butyl Glysolv|Butyl icinol|Butyl monoether glycol|Butyl Oxitol|Butylcellosolve|Butylcelosolv|Butylglycol|Butyloxitol|Caswell No. 121|Chimec NR|DB solvent|Dowanol EB|Eastman EB|Eb solvent|EGBE|Egmbe|EINECS 203-905-0|Ek tasolve eb solvent|Ektasolve EB|Ektasolve eb solvent|EPA Pesticide Chemical Code 011501|Eter monobutilico del etilenglicol|Ethanol, 2-butoxy-|Ether alcohol|Ether monobutylique de L'ethyleneglycol|E|107461-82-5|161279-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024097 https://doi.org/10.22427/NTP-DATA-DTXSID1024097
ERPathway2016 ERPathway2016_1038 2-Butoxyethanol 111-76-2 DTXSID1024097 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOCCO 2-Butoxyethanol 111-76-2|2-Butoxyethanol|2-Butossi-etanolo|2-butoxietanol|2-BUTOXY ETHANOL (ETHYLENE GLYCOL MONOBUTYL ETHER)|2-Butoxy-1-ethanol|2-Butoxy-aethanol|2-Butoxy-aethanol(GERMAN)|2-Butoxy-Ethanol|2-Butoxyethan-1-ol|2-Butoxyethanol|2-Butoxyethanol (butyl cellosolve)|2-Butoxyethanol (ethylene glycol monobutyl ether)|2-butoxyethanol m|2-hydroxyethyl n-butyl ether|2-N-Butoxy-1-ethanol|2-n-Butoxyethanol|3-Oxa-1-heptanol|AETHYLENGLYKOL-MONOBUTYLAETHER|beta-Butoxyethanol|Bikanol B 1|BRN 1732511|Buchiseru|BUCS|BuOCH2CH2OH|Butoksyetylowy alkohol|Butoxyethanol|Butyglycol|Butyl 2-hydroxyethyl ether|Butyl Cellosolve|Butyl Cellu-Sol|BUTYL GLYCOL|Butyl Glysolv|Butyl icinol|Butyl monoether glycol|Butyl Oxitol|Butylcellosolve|Butylcelosolv|Butylglycol|Butyloxitol|Caswell No. 121|Chimec NR|DB solvent|Dowanol EB|Eastman EB|Eb solvent|EGBE|Egmbe|EINECS 203-905-0|Ek tasolve eb solvent|Ektasolve EB|Ektasolve eb solvent|EPA Pesticide Chemical Code 011501|Eter monobutilico del etilenglicol|Ethanol, 2-butoxy-|Ether alcohol|Ether monobutylique de L'ethyleneglycol|E|107461-82-5|161279-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024097 https://doi.org/10.22427/NTP-DATA-DTXSID1024097
ARPathway2016 ARPathway2016_595 2-Butoxyethyl acetate 112-07-2 DTXSID1026904 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOCCOC(C)=O 2-Butoxyethyl acetate 112-07-2|2-Butoxyethyl acetate|2- Butoxyethanol acetate|2-Butoxyethanol acetate|2-Butoxyethylacetat|2-Butoxyethylester kyseliny octove|Acetate de 2-butoxyethyle|ACETATE, 2-BUTOXYETHYL|acetato de 2-butoxietilo|Acetic acid, 2-butoxyethyl ester|BRN 1756960|Butoxyethyl acetate|Butyl cellosolve acetate|Butyl glycol acetate|BUTYLCELLOSOLVE ACETATE|Butylcelosolvacetat|Dowanol EB acetate|EB Acetate|EINECS 203-933-3|Ektasolve EB acetate|ESSIGSAEURE-(2-BUTOXYAETHYL)-ESTER|Ethanol, 2-butoxy-, 1-acetate|Ethanol, 2-butoxy-, acetate|Ethylene glycol butyl ether acetate|Ethylene glycol monobutyl ether acetate|Glycol monobutyl ether acetate|n-Butoxyethanol acetate|UNII-WK5367RE39 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026904
ARPathway2016 ARPathway2016_595 2-Butoxyethyl acetate 112-07-2 DTXSID1026904 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOCCOC(C)=O 2-Butoxyethyl acetate 112-07-2|2-Butoxyethyl acetate|2- Butoxyethanol acetate|2-Butoxyethanol acetate|2-Butoxyethylacetat|2-Butoxyethylester kyseliny octove|Acetate de 2-butoxyethyle|ACETATE, 2-BUTOXYETHYL|acetato de 2-butoxietilo|Acetic acid, 2-butoxyethyl ester|BRN 1756960|Butoxyethyl acetate|Butyl cellosolve acetate|Butyl glycol acetate|BUTYLCELLOSOLVE ACETATE|Butylcelosolvacetat|Dowanol EB acetate|EB Acetate|EINECS 203-933-3|Ektasolve EB acetate|ESSIGSAEURE-(2-BUTOXYAETHYL)-ESTER|Ethanol, 2-butoxy-, 1-acetate|Ethanol, 2-butoxy-, acetate|Ethylene glycol butyl ether acetate|Ethylene glycol monobutyl ether acetate|Glycol monobutyl ether acetate|n-Butoxyethanol acetate|UNII-WK5367RE39 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026904
ARPathway2016 ARPathway2016_595 2-Butoxyethyl acetate 112-07-2 DTXSID1026904 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOCCOC(C)=O 2-Butoxyethyl acetate 112-07-2|2-Butoxyethyl acetate|2- Butoxyethanol acetate|2-Butoxyethanol acetate|2-Butoxyethylacetat|2-Butoxyethylester kyseliny octove|Acetate de 2-butoxyethyle|ACETATE, 2-BUTOXYETHYL|acetato de 2-butoxietilo|Acetic acid, 2-butoxyethyl ester|BRN 1756960|Butoxyethyl acetate|Butyl cellosolve acetate|Butyl glycol acetate|BUTYLCELLOSOLVE ACETATE|Butylcelosolvacetat|Dowanol EB acetate|EB Acetate|EINECS 203-933-3|Ektasolve EB acetate|ESSIGSAEURE-(2-BUTOXYAETHYL)-ESTER|Ethanol, 2-butoxy-, 1-acetate|Ethanol, 2-butoxy-, acetate|Ethylene glycol butyl ether acetate|Ethylene glycol monobutyl ether acetate|Glycol monobutyl ether acetate|n-Butoxyethanol acetate|UNII-WK5367RE39 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026904
ARPathway2016 ARPathway2016_595 2-Butoxyethyl acetate 112-07-2 DTXSID1026904 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOCCOC(C)=O 2-Butoxyethyl acetate 112-07-2|2-Butoxyethyl acetate|2- Butoxyethanol acetate|2-Butoxyethanol acetate|2-Butoxyethylacetat|2-Butoxyethylester kyseliny octove|Acetate de 2-butoxyethyle|ACETATE, 2-BUTOXYETHYL|acetato de 2-butoxietilo|Acetic acid, 2-butoxyethyl ester|BRN 1756960|Butoxyethyl acetate|Butyl cellosolve acetate|Butyl glycol acetate|BUTYLCELLOSOLVE ACETATE|Butylcelosolvacetat|Dowanol EB acetate|EB Acetate|EINECS 203-933-3|Ektasolve EB acetate|ESSIGSAEURE-(2-BUTOXYAETHYL)-ESTER|Ethanol, 2-butoxy-, 1-acetate|Ethanol, 2-butoxy-, acetate|Ethylene glycol butyl ether acetate|Ethylene glycol monobutyl ether acetate|Glycol monobutyl ether acetate|n-Butoxyethanol acetate|UNII-WK5367RE39 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026904
ERPathway2016 ERPathway2016_1166 2-Butoxyethyl acetate 112-07-2 DTXSID1026904 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOCCOC(C)=O 2-Butoxyethyl acetate 112-07-2|2-Butoxyethyl acetate|2- Butoxyethanol acetate|2-Butoxyethanol acetate|2-Butoxyethylacetat|2-Butoxyethylester kyseliny octove|Acetate de 2-butoxyethyle|ACETATE, 2-BUTOXYETHYL|acetato de 2-butoxietilo|Acetic acid, 2-butoxyethyl ester|BRN 1756960|Butoxyethyl acetate|Butyl cellosolve acetate|Butyl glycol acetate|BUTYLCELLOSOLVE ACETATE|Butylcelosolvacetat|Dowanol EB acetate|EB Acetate|EINECS 203-933-3|Ektasolve EB acetate|ESSIGSAEURE-(2-BUTOXYAETHYL)-ESTER|Ethanol, 2-butoxy-, 1-acetate|Ethanol, 2-butoxy-, acetate|Ethylene glycol butyl ether acetate|Ethylene glycol monobutyl ether acetate|Glycol monobutyl ether acetate|n-Butoxyethanol acetate|UNII-WK5367RE39 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026904
ERPathway2016 ERPathway2016_1166 2-Butoxyethyl acetate 112-07-2 DTXSID1026904 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOCCOC(C)=O 2-Butoxyethyl acetate 112-07-2|2-Butoxyethyl acetate|2- Butoxyethanol acetate|2-Butoxyethanol acetate|2-Butoxyethylacetat|2-Butoxyethylester kyseliny octove|Acetate de 2-butoxyethyle|ACETATE, 2-BUTOXYETHYL|acetato de 2-butoxietilo|Acetic acid, 2-butoxyethyl ester|BRN 1756960|Butoxyethyl acetate|Butyl cellosolve acetate|Butyl glycol acetate|BUTYLCELLOSOLVE ACETATE|Butylcelosolvacetat|Dowanol EB acetate|EB Acetate|EINECS 203-933-3|Ektasolve EB acetate|ESSIGSAEURE-(2-BUTOXYAETHYL)-ESTER|Ethanol, 2-butoxy-, 1-acetate|Ethanol, 2-butoxy-, acetate|Ethylene glycol butyl ether acetate|Ethylene glycol monobutyl ether acetate|Glycol monobutyl ether acetate|n-Butoxyethanol acetate|UNII-WK5367RE39 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026904
ERPathway2016 ERPathway2016_1166 2-Butoxyethyl acetate 112-07-2 DTXSID1026904 ER Pathway Model, Agonist Call Inactive Unitless CCCCOCCOC(C)=O 2-Butoxyethyl acetate 112-07-2|2-Butoxyethyl acetate|2- Butoxyethanol acetate|2-Butoxyethanol acetate|2-Butoxyethylacetat|2-Butoxyethylester kyseliny octove|Acetate de 2-butoxyethyle|ACETATE, 2-BUTOXYETHYL|acetato de 2-butoxietilo|Acetic acid, 2-butoxyethyl ester|BRN 1756960|Butoxyethyl acetate|Butyl cellosolve acetate|Butyl glycol acetate|BUTYLCELLOSOLVE ACETATE|Butylcelosolvacetat|Dowanol EB acetate|EB Acetate|EINECS 203-933-3|Ektasolve EB acetate|ESSIGSAEURE-(2-BUTOXYAETHYL)-ESTER|Ethanol, 2-butoxy-, 1-acetate|Ethanol, 2-butoxy-, acetate|Ethylene glycol butyl ether acetate|Ethylene glycol monobutyl ether acetate|Glycol monobutyl ether acetate|n-Butoxyethanol acetate|UNII-WK5367RE39 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026904
ERPathway2016 ERPathway2016_1166 2-Butoxyethyl acetate 112-07-2 DTXSID1026904 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOCCOC(C)=O 2-Butoxyethyl acetate 112-07-2|2-Butoxyethyl acetate|2- Butoxyethanol acetate|2-Butoxyethanol acetate|2-Butoxyethylacetat|2-Butoxyethylester kyseliny octove|Acetate de 2-butoxyethyle|ACETATE, 2-BUTOXYETHYL|acetato de 2-butoxietilo|Acetic acid, 2-butoxyethyl ester|BRN 1756960|Butoxyethyl acetate|Butyl cellosolve acetate|Butyl glycol acetate|BUTYLCELLOSOLVE ACETATE|Butylcelosolvacetat|Dowanol EB acetate|EB Acetate|EINECS 203-933-3|Ektasolve EB acetate|ESSIGSAEURE-(2-BUTOXYAETHYL)-ESTER|Ethanol, 2-butoxy-, 1-acetate|Ethanol, 2-butoxy-, acetate|Ethylene glycol butyl ether acetate|Ethylene glycol monobutyl ether acetate|Glycol monobutyl ether acetate|n-Butoxyethanol acetate|UNII-WK5367RE39 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026904
ARPathway2016 ARPathway2016_1186 2-Butyloctan-1-ol 3913-02-8 DTXSID0044818 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC(CO)CCCC 2-Butyloctan-1-ol 3913-02-8|2-Butyloctan-1-ol|1-Octanol, 2-butyl-|2-butiloctan-1-ol|2-Butyl-1-octanol|2-butyloctane-1-ol|2-Butyloctanol|2-butyloctyl alcohol|4-01-00-01855|5-(hydroxymethyl)undecane|5-Hydroxymethylundecane|BRN 1738522|butyloctanol|EINECS 223-470-0|Guerbet C12|Guerbet dodecanol|Isododecyl alcohol|Isofol 12|Jarcol I 12|Michel XO-150-12|NSC 2414|UNII-N442D9VO79|201057-93-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044818
ARPathway2016 ARPathway2016_1186 2-Butyloctan-1-ol 3913-02-8 DTXSID0044818 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCC(CO)CCCC 2-Butyloctan-1-ol 3913-02-8|2-Butyloctan-1-ol|1-Octanol, 2-butyl-|2-butiloctan-1-ol|2-Butyl-1-octanol|2-butyloctane-1-ol|2-Butyloctanol|2-butyloctyl alcohol|4-01-00-01855|5-(hydroxymethyl)undecane|5-Hydroxymethylundecane|BRN 1738522|butyloctanol|EINECS 223-470-0|Guerbet C12|Guerbet dodecanol|Isododecyl alcohol|Isofol 12|Jarcol I 12|Michel XO-150-12|NSC 2414|UNII-N442D9VO79|201057-93-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044818
ARPathway2016 ARPathway2016_1186 2-Butyloctan-1-ol 3913-02-8 DTXSID0044818 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCC(CO)CCCC 2-Butyloctan-1-ol 3913-02-8|2-Butyloctan-1-ol|1-Octanol, 2-butyl-|2-butiloctan-1-ol|2-Butyl-1-octanol|2-butyloctane-1-ol|2-Butyloctanol|2-butyloctyl alcohol|4-01-00-01855|5-(hydroxymethyl)undecane|5-Hydroxymethylundecane|BRN 1738522|butyloctanol|EINECS 223-470-0|Guerbet C12|Guerbet dodecanol|Isododecyl alcohol|Isofol 12|Jarcol I 12|Michel XO-150-12|NSC 2414|UNII-N442D9VO79|201057-93-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044818
ARPathway2016 ARPathway2016_1186 2-Butyloctan-1-ol 3913-02-8 DTXSID0044818 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCC(CO)CCCC 2-Butyloctan-1-ol 3913-02-8|2-Butyloctan-1-ol|1-Octanol, 2-butyl-|2-butiloctan-1-ol|2-Butyl-1-octanol|2-butyloctane-1-ol|2-Butyloctanol|2-butyloctyl alcohol|4-01-00-01855|5-(hydroxymethyl)undecane|5-Hydroxymethylundecane|BRN 1738522|butyloctanol|EINECS 223-470-0|Guerbet C12|Guerbet dodecanol|Isododecyl alcohol|Isofol 12|Jarcol I 12|Michel XO-150-12|NSC 2414|UNII-N442D9VO79|201057-93-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044818
ERPathway2016 ERPathway2016_1476 2-Butyloctan-1-ol 3913-02-8 DTXSID0044818 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCC(CO)CCCC 2-Butyloctan-1-ol 3913-02-8|2-Butyloctan-1-ol|1-Octanol, 2-butyl-|2-butiloctan-1-ol|2-Butyl-1-octanol|2-butyloctane-1-ol|2-Butyloctanol|2-butyloctyl alcohol|4-01-00-01855|5-(hydroxymethyl)undecane|5-Hydroxymethylundecane|BRN 1738522|butyloctanol|EINECS 223-470-0|Guerbet C12|Guerbet dodecanol|Isododecyl alcohol|Isofol 12|Jarcol I 12|Michel XO-150-12|NSC 2414|UNII-N442D9VO79|201057-93-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044818
ERPathway2016 ERPathway2016_1476 2-Butyloctan-1-ol 3913-02-8 DTXSID0044818 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC(CO)CCCC 2-Butyloctan-1-ol 3913-02-8|2-Butyloctan-1-ol|1-Octanol, 2-butyl-|2-butiloctan-1-ol|2-Butyl-1-octanol|2-butyloctane-1-ol|2-Butyloctanol|2-butyloctyl alcohol|4-01-00-01855|5-(hydroxymethyl)undecane|5-Hydroxymethylundecane|BRN 1738522|butyloctanol|EINECS 223-470-0|Guerbet C12|Guerbet dodecanol|Isododecyl alcohol|Isofol 12|Jarcol I 12|Michel XO-150-12|NSC 2414|UNII-N442D9VO79|201057-93-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044818
ERPathway2016 ERPathway2016_1476 2-Butyloctan-1-ol 3913-02-8 DTXSID0044818 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCC(CO)CCCC 2-Butyloctan-1-ol 3913-02-8|2-Butyloctan-1-ol|1-Octanol, 2-butyl-|2-butiloctan-1-ol|2-Butyl-1-octanol|2-butyloctane-1-ol|2-Butyloctanol|2-butyloctyl alcohol|4-01-00-01855|5-(hydroxymethyl)undecane|5-Hydroxymethylundecane|BRN 1738522|butyloctanol|EINECS 223-470-0|Guerbet C12|Guerbet dodecanol|Isododecyl alcohol|Isofol 12|Jarcol I 12|Michel XO-150-12|NSC 2414|UNII-N442D9VO79|201057-93-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044818
ERPathway2016 ERPathway2016_1476 2-Butyloctan-1-ol 3913-02-8 DTXSID0044818 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCC(CO)CCCC 2-Butyloctan-1-ol 3913-02-8|2-Butyloctan-1-ol|1-Octanol, 2-butyl-|2-butiloctan-1-ol|2-Butyl-1-octanol|2-butyloctane-1-ol|2-Butyloctanol|2-butyloctyl alcohol|4-01-00-01855|5-(hydroxymethyl)undecane|5-Hydroxymethylundecane|BRN 1738522|butyloctanol|EINECS 223-470-0|Guerbet C12|Guerbet dodecanol|Isododecyl alcohol|Isofol 12|Jarcol I 12|Michel XO-150-12|NSC 2414|UNII-N442D9VO79|201057-93-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044818
ARPathway2016 ARPathway2016_549 2-Butyne-1,4-diol 110-65-6 DTXSID4021921 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCC#CCO 2-Butyne-1,4-diol 110-65-6|2-Butyne-1,4-diol|1,4-Butinodiol|1,4-Butynediol|1,4-Dihydroxy-2-butyne|1,4-dimethoxyacetylene|2-BUTIN-1,4-DIOL|2-Butynediol|4-01-00-02687|Agrisynth B3D|Bis(hydroxymethyl)acetylene|BRN 1071237|But-2-in-1,4-diol|but-2-ino-1,4-diol|But-2-yne-1,4-diol|Butyne-2-diol-1,4|BUTYNEDIOL|Butynediol-1,4|EINECS 203-788-6|NSC 834|UN 2716|UNII-AXH202FPQM https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021921 https://doi.org/10.22427/NTP-DATA-DTXSID4021921
ARPathway2016 ARPathway2016_549 2-Butyne-1,4-diol 110-65-6 DTXSID4021921 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCC#CCO 2-Butyne-1,4-diol 110-65-6|2-Butyne-1,4-diol|1,4-Butinodiol|1,4-Butynediol|1,4-Dihydroxy-2-butyne|1,4-dimethoxyacetylene|2-BUTIN-1,4-DIOL|2-Butynediol|4-01-00-02687|Agrisynth B3D|Bis(hydroxymethyl)acetylene|BRN 1071237|But-2-in-1,4-diol|but-2-ino-1,4-diol|But-2-yne-1,4-diol|Butyne-2-diol-1,4|BUTYNEDIOL|Butynediol-1,4|EINECS 203-788-6|NSC 834|UN 2716|UNII-AXH202FPQM https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021921 https://doi.org/10.22427/NTP-DATA-DTXSID4021921
ARPathway2016 ARPathway2016_549 2-Butyne-1,4-diol 110-65-6 DTXSID4021921 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCC#CCO 2-Butyne-1,4-diol 110-65-6|2-Butyne-1,4-diol|1,4-Butinodiol|1,4-Butynediol|1,4-Dihydroxy-2-butyne|1,4-dimethoxyacetylene|2-BUTIN-1,4-DIOL|2-Butynediol|4-01-00-02687|Agrisynth B3D|Bis(hydroxymethyl)acetylene|BRN 1071237|But-2-in-1,4-diol|but-2-ino-1,4-diol|But-2-yne-1,4-diol|Butyne-2-diol-1,4|BUTYNEDIOL|Butynediol-1,4|EINECS 203-788-6|NSC 834|UN 2716|UNII-AXH202FPQM https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021921 https://doi.org/10.22427/NTP-DATA-DTXSID4021921
ARPathway2016 ARPathway2016_549 2-Butyne-1,4-diol 110-65-6 DTXSID4021921 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCC#CCO 2-Butyne-1,4-diol 110-65-6|2-Butyne-1,4-diol|1,4-Butinodiol|1,4-Butynediol|1,4-Dihydroxy-2-butyne|1,4-dimethoxyacetylene|2-BUTIN-1,4-DIOL|2-Butynediol|4-01-00-02687|Agrisynth B3D|Bis(hydroxymethyl)acetylene|BRN 1071237|But-2-in-1,4-diol|but-2-ino-1,4-diol|But-2-yne-1,4-diol|Butyne-2-diol-1,4|BUTYNEDIOL|Butynediol-1,4|EINECS 203-788-6|NSC 834|UN 2716|UNII-AXH202FPQM https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021921 https://doi.org/10.22427/NTP-DATA-DTXSID4021921
ERPathway2016 ERPathway2016_1139 2-Butyne-1,4-diol 110-65-6 DTXSID4021921 ER Pathway Model, Agonist Model Score 0 Unitless OCC#CCO 2-Butyne-1,4-diol 110-65-6|2-Butyne-1,4-diol|1,4-Butinodiol|1,4-Butynediol|1,4-Dihydroxy-2-butyne|1,4-dimethoxyacetylene|2-BUTIN-1,4-DIOL|2-Butynediol|4-01-00-02687|Agrisynth B3D|Bis(hydroxymethyl)acetylene|BRN 1071237|But-2-in-1,4-diol|but-2-ino-1,4-diol|But-2-yne-1,4-diol|Butyne-2-diol-1,4|BUTYNEDIOL|Butynediol-1,4|EINECS 203-788-6|NSC 834|UN 2716|UNII-AXH202FPQM https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021921 https://doi.org/10.22427/NTP-DATA-DTXSID4021921
ERPathway2016 ERPathway2016_1139 2-Butyne-1,4-diol 110-65-6 DTXSID4021921 ER Pathway Model, Antagonist Model Score 0 Unitless OCC#CCO 2-Butyne-1,4-diol 110-65-6|2-Butyne-1,4-diol|1,4-Butinodiol|1,4-Butynediol|1,4-Dihydroxy-2-butyne|1,4-dimethoxyacetylene|2-BUTIN-1,4-DIOL|2-Butynediol|4-01-00-02687|Agrisynth B3D|Bis(hydroxymethyl)acetylene|BRN 1071237|But-2-in-1,4-diol|but-2-ino-1,4-diol|But-2-yne-1,4-diol|Butyne-2-diol-1,4|BUTYNEDIOL|Butynediol-1,4|EINECS 203-788-6|NSC 834|UN 2716|UNII-AXH202FPQM https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021921 https://doi.org/10.22427/NTP-DATA-DTXSID4021921
ERPathway2016 ERPathway2016_1139 2-Butyne-1,4-diol 110-65-6 DTXSID4021921 ER Pathway Model, Agonist Call Inactive Unitless OCC#CCO 2-Butyne-1,4-diol 110-65-6|2-Butyne-1,4-diol|1,4-Butinodiol|1,4-Butynediol|1,4-Dihydroxy-2-butyne|1,4-dimethoxyacetylene|2-BUTIN-1,4-DIOL|2-Butynediol|4-01-00-02687|Agrisynth B3D|Bis(hydroxymethyl)acetylene|BRN 1071237|But-2-in-1,4-diol|but-2-ino-1,4-diol|But-2-yne-1,4-diol|Butyne-2-diol-1,4|BUTYNEDIOL|Butynediol-1,4|EINECS 203-788-6|NSC 834|UN 2716|UNII-AXH202FPQM https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021921 https://doi.org/10.22427/NTP-DATA-DTXSID4021921
ERPathway2016 ERPathway2016_1139 2-Butyne-1,4-diol 110-65-6 DTXSID4021921 ER Pathway Model, Antagonist Call Inactive Unitless OCC#CCO 2-Butyne-1,4-diol 110-65-6|2-Butyne-1,4-diol|1,4-Butinodiol|1,4-Butynediol|1,4-Dihydroxy-2-butyne|1,4-dimethoxyacetylene|2-BUTIN-1,4-DIOL|2-Butynediol|4-01-00-02687|Agrisynth B3D|Bis(hydroxymethyl)acetylene|BRN 1071237|But-2-in-1,4-diol|but-2-ino-1,4-diol|But-2-yne-1,4-diol|Butyne-2-diol-1,4|BUTYNEDIOL|Butynediol-1,4|EINECS 203-788-6|NSC 834|UN 2716|UNII-AXH202FPQM https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021921 https://doi.org/10.22427/NTP-DATA-DTXSID4021921
ARPathway2016 ARPathway2016_489 2-Chloroacetaldehyde 107-20-0 DTXSID4020292 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClCC=O 2-Chloroacetaldehyde 107-20-0|2-Chloroacetaldehyde|2-Chloro-1-ethanal|2-Chloroacetaldehyde|2-Chloroethanal|4-01-00-03134|Acetaldehyde, 2-chloro-|Acetaldehyde, chloro-|BRN 1071226|CAA|Chloracetaldehyd|Chloroacetaldehyde|Chloroacetaldehyde monomer|Chloroaldehyde|Chloroethanal|cloroacetaldehido|EINECS 203-472-8|Monochloroacetaldehyde|RCRA waste number P023|UN 2232|UNII-CF069F5D9C|a-Chloroacetaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020292 https://doi.org/10.22427/NTP-DATA-DTXSID4020292
ARPathway2016 ARPathway2016_489 2-Chloroacetaldehyde 107-20-0 DTXSID4020292 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClCC=O 2-Chloroacetaldehyde 107-20-0|2-Chloroacetaldehyde|2-Chloro-1-ethanal|2-Chloroacetaldehyde|2-Chloroethanal|4-01-00-03134|Acetaldehyde, 2-chloro-|Acetaldehyde, chloro-|BRN 1071226|CAA|Chloracetaldehyd|Chloroacetaldehyde|Chloroacetaldehyde monomer|Chloroaldehyde|Chloroethanal|cloroacetaldehido|EINECS 203-472-8|Monochloroacetaldehyde|RCRA waste number P023|UN 2232|UNII-CF069F5D9C|a-Chloroacetaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020292 https://doi.org/10.22427/NTP-DATA-DTXSID4020292
ARPathway2016 ARPathway2016_489 2-Chloroacetaldehyde 107-20-0 DTXSID4020292 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClCC=O 2-Chloroacetaldehyde 107-20-0|2-Chloroacetaldehyde|2-Chloro-1-ethanal|2-Chloroacetaldehyde|2-Chloroethanal|4-01-00-03134|Acetaldehyde, 2-chloro-|Acetaldehyde, chloro-|BRN 1071226|CAA|Chloracetaldehyd|Chloroacetaldehyde|Chloroacetaldehyde monomer|Chloroaldehyde|Chloroethanal|cloroacetaldehido|EINECS 203-472-8|Monochloroacetaldehyde|RCRA waste number P023|UN 2232|UNII-CF069F5D9C|a-Chloroacetaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020292 https://doi.org/10.22427/NTP-DATA-DTXSID4020292
ARPathway2016 ARPathway2016_489 2-Chloroacetaldehyde 107-20-0 DTXSID4020292 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClCC=O 2-Chloroacetaldehyde 107-20-0|2-Chloroacetaldehyde|2-Chloro-1-ethanal|2-Chloroacetaldehyde|2-Chloroethanal|4-01-00-03134|Acetaldehyde, 2-chloro-|Acetaldehyde, chloro-|BRN 1071226|CAA|Chloracetaldehyd|Chloroacetaldehyde|Chloroacetaldehyde monomer|Chloroaldehyde|Chloroethanal|cloroacetaldehido|EINECS 203-472-8|Monochloroacetaldehyde|RCRA waste number P023|UN 2232|UNII-CF069F5D9C|a-Chloroacetaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020292 https://doi.org/10.22427/NTP-DATA-DTXSID4020292
ERPathway2016 ERPathway2016_992 2-Chloroacetaldehyde 107-20-0 DTXSID4020292 ER Pathway Model, Agonist Model Score 0 Unitless ClCC=O 2-Chloroacetaldehyde 107-20-0|2-Chloroacetaldehyde|2-Chloro-1-ethanal|2-Chloroacetaldehyde|2-Chloroethanal|4-01-00-03134|Acetaldehyde, 2-chloro-|Acetaldehyde, chloro-|BRN 1071226|CAA|Chloracetaldehyd|Chloroacetaldehyde|Chloroacetaldehyde monomer|Chloroaldehyde|Chloroethanal|cloroacetaldehido|EINECS 203-472-8|Monochloroacetaldehyde|RCRA waste number P023|UN 2232|UNII-CF069F5D9C|a-Chloroacetaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020292 https://doi.org/10.22427/NTP-DATA-DTXSID4020292
ERPathway2016 ERPathway2016_992 2-Chloroacetaldehyde 107-20-0 DTXSID4020292 ER Pathway Model, Antagonist Model Score 0 Unitless ClCC=O 2-Chloroacetaldehyde 107-20-0|2-Chloroacetaldehyde|2-Chloro-1-ethanal|2-Chloroacetaldehyde|2-Chloroethanal|4-01-00-03134|Acetaldehyde, 2-chloro-|Acetaldehyde, chloro-|BRN 1071226|CAA|Chloracetaldehyd|Chloroacetaldehyde|Chloroacetaldehyde monomer|Chloroaldehyde|Chloroethanal|cloroacetaldehido|EINECS 203-472-8|Monochloroacetaldehyde|RCRA waste number P023|UN 2232|UNII-CF069F5D9C|a-Chloroacetaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020292 https://doi.org/10.22427/NTP-DATA-DTXSID4020292
ERPathway2016 ERPathway2016_992 2-Chloroacetaldehyde 107-20-0 DTXSID4020292 ER Pathway Model, Agonist Call Inactive Unitless ClCC=O 2-Chloroacetaldehyde 107-20-0|2-Chloroacetaldehyde|2-Chloro-1-ethanal|2-Chloroacetaldehyde|2-Chloroethanal|4-01-00-03134|Acetaldehyde, 2-chloro-|Acetaldehyde, chloro-|BRN 1071226|CAA|Chloracetaldehyd|Chloroacetaldehyde|Chloroacetaldehyde monomer|Chloroaldehyde|Chloroethanal|cloroacetaldehido|EINECS 203-472-8|Monochloroacetaldehyde|RCRA waste number P023|UN 2232|UNII-CF069F5D9C|a-Chloroacetaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020292 https://doi.org/10.22427/NTP-DATA-DTXSID4020292
ERPathway2016 ERPathway2016_992 2-Chloroacetaldehyde 107-20-0 DTXSID4020292 ER Pathway Model, Antagonist Call Inactive Unitless ClCC=O 2-Chloroacetaldehyde 107-20-0|2-Chloroacetaldehyde|2-Chloro-1-ethanal|2-Chloroacetaldehyde|2-Chloroethanal|4-01-00-03134|Acetaldehyde, 2-chloro-|Acetaldehyde, chloro-|BRN 1071226|CAA|Chloracetaldehyd|Chloroacetaldehyde|Chloroacetaldehyde monomer|Chloroaldehyde|Chloroethanal|cloroacetaldehido|EINECS 203-472-8|Monochloroacetaldehyde|RCRA waste number P023|UN 2232|UNII-CF069F5D9C|a-Chloroacetaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020292 https://doi.org/10.22427/NTP-DATA-DTXSID4020292
ARPathway2016 ARPathway2016_203 2-Chloroacetophenone 532-27-4 DTXSID9020293 True antagonist shift (No hit/Hit) 3.0 R4 AR Pathway Model, Agonist AC50 24.8761044 uM ClCC(=O)C1=CC=CC=C1 2-Chloroacetophenone 532-27-4|2-Chloroacetophenone|(2-Chloro-1-oxoethyl)benzene|(Chloroacetyl)benzene|1-Chloroacetophenone|1-Phenyl-2-chloro-1-ethanone|2-Chloracetophenon|2-Chloro-1-phenyl-1-ethanone|2-Chloro-1-phenyl-ethanone|2-Chloro-1-phenylethanone|2-cloroacetofenona|3'-Chloroacetophenone|4-07-00-00641|Acetophenone, 2-chloro-|ACETOPHENONE, CHLORO-|Acetophenone, a-chloro-|Agent CNB|Agent CNC|alpha-Chloroacetophenone|Benzoylmethyl chloride|BRN 0507950|Caswell No. 179C|Chemical mace|Chloracetophenone|Chloroacetophenone|Chloromethyl phenyl ketone|CN|EINECS 208-531-1|EPA Pesticide Chemical Code 018001|Ethanone, 2-chloro-1-phenyl-|NCI-C55107|NSC 41666|Phenacyl chloride|Phenacylchloride|Phenyl chloromethyl ketone|Phenylchloromethylketone|Tear gas|UN 1697|UNII-88B5039IQG|A-CHLORACETOPHENON|a-Chloroacetophenone|o-Chloroacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020293 https://doi.org/10.22427/NTP-DATA-DTXSID9020293
ARPathway2016 ARPathway2016_203 2-Chloroacetophenone 532-27-4 DTXSID9020293 True antagonist shift (No hit/Hit) 3.0 R4 AR Pathway Model, Agonist ACC 24.96959945 uM ClCC(=O)C1=CC=CC=C1 2-Chloroacetophenone 532-27-4|2-Chloroacetophenone|(2-Chloro-1-oxoethyl)benzene|(Chloroacetyl)benzene|1-Chloroacetophenone|1-Phenyl-2-chloro-1-ethanone|2-Chloracetophenon|2-Chloro-1-phenyl-1-ethanone|2-Chloro-1-phenyl-ethanone|2-Chloro-1-phenylethanone|2-cloroacetofenona|3'-Chloroacetophenone|4-07-00-00641|Acetophenone, 2-chloro-|ACETOPHENONE, CHLORO-|Acetophenone, a-chloro-|Agent CNB|Agent CNC|alpha-Chloroacetophenone|Benzoylmethyl chloride|BRN 0507950|Caswell No. 179C|Chemical mace|Chloracetophenone|Chloroacetophenone|Chloromethyl phenyl ketone|CN|EINECS 208-531-1|EPA Pesticide Chemical Code 018001|Ethanone, 2-chloro-1-phenyl-|NCI-C55107|NSC 41666|Phenacyl chloride|Phenacylchloride|Phenyl chloromethyl ketone|Phenylchloromethylketone|Tear gas|UN 1697|UNII-88B5039IQG|A-CHLORACETOPHENON|a-Chloroacetophenone|o-Chloroacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020293 https://doi.org/10.22427/NTP-DATA-DTXSID9020293
ARPathway2016 ARPathway2016_203 2-Chloroacetophenone 532-27-4 DTXSID9020293 True antagonist shift (No hit/Hit) 3.0 R4 AR Pathway Model, Antagonist Model Score 0.0408 Unitless ClCC(=O)C1=CC=CC=C1 2-Chloroacetophenone 532-27-4|2-Chloroacetophenone|(2-Chloro-1-oxoethyl)benzene|(Chloroacetyl)benzene|1-Chloroacetophenone|1-Phenyl-2-chloro-1-ethanone|2-Chloracetophenon|2-Chloro-1-phenyl-1-ethanone|2-Chloro-1-phenyl-ethanone|2-Chloro-1-phenylethanone|2-cloroacetofenona|3'-Chloroacetophenone|4-07-00-00641|Acetophenone, 2-chloro-|ACETOPHENONE, CHLORO-|Acetophenone, a-chloro-|Agent CNB|Agent CNC|alpha-Chloroacetophenone|Benzoylmethyl chloride|BRN 0507950|Caswell No. 179C|Chemical mace|Chloracetophenone|Chloroacetophenone|Chloromethyl phenyl ketone|CN|EINECS 208-531-1|EPA Pesticide Chemical Code 018001|Ethanone, 2-chloro-1-phenyl-|NCI-C55107|NSC 41666|Phenacyl chloride|Phenacylchloride|Phenyl chloromethyl ketone|Phenylchloromethylketone|Tear gas|UN 1697|UNII-88B5039IQG|A-CHLORACETOPHENON|a-Chloroacetophenone|o-Chloroacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020293 https://doi.org/10.22427/NTP-DATA-DTXSID9020293
ARPathway2016 ARPathway2016_203 2-Chloroacetophenone 532-27-4 DTXSID9020293 True antagonist shift (No hit/Hit) 3.0 R4 AR Pathway Model, Agonist Model Score 0.00461 Unitless ClCC(=O)C1=CC=CC=C1 2-Chloroacetophenone 532-27-4|2-Chloroacetophenone|(2-Chloro-1-oxoethyl)benzene|(Chloroacetyl)benzene|1-Chloroacetophenone|1-Phenyl-2-chloro-1-ethanone|2-Chloracetophenon|2-Chloro-1-phenyl-1-ethanone|2-Chloro-1-phenyl-ethanone|2-Chloro-1-phenylethanone|2-cloroacetofenona|3'-Chloroacetophenone|4-07-00-00641|Acetophenone, 2-chloro-|ACETOPHENONE, CHLORO-|Acetophenone, a-chloro-|Agent CNB|Agent CNC|alpha-Chloroacetophenone|Benzoylmethyl chloride|BRN 0507950|Caswell No. 179C|Chemical mace|Chloracetophenone|Chloroacetophenone|Chloromethyl phenyl ketone|CN|EINECS 208-531-1|EPA Pesticide Chemical Code 018001|Ethanone, 2-chloro-1-phenyl-|NCI-C55107|NSC 41666|Phenacyl chloride|Phenacylchloride|Phenyl chloromethyl ketone|Phenylchloromethylketone|Tear gas|UN 1697|UNII-88B5039IQG|A-CHLORACETOPHENON|a-Chloroacetophenone|o-Chloroacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020293 https://doi.org/10.22427/NTP-DATA-DTXSID9020293
ARPathway2016 ARPathway2016_203 2-Chloroacetophenone 532-27-4 DTXSID9020293 True antagonist shift (No hit/Hit) 3.0 R4 AR Pathway Model, Agonist Call Active Unitless ClCC(=O)C1=CC=CC=C1 2-Chloroacetophenone 532-27-4|2-Chloroacetophenone|(2-Chloro-1-oxoethyl)benzene|(Chloroacetyl)benzene|1-Chloroacetophenone|1-Phenyl-2-chloro-1-ethanone|2-Chloracetophenon|2-Chloro-1-phenyl-1-ethanone|2-Chloro-1-phenyl-ethanone|2-Chloro-1-phenylethanone|2-cloroacetofenona|3'-Chloroacetophenone|4-07-00-00641|Acetophenone, 2-chloro-|ACETOPHENONE, CHLORO-|Acetophenone, a-chloro-|Agent CNB|Agent CNC|alpha-Chloroacetophenone|Benzoylmethyl chloride|BRN 0507950|Caswell No. 179C|Chemical mace|Chloracetophenone|Chloroacetophenone|Chloromethyl phenyl ketone|CN|EINECS 208-531-1|EPA Pesticide Chemical Code 018001|Ethanone, 2-chloro-1-phenyl-|NCI-C55107|NSC 41666|Phenacyl chloride|Phenacylchloride|Phenyl chloromethyl ketone|Phenylchloromethylketone|Tear gas|UN 1697|UNII-88B5039IQG|A-CHLORACETOPHENON|a-Chloroacetophenone|o-Chloroacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020293 https://doi.org/10.22427/NTP-DATA-DTXSID9020293
ARPathway2016 ARPathway2016_203 2-Chloroacetophenone 532-27-4 DTXSID9020293 True antagonist shift (No hit/Hit) 3.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless ClCC(=O)C1=CC=CC=C1 2-Chloroacetophenone 532-27-4|2-Chloroacetophenone|(2-Chloro-1-oxoethyl)benzene|(Chloroacetyl)benzene|1-Chloroacetophenone|1-Phenyl-2-chloro-1-ethanone|2-Chloracetophenon|2-Chloro-1-phenyl-1-ethanone|2-Chloro-1-phenyl-ethanone|2-Chloro-1-phenylethanone|2-cloroacetofenona|3'-Chloroacetophenone|4-07-00-00641|Acetophenone, 2-chloro-|ACETOPHENONE, CHLORO-|Acetophenone, a-chloro-|Agent CNB|Agent CNC|alpha-Chloroacetophenone|Benzoylmethyl chloride|BRN 0507950|Caswell No. 179C|Chemical mace|Chloracetophenone|Chloroacetophenone|Chloromethyl phenyl ketone|CN|EINECS 208-531-1|EPA Pesticide Chemical Code 018001|Ethanone, 2-chloro-1-phenyl-|NCI-C55107|NSC 41666|Phenacyl chloride|Phenacylchloride|Phenyl chloromethyl ketone|Phenylchloromethylketone|Tear gas|UN 1697|UNII-88B5039IQG|A-CHLORACETOPHENON|a-Chloroacetophenone|o-Chloroacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020293 https://doi.org/10.22427/NTP-DATA-DTXSID9020293
ERPathway2016 ERPathway2016_373 2-Chloroacetophenone 532-27-4 DTXSID9020293 ER Pathway Model, Antagonist AC50 73.522652188887 uM ClCC(=O)C1=CC=CC=C1 2-Chloroacetophenone 532-27-4|2-Chloroacetophenone|(2-Chloro-1-oxoethyl)benzene|(Chloroacetyl)benzene|1-Chloroacetophenone|1-Phenyl-2-chloro-1-ethanone|2-Chloracetophenon|2-Chloro-1-phenyl-1-ethanone|2-Chloro-1-phenyl-ethanone|2-Chloro-1-phenylethanone|2-cloroacetofenona|3'-Chloroacetophenone|4-07-00-00641|Acetophenone, 2-chloro-|ACETOPHENONE, CHLORO-|Acetophenone, a-chloro-|Agent CNB|Agent CNC|alpha-Chloroacetophenone|Benzoylmethyl chloride|BRN 0507950|Caswell No. 179C|Chemical mace|Chloracetophenone|Chloroacetophenone|Chloromethyl phenyl ketone|CN|EINECS 208-531-1|EPA Pesticide Chemical Code 018001|Ethanone, 2-chloro-1-phenyl-|NCI-C55107|NSC 41666|Phenacyl chloride|Phenacylchloride|Phenyl chloromethyl ketone|Phenylchloromethylketone|Tear gas|UN 1697|UNII-88B5039IQG|A-CHLORACETOPHENON|a-Chloroacetophenone|o-Chloroacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020293 https://doi.org/10.22427/NTP-DATA-DTXSID9020293
ERPathway2016 ERPathway2016_373 2-Chloroacetophenone 532-27-4 DTXSID9020293 ER Pathway Model, Antagonist ACC 63.8771770069968 uM ClCC(=O)C1=CC=CC=C1 2-Chloroacetophenone 532-27-4|2-Chloroacetophenone|(2-Chloro-1-oxoethyl)benzene|(Chloroacetyl)benzene|1-Chloroacetophenone|1-Phenyl-2-chloro-1-ethanone|2-Chloracetophenon|2-Chloro-1-phenyl-1-ethanone|2-Chloro-1-phenyl-ethanone|2-Chloro-1-phenylethanone|2-cloroacetofenona|3'-Chloroacetophenone|4-07-00-00641|Acetophenone, 2-chloro-|ACETOPHENONE, CHLORO-|Acetophenone, a-chloro-|Agent CNB|Agent CNC|alpha-Chloroacetophenone|Benzoylmethyl chloride|BRN 0507950|Caswell No. 179C|Chemical mace|Chloracetophenone|Chloroacetophenone|Chloromethyl phenyl ketone|CN|EINECS 208-531-1|EPA Pesticide Chemical Code 018001|Ethanone, 2-chloro-1-phenyl-|NCI-C55107|NSC 41666|Phenacyl chloride|Phenacylchloride|Phenyl chloromethyl ketone|Phenylchloromethylketone|Tear gas|UN 1697|UNII-88B5039IQG|A-CHLORACETOPHENON|a-Chloroacetophenone|o-Chloroacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020293 https://doi.org/10.22427/NTP-DATA-DTXSID9020293
ERPathway2016 ERPathway2016_373 2-Chloroacetophenone 532-27-4 DTXSID9020293 ER Pathway Model, Agonist Model Score 0.0137 Unitless ClCC(=O)C1=CC=CC=C1 2-Chloroacetophenone 532-27-4|2-Chloroacetophenone|(2-Chloro-1-oxoethyl)benzene|(Chloroacetyl)benzene|1-Chloroacetophenone|1-Phenyl-2-chloro-1-ethanone|2-Chloracetophenon|2-Chloro-1-phenyl-1-ethanone|2-Chloro-1-phenyl-ethanone|2-Chloro-1-phenylethanone|2-cloroacetofenona|3'-Chloroacetophenone|4-07-00-00641|Acetophenone, 2-chloro-|ACETOPHENONE, CHLORO-|Acetophenone, a-chloro-|Agent CNB|Agent CNC|alpha-Chloroacetophenone|Benzoylmethyl chloride|BRN 0507950|Caswell No. 179C|Chemical mace|Chloracetophenone|Chloroacetophenone|Chloromethyl phenyl ketone|CN|EINECS 208-531-1|EPA Pesticide Chemical Code 018001|Ethanone, 2-chloro-1-phenyl-|NCI-C55107|NSC 41666|Phenacyl chloride|Phenacylchloride|Phenyl chloromethyl ketone|Phenylchloromethylketone|Tear gas|UN 1697|UNII-88B5039IQG|A-CHLORACETOPHENON|a-Chloroacetophenone|o-Chloroacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020293 https://doi.org/10.22427/NTP-DATA-DTXSID9020293
ERPathway2016 ERPathway2016_373 2-Chloroacetophenone 532-27-4 DTXSID9020293 ER Pathway Model, Antagonist Model Score 0 Unitless ClCC(=O)C1=CC=CC=C1 2-Chloroacetophenone 532-27-4|2-Chloroacetophenone|(2-Chloro-1-oxoethyl)benzene|(Chloroacetyl)benzene|1-Chloroacetophenone|1-Phenyl-2-chloro-1-ethanone|2-Chloracetophenon|2-Chloro-1-phenyl-1-ethanone|2-Chloro-1-phenyl-ethanone|2-Chloro-1-phenylethanone|2-cloroacetofenona|3'-Chloroacetophenone|4-07-00-00641|Acetophenone, 2-chloro-|ACETOPHENONE, CHLORO-|Acetophenone, a-chloro-|Agent CNB|Agent CNC|alpha-Chloroacetophenone|Benzoylmethyl chloride|BRN 0507950|Caswell No. 179C|Chemical mace|Chloracetophenone|Chloroacetophenone|Chloromethyl phenyl ketone|CN|EINECS 208-531-1|EPA Pesticide Chemical Code 018001|Ethanone, 2-chloro-1-phenyl-|NCI-C55107|NSC 41666|Phenacyl chloride|Phenacylchloride|Phenyl chloromethyl ketone|Phenylchloromethylketone|Tear gas|UN 1697|UNII-88B5039IQG|A-CHLORACETOPHENON|a-Chloroacetophenone|o-Chloroacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020293 https://doi.org/10.22427/NTP-DATA-DTXSID9020293
ERPathway2016 ERPathway2016_373 2-Chloroacetophenone 532-27-4 DTXSID9020293 ER Pathway Model, Agonist Call Inactive Unitless ClCC(=O)C1=CC=CC=C1 2-Chloroacetophenone 532-27-4|2-Chloroacetophenone|(2-Chloro-1-oxoethyl)benzene|(Chloroacetyl)benzene|1-Chloroacetophenone|1-Phenyl-2-chloro-1-ethanone|2-Chloracetophenon|2-Chloro-1-phenyl-1-ethanone|2-Chloro-1-phenyl-ethanone|2-Chloro-1-phenylethanone|2-cloroacetofenona|3'-Chloroacetophenone|4-07-00-00641|Acetophenone, 2-chloro-|ACETOPHENONE, CHLORO-|Acetophenone, a-chloro-|Agent CNB|Agent CNC|alpha-Chloroacetophenone|Benzoylmethyl chloride|BRN 0507950|Caswell No. 179C|Chemical mace|Chloracetophenone|Chloroacetophenone|Chloromethyl phenyl ketone|CN|EINECS 208-531-1|EPA Pesticide Chemical Code 018001|Ethanone, 2-chloro-1-phenyl-|NCI-C55107|NSC 41666|Phenacyl chloride|Phenacylchloride|Phenyl chloromethyl ketone|Phenylchloromethylketone|Tear gas|UN 1697|UNII-88B5039IQG|A-CHLORACETOPHENON|a-Chloroacetophenone|o-Chloroacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020293 https://doi.org/10.22427/NTP-DATA-DTXSID9020293
ERPathway2016 ERPathway2016_373 2-Chloroacetophenone 532-27-4 DTXSID9020293 ER Pathway Model, Antagonist Call Active Unitless ClCC(=O)C1=CC=CC=C1 2-Chloroacetophenone 532-27-4|2-Chloroacetophenone|(2-Chloro-1-oxoethyl)benzene|(Chloroacetyl)benzene|1-Chloroacetophenone|1-Phenyl-2-chloro-1-ethanone|2-Chloracetophenon|2-Chloro-1-phenyl-1-ethanone|2-Chloro-1-phenyl-ethanone|2-Chloro-1-phenylethanone|2-cloroacetofenona|3'-Chloroacetophenone|4-07-00-00641|Acetophenone, 2-chloro-|ACETOPHENONE, CHLORO-|Acetophenone, a-chloro-|Agent CNB|Agent CNC|alpha-Chloroacetophenone|Benzoylmethyl chloride|BRN 0507950|Caswell No. 179C|Chemical mace|Chloracetophenone|Chloroacetophenone|Chloromethyl phenyl ketone|CN|EINECS 208-531-1|EPA Pesticide Chemical Code 018001|Ethanone, 2-chloro-1-phenyl-|NCI-C55107|NSC 41666|Phenacyl chloride|Phenacylchloride|Phenyl chloromethyl ketone|Phenylchloromethylketone|Tear gas|UN 1697|UNII-88B5039IQG|A-CHLORACETOPHENON|a-Chloroacetophenone|o-Chloroacetophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020293 https://doi.org/10.22427/NTP-DATA-DTXSID9020293
ARPathway2016 ARPathway2016_486 2-Chloroethanol 107-07-3 DTXSID1021877 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCCCl 2-Chloroethanol 107-07-3|2-Chloroethanol|1-Chloro-2-hydroxyethane|2-Chloorethanol|2-CHLORAETHANOL|2-Chlorethanol|2-Chloro-1-ethanol|2-Chloro-1-hydroxyethane|2-Chloroethyl alcohol|2-cloroetanol|2-Cloroetanolo|2-Hydroxyethyl chloride|2-Monochloroethanol|4-01-00-01372|Aethylenechlorhydrin|beta-chloroethanol|beta-chloroethyl alcohol|beta-Hydroxyethyl chloride|BRN 0878139|Chloroethanol|Chloroethylowy alkohol|delta-Chloroethanol|delta-Chloroethanolchloroethylowy alkohol|EINECS 203-459-7|Ethanol, 2-chloro-|Ethene chlorohydrin|Ethene, chlorohydrin|Ethylchlorohydrin|Ethyleen-chloorhydrine|Ethylene chlorhydrin|Ethylene chlorohydrin|Ethylene glycol, chlorohydrin|Glicol monocloridrina|Glycol chlorohydrin|Glycol monochlorohydrin|Glycolmonochloorhydrine|Glycomonochlorhydrin|Monochlorhydrine du glycol|NCI-C50135|NSC 122289|UN 1135|UNII-753N66IHAN|b-Chloroethanol|b-Chloroethyl alcohol|b-Hydroxyethyl chloride|1253945-55-9|1867-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021877 https://doi.org/10.22427/NTP-DATA-DTXSID1021877
ARPathway2016 ARPathway2016_486 2-Chloroethanol 107-07-3 DTXSID1021877 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCCCl 2-Chloroethanol 107-07-3|2-Chloroethanol|1-Chloro-2-hydroxyethane|2-Chloorethanol|2-CHLORAETHANOL|2-Chlorethanol|2-Chloro-1-ethanol|2-Chloro-1-hydroxyethane|2-Chloroethyl alcohol|2-cloroetanol|2-Cloroetanolo|2-Hydroxyethyl chloride|2-Monochloroethanol|4-01-00-01372|Aethylenechlorhydrin|beta-chloroethanol|beta-chloroethyl alcohol|beta-Hydroxyethyl chloride|BRN 0878139|Chloroethanol|Chloroethylowy alkohol|delta-Chloroethanol|delta-Chloroethanolchloroethylowy alkohol|EINECS 203-459-7|Ethanol, 2-chloro-|Ethene chlorohydrin|Ethene, chlorohydrin|Ethylchlorohydrin|Ethyleen-chloorhydrine|Ethylene chlorhydrin|Ethylene chlorohydrin|Ethylene glycol, chlorohydrin|Glicol monocloridrina|Glycol chlorohydrin|Glycol monochlorohydrin|Glycolmonochloorhydrine|Glycomonochlorhydrin|Monochlorhydrine du glycol|NCI-C50135|NSC 122289|UN 1135|UNII-753N66IHAN|b-Chloroethanol|b-Chloroethyl alcohol|b-Hydroxyethyl chloride|1253945-55-9|1867-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021877 https://doi.org/10.22427/NTP-DATA-DTXSID1021877
ARPathway2016 ARPathway2016_486 2-Chloroethanol 107-07-3 DTXSID1021877 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCCCl 2-Chloroethanol 107-07-3|2-Chloroethanol|1-Chloro-2-hydroxyethane|2-Chloorethanol|2-CHLORAETHANOL|2-Chlorethanol|2-Chloro-1-ethanol|2-Chloro-1-hydroxyethane|2-Chloroethyl alcohol|2-cloroetanol|2-Cloroetanolo|2-Hydroxyethyl chloride|2-Monochloroethanol|4-01-00-01372|Aethylenechlorhydrin|beta-chloroethanol|beta-chloroethyl alcohol|beta-Hydroxyethyl chloride|BRN 0878139|Chloroethanol|Chloroethylowy alkohol|delta-Chloroethanol|delta-Chloroethanolchloroethylowy alkohol|EINECS 203-459-7|Ethanol, 2-chloro-|Ethene chlorohydrin|Ethene, chlorohydrin|Ethylchlorohydrin|Ethyleen-chloorhydrine|Ethylene chlorhydrin|Ethylene chlorohydrin|Ethylene glycol, chlorohydrin|Glicol monocloridrina|Glycol chlorohydrin|Glycol monochlorohydrin|Glycolmonochloorhydrine|Glycomonochlorhydrin|Monochlorhydrine du glycol|NCI-C50135|NSC 122289|UN 1135|UNII-753N66IHAN|b-Chloroethanol|b-Chloroethyl alcohol|b-Hydroxyethyl chloride|1253945-55-9|1867-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021877 https://doi.org/10.22427/NTP-DATA-DTXSID1021877
ARPathway2016 ARPathway2016_486 2-Chloroethanol 107-07-3 DTXSID1021877 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCCCl 2-Chloroethanol 107-07-3|2-Chloroethanol|1-Chloro-2-hydroxyethane|2-Chloorethanol|2-CHLORAETHANOL|2-Chlorethanol|2-Chloro-1-ethanol|2-Chloro-1-hydroxyethane|2-Chloroethyl alcohol|2-cloroetanol|2-Cloroetanolo|2-Hydroxyethyl chloride|2-Monochloroethanol|4-01-00-01372|Aethylenechlorhydrin|beta-chloroethanol|beta-chloroethyl alcohol|beta-Hydroxyethyl chloride|BRN 0878139|Chloroethanol|Chloroethylowy alkohol|delta-Chloroethanol|delta-Chloroethanolchloroethylowy alkohol|EINECS 203-459-7|Ethanol, 2-chloro-|Ethene chlorohydrin|Ethene, chlorohydrin|Ethylchlorohydrin|Ethyleen-chloorhydrine|Ethylene chlorhydrin|Ethylene chlorohydrin|Ethylene glycol, chlorohydrin|Glicol monocloridrina|Glycol chlorohydrin|Glycol monochlorohydrin|Glycolmonochloorhydrine|Glycomonochlorhydrin|Monochlorhydrine du glycol|NCI-C50135|NSC 122289|UN 1135|UNII-753N66IHAN|b-Chloroethanol|b-Chloroethyl alcohol|b-Hydroxyethyl chloride|1253945-55-9|1867-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021877 https://doi.org/10.22427/NTP-DATA-DTXSID1021877
ERPathway2016 ERPathway2016_1096 2-Chloroethanol 107-07-3 DTXSID1021877 ER Pathway Model, Agonist Model Score 0 Unitless OCCCl 2-Chloroethanol 107-07-3|2-Chloroethanol|1-Chloro-2-hydroxyethane|2-Chloorethanol|2-CHLORAETHANOL|2-Chlorethanol|2-Chloro-1-ethanol|2-Chloro-1-hydroxyethane|2-Chloroethyl alcohol|2-cloroetanol|2-Cloroetanolo|2-Hydroxyethyl chloride|2-Monochloroethanol|4-01-00-01372|Aethylenechlorhydrin|beta-chloroethanol|beta-chloroethyl alcohol|beta-Hydroxyethyl chloride|BRN 0878139|Chloroethanol|Chloroethylowy alkohol|delta-Chloroethanol|delta-Chloroethanolchloroethylowy alkohol|EINECS 203-459-7|Ethanol, 2-chloro-|Ethene chlorohydrin|Ethene, chlorohydrin|Ethylchlorohydrin|Ethyleen-chloorhydrine|Ethylene chlorhydrin|Ethylene chlorohydrin|Ethylene glycol, chlorohydrin|Glicol monocloridrina|Glycol chlorohydrin|Glycol monochlorohydrin|Glycolmonochloorhydrine|Glycomonochlorhydrin|Monochlorhydrine du glycol|NCI-C50135|NSC 122289|UN 1135|UNII-753N66IHAN|b-Chloroethanol|b-Chloroethyl alcohol|b-Hydroxyethyl chloride|1253945-55-9|1867-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021877 https://doi.org/10.22427/NTP-DATA-DTXSID1021877
ERPathway2016 ERPathway2016_1096 2-Chloroethanol 107-07-3 DTXSID1021877 ER Pathway Model, Antagonist Model Score 0 Unitless OCCCl 2-Chloroethanol 107-07-3|2-Chloroethanol|1-Chloro-2-hydroxyethane|2-Chloorethanol|2-CHLORAETHANOL|2-Chlorethanol|2-Chloro-1-ethanol|2-Chloro-1-hydroxyethane|2-Chloroethyl alcohol|2-cloroetanol|2-Cloroetanolo|2-Hydroxyethyl chloride|2-Monochloroethanol|4-01-00-01372|Aethylenechlorhydrin|beta-chloroethanol|beta-chloroethyl alcohol|beta-Hydroxyethyl chloride|BRN 0878139|Chloroethanol|Chloroethylowy alkohol|delta-Chloroethanol|delta-Chloroethanolchloroethylowy alkohol|EINECS 203-459-7|Ethanol, 2-chloro-|Ethene chlorohydrin|Ethene, chlorohydrin|Ethylchlorohydrin|Ethyleen-chloorhydrine|Ethylene chlorhydrin|Ethylene chlorohydrin|Ethylene glycol, chlorohydrin|Glicol monocloridrina|Glycol chlorohydrin|Glycol monochlorohydrin|Glycolmonochloorhydrine|Glycomonochlorhydrin|Monochlorhydrine du glycol|NCI-C50135|NSC 122289|UN 1135|UNII-753N66IHAN|b-Chloroethanol|b-Chloroethyl alcohol|b-Hydroxyethyl chloride|1253945-55-9|1867-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021877 https://doi.org/10.22427/NTP-DATA-DTXSID1021877
ERPathway2016 ERPathway2016_1096 2-Chloroethanol 107-07-3 DTXSID1021877 ER Pathway Model, Agonist Call Inactive Unitless OCCCl 2-Chloroethanol 107-07-3|2-Chloroethanol|1-Chloro-2-hydroxyethane|2-Chloorethanol|2-CHLORAETHANOL|2-Chlorethanol|2-Chloro-1-ethanol|2-Chloro-1-hydroxyethane|2-Chloroethyl alcohol|2-cloroetanol|2-Cloroetanolo|2-Hydroxyethyl chloride|2-Monochloroethanol|4-01-00-01372|Aethylenechlorhydrin|beta-chloroethanol|beta-chloroethyl alcohol|beta-Hydroxyethyl chloride|BRN 0878139|Chloroethanol|Chloroethylowy alkohol|delta-Chloroethanol|delta-Chloroethanolchloroethylowy alkohol|EINECS 203-459-7|Ethanol, 2-chloro-|Ethene chlorohydrin|Ethene, chlorohydrin|Ethylchlorohydrin|Ethyleen-chloorhydrine|Ethylene chlorhydrin|Ethylene chlorohydrin|Ethylene glycol, chlorohydrin|Glicol monocloridrina|Glycol chlorohydrin|Glycol monochlorohydrin|Glycolmonochloorhydrine|Glycomonochlorhydrin|Monochlorhydrine du glycol|NCI-C50135|NSC 122289|UN 1135|UNII-753N66IHAN|b-Chloroethanol|b-Chloroethyl alcohol|b-Hydroxyethyl chloride|1253945-55-9|1867-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021877 https://doi.org/10.22427/NTP-DATA-DTXSID1021877
ERPathway2016 ERPathway2016_1096 2-Chloroethanol 107-07-3 DTXSID1021877 ER Pathway Model, Antagonist Call Inactive Unitless OCCCl 2-Chloroethanol 107-07-3|2-Chloroethanol|1-Chloro-2-hydroxyethane|2-Chloorethanol|2-CHLORAETHANOL|2-Chlorethanol|2-Chloro-1-ethanol|2-Chloro-1-hydroxyethane|2-Chloroethyl alcohol|2-cloroetanol|2-Cloroetanolo|2-Hydroxyethyl chloride|2-Monochloroethanol|4-01-00-01372|Aethylenechlorhydrin|beta-chloroethanol|beta-chloroethyl alcohol|beta-Hydroxyethyl chloride|BRN 0878139|Chloroethanol|Chloroethylowy alkohol|delta-Chloroethanol|delta-Chloroethanolchloroethylowy alkohol|EINECS 203-459-7|Ethanol, 2-chloro-|Ethene chlorohydrin|Ethene, chlorohydrin|Ethylchlorohydrin|Ethyleen-chloorhydrine|Ethylene chlorhydrin|Ethylene chlorohydrin|Ethylene glycol, chlorohydrin|Glicol monocloridrina|Glycol chlorohydrin|Glycol monochlorohydrin|Glycolmonochloorhydrine|Glycomonochlorhydrin|Monochlorhydrine du glycol|NCI-C50135|NSC 122289|UN 1135|UNII-753N66IHAN|b-Chloroethanol|b-Chloroethyl alcohol|b-Hydroxyethyl chloride|1253945-55-9|1867-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021877 https://doi.org/10.22427/NTP-DATA-DTXSID1021877
ARPathway2016 ARPathway2016_224 2-Chloro-N-phenylacetamide 587-65-5 DTXSID3041409 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 29.38345682 uM ClCC(=O)NC1=CC=CC=C1 2-Chloro-N-phenylacetamide 587-65-5|2-Chloro-N-phenylacetamide|2-Chloroacetanilide (2-Chloro-N-phenylacetamide)|BRN 0509684|Chloroacetanilide|EINECS 209-604-0|N-Phenyl-2-chloroacetamide|N-Phenylchloroacetamide|NSC 311|UNII-2R6RM9R0W8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041409
ARPathway2016 ARPathway2016_224 2-Chloro-N-phenylacetamide 587-65-5 DTXSID3041409 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 26.8332379054144 uM ClCC(=O)NC1=CC=CC=C1 2-Chloro-N-phenylacetamide 587-65-5|2-Chloro-N-phenylacetamide|2-Chloroacetanilide (2-Chloro-N-phenylacetamide)|BRN 0509684|Chloroacetanilide|EINECS 209-604-0|N-Phenyl-2-chloroacetamide|N-Phenylchloroacetamide|NSC 311|UNII-2R6RM9R0W8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041409
ARPathway2016 ARPathway2016_224 2-Chloro-N-phenylacetamide 587-65-5 DTXSID3041409 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.134 Unitless ClCC(=O)NC1=CC=CC=C1 2-Chloro-N-phenylacetamide 587-65-5|2-Chloro-N-phenylacetamide|2-Chloroacetanilide (2-Chloro-N-phenylacetamide)|BRN 0509684|Chloroacetanilide|EINECS 209-604-0|N-Phenyl-2-chloroacetamide|N-Phenylchloroacetamide|NSC 311|UNII-2R6RM9R0W8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041409
ARPathway2016 ARPathway2016_224 2-Chloro-N-phenylacetamide 587-65-5 DTXSID3041409 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClCC(=O)NC1=CC=CC=C1 2-Chloro-N-phenylacetamide 587-65-5|2-Chloro-N-phenylacetamide|2-Chloroacetanilide (2-Chloro-N-phenylacetamide)|BRN 0509684|Chloroacetanilide|EINECS 209-604-0|N-Phenyl-2-chloroacetamide|N-Phenylchloroacetamide|NSC 311|UNII-2R6RM9R0W8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041409
ARPathway2016 ARPathway2016_224 2-Chloro-N-phenylacetamide 587-65-5 DTXSID3041409 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClCC(=O)NC1=CC=CC=C1 2-Chloro-N-phenylacetamide 587-65-5|2-Chloro-N-phenylacetamide|2-Chloroacetanilide (2-Chloro-N-phenylacetamide)|BRN 0509684|Chloroacetanilide|EINECS 209-604-0|N-Phenyl-2-chloroacetamide|N-Phenylchloroacetamide|NSC 311|UNII-2R6RM9R0W8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041409
ARPathway2016 ARPathway2016_224 2-Chloro-N-phenylacetamide 587-65-5 DTXSID3041409 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClCC(=O)NC1=CC=CC=C1 2-Chloro-N-phenylacetamide 587-65-5|2-Chloro-N-phenylacetamide|2-Chloroacetanilide (2-Chloro-N-phenylacetamide)|BRN 0509684|Chloroacetanilide|EINECS 209-604-0|N-Phenyl-2-chloroacetamide|N-Phenylchloroacetamide|NSC 311|UNII-2R6RM9R0W8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041409
ERPathway2016 ERPathway2016_141 2-Chloro-N-phenylacetamide 587-65-5 DTXSID3041409 ER Pathway Model, Agonist AC50 49.3331284692003 uM ClCC(=O)NC1=CC=CC=C1 2-Chloro-N-phenylacetamide 587-65-5|2-Chloro-N-phenylacetamide|2-Chloroacetanilide (2-Chloro-N-phenylacetamide)|BRN 0509684|Chloroacetanilide|EINECS 209-604-0|N-Phenyl-2-chloroacetamide|N-Phenylchloroacetamide|NSC 311|UNII-2R6RM9R0W8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041409
ERPathway2016 ERPathway2016_141 2-Chloro-N-phenylacetamide 587-65-5 DTXSID3041409 ER Pathway Model, Agonist ACC 50.8043939684473 uM ClCC(=O)NC1=CC=CC=C1 2-Chloro-N-phenylacetamide 587-65-5|2-Chloro-N-phenylacetamide|2-Chloroacetanilide (2-Chloro-N-phenylacetamide)|BRN 0509684|Chloroacetanilide|EINECS 209-604-0|N-Phenyl-2-chloroacetamide|N-Phenylchloroacetamide|NSC 311|UNII-2R6RM9R0W8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041409
ERPathway2016 ERPathway2016_141 2-Chloro-N-phenylacetamide 587-65-5 DTXSID3041409 ER Pathway Model, Agonist Model Score 0 Unitless ClCC(=O)NC1=CC=CC=C1 2-Chloro-N-phenylacetamide 587-65-5|2-Chloro-N-phenylacetamide|2-Chloroacetanilide (2-Chloro-N-phenylacetamide)|BRN 0509684|Chloroacetanilide|EINECS 209-604-0|N-Phenyl-2-chloroacetamide|N-Phenylchloroacetamide|NSC 311|UNII-2R6RM9R0W8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041409
ERPathway2016 ERPathway2016_141 2-Chloro-N-phenylacetamide 587-65-5 DTXSID3041409 ER Pathway Model, Antagonist Model Score 0.00669 Unitless ClCC(=O)NC1=CC=CC=C1 2-Chloro-N-phenylacetamide 587-65-5|2-Chloro-N-phenylacetamide|2-Chloroacetanilide (2-Chloro-N-phenylacetamide)|BRN 0509684|Chloroacetanilide|EINECS 209-604-0|N-Phenyl-2-chloroacetamide|N-Phenylchloroacetamide|NSC 311|UNII-2R6RM9R0W8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041409
ERPathway2016 ERPathway2016_141 2-Chloro-N-phenylacetamide 587-65-5 DTXSID3041409 ER Pathway Model, Agonist Call Active Unitless ClCC(=O)NC1=CC=CC=C1 2-Chloro-N-phenylacetamide 587-65-5|2-Chloro-N-phenylacetamide|2-Chloroacetanilide (2-Chloro-N-phenylacetamide)|BRN 0509684|Chloroacetanilide|EINECS 209-604-0|N-Phenyl-2-chloroacetamide|N-Phenylchloroacetamide|NSC 311|UNII-2R6RM9R0W8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041409
ERPathway2016 ERPathway2016_141 2-Chloro-N-phenylacetamide 587-65-5 DTXSID3041409 ER Pathway Model, Antagonist Call Inactive Unitless ClCC(=O)NC1=CC=CC=C1 2-Chloro-N-phenylacetamide 587-65-5|2-Chloro-N-phenylacetamide|2-Chloroacetanilide (2-Chloro-N-phenylacetamide)|BRN 0509684|Chloroacetanilide|EINECS 209-604-0|N-Phenyl-2-chloroacetamide|N-Phenylchloroacetamide|NSC 311|UNII-2R6RM9R0W8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041409
ARPathway2016 ARPathway2016_1763 2-Chlorophenol 95-57-8 DTXSID5021544 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=CC=C1Cl 2-Chlorophenol 95-57-8|2-Chlorophenol|1-Chloro-2-hydroxybenzene|2-Chloro-1-hydroxybenzene|2-Chlorphenol|2-clorofenol|2-Hydroxychlorobenzene|Caswell No. 203|EINECS 202-433-2|EPA Pesticide Chemical Code 062204|Metabolite of fluoxastrobin (M82)|NSC 2870|NSC 5725|o-Chlorophenic acid|o-Chlorophenol|o-Chlorphenol|Phenol, 2-chloro-|Phenol, o-chloro-|Pine-O Disinfectant|RCRA waste number U048|Septi-Kleen|UN 2904|UNII-K9KAV4K6BN https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021544 https://doi.org/10.22427/NTP-DATA-DTXSID5021544
ARPathway2016 ARPathway2016_1763 2-Chlorophenol 95-57-8 DTXSID5021544 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=CC=C1Cl 2-Chlorophenol 95-57-8|2-Chlorophenol|1-Chloro-2-hydroxybenzene|2-Chloro-1-hydroxybenzene|2-Chlorphenol|2-clorofenol|2-Hydroxychlorobenzene|Caswell No. 203|EINECS 202-433-2|EPA Pesticide Chemical Code 062204|Metabolite of fluoxastrobin (M82)|NSC 2870|NSC 5725|o-Chlorophenic acid|o-Chlorophenol|o-Chlorphenol|Phenol, 2-chloro-|Phenol, o-chloro-|Pine-O Disinfectant|RCRA waste number U048|Septi-Kleen|UN 2904|UNII-K9KAV4K6BN https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021544 https://doi.org/10.22427/NTP-DATA-DTXSID5021544
ARPathway2016 ARPathway2016_1763 2-Chlorophenol 95-57-8 DTXSID5021544 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC=CC=C1Cl 2-Chlorophenol 95-57-8|2-Chlorophenol|1-Chloro-2-hydroxybenzene|2-Chloro-1-hydroxybenzene|2-Chlorphenol|2-clorofenol|2-Hydroxychlorobenzene|Caswell No. 203|EINECS 202-433-2|EPA Pesticide Chemical Code 062204|Metabolite of fluoxastrobin (M82)|NSC 2870|NSC 5725|o-Chlorophenic acid|o-Chlorophenol|o-Chlorphenol|Phenol, 2-chloro-|Phenol, o-chloro-|Pine-O Disinfectant|RCRA waste number U048|Septi-Kleen|UN 2904|UNII-K9KAV4K6BN https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021544 https://doi.org/10.22427/NTP-DATA-DTXSID5021544
ARPathway2016 ARPathway2016_1763 2-Chlorophenol 95-57-8 DTXSID5021544 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=CC=C1Cl 2-Chlorophenol 95-57-8|2-Chlorophenol|1-Chloro-2-hydroxybenzene|2-Chloro-1-hydroxybenzene|2-Chlorphenol|2-clorofenol|2-Hydroxychlorobenzene|Caswell No. 203|EINECS 202-433-2|EPA Pesticide Chemical Code 062204|Metabolite of fluoxastrobin (M82)|NSC 2870|NSC 5725|o-Chlorophenic acid|o-Chlorophenol|o-Chlorphenol|Phenol, 2-chloro-|Phenol, o-chloro-|Pine-O Disinfectant|RCRA waste number U048|Septi-Kleen|UN 2904|UNII-K9KAV4K6BN https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021544 https://doi.org/10.22427/NTP-DATA-DTXSID5021544
ERPathway2016 ERPathway2016_1769 2-Chlorophenol 95-57-8 DTXSID5021544 ER Pathway Model, Agonist Model Score 0 Unitless OC1=CC=CC=C1Cl 2-Chlorophenol 95-57-8|2-Chlorophenol|1-Chloro-2-hydroxybenzene|2-Chloro-1-hydroxybenzene|2-Chlorphenol|2-clorofenol|2-Hydroxychlorobenzene|Caswell No. 203|EINECS 202-433-2|EPA Pesticide Chemical Code 062204|Metabolite of fluoxastrobin (M82)|NSC 2870|NSC 5725|o-Chlorophenic acid|o-Chlorophenol|o-Chlorphenol|Phenol, 2-chloro-|Phenol, o-chloro-|Pine-O Disinfectant|RCRA waste number U048|Septi-Kleen|UN 2904|UNII-K9KAV4K6BN https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021544 https://doi.org/10.22427/NTP-DATA-DTXSID5021544
ERPathway2016 ERPathway2016_1769 2-Chlorophenol 95-57-8 DTXSID5021544 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=CC=C1Cl 2-Chlorophenol 95-57-8|2-Chlorophenol|1-Chloro-2-hydroxybenzene|2-Chloro-1-hydroxybenzene|2-Chlorphenol|2-clorofenol|2-Hydroxychlorobenzene|Caswell No. 203|EINECS 202-433-2|EPA Pesticide Chemical Code 062204|Metabolite of fluoxastrobin (M82)|NSC 2870|NSC 5725|o-Chlorophenic acid|o-Chlorophenol|o-Chlorphenol|Phenol, 2-chloro-|Phenol, o-chloro-|Pine-O Disinfectant|RCRA waste number U048|Septi-Kleen|UN 2904|UNII-K9KAV4K6BN https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021544 https://doi.org/10.22427/NTP-DATA-DTXSID5021544
ERPathway2016 ERPathway2016_1769 2-Chlorophenol 95-57-8 DTXSID5021544 ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=CC=C1Cl 2-Chlorophenol 95-57-8|2-Chlorophenol|1-Chloro-2-hydroxybenzene|2-Chloro-1-hydroxybenzene|2-Chlorphenol|2-clorofenol|2-Hydroxychlorobenzene|Caswell No. 203|EINECS 202-433-2|EPA Pesticide Chemical Code 062204|Metabolite of fluoxastrobin (M82)|NSC 2870|NSC 5725|o-Chlorophenic acid|o-Chlorophenol|o-Chlorphenol|Phenol, 2-chloro-|Phenol, o-chloro-|Pine-O Disinfectant|RCRA waste number U048|Septi-Kleen|UN 2904|UNII-K9KAV4K6BN https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021544 https://doi.org/10.22427/NTP-DATA-DTXSID5021544
ERPathway2016 ERPathway2016_1769 2-Chlorophenol 95-57-8 DTXSID5021544 ER Pathway Model, Antagonist Call Inactive Unitless OC1=CC=CC=C1Cl 2-Chlorophenol 95-57-8|2-Chlorophenol|1-Chloro-2-hydroxybenzene|2-Chloro-1-hydroxybenzene|2-Chlorphenol|2-clorofenol|2-Hydroxychlorobenzene|Caswell No. 203|EINECS 202-433-2|EPA Pesticide Chemical Code 062204|Metabolite of fluoxastrobin (M82)|NSC 2870|NSC 5725|o-Chlorophenic acid|o-Chlorophenol|o-Chlorphenol|Phenol, 2-chloro-|Phenol, o-chloro-|Pine-O Disinfectant|RCRA waste number U048|Septi-Kleen|UN 2904|UNII-K9KAV4K6BN https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021544 https://doi.org/10.22427/NTP-DATA-DTXSID5021544
ARPathway2016 ARPathway2016_1759 2-Chlorotoluene 95-49-8 DTXSID8023977 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(Cl)C=CC=C1 2-Chlorotoluene 95-49-8|2-Chlorotoluene|1-Chloro-2-methylbenzene|1-Methyl-2-chlorobenzene|2-Chloro-1-methylbenzene|2-Chlortoluol|2-clorotolueno|2-Methylchlorobenzene|2-Methylphenyl chloride|2-Tolyl chloride|4-05-00-00805|BENZENE, 1-CHLORO-2-METHYL|Benzene, 1-chloro-2-methyl-|BRN 1904175|EINECS 202-424-3|NSC 8766|o-Chlorotoluene|o-Methylchlorobenzene|o-Tolyl chloride|ortho-Chlorotoluene|TOLUENE, 2-CHLORO-|Toluene, o-chloro-|UNII-2G7D0YDV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023977
ARPathway2016 ARPathway2016_1759 2-Chlorotoluene 95-49-8 DTXSID8023977 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(Cl)C=CC=C1 2-Chlorotoluene 95-49-8|2-Chlorotoluene|1-Chloro-2-methylbenzene|1-Methyl-2-chlorobenzene|2-Chloro-1-methylbenzene|2-Chlortoluol|2-clorotolueno|2-Methylchlorobenzene|2-Methylphenyl chloride|2-Tolyl chloride|4-05-00-00805|BENZENE, 1-CHLORO-2-METHYL|Benzene, 1-chloro-2-methyl-|BRN 1904175|EINECS 202-424-3|NSC 8766|o-Chlorotoluene|o-Methylchlorobenzene|o-Tolyl chloride|ortho-Chlorotoluene|TOLUENE, 2-CHLORO-|Toluene, o-chloro-|UNII-2G7D0YDV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023977
ARPathway2016 ARPathway2016_1759 2-Chlorotoluene 95-49-8 DTXSID8023977 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(Cl)C=CC=C1 2-Chlorotoluene 95-49-8|2-Chlorotoluene|1-Chloro-2-methylbenzene|1-Methyl-2-chlorobenzene|2-Chloro-1-methylbenzene|2-Chlortoluol|2-clorotolueno|2-Methylchlorobenzene|2-Methylphenyl chloride|2-Tolyl chloride|4-05-00-00805|BENZENE, 1-CHLORO-2-METHYL|Benzene, 1-chloro-2-methyl-|BRN 1904175|EINECS 202-424-3|NSC 8766|o-Chlorotoluene|o-Methylchlorobenzene|o-Tolyl chloride|ortho-Chlorotoluene|TOLUENE, 2-CHLORO-|Toluene, o-chloro-|UNII-2G7D0YDV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023977
ARPathway2016 ARPathway2016_1759 2-Chlorotoluene 95-49-8 DTXSID8023977 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(Cl)C=CC=C1 2-Chlorotoluene 95-49-8|2-Chlorotoluene|1-Chloro-2-methylbenzene|1-Methyl-2-chlorobenzene|2-Chloro-1-methylbenzene|2-Chlortoluol|2-clorotolueno|2-Methylchlorobenzene|2-Methylphenyl chloride|2-Tolyl chloride|4-05-00-00805|BENZENE, 1-CHLORO-2-METHYL|Benzene, 1-chloro-2-methyl-|BRN 1904175|EINECS 202-424-3|NSC 8766|o-Chlorotoluene|o-Methylchlorobenzene|o-Tolyl chloride|ortho-Chlorotoluene|TOLUENE, 2-CHLORO-|Toluene, o-chloro-|UNII-2G7D0YDV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023977
ERPathway2016 ERPathway2016_1766 2-Chlorotoluene 95-49-8 DTXSID8023977 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(Cl)C=CC=C1 2-Chlorotoluene 95-49-8|2-Chlorotoluene|1-Chloro-2-methylbenzene|1-Methyl-2-chlorobenzene|2-Chloro-1-methylbenzene|2-Chlortoluol|2-clorotolueno|2-Methylchlorobenzene|2-Methylphenyl chloride|2-Tolyl chloride|4-05-00-00805|BENZENE, 1-CHLORO-2-METHYL|Benzene, 1-chloro-2-methyl-|BRN 1904175|EINECS 202-424-3|NSC 8766|o-Chlorotoluene|o-Methylchlorobenzene|o-Tolyl chloride|ortho-Chlorotoluene|TOLUENE, 2-CHLORO-|Toluene, o-chloro-|UNII-2G7D0YDV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023977
ERPathway2016 ERPathway2016_1766 2-Chlorotoluene 95-49-8 DTXSID8023977 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(Cl)C=CC=C1 2-Chlorotoluene 95-49-8|2-Chlorotoluene|1-Chloro-2-methylbenzene|1-Methyl-2-chlorobenzene|2-Chloro-1-methylbenzene|2-Chlortoluol|2-clorotolueno|2-Methylchlorobenzene|2-Methylphenyl chloride|2-Tolyl chloride|4-05-00-00805|BENZENE, 1-CHLORO-2-METHYL|Benzene, 1-chloro-2-methyl-|BRN 1904175|EINECS 202-424-3|NSC 8766|o-Chlorotoluene|o-Methylchlorobenzene|o-Tolyl chloride|ortho-Chlorotoluene|TOLUENE, 2-CHLORO-|Toluene, o-chloro-|UNII-2G7D0YDV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023977
ERPathway2016 ERPathway2016_1766 2-Chlorotoluene 95-49-8 DTXSID8023977 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(Cl)C=CC=C1 2-Chlorotoluene 95-49-8|2-Chlorotoluene|1-Chloro-2-methylbenzene|1-Methyl-2-chlorobenzene|2-Chloro-1-methylbenzene|2-Chlortoluol|2-clorotolueno|2-Methylchlorobenzene|2-Methylphenyl chloride|2-Tolyl chloride|4-05-00-00805|BENZENE, 1-CHLORO-2-METHYL|Benzene, 1-chloro-2-methyl-|BRN 1904175|EINECS 202-424-3|NSC 8766|o-Chlorotoluene|o-Methylchlorobenzene|o-Tolyl chloride|ortho-Chlorotoluene|TOLUENE, 2-CHLORO-|Toluene, o-chloro-|UNII-2G7D0YDV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023977
ERPathway2016 ERPathway2016_1766 2-Chlorotoluene 95-49-8 DTXSID8023977 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(Cl)C=CC=C1 2-Chlorotoluene 95-49-8|2-Chlorotoluene|1-Chloro-2-methylbenzene|1-Methyl-2-chlorobenzene|2-Chloro-1-methylbenzene|2-Chlortoluol|2-clorotolueno|2-Methylchlorobenzene|2-Methylphenyl chloride|2-Tolyl chloride|4-05-00-00805|BENZENE, 1-CHLORO-2-METHYL|Benzene, 1-chloro-2-methyl-|BRN 1904175|EINECS 202-424-3|NSC 8766|o-Chlorotoluene|o-Methylchlorobenzene|o-Tolyl chloride|ortho-Chlorotoluene|TOLUENE, 2-CHLORO-|Toluene, o-chloro-|UNII-2G7D0YDV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023977
ARPathway2016 ARPathway2016_926 2-Cloroethylphosphonic acid 16672-87-0 DTXSID7024085 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OP(O)(=O)CCCl 2-Cloroethylphosphonic acid 16672-87-0|2-Cloroethylphosphonic acid|(2-CHLORAETHYL)-PHOSPHONSAEURE|(2-Chloroethyl)phosphonic acid|2-Cepa|2-Chloraethyl-phosphonsaeure|2-Chlorethylphosphonsaure|2-Chloroethanephosphonic acid|2-chloroethylphosphonic acid|acide 2-chloroethylphosphonique|Acide chloro-2-ethyl-phosphonique|acido 2-cloroetilfosfonico|Amchem 68-250|BRN 1751208|Bromeflor|Bromoflor|Camposan|Camposan M|Caswell No. 426A|Chipco Florel PRO|Chlorethephon|Chloroethylphosphonic acid|Dextrel M|Direphon|EINECS 240-718-3|EPA Pesticide Chemical Code 099801|Ethefon|Ethephon|Ethepon|Etheverse|Ethrel C|Flordimex|Flordimex T|Flordimex TM|Florel Plant Growth|Floridex|Fruitel|Hevetex|Kamposan|MATURE-AIDE|P-(2-Chloroethyl)phosphonic acid|Phosphonic acid, (2-chloroethyl)-|Phosphonic acid, P-(2-chloroethyl)-|Roll-Fruct|Romtrel|Super Boll|Tomathrel|UNII-XU5R5VQ87S|b-Chloroethylphosphonic acid|55600-37-8|60704-17-8|73020-07-2|82375-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024085
ARPathway2016 ARPathway2016_926 2-Cloroethylphosphonic acid 16672-87-0 DTXSID7024085 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OP(O)(=O)CCCl 2-Cloroethylphosphonic acid 16672-87-0|2-Cloroethylphosphonic acid|(2-CHLORAETHYL)-PHOSPHONSAEURE|(2-Chloroethyl)phosphonic acid|2-Cepa|2-Chloraethyl-phosphonsaeure|2-Chlorethylphosphonsaure|2-Chloroethanephosphonic acid|2-chloroethylphosphonic acid|acide 2-chloroethylphosphonique|Acide chloro-2-ethyl-phosphonique|acido 2-cloroetilfosfonico|Amchem 68-250|BRN 1751208|Bromeflor|Bromoflor|Camposan|Camposan M|Caswell No. 426A|Chipco Florel PRO|Chlorethephon|Chloroethylphosphonic acid|Dextrel M|Direphon|EINECS 240-718-3|EPA Pesticide Chemical Code 099801|Ethefon|Ethephon|Ethepon|Etheverse|Ethrel C|Flordimex|Flordimex T|Flordimex TM|Florel Plant Growth|Floridex|Fruitel|Hevetex|Kamposan|MATURE-AIDE|P-(2-Chloroethyl)phosphonic acid|Phosphonic acid, (2-chloroethyl)-|Phosphonic acid, P-(2-chloroethyl)-|Roll-Fruct|Romtrel|Super Boll|Tomathrel|UNII-XU5R5VQ87S|b-Chloroethylphosphonic acid|55600-37-8|60704-17-8|73020-07-2|82375-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024085
ARPathway2016 ARPathway2016_926 2-Cloroethylphosphonic acid 16672-87-0 DTXSID7024085 0.0 AR Pathway Model, Agonist Call Inactive Unitless OP(O)(=O)CCCl 2-Cloroethylphosphonic acid 16672-87-0|2-Cloroethylphosphonic acid|(2-CHLORAETHYL)-PHOSPHONSAEURE|(2-Chloroethyl)phosphonic acid|2-Cepa|2-Chloraethyl-phosphonsaeure|2-Chlorethylphosphonsaure|2-Chloroethanephosphonic acid|2-chloroethylphosphonic acid|acide 2-chloroethylphosphonique|Acide chloro-2-ethyl-phosphonique|acido 2-cloroetilfosfonico|Amchem 68-250|BRN 1751208|Bromeflor|Bromoflor|Camposan|Camposan M|Caswell No. 426A|Chipco Florel PRO|Chlorethephon|Chloroethylphosphonic acid|Dextrel M|Direphon|EINECS 240-718-3|EPA Pesticide Chemical Code 099801|Ethefon|Ethephon|Ethepon|Etheverse|Ethrel C|Flordimex|Flordimex T|Flordimex TM|Florel Plant Growth|Floridex|Fruitel|Hevetex|Kamposan|MATURE-AIDE|P-(2-Chloroethyl)phosphonic acid|Phosphonic acid, (2-chloroethyl)-|Phosphonic acid, P-(2-chloroethyl)-|Roll-Fruct|Romtrel|Super Boll|Tomathrel|UNII-XU5R5VQ87S|b-Chloroethylphosphonic acid|55600-37-8|60704-17-8|73020-07-2|82375-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024085
ARPathway2016 ARPathway2016_926 2-Cloroethylphosphonic acid 16672-87-0 DTXSID7024085 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OP(O)(=O)CCCl 2-Cloroethylphosphonic acid 16672-87-0|2-Cloroethylphosphonic acid|(2-CHLORAETHYL)-PHOSPHONSAEURE|(2-Chloroethyl)phosphonic acid|2-Cepa|2-Chloraethyl-phosphonsaeure|2-Chlorethylphosphonsaure|2-Chloroethanephosphonic acid|2-chloroethylphosphonic acid|acide 2-chloroethylphosphonique|Acide chloro-2-ethyl-phosphonique|acido 2-cloroetilfosfonico|Amchem 68-250|BRN 1751208|Bromeflor|Bromoflor|Camposan|Camposan M|Caswell No. 426A|Chipco Florel PRO|Chlorethephon|Chloroethylphosphonic acid|Dextrel M|Direphon|EINECS 240-718-3|EPA Pesticide Chemical Code 099801|Ethefon|Ethephon|Ethepon|Etheverse|Ethrel C|Flordimex|Flordimex T|Flordimex TM|Florel Plant Growth|Floridex|Fruitel|Hevetex|Kamposan|MATURE-AIDE|P-(2-Chloroethyl)phosphonic acid|Phosphonic acid, (2-chloroethyl)-|Phosphonic acid, P-(2-chloroethyl)-|Roll-Fruct|Romtrel|Super Boll|Tomathrel|UNII-XU5R5VQ87S|b-Chloroethylphosphonic acid|55600-37-8|60704-17-8|73020-07-2|82375-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024085
ERPathway2016 ERPathway2016_1341 2-Cloroethylphosphonic acid 16672-87-0 DTXSID7024085 ER Pathway Model, Agonist Model Score 0 Unitless OP(O)(=O)CCCl 2-Cloroethylphosphonic acid 16672-87-0|2-Cloroethylphosphonic acid|(2-CHLORAETHYL)-PHOSPHONSAEURE|(2-Chloroethyl)phosphonic acid|2-Cepa|2-Chloraethyl-phosphonsaeure|2-Chlorethylphosphonsaure|2-Chloroethanephosphonic acid|2-chloroethylphosphonic acid|acide 2-chloroethylphosphonique|Acide chloro-2-ethyl-phosphonique|acido 2-cloroetilfosfonico|Amchem 68-250|BRN 1751208|Bromeflor|Bromoflor|Camposan|Camposan M|Caswell No. 426A|Chipco Florel PRO|Chlorethephon|Chloroethylphosphonic acid|Dextrel M|Direphon|EINECS 240-718-3|EPA Pesticide Chemical Code 099801|Ethefon|Ethephon|Ethepon|Etheverse|Ethrel C|Flordimex|Flordimex T|Flordimex TM|Florel Plant Growth|Floridex|Fruitel|Hevetex|Kamposan|MATURE-AIDE|P-(2-Chloroethyl)phosphonic acid|Phosphonic acid, (2-chloroethyl)-|Phosphonic acid, P-(2-chloroethyl)-|Roll-Fruct|Romtrel|Super Boll|Tomathrel|UNII-XU5R5VQ87S|b-Chloroethylphosphonic acid|55600-37-8|60704-17-8|73020-07-2|82375-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024085
ERPathway2016 ERPathway2016_1341 2-Cloroethylphosphonic acid 16672-87-0 DTXSID7024085 ER Pathway Model, Antagonist Model Score 0 Unitless OP(O)(=O)CCCl 2-Cloroethylphosphonic acid 16672-87-0|2-Cloroethylphosphonic acid|(2-CHLORAETHYL)-PHOSPHONSAEURE|(2-Chloroethyl)phosphonic acid|2-Cepa|2-Chloraethyl-phosphonsaeure|2-Chlorethylphosphonsaure|2-Chloroethanephosphonic acid|2-chloroethylphosphonic acid|acide 2-chloroethylphosphonique|Acide chloro-2-ethyl-phosphonique|acido 2-cloroetilfosfonico|Amchem 68-250|BRN 1751208|Bromeflor|Bromoflor|Camposan|Camposan M|Caswell No. 426A|Chipco Florel PRO|Chlorethephon|Chloroethylphosphonic acid|Dextrel M|Direphon|EINECS 240-718-3|EPA Pesticide Chemical Code 099801|Ethefon|Ethephon|Ethepon|Etheverse|Ethrel C|Flordimex|Flordimex T|Flordimex TM|Florel Plant Growth|Floridex|Fruitel|Hevetex|Kamposan|MATURE-AIDE|P-(2-Chloroethyl)phosphonic acid|Phosphonic acid, (2-chloroethyl)-|Phosphonic acid, P-(2-chloroethyl)-|Roll-Fruct|Romtrel|Super Boll|Tomathrel|UNII-XU5R5VQ87S|b-Chloroethylphosphonic acid|55600-37-8|60704-17-8|73020-07-2|82375-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024085
ERPathway2016 ERPathway2016_1341 2-Cloroethylphosphonic acid 16672-87-0 DTXSID7024085 ER Pathway Model, Agonist Call Inactive Unitless OP(O)(=O)CCCl 2-Cloroethylphosphonic acid 16672-87-0|2-Cloroethylphosphonic acid|(2-CHLORAETHYL)-PHOSPHONSAEURE|(2-Chloroethyl)phosphonic acid|2-Cepa|2-Chloraethyl-phosphonsaeure|2-Chlorethylphosphonsaure|2-Chloroethanephosphonic acid|2-chloroethylphosphonic acid|acide 2-chloroethylphosphonique|Acide chloro-2-ethyl-phosphonique|acido 2-cloroetilfosfonico|Amchem 68-250|BRN 1751208|Bromeflor|Bromoflor|Camposan|Camposan M|Caswell No. 426A|Chipco Florel PRO|Chlorethephon|Chloroethylphosphonic acid|Dextrel M|Direphon|EINECS 240-718-3|EPA Pesticide Chemical Code 099801|Ethefon|Ethephon|Ethepon|Etheverse|Ethrel C|Flordimex|Flordimex T|Flordimex TM|Florel Plant Growth|Floridex|Fruitel|Hevetex|Kamposan|MATURE-AIDE|P-(2-Chloroethyl)phosphonic acid|Phosphonic acid, (2-chloroethyl)-|Phosphonic acid, P-(2-chloroethyl)-|Roll-Fruct|Romtrel|Super Boll|Tomathrel|UNII-XU5R5VQ87S|b-Chloroethylphosphonic acid|55600-37-8|60704-17-8|73020-07-2|82375-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024085
ERPathway2016 ERPathway2016_1341 2-Cloroethylphosphonic acid 16672-87-0 DTXSID7024085 ER Pathway Model, Antagonist Call Inactive Unitless OP(O)(=O)CCCl 2-Cloroethylphosphonic acid 16672-87-0|2-Cloroethylphosphonic acid|(2-CHLORAETHYL)-PHOSPHONSAEURE|(2-Chloroethyl)phosphonic acid|2-Cepa|2-Chloraethyl-phosphonsaeure|2-Chlorethylphosphonsaure|2-Chloroethanephosphonic acid|2-chloroethylphosphonic acid|acide 2-chloroethylphosphonique|Acide chloro-2-ethyl-phosphonique|acido 2-cloroetilfosfonico|Amchem 68-250|BRN 1751208|Bromeflor|Bromoflor|Camposan|Camposan M|Caswell No. 426A|Chipco Florel PRO|Chlorethephon|Chloroethylphosphonic acid|Dextrel M|Direphon|EINECS 240-718-3|EPA Pesticide Chemical Code 099801|Ethefon|Ethephon|Ethepon|Etheverse|Ethrel C|Flordimex|Flordimex T|Flordimex TM|Florel Plant Growth|Floridex|Fruitel|Hevetex|Kamposan|MATURE-AIDE|P-(2-Chloroethyl)phosphonic acid|Phosphonic acid, (2-chloroethyl)-|Phosphonic acid, P-(2-chloroethyl)-|Roll-Fruct|Romtrel|Super Boll|Tomathrel|UNII-XU5R5VQ87S|b-Chloroethylphosphonic acid|55600-37-8|60704-17-8|73020-07-2|82375-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024085
ARPathway2016 ARPathway2016_546 2E,4E-Hexadienoic acid 110-44-1 DTXSID3021277 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC=CC=CC(O)=O 2E,4E-Hexadienoic acid 110-44-1|2E,4E-Hexadienoic acid|(2E,4E)-2,4-Hexadienoic acid|(2E,4E)-hexa-2,4-dienoic acid|(E,E)-1,3-Pentadiene-1-carboxylic acid|(E,E)-2,4-Hexadienoic acid|(E,E)-2,4-Sorbic acid|(E,E)-SA|(E,E)-sorbic acid|1,3-pentadiene-1-carboxylic acid|1,3-Pentadiene-1-carboxylic acid, (E,E)-|2-Propenylacrylic acid|2,4-Hexadienoic acid, (2E,4E)-|2,4-Hexadienoic acid, (E,E)-|2E,4E-Sorbic acid|Acetic acid, (2-butenylidene)-|Acetic acid, crotylidene-|Acide hexa-2,4-dienoique|acido hexa-2,4-dienoico|alpha-trans-gamma-trans-Sorbic acid|Caswell No. 801|EINECS 203-768-7|EPA Pesticide Chemical Code 075901|hexa-2,4-dienoic acid|HEXA-2,4-DIENOIC ACID, (E,E)-|Hexa-2,4-diensaure|Hexadienoic acid|Kyselina 1,3-pentadien-1-karboxylova|Kyselina sorbova|NSC 35405|NSC 49103|NSC 50268|Panosorb|Sorbic acid|SORBINSAEURE|SORBISTAT|trans-trans-2,4-Hexadienoic acid|trans,trans-2,4-Hexadienoic acid|trans,trans-SA|trans,trans-Sorbic acid|UNII-X045WJ989B|1197240-56-4|91751-55-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021277 https://doi.org/10.22427/NTP-DATA-DTXSID3021277
ARPathway2016 ARPathway2016_546 2E,4E-Hexadienoic acid 110-44-1 DTXSID3021277 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC=CC=CC(O)=O 2E,4E-Hexadienoic acid 110-44-1|2E,4E-Hexadienoic acid|(2E,4E)-2,4-Hexadienoic acid|(2E,4E)-hexa-2,4-dienoic acid|(E,E)-1,3-Pentadiene-1-carboxylic acid|(E,E)-2,4-Hexadienoic acid|(E,E)-2,4-Sorbic acid|(E,E)-SA|(E,E)-sorbic acid|1,3-pentadiene-1-carboxylic acid|1,3-Pentadiene-1-carboxylic acid, (E,E)-|2-Propenylacrylic acid|2,4-Hexadienoic acid, (2E,4E)-|2,4-Hexadienoic acid, (E,E)-|2E,4E-Sorbic acid|Acetic acid, (2-butenylidene)-|Acetic acid, crotylidene-|Acide hexa-2,4-dienoique|acido hexa-2,4-dienoico|alpha-trans-gamma-trans-Sorbic acid|Caswell No. 801|EINECS 203-768-7|EPA Pesticide Chemical Code 075901|hexa-2,4-dienoic acid|HEXA-2,4-DIENOIC ACID, (E,E)-|Hexa-2,4-diensaure|Hexadienoic acid|Kyselina 1,3-pentadien-1-karboxylova|Kyselina sorbova|NSC 35405|NSC 49103|NSC 50268|Panosorb|Sorbic acid|SORBINSAEURE|SORBISTAT|trans-trans-2,4-Hexadienoic acid|trans,trans-2,4-Hexadienoic acid|trans,trans-SA|trans,trans-Sorbic acid|UNII-X045WJ989B|1197240-56-4|91751-55-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021277 https://doi.org/10.22427/NTP-DATA-DTXSID3021277
ARPathway2016 ARPathway2016_546 2E,4E-Hexadienoic acid 110-44-1 DTXSID3021277 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC=CC=CC(O)=O 2E,4E-Hexadienoic acid 110-44-1|2E,4E-Hexadienoic acid|(2E,4E)-2,4-Hexadienoic acid|(2E,4E)-hexa-2,4-dienoic acid|(E,E)-1,3-Pentadiene-1-carboxylic acid|(E,E)-2,4-Hexadienoic acid|(E,E)-2,4-Sorbic acid|(E,E)-SA|(E,E)-sorbic acid|1,3-pentadiene-1-carboxylic acid|1,3-Pentadiene-1-carboxylic acid, (E,E)-|2-Propenylacrylic acid|2,4-Hexadienoic acid, (2E,4E)-|2,4-Hexadienoic acid, (E,E)-|2E,4E-Sorbic acid|Acetic acid, (2-butenylidene)-|Acetic acid, crotylidene-|Acide hexa-2,4-dienoique|acido hexa-2,4-dienoico|alpha-trans-gamma-trans-Sorbic acid|Caswell No. 801|EINECS 203-768-7|EPA Pesticide Chemical Code 075901|hexa-2,4-dienoic acid|HEXA-2,4-DIENOIC ACID, (E,E)-|Hexa-2,4-diensaure|Hexadienoic acid|Kyselina 1,3-pentadien-1-karboxylova|Kyselina sorbova|NSC 35405|NSC 49103|NSC 50268|Panosorb|Sorbic acid|SORBINSAEURE|SORBISTAT|trans-trans-2,4-Hexadienoic acid|trans,trans-2,4-Hexadienoic acid|trans,trans-SA|trans,trans-Sorbic acid|UNII-X045WJ989B|1197240-56-4|91751-55-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021277 https://doi.org/10.22427/NTP-DATA-DTXSID3021277
ARPathway2016 ARPathway2016_546 2E,4E-Hexadienoic acid 110-44-1 DTXSID3021277 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC=CC=CC(O)=O 2E,4E-Hexadienoic acid 110-44-1|2E,4E-Hexadienoic acid|(2E,4E)-2,4-Hexadienoic acid|(2E,4E)-hexa-2,4-dienoic acid|(E,E)-1,3-Pentadiene-1-carboxylic acid|(E,E)-2,4-Hexadienoic acid|(E,E)-2,4-Sorbic acid|(E,E)-SA|(E,E)-sorbic acid|1,3-pentadiene-1-carboxylic acid|1,3-Pentadiene-1-carboxylic acid, (E,E)-|2-Propenylacrylic acid|2,4-Hexadienoic acid, (2E,4E)-|2,4-Hexadienoic acid, (E,E)-|2E,4E-Sorbic acid|Acetic acid, (2-butenylidene)-|Acetic acid, crotylidene-|Acide hexa-2,4-dienoique|acido hexa-2,4-dienoico|alpha-trans-gamma-trans-Sorbic acid|Caswell No. 801|EINECS 203-768-7|EPA Pesticide Chemical Code 075901|hexa-2,4-dienoic acid|HEXA-2,4-DIENOIC ACID, (E,E)-|Hexa-2,4-diensaure|Hexadienoic acid|Kyselina 1,3-pentadien-1-karboxylova|Kyselina sorbova|NSC 35405|NSC 49103|NSC 50268|Panosorb|Sorbic acid|SORBINSAEURE|SORBISTAT|trans-trans-2,4-Hexadienoic acid|trans,trans-2,4-Hexadienoic acid|trans,trans-SA|trans,trans-Sorbic acid|UNII-X045WJ989B|1197240-56-4|91751-55-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021277 https://doi.org/10.22427/NTP-DATA-DTXSID3021277
ERPathway2016 ERPathway2016_1136 2E,4E-Hexadienoic acid 110-44-1 DTXSID3021277 ER Pathway Model, Agonist Model Score 0 Unitless CC=CC=CC(O)=O 2E,4E-Hexadienoic acid 110-44-1|2E,4E-Hexadienoic acid|(2E,4E)-2,4-Hexadienoic acid|(2E,4E)-hexa-2,4-dienoic acid|(E,E)-1,3-Pentadiene-1-carboxylic acid|(E,E)-2,4-Hexadienoic acid|(E,E)-2,4-Sorbic acid|(E,E)-SA|(E,E)-sorbic acid|1,3-pentadiene-1-carboxylic acid|1,3-Pentadiene-1-carboxylic acid, (E,E)-|2-Propenylacrylic acid|2,4-Hexadienoic acid, (2E,4E)-|2,4-Hexadienoic acid, (E,E)-|2E,4E-Sorbic acid|Acetic acid, (2-butenylidene)-|Acetic acid, crotylidene-|Acide hexa-2,4-dienoique|acido hexa-2,4-dienoico|alpha-trans-gamma-trans-Sorbic acid|Caswell No. 801|EINECS 203-768-7|EPA Pesticide Chemical Code 075901|hexa-2,4-dienoic acid|HEXA-2,4-DIENOIC ACID, (E,E)-|Hexa-2,4-diensaure|Hexadienoic acid|Kyselina 1,3-pentadien-1-karboxylova|Kyselina sorbova|NSC 35405|NSC 49103|NSC 50268|Panosorb|Sorbic acid|SORBINSAEURE|SORBISTAT|trans-trans-2,4-Hexadienoic acid|trans,trans-2,4-Hexadienoic acid|trans,trans-SA|trans,trans-Sorbic acid|UNII-X045WJ989B|1197240-56-4|91751-55-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021277 https://doi.org/10.22427/NTP-DATA-DTXSID3021277
ERPathway2016 ERPathway2016_1136 2E,4E-Hexadienoic acid 110-44-1 DTXSID3021277 ER Pathway Model, Antagonist Model Score 0 Unitless CC=CC=CC(O)=O 2E,4E-Hexadienoic acid 110-44-1|2E,4E-Hexadienoic acid|(2E,4E)-2,4-Hexadienoic acid|(2E,4E)-hexa-2,4-dienoic acid|(E,E)-1,3-Pentadiene-1-carboxylic acid|(E,E)-2,4-Hexadienoic acid|(E,E)-2,4-Sorbic acid|(E,E)-SA|(E,E)-sorbic acid|1,3-pentadiene-1-carboxylic acid|1,3-Pentadiene-1-carboxylic acid, (E,E)-|2-Propenylacrylic acid|2,4-Hexadienoic acid, (2E,4E)-|2,4-Hexadienoic acid, (E,E)-|2E,4E-Sorbic acid|Acetic acid, (2-butenylidene)-|Acetic acid, crotylidene-|Acide hexa-2,4-dienoique|acido hexa-2,4-dienoico|alpha-trans-gamma-trans-Sorbic acid|Caswell No. 801|EINECS 203-768-7|EPA Pesticide Chemical Code 075901|hexa-2,4-dienoic acid|HEXA-2,4-DIENOIC ACID, (E,E)-|Hexa-2,4-diensaure|Hexadienoic acid|Kyselina 1,3-pentadien-1-karboxylova|Kyselina sorbova|NSC 35405|NSC 49103|NSC 50268|Panosorb|Sorbic acid|SORBINSAEURE|SORBISTAT|trans-trans-2,4-Hexadienoic acid|trans,trans-2,4-Hexadienoic acid|trans,trans-SA|trans,trans-Sorbic acid|UNII-X045WJ989B|1197240-56-4|91751-55-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021277 https://doi.org/10.22427/NTP-DATA-DTXSID3021277
ERPathway2016 ERPathway2016_1136 2E,4E-Hexadienoic acid 110-44-1 DTXSID3021277 ER Pathway Model, Agonist Call Inactive Unitless CC=CC=CC(O)=O 2E,4E-Hexadienoic acid 110-44-1|2E,4E-Hexadienoic acid|(2E,4E)-2,4-Hexadienoic acid|(2E,4E)-hexa-2,4-dienoic acid|(E,E)-1,3-Pentadiene-1-carboxylic acid|(E,E)-2,4-Hexadienoic acid|(E,E)-2,4-Sorbic acid|(E,E)-SA|(E,E)-sorbic acid|1,3-pentadiene-1-carboxylic acid|1,3-Pentadiene-1-carboxylic acid, (E,E)-|2-Propenylacrylic acid|2,4-Hexadienoic acid, (2E,4E)-|2,4-Hexadienoic acid, (E,E)-|2E,4E-Sorbic acid|Acetic acid, (2-butenylidene)-|Acetic acid, crotylidene-|Acide hexa-2,4-dienoique|acido hexa-2,4-dienoico|alpha-trans-gamma-trans-Sorbic acid|Caswell No. 801|EINECS 203-768-7|EPA Pesticide Chemical Code 075901|hexa-2,4-dienoic acid|HEXA-2,4-DIENOIC ACID, (E,E)-|Hexa-2,4-diensaure|Hexadienoic acid|Kyselina 1,3-pentadien-1-karboxylova|Kyselina sorbova|NSC 35405|NSC 49103|NSC 50268|Panosorb|Sorbic acid|SORBINSAEURE|SORBISTAT|trans-trans-2,4-Hexadienoic acid|trans,trans-2,4-Hexadienoic acid|trans,trans-SA|trans,trans-Sorbic acid|UNII-X045WJ989B|1197240-56-4|91751-55-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021277 https://doi.org/10.22427/NTP-DATA-DTXSID3021277
ERPathway2016 ERPathway2016_1136 2E,4E-Hexadienoic acid 110-44-1 DTXSID3021277 ER Pathway Model, Antagonist Call Inactive Unitless CC=CC=CC(O)=O 2E,4E-Hexadienoic acid 110-44-1|2E,4E-Hexadienoic acid|(2E,4E)-2,4-Hexadienoic acid|(2E,4E)-hexa-2,4-dienoic acid|(E,E)-1,3-Pentadiene-1-carboxylic acid|(E,E)-2,4-Hexadienoic acid|(E,E)-2,4-Sorbic acid|(E,E)-SA|(E,E)-sorbic acid|1,3-pentadiene-1-carboxylic acid|1,3-Pentadiene-1-carboxylic acid, (E,E)-|2-Propenylacrylic acid|2,4-Hexadienoic acid, (2E,4E)-|2,4-Hexadienoic acid, (E,E)-|2E,4E-Sorbic acid|Acetic acid, (2-butenylidene)-|Acetic acid, crotylidene-|Acide hexa-2,4-dienoique|acido hexa-2,4-dienoico|alpha-trans-gamma-trans-Sorbic acid|Caswell No. 801|EINECS 203-768-7|EPA Pesticide Chemical Code 075901|hexa-2,4-dienoic acid|HEXA-2,4-DIENOIC ACID, (E,E)-|Hexa-2,4-diensaure|Hexadienoic acid|Kyselina 1,3-pentadien-1-karboxylova|Kyselina sorbova|NSC 35405|NSC 49103|NSC 50268|Panosorb|Sorbic acid|SORBINSAEURE|SORBISTAT|trans-trans-2,4-Hexadienoic acid|trans,trans-2,4-Hexadienoic acid|trans,trans-SA|trans,trans-Sorbic acid|UNII-X045WJ989B|1197240-56-4|91751-55-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021277 https://doi.org/10.22427/NTP-DATA-DTXSID3021277
ARPathway2016 ARPathway2016_552 2-Ethoxyethanol 110-80-5 DTXSID7024087 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOCCO 2-Ethoxyethanol 110-80-5|2-Ethoxyethanol|2-Ethoxy-Ethanol|2-ethoxyethan-1-ol|2-Ethoxyethanol (cellosolve)|2-Ethoxyethyl alcohol|2-etoxietanol|2EE|AETHYLENGLYKOL-MONOAETHYLAETHER|Athylenglykol-monoathylather|beta-Ethoxyethanol|Bikanol E 1|Bikanol E1|Cellosolve|Cellosolve solvent|Cellosolve(R)|Celosolv|Dowanol 8|Dowanol EE|Ee solvent|EGEE|EGMEE|EINECS 203-804-1|Ektasolve EE|Emkanol|Eter monoetilico del etilenglicol|Ethanol, 2-ethoxy-|Ether monoethylique de L'ethylene-glycol|Ethoxyethanol|Ethyl 2-hydroxyethyl ether|Ethyl Cellosolve|Ethyl ethylene glycol|ETHYL GLYCOL|Ethyl icinol|Ethyl-2-hydroxyethyl ether|Ethylene glycol ethyl ether|Ethylene glycol monoethyl ether|Ethylene glycol monoethyl ether (egmee)|Ethylene glycol monoethyl ether [UN1171] [Flammable liquid]|Ethylethylene glycol|Etoksyetylowy alkohol|ETX|Glycol ether ee|Glycol ethyl ether|Glycol monoethyl ether|HOCH2CH2OC2H5|HSDB 54|Hydroxy ether|Jeffersol ee|Monoethyl glycol ether|Monoethylene glycol ethyl ether|NCI-C54853|NSC 8837|Oxitol|Plastiazan 60|Poly-Solv EE|Seahosol MG|Shihozoru MG|Solvid||96231-36-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024087 https://doi.org/10.22427/NTP-DATA-DTXSID7024087
ARPathway2016 ARPathway2016_552 2-Ethoxyethanol 110-80-5 DTXSID7024087 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOCCO 2-Ethoxyethanol 110-80-5|2-Ethoxyethanol|2-Ethoxy-Ethanol|2-ethoxyethan-1-ol|2-Ethoxyethanol (cellosolve)|2-Ethoxyethyl alcohol|2-etoxietanol|2EE|AETHYLENGLYKOL-MONOAETHYLAETHER|Athylenglykol-monoathylather|beta-Ethoxyethanol|Bikanol E 1|Bikanol E1|Cellosolve|Cellosolve solvent|Cellosolve(R)|Celosolv|Dowanol 8|Dowanol EE|Ee solvent|EGEE|EGMEE|EINECS 203-804-1|Ektasolve EE|Emkanol|Eter monoetilico del etilenglicol|Ethanol, 2-ethoxy-|Ether monoethylique de L'ethylene-glycol|Ethoxyethanol|Ethyl 2-hydroxyethyl ether|Ethyl Cellosolve|Ethyl ethylene glycol|ETHYL GLYCOL|Ethyl icinol|Ethyl-2-hydroxyethyl ether|Ethylene glycol ethyl ether|Ethylene glycol monoethyl ether|Ethylene glycol monoethyl ether (egmee)|Ethylene glycol monoethyl ether [UN1171] [Flammable liquid]|Ethylethylene glycol|Etoksyetylowy alkohol|ETX|Glycol ether ee|Glycol ethyl ether|Glycol monoethyl ether|HOCH2CH2OC2H5|HSDB 54|Hydroxy ether|Jeffersol ee|Monoethyl glycol ether|Monoethylene glycol ethyl ether|NCI-C54853|NSC 8837|Oxitol|Plastiazan 60|Poly-Solv EE|Seahosol MG|Shihozoru MG|Solvid||96231-36-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024087 https://doi.org/10.22427/NTP-DATA-DTXSID7024087
ARPathway2016 ARPathway2016_552 2-Ethoxyethanol 110-80-5 DTXSID7024087 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOCCO 2-Ethoxyethanol 110-80-5|2-Ethoxyethanol|2-Ethoxy-Ethanol|2-ethoxyethan-1-ol|2-Ethoxyethanol (cellosolve)|2-Ethoxyethyl alcohol|2-etoxietanol|2EE|AETHYLENGLYKOL-MONOAETHYLAETHER|Athylenglykol-monoathylather|beta-Ethoxyethanol|Bikanol E 1|Bikanol E1|Cellosolve|Cellosolve solvent|Cellosolve(R)|Celosolv|Dowanol 8|Dowanol EE|Ee solvent|EGEE|EGMEE|EINECS 203-804-1|Ektasolve EE|Emkanol|Eter monoetilico del etilenglicol|Ethanol, 2-ethoxy-|Ether monoethylique de L'ethylene-glycol|Ethoxyethanol|Ethyl 2-hydroxyethyl ether|Ethyl Cellosolve|Ethyl ethylene glycol|ETHYL GLYCOL|Ethyl icinol|Ethyl-2-hydroxyethyl ether|Ethylene glycol ethyl ether|Ethylene glycol monoethyl ether|Ethylene glycol monoethyl ether (egmee)|Ethylene glycol monoethyl ether [UN1171] [Flammable liquid]|Ethylethylene glycol|Etoksyetylowy alkohol|ETX|Glycol ether ee|Glycol ethyl ether|Glycol monoethyl ether|HOCH2CH2OC2H5|HSDB 54|Hydroxy ether|Jeffersol ee|Monoethyl glycol ether|Monoethylene glycol ethyl ether|NCI-C54853|NSC 8837|Oxitol|Plastiazan 60|Poly-Solv EE|Seahosol MG|Shihozoru MG|Solvid||96231-36-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024087 https://doi.org/10.22427/NTP-DATA-DTXSID7024087
ARPathway2016 ARPathway2016_552 2-Ethoxyethanol 110-80-5 DTXSID7024087 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOCCO 2-Ethoxyethanol 110-80-5|2-Ethoxyethanol|2-Ethoxy-Ethanol|2-ethoxyethan-1-ol|2-Ethoxyethanol (cellosolve)|2-Ethoxyethyl alcohol|2-etoxietanol|2EE|AETHYLENGLYKOL-MONOAETHYLAETHER|Athylenglykol-monoathylather|beta-Ethoxyethanol|Bikanol E 1|Bikanol E1|Cellosolve|Cellosolve solvent|Cellosolve(R)|Celosolv|Dowanol 8|Dowanol EE|Ee solvent|EGEE|EGMEE|EINECS 203-804-1|Ektasolve EE|Emkanol|Eter monoetilico del etilenglicol|Ethanol, 2-ethoxy-|Ether monoethylique de L'ethylene-glycol|Ethoxyethanol|Ethyl 2-hydroxyethyl ether|Ethyl Cellosolve|Ethyl ethylene glycol|ETHYL GLYCOL|Ethyl icinol|Ethyl-2-hydroxyethyl ether|Ethylene glycol ethyl ether|Ethylene glycol monoethyl ether|Ethylene glycol monoethyl ether (egmee)|Ethylene glycol monoethyl ether [UN1171] [Flammable liquid]|Ethylethylene glycol|Etoksyetylowy alkohol|ETX|Glycol ether ee|Glycol ethyl ether|Glycol monoethyl ether|HOCH2CH2OC2H5|HSDB 54|Hydroxy ether|Jeffersol ee|Monoethyl glycol ether|Monoethylene glycol ethyl ether|NCI-C54853|NSC 8837|Oxitol|Plastiazan 60|Poly-Solv EE|Seahosol MG|Shihozoru MG|Solvid||96231-36-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024087 https://doi.org/10.22427/NTP-DATA-DTXSID7024087
ERPathway2016 ERPathway2016_1140 2-Ethoxyethanol 110-80-5 DTXSID7024087 ER Pathway Model, Agonist Model Score 0 Unitless CCOCCO 2-Ethoxyethanol 110-80-5|2-Ethoxyethanol|2-Ethoxy-Ethanol|2-ethoxyethan-1-ol|2-Ethoxyethanol (cellosolve)|2-Ethoxyethyl alcohol|2-etoxietanol|2EE|AETHYLENGLYKOL-MONOAETHYLAETHER|Athylenglykol-monoathylather|beta-Ethoxyethanol|Bikanol E 1|Bikanol E1|Cellosolve|Cellosolve solvent|Cellosolve(R)|Celosolv|Dowanol 8|Dowanol EE|Ee solvent|EGEE|EGMEE|EINECS 203-804-1|Ektasolve EE|Emkanol|Eter monoetilico del etilenglicol|Ethanol, 2-ethoxy-|Ether monoethylique de L'ethylene-glycol|Ethoxyethanol|Ethyl 2-hydroxyethyl ether|Ethyl Cellosolve|Ethyl ethylene glycol|ETHYL GLYCOL|Ethyl icinol|Ethyl-2-hydroxyethyl ether|Ethylene glycol ethyl ether|Ethylene glycol monoethyl ether|Ethylene glycol monoethyl ether (egmee)|Ethylene glycol monoethyl ether [UN1171] [Flammable liquid]|Ethylethylene glycol|Etoksyetylowy alkohol|ETX|Glycol ether ee|Glycol ethyl ether|Glycol monoethyl ether|HOCH2CH2OC2H5|HSDB 54|Hydroxy ether|Jeffersol ee|Monoethyl glycol ether|Monoethylene glycol ethyl ether|NCI-C54853|NSC 8837|Oxitol|Plastiazan 60|Poly-Solv EE|Seahosol MG|Shihozoru MG|Solvid||96231-36-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024087 https://doi.org/10.22427/NTP-DATA-DTXSID7024087
ERPathway2016 ERPathway2016_1140 2-Ethoxyethanol 110-80-5 DTXSID7024087 ER Pathway Model, Antagonist Model Score 0 Unitless CCOCCO 2-Ethoxyethanol 110-80-5|2-Ethoxyethanol|2-Ethoxy-Ethanol|2-ethoxyethan-1-ol|2-Ethoxyethanol (cellosolve)|2-Ethoxyethyl alcohol|2-etoxietanol|2EE|AETHYLENGLYKOL-MONOAETHYLAETHER|Athylenglykol-monoathylather|beta-Ethoxyethanol|Bikanol E 1|Bikanol E1|Cellosolve|Cellosolve solvent|Cellosolve(R)|Celosolv|Dowanol 8|Dowanol EE|Ee solvent|EGEE|EGMEE|EINECS 203-804-1|Ektasolve EE|Emkanol|Eter monoetilico del etilenglicol|Ethanol, 2-ethoxy-|Ether monoethylique de L'ethylene-glycol|Ethoxyethanol|Ethyl 2-hydroxyethyl ether|Ethyl Cellosolve|Ethyl ethylene glycol|ETHYL GLYCOL|Ethyl icinol|Ethyl-2-hydroxyethyl ether|Ethylene glycol ethyl ether|Ethylene glycol monoethyl ether|Ethylene glycol monoethyl ether (egmee)|Ethylene glycol monoethyl ether [UN1171] [Flammable liquid]|Ethylethylene glycol|Etoksyetylowy alkohol|ETX|Glycol ether ee|Glycol ethyl ether|Glycol monoethyl ether|HOCH2CH2OC2H5|HSDB 54|Hydroxy ether|Jeffersol ee|Monoethyl glycol ether|Monoethylene glycol ethyl ether|NCI-C54853|NSC 8837|Oxitol|Plastiazan 60|Poly-Solv EE|Seahosol MG|Shihozoru MG|Solvid||96231-36-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024087 https://doi.org/10.22427/NTP-DATA-DTXSID7024087
ERPathway2016 ERPathway2016_1140 2-Ethoxyethanol 110-80-5 DTXSID7024087 ER Pathway Model, Agonist Call Inactive Unitless CCOCCO 2-Ethoxyethanol 110-80-5|2-Ethoxyethanol|2-Ethoxy-Ethanol|2-ethoxyethan-1-ol|2-Ethoxyethanol (cellosolve)|2-Ethoxyethyl alcohol|2-etoxietanol|2EE|AETHYLENGLYKOL-MONOAETHYLAETHER|Athylenglykol-monoathylather|beta-Ethoxyethanol|Bikanol E 1|Bikanol E1|Cellosolve|Cellosolve solvent|Cellosolve(R)|Celosolv|Dowanol 8|Dowanol EE|Ee solvent|EGEE|EGMEE|EINECS 203-804-1|Ektasolve EE|Emkanol|Eter monoetilico del etilenglicol|Ethanol, 2-ethoxy-|Ether monoethylique de L'ethylene-glycol|Ethoxyethanol|Ethyl 2-hydroxyethyl ether|Ethyl Cellosolve|Ethyl ethylene glycol|ETHYL GLYCOL|Ethyl icinol|Ethyl-2-hydroxyethyl ether|Ethylene glycol ethyl ether|Ethylene glycol monoethyl ether|Ethylene glycol monoethyl ether (egmee)|Ethylene glycol monoethyl ether [UN1171] [Flammable liquid]|Ethylethylene glycol|Etoksyetylowy alkohol|ETX|Glycol ether ee|Glycol ethyl ether|Glycol monoethyl ether|HOCH2CH2OC2H5|HSDB 54|Hydroxy ether|Jeffersol ee|Monoethyl glycol ether|Monoethylene glycol ethyl ether|NCI-C54853|NSC 8837|Oxitol|Plastiazan 60|Poly-Solv EE|Seahosol MG|Shihozoru MG|Solvid||96231-36-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024087 https://doi.org/10.22427/NTP-DATA-DTXSID7024087
ERPathway2016 ERPathway2016_1140 2-Ethoxyethanol 110-80-5 DTXSID7024087 ER Pathway Model, Antagonist Call Inactive Unitless CCOCCO 2-Ethoxyethanol 110-80-5|2-Ethoxyethanol|2-Ethoxy-Ethanol|2-ethoxyethan-1-ol|2-Ethoxyethanol (cellosolve)|2-Ethoxyethyl alcohol|2-etoxietanol|2EE|AETHYLENGLYKOL-MONOAETHYLAETHER|Athylenglykol-monoathylather|beta-Ethoxyethanol|Bikanol E 1|Bikanol E1|Cellosolve|Cellosolve solvent|Cellosolve(R)|Celosolv|Dowanol 8|Dowanol EE|Ee solvent|EGEE|EGMEE|EINECS 203-804-1|Ektasolve EE|Emkanol|Eter monoetilico del etilenglicol|Ethanol, 2-ethoxy-|Ether monoethylique de L'ethylene-glycol|Ethoxyethanol|Ethyl 2-hydroxyethyl ether|Ethyl Cellosolve|Ethyl ethylene glycol|ETHYL GLYCOL|Ethyl icinol|Ethyl-2-hydroxyethyl ether|Ethylene glycol ethyl ether|Ethylene glycol monoethyl ether|Ethylene glycol monoethyl ether (egmee)|Ethylene glycol monoethyl ether [UN1171] [Flammable liquid]|Ethylethylene glycol|Etoksyetylowy alkohol|ETX|Glycol ether ee|Glycol ethyl ether|Glycol monoethyl ether|HOCH2CH2OC2H5|HSDB 54|Hydroxy ether|Jeffersol ee|Monoethyl glycol ether|Monoethylene glycol ethyl ether|NCI-C54853|NSC 8837|Oxitol|Plastiazan 60|Poly-Solv EE|Seahosol MG|Shihozoru MG|Solvid||96231-36-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024087 https://doi.org/10.22427/NTP-DATA-DTXSID7024087
ARPathway2016 ARPathway2016_1752 2-Ethyl-1,3-hexanediol 94-96-2 DTXSID4025292 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC(O)C(CC)CO 2-Ethyl-1,3-hexanediol 94-96-2|2-Ethyl-1,3-hexanediol|1,3-Hexanediol, 2-ethyl-|2-AETHYL-1,3-HEXANDIOL|2-Ethyl-1,3-hexylene glycol|2-Ethyl-3-propyl-1,3-propanediol|2-Ethylhexan-1,3-diol|2-Ethylhexane-1,3-diol|2-Ethylhexanediol|2-etilhexano-1,3-diol|3-Hydroxymethyl-n-heptan-4-ol|4-01-00-02597|6-12 insect repellent|6-12-Insect repellent|BRN 1735324|Carbide 6-12|Caswell No. 445|Compound 6-12 insect repellent|Diol-Kyowa 8|EINECS 202-377-9|EPA Pesticide Chemical Code 041001|Ethohexadiol|Etohexadiol|HEXANE-1,3-DIOL, 2-ETHYL-|NSC 3881|Octylene glycol|Repellent 612|Rutgers 612|UNII-M9JGK7U88V|1321-34-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025292 https://doi.org/10.22427/NTP-DATA-DTXSID4025292
ARPathway2016 ARPathway2016_1752 2-Ethyl-1,3-hexanediol 94-96-2 DTXSID4025292 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCC(O)C(CC)CO 2-Ethyl-1,3-hexanediol 94-96-2|2-Ethyl-1,3-hexanediol|1,3-Hexanediol, 2-ethyl-|2-AETHYL-1,3-HEXANDIOL|2-Ethyl-1,3-hexylene glycol|2-Ethyl-3-propyl-1,3-propanediol|2-Ethylhexan-1,3-diol|2-Ethylhexane-1,3-diol|2-Ethylhexanediol|2-etilhexano-1,3-diol|3-Hydroxymethyl-n-heptan-4-ol|4-01-00-02597|6-12 insect repellent|6-12-Insect repellent|BRN 1735324|Carbide 6-12|Caswell No. 445|Compound 6-12 insect repellent|Diol-Kyowa 8|EINECS 202-377-9|EPA Pesticide Chemical Code 041001|Ethohexadiol|Etohexadiol|HEXANE-1,3-DIOL, 2-ETHYL-|NSC 3881|Octylene glycol|Repellent 612|Rutgers 612|UNII-M9JGK7U88V|1321-34-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025292 https://doi.org/10.22427/NTP-DATA-DTXSID4025292
ARPathway2016 ARPathway2016_1752 2-Ethyl-1,3-hexanediol 94-96-2 DTXSID4025292 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCC(O)C(CC)CO 2-Ethyl-1,3-hexanediol 94-96-2|2-Ethyl-1,3-hexanediol|1,3-Hexanediol, 2-ethyl-|2-AETHYL-1,3-HEXANDIOL|2-Ethyl-1,3-hexylene glycol|2-Ethyl-3-propyl-1,3-propanediol|2-Ethylhexan-1,3-diol|2-Ethylhexane-1,3-diol|2-Ethylhexanediol|2-etilhexano-1,3-diol|3-Hydroxymethyl-n-heptan-4-ol|4-01-00-02597|6-12 insect repellent|6-12-Insect repellent|BRN 1735324|Carbide 6-12|Caswell No. 445|Compound 6-12 insect repellent|Diol-Kyowa 8|EINECS 202-377-9|EPA Pesticide Chemical Code 041001|Ethohexadiol|Etohexadiol|HEXANE-1,3-DIOL, 2-ETHYL-|NSC 3881|Octylene glycol|Repellent 612|Rutgers 612|UNII-M9JGK7U88V|1321-34-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025292 https://doi.org/10.22427/NTP-DATA-DTXSID4025292
ARPathway2016 ARPathway2016_1752 2-Ethyl-1,3-hexanediol 94-96-2 DTXSID4025292 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCC(O)C(CC)CO 2-Ethyl-1,3-hexanediol 94-96-2|2-Ethyl-1,3-hexanediol|1,3-Hexanediol, 2-ethyl-|2-AETHYL-1,3-HEXANDIOL|2-Ethyl-1,3-hexylene glycol|2-Ethyl-3-propyl-1,3-propanediol|2-Ethylhexan-1,3-diol|2-Ethylhexane-1,3-diol|2-Ethylhexanediol|2-etilhexano-1,3-diol|3-Hydroxymethyl-n-heptan-4-ol|4-01-00-02597|6-12 insect repellent|6-12-Insect repellent|BRN 1735324|Carbide 6-12|Caswell No. 445|Compound 6-12 insect repellent|Diol-Kyowa 8|EINECS 202-377-9|EPA Pesticide Chemical Code 041001|Ethohexadiol|Etohexadiol|HEXANE-1,3-DIOL, 2-ETHYL-|NSC 3881|Octylene glycol|Repellent 612|Rutgers 612|UNII-M9JGK7U88V|1321-34-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025292 https://doi.org/10.22427/NTP-DATA-DTXSID4025292
ERPathway2016 ERPathway2016_1761 2-Ethyl-1,3-hexanediol 94-96-2 DTXSID4025292 ER Pathway Model, Agonist Model Score 0 Unitless CCCC(O)C(CC)CO 2-Ethyl-1,3-hexanediol 94-96-2|2-Ethyl-1,3-hexanediol|1,3-Hexanediol, 2-ethyl-|2-AETHYL-1,3-HEXANDIOL|2-Ethyl-1,3-hexylene glycol|2-Ethyl-3-propyl-1,3-propanediol|2-Ethylhexan-1,3-diol|2-Ethylhexane-1,3-diol|2-Ethylhexanediol|2-etilhexano-1,3-diol|3-Hydroxymethyl-n-heptan-4-ol|4-01-00-02597|6-12 insect repellent|6-12-Insect repellent|BRN 1735324|Carbide 6-12|Caswell No. 445|Compound 6-12 insect repellent|Diol-Kyowa 8|EINECS 202-377-9|EPA Pesticide Chemical Code 041001|Ethohexadiol|Etohexadiol|HEXANE-1,3-DIOL, 2-ETHYL-|NSC 3881|Octylene glycol|Repellent 612|Rutgers 612|UNII-M9JGK7U88V|1321-34-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025292 https://doi.org/10.22427/NTP-DATA-DTXSID4025292
ERPathway2016 ERPathway2016_1761 2-Ethyl-1,3-hexanediol 94-96-2 DTXSID4025292 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC(O)C(CC)CO 2-Ethyl-1,3-hexanediol 94-96-2|2-Ethyl-1,3-hexanediol|1,3-Hexanediol, 2-ethyl-|2-AETHYL-1,3-HEXANDIOL|2-Ethyl-1,3-hexylene glycol|2-Ethyl-3-propyl-1,3-propanediol|2-Ethylhexan-1,3-diol|2-Ethylhexane-1,3-diol|2-Ethylhexanediol|2-etilhexano-1,3-diol|3-Hydroxymethyl-n-heptan-4-ol|4-01-00-02597|6-12 insect repellent|6-12-Insect repellent|BRN 1735324|Carbide 6-12|Caswell No. 445|Compound 6-12 insect repellent|Diol-Kyowa 8|EINECS 202-377-9|EPA Pesticide Chemical Code 041001|Ethohexadiol|Etohexadiol|HEXANE-1,3-DIOL, 2-ETHYL-|NSC 3881|Octylene glycol|Repellent 612|Rutgers 612|UNII-M9JGK7U88V|1321-34-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025292 https://doi.org/10.22427/NTP-DATA-DTXSID4025292
ERPathway2016 ERPathway2016_1761 2-Ethyl-1,3-hexanediol 94-96-2 DTXSID4025292 ER Pathway Model, Agonist Call Inactive Unitless CCCC(O)C(CC)CO 2-Ethyl-1,3-hexanediol 94-96-2|2-Ethyl-1,3-hexanediol|1,3-Hexanediol, 2-ethyl-|2-AETHYL-1,3-HEXANDIOL|2-Ethyl-1,3-hexylene glycol|2-Ethyl-3-propyl-1,3-propanediol|2-Ethylhexan-1,3-diol|2-Ethylhexane-1,3-diol|2-Ethylhexanediol|2-etilhexano-1,3-diol|3-Hydroxymethyl-n-heptan-4-ol|4-01-00-02597|6-12 insect repellent|6-12-Insect repellent|BRN 1735324|Carbide 6-12|Caswell No. 445|Compound 6-12 insect repellent|Diol-Kyowa 8|EINECS 202-377-9|EPA Pesticide Chemical Code 041001|Ethohexadiol|Etohexadiol|HEXANE-1,3-DIOL, 2-ETHYL-|NSC 3881|Octylene glycol|Repellent 612|Rutgers 612|UNII-M9JGK7U88V|1321-34-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025292 https://doi.org/10.22427/NTP-DATA-DTXSID4025292
ERPathway2016 ERPathway2016_1761 2-Ethyl-1,3-hexanediol 94-96-2 DTXSID4025292 ER Pathway Model, Antagonist Call Inactive Unitless CCCC(O)C(CC)CO 2-Ethyl-1,3-hexanediol 94-96-2|2-Ethyl-1,3-hexanediol|1,3-Hexanediol, 2-ethyl-|2-AETHYL-1,3-HEXANDIOL|2-Ethyl-1,3-hexylene glycol|2-Ethyl-3-propyl-1,3-propanediol|2-Ethylhexan-1,3-diol|2-Ethylhexane-1,3-diol|2-Ethylhexanediol|2-etilhexano-1,3-diol|3-Hydroxymethyl-n-heptan-4-ol|4-01-00-02597|6-12 insect repellent|6-12-Insect repellent|BRN 1735324|Carbide 6-12|Caswell No. 445|Compound 6-12 insect repellent|Diol-Kyowa 8|EINECS 202-377-9|EPA Pesticide Chemical Code 041001|Ethohexadiol|Etohexadiol|HEXANE-1,3-DIOL, 2-ETHYL-|NSC 3881|Octylene glycol|Repellent 612|Rutgers 612|UNII-M9JGK7U88V|1321-34-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025292 https://doi.org/10.22427/NTP-DATA-DTXSID4025292
ARPathway2016 ARPathway2016_452 2-Ethyl-1-hexanol 104-76-7 DTXSID5020605 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)CO 2-Ethyl-1-hexanol 104-76-7|2-Ethyl-1-hexanol|(.+-.)-2-Ethyl-1-hexanol|1-Hexanol, 2-ethyl-|2-AETHYL-1-HEXANOL|2-Aethylhexanol|2-Ethyl hexanol|2-Ethyl-1-hexyl alcohol|2-Ethylhexan-1-ol|2-ethylhexane-1-ol|2-Ethylhexanol|2-Ethylhexyl alcohol|2-etilhexan-1-ol|4-01-00-01783|Alcohol, 2-ethylhexyl|BRN 1719280|EINECS 203-234-3|Ethylhexanol|FEMA 3151|FEMA No. 3151|HEXAN-1-OL, 2-ETHYL-|NSC 9300|UNII-XZV7TAA77P|111675-57-1|2360922-23-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020605 https://doi.org/10.22427/NTP-DATA-DTXSID5020605
ARPathway2016 ARPathway2016_452 2-Ethyl-1-hexanol 104-76-7 DTXSID5020605 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)CO 2-Ethyl-1-hexanol 104-76-7|2-Ethyl-1-hexanol|(.+-.)-2-Ethyl-1-hexanol|1-Hexanol, 2-ethyl-|2-AETHYL-1-HEXANOL|2-Aethylhexanol|2-Ethyl hexanol|2-Ethyl-1-hexyl alcohol|2-Ethylhexan-1-ol|2-ethylhexane-1-ol|2-Ethylhexanol|2-Ethylhexyl alcohol|2-etilhexan-1-ol|4-01-00-01783|Alcohol, 2-ethylhexyl|BRN 1719280|EINECS 203-234-3|Ethylhexanol|FEMA 3151|FEMA No. 3151|HEXAN-1-OL, 2-ETHYL-|NSC 9300|UNII-XZV7TAA77P|111675-57-1|2360922-23-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020605 https://doi.org/10.22427/NTP-DATA-DTXSID5020605
ARPathway2016 ARPathway2016_452 2-Ethyl-1-hexanol 104-76-7 DTXSID5020605 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)CO 2-Ethyl-1-hexanol 104-76-7|2-Ethyl-1-hexanol|(.+-.)-2-Ethyl-1-hexanol|1-Hexanol, 2-ethyl-|2-AETHYL-1-HEXANOL|2-Aethylhexanol|2-Ethyl hexanol|2-Ethyl-1-hexyl alcohol|2-Ethylhexan-1-ol|2-ethylhexane-1-ol|2-Ethylhexanol|2-Ethylhexyl alcohol|2-etilhexan-1-ol|4-01-00-01783|Alcohol, 2-ethylhexyl|BRN 1719280|EINECS 203-234-3|Ethylhexanol|FEMA 3151|FEMA No. 3151|HEXAN-1-OL, 2-ETHYL-|NSC 9300|UNII-XZV7TAA77P|111675-57-1|2360922-23-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020605 https://doi.org/10.22427/NTP-DATA-DTXSID5020605
ARPathway2016 ARPathway2016_452 2-Ethyl-1-hexanol 104-76-7 DTXSID5020605 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)CO 2-Ethyl-1-hexanol 104-76-7|2-Ethyl-1-hexanol|(.+-.)-2-Ethyl-1-hexanol|1-Hexanol, 2-ethyl-|2-AETHYL-1-HEXANOL|2-Aethylhexanol|2-Ethyl hexanol|2-Ethyl-1-hexyl alcohol|2-Ethylhexan-1-ol|2-ethylhexane-1-ol|2-Ethylhexanol|2-Ethylhexyl alcohol|2-etilhexan-1-ol|4-01-00-01783|Alcohol, 2-ethylhexyl|BRN 1719280|EINECS 203-234-3|Ethylhexanol|FEMA 3151|FEMA No. 3151|HEXAN-1-OL, 2-ETHYL-|NSC 9300|UNII-XZV7TAA77P|111675-57-1|2360922-23-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020605 https://doi.org/10.22427/NTP-DATA-DTXSID5020605
ERPathway2016 ERPathway2016_1080 2-Ethyl-1-hexanol 104-76-7 DTXSID5020605 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)CO 2-Ethyl-1-hexanol 104-76-7|2-Ethyl-1-hexanol|(.+-.)-2-Ethyl-1-hexanol|1-Hexanol, 2-ethyl-|2-AETHYL-1-HEXANOL|2-Aethylhexanol|2-Ethyl hexanol|2-Ethyl-1-hexyl alcohol|2-Ethylhexan-1-ol|2-ethylhexane-1-ol|2-Ethylhexanol|2-Ethylhexyl alcohol|2-etilhexan-1-ol|4-01-00-01783|Alcohol, 2-ethylhexyl|BRN 1719280|EINECS 203-234-3|Ethylhexanol|FEMA 3151|FEMA No. 3151|HEXAN-1-OL, 2-ETHYL-|NSC 9300|UNII-XZV7TAA77P|111675-57-1|2360922-23-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020605 https://doi.org/10.22427/NTP-DATA-DTXSID5020605
ERPathway2016 ERPathway2016_1080 2-Ethyl-1-hexanol 104-76-7 DTXSID5020605 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)CO 2-Ethyl-1-hexanol 104-76-7|2-Ethyl-1-hexanol|(.+-.)-2-Ethyl-1-hexanol|1-Hexanol, 2-ethyl-|2-AETHYL-1-HEXANOL|2-Aethylhexanol|2-Ethyl hexanol|2-Ethyl-1-hexyl alcohol|2-Ethylhexan-1-ol|2-ethylhexane-1-ol|2-Ethylhexanol|2-Ethylhexyl alcohol|2-etilhexan-1-ol|4-01-00-01783|Alcohol, 2-ethylhexyl|BRN 1719280|EINECS 203-234-3|Ethylhexanol|FEMA 3151|FEMA No. 3151|HEXAN-1-OL, 2-ETHYL-|NSC 9300|UNII-XZV7TAA77P|111675-57-1|2360922-23-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020605 https://doi.org/10.22427/NTP-DATA-DTXSID5020605
ERPathway2016 ERPathway2016_1080 2-Ethyl-1-hexanol 104-76-7 DTXSID5020605 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)CO 2-Ethyl-1-hexanol 104-76-7|2-Ethyl-1-hexanol|(.+-.)-2-Ethyl-1-hexanol|1-Hexanol, 2-ethyl-|2-AETHYL-1-HEXANOL|2-Aethylhexanol|2-Ethyl hexanol|2-Ethyl-1-hexyl alcohol|2-Ethylhexan-1-ol|2-ethylhexane-1-ol|2-Ethylhexanol|2-Ethylhexyl alcohol|2-etilhexan-1-ol|4-01-00-01783|Alcohol, 2-ethylhexyl|BRN 1719280|EINECS 203-234-3|Ethylhexanol|FEMA 3151|FEMA No. 3151|HEXAN-1-OL, 2-ETHYL-|NSC 9300|UNII-XZV7TAA77P|111675-57-1|2360922-23-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020605 https://doi.org/10.22427/NTP-DATA-DTXSID5020605
ERPathway2016 ERPathway2016_1080 2-Ethyl-1-hexanol 104-76-7 DTXSID5020605 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)CO 2-Ethyl-1-hexanol 104-76-7|2-Ethyl-1-hexanol|(.+-.)-2-Ethyl-1-hexanol|1-Hexanol, 2-ethyl-|2-AETHYL-1-HEXANOL|2-Aethylhexanol|2-Ethyl hexanol|2-Ethyl-1-hexyl alcohol|2-Ethylhexan-1-ol|2-ethylhexane-1-ol|2-Ethylhexanol|2-Ethylhexyl alcohol|2-etilhexan-1-ol|4-01-00-01783|Alcohol, 2-ethylhexyl|BRN 1719280|EINECS 203-234-3|Ethylhexanol|FEMA 3151|FEMA No. 3151|HEXAN-1-OL, 2-ETHYL-|NSC 9300|UNII-XZV7TAA77P|111675-57-1|2360922-23-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020605 https://doi.org/10.22427/NTP-DATA-DTXSID5020605
ARPathway2016 ARPathway2016_1440 2-Ethyl-2-hexenal 645-62-5 DTXSID4025296 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC=C(CC)C=O 2-Ethyl-2-hexenal 645-62-5|2-Ethyl-2-hexenal|2-Ethyl-2-hexen-1-al|2-Ethyl-3-propylacrolein|2-Ethyl-3-propylacrylaldehyde|2-Hexenal, 2-ethyl-|211-448-3|3-Formylhept-3-ene|Acrolein, 2-ethyl-3-propyl-|AI3-08105|alpha-Ethyl-beta-n-propylacrolein|CCRIS 4645|CKB 1364|EC 211-448-3|EC No.: 211-448-3|EINECS 211-448-3|FEMA 4612|HSDB 1120|MFCD00006983|NSC 4787|UNII-69YL9T443B|a-Ethyl-2-hexenal|a-Ethyl-b-propylacrolein|1197009-33-8|128744-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025296 https://doi.org/10.22427/NTP-DATA-DTXSID4025296
ARPathway2016 ARPathway2016_1440 2-Ethyl-2-hexenal 645-62-5 DTXSID4025296 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCCC=C(CC)C=O 2-Ethyl-2-hexenal 645-62-5|2-Ethyl-2-hexenal|2-Ethyl-2-hexen-1-al|2-Ethyl-3-propylacrolein|2-Ethyl-3-propylacrylaldehyde|2-Hexenal, 2-ethyl-|211-448-3|3-Formylhept-3-ene|Acrolein, 2-ethyl-3-propyl-|AI3-08105|alpha-Ethyl-beta-n-propylacrolein|CCRIS 4645|CKB 1364|EC 211-448-3|EC No.: 211-448-3|EINECS 211-448-3|FEMA 4612|HSDB 1120|MFCD00006983|NSC 4787|UNII-69YL9T443B|a-Ethyl-2-hexenal|a-Ethyl-b-propylacrolein|1197009-33-8|128744-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025296 https://doi.org/10.22427/NTP-DATA-DTXSID4025296
ARPathway2016 ARPathway2016_1440 2-Ethyl-2-hexenal 645-62-5 DTXSID4025296 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCCC=C(CC)C=O 2-Ethyl-2-hexenal 645-62-5|2-Ethyl-2-hexenal|2-Ethyl-2-hexen-1-al|2-Ethyl-3-propylacrolein|2-Ethyl-3-propylacrylaldehyde|2-Hexenal, 2-ethyl-|211-448-3|3-Formylhept-3-ene|Acrolein, 2-ethyl-3-propyl-|AI3-08105|alpha-Ethyl-beta-n-propylacrolein|CCRIS 4645|CKB 1364|EC 211-448-3|EC No.: 211-448-3|EINECS 211-448-3|FEMA 4612|HSDB 1120|MFCD00006983|NSC 4787|UNII-69YL9T443B|a-Ethyl-2-hexenal|a-Ethyl-b-propylacrolein|1197009-33-8|128744-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025296 https://doi.org/10.22427/NTP-DATA-DTXSID4025296
ARPathway2016 ARPathway2016_1440 2-Ethyl-2-hexenal 645-62-5 DTXSID4025296 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCCC=C(CC)C=O 2-Ethyl-2-hexenal 645-62-5|2-Ethyl-2-hexenal|2-Ethyl-2-hexen-1-al|2-Ethyl-3-propylacrolein|2-Ethyl-3-propylacrylaldehyde|2-Hexenal, 2-ethyl-|211-448-3|3-Formylhept-3-ene|Acrolein, 2-ethyl-3-propyl-|AI3-08105|alpha-Ethyl-beta-n-propylacrolein|CCRIS 4645|CKB 1364|EC 211-448-3|EC No.: 211-448-3|EINECS 211-448-3|FEMA 4612|HSDB 1120|MFCD00006983|NSC 4787|UNII-69YL9T443B|a-Ethyl-2-hexenal|a-Ethyl-b-propylacrolein|1197009-33-8|128744-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025296 https://doi.org/10.22427/NTP-DATA-DTXSID4025296
ERPathway2016 ERPathway2016_1595 2-Ethyl-2-hexenal 645-62-5 DTXSID4025296 ER Pathway Model, Agonist Model Score 0 Unitless CCCC=C(CC)C=O 2-Ethyl-2-hexenal 645-62-5|2-Ethyl-2-hexenal|2-Ethyl-2-hexen-1-al|2-Ethyl-3-propylacrolein|2-Ethyl-3-propylacrylaldehyde|2-Hexenal, 2-ethyl-|211-448-3|3-Formylhept-3-ene|Acrolein, 2-ethyl-3-propyl-|AI3-08105|alpha-Ethyl-beta-n-propylacrolein|CCRIS 4645|CKB 1364|EC 211-448-3|EC No.: 211-448-3|EINECS 211-448-3|FEMA 4612|HSDB 1120|MFCD00006983|NSC 4787|UNII-69YL9T443B|a-Ethyl-2-hexenal|a-Ethyl-b-propylacrolein|1197009-33-8|128744-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025296 https://doi.org/10.22427/NTP-DATA-DTXSID4025296
ERPathway2016 ERPathway2016_1595 2-Ethyl-2-hexenal 645-62-5 DTXSID4025296 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC=C(CC)C=O 2-Ethyl-2-hexenal 645-62-5|2-Ethyl-2-hexenal|2-Ethyl-2-hexen-1-al|2-Ethyl-3-propylacrolein|2-Ethyl-3-propylacrylaldehyde|2-Hexenal, 2-ethyl-|211-448-3|3-Formylhept-3-ene|Acrolein, 2-ethyl-3-propyl-|AI3-08105|alpha-Ethyl-beta-n-propylacrolein|CCRIS 4645|CKB 1364|EC 211-448-3|EC No.: 211-448-3|EINECS 211-448-3|FEMA 4612|HSDB 1120|MFCD00006983|NSC 4787|UNII-69YL9T443B|a-Ethyl-2-hexenal|a-Ethyl-b-propylacrolein|1197009-33-8|128744-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025296 https://doi.org/10.22427/NTP-DATA-DTXSID4025296
ERPathway2016 ERPathway2016_1595 2-Ethyl-2-hexenal 645-62-5 DTXSID4025296 ER Pathway Model, Agonist Call Inactive Unitless CCCC=C(CC)C=O 2-Ethyl-2-hexenal 645-62-5|2-Ethyl-2-hexenal|2-Ethyl-2-hexen-1-al|2-Ethyl-3-propylacrolein|2-Ethyl-3-propylacrylaldehyde|2-Hexenal, 2-ethyl-|211-448-3|3-Formylhept-3-ene|Acrolein, 2-ethyl-3-propyl-|AI3-08105|alpha-Ethyl-beta-n-propylacrolein|CCRIS 4645|CKB 1364|EC 211-448-3|EC No.: 211-448-3|EINECS 211-448-3|FEMA 4612|HSDB 1120|MFCD00006983|NSC 4787|UNII-69YL9T443B|a-Ethyl-2-hexenal|a-Ethyl-b-propylacrolein|1197009-33-8|128744-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025296 https://doi.org/10.22427/NTP-DATA-DTXSID4025296
ERPathway2016 ERPathway2016_1595 2-Ethyl-2-hexenal 645-62-5 DTXSID4025296 ER Pathway Model, Antagonist Call Inactive Unitless CCCC=C(CC)C=O 2-Ethyl-2-hexenal 645-62-5|2-Ethyl-2-hexenal|2-Ethyl-2-hexen-1-al|2-Ethyl-3-propylacrolein|2-Ethyl-3-propylacrylaldehyde|2-Hexenal, 2-ethyl-|211-448-3|3-Formylhept-3-ene|Acrolein, 2-ethyl-3-propyl-|AI3-08105|alpha-Ethyl-beta-n-propylacrolein|CCRIS 4645|CKB 1364|EC 211-448-3|EC No.: 211-448-3|EINECS 211-448-3|FEMA 4612|HSDB 1120|MFCD00006983|NSC 4787|UNII-69YL9T443B|a-Ethyl-2-hexenal|a-Ethyl-b-propylacrolein|1197009-33-8|128744-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025296 https://doi.org/10.22427/NTP-DATA-DTXSID4025296
ARPathway2016 ARPathway2016_1237 2-Ethyl-3-hydroxy-4-pyrone 4940-11-8 DTXSID5041516 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCC1=C(O)C(=O)C=CO1 2-Ethyl-3-hydroxy-4-pyrone 4940-11-8|2-Ethyl-3-hydroxy-4-pyrone|2-Ethyl pyromeconic acid|2-Ethyl-3-hydroxy-4H-pyran-4-one|2-Ethylpyromeconic acid|3-Hydroxy-2-ethyl-1,4-pyrone|3-Hydroxy-2-ethyl-4-pyrone|3-Hydroxy-2-ethyl-4H-pyran-4-one|3-Hydroxy-2-ethyl-gamma-pyrone|4H-Pyran-4-one, 2-ethyl-3-hydroxy-|5-18-01-00135|BRN 1618110|EINECS 225-582-5|Ethyl maltol|FEMA No. 3487|UNII-L6Q8K29L05|Veltol plus https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041516
ARPathway2016 ARPathway2016_1237 2-Ethyl-3-hydroxy-4-pyrone 4940-11-8 DTXSID5041516 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCC1=C(O)C(=O)C=CO1 2-Ethyl-3-hydroxy-4-pyrone 4940-11-8|2-Ethyl-3-hydroxy-4-pyrone|2-Ethyl pyromeconic acid|2-Ethyl-3-hydroxy-4H-pyran-4-one|2-Ethylpyromeconic acid|3-Hydroxy-2-ethyl-1,4-pyrone|3-Hydroxy-2-ethyl-4-pyrone|3-Hydroxy-2-ethyl-4H-pyran-4-one|3-Hydroxy-2-ethyl-gamma-pyrone|4H-Pyran-4-one, 2-ethyl-3-hydroxy-|5-18-01-00135|BRN 1618110|EINECS 225-582-5|Ethyl maltol|FEMA No. 3487|UNII-L6Q8K29L05|Veltol plus https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041516
ARPathway2016 ARPathway2016_1237 2-Ethyl-3-hydroxy-4-pyrone 4940-11-8 DTXSID5041516 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCC1=C(O)C(=O)C=CO1 2-Ethyl-3-hydroxy-4-pyrone 4940-11-8|2-Ethyl-3-hydroxy-4-pyrone|2-Ethyl pyromeconic acid|2-Ethyl-3-hydroxy-4H-pyran-4-one|2-Ethylpyromeconic acid|3-Hydroxy-2-ethyl-1,4-pyrone|3-Hydroxy-2-ethyl-4-pyrone|3-Hydroxy-2-ethyl-4H-pyran-4-one|3-Hydroxy-2-ethyl-gamma-pyrone|4H-Pyran-4-one, 2-ethyl-3-hydroxy-|5-18-01-00135|BRN 1618110|EINECS 225-582-5|Ethyl maltol|FEMA No. 3487|UNII-L6Q8K29L05|Veltol plus https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041516
ARPathway2016 ARPathway2016_1237 2-Ethyl-3-hydroxy-4-pyrone 4940-11-8 DTXSID5041516 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCC1=C(O)C(=O)C=CO1 2-Ethyl-3-hydroxy-4-pyrone 4940-11-8|2-Ethyl-3-hydroxy-4-pyrone|2-Ethyl pyromeconic acid|2-Ethyl-3-hydroxy-4H-pyran-4-one|2-Ethylpyromeconic acid|3-Hydroxy-2-ethyl-1,4-pyrone|3-Hydroxy-2-ethyl-4-pyrone|3-Hydroxy-2-ethyl-4H-pyran-4-one|3-Hydroxy-2-ethyl-gamma-pyrone|4H-Pyran-4-one, 2-ethyl-3-hydroxy-|5-18-01-00135|BRN 1618110|EINECS 225-582-5|Ethyl maltol|FEMA No. 3487|UNII-L6Q8K29L05|Veltol plus https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041516
ERPathway2016 ERPathway2016_755 2-Ethyl-3-hydroxy-4-pyrone 4940-11-8 DTXSID5041516 A13 ER Pathway Model, Agonist Model Score 0 Unitless CCC1=C(O)C(=O)C=CO1 2-Ethyl-3-hydroxy-4-pyrone 4940-11-8|2-Ethyl-3-hydroxy-4-pyrone|2-Ethyl pyromeconic acid|2-Ethyl-3-hydroxy-4H-pyran-4-one|2-Ethylpyromeconic acid|3-Hydroxy-2-ethyl-1,4-pyrone|3-Hydroxy-2-ethyl-4-pyrone|3-Hydroxy-2-ethyl-4H-pyran-4-one|3-Hydroxy-2-ethyl-gamma-pyrone|4H-Pyran-4-one, 2-ethyl-3-hydroxy-|5-18-01-00135|BRN 1618110|EINECS 225-582-5|Ethyl maltol|FEMA No. 3487|UNII-L6Q8K29L05|Veltol plus https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041516
ERPathway2016 ERPathway2016_755 2-Ethyl-3-hydroxy-4-pyrone 4940-11-8 DTXSID5041516 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=C(O)C(=O)C=CO1 2-Ethyl-3-hydroxy-4-pyrone 4940-11-8|2-Ethyl-3-hydroxy-4-pyrone|2-Ethyl pyromeconic acid|2-Ethyl-3-hydroxy-4H-pyran-4-one|2-Ethylpyromeconic acid|3-Hydroxy-2-ethyl-1,4-pyrone|3-Hydroxy-2-ethyl-4-pyrone|3-Hydroxy-2-ethyl-4H-pyran-4-one|3-Hydroxy-2-ethyl-gamma-pyrone|4H-Pyran-4-one, 2-ethyl-3-hydroxy-|5-18-01-00135|BRN 1618110|EINECS 225-582-5|Ethyl maltol|FEMA No. 3487|UNII-L6Q8K29L05|Veltol plus https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041516
ERPathway2016 ERPathway2016_755 2-Ethyl-3-hydroxy-4-pyrone 4940-11-8 DTXSID5041516 A13 ER Pathway Model, Agonist Call Inactive Unitless CCC1=C(O)C(=O)C=CO1 2-Ethyl-3-hydroxy-4-pyrone 4940-11-8|2-Ethyl-3-hydroxy-4-pyrone|2-Ethyl pyromeconic acid|2-Ethyl-3-hydroxy-4H-pyran-4-one|2-Ethylpyromeconic acid|3-Hydroxy-2-ethyl-1,4-pyrone|3-Hydroxy-2-ethyl-4-pyrone|3-Hydroxy-2-ethyl-4H-pyran-4-one|3-Hydroxy-2-ethyl-gamma-pyrone|4H-Pyran-4-one, 2-ethyl-3-hydroxy-|5-18-01-00135|BRN 1618110|EINECS 225-582-5|Ethyl maltol|FEMA No. 3487|UNII-L6Q8K29L05|Veltol plus https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041516
ERPathway2016 ERPathway2016_755 2-Ethyl-3-hydroxy-4-pyrone 4940-11-8 DTXSID5041516 A13 ER Pathway Model, Antagonist Call Inactive Unitless CCC1=C(O)C(=O)C=CO1 2-Ethyl-3-hydroxy-4-pyrone 4940-11-8|2-Ethyl-3-hydroxy-4-pyrone|2-Ethyl pyromeconic acid|2-Ethyl-3-hydroxy-4H-pyran-4-one|2-Ethylpyromeconic acid|3-Hydroxy-2-ethyl-1,4-pyrone|3-Hydroxy-2-ethyl-4-pyrone|3-Hydroxy-2-ethyl-4H-pyran-4-one|3-Hydroxy-2-ethyl-gamma-pyrone|4H-Pyran-4-one, 2-ethyl-3-hydroxy-|5-18-01-00135|BRN 1618110|EINECS 225-582-5|Ethyl maltol|FEMA No. 3487|UNII-L6Q8K29L05|Veltol plus https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041516
ARPathway2016 ARPathway2016_1038 2-Ethyl-6-methylaniline 24549-06-2 DTXSID7027833 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC1=CC=CC(C)=C1N 2-Ethyl-6-methylaniline 24549-06-2|2-Ethyl-6-methylaniline|(2-Ethyl-6-methylphenyl)amine|2-Ethyl-6-methylbenzenamine|2-Methyl-6-ethylaniline|4-12-00-02638|6-Ethyl-2-methylaniline|6-Ethyl-2-toluidine|6-Ethyl-o-toluidine|Acetochlor metabolite EMA|Benzenamine, 2-ethyl-6-methyl-|BRN 2079468|C 25702|CGA-212245|EC No.: 246-309-6|EINECS 246-309-6|o-Toluidine, 6-ethyl-|UNII-32Y3271G51 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027833 https://doi.org/10.22427/NTP-DATA-DTXSID7027833
ARPathway2016 ARPathway2016_1038 2-Ethyl-6-methylaniline 24549-06-2 DTXSID7027833 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC1=CC=CC(C)=C1N 2-Ethyl-6-methylaniline 24549-06-2|2-Ethyl-6-methylaniline|(2-Ethyl-6-methylphenyl)amine|2-Ethyl-6-methylbenzenamine|2-Methyl-6-ethylaniline|4-12-00-02638|6-Ethyl-2-methylaniline|6-Ethyl-2-toluidine|6-Ethyl-o-toluidine|Acetochlor metabolite EMA|Benzenamine, 2-ethyl-6-methyl-|BRN 2079468|C 25702|CGA-212245|EC No.: 246-309-6|EINECS 246-309-6|o-Toluidine, 6-ethyl-|UNII-32Y3271G51 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027833 https://doi.org/10.22427/NTP-DATA-DTXSID7027833
ARPathway2016 ARPathway2016_1038 2-Ethyl-6-methylaniline 24549-06-2 DTXSID7027833 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC1=CC=CC(C)=C1N 2-Ethyl-6-methylaniline 24549-06-2|2-Ethyl-6-methylaniline|(2-Ethyl-6-methylphenyl)amine|2-Ethyl-6-methylbenzenamine|2-Methyl-6-ethylaniline|4-12-00-02638|6-Ethyl-2-methylaniline|6-Ethyl-2-toluidine|6-Ethyl-o-toluidine|Acetochlor metabolite EMA|Benzenamine, 2-ethyl-6-methyl-|BRN 2079468|C 25702|CGA-212245|EC No.: 246-309-6|EINECS 246-309-6|o-Toluidine, 6-ethyl-|UNII-32Y3271G51 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027833 https://doi.org/10.22427/NTP-DATA-DTXSID7027833
ARPathway2016 ARPathway2016_1038 2-Ethyl-6-methylaniline 24549-06-2 DTXSID7027833 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC1=CC=CC(C)=C1N 2-Ethyl-6-methylaniline 24549-06-2|2-Ethyl-6-methylaniline|(2-Ethyl-6-methylphenyl)amine|2-Ethyl-6-methylbenzenamine|2-Methyl-6-ethylaniline|4-12-00-02638|6-Ethyl-2-methylaniline|6-Ethyl-2-toluidine|6-Ethyl-o-toluidine|Acetochlor metabolite EMA|Benzenamine, 2-ethyl-6-methyl-|BRN 2079468|C 25702|CGA-212245|EC No.: 246-309-6|EINECS 246-309-6|o-Toluidine, 6-ethyl-|UNII-32Y3271G51 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027833 https://doi.org/10.22427/NTP-DATA-DTXSID7027833
ERPathway2016 ERPathway2016_440 2-Ethyl-6-methylaniline 24549-06-2 DTXSID7027833 ER Pathway Model, Antagonist AC50 43.8693475882589 uM CCC1=CC=CC(C)=C1N 2-Ethyl-6-methylaniline 24549-06-2|2-Ethyl-6-methylaniline|(2-Ethyl-6-methylphenyl)amine|2-Ethyl-6-methylbenzenamine|2-Methyl-6-ethylaniline|4-12-00-02638|6-Ethyl-2-methylaniline|6-Ethyl-2-toluidine|6-Ethyl-o-toluidine|Acetochlor metabolite EMA|Benzenamine, 2-ethyl-6-methyl-|BRN 2079468|C 25702|CGA-212245|EC No.: 246-309-6|EINECS 246-309-6|o-Toluidine, 6-ethyl-|UNII-32Y3271G51 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027833 https://doi.org/10.22427/NTP-DATA-DTXSID7027833
ERPathway2016 ERPathway2016_440 2-Ethyl-6-methylaniline 24549-06-2 DTXSID7027833 ER Pathway Model, Antagonist ACC 46.6792650206611 uM CCC1=CC=CC(C)=C1N 2-Ethyl-6-methylaniline 24549-06-2|2-Ethyl-6-methylaniline|(2-Ethyl-6-methylphenyl)amine|2-Ethyl-6-methylbenzenamine|2-Methyl-6-ethylaniline|4-12-00-02638|6-Ethyl-2-methylaniline|6-Ethyl-2-toluidine|6-Ethyl-o-toluidine|Acetochlor metabolite EMA|Benzenamine, 2-ethyl-6-methyl-|BRN 2079468|C 25702|CGA-212245|EC No.: 246-309-6|EINECS 246-309-6|o-Toluidine, 6-ethyl-|UNII-32Y3271G51 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027833 https://doi.org/10.22427/NTP-DATA-DTXSID7027833
ERPathway2016 ERPathway2016_440 2-Ethyl-6-methylaniline 24549-06-2 DTXSID7027833 ER Pathway Model, Agonist Model Score 0.00519 Unitless CCC1=CC=CC(C)=C1N 2-Ethyl-6-methylaniline 24549-06-2|2-Ethyl-6-methylaniline|(2-Ethyl-6-methylphenyl)amine|2-Ethyl-6-methylbenzenamine|2-Methyl-6-ethylaniline|4-12-00-02638|6-Ethyl-2-methylaniline|6-Ethyl-2-toluidine|6-Ethyl-o-toluidine|Acetochlor metabolite EMA|Benzenamine, 2-ethyl-6-methyl-|BRN 2079468|C 25702|CGA-212245|EC No.: 246-309-6|EINECS 246-309-6|o-Toluidine, 6-ethyl-|UNII-32Y3271G51 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027833 https://doi.org/10.22427/NTP-DATA-DTXSID7027833
ERPathway2016 ERPathway2016_440 2-Ethyl-6-methylaniline 24549-06-2 DTXSID7027833 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=CC=CC(C)=C1N 2-Ethyl-6-methylaniline 24549-06-2|2-Ethyl-6-methylaniline|(2-Ethyl-6-methylphenyl)amine|2-Ethyl-6-methylbenzenamine|2-Methyl-6-ethylaniline|4-12-00-02638|6-Ethyl-2-methylaniline|6-Ethyl-2-toluidine|6-Ethyl-o-toluidine|Acetochlor metabolite EMA|Benzenamine, 2-ethyl-6-methyl-|BRN 2079468|C 25702|CGA-212245|EC No.: 246-309-6|EINECS 246-309-6|o-Toluidine, 6-ethyl-|UNII-32Y3271G51 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027833 https://doi.org/10.22427/NTP-DATA-DTXSID7027833
ERPathway2016 ERPathway2016_440 2-Ethyl-6-methylaniline 24549-06-2 DTXSID7027833 ER Pathway Model, Agonist Call Inactive Unitless CCC1=CC=CC(C)=C1N 2-Ethyl-6-methylaniline 24549-06-2|2-Ethyl-6-methylaniline|(2-Ethyl-6-methylphenyl)amine|2-Ethyl-6-methylbenzenamine|2-Methyl-6-ethylaniline|4-12-00-02638|6-Ethyl-2-methylaniline|6-Ethyl-2-toluidine|6-Ethyl-o-toluidine|Acetochlor metabolite EMA|Benzenamine, 2-ethyl-6-methyl-|BRN 2079468|C 25702|CGA-212245|EC No.: 246-309-6|EINECS 246-309-6|o-Toluidine, 6-ethyl-|UNII-32Y3271G51 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027833 https://doi.org/10.22427/NTP-DATA-DTXSID7027833
ERPathway2016 ERPathway2016_440 2-Ethyl-6-methylaniline 24549-06-2 DTXSID7027833 ER Pathway Model, Antagonist Call Active Unitless CCC1=CC=CC(C)=C1N 2-Ethyl-6-methylaniline 24549-06-2|2-Ethyl-6-methylaniline|(2-Ethyl-6-methylphenyl)amine|2-Ethyl-6-methylbenzenamine|2-Methyl-6-ethylaniline|4-12-00-02638|6-Ethyl-2-methylaniline|6-Ethyl-2-toluidine|6-Ethyl-o-toluidine|Acetochlor metabolite EMA|Benzenamine, 2-ethyl-6-methyl-|BRN 2079468|C 25702|CGA-212245|EC No.: 246-309-6|EINECS 246-309-6|o-Toluidine, 6-ethyl-|UNII-32Y3271G51 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027833 https://doi.org/10.22427/NTP-DATA-DTXSID7027833
ARPathway2016 ARPathway2016_710 2-Ethylhexaldehyde 123-05-7 DTXSID9025291 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)C=O 2-Ethylhexaldehyde 123-05-7|2-Ethylhexaldehyde|(.+-.)-2-Ethylhexanal|2-Ethylcaproaldehyde|2-Ethylhexaldehyde|2-ethylhexan-1-al|2-Ethylhexanal|2-Ethylhexylaldehyde|2-etilhexanal|3-Formylheptane|4-01-00-03345|ALPHA-AETHYLCAPRONALDEHYD|alpha-ethylcaproaldehyde|alpha-ethylhexanal|beta-propyl-alpha-ethylacrolein|BRN 1700556|Butyl ethyl acetaldehyde|Butylethylacetaldehyde|Caproaldehyde, a-ethyl-|EINECS 204-596-5|ETHYL HEXALDEHYDE|Ethylbutylacetaldehyde|Ethylhexaldehyde|Hexanal, 2-ethyl-|NSC 42871|Octyl aldehyde|UN 1191|a-Ethylcaproaldehyde|a-Ethylhexanal|58712-00-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025291 https://doi.org/10.22427/NTP-DATA-DTXSID9025291
ARPathway2016 ARPathway2016_710 2-Ethylhexaldehyde 123-05-7 DTXSID9025291 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)C=O 2-Ethylhexaldehyde 123-05-7|2-Ethylhexaldehyde|(.+-.)-2-Ethylhexanal|2-Ethylcaproaldehyde|2-Ethylhexaldehyde|2-ethylhexan-1-al|2-Ethylhexanal|2-Ethylhexylaldehyde|2-etilhexanal|3-Formylheptane|4-01-00-03345|ALPHA-AETHYLCAPRONALDEHYD|alpha-ethylcaproaldehyde|alpha-ethylhexanal|beta-propyl-alpha-ethylacrolein|BRN 1700556|Butyl ethyl acetaldehyde|Butylethylacetaldehyde|Caproaldehyde, a-ethyl-|EINECS 204-596-5|ETHYL HEXALDEHYDE|Ethylbutylacetaldehyde|Ethylhexaldehyde|Hexanal, 2-ethyl-|NSC 42871|Octyl aldehyde|UN 1191|a-Ethylcaproaldehyde|a-Ethylhexanal|58712-00-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025291 https://doi.org/10.22427/NTP-DATA-DTXSID9025291
ARPathway2016 ARPathway2016_710 2-Ethylhexaldehyde 123-05-7 DTXSID9025291 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)C=O 2-Ethylhexaldehyde 123-05-7|2-Ethylhexaldehyde|(.+-.)-2-Ethylhexanal|2-Ethylcaproaldehyde|2-Ethylhexaldehyde|2-ethylhexan-1-al|2-Ethylhexanal|2-Ethylhexylaldehyde|2-etilhexanal|3-Formylheptane|4-01-00-03345|ALPHA-AETHYLCAPRONALDEHYD|alpha-ethylcaproaldehyde|alpha-ethylhexanal|beta-propyl-alpha-ethylacrolein|BRN 1700556|Butyl ethyl acetaldehyde|Butylethylacetaldehyde|Caproaldehyde, a-ethyl-|EINECS 204-596-5|ETHYL HEXALDEHYDE|Ethylbutylacetaldehyde|Ethylhexaldehyde|Hexanal, 2-ethyl-|NSC 42871|Octyl aldehyde|UN 1191|a-Ethylcaproaldehyde|a-Ethylhexanal|58712-00-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025291 https://doi.org/10.22427/NTP-DATA-DTXSID9025291
ARPathway2016 ARPathway2016_710 2-Ethylhexaldehyde 123-05-7 DTXSID9025291 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)C=O 2-Ethylhexaldehyde 123-05-7|2-Ethylhexaldehyde|(.+-.)-2-Ethylhexanal|2-Ethylcaproaldehyde|2-Ethylhexaldehyde|2-ethylhexan-1-al|2-Ethylhexanal|2-Ethylhexylaldehyde|2-etilhexanal|3-Formylheptane|4-01-00-03345|ALPHA-AETHYLCAPRONALDEHYD|alpha-ethylcaproaldehyde|alpha-ethylhexanal|beta-propyl-alpha-ethylacrolein|BRN 1700556|Butyl ethyl acetaldehyde|Butylethylacetaldehyde|Caproaldehyde, a-ethyl-|EINECS 204-596-5|ETHYL HEXALDEHYDE|Ethylbutylacetaldehyde|Ethylhexaldehyde|Hexanal, 2-ethyl-|NSC 42871|Octyl aldehyde|UN 1191|a-Ethylcaproaldehyde|a-Ethylhexanal|58712-00-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025291 https://doi.org/10.22427/NTP-DATA-DTXSID9025291
ERPathway2016 ERPathway2016_1229 2-Ethylhexaldehyde 123-05-7 DTXSID9025291 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)C=O 2-Ethylhexaldehyde 123-05-7|2-Ethylhexaldehyde|(.+-.)-2-Ethylhexanal|2-Ethylcaproaldehyde|2-Ethylhexaldehyde|2-ethylhexan-1-al|2-Ethylhexanal|2-Ethylhexylaldehyde|2-etilhexanal|3-Formylheptane|4-01-00-03345|ALPHA-AETHYLCAPRONALDEHYD|alpha-ethylcaproaldehyde|alpha-ethylhexanal|beta-propyl-alpha-ethylacrolein|BRN 1700556|Butyl ethyl acetaldehyde|Butylethylacetaldehyde|Caproaldehyde, a-ethyl-|EINECS 204-596-5|ETHYL HEXALDEHYDE|Ethylbutylacetaldehyde|Ethylhexaldehyde|Hexanal, 2-ethyl-|NSC 42871|Octyl aldehyde|UN 1191|a-Ethylcaproaldehyde|a-Ethylhexanal|58712-00-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025291 https://doi.org/10.22427/NTP-DATA-DTXSID9025291
ERPathway2016 ERPathway2016_1229 2-Ethylhexaldehyde 123-05-7 DTXSID9025291 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)C=O 2-Ethylhexaldehyde 123-05-7|2-Ethylhexaldehyde|(.+-.)-2-Ethylhexanal|2-Ethylcaproaldehyde|2-Ethylhexaldehyde|2-ethylhexan-1-al|2-Ethylhexanal|2-Ethylhexylaldehyde|2-etilhexanal|3-Formylheptane|4-01-00-03345|ALPHA-AETHYLCAPRONALDEHYD|alpha-ethylcaproaldehyde|alpha-ethylhexanal|beta-propyl-alpha-ethylacrolein|BRN 1700556|Butyl ethyl acetaldehyde|Butylethylacetaldehyde|Caproaldehyde, a-ethyl-|EINECS 204-596-5|ETHYL HEXALDEHYDE|Ethylbutylacetaldehyde|Ethylhexaldehyde|Hexanal, 2-ethyl-|NSC 42871|Octyl aldehyde|UN 1191|a-Ethylcaproaldehyde|a-Ethylhexanal|58712-00-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025291 https://doi.org/10.22427/NTP-DATA-DTXSID9025291
ERPathway2016 ERPathway2016_1229 2-Ethylhexaldehyde 123-05-7 DTXSID9025291 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)C=O 2-Ethylhexaldehyde 123-05-7|2-Ethylhexaldehyde|(.+-.)-2-Ethylhexanal|2-Ethylcaproaldehyde|2-Ethylhexaldehyde|2-ethylhexan-1-al|2-Ethylhexanal|2-Ethylhexylaldehyde|2-etilhexanal|3-Formylheptane|4-01-00-03345|ALPHA-AETHYLCAPRONALDEHYD|alpha-ethylcaproaldehyde|alpha-ethylhexanal|beta-propyl-alpha-ethylacrolein|BRN 1700556|Butyl ethyl acetaldehyde|Butylethylacetaldehyde|Caproaldehyde, a-ethyl-|EINECS 204-596-5|ETHYL HEXALDEHYDE|Ethylbutylacetaldehyde|Ethylhexaldehyde|Hexanal, 2-ethyl-|NSC 42871|Octyl aldehyde|UN 1191|a-Ethylcaproaldehyde|a-Ethylhexanal|58712-00-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025291 https://doi.org/10.22427/NTP-DATA-DTXSID9025291
ERPathway2016 ERPathway2016_1229 2-Ethylhexaldehyde 123-05-7 DTXSID9025291 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)C=O 2-Ethylhexaldehyde 123-05-7|2-Ethylhexaldehyde|(.+-.)-2-Ethylhexanal|2-Ethylcaproaldehyde|2-Ethylhexaldehyde|2-ethylhexan-1-al|2-Ethylhexanal|2-Ethylhexylaldehyde|2-etilhexanal|3-Formylheptane|4-01-00-03345|ALPHA-AETHYLCAPRONALDEHYD|alpha-ethylcaproaldehyde|alpha-ethylhexanal|beta-propyl-alpha-ethylacrolein|BRN 1700556|Butyl ethyl acetaldehyde|Butylethylacetaldehyde|Caproaldehyde, a-ethyl-|EINECS 204-596-5|ETHYL HEXALDEHYDE|Ethylbutylacetaldehyde|Ethylhexaldehyde|Hexanal, 2-ethyl-|NSC 42871|Octyl aldehyde|UN 1191|a-Ethylcaproaldehyde|a-Ethylhexanal|58712-00-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025291 https://doi.org/10.22427/NTP-DATA-DTXSID9025291
ARPathway2016 ARPathway2016_876 2-Ethylhexanoic acid 149-57-5 DTXSID9025293 1.0 A9 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)C(O)=O 2-Ethylhexanoic acid 149-57-5|2-Ethylhexanoic acid|(.+-.)-2-Ethylhexanoic acid|(+/-)-2-ETHYLHEXANOIC ACID|2-AETHYLCAPRONSAEURE|2-Butylbutanoic acid|2-Ethyl hexanoic acid|2-Ethyl-1-hexanoic acid|2-Ethyl-hexoic acid|2-Ethyl-Hexonic acid|2-Ethylcaproic acid|2-Ethylcapronic acid|2-Ethylhexansaeure|2-Ethylhexansaure|2-Ethylhexoic acid|3-Heptanecarboxylic acid|Acide 2-ethylhexanoique|acido 2-etilhexanoico|alpha-Ethylcaproic acid|alpha-Ethylhexanoic acid|BRN 1750468|Butylethylacetic acid|Caproic acid, a-ethyl-|EINECS 205-743-6|Ethyl hexanoic acid|ETHYL HEXANOIC ACID, 2-|Ethylhexanoic acid|Ethylhexoic acid|Hexanoic acid, 2-ethyl-|Kyselina 2-ethylkapronova|Kyselina heptan-3-karboxylova|NSC 8881|UNII-01MU2J7VVZ|a-Ethylcaproic acid|a-Ethylhexanoic acid|202054-39-5|83829-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025293 https://doi.org/10.22427/NTP-DATA-DTXSID9025293
ARPathway2016 ARPathway2016_876 2-Ethylhexanoic acid 149-57-5 DTXSID9025293 1.0 A9 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)C(O)=O 2-Ethylhexanoic acid 149-57-5|2-Ethylhexanoic acid|(.+-.)-2-Ethylhexanoic acid|(+/-)-2-ETHYLHEXANOIC ACID|2-AETHYLCAPRONSAEURE|2-Butylbutanoic acid|2-Ethyl hexanoic acid|2-Ethyl-1-hexanoic acid|2-Ethyl-hexoic acid|2-Ethyl-Hexonic acid|2-Ethylcaproic acid|2-Ethylcapronic acid|2-Ethylhexansaeure|2-Ethylhexansaure|2-Ethylhexoic acid|3-Heptanecarboxylic acid|Acide 2-ethylhexanoique|acido 2-etilhexanoico|alpha-Ethylcaproic acid|alpha-Ethylhexanoic acid|BRN 1750468|Butylethylacetic acid|Caproic acid, a-ethyl-|EINECS 205-743-6|Ethyl hexanoic acid|ETHYL HEXANOIC ACID, 2-|Ethylhexanoic acid|Ethylhexoic acid|Hexanoic acid, 2-ethyl-|Kyselina 2-ethylkapronova|Kyselina heptan-3-karboxylova|NSC 8881|UNII-01MU2J7VVZ|a-Ethylcaproic acid|a-Ethylhexanoic acid|202054-39-5|83829-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025293 https://doi.org/10.22427/NTP-DATA-DTXSID9025293
ARPathway2016 ARPathway2016_876 2-Ethylhexanoic acid 149-57-5 DTXSID9025293 1.0 A9 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)C(O)=O 2-Ethylhexanoic acid 149-57-5|2-Ethylhexanoic acid|(.+-.)-2-Ethylhexanoic acid|(+/-)-2-ETHYLHEXANOIC ACID|2-AETHYLCAPRONSAEURE|2-Butylbutanoic acid|2-Ethyl hexanoic acid|2-Ethyl-1-hexanoic acid|2-Ethyl-hexoic acid|2-Ethyl-Hexonic acid|2-Ethylcaproic acid|2-Ethylcapronic acid|2-Ethylhexansaeure|2-Ethylhexansaure|2-Ethylhexoic acid|3-Heptanecarboxylic acid|Acide 2-ethylhexanoique|acido 2-etilhexanoico|alpha-Ethylcaproic acid|alpha-Ethylhexanoic acid|BRN 1750468|Butylethylacetic acid|Caproic acid, a-ethyl-|EINECS 205-743-6|Ethyl hexanoic acid|ETHYL HEXANOIC ACID, 2-|Ethylhexanoic acid|Ethylhexoic acid|Hexanoic acid, 2-ethyl-|Kyselina 2-ethylkapronova|Kyselina heptan-3-karboxylova|NSC 8881|UNII-01MU2J7VVZ|a-Ethylcaproic acid|a-Ethylhexanoic acid|202054-39-5|83829-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025293 https://doi.org/10.22427/NTP-DATA-DTXSID9025293
ARPathway2016 ARPathway2016_876 2-Ethylhexanoic acid 149-57-5 DTXSID9025293 1.0 A9 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)C(O)=O 2-Ethylhexanoic acid 149-57-5|2-Ethylhexanoic acid|(.+-.)-2-Ethylhexanoic acid|(+/-)-2-ETHYLHEXANOIC ACID|2-AETHYLCAPRONSAEURE|2-Butylbutanoic acid|2-Ethyl hexanoic acid|2-Ethyl-1-hexanoic acid|2-Ethyl-hexoic acid|2-Ethyl-Hexonic acid|2-Ethylcaproic acid|2-Ethylcapronic acid|2-Ethylhexansaeure|2-Ethylhexansaure|2-Ethylhexoic acid|3-Heptanecarboxylic acid|Acide 2-ethylhexanoique|acido 2-etilhexanoico|alpha-Ethylcaproic acid|alpha-Ethylhexanoic acid|BRN 1750468|Butylethylacetic acid|Caproic acid, a-ethyl-|EINECS 205-743-6|Ethyl hexanoic acid|ETHYL HEXANOIC ACID, 2-|Ethylhexanoic acid|Ethylhexoic acid|Hexanoic acid, 2-ethyl-|Kyselina 2-ethylkapronova|Kyselina heptan-3-karboxylova|NSC 8881|UNII-01MU2J7VVZ|a-Ethylcaproic acid|a-Ethylhexanoic acid|202054-39-5|83829-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025293 https://doi.org/10.22427/NTP-DATA-DTXSID9025293
ERPathway2016 ERPathway2016_1315 2-Ethylhexanoic acid 149-57-5 DTXSID9025293 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)C(O)=O 2-Ethylhexanoic acid 149-57-5|2-Ethylhexanoic acid|(.+-.)-2-Ethylhexanoic acid|(+/-)-2-ETHYLHEXANOIC ACID|2-AETHYLCAPRONSAEURE|2-Butylbutanoic acid|2-Ethyl hexanoic acid|2-Ethyl-1-hexanoic acid|2-Ethyl-hexoic acid|2-Ethyl-Hexonic acid|2-Ethylcaproic acid|2-Ethylcapronic acid|2-Ethylhexansaeure|2-Ethylhexansaure|2-Ethylhexoic acid|3-Heptanecarboxylic acid|Acide 2-ethylhexanoique|acido 2-etilhexanoico|alpha-Ethylcaproic acid|alpha-Ethylhexanoic acid|BRN 1750468|Butylethylacetic acid|Caproic acid, a-ethyl-|EINECS 205-743-6|Ethyl hexanoic acid|ETHYL HEXANOIC ACID, 2-|Ethylhexanoic acid|Ethylhexoic acid|Hexanoic acid, 2-ethyl-|Kyselina 2-ethylkapronova|Kyselina heptan-3-karboxylova|NSC 8881|UNII-01MU2J7VVZ|a-Ethylcaproic acid|a-Ethylhexanoic acid|202054-39-5|83829-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025293 https://doi.org/10.22427/NTP-DATA-DTXSID9025293
ERPathway2016 ERPathway2016_1315 2-Ethylhexanoic acid 149-57-5 DTXSID9025293 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)C(O)=O 2-Ethylhexanoic acid 149-57-5|2-Ethylhexanoic acid|(.+-.)-2-Ethylhexanoic acid|(+/-)-2-ETHYLHEXANOIC ACID|2-AETHYLCAPRONSAEURE|2-Butylbutanoic acid|2-Ethyl hexanoic acid|2-Ethyl-1-hexanoic acid|2-Ethyl-hexoic acid|2-Ethyl-Hexonic acid|2-Ethylcaproic acid|2-Ethylcapronic acid|2-Ethylhexansaeure|2-Ethylhexansaure|2-Ethylhexoic acid|3-Heptanecarboxylic acid|Acide 2-ethylhexanoique|acido 2-etilhexanoico|alpha-Ethylcaproic acid|alpha-Ethylhexanoic acid|BRN 1750468|Butylethylacetic acid|Caproic acid, a-ethyl-|EINECS 205-743-6|Ethyl hexanoic acid|ETHYL HEXANOIC ACID, 2-|Ethylhexanoic acid|Ethylhexoic acid|Hexanoic acid, 2-ethyl-|Kyselina 2-ethylkapronova|Kyselina heptan-3-karboxylova|NSC 8881|UNII-01MU2J7VVZ|a-Ethylcaproic acid|a-Ethylhexanoic acid|202054-39-5|83829-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025293 https://doi.org/10.22427/NTP-DATA-DTXSID9025293
ERPathway2016 ERPathway2016_1315 2-Ethylhexanoic acid 149-57-5 DTXSID9025293 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)C(O)=O 2-Ethylhexanoic acid 149-57-5|2-Ethylhexanoic acid|(.+-.)-2-Ethylhexanoic acid|(+/-)-2-ETHYLHEXANOIC ACID|2-AETHYLCAPRONSAEURE|2-Butylbutanoic acid|2-Ethyl hexanoic acid|2-Ethyl-1-hexanoic acid|2-Ethyl-hexoic acid|2-Ethyl-Hexonic acid|2-Ethylcaproic acid|2-Ethylcapronic acid|2-Ethylhexansaeure|2-Ethylhexansaure|2-Ethylhexoic acid|3-Heptanecarboxylic acid|Acide 2-ethylhexanoique|acido 2-etilhexanoico|alpha-Ethylcaproic acid|alpha-Ethylhexanoic acid|BRN 1750468|Butylethylacetic acid|Caproic acid, a-ethyl-|EINECS 205-743-6|Ethyl hexanoic acid|ETHYL HEXANOIC ACID, 2-|Ethylhexanoic acid|Ethylhexoic acid|Hexanoic acid, 2-ethyl-|Kyselina 2-ethylkapronova|Kyselina heptan-3-karboxylova|NSC 8881|UNII-01MU2J7VVZ|a-Ethylcaproic acid|a-Ethylhexanoic acid|202054-39-5|83829-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025293 https://doi.org/10.22427/NTP-DATA-DTXSID9025293
ERPathway2016 ERPathway2016_1315 2-Ethylhexanoic acid 149-57-5 DTXSID9025293 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)C(O)=O 2-Ethylhexanoic acid 149-57-5|2-Ethylhexanoic acid|(.+-.)-2-Ethylhexanoic acid|(+/-)-2-ETHYLHEXANOIC ACID|2-AETHYLCAPRONSAEURE|2-Butylbutanoic acid|2-Ethyl hexanoic acid|2-Ethyl-1-hexanoic acid|2-Ethyl-hexoic acid|2-Ethyl-Hexonic acid|2-Ethylcaproic acid|2-Ethylcapronic acid|2-Ethylhexansaeure|2-Ethylhexansaure|2-Ethylhexoic acid|3-Heptanecarboxylic acid|Acide 2-ethylhexanoique|acido 2-etilhexanoico|alpha-Ethylcaproic acid|alpha-Ethylhexanoic acid|BRN 1750468|Butylethylacetic acid|Caproic acid, a-ethyl-|EINECS 205-743-6|Ethyl hexanoic acid|ETHYL HEXANOIC ACID, 2-|Ethylhexanoic acid|Ethylhexoic acid|Hexanoic acid, 2-ethyl-|Kyselina 2-ethylkapronova|Kyselina heptan-3-karboxylova|NSC 8881|UNII-01MU2J7VVZ|a-Ethylcaproic acid|a-Ethylhexanoic acid|202054-39-5|83829-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025293 https://doi.org/10.22427/NTP-DATA-DTXSID9025293
ARPathway2016 ARPathway2016_431 2-Ethylhexyl acetate 103-09-3 DTXSID8026694 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(C)=O 2-Ethylhexyl acetate 103-09-3|2-Ethylhexyl acetate|2-Ethyl-1-hexanol acetate|2-Ethyl-1-hexyl acetate|2-Ethylhexanyl acetate|2-Ethylhexyl ethanoate|2-Ethylhexylester kyseliny octove|4-02-00-00166|Acetic acid alpha-ethylhexyl ester|Acetic acid, 2-ethylhexyl ester|beta-Ethylhexyl acetate|BRN 1758321|EINECS 203-079-1|FEMA Number 2806|NSC 8897|UNII-2C7K8OA8SB|12261-98-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026694
ARPathway2016 ARPathway2016_431 2-Ethylhexyl acetate 103-09-3 DTXSID8026694 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(C)=O 2-Ethylhexyl acetate 103-09-3|2-Ethylhexyl acetate|2-Ethyl-1-hexanol acetate|2-Ethyl-1-hexyl acetate|2-Ethylhexanyl acetate|2-Ethylhexyl ethanoate|2-Ethylhexylester kyseliny octove|4-02-00-00166|Acetic acid alpha-ethylhexyl ester|Acetic acid, 2-ethylhexyl ester|beta-Ethylhexyl acetate|BRN 1758321|EINECS 203-079-1|FEMA Number 2806|NSC 8897|UNII-2C7K8OA8SB|12261-98-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026694
ARPathway2016 ARPathway2016_431 2-Ethylhexyl acetate 103-09-3 DTXSID8026694 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(C)=O 2-Ethylhexyl acetate 103-09-3|2-Ethylhexyl acetate|2-Ethyl-1-hexanol acetate|2-Ethyl-1-hexyl acetate|2-Ethylhexanyl acetate|2-Ethylhexyl ethanoate|2-Ethylhexylester kyseliny octove|4-02-00-00166|Acetic acid alpha-ethylhexyl ester|Acetic acid, 2-ethylhexyl ester|beta-Ethylhexyl acetate|BRN 1758321|EINECS 203-079-1|FEMA Number 2806|NSC 8897|UNII-2C7K8OA8SB|12261-98-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026694
ARPathway2016 ARPathway2016_431 2-Ethylhexyl acetate 103-09-3 DTXSID8026694 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(C)=O 2-Ethylhexyl acetate 103-09-3|2-Ethylhexyl acetate|2-Ethyl-1-hexanol acetate|2-Ethyl-1-hexyl acetate|2-Ethylhexanyl acetate|2-Ethylhexyl ethanoate|2-Ethylhexylester kyseliny octove|4-02-00-00166|Acetic acid alpha-ethylhexyl ester|Acetic acid, 2-ethylhexyl ester|beta-Ethylhexyl acetate|BRN 1758321|EINECS 203-079-1|FEMA Number 2806|NSC 8897|UNII-2C7K8OA8SB|12261-98-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026694
ERPathway2016 ERPathway2016_1068 2-Ethylhexyl acetate 103-09-3 DTXSID8026694 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(C)=O 2-Ethylhexyl acetate 103-09-3|2-Ethylhexyl acetate|2-Ethyl-1-hexanol acetate|2-Ethyl-1-hexyl acetate|2-Ethylhexanyl acetate|2-Ethylhexyl ethanoate|2-Ethylhexylester kyseliny octove|4-02-00-00166|Acetic acid alpha-ethylhexyl ester|Acetic acid, 2-ethylhexyl ester|beta-Ethylhexyl acetate|BRN 1758321|EINECS 203-079-1|FEMA Number 2806|NSC 8897|UNII-2C7K8OA8SB|12261-98-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026694
ERPathway2016 ERPathway2016_1068 2-Ethylhexyl acetate 103-09-3 DTXSID8026694 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(C)=O 2-Ethylhexyl acetate 103-09-3|2-Ethylhexyl acetate|2-Ethyl-1-hexanol acetate|2-Ethyl-1-hexyl acetate|2-Ethylhexanyl acetate|2-Ethylhexyl ethanoate|2-Ethylhexylester kyseliny octove|4-02-00-00166|Acetic acid alpha-ethylhexyl ester|Acetic acid, 2-ethylhexyl ester|beta-Ethylhexyl acetate|BRN 1758321|EINECS 203-079-1|FEMA Number 2806|NSC 8897|UNII-2C7K8OA8SB|12261-98-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026694
ERPathway2016 ERPathway2016_1068 2-Ethylhexyl acetate 103-09-3 DTXSID8026694 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(C)=O 2-Ethylhexyl acetate 103-09-3|2-Ethylhexyl acetate|2-Ethyl-1-hexanol acetate|2-Ethyl-1-hexyl acetate|2-Ethylhexanyl acetate|2-Ethylhexyl ethanoate|2-Ethylhexylester kyseliny octove|4-02-00-00166|Acetic acid alpha-ethylhexyl ester|Acetic acid, 2-ethylhexyl ester|beta-Ethylhexyl acetate|BRN 1758321|EINECS 203-079-1|FEMA Number 2806|NSC 8897|UNII-2C7K8OA8SB|12261-98-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026694
ERPathway2016 ERPathway2016_1068 2-Ethylhexyl acetate 103-09-3 DTXSID8026694 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(C)=O 2-Ethylhexyl acetate 103-09-3|2-Ethylhexyl acetate|2-Ethyl-1-hexanol acetate|2-Ethyl-1-hexyl acetate|2-Ethylhexanyl acetate|2-Ethylhexyl ethanoate|2-Ethylhexylester kyseliny octove|4-02-00-00166|Acetic acid alpha-ethylhexyl ester|Acetic acid, 2-ethylhexyl ester|beta-Ethylhexyl acetate|BRN 1758321|EINECS 203-079-1|FEMA Number 2806|NSC 8897|UNII-2C7K8OA8SB|12261-98-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026694
ARPathway2016 ARPathway2016_433 2-Ethylhexyl acrylate 103-11-7 DTXSID9025297 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C=C 2-Ethylhexyl acrylate 103-11-7|2-Ethylhexyl acrylate|1-Hexanol, 2-ethyl-, acrylate|2-Ethyl-1-hexyl acrylate|2-Ethylhexyl 2-propenoate|2-ethylhexyl acrylate|2-Ethylhexylacrylat|2-Ethylhexylester kyseliny akrylove|2-Propenoic acid 2-ethylhexyl ester|2-Propenoic acid, 2-ethylhexyl ester|203-080-7|2EHA|Acido 2-propenoico, 2-etil hexil ester|acrilato de 2-etilhexilo|Acrylate de 2-ethylhexyle|ACRYLATE, 2-ETHYLHEXYL|Acrylic acid, 2-ethylhexyl ester|ACRYLSAEURE-(2-AETHYLHEXYL)-ESTER|BRN 1765828|EC No.: 203-080-7|EHA|EINECS 203-080-7|Norsocryl 2-EHA|NSC 4803|Octyl acrylate|PROP-2-ENOATE, 2-ETHYLHEXYL|UNII-HR49R9S6XG|126830-02-2|1329996-89-5|1453489-97-8|45016-65-7|78733-32-1|84948-57-2|93460-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025297 https://doi.org/10.22427/NTP-DATA-DTXSID9025297
ARPathway2016 ARPathway2016_433 2-Ethylhexyl acrylate 103-11-7 DTXSID9025297 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)C=C 2-Ethylhexyl acrylate 103-11-7|2-Ethylhexyl acrylate|1-Hexanol, 2-ethyl-, acrylate|2-Ethyl-1-hexyl acrylate|2-Ethylhexyl 2-propenoate|2-ethylhexyl acrylate|2-Ethylhexylacrylat|2-Ethylhexylester kyseliny akrylove|2-Propenoic acid 2-ethylhexyl ester|2-Propenoic acid, 2-ethylhexyl ester|203-080-7|2EHA|Acido 2-propenoico, 2-etil hexil ester|acrilato de 2-etilhexilo|Acrylate de 2-ethylhexyle|ACRYLATE, 2-ETHYLHEXYL|Acrylic acid, 2-ethylhexyl ester|ACRYLSAEURE-(2-AETHYLHEXYL)-ESTER|BRN 1765828|EC No.: 203-080-7|EHA|EINECS 203-080-7|Norsocryl 2-EHA|NSC 4803|Octyl acrylate|PROP-2-ENOATE, 2-ETHYLHEXYL|UNII-HR49R9S6XG|126830-02-2|1329996-89-5|1453489-97-8|45016-65-7|78733-32-1|84948-57-2|93460-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025297 https://doi.org/10.22427/NTP-DATA-DTXSID9025297
ARPathway2016 ARPathway2016_433 2-Ethylhexyl acrylate 103-11-7 DTXSID9025297 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)C=C 2-Ethylhexyl acrylate 103-11-7|2-Ethylhexyl acrylate|1-Hexanol, 2-ethyl-, acrylate|2-Ethyl-1-hexyl acrylate|2-Ethylhexyl 2-propenoate|2-ethylhexyl acrylate|2-Ethylhexylacrylat|2-Ethylhexylester kyseliny akrylove|2-Propenoic acid 2-ethylhexyl ester|2-Propenoic acid, 2-ethylhexyl ester|203-080-7|2EHA|Acido 2-propenoico, 2-etil hexil ester|acrilato de 2-etilhexilo|Acrylate de 2-ethylhexyle|ACRYLATE, 2-ETHYLHEXYL|Acrylic acid, 2-ethylhexyl ester|ACRYLSAEURE-(2-AETHYLHEXYL)-ESTER|BRN 1765828|EC No.: 203-080-7|EHA|EINECS 203-080-7|Norsocryl 2-EHA|NSC 4803|Octyl acrylate|PROP-2-ENOATE, 2-ETHYLHEXYL|UNII-HR49R9S6XG|126830-02-2|1329996-89-5|1453489-97-8|45016-65-7|78733-32-1|84948-57-2|93460-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025297 https://doi.org/10.22427/NTP-DATA-DTXSID9025297
ARPathway2016 ARPathway2016_433 2-Ethylhexyl acrylate 103-11-7 DTXSID9025297 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C=C 2-Ethylhexyl acrylate 103-11-7|2-Ethylhexyl acrylate|1-Hexanol, 2-ethyl-, acrylate|2-Ethyl-1-hexyl acrylate|2-Ethylhexyl 2-propenoate|2-ethylhexyl acrylate|2-Ethylhexylacrylat|2-Ethylhexylester kyseliny akrylove|2-Propenoic acid 2-ethylhexyl ester|2-Propenoic acid, 2-ethylhexyl ester|203-080-7|2EHA|Acido 2-propenoico, 2-etil hexil ester|acrilato de 2-etilhexilo|Acrylate de 2-ethylhexyle|ACRYLATE, 2-ETHYLHEXYL|Acrylic acid, 2-ethylhexyl ester|ACRYLSAEURE-(2-AETHYLHEXYL)-ESTER|BRN 1765828|EC No.: 203-080-7|EHA|EINECS 203-080-7|Norsocryl 2-EHA|NSC 4803|Octyl acrylate|PROP-2-ENOATE, 2-ETHYLHEXYL|UNII-HR49R9S6XG|126830-02-2|1329996-89-5|1453489-97-8|45016-65-7|78733-32-1|84948-57-2|93460-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025297 https://doi.org/10.22427/NTP-DATA-DTXSID9025297
ERPathway2016 ERPathway2016_705 2-Ethylhexyl acrylate 103-11-7 DTXSID9025297 A10 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)C=C 2-Ethylhexyl acrylate 103-11-7|2-Ethylhexyl acrylate|1-Hexanol, 2-ethyl-, acrylate|2-Ethyl-1-hexyl acrylate|2-Ethylhexyl 2-propenoate|2-ethylhexyl acrylate|2-Ethylhexylacrylat|2-Ethylhexylester kyseliny akrylove|2-Propenoic acid 2-ethylhexyl ester|2-Propenoic acid, 2-ethylhexyl ester|203-080-7|2EHA|Acido 2-propenoico, 2-etil hexil ester|acrilato de 2-etilhexilo|Acrylate de 2-ethylhexyle|ACRYLATE, 2-ETHYLHEXYL|Acrylic acid, 2-ethylhexyl ester|ACRYLSAEURE-(2-AETHYLHEXYL)-ESTER|BRN 1765828|EC No.: 203-080-7|EHA|EINECS 203-080-7|Norsocryl 2-EHA|NSC 4803|Octyl acrylate|PROP-2-ENOATE, 2-ETHYLHEXYL|UNII-HR49R9S6XG|126830-02-2|1329996-89-5|1453489-97-8|45016-65-7|78733-32-1|84948-57-2|93460-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025297 https://doi.org/10.22427/NTP-DATA-DTXSID9025297
ERPathway2016 ERPathway2016_705 2-Ethylhexyl acrylate 103-11-7 DTXSID9025297 A10 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C=C 2-Ethylhexyl acrylate 103-11-7|2-Ethylhexyl acrylate|1-Hexanol, 2-ethyl-, acrylate|2-Ethyl-1-hexyl acrylate|2-Ethylhexyl 2-propenoate|2-ethylhexyl acrylate|2-Ethylhexylacrylat|2-Ethylhexylester kyseliny akrylove|2-Propenoic acid 2-ethylhexyl ester|2-Propenoic acid, 2-ethylhexyl ester|203-080-7|2EHA|Acido 2-propenoico, 2-etil hexil ester|acrilato de 2-etilhexilo|Acrylate de 2-ethylhexyle|ACRYLATE, 2-ETHYLHEXYL|Acrylic acid, 2-ethylhexyl ester|ACRYLSAEURE-(2-AETHYLHEXYL)-ESTER|BRN 1765828|EC No.: 203-080-7|EHA|EINECS 203-080-7|Norsocryl 2-EHA|NSC 4803|Octyl acrylate|PROP-2-ENOATE, 2-ETHYLHEXYL|UNII-HR49R9S6XG|126830-02-2|1329996-89-5|1453489-97-8|45016-65-7|78733-32-1|84948-57-2|93460-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025297 https://doi.org/10.22427/NTP-DATA-DTXSID9025297
ERPathway2016 ERPathway2016_705 2-Ethylhexyl acrylate 103-11-7 DTXSID9025297 A10 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C=C 2-Ethylhexyl acrylate 103-11-7|2-Ethylhexyl acrylate|1-Hexanol, 2-ethyl-, acrylate|2-Ethyl-1-hexyl acrylate|2-Ethylhexyl 2-propenoate|2-ethylhexyl acrylate|2-Ethylhexylacrylat|2-Ethylhexylester kyseliny akrylove|2-Propenoic acid 2-ethylhexyl ester|2-Propenoic acid, 2-ethylhexyl ester|203-080-7|2EHA|Acido 2-propenoico, 2-etil hexil ester|acrilato de 2-etilhexilo|Acrylate de 2-ethylhexyle|ACRYLATE, 2-ETHYLHEXYL|Acrylic acid, 2-ethylhexyl ester|ACRYLSAEURE-(2-AETHYLHEXYL)-ESTER|BRN 1765828|EC No.: 203-080-7|EHA|EINECS 203-080-7|Norsocryl 2-EHA|NSC 4803|Octyl acrylate|PROP-2-ENOATE, 2-ETHYLHEXYL|UNII-HR49R9S6XG|126830-02-2|1329996-89-5|1453489-97-8|45016-65-7|78733-32-1|84948-57-2|93460-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025297 https://doi.org/10.22427/NTP-DATA-DTXSID9025297
ERPathway2016 ERPathway2016_705 2-Ethylhexyl acrylate 103-11-7 DTXSID9025297 A10 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)C=C 2-Ethylhexyl acrylate 103-11-7|2-Ethylhexyl acrylate|1-Hexanol, 2-ethyl-, acrylate|2-Ethyl-1-hexyl acrylate|2-Ethylhexyl 2-propenoate|2-ethylhexyl acrylate|2-Ethylhexylacrylat|2-Ethylhexylester kyseliny akrylove|2-Propenoic acid 2-ethylhexyl ester|2-Propenoic acid, 2-ethylhexyl ester|203-080-7|2EHA|Acido 2-propenoico, 2-etil hexil ester|acrilato de 2-etilhexilo|Acrylate de 2-ethylhexyle|ACRYLATE, 2-ETHYLHEXYL|Acrylic acid, 2-ethylhexyl ester|ACRYLSAEURE-(2-AETHYLHEXYL)-ESTER|BRN 1765828|EC No.: 203-080-7|EHA|EINECS 203-080-7|Norsocryl 2-EHA|NSC 4803|Octyl acrylate|PROP-2-ENOATE, 2-ETHYLHEXYL|UNII-HR49R9S6XG|126830-02-2|1329996-89-5|1453489-97-8|45016-65-7|78733-32-1|84948-57-2|93460-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025297 https://doi.org/10.22427/NTP-DATA-DTXSID9025297
ARPathway2016 ARPathway2016_733 2-Ethylhexyl diphenyl phosphate 1241-94-7 DTXSID1025300 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 2-Ethylhexyl diphenyl phosphate 1241-94-7|2-Ethylhexyl diphenyl phosphate|(2-Ethylhexyl)-difenylfosfat|1-Hexanol, 2-ethyl-, ester with diphenyl phosphate|2-Ethylhexyl diphenyl phosphate|2-Ethylhexyl diphenylphosphate|4-06-00-00718|BRN 2568983|Diphenyl 2-ethylhexyl phosphate|EDHP|EHDPP|EINECS 214-987-2|Octicizer|Phosphoric acid, 2-ethylhexyl diphenyl ester|Santicizer 141|UNII-4F53Z6NE1Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025300 https://doi.org/10.22427/NTP-DATA-DTXSID1025300
ARPathway2016 ARPathway2016_733 2-Ethylhexyl diphenyl phosphate 1241-94-7 DTXSID1025300 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 2-Ethylhexyl diphenyl phosphate 1241-94-7|2-Ethylhexyl diphenyl phosphate|(2-Ethylhexyl)-difenylfosfat|1-Hexanol, 2-ethyl-, ester with diphenyl phosphate|2-Ethylhexyl diphenyl phosphate|2-Ethylhexyl diphenylphosphate|4-06-00-00718|BRN 2568983|Diphenyl 2-ethylhexyl phosphate|EDHP|EHDPP|EINECS 214-987-2|Octicizer|Phosphoric acid, 2-ethylhexyl diphenyl ester|Santicizer 141|UNII-4F53Z6NE1Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025300 https://doi.org/10.22427/NTP-DATA-DTXSID1025300
ARPathway2016 ARPathway2016_733 2-Ethylhexyl diphenyl phosphate 1241-94-7 DTXSID1025300 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 2-Ethylhexyl diphenyl phosphate 1241-94-7|2-Ethylhexyl diphenyl phosphate|(2-Ethylhexyl)-difenylfosfat|1-Hexanol, 2-ethyl-, ester with diphenyl phosphate|2-Ethylhexyl diphenyl phosphate|2-Ethylhexyl diphenylphosphate|4-06-00-00718|BRN 2568983|Diphenyl 2-ethylhexyl phosphate|EDHP|EHDPP|EINECS 214-987-2|Octicizer|Phosphoric acid, 2-ethylhexyl diphenyl ester|Santicizer 141|UNII-4F53Z6NE1Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025300 https://doi.org/10.22427/NTP-DATA-DTXSID1025300
ARPathway2016 ARPathway2016_733 2-Ethylhexyl diphenyl phosphate 1241-94-7 DTXSID1025300 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 2-Ethylhexyl diphenyl phosphate 1241-94-7|2-Ethylhexyl diphenyl phosphate|(2-Ethylhexyl)-difenylfosfat|1-Hexanol, 2-ethyl-, ester with diphenyl phosphate|2-Ethylhexyl diphenyl phosphate|2-Ethylhexyl diphenylphosphate|4-06-00-00718|BRN 2568983|Diphenyl 2-ethylhexyl phosphate|EDHP|EHDPP|EINECS 214-987-2|Octicizer|Phosphoric acid, 2-ethylhexyl diphenyl ester|Santicizer 141|UNII-4F53Z6NE1Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025300 https://doi.org/10.22427/NTP-DATA-DTXSID1025300
ERPathway2016 ERPathway2016_383 2-Ethylhexyl diphenyl phosphate 1241-94-7 DTXSID1025300 R6 ER Pathway Model, Antagonist AC50 7.18351591820796 uM CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 2-Ethylhexyl diphenyl phosphate 1241-94-7|2-Ethylhexyl diphenyl phosphate|(2-Ethylhexyl)-difenylfosfat|1-Hexanol, 2-ethyl-, ester with diphenyl phosphate|2-Ethylhexyl diphenyl phosphate|2-Ethylhexyl diphenylphosphate|4-06-00-00718|BRN 2568983|Diphenyl 2-ethylhexyl phosphate|EDHP|EHDPP|EINECS 214-987-2|Octicizer|Phosphoric acid, 2-ethylhexyl diphenyl ester|Santicizer 141|UNII-4F53Z6NE1Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025300 https://doi.org/10.22427/NTP-DATA-DTXSID1025300
ERPathway2016 ERPathway2016_383 2-Ethylhexyl diphenyl phosphate 1241-94-7 DTXSID1025300 R6 ER Pathway Model, Antagonist ACC 4.70174783695064 uM CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 2-Ethylhexyl diphenyl phosphate 1241-94-7|2-Ethylhexyl diphenyl phosphate|(2-Ethylhexyl)-difenylfosfat|1-Hexanol, 2-ethyl-, ester with diphenyl phosphate|2-Ethylhexyl diphenyl phosphate|2-Ethylhexyl diphenylphosphate|4-06-00-00718|BRN 2568983|Diphenyl 2-ethylhexyl phosphate|EDHP|EHDPP|EINECS 214-987-2|Octicizer|Phosphoric acid, 2-ethylhexyl diphenyl ester|Santicizer 141|UNII-4F53Z6NE1Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025300 https://doi.org/10.22427/NTP-DATA-DTXSID1025300
ERPathway2016 ERPathway2016_383 2-Ethylhexyl diphenyl phosphate 1241-94-7 DTXSID1025300 R6 ER Pathway Model, Agonist Model Score 0.0117 Unitless CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 2-Ethylhexyl diphenyl phosphate 1241-94-7|2-Ethylhexyl diphenyl phosphate|(2-Ethylhexyl)-difenylfosfat|1-Hexanol, 2-ethyl-, ester with diphenyl phosphate|2-Ethylhexyl diphenyl phosphate|2-Ethylhexyl diphenylphosphate|4-06-00-00718|BRN 2568983|Diphenyl 2-ethylhexyl phosphate|EDHP|EHDPP|EINECS 214-987-2|Octicizer|Phosphoric acid, 2-ethylhexyl diphenyl ester|Santicizer 141|UNII-4F53Z6NE1Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025300 https://doi.org/10.22427/NTP-DATA-DTXSID1025300
ERPathway2016 ERPathway2016_383 2-Ethylhexyl diphenyl phosphate 1241-94-7 DTXSID1025300 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 2-Ethylhexyl diphenyl phosphate 1241-94-7|2-Ethylhexyl diphenyl phosphate|(2-Ethylhexyl)-difenylfosfat|1-Hexanol, 2-ethyl-, ester with diphenyl phosphate|2-Ethylhexyl diphenyl phosphate|2-Ethylhexyl diphenylphosphate|4-06-00-00718|BRN 2568983|Diphenyl 2-ethylhexyl phosphate|EDHP|EHDPP|EINECS 214-987-2|Octicizer|Phosphoric acid, 2-ethylhexyl diphenyl ester|Santicizer 141|UNII-4F53Z6NE1Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025300 https://doi.org/10.22427/NTP-DATA-DTXSID1025300
ERPathway2016 ERPathway2016_383 2-Ethylhexyl diphenyl phosphate 1241-94-7 DTXSID1025300 R6 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 2-Ethylhexyl diphenyl phosphate 1241-94-7|2-Ethylhexyl diphenyl phosphate|(2-Ethylhexyl)-difenylfosfat|1-Hexanol, 2-ethyl-, ester with diphenyl phosphate|2-Ethylhexyl diphenyl phosphate|2-Ethylhexyl diphenylphosphate|4-06-00-00718|BRN 2568983|Diphenyl 2-ethylhexyl phosphate|EDHP|EHDPP|EINECS 214-987-2|Octicizer|Phosphoric acid, 2-ethylhexyl diphenyl ester|Santicizer 141|UNII-4F53Z6NE1Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025300 https://doi.org/10.22427/NTP-DATA-DTXSID1025300
ERPathway2016 ERPathway2016_383 2-Ethylhexyl diphenyl phosphate 1241-94-7 DTXSID1025300 R6 ER Pathway Model, Antagonist Call Active Unitless CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 2-Ethylhexyl diphenyl phosphate 1241-94-7|2-Ethylhexyl diphenyl phosphate|(2-Ethylhexyl)-difenylfosfat|1-Hexanol, 2-ethyl-, ester with diphenyl phosphate|2-Ethylhexyl diphenyl phosphate|2-Ethylhexyl diphenylphosphate|4-06-00-00718|BRN 2568983|Diphenyl 2-ethylhexyl phosphate|EDHP|EHDPP|EINECS 214-987-2|Octicizer|Phosphoric acid, 2-ethylhexyl diphenyl ester|Santicizer 141|UNII-4F53Z6NE1Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025300 https://doi.org/10.22427/NTP-DATA-DTXSID1025300
ARPathway2016 ARPathway2016_1006 2-Ethylhexyl octadecanoate 22047-49-0 DTXSID9047178 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC 2-Ethylhexyl octadecanoate 22047-49-0|2-Ethylhexyl octadecanoate|EINECS 244-754-0|Ethylhexyl stearate|Isooctyl stearate|Octadecanoic acid, 2-ethylhexyl ester|UNII-EG3PA2K3K5|Wickenol 156|146960-40-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047178
ARPathway2016 ARPathway2016_1006 2-Ethylhexyl octadecanoate 22047-49-0 DTXSID9047178 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC 2-Ethylhexyl octadecanoate 22047-49-0|2-Ethylhexyl octadecanoate|EINECS 244-754-0|Ethylhexyl stearate|Isooctyl stearate|Octadecanoic acid, 2-ethylhexyl ester|UNII-EG3PA2K3K5|Wickenol 156|146960-40-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047178
ARPathway2016 ARPathway2016_1006 2-Ethylhexyl octadecanoate 22047-49-0 DTXSID9047178 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC 2-Ethylhexyl octadecanoate 22047-49-0|2-Ethylhexyl octadecanoate|EINECS 244-754-0|Ethylhexyl stearate|Isooctyl stearate|Octadecanoic acid, 2-ethylhexyl ester|UNII-EG3PA2K3K5|Wickenol 156|146960-40-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047178
ARPathway2016 ARPathway2016_1006 2-Ethylhexyl octadecanoate 22047-49-0 DTXSID9047178 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC 2-Ethylhexyl octadecanoate 22047-49-0|2-Ethylhexyl octadecanoate|EINECS 244-754-0|Ethylhexyl stearate|Isooctyl stearate|Octadecanoic acid, 2-ethylhexyl ester|UNII-EG3PA2K3K5|Wickenol 156|146960-40-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047178
ERPathway2016 ERPathway2016_921 2-Ethylhexyl octadecanoate 22047-49-0 DTXSID9047178 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC 2-Ethylhexyl octadecanoate 22047-49-0|2-Ethylhexyl octadecanoate|EINECS 244-754-0|Ethylhexyl stearate|Isooctyl stearate|Octadecanoic acid, 2-ethylhexyl ester|UNII-EG3PA2K3K5|Wickenol 156|146960-40-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047178
ERPathway2016 ERPathway2016_921 2-Ethylhexyl octadecanoate 22047-49-0 DTXSID9047178 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC 2-Ethylhexyl octadecanoate 22047-49-0|2-Ethylhexyl octadecanoate|EINECS 244-754-0|Ethylhexyl stearate|Isooctyl stearate|Octadecanoic acid, 2-ethylhexyl ester|UNII-EG3PA2K3K5|Wickenol 156|146960-40-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047178
ERPathway2016 ERPathway2016_921 2-Ethylhexyl octadecanoate 22047-49-0 DTXSID9047178 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC 2-Ethylhexyl octadecanoate 22047-49-0|2-Ethylhexyl octadecanoate|EINECS 244-754-0|Ethylhexyl stearate|Isooctyl stearate|Octadecanoic acid, 2-ethylhexyl ester|UNII-EG3PA2K3K5|Wickenol 156|146960-40-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047178
ERPathway2016 ERPathway2016_921 2-Ethylhexyl octadecanoate 22047-49-0 DTXSID9047178 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC 2-Ethylhexyl octadecanoate 22047-49-0|2-Ethylhexyl octadecanoate|EINECS 244-754-0|Ethylhexyl stearate|Isooctyl stearate|Octadecanoic acid, 2-ethylhexyl ester|UNII-EG3PA2K3K5|Wickenol 156|146960-40-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047178
ARPathway2016 ARPathway2016_367 2-Ethylhexyl p-hydroxybenzoate 5153-25-3 DTXSID4022525 True antagonist shift (No hit/Hit) 3.0 Agonist AR Pathway Model, Antagonist ACC 9.49214007785401 uM CCCCC(CC)COC(=O)C1=CC=C(O)C=C1 2-Ethylhexyl p-hydroxybenzoate 5153-25-3|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl-4-hydroxybenzoate|2-Ethylhexylparaben|2-Methylhexyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, 2-ethylhexyl ester|EINECS 225-925-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022525
ARPathway2016 ARPathway2016_367 2-Ethylhexyl p-hydroxybenzoate 5153-25-3 DTXSID4022525 True antagonist shift (No hit/Hit) 3.0 Agonist AR Pathway Model, Antagonist AC50 14.7685641628238 uM CCCCC(CC)COC(=O)C1=CC=C(O)C=C1 2-Ethylhexyl p-hydroxybenzoate 5153-25-3|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl-4-hydroxybenzoate|2-Ethylhexylparaben|2-Methylhexyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, 2-ethylhexyl ester|EINECS 225-925-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022525
ARPathway2016 ARPathway2016_367 2-Ethylhexyl p-hydroxybenzoate 5153-25-3 DTXSID4022525 True antagonist shift (No hit/Hit) 3.0 Agonist AR Pathway Model, Antagonist Model Score 0.0252 Unitless CCCCC(CC)COC(=O)C1=CC=C(O)C=C1 2-Ethylhexyl p-hydroxybenzoate 5153-25-3|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl-4-hydroxybenzoate|2-Ethylhexylparaben|2-Methylhexyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, 2-ethylhexyl ester|EINECS 225-925-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022525
ARPathway2016 ARPathway2016_367 2-Ethylhexyl p-hydroxybenzoate 5153-25-3 DTXSID4022525 True antagonist shift (No hit/Hit) 3.0 Agonist AR Pathway Model, Agonist Model Score 0.148 Unitless CCCCC(CC)COC(=O)C1=CC=C(O)C=C1 2-Ethylhexyl p-hydroxybenzoate 5153-25-3|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl-4-hydroxybenzoate|2-Ethylhexylparaben|2-Methylhexyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, 2-ethylhexyl ester|EINECS 225-925-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022525
ARPathway2016 ARPathway2016_367 2-Ethylhexyl p-hydroxybenzoate 5153-25-3 DTXSID4022525 True antagonist shift (No hit/Hit) 3.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=CC=C(O)C=C1 2-Ethylhexyl p-hydroxybenzoate 5153-25-3|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl-4-hydroxybenzoate|2-Ethylhexylparaben|2-Methylhexyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, 2-ethylhexyl ester|EINECS 225-925-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022525
ARPathway2016 ARPathway2016_367 2-Ethylhexyl p-hydroxybenzoate 5153-25-3 DTXSID4022525 True antagonist shift (No hit/Hit) 3.0 Agonist AR Pathway Model, Antagonist Call Active Unitless CCCCC(CC)COC(=O)C1=CC=C(O)C=C1 2-Ethylhexyl p-hydroxybenzoate 5153-25-3|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl-4-hydroxybenzoate|2-Ethylhexylparaben|2-Methylhexyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, 2-ethylhexyl ester|EINECS 225-925-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022525
ERPathway2016 ERPathway2016_175 2-Ethylhexyl p-hydroxybenzoate 5153-25-3 DTXSID4022525 Agonist ER Pathway Model, Antagonist AC50 2.33298793824479 uM CCCCC(CC)COC(=O)C1=CC=C(O)C=C1 2-Ethylhexyl p-hydroxybenzoate 5153-25-3|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl-4-hydroxybenzoate|2-Ethylhexylparaben|2-Methylhexyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, 2-ethylhexyl ester|EINECS 225-925-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022525
ERPathway2016 ERPathway2016_175 2-Ethylhexyl p-hydroxybenzoate 5153-25-3 DTXSID4022525 Agonist ER Pathway Model, Antagonist ACC 1.02440138545082 uM CCCCC(CC)COC(=O)C1=CC=C(O)C=C1 2-Ethylhexyl p-hydroxybenzoate 5153-25-3|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl-4-hydroxybenzoate|2-Ethylhexylparaben|2-Methylhexyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, 2-ethylhexyl ester|EINECS 225-925-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022525
ERPathway2016 ERPathway2016_175 2-Ethylhexyl p-hydroxybenzoate 5153-25-3 DTXSID4022525 Agonist ER Pathway Model, Agonist Model Score 0.37 Unitless CCCCC(CC)COC(=O)C1=CC=C(O)C=C1 2-Ethylhexyl p-hydroxybenzoate 5153-25-3|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl-4-hydroxybenzoate|2-Ethylhexylparaben|2-Methylhexyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, 2-ethylhexyl ester|EINECS 225-925-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022525
ERPathway2016 ERPathway2016_175 2-Ethylhexyl p-hydroxybenzoate 5153-25-3 DTXSID4022525 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=CC=C(O)C=C1 2-Ethylhexyl p-hydroxybenzoate 5153-25-3|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl-4-hydroxybenzoate|2-Ethylhexylparaben|2-Methylhexyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, 2-ethylhexyl ester|EINECS 225-925-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022525
ERPathway2016 ERPathway2016_175 2-Ethylhexyl p-hydroxybenzoate 5153-25-3 DTXSID4022525 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=CC=C(O)C=C1 2-Ethylhexyl p-hydroxybenzoate 5153-25-3|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl-4-hydroxybenzoate|2-Ethylhexylparaben|2-Methylhexyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, 2-ethylhexyl ester|EINECS 225-925-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022525
ERPathway2016 ERPathway2016_175 2-Ethylhexyl p-hydroxybenzoate 5153-25-3 DTXSID4022525 Agonist ER Pathway Model, Antagonist Call Active Unitless CCCCC(CC)COC(=O)C1=CC=C(O)C=C1 2-Ethylhexyl p-hydroxybenzoate 5153-25-3|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl p-hydroxybenzoate|2-Ethylhexyl-4-hydroxybenzoate|2-Ethylhexylparaben|2-Methylhexyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, 2-ethylhexyl ester|EINECS 225-925-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022525
ARPathway2016 ARPathway2016_1541 2-Ethylhexyl thioglycolate 7659-86-1 DTXSID4027656 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)CS 2-Ethylhexyl thioglycolate 7659-86-1|2-Ethylhexyl thioglycolate|2-Ethylhexyl 2-mercaptoacetate|2-Ethylhexyl sulfanylacetate|2-Ethylhexyl thioglycolate|Acetic acid, 2-mercapto-, 2-ethylhexyl ester|EINECS 231-626-4|Mercaptoacetic acid 2-ethylhexyl ester|Thioglycolic acid 2-ethylhexyl ester|Thioglykolsaeure-2-aethylhexyl ester|32885-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027656
ARPathway2016 ARPathway2016_1541 2-Ethylhexyl thioglycolate 7659-86-1 DTXSID4027656 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)CS 2-Ethylhexyl thioglycolate 7659-86-1|2-Ethylhexyl thioglycolate|2-Ethylhexyl 2-mercaptoacetate|2-Ethylhexyl sulfanylacetate|2-Ethylhexyl thioglycolate|Acetic acid, 2-mercapto-, 2-ethylhexyl ester|EINECS 231-626-4|Mercaptoacetic acid 2-ethylhexyl ester|Thioglycolic acid 2-ethylhexyl ester|Thioglykolsaeure-2-aethylhexyl ester|32885-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027656
ARPathway2016 ARPathway2016_1541 2-Ethylhexyl thioglycolate 7659-86-1 DTXSID4027656 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)CS 2-Ethylhexyl thioglycolate 7659-86-1|2-Ethylhexyl thioglycolate|2-Ethylhexyl 2-mercaptoacetate|2-Ethylhexyl sulfanylacetate|2-Ethylhexyl thioglycolate|Acetic acid, 2-mercapto-, 2-ethylhexyl ester|EINECS 231-626-4|Mercaptoacetic acid 2-ethylhexyl ester|Thioglycolic acid 2-ethylhexyl ester|Thioglykolsaeure-2-aethylhexyl ester|32885-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027656
ARPathway2016 ARPathway2016_1541 2-Ethylhexyl thioglycolate 7659-86-1 DTXSID4027656 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)CS 2-Ethylhexyl thioglycolate 7659-86-1|2-Ethylhexyl thioglycolate|2-Ethylhexyl 2-mercaptoacetate|2-Ethylhexyl sulfanylacetate|2-Ethylhexyl thioglycolate|Acetic acid, 2-mercapto-, 2-ethylhexyl ester|EINECS 231-626-4|Mercaptoacetic acid 2-ethylhexyl ester|Thioglycolic acid 2-ethylhexyl ester|Thioglykolsaeure-2-aethylhexyl ester|32885-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027656
ERPathway2016 ERPathway2016_1647 2-Ethylhexyl thioglycolate 7659-86-1 DTXSID4027656 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)CS 2-Ethylhexyl thioglycolate 7659-86-1|2-Ethylhexyl thioglycolate|2-Ethylhexyl 2-mercaptoacetate|2-Ethylhexyl sulfanylacetate|2-Ethylhexyl thioglycolate|Acetic acid, 2-mercapto-, 2-ethylhexyl ester|EINECS 231-626-4|Mercaptoacetic acid 2-ethylhexyl ester|Thioglycolic acid 2-ethylhexyl ester|Thioglykolsaeure-2-aethylhexyl ester|32885-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027656
ERPathway2016 ERPathway2016_1647 2-Ethylhexyl thioglycolate 7659-86-1 DTXSID4027656 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)CS 2-Ethylhexyl thioglycolate 7659-86-1|2-Ethylhexyl thioglycolate|2-Ethylhexyl 2-mercaptoacetate|2-Ethylhexyl sulfanylacetate|2-Ethylhexyl thioglycolate|Acetic acid, 2-mercapto-, 2-ethylhexyl ester|EINECS 231-626-4|Mercaptoacetic acid 2-ethylhexyl ester|Thioglycolic acid 2-ethylhexyl ester|Thioglykolsaeure-2-aethylhexyl ester|32885-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027656
ERPathway2016 ERPathway2016_1647 2-Ethylhexyl thioglycolate 7659-86-1 DTXSID4027656 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)CS 2-Ethylhexyl thioglycolate 7659-86-1|2-Ethylhexyl thioglycolate|2-Ethylhexyl 2-mercaptoacetate|2-Ethylhexyl sulfanylacetate|2-Ethylhexyl thioglycolate|Acetic acid, 2-mercapto-, 2-ethylhexyl ester|EINECS 231-626-4|Mercaptoacetic acid 2-ethylhexyl ester|Thioglycolic acid 2-ethylhexyl ester|Thioglykolsaeure-2-aethylhexyl ester|32885-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027656
ERPathway2016 ERPathway2016_1647 2-Ethylhexyl thioglycolate 7659-86-1 DTXSID4027656 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)CS 2-Ethylhexyl thioglycolate 7659-86-1|2-Ethylhexyl thioglycolate|2-Ethylhexyl 2-mercaptoacetate|2-Ethylhexyl sulfanylacetate|2-Ethylhexyl thioglycolate|Acetic acid, 2-mercapto-, 2-ethylhexyl ester|EINECS 231-626-4|Mercaptoacetic acid 2-ethylhexyl ester|Thioglycolic acid 2-ethylhexyl ester|Thioglykolsaeure-2-aethylhexyl ester|32885-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027656
ARPathway2016 ARPathway2016_1634 2-Ethylhexyl trans-4-methoxycinnamate 83834-59-7 DTXSID9047205 1.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C=CC1=CC=C(OC)C=C1 2-Ethylhexyl trans-4-methoxycinnamate 83834-59-7|2-Ethylhexyl trans-4-methoxycinnamate https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047205
ARPathway2016 ARPathway2016_1634 2-Ethylhexyl trans-4-methoxycinnamate 83834-59-7 DTXSID9047205 1.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)C=CC1=CC=C(OC)C=C1 2-Ethylhexyl trans-4-methoxycinnamate 83834-59-7|2-Ethylhexyl trans-4-methoxycinnamate https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047205
ARPathway2016 ARPathway2016_1634 2-Ethylhexyl trans-4-methoxycinnamate 83834-59-7 DTXSID9047205 1.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C=CC1=CC=C(OC)C=C1 2-Ethylhexyl trans-4-methoxycinnamate 83834-59-7|2-Ethylhexyl trans-4-methoxycinnamate https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047205
ARPathway2016 ARPathway2016_1634 2-Ethylhexyl trans-4-methoxycinnamate 83834-59-7 DTXSID9047205 1.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)C=CC1=CC=C(OC)C=C1 2-Ethylhexyl trans-4-methoxycinnamate 83834-59-7|2-Ethylhexyl trans-4-methoxycinnamate https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047205
ERPathway2016 ERPathway2016_1698 2-Ethylhexyl trans-4-methoxycinnamate 83834-59-7 DTXSID9047205 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)C=CC1=CC=C(OC)C=C1 2-Ethylhexyl trans-4-methoxycinnamate 83834-59-7|2-Ethylhexyl trans-4-methoxycinnamate https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047205
ERPathway2016 ERPathway2016_1698 2-Ethylhexyl trans-4-methoxycinnamate 83834-59-7 DTXSID9047205 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C=CC1=CC=C(OC)C=C1 2-Ethylhexyl trans-4-methoxycinnamate 83834-59-7|2-Ethylhexyl trans-4-methoxycinnamate https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047205
ERPathway2016 ERPathway2016_1698 2-Ethylhexyl trans-4-methoxycinnamate 83834-59-7 DTXSID9047205 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C=CC1=CC=C(OC)C=C1 2-Ethylhexyl trans-4-methoxycinnamate 83834-59-7|2-Ethylhexyl trans-4-methoxycinnamate https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047205
ERPathway2016 ERPathway2016_1698 2-Ethylhexyl trans-4-methoxycinnamate 83834-59-7 DTXSID9047205 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)C=CC1=CC=C(OC)C=C1 2-Ethylhexyl trans-4-methoxycinnamate 83834-59-7|2-Ethylhexyl trans-4-methoxycinnamate https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047205
ARPathway2016 ARPathway2016_1692 2-Ethylphenol 90-00-6 DTXSID1022479 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC1=C(O)C=CC=C1 2-Ethylphenol 90-00-6|2-Ethylphenol|1-Ethyl-2-hydroxybenzene|1-Hydroxy-2-ethylbenzene|2-etilfenol|4-06-00-03011|Benzene, 1-ethyl-2-hydroxy-|BRN 1099397|EINECS 201-958-4|NSC 10112|o-Ethyl phenol|o-Ethylphenol|o-Hydroxyethylbenzene|Phenol, 2-ethyl-|Phenol, o-ethyl-|Phlorol|UNII-355O0P4JU7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022479 https://doi.org/10.22427/NTP-DATA-DTXSID1022479
ARPathway2016 ARPathway2016_1692 2-Ethylphenol 90-00-6 DTXSID1022479 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC1=C(O)C=CC=C1 2-Ethylphenol 90-00-6|2-Ethylphenol|1-Ethyl-2-hydroxybenzene|1-Hydroxy-2-ethylbenzene|2-etilfenol|4-06-00-03011|Benzene, 1-ethyl-2-hydroxy-|BRN 1099397|EINECS 201-958-4|NSC 10112|o-Ethyl phenol|o-Ethylphenol|o-Hydroxyethylbenzene|Phenol, 2-ethyl-|Phenol, o-ethyl-|Phlorol|UNII-355O0P4JU7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022479 https://doi.org/10.22427/NTP-DATA-DTXSID1022479
ARPathway2016 ARPathway2016_1692 2-Ethylphenol 90-00-6 DTXSID1022479 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC1=C(O)C=CC=C1 2-Ethylphenol 90-00-6|2-Ethylphenol|1-Ethyl-2-hydroxybenzene|1-Hydroxy-2-ethylbenzene|2-etilfenol|4-06-00-03011|Benzene, 1-ethyl-2-hydroxy-|BRN 1099397|EINECS 201-958-4|NSC 10112|o-Ethyl phenol|o-Ethylphenol|o-Hydroxyethylbenzene|Phenol, 2-ethyl-|Phenol, o-ethyl-|Phlorol|UNII-355O0P4JU7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022479 https://doi.org/10.22427/NTP-DATA-DTXSID1022479
ARPathway2016 ARPathway2016_1692 2-Ethylphenol 90-00-6 DTXSID1022479 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC1=C(O)C=CC=C1 2-Ethylphenol 90-00-6|2-Ethylphenol|1-Ethyl-2-hydroxybenzene|1-Hydroxy-2-ethylbenzene|2-etilfenol|4-06-00-03011|Benzene, 1-ethyl-2-hydroxy-|BRN 1099397|EINECS 201-958-4|NSC 10112|o-Ethyl phenol|o-Ethylphenol|o-Hydroxyethylbenzene|Phenol, 2-ethyl-|Phenol, o-ethyl-|Phlorol|UNII-355O0P4JU7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022479 https://doi.org/10.22427/NTP-DATA-DTXSID1022479
ERPathway2016 ERPathway2016_1728 2-Ethylphenol 90-00-6 DTXSID1022479 ER Pathway Model, Agonist Model Score 0 Unitless CCC1=C(O)C=CC=C1 2-Ethylphenol 90-00-6|2-Ethylphenol|1-Ethyl-2-hydroxybenzene|1-Hydroxy-2-ethylbenzene|2-etilfenol|4-06-00-03011|Benzene, 1-ethyl-2-hydroxy-|BRN 1099397|EINECS 201-958-4|NSC 10112|o-Ethyl phenol|o-Ethylphenol|o-Hydroxyethylbenzene|Phenol, 2-ethyl-|Phenol, o-ethyl-|Phlorol|UNII-355O0P4JU7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022479 https://doi.org/10.22427/NTP-DATA-DTXSID1022479
ERPathway2016 ERPathway2016_1728 2-Ethylphenol 90-00-6 DTXSID1022479 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=C(O)C=CC=C1 2-Ethylphenol 90-00-6|2-Ethylphenol|1-Ethyl-2-hydroxybenzene|1-Hydroxy-2-ethylbenzene|2-etilfenol|4-06-00-03011|Benzene, 1-ethyl-2-hydroxy-|BRN 1099397|EINECS 201-958-4|NSC 10112|o-Ethyl phenol|o-Ethylphenol|o-Hydroxyethylbenzene|Phenol, 2-ethyl-|Phenol, o-ethyl-|Phlorol|UNII-355O0P4JU7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022479 https://doi.org/10.22427/NTP-DATA-DTXSID1022479
ERPathway2016 ERPathway2016_1728 2-Ethylphenol 90-00-6 DTXSID1022479 ER Pathway Model, Agonist Call Inactive Unitless CCC1=C(O)C=CC=C1 2-Ethylphenol 90-00-6|2-Ethylphenol|1-Ethyl-2-hydroxybenzene|1-Hydroxy-2-ethylbenzene|2-etilfenol|4-06-00-03011|Benzene, 1-ethyl-2-hydroxy-|BRN 1099397|EINECS 201-958-4|NSC 10112|o-Ethyl phenol|o-Ethylphenol|o-Hydroxyethylbenzene|Phenol, 2-ethyl-|Phenol, o-ethyl-|Phlorol|UNII-355O0P4JU7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022479 https://doi.org/10.22427/NTP-DATA-DTXSID1022479
ERPathway2016 ERPathway2016_1728 2-Ethylphenol 90-00-6 DTXSID1022479 ER Pathway Model, Antagonist Call Inactive Unitless CCC1=C(O)C=CC=C1 2-Ethylphenol 90-00-6|2-Ethylphenol|1-Ethyl-2-hydroxybenzene|1-Hydroxy-2-ethylbenzene|2-etilfenol|4-06-00-03011|Benzene, 1-ethyl-2-hydroxy-|BRN 1099397|EINECS 201-958-4|NSC 10112|o-Ethyl phenol|o-Ethylphenol|o-Hydroxyethylbenzene|Phenol, 2-ethyl-|Phenol, o-ethyl-|Phlorol|UNII-355O0P4JU7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022479 https://doi.org/10.22427/NTP-DATA-DTXSID1022479
ARPathway2016 ARPathway2016_857 2-Fluoroacetic acid 144-49-0 DTXSID0041981 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CF 2-Fluoroacetic acid 144-49-0|2-Fluoroacetic acid|2-Fluoroacetic acid|205-631-7|4-02-00-00446|Acetic acid, 2-fluoro-|Acetic acid, fluoro-|Acide fluoroacetique|acide-monofluoracetique|acido fluoroacetico|Acido monofluoracetio|Acido monofluoroacetio|BRN 1739053|Caswell No. 462|Cymonic acid|EC No.: 205-631-7|EINECS 205-631-7|FLUORESSIGSAEURE|Fluoressigsaure|Fluoroacetic acid|Fluoroethanoic acid|Gifblaar poison|Monofluorazijnzuur|Monofluoressigsaure|Monofluoroacetate|Monofluoroacetic acid|P.C. Code 075001|PC Code 075001|UN 2642|UNII-AP1JV9U41M|a-Fluoroacetic acid|9074-77-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041981
ARPathway2016 ARPathway2016_857 2-Fluoroacetic acid 144-49-0 DTXSID0041981 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)CF 2-Fluoroacetic acid 144-49-0|2-Fluoroacetic acid|2-Fluoroacetic acid|205-631-7|4-02-00-00446|Acetic acid, 2-fluoro-|Acetic acid, fluoro-|Acide fluoroacetique|acide-monofluoracetique|acido fluoroacetico|Acido monofluoracetio|Acido monofluoroacetio|BRN 1739053|Caswell No. 462|Cymonic acid|EC No.: 205-631-7|EINECS 205-631-7|FLUORESSIGSAEURE|Fluoressigsaure|Fluoroacetic acid|Fluoroethanoic acid|Gifblaar poison|Monofluorazijnzuur|Monofluoressigsaure|Monofluoroacetate|Monofluoroacetic acid|P.C. Code 075001|PC Code 075001|UN 2642|UNII-AP1JV9U41M|a-Fluoroacetic acid|9074-77-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041981
ARPathway2016 ARPathway2016_857 2-Fluoroacetic acid 144-49-0 DTXSID0041981 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)CF 2-Fluoroacetic acid 144-49-0|2-Fluoroacetic acid|2-Fluoroacetic acid|205-631-7|4-02-00-00446|Acetic acid, 2-fluoro-|Acetic acid, fluoro-|Acide fluoroacetique|acide-monofluoracetique|acido fluoroacetico|Acido monofluoracetio|Acido monofluoroacetio|BRN 1739053|Caswell No. 462|Cymonic acid|EC No.: 205-631-7|EINECS 205-631-7|FLUORESSIGSAEURE|Fluoressigsaure|Fluoroacetic acid|Fluoroethanoic acid|Gifblaar poison|Monofluorazijnzuur|Monofluoressigsaure|Monofluoroacetate|Monofluoroacetic acid|P.C. Code 075001|PC Code 075001|UN 2642|UNII-AP1JV9U41M|a-Fluoroacetic acid|9074-77-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041981
ARPathway2016 ARPathway2016_857 2-Fluoroacetic acid 144-49-0 DTXSID0041981 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)CF 2-Fluoroacetic acid 144-49-0|2-Fluoroacetic acid|2-Fluoroacetic acid|205-631-7|4-02-00-00446|Acetic acid, 2-fluoro-|Acetic acid, fluoro-|Acide fluoroacetique|acide-monofluoracetique|acido fluoroacetico|Acido monofluoracetio|Acido monofluoroacetio|BRN 1739053|Caswell No. 462|Cymonic acid|EC No.: 205-631-7|EINECS 205-631-7|FLUORESSIGSAEURE|Fluoressigsaure|Fluoroacetic acid|Fluoroethanoic acid|Gifblaar poison|Monofluorazijnzuur|Monofluoressigsaure|Monofluoroacetate|Monofluoroacetic acid|P.C. Code 075001|PC Code 075001|UN 2642|UNII-AP1JV9U41M|a-Fluoroacetic acid|9074-77-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041981
ERPathway2016 ERPathway2016_1307 2-Fluoroacetic acid 144-49-0 DTXSID0041981 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)CF 2-Fluoroacetic acid 144-49-0|2-Fluoroacetic acid|2-Fluoroacetic acid|205-631-7|4-02-00-00446|Acetic acid, 2-fluoro-|Acetic acid, fluoro-|Acide fluoroacetique|acide-monofluoracetique|acido fluoroacetico|Acido monofluoracetio|Acido monofluoroacetio|BRN 1739053|Caswell No. 462|Cymonic acid|EC No.: 205-631-7|EINECS 205-631-7|FLUORESSIGSAEURE|Fluoressigsaure|Fluoroacetic acid|Fluoroethanoic acid|Gifblaar poison|Monofluorazijnzuur|Monofluoressigsaure|Monofluoroacetate|Monofluoroacetic acid|P.C. Code 075001|PC Code 075001|UN 2642|UNII-AP1JV9U41M|a-Fluoroacetic acid|9074-77-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041981
ERPathway2016 ERPathway2016_1307 2-Fluoroacetic acid 144-49-0 DTXSID0041981 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CF 2-Fluoroacetic acid 144-49-0|2-Fluoroacetic acid|2-Fluoroacetic acid|205-631-7|4-02-00-00446|Acetic acid, 2-fluoro-|Acetic acid, fluoro-|Acide fluoroacetique|acide-monofluoracetique|acido fluoroacetico|Acido monofluoracetio|Acido monofluoroacetio|BRN 1739053|Caswell No. 462|Cymonic acid|EC No.: 205-631-7|EINECS 205-631-7|FLUORESSIGSAEURE|Fluoressigsaure|Fluoroacetic acid|Fluoroethanoic acid|Gifblaar poison|Monofluorazijnzuur|Monofluoressigsaure|Monofluoroacetate|Monofluoroacetic acid|P.C. Code 075001|PC Code 075001|UN 2642|UNII-AP1JV9U41M|a-Fluoroacetic acid|9074-77-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041981
ERPathway2016 ERPathway2016_1307 2-Fluoroacetic acid 144-49-0 DTXSID0041981 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)CF 2-Fluoroacetic acid 144-49-0|2-Fluoroacetic acid|2-Fluoroacetic acid|205-631-7|4-02-00-00446|Acetic acid, 2-fluoro-|Acetic acid, fluoro-|Acide fluoroacetique|acide-monofluoracetique|acido fluoroacetico|Acido monofluoracetio|Acido monofluoroacetio|BRN 1739053|Caswell No. 462|Cymonic acid|EC No.: 205-631-7|EINECS 205-631-7|FLUORESSIGSAEURE|Fluoressigsaure|Fluoroacetic acid|Fluoroethanoic acid|Gifblaar poison|Monofluorazijnzuur|Monofluoressigsaure|Monofluoroacetate|Monofluoroacetic acid|P.C. Code 075001|PC Code 075001|UN 2642|UNII-AP1JV9U41M|a-Fluoroacetic acid|9074-77-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041981
ERPathway2016 ERPathway2016_1307 2-Fluoroacetic acid 144-49-0 DTXSID0041981 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)CF 2-Fluoroacetic acid 144-49-0|2-Fluoroacetic acid|2-Fluoroacetic acid|205-631-7|4-02-00-00446|Acetic acid, 2-fluoro-|Acetic acid, fluoro-|Acide fluoroacetique|acide-monofluoracetique|acido fluoroacetico|Acido monofluoracetio|Acido monofluoroacetio|BRN 1739053|Caswell No. 462|Cymonic acid|EC No.: 205-631-7|EINECS 205-631-7|FLUORESSIGSAEURE|Fluoressigsaure|Fluoroacetic acid|Fluoroethanoic acid|Gifblaar poison|Monofluorazijnzuur|Monofluoressigsaure|Monofluoroacetate|Monofluoroacetic acid|P.C. Code 075001|PC Code 075001|UN 2642|UNII-AP1JV9U41M|a-Fluoroacetic acid|9074-77-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041981
ARPathway2016 ARPathway2016_545 2-Heptanone 110-43-0 DTXSID5021916 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCC(C)=O 2-Heptanone 110-43-0|2-Heptanone|1-Methylhexanal|2-Oxoheptane|4-01-00-03318|Amyl methyl ketone|Amyl-methyl-cetone|BRN 1699063|Butylacetone|EINECS 203-767-1|FEMA Number 2544|Heptan-2-on|heptan-2-ona|Heptan-2-one|heptane-2-one|Ketone, methyl pentyl|Methyl amyl ketone|Methyl n-amyl ketone|Methyl n-pentyl ketone|Methyl pentyl ketone|Methyl-amyl-cetone|Methyl-n-amylketone|n-Amyl methyl ketone|n-Pentyl methyl ketone|NSC 7313|Pentyl methyl ketone|UN 1110|UNII-89VVP1B008 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021916
ARPathway2016 ARPathway2016_545 2-Heptanone 110-43-0 DTXSID5021916 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCC(C)=O 2-Heptanone 110-43-0|2-Heptanone|1-Methylhexanal|2-Oxoheptane|4-01-00-03318|Amyl methyl ketone|Amyl-methyl-cetone|BRN 1699063|Butylacetone|EINECS 203-767-1|FEMA Number 2544|Heptan-2-on|heptan-2-ona|Heptan-2-one|heptane-2-one|Ketone, methyl pentyl|Methyl amyl ketone|Methyl n-amyl ketone|Methyl n-pentyl ketone|Methyl pentyl ketone|Methyl-amyl-cetone|Methyl-n-amylketone|n-Amyl methyl ketone|n-Pentyl methyl ketone|NSC 7313|Pentyl methyl ketone|UN 1110|UNII-89VVP1B008 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021916
ARPathway2016 ARPathway2016_545 2-Heptanone 110-43-0 DTXSID5021916 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCC(C)=O 2-Heptanone 110-43-0|2-Heptanone|1-Methylhexanal|2-Oxoheptane|4-01-00-03318|Amyl methyl ketone|Amyl-methyl-cetone|BRN 1699063|Butylacetone|EINECS 203-767-1|FEMA Number 2544|Heptan-2-on|heptan-2-ona|Heptan-2-one|heptane-2-one|Ketone, methyl pentyl|Methyl amyl ketone|Methyl n-amyl ketone|Methyl n-pentyl ketone|Methyl pentyl ketone|Methyl-amyl-cetone|Methyl-n-amylketone|n-Amyl methyl ketone|n-Pentyl methyl ketone|NSC 7313|Pentyl methyl ketone|UN 1110|UNII-89VVP1B008 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021916
ARPathway2016 ARPathway2016_545 2-Heptanone 110-43-0 DTXSID5021916 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCC(C)=O 2-Heptanone 110-43-0|2-Heptanone|1-Methylhexanal|2-Oxoheptane|4-01-00-03318|Amyl methyl ketone|Amyl-methyl-cetone|BRN 1699063|Butylacetone|EINECS 203-767-1|FEMA Number 2544|Heptan-2-on|heptan-2-ona|Heptan-2-one|heptane-2-one|Ketone, methyl pentyl|Methyl amyl ketone|Methyl n-amyl ketone|Methyl n-pentyl ketone|Methyl pentyl ketone|Methyl-amyl-cetone|Methyl-n-amylketone|n-Amyl methyl ketone|n-Pentyl methyl ketone|NSC 7313|Pentyl methyl ketone|UN 1110|UNII-89VVP1B008 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021916
ERPathway2016 ERPathway2016_1135 2-Heptanone 110-43-0 DTXSID5021916 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCC(C)=O 2-Heptanone 110-43-0|2-Heptanone|1-Methylhexanal|2-Oxoheptane|4-01-00-03318|Amyl methyl ketone|Amyl-methyl-cetone|BRN 1699063|Butylacetone|EINECS 203-767-1|FEMA Number 2544|Heptan-2-on|heptan-2-ona|Heptan-2-one|heptane-2-one|Ketone, methyl pentyl|Methyl amyl ketone|Methyl n-amyl ketone|Methyl n-pentyl ketone|Methyl pentyl ketone|Methyl-amyl-cetone|Methyl-n-amylketone|n-Amyl methyl ketone|n-Pentyl methyl ketone|NSC 7313|Pentyl methyl ketone|UN 1110|UNII-89VVP1B008 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021916
ERPathway2016 ERPathway2016_1135 2-Heptanone 110-43-0 DTXSID5021916 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCC(C)=O 2-Heptanone 110-43-0|2-Heptanone|1-Methylhexanal|2-Oxoheptane|4-01-00-03318|Amyl methyl ketone|Amyl-methyl-cetone|BRN 1699063|Butylacetone|EINECS 203-767-1|FEMA Number 2544|Heptan-2-on|heptan-2-ona|Heptan-2-one|heptane-2-one|Ketone, methyl pentyl|Methyl amyl ketone|Methyl n-amyl ketone|Methyl n-pentyl ketone|Methyl pentyl ketone|Methyl-amyl-cetone|Methyl-n-amylketone|n-Amyl methyl ketone|n-Pentyl methyl ketone|NSC 7313|Pentyl methyl ketone|UN 1110|UNII-89VVP1B008 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021916
ERPathway2016 ERPathway2016_1135 2-Heptanone 110-43-0 DTXSID5021916 ER Pathway Model, Agonist Call Inactive Unitless CCCCCC(C)=O 2-Heptanone 110-43-0|2-Heptanone|1-Methylhexanal|2-Oxoheptane|4-01-00-03318|Amyl methyl ketone|Amyl-methyl-cetone|BRN 1699063|Butylacetone|EINECS 203-767-1|FEMA Number 2544|Heptan-2-on|heptan-2-ona|Heptan-2-one|heptane-2-one|Ketone, methyl pentyl|Methyl amyl ketone|Methyl n-amyl ketone|Methyl n-pentyl ketone|Methyl pentyl ketone|Methyl-amyl-cetone|Methyl-n-amylketone|n-Amyl methyl ketone|n-Pentyl methyl ketone|NSC 7313|Pentyl methyl ketone|UN 1110|UNII-89VVP1B008 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021916
ERPathway2016 ERPathway2016_1135 2-Heptanone 110-43-0 DTXSID5021916 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCC(C)=O 2-Heptanone 110-43-0|2-Heptanone|1-Methylhexanal|2-Oxoheptane|4-01-00-03318|Amyl methyl ketone|Amyl-methyl-cetone|BRN 1699063|Butylacetone|EINECS 203-767-1|FEMA Number 2544|Heptan-2-on|heptan-2-ona|Heptan-2-one|heptane-2-one|Ketone, methyl pentyl|Methyl amyl ketone|Methyl n-amyl ketone|Methyl n-pentyl ketone|Methyl pentyl ketone|Methyl-amyl-cetone|Methyl-n-amylketone|n-Amyl methyl ketone|n-Pentyl methyl ketone|NSC 7313|Pentyl methyl ketone|UN 1110|UNII-89VVP1B008 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021916
ARPathway2016 ARPathway2016_1032 2-Hexyl-1-decanol 2425-77-6 DTXSID1041265 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCC(CO)CCCCCC 2-Hexyl-1-decanol 2425-77-6|2-Hexyl-1-decanol|1-Decanol, 2-hexyl-|2-Hexyl-decan-1-ol|EINECS 219-370-1|UNII-151Z7P1317|123897-19-8|179606-93-0|179606-98-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041265
ARPathway2016 ARPathway2016_1032 2-Hexyl-1-decanol 2425-77-6 DTXSID1041265 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCC(CO)CCCCCC 2-Hexyl-1-decanol 2425-77-6|2-Hexyl-1-decanol|1-Decanol, 2-hexyl-|2-Hexyl-decan-1-ol|EINECS 219-370-1|UNII-151Z7P1317|123897-19-8|179606-93-0|179606-98-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041265
ARPathway2016 ARPathway2016_1032 2-Hexyl-1-decanol 2425-77-6 DTXSID1041265 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCC(CO)CCCCCC 2-Hexyl-1-decanol 2425-77-6|2-Hexyl-1-decanol|1-Decanol, 2-hexyl-|2-Hexyl-decan-1-ol|EINECS 219-370-1|UNII-151Z7P1317|123897-19-8|179606-93-0|179606-98-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041265
ARPathway2016 ARPathway2016_1032 2-Hexyl-1-decanol 2425-77-6 DTXSID1041265 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC(CO)CCCCCC 2-Hexyl-1-decanol 2425-77-6|2-Hexyl-1-decanol|1-Decanol, 2-hexyl-|2-Hexyl-decan-1-ol|EINECS 219-370-1|UNII-151Z7P1317|123897-19-8|179606-93-0|179606-98-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041265
ERPathway2016 ERPathway2016_53 2-Hexyl-1-decanol 2425-77-6 DTXSID1041265 A10 ER Pathway Model, Agonist AC50 44.7004650228578 uM CCCCCCCCC(CO)CCCCCC 2-Hexyl-1-decanol 2425-77-6|2-Hexyl-1-decanol|1-Decanol, 2-hexyl-|2-Hexyl-decan-1-ol|EINECS 219-370-1|UNII-151Z7P1317|123897-19-8|179606-93-0|179606-98-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041265
ERPathway2016 ERPathway2016_53 2-Hexyl-1-decanol 2425-77-6 DTXSID1041265 A10 ER Pathway Model, Agonist ACC 16.1369285921598 uM CCCCCCCCC(CO)CCCCCC 2-Hexyl-1-decanol 2425-77-6|2-Hexyl-1-decanol|1-Decanol, 2-hexyl-|2-Hexyl-decan-1-ol|EINECS 219-370-1|UNII-151Z7P1317|123897-19-8|179606-93-0|179606-98-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041265
ERPathway2016 ERPathway2016_53 2-Hexyl-1-decanol 2425-77-6 DTXSID1041265 A10 ER Pathway Model, Agonist Model Score 0.0021 Unitless CCCCCCCCC(CO)CCCCCC 2-Hexyl-1-decanol 2425-77-6|2-Hexyl-1-decanol|1-Decanol, 2-hexyl-|2-Hexyl-decan-1-ol|EINECS 219-370-1|UNII-151Z7P1317|123897-19-8|179606-93-0|179606-98-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041265
ERPathway2016 ERPathway2016_53 2-Hexyl-1-decanol 2425-77-6 DTXSID1041265 A10 ER Pathway Model, Antagonist Model Score 0.00695 Unitless CCCCCCCCC(CO)CCCCCC 2-Hexyl-1-decanol 2425-77-6|2-Hexyl-1-decanol|1-Decanol, 2-hexyl-|2-Hexyl-decan-1-ol|EINECS 219-370-1|UNII-151Z7P1317|123897-19-8|179606-93-0|179606-98-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041265
ERPathway2016 ERPathway2016_53 2-Hexyl-1-decanol 2425-77-6 DTXSID1041265 A10 ER Pathway Model, Agonist Call Active Unitless CCCCCCCCC(CO)CCCCCC 2-Hexyl-1-decanol 2425-77-6|2-Hexyl-1-decanol|1-Decanol, 2-hexyl-|2-Hexyl-decan-1-ol|EINECS 219-370-1|UNII-151Z7P1317|123897-19-8|179606-93-0|179606-98-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041265
ERPathway2016 ERPathway2016_53 2-Hexyl-1-decanol 2425-77-6 DTXSID1041265 A10 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC(CO)CCCCCC 2-Hexyl-1-decanol 2425-77-6|2-Hexyl-1-decanol|1-Decanol, 2-hexyl-|2-Hexyl-decan-1-ol|EINECS 219-370-1|UNII-151Z7P1317|123897-19-8|179606-93-0|179606-98-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041265
ARPathway2016 ARPathway2016_600 2-Hexyloxyethanol 112-25-4 DTXSID1026908 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCOCCO 2-Hexyloxyethanol 112-25-4|2-Hexyloxyethanol|2-(Hexyloxy)ethanol|2-hexiloxietanol|3-Oxa-1-nonanol|4-01-00-02383|AETHYLENGLYKOL-MONOHEXYLAETHER|BRN 1734691|Cellosolve, n-hexyl-|EINECS 203-951-1|Ethanol, 2-(hexyloxy)-|Ethanol, 2-hexyloxy-|Ethylene glycol mono-n-hexyl ether|Ethylene glycol monohexyl ether|Ethylene glycol n-hexyl ether|Ethylene glycol-n-monohexyl ether|Glycol monohexyl ether|Hexyl cellosolve|n-HEXYL CELLOSOLVE|UNII-7P0O8282NR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026908
ARPathway2016 ARPathway2016_600 2-Hexyloxyethanol 112-25-4 DTXSID1026908 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCOCCO 2-Hexyloxyethanol 112-25-4|2-Hexyloxyethanol|2-(Hexyloxy)ethanol|2-hexiloxietanol|3-Oxa-1-nonanol|4-01-00-02383|AETHYLENGLYKOL-MONOHEXYLAETHER|BRN 1734691|Cellosolve, n-hexyl-|EINECS 203-951-1|Ethanol, 2-(hexyloxy)-|Ethanol, 2-hexyloxy-|Ethylene glycol mono-n-hexyl ether|Ethylene glycol monohexyl ether|Ethylene glycol n-hexyl ether|Ethylene glycol-n-monohexyl ether|Glycol monohexyl ether|Hexyl cellosolve|n-HEXYL CELLOSOLVE|UNII-7P0O8282NR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026908
ARPathway2016 ARPathway2016_600 2-Hexyloxyethanol 112-25-4 DTXSID1026908 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCOCCO 2-Hexyloxyethanol 112-25-4|2-Hexyloxyethanol|2-(Hexyloxy)ethanol|2-hexiloxietanol|3-Oxa-1-nonanol|4-01-00-02383|AETHYLENGLYKOL-MONOHEXYLAETHER|BRN 1734691|Cellosolve, n-hexyl-|EINECS 203-951-1|Ethanol, 2-(hexyloxy)-|Ethanol, 2-hexyloxy-|Ethylene glycol mono-n-hexyl ether|Ethylene glycol monohexyl ether|Ethylene glycol n-hexyl ether|Ethylene glycol-n-monohexyl ether|Glycol monohexyl ether|Hexyl cellosolve|n-HEXYL CELLOSOLVE|UNII-7P0O8282NR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026908
ARPathway2016 ARPathway2016_600 2-Hexyloxyethanol 112-25-4 DTXSID1026908 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCOCCO 2-Hexyloxyethanol 112-25-4|2-Hexyloxyethanol|2-(Hexyloxy)ethanol|2-hexiloxietanol|3-Oxa-1-nonanol|4-01-00-02383|AETHYLENGLYKOL-MONOHEXYLAETHER|BRN 1734691|Cellosolve, n-hexyl-|EINECS 203-951-1|Ethanol, 2-(hexyloxy)-|Ethanol, 2-hexyloxy-|Ethylene glycol mono-n-hexyl ether|Ethylene glycol monohexyl ether|Ethylene glycol n-hexyl ether|Ethylene glycol-n-monohexyl ether|Glycol monohexyl ether|Hexyl cellosolve|n-HEXYL CELLOSOLVE|UNII-7P0O8282NR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026908
ERPathway2016 ERPathway2016_1169 2-Hexyloxyethanol 112-25-4 DTXSID1026908 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCOCCO 2-Hexyloxyethanol 112-25-4|2-Hexyloxyethanol|2-(Hexyloxy)ethanol|2-hexiloxietanol|3-Oxa-1-nonanol|4-01-00-02383|AETHYLENGLYKOL-MONOHEXYLAETHER|BRN 1734691|Cellosolve, n-hexyl-|EINECS 203-951-1|Ethanol, 2-(hexyloxy)-|Ethanol, 2-hexyloxy-|Ethylene glycol mono-n-hexyl ether|Ethylene glycol monohexyl ether|Ethylene glycol n-hexyl ether|Ethylene glycol-n-monohexyl ether|Glycol monohexyl ether|Hexyl cellosolve|n-HEXYL CELLOSOLVE|UNII-7P0O8282NR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026908
ERPathway2016 ERPathway2016_1169 2-Hexyloxyethanol 112-25-4 DTXSID1026908 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCOCCO 2-Hexyloxyethanol 112-25-4|2-Hexyloxyethanol|2-(Hexyloxy)ethanol|2-hexiloxietanol|3-Oxa-1-nonanol|4-01-00-02383|AETHYLENGLYKOL-MONOHEXYLAETHER|BRN 1734691|Cellosolve, n-hexyl-|EINECS 203-951-1|Ethanol, 2-(hexyloxy)-|Ethanol, 2-hexyloxy-|Ethylene glycol mono-n-hexyl ether|Ethylene glycol monohexyl ether|Ethylene glycol n-hexyl ether|Ethylene glycol-n-monohexyl ether|Glycol monohexyl ether|Hexyl cellosolve|n-HEXYL CELLOSOLVE|UNII-7P0O8282NR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026908
ERPathway2016 ERPathway2016_1169 2-Hexyloxyethanol 112-25-4 DTXSID1026908 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCOCCO 2-Hexyloxyethanol 112-25-4|2-Hexyloxyethanol|2-(Hexyloxy)ethanol|2-hexiloxietanol|3-Oxa-1-nonanol|4-01-00-02383|AETHYLENGLYKOL-MONOHEXYLAETHER|BRN 1734691|Cellosolve, n-hexyl-|EINECS 203-951-1|Ethanol, 2-(hexyloxy)-|Ethanol, 2-hexyloxy-|Ethylene glycol mono-n-hexyl ether|Ethylene glycol monohexyl ether|Ethylene glycol n-hexyl ether|Ethylene glycol-n-monohexyl ether|Glycol monohexyl ether|Hexyl cellosolve|n-HEXYL CELLOSOLVE|UNII-7P0O8282NR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026908
ERPathway2016 ERPathway2016_1169 2-Hexyloxyethanol 112-25-4 DTXSID1026908 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCOCCO 2-Hexyloxyethanol 112-25-4|2-Hexyloxyethanol|2-(Hexyloxy)ethanol|2-hexiloxietanol|3-Oxa-1-nonanol|4-01-00-02383|AETHYLENGLYKOL-MONOHEXYLAETHER|BRN 1734691|Cellosolve, n-hexyl-|EINECS 203-951-1|Ethanol, 2-(hexyloxy)-|Ethanol, 2-hexyloxy-|Ethylene glycol mono-n-hexyl ether|Ethylene glycol monohexyl ether|Ethylene glycol n-hexyl ether|Ethylene glycol-n-monohexyl ether|Glycol monohexyl ether|Hexyl cellosolve|n-HEXYL CELLOSOLVE|UNII-7P0O8282NR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026908
ARPathway2016 ARPathway2016_1531 2-Hydroxy-2-methylpropanenitrile 75-86-5 DTXSID7025427 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(O)C#N 2-Hydroxy-2-methylpropanenitrile 75-86-5|2-Hydroxy-2-methylpropanenitrile|2-Cyano-2-hydroxypropane|2-Cyano-2-propanol|2-hidroxi-2-metilpropionitrilo|2-Hydroxy-2-cyanopropane|2-Hydroxy-2-methylpropionitril|2-hydroxy-2-methylpropionitrile|2-Hydroxy-2-methylpropiononitrile|2-Hydroxyisobutyronitrile|2-Methyl-2-hydroxypropionitrile|2-Methyllactonitrile|2-Propanone, cyanohydrin|4-03-00-00785|Acetoncianhidrinei|Acetoncianidrina|Acetoncyaanhydrine|ACETONCYANHYDRIN|Acetone cyanohydrin|Acetonecyanhydrine|Acetonkyanhydrin|BRN 0605391|Cyanhydrine d'acetone|Dimethyl ketone cyanohydrin|EINECS 200-909-4|Lactonitrile, 2-methyl-|NSC 131093|NSC 7080|NSC 977|Propanenitrile, 2-hydroxy-2-methyl-|RCRA waste number P069|UN 1541|UNII-CO1YOV1KFI|a-Hydroxyisobutyronitrile|59182-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025427 https://doi.org/10.22427/NTP-DATA-DTXSID7025427
ARPathway2016 ARPathway2016_1531 2-Hydroxy-2-methylpropanenitrile 75-86-5 DTXSID7025427 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(O)C#N 2-Hydroxy-2-methylpropanenitrile 75-86-5|2-Hydroxy-2-methylpropanenitrile|2-Cyano-2-hydroxypropane|2-Cyano-2-propanol|2-hidroxi-2-metilpropionitrilo|2-Hydroxy-2-cyanopropane|2-Hydroxy-2-methylpropionitril|2-hydroxy-2-methylpropionitrile|2-Hydroxy-2-methylpropiononitrile|2-Hydroxyisobutyronitrile|2-Methyl-2-hydroxypropionitrile|2-Methyllactonitrile|2-Propanone, cyanohydrin|4-03-00-00785|Acetoncianhidrinei|Acetoncianidrina|Acetoncyaanhydrine|ACETONCYANHYDRIN|Acetone cyanohydrin|Acetonecyanhydrine|Acetonkyanhydrin|BRN 0605391|Cyanhydrine d'acetone|Dimethyl ketone cyanohydrin|EINECS 200-909-4|Lactonitrile, 2-methyl-|NSC 131093|NSC 7080|NSC 977|Propanenitrile, 2-hydroxy-2-methyl-|RCRA waste number P069|UN 1541|UNII-CO1YOV1KFI|a-Hydroxyisobutyronitrile|59182-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025427 https://doi.org/10.22427/NTP-DATA-DTXSID7025427
ARPathway2016 ARPathway2016_1531 2-Hydroxy-2-methylpropanenitrile 75-86-5 DTXSID7025427 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(O)C#N 2-Hydroxy-2-methylpropanenitrile 75-86-5|2-Hydroxy-2-methylpropanenitrile|2-Cyano-2-hydroxypropane|2-Cyano-2-propanol|2-hidroxi-2-metilpropionitrilo|2-Hydroxy-2-cyanopropane|2-Hydroxy-2-methylpropionitril|2-hydroxy-2-methylpropionitrile|2-Hydroxy-2-methylpropiononitrile|2-Hydroxyisobutyronitrile|2-Methyl-2-hydroxypropionitrile|2-Methyllactonitrile|2-Propanone, cyanohydrin|4-03-00-00785|Acetoncianhidrinei|Acetoncianidrina|Acetoncyaanhydrine|ACETONCYANHYDRIN|Acetone cyanohydrin|Acetonecyanhydrine|Acetonkyanhydrin|BRN 0605391|Cyanhydrine d'acetone|Dimethyl ketone cyanohydrin|EINECS 200-909-4|Lactonitrile, 2-methyl-|NSC 131093|NSC 7080|NSC 977|Propanenitrile, 2-hydroxy-2-methyl-|RCRA waste number P069|UN 1541|UNII-CO1YOV1KFI|a-Hydroxyisobutyronitrile|59182-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025427 https://doi.org/10.22427/NTP-DATA-DTXSID7025427
ARPathway2016 ARPathway2016_1531 2-Hydroxy-2-methylpropanenitrile 75-86-5 DTXSID7025427 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(O)C#N 2-Hydroxy-2-methylpropanenitrile 75-86-5|2-Hydroxy-2-methylpropanenitrile|2-Cyano-2-hydroxypropane|2-Cyano-2-propanol|2-hidroxi-2-metilpropionitrilo|2-Hydroxy-2-cyanopropane|2-Hydroxy-2-methylpropionitril|2-hydroxy-2-methylpropionitrile|2-Hydroxy-2-methylpropiononitrile|2-Hydroxyisobutyronitrile|2-Methyl-2-hydroxypropionitrile|2-Methyllactonitrile|2-Propanone, cyanohydrin|4-03-00-00785|Acetoncianhidrinei|Acetoncianidrina|Acetoncyaanhydrine|ACETONCYANHYDRIN|Acetone cyanohydrin|Acetonecyanhydrine|Acetonkyanhydrin|BRN 0605391|Cyanhydrine d'acetone|Dimethyl ketone cyanohydrin|EINECS 200-909-4|Lactonitrile, 2-methyl-|NSC 131093|NSC 7080|NSC 977|Propanenitrile, 2-hydroxy-2-methyl-|RCRA waste number P069|UN 1541|UNII-CO1YOV1KFI|a-Hydroxyisobutyronitrile|59182-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025427 https://doi.org/10.22427/NTP-DATA-DTXSID7025427
ERPathway2016 ERPathway2016_444 2-Hydroxy-2-methylpropanenitrile 75-86-5 DTXSID7025427 ER Pathway Model, Antagonist AC50 46.4253524458075 uM CC(C)(O)C#N 2-Hydroxy-2-methylpropanenitrile 75-86-5|2-Hydroxy-2-methylpropanenitrile|2-Cyano-2-hydroxypropane|2-Cyano-2-propanol|2-hidroxi-2-metilpropionitrilo|2-Hydroxy-2-cyanopropane|2-Hydroxy-2-methylpropionitril|2-hydroxy-2-methylpropionitrile|2-Hydroxy-2-methylpropiononitrile|2-Hydroxyisobutyronitrile|2-Methyl-2-hydroxypropionitrile|2-Methyllactonitrile|2-Propanone, cyanohydrin|4-03-00-00785|Acetoncianhidrinei|Acetoncianidrina|Acetoncyaanhydrine|ACETONCYANHYDRIN|Acetone cyanohydrin|Acetonecyanhydrine|Acetonkyanhydrin|BRN 0605391|Cyanhydrine d'acetone|Dimethyl ketone cyanohydrin|EINECS 200-909-4|Lactonitrile, 2-methyl-|NSC 131093|NSC 7080|NSC 977|Propanenitrile, 2-hydroxy-2-methyl-|RCRA waste number P069|UN 1541|UNII-CO1YOV1KFI|a-Hydroxyisobutyronitrile|59182-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025427 https://doi.org/10.22427/NTP-DATA-DTXSID7025427
ERPathway2016 ERPathway2016_444 2-Hydroxy-2-methylpropanenitrile 75-86-5 DTXSID7025427 ER Pathway Model, Antagonist ACC 85.1610267862527 uM CC(C)(O)C#N 2-Hydroxy-2-methylpropanenitrile 75-86-5|2-Hydroxy-2-methylpropanenitrile|2-Cyano-2-hydroxypropane|2-Cyano-2-propanol|2-hidroxi-2-metilpropionitrilo|2-Hydroxy-2-cyanopropane|2-Hydroxy-2-methylpropionitril|2-hydroxy-2-methylpropionitrile|2-Hydroxy-2-methylpropiononitrile|2-Hydroxyisobutyronitrile|2-Methyl-2-hydroxypropionitrile|2-Methyllactonitrile|2-Propanone, cyanohydrin|4-03-00-00785|Acetoncianhidrinei|Acetoncianidrina|Acetoncyaanhydrine|ACETONCYANHYDRIN|Acetone cyanohydrin|Acetonecyanhydrine|Acetonkyanhydrin|BRN 0605391|Cyanhydrine d'acetone|Dimethyl ketone cyanohydrin|EINECS 200-909-4|Lactonitrile, 2-methyl-|NSC 131093|NSC 7080|NSC 977|Propanenitrile, 2-hydroxy-2-methyl-|RCRA waste number P069|UN 1541|UNII-CO1YOV1KFI|a-Hydroxyisobutyronitrile|59182-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025427 https://doi.org/10.22427/NTP-DATA-DTXSID7025427
ERPathway2016 ERPathway2016_444 2-Hydroxy-2-methylpropanenitrile 75-86-5 DTXSID7025427 ER Pathway Model, Agonist Model Score 0.00499 Unitless CC(C)(O)C#N 2-Hydroxy-2-methylpropanenitrile 75-86-5|2-Hydroxy-2-methylpropanenitrile|2-Cyano-2-hydroxypropane|2-Cyano-2-propanol|2-hidroxi-2-metilpropionitrilo|2-Hydroxy-2-cyanopropane|2-Hydroxy-2-methylpropionitril|2-hydroxy-2-methylpropionitrile|2-Hydroxy-2-methylpropiononitrile|2-Hydroxyisobutyronitrile|2-Methyl-2-hydroxypropionitrile|2-Methyllactonitrile|2-Propanone, cyanohydrin|4-03-00-00785|Acetoncianhidrinei|Acetoncianidrina|Acetoncyaanhydrine|ACETONCYANHYDRIN|Acetone cyanohydrin|Acetonecyanhydrine|Acetonkyanhydrin|BRN 0605391|Cyanhydrine d'acetone|Dimethyl ketone cyanohydrin|EINECS 200-909-4|Lactonitrile, 2-methyl-|NSC 131093|NSC 7080|NSC 977|Propanenitrile, 2-hydroxy-2-methyl-|RCRA waste number P069|UN 1541|UNII-CO1YOV1KFI|a-Hydroxyisobutyronitrile|59182-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025427 https://doi.org/10.22427/NTP-DATA-DTXSID7025427
ERPathway2016 ERPathway2016_444 2-Hydroxy-2-methylpropanenitrile 75-86-5 DTXSID7025427 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(O)C#N 2-Hydroxy-2-methylpropanenitrile 75-86-5|2-Hydroxy-2-methylpropanenitrile|2-Cyano-2-hydroxypropane|2-Cyano-2-propanol|2-hidroxi-2-metilpropionitrilo|2-Hydroxy-2-cyanopropane|2-Hydroxy-2-methylpropionitril|2-hydroxy-2-methylpropionitrile|2-Hydroxy-2-methylpropiononitrile|2-Hydroxyisobutyronitrile|2-Methyl-2-hydroxypropionitrile|2-Methyllactonitrile|2-Propanone, cyanohydrin|4-03-00-00785|Acetoncianhidrinei|Acetoncianidrina|Acetoncyaanhydrine|ACETONCYANHYDRIN|Acetone cyanohydrin|Acetonecyanhydrine|Acetonkyanhydrin|BRN 0605391|Cyanhydrine d'acetone|Dimethyl ketone cyanohydrin|EINECS 200-909-4|Lactonitrile, 2-methyl-|NSC 131093|NSC 7080|NSC 977|Propanenitrile, 2-hydroxy-2-methyl-|RCRA waste number P069|UN 1541|UNII-CO1YOV1KFI|a-Hydroxyisobutyronitrile|59182-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025427 https://doi.org/10.22427/NTP-DATA-DTXSID7025427
ERPathway2016 ERPathway2016_444 2-Hydroxy-2-methylpropanenitrile 75-86-5 DTXSID7025427 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(O)C#N 2-Hydroxy-2-methylpropanenitrile 75-86-5|2-Hydroxy-2-methylpropanenitrile|2-Cyano-2-hydroxypropane|2-Cyano-2-propanol|2-hidroxi-2-metilpropionitrilo|2-Hydroxy-2-cyanopropane|2-Hydroxy-2-methylpropionitril|2-hydroxy-2-methylpropionitrile|2-Hydroxy-2-methylpropiononitrile|2-Hydroxyisobutyronitrile|2-Methyl-2-hydroxypropionitrile|2-Methyllactonitrile|2-Propanone, cyanohydrin|4-03-00-00785|Acetoncianhidrinei|Acetoncianidrina|Acetoncyaanhydrine|ACETONCYANHYDRIN|Acetone cyanohydrin|Acetonecyanhydrine|Acetonkyanhydrin|BRN 0605391|Cyanhydrine d'acetone|Dimethyl ketone cyanohydrin|EINECS 200-909-4|Lactonitrile, 2-methyl-|NSC 131093|NSC 7080|NSC 977|Propanenitrile, 2-hydroxy-2-methyl-|RCRA waste number P069|UN 1541|UNII-CO1YOV1KFI|a-Hydroxyisobutyronitrile|59182-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025427 https://doi.org/10.22427/NTP-DATA-DTXSID7025427
ERPathway2016 ERPathway2016_444 2-Hydroxy-2-methylpropanenitrile 75-86-5 DTXSID7025427 ER Pathway Model, Antagonist Call Active Unitless CC(C)(O)C#N 2-Hydroxy-2-methylpropanenitrile 75-86-5|2-Hydroxy-2-methylpropanenitrile|2-Cyano-2-hydroxypropane|2-Cyano-2-propanol|2-hidroxi-2-metilpropionitrilo|2-Hydroxy-2-cyanopropane|2-Hydroxy-2-methylpropionitril|2-hydroxy-2-methylpropionitrile|2-Hydroxy-2-methylpropiononitrile|2-Hydroxyisobutyronitrile|2-Methyl-2-hydroxypropionitrile|2-Methyllactonitrile|2-Propanone, cyanohydrin|4-03-00-00785|Acetoncianhidrinei|Acetoncianidrina|Acetoncyaanhydrine|ACETONCYANHYDRIN|Acetone cyanohydrin|Acetonecyanhydrine|Acetonkyanhydrin|BRN 0605391|Cyanhydrine d'acetone|Dimethyl ketone cyanohydrin|EINECS 200-909-4|Lactonitrile, 2-methyl-|NSC 131093|NSC 7080|NSC 977|Propanenitrile, 2-hydroxy-2-methyl-|RCRA waste number P069|UN 1541|UNII-CO1YOV1KFI|a-Hydroxyisobutyronitrile|59182-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025427 https://doi.org/10.22427/NTP-DATA-DTXSID7025427
ARPathway2016 ARPathway2016_777 2-Hydroxy-4-methoxybenzophenone 131-57-7 DTXSID3022405 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2-Hydroxy-4-methoxybenzophenone 131-57-7|2-Hydroxy-4-methoxybenzophenone|(2-Hydroxy-4-methoxyphenyl)phenyl methanone|(2-hydroxy-4-methoxyphenyl)phenylmethanone|2-Benzoyl-5-methoxyphenol|2-HYDROXY-4-METHOXY-BENZOPHENON|4-Methoxy-2-hydroxybenzophenone|Advastab 45|Benzophenone 3|Benzophenone-3|BENZOPHENONE, 2-HYDROXY-4-METHOXY-|BENZOPHENONE, 3-|BRN 1913145|Chimassorb 90|Cyasorb UV 9|Cyasorb UV 9 Light Absorber|EINECS 205-031-5|Escalol 567|Eusolex 4360|Jeescreen Benzophenone 3|METHANONE, (2-HYDROXY-4-METHOXYPHENYL)PHENYL|Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-|NCI-C60957|Neo Heliopan BB|NSC 7778|NSC-7778|Ongrostab HMB|oxibenzona|Oxibenzonum|Oxybenzon|Oxybenzone|Oxybenzonum|Seesorb 101|Spectra-Sorb UV 9|Sumisorb 110|Sunscreen UV 15|Sunscreen UV-15|Tinosorb B 3|UNII-95OOS7VE0Y|Uvasorb MET/C|Uvinul 3040|Uvinul M 40|Viosorb 110|138464-23-0|14375-37-2|153859-73-5|2216794-47-5|58392-15-7|58392-22-6|897050-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022405 https://doi.org/10.22427/NTP-DATA-DTXSID3022405
ARPathway2016 ARPathway2016_777 2-Hydroxy-4-methoxybenzophenone 131-57-7 DTXSID3022405 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2-Hydroxy-4-methoxybenzophenone 131-57-7|2-Hydroxy-4-methoxybenzophenone|(2-Hydroxy-4-methoxyphenyl)phenyl methanone|(2-hydroxy-4-methoxyphenyl)phenylmethanone|2-Benzoyl-5-methoxyphenol|2-HYDROXY-4-METHOXY-BENZOPHENON|4-Methoxy-2-hydroxybenzophenone|Advastab 45|Benzophenone 3|Benzophenone-3|BENZOPHENONE, 2-HYDROXY-4-METHOXY-|BENZOPHENONE, 3-|BRN 1913145|Chimassorb 90|Cyasorb UV 9|Cyasorb UV 9 Light Absorber|EINECS 205-031-5|Escalol 567|Eusolex 4360|Jeescreen Benzophenone 3|METHANONE, (2-HYDROXY-4-METHOXYPHENYL)PHENYL|Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-|NCI-C60957|Neo Heliopan BB|NSC 7778|NSC-7778|Ongrostab HMB|oxibenzona|Oxibenzonum|Oxybenzon|Oxybenzone|Oxybenzonum|Seesorb 101|Spectra-Sorb UV 9|Sumisorb 110|Sunscreen UV 15|Sunscreen UV-15|Tinosorb B 3|UNII-95OOS7VE0Y|Uvasorb MET/C|Uvinul 3040|Uvinul M 40|Viosorb 110|138464-23-0|14375-37-2|153859-73-5|2216794-47-5|58392-15-7|58392-22-6|897050-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022405 https://doi.org/10.22427/NTP-DATA-DTXSID3022405
ARPathway2016 ARPathway2016_777 2-Hydroxy-4-methoxybenzophenone 131-57-7 DTXSID3022405 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2-Hydroxy-4-methoxybenzophenone 131-57-7|2-Hydroxy-4-methoxybenzophenone|(2-Hydroxy-4-methoxyphenyl)phenyl methanone|(2-hydroxy-4-methoxyphenyl)phenylmethanone|2-Benzoyl-5-methoxyphenol|2-HYDROXY-4-METHOXY-BENZOPHENON|4-Methoxy-2-hydroxybenzophenone|Advastab 45|Benzophenone 3|Benzophenone-3|BENZOPHENONE, 2-HYDROXY-4-METHOXY-|BENZOPHENONE, 3-|BRN 1913145|Chimassorb 90|Cyasorb UV 9|Cyasorb UV 9 Light Absorber|EINECS 205-031-5|Escalol 567|Eusolex 4360|Jeescreen Benzophenone 3|METHANONE, (2-HYDROXY-4-METHOXYPHENYL)PHENYL|Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-|NCI-C60957|Neo Heliopan BB|NSC 7778|NSC-7778|Ongrostab HMB|oxibenzona|Oxibenzonum|Oxybenzon|Oxybenzone|Oxybenzonum|Seesorb 101|Spectra-Sorb UV 9|Sumisorb 110|Sunscreen UV 15|Sunscreen UV-15|Tinosorb B 3|UNII-95OOS7VE0Y|Uvasorb MET/C|Uvinul 3040|Uvinul M 40|Viosorb 110|138464-23-0|14375-37-2|153859-73-5|2216794-47-5|58392-15-7|58392-22-6|897050-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022405 https://doi.org/10.22427/NTP-DATA-DTXSID3022405
ARPathway2016 ARPathway2016_777 2-Hydroxy-4-methoxybenzophenone 131-57-7 DTXSID3022405 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2-Hydroxy-4-methoxybenzophenone 131-57-7|2-Hydroxy-4-methoxybenzophenone|(2-Hydroxy-4-methoxyphenyl)phenyl methanone|(2-hydroxy-4-methoxyphenyl)phenylmethanone|2-Benzoyl-5-methoxyphenol|2-HYDROXY-4-METHOXY-BENZOPHENON|4-Methoxy-2-hydroxybenzophenone|Advastab 45|Benzophenone 3|Benzophenone-3|BENZOPHENONE, 2-HYDROXY-4-METHOXY-|BENZOPHENONE, 3-|BRN 1913145|Chimassorb 90|Cyasorb UV 9|Cyasorb UV 9 Light Absorber|EINECS 205-031-5|Escalol 567|Eusolex 4360|Jeescreen Benzophenone 3|METHANONE, (2-HYDROXY-4-METHOXYPHENYL)PHENYL|Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-|NCI-C60957|Neo Heliopan BB|NSC 7778|NSC-7778|Ongrostab HMB|oxibenzona|Oxibenzonum|Oxybenzon|Oxybenzone|Oxybenzonum|Seesorb 101|Spectra-Sorb UV 9|Sumisorb 110|Sunscreen UV 15|Sunscreen UV-15|Tinosorb B 3|UNII-95OOS7VE0Y|Uvasorb MET/C|Uvinul 3040|Uvinul M 40|Viosorb 110|138464-23-0|14375-37-2|153859-73-5|2216794-47-5|58392-15-7|58392-22-6|897050-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022405 https://doi.org/10.22427/NTP-DATA-DTXSID3022405
ERPathway2016 ERPathway2016_264 2-Hydroxy-4-methoxybenzophenone 131-57-7 DTXSID3022405 ER Pathway Model, Antagonist AC50 26.0389468453684 uM COC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2-Hydroxy-4-methoxybenzophenone 131-57-7|2-Hydroxy-4-methoxybenzophenone|(2-Hydroxy-4-methoxyphenyl)phenyl methanone|(2-hydroxy-4-methoxyphenyl)phenylmethanone|2-Benzoyl-5-methoxyphenol|2-HYDROXY-4-METHOXY-BENZOPHENON|4-Methoxy-2-hydroxybenzophenone|Advastab 45|Benzophenone 3|Benzophenone-3|BENZOPHENONE, 2-HYDROXY-4-METHOXY-|BENZOPHENONE, 3-|BRN 1913145|Chimassorb 90|Cyasorb UV 9|Cyasorb UV 9 Light Absorber|EINECS 205-031-5|Escalol 567|Eusolex 4360|Jeescreen Benzophenone 3|METHANONE, (2-HYDROXY-4-METHOXYPHENYL)PHENYL|Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-|NCI-C60957|Neo Heliopan BB|NSC 7778|NSC-7778|Ongrostab HMB|oxibenzona|Oxibenzonum|Oxybenzon|Oxybenzone|Oxybenzonum|Seesorb 101|Spectra-Sorb UV 9|Sumisorb 110|Sunscreen UV 15|Sunscreen UV-15|Tinosorb B 3|UNII-95OOS7VE0Y|Uvasorb MET/C|Uvinul 3040|Uvinul M 40|Viosorb 110|138464-23-0|14375-37-2|153859-73-5|2216794-47-5|58392-15-7|58392-22-6|897050-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022405 https://doi.org/10.22427/NTP-DATA-DTXSID3022405
ERPathway2016 ERPathway2016_264 2-Hydroxy-4-methoxybenzophenone 131-57-7 DTXSID3022405 ER Pathway Model, Antagonist ACC 13.8887584840494 uM COC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2-Hydroxy-4-methoxybenzophenone 131-57-7|2-Hydroxy-4-methoxybenzophenone|(2-Hydroxy-4-methoxyphenyl)phenyl methanone|(2-hydroxy-4-methoxyphenyl)phenylmethanone|2-Benzoyl-5-methoxyphenol|2-HYDROXY-4-METHOXY-BENZOPHENON|4-Methoxy-2-hydroxybenzophenone|Advastab 45|Benzophenone 3|Benzophenone-3|BENZOPHENONE, 2-HYDROXY-4-METHOXY-|BENZOPHENONE, 3-|BRN 1913145|Chimassorb 90|Cyasorb UV 9|Cyasorb UV 9 Light Absorber|EINECS 205-031-5|Escalol 567|Eusolex 4360|Jeescreen Benzophenone 3|METHANONE, (2-HYDROXY-4-METHOXYPHENYL)PHENYL|Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-|NCI-C60957|Neo Heliopan BB|NSC 7778|NSC-7778|Ongrostab HMB|oxibenzona|Oxibenzonum|Oxybenzon|Oxybenzone|Oxybenzonum|Seesorb 101|Spectra-Sorb UV 9|Sumisorb 110|Sunscreen UV 15|Sunscreen UV-15|Tinosorb B 3|UNII-95OOS7VE0Y|Uvasorb MET/C|Uvinul 3040|Uvinul M 40|Viosorb 110|138464-23-0|14375-37-2|153859-73-5|2216794-47-5|58392-15-7|58392-22-6|897050-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022405 https://doi.org/10.22427/NTP-DATA-DTXSID3022405
ERPathway2016 ERPathway2016_264 2-Hydroxy-4-methoxybenzophenone 131-57-7 DTXSID3022405 ER Pathway Model, Agonist Model Score 0.0645 Unitless COC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2-Hydroxy-4-methoxybenzophenone 131-57-7|2-Hydroxy-4-methoxybenzophenone|(2-Hydroxy-4-methoxyphenyl)phenyl methanone|(2-hydroxy-4-methoxyphenyl)phenylmethanone|2-Benzoyl-5-methoxyphenol|2-HYDROXY-4-METHOXY-BENZOPHENON|4-Methoxy-2-hydroxybenzophenone|Advastab 45|Benzophenone 3|Benzophenone-3|BENZOPHENONE, 2-HYDROXY-4-METHOXY-|BENZOPHENONE, 3-|BRN 1913145|Chimassorb 90|Cyasorb UV 9|Cyasorb UV 9 Light Absorber|EINECS 205-031-5|Escalol 567|Eusolex 4360|Jeescreen Benzophenone 3|METHANONE, (2-HYDROXY-4-METHOXYPHENYL)PHENYL|Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-|NCI-C60957|Neo Heliopan BB|NSC 7778|NSC-7778|Ongrostab HMB|oxibenzona|Oxibenzonum|Oxybenzon|Oxybenzone|Oxybenzonum|Seesorb 101|Spectra-Sorb UV 9|Sumisorb 110|Sunscreen UV 15|Sunscreen UV-15|Tinosorb B 3|UNII-95OOS7VE0Y|Uvasorb MET/C|Uvinul 3040|Uvinul M 40|Viosorb 110|138464-23-0|14375-37-2|153859-73-5|2216794-47-5|58392-15-7|58392-22-6|897050-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022405 https://doi.org/10.22427/NTP-DATA-DTXSID3022405
ERPathway2016 ERPathway2016_264 2-Hydroxy-4-methoxybenzophenone 131-57-7 DTXSID3022405 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2-Hydroxy-4-methoxybenzophenone 131-57-7|2-Hydroxy-4-methoxybenzophenone|(2-Hydroxy-4-methoxyphenyl)phenyl methanone|(2-hydroxy-4-methoxyphenyl)phenylmethanone|2-Benzoyl-5-methoxyphenol|2-HYDROXY-4-METHOXY-BENZOPHENON|4-Methoxy-2-hydroxybenzophenone|Advastab 45|Benzophenone 3|Benzophenone-3|BENZOPHENONE, 2-HYDROXY-4-METHOXY-|BENZOPHENONE, 3-|BRN 1913145|Chimassorb 90|Cyasorb UV 9|Cyasorb UV 9 Light Absorber|EINECS 205-031-5|Escalol 567|Eusolex 4360|Jeescreen Benzophenone 3|METHANONE, (2-HYDROXY-4-METHOXYPHENYL)PHENYL|Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-|NCI-C60957|Neo Heliopan BB|NSC 7778|NSC-7778|Ongrostab HMB|oxibenzona|Oxibenzonum|Oxybenzon|Oxybenzone|Oxybenzonum|Seesorb 101|Spectra-Sorb UV 9|Sumisorb 110|Sunscreen UV 15|Sunscreen UV-15|Tinosorb B 3|UNII-95OOS7VE0Y|Uvasorb MET/C|Uvinul 3040|Uvinul M 40|Viosorb 110|138464-23-0|14375-37-2|153859-73-5|2216794-47-5|58392-15-7|58392-22-6|897050-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022405 https://doi.org/10.22427/NTP-DATA-DTXSID3022405
ERPathway2016 ERPathway2016_264 2-Hydroxy-4-methoxybenzophenone 131-57-7 DTXSID3022405 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2-Hydroxy-4-methoxybenzophenone 131-57-7|2-Hydroxy-4-methoxybenzophenone|(2-Hydroxy-4-methoxyphenyl)phenyl methanone|(2-hydroxy-4-methoxyphenyl)phenylmethanone|2-Benzoyl-5-methoxyphenol|2-HYDROXY-4-METHOXY-BENZOPHENON|4-Methoxy-2-hydroxybenzophenone|Advastab 45|Benzophenone 3|Benzophenone-3|BENZOPHENONE, 2-HYDROXY-4-METHOXY-|BENZOPHENONE, 3-|BRN 1913145|Chimassorb 90|Cyasorb UV 9|Cyasorb UV 9 Light Absorber|EINECS 205-031-5|Escalol 567|Eusolex 4360|Jeescreen Benzophenone 3|METHANONE, (2-HYDROXY-4-METHOXYPHENYL)PHENYL|Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-|NCI-C60957|Neo Heliopan BB|NSC 7778|NSC-7778|Ongrostab HMB|oxibenzona|Oxibenzonum|Oxybenzon|Oxybenzone|Oxybenzonum|Seesorb 101|Spectra-Sorb UV 9|Sumisorb 110|Sunscreen UV 15|Sunscreen UV-15|Tinosorb B 3|UNII-95OOS7VE0Y|Uvasorb MET/C|Uvinul 3040|Uvinul M 40|Viosorb 110|138464-23-0|14375-37-2|153859-73-5|2216794-47-5|58392-15-7|58392-22-6|897050-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022405 https://doi.org/10.22427/NTP-DATA-DTXSID3022405
ERPathway2016 ERPathway2016_264 2-Hydroxy-4-methoxybenzophenone 131-57-7 DTXSID3022405 ER Pathway Model, Antagonist Call Active Unitless COC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 2-Hydroxy-4-methoxybenzophenone 131-57-7|2-Hydroxy-4-methoxybenzophenone|(2-Hydroxy-4-methoxyphenyl)phenyl methanone|(2-hydroxy-4-methoxyphenyl)phenylmethanone|2-Benzoyl-5-methoxyphenol|2-HYDROXY-4-METHOXY-BENZOPHENON|4-Methoxy-2-hydroxybenzophenone|Advastab 45|Benzophenone 3|Benzophenone-3|BENZOPHENONE, 2-HYDROXY-4-METHOXY-|BENZOPHENONE, 3-|BRN 1913145|Chimassorb 90|Cyasorb UV 9|Cyasorb UV 9 Light Absorber|EINECS 205-031-5|Escalol 567|Eusolex 4360|Jeescreen Benzophenone 3|METHANONE, (2-HYDROXY-4-METHOXYPHENYL)PHENYL|Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-|NCI-C60957|Neo Heliopan BB|NSC 7778|NSC-7778|Ongrostab HMB|oxibenzona|Oxibenzonum|Oxybenzon|Oxybenzone|Oxybenzonum|Seesorb 101|Spectra-Sorb UV 9|Sumisorb 110|Sunscreen UV 15|Sunscreen UV-15|Tinosorb B 3|UNII-95OOS7VE0Y|Uvasorb MET/C|Uvinul 3040|Uvinul M 40|Viosorb 110|138464-23-0|14375-37-2|153859-73-5|2216794-47-5|58392-15-7|58392-22-6|897050-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022405 https://doi.org/10.22427/NTP-DATA-DTXSID3022405
ARPathway2016 ARPathway2016_653 2-Hydroxyacetophenone 118-93-4 DTXSID7040285 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C1=CC=CC=C1O 2-Hydroxyacetophenone 118-93-4|2-Hydroxyacetophenone|1-(2-Hydroxyphenyl)ethanone|1-(6-Hydroxyphenyl)ethanone|2-ACETYLPHENOL|2-Hydroxyphenyl methyl ketone|2-Hydroxyphenylethanone|2'-hidroxiacetofenona|2'-Hydroxyacetophenon|2'-Hydroxyacetophenone|4-08-00-00320|ACETOPHENONE, 2-HYDROXY-|Acetophenone, 2'-hydroxy-|Acetophenone, o-hydroxy-|BRN 0386123|EINECS 204-288-0|Ethanone, 1-(2-hydroxyphenyl)-|FEMA No. 3548|Methyl 2-hydroxyphenyl ketone|NSC 16933|NSC 44452|NSC 83568|NSC 9263|o-Acetylphenol|O-HYDROXY-ACETOPHENON|O-HYDROXYACETOPHENONE|o-Hydroxyhypnone|o-Hydroxyphenyl methyl ketone|UNII-3E533Z76W0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040285
ARPathway2016 ARPathway2016_653 2-Hydroxyacetophenone 118-93-4 DTXSID7040285 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)C1=CC=CC=C1O 2-Hydroxyacetophenone 118-93-4|2-Hydroxyacetophenone|1-(2-Hydroxyphenyl)ethanone|1-(6-Hydroxyphenyl)ethanone|2-ACETYLPHENOL|2-Hydroxyphenyl methyl ketone|2-Hydroxyphenylethanone|2'-hidroxiacetofenona|2'-Hydroxyacetophenon|2'-Hydroxyacetophenone|4-08-00-00320|ACETOPHENONE, 2-HYDROXY-|Acetophenone, 2'-hydroxy-|Acetophenone, o-hydroxy-|BRN 0386123|EINECS 204-288-0|Ethanone, 1-(2-hydroxyphenyl)-|FEMA No. 3548|Methyl 2-hydroxyphenyl ketone|NSC 16933|NSC 44452|NSC 83568|NSC 9263|o-Acetylphenol|O-HYDROXY-ACETOPHENON|O-HYDROXYACETOPHENONE|o-Hydroxyhypnone|o-Hydroxyphenyl methyl ketone|UNII-3E533Z76W0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040285
ARPathway2016 ARPathway2016_653 2-Hydroxyacetophenone 118-93-4 DTXSID7040285 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)C1=CC=CC=C1O 2-Hydroxyacetophenone 118-93-4|2-Hydroxyacetophenone|1-(2-Hydroxyphenyl)ethanone|1-(6-Hydroxyphenyl)ethanone|2-ACETYLPHENOL|2-Hydroxyphenyl methyl ketone|2-Hydroxyphenylethanone|2'-hidroxiacetofenona|2'-Hydroxyacetophenon|2'-Hydroxyacetophenone|4-08-00-00320|ACETOPHENONE, 2-HYDROXY-|Acetophenone, 2'-hydroxy-|Acetophenone, o-hydroxy-|BRN 0386123|EINECS 204-288-0|Ethanone, 1-(2-hydroxyphenyl)-|FEMA No. 3548|Methyl 2-hydroxyphenyl ketone|NSC 16933|NSC 44452|NSC 83568|NSC 9263|o-Acetylphenol|O-HYDROXY-ACETOPHENON|O-HYDROXYACETOPHENONE|o-Hydroxyhypnone|o-Hydroxyphenyl methyl ketone|UNII-3E533Z76W0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040285
ARPathway2016 ARPathway2016_653 2-Hydroxyacetophenone 118-93-4 DTXSID7040285 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)C1=CC=CC=C1O 2-Hydroxyacetophenone 118-93-4|2-Hydroxyacetophenone|1-(2-Hydroxyphenyl)ethanone|1-(6-Hydroxyphenyl)ethanone|2-ACETYLPHENOL|2-Hydroxyphenyl methyl ketone|2-Hydroxyphenylethanone|2'-hidroxiacetofenona|2'-Hydroxyacetophenon|2'-Hydroxyacetophenone|4-08-00-00320|ACETOPHENONE, 2-HYDROXY-|Acetophenone, 2'-hydroxy-|Acetophenone, o-hydroxy-|BRN 0386123|EINECS 204-288-0|Ethanone, 1-(2-hydroxyphenyl)-|FEMA No. 3548|Methyl 2-hydroxyphenyl ketone|NSC 16933|NSC 44452|NSC 83568|NSC 9263|o-Acetylphenol|O-HYDROXY-ACETOPHENON|O-HYDROXYACETOPHENONE|o-Hydroxyhypnone|o-Hydroxyphenyl methyl ketone|UNII-3E533Z76W0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040285
ERPathway2016 ERPathway2016_1200 2-Hydroxyacetophenone 118-93-4 DTXSID7040285 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)C1=CC=CC=C1O 2-Hydroxyacetophenone 118-93-4|2-Hydroxyacetophenone|1-(2-Hydroxyphenyl)ethanone|1-(6-Hydroxyphenyl)ethanone|2-ACETYLPHENOL|2-Hydroxyphenyl methyl ketone|2-Hydroxyphenylethanone|2'-hidroxiacetofenona|2'-Hydroxyacetophenon|2'-Hydroxyacetophenone|4-08-00-00320|ACETOPHENONE, 2-HYDROXY-|Acetophenone, 2'-hydroxy-|Acetophenone, o-hydroxy-|BRN 0386123|EINECS 204-288-0|Ethanone, 1-(2-hydroxyphenyl)-|FEMA No. 3548|Methyl 2-hydroxyphenyl ketone|NSC 16933|NSC 44452|NSC 83568|NSC 9263|o-Acetylphenol|O-HYDROXY-ACETOPHENON|O-HYDROXYACETOPHENONE|o-Hydroxyhypnone|o-Hydroxyphenyl methyl ketone|UNII-3E533Z76W0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040285
ERPathway2016 ERPathway2016_1200 2-Hydroxyacetophenone 118-93-4 DTXSID7040285 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C1=CC=CC=C1O 2-Hydroxyacetophenone 118-93-4|2-Hydroxyacetophenone|1-(2-Hydroxyphenyl)ethanone|1-(6-Hydroxyphenyl)ethanone|2-ACETYLPHENOL|2-Hydroxyphenyl methyl ketone|2-Hydroxyphenylethanone|2'-hidroxiacetofenona|2'-Hydroxyacetophenon|2'-Hydroxyacetophenone|4-08-00-00320|ACETOPHENONE, 2-HYDROXY-|Acetophenone, 2'-hydroxy-|Acetophenone, o-hydroxy-|BRN 0386123|EINECS 204-288-0|Ethanone, 1-(2-hydroxyphenyl)-|FEMA No. 3548|Methyl 2-hydroxyphenyl ketone|NSC 16933|NSC 44452|NSC 83568|NSC 9263|o-Acetylphenol|O-HYDROXY-ACETOPHENON|O-HYDROXYACETOPHENONE|o-Hydroxyhypnone|o-Hydroxyphenyl methyl ketone|UNII-3E533Z76W0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040285
ERPathway2016 ERPathway2016_1200 2-Hydroxyacetophenone 118-93-4 DTXSID7040285 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)C1=CC=CC=C1O 2-Hydroxyacetophenone 118-93-4|2-Hydroxyacetophenone|1-(2-Hydroxyphenyl)ethanone|1-(6-Hydroxyphenyl)ethanone|2-ACETYLPHENOL|2-Hydroxyphenyl methyl ketone|2-Hydroxyphenylethanone|2'-hidroxiacetofenona|2'-Hydroxyacetophenon|2'-Hydroxyacetophenone|4-08-00-00320|ACETOPHENONE, 2-HYDROXY-|Acetophenone, 2'-hydroxy-|Acetophenone, o-hydroxy-|BRN 0386123|EINECS 204-288-0|Ethanone, 1-(2-hydroxyphenyl)-|FEMA No. 3548|Methyl 2-hydroxyphenyl ketone|NSC 16933|NSC 44452|NSC 83568|NSC 9263|o-Acetylphenol|O-HYDROXY-ACETOPHENON|O-HYDROXYACETOPHENONE|o-Hydroxyhypnone|o-Hydroxyphenyl methyl ketone|UNII-3E533Z76W0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040285
ERPathway2016 ERPathway2016_1200 2-Hydroxyacetophenone 118-93-4 DTXSID7040285 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)C1=CC=CC=C1O 2-Hydroxyacetophenone 118-93-4|2-Hydroxyacetophenone|1-(2-Hydroxyphenyl)ethanone|1-(6-Hydroxyphenyl)ethanone|2-ACETYLPHENOL|2-Hydroxyphenyl methyl ketone|2-Hydroxyphenylethanone|2'-hidroxiacetofenona|2'-Hydroxyacetophenon|2'-Hydroxyacetophenone|4-08-00-00320|ACETOPHENONE, 2-HYDROXY-|Acetophenone, 2'-hydroxy-|Acetophenone, o-hydroxy-|BRN 0386123|EINECS 204-288-0|Ethanone, 1-(2-hydroxyphenyl)-|FEMA No. 3548|Methyl 2-hydroxyphenyl ketone|NSC 16933|NSC 44452|NSC 83568|NSC 9263|o-Acetylphenol|O-HYDROXY-ACETOPHENON|O-HYDROXYACETOPHENONE|o-Hydroxyhypnone|o-Hydroxyphenyl methyl ketone|UNII-3E533Z76W0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040285
ARPathway2016 ARPathway2016_377 2-Hydroxybenzonitrile 611-20-1 DTXSID3041661 1.0 R5 AR Pathway Model, Antagonist ACC 51.24197205 uM OC1=C(C=CC=C1)C#N 2-Hydroxybenzonitrile 611-20-1|2-Hydroxybenzonitrile|2-Cyanophenol|Benzonitrile, 2-hydroxy-|Benzonitrile, o-hydroxy-|EINECS 210-259-3|NSC 53558|o-Cyanophenol|o-Hydoxybenzonitrile|o-Hydroxybenzonitrile|Salicylnitrile|UNII-51RSM8K1VZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041661
ARPathway2016 ARPathway2016_377 2-Hydroxybenzonitrile 611-20-1 DTXSID3041661 1.0 R5 AR Pathway Model, Antagonist AC50 47.93966757 uM OC1=C(C=CC=C1)C#N 2-Hydroxybenzonitrile 611-20-1|2-Hydroxybenzonitrile|2-Cyanophenol|Benzonitrile, 2-hydroxy-|Benzonitrile, o-hydroxy-|EINECS 210-259-3|NSC 53558|o-Cyanophenol|o-Hydoxybenzonitrile|o-Hydroxybenzonitrile|Salicylnitrile|UNII-51RSM8K1VZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041661
ARPathway2016 ARPathway2016_377 2-Hydroxybenzonitrile 611-20-1 DTXSID3041661 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=C(C=CC=C1)C#N 2-Hydroxybenzonitrile 611-20-1|2-Hydroxybenzonitrile|2-Cyanophenol|Benzonitrile, 2-hydroxy-|Benzonitrile, o-hydroxy-|EINECS 210-259-3|NSC 53558|o-Cyanophenol|o-Hydoxybenzonitrile|o-Hydroxybenzonitrile|Salicylnitrile|UNII-51RSM8K1VZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041661
ARPathway2016 ARPathway2016_377 2-Hydroxybenzonitrile 611-20-1 DTXSID3041661 1.0 R5 AR Pathway Model, Agonist Model Score 0.0156 Unitless OC1=C(C=CC=C1)C#N 2-Hydroxybenzonitrile 611-20-1|2-Hydroxybenzonitrile|2-Cyanophenol|Benzonitrile, 2-hydroxy-|Benzonitrile, o-hydroxy-|EINECS 210-259-3|NSC 53558|o-Cyanophenol|o-Hydoxybenzonitrile|o-Hydroxybenzonitrile|Salicylnitrile|UNII-51RSM8K1VZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041661
ARPathway2016 ARPathway2016_377 2-Hydroxybenzonitrile 611-20-1 DTXSID3041661 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless OC1=C(C=CC=C1)C#N 2-Hydroxybenzonitrile 611-20-1|2-Hydroxybenzonitrile|2-Cyanophenol|Benzonitrile, 2-hydroxy-|Benzonitrile, o-hydroxy-|EINECS 210-259-3|NSC 53558|o-Cyanophenol|o-Hydoxybenzonitrile|o-Hydroxybenzonitrile|Salicylnitrile|UNII-51RSM8K1VZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041661
ARPathway2016 ARPathway2016_377 2-Hydroxybenzonitrile 611-20-1 DTXSID3041661 1.0 R5 AR Pathway Model, Antagonist Call Active Unitless OC1=C(C=CC=C1)C#N 2-Hydroxybenzonitrile 611-20-1|2-Hydroxybenzonitrile|2-Cyanophenol|Benzonitrile, 2-hydroxy-|Benzonitrile, o-hydroxy-|EINECS 210-259-3|NSC 53558|o-Cyanophenol|o-Hydoxybenzonitrile|o-Hydroxybenzonitrile|Salicylnitrile|UNII-51RSM8K1VZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041661
ERPathway2016 ERPathway2016_1573 2-Hydroxybenzonitrile 611-20-1 DTXSID3041661 ER Pathway Model, Agonist Model Score 0 Unitless OC1=C(C=CC=C1)C#N 2-Hydroxybenzonitrile 611-20-1|2-Hydroxybenzonitrile|2-Cyanophenol|Benzonitrile, 2-hydroxy-|Benzonitrile, o-hydroxy-|EINECS 210-259-3|NSC 53558|o-Cyanophenol|o-Hydoxybenzonitrile|o-Hydroxybenzonitrile|Salicylnitrile|UNII-51RSM8K1VZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041661
ERPathway2016 ERPathway2016_1573 2-Hydroxybenzonitrile 611-20-1 DTXSID3041661 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C(C=CC=C1)C#N 2-Hydroxybenzonitrile 611-20-1|2-Hydroxybenzonitrile|2-Cyanophenol|Benzonitrile, 2-hydroxy-|Benzonitrile, o-hydroxy-|EINECS 210-259-3|NSC 53558|o-Cyanophenol|o-Hydoxybenzonitrile|o-Hydroxybenzonitrile|Salicylnitrile|UNII-51RSM8K1VZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041661
ERPathway2016 ERPathway2016_1573 2-Hydroxybenzonitrile 611-20-1 DTXSID3041661 ER Pathway Model, Agonist Call Inactive Unitless OC1=C(C=CC=C1)C#N 2-Hydroxybenzonitrile 611-20-1|2-Hydroxybenzonitrile|2-Cyanophenol|Benzonitrile, 2-hydroxy-|Benzonitrile, o-hydroxy-|EINECS 210-259-3|NSC 53558|o-Cyanophenol|o-Hydoxybenzonitrile|o-Hydroxybenzonitrile|Salicylnitrile|UNII-51RSM8K1VZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041661
ERPathway2016 ERPathway2016_1573 2-Hydroxybenzonitrile 611-20-1 DTXSID3041661 ER Pathway Model, Antagonist Call Inactive Unitless OC1=C(C=CC=C1)C#N 2-Hydroxybenzonitrile 611-20-1|2-Hydroxybenzonitrile|2-Cyanophenol|Benzonitrile, 2-hydroxy-|Benzonitrile, o-hydroxy-|EINECS 210-259-3|NSC 53558|o-Cyanophenol|o-Hydoxybenzonitrile|o-Hydroxybenzonitrile|Salicylnitrile|UNII-51RSM8K1VZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041661
ARPathway2016 ARPathway2016_642 2-Hydroxybenzophenone 117-99-7 DTXSID5047879 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=CC=C1C(=O)C1=CC=CC=C1 2-Hydroxybenzophenone 117-99-7|2-Hydroxybenzophenone|EINECS 204-226-2|NSC 623|o-Benzoylphenol|o-Hydroxybenzophenone|Phenyl 2-Hydroxyphenyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047879
ARPathway2016 ARPathway2016_642 2-Hydroxybenzophenone 117-99-7 DTXSID5047879 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=CC=C1C(=O)C1=CC=CC=C1 2-Hydroxybenzophenone 117-99-7|2-Hydroxybenzophenone|EINECS 204-226-2|NSC 623|o-Benzoylphenol|o-Hydroxybenzophenone|Phenyl 2-Hydroxyphenyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047879
ARPathway2016 ARPathway2016_642 2-Hydroxybenzophenone 117-99-7 DTXSID5047879 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC=CC=C1C(=O)C1=CC=CC=C1 2-Hydroxybenzophenone 117-99-7|2-Hydroxybenzophenone|EINECS 204-226-2|NSC 623|o-Benzoylphenol|o-Hydroxybenzophenone|Phenyl 2-Hydroxyphenyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047879
ARPathway2016 ARPathway2016_642 2-Hydroxybenzophenone 117-99-7 DTXSID5047879 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=CC=C1C(=O)C1=CC=CC=C1 2-Hydroxybenzophenone 117-99-7|2-Hydroxybenzophenone|EINECS 204-226-2|NSC 623|o-Benzoylphenol|o-Hydroxybenzophenone|Phenyl 2-Hydroxyphenyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047879
ERPathway2016 ERPathway2016_363 2-Hydroxybenzophenone 117-99-7 DTXSID5047879 ER Pathway Model, Antagonist AC50 28.3151408617917 uM OC1=CC=CC=C1C(=O)C1=CC=CC=C1 2-Hydroxybenzophenone 117-99-7|2-Hydroxybenzophenone|EINECS 204-226-2|NSC 623|o-Benzoylphenol|o-Hydroxybenzophenone|Phenyl 2-Hydroxyphenyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047879
ERPathway2016 ERPathway2016_363 2-Hydroxybenzophenone 117-99-7 DTXSID5047879 ER Pathway Model, Antagonist ACC 20.0356810710306 uM OC1=CC=CC=C1C(=O)C1=CC=CC=C1 2-Hydroxybenzophenone 117-99-7|2-Hydroxybenzophenone|EINECS 204-226-2|NSC 623|o-Benzoylphenol|o-Hydroxybenzophenone|Phenyl 2-Hydroxyphenyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047879
ERPathway2016 ERPathway2016_363 2-Hydroxybenzophenone 117-99-7 DTXSID5047879 ER Pathway Model, Agonist Model Score 0.0157 Unitless OC1=CC=CC=C1C(=O)C1=CC=CC=C1 2-Hydroxybenzophenone 117-99-7|2-Hydroxybenzophenone|EINECS 204-226-2|NSC 623|o-Benzoylphenol|o-Hydroxybenzophenone|Phenyl 2-Hydroxyphenyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047879
ERPathway2016 ERPathway2016_363 2-Hydroxybenzophenone 117-99-7 DTXSID5047879 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=CC=C1C(=O)C1=CC=CC=C1 2-Hydroxybenzophenone 117-99-7|2-Hydroxybenzophenone|EINECS 204-226-2|NSC 623|o-Benzoylphenol|o-Hydroxybenzophenone|Phenyl 2-Hydroxyphenyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047879
ERPathway2016 ERPathway2016_363 2-Hydroxybenzophenone 117-99-7 DTXSID5047879 ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=CC=C1C(=O)C1=CC=CC=C1 2-Hydroxybenzophenone 117-99-7|2-Hydroxybenzophenone|EINECS 204-226-2|NSC 623|o-Benzoylphenol|o-Hydroxybenzophenone|Phenyl 2-Hydroxyphenyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047879
ERPathway2016 ERPathway2016_363 2-Hydroxybenzophenone 117-99-7 DTXSID5047879 ER Pathway Model, Antagonist Call Active Unitless OC1=CC=CC=C1C(=O)C1=CC=CC=C1 2-Hydroxybenzophenone 117-99-7|2-Hydroxybenzophenone|EINECS 204-226-2|NSC 623|o-Benzoylphenol|o-Hydroxybenzophenone|Phenyl 2-Hydroxyphenyl ketone https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047879
ARPathway2016 ARPathway2016_1617 2-Hydroxyethyl acrylate 818-61-1 DTXSID2022123 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCCOC(=O)C=C 2-Hydroxyethyl acrylate 818-61-1|2-Hydroxyethyl acrylate|2-(Acryloyloxy)ethanol|2-Hydroxyethyl 2-propenoate|2-Hydroxyethyl ester propenoic acid|2-Hydroxyethylacrylat|2-Hydroxyethylester kyseliny akrylove|2-PROPANOIC ACID, 2-HYDROXYETHYL ESTER|2-Propenoic acid, 2-hydroxyethyl ester|212-454-9|acrilato de 2-hidroxietilo|Acryics HEA|Acrylate de 2-hydroxyethyle|Acrylic acid 2-hydroxyethyl ester|Acrylic acid, 2-hydroxyethyl ester|ACRYLSAEURE-(2-HYDROXYAETHYL)-ESTER|Bisomer 2HEA|BRN 0969853|EC No.: 212-454-9|EINECS 212-454-9|Ethylene glycol monoacrylate|Ethylene glycol, acrylate|Ethylene glycol, monoacrylate|Hydroxyethyl acrylate|Light Ester HOA|Light Ester OA|Perm A (monomer)|PROP-2-ENOATE, 2-HYDROXYETHYL|UNII-25GT92NY0C|Viscoat 220|b-Hydroxyethyl acrylate|139642-59-4|1637456-67-7|77210-89-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022123
ARPathway2016 ARPathway2016_1617 2-Hydroxyethyl acrylate 818-61-1 DTXSID2022123 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCCOC(=O)C=C 2-Hydroxyethyl acrylate 818-61-1|2-Hydroxyethyl acrylate|2-(Acryloyloxy)ethanol|2-Hydroxyethyl 2-propenoate|2-Hydroxyethyl ester propenoic acid|2-Hydroxyethylacrylat|2-Hydroxyethylester kyseliny akrylove|2-PROPANOIC ACID, 2-HYDROXYETHYL ESTER|2-Propenoic acid, 2-hydroxyethyl ester|212-454-9|acrilato de 2-hidroxietilo|Acryics HEA|Acrylate de 2-hydroxyethyle|Acrylic acid 2-hydroxyethyl ester|Acrylic acid, 2-hydroxyethyl ester|ACRYLSAEURE-(2-HYDROXYAETHYL)-ESTER|Bisomer 2HEA|BRN 0969853|EC No.: 212-454-9|EINECS 212-454-9|Ethylene glycol monoacrylate|Ethylene glycol, acrylate|Ethylene glycol, monoacrylate|Hydroxyethyl acrylate|Light Ester HOA|Light Ester OA|Perm A (monomer)|PROP-2-ENOATE, 2-HYDROXYETHYL|UNII-25GT92NY0C|Viscoat 220|b-Hydroxyethyl acrylate|139642-59-4|1637456-67-7|77210-89-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022123
ARPathway2016 ARPathway2016_1617 2-Hydroxyethyl acrylate 818-61-1 DTXSID2022123 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCCOC(=O)C=C 2-Hydroxyethyl acrylate 818-61-1|2-Hydroxyethyl acrylate|2-(Acryloyloxy)ethanol|2-Hydroxyethyl 2-propenoate|2-Hydroxyethyl ester propenoic acid|2-Hydroxyethylacrylat|2-Hydroxyethylester kyseliny akrylove|2-PROPANOIC ACID, 2-HYDROXYETHYL ESTER|2-Propenoic acid, 2-hydroxyethyl ester|212-454-9|acrilato de 2-hidroxietilo|Acryics HEA|Acrylate de 2-hydroxyethyle|Acrylic acid 2-hydroxyethyl ester|Acrylic acid, 2-hydroxyethyl ester|ACRYLSAEURE-(2-HYDROXYAETHYL)-ESTER|Bisomer 2HEA|BRN 0969853|EC No.: 212-454-9|EINECS 212-454-9|Ethylene glycol monoacrylate|Ethylene glycol, acrylate|Ethylene glycol, monoacrylate|Hydroxyethyl acrylate|Light Ester HOA|Light Ester OA|Perm A (monomer)|PROP-2-ENOATE, 2-HYDROXYETHYL|UNII-25GT92NY0C|Viscoat 220|b-Hydroxyethyl acrylate|139642-59-4|1637456-67-7|77210-89-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022123
ARPathway2016 ARPathway2016_1617 2-Hydroxyethyl acrylate 818-61-1 DTXSID2022123 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCCOC(=O)C=C 2-Hydroxyethyl acrylate 818-61-1|2-Hydroxyethyl acrylate|2-(Acryloyloxy)ethanol|2-Hydroxyethyl 2-propenoate|2-Hydroxyethyl ester propenoic acid|2-Hydroxyethylacrylat|2-Hydroxyethylester kyseliny akrylove|2-PROPANOIC ACID, 2-HYDROXYETHYL ESTER|2-Propenoic acid, 2-hydroxyethyl ester|212-454-9|acrilato de 2-hidroxietilo|Acryics HEA|Acrylate de 2-hydroxyethyle|Acrylic acid 2-hydroxyethyl ester|Acrylic acid, 2-hydroxyethyl ester|ACRYLSAEURE-(2-HYDROXYAETHYL)-ESTER|Bisomer 2HEA|BRN 0969853|EC No.: 212-454-9|EINECS 212-454-9|Ethylene glycol monoacrylate|Ethylene glycol, acrylate|Ethylene glycol, monoacrylate|Hydroxyethyl acrylate|Light Ester HOA|Light Ester OA|Perm A (monomer)|PROP-2-ENOATE, 2-HYDROXYETHYL|UNII-25GT92NY0C|Viscoat 220|b-Hydroxyethyl acrylate|139642-59-4|1637456-67-7|77210-89-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022123
ERPathway2016 ERPathway2016_892 2-Hydroxyethyl acrylate 818-61-1 DTXSID2022123 ER Pathway Model, Agonist Model Score 0 Unitless OCCOC(=O)C=C 2-Hydroxyethyl acrylate 818-61-1|2-Hydroxyethyl acrylate|2-(Acryloyloxy)ethanol|2-Hydroxyethyl 2-propenoate|2-Hydroxyethyl ester propenoic acid|2-Hydroxyethylacrylat|2-Hydroxyethylester kyseliny akrylove|2-PROPANOIC ACID, 2-HYDROXYETHYL ESTER|2-Propenoic acid, 2-hydroxyethyl ester|212-454-9|acrilato de 2-hidroxietilo|Acryics HEA|Acrylate de 2-hydroxyethyle|Acrylic acid 2-hydroxyethyl ester|Acrylic acid, 2-hydroxyethyl ester|ACRYLSAEURE-(2-HYDROXYAETHYL)-ESTER|Bisomer 2HEA|BRN 0969853|EC No.: 212-454-9|EINECS 212-454-9|Ethylene glycol monoacrylate|Ethylene glycol, acrylate|Ethylene glycol, monoacrylate|Hydroxyethyl acrylate|Light Ester HOA|Light Ester OA|Perm A (monomer)|PROP-2-ENOATE, 2-HYDROXYETHYL|UNII-25GT92NY0C|Viscoat 220|b-Hydroxyethyl acrylate|139642-59-4|1637456-67-7|77210-89-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022123
ERPathway2016 ERPathway2016_892 2-Hydroxyethyl acrylate 818-61-1 DTXSID2022123 ER Pathway Model, Antagonist Model Score 0 Unitless OCCOC(=O)C=C 2-Hydroxyethyl acrylate 818-61-1|2-Hydroxyethyl acrylate|2-(Acryloyloxy)ethanol|2-Hydroxyethyl 2-propenoate|2-Hydroxyethyl ester propenoic acid|2-Hydroxyethylacrylat|2-Hydroxyethylester kyseliny akrylove|2-PROPANOIC ACID, 2-HYDROXYETHYL ESTER|2-Propenoic acid, 2-hydroxyethyl ester|212-454-9|acrilato de 2-hidroxietilo|Acryics HEA|Acrylate de 2-hydroxyethyle|Acrylic acid 2-hydroxyethyl ester|Acrylic acid, 2-hydroxyethyl ester|ACRYLSAEURE-(2-HYDROXYAETHYL)-ESTER|Bisomer 2HEA|BRN 0969853|EC No.: 212-454-9|EINECS 212-454-9|Ethylene glycol monoacrylate|Ethylene glycol, acrylate|Ethylene glycol, monoacrylate|Hydroxyethyl acrylate|Light Ester HOA|Light Ester OA|Perm A (monomer)|PROP-2-ENOATE, 2-HYDROXYETHYL|UNII-25GT92NY0C|Viscoat 220|b-Hydroxyethyl acrylate|139642-59-4|1637456-67-7|77210-89-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022123
ERPathway2016 ERPathway2016_892 2-Hydroxyethyl acrylate 818-61-1 DTXSID2022123 ER Pathway Model, Agonist Call Inactive Unitless OCCOC(=O)C=C 2-Hydroxyethyl acrylate 818-61-1|2-Hydroxyethyl acrylate|2-(Acryloyloxy)ethanol|2-Hydroxyethyl 2-propenoate|2-Hydroxyethyl ester propenoic acid|2-Hydroxyethylacrylat|2-Hydroxyethylester kyseliny akrylove|2-PROPANOIC ACID, 2-HYDROXYETHYL ESTER|2-Propenoic acid, 2-hydroxyethyl ester|212-454-9|acrilato de 2-hidroxietilo|Acryics HEA|Acrylate de 2-hydroxyethyle|Acrylic acid 2-hydroxyethyl ester|Acrylic acid, 2-hydroxyethyl ester|ACRYLSAEURE-(2-HYDROXYAETHYL)-ESTER|Bisomer 2HEA|BRN 0969853|EC No.: 212-454-9|EINECS 212-454-9|Ethylene glycol monoacrylate|Ethylene glycol, acrylate|Ethylene glycol, monoacrylate|Hydroxyethyl acrylate|Light Ester HOA|Light Ester OA|Perm A (monomer)|PROP-2-ENOATE, 2-HYDROXYETHYL|UNII-25GT92NY0C|Viscoat 220|b-Hydroxyethyl acrylate|139642-59-4|1637456-67-7|77210-89-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022123
ERPathway2016 ERPathway2016_892 2-Hydroxyethyl acrylate 818-61-1 DTXSID2022123 ER Pathway Model, Antagonist Call Inactive Unitless OCCOC(=O)C=C 2-Hydroxyethyl acrylate 818-61-1|2-Hydroxyethyl acrylate|2-(Acryloyloxy)ethanol|2-Hydroxyethyl 2-propenoate|2-Hydroxyethyl ester propenoic acid|2-Hydroxyethylacrylat|2-Hydroxyethylester kyseliny akrylove|2-PROPANOIC ACID, 2-HYDROXYETHYL ESTER|2-Propenoic acid, 2-hydroxyethyl ester|212-454-9|acrilato de 2-hidroxietilo|Acryics HEA|Acrylate de 2-hydroxyethyle|Acrylic acid 2-hydroxyethyl ester|Acrylic acid, 2-hydroxyethyl ester|ACRYLSAEURE-(2-HYDROXYAETHYL)-ESTER|Bisomer 2HEA|BRN 0969853|EC No.: 212-454-9|EINECS 212-454-9|Ethylene glycol monoacrylate|Ethylene glycol, acrylate|Ethylene glycol, monoacrylate|Hydroxyethyl acrylate|Light Ester HOA|Light Ester OA|Perm A (monomer)|PROP-2-ENOATE, 2-HYDROXYETHYL|UNII-25GT92NY0C|Viscoat 220|b-Hydroxyethyl acrylate|139642-59-4|1637456-67-7|77210-89-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022123
ARPathway2016 ARPathway2016_1167 2-Hydroxyethyl octyl sulfide 3547-33-9 DTXSID6032516 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCSCCO 2-Hydroxyethyl octyl sulfide 3547-33-9|2-Hydroxyethyl octyl sulfide|(2-HYDROXYAETHYL)-OCTYL-SULFID|2-(octiltio)etanol|2-(octylsulfanyl)ethan-1-ol|2-(octylsulfanyl)ethanol|2-(Octylthio)ethanol|2-(Oktylthio)ethanol|2-Hydroxyethyl n-octyl sulfide|2-Hydroxyethyl octyl sulphide|2-Hydroxyethyl-n-octyl sulfide|BRN 1698968|Caswell No. 489B|EINECS 222-598-4|EPA Pesticide Chemical Code 046301|Ethanol, 2-(octylthio)-|MGK Repellent 874|MGK repellent R-874|NSC 163967|r-874 Phillips|UNII-3G5X52121W https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032516
ARPathway2016 ARPathway2016_1167 2-Hydroxyethyl octyl sulfide 3547-33-9 DTXSID6032516 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCSCCO 2-Hydroxyethyl octyl sulfide 3547-33-9|2-Hydroxyethyl octyl sulfide|(2-HYDROXYAETHYL)-OCTYL-SULFID|2-(octiltio)etanol|2-(octylsulfanyl)ethan-1-ol|2-(octylsulfanyl)ethanol|2-(Octylthio)ethanol|2-(Oktylthio)ethanol|2-Hydroxyethyl n-octyl sulfide|2-Hydroxyethyl octyl sulphide|2-Hydroxyethyl-n-octyl sulfide|BRN 1698968|Caswell No. 489B|EINECS 222-598-4|EPA Pesticide Chemical Code 046301|Ethanol, 2-(octylthio)-|MGK Repellent 874|MGK repellent R-874|NSC 163967|r-874 Phillips|UNII-3G5X52121W https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032516
ARPathway2016 ARPathway2016_1167 2-Hydroxyethyl octyl sulfide 3547-33-9 DTXSID6032516 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCSCCO 2-Hydroxyethyl octyl sulfide 3547-33-9|2-Hydroxyethyl octyl sulfide|(2-HYDROXYAETHYL)-OCTYL-SULFID|2-(octiltio)etanol|2-(octylsulfanyl)ethan-1-ol|2-(octylsulfanyl)ethanol|2-(Octylthio)ethanol|2-(Oktylthio)ethanol|2-Hydroxyethyl n-octyl sulfide|2-Hydroxyethyl octyl sulphide|2-Hydroxyethyl-n-octyl sulfide|BRN 1698968|Caswell No. 489B|EINECS 222-598-4|EPA Pesticide Chemical Code 046301|Ethanol, 2-(octylthio)-|MGK Repellent 874|MGK repellent R-874|NSC 163967|r-874 Phillips|UNII-3G5X52121W https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032516
ARPathway2016 ARPathway2016_1167 2-Hydroxyethyl octyl sulfide 3547-33-9 DTXSID6032516 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCSCCO 2-Hydroxyethyl octyl sulfide 3547-33-9|2-Hydroxyethyl octyl sulfide|(2-HYDROXYAETHYL)-OCTYL-SULFID|2-(octiltio)etanol|2-(octylsulfanyl)ethan-1-ol|2-(octylsulfanyl)ethanol|2-(Octylthio)ethanol|2-(Oktylthio)ethanol|2-Hydroxyethyl n-octyl sulfide|2-Hydroxyethyl octyl sulphide|2-Hydroxyethyl-n-octyl sulfide|BRN 1698968|Caswell No. 489B|EINECS 222-598-4|EPA Pesticide Chemical Code 046301|Ethanol, 2-(octylthio)-|MGK Repellent 874|MGK repellent R-874|NSC 163967|r-874 Phillips|UNII-3G5X52121W https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032516
ERPathway2016 ERPathway2016_1464 2-Hydroxyethyl octyl sulfide 3547-33-9 DTXSID6032516 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCSCCO 2-Hydroxyethyl octyl sulfide 3547-33-9|2-Hydroxyethyl octyl sulfide|(2-HYDROXYAETHYL)-OCTYL-SULFID|2-(octiltio)etanol|2-(octylsulfanyl)ethan-1-ol|2-(octylsulfanyl)ethanol|2-(Octylthio)ethanol|2-(Oktylthio)ethanol|2-Hydroxyethyl n-octyl sulfide|2-Hydroxyethyl octyl sulphide|2-Hydroxyethyl-n-octyl sulfide|BRN 1698968|Caswell No. 489B|EINECS 222-598-4|EPA Pesticide Chemical Code 046301|Ethanol, 2-(octylthio)-|MGK Repellent 874|MGK repellent R-874|NSC 163967|r-874 Phillips|UNII-3G5X52121W https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032516
ERPathway2016 ERPathway2016_1464 2-Hydroxyethyl octyl sulfide 3547-33-9 DTXSID6032516 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCSCCO 2-Hydroxyethyl octyl sulfide 3547-33-9|2-Hydroxyethyl octyl sulfide|(2-HYDROXYAETHYL)-OCTYL-SULFID|2-(octiltio)etanol|2-(octylsulfanyl)ethan-1-ol|2-(octylsulfanyl)ethanol|2-(Octylthio)ethanol|2-(Oktylthio)ethanol|2-Hydroxyethyl n-octyl sulfide|2-Hydroxyethyl octyl sulphide|2-Hydroxyethyl-n-octyl sulfide|BRN 1698968|Caswell No. 489B|EINECS 222-598-4|EPA Pesticide Chemical Code 046301|Ethanol, 2-(octylthio)-|MGK Repellent 874|MGK repellent R-874|NSC 163967|r-874 Phillips|UNII-3G5X52121W https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032516
ERPathway2016 ERPathway2016_1464 2-Hydroxyethyl octyl sulfide 3547-33-9 DTXSID6032516 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCSCCO 2-Hydroxyethyl octyl sulfide 3547-33-9|2-Hydroxyethyl octyl sulfide|(2-HYDROXYAETHYL)-OCTYL-SULFID|2-(octiltio)etanol|2-(octylsulfanyl)ethan-1-ol|2-(octylsulfanyl)ethanol|2-(Octylthio)ethanol|2-(Oktylthio)ethanol|2-Hydroxyethyl n-octyl sulfide|2-Hydroxyethyl octyl sulphide|2-Hydroxyethyl-n-octyl sulfide|BRN 1698968|Caswell No. 489B|EINECS 222-598-4|EPA Pesticide Chemical Code 046301|Ethanol, 2-(octylthio)-|MGK Repellent 874|MGK repellent R-874|NSC 163967|r-874 Phillips|UNII-3G5X52121W https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032516
ERPathway2016 ERPathway2016_1464 2-Hydroxyethyl octyl sulfide 3547-33-9 DTXSID6032516 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCSCCO 2-Hydroxyethyl octyl sulfide 3547-33-9|2-Hydroxyethyl octyl sulfide|(2-HYDROXYAETHYL)-OCTYL-SULFID|2-(octiltio)etanol|2-(octylsulfanyl)ethan-1-ol|2-(octylsulfanyl)ethanol|2-(Octylthio)ethanol|2-(Oktylthio)ethanol|2-Hydroxyethyl n-octyl sulfide|2-Hydroxyethyl octyl sulphide|2-Hydroxyethyl-n-octyl sulfide|BRN 1698968|Caswell No. 489B|EINECS 222-598-4|EPA Pesticide Chemical Code 046301|Ethanol, 2-(octylthio)-|MGK Repellent 874|MGK repellent R-874|NSC 163967|r-874 Phillips|UNII-3G5X52121W https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032516
ARPathway2016 ARPathway2016_1682 2-Isopropylphenol 88-69-7 DTXSID2044391 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=C(O)C=CC=C1 2-Isopropylphenol 88-69-7|2-Isopropylphenol|1-Hydroxy-2-isopropylbenzene|1-Hydroxy-3-isopropylbenzene|2-(1-Methylethyl)phenol|2-isopropilfenol|4-06-00-03210|BRN 1363322|Cumenol, o-|EINECS 201-852-8|FEMA No. 3461|ISOPROPYLPHENOL, ORTHO|NSC 5103|o-Cumenol|o-Hydroxycumene|o-Isopropylphenol|Phenol, 2-(1-methylethyl)-|PHENOL, 2-ISOPROPYL-|Phenol, o-isopropyl-|UNII-B2899Z0Q2U https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044391
ARPathway2016 ARPathway2016_1682 2-Isopropylphenol 88-69-7 DTXSID2044391 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=C(O)C=CC=C1 2-Isopropylphenol 88-69-7|2-Isopropylphenol|1-Hydroxy-2-isopropylbenzene|1-Hydroxy-3-isopropylbenzene|2-(1-Methylethyl)phenol|2-isopropilfenol|4-06-00-03210|BRN 1363322|Cumenol, o-|EINECS 201-852-8|FEMA No. 3461|ISOPROPYLPHENOL, ORTHO|NSC 5103|o-Cumenol|o-Hydroxycumene|o-Isopropylphenol|Phenol, 2-(1-methylethyl)-|PHENOL, 2-ISOPROPYL-|Phenol, o-isopropyl-|UNII-B2899Z0Q2U https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044391
ARPathway2016 ARPathway2016_1682 2-Isopropylphenol 88-69-7 DTXSID2044391 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C1=C(O)C=CC=C1 2-Isopropylphenol 88-69-7|2-Isopropylphenol|1-Hydroxy-2-isopropylbenzene|1-Hydroxy-3-isopropylbenzene|2-(1-Methylethyl)phenol|2-isopropilfenol|4-06-00-03210|BRN 1363322|Cumenol, o-|EINECS 201-852-8|FEMA No. 3461|ISOPROPYLPHENOL, ORTHO|NSC 5103|o-Cumenol|o-Hydroxycumene|o-Isopropylphenol|Phenol, 2-(1-methylethyl)-|PHENOL, 2-ISOPROPYL-|Phenol, o-isopropyl-|UNII-B2899Z0Q2U https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044391
ARPathway2016 ARPathway2016_1682 2-Isopropylphenol 88-69-7 DTXSID2044391 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=C(O)C=CC=C1 2-Isopropylphenol 88-69-7|2-Isopropylphenol|1-Hydroxy-2-isopropylbenzene|1-Hydroxy-3-isopropylbenzene|2-(1-Methylethyl)phenol|2-isopropilfenol|4-06-00-03210|BRN 1363322|Cumenol, o-|EINECS 201-852-8|FEMA No. 3461|ISOPROPYLPHENOL, ORTHO|NSC 5103|o-Cumenol|o-Hydroxycumene|o-Isopropylphenol|Phenol, 2-(1-methylethyl)-|PHENOL, 2-ISOPROPYL-|Phenol, o-isopropyl-|UNII-B2899Z0Q2U https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044391
ERPathway2016 ERPathway2016_1039 2-Isopropylphenol 88-69-7 DTXSID2044391 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=C(O)C=CC=C1 2-Isopropylphenol 88-69-7|2-Isopropylphenol|1-Hydroxy-2-isopropylbenzene|1-Hydroxy-3-isopropylbenzene|2-(1-Methylethyl)phenol|2-isopropilfenol|4-06-00-03210|BRN 1363322|Cumenol, o-|EINECS 201-852-8|FEMA No. 3461|ISOPROPYLPHENOL, ORTHO|NSC 5103|o-Cumenol|o-Hydroxycumene|o-Isopropylphenol|Phenol, 2-(1-methylethyl)-|PHENOL, 2-ISOPROPYL-|Phenol, o-isopropyl-|UNII-B2899Z0Q2U https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044391
ERPathway2016 ERPathway2016_1039 2-Isopropylphenol 88-69-7 DTXSID2044391 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=C(O)C=CC=C1 2-Isopropylphenol 88-69-7|2-Isopropylphenol|1-Hydroxy-2-isopropylbenzene|1-Hydroxy-3-isopropylbenzene|2-(1-Methylethyl)phenol|2-isopropilfenol|4-06-00-03210|BRN 1363322|Cumenol, o-|EINECS 201-852-8|FEMA No. 3461|ISOPROPYLPHENOL, ORTHO|NSC 5103|o-Cumenol|o-Hydroxycumene|o-Isopropylphenol|Phenol, 2-(1-methylethyl)-|PHENOL, 2-ISOPROPYL-|Phenol, o-isopropyl-|UNII-B2899Z0Q2U https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044391
ERPathway2016 ERPathway2016_1039 2-Isopropylphenol 88-69-7 DTXSID2044391 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C1=C(O)C=CC=C1 2-Isopropylphenol 88-69-7|2-Isopropylphenol|1-Hydroxy-2-isopropylbenzene|1-Hydroxy-3-isopropylbenzene|2-(1-Methylethyl)phenol|2-isopropilfenol|4-06-00-03210|BRN 1363322|Cumenol, o-|EINECS 201-852-8|FEMA No. 3461|ISOPROPYLPHENOL, ORTHO|NSC 5103|o-Cumenol|o-Hydroxycumene|o-Isopropylphenol|Phenol, 2-(1-methylethyl)-|PHENOL, 2-ISOPROPYL-|Phenol, o-isopropyl-|UNII-B2899Z0Q2U https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044391
ERPathway2016 ERPathway2016_1039 2-Isopropylphenol 88-69-7 DTXSID2044391 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=C(O)C=CC=C1 2-Isopropylphenol 88-69-7|2-Isopropylphenol|1-Hydroxy-2-isopropylbenzene|1-Hydroxy-3-isopropylbenzene|2-(1-Methylethyl)phenol|2-isopropilfenol|4-06-00-03210|BRN 1363322|Cumenol, o-|EINECS 201-852-8|FEMA No. 3461|ISOPROPYLPHENOL, ORTHO|NSC 5103|o-Cumenol|o-Hydroxycumene|o-Isopropylphenol|Phenol, 2-(1-methylethyl)-|PHENOL, 2-ISOPROPYL-|Phenol, o-isopropyl-|UNII-B2899Z0Q2U https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044391
ARPathway2016 ARPathway2016_875 2-Mercaptobenzothiazole 149-30-4 DTXSID1020807 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless SC1=NC2=C(S1)C=CC=C2 2-Mercaptobenzothiazole 149-30-4|2-Mercaptobenzothiazole|(2(3H)-Benzothiazolethione)|1,3-Benzothiazol-2-yl hydrosulfide|1,3-Benzothiazole-2-thiol|1,3-Benzothiazole-2-thione|2-Benzothiazolethiol|2-Benzothiazolinethione|2-BENZOTHIAZOLTHIOL|2-Benzothiazolyl mercaptan|2-MBT|2-Mercapthobenzothiazole Technical|2-Mercapto-1H-benzothiazole|2-Mercaptobenzthiazole|2-Mercptobenzothiazole|2-Merkaptobenzotiazol|2-Merkaptobenzthiazol|2-sulfanyl-1,3-benzothiazole|2-Sulfanylbenzothiazole|2,3-Dihydrobenzothiazole-2-thione|2(3H)-Benzothiazolethione|Accel M|Accelerator M|Aero Promoter 412|Benz-1,3-thiazolidine-2-thione|Benzo[d]thiazole-2-thiol|Benzothiazol-2-thiol|Benzothiazole-2-thiol|Benzothiazole-2-thione|BENZOTHIAZOLE, 2-MERCAPTO-|Benzothiazole, mercapto-|Benzothiazolethiol|benzothiazolyl mercaptan|benzotiazol-2-tiol|Captax|Caswell No. 541|Dermacid|EINECS 205-736-8|Ekagom G|EPA Pesticide Chemical Code 051701|Kaptaks|MBT|Mebetizol|Mebetizole|Mebithizol|Mercaptobenzothiazol|MERCAPTOBENZOTHIAZOLE|Mercaptobenzthiazole|NCI-C56519|Nocceler M|Nocceler M-P|Nonflex NB|NSC 2041|Perkacit MB|112242-83-8|119170-41-1|12640-90-3|1321-08-0|4464-58-8|55199-93-4|81605-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020807 https://doi.org/10.22427/NTP-DATA-DTXSID1020807
ARPathway2016 ARPathway2016_875 2-Mercaptobenzothiazole 149-30-4 DTXSID1020807 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless SC1=NC2=C(S1)C=CC=C2 2-Mercaptobenzothiazole 149-30-4|2-Mercaptobenzothiazole|(2(3H)-Benzothiazolethione)|1,3-Benzothiazol-2-yl hydrosulfide|1,3-Benzothiazole-2-thiol|1,3-Benzothiazole-2-thione|2-Benzothiazolethiol|2-Benzothiazolinethione|2-BENZOTHIAZOLTHIOL|2-Benzothiazolyl mercaptan|2-MBT|2-Mercapthobenzothiazole Technical|2-Mercapto-1H-benzothiazole|2-Mercaptobenzthiazole|2-Mercptobenzothiazole|2-Merkaptobenzotiazol|2-Merkaptobenzthiazol|2-sulfanyl-1,3-benzothiazole|2-Sulfanylbenzothiazole|2,3-Dihydrobenzothiazole-2-thione|2(3H)-Benzothiazolethione|Accel M|Accelerator M|Aero Promoter 412|Benz-1,3-thiazolidine-2-thione|Benzo[d]thiazole-2-thiol|Benzothiazol-2-thiol|Benzothiazole-2-thiol|Benzothiazole-2-thione|BENZOTHIAZOLE, 2-MERCAPTO-|Benzothiazole, mercapto-|Benzothiazolethiol|benzothiazolyl mercaptan|benzotiazol-2-tiol|Captax|Caswell No. 541|Dermacid|EINECS 205-736-8|Ekagom G|EPA Pesticide Chemical Code 051701|Kaptaks|MBT|Mebetizol|Mebetizole|Mebithizol|Mercaptobenzothiazol|MERCAPTOBENZOTHIAZOLE|Mercaptobenzthiazole|NCI-C56519|Nocceler M|Nocceler M-P|Nonflex NB|NSC 2041|Perkacit MB|112242-83-8|119170-41-1|12640-90-3|1321-08-0|4464-58-8|55199-93-4|81605-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020807 https://doi.org/10.22427/NTP-DATA-DTXSID1020807
ARPathway2016 ARPathway2016_875 2-Mercaptobenzothiazole 149-30-4 DTXSID1020807 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless SC1=NC2=C(S1)C=CC=C2 2-Mercaptobenzothiazole 149-30-4|2-Mercaptobenzothiazole|(2(3H)-Benzothiazolethione)|1,3-Benzothiazol-2-yl hydrosulfide|1,3-Benzothiazole-2-thiol|1,3-Benzothiazole-2-thione|2-Benzothiazolethiol|2-Benzothiazolinethione|2-BENZOTHIAZOLTHIOL|2-Benzothiazolyl mercaptan|2-MBT|2-Mercapthobenzothiazole Technical|2-Mercapto-1H-benzothiazole|2-Mercaptobenzthiazole|2-Mercptobenzothiazole|2-Merkaptobenzotiazol|2-Merkaptobenzthiazol|2-sulfanyl-1,3-benzothiazole|2-Sulfanylbenzothiazole|2,3-Dihydrobenzothiazole-2-thione|2(3H)-Benzothiazolethione|Accel M|Accelerator M|Aero Promoter 412|Benz-1,3-thiazolidine-2-thione|Benzo[d]thiazole-2-thiol|Benzothiazol-2-thiol|Benzothiazole-2-thiol|Benzothiazole-2-thione|BENZOTHIAZOLE, 2-MERCAPTO-|Benzothiazole, mercapto-|Benzothiazolethiol|benzothiazolyl mercaptan|benzotiazol-2-tiol|Captax|Caswell No. 541|Dermacid|EINECS 205-736-8|Ekagom G|EPA Pesticide Chemical Code 051701|Kaptaks|MBT|Mebetizol|Mebetizole|Mebithizol|Mercaptobenzothiazol|MERCAPTOBENZOTHIAZOLE|Mercaptobenzthiazole|NCI-C56519|Nocceler M|Nocceler M-P|Nonflex NB|NSC 2041|Perkacit MB|112242-83-8|119170-41-1|12640-90-3|1321-08-0|4464-58-8|55199-93-4|81605-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020807 https://doi.org/10.22427/NTP-DATA-DTXSID1020807
ARPathway2016 ARPathway2016_875 2-Mercaptobenzothiazole 149-30-4 DTXSID1020807 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless SC1=NC2=C(S1)C=CC=C2 2-Mercaptobenzothiazole 149-30-4|2-Mercaptobenzothiazole|(2(3H)-Benzothiazolethione)|1,3-Benzothiazol-2-yl hydrosulfide|1,3-Benzothiazole-2-thiol|1,3-Benzothiazole-2-thione|2-Benzothiazolethiol|2-Benzothiazolinethione|2-BENZOTHIAZOLTHIOL|2-Benzothiazolyl mercaptan|2-MBT|2-Mercapthobenzothiazole Technical|2-Mercapto-1H-benzothiazole|2-Mercaptobenzthiazole|2-Mercptobenzothiazole|2-Merkaptobenzotiazol|2-Merkaptobenzthiazol|2-sulfanyl-1,3-benzothiazole|2-Sulfanylbenzothiazole|2,3-Dihydrobenzothiazole-2-thione|2(3H)-Benzothiazolethione|Accel M|Accelerator M|Aero Promoter 412|Benz-1,3-thiazolidine-2-thione|Benzo[d]thiazole-2-thiol|Benzothiazol-2-thiol|Benzothiazole-2-thiol|Benzothiazole-2-thione|BENZOTHIAZOLE, 2-MERCAPTO-|Benzothiazole, mercapto-|Benzothiazolethiol|benzothiazolyl mercaptan|benzotiazol-2-tiol|Captax|Caswell No. 541|Dermacid|EINECS 205-736-8|Ekagom G|EPA Pesticide Chemical Code 051701|Kaptaks|MBT|Mebetizol|Mebetizole|Mebithizol|Mercaptobenzothiazol|MERCAPTOBENZOTHIAZOLE|Mercaptobenzthiazole|NCI-C56519|Nocceler M|Nocceler M-P|Nonflex NB|NSC 2041|Perkacit MB|112242-83-8|119170-41-1|12640-90-3|1321-08-0|4464-58-8|55199-93-4|81605-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020807 https://doi.org/10.22427/NTP-DATA-DTXSID1020807
ERPathway2016 ERPathway2016_1002 2-Mercaptobenzothiazole 149-30-4 DTXSID1020807 ER Pathway Model, Agonist Model Score 0 Unitless SC1=NC2=C(S1)C=CC=C2 2-Mercaptobenzothiazole 149-30-4|2-Mercaptobenzothiazole|(2(3H)-Benzothiazolethione)|1,3-Benzothiazol-2-yl hydrosulfide|1,3-Benzothiazole-2-thiol|1,3-Benzothiazole-2-thione|2-Benzothiazolethiol|2-Benzothiazolinethione|2-BENZOTHIAZOLTHIOL|2-Benzothiazolyl mercaptan|2-MBT|2-Mercapthobenzothiazole Technical|2-Mercapto-1H-benzothiazole|2-Mercaptobenzthiazole|2-Mercptobenzothiazole|2-Merkaptobenzotiazol|2-Merkaptobenzthiazol|2-sulfanyl-1,3-benzothiazole|2-Sulfanylbenzothiazole|2,3-Dihydrobenzothiazole-2-thione|2(3H)-Benzothiazolethione|Accel M|Accelerator M|Aero Promoter 412|Benz-1,3-thiazolidine-2-thione|Benzo[d]thiazole-2-thiol|Benzothiazol-2-thiol|Benzothiazole-2-thiol|Benzothiazole-2-thione|BENZOTHIAZOLE, 2-MERCAPTO-|Benzothiazole, mercapto-|Benzothiazolethiol|benzothiazolyl mercaptan|benzotiazol-2-tiol|Captax|Caswell No. 541|Dermacid|EINECS 205-736-8|Ekagom G|EPA Pesticide Chemical Code 051701|Kaptaks|MBT|Mebetizol|Mebetizole|Mebithizol|Mercaptobenzothiazol|MERCAPTOBENZOTHIAZOLE|Mercaptobenzthiazole|NCI-C56519|Nocceler M|Nocceler M-P|Nonflex NB|NSC 2041|Perkacit MB|112242-83-8|119170-41-1|12640-90-3|1321-08-0|4464-58-8|55199-93-4|81605-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020807 https://doi.org/10.22427/NTP-DATA-DTXSID1020807
ERPathway2016 ERPathway2016_1002 2-Mercaptobenzothiazole 149-30-4 DTXSID1020807 ER Pathway Model, Antagonist Model Score 0 Unitless SC1=NC2=C(S1)C=CC=C2 2-Mercaptobenzothiazole 149-30-4|2-Mercaptobenzothiazole|(2(3H)-Benzothiazolethione)|1,3-Benzothiazol-2-yl hydrosulfide|1,3-Benzothiazole-2-thiol|1,3-Benzothiazole-2-thione|2-Benzothiazolethiol|2-Benzothiazolinethione|2-BENZOTHIAZOLTHIOL|2-Benzothiazolyl mercaptan|2-MBT|2-Mercapthobenzothiazole Technical|2-Mercapto-1H-benzothiazole|2-Mercaptobenzthiazole|2-Mercptobenzothiazole|2-Merkaptobenzotiazol|2-Merkaptobenzthiazol|2-sulfanyl-1,3-benzothiazole|2-Sulfanylbenzothiazole|2,3-Dihydrobenzothiazole-2-thione|2(3H)-Benzothiazolethione|Accel M|Accelerator M|Aero Promoter 412|Benz-1,3-thiazolidine-2-thione|Benzo[d]thiazole-2-thiol|Benzothiazol-2-thiol|Benzothiazole-2-thiol|Benzothiazole-2-thione|BENZOTHIAZOLE, 2-MERCAPTO-|Benzothiazole, mercapto-|Benzothiazolethiol|benzothiazolyl mercaptan|benzotiazol-2-tiol|Captax|Caswell No. 541|Dermacid|EINECS 205-736-8|Ekagom G|EPA Pesticide Chemical Code 051701|Kaptaks|MBT|Mebetizol|Mebetizole|Mebithizol|Mercaptobenzothiazol|MERCAPTOBENZOTHIAZOLE|Mercaptobenzthiazole|NCI-C56519|Nocceler M|Nocceler M-P|Nonflex NB|NSC 2041|Perkacit MB|112242-83-8|119170-41-1|12640-90-3|1321-08-0|4464-58-8|55199-93-4|81605-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020807 https://doi.org/10.22427/NTP-DATA-DTXSID1020807
ERPathway2016 ERPathway2016_1002 2-Mercaptobenzothiazole 149-30-4 DTXSID1020807 ER Pathway Model, Agonist Call Inactive Unitless SC1=NC2=C(S1)C=CC=C2 2-Mercaptobenzothiazole 149-30-4|2-Mercaptobenzothiazole|(2(3H)-Benzothiazolethione)|1,3-Benzothiazol-2-yl hydrosulfide|1,3-Benzothiazole-2-thiol|1,3-Benzothiazole-2-thione|2-Benzothiazolethiol|2-Benzothiazolinethione|2-BENZOTHIAZOLTHIOL|2-Benzothiazolyl mercaptan|2-MBT|2-Mercapthobenzothiazole Technical|2-Mercapto-1H-benzothiazole|2-Mercaptobenzthiazole|2-Mercptobenzothiazole|2-Merkaptobenzotiazol|2-Merkaptobenzthiazol|2-sulfanyl-1,3-benzothiazole|2-Sulfanylbenzothiazole|2,3-Dihydrobenzothiazole-2-thione|2(3H)-Benzothiazolethione|Accel M|Accelerator M|Aero Promoter 412|Benz-1,3-thiazolidine-2-thione|Benzo[d]thiazole-2-thiol|Benzothiazol-2-thiol|Benzothiazole-2-thiol|Benzothiazole-2-thione|BENZOTHIAZOLE, 2-MERCAPTO-|Benzothiazole, mercapto-|Benzothiazolethiol|benzothiazolyl mercaptan|benzotiazol-2-tiol|Captax|Caswell No. 541|Dermacid|EINECS 205-736-8|Ekagom G|EPA Pesticide Chemical Code 051701|Kaptaks|MBT|Mebetizol|Mebetizole|Mebithizol|Mercaptobenzothiazol|MERCAPTOBENZOTHIAZOLE|Mercaptobenzthiazole|NCI-C56519|Nocceler M|Nocceler M-P|Nonflex NB|NSC 2041|Perkacit MB|112242-83-8|119170-41-1|12640-90-3|1321-08-0|4464-58-8|55199-93-4|81605-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020807 https://doi.org/10.22427/NTP-DATA-DTXSID1020807
ERPathway2016 ERPathway2016_1002 2-Mercaptobenzothiazole 149-30-4 DTXSID1020807 ER Pathway Model, Antagonist Call Inactive Unitless SC1=NC2=C(S1)C=CC=C2 2-Mercaptobenzothiazole 149-30-4|2-Mercaptobenzothiazole|(2(3H)-Benzothiazolethione)|1,3-Benzothiazol-2-yl hydrosulfide|1,3-Benzothiazole-2-thiol|1,3-Benzothiazole-2-thione|2-Benzothiazolethiol|2-Benzothiazolinethione|2-BENZOTHIAZOLTHIOL|2-Benzothiazolyl mercaptan|2-MBT|2-Mercapthobenzothiazole Technical|2-Mercapto-1H-benzothiazole|2-Mercaptobenzthiazole|2-Mercptobenzothiazole|2-Merkaptobenzotiazol|2-Merkaptobenzthiazol|2-sulfanyl-1,3-benzothiazole|2-Sulfanylbenzothiazole|2,3-Dihydrobenzothiazole-2-thione|2(3H)-Benzothiazolethione|Accel M|Accelerator M|Aero Promoter 412|Benz-1,3-thiazolidine-2-thione|Benzo[d]thiazole-2-thiol|Benzothiazol-2-thiol|Benzothiazole-2-thiol|Benzothiazole-2-thione|BENZOTHIAZOLE, 2-MERCAPTO-|Benzothiazole, mercapto-|Benzothiazolethiol|benzothiazolyl mercaptan|benzotiazol-2-tiol|Captax|Caswell No. 541|Dermacid|EINECS 205-736-8|Ekagom G|EPA Pesticide Chemical Code 051701|Kaptaks|MBT|Mebetizol|Mebetizole|Mebithizol|Mercaptobenzothiazol|MERCAPTOBENZOTHIAZOLE|Mercaptobenzthiazole|NCI-C56519|Nocceler M|Nocceler M-P|Nonflex NB|NSC 2041|Perkacit MB|112242-83-8|119170-41-1|12640-90-3|1321-08-0|4464-58-8|55199-93-4|81605-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020807 https://doi.org/10.22427/NTP-DATA-DTXSID1020807
ARPathway2016 ARPathway2016_1787 2-Methoxy-4-nitroaniline 97-52-9 DTXSID0038700 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC(=CC=C1N)[N+]([O-])=O 2-Methoxy-4-nitroaniline 97-52-9|2-Methoxy-4-nitroaniline|2-Amino-1-methoxy-5-nitrobenzene|2-Amino-5-nitroanisol|2-Amino-5-nitroanisole|2-Methoxy-4-nitrobenzenamine|4-Amino-3-methoxynitrobenzene|4-Nitro-6-methoxyaniline|5-Nitro-2-anisidine|Amarthol Fast Red B Base|Aniline, 2-methoxy-4-nitro-|Anisole, 2-amino-5-nitro-|Azoamine Pink O|Azoene Fast Red B Base|Benzenamine, 2-methoxy-4-nitro-|Brentamine Fast Red B Base|BRN 0879619|C.I. Azoic Diazo Component 5|Dainichi Fast Red B Base|Daito Red Base B|Devol Red E|Diabase Red B|Diazo Fast Red B|EINECS 202-588-6|Fast Red 5NA Base|Fast Red B|Fast Red B Base|Fast Red Base B|Hiltonil Fast Red B Base|Kako Red B Base|Kayaku Red B Base|Mitsui Red B Base|Naphthanil Red B Base|Naphthoelan Red B Base|Naphtoelan Red B Base|NSC 4130|p-Nitro-o-anisidine|Red B Base|Red Base Ciba V|Red Base IRGA V|Red Base NB|Sanyo Fast Red B Base|Shinnippon Fast Red B Base|Showa Fast Red B Base|Symulon Red B Base https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038700 https://doi.org/10.22427/NTP-DATA-DTXSID0038700
ARPathway2016 ARPathway2016_1787 2-Methoxy-4-nitroaniline 97-52-9 DTXSID0038700 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC(=CC=C1N)[N+]([O-])=O 2-Methoxy-4-nitroaniline 97-52-9|2-Methoxy-4-nitroaniline|2-Amino-1-methoxy-5-nitrobenzene|2-Amino-5-nitroanisol|2-Amino-5-nitroanisole|2-Methoxy-4-nitrobenzenamine|4-Amino-3-methoxynitrobenzene|4-Nitro-6-methoxyaniline|5-Nitro-2-anisidine|Amarthol Fast Red B Base|Aniline, 2-methoxy-4-nitro-|Anisole, 2-amino-5-nitro-|Azoamine Pink O|Azoene Fast Red B Base|Benzenamine, 2-methoxy-4-nitro-|Brentamine Fast Red B Base|BRN 0879619|C.I. Azoic Diazo Component 5|Dainichi Fast Red B Base|Daito Red Base B|Devol Red E|Diabase Red B|Diazo Fast Red B|EINECS 202-588-6|Fast Red 5NA Base|Fast Red B|Fast Red B Base|Fast Red Base B|Hiltonil Fast Red B Base|Kako Red B Base|Kayaku Red B Base|Mitsui Red B Base|Naphthanil Red B Base|Naphthoelan Red B Base|Naphtoelan Red B Base|NSC 4130|p-Nitro-o-anisidine|Red B Base|Red Base Ciba V|Red Base IRGA V|Red Base NB|Sanyo Fast Red B Base|Shinnippon Fast Red B Base|Showa Fast Red B Base|Symulon Red B Base https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038700 https://doi.org/10.22427/NTP-DATA-DTXSID0038700
ARPathway2016 ARPathway2016_1787 2-Methoxy-4-nitroaniline 97-52-9 DTXSID0038700 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC(=CC=C1N)[N+]([O-])=O 2-Methoxy-4-nitroaniline 97-52-9|2-Methoxy-4-nitroaniline|2-Amino-1-methoxy-5-nitrobenzene|2-Amino-5-nitroanisol|2-Amino-5-nitroanisole|2-Methoxy-4-nitrobenzenamine|4-Amino-3-methoxynitrobenzene|4-Nitro-6-methoxyaniline|5-Nitro-2-anisidine|Amarthol Fast Red B Base|Aniline, 2-methoxy-4-nitro-|Anisole, 2-amino-5-nitro-|Azoamine Pink O|Azoene Fast Red B Base|Benzenamine, 2-methoxy-4-nitro-|Brentamine Fast Red B Base|BRN 0879619|C.I. Azoic Diazo Component 5|Dainichi Fast Red B Base|Daito Red Base B|Devol Red E|Diabase Red B|Diazo Fast Red B|EINECS 202-588-6|Fast Red 5NA Base|Fast Red B|Fast Red B Base|Fast Red Base B|Hiltonil Fast Red B Base|Kako Red B Base|Kayaku Red B Base|Mitsui Red B Base|Naphthanil Red B Base|Naphthoelan Red B Base|Naphtoelan Red B Base|NSC 4130|p-Nitro-o-anisidine|Red B Base|Red Base Ciba V|Red Base IRGA V|Red Base NB|Sanyo Fast Red B Base|Shinnippon Fast Red B Base|Showa Fast Red B Base|Symulon Red B Base https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038700 https://doi.org/10.22427/NTP-DATA-DTXSID0038700
ARPathway2016 ARPathway2016_1787 2-Methoxy-4-nitroaniline 97-52-9 DTXSID0038700 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC(=CC=C1N)[N+]([O-])=O 2-Methoxy-4-nitroaniline 97-52-9|2-Methoxy-4-nitroaniline|2-Amino-1-methoxy-5-nitrobenzene|2-Amino-5-nitroanisol|2-Amino-5-nitroanisole|2-Methoxy-4-nitrobenzenamine|4-Amino-3-methoxynitrobenzene|4-Nitro-6-methoxyaniline|5-Nitro-2-anisidine|Amarthol Fast Red B Base|Aniline, 2-methoxy-4-nitro-|Anisole, 2-amino-5-nitro-|Azoamine Pink O|Azoene Fast Red B Base|Benzenamine, 2-methoxy-4-nitro-|Brentamine Fast Red B Base|BRN 0879619|C.I. Azoic Diazo Component 5|Dainichi Fast Red B Base|Daito Red Base B|Devol Red E|Diabase Red B|Diazo Fast Red B|EINECS 202-588-6|Fast Red 5NA Base|Fast Red B|Fast Red B Base|Fast Red Base B|Hiltonil Fast Red B Base|Kako Red B Base|Kayaku Red B Base|Mitsui Red B Base|Naphthanil Red B Base|Naphthoelan Red B Base|Naphtoelan Red B Base|NSC 4130|p-Nitro-o-anisidine|Red B Base|Red Base Ciba V|Red Base IRGA V|Red Base NB|Sanyo Fast Red B Base|Shinnippon Fast Red B Base|Showa Fast Red B Base|Symulon Red B Base https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038700 https://doi.org/10.22427/NTP-DATA-DTXSID0038700
ERPathway2016 ERPathway2016_664 2-Methoxy-4-nitroaniline 97-52-9 DTXSID0038700 A17 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC(=CC=C1N)[N+]([O-])=O 2-Methoxy-4-nitroaniline 97-52-9|2-Methoxy-4-nitroaniline|2-Amino-1-methoxy-5-nitrobenzene|2-Amino-5-nitroanisol|2-Amino-5-nitroanisole|2-Methoxy-4-nitrobenzenamine|4-Amino-3-methoxynitrobenzene|4-Nitro-6-methoxyaniline|5-Nitro-2-anisidine|Amarthol Fast Red B Base|Aniline, 2-methoxy-4-nitro-|Anisole, 2-amino-5-nitro-|Azoamine Pink O|Azoene Fast Red B Base|Benzenamine, 2-methoxy-4-nitro-|Brentamine Fast Red B Base|BRN 0879619|C.I. Azoic Diazo Component 5|Dainichi Fast Red B Base|Daito Red Base B|Devol Red E|Diabase Red B|Diazo Fast Red B|EINECS 202-588-6|Fast Red 5NA Base|Fast Red B|Fast Red B Base|Fast Red Base B|Hiltonil Fast Red B Base|Kako Red B Base|Kayaku Red B Base|Mitsui Red B Base|Naphthanil Red B Base|Naphthoelan Red B Base|Naphtoelan Red B Base|NSC 4130|p-Nitro-o-anisidine|Red B Base|Red Base Ciba V|Red Base IRGA V|Red Base NB|Sanyo Fast Red B Base|Shinnippon Fast Red B Base|Showa Fast Red B Base|Symulon Red B Base https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038700 https://doi.org/10.22427/NTP-DATA-DTXSID0038700
ERPathway2016 ERPathway2016_664 2-Methoxy-4-nitroaniline 97-52-9 DTXSID0038700 A17 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC(=CC=C1N)[N+]([O-])=O 2-Methoxy-4-nitroaniline 97-52-9|2-Methoxy-4-nitroaniline|2-Amino-1-methoxy-5-nitrobenzene|2-Amino-5-nitroanisol|2-Amino-5-nitroanisole|2-Methoxy-4-nitrobenzenamine|4-Amino-3-methoxynitrobenzene|4-Nitro-6-methoxyaniline|5-Nitro-2-anisidine|Amarthol Fast Red B Base|Aniline, 2-methoxy-4-nitro-|Anisole, 2-amino-5-nitro-|Azoamine Pink O|Azoene Fast Red B Base|Benzenamine, 2-methoxy-4-nitro-|Brentamine Fast Red B Base|BRN 0879619|C.I. Azoic Diazo Component 5|Dainichi Fast Red B Base|Daito Red Base B|Devol Red E|Diabase Red B|Diazo Fast Red B|EINECS 202-588-6|Fast Red 5NA Base|Fast Red B|Fast Red B Base|Fast Red Base B|Hiltonil Fast Red B Base|Kako Red B Base|Kayaku Red B Base|Mitsui Red B Base|Naphthanil Red B Base|Naphthoelan Red B Base|Naphtoelan Red B Base|NSC 4130|p-Nitro-o-anisidine|Red B Base|Red Base Ciba V|Red Base IRGA V|Red Base NB|Sanyo Fast Red B Base|Shinnippon Fast Red B Base|Showa Fast Red B Base|Symulon Red B Base https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038700 https://doi.org/10.22427/NTP-DATA-DTXSID0038700
ERPathway2016 ERPathway2016_664 2-Methoxy-4-nitroaniline 97-52-9 DTXSID0038700 A17 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC(=CC=C1N)[N+]([O-])=O 2-Methoxy-4-nitroaniline 97-52-9|2-Methoxy-4-nitroaniline|2-Amino-1-methoxy-5-nitrobenzene|2-Amino-5-nitroanisol|2-Amino-5-nitroanisole|2-Methoxy-4-nitrobenzenamine|4-Amino-3-methoxynitrobenzene|4-Nitro-6-methoxyaniline|5-Nitro-2-anisidine|Amarthol Fast Red B Base|Aniline, 2-methoxy-4-nitro-|Anisole, 2-amino-5-nitro-|Azoamine Pink O|Azoene Fast Red B Base|Benzenamine, 2-methoxy-4-nitro-|Brentamine Fast Red B Base|BRN 0879619|C.I. Azoic Diazo Component 5|Dainichi Fast Red B Base|Daito Red Base B|Devol Red E|Diabase Red B|Diazo Fast Red B|EINECS 202-588-6|Fast Red 5NA Base|Fast Red B|Fast Red B Base|Fast Red Base B|Hiltonil Fast Red B Base|Kako Red B Base|Kayaku Red B Base|Mitsui Red B Base|Naphthanil Red B Base|Naphthoelan Red B Base|Naphtoelan Red B Base|NSC 4130|p-Nitro-o-anisidine|Red B Base|Red Base Ciba V|Red Base IRGA V|Red Base NB|Sanyo Fast Red B Base|Shinnippon Fast Red B Base|Showa Fast Red B Base|Symulon Red B Base https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038700 https://doi.org/10.22427/NTP-DATA-DTXSID0038700
ERPathway2016 ERPathway2016_664 2-Methoxy-4-nitroaniline 97-52-9 DTXSID0038700 A17 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC(=CC=C1N)[N+]([O-])=O 2-Methoxy-4-nitroaniline 97-52-9|2-Methoxy-4-nitroaniline|2-Amino-1-methoxy-5-nitrobenzene|2-Amino-5-nitroanisol|2-Amino-5-nitroanisole|2-Methoxy-4-nitrobenzenamine|4-Amino-3-methoxynitrobenzene|4-Nitro-6-methoxyaniline|5-Nitro-2-anisidine|Amarthol Fast Red B Base|Aniline, 2-methoxy-4-nitro-|Anisole, 2-amino-5-nitro-|Azoamine Pink O|Azoene Fast Red B Base|Benzenamine, 2-methoxy-4-nitro-|Brentamine Fast Red B Base|BRN 0879619|C.I. Azoic Diazo Component 5|Dainichi Fast Red B Base|Daito Red Base B|Devol Red E|Diabase Red B|Diazo Fast Red B|EINECS 202-588-6|Fast Red 5NA Base|Fast Red B|Fast Red B Base|Fast Red Base B|Hiltonil Fast Red B Base|Kako Red B Base|Kayaku Red B Base|Mitsui Red B Base|Naphthanil Red B Base|Naphthoelan Red B Base|Naphtoelan Red B Base|NSC 4130|p-Nitro-o-anisidine|Red B Base|Red Base Ciba V|Red Base IRGA V|Red Base NB|Sanyo Fast Red B Base|Shinnippon Fast Red B Base|Showa Fast Red B Base|Symulon Red B Base https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038700 https://doi.org/10.22427/NTP-DATA-DTXSID0038700
ARPathway2016 ARPathway2016_675 2-Methoxy-5-methylaniline 120-71-8 DTXSID1020350 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(C)C=C1N 2-Methoxy-5-methylaniline 120-71-8|2-Methoxy-5-methylaniline|1-Amino-2-methoxy-5-methylbenzene|2-Amino-4-methylanisole|2-Methoxy-5-methyl-phenylamine|2-Methoxy-5-methylbenzenamine|3-13-00-01577|3-Amino-4-methoxytoluene|3-Amino-p-cresol methyl ether|3-Amino-para-cresol, methyl ether|4-Methoxy-m-toluidine|4-Methyl-2-aminoanisole|Azoic Red 36|Benzenamine, 2-methoxy-5-methyl-|BRN 0637071|C.I. Azoic Red 83|EINECS 204-419-1|Krezidin|Krezidine|m-Amino-p-cresol, methyl ester|meta-Amino-para-cresol, methyl ether|NCI-C02982|NSC 406904|ortho-Anisidine, 5-methyl-|p-Cresidine|p-Kresidin|para-Cresidine|UNII-4C11L78UR3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020350 https://doi.org/10.22427/NTP-DATA-DTXSID1020350
ARPathway2016 ARPathway2016_675 2-Methoxy-5-methylaniline 120-71-8 DTXSID1020350 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(C)C=C1N 2-Methoxy-5-methylaniline 120-71-8|2-Methoxy-5-methylaniline|1-Amino-2-methoxy-5-methylbenzene|2-Amino-4-methylanisole|2-Methoxy-5-methyl-phenylamine|2-Methoxy-5-methylbenzenamine|3-13-00-01577|3-Amino-4-methoxytoluene|3-Amino-p-cresol methyl ether|3-Amino-para-cresol, methyl ether|4-Methoxy-m-toluidine|4-Methyl-2-aminoanisole|Azoic Red 36|Benzenamine, 2-methoxy-5-methyl-|BRN 0637071|C.I. Azoic Red 83|EINECS 204-419-1|Krezidin|Krezidine|m-Amino-p-cresol, methyl ester|meta-Amino-para-cresol, methyl ether|NCI-C02982|NSC 406904|ortho-Anisidine, 5-methyl-|p-Cresidine|p-Kresidin|para-Cresidine|UNII-4C11L78UR3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020350 https://doi.org/10.22427/NTP-DATA-DTXSID1020350
ARPathway2016 ARPathway2016_675 2-Methoxy-5-methylaniline 120-71-8 DTXSID1020350 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(C)C=C1N 2-Methoxy-5-methylaniline 120-71-8|2-Methoxy-5-methylaniline|1-Amino-2-methoxy-5-methylbenzene|2-Amino-4-methylanisole|2-Methoxy-5-methyl-phenylamine|2-Methoxy-5-methylbenzenamine|3-13-00-01577|3-Amino-4-methoxytoluene|3-Amino-p-cresol methyl ether|3-Amino-para-cresol, methyl ether|4-Methoxy-m-toluidine|4-Methyl-2-aminoanisole|Azoic Red 36|Benzenamine, 2-methoxy-5-methyl-|BRN 0637071|C.I. Azoic Red 83|EINECS 204-419-1|Krezidin|Krezidine|m-Amino-p-cresol, methyl ester|meta-Amino-para-cresol, methyl ether|NCI-C02982|NSC 406904|ortho-Anisidine, 5-methyl-|p-Cresidine|p-Kresidin|para-Cresidine|UNII-4C11L78UR3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020350 https://doi.org/10.22427/NTP-DATA-DTXSID1020350
ARPathway2016 ARPathway2016_675 2-Methoxy-5-methylaniline 120-71-8 DTXSID1020350 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(C)C=C1N 2-Methoxy-5-methylaniline 120-71-8|2-Methoxy-5-methylaniline|1-Amino-2-methoxy-5-methylbenzene|2-Amino-4-methylanisole|2-Methoxy-5-methyl-phenylamine|2-Methoxy-5-methylbenzenamine|3-13-00-01577|3-Amino-4-methoxytoluene|3-Amino-p-cresol methyl ether|3-Amino-para-cresol, methyl ether|4-Methoxy-m-toluidine|4-Methyl-2-aminoanisole|Azoic Red 36|Benzenamine, 2-methoxy-5-methyl-|BRN 0637071|C.I. Azoic Red 83|EINECS 204-419-1|Krezidin|Krezidine|m-Amino-p-cresol, methyl ester|meta-Amino-para-cresol, methyl ether|NCI-C02982|NSC 406904|ortho-Anisidine, 5-methyl-|p-Cresidine|p-Kresidin|para-Cresidine|UNII-4C11L78UR3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020350 https://doi.org/10.22427/NTP-DATA-DTXSID1020350
ERPathway2016 ERPathway2016_1211 2-Methoxy-5-methylaniline 120-71-8 DTXSID1020350 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(C)C=C1N 2-Methoxy-5-methylaniline 120-71-8|2-Methoxy-5-methylaniline|1-Amino-2-methoxy-5-methylbenzene|2-Amino-4-methylanisole|2-Methoxy-5-methyl-phenylamine|2-Methoxy-5-methylbenzenamine|3-13-00-01577|3-Amino-4-methoxytoluene|3-Amino-p-cresol methyl ether|3-Amino-para-cresol, methyl ether|4-Methoxy-m-toluidine|4-Methyl-2-aminoanisole|Azoic Red 36|Benzenamine, 2-methoxy-5-methyl-|BRN 0637071|C.I. Azoic Red 83|EINECS 204-419-1|Krezidin|Krezidine|m-Amino-p-cresol, methyl ester|meta-Amino-para-cresol, methyl ether|NCI-C02982|NSC 406904|ortho-Anisidine, 5-methyl-|p-Cresidine|p-Kresidin|para-Cresidine|UNII-4C11L78UR3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020350 https://doi.org/10.22427/NTP-DATA-DTXSID1020350
ERPathway2016 ERPathway2016_1211 2-Methoxy-5-methylaniline 120-71-8 DTXSID1020350 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(C)C=C1N 2-Methoxy-5-methylaniline 120-71-8|2-Methoxy-5-methylaniline|1-Amino-2-methoxy-5-methylbenzene|2-Amino-4-methylanisole|2-Methoxy-5-methyl-phenylamine|2-Methoxy-5-methylbenzenamine|3-13-00-01577|3-Amino-4-methoxytoluene|3-Amino-p-cresol methyl ether|3-Amino-para-cresol, methyl ether|4-Methoxy-m-toluidine|4-Methyl-2-aminoanisole|Azoic Red 36|Benzenamine, 2-methoxy-5-methyl-|BRN 0637071|C.I. Azoic Red 83|EINECS 204-419-1|Krezidin|Krezidine|m-Amino-p-cresol, methyl ester|meta-Amino-para-cresol, methyl ether|NCI-C02982|NSC 406904|ortho-Anisidine, 5-methyl-|p-Cresidine|p-Kresidin|para-Cresidine|UNII-4C11L78UR3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020350 https://doi.org/10.22427/NTP-DATA-DTXSID1020350
ERPathway2016 ERPathway2016_1211 2-Methoxy-5-methylaniline 120-71-8 DTXSID1020350 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(C)C=C1N 2-Methoxy-5-methylaniline 120-71-8|2-Methoxy-5-methylaniline|1-Amino-2-methoxy-5-methylbenzene|2-Amino-4-methylanisole|2-Methoxy-5-methyl-phenylamine|2-Methoxy-5-methylbenzenamine|3-13-00-01577|3-Amino-4-methoxytoluene|3-Amino-p-cresol methyl ether|3-Amino-para-cresol, methyl ether|4-Methoxy-m-toluidine|4-Methyl-2-aminoanisole|Azoic Red 36|Benzenamine, 2-methoxy-5-methyl-|BRN 0637071|C.I. Azoic Red 83|EINECS 204-419-1|Krezidin|Krezidine|m-Amino-p-cresol, methyl ester|meta-Amino-para-cresol, methyl ether|NCI-C02982|NSC 406904|ortho-Anisidine, 5-methyl-|p-Cresidine|p-Kresidin|para-Cresidine|UNII-4C11L78UR3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020350 https://doi.org/10.22427/NTP-DATA-DTXSID1020350
ERPathway2016 ERPathway2016_1211 2-Methoxy-5-methylaniline 120-71-8 DTXSID1020350 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(C)C=C1N 2-Methoxy-5-methylaniline 120-71-8|2-Methoxy-5-methylaniline|1-Amino-2-methoxy-5-methylbenzene|2-Amino-4-methylanisole|2-Methoxy-5-methyl-phenylamine|2-Methoxy-5-methylbenzenamine|3-13-00-01577|3-Amino-4-methoxytoluene|3-Amino-p-cresol methyl ether|3-Amino-para-cresol, methyl ether|4-Methoxy-m-toluidine|4-Methyl-2-aminoanisole|Azoic Red 36|Benzenamine, 2-methoxy-5-methyl-|BRN 0637071|C.I. Azoic Red 83|EINECS 204-419-1|Krezidin|Krezidine|m-Amino-p-cresol, methyl ester|meta-Amino-para-cresol, methyl ether|NCI-C02982|NSC 406904|ortho-Anisidine, 5-methyl-|p-Cresidine|p-Kresidin|para-Cresidine|UNII-4C11L78UR3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020350 https://doi.org/10.22427/NTP-DATA-DTXSID1020350
ARPathway2016 ARPathway2016_533 2-Methoxyethanol 109-86-4 DTXSID5024182 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COCCO 2-Methoxyethanol 109-86-4|2-Methoxyethanol|1-Hydroxy-2-methoxyethane|2-hydroxyethyl methyl ether|2-Methoxy-1-ethanol|2-Methoxy-aethanol|2-Methoxyethyl alcohol|2-Methyloxyethanol|2-Metossietanolo|2-metoxietanol|3-Oxa-1-butanol|4-01-00-02375|AETHYLENGLYKOL-MONOMETHYLAETHER|Amsco-Solv EE|beta-Methoxyethanol|BRN 1731074|Caswell No. 551|Dowanol EM|EGME|EINECS 203-713-7|Ektasolve EM|EPA Pesticide Chemical Code 042202|Ethanol, 2-methoxy-|Ether monomethylique de l'ethylene-glycol|Ethylene glycol methyl ether|Ethylene glycol monomethyl ether|Ethyleneglycol monomethyl ether|Glycol ether EM|Glycol methyl ether|Glycol monomethyl ether|Hisolve MC|HOCH2CH2OCH3|Jeffersol EM|Methoxyethanol|Methoxyethylene glycol|Methoxyhydroxyethane|Methyl cellosolve|Methyl glycol|Methyl oxitol|Methylcellosolve|Methylcelosolv|Methylglykol|Metoksyetylowy alkohol|Monoethylene glycol methyl ether|Monomethyl ether of ethylene glycol|monomethyl ethylene glycol ether|Monomethyl glycol|Monomethyl glycol ether|Monomethylglycol|NSC 1258|Poly-Solv EM|UN 1188 (DOT)|UNII-EK1L6XWI56 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024182 https://doi.org/10.22427/NTP-DATA-DTXSID5024182
ARPathway2016 ARPathway2016_533 2-Methoxyethanol 109-86-4 DTXSID5024182 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COCCO 2-Methoxyethanol 109-86-4|2-Methoxyethanol|1-Hydroxy-2-methoxyethane|2-hydroxyethyl methyl ether|2-Methoxy-1-ethanol|2-Methoxy-aethanol|2-Methoxyethyl alcohol|2-Methyloxyethanol|2-Metossietanolo|2-metoxietanol|3-Oxa-1-butanol|4-01-00-02375|AETHYLENGLYKOL-MONOMETHYLAETHER|Amsco-Solv EE|beta-Methoxyethanol|BRN 1731074|Caswell No. 551|Dowanol EM|EGME|EINECS 203-713-7|Ektasolve EM|EPA Pesticide Chemical Code 042202|Ethanol, 2-methoxy-|Ether monomethylique de l'ethylene-glycol|Ethylene glycol methyl ether|Ethylene glycol monomethyl ether|Ethyleneglycol monomethyl ether|Glycol ether EM|Glycol methyl ether|Glycol monomethyl ether|Hisolve MC|HOCH2CH2OCH3|Jeffersol EM|Methoxyethanol|Methoxyethylene glycol|Methoxyhydroxyethane|Methyl cellosolve|Methyl glycol|Methyl oxitol|Methylcellosolve|Methylcelosolv|Methylglykol|Metoksyetylowy alkohol|Monoethylene glycol methyl ether|Monomethyl ether of ethylene glycol|monomethyl ethylene glycol ether|Monomethyl glycol|Monomethyl glycol ether|Monomethylglycol|NSC 1258|Poly-Solv EM|UN 1188 (DOT)|UNII-EK1L6XWI56 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024182 https://doi.org/10.22427/NTP-DATA-DTXSID5024182
ARPathway2016 ARPathway2016_533 2-Methoxyethanol 109-86-4 DTXSID5024182 0.0 AR Pathway Model, Agonist Call Inactive Unitless COCCO 2-Methoxyethanol 109-86-4|2-Methoxyethanol|1-Hydroxy-2-methoxyethane|2-hydroxyethyl methyl ether|2-Methoxy-1-ethanol|2-Methoxy-aethanol|2-Methoxyethyl alcohol|2-Methyloxyethanol|2-Metossietanolo|2-metoxietanol|3-Oxa-1-butanol|4-01-00-02375|AETHYLENGLYKOL-MONOMETHYLAETHER|Amsco-Solv EE|beta-Methoxyethanol|BRN 1731074|Caswell No. 551|Dowanol EM|EGME|EINECS 203-713-7|Ektasolve EM|EPA Pesticide Chemical Code 042202|Ethanol, 2-methoxy-|Ether monomethylique de l'ethylene-glycol|Ethylene glycol methyl ether|Ethylene glycol monomethyl ether|Ethyleneglycol monomethyl ether|Glycol ether EM|Glycol methyl ether|Glycol monomethyl ether|Hisolve MC|HOCH2CH2OCH3|Jeffersol EM|Methoxyethanol|Methoxyethylene glycol|Methoxyhydroxyethane|Methyl cellosolve|Methyl glycol|Methyl oxitol|Methylcellosolve|Methylcelosolv|Methylglykol|Metoksyetylowy alkohol|Monoethylene glycol methyl ether|Monomethyl ether of ethylene glycol|monomethyl ethylene glycol ether|Monomethyl glycol|Monomethyl glycol ether|Monomethylglycol|NSC 1258|Poly-Solv EM|UN 1188 (DOT)|UNII-EK1L6XWI56 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024182 https://doi.org/10.22427/NTP-DATA-DTXSID5024182
ARPathway2016 ARPathway2016_533 2-Methoxyethanol 109-86-4 DTXSID5024182 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COCCO 2-Methoxyethanol 109-86-4|2-Methoxyethanol|1-Hydroxy-2-methoxyethane|2-hydroxyethyl methyl ether|2-Methoxy-1-ethanol|2-Methoxy-aethanol|2-Methoxyethyl alcohol|2-Methyloxyethanol|2-Metossietanolo|2-metoxietanol|3-Oxa-1-butanol|4-01-00-02375|AETHYLENGLYKOL-MONOMETHYLAETHER|Amsco-Solv EE|beta-Methoxyethanol|BRN 1731074|Caswell No. 551|Dowanol EM|EGME|EINECS 203-713-7|Ektasolve EM|EPA Pesticide Chemical Code 042202|Ethanol, 2-methoxy-|Ether monomethylique de l'ethylene-glycol|Ethylene glycol methyl ether|Ethylene glycol monomethyl ether|Ethyleneglycol monomethyl ether|Glycol ether EM|Glycol methyl ether|Glycol monomethyl ether|Hisolve MC|HOCH2CH2OCH3|Jeffersol EM|Methoxyethanol|Methoxyethylene glycol|Methoxyhydroxyethane|Methyl cellosolve|Methyl glycol|Methyl oxitol|Methylcellosolve|Methylcelosolv|Methylglykol|Metoksyetylowy alkohol|Monoethylene glycol methyl ether|Monomethyl ether of ethylene glycol|monomethyl ethylene glycol ether|Monomethyl glycol|Monomethyl glycol ether|Monomethylglycol|NSC 1258|Poly-Solv EM|UN 1188 (DOT)|UNII-EK1L6XWI56 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024182 https://doi.org/10.22427/NTP-DATA-DTXSID5024182
ERPathway2016 ERPathway2016_1128 2-Methoxyethanol 109-86-4 DTXSID5024182 ER Pathway Model, Agonist Model Score 0 Unitless COCCO 2-Methoxyethanol 109-86-4|2-Methoxyethanol|1-Hydroxy-2-methoxyethane|2-hydroxyethyl methyl ether|2-Methoxy-1-ethanol|2-Methoxy-aethanol|2-Methoxyethyl alcohol|2-Methyloxyethanol|2-Metossietanolo|2-metoxietanol|3-Oxa-1-butanol|4-01-00-02375|AETHYLENGLYKOL-MONOMETHYLAETHER|Amsco-Solv EE|beta-Methoxyethanol|BRN 1731074|Caswell No. 551|Dowanol EM|EGME|EINECS 203-713-7|Ektasolve EM|EPA Pesticide Chemical Code 042202|Ethanol, 2-methoxy-|Ether monomethylique de l'ethylene-glycol|Ethylene glycol methyl ether|Ethylene glycol monomethyl ether|Ethyleneglycol monomethyl ether|Glycol ether EM|Glycol methyl ether|Glycol monomethyl ether|Hisolve MC|HOCH2CH2OCH3|Jeffersol EM|Methoxyethanol|Methoxyethylene glycol|Methoxyhydroxyethane|Methyl cellosolve|Methyl glycol|Methyl oxitol|Methylcellosolve|Methylcelosolv|Methylglykol|Metoksyetylowy alkohol|Monoethylene glycol methyl ether|Monomethyl ether of ethylene glycol|monomethyl ethylene glycol ether|Monomethyl glycol|Monomethyl glycol ether|Monomethylglycol|NSC 1258|Poly-Solv EM|UN 1188 (DOT)|UNII-EK1L6XWI56 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024182 https://doi.org/10.22427/NTP-DATA-DTXSID5024182
ERPathway2016 ERPathway2016_1128 2-Methoxyethanol 109-86-4 DTXSID5024182 ER Pathway Model, Antagonist Model Score 0 Unitless COCCO 2-Methoxyethanol 109-86-4|2-Methoxyethanol|1-Hydroxy-2-methoxyethane|2-hydroxyethyl methyl ether|2-Methoxy-1-ethanol|2-Methoxy-aethanol|2-Methoxyethyl alcohol|2-Methyloxyethanol|2-Metossietanolo|2-metoxietanol|3-Oxa-1-butanol|4-01-00-02375|AETHYLENGLYKOL-MONOMETHYLAETHER|Amsco-Solv EE|beta-Methoxyethanol|BRN 1731074|Caswell No. 551|Dowanol EM|EGME|EINECS 203-713-7|Ektasolve EM|EPA Pesticide Chemical Code 042202|Ethanol, 2-methoxy-|Ether monomethylique de l'ethylene-glycol|Ethylene glycol methyl ether|Ethylene glycol monomethyl ether|Ethyleneglycol monomethyl ether|Glycol ether EM|Glycol methyl ether|Glycol monomethyl ether|Hisolve MC|HOCH2CH2OCH3|Jeffersol EM|Methoxyethanol|Methoxyethylene glycol|Methoxyhydroxyethane|Methyl cellosolve|Methyl glycol|Methyl oxitol|Methylcellosolve|Methylcelosolv|Methylglykol|Metoksyetylowy alkohol|Monoethylene glycol methyl ether|Monomethyl ether of ethylene glycol|monomethyl ethylene glycol ether|Monomethyl glycol|Monomethyl glycol ether|Monomethylglycol|NSC 1258|Poly-Solv EM|UN 1188 (DOT)|UNII-EK1L6XWI56 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024182 https://doi.org/10.22427/NTP-DATA-DTXSID5024182
ERPathway2016 ERPathway2016_1128 2-Methoxyethanol 109-86-4 DTXSID5024182 ER Pathway Model, Agonist Call Inactive Unitless COCCO 2-Methoxyethanol 109-86-4|2-Methoxyethanol|1-Hydroxy-2-methoxyethane|2-hydroxyethyl methyl ether|2-Methoxy-1-ethanol|2-Methoxy-aethanol|2-Methoxyethyl alcohol|2-Methyloxyethanol|2-Metossietanolo|2-metoxietanol|3-Oxa-1-butanol|4-01-00-02375|AETHYLENGLYKOL-MONOMETHYLAETHER|Amsco-Solv EE|beta-Methoxyethanol|BRN 1731074|Caswell No. 551|Dowanol EM|EGME|EINECS 203-713-7|Ektasolve EM|EPA Pesticide Chemical Code 042202|Ethanol, 2-methoxy-|Ether monomethylique de l'ethylene-glycol|Ethylene glycol methyl ether|Ethylene glycol monomethyl ether|Ethyleneglycol monomethyl ether|Glycol ether EM|Glycol methyl ether|Glycol monomethyl ether|Hisolve MC|HOCH2CH2OCH3|Jeffersol EM|Methoxyethanol|Methoxyethylene glycol|Methoxyhydroxyethane|Methyl cellosolve|Methyl glycol|Methyl oxitol|Methylcellosolve|Methylcelosolv|Methylglykol|Metoksyetylowy alkohol|Monoethylene glycol methyl ether|Monomethyl ether of ethylene glycol|monomethyl ethylene glycol ether|Monomethyl glycol|Monomethyl glycol ether|Monomethylglycol|NSC 1258|Poly-Solv EM|UN 1188 (DOT)|UNII-EK1L6XWI56 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024182 https://doi.org/10.22427/NTP-DATA-DTXSID5024182
ERPathway2016 ERPathway2016_1128 2-Methoxyethanol 109-86-4 DTXSID5024182 ER Pathway Model, Antagonist Call Inactive Unitless COCCO 2-Methoxyethanol 109-86-4|2-Methoxyethanol|1-Hydroxy-2-methoxyethane|2-hydroxyethyl methyl ether|2-Methoxy-1-ethanol|2-Methoxy-aethanol|2-Methoxyethyl alcohol|2-Methyloxyethanol|2-Metossietanolo|2-metoxietanol|3-Oxa-1-butanol|4-01-00-02375|AETHYLENGLYKOL-MONOMETHYLAETHER|Amsco-Solv EE|beta-Methoxyethanol|BRN 1731074|Caswell No. 551|Dowanol EM|EGME|EINECS 203-713-7|Ektasolve EM|EPA Pesticide Chemical Code 042202|Ethanol, 2-methoxy-|Ether monomethylique de l'ethylene-glycol|Ethylene glycol methyl ether|Ethylene glycol monomethyl ether|Ethyleneglycol monomethyl ether|Glycol ether EM|Glycol methyl ether|Glycol monomethyl ether|Hisolve MC|HOCH2CH2OCH3|Jeffersol EM|Methoxyethanol|Methoxyethylene glycol|Methoxyhydroxyethane|Methyl cellosolve|Methyl glycol|Methyl oxitol|Methylcellosolve|Methylcelosolv|Methylglykol|Metoksyetylowy alkohol|Monoethylene glycol methyl ether|Monomethyl ether of ethylene glycol|monomethyl ethylene glycol ether|Monomethyl glycol|Monomethyl glycol ether|Monomethylglycol|NSC 1258|Poly-Solv EM|UN 1188 (DOT)|UNII-EK1L6XWI56 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024182 https://doi.org/10.22427/NTP-DATA-DTXSID5024182
ARPathway2016 ARPathway2016_1697 2-Methoxyphenol 90-05-1 DTXSID0023113 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=C(O)C=CC=C1 2-Methoxyphenol 90-05-1|2-Methoxyphenol|1-Hydroxy-2-methoxybenzene|2-Hydroxyanisole|2-Methoxy-Phenol|Anastil|Creodon|EINECS 201-964-7|FEMA No. 2532|Gaiacol|Guaiacol|Guaiacol (liquid) extra pure|Guaiastil|Guaicol|Guaicolina|Guajacol|Guajakol|Guajol|Guasol|guayacol|Guiacol|Methoxyphenol|Methylcatachol|Methylcatechol|NSC 3815|o-Guaiacol|o-Hydroxyanisole|O-Methoxy-Phenol|o-Methoxyphenol|O-Methyl catechol|Phenol, 2-methoxy-|Phenol, o-methoxy-|Pyrocatechol methyl ester|Pyrocatechol monomethyl ether|Pyroguaiac acid|UNII-6JKA7MAH9C https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023113 https://doi.org/10.22427/NTP-DATA-DTXSID0023113
ARPathway2016 ARPathway2016_1697 2-Methoxyphenol 90-05-1 DTXSID0023113 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=C(O)C=CC=C1 2-Methoxyphenol 90-05-1|2-Methoxyphenol|1-Hydroxy-2-methoxybenzene|2-Hydroxyanisole|2-Methoxy-Phenol|Anastil|Creodon|EINECS 201-964-7|FEMA No. 2532|Gaiacol|Guaiacol|Guaiacol (liquid) extra pure|Guaiastil|Guaicol|Guaicolina|Guajacol|Guajakol|Guajol|Guasol|guayacol|Guiacol|Methoxyphenol|Methylcatachol|Methylcatechol|NSC 3815|o-Guaiacol|o-Hydroxyanisole|O-Methoxy-Phenol|o-Methoxyphenol|O-Methyl catechol|Phenol, 2-methoxy-|Phenol, o-methoxy-|Pyrocatechol methyl ester|Pyrocatechol monomethyl ether|Pyroguaiac acid|UNII-6JKA7MAH9C https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023113 https://doi.org/10.22427/NTP-DATA-DTXSID0023113
ARPathway2016 ARPathway2016_1697 2-Methoxyphenol 90-05-1 DTXSID0023113 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=C(O)C=CC=C1 2-Methoxyphenol 90-05-1|2-Methoxyphenol|1-Hydroxy-2-methoxybenzene|2-Hydroxyanisole|2-Methoxy-Phenol|Anastil|Creodon|EINECS 201-964-7|FEMA No. 2532|Gaiacol|Guaiacol|Guaiacol (liquid) extra pure|Guaiastil|Guaicol|Guaicolina|Guajacol|Guajakol|Guajol|Guasol|guayacol|Guiacol|Methoxyphenol|Methylcatachol|Methylcatechol|NSC 3815|o-Guaiacol|o-Hydroxyanisole|O-Methoxy-Phenol|o-Methoxyphenol|O-Methyl catechol|Phenol, 2-methoxy-|Phenol, o-methoxy-|Pyrocatechol methyl ester|Pyrocatechol monomethyl ether|Pyroguaiac acid|UNII-6JKA7MAH9C https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023113 https://doi.org/10.22427/NTP-DATA-DTXSID0023113
ARPathway2016 ARPathway2016_1697 2-Methoxyphenol 90-05-1 DTXSID0023113 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=C(O)C=CC=C1 2-Methoxyphenol 90-05-1|2-Methoxyphenol|1-Hydroxy-2-methoxybenzene|2-Hydroxyanisole|2-Methoxy-Phenol|Anastil|Creodon|EINECS 201-964-7|FEMA No. 2532|Gaiacol|Guaiacol|Guaiacol (liquid) extra pure|Guaiastil|Guaicol|Guaicolina|Guajacol|Guajakol|Guajol|Guasol|guayacol|Guiacol|Methoxyphenol|Methylcatachol|Methylcatechol|NSC 3815|o-Guaiacol|o-Hydroxyanisole|O-Methoxy-Phenol|o-Methoxyphenol|O-Methyl catechol|Phenol, 2-methoxy-|Phenol, o-methoxy-|Pyrocatechol methyl ester|Pyrocatechol monomethyl ether|Pyroguaiac acid|UNII-6JKA7MAH9C https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023113 https://doi.org/10.22427/NTP-DATA-DTXSID0023113
ERPathway2016 ERPathway2016_1732 2-Methoxyphenol 90-05-1 DTXSID0023113 ER Pathway Model, Agonist Model Score 0 Unitless COC1=C(O)C=CC=C1 2-Methoxyphenol 90-05-1|2-Methoxyphenol|1-Hydroxy-2-methoxybenzene|2-Hydroxyanisole|2-Methoxy-Phenol|Anastil|Creodon|EINECS 201-964-7|FEMA No. 2532|Gaiacol|Guaiacol|Guaiacol (liquid) extra pure|Guaiastil|Guaicol|Guaicolina|Guajacol|Guajakol|Guajol|Guasol|guayacol|Guiacol|Methoxyphenol|Methylcatachol|Methylcatechol|NSC 3815|o-Guaiacol|o-Hydroxyanisole|O-Methoxy-Phenol|o-Methoxyphenol|O-Methyl catechol|Phenol, 2-methoxy-|Phenol, o-methoxy-|Pyrocatechol methyl ester|Pyrocatechol monomethyl ether|Pyroguaiac acid|UNII-6JKA7MAH9C https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023113 https://doi.org/10.22427/NTP-DATA-DTXSID0023113
ERPathway2016 ERPathway2016_1732 2-Methoxyphenol 90-05-1 DTXSID0023113 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=C(O)C=CC=C1 2-Methoxyphenol 90-05-1|2-Methoxyphenol|1-Hydroxy-2-methoxybenzene|2-Hydroxyanisole|2-Methoxy-Phenol|Anastil|Creodon|EINECS 201-964-7|FEMA No. 2532|Gaiacol|Guaiacol|Guaiacol (liquid) extra pure|Guaiastil|Guaicol|Guaicolina|Guajacol|Guajakol|Guajol|Guasol|guayacol|Guiacol|Methoxyphenol|Methylcatachol|Methylcatechol|NSC 3815|o-Guaiacol|o-Hydroxyanisole|O-Methoxy-Phenol|o-Methoxyphenol|O-Methyl catechol|Phenol, 2-methoxy-|Phenol, o-methoxy-|Pyrocatechol methyl ester|Pyrocatechol monomethyl ether|Pyroguaiac acid|UNII-6JKA7MAH9C https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023113 https://doi.org/10.22427/NTP-DATA-DTXSID0023113
ERPathway2016 ERPathway2016_1732 2-Methoxyphenol 90-05-1 DTXSID0023113 ER Pathway Model, Agonist Call Inactive Unitless COC1=C(O)C=CC=C1 2-Methoxyphenol 90-05-1|2-Methoxyphenol|1-Hydroxy-2-methoxybenzene|2-Hydroxyanisole|2-Methoxy-Phenol|Anastil|Creodon|EINECS 201-964-7|FEMA No. 2532|Gaiacol|Guaiacol|Guaiacol (liquid) extra pure|Guaiastil|Guaicol|Guaicolina|Guajacol|Guajakol|Guajol|Guasol|guayacol|Guiacol|Methoxyphenol|Methylcatachol|Methylcatechol|NSC 3815|o-Guaiacol|o-Hydroxyanisole|O-Methoxy-Phenol|o-Methoxyphenol|O-Methyl catechol|Phenol, 2-methoxy-|Phenol, o-methoxy-|Pyrocatechol methyl ester|Pyrocatechol monomethyl ether|Pyroguaiac acid|UNII-6JKA7MAH9C https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023113 https://doi.org/10.22427/NTP-DATA-DTXSID0023113
ERPathway2016 ERPathway2016_1732 2-Methoxyphenol 90-05-1 DTXSID0023113 ER Pathway Model, Antagonist Call Inactive Unitless COC1=C(O)C=CC=C1 2-Methoxyphenol 90-05-1|2-Methoxyphenol|1-Hydroxy-2-methoxybenzene|2-Hydroxyanisole|2-Methoxy-Phenol|Anastil|Creodon|EINECS 201-964-7|FEMA No. 2532|Gaiacol|Guaiacol|Guaiacol (liquid) extra pure|Guaiastil|Guaicol|Guaicolina|Guajacol|Guajakol|Guajol|Guasol|guayacol|Guiacol|Methoxyphenol|Methylcatachol|Methylcatechol|NSC 3815|o-Guaiacol|o-Hydroxyanisole|O-Methoxy-Phenol|o-Methoxyphenol|O-Methyl catechol|Phenol, 2-methoxy-|Phenol, o-methoxy-|Pyrocatechol methyl ester|Pyrocatechol monomethyl ether|Pyroguaiac acid|UNII-6JKA7MAH9C https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023113 https://doi.org/10.22427/NTP-DATA-DTXSID0023113
ARPathway2016 ARPathway2016_493 2-Methyl-2,4-pentanediol 107-41-5 DTXSID5021885 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(O)CC(C)(C)O 2-Methyl-2,4-pentanediol 107-41-5|2-Methyl-2,4-pentanediol|(.+-.)-2-Methyl-2,4-pentanediol|(+-)-2-Methyl-2,4-pentanediol|1,1,3-trimethyl-1,3-propanediol|1,1,3-Trimethyltrimethylenediol|1,3-dimethyl-3-hydroxybutanol|1,3,3-trimethyl-1,3-propanediol|2-Methyl pentane-2,4-diol|2-METHYL-2,4-PENTANDIOL|2-Methylpentan-2,4-diol|2-Methylpentane-2,4-diol|2-metilpentano-2,4-diol|2,4-Dihydroxy-2-methylpentane|2,4-Dihydroxy-4-methylpentane|2,4-Pentanediol, 2-methyl-|2,4-pentanediol,2-methyl|4-01-00-02565|4-Methyl-2,4-pentanediol|alpha,alpha,alpha'-trimethyltrimethylene glycol|BRN 1098298|Caswell No. 574|Diolane|EINECS 203-489-0|EPA Pesticide Chemical Code 068601|Hexylene glycol|MPD|NSC 8098|PENTANE-2,4-DIOL, 2-METHYL-|Pinakon|UNII-KEH0A3F75J|a,a,a'-Trimethyltrimethylene glycol|99113-75-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021885
ARPathway2016 ARPathway2016_493 2-Methyl-2,4-pentanediol 107-41-5 DTXSID5021885 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(O)CC(C)(C)O 2-Methyl-2,4-pentanediol 107-41-5|2-Methyl-2,4-pentanediol|(.+-.)-2-Methyl-2,4-pentanediol|(+-)-2-Methyl-2,4-pentanediol|1,1,3-trimethyl-1,3-propanediol|1,1,3-Trimethyltrimethylenediol|1,3-dimethyl-3-hydroxybutanol|1,3,3-trimethyl-1,3-propanediol|2-Methyl pentane-2,4-diol|2-METHYL-2,4-PENTANDIOL|2-Methylpentan-2,4-diol|2-Methylpentane-2,4-diol|2-metilpentano-2,4-diol|2,4-Dihydroxy-2-methylpentane|2,4-Dihydroxy-4-methylpentane|2,4-Pentanediol, 2-methyl-|2,4-pentanediol,2-methyl|4-01-00-02565|4-Methyl-2,4-pentanediol|alpha,alpha,alpha'-trimethyltrimethylene glycol|BRN 1098298|Caswell No. 574|Diolane|EINECS 203-489-0|EPA Pesticide Chemical Code 068601|Hexylene glycol|MPD|NSC 8098|PENTANE-2,4-DIOL, 2-METHYL-|Pinakon|UNII-KEH0A3F75J|a,a,a'-Trimethyltrimethylene glycol|99113-75-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021885
ARPathway2016 ARPathway2016_493 2-Methyl-2,4-pentanediol 107-41-5 DTXSID5021885 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(O)CC(C)(C)O 2-Methyl-2,4-pentanediol 107-41-5|2-Methyl-2,4-pentanediol|(.+-.)-2-Methyl-2,4-pentanediol|(+-)-2-Methyl-2,4-pentanediol|1,1,3-trimethyl-1,3-propanediol|1,1,3-Trimethyltrimethylenediol|1,3-dimethyl-3-hydroxybutanol|1,3,3-trimethyl-1,3-propanediol|2-Methyl pentane-2,4-diol|2-METHYL-2,4-PENTANDIOL|2-Methylpentan-2,4-diol|2-Methylpentane-2,4-diol|2-metilpentano-2,4-diol|2,4-Dihydroxy-2-methylpentane|2,4-Dihydroxy-4-methylpentane|2,4-Pentanediol, 2-methyl-|2,4-pentanediol,2-methyl|4-01-00-02565|4-Methyl-2,4-pentanediol|alpha,alpha,alpha'-trimethyltrimethylene glycol|BRN 1098298|Caswell No. 574|Diolane|EINECS 203-489-0|EPA Pesticide Chemical Code 068601|Hexylene glycol|MPD|NSC 8098|PENTANE-2,4-DIOL, 2-METHYL-|Pinakon|UNII-KEH0A3F75J|a,a,a'-Trimethyltrimethylene glycol|99113-75-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021885
ARPathway2016 ARPathway2016_493 2-Methyl-2,4-pentanediol 107-41-5 DTXSID5021885 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(O)CC(C)(C)O 2-Methyl-2,4-pentanediol 107-41-5|2-Methyl-2,4-pentanediol|(.+-.)-2-Methyl-2,4-pentanediol|(+-)-2-Methyl-2,4-pentanediol|1,1,3-trimethyl-1,3-propanediol|1,1,3-Trimethyltrimethylenediol|1,3-dimethyl-3-hydroxybutanol|1,3,3-trimethyl-1,3-propanediol|2-Methyl pentane-2,4-diol|2-METHYL-2,4-PENTANDIOL|2-Methylpentan-2,4-diol|2-Methylpentane-2,4-diol|2-metilpentano-2,4-diol|2,4-Dihydroxy-2-methylpentane|2,4-Dihydroxy-4-methylpentane|2,4-Pentanediol, 2-methyl-|2,4-pentanediol,2-methyl|4-01-00-02565|4-Methyl-2,4-pentanediol|alpha,alpha,alpha'-trimethyltrimethylene glycol|BRN 1098298|Caswell No. 574|Diolane|EINECS 203-489-0|EPA Pesticide Chemical Code 068601|Hexylene glycol|MPD|NSC 8098|PENTANE-2,4-DIOL, 2-METHYL-|Pinakon|UNII-KEH0A3F75J|a,a,a'-Trimethyltrimethylene glycol|99113-75-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021885
ERPathway2016 ERPathway2016_1099 2-Methyl-2,4-pentanediol 107-41-5 DTXSID5021885 ER Pathway Model, Agonist Model Score 0 Unitless CC(O)CC(C)(C)O 2-Methyl-2,4-pentanediol 107-41-5|2-Methyl-2,4-pentanediol|(.+-.)-2-Methyl-2,4-pentanediol|(+-)-2-Methyl-2,4-pentanediol|1,1,3-trimethyl-1,3-propanediol|1,1,3-Trimethyltrimethylenediol|1,3-dimethyl-3-hydroxybutanol|1,3,3-trimethyl-1,3-propanediol|2-Methyl pentane-2,4-diol|2-METHYL-2,4-PENTANDIOL|2-Methylpentan-2,4-diol|2-Methylpentane-2,4-diol|2-metilpentano-2,4-diol|2,4-Dihydroxy-2-methylpentane|2,4-Dihydroxy-4-methylpentane|2,4-Pentanediol, 2-methyl-|2,4-pentanediol,2-methyl|4-01-00-02565|4-Methyl-2,4-pentanediol|alpha,alpha,alpha'-trimethyltrimethylene glycol|BRN 1098298|Caswell No. 574|Diolane|EINECS 203-489-0|EPA Pesticide Chemical Code 068601|Hexylene glycol|MPD|NSC 8098|PENTANE-2,4-DIOL, 2-METHYL-|Pinakon|UNII-KEH0A3F75J|a,a,a'-Trimethyltrimethylene glycol|99113-75-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021885
ERPathway2016 ERPathway2016_1099 2-Methyl-2,4-pentanediol 107-41-5 DTXSID5021885 ER Pathway Model, Antagonist Model Score 0 Unitless CC(O)CC(C)(C)O 2-Methyl-2,4-pentanediol 107-41-5|2-Methyl-2,4-pentanediol|(.+-.)-2-Methyl-2,4-pentanediol|(+-)-2-Methyl-2,4-pentanediol|1,1,3-trimethyl-1,3-propanediol|1,1,3-Trimethyltrimethylenediol|1,3-dimethyl-3-hydroxybutanol|1,3,3-trimethyl-1,3-propanediol|2-Methyl pentane-2,4-diol|2-METHYL-2,4-PENTANDIOL|2-Methylpentan-2,4-diol|2-Methylpentane-2,4-diol|2-metilpentano-2,4-diol|2,4-Dihydroxy-2-methylpentane|2,4-Dihydroxy-4-methylpentane|2,4-Pentanediol, 2-methyl-|2,4-pentanediol,2-methyl|4-01-00-02565|4-Methyl-2,4-pentanediol|alpha,alpha,alpha'-trimethyltrimethylene glycol|BRN 1098298|Caswell No. 574|Diolane|EINECS 203-489-0|EPA Pesticide Chemical Code 068601|Hexylene glycol|MPD|NSC 8098|PENTANE-2,4-DIOL, 2-METHYL-|Pinakon|UNII-KEH0A3F75J|a,a,a'-Trimethyltrimethylene glycol|99113-75-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021885
ERPathway2016 ERPathway2016_1099 2-Methyl-2,4-pentanediol 107-41-5 DTXSID5021885 ER Pathway Model, Agonist Call Inactive Unitless CC(O)CC(C)(C)O 2-Methyl-2,4-pentanediol 107-41-5|2-Methyl-2,4-pentanediol|(.+-.)-2-Methyl-2,4-pentanediol|(+-)-2-Methyl-2,4-pentanediol|1,1,3-trimethyl-1,3-propanediol|1,1,3-Trimethyltrimethylenediol|1,3-dimethyl-3-hydroxybutanol|1,3,3-trimethyl-1,3-propanediol|2-Methyl pentane-2,4-diol|2-METHYL-2,4-PENTANDIOL|2-Methylpentan-2,4-diol|2-Methylpentane-2,4-diol|2-metilpentano-2,4-diol|2,4-Dihydroxy-2-methylpentane|2,4-Dihydroxy-4-methylpentane|2,4-Pentanediol, 2-methyl-|2,4-pentanediol,2-methyl|4-01-00-02565|4-Methyl-2,4-pentanediol|alpha,alpha,alpha'-trimethyltrimethylene glycol|BRN 1098298|Caswell No. 574|Diolane|EINECS 203-489-0|EPA Pesticide Chemical Code 068601|Hexylene glycol|MPD|NSC 8098|PENTANE-2,4-DIOL, 2-METHYL-|Pinakon|UNII-KEH0A3F75J|a,a,a'-Trimethyltrimethylene glycol|99113-75-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021885
ERPathway2016 ERPathway2016_1099 2-Methyl-2,4-pentanediol 107-41-5 DTXSID5021885 ER Pathway Model, Antagonist Call Inactive Unitless CC(O)CC(C)(C)O 2-Methyl-2,4-pentanediol 107-41-5|2-Methyl-2,4-pentanediol|(.+-.)-2-Methyl-2,4-pentanediol|(+-)-2-Methyl-2,4-pentanediol|1,1,3-trimethyl-1,3-propanediol|1,1,3-Trimethyltrimethylenediol|1,3-dimethyl-3-hydroxybutanol|1,3,3-trimethyl-1,3-propanediol|2-Methyl pentane-2,4-diol|2-METHYL-2,4-PENTANDIOL|2-Methylpentan-2,4-diol|2-Methylpentane-2,4-diol|2-metilpentano-2,4-diol|2,4-Dihydroxy-2-methylpentane|2,4-Dihydroxy-4-methylpentane|2,4-Pentanediol, 2-methyl-|2,4-pentanediol,2-methyl|4-01-00-02565|4-Methyl-2,4-pentanediol|alpha,alpha,alpha'-trimethyltrimethylene glycol|BRN 1098298|Caswell No. 574|Diolane|EINECS 203-489-0|EPA Pesticide Chemical Code 068601|Hexylene glycol|MPD|NSC 8098|PENTANE-2,4-DIOL, 2-METHYL-|Pinakon|UNII-KEH0A3F75J|a,a,a'-Trimethyltrimethylene glycol|99113-75-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021885
ARPathway2016 ARPathway2016_1761 2-Methylaniline 95-53-4 DTXSID1026164 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(N)C=CC=C1 2-Methylaniline 95-53-4|2-Methylaniline|1-Amino-2-methylbenzene|1-Methyl-2-aminobenzene|2-Amino-1-methylbenzene|2-Aminotoluene|2-Methyl-1-aminobenzene|2-Methylbenzamine|2-Methylbenzenamine|2-Methylphenylamine|2-Toluidine|2-Tolylamine|ANILINE, 2-METHYL-|Benzenamine, 2-methyl-|EINECS 202-429-0|NSC 15348|o-Aminotoluene|o-Methylaniline|o-Methylbenzenamine|o-Toluidin|o-toluidina|o-Toluidine|o-Toluidyna|o-Tolylamine|ORTHO-TOLUIDINE|RCRA waste number U328|TOLUIDINE, O-|Toluidine, ortho-|UNII-B635MZ0ZLU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026164 https://doi.org/10.22427/NTP-DATA-DTXSID1026164
ARPathway2016 ARPathway2016_1761 2-Methylaniline 95-53-4 DTXSID1026164 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(N)C=CC=C1 2-Methylaniline 95-53-4|2-Methylaniline|1-Amino-2-methylbenzene|1-Methyl-2-aminobenzene|2-Amino-1-methylbenzene|2-Aminotoluene|2-Methyl-1-aminobenzene|2-Methylbenzamine|2-Methylbenzenamine|2-Methylphenylamine|2-Toluidine|2-Tolylamine|ANILINE, 2-METHYL-|Benzenamine, 2-methyl-|EINECS 202-429-0|NSC 15348|o-Aminotoluene|o-Methylaniline|o-Methylbenzenamine|o-Toluidin|o-toluidina|o-Toluidine|o-Toluidyna|o-Tolylamine|ORTHO-TOLUIDINE|RCRA waste number U328|TOLUIDINE, O-|Toluidine, ortho-|UNII-B635MZ0ZLU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026164 https://doi.org/10.22427/NTP-DATA-DTXSID1026164
ARPathway2016 ARPathway2016_1761 2-Methylaniline 95-53-4 DTXSID1026164 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(N)C=CC=C1 2-Methylaniline 95-53-4|2-Methylaniline|1-Amino-2-methylbenzene|1-Methyl-2-aminobenzene|2-Amino-1-methylbenzene|2-Aminotoluene|2-Methyl-1-aminobenzene|2-Methylbenzamine|2-Methylbenzenamine|2-Methylphenylamine|2-Toluidine|2-Tolylamine|ANILINE, 2-METHYL-|Benzenamine, 2-methyl-|EINECS 202-429-0|NSC 15348|o-Aminotoluene|o-Methylaniline|o-Methylbenzenamine|o-Toluidin|o-toluidina|o-Toluidine|o-Toluidyna|o-Tolylamine|ORTHO-TOLUIDINE|RCRA waste number U328|TOLUIDINE, O-|Toluidine, ortho-|UNII-B635MZ0ZLU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026164 https://doi.org/10.22427/NTP-DATA-DTXSID1026164
ARPathway2016 ARPathway2016_1761 2-Methylaniline 95-53-4 DTXSID1026164 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(N)C=CC=C1 2-Methylaniline 95-53-4|2-Methylaniline|1-Amino-2-methylbenzene|1-Methyl-2-aminobenzene|2-Amino-1-methylbenzene|2-Aminotoluene|2-Methyl-1-aminobenzene|2-Methylbenzamine|2-Methylbenzenamine|2-Methylphenylamine|2-Toluidine|2-Tolylamine|ANILINE, 2-METHYL-|Benzenamine, 2-methyl-|EINECS 202-429-0|NSC 15348|o-Aminotoluene|o-Methylaniline|o-Methylbenzenamine|o-Toluidin|o-toluidina|o-Toluidine|o-Toluidyna|o-Tolylamine|ORTHO-TOLUIDINE|RCRA waste number U328|TOLUIDINE, O-|Toluidine, ortho-|UNII-B635MZ0ZLU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026164 https://doi.org/10.22427/NTP-DATA-DTXSID1026164
ERPathway2016 ERPathway2016_1767 2-Methylaniline 95-53-4 DTXSID1026164 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(N)C=CC=C1 2-Methylaniline 95-53-4|2-Methylaniline|1-Amino-2-methylbenzene|1-Methyl-2-aminobenzene|2-Amino-1-methylbenzene|2-Aminotoluene|2-Methyl-1-aminobenzene|2-Methylbenzamine|2-Methylbenzenamine|2-Methylphenylamine|2-Toluidine|2-Tolylamine|ANILINE, 2-METHYL-|Benzenamine, 2-methyl-|EINECS 202-429-0|NSC 15348|o-Aminotoluene|o-Methylaniline|o-Methylbenzenamine|o-Toluidin|o-toluidina|o-Toluidine|o-Toluidyna|o-Tolylamine|ORTHO-TOLUIDINE|RCRA waste number U328|TOLUIDINE, O-|Toluidine, ortho-|UNII-B635MZ0ZLU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026164 https://doi.org/10.22427/NTP-DATA-DTXSID1026164
ERPathway2016 ERPathway2016_1767 2-Methylaniline 95-53-4 DTXSID1026164 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(N)C=CC=C1 2-Methylaniline 95-53-4|2-Methylaniline|1-Amino-2-methylbenzene|1-Methyl-2-aminobenzene|2-Amino-1-methylbenzene|2-Aminotoluene|2-Methyl-1-aminobenzene|2-Methylbenzamine|2-Methylbenzenamine|2-Methylphenylamine|2-Toluidine|2-Tolylamine|ANILINE, 2-METHYL-|Benzenamine, 2-methyl-|EINECS 202-429-0|NSC 15348|o-Aminotoluene|o-Methylaniline|o-Methylbenzenamine|o-Toluidin|o-toluidina|o-Toluidine|o-Toluidyna|o-Tolylamine|ORTHO-TOLUIDINE|RCRA waste number U328|TOLUIDINE, O-|Toluidine, ortho-|UNII-B635MZ0ZLU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026164 https://doi.org/10.22427/NTP-DATA-DTXSID1026164
ERPathway2016 ERPathway2016_1767 2-Methylaniline 95-53-4 DTXSID1026164 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(N)C=CC=C1 2-Methylaniline 95-53-4|2-Methylaniline|1-Amino-2-methylbenzene|1-Methyl-2-aminobenzene|2-Amino-1-methylbenzene|2-Aminotoluene|2-Methyl-1-aminobenzene|2-Methylbenzamine|2-Methylbenzenamine|2-Methylphenylamine|2-Toluidine|2-Tolylamine|ANILINE, 2-METHYL-|Benzenamine, 2-methyl-|EINECS 202-429-0|NSC 15348|o-Aminotoluene|o-Methylaniline|o-Methylbenzenamine|o-Toluidin|o-toluidina|o-Toluidine|o-Toluidyna|o-Tolylamine|ORTHO-TOLUIDINE|RCRA waste number U328|TOLUIDINE, O-|Toluidine, ortho-|UNII-B635MZ0ZLU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026164 https://doi.org/10.22427/NTP-DATA-DTXSID1026164
ERPathway2016 ERPathway2016_1767 2-Methylaniline 95-53-4 DTXSID1026164 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(N)C=CC=C1 2-Methylaniline 95-53-4|2-Methylaniline|1-Amino-2-methylbenzene|1-Methyl-2-aminobenzene|2-Amino-1-methylbenzene|2-Aminotoluene|2-Methyl-1-aminobenzene|2-Methylbenzamine|2-Methylbenzenamine|2-Methylphenylamine|2-Toluidine|2-Tolylamine|ANILINE, 2-METHYL-|Benzenamine, 2-methyl-|EINECS 202-429-0|NSC 15348|o-Aminotoluene|o-Methylaniline|o-Methylbenzenamine|o-Toluidin|o-toluidina|o-Toluidine|o-Toluidyna|o-Tolylamine|ORTHO-TOLUIDINE|RCRA waste number U328|TOLUIDINE, O-|Toluidine, ortho-|UNII-B635MZ0ZLU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026164 https://doi.org/10.22427/NTP-DATA-DTXSID1026164
ARPathway2016 ARPathway2016_1432 2-Methylaniline hydrochloride 636-21-5 DTXSID7021364 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.CC1=CC=CC=C1N 2-Methylaniline hydrochloride 636-21-5|2-Methylaniline hydrochloride|1-Amino-2-methylbenzene hydrochloride|1-Methyl-2-aminobenzene hydrochloride|2-Amino-1-methylbenzene hydrochloride|2-Aminotoluene hydrochloride|2-Methyl-1-aminobenzene hydrochloride|2-Methylaniline HCl|2-Methylbenzenamine hydrochloride|2-Toluidine hydrochloride|Benzenamine, 2-methyl-, hydrochloride (1:1)|Benzene, 2-methyl-, hydrochloride|EINECS 211-252-8|NCI-C02335|o-Aminotoluene hydrochloride|o-Methylaniline hydrochloride|o-Methylbenzenamine hydrochloride|o-Toluidin hydrochloride|o-Toluidine hydrochloride|o-Tolylamine hydrochloride|ortho-Aminotoluene hydrochloride|RCRA waste number U222|Toluene, 2-amino-, hydrochloride|UNII-DX2X117B81 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021364 https://doi.org/10.22427/NTP-DATA-DTXSID7021364
ARPathway2016 ARPathway2016_1432 2-Methylaniline hydrochloride 636-21-5 DTXSID7021364 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cl.CC1=CC=CC=C1N 2-Methylaniline hydrochloride 636-21-5|2-Methylaniline hydrochloride|1-Amino-2-methylbenzene hydrochloride|1-Methyl-2-aminobenzene hydrochloride|2-Amino-1-methylbenzene hydrochloride|2-Aminotoluene hydrochloride|2-Methyl-1-aminobenzene hydrochloride|2-Methylaniline HCl|2-Methylbenzenamine hydrochloride|2-Toluidine hydrochloride|Benzenamine, 2-methyl-, hydrochloride (1:1)|Benzene, 2-methyl-, hydrochloride|EINECS 211-252-8|NCI-C02335|o-Aminotoluene hydrochloride|o-Methylaniline hydrochloride|o-Methylbenzenamine hydrochloride|o-Toluidin hydrochloride|o-Toluidine hydrochloride|o-Tolylamine hydrochloride|ortho-Aminotoluene hydrochloride|RCRA waste number U222|Toluene, 2-amino-, hydrochloride|UNII-DX2X117B81 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021364 https://doi.org/10.22427/NTP-DATA-DTXSID7021364
ARPathway2016 ARPathway2016_1432 2-Methylaniline hydrochloride 636-21-5 DTXSID7021364 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cl.CC1=CC=CC=C1N 2-Methylaniline hydrochloride 636-21-5|2-Methylaniline hydrochloride|1-Amino-2-methylbenzene hydrochloride|1-Methyl-2-aminobenzene hydrochloride|2-Amino-1-methylbenzene hydrochloride|2-Aminotoluene hydrochloride|2-Methyl-1-aminobenzene hydrochloride|2-Methylaniline HCl|2-Methylbenzenamine hydrochloride|2-Toluidine hydrochloride|Benzenamine, 2-methyl-, hydrochloride (1:1)|Benzene, 2-methyl-, hydrochloride|EINECS 211-252-8|NCI-C02335|o-Aminotoluene hydrochloride|o-Methylaniline hydrochloride|o-Methylbenzenamine hydrochloride|o-Toluidin hydrochloride|o-Toluidine hydrochloride|o-Tolylamine hydrochloride|ortho-Aminotoluene hydrochloride|RCRA waste number U222|Toluene, 2-amino-, hydrochloride|UNII-DX2X117B81 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021364 https://doi.org/10.22427/NTP-DATA-DTXSID7021364
ARPathway2016 ARPathway2016_1432 2-Methylaniline hydrochloride 636-21-5 DTXSID7021364 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cl.CC1=CC=CC=C1N 2-Methylaniline hydrochloride 636-21-5|2-Methylaniline hydrochloride|1-Amino-2-methylbenzene hydrochloride|1-Methyl-2-aminobenzene hydrochloride|2-Amino-1-methylbenzene hydrochloride|2-Aminotoluene hydrochloride|2-Methyl-1-aminobenzene hydrochloride|2-Methylaniline HCl|2-Methylbenzenamine hydrochloride|2-Toluidine hydrochloride|Benzenamine, 2-methyl-, hydrochloride (1:1)|Benzene, 2-methyl-, hydrochloride|EINECS 211-252-8|NCI-C02335|o-Aminotoluene hydrochloride|o-Methylaniline hydrochloride|o-Methylbenzenamine hydrochloride|o-Toluidin hydrochloride|o-Toluidine hydrochloride|o-Tolylamine hydrochloride|ortho-Aminotoluene hydrochloride|RCRA waste number U222|Toluene, 2-amino-, hydrochloride|UNII-DX2X117B81 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021364 https://doi.org/10.22427/NTP-DATA-DTXSID7021364
ERPathway2016 ERPathway2016_1591 2-Methylaniline hydrochloride 636-21-5 DTXSID7021364 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CC1=CC=CC=C1N 2-Methylaniline hydrochloride 636-21-5|2-Methylaniline hydrochloride|1-Amino-2-methylbenzene hydrochloride|1-Methyl-2-aminobenzene hydrochloride|2-Amino-1-methylbenzene hydrochloride|2-Aminotoluene hydrochloride|2-Methyl-1-aminobenzene hydrochloride|2-Methylaniline HCl|2-Methylbenzenamine hydrochloride|2-Toluidine hydrochloride|Benzenamine, 2-methyl-, hydrochloride (1:1)|Benzene, 2-methyl-, hydrochloride|EINECS 211-252-8|NCI-C02335|o-Aminotoluene hydrochloride|o-Methylaniline hydrochloride|o-Methylbenzenamine hydrochloride|o-Toluidin hydrochloride|o-Toluidine hydrochloride|o-Tolylamine hydrochloride|ortho-Aminotoluene hydrochloride|RCRA waste number U222|Toluene, 2-amino-, hydrochloride|UNII-DX2X117B81 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021364 https://doi.org/10.22427/NTP-DATA-DTXSID7021364
ERPathway2016 ERPathway2016_1591 2-Methylaniline hydrochloride 636-21-5 DTXSID7021364 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CC1=CC=CC=C1N 2-Methylaniline hydrochloride 636-21-5|2-Methylaniline hydrochloride|1-Amino-2-methylbenzene hydrochloride|1-Methyl-2-aminobenzene hydrochloride|2-Amino-1-methylbenzene hydrochloride|2-Aminotoluene hydrochloride|2-Methyl-1-aminobenzene hydrochloride|2-Methylaniline HCl|2-Methylbenzenamine hydrochloride|2-Toluidine hydrochloride|Benzenamine, 2-methyl-, hydrochloride (1:1)|Benzene, 2-methyl-, hydrochloride|EINECS 211-252-8|NCI-C02335|o-Aminotoluene hydrochloride|o-Methylaniline hydrochloride|o-Methylbenzenamine hydrochloride|o-Toluidin hydrochloride|o-Toluidine hydrochloride|o-Tolylamine hydrochloride|ortho-Aminotoluene hydrochloride|RCRA waste number U222|Toluene, 2-amino-, hydrochloride|UNII-DX2X117B81 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021364 https://doi.org/10.22427/NTP-DATA-DTXSID7021364
ERPathway2016 ERPathway2016_1591 2-Methylaniline hydrochloride 636-21-5 DTXSID7021364 ER Pathway Model, Agonist Call Inactive Unitless Cl.CC1=CC=CC=C1N 2-Methylaniline hydrochloride 636-21-5|2-Methylaniline hydrochloride|1-Amino-2-methylbenzene hydrochloride|1-Methyl-2-aminobenzene hydrochloride|2-Amino-1-methylbenzene hydrochloride|2-Aminotoluene hydrochloride|2-Methyl-1-aminobenzene hydrochloride|2-Methylaniline HCl|2-Methylbenzenamine hydrochloride|2-Toluidine hydrochloride|Benzenamine, 2-methyl-, hydrochloride (1:1)|Benzene, 2-methyl-, hydrochloride|EINECS 211-252-8|NCI-C02335|o-Aminotoluene hydrochloride|o-Methylaniline hydrochloride|o-Methylbenzenamine hydrochloride|o-Toluidin hydrochloride|o-Toluidine hydrochloride|o-Tolylamine hydrochloride|ortho-Aminotoluene hydrochloride|RCRA waste number U222|Toluene, 2-amino-, hydrochloride|UNII-DX2X117B81 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021364 https://doi.org/10.22427/NTP-DATA-DTXSID7021364
ERPathway2016 ERPathway2016_1591 2-Methylaniline hydrochloride 636-21-5 DTXSID7021364 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CC1=CC=CC=C1N 2-Methylaniline hydrochloride 636-21-5|2-Methylaniline hydrochloride|1-Amino-2-methylbenzene hydrochloride|1-Methyl-2-aminobenzene hydrochloride|2-Amino-1-methylbenzene hydrochloride|2-Aminotoluene hydrochloride|2-Methyl-1-aminobenzene hydrochloride|2-Methylaniline HCl|2-Methylbenzenamine hydrochloride|2-Toluidine hydrochloride|Benzenamine, 2-methyl-, hydrochloride (1:1)|Benzene, 2-methyl-, hydrochloride|EINECS 211-252-8|NCI-C02335|o-Aminotoluene hydrochloride|o-Methylaniline hydrochloride|o-Methylbenzenamine hydrochloride|o-Toluidin hydrochloride|o-Toluidine hydrochloride|o-Tolylamine hydrochloride|ortho-Aminotoluene hydrochloride|RCRA waste number U222|Toluene, 2-amino-, hydrochloride|UNII-DX2X117B81 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021364 https://doi.org/10.22427/NTP-DATA-DTXSID7021364
ARPathway2016 ARPathway2016_1037 2-Methylbutyl isovalerate 2445-77-4 DTXSID4041440 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(C)COC(=O)CC(C)C 2-Methylbutyl isovalerate 2445-77-4|2-Methylbutyl isovalerate|2-Methylbutyl 3-methylbutanoate|2-Methylbutyl isopentanoate|2-Methylbutyl isovalerianate|Butanoic acid, 3-methyl-, 2-methylbutyl ester|EINECS 219-496-7|FEMA No. 3506|Isovaleric acid, 2-methylbutyl ester|UNII-7G5TZ5034W https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041440
ARPathway2016 ARPathway2016_1037 2-Methylbutyl isovalerate 2445-77-4 DTXSID4041440 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)COC(=O)CC(C)C 2-Methylbutyl isovalerate 2445-77-4|2-Methylbutyl isovalerate|2-Methylbutyl 3-methylbutanoate|2-Methylbutyl isopentanoate|2-Methylbutyl isovalerianate|Butanoic acid, 3-methyl-, 2-methylbutyl ester|EINECS 219-496-7|FEMA No. 3506|Isovaleric acid, 2-methylbutyl ester|UNII-7G5TZ5034W https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041440
ARPathway2016 ARPathway2016_1037 2-Methylbutyl isovalerate 2445-77-4 DTXSID4041440 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC(C)COC(=O)CC(C)C 2-Methylbutyl isovalerate 2445-77-4|2-Methylbutyl isovalerate|2-Methylbutyl 3-methylbutanoate|2-Methylbutyl isopentanoate|2-Methylbutyl isovalerianate|Butanoic acid, 3-methyl-, 2-methylbutyl ester|EINECS 219-496-7|FEMA No. 3506|Isovaleric acid, 2-methylbutyl ester|UNII-7G5TZ5034W https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041440
ARPathway2016 ARPathway2016_1037 2-Methylbutyl isovalerate 2445-77-4 DTXSID4041440 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)COC(=O)CC(C)C 2-Methylbutyl isovalerate 2445-77-4|2-Methylbutyl isovalerate|2-Methylbutyl 3-methylbutanoate|2-Methylbutyl isopentanoate|2-Methylbutyl isovalerianate|Butanoic acid, 3-methyl-, 2-methylbutyl ester|EINECS 219-496-7|FEMA No. 3506|Isovaleric acid, 2-methylbutyl ester|UNII-7G5TZ5034W https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041440
ERPathway2016 ERPathway2016_1396 2-Methylbutyl isovalerate 2445-77-4 DTXSID4041440 ER Pathway Model, Agonist Model Score 0 Unitless CCC(C)COC(=O)CC(C)C 2-Methylbutyl isovalerate 2445-77-4|2-Methylbutyl isovalerate|2-Methylbutyl 3-methylbutanoate|2-Methylbutyl isopentanoate|2-Methylbutyl isovalerianate|Butanoic acid, 3-methyl-, 2-methylbutyl ester|EINECS 219-496-7|FEMA No. 3506|Isovaleric acid, 2-methylbutyl ester|UNII-7G5TZ5034W https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041440
ERPathway2016 ERPathway2016_1396 2-Methylbutyl isovalerate 2445-77-4 DTXSID4041440 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)COC(=O)CC(C)C 2-Methylbutyl isovalerate 2445-77-4|2-Methylbutyl isovalerate|2-Methylbutyl 3-methylbutanoate|2-Methylbutyl isopentanoate|2-Methylbutyl isovalerianate|Butanoic acid, 3-methyl-, 2-methylbutyl ester|EINECS 219-496-7|FEMA No. 3506|Isovaleric acid, 2-methylbutyl ester|UNII-7G5TZ5034W https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041440
ERPathway2016 ERPathway2016_1396 2-Methylbutyl isovalerate 2445-77-4 DTXSID4041440 ER Pathway Model, Agonist Call Inactive Unitless CCC(C)COC(=O)CC(C)C 2-Methylbutyl isovalerate 2445-77-4|2-Methylbutyl isovalerate|2-Methylbutyl 3-methylbutanoate|2-Methylbutyl isopentanoate|2-Methylbutyl isovalerianate|Butanoic acid, 3-methyl-, 2-methylbutyl ester|EINECS 219-496-7|FEMA No. 3506|Isovaleric acid, 2-methylbutyl ester|UNII-7G5TZ5034W https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041440
ERPathway2016 ERPathway2016_1396 2-Methylbutyl isovalerate 2445-77-4 DTXSID4041440 ER Pathway Model, Antagonist Call Inactive Unitless CCC(C)COC(=O)CC(C)C 2-Methylbutyl isovalerate 2445-77-4|2-Methylbutyl isovalerate|2-Methylbutyl 3-methylbutanoate|2-Methylbutyl isopentanoate|2-Methylbutyl isovalerianate|Butanoic acid, 3-methyl-, 2-methylbutyl ester|EINECS 219-496-7|FEMA No. 3506|Isovaleric acid, 2-methylbutyl ester|UNII-7G5TZ5034W https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041440
ARPathway2016 ARPathway2016_1218 2-Methylpentanedinitrile 4553-62-2 DTXSID4025612 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(CCC#N)C#N 2-Methylpentanedinitrile 4553-62-2|2-Methylpentanedinitrile|1,3-Dicyanobutane|1,5-Valerodinitrile, 2-methyl-|2-Methyl-1,5-valerodinitrile|2-Methylglutaronitrile|2,4-Dicyanobutane|4-02-00-01990|alpha-Methylglutarsaeuredinitril|BRN 1741955|Diacrylonitrile|EINECS 224-923-5|Glutanonitrile, alpha-methyl-|Glutaronitrile, 2-methyl-|Pentanedinitrile, 2-methyl-|UNII-EJX3MSL725 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025612
ARPathway2016 ARPathway2016_1218 2-Methylpentanedinitrile 4553-62-2 DTXSID4025612 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(CCC#N)C#N 2-Methylpentanedinitrile 4553-62-2|2-Methylpentanedinitrile|1,3-Dicyanobutane|1,5-Valerodinitrile, 2-methyl-|2-Methyl-1,5-valerodinitrile|2-Methylglutaronitrile|2,4-Dicyanobutane|4-02-00-01990|alpha-Methylglutarsaeuredinitril|BRN 1741955|Diacrylonitrile|EINECS 224-923-5|Glutanonitrile, alpha-methyl-|Glutaronitrile, 2-methyl-|Pentanedinitrile, 2-methyl-|UNII-EJX3MSL725 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025612
ARPathway2016 ARPathway2016_1218 2-Methylpentanedinitrile 4553-62-2 DTXSID4025612 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(CCC#N)C#N 2-Methylpentanedinitrile 4553-62-2|2-Methylpentanedinitrile|1,3-Dicyanobutane|1,5-Valerodinitrile, 2-methyl-|2-Methyl-1,5-valerodinitrile|2-Methylglutaronitrile|2,4-Dicyanobutane|4-02-00-01990|alpha-Methylglutarsaeuredinitril|BRN 1741955|Diacrylonitrile|EINECS 224-923-5|Glutanonitrile, alpha-methyl-|Glutaronitrile, 2-methyl-|Pentanedinitrile, 2-methyl-|UNII-EJX3MSL725 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025612
ARPathway2016 ARPathway2016_1218 2-Methylpentanedinitrile 4553-62-2 DTXSID4025612 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(CCC#N)C#N 2-Methylpentanedinitrile 4553-62-2|2-Methylpentanedinitrile|1,3-Dicyanobutane|1,5-Valerodinitrile, 2-methyl-|2-Methyl-1,5-valerodinitrile|2-Methylglutaronitrile|2,4-Dicyanobutane|4-02-00-01990|alpha-Methylglutarsaeuredinitril|BRN 1741955|Diacrylonitrile|EINECS 224-923-5|Glutanonitrile, alpha-methyl-|Glutaronitrile, 2-methyl-|Pentanedinitrile, 2-methyl-|UNII-EJX3MSL725 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025612
ERPathway2016 ERPathway2016_1486 2-Methylpentanedinitrile 4553-62-2 DTXSID4025612 ER Pathway Model, Agonist Model Score 0 Unitless CC(CCC#N)C#N 2-Methylpentanedinitrile 4553-62-2|2-Methylpentanedinitrile|1,3-Dicyanobutane|1,5-Valerodinitrile, 2-methyl-|2-Methyl-1,5-valerodinitrile|2-Methylglutaronitrile|2,4-Dicyanobutane|4-02-00-01990|alpha-Methylglutarsaeuredinitril|BRN 1741955|Diacrylonitrile|EINECS 224-923-5|Glutanonitrile, alpha-methyl-|Glutaronitrile, 2-methyl-|Pentanedinitrile, 2-methyl-|UNII-EJX3MSL725 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025612
ERPathway2016 ERPathway2016_1486 2-Methylpentanedinitrile 4553-62-2 DTXSID4025612 ER Pathway Model, Antagonist Model Score 0 Unitless CC(CCC#N)C#N 2-Methylpentanedinitrile 4553-62-2|2-Methylpentanedinitrile|1,3-Dicyanobutane|1,5-Valerodinitrile, 2-methyl-|2-Methyl-1,5-valerodinitrile|2-Methylglutaronitrile|2,4-Dicyanobutane|4-02-00-01990|alpha-Methylglutarsaeuredinitril|BRN 1741955|Diacrylonitrile|EINECS 224-923-5|Glutanonitrile, alpha-methyl-|Glutaronitrile, 2-methyl-|Pentanedinitrile, 2-methyl-|UNII-EJX3MSL725 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025612
ERPathway2016 ERPathway2016_1486 2-Methylpentanedinitrile 4553-62-2 DTXSID4025612 ER Pathway Model, Agonist Call Inactive Unitless CC(CCC#N)C#N 2-Methylpentanedinitrile 4553-62-2|2-Methylpentanedinitrile|1,3-Dicyanobutane|1,5-Valerodinitrile, 2-methyl-|2-Methyl-1,5-valerodinitrile|2-Methylglutaronitrile|2,4-Dicyanobutane|4-02-00-01990|alpha-Methylglutarsaeuredinitril|BRN 1741955|Diacrylonitrile|EINECS 224-923-5|Glutanonitrile, alpha-methyl-|Glutaronitrile, 2-methyl-|Pentanedinitrile, 2-methyl-|UNII-EJX3MSL725 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025612
ERPathway2016 ERPathway2016_1486 2-Methylpentanedinitrile 4553-62-2 DTXSID4025612 ER Pathway Model, Antagonist Call Inactive Unitless CC(CCC#N)C#N 2-Methylpentanedinitrile 4553-62-2|2-Methylpentanedinitrile|1,3-Dicyanobutane|1,5-Valerodinitrile, 2-methyl-|2-Methyl-1,5-valerodinitrile|2-Methylglutaronitrile|2,4-Dicyanobutane|4-02-00-01990|alpha-Methylglutarsaeuredinitril|BRN 1741955|Diacrylonitrile|EINECS 224-923-5|Glutanonitrile, alpha-methyl-|Glutaronitrile, 2-methyl-|Pentanedinitrile, 2-methyl-|UNII-EJX3MSL725 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025612
ARPathway2016 ARPathway2016_1578 2-Methylpropanenitrile 78-82-0 DTXSID5026461 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C#N 2-Methylpropanenitrile 78-82-0|2-Methylpropanenitrile|1-Cyano-1-methylethane|2-Cyanopropane|2-Methylpropane nitrile|2-Methylpropionitrile|4-02-00-00853|alpha-Methylpropanenitrile|BRN 1340512|Dimethylacetonitrile|EINECS 201-147-5|Isobutanenitrile|isobutironitrilo|Isobutyronitril|isobutyronitrile|Isopropyl cyanide|Isopropyl nitrile|Isopropylkyanid|Isopropylnitrile|NSC 60536|Propanenitrile, 2-methyl-|Propanoic acid, 2-methyl-, nitrile|UN 2284|UNII-699AWF2WV2|a-Methylpropanenitrile|a-Methylpropionitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026461 https://doi.org/10.22427/NTP-DATA-DTXSID5026461
ARPathway2016 ARPathway2016_1578 2-Methylpropanenitrile 78-82-0 DTXSID5026461 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C#N 2-Methylpropanenitrile 78-82-0|2-Methylpropanenitrile|1-Cyano-1-methylethane|2-Cyanopropane|2-Methylpropane nitrile|2-Methylpropionitrile|4-02-00-00853|alpha-Methylpropanenitrile|BRN 1340512|Dimethylacetonitrile|EINECS 201-147-5|Isobutanenitrile|isobutironitrilo|Isobutyronitril|isobutyronitrile|Isopropyl cyanide|Isopropyl nitrile|Isopropylkyanid|Isopropylnitrile|NSC 60536|Propanenitrile, 2-methyl-|Propanoic acid, 2-methyl-, nitrile|UN 2284|UNII-699AWF2WV2|a-Methylpropanenitrile|a-Methylpropionitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026461 https://doi.org/10.22427/NTP-DATA-DTXSID5026461
ARPathway2016 ARPathway2016_1578 2-Methylpropanenitrile 78-82-0 DTXSID5026461 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C#N 2-Methylpropanenitrile 78-82-0|2-Methylpropanenitrile|1-Cyano-1-methylethane|2-Cyanopropane|2-Methylpropane nitrile|2-Methylpropionitrile|4-02-00-00853|alpha-Methylpropanenitrile|BRN 1340512|Dimethylacetonitrile|EINECS 201-147-5|Isobutanenitrile|isobutironitrilo|Isobutyronitril|isobutyronitrile|Isopropyl cyanide|Isopropyl nitrile|Isopropylkyanid|Isopropylnitrile|NSC 60536|Propanenitrile, 2-methyl-|Propanoic acid, 2-methyl-, nitrile|UN 2284|UNII-699AWF2WV2|a-Methylpropanenitrile|a-Methylpropionitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026461 https://doi.org/10.22427/NTP-DATA-DTXSID5026461
ARPathway2016 ARPathway2016_1578 2-Methylpropanenitrile 78-82-0 DTXSID5026461 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C#N 2-Methylpropanenitrile 78-82-0|2-Methylpropanenitrile|1-Cyano-1-methylethane|2-Cyanopropane|2-Methylpropane nitrile|2-Methylpropionitrile|4-02-00-00853|alpha-Methylpropanenitrile|BRN 1340512|Dimethylacetonitrile|EINECS 201-147-5|Isobutanenitrile|isobutironitrilo|Isobutyronitril|isobutyronitrile|Isopropyl cyanide|Isopropyl nitrile|Isopropylkyanid|Isopropylnitrile|NSC 60536|Propanenitrile, 2-methyl-|Propanoic acid, 2-methyl-, nitrile|UN 2284|UNII-699AWF2WV2|a-Methylpropanenitrile|a-Methylpropionitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026461 https://doi.org/10.22427/NTP-DATA-DTXSID5026461
ERPathway2016 ERPathway2016_1666 2-Methylpropanenitrile 78-82-0 DTXSID5026461 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)C#N 2-Methylpropanenitrile 78-82-0|2-Methylpropanenitrile|1-Cyano-1-methylethane|2-Cyanopropane|2-Methylpropane nitrile|2-Methylpropionitrile|4-02-00-00853|alpha-Methylpropanenitrile|BRN 1340512|Dimethylacetonitrile|EINECS 201-147-5|Isobutanenitrile|isobutironitrilo|Isobutyronitril|isobutyronitrile|Isopropyl cyanide|Isopropyl nitrile|Isopropylkyanid|Isopropylnitrile|NSC 60536|Propanenitrile, 2-methyl-|Propanoic acid, 2-methyl-, nitrile|UN 2284|UNII-699AWF2WV2|a-Methylpropanenitrile|a-Methylpropionitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026461 https://doi.org/10.22427/NTP-DATA-DTXSID5026461
ERPathway2016 ERPathway2016_1666 2-Methylpropanenitrile 78-82-0 DTXSID5026461 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C#N 2-Methylpropanenitrile 78-82-0|2-Methylpropanenitrile|1-Cyano-1-methylethane|2-Cyanopropane|2-Methylpropane nitrile|2-Methylpropionitrile|4-02-00-00853|alpha-Methylpropanenitrile|BRN 1340512|Dimethylacetonitrile|EINECS 201-147-5|Isobutanenitrile|isobutironitrilo|Isobutyronitril|isobutyronitrile|Isopropyl cyanide|Isopropyl nitrile|Isopropylkyanid|Isopropylnitrile|NSC 60536|Propanenitrile, 2-methyl-|Propanoic acid, 2-methyl-, nitrile|UN 2284|UNII-699AWF2WV2|a-Methylpropanenitrile|a-Methylpropionitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026461 https://doi.org/10.22427/NTP-DATA-DTXSID5026461
ERPathway2016 ERPathway2016_1666 2-Methylpropanenitrile 78-82-0 DTXSID5026461 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C#N 2-Methylpropanenitrile 78-82-0|2-Methylpropanenitrile|1-Cyano-1-methylethane|2-Cyanopropane|2-Methylpropane nitrile|2-Methylpropionitrile|4-02-00-00853|alpha-Methylpropanenitrile|BRN 1340512|Dimethylacetonitrile|EINECS 201-147-5|Isobutanenitrile|isobutironitrilo|Isobutyronitril|isobutyronitrile|Isopropyl cyanide|Isopropyl nitrile|Isopropylkyanid|Isopropylnitrile|NSC 60536|Propanenitrile, 2-methyl-|Propanoic acid, 2-methyl-, nitrile|UN 2284|UNII-699AWF2WV2|a-Methylpropanenitrile|a-Methylpropionitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026461 https://doi.org/10.22427/NTP-DATA-DTXSID5026461
ERPathway2016 ERPathway2016_1666 2-Methylpropanenitrile 78-82-0 DTXSID5026461 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)C#N 2-Methylpropanenitrile 78-82-0|2-Methylpropanenitrile|1-Cyano-1-methylethane|2-Cyanopropane|2-Methylpropane nitrile|2-Methylpropionitrile|4-02-00-00853|alpha-Methylpropanenitrile|BRN 1340512|Dimethylacetonitrile|EINECS 201-147-5|Isobutanenitrile|isobutironitrilo|Isobutyronitril|isobutyronitrile|Isopropyl cyanide|Isopropyl nitrile|Isopropylkyanid|Isopropylnitrile|NSC 60536|Propanenitrile, 2-methyl-|Propanoic acid, 2-methyl-, nitrile|UN 2284|UNII-699AWF2WV2|a-Methylpropanenitrile|a-Methylpropionitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026461 https://doi.org/10.22427/NTP-DATA-DTXSID5026461
ARPathway2016 ARPathway2016_800 2-Naphthalenol 135-19-3 DTXSID5027061 0.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC2=C(C=CC=C2)C=C1 2-Naphthalenol 135-19-3|2-Naphthalenol|2-HYDROXYNAPHTHALENE|2-naftol|2-Naftolo|2-Naphthol|2-Naphtol|Antioxygene BN|Azogen Developer A|B-Naphthol|beta-Hydroxynaphthalene|beta-Monoxynaphthalene|beta-Naftol|beta-Naftolo|BETA-NAPHTHOL|beta-Naphthyl alcohol|beta-Naphthyl hydroxide|beta-Naphtol|beta-Napthol|beta.-Hydroxynaphthalene|beta.-Naphthol|Betanaphthol|Bordeaux Base GP|C.I. Azoic Coupling Component 1|C.I. Developer 5|Caswell No. 590|Developer A|Developer AMS|Developer BN|Developer NA|Developer sodium|EINECS 205-182-7|EPA Pesticide Chemical Code 010301|Hydronaphthol|Isonaphthol|NAPHTH-2-OL|Naphthol B|NAPHTHOL, BETA|NAPHTHOL, b-|NSC 2044|NSC 5737|Trimetin|UNII-P2Z71CIK5H|860440-31-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027061
ARPathway2016 ARPathway2016_800 2-Naphthalenol 135-19-3 DTXSID5027061 0.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC2=C(C=CC=C2)C=C1 2-Naphthalenol 135-19-3|2-Naphthalenol|2-HYDROXYNAPHTHALENE|2-naftol|2-Naftolo|2-Naphthol|2-Naphtol|Antioxygene BN|Azogen Developer A|B-Naphthol|beta-Hydroxynaphthalene|beta-Monoxynaphthalene|beta-Naftol|beta-Naftolo|BETA-NAPHTHOL|beta-Naphthyl alcohol|beta-Naphthyl hydroxide|beta-Naphtol|beta-Napthol|beta.-Hydroxynaphthalene|beta.-Naphthol|Betanaphthol|Bordeaux Base GP|C.I. Azoic Coupling Component 1|C.I. Developer 5|Caswell No. 590|Developer A|Developer AMS|Developer BN|Developer NA|Developer sodium|EINECS 205-182-7|EPA Pesticide Chemical Code 010301|Hydronaphthol|Isonaphthol|NAPHTH-2-OL|Naphthol B|NAPHTHOL, BETA|NAPHTHOL, b-|NSC 2044|NSC 5737|Trimetin|UNII-P2Z71CIK5H|860440-31-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027061
ARPathway2016 ARPathway2016_800 2-Naphthalenol 135-19-3 DTXSID5027061 0.0 R5 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC2=C(C=CC=C2)C=C1 2-Naphthalenol 135-19-3|2-Naphthalenol|2-HYDROXYNAPHTHALENE|2-naftol|2-Naftolo|2-Naphthol|2-Naphtol|Antioxygene BN|Azogen Developer A|B-Naphthol|beta-Hydroxynaphthalene|beta-Monoxynaphthalene|beta-Naftol|beta-Naftolo|BETA-NAPHTHOL|beta-Naphthyl alcohol|beta-Naphthyl hydroxide|beta-Naphtol|beta-Napthol|beta.-Hydroxynaphthalene|beta.-Naphthol|Betanaphthol|Bordeaux Base GP|C.I. Azoic Coupling Component 1|C.I. Developer 5|Caswell No. 590|Developer A|Developer AMS|Developer BN|Developer NA|Developer sodium|EINECS 205-182-7|EPA Pesticide Chemical Code 010301|Hydronaphthol|Isonaphthol|NAPHTH-2-OL|Naphthol B|NAPHTHOL, BETA|NAPHTHOL, b-|NSC 2044|NSC 5737|Trimetin|UNII-P2Z71CIK5H|860440-31-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027061
ARPathway2016 ARPathway2016_800 2-Naphthalenol 135-19-3 DTXSID5027061 0.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC2=C(C=CC=C2)C=C1 2-Naphthalenol 135-19-3|2-Naphthalenol|2-HYDROXYNAPHTHALENE|2-naftol|2-Naftolo|2-Naphthol|2-Naphtol|Antioxygene BN|Azogen Developer A|B-Naphthol|beta-Hydroxynaphthalene|beta-Monoxynaphthalene|beta-Naftol|beta-Naftolo|BETA-NAPHTHOL|beta-Naphthyl alcohol|beta-Naphthyl hydroxide|beta-Naphtol|beta-Napthol|beta.-Hydroxynaphthalene|beta.-Naphthol|Betanaphthol|Bordeaux Base GP|C.I. Azoic Coupling Component 1|C.I. Developer 5|Caswell No. 590|Developer A|Developer AMS|Developer BN|Developer NA|Developer sodium|EINECS 205-182-7|EPA Pesticide Chemical Code 010301|Hydronaphthol|Isonaphthol|NAPHTH-2-OL|Naphthol B|NAPHTHOL, BETA|NAPHTHOL, b-|NSC 2044|NSC 5737|Trimetin|UNII-P2Z71CIK5H|860440-31-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027061
ERPathway2016 ERPathway2016_247 2-Naphthalenol 135-19-3 DTXSID5027061 ER Pathway Model, Antagonist AC50 46.014553587878 uM OC1=CC2=C(C=CC=C2)C=C1 2-Naphthalenol 135-19-3|2-Naphthalenol|2-HYDROXYNAPHTHALENE|2-naftol|2-Naftolo|2-Naphthol|2-Naphtol|Antioxygene BN|Azogen Developer A|B-Naphthol|beta-Hydroxynaphthalene|beta-Monoxynaphthalene|beta-Naftol|beta-Naftolo|BETA-NAPHTHOL|beta-Naphthyl alcohol|beta-Naphthyl hydroxide|beta-Naphtol|beta-Napthol|beta.-Hydroxynaphthalene|beta.-Naphthol|Betanaphthol|Bordeaux Base GP|C.I. Azoic Coupling Component 1|C.I. Developer 5|Caswell No. 590|Developer A|Developer AMS|Developer BN|Developer NA|Developer sodium|EINECS 205-182-7|EPA Pesticide Chemical Code 010301|Hydronaphthol|Isonaphthol|NAPHTH-2-OL|Naphthol B|NAPHTHOL, BETA|NAPHTHOL, b-|NSC 2044|NSC 5737|Trimetin|UNII-P2Z71CIK5H|860440-31-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027061
ERPathway2016 ERPathway2016_247 2-Naphthalenol 135-19-3 DTXSID5027061 ER Pathway Model, Antagonist ACC 22.4415221419953 uM OC1=CC2=C(C=CC=C2)C=C1 2-Naphthalenol 135-19-3|2-Naphthalenol|2-HYDROXYNAPHTHALENE|2-naftol|2-Naftolo|2-Naphthol|2-Naphtol|Antioxygene BN|Azogen Developer A|B-Naphthol|beta-Hydroxynaphthalene|beta-Monoxynaphthalene|beta-Naftol|beta-Naftolo|BETA-NAPHTHOL|beta-Naphthyl alcohol|beta-Naphthyl hydroxide|beta-Naphtol|beta-Napthol|beta.-Hydroxynaphthalene|beta.-Naphthol|Betanaphthol|Bordeaux Base GP|C.I. Azoic Coupling Component 1|C.I. Developer 5|Caswell No. 590|Developer A|Developer AMS|Developer BN|Developer NA|Developer sodium|EINECS 205-182-7|EPA Pesticide Chemical Code 010301|Hydronaphthol|Isonaphthol|NAPHTH-2-OL|Naphthol B|NAPHTHOL, BETA|NAPHTHOL, b-|NSC 2044|NSC 5737|Trimetin|UNII-P2Z71CIK5H|860440-31-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027061
ERPathway2016 ERPathway2016_247 2-Naphthalenol 135-19-3 DTXSID5027061 ER Pathway Model, Agonist Model Score 0.0874 Unitless OC1=CC2=C(C=CC=C2)C=C1 2-Naphthalenol 135-19-3|2-Naphthalenol|2-HYDROXYNAPHTHALENE|2-naftol|2-Naftolo|2-Naphthol|2-Naphtol|Antioxygene BN|Azogen Developer A|B-Naphthol|beta-Hydroxynaphthalene|beta-Monoxynaphthalene|beta-Naftol|beta-Naftolo|BETA-NAPHTHOL|beta-Naphthyl alcohol|beta-Naphthyl hydroxide|beta-Naphtol|beta-Napthol|beta.-Hydroxynaphthalene|beta.-Naphthol|Betanaphthol|Bordeaux Base GP|C.I. Azoic Coupling Component 1|C.I. Developer 5|Caswell No. 590|Developer A|Developer AMS|Developer BN|Developer NA|Developer sodium|EINECS 205-182-7|EPA Pesticide Chemical Code 010301|Hydronaphthol|Isonaphthol|NAPHTH-2-OL|Naphthol B|NAPHTHOL, BETA|NAPHTHOL, b-|NSC 2044|NSC 5737|Trimetin|UNII-P2Z71CIK5H|860440-31-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027061
ERPathway2016 ERPathway2016_247 2-Naphthalenol 135-19-3 DTXSID5027061 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC2=C(C=CC=C2)C=C1 2-Naphthalenol 135-19-3|2-Naphthalenol|2-HYDROXYNAPHTHALENE|2-naftol|2-Naftolo|2-Naphthol|2-Naphtol|Antioxygene BN|Azogen Developer A|B-Naphthol|beta-Hydroxynaphthalene|beta-Monoxynaphthalene|beta-Naftol|beta-Naftolo|BETA-NAPHTHOL|beta-Naphthyl alcohol|beta-Naphthyl hydroxide|beta-Naphtol|beta-Napthol|beta.-Hydroxynaphthalene|beta.-Naphthol|Betanaphthol|Bordeaux Base GP|C.I. Azoic Coupling Component 1|C.I. Developer 5|Caswell No. 590|Developer A|Developer AMS|Developer BN|Developer NA|Developer sodium|EINECS 205-182-7|EPA Pesticide Chemical Code 010301|Hydronaphthol|Isonaphthol|NAPHTH-2-OL|Naphthol B|NAPHTHOL, BETA|NAPHTHOL, b-|NSC 2044|NSC 5737|Trimetin|UNII-P2Z71CIK5H|860440-31-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027061
ERPathway2016 ERPathway2016_247 2-Naphthalenol 135-19-3 DTXSID5027061 ER Pathway Model, Agonist Call Inactive Unitless OC1=CC2=C(C=CC=C2)C=C1 2-Naphthalenol 135-19-3|2-Naphthalenol|2-HYDROXYNAPHTHALENE|2-naftol|2-Naftolo|2-Naphthol|2-Naphtol|Antioxygene BN|Azogen Developer A|B-Naphthol|beta-Hydroxynaphthalene|beta-Monoxynaphthalene|beta-Naftol|beta-Naftolo|BETA-NAPHTHOL|beta-Naphthyl alcohol|beta-Naphthyl hydroxide|beta-Naphtol|beta-Napthol|beta.-Hydroxynaphthalene|beta.-Naphthol|Betanaphthol|Bordeaux Base GP|C.I. Azoic Coupling Component 1|C.I. Developer 5|Caswell No. 590|Developer A|Developer AMS|Developer BN|Developer NA|Developer sodium|EINECS 205-182-7|EPA Pesticide Chemical Code 010301|Hydronaphthol|Isonaphthol|NAPHTH-2-OL|Naphthol B|NAPHTHOL, BETA|NAPHTHOL, b-|NSC 2044|NSC 5737|Trimetin|UNII-P2Z71CIK5H|860440-31-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027061
ERPathway2016 ERPathway2016_247 2-Naphthalenol 135-19-3 DTXSID5027061 ER Pathway Model, Antagonist Call Active Unitless OC1=CC2=C(C=CC=C2)C=C1 2-Naphthalenol 135-19-3|2-Naphthalenol|2-HYDROXYNAPHTHALENE|2-naftol|2-Naftolo|2-Naphthol|2-Naphtol|Antioxygene BN|Azogen Developer A|B-Naphthol|beta-Hydroxynaphthalene|beta-Monoxynaphthalene|beta-Naftol|beta-Naftolo|BETA-NAPHTHOL|beta-Naphthyl alcohol|beta-Naphthyl hydroxide|beta-Naphtol|beta-Napthol|beta.-Hydroxynaphthalene|beta.-Naphthol|Betanaphthol|Bordeaux Base GP|C.I. Azoic Coupling Component 1|C.I. Developer 5|Caswell No. 590|Developer A|Developer AMS|Developer BN|Developer NA|Developer sodium|EINECS 205-182-7|EPA Pesticide Chemical Code 010301|Hydronaphthol|Isonaphthol|NAPHTH-2-OL|Naphthol B|NAPHTHOL, BETA|NAPHTHOL, b-|NSC 2044|NSC 5737|Trimetin|UNII-P2Z71CIK5H|860440-31-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027061
ARPathway2016 ARPathway2016_1711 2-Naphthylamine 91-59-8 DTXSID2020921 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC2=C(C=CC=C2)C=C1 2-Naphthylamine 91-59-8|2-Naphthylamine|2-Aminonaftalen|2-Aminonaphthalene|2-naftilamina|2-Naftylamin|2-Naftylamine|2-Naphthalamine|2-Naphthalenamine|2-Naphthylamin|2-Naphthylamine mustard|2-naphtylamine|6-naphthylamine|beta-Naftalamin|Beta-naftalina|beta-naftilamina|beta-Naftylamin|beta-Naftyloamina|beta-Naphthylamin|beta-Naphthylamine|BNA|EINECS 202-080-4|Fast scarlet base B|Naphthalen-2-ylamine|Naphthalene, 2-amino-|NAPHTHYL-2-AMINE|NAPHTHYLAMIN, B-|Naphthylamine, 2-|o-Aminonaphthalene|RCRA waste number U168|UN 1650|UN3411|UNII-CKR7XL41N4|b-Aminonaphthalene|b-Naphthalenamine|b-NAPHTHYLAMINE https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020921 https://doi.org/10.22427/NTP-DATA-DTXSID2020921
ARPathway2016 ARPathway2016_1711 2-Naphthylamine 91-59-8 DTXSID2020921 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=CC2=C(C=CC=C2)C=C1 2-Naphthylamine 91-59-8|2-Naphthylamine|2-Aminonaftalen|2-Aminonaphthalene|2-naftilamina|2-Naftylamin|2-Naftylamine|2-Naphthalamine|2-Naphthalenamine|2-Naphthylamin|2-Naphthylamine mustard|2-naphtylamine|6-naphthylamine|beta-Naftalamin|Beta-naftalina|beta-naftilamina|beta-Naftylamin|beta-Naftyloamina|beta-Naphthylamin|beta-Naphthylamine|BNA|EINECS 202-080-4|Fast scarlet base B|Naphthalen-2-ylamine|Naphthalene, 2-amino-|NAPHTHYL-2-AMINE|NAPHTHYLAMIN, B-|Naphthylamine, 2-|o-Aminonaphthalene|RCRA waste number U168|UN 1650|UN3411|UNII-CKR7XL41N4|b-Aminonaphthalene|b-Naphthalenamine|b-NAPHTHYLAMINE https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020921 https://doi.org/10.22427/NTP-DATA-DTXSID2020921
ARPathway2016 ARPathway2016_1711 2-Naphthylamine 91-59-8 DTXSID2020921 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC2=C(C=CC=C2)C=C1 2-Naphthylamine 91-59-8|2-Naphthylamine|2-Aminonaftalen|2-Aminonaphthalene|2-naftilamina|2-Naftylamin|2-Naftylamine|2-Naphthalamine|2-Naphthalenamine|2-Naphthylamin|2-Naphthylamine mustard|2-naphtylamine|6-naphthylamine|beta-Naftalamin|Beta-naftalina|beta-naftilamina|beta-Naftylamin|beta-Naftyloamina|beta-Naphthylamin|beta-Naphthylamine|BNA|EINECS 202-080-4|Fast scarlet base B|Naphthalen-2-ylamine|Naphthalene, 2-amino-|NAPHTHYL-2-AMINE|NAPHTHYLAMIN, B-|Naphthylamine, 2-|o-Aminonaphthalene|RCRA waste number U168|UN 1650|UN3411|UNII-CKR7XL41N4|b-Aminonaphthalene|b-Naphthalenamine|b-NAPHTHYLAMINE https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020921 https://doi.org/10.22427/NTP-DATA-DTXSID2020921
ARPathway2016 ARPathway2016_1711 2-Naphthylamine 91-59-8 DTXSID2020921 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC2=C(C=CC=C2)C=C1 2-Naphthylamine 91-59-8|2-Naphthylamine|2-Aminonaftalen|2-Aminonaphthalene|2-naftilamina|2-Naftylamin|2-Naftylamine|2-Naphthalamine|2-Naphthalenamine|2-Naphthylamin|2-Naphthylamine mustard|2-naphtylamine|6-naphthylamine|beta-Naftalamin|Beta-naftalina|beta-naftilamina|beta-Naftylamin|beta-Naftyloamina|beta-Naphthylamin|beta-Naphthylamine|BNA|EINECS 202-080-4|Fast scarlet base B|Naphthalen-2-ylamine|Naphthalene, 2-amino-|NAPHTHYL-2-AMINE|NAPHTHYLAMIN, B-|Naphthylamine, 2-|o-Aminonaphthalene|RCRA waste number U168|UN 1650|UN3411|UNII-CKR7XL41N4|b-Aminonaphthalene|b-Naphthalenamine|b-NAPHTHYLAMINE https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020921 https://doi.org/10.22427/NTP-DATA-DTXSID2020921
ERPathway2016 ERPathway2016_1740 2-Naphthylamine 91-59-8 DTXSID2020921 ER Pathway Model, Agonist Model Score 0 Unitless NC1=CC2=C(C=CC=C2)C=C1 2-Naphthylamine 91-59-8|2-Naphthylamine|2-Aminonaftalen|2-Aminonaphthalene|2-naftilamina|2-Naftylamin|2-Naftylamine|2-Naphthalamine|2-Naphthalenamine|2-Naphthylamin|2-Naphthylamine mustard|2-naphtylamine|6-naphthylamine|beta-Naftalamin|Beta-naftalina|beta-naftilamina|beta-Naftylamin|beta-Naftyloamina|beta-Naphthylamin|beta-Naphthylamine|BNA|EINECS 202-080-4|Fast scarlet base B|Naphthalen-2-ylamine|Naphthalene, 2-amino-|NAPHTHYL-2-AMINE|NAPHTHYLAMIN, B-|Naphthylamine, 2-|o-Aminonaphthalene|RCRA waste number U168|UN 1650|UN3411|UNII-CKR7XL41N4|b-Aminonaphthalene|b-Naphthalenamine|b-NAPHTHYLAMINE https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020921 https://doi.org/10.22427/NTP-DATA-DTXSID2020921
ERPathway2016 ERPathway2016_1740 2-Naphthylamine 91-59-8 DTXSID2020921 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC2=C(C=CC=C2)C=C1 2-Naphthylamine 91-59-8|2-Naphthylamine|2-Aminonaftalen|2-Aminonaphthalene|2-naftilamina|2-Naftylamin|2-Naftylamine|2-Naphthalamine|2-Naphthalenamine|2-Naphthylamin|2-Naphthylamine mustard|2-naphtylamine|6-naphthylamine|beta-Naftalamin|Beta-naftalina|beta-naftilamina|beta-Naftylamin|beta-Naftyloamina|beta-Naphthylamin|beta-Naphthylamine|BNA|EINECS 202-080-4|Fast scarlet base B|Naphthalen-2-ylamine|Naphthalene, 2-amino-|NAPHTHYL-2-AMINE|NAPHTHYLAMIN, B-|Naphthylamine, 2-|o-Aminonaphthalene|RCRA waste number U168|UN 1650|UN3411|UNII-CKR7XL41N4|b-Aminonaphthalene|b-Naphthalenamine|b-NAPHTHYLAMINE https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020921 https://doi.org/10.22427/NTP-DATA-DTXSID2020921
ERPathway2016 ERPathway2016_1740 2-Naphthylamine 91-59-8 DTXSID2020921 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC2=C(C=CC=C2)C=C1 2-Naphthylamine 91-59-8|2-Naphthylamine|2-Aminonaftalen|2-Aminonaphthalene|2-naftilamina|2-Naftylamin|2-Naftylamine|2-Naphthalamine|2-Naphthalenamine|2-Naphthylamin|2-Naphthylamine mustard|2-naphtylamine|6-naphthylamine|beta-Naftalamin|Beta-naftalina|beta-naftilamina|beta-Naftylamin|beta-Naftyloamina|beta-Naphthylamin|beta-Naphthylamine|BNA|EINECS 202-080-4|Fast scarlet base B|Naphthalen-2-ylamine|Naphthalene, 2-amino-|NAPHTHYL-2-AMINE|NAPHTHYLAMIN, B-|Naphthylamine, 2-|o-Aminonaphthalene|RCRA waste number U168|UN 1650|UN3411|UNII-CKR7XL41N4|b-Aminonaphthalene|b-Naphthalenamine|b-NAPHTHYLAMINE https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020921 https://doi.org/10.22427/NTP-DATA-DTXSID2020921
ERPathway2016 ERPathway2016_1740 2-Naphthylamine 91-59-8 DTXSID2020921 ER Pathway Model, Antagonist Call Inactive Unitless NC1=CC2=C(C=CC=C2)C=C1 2-Naphthylamine 91-59-8|2-Naphthylamine|2-Aminonaftalen|2-Aminonaphthalene|2-naftilamina|2-Naftylamin|2-Naftylamine|2-Naphthalamine|2-Naphthalenamine|2-Naphthylamin|2-Naphthylamine mustard|2-naphtylamine|6-naphthylamine|beta-Naftalamin|Beta-naftalina|beta-naftilamina|beta-Naftylamin|beta-Naftyloamina|beta-Naphthylamin|beta-Naphthylamine|BNA|EINECS 202-080-4|Fast scarlet base B|Naphthalen-2-ylamine|Naphthalene, 2-amino-|NAPHTHYL-2-AMINE|NAPHTHYLAMIN, B-|Naphthylamine, 2-|o-Aminonaphthalene|RCRA waste number U168|UN 1650|UN3411|UNII-CKR7XL41N4|b-Aminonaphthalene|b-Naphthalenamine|b-NAPHTHYLAMINE https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020921 https://doi.org/10.22427/NTP-DATA-DTXSID2020921
ARPathway2016 ARPathway2016_1684 2-Nitrobenzenamine 88-74-4 DTXSID1025726 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=CC=C1[N+]([O-])=O 2-Nitrobenzenamine 88-74-4|2-Nitrobenzenamine|1-Amino-2-nitrobenzene|1-Nitro-2-aminobenzene|2-Aminonitrobenzene|2-Nitroanilin|2-nitroanilina|2-Nitroaniline|2-Nitrobenzenamine|2-Nitrophenylamine|ANILINE, 2-NITRO-|Aniline, o-nitro-|Azoene Fast Orange GR Base|Azoene Fast Orange GR Salt|Azofix Orange GR Salt|Azogene Fast Orange GR|Azoic Diazo Component 6|Benzenamine, 2-nitro-|Brentamine Fast Orange GR Base|Brentamine Fast Orange GR Salt|C.I. Azoic Diazo Component 6|CI Azoic Diazo Component 6|Devol Orange B|Devol Orange Salt B|Diazo Fast Orange GR|EINECS 201-855-4|Fast Orange Base GR|Fast Orange Base JR|Fast Orange GR Base|Fast Orange GR Salt|Fast Orange O Base|Fast Orange O Salt|Fast Orange Salt GR|Fast Orange Salt JR|Hiltonil Fast Orange GR Base|Hiltosal Fast Orange GR Salt|Hindasol Orange GR Salt|Natasol Fast Orange GR Salt|NSC 9796|o-Aminonitrobenzene|o-Nitraniline|o-Nitroaniline|o-Nitrobenzenamine|o-Nitrophenylamine|Orange Base Ciba II|Orange Base Irga II|Orange GRS Salt|Orange Salt Ciba II|Orange Salt Irga II|Orthonitroaniline|UNII-2519U0541L https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025726 https://doi.org/10.22427/NTP-DATA-DTXSID1025726
ARPathway2016 ARPathway2016_1684 2-Nitrobenzenamine 88-74-4 DTXSID1025726 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=CC=CC=C1[N+]([O-])=O 2-Nitrobenzenamine 88-74-4|2-Nitrobenzenamine|1-Amino-2-nitrobenzene|1-Nitro-2-aminobenzene|2-Aminonitrobenzene|2-Nitroanilin|2-nitroanilina|2-Nitroaniline|2-Nitrobenzenamine|2-Nitrophenylamine|ANILINE, 2-NITRO-|Aniline, o-nitro-|Azoene Fast Orange GR Base|Azoene Fast Orange GR Salt|Azofix Orange GR Salt|Azogene Fast Orange GR|Azoic Diazo Component 6|Benzenamine, 2-nitro-|Brentamine Fast Orange GR Base|Brentamine Fast Orange GR Salt|C.I. Azoic Diazo Component 6|CI Azoic Diazo Component 6|Devol Orange B|Devol Orange Salt B|Diazo Fast Orange GR|EINECS 201-855-4|Fast Orange Base GR|Fast Orange Base JR|Fast Orange GR Base|Fast Orange GR Salt|Fast Orange O Base|Fast Orange O Salt|Fast Orange Salt GR|Fast Orange Salt JR|Hiltonil Fast Orange GR Base|Hiltosal Fast Orange GR Salt|Hindasol Orange GR Salt|Natasol Fast Orange GR Salt|NSC 9796|o-Aminonitrobenzene|o-Nitraniline|o-Nitroaniline|o-Nitrobenzenamine|o-Nitrophenylamine|Orange Base Ciba II|Orange Base Irga II|Orange GRS Salt|Orange Salt Ciba II|Orange Salt Irga II|Orthonitroaniline|UNII-2519U0541L https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025726 https://doi.org/10.22427/NTP-DATA-DTXSID1025726
ARPathway2016 ARPathway2016_1684 2-Nitrobenzenamine 88-74-4 DTXSID1025726 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC=CC=C1[N+]([O-])=O 2-Nitrobenzenamine 88-74-4|2-Nitrobenzenamine|1-Amino-2-nitrobenzene|1-Nitro-2-aminobenzene|2-Aminonitrobenzene|2-Nitroanilin|2-nitroanilina|2-Nitroaniline|2-Nitrobenzenamine|2-Nitrophenylamine|ANILINE, 2-NITRO-|Aniline, o-nitro-|Azoene Fast Orange GR Base|Azoene Fast Orange GR Salt|Azofix Orange GR Salt|Azogene Fast Orange GR|Azoic Diazo Component 6|Benzenamine, 2-nitro-|Brentamine Fast Orange GR Base|Brentamine Fast Orange GR Salt|C.I. Azoic Diazo Component 6|CI Azoic Diazo Component 6|Devol Orange B|Devol Orange Salt B|Diazo Fast Orange GR|EINECS 201-855-4|Fast Orange Base GR|Fast Orange Base JR|Fast Orange GR Base|Fast Orange GR Salt|Fast Orange O Base|Fast Orange O Salt|Fast Orange Salt GR|Fast Orange Salt JR|Hiltonil Fast Orange GR Base|Hiltosal Fast Orange GR Salt|Hindasol Orange GR Salt|Natasol Fast Orange GR Salt|NSC 9796|o-Aminonitrobenzene|o-Nitraniline|o-Nitroaniline|o-Nitrobenzenamine|o-Nitrophenylamine|Orange Base Ciba II|Orange Base Irga II|Orange GRS Salt|Orange Salt Ciba II|Orange Salt Irga II|Orthonitroaniline|UNII-2519U0541L https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025726 https://doi.org/10.22427/NTP-DATA-DTXSID1025726
ARPathway2016 ARPathway2016_1684 2-Nitrobenzenamine 88-74-4 DTXSID1025726 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC=CC=C1[N+]([O-])=O 2-Nitrobenzenamine 88-74-4|2-Nitrobenzenamine|1-Amino-2-nitrobenzene|1-Nitro-2-aminobenzene|2-Aminonitrobenzene|2-Nitroanilin|2-nitroanilina|2-Nitroaniline|2-Nitrobenzenamine|2-Nitrophenylamine|ANILINE, 2-NITRO-|Aniline, o-nitro-|Azoene Fast Orange GR Base|Azoene Fast Orange GR Salt|Azofix Orange GR Salt|Azogene Fast Orange GR|Azoic Diazo Component 6|Benzenamine, 2-nitro-|Brentamine Fast Orange GR Base|Brentamine Fast Orange GR Salt|C.I. Azoic Diazo Component 6|CI Azoic Diazo Component 6|Devol Orange B|Devol Orange Salt B|Diazo Fast Orange GR|EINECS 201-855-4|Fast Orange Base GR|Fast Orange Base JR|Fast Orange GR Base|Fast Orange GR Salt|Fast Orange O Base|Fast Orange O Salt|Fast Orange Salt GR|Fast Orange Salt JR|Hiltonil Fast Orange GR Base|Hiltosal Fast Orange GR Salt|Hindasol Orange GR Salt|Natasol Fast Orange GR Salt|NSC 9796|o-Aminonitrobenzene|o-Nitraniline|o-Nitroaniline|o-Nitrobenzenamine|o-Nitrophenylamine|Orange Base Ciba II|Orange Base Irga II|Orange GRS Salt|Orange Salt Ciba II|Orange Salt Irga II|Orthonitroaniline|UNII-2519U0541L https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025726 https://doi.org/10.22427/NTP-DATA-DTXSID1025726
ERPathway2016 ERPathway2016_949 2-Nitrobenzenamine 88-74-4 DTXSID1025726 ER Pathway Model, Agonist Model Score 0 Unitless NC1=CC=CC=C1[N+]([O-])=O 2-Nitrobenzenamine 88-74-4|2-Nitrobenzenamine|1-Amino-2-nitrobenzene|1-Nitro-2-aminobenzene|2-Aminonitrobenzene|2-Nitroanilin|2-nitroanilina|2-Nitroaniline|2-Nitrobenzenamine|2-Nitrophenylamine|ANILINE, 2-NITRO-|Aniline, o-nitro-|Azoene Fast Orange GR Base|Azoene Fast Orange GR Salt|Azofix Orange GR Salt|Azogene Fast Orange GR|Azoic Diazo Component 6|Benzenamine, 2-nitro-|Brentamine Fast Orange GR Base|Brentamine Fast Orange GR Salt|C.I. Azoic Diazo Component 6|CI Azoic Diazo Component 6|Devol Orange B|Devol Orange Salt B|Diazo Fast Orange GR|EINECS 201-855-4|Fast Orange Base GR|Fast Orange Base JR|Fast Orange GR Base|Fast Orange GR Salt|Fast Orange O Base|Fast Orange O Salt|Fast Orange Salt GR|Fast Orange Salt JR|Hiltonil Fast Orange GR Base|Hiltosal Fast Orange GR Salt|Hindasol Orange GR Salt|Natasol Fast Orange GR Salt|NSC 9796|o-Aminonitrobenzene|o-Nitraniline|o-Nitroaniline|o-Nitrobenzenamine|o-Nitrophenylamine|Orange Base Ciba II|Orange Base Irga II|Orange GRS Salt|Orange Salt Ciba II|Orange Salt Irga II|Orthonitroaniline|UNII-2519U0541L https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025726 https://doi.org/10.22427/NTP-DATA-DTXSID1025726
ERPathway2016 ERPathway2016_949 2-Nitrobenzenamine 88-74-4 DTXSID1025726 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=CC=C1[N+]([O-])=O 2-Nitrobenzenamine 88-74-4|2-Nitrobenzenamine|1-Amino-2-nitrobenzene|1-Nitro-2-aminobenzene|2-Aminonitrobenzene|2-Nitroanilin|2-nitroanilina|2-Nitroaniline|2-Nitrobenzenamine|2-Nitrophenylamine|ANILINE, 2-NITRO-|Aniline, o-nitro-|Azoene Fast Orange GR Base|Azoene Fast Orange GR Salt|Azofix Orange GR Salt|Azogene Fast Orange GR|Azoic Diazo Component 6|Benzenamine, 2-nitro-|Brentamine Fast Orange GR Base|Brentamine Fast Orange GR Salt|C.I. Azoic Diazo Component 6|CI Azoic Diazo Component 6|Devol Orange B|Devol Orange Salt B|Diazo Fast Orange GR|EINECS 201-855-4|Fast Orange Base GR|Fast Orange Base JR|Fast Orange GR Base|Fast Orange GR Salt|Fast Orange O Base|Fast Orange O Salt|Fast Orange Salt GR|Fast Orange Salt JR|Hiltonil Fast Orange GR Base|Hiltosal Fast Orange GR Salt|Hindasol Orange GR Salt|Natasol Fast Orange GR Salt|NSC 9796|o-Aminonitrobenzene|o-Nitraniline|o-Nitroaniline|o-Nitrobenzenamine|o-Nitrophenylamine|Orange Base Ciba II|Orange Base Irga II|Orange GRS Salt|Orange Salt Ciba II|Orange Salt Irga II|Orthonitroaniline|UNII-2519U0541L https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025726 https://doi.org/10.22427/NTP-DATA-DTXSID1025726
ERPathway2016 ERPathway2016_949 2-Nitrobenzenamine 88-74-4 DTXSID1025726 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC=CC=C1[N+]([O-])=O 2-Nitrobenzenamine 88-74-4|2-Nitrobenzenamine|1-Amino-2-nitrobenzene|1-Nitro-2-aminobenzene|2-Aminonitrobenzene|2-Nitroanilin|2-nitroanilina|2-Nitroaniline|2-Nitrobenzenamine|2-Nitrophenylamine|ANILINE, 2-NITRO-|Aniline, o-nitro-|Azoene Fast Orange GR Base|Azoene Fast Orange GR Salt|Azofix Orange GR Salt|Azogene Fast Orange GR|Azoic Diazo Component 6|Benzenamine, 2-nitro-|Brentamine Fast Orange GR Base|Brentamine Fast Orange GR Salt|C.I. Azoic Diazo Component 6|CI Azoic Diazo Component 6|Devol Orange B|Devol Orange Salt B|Diazo Fast Orange GR|EINECS 201-855-4|Fast Orange Base GR|Fast Orange Base JR|Fast Orange GR Base|Fast Orange GR Salt|Fast Orange O Base|Fast Orange O Salt|Fast Orange Salt GR|Fast Orange Salt JR|Hiltonil Fast Orange GR Base|Hiltosal Fast Orange GR Salt|Hindasol Orange GR Salt|Natasol Fast Orange GR Salt|NSC 9796|o-Aminonitrobenzene|o-Nitraniline|o-Nitroaniline|o-Nitrobenzenamine|o-Nitrophenylamine|Orange Base Ciba II|Orange Base Irga II|Orange GRS Salt|Orange Salt Ciba II|Orange Salt Irga II|Orthonitroaniline|UNII-2519U0541L https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025726 https://doi.org/10.22427/NTP-DATA-DTXSID1025726
ERPathway2016 ERPathway2016_949 2-Nitrobenzenamine 88-74-4 DTXSID1025726 ER Pathway Model, Antagonist Call Inactive Unitless NC1=CC=CC=C1[N+]([O-])=O 2-Nitrobenzenamine 88-74-4|2-Nitrobenzenamine|1-Amino-2-nitrobenzene|1-Nitro-2-aminobenzene|2-Aminonitrobenzene|2-Nitroanilin|2-nitroanilina|2-Nitroaniline|2-Nitrobenzenamine|2-Nitrophenylamine|ANILINE, 2-NITRO-|Aniline, o-nitro-|Azoene Fast Orange GR Base|Azoene Fast Orange GR Salt|Azofix Orange GR Salt|Azogene Fast Orange GR|Azoic Diazo Component 6|Benzenamine, 2-nitro-|Brentamine Fast Orange GR Base|Brentamine Fast Orange GR Salt|C.I. Azoic Diazo Component 6|CI Azoic Diazo Component 6|Devol Orange B|Devol Orange Salt B|Diazo Fast Orange GR|EINECS 201-855-4|Fast Orange Base GR|Fast Orange Base JR|Fast Orange GR Base|Fast Orange GR Salt|Fast Orange O Base|Fast Orange O Salt|Fast Orange Salt GR|Fast Orange Salt JR|Hiltonil Fast Orange GR Base|Hiltosal Fast Orange GR Salt|Hindasol Orange GR Salt|Natasol Fast Orange GR Salt|NSC 9796|o-Aminonitrobenzene|o-Nitraniline|o-Nitroaniline|o-Nitrobenzenamine|o-Nitrophenylamine|Orange Base Ciba II|Orange Base Irga II|Orange GRS Salt|Orange Salt Ciba II|Orange Salt Irga II|Orthonitroaniline|UNII-2519U0541L https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025726 https://doi.org/10.22427/NTP-DATA-DTXSID1025726
ARPathway2016 ARPathway2016_1685 2-Nitrophenol 88-75-5 DTXSID1021790 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=C(C=CC=C1)[N+]([O-])=O 2-Nitrophenol 88-75-5|2-Nitrophenol|2-Hydroxynitrobenzene|2-nitrofenol|EINECS 201-857-5|NSC 1552|o-Hydroxynitrobenzene|o-Nitrofenol|o-Nitrophenol|Phenol, 2-nitro-|Phenol, o-nitro-|UNII-BD148E95KD https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021790 https://doi.org/10.22427/NTP-DATA-DTXSID1021790
ARPathway2016 ARPathway2016_1685 2-Nitrophenol 88-75-5 DTXSID1021790 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1=C(C=CC=C1)[N+]([O-])=O 2-Nitrophenol 88-75-5|2-Nitrophenol|2-Hydroxynitrobenzene|2-nitrofenol|EINECS 201-857-5|NSC 1552|o-Hydroxynitrobenzene|o-Nitrofenol|o-Nitrophenol|Phenol, 2-nitro-|Phenol, o-nitro-|UNII-BD148E95KD https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021790 https://doi.org/10.22427/NTP-DATA-DTXSID1021790
ARPathway2016 ARPathway2016_1685 2-Nitrophenol 88-75-5 DTXSID1021790 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1=C(C=CC=C1)[N+]([O-])=O 2-Nitrophenol 88-75-5|2-Nitrophenol|2-Hydroxynitrobenzene|2-nitrofenol|EINECS 201-857-5|NSC 1552|o-Hydroxynitrobenzene|o-Nitrofenol|o-Nitrophenol|Phenol, 2-nitro-|Phenol, o-nitro-|UNII-BD148E95KD https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021790 https://doi.org/10.22427/NTP-DATA-DTXSID1021790
ARPathway2016 ARPathway2016_1685 2-Nitrophenol 88-75-5 DTXSID1021790 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(C=CC=C1)[N+]([O-])=O 2-Nitrophenol 88-75-5|2-Nitrophenol|2-Hydroxynitrobenzene|2-nitrofenol|EINECS 201-857-5|NSC 1552|o-Hydroxynitrobenzene|o-Nitrofenol|o-Nitrophenol|Phenol, 2-nitro-|Phenol, o-nitro-|UNII-BD148E95KD https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021790 https://doi.org/10.22427/NTP-DATA-DTXSID1021790
ERPathway2016 ERPathway2016_701 2-Nitrophenol 88-75-5 DTXSID1021790 A3 ER Pathway Model, Agonist Model Score 0 Unitless OC1=C(C=CC=C1)[N+]([O-])=O 2-Nitrophenol 88-75-5|2-Nitrophenol|2-Hydroxynitrobenzene|2-nitrofenol|EINECS 201-857-5|NSC 1552|o-Hydroxynitrobenzene|o-Nitrofenol|o-Nitrophenol|Phenol, 2-nitro-|Phenol, o-nitro-|UNII-BD148E95KD https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021790 https://doi.org/10.22427/NTP-DATA-DTXSID1021790
ERPathway2016 ERPathway2016_701 2-Nitrophenol 88-75-5 DTXSID1021790 A3 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C(C=CC=C1)[N+]([O-])=O 2-Nitrophenol 88-75-5|2-Nitrophenol|2-Hydroxynitrobenzene|2-nitrofenol|EINECS 201-857-5|NSC 1552|o-Hydroxynitrobenzene|o-Nitrofenol|o-Nitrophenol|Phenol, 2-nitro-|Phenol, o-nitro-|UNII-BD148E95KD https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021790 https://doi.org/10.22427/NTP-DATA-DTXSID1021790
ERPathway2016 ERPathway2016_701 2-Nitrophenol 88-75-5 DTXSID1021790 A3 ER Pathway Model, Agonist Call Inactive Unitless OC1=C(C=CC=C1)[N+]([O-])=O 2-Nitrophenol 88-75-5|2-Nitrophenol|2-Hydroxynitrobenzene|2-nitrofenol|EINECS 201-857-5|NSC 1552|o-Hydroxynitrobenzene|o-Nitrofenol|o-Nitrophenol|Phenol, 2-nitro-|Phenol, o-nitro-|UNII-BD148E95KD https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021790 https://doi.org/10.22427/NTP-DATA-DTXSID1021790
ERPathway2016 ERPathway2016_701 2-Nitrophenol 88-75-5 DTXSID1021790 A3 ER Pathway Model, Antagonist Call Inactive Unitless OC1=C(C=CC=C1)[N+]([O-])=O 2-Nitrophenol 88-75-5|2-Nitrophenol|2-Hydroxynitrobenzene|2-nitrofenol|EINECS 201-857-5|NSC 1552|o-Hydroxynitrobenzene|o-Nitrofenol|o-Nitrophenol|Phenol, 2-nitro-|Phenol, o-nitro-|UNII-BD148E95KD https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021790 https://doi.org/10.22427/NTP-DATA-DTXSID1021790
ARPathway2016 ARPathway2016_1683 2-Nitrotoluene 88-72-2 DTXSID4025791 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=CC=C1[N+]([O-])=O 2-Nitrotoluene 88-72-2|2-Nitrotoluene|1-Methyl-2-nitrobenzene|2-Methyl-1-nitrobenzene|2-Methylnitrobenzene|2-nitrotolueno|2-Nitrotoluol|Benzene, 1-methyl-2-nitro|Benzene, 1-methyl-2-nitro-|EINECS 201-853-3|NSC 9577|o-Methylnitrobenzene|o-Mononitrotoluene|o-Nitrotoluene|o-Nitrotoluol|o-NT|ONT|ortho-Nitrotoluol|TOLUENE, 2-NITRO-|Toluene, o-nitro-|UNII-6Q9N88YIAY|57158-05-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025791 https://doi.org/10.22427/NTP-DATA-DTXSID4025791
ARPathway2016 ARPathway2016_1683 2-Nitrotoluene 88-72-2 DTXSID4025791 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=CC=C1[N+]([O-])=O 2-Nitrotoluene 88-72-2|2-Nitrotoluene|1-Methyl-2-nitrobenzene|2-Methyl-1-nitrobenzene|2-Methylnitrobenzene|2-nitrotolueno|2-Nitrotoluol|Benzene, 1-methyl-2-nitro|Benzene, 1-methyl-2-nitro-|EINECS 201-853-3|NSC 9577|o-Methylnitrobenzene|o-Mononitrotoluene|o-Nitrotoluene|o-Nitrotoluol|o-NT|ONT|ortho-Nitrotoluol|TOLUENE, 2-NITRO-|Toluene, o-nitro-|UNII-6Q9N88YIAY|57158-05-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025791 https://doi.org/10.22427/NTP-DATA-DTXSID4025791
ARPathway2016 ARPathway2016_1683 2-Nitrotoluene 88-72-2 DTXSID4025791 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=CC=C1[N+]([O-])=O 2-Nitrotoluene 88-72-2|2-Nitrotoluene|1-Methyl-2-nitrobenzene|2-Methyl-1-nitrobenzene|2-Methylnitrobenzene|2-nitrotolueno|2-Nitrotoluol|Benzene, 1-methyl-2-nitro|Benzene, 1-methyl-2-nitro-|EINECS 201-853-3|NSC 9577|o-Methylnitrobenzene|o-Mononitrotoluene|o-Nitrotoluene|o-Nitrotoluol|o-NT|ONT|ortho-Nitrotoluol|TOLUENE, 2-NITRO-|Toluene, o-nitro-|UNII-6Q9N88YIAY|57158-05-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025791 https://doi.org/10.22427/NTP-DATA-DTXSID4025791
ARPathway2016 ARPathway2016_1683 2-Nitrotoluene 88-72-2 DTXSID4025791 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=CC=C1[N+]([O-])=O 2-Nitrotoluene 88-72-2|2-Nitrotoluene|1-Methyl-2-nitrobenzene|2-Methyl-1-nitrobenzene|2-Methylnitrobenzene|2-nitrotolueno|2-Nitrotoluol|Benzene, 1-methyl-2-nitro|Benzene, 1-methyl-2-nitro-|EINECS 201-853-3|NSC 9577|o-Methylnitrobenzene|o-Mononitrotoluene|o-Nitrotoluene|o-Nitrotoluol|o-NT|ONT|ortho-Nitrotoluol|TOLUENE, 2-NITRO-|Toluene, o-nitro-|UNII-6Q9N88YIAY|57158-05-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025791 https://doi.org/10.22427/NTP-DATA-DTXSID4025791
ERPathway2016 ERPathway2016_1724 2-Nitrotoluene 88-72-2 DTXSID4025791 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=CC=C1[N+]([O-])=O 2-Nitrotoluene 88-72-2|2-Nitrotoluene|1-Methyl-2-nitrobenzene|2-Methyl-1-nitrobenzene|2-Methylnitrobenzene|2-nitrotolueno|2-Nitrotoluol|Benzene, 1-methyl-2-nitro|Benzene, 1-methyl-2-nitro-|EINECS 201-853-3|NSC 9577|o-Methylnitrobenzene|o-Mononitrotoluene|o-Nitrotoluene|o-Nitrotoluol|o-NT|ONT|ortho-Nitrotoluol|TOLUENE, 2-NITRO-|Toluene, o-nitro-|UNII-6Q9N88YIAY|57158-05-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025791 https://doi.org/10.22427/NTP-DATA-DTXSID4025791
ERPathway2016 ERPathway2016_1724 2-Nitrotoluene 88-72-2 DTXSID4025791 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=CC=C1[N+]([O-])=O 2-Nitrotoluene 88-72-2|2-Nitrotoluene|1-Methyl-2-nitrobenzene|2-Methyl-1-nitrobenzene|2-Methylnitrobenzene|2-nitrotolueno|2-Nitrotoluol|Benzene, 1-methyl-2-nitro|Benzene, 1-methyl-2-nitro-|EINECS 201-853-3|NSC 9577|o-Methylnitrobenzene|o-Mononitrotoluene|o-Nitrotoluene|o-Nitrotoluol|o-NT|ONT|ortho-Nitrotoluol|TOLUENE, 2-NITRO-|Toluene, o-nitro-|UNII-6Q9N88YIAY|57158-05-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025791 https://doi.org/10.22427/NTP-DATA-DTXSID4025791
ERPathway2016 ERPathway2016_1724 2-Nitrotoluene 88-72-2 DTXSID4025791 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=CC=C1[N+]([O-])=O 2-Nitrotoluene 88-72-2|2-Nitrotoluene|1-Methyl-2-nitrobenzene|2-Methyl-1-nitrobenzene|2-Methylnitrobenzene|2-nitrotolueno|2-Nitrotoluol|Benzene, 1-methyl-2-nitro|Benzene, 1-methyl-2-nitro-|EINECS 201-853-3|NSC 9577|o-Methylnitrobenzene|o-Mononitrotoluene|o-Nitrotoluene|o-Nitrotoluol|o-NT|ONT|ortho-Nitrotoluol|TOLUENE, 2-NITRO-|Toluene, o-nitro-|UNII-6Q9N88YIAY|57158-05-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025791 https://doi.org/10.22427/NTP-DATA-DTXSID4025791
ERPathway2016 ERPathway2016_1724 2-Nitrotoluene 88-72-2 DTXSID4025791 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=CC=C1[N+]([O-])=O 2-Nitrotoluene 88-72-2|2-Nitrotoluene|1-Methyl-2-nitrobenzene|2-Methyl-1-nitrobenzene|2-Methylnitrobenzene|2-nitrotolueno|2-Nitrotoluol|Benzene, 1-methyl-2-nitro|Benzene, 1-methyl-2-nitro-|EINECS 201-853-3|NSC 9577|o-Methylnitrobenzene|o-Mononitrotoluene|o-Nitrotoluene|o-Nitrotoluol|o-NT|ONT|ortho-Nitrotoluol|TOLUENE, 2-NITRO-|Toluene, o-nitro-|UNII-6Q9N88YIAY|57158-05-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025791 https://doi.org/10.22427/NTP-DATA-DTXSID4025791
ARPathway2016 ARPathway2016_1625 2-Norbornene-5,6-dicarboxylic anhydride 826-62-0 DTXSID0047456 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C1OC(=O)C2C3CC(C=C3)C12 2-Norbornene-5,6-dicarboxylic anhydride 826-62-0|2-Norbornene-5,6-dicarboxylic anhydride|1,3-Cyclopentadiene, compd. with 2,5-furandione (1:1)|3,6-Endomethylenephthalic anhydride, 1,2,3,6-tetrahydro-|3,6-Endomethylenetetrahydrophthalic anhydride|3,6-Methylene-1,2,3,6-tetrahydrophthalic anhydride|4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-|5-Norbornene-2,3-dicarboxylic acid anhydride|5-Norbornene-2,3-dicarboxylic anhydride|Anhydrid kyseliny 3,6-endomethylen-delta(sup 4)-tetrahydroftalove|cis-3,6-Endomethylene-1,2,3,6-tetrahydropthalic anhydride|Cyclopentadiene-maleic anhydride adduct|EINECS 212-557-9|Endomethylenetetrahydrophthalic anhydride|Methylenetetrahydrophthalic anhydride|Norbornenedicarboxylic acid anhydride|NSC 3999|66075-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047456
ARPathway2016 ARPathway2016_1625 2-Norbornene-5,6-dicarboxylic anhydride 826-62-0 DTXSID0047456 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C1OC(=O)C2C3CC(C=C3)C12 2-Norbornene-5,6-dicarboxylic anhydride 826-62-0|2-Norbornene-5,6-dicarboxylic anhydride|1,3-Cyclopentadiene, compd. with 2,5-furandione (1:1)|3,6-Endomethylenephthalic anhydride, 1,2,3,6-tetrahydro-|3,6-Endomethylenetetrahydrophthalic anhydride|3,6-Methylene-1,2,3,6-tetrahydrophthalic anhydride|4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-|5-Norbornene-2,3-dicarboxylic acid anhydride|5-Norbornene-2,3-dicarboxylic anhydride|Anhydrid kyseliny 3,6-endomethylen-delta(sup 4)-tetrahydroftalove|cis-3,6-Endomethylene-1,2,3,6-tetrahydropthalic anhydride|Cyclopentadiene-maleic anhydride adduct|EINECS 212-557-9|Endomethylenetetrahydrophthalic anhydride|Methylenetetrahydrophthalic anhydride|Norbornenedicarboxylic acid anhydride|NSC 3999|66075-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047456
ARPathway2016 ARPathway2016_1625 2-Norbornene-5,6-dicarboxylic anhydride 826-62-0 DTXSID0047456 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C1OC(=O)C2C3CC(C=C3)C12 2-Norbornene-5,6-dicarboxylic anhydride 826-62-0|2-Norbornene-5,6-dicarboxylic anhydride|1,3-Cyclopentadiene, compd. with 2,5-furandione (1:1)|3,6-Endomethylenephthalic anhydride, 1,2,3,6-tetrahydro-|3,6-Endomethylenetetrahydrophthalic anhydride|3,6-Methylene-1,2,3,6-tetrahydrophthalic anhydride|4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-|5-Norbornene-2,3-dicarboxylic acid anhydride|5-Norbornene-2,3-dicarboxylic anhydride|Anhydrid kyseliny 3,6-endomethylen-delta(sup 4)-tetrahydroftalove|cis-3,6-Endomethylene-1,2,3,6-tetrahydropthalic anhydride|Cyclopentadiene-maleic anhydride adduct|EINECS 212-557-9|Endomethylenetetrahydrophthalic anhydride|Methylenetetrahydrophthalic anhydride|Norbornenedicarboxylic acid anhydride|NSC 3999|66075-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047456
ARPathway2016 ARPathway2016_1625 2-Norbornene-5,6-dicarboxylic anhydride 826-62-0 DTXSID0047456 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C1OC(=O)C2C3CC(C=C3)C12 2-Norbornene-5,6-dicarboxylic anhydride 826-62-0|2-Norbornene-5,6-dicarboxylic anhydride|1,3-Cyclopentadiene, compd. with 2,5-furandione (1:1)|3,6-Endomethylenephthalic anhydride, 1,2,3,6-tetrahydro-|3,6-Endomethylenetetrahydrophthalic anhydride|3,6-Methylene-1,2,3,6-tetrahydrophthalic anhydride|4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-|5-Norbornene-2,3-dicarboxylic acid anhydride|5-Norbornene-2,3-dicarboxylic anhydride|Anhydrid kyseliny 3,6-endomethylen-delta(sup 4)-tetrahydroftalove|cis-3,6-Endomethylene-1,2,3,6-tetrahydropthalic anhydride|Cyclopentadiene-maleic anhydride adduct|EINECS 212-557-9|Endomethylenetetrahydrophthalic anhydride|Methylenetetrahydrophthalic anhydride|Norbornenedicarboxylic acid anhydride|NSC 3999|66075-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047456
ERPathway2016 ERPathway2016_1694 2-Norbornene-5,6-dicarboxylic anhydride 826-62-0 DTXSID0047456 ER Pathway Model, Agonist Model Score 0 Unitless O=C1OC(=O)C2C3CC(C=C3)C12 2-Norbornene-5,6-dicarboxylic anhydride 826-62-0|2-Norbornene-5,6-dicarboxylic anhydride|1,3-Cyclopentadiene, compd. with 2,5-furandione (1:1)|3,6-Endomethylenephthalic anhydride, 1,2,3,6-tetrahydro-|3,6-Endomethylenetetrahydrophthalic anhydride|3,6-Methylene-1,2,3,6-tetrahydrophthalic anhydride|4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-|5-Norbornene-2,3-dicarboxylic acid anhydride|5-Norbornene-2,3-dicarboxylic anhydride|Anhydrid kyseliny 3,6-endomethylen-delta(sup 4)-tetrahydroftalove|cis-3,6-Endomethylene-1,2,3,6-tetrahydropthalic anhydride|Cyclopentadiene-maleic anhydride adduct|EINECS 212-557-9|Endomethylenetetrahydrophthalic anhydride|Methylenetetrahydrophthalic anhydride|Norbornenedicarboxylic acid anhydride|NSC 3999|66075-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047456
ERPathway2016 ERPathway2016_1694 2-Norbornene-5,6-dicarboxylic anhydride 826-62-0 DTXSID0047456 ER Pathway Model, Antagonist Model Score 0 Unitless O=C1OC(=O)C2C3CC(C=C3)C12 2-Norbornene-5,6-dicarboxylic anhydride 826-62-0|2-Norbornene-5,6-dicarboxylic anhydride|1,3-Cyclopentadiene, compd. with 2,5-furandione (1:1)|3,6-Endomethylenephthalic anhydride, 1,2,3,6-tetrahydro-|3,6-Endomethylenetetrahydrophthalic anhydride|3,6-Methylene-1,2,3,6-tetrahydrophthalic anhydride|4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-|5-Norbornene-2,3-dicarboxylic acid anhydride|5-Norbornene-2,3-dicarboxylic anhydride|Anhydrid kyseliny 3,6-endomethylen-delta(sup 4)-tetrahydroftalove|cis-3,6-Endomethylene-1,2,3,6-tetrahydropthalic anhydride|Cyclopentadiene-maleic anhydride adduct|EINECS 212-557-9|Endomethylenetetrahydrophthalic anhydride|Methylenetetrahydrophthalic anhydride|Norbornenedicarboxylic acid anhydride|NSC 3999|66075-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047456
ERPathway2016 ERPathway2016_1694 2-Norbornene-5,6-dicarboxylic anhydride 826-62-0 DTXSID0047456 ER Pathway Model, Agonist Call Inactive Unitless O=C1OC(=O)C2C3CC(C=C3)C12 2-Norbornene-5,6-dicarboxylic anhydride 826-62-0|2-Norbornene-5,6-dicarboxylic anhydride|1,3-Cyclopentadiene, compd. with 2,5-furandione (1:1)|3,6-Endomethylenephthalic anhydride, 1,2,3,6-tetrahydro-|3,6-Endomethylenetetrahydrophthalic anhydride|3,6-Methylene-1,2,3,6-tetrahydrophthalic anhydride|4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-|5-Norbornene-2,3-dicarboxylic acid anhydride|5-Norbornene-2,3-dicarboxylic anhydride|Anhydrid kyseliny 3,6-endomethylen-delta(sup 4)-tetrahydroftalove|cis-3,6-Endomethylene-1,2,3,6-tetrahydropthalic anhydride|Cyclopentadiene-maleic anhydride adduct|EINECS 212-557-9|Endomethylenetetrahydrophthalic anhydride|Methylenetetrahydrophthalic anhydride|Norbornenedicarboxylic acid anhydride|NSC 3999|66075-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047456
ERPathway2016 ERPathway2016_1694 2-Norbornene-5,6-dicarboxylic anhydride 826-62-0 DTXSID0047456 ER Pathway Model, Antagonist Call Inactive Unitless O=C1OC(=O)C2C3CC(C=C3)C12 2-Norbornene-5,6-dicarboxylic anhydride 826-62-0|2-Norbornene-5,6-dicarboxylic anhydride|1,3-Cyclopentadiene, compd. with 2,5-furandione (1:1)|3,6-Endomethylenephthalic anhydride, 1,2,3,6-tetrahydro-|3,6-Endomethylenetetrahydrophthalic anhydride|3,6-Methylene-1,2,3,6-tetrahydrophthalic anhydride|4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-|5-Norbornene-2,3-dicarboxylic acid anhydride|5-Norbornene-2,3-dicarboxylic anhydride|Anhydrid kyseliny 3,6-endomethylen-delta(sup 4)-tetrahydroftalove|cis-3,6-Endomethylene-1,2,3,6-tetrahydropthalic anhydride|Cyclopentadiene-maleic anhydride adduct|EINECS 212-557-9|Endomethylenetetrahydrophthalic anhydride|Methylenetetrahydrophthalic anhydride|Norbornenedicarboxylic acid anhydride|NSC 3999|66075-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047456
ARPathway2016 ARPathway2016_726 2-Octanol 123-96-6 DTXSID0027014 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC(C)O 2-Octanol 123-96-6|2-Octanol|(.+-.)-2-Octanol|(RS)-2-Octanol|1-Methyl-1-heptanol|1-Methylheptanol|1-Methylheptyl alcohol|2-Hydroxy-n-octane|2-Hydroxyoctane|2-Octanol (+-)|2-Octyl alcohol|beta-octyl alcohol|Capryl alcohol|Caprylic alcohol, secondary|DL-2-Octanol|dl-Methylhexylcarbinol|EINECS 204-667-0|EINECS 223-938-4|FEMA No. 2801|FEMA Number 2801|hexyl methyl carbinol|Hexylmethylcarbinol|methyl hexyl carbinol|Methylhexylcarbinol|n-Octan-2-ol|NSC 14759|octane-2-ol|s-Octyl alcohol|sec-Caprylic alcohol|sec-octyl alcohol|secondary caprylic alcohol|UNII-66B0DD5E40|b-Octyl alcohol|113244-40-9|4128-31-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027014
ARPathway2016 ARPathway2016_726 2-Octanol 123-96-6 DTXSID0027014 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCC(C)O 2-Octanol 123-96-6|2-Octanol|(.+-.)-2-Octanol|(RS)-2-Octanol|1-Methyl-1-heptanol|1-Methylheptanol|1-Methylheptyl alcohol|2-Hydroxy-n-octane|2-Hydroxyoctane|2-Octanol (+-)|2-Octyl alcohol|beta-octyl alcohol|Capryl alcohol|Caprylic alcohol, secondary|DL-2-Octanol|dl-Methylhexylcarbinol|EINECS 204-667-0|EINECS 223-938-4|FEMA No. 2801|FEMA Number 2801|hexyl methyl carbinol|Hexylmethylcarbinol|methyl hexyl carbinol|Methylhexylcarbinol|n-Octan-2-ol|NSC 14759|octane-2-ol|s-Octyl alcohol|sec-Caprylic alcohol|sec-octyl alcohol|secondary caprylic alcohol|UNII-66B0DD5E40|b-Octyl alcohol|113244-40-9|4128-31-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027014
ARPathway2016 ARPathway2016_726 2-Octanol 123-96-6 DTXSID0027014 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCC(C)O 2-Octanol 123-96-6|2-Octanol|(.+-.)-2-Octanol|(RS)-2-Octanol|1-Methyl-1-heptanol|1-Methylheptanol|1-Methylheptyl alcohol|2-Hydroxy-n-octane|2-Hydroxyoctane|2-Octanol (+-)|2-Octyl alcohol|beta-octyl alcohol|Capryl alcohol|Caprylic alcohol, secondary|DL-2-Octanol|dl-Methylhexylcarbinol|EINECS 204-667-0|EINECS 223-938-4|FEMA No. 2801|FEMA Number 2801|hexyl methyl carbinol|Hexylmethylcarbinol|methyl hexyl carbinol|Methylhexylcarbinol|n-Octan-2-ol|NSC 14759|octane-2-ol|s-Octyl alcohol|sec-Caprylic alcohol|sec-octyl alcohol|secondary caprylic alcohol|UNII-66B0DD5E40|b-Octyl alcohol|113244-40-9|4128-31-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027014
ARPathway2016 ARPathway2016_726 2-Octanol 123-96-6 DTXSID0027014 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCC(C)O 2-Octanol 123-96-6|2-Octanol|(.+-.)-2-Octanol|(RS)-2-Octanol|1-Methyl-1-heptanol|1-Methylheptanol|1-Methylheptyl alcohol|2-Hydroxy-n-octane|2-Hydroxyoctane|2-Octanol (+-)|2-Octyl alcohol|beta-octyl alcohol|Capryl alcohol|Caprylic alcohol, secondary|DL-2-Octanol|dl-Methylhexylcarbinol|EINECS 204-667-0|EINECS 223-938-4|FEMA No. 2801|FEMA Number 2801|hexyl methyl carbinol|Hexylmethylcarbinol|methyl hexyl carbinol|Methylhexylcarbinol|n-Octan-2-ol|NSC 14759|octane-2-ol|s-Octyl alcohol|sec-Caprylic alcohol|sec-octyl alcohol|secondary caprylic alcohol|UNII-66B0DD5E40|b-Octyl alcohol|113244-40-9|4128-31-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027014
ERPathway2016 ERPathway2016_1239 2-Octanol 123-96-6 DTXSID0027014 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCC(C)O 2-Octanol 123-96-6|2-Octanol|(.+-.)-2-Octanol|(RS)-2-Octanol|1-Methyl-1-heptanol|1-Methylheptanol|1-Methylheptyl alcohol|2-Hydroxy-n-octane|2-Hydroxyoctane|2-Octanol (+-)|2-Octyl alcohol|beta-octyl alcohol|Capryl alcohol|Caprylic alcohol, secondary|DL-2-Octanol|dl-Methylhexylcarbinol|EINECS 204-667-0|EINECS 223-938-4|FEMA No. 2801|FEMA Number 2801|hexyl methyl carbinol|Hexylmethylcarbinol|methyl hexyl carbinol|Methylhexylcarbinol|n-Octan-2-ol|NSC 14759|octane-2-ol|s-Octyl alcohol|sec-Caprylic alcohol|sec-octyl alcohol|secondary caprylic alcohol|UNII-66B0DD5E40|b-Octyl alcohol|113244-40-9|4128-31-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027014
ERPathway2016 ERPathway2016_1239 2-Octanol 123-96-6 DTXSID0027014 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC(C)O 2-Octanol 123-96-6|2-Octanol|(.+-.)-2-Octanol|(RS)-2-Octanol|1-Methyl-1-heptanol|1-Methylheptanol|1-Methylheptyl alcohol|2-Hydroxy-n-octane|2-Hydroxyoctane|2-Octanol (+-)|2-Octyl alcohol|beta-octyl alcohol|Capryl alcohol|Caprylic alcohol, secondary|DL-2-Octanol|dl-Methylhexylcarbinol|EINECS 204-667-0|EINECS 223-938-4|FEMA No. 2801|FEMA Number 2801|hexyl methyl carbinol|Hexylmethylcarbinol|methyl hexyl carbinol|Methylhexylcarbinol|n-Octan-2-ol|NSC 14759|octane-2-ol|s-Octyl alcohol|sec-Caprylic alcohol|sec-octyl alcohol|secondary caprylic alcohol|UNII-66B0DD5E40|b-Octyl alcohol|113244-40-9|4128-31-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027014
ERPathway2016 ERPathway2016_1239 2-Octanol 123-96-6 DTXSID0027014 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCC(C)O 2-Octanol 123-96-6|2-Octanol|(.+-.)-2-Octanol|(RS)-2-Octanol|1-Methyl-1-heptanol|1-Methylheptanol|1-Methylheptyl alcohol|2-Hydroxy-n-octane|2-Hydroxyoctane|2-Octanol (+-)|2-Octyl alcohol|beta-octyl alcohol|Capryl alcohol|Caprylic alcohol, secondary|DL-2-Octanol|dl-Methylhexylcarbinol|EINECS 204-667-0|EINECS 223-938-4|FEMA No. 2801|FEMA Number 2801|hexyl methyl carbinol|Hexylmethylcarbinol|methyl hexyl carbinol|Methylhexylcarbinol|n-Octan-2-ol|NSC 14759|octane-2-ol|s-Octyl alcohol|sec-Caprylic alcohol|sec-octyl alcohol|secondary caprylic alcohol|UNII-66B0DD5E40|b-Octyl alcohol|113244-40-9|4128-31-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027014
ERPathway2016 ERPathway2016_1239 2-Octanol 123-96-6 DTXSID0027014 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCC(C)O 2-Octanol 123-96-6|2-Octanol|(.+-.)-2-Octanol|(RS)-2-Octanol|1-Methyl-1-heptanol|1-Methylheptanol|1-Methylheptyl alcohol|2-Hydroxy-n-octane|2-Hydroxyoctane|2-Octanol (+-)|2-Octyl alcohol|beta-octyl alcohol|Capryl alcohol|Caprylic alcohol, secondary|DL-2-Octanol|dl-Methylhexylcarbinol|EINECS 204-667-0|EINECS 223-938-4|FEMA No. 2801|FEMA Number 2801|hexyl methyl carbinol|Hexylmethylcarbinol|methyl hexyl carbinol|Methylhexylcarbinol|n-Octan-2-ol|NSC 14759|octane-2-ol|s-Octyl alcohol|sec-Caprylic alcohol|sec-octyl alcohol|secondary caprylic alcohol|UNII-66B0DD5E40|b-Octyl alcohol|113244-40-9|4128-31-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027014
ARPathway2016 ARPathway2016_1291 2-Octyl-1-dodecanol 5333-42-6 DTXSID3036288 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCC(CO)CCCCCCCC 2-Octyl-1-dodecanol 5333-42-6|2-Octyl-1-dodecanol|1-Dodecanol, 2-octyl-|2-octildodecan-1-ol|2-Octyldodecan-1-ol|2-octyldodecane-1-ol|2-OCTYLDODECANOL|2-Octyldodecyl alcohol|3-01-00-01844|BRN 1763479|DODECAN-1-OL, 2-OCTYL-|EINECS 226-242-9|Eutanol G|Fine Oxocol 2000|Guerbet C20|Kalcohl 200G|Kalcohl 200GD|NSC 2405|Rilanit G 20|Risonol 20SP|Standamul G|UNII-461N1O614Y|114265-32-6|123897-20-1|125200-13-7|179606-99-6|8039-11-0|84286-57-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036288
ARPathway2016 ARPathway2016_1291 2-Octyl-1-dodecanol 5333-42-6 DTXSID3036288 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCC(CO)CCCCCCCC 2-Octyl-1-dodecanol 5333-42-6|2-Octyl-1-dodecanol|1-Dodecanol, 2-octyl-|2-octildodecan-1-ol|2-Octyldodecan-1-ol|2-octyldodecane-1-ol|2-OCTYLDODECANOL|2-Octyldodecyl alcohol|3-01-00-01844|BRN 1763479|DODECAN-1-OL, 2-OCTYL-|EINECS 226-242-9|Eutanol G|Fine Oxocol 2000|Guerbet C20|Kalcohl 200G|Kalcohl 200GD|NSC 2405|Rilanit G 20|Risonol 20SP|Standamul G|UNII-461N1O614Y|114265-32-6|123897-20-1|125200-13-7|179606-99-6|8039-11-0|84286-57-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036288
ARPathway2016 ARPathway2016_1291 2-Octyl-1-dodecanol 5333-42-6 DTXSID3036288 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCC(CO)CCCCCCCC 2-Octyl-1-dodecanol 5333-42-6|2-Octyl-1-dodecanol|1-Dodecanol, 2-octyl-|2-octildodecan-1-ol|2-Octyldodecan-1-ol|2-octyldodecane-1-ol|2-OCTYLDODECANOL|2-Octyldodecyl alcohol|3-01-00-01844|BRN 1763479|DODECAN-1-OL, 2-OCTYL-|EINECS 226-242-9|Eutanol G|Fine Oxocol 2000|Guerbet C20|Kalcohl 200G|Kalcohl 200GD|NSC 2405|Rilanit G 20|Risonol 20SP|Standamul G|UNII-461N1O614Y|114265-32-6|123897-20-1|125200-13-7|179606-99-6|8039-11-0|84286-57-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036288
ARPathway2016 ARPathway2016_1291 2-Octyl-1-dodecanol 5333-42-6 DTXSID3036288 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCC(CO)CCCCCCCC 2-Octyl-1-dodecanol 5333-42-6|2-Octyl-1-dodecanol|1-Dodecanol, 2-octyl-|2-octildodecan-1-ol|2-Octyldodecan-1-ol|2-octyldodecane-1-ol|2-OCTYLDODECANOL|2-Octyldodecyl alcohol|3-01-00-01844|BRN 1763479|DODECAN-1-OL, 2-OCTYL-|EINECS 226-242-9|Eutanol G|Fine Oxocol 2000|Guerbet C20|Kalcohl 200G|Kalcohl 200GD|NSC 2405|Rilanit G 20|Risonol 20SP|Standamul G|UNII-461N1O614Y|114265-32-6|123897-20-1|125200-13-7|179606-99-6|8039-11-0|84286-57-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036288
ERPathway2016 ERPathway2016_757 2-Octyl-1-dodecanol 5333-42-6 DTXSID3036288 A3 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCC(CO)CCCCCCCC 2-Octyl-1-dodecanol 5333-42-6|2-Octyl-1-dodecanol|1-Dodecanol, 2-octyl-|2-octildodecan-1-ol|2-Octyldodecan-1-ol|2-octyldodecane-1-ol|2-OCTYLDODECANOL|2-Octyldodecyl alcohol|3-01-00-01844|BRN 1763479|DODECAN-1-OL, 2-OCTYL-|EINECS 226-242-9|Eutanol G|Fine Oxocol 2000|Guerbet C20|Kalcohl 200G|Kalcohl 200GD|NSC 2405|Rilanit G 20|Risonol 20SP|Standamul G|UNII-461N1O614Y|114265-32-6|123897-20-1|125200-13-7|179606-99-6|8039-11-0|84286-57-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036288
ERPathway2016 ERPathway2016_757 2-Octyl-1-dodecanol 5333-42-6 DTXSID3036288 A3 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCC(CO)CCCCCCCC 2-Octyl-1-dodecanol 5333-42-6|2-Octyl-1-dodecanol|1-Dodecanol, 2-octyl-|2-octildodecan-1-ol|2-Octyldodecan-1-ol|2-octyldodecane-1-ol|2-OCTYLDODECANOL|2-Octyldodecyl alcohol|3-01-00-01844|BRN 1763479|DODECAN-1-OL, 2-OCTYL-|EINECS 226-242-9|Eutanol G|Fine Oxocol 2000|Guerbet C20|Kalcohl 200G|Kalcohl 200GD|NSC 2405|Rilanit G 20|Risonol 20SP|Standamul G|UNII-461N1O614Y|114265-32-6|123897-20-1|125200-13-7|179606-99-6|8039-11-0|84286-57-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036288
ERPathway2016 ERPathway2016_757 2-Octyl-1-dodecanol 5333-42-6 DTXSID3036288 A3 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCC(CO)CCCCCCCC 2-Octyl-1-dodecanol 5333-42-6|2-Octyl-1-dodecanol|1-Dodecanol, 2-octyl-|2-octildodecan-1-ol|2-Octyldodecan-1-ol|2-octyldodecane-1-ol|2-OCTYLDODECANOL|2-Octyldodecyl alcohol|3-01-00-01844|BRN 1763479|DODECAN-1-OL, 2-OCTYL-|EINECS 226-242-9|Eutanol G|Fine Oxocol 2000|Guerbet C20|Kalcohl 200G|Kalcohl 200GD|NSC 2405|Rilanit G 20|Risonol 20SP|Standamul G|UNII-461N1O614Y|114265-32-6|123897-20-1|125200-13-7|179606-99-6|8039-11-0|84286-57-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036288
ERPathway2016 ERPathway2016_757 2-Octyl-1-dodecanol 5333-42-6 DTXSID3036288 A3 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCC(CO)CCCCCCCC 2-Octyl-1-dodecanol 5333-42-6|2-Octyl-1-dodecanol|1-Dodecanol, 2-octyl-|2-octildodecan-1-ol|2-Octyldodecan-1-ol|2-octyldodecane-1-ol|2-OCTYLDODECANOL|2-Octyldodecyl alcohol|3-01-00-01844|BRN 1763479|DODECAN-1-OL, 2-OCTYL-|EINECS 226-242-9|Eutanol G|Fine Oxocol 2000|Guerbet C20|Kalcohl 200G|Kalcohl 200GD|NSC 2405|Rilanit G 20|Risonol 20SP|Standamul G|UNII-461N1O614Y|114265-32-6|123897-20-1|125200-13-7|179606-99-6|8039-11-0|84286-57-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036288
ARPathway2016 ARPathway2016_499 2-Pentanone 107-87-9 DTXSID0021888 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC(C)=O 2-Pentanone 107-87-9|2-Pentanone|4-01-00-03271|4-Methyl-2-butanone|BRN 0506058|EINECS 203-528-1|Ethyl acetone|Ethylacetone|FEMA 2842|FEMA No. 2842|FEMA Number 2842|Methyl n-propyl ketone|METHYL PROPYL KETONE|Methyl propyl ketone [UN1249] [Flammable liquid]|Methyl-N-propyl ketone|Methyl-propyl-cetone|Methylpropyl ketone|Metylopropyloketon|MPK|N-C3H7COCH3|N-Propyl methyl ketone|NSC 5350|Pentan-2-on|pentan-2-ona|Pentan-2-one|pentane-2-one|Pentanone|Pentanone-2|Propyl methyl ketone|UN 1249|UNII-I97392I10V https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021888 https://doi.org/10.22427/NTP-DATA-DTXSID0021888
ARPathway2016 ARPathway2016_499 2-Pentanone 107-87-9 DTXSID0021888 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCC(C)=O 2-Pentanone 107-87-9|2-Pentanone|4-01-00-03271|4-Methyl-2-butanone|BRN 0506058|EINECS 203-528-1|Ethyl acetone|Ethylacetone|FEMA 2842|FEMA No. 2842|FEMA Number 2842|Methyl n-propyl ketone|METHYL PROPYL KETONE|Methyl propyl ketone [UN1249] [Flammable liquid]|Methyl-N-propyl ketone|Methyl-propyl-cetone|Methylpropyl ketone|Metylopropyloketon|MPK|N-C3H7COCH3|N-Propyl methyl ketone|NSC 5350|Pentan-2-on|pentan-2-ona|Pentan-2-one|pentane-2-one|Pentanone|Pentanone-2|Propyl methyl ketone|UN 1249|UNII-I97392I10V https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021888 https://doi.org/10.22427/NTP-DATA-DTXSID0021888
ARPathway2016 ARPathway2016_499 2-Pentanone 107-87-9 DTXSID0021888 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCC(C)=O 2-Pentanone 107-87-9|2-Pentanone|4-01-00-03271|4-Methyl-2-butanone|BRN 0506058|EINECS 203-528-1|Ethyl acetone|Ethylacetone|FEMA 2842|FEMA No. 2842|FEMA Number 2842|Methyl n-propyl ketone|METHYL PROPYL KETONE|Methyl propyl ketone [UN1249] [Flammable liquid]|Methyl-N-propyl ketone|Methyl-propyl-cetone|Methylpropyl ketone|Metylopropyloketon|MPK|N-C3H7COCH3|N-Propyl methyl ketone|NSC 5350|Pentan-2-on|pentan-2-ona|Pentan-2-one|pentane-2-one|Pentanone|Pentanone-2|Propyl methyl ketone|UN 1249|UNII-I97392I10V https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021888 https://doi.org/10.22427/NTP-DATA-DTXSID0021888
ARPathway2016 ARPathway2016_499 2-Pentanone 107-87-9 DTXSID0021888 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCC(C)=O 2-Pentanone 107-87-9|2-Pentanone|4-01-00-03271|4-Methyl-2-butanone|BRN 0506058|EINECS 203-528-1|Ethyl acetone|Ethylacetone|FEMA 2842|FEMA No. 2842|FEMA Number 2842|Methyl n-propyl ketone|METHYL PROPYL KETONE|Methyl propyl ketone [UN1249] [Flammable liquid]|Methyl-N-propyl ketone|Methyl-propyl-cetone|Methylpropyl ketone|Metylopropyloketon|MPK|N-C3H7COCH3|N-Propyl methyl ketone|NSC 5350|Pentan-2-on|pentan-2-ona|Pentan-2-one|pentane-2-one|Pentanone|Pentanone-2|Propyl methyl ketone|UN 1249|UNII-I97392I10V https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021888 https://doi.org/10.22427/NTP-DATA-DTXSID0021888
ERPathway2016 ERPathway2016_54 2-Pentanone 107-87-9 DTXSID0021888 ER Pathway Model, Agonist AC50 19.1033051690482 uM CCCC(C)=O 2-Pentanone 107-87-9|2-Pentanone|4-01-00-03271|4-Methyl-2-butanone|BRN 0506058|EINECS 203-528-1|Ethyl acetone|Ethylacetone|FEMA 2842|FEMA No. 2842|FEMA Number 2842|Methyl n-propyl ketone|METHYL PROPYL KETONE|Methyl propyl ketone [UN1249] [Flammable liquid]|Methyl-N-propyl ketone|Methyl-propyl-cetone|Methylpropyl ketone|Metylopropyloketon|MPK|N-C3H7COCH3|N-Propyl methyl ketone|NSC 5350|Pentan-2-on|pentan-2-ona|Pentan-2-one|pentane-2-one|Pentanone|Pentanone-2|Propyl methyl ketone|UN 1249|UNII-I97392I10V https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021888 https://doi.org/10.22427/NTP-DATA-DTXSID0021888
ERPathway2016 ERPathway2016_54 2-Pentanone 107-87-9 DTXSID0021888 ER Pathway Model, Agonist ACC 20.3618068824265 uM CCCC(C)=O 2-Pentanone 107-87-9|2-Pentanone|4-01-00-03271|4-Methyl-2-butanone|BRN 0506058|EINECS 203-528-1|Ethyl acetone|Ethylacetone|FEMA 2842|FEMA No. 2842|FEMA Number 2842|Methyl n-propyl ketone|METHYL PROPYL KETONE|Methyl propyl ketone [UN1249] [Flammable liquid]|Methyl-N-propyl ketone|Methyl-propyl-cetone|Methylpropyl ketone|Metylopropyloketon|MPK|N-C3H7COCH3|N-Propyl methyl ketone|NSC 5350|Pentan-2-on|pentan-2-ona|Pentan-2-one|pentane-2-one|Pentanone|Pentanone-2|Propyl methyl ketone|UN 1249|UNII-I97392I10V https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021888 https://doi.org/10.22427/NTP-DATA-DTXSID0021888
ERPathway2016 ERPathway2016_54 2-Pentanone 107-87-9 DTXSID0021888 ER Pathway Model, Agonist Model Score 0.00202 Unitless CCCC(C)=O 2-Pentanone 107-87-9|2-Pentanone|4-01-00-03271|4-Methyl-2-butanone|BRN 0506058|EINECS 203-528-1|Ethyl acetone|Ethylacetone|FEMA 2842|FEMA No. 2842|FEMA Number 2842|Methyl n-propyl ketone|METHYL PROPYL KETONE|Methyl propyl ketone [UN1249] [Flammable liquid]|Methyl-N-propyl ketone|Methyl-propyl-cetone|Methylpropyl ketone|Metylopropyloketon|MPK|N-C3H7COCH3|N-Propyl methyl ketone|NSC 5350|Pentan-2-on|pentan-2-ona|Pentan-2-one|pentane-2-one|Pentanone|Pentanone-2|Propyl methyl ketone|UN 1249|UNII-I97392I10V https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021888 https://doi.org/10.22427/NTP-DATA-DTXSID0021888
ERPathway2016 ERPathway2016_54 2-Pentanone 107-87-9 DTXSID0021888 ER Pathway Model, Antagonist Model Score 0.0065 Unitless CCCC(C)=O 2-Pentanone 107-87-9|2-Pentanone|4-01-00-03271|4-Methyl-2-butanone|BRN 0506058|EINECS 203-528-1|Ethyl acetone|Ethylacetone|FEMA 2842|FEMA No. 2842|FEMA Number 2842|Methyl n-propyl ketone|METHYL PROPYL KETONE|Methyl propyl ketone [UN1249] [Flammable liquid]|Methyl-N-propyl ketone|Methyl-propyl-cetone|Methylpropyl ketone|Metylopropyloketon|MPK|N-C3H7COCH3|N-Propyl methyl ketone|NSC 5350|Pentan-2-on|pentan-2-ona|Pentan-2-one|pentane-2-one|Pentanone|Pentanone-2|Propyl methyl ketone|UN 1249|UNII-I97392I10V https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021888 https://doi.org/10.22427/NTP-DATA-DTXSID0021888
ERPathway2016 ERPathway2016_54 2-Pentanone 107-87-9 DTXSID0021888 ER Pathway Model, Agonist Call Active Unitless CCCC(C)=O 2-Pentanone 107-87-9|2-Pentanone|4-01-00-03271|4-Methyl-2-butanone|BRN 0506058|EINECS 203-528-1|Ethyl acetone|Ethylacetone|FEMA 2842|FEMA No. 2842|FEMA Number 2842|Methyl n-propyl ketone|METHYL PROPYL KETONE|Methyl propyl ketone [UN1249] [Flammable liquid]|Methyl-N-propyl ketone|Methyl-propyl-cetone|Methylpropyl ketone|Metylopropyloketon|MPK|N-C3H7COCH3|N-Propyl methyl ketone|NSC 5350|Pentan-2-on|pentan-2-ona|Pentan-2-one|pentane-2-one|Pentanone|Pentanone-2|Propyl methyl ketone|UN 1249|UNII-I97392I10V https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021888 https://doi.org/10.22427/NTP-DATA-DTXSID0021888
ERPathway2016 ERPathway2016_54 2-Pentanone 107-87-9 DTXSID0021888 ER Pathway Model, Antagonist Call Inactive Unitless CCCC(C)=O 2-Pentanone 107-87-9|2-Pentanone|4-01-00-03271|4-Methyl-2-butanone|BRN 0506058|EINECS 203-528-1|Ethyl acetone|Ethylacetone|FEMA 2842|FEMA No. 2842|FEMA Number 2842|Methyl n-propyl ketone|METHYL PROPYL KETONE|Methyl propyl ketone [UN1249] [Flammable liquid]|Methyl-N-propyl ketone|Methyl-propyl-cetone|Methylpropyl ketone|Metylopropyloketon|MPK|N-C3H7COCH3|N-Propyl methyl ketone|NSC 5350|Pentan-2-on|pentan-2-ona|Pentan-2-one|pentane-2-one|Pentanone|Pentanone-2|Propyl methyl ketone|UN 1249|UNII-I97392I10V https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021888 https://doi.org/10.22427/NTP-DATA-DTXSID0021888
ARPathway2016 ARPathway2016_707 2-Phenoxyethanol 122-99-6 DTXSID9021976 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCCOC1=CC=CC=C1 2-Phenoxyethanol 122-99-6|2-Phenoxyethanol|(2-Hydroxyethoxy)benzene|1-Hydroxy-2-phenoxyethane|2-fenoxietanol|2-Fenoxyethanol|2-Hydroxyethyl phenyl ether|2-phenoxyethan-1-ol|2-Phenoxyethanol, 9CI|2-Phenoxyethyl alcohol|4-06-00-00571|AETHYLENGLYKOL-MONOPHENYLAETHER|AI3-00752()C|beta-Hydroxyethyl phenyl ether|BRN 1364011|Dalpad A|Dowanol EP|Dowanol EPh|EINECS 204-589-7|Emeressence 1160|Ethanol, 2-phenoxy|Ethanol, 2-phenoxy-|Ethanol,2-phenoxy|ETHER, 2-HYDROXYETHYL PHENYL|Ethyl glycol, monophenyl ether|Ethylene glycol monophenyl ether|ETHYLENE GLYCOL PHENYL ETHER|Ethyleneglycolmonophenylether|Fenyl-cellosolve|Fenylcelosolv|Glycol monophenyl ether|Hisolve EPH|Newpol EFP|NSC 1864|Phenova|Phenoxethol|Phenoxetol|PHENOXY ETHANOL|PHENOXYEHTYL ALCOHOL/AROSOL|PHENOXYETHANOL|Phenoxyethyl alcohol|Phenyl cellosolve|Phenylcellosolve|Phenylmonoglycol ether|Plastiazan-41|Plastilit DS 3431|Rokafenol F 1|Rose ether|Sepicide LD|UNII-HIE492ZZ3T|b-Hydroxyethyl phenyl ether|b-Phenoxyethanol|b-Phenoxyethyl alcohol|1020398-73-5|37220-49-8|56257-90-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021976 https://doi.org/10.22427/NTP-DATA-DTXSID9021976
ARPathway2016 ARPathway2016_707 2-Phenoxyethanol 122-99-6 DTXSID9021976 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCCOC1=CC=CC=C1 2-Phenoxyethanol 122-99-6|2-Phenoxyethanol|(2-Hydroxyethoxy)benzene|1-Hydroxy-2-phenoxyethane|2-fenoxietanol|2-Fenoxyethanol|2-Hydroxyethyl phenyl ether|2-phenoxyethan-1-ol|2-Phenoxyethanol, 9CI|2-Phenoxyethyl alcohol|4-06-00-00571|AETHYLENGLYKOL-MONOPHENYLAETHER|AI3-00752()C|beta-Hydroxyethyl phenyl ether|BRN 1364011|Dalpad A|Dowanol EP|Dowanol EPh|EINECS 204-589-7|Emeressence 1160|Ethanol, 2-phenoxy|Ethanol, 2-phenoxy-|Ethanol,2-phenoxy|ETHER, 2-HYDROXYETHYL PHENYL|Ethyl glycol, monophenyl ether|Ethylene glycol monophenyl ether|ETHYLENE GLYCOL PHENYL ETHER|Ethyleneglycolmonophenylether|Fenyl-cellosolve|Fenylcelosolv|Glycol monophenyl ether|Hisolve EPH|Newpol EFP|NSC 1864|Phenova|Phenoxethol|Phenoxetol|PHENOXY ETHANOL|PHENOXYEHTYL ALCOHOL/AROSOL|PHENOXYETHANOL|Phenoxyethyl alcohol|Phenyl cellosolve|Phenylcellosolve|Phenylmonoglycol ether|Plastiazan-41|Plastilit DS 3431|Rokafenol F 1|Rose ether|Sepicide LD|UNII-HIE492ZZ3T|b-Hydroxyethyl phenyl ether|b-Phenoxyethanol|b-Phenoxyethyl alcohol|1020398-73-5|37220-49-8|56257-90-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021976 https://doi.org/10.22427/NTP-DATA-DTXSID9021976
ARPathway2016 ARPathway2016_707 2-Phenoxyethanol 122-99-6 DTXSID9021976 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCCOC1=CC=CC=C1 2-Phenoxyethanol 122-99-6|2-Phenoxyethanol|(2-Hydroxyethoxy)benzene|1-Hydroxy-2-phenoxyethane|2-fenoxietanol|2-Fenoxyethanol|2-Hydroxyethyl phenyl ether|2-phenoxyethan-1-ol|2-Phenoxyethanol, 9CI|2-Phenoxyethyl alcohol|4-06-00-00571|AETHYLENGLYKOL-MONOPHENYLAETHER|AI3-00752()C|beta-Hydroxyethyl phenyl ether|BRN 1364011|Dalpad A|Dowanol EP|Dowanol EPh|EINECS 204-589-7|Emeressence 1160|Ethanol, 2-phenoxy|Ethanol, 2-phenoxy-|Ethanol,2-phenoxy|ETHER, 2-HYDROXYETHYL PHENYL|Ethyl glycol, monophenyl ether|Ethylene glycol monophenyl ether|ETHYLENE GLYCOL PHENYL ETHER|Ethyleneglycolmonophenylether|Fenyl-cellosolve|Fenylcelosolv|Glycol monophenyl ether|Hisolve EPH|Newpol EFP|NSC 1864|Phenova|Phenoxethol|Phenoxetol|PHENOXY ETHANOL|PHENOXYEHTYL ALCOHOL/AROSOL|PHENOXYETHANOL|Phenoxyethyl alcohol|Phenyl cellosolve|Phenylcellosolve|Phenylmonoglycol ether|Plastiazan-41|Plastilit DS 3431|Rokafenol F 1|Rose ether|Sepicide LD|UNII-HIE492ZZ3T|b-Hydroxyethyl phenyl ether|b-Phenoxyethanol|b-Phenoxyethyl alcohol|1020398-73-5|37220-49-8|56257-90-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021976 https://doi.org/10.22427/NTP-DATA-DTXSID9021976
ARPathway2016 ARPathway2016_707 2-Phenoxyethanol 122-99-6 DTXSID9021976 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCCOC1=CC=CC=C1 2-Phenoxyethanol 122-99-6|2-Phenoxyethanol|(2-Hydroxyethoxy)benzene|1-Hydroxy-2-phenoxyethane|2-fenoxietanol|2-Fenoxyethanol|2-Hydroxyethyl phenyl ether|2-phenoxyethan-1-ol|2-Phenoxyethanol, 9CI|2-Phenoxyethyl alcohol|4-06-00-00571|AETHYLENGLYKOL-MONOPHENYLAETHER|AI3-00752()C|beta-Hydroxyethyl phenyl ether|BRN 1364011|Dalpad A|Dowanol EP|Dowanol EPh|EINECS 204-589-7|Emeressence 1160|Ethanol, 2-phenoxy|Ethanol, 2-phenoxy-|Ethanol,2-phenoxy|ETHER, 2-HYDROXYETHYL PHENYL|Ethyl glycol, monophenyl ether|Ethylene glycol monophenyl ether|ETHYLENE GLYCOL PHENYL ETHER|Ethyleneglycolmonophenylether|Fenyl-cellosolve|Fenylcelosolv|Glycol monophenyl ether|Hisolve EPH|Newpol EFP|NSC 1864|Phenova|Phenoxethol|Phenoxetol|PHENOXY ETHANOL|PHENOXYEHTYL ALCOHOL/AROSOL|PHENOXYETHANOL|Phenoxyethyl alcohol|Phenyl cellosolve|Phenylcellosolve|Phenylmonoglycol ether|Plastiazan-41|Plastilit DS 3431|Rokafenol F 1|Rose ether|Sepicide LD|UNII-HIE492ZZ3T|b-Hydroxyethyl phenyl ether|b-Phenoxyethanol|b-Phenoxyethyl alcohol|1020398-73-5|37220-49-8|56257-90-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021976 https://doi.org/10.22427/NTP-DATA-DTXSID9021976
ERPathway2016 ERPathway2016_1227 2-Phenoxyethanol 122-99-6 DTXSID9021976 ER Pathway Model, Agonist Model Score 0 Unitless OCCOC1=CC=CC=C1 2-Phenoxyethanol 122-99-6|2-Phenoxyethanol|(2-Hydroxyethoxy)benzene|1-Hydroxy-2-phenoxyethane|2-fenoxietanol|2-Fenoxyethanol|2-Hydroxyethyl phenyl ether|2-phenoxyethan-1-ol|2-Phenoxyethanol, 9CI|2-Phenoxyethyl alcohol|4-06-00-00571|AETHYLENGLYKOL-MONOPHENYLAETHER|AI3-00752()C|beta-Hydroxyethyl phenyl ether|BRN 1364011|Dalpad A|Dowanol EP|Dowanol EPh|EINECS 204-589-7|Emeressence 1160|Ethanol, 2-phenoxy|Ethanol, 2-phenoxy-|Ethanol,2-phenoxy|ETHER, 2-HYDROXYETHYL PHENYL|Ethyl glycol, monophenyl ether|Ethylene glycol monophenyl ether|ETHYLENE GLYCOL PHENYL ETHER|Ethyleneglycolmonophenylether|Fenyl-cellosolve|Fenylcelosolv|Glycol monophenyl ether|Hisolve EPH|Newpol EFP|NSC 1864|Phenova|Phenoxethol|Phenoxetol|PHENOXY ETHANOL|PHENOXYEHTYL ALCOHOL/AROSOL|PHENOXYETHANOL|Phenoxyethyl alcohol|Phenyl cellosolve|Phenylcellosolve|Phenylmonoglycol ether|Plastiazan-41|Plastilit DS 3431|Rokafenol F 1|Rose ether|Sepicide LD|UNII-HIE492ZZ3T|b-Hydroxyethyl phenyl ether|b-Phenoxyethanol|b-Phenoxyethyl alcohol|1020398-73-5|37220-49-8|56257-90-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021976 https://doi.org/10.22427/NTP-DATA-DTXSID9021976
ERPathway2016 ERPathway2016_1227 2-Phenoxyethanol 122-99-6 DTXSID9021976 ER Pathway Model, Antagonist Model Score 0 Unitless OCCOC1=CC=CC=C1 2-Phenoxyethanol 122-99-6|2-Phenoxyethanol|(2-Hydroxyethoxy)benzene|1-Hydroxy-2-phenoxyethane|2-fenoxietanol|2-Fenoxyethanol|2-Hydroxyethyl phenyl ether|2-phenoxyethan-1-ol|2-Phenoxyethanol, 9CI|2-Phenoxyethyl alcohol|4-06-00-00571|AETHYLENGLYKOL-MONOPHENYLAETHER|AI3-00752()C|beta-Hydroxyethyl phenyl ether|BRN 1364011|Dalpad A|Dowanol EP|Dowanol EPh|EINECS 204-589-7|Emeressence 1160|Ethanol, 2-phenoxy|Ethanol, 2-phenoxy-|Ethanol,2-phenoxy|ETHER, 2-HYDROXYETHYL PHENYL|Ethyl glycol, monophenyl ether|Ethylene glycol monophenyl ether|ETHYLENE GLYCOL PHENYL ETHER|Ethyleneglycolmonophenylether|Fenyl-cellosolve|Fenylcelosolv|Glycol monophenyl ether|Hisolve EPH|Newpol EFP|NSC 1864|Phenova|Phenoxethol|Phenoxetol|PHENOXY ETHANOL|PHENOXYEHTYL ALCOHOL/AROSOL|PHENOXYETHANOL|Phenoxyethyl alcohol|Phenyl cellosolve|Phenylcellosolve|Phenylmonoglycol ether|Plastiazan-41|Plastilit DS 3431|Rokafenol F 1|Rose ether|Sepicide LD|UNII-HIE492ZZ3T|b-Hydroxyethyl phenyl ether|b-Phenoxyethanol|b-Phenoxyethyl alcohol|1020398-73-5|37220-49-8|56257-90-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021976 https://doi.org/10.22427/NTP-DATA-DTXSID9021976
ERPathway2016 ERPathway2016_1227 2-Phenoxyethanol 122-99-6 DTXSID9021976 ER Pathway Model, Agonist Call Inactive Unitless OCCOC1=CC=CC=C1 2-Phenoxyethanol 122-99-6|2-Phenoxyethanol|(2-Hydroxyethoxy)benzene|1-Hydroxy-2-phenoxyethane|2-fenoxietanol|2-Fenoxyethanol|2-Hydroxyethyl phenyl ether|2-phenoxyethan-1-ol|2-Phenoxyethanol, 9CI|2-Phenoxyethyl alcohol|4-06-00-00571|AETHYLENGLYKOL-MONOPHENYLAETHER|AI3-00752()C|beta-Hydroxyethyl phenyl ether|BRN 1364011|Dalpad A|Dowanol EP|Dowanol EPh|EINECS 204-589-7|Emeressence 1160|Ethanol, 2-phenoxy|Ethanol, 2-phenoxy-|Ethanol,2-phenoxy|ETHER, 2-HYDROXYETHYL PHENYL|Ethyl glycol, monophenyl ether|Ethylene glycol monophenyl ether|ETHYLENE GLYCOL PHENYL ETHER|Ethyleneglycolmonophenylether|Fenyl-cellosolve|Fenylcelosolv|Glycol monophenyl ether|Hisolve EPH|Newpol EFP|NSC 1864|Phenova|Phenoxethol|Phenoxetol|PHENOXY ETHANOL|PHENOXYEHTYL ALCOHOL/AROSOL|PHENOXYETHANOL|Phenoxyethyl alcohol|Phenyl cellosolve|Phenylcellosolve|Phenylmonoglycol ether|Plastiazan-41|Plastilit DS 3431|Rokafenol F 1|Rose ether|Sepicide LD|UNII-HIE492ZZ3T|b-Hydroxyethyl phenyl ether|b-Phenoxyethanol|b-Phenoxyethyl alcohol|1020398-73-5|37220-49-8|56257-90-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021976 https://doi.org/10.22427/NTP-DATA-DTXSID9021976
ERPathway2016 ERPathway2016_1227 2-Phenoxyethanol 122-99-6 DTXSID9021976 ER Pathway Model, Antagonist Call Inactive Unitless OCCOC1=CC=CC=C1 2-Phenoxyethanol 122-99-6|2-Phenoxyethanol|(2-Hydroxyethoxy)benzene|1-Hydroxy-2-phenoxyethane|2-fenoxietanol|2-Fenoxyethanol|2-Hydroxyethyl phenyl ether|2-phenoxyethan-1-ol|2-Phenoxyethanol, 9CI|2-Phenoxyethyl alcohol|4-06-00-00571|AETHYLENGLYKOL-MONOPHENYLAETHER|AI3-00752()C|beta-Hydroxyethyl phenyl ether|BRN 1364011|Dalpad A|Dowanol EP|Dowanol EPh|EINECS 204-589-7|Emeressence 1160|Ethanol, 2-phenoxy|Ethanol, 2-phenoxy-|Ethanol,2-phenoxy|ETHER, 2-HYDROXYETHYL PHENYL|Ethyl glycol, monophenyl ether|Ethylene glycol monophenyl ether|ETHYLENE GLYCOL PHENYL ETHER|Ethyleneglycolmonophenylether|Fenyl-cellosolve|Fenylcelosolv|Glycol monophenyl ether|Hisolve EPH|Newpol EFP|NSC 1864|Phenova|Phenoxethol|Phenoxetol|PHENOXY ETHANOL|PHENOXYEHTYL ALCOHOL/AROSOL|PHENOXYETHANOL|Phenoxyethyl alcohol|Phenyl cellosolve|Phenylcellosolve|Phenylmonoglycol ether|Plastiazan-41|Plastilit DS 3431|Rokafenol F 1|Rose ether|Sepicide LD|UNII-HIE492ZZ3T|b-Hydroxyethyl phenyl ether|b-Phenoxyethanol|b-Phenoxyethyl alcohol|1020398-73-5|37220-49-8|56257-90-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021976 https://doi.org/10.22427/NTP-DATA-DTXSID9021976
ARPathway2016 ARPathway2016_1386 2-Phenylethanol 60-12-8 DTXSID9026342 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCCC1=CC=CC=C1 2-Phenylethanol 60-12-8|2-Phenylethanol|(2-Hydroxyethyl)benzene|1-Phenyl-2-ethanol|2-feniletanol|2-Hydroxyethylbenzene|2-Phenethanol|2-Phenethyl alcohol|2-PhenyIethanol|2-Phenyl-1-ethanol|2-Phenyl-Ethanol|2-PHENYLAETHANOL|2-phenylethan-1-ol|2-Phenylethyl alcohol|4-06-00-03067|b-Hydroxyethylbenzene|Benzeneethanol|Benzeneethanol, 9CI|Benzenethanol|Benzyl carbinol|Benzyl ethyl alcohol|Benzyl-Methanol|Benzylcarbinol|Benzylmethanol|beta -hydroxyethylbenzene|beta-Fenethylalkohol|beta-Fenylethanol|beta-Hydroxyethylbenzene|beta-Phenylethanol|BRN 1905732|Caswell No. 655C|EINECS 200-456-2|EPA Pesticide Chemical Code 001503|Ethanol, 2-phenyl-|FEMA 2858|FEMA No. 2858|FEMA Number 2858|Hydroxyethylbenzene|Methanol, benzyl-|NSC 406252|PEA|Phenethanol|Phenethyl alcohol|Phenethyl alcohol, 8CI, BAN|Phenyl ethyl alcohol|Phenyl-Ethanol|PHENYLETHANOL|PHENYLETHYL ALCOHOL|Phenylethyl alcohol, USAN|UNII-ML9LGA7468|b-(Hydroxyethyl)benzene|b-Phenethanol|b-Phenethyl alcohol|b-Phenylethanol|b-PHENYLETHYL ALCOHOL|b-Phenylethylalcohol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026342
ARPathway2016 ARPathway2016_1386 2-Phenylethanol 60-12-8 DTXSID9026342 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCCC1=CC=CC=C1 2-Phenylethanol 60-12-8|2-Phenylethanol|(2-Hydroxyethyl)benzene|1-Phenyl-2-ethanol|2-feniletanol|2-Hydroxyethylbenzene|2-Phenethanol|2-Phenethyl alcohol|2-PhenyIethanol|2-Phenyl-1-ethanol|2-Phenyl-Ethanol|2-PHENYLAETHANOL|2-phenylethan-1-ol|2-Phenylethyl alcohol|4-06-00-03067|b-Hydroxyethylbenzene|Benzeneethanol|Benzeneethanol, 9CI|Benzenethanol|Benzyl carbinol|Benzyl ethyl alcohol|Benzyl-Methanol|Benzylcarbinol|Benzylmethanol|beta -hydroxyethylbenzene|beta-Fenethylalkohol|beta-Fenylethanol|beta-Hydroxyethylbenzene|beta-Phenylethanol|BRN 1905732|Caswell No. 655C|EINECS 200-456-2|EPA Pesticide Chemical Code 001503|Ethanol, 2-phenyl-|FEMA 2858|FEMA No. 2858|FEMA Number 2858|Hydroxyethylbenzene|Methanol, benzyl-|NSC 406252|PEA|Phenethanol|Phenethyl alcohol|Phenethyl alcohol, 8CI, BAN|Phenyl ethyl alcohol|Phenyl-Ethanol|PHENYLETHANOL|PHENYLETHYL ALCOHOL|Phenylethyl alcohol, USAN|UNII-ML9LGA7468|b-(Hydroxyethyl)benzene|b-Phenethanol|b-Phenethyl alcohol|b-Phenylethanol|b-PHENYLETHYL ALCOHOL|b-Phenylethylalcohol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026342
ARPathway2016 ARPathway2016_1386 2-Phenylethanol 60-12-8 DTXSID9026342 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCCC1=CC=CC=C1 2-Phenylethanol 60-12-8|2-Phenylethanol|(2-Hydroxyethyl)benzene|1-Phenyl-2-ethanol|2-feniletanol|2-Hydroxyethylbenzene|2-Phenethanol|2-Phenethyl alcohol|2-PhenyIethanol|2-Phenyl-1-ethanol|2-Phenyl-Ethanol|2-PHENYLAETHANOL|2-phenylethan-1-ol|2-Phenylethyl alcohol|4-06-00-03067|b-Hydroxyethylbenzene|Benzeneethanol|Benzeneethanol, 9CI|Benzenethanol|Benzyl carbinol|Benzyl ethyl alcohol|Benzyl-Methanol|Benzylcarbinol|Benzylmethanol|beta -hydroxyethylbenzene|beta-Fenethylalkohol|beta-Fenylethanol|beta-Hydroxyethylbenzene|beta-Phenylethanol|BRN 1905732|Caswell No. 655C|EINECS 200-456-2|EPA Pesticide Chemical Code 001503|Ethanol, 2-phenyl-|FEMA 2858|FEMA No. 2858|FEMA Number 2858|Hydroxyethylbenzene|Methanol, benzyl-|NSC 406252|PEA|Phenethanol|Phenethyl alcohol|Phenethyl alcohol, 8CI, BAN|Phenyl ethyl alcohol|Phenyl-Ethanol|PHENYLETHANOL|PHENYLETHYL ALCOHOL|Phenylethyl alcohol, USAN|UNII-ML9LGA7468|b-(Hydroxyethyl)benzene|b-Phenethanol|b-Phenethyl alcohol|b-Phenylethanol|b-PHENYLETHYL ALCOHOL|b-Phenylethylalcohol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026342
ARPathway2016 ARPathway2016_1386 2-Phenylethanol 60-12-8 DTXSID9026342 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCCC1=CC=CC=C1 2-Phenylethanol 60-12-8|2-Phenylethanol|(2-Hydroxyethyl)benzene|1-Phenyl-2-ethanol|2-feniletanol|2-Hydroxyethylbenzene|2-Phenethanol|2-Phenethyl alcohol|2-PhenyIethanol|2-Phenyl-1-ethanol|2-Phenyl-Ethanol|2-PHENYLAETHANOL|2-phenylethan-1-ol|2-Phenylethyl alcohol|4-06-00-03067|b-Hydroxyethylbenzene|Benzeneethanol|Benzeneethanol, 9CI|Benzenethanol|Benzyl carbinol|Benzyl ethyl alcohol|Benzyl-Methanol|Benzylcarbinol|Benzylmethanol|beta -hydroxyethylbenzene|beta-Fenethylalkohol|beta-Fenylethanol|beta-Hydroxyethylbenzene|beta-Phenylethanol|BRN 1905732|Caswell No. 655C|EINECS 200-456-2|EPA Pesticide Chemical Code 001503|Ethanol, 2-phenyl-|FEMA 2858|FEMA No. 2858|FEMA Number 2858|Hydroxyethylbenzene|Methanol, benzyl-|NSC 406252|PEA|Phenethanol|Phenethyl alcohol|Phenethyl alcohol, 8CI, BAN|Phenyl ethyl alcohol|Phenyl-Ethanol|PHENYLETHANOL|PHENYLETHYL ALCOHOL|Phenylethyl alcohol, USAN|UNII-ML9LGA7468|b-(Hydroxyethyl)benzene|b-Phenethanol|b-Phenethyl alcohol|b-Phenylethanol|b-PHENYLETHYL ALCOHOL|b-Phenylethylalcohol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026342
ERPathway2016 ERPathway2016_768 2-Phenylethanol 60-12-8 DTXSID9026342 A9 ER Pathway Model, Agonist Model Score 0 Unitless OCCC1=CC=CC=C1 2-Phenylethanol 60-12-8|2-Phenylethanol|(2-Hydroxyethyl)benzene|1-Phenyl-2-ethanol|2-feniletanol|2-Hydroxyethylbenzene|2-Phenethanol|2-Phenethyl alcohol|2-PhenyIethanol|2-Phenyl-1-ethanol|2-Phenyl-Ethanol|2-PHENYLAETHANOL|2-phenylethan-1-ol|2-Phenylethyl alcohol|4-06-00-03067|b-Hydroxyethylbenzene|Benzeneethanol|Benzeneethanol, 9CI|Benzenethanol|Benzyl carbinol|Benzyl ethyl alcohol|Benzyl-Methanol|Benzylcarbinol|Benzylmethanol|beta -hydroxyethylbenzene|beta-Fenethylalkohol|beta-Fenylethanol|beta-Hydroxyethylbenzene|beta-Phenylethanol|BRN 1905732|Caswell No. 655C|EINECS 200-456-2|EPA Pesticide Chemical Code 001503|Ethanol, 2-phenyl-|FEMA 2858|FEMA No. 2858|FEMA Number 2858|Hydroxyethylbenzene|Methanol, benzyl-|NSC 406252|PEA|Phenethanol|Phenethyl alcohol|Phenethyl alcohol, 8CI, BAN|Phenyl ethyl alcohol|Phenyl-Ethanol|PHENYLETHANOL|PHENYLETHYL ALCOHOL|Phenylethyl alcohol, USAN|UNII-ML9LGA7468|b-(Hydroxyethyl)benzene|b-Phenethanol|b-Phenethyl alcohol|b-Phenylethanol|b-PHENYLETHYL ALCOHOL|b-Phenylethylalcohol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026342
ERPathway2016 ERPathway2016_768 2-Phenylethanol 60-12-8 DTXSID9026342 A9 ER Pathway Model, Antagonist Model Score 0 Unitless OCCC1=CC=CC=C1 2-Phenylethanol 60-12-8|2-Phenylethanol|(2-Hydroxyethyl)benzene|1-Phenyl-2-ethanol|2-feniletanol|2-Hydroxyethylbenzene|2-Phenethanol|2-Phenethyl alcohol|2-PhenyIethanol|2-Phenyl-1-ethanol|2-Phenyl-Ethanol|2-PHENYLAETHANOL|2-phenylethan-1-ol|2-Phenylethyl alcohol|4-06-00-03067|b-Hydroxyethylbenzene|Benzeneethanol|Benzeneethanol, 9CI|Benzenethanol|Benzyl carbinol|Benzyl ethyl alcohol|Benzyl-Methanol|Benzylcarbinol|Benzylmethanol|beta -hydroxyethylbenzene|beta-Fenethylalkohol|beta-Fenylethanol|beta-Hydroxyethylbenzene|beta-Phenylethanol|BRN 1905732|Caswell No. 655C|EINECS 200-456-2|EPA Pesticide Chemical Code 001503|Ethanol, 2-phenyl-|FEMA 2858|FEMA No. 2858|FEMA Number 2858|Hydroxyethylbenzene|Methanol, benzyl-|NSC 406252|PEA|Phenethanol|Phenethyl alcohol|Phenethyl alcohol, 8CI, BAN|Phenyl ethyl alcohol|Phenyl-Ethanol|PHENYLETHANOL|PHENYLETHYL ALCOHOL|Phenylethyl alcohol, USAN|UNII-ML9LGA7468|b-(Hydroxyethyl)benzene|b-Phenethanol|b-Phenethyl alcohol|b-Phenylethanol|b-PHENYLETHYL ALCOHOL|b-Phenylethylalcohol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026342
ERPathway2016 ERPathway2016_768 2-Phenylethanol 60-12-8 DTXSID9026342 A9 ER Pathway Model, Agonist Call Inactive Unitless OCCC1=CC=CC=C1 2-Phenylethanol 60-12-8|2-Phenylethanol|(2-Hydroxyethyl)benzene|1-Phenyl-2-ethanol|2-feniletanol|2-Hydroxyethylbenzene|2-Phenethanol|2-Phenethyl alcohol|2-PhenyIethanol|2-Phenyl-1-ethanol|2-Phenyl-Ethanol|2-PHENYLAETHANOL|2-phenylethan-1-ol|2-Phenylethyl alcohol|4-06-00-03067|b-Hydroxyethylbenzene|Benzeneethanol|Benzeneethanol, 9CI|Benzenethanol|Benzyl carbinol|Benzyl ethyl alcohol|Benzyl-Methanol|Benzylcarbinol|Benzylmethanol|beta -hydroxyethylbenzene|beta-Fenethylalkohol|beta-Fenylethanol|beta-Hydroxyethylbenzene|beta-Phenylethanol|BRN 1905732|Caswell No. 655C|EINECS 200-456-2|EPA Pesticide Chemical Code 001503|Ethanol, 2-phenyl-|FEMA 2858|FEMA No. 2858|FEMA Number 2858|Hydroxyethylbenzene|Methanol, benzyl-|NSC 406252|PEA|Phenethanol|Phenethyl alcohol|Phenethyl alcohol, 8CI, BAN|Phenyl ethyl alcohol|Phenyl-Ethanol|PHENYLETHANOL|PHENYLETHYL ALCOHOL|Phenylethyl alcohol, USAN|UNII-ML9LGA7468|b-(Hydroxyethyl)benzene|b-Phenethanol|b-Phenethyl alcohol|b-Phenylethanol|b-PHENYLETHYL ALCOHOL|b-Phenylethylalcohol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026342
ERPathway2016 ERPathway2016_768 2-Phenylethanol 60-12-8 DTXSID9026342 A9 ER Pathway Model, Antagonist Call Inactive Unitless OCCC1=CC=CC=C1 2-Phenylethanol 60-12-8|2-Phenylethanol|(2-Hydroxyethyl)benzene|1-Phenyl-2-ethanol|2-feniletanol|2-Hydroxyethylbenzene|2-Phenethanol|2-Phenethyl alcohol|2-PhenyIethanol|2-Phenyl-1-ethanol|2-Phenyl-Ethanol|2-PHENYLAETHANOL|2-phenylethan-1-ol|2-Phenylethyl alcohol|4-06-00-03067|b-Hydroxyethylbenzene|Benzeneethanol|Benzeneethanol, 9CI|Benzenethanol|Benzyl carbinol|Benzyl ethyl alcohol|Benzyl-Methanol|Benzylcarbinol|Benzylmethanol|beta -hydroxyethylbenzene|beta-Fenethylalkohol|beta-Fenylethanol|beta-Hydroxyethylbenzene|beta-Phenylethanol|BRN 1905732|Caswell No. 655C|EINECS 200-456-2|EPA Pesticide Chemical Code 001503|Ethanol, 2-phenyl-|FEMA 2858|FEMA No. 2858|FEMA Number 2858|Hydroxyethylbenzene|Methanol, benzyl-|NSC 406252|PEA|Phenethanol|Phenethyl alcohol|Phenethyl alcohol, 8CI, BAN|Phenyl ethyl alcohol|Phenyl-Ethanol|PHENYLETHANOL|PHENYLETHYL ALCOHOL|Phenylethyl alcohol, USAN|UNII-ML9LGA7468|b-(Hydroxyethyl)benzene|b-Phenethanol|b-Phenethyl alcohol|b-Phenylethanol|b-PHENYLETHYL ALCOHOL|b-Phenylethylalcohol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026342
ARPathway2016 ARPathway2016_1742 2-Phenylethyl benzoate 94-47-3 DTXSID9047590 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C(OCCC1=CC=CC=C1)C1=CC=CC=C1 2-Phenylethyl benzoate 94-47-3|2-Phenylethyl benzoate|2-Fenylethylester kyseliny benzoove|4-09-00-00308|Benzyl carbinyl benzoate|Benzylcarbinyl benzoate|BRN 2052132|EINECS 202-336-5|FEMA No. 2860|NSC 24096|Phenethyl alcohol, benzoate|Phenethylbenzoate|Phenylethyl benzoate|UNII-0C143929GK https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047590
ARPathway2016 ARPathway2016_1742 2-Phenylethyl benzoate 94-47-3 DTXSID9047590 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C(OCCC1=CC=CC=C1)C1=CC=CC=C1 2-Phenylethyl benzoate 94-47-3|2-Phenylethyl benzoate|2-Fenylethylester kyseliny benzoove|4-09-00-00308|Benzyl carbinyl benzoate|Benzylcarbinyl benzoate|BRN 2052132|EINECS 202-336-5|FEMA No. 2860|NSC 24096|Phenethyl alcohol, benzoate|Phenethylbenzoate|Phenylethyl benzoate|UNII-0C143929GK https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047590
ARPathway2016 ARPathway2016_1742 2-Phenylethyl benzoate 94-47-3 DTXSID9047590 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C(OCCC1=CC=CC=C1)C1=CC=CC=C1 2-Phenylethyl benzoate 94-47-3|2-Phenylethyl benzoate|2-Fenylethylester kyseliny benzoove|4-09-00-00308|Benzyl carbinyl benzoate|Benzylcarbinyl benzoate|BRN 2052132|EINECS 202-336-5|FEMA No. 2860|NSC 24096|Phenethyl alcohol, benzoate|Phenethylbenzoate|Phenylethyl benzoate|UNII-0C143929GK https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047590
ARPathway2016 ARPathway2016_1742 2-Phenylethyl benzoate 94-47-3 DTXSID9047590 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C(OCCC1=CC=CC=C1)C1=CC=CC=C1 2-Phenylethyl benzoate 94-47-3|2-Phenylethyl benzoate|2-Fenylethylester kyseliny benzoove|4-09-00-00308|Benzyl carbinyl benzoate|Benzylcarbinyl benzoate|BRN 2052132|EINECS 202-336-5|FEMA No. 2860|NSC 24096|Phenethyl alcohol, benzoate|Phenethylbenzoate|Phenylethyl benzoate|UNII-0C143929GK https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047590
ERPathway2016 ERPathway2016_437 2-Phenylethyl benzoate 94-47-3 DTXSID9047590 A15 ER Pathway Model, Antagonist AC50 47.976315346011 uM O=C(OCCC1=CC=CC=C1)C1=CC=CC=C1 2-Phenylethyl benzoate 94-47-3|2-Phenylethyl benzoate|2-Fenylethylester kyseliny benzoove|4-09-00-00308|Benzyl carbinyl benzoate|Benzylcarbinyl benzoate|BRN 2052132|EINECS 202-336-5|FEMA No. 2860|NSC 24096|Phenethyl alcohol, benzoate|Phenethylbenzoate|Phenylethyl benzoate|UNII-0C143929GK https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047590
ERPathway2016 ERPathway2016_437 2-Phenylethyl benzoate 94-47-3 DTXSID9047590 A15 ER Pathway Model, Antagonist ACC 37.036023788367 uM O=C(OCCC1=CC=CC=C1)C1=CC=CC=C1 2-Phenylethyl benzoate 94-47-3|2-Phenylethyl benzoate|2-Fenylethylester kyseliny benzoove|4-09-00-00308|Benzyl carbinyl benzoate|Benzylcarbinyl benzoate|BRN 2052132|EINECS 202-336-5|FEMA No. 2860|NSC 24096|Phenethyl alcohol, benzoate|Phenethylbenzoate|Phenylethyl benzoate|UNII-0C143929GK https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047590
ERPathway2016 ERPathway2016_437 2-Phenylethyl benzoate 94-47-3 DTXSID9047590 A15 ER Pathway Model, Agonist Model Score 0.00552 Unitless O=C(OCCC1=CC=CC=C1)C1=CC=CC=C1 2-Phenylethyl benzoate 94-47-3|2-Phenylethyl benzoate|2-Fenylethylester kyseliny benzoove|4-09-00-00308|Benzyl carbinyl benzoate|Benzylcarbinyl benzoate|BRN 2052132|EINECS 202-336-5|FEMA No. 2860|NSC 24096|Phenethyl alcohol, benzoate|Phenethylbenzoate|Phenylethyl benzoate|UNII-0C143929GK https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047590
ERPathway2016 ERPathway2016_437 2-Phenylethyl benzoate 94-47-3 DTXSID9047590 A15 ER Pathway Model, Antagonist Model Score 0 Unitless O=C(OCCC1=CC=CC=C1)C1=CC=CC=C1 2-Phenylethyl benzoate 94-47-3|2-Phenylethyl benzoate|2-Fenylethylester kyseliny benzoove|4-09-00-00308|Benzyl carbinyl benzoate|Benzylcarbinyl benzoate|BRN 2052132|EINECS 202-336-5|FEMA No. 2860|NSC 24096|Phenethyl alcohol, benzoate|Phenethylbenzoate|Phenylethyl benzoate|UNII-0C143929GK https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047590
ERPathway2016 ERPathway2016_437 2-Phenylethyl benzoate 94-47-3 DTXSID9047590 A15 ER Pathway Model, Agonist Call Inactive Unitless O=C(OCCC1=CC=CC=C1)C1=CC=CC=C1 2-Phenylethyl benzoate 94-47-3|2-Phenylethyl benzoate|2-Fenylethylester kyseliny benzoove|4-09-00-00308|Benzyl carbinyl benzoate|Benzylcarbinyl benzoate|BRN 2052132|EINECS 202-336-5|FEMA No. 2860|NSC 24096|Phenethyl alcohol, benzoate|Phenethylbenzoate|Phenylethyl benzoate|UNII-0C143929GK https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047590
ERPathway2016 ERPathway2016_437 2-Phenylethyl benzoate 94-47-3 DTXSID9047590 A15 ER Pathway Model, Antagonist Call Active Unitless O=C(OCCC1=CC=CC=C1)C1=CC=CC=C1 2-Phenylethyl benzoate 94-47-3|2-Phenylethyl benzoate|2-Fenylethylester kyseliny benzoove|4-09-00-00308|Benzyl carbinyl benzoate|Benzylcarbinyl benzoate|BRN 2052132|EINECS 202-336-5|FEMA No. 2860|NSC 24096|Phenethyl alcohol, benzoate|Phenethylbenzoate|Phenylethyl benzoate|UNII-0C143929GK https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047590
ARPathway2016 ARPathway2016_1703 2-Phenylphenol 90-43-7 DTXSID2021151 1.0 A2 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=C(C=CC=C1)C1=CC=CC=C1 2-Phenylphenol 90-43-7|2-Phenylphenol|(1,1-Biphenyl)-2-ol|(1,1'-Biphenyl)-2-ol|[1,1'-Biphenyl]-2-ol|1-Hydroxy-2-phenylbenzene|1,1'-Biphenyl-2-ol|2-BIPHENYLOL|2-Fenylfenol|2-Hydroxy biphenyl|2-Hydroxy-1,1'-biphenyl|2-Hydroxybifenyl|2-Hydroxybiphenyl|2-Hydroxydiphenyl|2-Phenylphenol, BSI, ISO|4-06-00-04579|Anthrapole 73|bifenil-2-ol|Biphenyl-2-o1|Biphenyl-2-ol|Biphenyl, 2-hydroxy-|biphenyle-2-ol|Biphenylol|Britewood S|BRN 0606907|Caswell No. 623AA|Dowicide 1|Dowicide 1 antimicrobial|E231|EINECS 201-993-5|EPA Pesticide Chemical Code 064103|FEMA 3959|HBP|Hydroxdiphenyl|Hydroxy-2-phenylbenzene|Hydroxybiphenyl|Invalon OP|Kiwi lustr 277|Manusept|NCI-C50351|Nectryl|Nipacide OPP|NSC 1548|o-Biphenylol|o-Diphenylol|o-Hydroxybiphenyl|o-Hydroxydiphenyl|o-Phenyl phenol|O-Phenylphenate|o-Phenylphenol|o-Phenylphenol, cosmetic grade|o-Xenol|O-Xonal|OPP|Ortho-phenylphenate|Ortho-phenylphenol|Orthohydroxydipbenyl|Orthohydroxydiphenyl|Orthophenyl phenol|Orthophenylphenol|Orthoxenol|PHENOL, 2-PHENYL-|Phenol, o-phenyl-|Phenyl-2 phenol|Phenylphenol|Preventol 3041|Preve|192076-92-9|39387-78-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021151 https://doi.org/10.22427/NTP-DATA-DTXSID2021151
ARPathway2016 ARPathway2016_1703 2-Phenylphenol 90-43-7 DTXSID2021151 1.0 A2 AR Pathway Model, Agonist Model Score 0 Unitless OC1=C(C=CC=C1)C1=CC=CC=C1 2-Phenylphenol 90-43-7|2-Phenylphenol|(1,1-Biphenyl)-2-ol|(1,1'-Biphenyl)-2-ol|[1,1'-Biphenyl]-2-ol|1-Hydroxy-2-phenylbenzene|1,1'-Biphenyl-2-ol|2-BIPHENYLOL|2-Fenylfenol|2-Hydroxy biphenyl|2-Hydroxy-1,1'-biphenyl|2-Hydroxybifenyl|2-Hydroxybiphenyl|2-Hydroxydiphenyl|2-Phenylphenol, BSI, ISO|4-06-00-04579|Anthrapole 73|bifenil-2-ol|Biphenyl-2-o1|Biphenyl-2-ol|Biphenyl, 2-hydroxy-|biphenyle-2-ol|Biphenylol|Britewood S|BRN 0606907|Caswell No. 623AA|Dowicide 1|Dowicide 1 antimicrobial|E231|EINECS 201-993-5|EPA Pesticide Chemical Code 064103|FEMA 3959|HBP|Hydroxdiphenyl|Hydroxy-2-phenylbenzene|Hydroxybiphenyl|Invalon OP|Kiwi lustr 277|Manusept|NCI-C50351|Nectryl|Nipacide OPP|NSC 1548|o-Biphenylol|o-Diphenylol|o-Hydroxybiphenyl|o-Hydroxydiphenyl|o-Phenyl phenol|O-Phenylphenate|o-Phenylphenol|o-Phenylphenol, cosmetic grade|o-Xenol|O-Xonal|OPP|Ortho-phenylphenate|Ortho-phenylphenol|Orthohydroxydipbenyl|Orthohydroxydiphenyl|Orthophenyl phenol|Orthophenylphenol|Orthoxenol|PHENOL, 2-PHENYL-|Phenol, o-phenyl-|Phenyl-2 phenol|Phenylphenol|Preventol 3041|Preve|192076-92-9|39387-78-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021151 https://doi.org/10.22427/NTP-DATA-DTXSID2021151
ARPathway2016 ARPathway2016_1703 2-Phenylphenol 90-43-7 DTXSID2021151 1.0 A2 AR Pathway Model, Agonist Call Inactive Unitless OC1=C(C=CC=C1)C1=CC=CC=C1 2-Phenylphenol 90-43-7|2-Phenylphenol|(1,1-Biphenyl)-2-ol|(1,1'-Biphenyl)-2-ol|[1,1'-Biphenyl]-2-ol|1-Hydroxy-2-phenylbenzene|1,1'-Biphenyl-2-ol|2-BIPHENYLOL|2-Fenylfenol|2-Hydroxy biphenyl|2-Hydroxy-1,1'-biphenyl|2-Hydroxybifenyl|2-Hydroxybiphenyl|2-Hydroxydiphenyl|2-Phenylphenol, BSI, ISO|4-06-00-04579|Anthrapole 73|bifenil-2-ol|Biphenyl-2-o1|Biphenyl-2-ol|Biphenyl, 2-hydroxy-|biphenyle-2-ol|Biphenylol|Britewood S|BRN 0606907|Caswell No. 623AA|Dowicide 1|Dowicide 1 antimicrobial|E231|EINECS 201-993-5|EPA Pesticide Chemical Code 064103|FEMA 3959|HBP|Hydroxdiphenyl|Hydroxy-2-phenylbenzene|Hydroxybiphenyl|Invalon OP|Kiwi lustr 277|Manusept|NCI-C50351|Nectryl|Nipacide OPP|NSC 1548|o-Biphenylol|o-Diphenylol|o-Hydroxybiphenyl|o-Hydroxydiphenyl|o-Phenyl phenol|O-Phenylphenate|o-Phenylphenol|o-Phenylphenol, cosmetic grade|o-Xenol|O-Xonal|OPP|Ortho-phenylphenate|Ortho-phenylphenol|Orthohydroxydipbenyl|Orthohydroxydiphenyl|Orthophenyl phenol|Orthophenylphenol|Orthoxenol|PHENOL, 2-PHENYL-|Phenol, o-phenyl-|Phenyl-2 phenol|Phenylphenol|Preventol 3041|Preve|192076-92-9|39387-78-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021151 https://doi.org/10.22427/NTP-DATA-DTXSID2021151
ARPathway2016 ARPathway2016_1703 2-Phenylphenol 90-43-7 DTXSID2021151 1.0 A2 AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(C=CC=C1)C1=CC=CC=C1 2-Phenylphenol 90-43-7|2-Phenylphenol|(1,1-Biphenyl)-2-ol|(1,1'-Biphenyl)-2-ol|[1,1'-Biphenyl]-2-ol|1-Hydroxy-2-phenylbenzene|1,1'-Biphenyl-2-ol|2-BIPHENYLOL|2-Fenylfenol|2-Hydroxy biphenyl|2-Hydroxy-1,1'-biphenyl|2-Hydroxybifenyl|2-Hydroxybiphenyl|2-Hydroxydiphenyl|2-Phenylphenol, BSI, ISO|4-06-00-04579|Anthrapole 73|bifenil-2-ol|Biphenyl-2-o1|Biphenyl-2-ol|Biphenyl, 2-hydroxy-|biphenyle-2-ol|Biphenylol|Britewood S|BRN 0606907|Caswell No. 623AA|Dowicide 1|Dowicide 1 antimicrobial|E231|EINECS 201-993-5|EPA Pesticide Chemical Code 064103|FEMA 3959|HBP|Hydroxdiphenyl|Hydroxy-2-phenylbenzene|Hydroxybiphenyl|Invalon OP|Kiwi lustr 277|Manusept|NCI-C50351|Nectryl|Nipacide OPP|NSC 1548|o-Biphenylol|o-Diphenylol|o-Hydroxybiphenyl|o-Hydroxydiphenyl|o-Phenyl phenol|O-Phenylphenate|o-Phenylphenol|o-Phenylphenol, cosmetic grade|o-Xenol|O-Xonal|OPP|Ortho-phenylphenate|Ortho-phenylphenol|Orthohydroxydipbenyl|Orthohydroxydiphenyl|Orthophenyl phenol|Orthophenylphenol|Orthoxenol|PHENOL, 2-PHENYL-|Phenol, o-phenyl-|Phenyl-2 phenol|Phenylphenol|Preventol 3041|Preve|192076-92-9|39387-78-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021151 https://doi.org/10.22427/NTP-DATA-DTXSID2021151
ERPathway2016 ERPathway2016_438 2-Phenylphenol 90-43-7 DTXSID2021151 ER Pathway Model, Antagonist AC50 41.37403025207 uM OC1=C(C=CC=C1)C1=CC=CC=C1 2-Phenylphenol 90-43-7|2-Phenylphenol|(1,1-Biphenyl)-2-ol|(1,1'-Biphenyl)-2-ol|[1,1'-Biphenyl]-2-ol|1-Hydroxy-2-phenylbenzene|1,1'-Biphenyl-2-ol|2-BIPHENYLOL|2-Fenylfenol|2-Hydroxy biphenyl|2-Hydroxy-1,1'-biphenyl|2-Hydroxybifenyl|2-Hydroxybiphenyl|2-Hydroxydiphenyl|2-Phenylphenol, BSI, ISO|4-06-00-04579|Anthrapole 73|bifenil-2-ol|Biphenyl-2-o1|Biphenyl-2-ol|Biphenyl, 2-hydroxy-|biphenyle-2-ol|Biphenylol|Britewood S|BRN 0606907|Caswell No. 623AA|Dowicide 1|Dowicide 1 antimicrobial|E231|EINECS 201-993-5|EPA Pesticide Chemical Code 064103|FEMA 3959|HBP|Hydroxdiphenyl|Hydroxy-2-phenylbenzene|Hydroxybiphenyl|Invalon OP|Kiwi lustr 277|Manusept|NCI-C50351|Nectryl|Nipacide OPP|NSC 1548|o-Biphenylol|o-Diphenylol|o-Hydroxybiphenyl|o-Hydroxydiphenyl|o-Phenyl phenol|O-Phenylphenate|o-Phenylphenol|o-Phenylphenol, cosmetic grade|o-Xenol|O-Xonal|OPP|Ortho-phenylphenate|Ortho-phenylphenol|Orthohydroxydipbenyl|Orthohydroxydiphenyl|Orthophenyl phenol|Orthophenylphenol|Orthoxenol|PHENOL, 2-PHENYL-|Phenol, o-phenyl-|Phenyl-2 phenol|Phenylphenol|Preventol 3041|Preve|192076-92-9|39387-78-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021151 https://doi.org/10.22427/NTP-DATA-DTXSID2021151
ERPathway2016 ERPathway2016_438 2-Phenylphenol 90-43-7 DTXSID2021151 ER Pathway Model, Antagonist ACC 38.34237180221 uM OC1=C(C=CC=C1)C1=CC=CC=C1 2-Phenylphenol 90-43-7|2-Phenylphenol|(1,1-Biphenyl)-2-ol|(1,1'-Biphenyl)-2-ol|[1,1'-Biphenyl]-2-ol|1-Hydroxy-2-phenylbenzene|1,1'-Biphenyl-2-ol|2-BIPHENYLOL|2-Fenylfenol|2-Hydroxy biphenyl|2-Hydroxy-1,1'-biphenyl|2-Hydroxybifenyl|2-Hydroxybiphenyl|2-Hydroxydiphenyl|2-Phenylphenol, BSI, ISO|4-06-00-04579|Anthrapole 73|bifenil-2-ol|Biphenyl-2-o1|Biphenyl-2-ol|Biphenyl, 2-hydroxy-|biphenyle-2-ol|Biphenylol|Britewood S|BRN 0606907|Caswell No. 623AA|Dowicide 1|Dowicide 1 antimicrobial|E231|EINECS 201-993-5|EPA Pesticide Chemical Code 064103|FEMA 3959|HBP|Hydroxdiphenyl|Hydroxy-2-phenylbenzene|Hydroxybiphenyl|Invalon OP|Kiwi lustr 277|Manusept|NCI-C50351|Nectryl|Nipacide OPP|NSC 1548|o-Biphenylol|o-Diphenylol|o-Hydroxybiphenyl|o-Hydroxydiphenyl|o-Phenyl phenol|O-Phenylphenate|o-Phenylphenol|o-Phenylphenol, cosmetic grade|o-Xenol|O-Xonal|OPP|Ortho-phenylphenate|Ortho-phenylphenol|Orthohydroxydipbenyl|Orthohydroxydiphenyl|Orthophenyl phenol|Orthophenylphenol|Orthoxenol|PHENOL, 2-PHENYL-|Phenol, o-phenyl-|Phenyl-2 phenol|Phenylphenol|Preventol 3041|Preve|192076-92-9|39387-78-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021151 https://doi.org/10.22427/NTP-DATA-DTXSID2021151
ERPathway2016 ERPathway2016_438 2-Phenylphenol 90-43-7 DTXSID2021151 ER Pathway Model, Agonist Model Score 0.00543 Unitless OC1=C(C=CC=C1)C1=CC=CC=C1 2-Phenylphenol 90-43-7|2-Phenylphenol|(1,1-Biphenyl)-2-ol|(1,1'-Biphenyl)-2-ol|[1,1'-Biphenyl]-2-ol|1-Hydroxy-2-phenylbenzene|1,1'-Biphenyl-2-ol|2-BIPHENYLOL|2-Fenylfenol|2-Hydroxy biphenyl|2-Hydroxy-1,1'-biphenyl|2-Hydroxybifenyl|2-Hydroxybiphenyl|2-Hydroxydiphenyl|2-Phenylphenol, BSI, ISO|4-06-00-04579|Anthrapole 73|bifenil-2-ol|Biphenyl-2-o1|Biphenyl-2-ol|Biphenyl, 2-hydroxy-|biphenyle-2-ol|Biphenylol|Britewood S|BRN 0606907|Caswell No. 623AA|Dowicide 1|Dowicide 1 antimicrobial|E231|EINECS 201-993-5|EPA Pesticide Chemical Code 064103|FEMA 3959|HBP|Hydroxdiphenyl|Hydroxy-2-phenylbenzene|Hydroxybiphenyl|Invalon OP|Kiwi lustr 277|Manusept|NCI-C50351|Nectryl|Nipacide OPP|NSC 1548|o-Biphenylol|o-Diphenylol|o-Hydroxybiphenyl|o-Hydroxydiphenyl|o-Phenyl phenol|O-Phenylphenate|o-Phenylphenol|o-Phenylphenol, cosmetic grade|o-Xenol|O-Xonal|OPP|Ortho-phenylphenate|Ortho-phenylphenol|Orthohydroxydipbenyl|Orthohydroxydiphenyl|Orthophenyl phenol|Orthophenylphenol|Orthoxenol|PHENOL, 2-PHENYL-|Phenol, o-phenyl-|Phenyl-2 phenol|Phenylphenol|Preventol 3041|Preve|192076-92-9|39387-78-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021151 https://doi.org/10.22427/NTP-DATA-DTXSID2021151
ERPathway2016 ERPathway2016_438 2-Phenylphenol 90-43-7 DTXSID2021151 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C(C=CC=C1)C1=CC=CC=C1 2-Phenylphenol 90-43-7|2-Phenylphenol|(1,1-Biphenyl)-2-ol|(1,1'-Biphenyl)-2-ol|[1,1'-Biphenyl]-2-ol|1-Hydroxy-2-phenylbenzene|1,1'-Biphenyl-2-ol|2-BIPHENYLOL|2-Fenylfenol|2-Hydroxy biphenyl|2-Hydroxy-1,1'-biphenyl|2-Hydroxybifenyl|2-Hydroxybiphenyl|2-Hydroxydiphenyl|2-Phenylphenol, BSI, ISO|4-06-00-04579|Anthrapole 73|bifenil-2-ol|Biphenyl-2-o1|Biphenyl-2-ol|Biphenyl, 2-hydroxy-|biphenyle-2-ol|Biphenylol|Britewood S|BRN 0606907|Caswell No. 623AA|Dowicide 1|Dowicide 1 antimicrobial|E231|EINECS 201-993-5|EPA Pesticide Chemical Code 064103|FEMA 3959|HBP|Hydroxdiphenyl|Hydroxy-2-phenylbenzene|Hydroxybiphenyl|Invalon OP|Kiwi lustr 277|Manusept|NCI-C50351|Nectryl|Nipacide OPP|NSC 1548|o-Biphenylol|o-Diphenylol|o-Hydroxybiphenyl|o-Hydroxydiphenyl|o-Phenyl phenol|O-Phenylphenate|o-Phenylphenol|o-Phenylphenol, cosmetic grade|o-Xenol|O-Xonal|OPP|Ortho-phenylphenate|Ortho-phenylphenol|Orthohydroxydipbenyl|Orthohydroxydiphenyl|Orthophenyl phenol|Orthophenylphenol|Orthoxenol|PHENOL, 2-PHENYL-|Phenol, o-phenyl-|Phenyl-2 phenol|Phenylphenol|Preventol 3041|Preve|192076-92-9|39387-78-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021151 https://doi.org/10.22427/NTP-DATA-DTXSID2021151
ERPathway2016 ERPathway2016_438 2-Phenylphenol 90-43-7 DTXSID2021151 ER Pathway Model, Agonist Call Inactive Unitless OC1=C(C=CC=C1)C1=CC=CC=C1 2-Phenylphenol 90-43-7|2-Phenylphenol|(1,1-Biphenyl)-2-ol|(1,1'-Biphenyl)-2-ol|[1,1'-Biphenyl]-2-ol|1-Hydroxy-2-phenylbenzene|1,1'-Biphenyl-2-ol|2-BIPHENYLOL|2-Fenylfenol|2-Hydroxy biphenyl|2-Hydroxy-1,1'-biphenyl|2-Hydroxybifenyl|2-Hydroxybiphenyl|2-Hydroxydiphenyl|2-Phenylphenol, BSI, ISO|4-06-00-04579|Anthrapole 73|bifenil-2-ol|Biphenyl-2-o1|Biphenyl-2-ol|Biphenyl, 2-hydroxy-|biphenyle-2-ol|Biphenylol|Britewood S|BRN 0606907|Caswell No. 623AA|Dowicide 1|Dowicide 1 antimicrobial|E231|EINECS 201-993-5|EPA Pesticide Chemical Code 064103|FEMA 3959|HBP|Hydroxdiphenyl|Hydroxy-2-phenylbenzene|Hydroxybiphenyl|Invalon OP|Kiwi lustr 277|Manusept|NCI-C50351|Nectryl|Nipacide OPP|NSC 1548|o-Biphenylol|o-Diphenylol|o-Hydroxybiphenyl|o-Hydroxydiphenyl|o-Phenyl phenol|O-Phenylphenate|o-Phenylphenol|o-Phenylphenol, cosmetic grade|o-Xenol|O-Xonal|OPP|Ortho-phenylphenate|Ortho-phenylphenol|Orthohydroxydipbenyl|Orthohydroxydiphenyl|Orthophenyl phenol|Orthophenylphenol|Orthoxenol|PHENOL, 2-PHENYL-|Phenol, o-phenyl-|Phenyl-2 phenol|Phenylphenol|Preventol 3041|Preve|192076-92-9|39387-78-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021151 https://doi.org/10.22427/NTP-DATA-DTXSID2021151
ERPathway2016 ERPathway2016_438 2-Phenylphenol 90-43-7 DTXSID2021151 ER Pathway Model, Antagonist Call Active Unitless OC1=C(C=CC=C1)C1=CC=CC=C1 2-Phenylphenol 90-43-7|2-Phenylphenol|(1,1-Biphenyl)-2-ol|(1,1'-Biphenyl)-2-ol|[1,1'-Biphenyl]-2-ol|1-Hydroxy-2-phenylbenzene|1,1'-Biphenyl-2-ol|2-BIPHENYLOL|2-Fenylfenol|2-Hydroxy biphenyl|2-Hydroxy-1,1'-biphenyl|2-Hydroxybifenyl|2-Hydroxybiphenyl|2-Hydroxydiphenyl|2-Phenylphenol, BSI, ISO|4-06-00-04579|Anthrapole 73|bifenil-2-ol|Biphenyl-2-o1|Biphenyl-2-ol|Biphenyl, 2-hydroxy-|biphenyle-2-ol|Biphenylol|Britewood S|BRN 0606907|Caswell No. 623AA|Dowicide 1|Dowicide 1 antimicrobial|E231|EINECS 201-993-5|EPA Pesticide Chemical Code 064103|FEMA 3959|HBP|Hydroxdiphenyl|Hydroxy-2-phenylbenzene|Hydroxybiphenyl|Invalon OP|Kiwi lustr 277|Manusept|NCI-C50351|Nectryl|Nipacide OPP|NSC 1548|o-Biphenylol|o-Diphenylol|o-Hydroxybiphenyl|o-Hydroxydiphenyl|o-Phenyl phenol|O-Phenylphenate|o-Phenylphenol|o-Phenylphenol, cosmetic grade|o-Xenol|O-Xonal|OPP|Ortho-phenylphenate|Ortho-phenylphenol|Orthohydroxydipbenyl|Orthohydroxydiphenyl|Orthophenyl phenol|Orthophenylphenol|Orthoxenol|PHENOL, 2-PHENYL-|Phenol, o-phenyl-|Phenyl-2 phenol|Phenylphenol|Preventol 3041|Preve|192076-92-9|39387-78-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021151 https://doi.org/10.22427/NTP-DATA-DTXSID2021151
ARPathway2016 ARPathway2016_1097 2-Propoxyethanol 2807-30-9 DTXSID1027500 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCOCCO 2-Propoxyethanol 2807-30-9|2-Propoxyethanol|2-(propiloxi)etanol|2-(propyloxy)ethanol|2-PROPOXY ETHANOL|2-Propoxy-1-ethanol|AETHYLENGLYKOL-MONOPROPYLAETHER|BRN 1731983|EINECS 220-548-6|Ektasolve EP|Ethanol, 2-propoxy-|Ethylene glycol mono propyl ether|Ethylene glycol mono-n-propyl ether|Ethylene glycol monopropyl ether|Ethylene glycol propyl ether|Monopropyl ether of ethylene glycol|n-Propoxyethanol|n-Propyl Oxitol glycol|Propoxyethanol|Propyl cellosolve|Propyl glycol|Propylglycol|UNII-TF513KWZ2Y|83855-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027500
ARPathway2016 ARPathway2016_1097 2-Propoxyethanol 2807-30-9 DTXSID1027500 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCOCCO 2-Propoxyethanol 2807-30-9|2-Propoxyethanol|2-(propiloxi)etanol|2-(propyloxy)ethanol|2-PROPOXY ETHANOL|2-Propoxy-1-ethanol|AETHYLENGLYKOL-MONOPROPYLAETHER|BRN 1731983|EINECS 220-548-6|Ektasolve EP|Ethanol, 2-propoxy-|Ethylene glycol mono propyl ether|Ethylene glycol mono-n-propyl ether|Ethylene glycol monopropyl ether|Ethylene glycol propyl ether|Monopropyl ether of ethylene glycol|n-Propoxyethanol|n-Propyl Oxitol glycol|Propoxyethanol|Propyl cellosolve|Propyl glycol|Propylglycol|UNII-TF513KWZ2Y|83855-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027500
ARPathway2016 ARPathway2016_1097 2-Propoxyethanol 2807-30-9 DTXSID1027500 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCOCCO 2-Propoxyethanol 2807-30-9|2-Propoxyethanol|2-(propiloxi)etanol|2-(propyloxy)ethanol|2-PROPOXY ETHANOL|2-Propoxy-1-ethanol|AETHYLENGLYKOL-MONOPROPYLAETHER|BRN 1731983|EINECS 220-548-6|Ektasolve EP|Ethanol, 2-propoxy-|Ethylene glycol mono propyl ether|Ethylene glycol mono-n-propyl ether|Ethylene glycol monopropyl ether|Ethylene glycol propyl ether|Monopropyl ether of ethylene glycol|n-Propoxyethanol|n-Propyl Oxitol glycol|Propoxyethanol|Propyl cellosolve|Propyl glycol|Propylglycol|UNII-TF513KWZ2Y|83855-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027500
ARPathway2016 ARPathway2016_1097 2-Propoxyethanol 2807-30-9 DTXSID1027500 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCOCCO 2-Propoxyethanol 2807-30-9|2-Propoxyethanol|2-(propiloxi)etanol|2-(propyloxy)ethanol|2-PROPOXY ETHANOL|2-Propoxy-1-ethanol|AETHYLENGLYKOL-MONOPROPYLAETHER|BRN 1731983|EINECS 220-548-6|Ektasolve EP|Ethanol, 2-propoxy-|Ethylene glycol mono propyl ether|Ethylene glycol mono-n-propyl ether|Ethylene glycol monopropyl ether|Ethylene glycol propyl ether|Monopropyl ether of ethylene glycol|n-Propoxyethanol|n-Propyl Oxitol glycol|Propoxyethanol|Propyl cellosolve|Propyl glycol|Propylglycol|UNII-TF513KWZ2Y|83855-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027500
ERPathway2016 ERPathway2016_1426 2-Propoxyethanol 2807-30-9 DTXSID1027500 ER Pathway Model, Agonist Model Score 0 Unitless CCCOCCO 2-Propoxyethanol 2807-30-9|2-Propoxyethanol|2-(propiloxi)etanol|2-(propyloxy)ethanol|2-PROPOXY ETHANOL|2-Propoxy-1-ethanol|AETHYLENGLYKOL-MONOPROPYLAETHER|BRN 1731983|EINECS 220-548-6|Ektasolve EP|Ethanol, 2-propoxy-|Ethylene glycol mono propyl ether|Ethylene glycol mono-n-propyl ether|Ethylene glycol monopropyl ether|Ethylene glycol propyl ether|Monopropyl ether of ethylene glycol|n-Propoxyethanol|n-Propyl Oxitol glycol|Propoxyethanol|Propyl cellosolve|Propyl glycol|Propylglycol|UNII-TF513KWZ2Y|83855-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027500
ERPathway2016 ERPathway2016_1426 2-Propoxyethanol 2807-30-9 DTXSID1027500 ER Pathway Model, Antagonist Model Score 0 Unitless CCCOCCO 2-Propoxyethanol 2807-30-9|2-Propoxyethanol|2-(propiloxi)etanol|2-(propyloxy)ethanol|2-PROPOXY ETHANOL|2-Propoxy-1-ethanol|AETHYLENGLYKOL-MONOPROPYLAETHER|BRN 1731983|EINECS 220-548-6|Ektasolve EP|Ethanol, 2-propoxy-|Ethylene glycol mono propyl ether|Ethylene glycol mono-n-propyl ether|Ethylene glycol monopropyl ether|Ethylene glycol propyl ether|Monopropyl ether of ethylene glycol|n-Propoxyethanol|n-Propyl Oxitol glycol|Propoxyethanol|Propyl cellosolve|Propyl glycol|Propylglycol|UNII-TF513KWZ2Y|83855-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027500
ERPathway2016 ERPathway2016_1426 2-Propoxyethanol 2807-30-9 DTXSID1027500 ER Pathway Model, Agonist Call Inactive Unitless CCCOCCO 2-Propoxyethanol 2807-30-9|2-Propoxyethanol|2-(propiloxi)etanol|2-(propyloxy)ethanol|2-PROPOXY ETHANOL|2-Propoxy-1-ethanol|AETHYLENGLYKOL-MONOPROPYLAETHER|BRN 1731983|EINECS 220-548-6|Ektasolve EP|Ethanol, 2-propoxy-|Ethylene glycol mono propyl ether|Ethylene glycol mono-n-propyl ether|Ethylene glycol monopropyl ether|Ethylene glycol propyl ether|Monopropyl ether of ethylene glycol|n-Propoxyethanol|n-Propyl Oxitol glycol|Propoxyethanol|Propyl cellosolve|Propyl glycol|Propylglycol|UNII-TF513KWZ2Y|83855-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027500
ERPathway2016 ERPathway2016_1426 2-Propoxyethanol 2807-30-9 DTXSID1027500 ER Pathway Model, Antagonist Call Inactive Unitless CCCOCCO 2-Propoxyethanol 2807-30-9|2-Propoxyethanol|2-(propiloxi)etanol|2-(propyloxy)ethanol|2-PROPOXY ETHANOL|2-Propoxy-1-ethanol|AETHYLENGLYKOL-MONOPROPYLAETHER|BRN 1731983|EINECS 220-548-6|Ektasolve EP|Ethanol, 2-propoxy-|Ethylene glycol mono propyl ether|Ethylene glycol mono-n-propyl ether|Ethylene glycol monopropyl ether|Ethylene glycol propyl ether|Monopropyl ether of ethylene glycol|n-Propoxyethanol|n-Propyl Oxitol glycol|Propoxyethanol|Propyl cellosolve|Propyl glycol|Propylglycol|UNII-TF513KWZ2Y|83855-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027500
ARPathway2016 ARPathway2016_397 2-Propyl-1-heptanol 10042-59-8 DTXSID9029302 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCC(CO)CCC 2-Propyl-1-heptanol 10042-59-8|2-Propyl-1-heptanol|1- Heptanol, 2- propyl-|2-Propylheptan-1-ol|2-Propylheptanol|2-Propylheptyl alcohol|4-01-00-01827|BRN 1361442|EINECS 233-126-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029302
ARPathway2016 ARPathway2016_397 2-Propyl-1-heptanol 10042-59-8 DTXSID9029302 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCC(CO)CCC 2-Propyl-1-heptanol 10042-59-8|2-Propyl-1-heptanol|1- Heptanol, 2- propyl-|2-Propylheptan-1-ol|2-Propylheptanol|2-Propylheptyl alcohol|4-01-00-01827|BRN 1361442|EINECS 233-126-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029302
ARPathway2016 ARPathway2016_397 2-Propyl-1-heptanol 10042-59-8 DTXSID9029302 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCC(CO)CCC 2-Propyl-1-heptanol 10042-59-8|2-Propyl-1-heptanol|1- Heptanol, 2- propyl-|2-Propylheptan-1-ol|2-Propylheptanol|2-Propylheptyl alcohol|4-01-00-01827|BRN 1361442|EINECS 233-126-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029302
ARPathway2016 ARPathway2016_397 2-Propyl-1-heptanol 10042-59-8 DTXSID9029302 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCC(CO)CCC 2-Propyl-1-heptanol 10042-59-8|2-Propyl-1-heptanol|1- Heptanol, 2- propyl-|2-Propylheptan-1-ol|2-Propylheptanol|2-Propylheptyl alcohol|4-01-00-01827|BRN 1361442|EINECS 233-126-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029302
ERPathway2016 ERPathway2016_1054 2-Propyl-1-heptanol 10042-59-8 DTXSID9029302 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCC(CO)CCC 2-Propyl-1-heptanol 10042-59-8|2-Propyl-1-heptanol|1- Heptanol, 2- propyl-|2-Propylheptan-1-ol|2-Propylheptanol|2-Propylheptyl alcohol|4-01-00-01827|BRN 1361442|EINECS 233-126-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029302
ERPathway2016 ERPathway2016_1054 2-Propyl-1-heptanol 10042-59-8 DTXSID9029302 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCC(CO)CCC 2-Propyl-1-heptanol 10042-59-8|2-Propyl-1-heptanol|1- Heptanol, 2- propyl-|2-Propylheptan-1-ol|2-Propylheptanol|2-Propylheptyl alcohol|4-01-00-01827|BRN 1361442|EINECS 233-126-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029302
ERPathway2016 ERPathway2016_1054 2-Propyl-1-heptanol 10042-59-8 DTXSID9029302 ER Pathway Model, Agonist Call Inactive Unitless CCCCCC(CO)CCC 2-Propyl-1-heptanol 10042-59-8|2-Propyl-1-heptanol|1- Heptanol, 2- propyl-|2-Propylheptan-1-ol|2-Propylheptanol|2-Propylheptyl alcohol|4-01-00-01827|BRN 1361442|EINECS 233-126-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029302
ERPathway2016 ERPathway2016_1054 2-Propyl-1-heptanol 10042-59-8 DTXSID9029302 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCC(CO)CCC 2-Propyl-1-heptanol 10042-59-8|2-Propyl-1-heptanol|1- Heptanol, 2- propyl-|2-Propylheptan-1-ol|2-Propylheptanol|2-Propylheptyl alcohol|4-01-00-01827|BRN 1361442|EINECS 233-126-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029302
ARPathway2016 ARPathway2016_1402 2-Pyrrolidinone 616-45-5 DTXSID8027246 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C1CCCN1 2-Pyrrolidinone 616-45-5|2-Pyrrolidinone|1-azacyclopentan-2-one|2-ketopyrrolidine|2-Oxopyrrolidine|2-pirrolidona|2-Pyrol4-aminobutyric acid lactam|2-Pyrrolidon|2-Pyrrolidone|2-Pyrrolidone for synthesis|2-Pyrrolidone-Butyrolactam|2-Tetrahydropyrrolone|4-Aminobutyric acid lactam|alpha-pyrrolidinone|alpha-pyrrolidone|Aminobutyric acid lactam|Aminobutyric lactam|Aminobutyrolactam|Azacyclopentan-2-one|Butanoic acid, 4-amino-, lactam|Butyrolactam|EINECS 210-483-1|gamma-aminobutyric acid lactam|gamma-aminobutyric lactam|gamma-Aminobutyrolactam|gamma-butyrolactam|N-Methyl-2-pyrrolidinone|NSC 4593|NSC 8413|PYRROLID-2-ONE|Pyrrolidin-2-one|Pyrrolidinone|Pyrrolidon|Pyrrolidone|Pyrrolidone-2|Soluphor P|Tetrahydropyrrolone|UNII-KKL5D39EOL|a-Pyrrolidinone|a-Pyrrolidone|g-Aminobutyric acid lactam|g-Aminobutyric lactam|g-Aminobutyrolactam|g-Butyrolactam https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027246
ARPathway2016 ARPathway2016_1402 2-Pyrrolidinone 616-45-5 DTXSID8027246 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C1CCCN1 2-Pyrrolidinone 616-45-5|2-Pyrrolidinone|1-azacyclopentan-2-one|2-ketopyrrolidine|2-Oxopyrrolidine|2-pirrolidona|2-Pyrol4-aminobutyric acid lactam|2-Pyrrolidon|2-Pyrrolidone|2-Pyrrolidone for synthesis|2-Pyrrolidone-Butyrolactam|2-Tetrahydropyrrolone|4-Aminobutyric acid lactam|alpha-pyrrolidinone|alpha-pyrrolidone|Aminobutyric acid lactam|Aminobutyric lactam|Aminobutyrolactam|Azacyclopentan-2-one|Butanoic acid, 4-amino-, lactam|Butyrolactam|EINECS 210-483-1|gamma-aminobutyric acid lactam|gamma-aminobutyric lactam|gamma-Aminobutyrolactam|gamma-butyrolactam|N-Methyl-2-pyrrolidinone|NSC 4593|NSC 8413|PYRROLID-2-ONE|Pyrrolidin-2-one|Pyrrolidinone|Pyrrolidon|Pyrrolidone|Pyrrolidone-2|Soluphor P|Tetrahydropyrrolone|UNII-KKL5D39EOL|a-Pyrrolidinone|a-Pyrrolidone|g-Aminobutyric acid lactam|g-Aminobutyric lactam|g-Aminobutyrolactam|g-Butyrolactam https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027246
ARPathway2016 ARPathway2016_1402 2-Pyrrolidinone 616-45-5 DTXSID8027246 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C1CCCN1 2-Pyrrolidinone 616-45-5|2-Pyrrolidinone|1-azacyclopentan-2-one|2-ketopyrrolidine|2-Oxopyrrolidine|2-pirrolidona|2-Pyrol4-aminobutyric acid lactam|2-Pyrrolidon|2-Pyrrolidone|2-Pyrrolidone for synthesis|2-Pyrrolidone-Butyrolactam|2-Tetrahydropyrrolone|4-Aminobutyric acid lactam|alpha-pyrrolidinone|alpha-pyrrolidone|Aminobutyric acid lactam|Aminobutyric lactam|Aminobutyrolactam|Azacyclopentan-2-one|Butanoic acid, 4-amino-, lactam|Butyrolactam|EINECS 210-483-1|gamma-aminobutyric acid lactam|gamma-aminobutyric lactam|gamma-Aminobutyrolactam|gamma-butyrolactam|N-Methyl-2-pyrrolidinone|NSC 4593|NSC 8413|PYRROLID-2-ONE|Pyrrolidin-2-one|Pyrrolidinone|Pyrrolidon|Pyrrolidone|Pyrrolidone-2|Soluphor P|Tetrahydropyrrolone|UNII-KKL5D39EOL|a-Pyrrolidinone|a-Pyrrolidone|g-Aminobutyric acid lactam|g-Aminobutyric lactam|g-Aminobutyrolactam|g-Butyrolactam https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027246
ARPathway2016 ARPathway2016_1402 2-Pyrrolidinone 616-45-5 DTXSID8027246 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C1CCCN1 2-Pyrrolidinone 616-45-5|2-Pyrrolidinone|1-azacyclopentan-2-one|2-ketopyrrolidine|2-Oxopyrrolidine|2-pirrolidona|2-Pyrol4-aminobutyric acid lactam|2-Pyrrolidon|2-Pyrrolidone|2-Pyrrolidone for synthesis|2-Pyrrolidone-Butyrolactam|2-Tetrahydropyrrolone|4-Aminobutyric acid lactam|alpha-pyrrolidinone|alpha-pyrrolidone|Aminobutyric acid lactam|Aminobutyric lactam|Aminobutyrolactam|Azacyclopentan-2-one|Butanoic acid, 4-amino-, lactam|Butyrolactam|EINECS 210-483-1|gamma-aminobutyric acid lactam|gamma-aminobutyric lactam|gamma-Aminobutyrolactam|gamma-butyrolactam|N-Methyl-2-pyrrolidinone|NSC 4593|NSC 8413|PYRROLID-2-ONE|Pyrrolidin-2-one|Pyrrolidinone|Pyrrolidon|Pyrrolidone|Pyrrolidone-2|Soluphor P|Tetrahydropyrrolone|UNII-KKL5D39EOL|a-Pyrrolidinone|a-Pyrrolidone|g-Aminobutyric acid lactam|g-Aminobutyric lactam|g-Aminobutyrolactam|g-Butyrolactam https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027246
ERPathway2016 ERPathway2016_1010 2-Pyrrolidinone 616-45-5 DTXSID8027246 A15 ER Pathway Model, Agonist Model Score 0 Unitless O=C1CCCN1 2-Pyrrolidinone 616-45-5|2-Pyrrolidinone|1-azacyclopentan-2-one|2-ketopyrrolidine|2-Oxopyrrolidine|2-pirrolidona|2-Pyrol4-aminobutyric acid lactam|2-Pyrrolidon|2-Pyrrolidone|2-Pyrrolidone for synthesis|2-Pyrrolidone-Butyrolactam|2-Tetrahydropyrrolone|4-Aminobutyric acid lactam|alpha-pyrrolidinone|alpha-pyrrolidone|Aminobutyric acid lactam|Aminobutyric lactam|Aminobutyrolactam|Azacyclopentan-2-one|Butanoic acid, 4-amino-, lactam|Butyrolactam|EINECS 210-483-1|gamma-aminobutyric acid lactam|gamma-aminobutyric lactam|gamma-Aminobutyrolactam|gamma-butyrolactam|N-Methyl-2-pyrrolidinone|NSC 4593|NSC 8413|PYRROLID-2-ONE|Pyrrolidin-2-one|Pyrrolidinone|Pyrrolidon|Pyrrolidone|Pyrrolidone-2|Soluphor P|Tetrahydropyrrolone|UNII-KKL5D39EOL|a-Pyrrolidinone|a-Pyrrolidone|g-Aminobutyric acid lactam|g-Aminobutyric lactam|g-Aminobutyrolactam|g-Butyrolactam https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027246
ERPathway2016 ERPathway2016_1010 2-Pyrrolidinone 616-45-5 DTXSID8027246 A15 ER Pathway Model, Antagonist Model Score 0 Unitless O=C1CCCN1 2-Pyrrolidinone 616-45-5|2-Pyrrolidinone|1-azacyclopentan-2-one|2-ketopyrrolidine|2-Oxopyrrolidine|2-pirrolidona|2-Pyrol4-aminobutyric acid lactam|2-Pyrrolidon|2-Pyrrolidone|2-Pyrrolidone for synthesis|2-Pyrrolidone-Butyrolactam|2-Tetrahydropyrrolone|4-Aminobutyric acid lactam|alpha-pyrrolidinone|alpha-pyrrolidone|Aminobutyric acid lactam|Aminobutyric lactam|Aminobutyrolactam|Azacyclopentan-2-one|Butanoic acid, 4-amino-, lactam|Butyrolactam|EINECS 210-483-1|gamma-aminobutyric acid lactam|gamma-aminobutyric lactam|gamma-Aminobutyrolactam|gamma-butyrolactam|N-Methyl-2-pyrrolidinone|NSC 4593|NSC 8413|PYRROLID-2-ONE|Pyrrolidin-2-one|Pyrrolidinone|Pyrrolidon|Pyrrolidone|Pyrrolidone-2|Soluphor P|Tetrahydropyrrolone|UNII-KKL5D39EOL|a-Pyrrolidinone|a-Pyrrolidone|g-Aminobutyric acid lactam|g-Aminobutyric lactam|g-Aminobutyrolactam|g-Butyrolactam https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027246
ERPathway2016 ERPathway2016_1010 2-Pyrrolidinone 616-45-5 DTXSID8027246 A15 ER Pathway Model, Agonist Call Inactive Unitless O=C1CCCN1 2-Pyrrolidinone 616-45-5|2-Pyrrolidinone|1-azacyclopentan-2-one|2-ketopyrrolidine|2-Oxopyrrolidine|2-pirrolidona|2-Pyrol4-aminobutyric acid lactam|2-Pyrrolidon|2-Pyrrolidone|2-Pyrrolidone for synthesis|2-Pyrrolidone-Butyrolactam|2-Tetrahydropyrrolone|4-Aminobutyric acid lactam|alpha-pyrrolidinone|alpha-pyrrolidone|Aminobutyric acid lactam|Aminobutyric lactam|Aminobutyrolactam|Azacyclopentan-2-one|Butanoic acid, 4-amino-, lactam|Butyrolactam|EINECS 210-483-1|gamma-aminobutyric acid lactam|gamma-aminobutyric lactam|gamma-Aminobutyrolactam|gamma-butyrolactam|N-Methyl-2-pyrrolidinone|NSC 4593|NSC 8413|PYRROLID-2-ONE|Pyrrolidin-2-one|Pyrrolidinone|Pyrrolidon|Pyrrolidone|Pyrrolidone-2|Soluphor P|Tetrahydropyrrolone|UNII-KKL5D39EOL|a-Pyrrolidinone|a-Pyrrolidone|g-Aminobutyric acid lactam|g-Aminobutyric lactam|g-Aminobutyrolactam|g-Butyrolactam https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027246
ERPathway2016 ERPathway2016_1010 2-Pyrrolidinone 616-45-5 DTXSID8027246 A15 ER Pathway Model, Antagonist Call Inactive Unitless O=C1CCCN1 2-Pyrrolidinone 616-45-5|2-Pyrrolidinone|1-azacyclopentan-2-one|2-ketopyrrolidine|2-Oxopyrrolidine|2-pirrolidona|2-Pyrol4-aminobutyric acid lactam|2-Pyrrolidon|2-Pyrrolidone|2-Pyrrolidone for synthesis|2-Pyrrolidone-Butyrolactam|2-Tetrahydropyrrolone|4-Aminobutyric acid lactam|alpha-pyrrolidinone|alpha-pyrrolidone|Aminobutyric acid lactam|Aminobutyric lactam|Aminobutyrolactam|Azacyclopentan-2-one|Butanoic acid, 4-amino-, lactam|Butyrolactam|EINECS 210-483-1|gamma-aminobutyric acid lactam|gamma-aminobutyric lactam|gamma-Aminobutyrolactam|gamma-butyrolactam|N-Methyl-2-pyrrolidinone|NSC 4593|NSC 8413|PYRROLID-2-ONE|Pyrrolidin-2-one|Pyrrolidinone|Pyrrolidon|Pyrrolidone|Pyrrolidone-2|Soluphor P|Tetrahydropyrrolone|UNII-KKL5D39EOL|a-Pyrrolidinone|a-Pyrrolidone|g-Aminobutyric acid lactam|g-Aminobutyric lactam|g-Aminobutyrolactam|g-Butyrolactam https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027246
ARPathway2016 ARPathway2016_865 2-sec-Butylcyclohexan-1-one 14765-30-1 DTXSID4041818 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(C)C1CCCCC1=O 2-sec-Butylcyclohexan-1-one 14765-30-1|2-sec-Butylcyclohexan-1-one|2-(1-Methylpropyl)cyclohexanone|2-sec-Butylcyclohexanone|2-sec.-Butylcyclohexanone (Cyclohexanone, 2-(1-methylpropyl)-)|BRN 1859137|Butylcyclohexanone, O-sec-|Cyclohexanone, 2-(1-methylpropyl)-|Cyclohexanone, 2-sec-butyl-|EINECS 238-830-2|FEMA No. 3261|NSC 21146|UNII-5WA6R1KL5J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041818
ARPathway2016 ARPathway2016_865 2-sec-Butylcyclohexan-1-one 14765-30-1 DTXSID4041818 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)C1CCCCC1=O 2-sec-Butylcyclohexan-1-one 14765-30-1|2-sec-Butylcyclohexan-1-one|2-(1-Methylpropyl)cyclohexanone|2-sec-Butylcyclohexanone|2-sec.-Butylcyclohexanone (Cyclohexanone, 2-(1-methylpropyl)-)|BRN 1859137|Butylcyclohexanone, O-sec-|Cyclohexanone, 2-(1-methylpropyl)-|Cyclohexanone, 2-sec-butyl-|EINECS 238-830-2|FEMA No. 3261|NSC 21146|UNII-5WA6R1KL5J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041818
ARPathway2016 ARPathway2016_865 2-sec-Butylcyclohexan-1-one 14765-30-1 DTXSID4041818 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC(C)C1CCCCC1=O 2-sec-Butylcyclohexan-1-one 14765-30-1|2-sec-Butylcyclohexan-1-one|2-(1-Methylpropyl)cyclohexanone|2-sec-Butylcyclohexanone|2-sec.-Butylcyclohexanone (Cyclohexanone, 2-(1-methylpropyl)-)|BRN 1859137|Butylcyclohexanone, O-sec-|Cyclohexanone, 2-(1-methylpropyl)-|Cyclohexanone, 2-sec-butyl-|EINECS 238-830-2|FEMA No. 3261|NSC 21146|UNII-5WA6R1KL5J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041818
ARPathway2016 ARPathway2016_865 2-sec-Butylcyclohexan-1-one 14765-30-1 DTXSID4041818 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)C1CCCCC1=O 2-sec-Butylcyclohexan-1-one 14765-30-1|2-sec-Butylcyclohexan-1-one|2-(1-Methylpropyl)cyclohexanone|2-sec-Butylcyclohexanone|2-sec.-Butylcyclohexanone (Cyclohexanone, 2-(1-methylpropyl)-)|BRN 1859137|Butylcyclohexanone, O-sec-|Cyclohexanone, 2-(1-methylpropyl)-|Cyclohexanone, 2-sec-butyl-|EINECS 238-830-2|FEMA No. 3261|NSC 21146|UNII-5WA6R1KL5J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041818
ERPathway2016 ERPathway2016_1312 2-sec-Butylcyclohexan-1-one 14765-30-1 DTXSID4041818 ER Pathway Model, Agonist Model Score 0 Unitless CCC(C)C1CCCCC1=O 2-sec-Butylcyclohexan-1-one 14765-30-1|2-sec-Butylcyclohexan-1-one|2-(1-Methylpropyl)cyclohexanone|2-sec-Butylcyclohexanone|2-sec.-Butylcyclohexanone (Cyclohexanone, 2-(1-methylpropyl)-)|BRN 1859137|Butylcyclohexanone, O-sec-|Cyclohexanone, 2-(1-methylpropyl)-|Cyclohexanone, 2-sec-butyl-|EINECS 238-830-2|FEMA No. 3261|NSC 21146|UNII-5WA6R1KL5J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041818
ERPathway2016 ERPathway2016_1312 2-sec-Butylcyclohexan-1-one 14765-30-1 DTXSID4041818 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)C1CCCCC1=O 2-sec-Butylcyclohexan-1-one 14765-30-1|2-sec-Butylcyclohexan-1-one|2-(1-Methylpropyl)cyclohexanone|2-sec-Butylcyclohexanone|2-sec.-Butylcyclohexanone (Cyclohexanone, 2-(1-methylpropyl)-)|BRN 1859137|Butylcyclohexanone, O-sec-|Cyclohexanone, 2-(1-methylpropyl)-|Cyclohexanone, 2-sec-butyl-|EINECS 238-830-2|FEMA No. 3261|NSC 21146|UNII-5WA6R1KL5J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041818
ERPathway2016 ERPathway2016_1312 2-sec-Butylcyclohexan-1-one 14765-30-1 DTXSID4041818 ER Pathway Model, Agonist Call Inactive Unitless CCC(C)C1CCCCC1=O 2-sec-Butylcyclohexan-1-one 14765-30-1|2-sec-Butylcyclohexan-1-one|2-(1-Methylpropyl)cyclohexanone|2-sec-Butylcyclohexanone|2-sec.-Butylcyclohexanone (Cyclohexanone, 2-(1-methylpropyl)-)|BRN 1859137|Butylcyclohexanone, O-sec-|Cyclohexanone, 2-(1-methylpropyl)-|Cyclohexanone, 2-sec-butyl-|EINECS 238-830-2|FEMA No. 3261|NSC 21146|UNII-5WA6R1KL5J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041818
ERPathway2016 ERPathway2016_1312 2-sec-Butylcyclohexan-1-one 14765-30-1 DTXSID4041818 ER Pathway Model, Antagonist Call Inactive Unitless CCC(C)C1CCCCC1=O 2-sec-Butylcyclohexan-1-one 14765-30-1|2-sec-Butylcyclohexan-1-one|2-(1-Methylpropyl)cyclohexanone|2-sec-Butylcyclohexanone|2-sec.-Butylcyclohexanone (Cyclohexanone, 2-(1-methylpropyl)-)|BRN 1859137|Butylcyclohexanone, O-sec-|Cyclohexanone, 2-(1-methylpropyl)-|Cyclohexanone, 2-sec-butyl-|EINECS 238-830-2|FEMA No. 3261|NSC 21146|UNII-5WA6R1KL5J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041818
ARPathway2016 ARPathway2016_1785 2-tert-Butyl-4-ethylphenol 96-70-8 DTXSID4044581 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CCC1=CC(=C(O)C=C1)C(C)(C)C 2-tert-Butyl-4-ethylphenol 96-70-8|2-tert-Butyl-4-ethylphenol|4-Ethyl-2-tert-butylphenol|Benzene, 2-tert-butyl-4-ethyl-1-hydroxy-|EINECS 202-526-8|Phenol, 2-(1,1-dimethylethyl)-4-ethyl-|Phenol, 2-tert-butyl-4-ethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044581
ARPathway2016 ARPathway2016_1785 2-tert-Butyl-4-ethylphenol 96-70-8 DTXSID4044581 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CCC1=CC(=C(O)C=C1)C(C)(C)C 2-tert-Butyl-4-ethylphenol 96-70-8|2-tert-Butyl-4-ethylphenol|4-Ethyl-2-tert-butylphenol|Benzene, 2-tert-butyl-4-ethyl-1-hydroxy-|EINECS 202-526-8|Phenol, 2-(1,1-dimethylethyl)-4-ethyl-|Phenol, 2-tert-butyl-4-ethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044581
ARPathway2016 ARPathway2016_1785 2-tert-Butyl-4-ethylphenol 96-70-8 DTXSID4044581 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CCC1=CC(=C(O)C=C1)C(C)(C)C 2-tert-Butyl-4-ethylphenol 96-70-8|2-tert-Butyl-4-ethylphenol|4-Ethyl-2-tert-butylphenol|Benzene, 2-tert-butyl-4-ethyl-1-hydroxy-|EINECS 202-526-8|Phenol, 2-(1,1-dimethylethyl)-4-ethyl-|Phenol, 2-tert-butyl-4-ethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044581
ARPathway2016 ARPathway2016_1785 2-tert-Butyl-4-ethylphenol 96-70-8 DTXSID4044581 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CCC1=CC(=C(O)C=C1)C(C)(C)C 2-tert-Butyl-4-ethylphenol 96-70-8|2-tert-Butyl-4-ethylphenol|4-Ethyl-2-tert-butylphenol|Benzene, 2-tert-butyl-4-ethyl-1-hydroxy-|EINECS 202-526-8|Phenol, 2-(1,1-dimethylethyl)-4-ethyl-|Phenol, 2-tert-butyl-4-ethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044581
ERPathway2016 ERPathway2016_341 2-tert-Butyl-4-ethylphenol 96-70-8 DTXSID4044581 ER Pathway Model, Antagonist AC50 21.3260931210012 uM CCC1=CC(=C(O)C=C1)C(C)(C)C 2-tert-Butyl-4-ethylphenol 96-70-8|2-tert-Butyl-4-ethylphenol|4-Ethyl-2-tert-butylphenol|Benzene, 2-tert-butyl-4-ethyl-1-hydroxy-|EINECS 202-526-8|Phenol, 2-(1,1-dimethylethyl)-4-ethyl-|Phenol, 2-tert-butyl-4-ethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044581
ERPathway2016 ERPathway2016_341 2-tert-Butyl-4-ethylphenol 96-70-8 DTXSID4044581 ER Pathway Model, Antagonist ACC 17.9855542532379 uM CCC1=CC(=C(O)C=C1)C(C)(C)C 2-tert-Butyl-4-ethylphenol 96-70-8|2-tert-Butyl-4-ethylphenol|4-Ethyl-2-tert-butylphenol|Benzene, 2-tert-butyl-4-ethyl-1-hydroxy-|EINECS 202-526-8|Phenol, 2-(1,1-dimethylethyl)-4-ethyl-|Phenol, 2-tert-butyl-4-ethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044581
ERPathway2016 ERPathway2016_341 2-tert-Butyl-4-ethylphenol 96-70-8 DTXSID4044581 ER Pathway Model, Agonist Model Score 0.0193 Unitless CCC1=CC(=C(O)C=C1)C(C)(C)C 2-tert-Butyl-4-ethylphenol 96-70-8|2-tert-Butyl-4-ethylphenol|4-Ethyl-2-tert-butylphenol|Benzene, 2-tert-butyl-4-ethyl-1-hydroxy-|EINECS 202-526-8|Phenol, 2-(1,1-dimethylethyl)-4-ethyl-|Phenol, 2-tert-butyl-4-ethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044581
ERPathway2016 ERPathway2016_341 2-tert-Butyl-4-ethylphenol 96-70-8 DTXSID4044581 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=CC(=C(O)C=C1)C(C)(C)C 2-tert-Butyl-4-ethylphenol 96-70-8|2-tert-Butyl-4-ethylphenol|4-Ethyl-2-tert-butylphenol|Benzene, 2-tert-butyl-4-ethyl-1-hydroxy-|EINECS 202-526-8|Phenol, 2-(1,1-dimethylethyl)-4-ethyl-|Phenol, 2-tert-butyl-4-ethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044581
ERPathway2016 ERPathway2016_341 2-tert-Butyl-4-ethylphenol 96-70-8 DTXSID4044581 ER Pathway Model, Agonist Call Inactive Unitless CCC1=CC(=C(O)C=C1)C(C)(C)C 2-tert-Butyl-4-ethylphenol 96-70-8|2-tert-Butyl-4-ethylphenol|4-Ethyl-2-tert-butylphenol|Benzene, 2-tert-butyl-4-ethyl-1-hydroxy-|EINECS 202-526-8|Phenol, 2-(1,1-dimethylethyl)-4-ethyl-|Phenol, 2-tert-butyl-4-ethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044581
ERPathway2016 ERPathway2016_341 2-tert-Butyl-4-ethylphenol 96-70-8 DTXSID4044581 ER Pathway Model, Antagonist Call Active Unitless CCC1=CC(=C(O)C=C1)C(C)(C)C 2-tert-Butyl-4-ethylphenol 96-70-8|2-tert-Butyl-4-ethylphenol|4-Ethyl-2-tert-butylphenol|Benzene, 2-tert-butyl-4-ethyl-1-hydroxy-|EINECS 202-526-8|Phenol, 2-(1,1-dimethylethyl)-4-ethyl-|Phenol, 2-tert-butyl-4-ethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044581
ARPathway2016 ARPathway2016_682 2-tert-Butyl-4-methoxyphenol 121-00-6 DTXSID7040788 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(O)C(=C1)C(C)(C)C 2-tert-Butyl-4-methoxyphenol 121-00-6|2-tert-Butyl-4-methoxyphenol|1,1 -Dimethylethyl-4-methoxyphenol|2-(1,1-Dimethylethyl)-4-methoxy-phenol|2-(1,1-dimethylethyl)-4-methoxyphenol|2-Butyl-4-hydroxyanisole|3-(1,1-dimethylethyl)-4-hydroxyanisole|3-BHA|3-tert-Butyl-4-hydroxyanisole|3-tert-butyl-p-hydroxyanisole|4-hydroxy-3-tert-butylanisole|4-methoxy-2-tert-butylphenol|4-methoxy-6-tert-butylphenol|BHA|BRN 1867499|Butylated hydroxyanisole I|EINECS 204-442-7|o-tert-butyl-p-methoxyphenol|p-methoxy-o-tert-butylphenol|Phenol, 2- (1, 1- dimethylethyl) - 4- methoxy-|Phenol, 2-tert-butyl-4-methoxy-|UNII-62RAC24292|1341-82-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040788
ARPathway2016 ARPathway2016_682 2-tert-Butyl-4-methoxyphenol 121-00-6 DTXSID7040788 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(O)C(=C1)C(C)(C)C 2-tert-Butyl-4-methoxyphenol 121-00-6|2-tert-Butyl-4-methoxyphenol|1,1 -Dimethylethyl-4-methoxyphenol|2-(1,1-Dimethylethyl)-4-methoxy-phenol|2-(1,1-dimethylethyl)-4-methoxyphenol|2-Butyl-4-hydroxyanisole|3-(1,1-dimethylethyl)-4-hydroxyanisole|3-BHA|3-tert-Butyl-4-hydroxyanisole|3-tert-butyl-p-hydroxyanisole|4-hydroxy-3-tert-butylanisole|4-methoxy-2-tert-butylphenol|4-methoxy-6-tert-butylphenol|BHA|BRN 1867499|Butylated hydroxyanisole I|EINECS 204-442-7|o-tert-butyl-p-methoxyphenol|p-methoxy-o-tert-butylphenol|Phenol, 2- (1, 1- dimethylethyl) - 4- methoxy-|Phenol, 2-tert-butyl-4-methoxy-|UNII-62RAC24292|1341-82-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040788
ARPathway2016 ARPathway2016_682 2-tert-Butyl-4-methoxyphenol 121-00-6 DTXSID7040788 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(O)C(=C1)C(C)(C)C 2-tert-Butyl-4-methoxyphenol 121-00-6|2-tert-Butyl-4-methoxyphenol|1,1 -Dimethylethyl-4-methoxyphenol|2-(1,1-Dimethylethyl)-4-methoxy-phenol|2-(1,1-dimethylethyl)-4-methoxyphenol|2-Butyl-4-hydroxyanisole|3-(1,1-dimethylethyl)-4-hydroxyanisole|3-BHA|3-tert-Butyl-4-hydroxyanisole|3-tert-butyl-p-hydroxyanisole|4-hydroxy-3-tert-butylanisole|4-methoxy-2-tert-butylphenol|4-methoxy-6-tert-butylphenol|BHA|BRN 1867499|Butylated hydroxyanisole I|EINECS 204-442-7|o-tert-butyl-p-methoxyphenol|p-methoxy-o-tert-butylphenol|Phenol, 2- (1, 1- dimethylethyl) - 4- methoxy-|Phenol, 2-tert-butyl-4-methoxy-|UNII-62RAC24292|1341-82-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040788
ARPathway2016 ARPathway2016_682 2-tert-Butyl-4-methoxyphenol 121-00-6 DTXSID7040788 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(O)C(=C1)C(C)(C)C 2-tert-Butyl-4-methoxyphenol 121-00-6|2-tert-Butyl-4-methoxyphenol|1,1 -Dimethylethyl-4-methoxyphenol|2-(1,1-Dimethylethyl)-4-methoxy-phenol|2-(1,1-dimethylethyl)-4-methoxyphenol|2-Butyl-4-hydroxyanisole|3-(1,1-dimethylethyl)-4-hydroxyanisole|3-BHA|3-tert-Butyl-4-hydroxyanisole|3-tert-butyl-p-hydroxyanisole|4-hydroxy-3-tert-butylanisole|4-methoxy-2-tert-butylphenol|4-methoxy-6-tert-butylphenol|BHA|BRN 1867499|Butylated hydroxyanisole I|EINECS 204-442-7|o-tert-butyl-p-methoxyphenol|p-methoxy-o-tert-butylphenol|Phenol, 2- (1, 1- dimethylethyl) - 4- methoxy-|Phenol, 2-tert-butyl-4-methoxy-|UNII-62RAC24292|1341-82-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040788
ERPathway2016 ERPathway2016_369 2-tert-Butyl-4-methoxyphenol 121-00-6 DTXSID7040788 ER Pathway Model, Antagonist AC50 53.0811678218426 uM COC1=CC=C(O)C(=C1)C(C)(C)C 2-tert-Butyl-4-methoxyphenol 121-00-6|2-tert-Butyl-4-methoxyphenol|1,1 -Dimethylethyl-4-methoxyphenol|2-(1,1-Dimethylethyl)-4-methoxy-phenol|2-(1,1-dimethylethyl)-4-methoxyphenol|2-Butyl-4-hydroxyanisole|3-(1,1-dimethylethyl)-4-hydroxyanisole|3-BHA|3-tert-Butyl-4-hydroxyanisole|3-tert-butyl-p-hydroxyanisole|4-hydroxy-3-tert-butylanisole|4-methoxy-2-tert-butylphenol|4-methoxy-6-tert-butylphenol|BHA|BRN 1867499|Butylated hydroxyanisole I|EINECS 204-442-7|o-tert-butyl-p-methoxyphenol|p-methoxy-o-tert-butylphenol|Phenol, 2- (1, 1- dimethylethyl) - 4- methoxy-|Phenol, 2-tert-butyl-4-methoxy-|UNII-62RAC24292|1341-82-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040788
ERPathway2016 ERPathway2016_369 2-tert-Butyl-4-methoxyphenol 121-00-6 DTXSID7040788 ER Pathway Model, Antagonist ACC 34.3137252443965 uM COC1=CC=C(O)C(=C1)C(C)(C)C 2-tert-Butyl-4-methoxyphenol 121-00-6|2-tert-Butyl-4-methoxyphenol|1,1 -Dimethylethyl-4-methoxyphenol|2-(1,1-Dimethylethyl)-4-methoxy-phenol|2-(1,1-dimethylethyl)-4-methoxyphenol|2-Butyl-4-hydroxyanisole|3-(1,1-dimethylethyl)-4-hydroxyanisole|3-BHA|3-tert-Butyl-4-hydroxyanisole|3-tert-butyl-p-hydroxyanisole|4-hydroxy-3-tert-butylanisole|4-methoxy-2-tert-butylphenol|4-methoxy-6-tert-butylphenol|BHA|BRN 1867499|Butylated hydroxyanisole I|EINECS 204-442-7|o-tert-butyl-p-methoxyphenol|p-methoxy-o-tert-butylphenol|Phenol, 2- (1, 1- dimethylethyl) - 4- methoxy-|Phenol, 2-tert-butyl-4-methoxy-|UNII-62RAC24292|1341-82-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040788
ERPathway2016 ERPathway2016_369 2-tert-Butyl-4-methoxyphenol 121-00-6 DTXSID7040788 ER Pathway Model, Agonist Model Score 0.0139 Unitless COC1=CC=C(O)C(=C1)C(C)(C)C 2-tert-Butyl-4-methoxyphenol 121-00-6|2-tert-Butyl-4-methoxyphenol|1,1 -Dimethylethyl-4-methoxyphenol|2-(1,1-Dimethylethyl)-4-methoxy-phenol|2-(1,1-dimethylethyl)-4-methoxyphenol|2-Butyl-4-hydroxyanisole|3-(1,1-dimethylethyl)-4-hydroxyanisole|3-BHA|3-tert-Butyl-4-hydroxyanisole|3-tert-butyl-p-hydroxyanisole|4-hydroxy-3-tert-butylanisole|4-methoxy-2-tert-butylphenol|4-methoxy-6-tert-butylphenol|BHA|BRN 1867499|Butylated hydroxyanisole I|EINECS 204-442-7|o-tert-butyl-p-methoxyphenol|p-methoxy-o-tert-butylphenol|Phenol, 2- (1, 1- dimethylethyl) - 4- methoxy-|Phenol, 2-tert-butyl-4-methoxy-|UNII-62RAC24292|1341-82-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040788
ERPathway2016 ERPathway2016_369 2-tert-Butyl-4-methoxyphenol 121-00-6 DTXSID7040788 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(O)C(=C1)C(C)(C)C 2-tert-Butyl-4-methoxyphenol 121-00-6|2-tert-Butyl-4-methoxyphenol|1,1 -Dimethylethyl-4-methoxyphenol|2-(1,1-Dimethylethyl)-4-methoxy-phenol|2-(1,1-dimethylethyl)-4-methoxyphenol|2-Butyl-4-hydroxyanisole|3-(1,1-dimethylethyl)-4-hydroxyanisole|3-BHA|3-tert-Butyl-4-hydroxyanisole|3-tert-butyl-p-hydroxyanisole|4-hydroxy-3-tert-butylanisole|4-methoxy-2-tert-butylphenol|4-methoxy-6-tert-butylphenol|BHA|BRN 1867499|Butylated hydroxyanisole I|EINECS 204-442-7|o-tert-butyl-p-methoxyphenol|p-methoxy-o-tert-butylphenol|Phenol, 2- (1, 1- dimethylethyl) - 4- methoxy-|Phenol, 2-tert-butyl-4-methoxy-|UNII-62RAC24292|1341-82-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040788
ERPathway2016 ERPathway2016_369 2-tert-Butyl-4-methoxyphenol 121-00-6 DTXSID7040788 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(O)C(=C1)C(C)(C)C 2-tert-Butyl-4-methoxyphenol 121-00-6|2-tert-Butyl-4-methoxyphenol|1,1 -Dimethylethyl-4-methoxyphenol|2-(1,1-Dimethylethyl)-4-methoxy-phenol|2-(1,1-dimethylethyl)-4-methoxyphenol|2-Butyl-4-hydroxyanisole|3-(1,1-dimethylethyl)-4-hydroxyanisole|3-BHA|3-tert-Butyl-4-hydroxyanisole|3-tert-butyl-p-hydroxyanisole|4-hydroxy-3-tert-butylanisole|4-methoxy-2-tert-butylphenol|4-methoxy-6-tert-butylphenol|BHA|BRN 1867499|Butylated hydroxyanisole I|EINECS 204-442-7|o-tert-butyl-p-methoxyphenol|p-methoxy-o-tert-butylphenol|Phenol, 2- (1, 1- dimethylethyl) - 4- methoxy-|Phenol, 2-tert-butyl-4-methoxy-|UNII-62RAC24292|1341-82-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040788
ERPathway2016 ERPathway2016_369 2-tert-Butyl-4-methoxyphenol 121-00-6 DTXSID7040788 ER Pathway Model, Antagonist Call Active Unitless COC1=CC=C(O)C(=C1)C(C)(C)C 2-tert-Butyl-4-methoxyphenol 121-00-6|2-tert-Butyl-4-methoxyphenol|1,1 -Dimethylethyl-4-methoxyphenol|2-(1,1-Dimethylethyl)-4-methoxy-phenol|2-(1,1-dimethylethyl)-4-methoxyphenol|2-Butyl-4-hydroxyanisole|3-(1,1-dimethylethyl)-4-hydroxyanisole|3-BHA|3-tert-Butyl-4-hydroxyanisole|3-tert-butyl-p-hydroxyanisole|4-hydroxy-3-tert-butylanisole|4-methoxy-2-tert-butylphenol|4-methoxy-6-tert-butylphenol|BHA|BRN 1867499|Butylated hydroxyanisole I|EINECS 204-442-7|o-tert-butyl-p-methoxyphenol|p-methoxy-o-tert-butylphenol|Phenol, 2- (1, 1- dimethylethyl) - 4- methoxy-|Phenol, 2-tert-butyl-4-methoxy-|UNII-62RAC24292|1341-82-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040788
ARPathway2016 ARPathway2016_1680 2-Tert-Butyl-5-methylphenol 88-60-8 DTXSID2026529 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(O)=C(C=C1)C(C)(C)C 2-Tert-Butyl-5-methylphenol 88-60-8|2-Tert-Butyl-5-methylphenol|2-(1,1-Dimethylethyl)-5-methylphenol|3-Methyl-6-tert-butylphenol|4-06-00-03400|5-Methyl-2-tert-butylphenol|6-tert-Butyl-3-methylphenol|6-tert-Butyl-m-cresol|Benzene, 1-tert-butyl-2-hydroxy-4-methyl-|BRN 1908225|EINECS 201-842-3|m-Cresol, 6-tert-butyl-|NSC 48467|Phenol, 2-(1,1-dimethylethyl)-5-methyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026529
ARPathway2016 ARPathway2016_1680 2-Tert-Butyl-5-methylphenol 88-60-8 DTXSID2026529 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(O)=C(C=C1)C(C)(C)C 2-Tert-Butyl-5-methylphenol 88-60-8|2-Tert-Butyl-5-methylphenol|2-(1,1-Dimethylethyl)-5-methylphenol|3-Methyl-6-tert-butylphenol|4-06-00-03400|5-Methyl-2-tert-butylphenol|6-tert-Butyl-3-methylphenol|6-tert-Butyl-m-cresol|Benzene, 1-tert-butyl-2-hydroxy-4-methyl-|BRN 1908225|EINECS 201-842-3|m-Cresol, 6-tert-butyl-|NSC 48467|Phenol, 2-(1,1-dimethylethyl)-5-methyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026529
ARPathway2016 ARPathway2016_1680 2-Tert-Butyl-5-methylphenol 88-60-8 DTXSID2026529 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(O)=C(C=C1)C(C)(C)C 2-Tert-Butyl-5-methylphenol 88-60-8|2-Tert-Butyl-5-methylphenol|2-(1,1-Dimethylethyl)-5-methylphenol|3-Methyl-6-tert-butylphenol|4-06-00-03400|5-Methyl-2-tert-butylphenol|6-tert-Butyl-3-methylphenol|6-tert-Butyl-m-cresol|Benzene, 1-tert-butyl-2-hydroxy-4-methyl-|BRN 1908225|EINECS 201-842-3|m-Cresol, 6-tert-butyl-|NSC 48467|Phenol, 2-(1,1-dimethylethyl)-5-methyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026529
ARPathway2016 ARPathway2016_1680 2-Tert-Butyl-5-methylphenol 88-60-8 DTXSID2026529 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(O)=C(C=C1)C(C)(C)C 2-Tert-Butyl-5-methylphenol 88-60-8|2-Tert-Butyl-5-methylphenol|2-(1,1-Dimethylethyl)-5-methylphenol|3-Methyl-6-tert-butylphenol|4-06-00-03400|5-Methyl-2-tert-butylphenol|6-tert-Butyl-3-methylphenol|6-tert-Butyl-m-cresol|Benzene, 1-tert-butyl-2-hydroxy-4-methyl-|BRN 1908225|EINECS 201-842-3|m-Cresol, 6-tert-butyl-|NSC 48467|Phenol, 2-(1,1-dimethylethyl)-5-methyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026529
ERPathway2016 ERPathway2016_291 2-Tert-Butyl-5-methylphenol 88-60-8 DTXSID2026529 ER Pathway Model, Antagonist AC50 11.0409455686584 uM CC1=CC(O)=C(C=C1)C(C)(C)C 2-Tert-Butyl-5-methylphenol 88-60-8|2-Tert-Butyl-5-methylphenol|2-(1,1-Dimethylethyl)-5-methylphenol|3-Methyl-6-tert-butylphenol|4-06-00-03400|5-Methyl-2-tert-butylphenol|6-tert-Butyl-3-methylphenol|6-tert-Butyl-m-cresol|Benzene, 1-tert-butyl-2-hydroxy-4-methyl-|BRN 1908225|EINECS 201-842-3|m-Cresol, 6-tert-butyl-|NSC 48467|Phenol, 2-(1,1-dimethylethyl)-5-methyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026529
ERPathway2016 ERPathway2016_291 2-Tert-Butyl-5-methylphenol 88-60-8 DTXSID2026529 ER Pathway Model, Antagonist ACC 10.0879079722497 uM CC1=CC(O)=C(C=C1)C(C)(C)C 2-Tert-Butyl-5-methylphenol 88-60-8|2-Tert-Butyl-5-methylphenol|2-(1,1-Dimethylethyl)-5-methylphenol|3-Methyl-6-tert-butylphenol|4-06-00-03400|5-Methyl-2-tert-butylphenol|6-tert-Butyl-3-methylphenol|6-tert-Butyl-m-cresol|Benzene, 1-tert-butyl-2-hydroxy-4-methyl-|BRN 1908225|EINECS 201-842-3|m-Cresol, 6-tert-butyl-|NSC 48467|Phenol, 2-(1,1-dimethylethyl)-5-methyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026529
ERPathway2016 ERPathway2016_291 2-Tert-Butyl-5-methylphenol 88-60-8 DTXSID2026529 ER Pathway Model, Agonist Model Score 0.0402 Unitless CC1=CC(O)=C(C=C1)C(C)(C)C 2-Tert-Butyl-5-methylphenol 88-60-8|2-Tert-Butyl-5-methylphenol|2-(1,1-Dimethylethyl)-5-methylphenol|3-Methyl-6-tert-butylphenol|4-06-00-03400|5-Methyl-2-tert-butylphenol|6-tert-Butyl-3-methylphenol|6-tert-Butyl-m-cresol|Benzene, 1-tert-butyl-2-hydroxy-4-methyl-|BRN 1908225|EINECS 201-842-3|m-Cresol, 6-tert-butyl-|NSC 48467|Phenol, 2-(1,1-dimethylethyl)-5-methyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026529
ERPathway2016 ERPathway2016_291 2-Tert-Butyl-5-methylphenol 88-60-8 DTXSID2026529 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(O)=C(C=C1)C(C)(C)C 2-Tert-Butyl-5-methylphenol 88-60-8|2-Tert-Butyl-5-methylphenol|2-(1,1-Dimethylethyl)-5-methylphenol|3-Methyl-6-tert-butylphenol|4-06-00-03400|5-Methyl-2-tert-butylphenol|6-tert-Butyl-3-methylphenol|6-tert-Butyl-m-cresol|Benzene, 1-tert-butyl-2-hydroxy-4-methyl-|BRN 1908225|EINECS 201-842-3|m-Cresol, 6-tert-butyl-|NSC 48467|Phenol, 2-(1,1-dimethylethyl)-5-methyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026529
ERPathway2016 ERPathway2016_291 2-Tert-Butyl-5-methylphenol 88-60-8 DTXSID2026529 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(O)=C(C=C1)C(C)(C)C 2-Tert-Butyl-5-methylphenol 88-60-8|2-Tert-Butyl-5-methylphenol|2-(1,1-Dimethylethyl)-5-methylphenol|3-Methyl-6-tert-butylphenol|4-06-00-03400|5-Methyl-2-tert-butylphenol|6-tert-Butyl-3-methylphenol|6-tert-Butyl-m-cresol|Benzene, 1-tert-butyl-2-hydroxy-4-methyl-|BRN 1908225|EINECS 201-842-3|m-Cresol, 6-tert-butyl-|NSC 48467|Phenol, 2-(1,1-dimethylethyl)-5-methyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026529
ERPathway2016 ERPathway2016_291 2-Tert-Butyl-5-methylphenol 88-60-8 DTXSID2026529 ER Pathway Model, Antagonist Call Active Unitless CC1=CC(O)=C(C=C1)C(C)(C)C 2-Tert-Butyl-5-methylphenol 88-60-8|2-Tert-Butyl-5-methylphenol|2-(1,1-Dimethylethyl)-5-methylphenol|3-Methyl-6-tert-butylphenol|4-06-00-03400|5-Methyl-2-tert-butylphenol|6-tert-Butyl-3-methylphenol|6-tert-Butyl-m-cresol|Benzene, 1-tert-butyl-2-hydroxy-4-methyl-|BRN 1908225|EINECS 201-842-3|m-Cresol, 6-tert-butyl-|NSC 48467|Phenol, 2-(1,1-dimethylethyl)-5-methyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026529
ARPathway2016 ARPathway2016_1679 2-tert-Butylcyclohexyl acetate 88-41-5 DTXSID3036105 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OC1CCCCC1C(C)(C)C 2-tert-Butylcyclohexyl acetate 88-41-5|2-tert-Butylcyclohexyl acetate|1-Acetoxy-2-tert-butylcyclohexane|2-(1,1-Dimethylethyl)cyclohexanol acetate|2-t-Butylcyclohexyl acetate|2-tert-Butylcyclohexanol acetate|Cyclohexanol, 2-(1,1-dimethylethyl)-, 1-acetate|Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate|EINECS 201-828-7|o-t-Butylcyclohexyl acetate|UNII-364FV60913|Verdox https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036105
ARPathway2016 ARPathway2016_1679 2-tert-Butylcyclohexyl acetate 88-41-5 DTXSID3036105 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)OC1CCCCC1C(C)(C)C 2-tert-Butylcyclohexyl acetate 88-41-5|2-tert-Butylcyclohexyl acetate|1-Acetoxy-2-tert-butylcyclohexane|2-(1,1-Dimethylethyl)cyclohexanol acetate|2-t-Butylcyclohexyl acetate|2-tert-Butylcyclohexanol acetate|Cyclohexanol, 2-(1,1-dimethylethyl)-, 1-acetate|Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate|EINECS 201-828-7|o-t-Butylcyclohexyl acetate|UNII-364FV60913|Verdox https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036105
ARPathway2016 ARPathway2016_1679 2-tert-Butylcyclohexyl acetate 88-41-5 DTXSID3036105 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)OC1CCCCC1C(C)(C)C 2-tert-Butylcyclohexyl acetate 88-41-5|2-tert-Butylcyclohexyl acetate|1-Acetoxy-2-tert-butylcyclohexane|2-(1,1-Dimethylethyl)cyclohexanol acetate|2-t-Butylcyclohexyl acetate|2-tert-Butylcyclohexanol acetate|Cyclohexanol, 2-(1,1-dimethylethyl)-, 1-acetate|Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate|EINECS 201-828-7|o-t-Butylcyclohexyl acetate|UNII-364FV60913|Verdox https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036105
ARPathway2016 ARPathway2016_1679 2-tert-Butylcyclohexyl acetate 88-41-5 DTXSID3036105 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)OC1CCCCC1C(C)(C)C 2-tert-Butylcyclohexyl acetate 88-41-5|2-tert-Butylcyclohexyl acetate|1-Acetoxy-2-tert-butylcyclohexane|2-(1,1-Dimethylethyl)cyclohexanol acetate|2-t-Butylcyclohexyl acetate|2-tert-Butylcyclohexanol acetate|Cyclohexanol, 2-(1,1-dimethylethyl)-, 1-acetate|Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate|EINECS 201-828-7|o-t-Butylcyclohexyl acetate|UNII-364FV60913|Verdox https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036105
ERPathway2016 ERPathway2016_1723 2-tert-Butylcyclohexyl acetate 88-41-5 DTXSID3036105 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)OC1CCCCC1C(C)(C)C 2-tert-Butylcyclohexyl acetate 88-41-5|2-tert-Butylcyclohexyl acetate|1-Acetoxy-2-tert-butylcyclohexane|2-(1,1-Dimethylethyl)cyclohexanol acetate|2-t-Butylcyclohexyl acetate|2-tert-Butylcyclohexanol acetate|Cyclohexanol, 2-(1,1-dimethylethyl)-, 1-acetate|Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate|EINECS 201-828-7|o-t-Butylcyclohexyl acetate|UNII-364FV60913|Verdox https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036105
ERPathway2016 ERPathway2016_1723 2-tert-Butylcyclohexyl acetate 88-41-5 DTXSID3036105 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OC1CCCCC1C(C)(C)C 2-tert-Butylcyclohexyl acetate 88-41-5|2-tert-Butylcyclohexyl acetate|1-Acetoxy-2-tert-butylcyclohexane|2-(1,1-Dimethylethyl)cyclohexanol acetate|2-t-Butylcyclohexyl acetate|2-tert-Butylcyclohexanol acetate|Cyclohexanol, 2-(1,1-dimethylethyl)-, 1-acetate|Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate|EINECS 201-828-7|o-t-Butylcyclohexyl acetate|UNII-364FV60913|Verdox https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036105
ERPathway2016 ERPathway2016_1723 2-tert-Butylcyclohexyl acetate 88-41-5 DTXSID3036105 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)OC1CCCCC1C(C)(C)C 2-tert-Butylcyclohexyl acetate 88-41-5|2-tert-Butylcyclohexyl acetate|1-Acetoxy-2-tert-butylcyclohexane|2-(1,1-Dimethylethyl)cyclohexanol acetate|2-t-Butylcyclohexyl acetate|2-tert-Butylcyclohexanol acetate|Cyclohexanol, 2-(1,1-dimethylethyl)-, 1-acetate|Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate|EINECS 201-828-7|o-t-Butylcyclohexyl acetate|UNII-364FV60913|Verdox https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036105
ERPathway2016 ERPathway2016_1723 2-tert-Butylcyclohexyl acetate 88-41-5 DTXSID3036105 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)OC1CCCCC1C(C)(C)C 2-tert-Butylcyclohexyl acetate 88-41-5|2-tert-Butylcyclohexyl acetate|1-Acetoxy-2-tert-butylcyclohexane|2-(1,1-Dimethylethyl)cyclohexanol acetate|2-t-Butylcyclohexyl acetate|2-tert-Butylcyclohexanol acetate|Cyclohexanol, 2-(1,1-dimethylethyl)-, 1-acetate|Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate|EINECS 201-828-7|o-t-Butylcyclohexyl acetate|UNII-364FV60913|Verdox https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036105
ARPathway2016 ARPathway2016_1677 2-tert-Butylphenol 88-18-6 DTXSID2026525 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=C(O)C=CC=C1 2-tert-Butylphenol 88-18-6|2-tert-Butylphenol|2-(1,1-Dimethylethyl)phenol|2-t-Butylphenol|2-terc-butilfenol|2-tert-Butyl-1-hydroxybenzene|4-06-00-03292|Benzene, 1-tert-butyl-2-hydroxy-|BRN 1907120|EINECS No.: 201-807-2|HSDB 5255|o-t-Butylphenol|O-TERT-BUTYLPHENOL|Phenol, 2-(1,1-dimethylethyl)-|Phenol, o-tert-butyl-|UNII-NL2FPV3N0Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026525
ARPathway2016 ARPathway2016_1677 2-tert-Butylphenol 88-18-6 DTXSID2026525 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=C(O)C=CC=C1 2-tert-Butylphenol 88-18-6|2-tert-Butylphenol|2-(1,1-Dimethylethyl)phenol|2-t-Butylphenol|2-terc-butilfenol|2-tert-Butyl-1-hydroxybenzene|4-06-00-03292|Benzene, 1-tert-butyl-2-hydroxy-|BRN 1907120|EINECS No.: 201-807-2|HSDB 5255|o-t-Butylphenol|O-TERT-BUTYLPHENOL|Phenol, 2-(1,1-dimethylethyl)-|Phenol, o-tert-butyl-|UNII-NL2FPV3N0Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026525
ARPathway2016 ARPathway2016_1677 2-tert-Butylphenol 88-18-6 DTXSID2026525 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=C(O)C=CC=C1 2-tert-Butylphenol 88-18-6|2-tert-Butylphenol|2-(1,1-Dimethylethyl)phenol|2-t-Butylphenol|2-terc-butilfenol|2-tert-Butyl-1-hydroxybenzene|4-06-00-03292|Benzene, 1-tert-butyl-2-hydroxy-|BRN 1907120|EINECS No.: 201-807-2|HSDB 5255|o-t-Butylphenol|O-TERT-BUTYLPHENOL|Phenol, 2-(1,1-dimethylethyl)-|Phenol, o-tert-butyl-|UNII-NL2FPV3N0Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026525
ARPathway2016 ARPathway2016_1677 2-tert-Butylphenol 88-18-6 DTXSID2026525 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=C(O)C=CC=C1 2-tert-Butylphenol 88-18-6|2-tert-Butylphenol|2-(1,1-Dimethylethyl)phenol|2-t-Butylphenol|2-terc-butilfenol|2-tert-Butyl-1-hydroxybenzene|4-06-00-03292|Benzene, 1-tert-butyl-2-hydroxy-|BRN 1907120|EINECS No.: 201-807-2|HSDB 5255|o-t-Butylphenol|O-TERT-BUTYLPHENOL|Phenol, 2-(1,1-dimethylethyl)-|Phenol, o-tert-butyl-|UNII-NL2FPV3N0Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026525
ERPathway2016 ERPathway2016_465 2-tert-Butylphenol 88-18-6 DTXSID2026525 A12 ER Pathway Model, Antagonist AC50 35.323929724048 uM CC(C)(C)C1=C(O)C=CC=C1 2-tert-Butylphenol 88-18-6|2-tert-Butylphenol|2-(1,1-Dimethylethyl)phenol|2-t-Butylphenol|2-terc-butilfenol|2-tert-Butyl-1-hydroxybenzene|4-06-00-03292|Benzene, 1-tert-butyl-2-hydroxy-|BRN 1907120|EINECS No.: 201-807-2|HSDB 5255|o-t-Butylphenol|O-TERT-BUTYLPHENOL|Phenol, 2-(1,1-dimethylethyl)-|Phenol, o-tert-butyl-|UNII-NL2FPV3N0Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026525
ERPathway2016 ERPathway2016_465 2-tert-Butylphenol 88-18-6 DTXSID2026525 A12 ER Pathway Model, Antagonist ACC 27.1911808559386 uM CC(C)(C)C1=C(O)C=CC=C1 2-tert-Butylphenol 88-18-6|2-tert-Butylphenol|2-(1,1-Dimethylethyl)phenol|2-t-Butylphenol|2-terc-butilfenol|2-tert-Butyl-1-hydroxybenzene|4-06-00-03292|Benzene, 1-tert-butyl-2-hydroxy-|BRN 1907120|EINECS No.: 201-807-2|HSDB 5255|o-t-Butylphenol|O-TERT-BUTYLPHENOL|Phenol, 2-(1,1-dimethylethyl)-|Phenol, o-tert-butyl-|UNII-NL2FPV3N0Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026525
ERPathway2016 ERPathway2016_465 2-tert-Butylphenol 88-18-6 DTXSID2026525 A12 ER Pathway Model, Agonist Model Score 0.00325 Unitless CC(C)(C)C1=C(O)C=CC=C1 2-tert-Butylphenol 88-18-6|2-tert-Butylphenol|2-(1,1-Dimethylethyl)phenol|2-t-Butylphenol|2-terc-butilfenol|2-tert-Butyl-1-hydroxybenzene|4-06-00-03292|Benzene, 1-tert-butyl-2-hydroxy-|BRN 1907120|EINECS No.: 201-807-2|HSDB 5255|o-t-Butylphenol|O-TERT-BUTYLPHENOL|Phenol, 2-(1,1-dimethylethyl)-|Phenol, o-tert-butyl-|UNII-NL2FPV3N0Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026525
ERPathway2016 ERPathway2016_465 2-tert-Butylphenol 88-18-6 DTXSID2026525 A12 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=C(O)C=CC=C1 2-tert-Butylphenol 88-18-6|2-tert-Butylphenol|2-(1,1-Dimethylethyl)phenol|2-t-Butylphenol|2-terc-butilfenol|2-tert-Butyl-1-hydroxybenzene|4-06-00-03292|Benzene, 1-tert-butyl-2-hydroxy-|BRN 1907120|EINECS No.: 201-807-2|HSDB 5255|o-t-Butylphenol|O-TERT-BUTYLPHENOL|Phenol, 2-(1,1-dimethylethyl)-|Phenol, o-tert-butyl-|UNII-NL2FPV3N0Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026525
ERPathway2016 ERPathway2016_465 2-tert-Butylphenol 88-18-6 DTXSID2026525 A12 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=C(O)C=CC=C1 2-tert-Butylphenol 88-18-6|2-tert-Butylphenol|2-(1,1-Dimethylethyl)phenol|2-t-Butylphenol|2-terc-butilfenol|2-tert-Butyl-1-hydroxybenzene|4-06-00-03292|Benzene, 1-tert-butyl-2-hydroxy-|BRN 1907120|EINECS No.: 201-807-2|HSDB 5255|o-t-Butylphenol|O-TERT-BUTYLPHENOL|Phenol, 2-(1,1-dimethylethyl)-|Phenol, o-tert-butyl-|UNII-NL2FPV3N0Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026525
ERPathway2016 ERPathway2016_465 2-tert-Butylphenol 88-18-6 DTXSID2026525 A12 ER Pathway Model, Antagonist Call Active Unitless CC(C)(C)C1=C(O)C=CC=C1 2-tert-Butylphenol 88-18-6|2-tert-Butylphenol|2-(1,1-Dimethylethyl)phenol|2-t-Butylphenol|2-terc-butilfenol|2-tert-Butyl-1-hydroxybenzene|4-06-00-03292|Benzene, 1-tert-butyl-2-hydroxy-|BRN 1907120|EINECS No.: 201-807-2|HSDB 5255|o-t-Butylphenol|O-TERT-BUTYLPHENOL|Phenol, 2-(1,1-dimethylethyl)-|Phenol, o-tert-butyl-|UNII-NL2FPV3N0Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026525
ARPathway2016 ARPathway2016_596 2-Undecanone 112-12-9 DTXSID2021943 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCC(C)=O 2-Undecanone 112-12-9|2-Undecanone|2-Hendecanone|2-Oxoundecane|BRN 1749573|Caswell No. 573O|EINECS 203-937-5|Enodyl|EPA Pesticide Chemical Code 044102|FEMA 3093|FEMA No. 3093|Ketone, methyl nonyl|Luparone|Methyl n-nonyl ketone|Methyl nonyl ketone|Methyl-N-nonylketone|Methylnonylketone|MGK dog AMP MNK|MGK Dog and Cat Repellent|Nonyl methyl ketone|NSC 4028|rue ketone|Undecan-2-on|undecan-2-ona|Undecan-2-one|undecane-2-one|Undecanone|Undecanone-(2)|UNII-YV5DSO8CY9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021943
ARPathway2016 ARPathway2016_596 2-Undecanone 112-12-9 DTXSID2021943 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCC(C)=O 2-Undecanone 112-12-9|2-Undecanone|2-Hendecanone|2-Oxoundecane|BRN 1749573|Caswell No. 573O|EINECS 203-937-5|Enodyl|EPA Pesticide Chemical Code 044102|FEMA 3093|FEMA No. 3093|Ketone, methyl nonyl|Luparone|Methyl n-nonyl ketone|Methyl nonyl ketone|Methyl-N-nonylketone|Methylnonylketone|MGK dog AMP MNK|MGK Dog and Cat Repellent|Nonyl methyl ketone|NSC 4028|rue ketone|Undecan-2-on|undecan-2-ona|Undecan-2-one|undecane-2-one|Undecanone|Undecanone-(2)|UNII-YV5DSO8CY9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021943
ARPathway2016 ARPathway2016_596 2-Undecanone 112-12-9 DTXSID2021943 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCC(C)=O 2-Undecanone 112-12-9|2-Undecanone|2-Hendecanone|2-Oxoundecane|BRN 1749573|Caswell No. 573O|EINECS 203-937-5|Enodyl|EPA Pesticide Chemical Code 044102|FEMA 3093|FEMA No. 3093|Ketone, methyl nonyl|Luparone|Methyl n-nonyl ketone|Methyl nonyl ketone|Methyl-N-nonylketone|Methylnonylketone|MGK dog AMP MNK|MGK Dog and Cat Repellent|Nonyl methyl ketone|NSC 4028|rue ketone|Undecan-2-on|undecan-2-ona|Undecan-2-one|undecane-2-one|Undecanone|Undecanone-(2)|UNII-YV5DSO8CY9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021943
ARPathway2016 ARPathway2016_596 2-Undecanone 112-12-9 DTXSID2021943 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCC(C)=O 2-Undecanone 112-12-9|2-Undecanone|2-Hendecanone|2-Oxoundecane|BRN 1749573|Caswell No. 573O|EINECS 203-937-5|Enodyl|EPA Pesticide Chemical Code 044102|FEMA 3093|FEMA No. 3093|Ketone, methyl nonyl|Luparone|Methyl n-nonyl ketone|Methyl nonyl ketone|Methyl-N-nonylketone|Methylnonylketone|MGK dog AMP MNK|MGK Dog and Cat Repellent|Nonyl methyl ketone|NSC 4028|rue ketone|Undecan-2-on|undecan-2-ona|Undecan-2-one|undecane-2-one|Undecanone|Undecanone-(2)|UNII-YV5DSO8CY9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021943
ERPathway2016 ERPathway2016_482 2-Undecanone 112-12-9 DTXSID2021943 ER Pathway Model, Antagonist AC50 92.6542682245749 uM CCCCCCCCCC(C)=O 2-Undecanone 112-12-9|2-Undecanone|2-Hendecanone|2-Oxoundecane|BRN 1749573|Caswell No. 573O|EINECS 203-937-5|Enodyl|EPA Pesticide Chemical Code 044102|FEMA 3093|FEMA No. 3093|Ketone, methyl nonyl|Luparone|Methyl n-nonyl ketone|Methyl nonyl ketone|Methyl-N-nonylketone|Methylnonylketone|MGK dog AMP MNK|MGK Dog and Cat Repellent|Nonyl methyl ketone|NSC 4028|rue ketone|Undecan-2-on|undecan-2-ona|Undecan-2-one|undecane-2-one|Undecanone|Undecanone-(2)|UNII-YV5DSO8CY9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021943
ERPathway2016 ERPathway2016_482 2-Undecanone 112-12-9 DTXSID2021943 ER Pathway Model, Antagonist ACC 38.1919443420861 uM CCCCCCCCCC(C)=O 2-Undecanone 112-12-9|2-Undecanone|2-Hendecanone|2-Oxoundecane|BRN 1749573|Caswell No. 573O|EINECS 203-937-5|Enodyl|EPA Pesticide Chemical Code 044102|FEMA 3093|FEMA No. 3093|Ketone, methyl nonyl|Luparone|Methyl n-nonyl ketone|Methyl nonyl ketone|Methyl-N-nonylketone|Methylnonylketone|MGK dog AMP MNK|MGK Dog and Cat Repellent|Nonyl methyl ketone|NSC 4028|rue ketone|Undecan-2-on|undecan-2-ona|Undecan-2-one|undecane-2-one|Undecanone|Undecanone-(2)|UNII-YV5DSO8CY9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021943
ERPathway2016 ERPathway2016_482 2-Undecanone 112-12-9 DTXSID2021943 ER Pathway Model, Agonist Model Score 0.00139 Unitless CCCCCCCCCC(C)=O 2-Undecanone 112-12-9|2-Undecanone|2-Hendecanone|2-Oxoundecane|BRN 1749573|Caswell No. 573O|EINECS 203-937-5|Enodyl|EPA Pesticide Chemical Code 044102|FEMA 3093|FEMA No. 3093|Ketone, methyl nonyl|Luparone|Methyl n-nonyl ketone|Methyl nonyl ketone|Methyl-N-nonylketone|Methylnonylketone|MGK dog AMP MNK|MGK Dog and Cat Repellent|Nonyl methyl ketone|NSC 4028|rue ketone|Undecan-2-on|undecan-2-ona|Undecan-2-one|undecane-2-one|Undecanone|Undecanone-(2)|UNII-YV5DSO8CY9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021943
ERPathway2016 ERPathway2016_482 2-Undecanone 112-12-9 DTXSID2021943 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCC(C)=O 2-Undecanone 112-12-9|2-Undecanone|2-Hendecanone|2-Oxoundecane|BRN 1749573|Caswell No. 573O|EINECS 203-937-5|Enodyl|EPA Pesticide Chemical Code 044102|FEMA 3093|FEMA No. 3093|Ketone, methyl nonyl|Luparone|Methyl n-nonyl ketone|Methyl nonyl ketone|Methyl-N-nonylketone|Methylnonylketone|MGK dog AMP MNK|MGK Dog and Cat Repellent|Nonyl methyl ketone|NSC 4028|rue ketone|Undecan-2-on|undecan-2-ona|Undecan-2-one|undecane-2-one|Undecanone|Undecanone-(2)|UNII-YV5DSO8CY9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021943
ERPathway2016 ERPathway2016_482 2-Undecanone 112-12-9 DTXSID2021943 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCC(C)=O 2-Undecanone 112-12-9|2-Undecanone|2-Hendecanone|2-Oxoundecane|BRN 1749573|Caswell No. 573O|EINECS 203-937-5|Enodyl|EPA Pesticide Chemical Code 044102|FEMA 3093|FEMA No. 3093|Ketone, methyl nonyl|Luparone|Methyl n-nonyl ketone|Methyl nonyl ketone|Methyl-N-nonylketone|Methylnonylketone|MGK dog AMP MNK|MGK Dog and Cat Repellent|Nonyl methyl ketone|NSC 4028|rue ketone|Undecan-2-on|undecan-2-ona|Undecan-2-one|undecane-2-one|Undecanone|Undecanone-(2)|UNII-YV5DSO8CY9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021943
ERPathway2016 ERPathway2016_482 2-Undecanone 112-12-9 DTXSID2021943 ER Pathway Model, Antagonist Call Active Unitless CCCCCCCCCC(C)=O 2-Undecanone 112-12-9|2-Undecanone|2-Hendecanone|2-Oxoundecane|BRN 1749573|Caswell No. 573O|EINECS 203-937-5|Enodyl|EPA Pesticide Chemical Code 044102|FEMA 3093|FEMA No. 3093|Ketone, methyl nonyl|Luparone|Methyl n-nonyl ketone|Methyl nonyl ketone|Methyl-N-nonylketone|Methylnonylketone|MGK dog AMP MNK|MGK Dog and Cat Repellent|Nonyl methyl ketone|NSC 4028|rue ketone|Undecan-2-on|undecan-2-ona|Undecan-2-one|undecane-2-one|Undecanone|Undecanone-(2)|UNII-YV5DSO8CY9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021943
ARPathway2016 ARPathway2016_1838 3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride 227626-75-7 DTXSID0047292 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.NCC1(CC2=NOC(=O)N2)CCCCC1 3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride 227626-75-7|3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride|1, 2, 4- Oxadiazol- 5(2H) - one, 3- [[1- (aminomethyl) cyclohexyl] methyl] - , hydrochloride (1:1)|1,2,4-Oxadiazol-5(2H)-one, 3-[[1-(aminomethyl)cyclohexyl]methyl]-, monohydrochloride|1,2,4-Oxadiazol-5(4H)-one, 3-[[1-(aminomethyl)cyclohexyl]methyl]-, hydrochloride (1:1)|3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one hydrochloride (1:1)|3-[(1-Aminomethylcyclohexyl)methyl]-4H-[1,2,4]oxadiazol-5-one hydrochloride|3-{[1-(aminomethyl)cyclohexyl]methyl}-1,2,4-oxadiazol-5(4H)-one hydrochloride|3-{[2-(aminomethyl)cyclohexyl]methyl}-1,2,4-oxadiazol-5(4H)-one hydrochloride|PD 0200347 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047292
ARPathway2016 ARPathway2016_1838 3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride 227626-75-7 DTXSID0047292 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cl.NCC1(CC2=NOC(=O)N2)CCCCC1 3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride 227626-75-7|3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride|1, 2, 4- Oxadiazol- 5(2H) - one, 3- [[1- (aminomethyl) cyclohexyl] methyl] - , hydrochloride (1:1)|1,2,4-Oxadiazol-5(2H)-one, 3-[[1-(aminomethyl)cyclohexyl]methyl]-, monohydrochloride|1,2,4-Oxadiazol-5(4H)-one, 3-[[1-(aminomethyl)cyclohexyl]methyl]-, hydrochloride (1:1)|3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one hydrochloride (1:1)|3-[(1-Aminomethylcyclohexyl)methyl]-4H-[1,2,4]oxadiazol-5-one hydrochloride|3-{[1-(aminomethyl)cyclohexyl]methyl}-1,2,4-oxadiazol-5(4H)-one hydrochloride|3-{[2-(aminomethyl)cyclohexyl]methyl}-1,2,4-oxadiazol-5(4H)-one hydrochloride|PD 0200347 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047292
ARPathway2016 ARPathway2016_1838 3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride 227626-75-7 DTXSID0047292 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cl.NCC1(CC2=NOC(=O)N2)CCCCC1 3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride 227626-75-7|3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride|1, 2, 4- Oxadiazol- 5(2H) - one, 3- [[1- (aminomethyl) cyclohexyl] methyl] - , hydrochloride (1:1)|1,2,4-Oxadiazol-5(2H)-one, 3-[[1-(aminomethyl)cyclohexyl]methyl]-, monohydrochloride|1,2,4-Oxadiazol-5(4H)-one, 3-[[1-(aminomethyl)cyclohexyl]methyl]-, hydrochloride (1:1)|3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one hydrochloride (1:1)|3-[(1-Aminomethylcyclohexyl)methyl]-4H-[1,2,4]oxadiazol-5-one hydrochloride|3-{[1-(aminomethyl)cyclohexyl]methyl}-1,2,4-oxadiazol-5(4H)-one hydrochloride|3-{[2-(aminomethyl)cyclohexyl]methyl}-1,2,4-oxadiazol-5(4H)-one hydrochloride|PD 0200347 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047292
ARPathway2016 ARPathway2016_1838 3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride 227626-75-7 DTXSID0047292 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cl.NCC1(CC2=NOC(=O)N2)CCCCC1 3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride 227626-75-7|3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride|1, 2, 4- Oxadiazol- 5(2H) - one, 3- [[1- (aminomethyl) cyclohexyl] methyl] - , hydrochloride (1:1)|1,2,4-Oxadiazol-5(2H)-one, 3-[[1-(aminomethyl)cyclohexyl]methyl]-, monohydrochloride|1,2,4-Oxadiazol-5(4H)-one, 3-[[1-(aminomethyl)cyclohexyl]methyl]-, hydrochloride (1:1)|3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one hydrochloride (1:1)|3-[(1-Aminomethylcyclohexyl)methyl]-4H-[1,2,4]oxadiazol-5-one hydrochloride|3-{[1-(aminomethyl)cyclohexyl]methyl}-1,2,4-oxadiazol-5(4H)-one hydrochloride|3-{[2-(aminomethyl)cyclohexyl]methyl}-1,2,4-oxadiazol-5(4H)-one hydrochloride|PD 0200347 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047292
ERPathway2016 ERPathway2016_1808 3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride 227626-75-7 DTXSID0047292 ER Pathway Model, Agonist Model Score 0 Unitless Cl.NCC1(CC2=NOC(=O)N2)CCCCC1 3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride 227626-75-7|3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride|1, 2, 4- Oxadiazol- 5(2H) - one, 3- [[1- (aminomethyl) cyclohexyl] methyl] - , hydrochloride (1:1)|1,2,4-Oxadiazol-5(2H)-one, 3-[[1-(aminomethyl)cyclohexyl]methyl]-, monohydrochloride|1,2,4-Oxadiazol-5(4H)-one, 3-[[1-(aminomethyl)cyclohexyl]methyl]-, hydrochloride (1:1)|3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one hydrochloride (1:1)|3-[(1-Aminomethylcyclohexyl)methyl]-4H-[1,2,4]oxadiazol-5-one hydrochloride|3-{[1-(aminomethyl)cyclohexyl]methyl}-1,2,4-oxadiazol-5(4H)-one hydrochloride|3-{[2-(aminomethyl)cyclohexyl]methyl}-1,2,4-oxadiazol-5(4H)-one hydrochloride|PD 0200347 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047292
ERPathway2016 ERPathway2016_1808 3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride 227626-75-7 DTXSID0047292 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.NCC1(CC2=NOC(=O)N2)CCCCC1 3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride 227626-75-7|3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride|1, 2, 4- Oxadiazol- 5(2H) - one, 3- [[1- (aminomethyl) cyclohexyl] methyl] - , hydrochloride (1:1)|1,2,4-Oxadiazol-5(2H)-one, 3-[[1-(aminomethyl)cyclohexyl]methyl]-, monohydrochloride|1,2,4-Oxadiazol-5(4H)-one, 3-[[1-(aminomethyl)cyclohexyl]methyl]-, hydrochloride (1:1)|3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one hydrochloride (1:1)|3-[(1-Aminomethylcyclohexyl)methyl]-4H-[1,2,4]oxadiazol-5-one hydrochloride|3-{[1-(aminomethyl)cyclohexyl]methyl}-1,2,4-oxadiazol-5(4H)-one hydrochloride|3-{[2-(aminomethyl)cyclohexyl]methyl}-1,2,4-oxadiazol-5(4H)-one hydrochloride|PD 0200347 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047292
ERPathway2016 ERPathway2016_1808 3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride 227626-75-7 DTXSID0047292 ER Pathway Model, Agonist Call Inactive Unitless Cl.NCC1(CC2=NOC(=O)N2)CCCCC1 3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride 227626-75-7|3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride|1, 2, 4- Oxadiazol- 5(2H) - one, 3- [[1- (aminomethyl) cyclohexyl] methyl] - , hydrochloride (1:1)|1,2,4-Oxadiazol-5(2H)-one, 3-[[1-(aminomethyl)cyclohexyl]methyl]-, monohydrochloride|1,2,4-Oxadiazol-5(4H)-one, 3-[[1-(aminomethyl)cyclohexyl]methyl]-, hydrochloride (1:1)|3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one hydrochloride (1:1)|3-[(1-Aminomethylcyclohexyl)methyl]-4H-[1,2,4]oxadiazol-5-one hydrochloride|3-{[1-(aminomethyl)cyclohexyl]methyl}-1,2,4-oxadiazol-5(4H)-one hydrochloride|3-{[2-(aminomethyl)cyclohexyl]methyl}-1,2,4-oxadiazol-5(4H)-one hydrochloride|PD 0200347 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047292
ERPathway2016 ERPathway2016_1808 3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride 227626-75-7 DTXSID0047292 ER Pathway Model, Antagonist Call Inactive Unitless Cl.NCC1(CC2=NOC(=O)N2)CCCCC1 3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride 227626-75-7|3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one dihydrochloride|1, 2, 4- Oxadiazol- 5(2H) - one, 3- [[1- (aminomethyl) cyclohexyl] methyl] - , hydrochloride (1:1)|1,2,4-Oxadiazol-5(2H)-one, 3-[[1-(aminomethyl)cyclohexyl]methyl]-, monohydrochloride|1,2,4-Oxadiazol-5(4H)-one, 3-[[1-(aminomethyl)cyclohexyl]methyl]-, hydrochloride (1:1)|3-((1-(Aminomethyl)cyclohexyl)methyl)-1,2,4-oxadiazol-5(2H)-one hydrochloride (1:1)|3-[(1-Aminomethylcyclohexyl)methyl]-4H-[1,2,4]oxadiazol-5-one hydrochloride|3-{[1-(aminomethyl)cyclohexyl]methyl}-1,2,4-oxadiazol-5(4H)-one hydrochloride|3-{[2-(aminomethyl)cyclohexyl]methyl}-1,2,4-oxadiazol-5(4H)-one hydrochloride|PD 0200347 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047292
ARPathway2016 ARPathway2016_530 3-(Dimethylamino)propylamine 109-55-7 DTXSID5025102 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)CCCN 3-(Dimethylamino)propylamine 109-55-7|3-(Dimethylamino)propylamine|(3-Aminopropyl)dimethylamine|(3-Dimethylaminopropan-1-yl)amine|1-(Dimethylamino)-3-aminopropane|1-Amino-3-(dimethylamino)propane|1-Amino-3-dimethylaminopropane|1,3-Propanediamine, N,N-dimethyl-|1,3-Propanediamine, N1,N1-dimethyl-|3-(Dimethylamino)-1-aminopropane|3-(Dimethylamino)-1-propanamine|3-(Dimethylamino)-1-propylamine|3-(Dimethylamino)propanamine|3-Amino-1-(dimethylamino)propane|3-aminopropildimetilamina|3-Aminopropyldimethylamin|3-Aminopropyldimethylamine|3-DIMETHYLAMINO PROPYLAMINE|3-Dimethylaminopropylamine|3-N,N-Dimethylaminopropylamine|BRN 0605293|EINECS 203-680-9|gamma-(Dimethylamino)propylamine|N-Aminopropyl-N,N-dimethylamine|N-Dimethyltrimethylenediamine|N,N-Dimethyl-1,3-diaminopropane|N,N-DIMETHYL-1,3-PROPANDIAMIN|N,N-Dimethyl-1,3-propanediamine|N,N-Dimethyl-1,3-propylenediamine|N,N-Dimethyl-3-aminopropylamine|N,N-Dimethyl-N-(3-aminopropyl)amine|N,N-Dimethylpropylenediamine|N,N-Dimethyltrimethylenediamine|N',N'-Dimethylpropane-1,3-diamine|NSC 1067|PROPANE-1,3-DIAMINE, N,N-DIMETHYL-|Propylamine|1190921-64-2|68497-58-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025102 https://doi.org/10.22427/NTP-DATA-DTXSID5025102
ARPathway2016 ARPathway2016_530 3-(Dimethylamino)propylamine 109-55-7 DTXSID5025102 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)CCCN 3-(Dimethylamino)propylamine 109-55-7|3-(Dimethylamino)propylamine|(3-Aminopropyl)dimethylamine|(3-Dimethylaminopropan-1-yl)amine|1-(Dimethylamino)-3-aminopropane|1-Amino-3-(dimethylamino)propane|1-Amino-3-dimethylaminopropane|1,3-Propanediamine, N,N-dimethyl-|1,3-Propanediamine, N1,N1-dimethyl-|3-(Dimethylamino)-1-aminopropane|3-(Dimethylamino)-1-propanamine|3-(Dimethylamino)-1-propylamine|3-(Dimethylamino)propanamine|3-Amino-1-(dimethylamino)propane|3-aminopropildimetilamina|3-Aminopropyldimethylamin|3-Aminopropyldimethylamine|3-DIMETHYLAMINO PROPYLAMINE|3-Dimethylaminopropylamine|3-N,N-Dimethylaminopropylamine|BRN 0605293|EINECS 203-680-9|gamma-(Dimethylamino)propylamine|N-Aminopropyl-N,N-dimethylamine|N-Dimethyltrimethylenediamine|N,N-Dimethyl-1,3-diaminopropane|N,N-DIMETHYL-1,3-PROPANDIAMIN|N,N-Dimethyl-1,3-propanediamine|N,N-Dimethyl-1,3-propylenediamine|N,N-Dimethyl-3-aminopropylamine|N,N-Dimethyl-N-(3-aminopropyl)amine|N,N-Dimethylpropylenediamine|N,N-Dimethyltrimethylenediamine|N',N'-Dimethylpropane-1,3-diamine|NSC 1067|PROPANE-1,3-DIAMINE, N,N-DIMETHYL-|Propylamine|1190921-64-2|68497-58-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025102 https://doi.org/10.22427/NTP-DATA-DTXSID5025102
ARPathway2016 ARPathway2016_530 3-(Dimethylamino)propylamine 109-55-7 DTXSID5025102 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN(C)CCCN 3-(Dimethylamino)propylamine 109-55-7|3-(Dimethylamino)propylamine|(3-Aminopropyl)dimethylamine|(3-Dimethylaminopropan-1-yl)amine|1-(Dimethylamino)-3-aminopropane|1-Amino-3-(dimethylamino)propane|1-Amino-3-dimethylaminopropane|1,3-Propanediamine, N,N-dimethyl-|1,3-Propanediamine, N1,N1-dimethyl-|3-(Dimethylamino)-1-aminopropane|3-(Dimethylamino)-1-propanamine|3-(Dimethylamino)-1-propylamine|3-(Dimethylamino)propanamine|3-Amino-1-(dimethylamino)propane|3-aminopropildimetilamina|3-Aminopropyldimethylamin|3-Aminopropyldimethylamine|3-DIMETHYLAMINO PROPYLAMINE|3-Dimethylaminopropylamine|3-N,N-Dimethylaminopropylamine|BRN 0605293|EINECS 203-680-9|gamma-(Dimethylamino)propylamine|N-Aminopropyl-N,N-dimethylamine|N-Dimethyltrimethylenediamine|N,N-Dimethyl-1,3-diaminopropane|N,N-DIMETHYL-1,3-PROPANDIAMIN|N,N-Dimethyl-1,3-propanediamine|N,N-Dimethyl-1,3-propylenediamine|N,N-Dimethyl-3-aminopropylamine|N,N-Dimethyl-N-(3-aminopropyl)amine|N,N-Dimethylpropylenediamine|N,N-Dimethyltrimethylenediamine|N',N'-Dimethylpropane-1,3-diamine|NSC 1067|PROPANE-1,3-DIAMINE, N,N-DIMETHYL-|Propylamine|1190921-64-2|68497-58-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025102 https://doi.org/10.22427/NTP-DATA-DTXSID5025102
ARPathway2016 ARPathway2016_530 3-(Dimethylamino)propylamine 109-55-7 DTXSID5025102 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)CCCN 3-(Dimethylamino)propylamine 109-55-7|3-(Dimethylamino)propylamine|(3-Aminopropyl)dimethylamine|(3-Dimethylaminopropan-1-yl)amine|1-(Dimethylamino)-3-aminopropane|1-Amino-3-(dimethylamino)propane|1-Amino-3-dimethylaminopropane|1,3-Propanediamine, N,N-dimethyl-|1,3-Propanediamine, N1,N1-dimethyl-|3-(Dimethylamino)-1-aminopropane|3-(Dimethylamino)-1-propanamine|3-(Dimethylamino)-1-propylamine|3-(Dimethylamino)propanamine|3-Amino-1-(dimethylamino)propane|3-aminopropildimetilamina|3-Aminopropyldimethylamin|3-Aminopropyldimethylamine|3-DIMETHYLAMINO PROPYLAMINE|3-Dimethylaminopropylamine|3-N,N-Dimethylaminopropylamine|BRN 0605293|EINECS 203-680-9|gamma-(Dimethylamino)propylamine|N-Aminopropyl-N,N-dimethylamine|N-Dimethyltrimethylenediamine|N,N-Dimethyl-1,3-diaminopropane|N,N-DIMETHYL-1,3-PROPANDIAMIN|N,N-Dimethyl-1,3-propanediamine|N,N-Dimethyl-1,3-propylenediamine|N,N-Dimethyl-3-aminopropylamine|N,N-Dimethyl-N-(3-aminopropyl)amine|N,N-Dimethylpropylenediamine|N,N-Dimethyltrimethylenediamine|N',N'-Dimethylpropane-1,3-diamine|NSC 1067|PROPANE-1,3-DIAMINE, N,N-DIMETHYL-|Propylamine|1190921-64-2|68497-58-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025102 https://doi.org/10.22427/NTP-DATA-DTXSID5025102
ERPathway2016 ERPathway2016_1125 3-(Dimethylamino)propylamine 109-55-7 DTXSID5025102 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)CCCN 3-(Dimethylamino)propylamine 109-55-7|3-(Dimethylamino)propylamine|(3-Aminopropyl)dimethylamine|(3-Dimethylaminopropan-1-yl)amine|1-(Dimethylamino)-3-aminopropane|1-Amino-3-(dimethylamino)propane|1-Amino-3-dimethylaminopropane|1,3-Propanediamine, N,N-dimethyl-|1,3-Propanediamine, N1,N1-dimethyl-|3-(Dimethylamino)-1-aminopropane|3-(Dimethylamino)-1-propanamine|3-(Dimethylamino)-1-propylamine|3-(Dimethylamino)propanamine|3-Amino-1-(dimethylamino)propane|3-aminopropildimetilamina|3-Aminopropyldimethylamin|3-Aminopropyldimethylamine|3-DIMETHYLAMINO PROPYLAMINE|3-Dimethylaminopropylamine|3-N,N-Dimethylaminopropylamine|BRN 0605293|EINECS 203-680-9|gamma-(Dimethylamino)propylamine|N-Aminopropyl-N,N-dimethylamine|N-Dimethyltrimethylenediamine|N,N-Dimethyl-1,3-diaminopropane|N,N-DIMETHYL-1,3-PROPANDIAMIN|N,N-Dimethyl-1,3-propanediamine|N,N-Dimethyl-1,3-propylenediamine|N,N-Dimethyl-3-aminopropylamine|N,N-Dimethyl-N-(3-aminopropyl)amine|N,N-Dimethylpropylenediamine|N,N-Dimethyltrimethylenediamine|N',N'-Dimethylpropane-1,3-diamine|NSC 1067|PROPANE-1,3-DIAMINE, N,N-DIMETHYL-|Propylamine|1190921-64-2|68497-58-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025102 https://doi.org/10.22427/NTP-DATA-DTXSID5025102
ERPathway2016 ERPathway2016_1125 3-(Dimethylamino)propylamine 109-55-7 DTXSID5025102 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)CCCN 3-(Dimethylamino)propylamine 109-55-7|3-(Dimethylamino)propylamine|(3-Aminopropyl)dimethylamine|(3-Dimethylaminopropan-1-yl)amine|1-(Dimethylamino)-3-aminopropane|1-Amino-3-(dimethylamino)propane|1-Amino-3-dimethylaminopropane|1,3-Propanediamine, N,N-dimethyl-|1,3-Propanediamine, N1,N1-dimethyl-|3-(Dimethylamino)-1-aminopropane|3-(Dimethylamino)-1-propanamine|3-(Dimethylamino)-1-propylamine|3-(Dimethylamino)propanamine|3-Amino-1-(dimethylamino)propane|3-aminopropildimetilamina|3-Aminopropyldimethylamin|3-Aminopropyldimethylamine|3-DIMETHYLAMINO PROPYLAMINE|3-Dimethylaminopropylamine|3-N,N-Dimethylaminopropylamine|BRN 0605293|EINECS 203-680-9|gamma-(Dimethylamino)propylamine|N-Aminopropyl-N,N-dimethylamine|N-Dimethyltrimethylenediamine|N,N-Dimethyl-1,3-diaminopropane|N,N-DIMETHYL-1,3-PROPANDIAMIN|N,N-Dimethyl-1,3-propanediamine|N,N-Dimethyl-1,3-propylenediamine|N,N-Dimethyl-3-aminopropylamine|N,N-Dimethyl-N-(3-aminopropyl)amine|N,N-Dimethylpropylenediamine|N,N-Dimethyltrimethylenediamine|N',N'-Dimethylpropane-1,3-diamine|NSC 1067|PROPANE-1,3-DIAMINE, N,N-DIMETHYL-|Propylamine|1190921-64-2|68497-58-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025102 https://doi.org/10.22427/NTP-DATA-DTXSID5025102
ERPathway2016 ERPathway2016_1125 3-(Dimethylamino)propylamine 109-55-7 DTXSID5025102 ER Pathway Model, Agonist Call Inactive Unitless CN(C)CCCN 3-(Dimethylamino)propylamine 109-55-7|3-(Dimethylamino)propylamine|(3-Aminopropyl)dimethylamine|(3-Dimethylaminopropan-1-yl)amine|1-(Dimethylamino)-3-aminopropane|1-Amino-3-(dimethylamino)propane|1-Amino-3-dimethylaminopropane|1,3-Propanediamine, N,N-dimethyl-|1,3-Propanediamine, N1,N1-dimethyl-|3-(Dimethylamino)-1-aminopropane|3-(Dimethylamino)-1-propanamine|3-(Dimethylamino)-1-propylamine|3-(Dimethylamino)propanamine|3-Amino-1-(dimethylamino)propane|3-aminopropildimetilamina|3-Aminopropyldimethylamin|3-Aminopropyldimethylamine|3-DIMETHYLAMINO PROPYLAMINE|3-Dimethylaminopropylamine|3-N,N-Dimethylaminopropylamine|BRN 0605293|EINECS 203-680-9|gamma-(Dimethylamino)propylamine|N-Aminopropyl-N,N-dimethylamine|N-Dimethyltrimethylenediamine|N,N-Dimethyl-1,3-diaminopropane|N,N-DIMETHYL-1,3-PROPANDIAMIN|N,N-Dimethyl-1,3-propanediamine|N,N-Dimethyl-1,3-propylenediamine|N,N-Dimethyl-3-aminopropylamine|N,N-Dimethyl-N-(3-aminopropyl)amine|N,N-Dimethylpropylenediamine|N,N-Dimethyltrimethylenediamine|N',N'-Dimethylpropane-1,3-diamine|NSC 1067|PROPANE-1,3-DIAMINE, N,N-DIMETHYL-|Propylamine|1190921-64-2|68497-58-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025102 https://doi.org/10.22427/NTP-DATA-DTXSID5025102
ERPathway2016 ERPathway2016_1125 3-(Dimethylamino)propylamine 109-55-7 DTXSID5025102 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)CCCN 3-(Dimethylamino)propylamine 109-55-7|3-(Dimethylamino)propylamine|(3-Aminopropyl)dimethylamine|(3-Dimethylaminopropan-1-yl)amine|1-(Dimethylamino)-3-aminopropane|1-Amino-3-(dimethylamino)propane|1-Amino-3-dimethylaminopropane|1,3-Propanediamine, N,N-dimethyl-|1,3-Propanediamine, N1,N1-dimethyl-|3-(Dimethylamino)-1-aminopropane|3-(Dimethylamino)-1-propanamine|3-(Dimethylamino)-1-propylamine|3-(Dimethylamino)propanamine|3-Amino-1-(dimethylamino)propane|3-aminopropildimetilamina|3-Aminopropyldimethylamin|3-Aminopropyldimethylamine|3-DIMETHYLAMINO PROPYLAMINE|3-Dimethylaminopropylamine|3-N,N-Dimethylaminopropylamine|BRN 0605293|EINECS 203-680-9|gamma-(Dimethylamino)propylamine|N-Aminopropyl-N,N-dimethylamine|N-Dimethyltrimethylenediamine|N,N-Dimethyl-1,3-diaminopropane|N,N-DIMETHYL-1,3-PROPANDIAMIN|N,N-Dimethyl-1,3-propanediamine|N,N-Dimethyl-1,3-propylenediamine|N,N-Dimethyl-3-aminopropylamine|N,N-Dimethyl-N-(3-aminopropyl)amine|N,N-Dimethylpropylenediamine|N,N-Dimethyltrimethylenediamine|N',N'-Dimethylpropane-1,3-diamine|NSC 1067|PROPANE-1,3-DIAMINE, N,N-DIMETHYL-|Propylamine|1190921-64-2|68497-58-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025102 https://doi.org/10.22427/NTP-DATA-DTXSID5025102
ARPathway2016 ARPathway2016_1141 3-(Methylthio)propanal 3268-49-3 DTXSID9027528 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CSCCC=O 3-(Methylthio)propanal 3268-49-3|3-(Methylthio)propanal|3-(Methylmercapto)propionaldehyde|3-(Methylsulfanyl)propanal|3-(Methylthio)-1-propanal|3-(Methylthio)-Propanal|3-(Methylthio)-Propionaldehyde|3-(Methylthio)propanal (Methional)|3-(Methylthio)propionaldehyd|3-(Methylthio)propionaldehyde|3-(Methylthio)propionaldehyde (methional)|3-(Methylthio)propionaldehyde, 8CI|3-(Methylthiol)propanal|3-(Methythio)-propanal|3-(metiltio)propionaldehido|3-[Methylthio]propionaldehyde|3-Methylmercapto-propionaldehyde|3-Methylmercaptopropyl aldehyde|3-Methylsulfanyl-propanal|3-Methylsulfanyl-propionaldehyde|3-Methylsulfanylpropionaldehyde|3-Methylthio-propionaldehyde|3-Methylthiopropanal|3-Methylthiopropional|4-THIAPENTANAL|4-Thiapentanal [UN2785] [Poison]|beta -(methylmercapto)propionaldehyde|beta -(methylthio)propionaldehyde|beta-(Methylmercapto)propionaldehyde|beta-(Methylthio)propionaldehyde|BRN 1739289|C4H8OS|EINECS 221-882-5|FEMA 2747|FEMA No. 2747|METHIONAL|Methylmercaptoaldehyde|Methylmercaptopropionaldehyde|Methylmercaptopropionic aldehyde|MMP|NSC 15874|Propanal, 3-(methy https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027528 https://doi.org/10.22427/NTP-DATA-DTXSID9027528
ARPathway2016 ARPathway2016_1141 3-(Methylthio)propanal 3268-49-3 DTXSID9027528 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CSCCC=O 3-(Methylthio)propanal 3268-49-3|3-(Methylthio)propanal|3-(Methylmercapto)propionaldehyde|3-(Methylsulfanyl)propanal|3-(Methylthio)-1-propanal|3-(Methylthio)-Propanal|3-(Methylthio)-Propionaldehyde|3-(Methylthio)propanal (Methional)|3-(Methylthio)propionaldehyd|3-(Methylthio)propionaldehyde|3-(Methylthio)propionaldehyde (methional)|3-(Methylthio)propionaldehyde, 8CI|3-(Methylthiol)propanal|3-(Methythio)-propanal|3-(metiltio)propionaldehido|3-[Methylthio]propionaldehyde|3-Methylmercapto-propionaldehyde|3-Methylmercaptopropyl aldehyde|3-Methylsulfanyl-propanal|3-Methylsulfanyl-propionaldehyde|3-Methylsulfanylpropionaldehyde|3-Methylthio-propionaldehyde|3-Methylthiopropanal|3-Methylthiopropional|4-THIAPENTANAL|4-Thiapentanal [UN2785] [Poison]|beta -(methylmercapto)propionaldehyde|beta -(methylthio)propionaldehyde|beta-(Methylmercapto)propionaldehyde|beta-(Methylthio)propionaldehyde|BRN 1739289|C4H8OS|EINECS 221-882-5|FEMA 2747|FEMA No. 2747|METHIONAL|Methylmercaptoaldehyde|Methylmercaptopropionaldehyde|Methylmercaptopropionic aldehyde|MMP|NSC 15874|Propanal, 3-(methy https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027528 https://doi.org/10.22427/NTP-DATA-DTXSID9027528
ARPathway2016 ARPathway2016_1141 3-(Methylthio)propanal 3268-49-3 DTXSID9027528 0.0 AR Pathway Model, Agonist Call Inactive Unitless CSCCC=O 3-(Methylthio)propanal 3268-49-3|3-(Methylthio)propanal|3-(Methylmercapto)propionaldehyde|3-(Methylsulfanyl)propanal|3-(Methylthio)-1-propanal|3-(Methylthio)-Propanal|3-(Methylthio)-Propionaldehyde|3-(Methylthio)propanal (Methional)|3-(Methylthio)propionaldehyd|3-(Methylthio)propionaldehyde|3-(Methylthio)propionaldehyde (methional)|3-(Methylthio)propionaldehyde, 8CI|3-(Methylthiol)propanal|3-(Methythio)-propanal|3-(metiltio)propionaldehido|3-[Methylthio]propionaldehyde|3-Methylmercapto-propionaldehyde|3-Methylmercaptopropyl aldehyde|3-Methylsulfanyl-propanal|3-Methylsulfanyl-propionaldehyde|3-Methylsulfanylpropionaldehyde|3-Methylthio-propionaldehyde|3-Methylthiopropanal|3-Methylthiopropional|4-THIAPENTANAL|4-Thiapentanal [UN2785] [Poison]|beta -(methylmercapto)propionaldehyde|beta -(methylthio)propionaldehyde|beta-(Methylmercapto)propionaldehyde|beta-(Methylthio)propionaldehyde|BRN 1739289|C4H8OS|EINECS 221-882-5|FEMA 2747|FEMA No. 2747|METHIONAL|Methylmercaptoaldehyde|Methylmercaptopropionaldehyde|Methylmercaptopropionic aldehyde|MMP|NSC 15874|Propanal, 3-(methy https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027528 https://doi.org/10.22427/NTP-DATA-DTXSID9027528
ARPathway2016 ARPathway2016_1141 3-(Methylthio)propanal 3268-49-3 DTXSID9027528 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CSCCC=O 3-(Methylthio)propanal 3268-49-3|3-(Methylthio)propanal|3-(Methylmercapto)propionaldehyde|3-(Methylsulfanyl)propanal|3-(Methylthio)-1-propanal|3-(Methylthio)-Propanal|3-(Methylthio)-Propionaldehyde|3-(Methylthio)propanal (Methional)|3-(Methylthio)propionaldehyd|3-(Methylthio)propionaldehyde|3-(Methylthio)propionaldehyde (methional)|3-(Methylthio)propionaldehyde, 8CI|3-(Methylthiol)propanal|3-(Methythio)-propanal|3-(metiltio)propionaldehido|3-[Methylthio]propionaldehyde|3-Methylmercapto-propionaldehyde|3-Methylmercaptopropyl aldehyde|3-Methylsulfanyl-propanal|3-Methylsulfanyl-propionaldehyde|3-Methylsulfanylpropionaldehyde|3-Methylthio-propionaldehyde|3-Methylthiopropanal|3-Methylthiopropional|4-THIAPENTANAL|4-Thiapentanal [UN2785] [Poison]|beta -(methylmercapto)propionaldehyde|beta -(methylthio)propionaldehyde|beta-(Methylmercapto)propionaldehyde|beta-(Methylthio)propionaldehyde|BRN 1739289|C4H8OS|EINECS 221-882-5|FEMA 2747|FEMA No. 2747|METHIONAL|Methylmercaptoaldehyde|Methylmercaptopropionaldehyde|Methylmercaptopropionic aldehyde|MMP|NSC 15874|Propanal, 3-(methy https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027528 https://doi.org/10.22427/NTP-DATA-DTXSID9027528
ERPathway2016 ERPathway2016_932 3-(Methylthio)propanal 3268-49-3 DTXSID9027528 ER Pathway Model, Agonist Model Score 0 Unitless CSCCC=O 3-(Methylthio)propanal 3268-49-3|3-(Methylthio)propanal|3-(Methylmercapto)propionaldehyde|3-(Methylsulfanyl)propanal|3-(Methylthio)-1-propanal|3-(Methylthio)-Propanal|3-(Methylthio)-Propionaldehyde|3-(Methylthio)propanal (Methional)|3-(Methylthio)propionaldehyd|3-(Methylthio)propionaldehyde|3-(Methylthio)propionaldehyde (methional)|3-(Methylthio)propionaldehyde, 8CI|3-(Methylthiol)propanal|3-(Methythio)-propanal|3-(metiltio)propionaldehido|3-[Methylthio]propionaldehyde|3-Methylmercapto-propionaldehyde|3-Methylmercaptopropyl aldehyde|3-Methylsulfanyl-propanal|3-Methylsulfanyl-propionaldehyde|3-Methylsulfanylpropionaldehyde|3-Methylthio-propionaldehyde|3-Methylthiopropanal|3-Methylthiopropional|4-THIAPENTANAL|4-Thiapentanal [UN2785] [Poison]|beta -(methylmercapto)propionaldehyde|beta -(methylthio)propionaldehyde|beta-(Methylmercapto)propionaldehyde|beta-(Methylthio)propionaldehyde|BRN 1739289|C4H8OS|EINECS 221-882-5|FEMA 2747|FEMA No. 2747|METHIONAL|Methylmercaptoaldehyde|Methylmercaptopropionaldehyde|Methylmercaptopropionic aldehyde|MMP|NSC 15874|Propanal, 3-(methy https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027528 https://doi.org/10.22427/NTP-DATA-DTXSID9027528
ERPathway2016 ERPathway2016_932 3-(Methylthio)propanal 3268-49-3 DTXSID9027528 ER Pathway Model, Antagonist Model Score 0 Unitless CSCCC=O 3-(Methylthio)propanal 3268-49-3|3-(Methylthio)propanal|3-(Methylmercapto)propionaldehyde|3-(Methylsulfanyl)propanal|3-(Methylthio)-1-propanal|3-(Methylthio)-Propanal|3-(Methylthio)-Propionaldehyde|3-(Methylthio)propanal (Methional)|3-(Methylthio)propionaldehyd|3-(Methylthio)propionaldehyde|3-(Methylthio)propionaldehyde (methional)|3-(Methylthio)propionaldehyde, 8CI|3-(Methylthiol)propanal|3-(Methythio)-propanal|3-(metiltio)propionaldehido|3-[Methylthio]propionaldehyde|3-Methylmercapto-propionaldehyde|3-Methylmercaptopropyl aldehyde|3-Methylsulfanyl-propanal|3-Methylsulfanyl-propionaldehyde|3-Methylsulfanylpropionaldehyde|3-Methylthio-propionaldehyde|3-Methylthiopropanal|3-Methylthiopropional|4-THIAPENTANAL|4-Thiapentanal [UN2785] [Poison]|beta -(methylmercapto)propionaldehyde|beta -(methylthio)propionaldehyde|beta-(Methylmercapto)propionaldehyde|beta-(Methylthio)propionaldehyde|BRN 1739289|C4H8OS|EINECS 221-882-5|FEMA 2747|FEMA No. 2747|METHIONAL|Methylmercaptoaldehyde|Methylmercaptopropionaldehyde|Methylmercaptopropionic aldehyde|MMP|NSC 15874|Propanal, 3-(methy https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027528 https://doi.org/10.22427/NTP-DATA-DTXSID9027528
ERPathway2016 ERPathway2016_932 3-(Methylthio)propanal 3268-49-3 DTXSID9027528 ER Pathway Model, Agonist Call Inactive Unitless CSCCC=O 3-(Methylthio)propanal 3268-49-3|3-(Methylthio)propanal|3-(Methylmercapto)propionaldehyde|3-(Methylsulfanyl)propanal|3-(Methylthio)-1-propanal|3-(Methylthio)-Propanal|3-(Methylthio)-Propionaldehyde|3-(Methylthio)propanal (Methional)|3-(Methylthio)propionaldehyd|3-(Methylthio)propionaldehyde|3-(Methylthio)propionaldehyde (methional)|3-(Methylthio)propionaldehyde, 8CI|3-(Methylthiol)propanal|3-(Methythio)-propanal|3-(metiltio)propionaldehido|3-[Methylthio]propionaldehyde|3-Methylmercapto-propionaldehyde|3-Methylmercaptopropyl aldehyde|3-Methylsulfanyl-propanal|3-Methylsulfanyl-propionaldehyde|3-Methylsulfanylpropionaldehyde|3-Methylthio-propionaldehyde|3-Methylthiopropanal|3-Methylthiopropional|4-THIAPENTANAL|4-Thiapentanal [UN2785] [Poison]|beta -(methylmercapto)propionaldehyde|beta -(methylthio)propionaldehyde|beta-(Methylmercapto)propionaldehyde|beta-(Methylthio)propionaldehyde|BRN 1739289|C4H8OS|EINECS 221-882-5|FEMA 2747|FEMA No. 2747|METHIONAL|Methylmercaptoaldehyde|Methylmercaptopropionaldehyde|Methylmercaptopropionic aldehyde|MMP|NSC 15874|Propanal, 3-(methy https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027528 https://doi.org/10.22427/NTP-DATA-DTXSID9027528
ERPathway2016 ERPathway2016_932 3-(Methylthio)propanal 3268-49-3 DTXSID9027528 ER Pathway Model, Antagonist Call Inactive Unitless CSCCC=O 3-(Methylthio)propanal 3268-49-3|3-(Methylthio)propanal|3-(Methylmercapto)propionaldehyde|3-(Methylsulfanyl)propanal|3-(Methylthio)-1-propanal|3-(Methylthio)-Propanal|3-(Methylthio)-Propionaldehyde|3-(Methylthio)propanal (Methional)|3-(Methylthio)propionaldehyd|3-(Methylthio)propionaldehyde|3-(Methylthio)propionaldehyde (methional)|3-(Methylthio)propionaldehyde, 8CI|3-(Methylthiol)propanal|3-(Methythio)-propanal|3-(metiltio)propionaldehido|3-[Methylthio]propionaldehyde|3-Methylmercapto-propionaldehyde|3-Methylmercaptopropyl aldehyde|3-Methylsulfanyl-propanal|3-Methylsulfanyl-propionaldehyde|3-Methylsulfanylpropionaldehyde|3-Methylthio-propionaldehyde|3-Methylthiopropanal|3-Methylthiopropional|4-THIAPENTANAL|4-Thiapentanal [UN2785] [Poison]|beta -(methylmercapto)propionaldehyde|beta -(methylthio)propionaldehyde|beta-(Methylmercapto)propionaldehyde|beta-(Methylthio)propionaldehyde|BRN 1739289|C4H8OS|EINECS 221-882-5|FEMA 2747|FEMA No. 2747|METHIONAL|Methylmercaptoaldehyde|Methylmercaptopropionaldehyde|Methylmercaptopropionic aldehyde|MMP|NSC 15874|Propanal, 3-(methy https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027528 https://doi.org/10.22427/NTP-DATA-DTXSID9027528
ARPathway2016 ARPathway2016_1678 3-(Trifluoromethyl)-4-nitrophenol 88-30-2 DTXSID7021788 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F 3-(Trifluoromethyl)-4-nitrophenol 88-30-2|3-(Trifluoromethyl)-4-nitrophenol|1-Nitro-4-hydroxy-2-(trifluoromethyl)benzene|3-(Trifluoromethyl)-4-nitrophenol|3-06-00-01328|4-Nitro-3-(trifluoromethyl)phenol|5-Hydroxy-2-nitrobenzotrifluoride|BRN 2053698|Caswell No. 890|Dowlap F|EINECS 201-818-2|EPA Pesticide Chemical Code 036201|Lamprecid|m-Cresol, 4-nitro-alpha,alpha,alpha-trifluoro-|m-Cresol, a,a,a-trifluoro-4-nitro-|NSC 59758|Phenol, 4-nitro-3-(trifluoromethyl)-|Phenol, m-trifluoromethyl-|TFM|TFM (piscicide)|Trifluoro-4-nitro-m-cresol|UNII-96W52A3IFS|a,a,a-Trifluoro-4-nitro-m-cresol https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021788
ARPathway2016 ARPathway2016_1678 3-(Trifluoromethyl)-4-nitrophenol 88-30-2 DTXSID7021788 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F 3-(Trifluoromethyl)-4-nitrophenol 88-30-2|3-(Trifluoromethyl)-4-nitrophenol|1-Nitro-4-hydroxy-2-(trifluoromethyl)benzene|3-(Trifluoromethyl)-4-nitrophenol|3-06-00-01328|4-Nitro-3-(trifluoromethyl)phenol|5-Hydroxy-2-nitrobenzotrifluoride|BRN 2053698|Caswell No. 890|Dowlap F|EINECS 201-818-2|EPA Pesticide Chemical Code 036201|Lamprecid|m-Cresol, 4-nitro-alpha,alpha,alpha-trifluoro-|m-Cresol, a,a,a-trifluoro-4-nitro-|NSC 59758|Phenol, 4-nitro-3-(trifluoromethyl)-|Phenol, m-trifluoromethyl-|TFM|TFM (piscicide)|Trifluoro-4-nitro-m-cresol|UNII-96W52A3IFS|a,a,a-Trifluoro-4-nitro-m-cresol https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021788
ARPathway2016 ARPathway2016_1678 3-(Trifluoromethyl)-4-nitrophenol 88-30-2 DTXSID7021788 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F 3-(Trifluoromethyl)-4-nitrophenol 88-30-2|3-(Trifluoromethyl)-4-nitrophenol|1-Nitro-4-hydroxy-2-(trifluoromethyl)benzene|3-(Trifluoromethyl)-4-nitrophenol|3-06-00-01328|4-Nitro-3-(trifluoromethyl)phenol|5-Hydroxy-2-nitrobenzotrifluoride|BRN 2053698|Caswell No. 890|Dowlap F|EINECS 201-818-2|EPA Pesticide Chemical Code 036201|Lamprecid|m-Cresol, 4-nitro-alpha,alpha,alpha-trifluoro-|m-Cresol, a,a,a-trifluoro-4-nitro-|NSC 59758|Phenol, 4-nitro-3-(trifluoromethyl)-|Phenol, m-trifluoromethyl-|TFM|TFM (piscicide)|Trifluoro-4-nitro-m-cresol|UNII-96W52A3IFS|a,a,a-Trifluoro-4-nitro-m-cresol https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021788
ARPathway2016 ARPathway2016_1678 3-(Trifluoromethyl)-4-nitrophenol 88-30-2 DTXSID7021788 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F 3-(Trifluoromethyl)-4-nitrophenol 88-30-2|3-(Trifluoromethyl)-4-nitrophenol|1-Nitro-4-hydroxy-2-(trifluoromethyl)benzene|3-(Trifluoromethyl)-4-nitrophenol|3-06-00-01328|4-Nitro-3-(trifluoromethyl)phenol|5-Hydroxy-2-nitrobenzotrifluoride|BRN 2053698|Caswell No. 890|Dowlap F|EINECS 201-818-2|EPA Pesticide Chemical Code 036201|Lamprecid|m-Cresol, 4-nitro-alpha,alpha,alpha-trifluoro-|m-Cresol, a,a,a-trifluoro-4-nitro-|NSC 59758|Phenol, 4-nitro-3-(trifluoromethyl)-|Phenol, m-trifluoromethyl-|TFM|TFM (piscicide)|Trifluoro-4-nitro-m-cresol|UNII-96W52A3IFS|a,a,a-Trifluoro-4-nitro-m-cresol https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021788
ERPathway2016 ERPathway2016_31 3-(Trifluoromethyl)-4-nitrophenol 88-30-2 DTXSID7021788 ER Pathway Model, Agonist AC50 44.3969570750459 uM OC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F 3-(Trifluoromethyl)-4-nitrophenol 88-30-2|3-(Trifluoromethyl)-4-nitrophenol|1-Nitro-4-hydroxy-2-(trifluoromethyl)benzene|3-(Trifluoromethyl)-4-nitrophenol|3-06-00-01328|4-Nitro-3-(trifluoromethyl)phenol|5-Hydroxy-2-nitrobenzotrifluoride|BRN 2053698|Caswell No. 890|Dowlap F|EINECS 201-818-2|EPA Pesticide Chemical Code 036201|Lamprecid|m-Cresol, 4-nitro-alpha,alpha,alpha-trifluoro-|m-Cresol, a,a,a-trifluoro-4-nitro-|NSC 59758|Phenol, 4-nitro-3-(trifluoromethyl)-|Phenol, m-trifluoromethyl-|TFM|TFM (piscicide)|Trifluoro-4-nitro-m-cresol|UNII-96W52A3IFS|a,a,a-Trifluoro-4-nitro-m-cresol https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021788
ERPathway2016 ERPathway2016_31 3-(Trifluoromethyl)-4-nitrophenol 88-30-2 DTXSID7021788 ER Pathway Model, Agonist ACC 23.8778831083107 uM OC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F 3-(Trifluoromethyl)-4-nitrophenol 88-30-2|3-(Trifluoromethyl)-4-nitrophenol|1-Nitro-4-hydroxy-2-(trifluoromethyl)benzene|3-(Trifluoromethyl)-4-nitrophenol|3-06-00-01328|4-Nitro-3-(trifluoromethyl)phenol|5-Hydroxy-2-nitrobenzotrifluoride|BRN 2053698|Caswell No. 890|Dowlap F|EINECS 201-818-2|EPA Pesticide Chemical Code 036201|Lamprecid|m-Cresol, 4-nitro-alpha,alpha,alpha-trifluoro-|m-Cresol, a,a,a-trifluoro-4-nitro-|NSC 59758|Phenol, 4-nitro-3-(trifluoromethyl)-|Phenol, m-trifluoromethyl-|TFM|TFM (piscicide)|Trifluoro-4-nitro-m-cresol|UNII-96W52A3IFS|a,a,a-Trifluoro-4-nitro-m-cresol https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021788
ERPathway2016 ERPathway2016_31 3-(Trifluoromethyl)-4-nitrophenol 88-30-2 DTXSID7021788 ER Pathway Model, Agonist Model Score 0.00604 Unitless OC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F 3-(Trifluoromethyl)-4-nitrophenol 88-30-2|3-(Trifluoromethyl)-4-nitrophenol|1-Nitro-4-hydroxy-2-(trifluoromethyl)benzene|3-(Trifluoromethyl)-4-nitrophenol|3-06-00-01328|4-Nitro-3-(trifluoromethyl)phenol|5-Hydroxy-2-nitrobenzotrifluoride|BRN 2053698|Caswell No. 890|Dowlap F|EINECS 201-818-2|EPA Pesticide Chemical Code 036201|Lamprecid|m-Cresol, 4-nitro-alpha,alpha,alpha-trifluoro-|m-Cresol, a,a,a-trifluoro-4-nitro-|NSC 59758|Phenol, 4-nitro-3-(trifluoromethyl)-|Phenol, m-trifluoromethyl-|TFM|TFM (piscicide)|Trifluoro-4-nitro-m-cresol|UNII-96W52A3IFS|a,a,a-Trifluoro-4-nitro-m-cresol https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021788
ERPathway2016 ERPathway2016_31 3-(Trifluoromethyl)-4-nitrophenol 88-30-2 DTXSID7021788 ER Pathway Model, Antagonist Model Score 0.0311 Unitless OC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F 3-(Trifluoromethyl)-4-nitrophenol 88-30-2|3-(Trifluoromethyl)-4-nitrophenol|1-Nitro-4-hydroxy-2-(trifluoromethyl)benzene|3-(Trifluoromethyl)-4-nitrophenol|3-06-00-01328|4-Nitro-3-(trifluoromethyl)phenol|5-Hydroxy-2-nitrobenzotrifluoride|BRN 2053698|Caswell No. 890|Dowlap F|EINECS 201-818-2|EPA Pesticide Chemical Code 036201|Lamprecid|m-Cresol, 4-nitro-alpha,alpha,alpha-trifluoro-|m-Cresol, a,a,a-trifluoro-4-nitro-|NSC 59758|Phenol, 4-nitro-3-(trifluoromethyl)-|Phenol, m-trifluoromethyl-|TFM|TFM (piscicide)|Trifluoro-4-nitro-m-cresol|UNII-96W52A3IFS|a,a,a-Trifluoro-4-nitro-m-cresol https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021788
ERPathway2016 ERPathway2016_31 3-(Trifluoromethyl)-4-nitrophenol 88-30-2 DTXSID7021788 ER Pathway Model, Agonist Call Active Unitless OC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F 3-(Trifluoromethyl)-4-nitrophenol 88-30-2|3-(Trifluoromethyl)-4-nitrophenol|1-Nitro-4-hydroxy-2-(trifluoromethyl)benzene|3-(Trifluoromethyl)-4-nitrophenol|3-06-00-01328|4-Nitro-3-(trifluoromethyl)phenol|5-Hydroxy-2-nitrobenzotrifluoride|BRN 2053698|Caswell No. 890|Dowlap F|EINECS 201-818-2|EPA Pesticide Chemical Code 036201|Lamprecid|m-Cresol, 4-nitro-alpha,alpha,alpha-trifluoro-|m-Cresol, a,a,a-trifluoro-4-nitro-|NSC 59758|Phenol, 4-nitro-3-(trifluoromethyl)-|Phenol, m-trifluoromethyl-|TFM|TFM (piscicide)|Trifluoro-4-nitro-m-cresol|UNII-96W52A3IFS|a,a,a-Trifluoro-4-nitro-m-cresol https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021788
ERPathway2016 ERPathway2016_31 3-(Trifluoromethyl)-4-nitrophenol 88-30-2 DTXSID7021788 ER Pathway Model, Antagonist Call Inactive Unitless OC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F 3-(Trifluoromethyl)-4-nitrophenol 88-30-2|3-(Trifluoromethyl)-4-nitrophenol|1-Nitro-4-hydroxy-2-(trifluoromethyl)benzene|3-(Trifluoromethyl)-4-nitrophenol|3-06-00-01328|4-Nitro-3-(trifluoromethyl)phenol|5-Hydroxy-2-nitrobenzotrifluoride|BRN 2053698|Caswell No. 890|Dowlap F|EINECS 201-818-2|EPA Pesticide Chemical Code 036201|Lamprecid|m-Cresol, 4-nitro-alpha,alpha,alpha-trifluoro-|m-Cresol, a,a,a-trifluoro-4-nitro-|NSC 59758|Phenol, 4-nitro-3-(trifluoromethyl)-|Phenol, m-trifluoromethyl-|TFM|TFM (piscicide)|Trifluoro-4-nitro-m-cresol|UNII-96W52A3IFS|a,a,a-Trifluoro-4-nitro-m-cresol https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021788
ARPathway2016 ARPathway2016_282 3,3',5,5'-Tetrabromobisphenol A 79-94-7 DTXSID1026081 2.0 Antagonist AR Pathway Model, Agonist AC50 30.58892862 uM CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1 3,3',5,5'-Tetrabromobisphenol A 79-94-7|3,3',5,5'-Tetrabromobisphenol A|2, 2-Bis (4'-hydroxy-3',-5'-dibromophenyl) propane|2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dibromophenyl)propane|2,2',6,6'-Tetrabrom-4,4'-isopropylidendiphenol|2,2',6,6'-tetrabromo-4,4'-isopropilidendifenol|2,2',6,6'-tetrabromo-4,4'-isopropylidenediphenol|2,2',6,6'-Tetrabromobisphenol A|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-methylethyl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxy-phenyl)propan-2-yl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol|3,5,3',5'-Tetrabromobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dibromophenol)|4,4'-(1-Methylethylidene)bis[2,6-dibromophenol]|4,4'-(2,2-propanediyl) bis[2,6-dibromo]phenol|4,4'-Isopropylidenebis(2,6-dibromophenol)|4,4'-Isopropylidenebis[2,6-dibromophenol]|4,4'-Isopropylylidenebis(2,6-dibromophenol)|BIS(PHENOL, 2,6-DIBROMO), 4,4'-(1-METHYLETHYLIDENE)|BISPHENOL A, TETRABROMO-|BISPHENOL, 4,4'-(1-METHYLETHYLIDENE)TETRABROMO-|Bromdian|EINEC|107719-55-1|108608-60-2|110670-65-0|124779-54-0|131891-38-8|186673-39-2|224951-26-2|30496-13-0|51253-31-7|7300-23-4|76341-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026081 https://doi.org/10.22427/NTP-DATA-DTXSID1026081
ARPathway2016 ARPathway2016_282 3,3',5,5'-Tetrabromobisphenol A 79-94-7 DTXSID1026081 2.0 Antagonist AR Pathway Model, Agonist ACC 38.6363758618556 uM CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1 3,3',5,5'-Tetrabromobisphenol A 79-94-7|3,3',5,5'-Tetrabromobisphenol A|2, 2-Bis (4'-hydroxy-3',-5'-dibromophenyl) propane|2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dibromophenyl)propane|2,2',6,6'-Tetrabrom-4,4'-isopropylidendiphenol|2,2',6,6'-tetrabromo-4,4'-isopropilidendifenol|2,2',6,6'-tetrabromo-4,4'-isopropylidenediphenol|2,2',6,6'-Tetrabromobisphenol A|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-methylethyl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxy-phenyl)propan-2-yl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol|3,5,3',5'-Tetrabromobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dibromophenol)|4,4'-(1-Methylethylidene)bis[2,6-dibromophenol]|4,4'-(2,2-propanediyl) bis[2,6-dibromo]phenol|4,4'-Isopropylidenebis(2,6-dibromophenol)|4,4'-Isopropylidenebis[2,6-dibromophenol]|4,4'-Isopropylylidenebis(2,6-dibromophenol)|BIS(PHENOL, 2,6-DIBROMO), 4,4'-(1-METHYLETHYLIDENE)|BISPHENOL A, TETRABROMO-|BISPHENOL, 4,4'-(1-METHYLETHYLIDENE)TETRABROMO-|Bromdian|EINEC|107719-55-1|108608-60-2|110670-65-0|124779-54-0|131891-38-8|186673-39-2|224951-26-2|30496-13-0|51253-31-7|7300-23-4|76341-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026081 https://doi.org/10.22427/NTP-DATA-DTXSID1026081
ARPathway2016 ARPathway2016_282 3,3',5,5'-Tetrabromobisphenol A 79-94-7 DTXSID1026081 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.104 Unitless CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1 3,3',5,5'-Tetrabromobisphenol A 79-94-7|3,3',5,5'-Tetrabromobisphenol A|2, 2-Bis (4'-hydroxy-3',-5'-dibromophenyl) propane|2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dibromophenyl)propane|2,2',6,6'-Tetrabrom-4,4'-isopropylidendiphenol|2,2',6,6'-tetrabromo-4,4'-isopropilidendifenol|2,2',6,6'-tetrabromo-4,4'-isopropylidenediphenol|2,2',6,6'-Tetrabromobisphenol A|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-methylethyl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxy-phenyl)propan-2-yl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol|3,5,3',5'-Tetrabromobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dibromophenol)|4,4'-(1-Methylethylidene)bis[2,6-dibromophenol]|4,4'-(2,2-propanediyl) bis[2,6-dibromo]phenol|4,4'-Isopropylidenebis(2,6-dibromophenol)|4,4'-Isopropylidenebis[2,6-dibromophenol]|4,4'-Isopropylylidenebis(2,6-dibromophenol)|BIS(PHENOL, 2,6-DIBROMO), 4,4'-(1-METHYLETHYLIDENE)|BISPHENOL A, TETRABROMO-|BISPHENOL, 4,4'-(1-METHYLETHYLIDENE)TETRABROMO-|Bromdian|EINEC|107719-55-1|108608-60-2|110670-65-0|124779-54-0|131891-38-8|186673-39-2|224951-26-2|30496-13-0|51253-31-7|7300-23-4|76341-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026081 https://doi.org/10.22427/NTP-DATA-DTXSID1026081
ARPathway2016 ARPathway2016_282 3,3',5,5'-Tetrabromobisphenol A 79-94-7 DTXSID1026081 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1 3,3',5,5'-Tetrabromobisphenol A 79-94-7|3,3',5,5'-Tetrabromobisphenol A|2, 2-Bis (4'-hydroxy-3',-5'-dibromophenyl) propane|2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dibromophenyl)propane|2,2',6,6'-Tetrabrom-4,4'-isopropylidendiphenol|2,2',6,6'-tetrabromo-4,4'-isopropilidendifenol|2,2',6,6'-tetrabromo-4,4'-isopropylidenediphenol|2,2',6,6'-Tetrabromobisphenol A|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-methylethyl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxy-phenyl)propan-2-yl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol|3,5,3',5'-Tetrabromobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dibromophenol)|4,4'-(1-Methylethylidene)bis[2,6-dibromophenol]|4,4'-(2,2-propanediyl) bis[2,6-dibromo]phenol|4,4'-Isopropylidenebis(2,6-dibromophenol)|4,4'-Isopropylidenebis[2,6-dibromophenol]|4,4'-Isopropylylidenebis(2,6-dibromophenol)|BIS(PHENOL, 2,6-DIBROMO), 4,4'-(1-METHYLETHYLIDENE)|BISPHENOL A, TETRABROMO-|BISPHENOL, 4,4'-(1-METHYLETHYLIDENE)TETRABROMO-|Bromdian|EINEC|107719-55-1|108608-60-2|110670-65-0|124779-54-0|131891-38-8|186673-39-2|224951-26-2|30496-13-0|51253-31-7|7300-23-4|76341-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026081 https://doi.org/10.22427/NTP-DATA-DTXSID1026081
ARPathway2016 ARPathway2016_282 3,3',5,5'-Tetrabromobisphenol A 79-94-7 DTXSID1026081 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1 3,3',5,5'-Tetrabromobisphenol A 79-94-7|3,3',5,5'-Tetrabromobisphenol A|2, 2-Bis (4'-hydroxy-3',-5'-dibromophenyl) propane|2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dibromophenyl)propane|2,2',6,6'-Tetrabrom-4,4'-isopropylidendiphenol|2,2',6,6'-tetrabromo-4,4'-isopropilidendifenol|2,2',6,6'-tetrabromo-4,4'-isopropylidenediphenol|2,2',6,6'-Tetrabromobisphenol A|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-methylethyl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxy-phenyl)propan-2-yl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol|3,5,3',5'-Tetrabromobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dibromophenol)|4,4'-(1-Methylethylidene)bis[2,6-dibromophenol]|4,4'-(2,2-propanediyl) bis[2,6-dibromo]phenol|4,4'-Isopropylidenebis(2,6-dibromophenol)|4,4'-Isopropylidenebis[2,6-dibromophenol]|4,4'-Isopropylylidenebis(2,6-dibromophenol)|BIS(PHENOL, 2,6-DIBROMO), 4,4'-(1-METHYLETHYLIDENE)|BISPHENOL A, TETRABROMO-|BISPHENOL, 4,4'-(1-METHYLETHYLIDENE)TETRABROMO-|Bromdian|EINEC|107719-55-1|108608-60-2|110670-65-0|124779-54-0|131891-38-8|186673-39-2|224951-26-2|30496-13-0|51253-31-7|7300-23-4|76341-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026081 https://doi.org/10.22427/NTP-DATA-DTXSID1026081
ARPathway2016 ARPathway2016_282 3,3',5,5'-Tetrabromobisphenol A 79-94-7 DTXSID1026081 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1 3,3',5,5'-Tetrabromobisphenol A 79-94-7|3,3',5,5'-Tetrabromobisphenol A|2, 2-Bis (4'-hydroxy-3',-5'-dibromophenyl) propane|2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dibromophenyl)propane|2,2',6,6'-Tetrabrom-4,4'-isopropylidendiphenol|2,2',6,6'-tetrabromo-4,4'-isopropilidendifenol|2,2',6,6'-tetrabromo-4,4'-isopropylidenediphenol|2,2',6,6'-Tetrabromobisphenol A|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-methylethyl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxy-phenyl)propan-2-yl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol|3,5,3',5'-Tetrabromobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dibromophenol)|4,4'-(1-Methylethylidene)bis[2,6-dibromophenol]|4,4'-(2,2-propanediyl) bis[2,6-dibromo]phenol|4,4'-Isopropylidenebis(2,6-dibromophenol)|4,4'-Isopropylidenebis[2,6-dibromophenol]|4,4'-Isopropylylidenebis(2,6-dibromophenol)|BIS(PHENOL, 2,6-DIBROMO), 4,4'-(1-METHYLETHYLIDENE)|BISPHENOL A, TETRABROMO-|BISPHENOL, 4,4'-(1-METHYLETHYLIDENE)TETRABROMO-|Bromdian|EINEC|107719-55-1|108608-60-2|110670-65-0|124779-54-0|131891-38-8|186673-39-2|224951-26-2|30496-13-0|51253-31-7|7300-23-4|76341-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026081 https://doi.org/10.22427/NTP-DATA-DTXSID1026081
ERPathway2016 ERPathway2016_690 3,3',5,5'-Tetrabromobisphenol A 79-94-7 DTXSID1026081 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1 3,3',5,5'-Tetrabromobisphenol A 79-94-7|3,3',5,5'-Tetrabromobisphenol A|2, 2-Bis (4'-hydroxy-3',-5'-dibromophenyl) propane|2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dibromophenyl)propane|2,2',6,6'-Tetrabrom-4,4'-isopropylidendiphenol|2,2',6,6'-tetrabromo-4,4'-isopropilidendifenol|2,2',6,6'-tetrabromo-4,4'-isopropylidenediphenol|2,2',6,6'-Tetrabromobisphenol A|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-methylethyl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxy-phenyl)propan-2-yl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol|3,5,3',5'-Tetrabromobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dibromophenol)|4,4'-(1-Methylethylidene)bis[2,6-dibromophenol]|4,4'-(2,2-propanediyl) bis[2,6-dibromo]phenol|4,4'-Isopropylidenebis(2,6-dibromophenol)|4,4'-Isopropylidenebis[2,6-dibromophenol]|4,4'-Isopropylylidenebis(2,6-dibromophenol)|BIS(PHENOL, 2,6-DIBROMO), 4,4'-(1-METHYLETHYLIDENE)|BISPHENOL A, TETRABROMO-|BISPHENOL, 4,4'-(1-METHYLETHYLIDENE)TETRABROMO-|Bromdian|EINEC|107719-55-1|108608-60-2|110670-65-0|124779-54-0|131891-38-8|186673-39-2|224951-26-2|30496-13-0|51253-31-7|7300-23-4|76341-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026081 https://doi.org/10.22427/NTP-DATA-DTXSID1026081
ERPathway2016 ERPathway2016_690 3,3',5,5'-Tetrabromobisphenol A 79-94-7 DTXSID1026081 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1 3,3',5,5'-Tetrabromobisphenol A 79-94-7|3,3',5,5'-Tetrabromobisphenol A|2, 2-Bis (4'-hydroxy-3',-5'-dibromophenyl) propane|2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dibromophenyl)propane|2,2',6,6'-Tetrabrom-4,4'-isopropylidendiphenol|2,2',6,6'-tetrabromo-4,4'-isopropilidendifenol|2,2',6,6'-tetrabromo-4,4'-isopropylidenediphenol|2,2',6,6'-Tetrabromobisphenol A|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-methylethyl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxy-phenyl)propan-2-yl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol|3,5,3',5'-Tetrabromobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dibromophenol)|4,4'-(1-Methylethylidene)bis[2,6-dibromophenol]|4,4'-(2,2-propanediyl) bis[2,6-dibromo]phenol|4,4'-Isopropylidenebis(2,6-dibromophenol)|4,4'-Isopropylidenebis[2,6-dibromophenol]|4,4'-Isopropylylidenebis(2,6-dibromophenol)|BIS(PHENOL, 2,6-DIBROMO), 4,4'-(1-METHYLETHYLIDENE)|BISPHENOL A, TETRABROMO-|BISPHENOL, 4,4'-(1-METHYLETHYLIDENE)TETRABROMO-|Bromdian|EINEC|107719-55-1|108608-60-2|110670-65-0|124779-54-0|131891-38-8|186673-39-2|224951-26-2|30496-13-0|51253-31-7|7300-23-4|76341-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026081 https://doi.org/10.22427/NTP-DATA-DTXSID1026081
ERPathway2016 ERPathway2016_690 3,3',5,5'-Tetrabromobisphenol A 79-94-7 DTXSID1026081 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1 3,3',5,5'-Tetrabromobisphenol A 79-94-7|3,3',5,5'-Tetrabromobisphenol A|2, 2-Bis (4'-hydroxy-3',-5'-dibromophenyl) propane|2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dibromophenyl)propane|2,2',6,6'-Tetrabrom-4,4'-isopropylidendiphenol|2,2',6,6'-tetrabromo-4,4'-isopropilidendifenol|2,2',6,6'-tetrabromo-4,4'-isopropylidenediphenol|2,2',6,6'-Tetrabromobisphenol A|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-methylethyl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxy-phenyl)propan-2-yl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol|3,5,3',5'-Tetrabromobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dibromophenol)|4,4'-(1-Methylethylidene)bis[2,6-dibromophenol]|4,4'-(2,2-propanediyl) bis[2,6-dibromo]phenol|4,4'-Isopropylidenebis(2,6-dibromophenol)|4,4'-Isopropylidenebis[2,6-dibromophenol]|4,4'-Isopropylylidenebis(2,6-dibromophenol)|BIS(PHENOL, 2,6-DIBROMO), 4,4'-(1-METHYLETHYLIDENE)|BISPHENOL A, TETRABROMO-|BISPHENOL, 4,4'-(1-METHYLETHYLIDENE)TETRABROMO-|Bromdian|EINEC|107719-55-1|108608-60-2|110670-65-0|124779-54-0|131891-38-8|186673-39-2|224951-26-2|30496-13-0|51253-31-7|7300-23-4|76341-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026081 https://doi.org/10.22427/NTP-DATA-DTXSID1026081
ERPathway2016 ERPathway2016_690 3,3',5,5'-Tetrabromobisphenol A 79-94-7 DTXSID1026081 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1 3,3',5,5'-Tetrabromobisphenol A 79-94-7|3,3',5,5'-Tetrabromobisphenol A|2, 2-Bis (4'-hydroxy-3',-5'-dibromophenyl) propane|2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane|2,2-Bis(4-hydroxy-3,5-dibromophenyl)propane|2,2',6,6'-Tetrabrom-4,4'-isopropylidendiphenol|2,2',6,6'-tetrabromo-4,4'-isopropilidendifenol|2,2',6,6'-tetrabromo-4,4'-isopropylidenediphenol|2,2',6,6'-Tetrabromobisphenol A|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol|2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-methylethyl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxy-phenyl)propan-2-yl]phenol|2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol|3,5,3',5'-Tetrabromobisphenol A|4,4'-(1-Methylethylidene)bis(2,6-dibromophenol)|4,4'-(1-Methylethylidene)bis[2,6-dibromophenol]|4,4'-(2,2-propanediyl) bis[2,6-dibromo]phenol|4,4'-Isopropylidenebis(2,6-dibromophenol)|4,4'-Isopropylidenebis[2,6-dibromophenol]|4,4'-Isopropylylidenebis(2,6-dibromophenol)|BIS(PHENOL, 2,6-DIBROMO), 4,4'-(1-METHYLETHYLIDENE)|BISPHENOL A, TETRABROMO-|BISPHENOL, 4,4'-(1-METHYLETHYLIDENE)TETRABROMO-|Bromdian|EINEC|107719-55-1|108608-60-2|110670-65-0|124779-54-0|131891-38-8|186673-39-2|224951-26-2|30496-13-0|51253-31-7|7300-23-4|76341-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026081 https://doi.org/10.22427/NTP-DATA-DTXSID1026081
ARPathway2016 ARPathway2016_631 3,3,5-Trimethylcyclohexanol 116-02-9 DTXSID9041815 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1CC(O)CC(C)(C)C1 3,3,5-Trimethylcyclohexanol 116-02-9|3,3,5-Trimethylcyclohexanol|1-Methyl-3-dimethylcyclohexanol-5|3-06-00-00115|3,3,5-Trimethyl-1-cyclohexanol|3,5,5-Trimethylcyclohexanol|BRN 2203314|Cyclohexanol, 3,3,5-trimethyl-|Cyclonol|dihydroisophorol|EINECS 204-122-7|homomenthol|Isophorol, dihydro-|NSC 4008|UNII-08CL3G94GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041815
ARPathway2016 ARPathway2016_631 3,3,5-Trimethylcyclohexanol 116-02-9 DTXSID9041815 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1CC(O)CC(C)(C)C1 3,3,5-Trimethylcyclohexanol 116-02-9|3,3,5-Trimethylcyclohexanol|1-Methyl-3-dimethylcyclohexanol-5|3-06-00-00115|3,3,5-Trimethyl-1-cyclohexanol|3,5,5-Trimethylcyclohexanol|BRN 2203314|Cyclohexanol, 3,3,5-trimethyl-|Cyclonol|dihydroisophorol|EINECS 204-122-7|homomenthol|Isophorol, dihydro-|NSC 4008|UNII-08CL3G94GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041815
ARPathway2016 ARPathway2016_631 3,3,5-Trimethylcyclohexanol 116-02-9 DTXSID9041815 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1CC(O)CC(C)(C)C1 3,3,5-Trimethylcyclohexanol 116-02-9|3,3,5-Trimethylcyclohexanol|1-Methyl-3-dimethylcyclohexanol-5|3-06-00-00115|3,3,5-Trimethyl-1-cyclohexanol|3,5,5-Trimethylcyclohexanol|BRN 2203314|Cyclohexanol, 3,3,5-trimethyl-|Cyclonol|dihydroisophorol|EINECS 204-122-7|homomenthol|Isophorol, dihydro-|NSC 4008|UNII-08CL3G94GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041815
ARPathway2016 ARPathway2016_631 3,3,5-Trimethylcyclohexanol 116-02-9 DTXSID9041815 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1CC(O)CC(C)(C)C1 3,3,5-Trimethylcyclohexanol 116-02-9|3,3,5-Trimethylcyclohexanol|1-Methyl-3-dimethylcyclohexanol-5|3-06-00-00115|3,3,5-Trimethyl-1-cyclohexanol|3,5,5-Trimethylcyclohexanol|BRN 2203314|Cyclohexanol, 3,3,5-trimethyl-|Cyclonol|dihydroisophorol|EINECS 204-122-7|homomenthol|Isophorol, dihydro-|NSC 4008|UNII-08CL3G94GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041815
ERPathway2016 ERPathway2016_1190 3,3,5-Trimethylcyclohexanol 116-02-9 DTXSID9041815 ER Pathway Model, Agonist Model Score 0 Unitless CC1CC(O)CC(C)(C)C1 3,3,5-Trimethylcyclohexanol 116-02-9|3,3,5-Trimethylcyclohexanol|1-Methyl-3-dimethylcyclohexanol-5|3-06-00-00115|3,3,5-Trimethyl-1-cyclohexanol|3,5,5-Trimethylcyclohexanol|BRN 2203314|Cyclohexanol, 3,3,5-trimethyl-|Cyclonol|dihydroisophorol|EINECS 204-122-7|homomenthol|Isophorol, dihydro-|NSC 4008|UNII-08CL3G94GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041815
ERPathway2016 ERPathway2016_1190 3,3,5-Trimethylcyclohexanol 116-02-9 DTXSID9041815 ER Pathway Model, Antagonist Model Score 0 Unitless CC1CC(O)CC(C)(C)C1 3,3,5-Trimethylcyclohexanol 116-02-9|3,3,5-Trimethylcyclohexanol|1-Methyl-3-dimethylcyclohexanol-5|3-06-00-00115|3,3,5-Trimethyl-1-cyclohexanol|3,5,5-Trimethylcyclohexanol|BRN 2203314|Cyclohexanol, 3,3,5-trimethyl-|Cyclonol|dihydroisophorol|EINECS 204-122-7|homomenthol|Isophorol, dihydro-|NSC 4008|UNII-08CL3G94GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041815
ERPathway2016 ERPathway2016_1190 3,3,5-Trimethylcyclohexanol 116-02-9 DTXSID9041815 ER Pathway Model, Agonist Call Inactive Unitless CC1CC(O)CC(C)(C)C1 3,3,5-Trimethylcyclohexanol 116-02-9|3,3,5-Trimethylcyclohexanol|1-Methyl-3-dimethylcyclohexanol-5|3-06-00-00115|3,3,5-Trimethyl-1-cyclohexanol|3,5,5-Trimethylcyclohexanol|BRN 2203314|Cyclohexanol, 3,3,5-trimethyl-|Cyclonol|dihydroisophorol|EINECS 204-122-7|homomenthol|Isophorol, dihydro-|NSC 4008|UNII-08CL3G94GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041815
ERPathway2016 ERPathway2016_1190 3,3,5-Trimethylcyclohexanol 116-02-9 DTXSID9041815 ER Pathway Model, Antagonist Call Inactive Unitless CC1CC(O)CC(C)(C)C1 3,3,5-Trimethylcyclohexanol 116-02-9|3,3,5-Trimethylcyclohexanol|1-Methyl-3-dimethylcyclohexanol-5|3-06-00-00115|3,3,5-Trimethyl-1-cyclohexanol|3,5,5-Trimethylcyclohexanol|BRN 2203314|Cyclohexanol, 3,3,5-trimethyl-|Cyclonol|dihydroisophorol|EINECS 204-122-7|homomenthol|Isophorol, dihydro-|NSC 4008|UNII-08CL3G94GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041815
ARPathway2016 ARPathway2016_647 3,3,5-Trimethylcyclohexyl salicylate 118-56-9 DTXSID1026241 1.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1 3,3,5-Trimethylcyclohexyl salicylate 118-56-9|3,3,5-Trimethylcyclohexyl salicylate|3,3,5-Trimethylcyclohexylsalicylate (Homosalate)|Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester|Caswell No. 482B|Coppertone|EINECS 204-260-8|EPA Pesticide Chemical Code 076603|Filtersol ''A''|Heliopan|Homosalate|Homosalato|Homosalatum|m-Homomenthyl salicylate|NSC 164918|Salicylic acid, m-homomenthyl ester|UNII-V06SV4M95S|194304-23-9|50610-40-7|52253-93-7|8045-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026241 https://doi.org/10.22427/NTP-DATA-DTXSID1026241
ARPathway2016 ARPathway2016_647 3,3,5-Trimethylcyclohexyl salicylate 118-56-9 DTXSID1026241 1.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1 3,3,5-Trimethylcyclohexyl salicylate 118-56-9|3,3,5-Trimethylcyclohexyl salicylate|3,3,5-Trimethylcyclohexylsalicylate (Homosalate)|Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester|Caswell No. 482B|Coppertone|EINECS 204-260-8|EPA Pesticide Chemical Code 076603|Filtersol ''A''|Heliopan|Homosalate|Homosalato|Homosalatum|m-Homomenthyl salicylate|NSC 164918|Salicylic acid, m-homomenthyl ester|UNII-V06SV4M95S|194304-23-9|50610-40-7|52253-93-7|8045-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026241 https://doi.org/10.22427/NTP-DATA-DTXSID1026241
ARPathway2016 ARPathway2016_647 3,3,5-Trimethylcyclohexyl salicylate 118-56-9 DTXSID1026241 1.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1 3,3,5-Trimethylcyclohexyl salicylate 118-56-9|3,3,5-Trimethylcyclohexyl salicylate|3,3,5-Trimethylcyclohexylsalicylate (Homosalate)|Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester|Caswell No. 482B|Coppertone|EINECS 204-260-8|EPA Pesticide Chemical Code 076603|Filtersol ''A''|Heliopan|Homosalate|Homosalato|Homosalatum|m-Homomenthyl salicylate|NSC 164918|Salicylic acid, m-homomenthyl ester|UNII-V06SV4M95S|194304-23-9|50610-40-7|52253-93-7|8045-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026241 https://doi.org/10.22427/NTP-DATA-DTXSID1026241
ARPathway2016 ARPathway2016_647 3,3,5-Trimethylcyclohexyl salicylate 118-56-9 DTXSID1026241 1.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1 3,3,5-Trimethylcyclohexyl salicylate 118-56-9|3,3,5-Trimethylcyclohexyl salicylate|3,3,5-Trimethylcyclohexylsalicylate (Homosalate)|Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester|Caswell No. 482B|Coppertone|EINECS 204-260-8|EPA Pesticide Chemical Code 076603|Filtersol ''A''|Heliopan|Homosalate|Homosalato|Homosalatum|m-Homomenthyl salicylate|NSC 164918|Salicylic acid, m-homomenthyl ester|UNII-V06SV4M95S|194304-23-9|50610-40-7|52253-93-7|8045-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026241 https://doi.org/10.22427/NTP-DATA-DTXSID1026241
ERPathway2016 ERPathway2016_332 3,3,5-Trimethylcyclohexyl salicylate 118-56-9 DTXSID1026241 ER Pathway Model, Antagonist AC50 31.3030061241923 uM CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1 3,3,5-Trimethylcyclohexyl salicylate 118-56-9|3,3,5-Trimethylcyclohexyl salicylate|3,3,5-Trimethylcyclohexylsalicylate (Homosalate)|Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester|Caswell No. 482B|Coppertone|EINECS 204-260-8|EPA Pesticide Chemical Code 076603|Filtersol ''A''|Heliopan|Homosalate|Homosalato|Homosalatum|m-Homomenthyl salicylate|NSC 164918|Salicylic acid, m-homomenthyl ester|UNII-V06SV4M95S|194304-23-9|50610-40-7|52253-93-7|8045-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026241 https://doi.org/10.22427/NTP-DATA-DTXSID1026241
ERPathway2016 ERPathway2016_332 3,3,5-Trimethylcyclohexyl salicylate 118-56-9 DTXSID1026241 ER Pathway Model, Antagonist ACC 15.3394006763907 uM CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1 3,3,5-Trimethylcyclohexyl salicylate 118-56-9|3,3,5-Trimethylcyclohexyl salicylate|3,3,5-Trimethylcyclohexylsalicylate (Homosalate)|Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester|Caswell No. 482B|Coppertone|EINECS 204-260-8|EPA Pesticide Chemical Code 076603|Filtersol ''A''|Heliopan|Homosalate|Homosalato|Homosalatum|m-Homomenthyl salicylate|NSC 164918|Salicylic acid, m-homomenthyl ester|UNII-V06SV4M95S|194304-23-9|50610-40-7|52253-93-7|8045-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026241 https://doi.org/10.22427/NTP-DATA-DTXSID1026241
ERPathway2016 ERPathway2016_332 3,3,5-Trimethylcyclohexyl salicylate 118-56-9 DTXSID1026241 ER Pathway Model, Agonist Model Score 0.0217 Unitless CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1 3,3,5-Trimethylcyclohexyl salicylate 118-56-9|3,3,5-Trimethylcyclohexyl salicylate|3,3,5-Trimethylcyclohexylsalicylate (Homosalate)|Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester|Caswell No. 482B|Coppertone|EINECS 204-260-8|EPA Pesticide Chemical Code 076603|Filtersol ''A''|Heliopan|Homosalate|Homosalato|Homosalatum|m-Homomenthyl salicylate|NSC 164918|Salicylic acid, m-homomenthyl ester|UNII-V06SV4M95S|194304-23-9|50610-40-7|52253-93-7|8045-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026241 https://doi.org/10.22427/NTP-DATA-DTXSID1026241
ERPathway2016 ERPathway2016_332 3,3,5-Trimethylcyclohexyl salicylate 118-56-9 DTXSID1026241 ER Pathway Model, Antagonist Model Score 0 Unitless CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1 3,3,5-Trimethylcyclohexyl salicylate 118-56-9|3,3,5-Trimethylcyclohexyl salicylate|3,3,5-Trimethylcyclohexylsalicylate (Homosalate)|Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester|Caswell No. 482B|Coppertone|EINECS 204-260-8|EPA Pesticide Chemical Code 076603|Filtersol ''A''|Heliopan|Homosalate|Homosalato|Homosalatum|m-Homomenthyl salicylate|NSC 164918|Salicylic acid, m-homomenthyl ester|UNII-V06SV4M95S|194304-23-9|50610-40-7|52253-93-7|8045-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026241 https://doi.org/10.22427/NTP-DATA-DTXSID1026241
ERPathway2016 ERPathway2016_332 3,3,5-Trimethylcyclohexyl salicylate 118-56-9 DTXSID1026241 ER Pathway Model, Agonist Call Inactive Unitless CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1 3,3,5-Trimethylcyclohexyl salicylate 118-56-9|3,3,5-Trimethylcyclohexyl salicylate|3,3,5-Trimethylcyclohexylsalicylate (Homosalate)|Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester|Caswell No. 482B|Coppertone|EINECS 204-260-8|EPA Pesticide Chemical Code 076603|Filtersol ''A''|Heliopan|Homosalate|Homosalato|Homosalatum|m-Homomenthyl salicylate|NSC 164918|Salicylic acid, m-homomenthyl ester|UNII-V06SV4M95S|194304-23-9|50610-40-7|52253-93-7|8045-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026241 https://doi.org/10.22427/NTP-DATA-DTXSID1026241
ERPathway2016 ERPathway2016_332 3,3,5-Trimethylcyclohexyl salicylate 118-56-9 DTXSID1026241 ER Pathway Model, Antagonist Call Active Unitless CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1 3,3,5-Trimethylcyclohexyl salicylate 118-56-9|3,3,5-Trimethylcyclohexyl salicylate|3,3,5-Trimethylcyclohexylsalicylate (Homosalate)|Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester|Caswell No. 482B|Coppertone|EINECS 204-260-8|EPA Pesticide Chemical Code 076603|Filtersol ''A''|Heliopan|Homosalate|Homosalato|Homosalatum|m-Homomenthyl salicylate|NSC 164918|Salicylic acid, m-homomenthyl ester|UNII-V06SV4M95S|194304-23-9|50610-40-7|52253-93-7|8045-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026241 https://doi.org/10.22427/NTP-DATA-DTXSID1026241
ARPathway2016 ARPathway2016_35 3,3'-Dimethylbenzidine 119-93-7 DTXSID5024059 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 9.40851576025296 uM CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1 3,3'-Dimethylbenzidine 119-93-7|3,3'-Dimethylbenzidine|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-|2-Tolidine|204-358-0|3,3'-Dimethyl-4,4'-diphenyldiamine|3,3'-Dimethyl[biphenyl]-4,4'-diamine|3,3'-Dimethyl-4,4'-biphenyldiamine|3,3'-Dimethyl-4,4'-diaminobiphenyl|3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethylbenzidine|3,3'-Tolidine|4-13-00-00419|4,4'-Di-o-toluidine|4,4'-Diamino-3,3'-dimethyldiphenyl|4,4'-Diamino-3,3'-dimethyl-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethylbiphenyl|4'-Amino-3,3'-dimethyl[1,1'-biphenyl]-4-ylamine|Benzidine, 3,3'-dimethyl-|BRN 2210640|C.I. 37230|C.I. Azoic Diazo Component 113|CI Azoic diazo component 113|Diaminoditolyl|Diaminotolyl|EC No.: 204-358-0|EINECS 204-358-0|Fast Dark Blue Base R|o-Tolidine|o,o'-Tolidine|RCRA waste number U095|Tolidine|UNII-63HLO2IV6K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024059 https://doi.org/10.22427/NTP-DATA-DTXSID5024059
ARPathway2016 ARPathway2016_35 3,3'-Dimethylbenzidine 119-93-7 DTXSID5024059 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 9.62743417559625 uM CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1 3,3'-Dimethylbenzidine 119-93-7|3,3'-Dimethylbenzidine|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-|2-Tolidine|204-358-0|3,3'-Dimethyl-4,4'-diphenyldiamine|3,3'-Dimethyl[biphenyl]-4,4'-diamine|3,3'-Dimethyl-4,4'-biphenyldiamine|3,3'-Dimethyl-4,4'-diaminobiphenyl|3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethylbenzidine|3,3'-Tolidine|4-13-00-00419|4,4'-Di-o-toluidine|4,4'-Diamino-3,3'-dimethyldiphenyl|4,4'-Diamino-3,3'-dimethyl-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethylbiphenyl|4'-Amino-3,3'-dimethyl[1,1'-biphenyl]-4-ylamine|Benzidine, 3,3'-dimethyl-|BRN 2210640|C.I. 37230|C.I. Azoic Diazo Component 113|CI Azoic diazo component 113|Diaminoditolyl|Diaminotolyl|EC No.: 204-358-0|EINECS 204-358-0|Fast Dark Blue Base R|o-Tolidine|o,o'-Tolidine|RCRA waste number U095|Tolidine|UNII-63HLO2IV6K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024059 https://doi.org/10.22427/NTP-DATA-DTXSID5024059
ARPathway2016 ARPathway2016_35 3,3'-Dimethylbenzidine 119-93-7 DTXSID5024059 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.107 Unitless CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1 3,3'-Dimethylbenzidine 119-93-7|3,3'-Dimethylbenzidine|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-|2-Tolidine|204-358-0|3,3'-Dimethyl-4,4'-diphenyldiamine|3,3'-Dimethyl[biphenyl]-4,4'-diamine|3,3'-Dimethyl-4,4'-biphenyldiamine|3,3'-Dimethyl-4,4'-diaminobiphenyl|3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethylbenzidine|3,3'-Tolidine|4-13-00-00419|4,4'-Di-o-toluidine|4,4'-Diamino-3,3'-dimethyldiphenyl|4,4'-Diamino-3,3'-dimethyl-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethylbiphenyl|4'-Amino-3,3'-dimethyl[1,1'-biphenyl]-4-ylamine|Benzidine, 3,3'-dimethyl-|BRN 2210640|C.I. 37230|C.I. Azoic Diazo Component 113|CI Azoic diazo component 113|Diaminoditolyl|Diaminotolyl|EC No.: 204-358-0|EINECS 204-358-0|Fast Dark Blue Base R|o-Tolidine|o,o'-Tolidine|RCRA waste number U095|Tolidine|UNII-63HLO2IV6K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024059 https://doi.org/10.22427/NTP-DATA-DTXSID5024059
ARPathway2016 ARPathway2016_35 3,3'-Dimethylbenzidine 119-93-7 DTXSID5024059 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1 3,3'-Dimethylbenzidine 119-93-7|3,3'-Dimethylbenzidine|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-|2-Tolidine|204-358-0|3,3'-Dimethyl-4,4'-diphenyldiamine|3,3'-Dimethyl[biphenyl]-4,4'-diamine|3,3'-Dimethyl-4,4'-biphenyldiamine|3,3'-Dimethyl-4,4'-diaminobiphenyl|3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethylbenzidine|3,3'-Tolidine|4-13-00-00419|4,4'-Di-o-toluidine|4,4'-Diamino-3,3'-dimethyldiphenyl|4,4'-Diamino-3,3'-dimethyl-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethylbiphenyl|4'-Amino-3,3'-dimethyl[1,1'-biphenyl]-4-ylamine|Benzidine, 3,3'-dimethyl-|BRN 2210640|C.I. 37230|C.I. Azoic Diazo Component 113|CI Azoic diazo component 113|Diaminoditolyl|Diaminotolyl|EC No.: 204-358-0|EINECS 204-358-0|Fast Dark Blue Base R|o-Tolidine|o,o'-Tolidine|RCRA waste number U095|Tolidine|UNII-63HLO2IV6K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024059 https://doi.org/10.22427/NTP-DATA-DTXSID5024059
ARPathway2016 ARPathway2016_35 3,3'-Dimethylbenzidine 119-93-7 DTXSID5024059 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1 3,3'-Dimethylbenzidine 119-93-7|3,3'-Dimethylbenzidine|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-|2-Tolidine|204-358-0|3,3'-Dimethyl-4,4'-diphenyldiamine|3,3'-Dimethyl[biphenyl]-4,4'-diamine|3,3'-Dimethyl-4,4'-biphenyldiamine|3,3'-Dimethyl-4,4'-diaminobiphenyl|3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethylbenzidine|3,3'-Tolidine|4-13-00-00419|4,4'-Di-o-toluidine|4,4'-Diamino-3,3'-dimethyldiphenyl|4,4'-Diamino-3,3'-dimethyl-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethylbiphenyl|4'-Amino-3,3'-dimethyl[1,1'-biphenyl]-4-ylamine|Benzidine, 3,3'-dimethyl-|BRN 2210640|C.I. 37230|C.I. Azoic Diazo Component 113|CI Azoic diazo component 113|Diaminoditolyl|Diaminotolyl|EC No.: 204-358-0|EINECS 204-358-0|Fast Dark Blue Base R|o-Tolidine|o,o'-Tolidine|RCRA waste number U095|Tolidine|UNII-63HLO2IV6K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024059 https://doi.org/10.22427/NTP-DATA-DTXSID5024059
ARPathway2016 ARPathway2016_35 3,3'-Dimethylbenzidine 119-93-7 DTXSID5024059 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1 3,3'-Dimethylbenzidine 119-93-7|3,3'-Dimethylbenzidine|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-|2-Tolidine|204-358-0|3,3'-Dimethyl-4,4'-diphenyldiamine|3,3'-Dimethyl[biphenyl]-4,4'-diamine|3,3'-Dimethyl-4,4'-biphenyldiamine|3,3'-Dimethyl-4,4'-diaminobiphenyl|3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethylbenzidine|3,3'-Tolidine|4-13-00-00419|4,4'-Di-o-toluidine|4,4'-Diamino-3,3'-dimethyldiphenyl|4,4'-Diamino-3,3'-dimethyl-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethylbiphenyl|4'-Amino-3,3'-dimethyl[1,1'-biphenyl]-4-ylamine|Benzidine, 3,3'-dimethyl-|BRN 2210640|C.I. 37230|C.I. Azoic Diazo Component 113|CI Azoic diazo component 113|Diaminoditolyl|Diaminotolyl|EC No.: 204-358-0|EINECS 204-358-0|Fast Dark Blue Base R|o-Tolidine|o,o'-Tolidine|RCRA waste number U095|Tolidine|UNII-63HLO2IV6K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024059 https://doi.org/10.22427/NTP-DATA-DTXSID5024059
ERPathway2016 ERPathway2016_221 3,3'-Dimethylbenzidine 119-93-7 DTXSID5024059 Agonist ER Pathway Model, Antagonist AC50 38.0265862671836 uM CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1 3,3'-Dimethylbenzidine 119-93-7|3,3'-Dimethylbenzidine|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-|2-Tolidine|204-358-0|3,3'-Dimethyl-4,4'-diphenyldiamine|3,3'-Dimethyl[biphenyl]-4,4'-diamine|3,3'-Dimethyl-4,4'-biphenyldiamine|3,3'-Dimethyl-4,4'-diaminobiphenyl|3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethylbenzidine|3,3'-Tolidine|4-13-00-00419|4,4'-Di-o-toluidine|4,4'-Diamino-3,3'-dimethyldiphenyl|4,4'-Diamino-3,3'-dimethyl-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethylbiphenyl|4'-Amino-3,3'-dimethyl[1,1'-biphenyl]-4-ylamine|Benzidine, 3,3'-dimethyl-|BRN 2210640|C.I. 37230|C.I. Azoic Diazo Component 113|CI Azoic diazo component 113|Diaminoditolyl|Diaminotolyl|EC No.: 204-358-0|EINECS 204-358-0|Fast Dark Blue Base R|o-Tolidine|o,o'-Tolidine|RCRA waste number U095|Tolidine|UNII-63HLO2IV6K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024059 https://doi.org/10.22427/NTP-DATA-DTXSID5024059
ERPathway2016 ERPathway2016_221 3,3'-Dimethylbenzidine 119-93-7 DTXSID5024059 Agonist ER Pathway Model, Antagonist ACC 39.3346827975444 uM CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1 3,3'-Dimethylbenzidine 119-93-7|3,3'-Dimethylbenzidine|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-|2-Tolidine|204-358-0|3,3'-Dimethyl-4,4'-diphenyldiamine|3,3'-Dimethyl[biphenyl]-4,4'-diamine|3,3'-Dimethyl-4,4'-biphenyldiamine|3,3'-Dimethyl-4,4'-diaminobiphenyl|3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethylbenzidine|3,3'-Tolidine|4-13-00-00419|4,4'-Di-o-toluidine|4,4'-Diamino-3,3'-dimethyldiphenyl|4,4'-Diamino-3,3'-dimethyl-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethylbiphenyl|4'-Amino-3,3'-dimethyl[1,1'-biphenyl]-4-ylamine|Benzidine, 3,3'-dimethyl-|BRN 2210640|C.I. 37230|C.I. Azoic Diazo Component 113|CI Azoic diazo component 113|Diaminoditolyl|Diaminotolyl|EC No.: 204-358-0|EINECS 204-358-0|Fast Dark Blue Base R|o-Tolidine|o,o'-Tolidine|RCRA waste number U095|Tolidine|UNII-63HLO2IV6K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024059 https://doi.org/10.22427/NTP-DATA-DTXSID5024059
ERPathway2016 ERPathway2016_221 3,3'-Dimethylbenzidine 119-93-7 DTXSID5024059 Agonist ER Pathway Model, Agonist Model Score 0.139 Unitless CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1 3,3'-Dimethylbenzidine 119-93-7|3,3'-Dimethylbenzidine|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-|2-Tolidine|204-358-0|3,3'-Dimethyl-4,4'-diphenyldiamine|3,3'-Dimethyl[biphenyl]-4,4'-diamine|3,3'-Dimethyl-4,4'-biphenyldiamine|3,3'-Dimethyl-4,4'-diaminobiphenyl|3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethylbenzidine|3,3'-Tolidine|4-13-00-00419|4,4'-Di-o-toluidine|4,4'-Diamino-3,3'-dimethyldiphenyl|4,4'-Diamino-3,3'-dimethyl-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethylbiphenyl|4'-Amino-3,3'-dimethyl[1,1'-biphenyl]-4-ylamine|Benzidine, 3,3'-dimethyl-|BRN 2210640|C.I. 37230|C.I. Azoic Diazo Component 113|CI Azoic diazo component 113|Diaminoditolyl|Diaminotolyl|EC No.: 204-358-0|EINECS 204-358-0|Fast Dark Blue Base R|o-Tolidine|o,o'-Tolidine|RCRA waste number U095|Tolidine|UNII-63HLO2IV6K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024059 https://doi.org/10.22427/NTP-DATA-DTXSID5024059
ERPathway2016 ERPathway2016_221 3,3'-Dimethylbenzidine 119-93-7 DTXSID5024059 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1 3,3'-Dimethylbenzidine 119-93-7|3,3'-Dimethylbenzidine|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-|2-Tolidine|204-358-0|3,3'-Dimethyl-4,4'-diphenyldiamine|3,3'-Dimethyl[biphenyl]-4,4'-diamine|3,3'-Dimethyl-4,4'-biphenyldiamine|3,3'-Dimethyl-4,4'-diaminobiphenyl|3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethylbenzidine|3,3'-Tolidine|4-13-00-00419|4,4'-Di-o-toluidine|4,4'-Diamino-3,3'-dimethyldiphenyl|4,4'-Diamino-3,3'-dimethyl-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethylbiphenyl|4'-Amino-3,3'-dimethyl[1,1'-biphenyl]-4-ylamine|Benzidine, 3,3'-dimethyl-|BRN 2210640|C.I. 37230|C.I. Azoic Diazo Component 113|CI Azoic diazo component 113|Diaminoditolyl|Diaminotolyl|EC No.: 204-358-0|EINECS 204-358-0|Fast Dark Blue Base R|o-Tolidine|o,o'-Tolidine|RCRA waste number U095|Tolidine|UNII-63HLO2IV6K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024059 https://doi.org/10.22427/NTP-DATA-DTXSID5024059
ERPathway2016 ERPathway2016_221 3,3'-Dimethylbenzidine 119-93-7 DTXSID5024059 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1 3,3'-Dimethylbenzidine 119-93-7|3,3'-Dimethylbenzidine|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-|2-Tolidine|204-358-0|3,3'-Dimethyl-4,4'-diphenyldiamine|3,3'-Dimethyl[biphenyl]-4,4'-diamine|3,3'-Dimethyl-4,4'-biphenyldiamine|3,3'-Dimethyl-4,4'-diaminobiphenyl|3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethylbenzidine|3,3'-Tolidine|4-13-00-00419|4,4'-Di-o-toluidine|4,4'-Diamino-3,3'-dimethyldiphenyl|4,4'-Diamino-3,3'-dimethyl-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethylbiphenyl|4'-Amino-3,3'-dimethyl[1,1'-biphenyl]-4-ylamine|Benzidine, 3,3'-dimethyl-|BRN 2210640|C.I. 37230|C.I. Azoic Diazo Component 113|CI Azoic diazo component 113|Diaminoditolyl|Diaminotolyl|EC No.: 204-358-0|EINECS 204-358-0|Fast Dark Blue Base R|o-Tolidine|o,o'-Tolidine|RCRA waste number U095|Tolidine|UNII-63HLO2IV6K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024059 https://doi.org/10.22427/NTP-DATA-DTXSID5024059
ERPathway2016 ERPathway2016_221 3,3'-Dimethylbenzidine 119-93-7 DTXSID5024059 Agonist ER Pathway Model, Antagonist Call Active Unitless CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1 3,3'-Dimethylbenzidine 119-93-7|3,3'-Dimethylbenzidine|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-|2-Tolidine|204-358-0|3,3'-Dimethyl-4,4'-diphenyldiamine|3,3'-Dimethyl[biphenyl]-4,4'-diamine|3,3'-Dimethyl-4,4'-biphenyldiamine|3,3'-Dimethyl-4,4'-diaminobiphenyl|3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethylbenzidine|3,3'-Tolidine|4-13-00-00419|4,4'-Di-o-toluidine|4,4'-Diamino-3,3'-dimethyldiphenyl|4,4'-Diamino-3,3'-dimethyl-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethylbiphenyl|4'-Amino-3,3'-dimethyl[1,1'-biphenyl]-4-ylamine|Benzidine, 3,3'-dimethyl-|BRN 2210640|C.I. 37230|C.I. Azoic Diazo Component 113|CI Azoic diazo component 113|Diaminoditolyl|Diaminotolyl|EC No.: 204-358-0|EINECS 204-358-0|Fast Dark Blue Base R|o-Tolidine|o,o'-Tolidine|RCRA waste number U095|Tolidine|UNII-63HLO2IV6K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024059 https://doi.org/10.22427/NTP-DATA-DTXSID5024059
ARPathway2016 ARPathway2016_234 3,3'-Dimethylbenzidine dihydrochloride 612-82-8 DTXSID6020511 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist AC50 2.35731035924884 uM Cl.Cl.CC1=C(N)C=CC(=C1)C1=CC(C)=C(N)C=C1 3,3'-Dimethylbenzidine dihydrochloride 612-82-8|3,3'-Dimethylbenzidine dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-, hydrochloride (1:2)|2,3'-Dimethylbiphenyl-4,4'-diamine dihydrochloride|4,4'-Diamino-3,3'-dimethylbiphenyl dihydrochloride|EINECS 210-322-5|NSC 11223|o-Tolidine dihydrochloride|UNII-5MSK350KD8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020511 https://doi.org/10.22427/NTP-DATA-DTXSID6020511
ARPathway2016 ARPathway2016_234 3,3'-Dimethylbenzidine dihydrochloride 612-82-8 DTXSID6020511 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist ACC 2.07809462227704 uM Cl.Cl.CC1=C(N)C=CC(=C1)C1=CC(C)=C(N)C=C1 3,3'-Dimethylbenzidine dihydrochloride 612-82-8|3,3'-Dimethylbenzidine dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-, hydrochloride (1:2)|2,3'-Dimethylbiphenyl-4,4'-diamine dihydrochloride|4,4'-Diamino-3,3'-dimethylbiphenyl dihydrochloride|EINECS 210-322-5|NSC 11223|o-Tolidine dihydrochloride|UNII-5MSK350KD8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020511 https://doi.org/10.22427/NTP-DATA-DTXSID6020511
ARPathway2016 ARPathway2016_234 3,3'-Dimethylbenzidine dihydrochloride 612-82-8 DTXSID6020511 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Antagonist Model Score 0.154 Unitless Cl.Cl.CC1=C(N)C=CC(=C1)C1=CC(C)=C(N)C=C1 3,3'-Dimethylbenzidine dihydrochloride 612-82-8|3,3'-Dimethylbenzidine dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-, hydrochloride (1:2)|2,3'-Dimethylbiphenyl-4,4'-diamine dihydrochloride|4,4'-Diamino-3,3'-dimethylbiphenyl dihydrochloride|EINECS 210-322-5|NSC 11223|o-Tolidine dihydrochloride|UNII-5MSK350KD8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020511 https://doi.org/10.22427/NTP-DATA-DTXSID6020511
ARPathway2016 ARPathway2016_234 3,3'-Dimethylbenzidine dihydrochloride 612-82-8 DTXSID6020511 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless Cl.Cl.CC1=C(N)C=CC(=C1)C1=CC(C)=C(N)C=C1 3,3'-Dimethylbenzidine dihydrochloride 612-82-8|3,3'-Dimethylbenzidine dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-, hydrochloride (1:2)|2,3'-Dimethylbiphenyl-4,4'-diamine dihydrochloride|4,4'-Diamino-3,3'-dimethylbiphenyl dihydrochloride|EINECS 210-322-5|NSC 11223|o-Tolidine dihydrochloride|UNII-5MSK350KD8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020511 https://doi.org/10.22427/NTP-DATA-DTXSID6020511
ARPathway2016 ARPathway2016_234 3,3'-Dimethylbenzidine dihydrochloride 612-82-8 DTXSID6020511 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Cl.Cl.CC1=C(N)C=CC(=C1)C1=CC(C)=C(N)C=C1 3,3'-Dimethylbenzidine dihydrochloride 612-82-8|3,3'-Dimethylbenzidine dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-, hydrochloride (1:2)|2,3'-Dimethylbiphenyl-4,4'-diamine dihydrochloride|4,4'-Diamino-3,3'-dimethylbiphenyl dihydrochloride|EINECS 210-322-5|NSC 11223|o-Tolidine dihydrochloride|UNII-5MSK350KD8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020511 https://doi.org/10.22427/NTP-DATA-DTXSID6020511
ARPathway2016 ARPathway2016_234 3,3'-Dimethylbenzidine dihydrochloride 612-82-8 DTXSID6020511 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Cl.Cl.CC1=C(N)C=CC(=C1)C1=CC(C)=C(N)C=C1 3,3'-Dimethylbenzidine dihydrochloride 612-82-8|3,3'-Dimethylbenzidine dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-, hydrochloride (1:2)|2,3'-Dimethylbiphenyl-4,4'-diamine dihydrochloride|4,4'-Diamino-3,3'-dimethylbiphenyl dihydrochloride|EINECS 210-322-5|NSC 11223|o-Tolidine dihydrochloride|UNII-5MSK350KD8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020511 https://doi.org/10.22427/NTP-DATA-DTXSID6020511
ERPathway2016 ERPathway2016_217 3,3'-Dimethylbenzidine dihydrochloride 612-82-8 DTXSID6020511 Agonist ER Pathway Model, Antagonist AC50 0.0439963039398509 uM Cl.Cl.CC1=C(N)C=CC(=C1)C1=CC(C)=C(N)C=C1 3,3'-Dimethylbenzidine dihydrochloride 612-82-8|3,3'-Dimethylbenzidine dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-, hydrochloride (1:2)|2,3'-Dimethylbiphenyl-4,4'-diamine dihydrochloride|4,4'-Diamino-3,3'-dimethylbiphenyl dihydrochloride|EINECS 210-322-5|NSC 11223|o-Tolidine dihydrochloride|UNII-5MSK350KD8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020511 https://doi.org/10.22427/NTP-DATA-DTXSID6020511
ERPathway2016 ERPathway2016_217 3,3'-Dimethylbenzidine dihydrochloride 612-82-8 DTXSID6020511 Agonist ER Pathway Model, Antagonist ACC 0.0101360134854798 uM Cl.Cl.CC1=C(N)C=CC(=C1)C1=CC(C)=C(N)C=C1 3,3'-Dimethylbenzidine dihydrochloride 612-82-8|3,3'-Dimethylbenzidine dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-, hydrochloride (1:2)|2,3'-Dimethylbiphenyl-4,4'-diamine dihydrochloride|4,4'-Diamino-3,3'-dimethylbiphenyl dihydrochloride|EINECS 210-322-5|NSC 11223|o-Tolidine dihydrochloride|UNII-5MSK350KD8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020511 https://doi.org/10.22427/NTP-DATA-DTXSID6020511
ERPathway2016 ERPathway2016_217 3,3'-Dimethylbenzidine dihydrochloride 612-82-8 DTXSID6020511 Agonist ER Pathway Model, Agonist Model Score 0.143 Unitless Cl.Cl.CC1=C(N)C=CC(=C1)C1=CC(C)=C(N)C=C1 3,3'-Dimethylbenzidine dihydrochloride 612-82-8|3,3'-Dimethylbenzidine dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-, hydrochloride (1:2)|2,3'-Dimethylbiphenyl-4,4'-diamine dihydrochloride|4,4'-Diamino-3,3'-dimethylbiphenyl dihydrochloride|EINECS 210-322-5|NSC 11223|o-Tolidine dihydrochloride|UNII-5MSK350KD8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020511 https://doi.org/10.22427/NTP-DATA-DTXSID6020511
ERPathway2016 ERPathway2016_217 3,3'-Dimethylbenzidine dihydrochloride 612-82-8 DTXSID6020511 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless Cl.Cl.CC1=C(N)C=CC(=C1)C1=CC(C)=C(N)C=C1 3,3'-Dimethylbenzidine dihydrochloride 612-82-8|3,3'-Dimethylbenzidine dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-, hydrochloride (1:2)|2,3'-Dimethylbiphenyl-4,4'-diamine dihydrochloride|4,4'-Diamino-3,3'-dimethylbiphenyl dihydrochloride|EINECS 210-322-5|NSC 11223|o-Tolidine dihydrochloride|UNII-5MSK350KD8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020511 https://doi.org/10.22427/NTP-DATA-DTXSID6020511
ERPathway2016 ERPathway2016_217 3,3'-Dimethylbenzidine dihydrochloride 612-82-8 DTXSID6020511 Agonist ER Pathway Model, Agonist Call Inactive Unitless Cl.Cl.CC1=C(N)C=CC(=C1)C1=CC(C)=C(N)C=C1 3,3'-Dimethylbenzidine dihydrochloride 612-82-8|3,3'-Dimethylbenzidine dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-, hydrochloride (1:2)|2,3'-Dimethylbiphenyl-4,4'-diamine dihydrochloride|4,4'-Diamino-3,3'-dimethylbiphenyl dihydrochloride|EINECS 210-322-5|NSC 11223|o-Tolidine dihydrochloride|UNII-5MSK350KD8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020511 https://doi.org/10.22427/NTP-DATA-DTXSID6020511
ERPathway2016 ERPathway2016_217 3,3'-Dimethylbenzidine dihydrochloride 612-82-8 DTXSID6020511 Agonist ER Pathway Model, Antagonist Call Active Unitless Cl.Cl.CC1=C(N)C=CC(=C1)C1=CC(C)=C(N)C=C1 3,3'-Dimethylbenzidine dihydrochloride 612-82-8|3,3'-Dimethylbenzidine dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-, hydrochloride (1:2)|2,3'-Dimethylbiphenyl-4,4'-diamine dihydrochloride|4,4'-Diamino-3,3'-dimethylbiphenyl dihydrochloride|EINECS 210-322-5|NSC 11223|o-Tolidine dihydrochloride|UNII-5MSK350KD8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020511 https://doi.org/10.22427/NTP-DATA-DTXSID6020511
ARPathway2016 ARPathway2016_1239 3,4-Diaminotoluene 496-72-0 DTXSID9024930 0.0 A9 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(N)C(N)=C1 3,4-Diaminotoluene 496-72-0|3,4-Diaminotoluene|1,2-Benzenediamine, 4-methyl-|1,2-Diamino-4-methylbenzene|2-Amino-4-methylaniline|2-Amino-5-methylaniline|3,4-Diamino-1-methylbenzene|3,4-Toluylenediamine|3,4-Tolylenediamine|4-13-00-00260|4-Methyl-1,2-benzenediamine|4-Methyl-1,2-diaminobenzene|4-Methyl-1,2-phenylenediamine|4-Methyl-2-aminoaniline|4-Methyl-o-phenylendiamin|4-Methyl-o-phenylenediamine|4-metil-o-fenilendiamina|BRN 0507965|EINECS 207-826-2|NSC 1495|PHENYLENE-1,2-DIAMINE, 4-METHYL-|Toluene-3,4-diamine|UNII-OE7HJ54P5C https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024930 https://doi.org/10.22427/NTP-DATA-DTXSID9024930
ARPathway2016 ARPathway2016_1239 3,4-Diaminotoluene 496-72-0 DTXSID9024930 0.0 A9 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(N)C(N)=C1 3,4-Diaminotoluene 496-72-0|3,4-Diaminotoluene|1,2-Benzenediamine, 4-methyl-|1,2-Diamino-4-methylbenzene|2-Amino-4-methylaniline|2-Amino-5-methylaniline|3,4-Diamino-1-methylbenzene|3,4-Toluylenediamine|3,4-Tolylenediamine|4-13-00-00260|4-Methyl-1,2-benzenediamine|4-Methyl-1,2-diaminobenzene|4-Methyl-1,2-phenylenediamine|4-Methyl-2-aminoaniline|4-Methyl-o-phenylendiamin|4-Methyl-o-phenylenediamine|4-metil-o-fenilendiamina|BRN 0507965|EINECS 207-826-2|NSC 1495|PHENYLENE-1,2-DIAMINE, 4-METHYL-|Toluene-3,4-diamine|UNII-OE7HJ54P5C https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024930 https://doi.org/10.22427/NTP-DATA-DTXSID9024930
ARPathway2016 ARPathway2016_1239 3,4-Diaminotoluene 496-72-0 DTXSID9024930 0.0 A9 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(N)C(N)=C1 3,4-Diaminotoluene 496-72-0|3,4-Diaminotoluene|1,2-Benzenediamine, 4-methyl-|1,2-Diamino-4-methylbenzene|2-Amino-4-methylaniline|2-Amino-5-methylaniline|3,4-Diamino-1-methylbenzene|3,4-Toluylenediamine|3,4-Tolylenediamine|4-13-00-00260|4-Methyl-1,2-benzenediamine|4-Methyl-1,2-diaminobenzene|4-Methyl-1,2-phenylenediamine|4-Methyl-2-aminoaniline|4-Methyl-o-phenylendiamin|4-Methyl-o-phenylenediamine|4-metil-o-fenilendiamina|BRN 0507965|EINECS 207-826-2|NSC 1495|PHENYLENE-1,2-DIAMINE, 4-METHYL-|Toluene-3,4-diamine|UNII-OE7HJ54P5C https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024930 https://doi.org/10.22427/NTP-DATA-DTXSID9024930
ARPathway2016 ARPathway2016_1239 3,4-Diaminotoluene 496-72-0 DTXSID9024930 0.0 A9 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(N)C(N)=C1 3,4-Diaminotoluene 496-72-0|3,4-Diaminotoluene|1,2-Benzenediamine, 4-methyl-|1,2-Diamino-4-methylbenzene|2-Amino-4-methylaniline|2-Amino-5-methylaniline|3,4-Diamino-1-methylbenzene|3,4-Toluylenediamine|3,4-Tolylenediamine|4-13-00-00260|4-Methyl-1,2-benzenediamine|4-Methyl-1,2-diaminobenzene|4-Methyl-1,2-phenylenediamine|4-Methyl-2-aminoaniline|4-Methyl-o-phenylendiamin|4-Methyl-o-phenylenediamine|4-metil-o-fenilendiamina|BRN 0507965|EINECS 207-826-2|NSC 1495|PHENYLENE-1,2-DIAMINE, 4-METHYL-|Toluene-3,4-diamine|UNII-OE7HJ54P5C https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024930 https://doi.org/10.22427/NTP-DATA-DTXSID9024930
ERPathway2016 ERPathway2016_536 3,4-Diaminotoluene 496-72-0 DTXSID9024930 A15 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(N)C(N)=C1 3,4-Diaminotoluene 496-72-0|3,4-Diaminotoluene|1,2-Benzenediamine, 4-methyl-|1,2-Diamino-4-methylbenzene|2-Amino-4-methylaniline|2-Amino-5-methylaniline|3,4-Diamino-1-methylbenzene|3,4-Toluylenediamine|3,4-Tolylenediamine|4-13-00-00260|4-Methyl-1,2-benzenediamine|4-Methyl-1,2-diaminobenzene|4-Methyl-1,2-phenylenediamine|4-Methyl-2-aminoaniline|4-Methyl-o-phenylendiamin|4-Methyl-o-phenylenediamine|4-metil-o-fenilendiamina|BRN 0507965|EINECS 207-826-2|NSC 1495|PHENYLENE-1,2-DIAMINE, 4-METHYL-|Toluene-3,4-diamine|UNII-OE7HJ54P5C https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024930 https://doi.org/10.22427/NTP-DATA-DTXSID9024930
ERPathway2016 ERPathway2016_536 3,4-Diaminotoluene 496-72-0 DTXSID9024930 A15 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(N)C(N)=C1 3,4-Diaminotoluene 496-72-0|3,4-Diaminotoluene|1,2-Benzenediamine, 4-methyl-|1,2-Diamino-4-methylbenzene|2-Amino-4-methylaniline|2-Amino-5-methylaniline|3,4-Diamino-1-methylbenzene|3,4-Toluylenediamine|3,4-Tolylenediamine|4-13-00-00260|4-Methyl-1,2-benzenediamine|4-Methyl-1,2-diaminobenzene|4-Methyl-1,2-phenylenediamine|4-Methyl-2-aminoaniline|4-Methyl-o-phenylendiamin|4-Methyl-o-phenylenediamine|4-metil-o-fenilendiamina|BRN 0507965|EINECS 207-826-2|NSC 1495|PHENYLENE-1,2-DIAMINE, 4-METHYL-|Toluene-3,4-diamine|UNII-OE7HJ54P5C https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024930 https://doi.org/10.22427/NTP-DATA-DTXSID9024930
ERPathway2016 ERPathway2016_536 3,4-Diaminotoluene 496-72-0 DTXSID9024930 A15 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(N)C(N)=C1 3,4-Diaminotoluene 496-72-0|3,4-Diaminotoluene|1,2-Benzenediamine, 4-methyl-|1,2-Diamino-4-methylbenzene|2-Amino-4-methylaniline|2-Amino-5-methylaniline|3,4-Diamino-1-methylbenzene|3,4-Toluylenediamine|3,4-Tolylenediamine|4-13-00-00260|4-Methyl-1,2-benzenediamine|4-Methyl-1,2-diaminobenzene|4-Methyl-1,2-phenylenediamine|4-Methyl-2-aminoaniline|4-Methyl-o-phenylendiamin|4-Methyl-o-phenylenediamine|4-metil-o-fenilendiamina|BRN 0507965|EINECS 207-826-2|NSC 1495|PHENYLENE-1,2-DIAMINE, 4-METHYL-|Toluene-3,4-diamine|UNII-OE7HJ54P5C https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024930 https://doi.org/10.22427/NTP-DATA-DTXSID9024930
ERPathway2016 ERPathway2016_536 3,4-Diaminotoluene 496-72-0 DTXSID9024930 A15 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(N)C(N)=C1 3,4-Diaminotoluene 496-72-0|3,4-Diaminotoluene|1,2-Benzenediamine, 4-methyl-|1,2-Diamino-4-methylbenzene|2-Amino-4-methylaniline|2-Amino-5-methylaniline|3,4-Diamino-1-methylbenzene|3,4-Toluylenediamine|3,4-Tolylenediamine|4-13-00-00260|4-Methyl-1,2-benzenediamine|4-Methyl-1,2-diaminobenzene|4-Methyl-1,2-phenylenediamine|4-Methyl-2-aminoaniline|4-Methyl-o-phenylendiamin|4-Methyl-o-phenylenediamine|4-metil-o-fenilendiamina|BRN 0507965|EINECS 207-826-2|NSC 1495|PHENYLENE-1,2-DIAMINE, 4-METHYL-|Toluene-3,4-diamine|UNII-OE7HJ54P5C https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024930 https://doi.org/10.22427/NTP-DATA-DTXSID9024930
ARPathway2016 ARPathway2016_1534 3,4-Dichloro-1-butene 760-23-6 DTXSID8022113 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClCC(Cl)C=C 3,4-Dichloro-1-butene 760-23-6|3,4-Dichloro-1-butene|1-Butene, 3,4-dichloro-|1,2-Dichloro-3-butene|4-01-00-00772|BRN 1739135|EINECS 212-079-0|64037-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022113
ARPathway2016 ARPathway2016_1534 3,4-Dichloro-1-butene 760-23-6 DTXSID8022113 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClCC(Cl)C=C 3,4-Dichloro-1-butene 760-23-6|3,4-Dichloro-1-butene|1-Butene, 3,4-dichloro-|1,2-Dichloro-3-butene|4-01-00-00772|BRN 1739135|EINECS 212-079-0|64037-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022113
ARPathway2016 ARPathway2016_1534 3,4-Dichloro-1-butene 760-23-6 DTXSID8022113 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClCC(Cl)C=C 3,4-Dichloro-1-butene 760-23-6|3,4-Dichloro-1-butene|1-Butene, 3,4-dichloro-|1,2-Dichloro-3-butene|4-01-00-00772|BRN 1739135|EINECS 212-079-0|64037-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022113
ARPathway2016 ARPathway2016_1534 3,4-Dichloro-1-butene 760-23-6 DTXSID8022113 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClCC(Cl)C=C 3,4-Dichloro-1-butene 760-23-6|3,4-Dichloro-1-butene|1-Butene, 3,4-dichloro-|1,2-Dichloro-3-butene|4-01-00-00772|BRN 1739135|EINECS 212-079-0|64037-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022113
ERPathway2016 ERPathway2016_1642 3,4-Dichloro-1-butene 760-23-6 DTXSID8022113 ER Pathway Model, Agonist Model Score 0 Unitless ClCC(Cl)C=C 3,4-Dichloro-1-butene 760-23-6|3,4-Dichloro-1-butene|1-Butene, 3,4-dichloro-|1,2-Dichloro-3-butene|4-01-00-00772|BRN 1739135|EINECS 212-079-0|64037-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022113
ERPathway2016 ERPathway2016_1642 3,4-Dichloro-1-butene 760-23-6 DTXSID8022113 ER Pathway Model, Antagonist Model Score 0 Unitless ClCC(Cl)C=C 3,4-Dichloro-1-butene 760-23-6|3,4-Dichloro-1-butene|1-Butene, 3,4-dichloro-|1,2-Dichloro-3-butene|4-01-00-00772|BRN 1739135|EINECS 212-079-0|64037-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022113
ERPathway2016 ERPathway2016_1642 3,4-Dichloro-1-butene 760-23-6 DTXSID8022113 ER Pathway Model, Agonist Call Inactive Unitless ClCC(Cl)C=C 3,4-Dichloro-1-butene 760-23-6|3,4-Dichloro-1-butene|1-Butene, 3,4-dichloro-|1,2-Dichloro-3-butene|4-01-00-00772|BRN 1739135|EINECS 212-079-0|64037-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022113
ERPathway2016 ERPathway2016_1642 3,4-Dichloro-1-butene 760-23-6 DTXSID8022113 ER Pathway Model, Antagonist Call Inactive Unitless ClCC(Cl)C=C 3,4-Dichloro-1-butene 760-23-6|3,4-Dichloro-1-butene|1-Butene, 3,4-dichloro-|1,2-Dichloro-3-butene|4-01-00-00772|BRN 1739135|EINECS 212-079-0|64037-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022113
ARPathway2016 ARPathway2016_1769 3,4-Dichloroaniline 95-76-1 DTXSID7021815 1.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC(Cl)=C(Cl)C=C1 3,4-Dichloroaniline 95-76-1|3,4-Dichloroaniline|1-Amino-3,4-dichlorobenzene|3,4-DCA|3,4-Dichloranilin|3,4-Dichloraniline|3,4-Dichlorobenzenamine|3,4-Dichlorobenzeneamine|3,4-Dichlorophenylamine|3,4-dicloroanilina|4-Amino-1,2-dichlorobenzene|4,5-Dichloroaniline|ANILINE, 3,4-DICHLORO-|Benzenamine, 3,4-dichloro-|BRN 0636837|DCA (amine)|EINECS 202-448-4|m,p-Dichloroaniline|m.p-Dichloroaniline|NSC 247|UNII-20KR9WJ4NS https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021815 https://doi.org/10.22427/NTP-DATA-DTXSID7021815
ARPathway2016 ARPathway2016_1769 3,4-Dichloroaniline 95-76-1 DTXSID7021815 1.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=CC(Cl)=C(Cl)C=C1 3,4-Dichloroaniline 95-76-1|3,4-Dichloroaniline|1-Amino-3,4-dichlorobenzene|3,4-DCA|3,4-Dichloranilin|3,4-Dichloraniline|3,4-Dichlorobenzenamine|3,4-Dichlorobenzeneamine|3,4-Dichlorophenylamine|3,4-dicloroanilina|4-Amino-1,2-dichlorobenzene|4,5-Dichloroaniline|ANILINE, 3,4-DICHLORO-|Benzenamine, 3,4-dichloro-|BRN 0636837|DCA (amine)|EINECS 202-448-4|m,p-Dichloroaniline|m.p-Dichloroaniline|NSC 247|UNII-20KR9WJ4NS https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021815 https://doi.org/10.22427/NTP-DATA-DTXSID7021815
ARPathway2016 ARPathway2016_1769 3,4-Dichloroaniline 95-76-1 DTXSID7021815 1.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC(Cl)=C(Cl)C=C1 3,4-Dichloroaniline 95-76-1|3,4-Dichloroaniline|1-Amino-3,4-dichlorobenzene|3,4-DCA|3,4-Dichloranilin|3,4-Dichloraniline|3,4-Dichlorobenzenamine|3,4-Dichlorobenzeneamine|3,4-Dichlorophenylamine|3,4-dicloroanilina|4-Amino-1,2-dichlorobenzene|4,5-Dichloroaniline|ANILINE, 3,4-DICHLORO-|Benzenamine, 3,4-dichloro-|BRN 0636837|DCA (amine)|EINECS 202-448-4|m,p-Dichloroaniline|m.p-Dichloroaniline|NSC 247|UNII-20KR9WJ4NS https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021815 https://doi.org/10.22427/NTP-DATA-DTXSID7021815
ARPathway2016 ARPathway2016_1769 3,4-Dichloroaniline 95-76-1 DTXSID7021815 1.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC(Cl)=C(Cl)C=C1 3,4-Dichloroaniline 95-76-1|3,4-Dichloroaniline|1-Amino-3,4-dichlorobenzene|3,4-DCA|3,4-Dichloranilin|3,4-Dichloraniline|3,4-Dichlorobenzenamine|3,4-Dichlorobenzeneamine|3,4-Dichlorophenylamine|3,4-dicloroanilina|4-Amino-1,2-dichlorobenzene|4,5-Dichloroaniline|ANILINE, 3,4-DICHLORO-|Benzenamine, 3,4-dichloro-|BRN 0636837|DCA (amine)|EINECS 202-448-4|m,p-Dichloroaniline|m.p-Dichloroaniline|NSC 247|UNII-20KR9WJ4NS https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021815 https://doi.org/10.22427/NTP-DATA-DTXSID7021815
ERPathway2016 ERPathway2016_1026 3,4-Dichloroaniline 95-76-1 DTXSID7021815 ER Pathway Model, Agonist Model Score 0 Unitless NC1=CC(Cl)=C(Cl)C=C1 3,4-Dichloroaniline 95-76-1|3,4-Dichloroaniline|1-Amino-3,4-dichlorobenzene|3,4-DCA|3,4-Dichloranilin|3,4-Dichloraniline|3,4-Dichlorobenzenamine|3,4-Dichlorobenzeneamine|3,4-Dichlorophenylamine|3,4-dicloroanilina|4-Amino-1,2-dichlorobenzene|4,5-Dichloroaniline|ANILINE, 3,4-DICHLORO-|Benzenamine, 3,4-dichloro-|BRN 0636837|DCA (amine)|EINECS 202-448-4|m,p-Dichloroaniline|m.p-Dichloroaniline|NSC 247|UNII-20KR9WJ4NS https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021815 https://doi.org/10.22427/NTP-DATA-DTXSID7021815
ERPathway2016 ERPathway2016_1026 3,4-Dichloroaniline 95-76-1 DTXSID7021815 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC(Cl)=C(Cl)C=C1 3,4-Dichloroaniline 95-76-1|3,4-Dichloroaniline|1-Amino-3,4-dichlorobenzene|3,4-DCA|3,4-Dichloranilin|3,4-Dichloraniline|3,4-Dichlorobenzenamine|3,4-Dichlorobenzeneamine|3,4-Dichlorophenylamine|3,4-dicloroanilina|4-Amino-1,2-dichlorobenzene|4,5-Dichloroaniline|ANILINE, 3,4-DICHLORO-|Benzenamine, 3,4-dichloro-|BRN 0636837|DCA (amine)|EINECS 202-448-4|m,p-Dichloroaniline|m.p-Dichloroaniline|NSC 247|UNII-20KR9WJ4NS https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021815 https://doi.org/10.22427/NTP-DATA-DTXSID7021815
ERPathway2016 ERPathway2016_1026 3,4-Dichloroaniline 95-76-1 DTXSID7021815 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC(Cl)=C(Cl)C=C1 3,4-Dichloroaniline 95-76-1|3,4-Dichloroaniline|1-Amino-3,4-dichlorobenzene|3,4-DCA|3,4-Dichloranilin|3,4-Dichloraniline|3,4-Dichlorobenzenamine|3,4-Dichlorobenzeneamine|3,4-Dichlorophenylamine|3,4-dicloroanilina|4-Amino-1,2-dichlorobenzene|4,5-Dichloroaniline|ANILINE, 3,4-DICHLORO-|Benzenamine, 3,4-dichloro-|BRN 0636837|DCA (amine)|EINECS 202-448-4|m,p-Dichloroaniline|m.p-Dichloroaniline|NSC 247|UNII-20KR9WJ4NS https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021815 https://doi.org/10.22427/NTP-DATA-DTXSID7021815
ERPathway2016 ERPathway2016_1026 3,4-Dichloroaniline 95-76-1 DTXSID7021815 ER Pathway Model, Antagonist Call Inactive Unitless NC1=CC(Cl)=C(Cl)C=C1 3,4-Dichloroaniline 95-76-1|3,4-Dichloroaniline|1-Amino-3,4-dichlorobenzene|3,4-DCA|3,4-Dichloranilin|3,4-Dichloraniline|3,4-Dichlorobenzenamine|3,4-Dichlorobenzeneamine|3,4-Dichlorophenylamine|3,4-dicloroanilina|4-Amino-1,2-dichlorobenzene|4,5-Dichloroaniline|ANILINE, 3,4-DICHLORO-|Benzenamine, 3,4-dichloro-|BRN 0636837|DCA (amine)|EINECS 202-448-4|m,p-Dichloroaniline|m.p-Dichloroaniline|NSC 247|UNII-20KR9WJ4NS https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021815 https://doi.org/10.22427/NTP-DATA-DTXSID7021815
ARPathway2016 ARPathway2016_1814 3,4-Dichloronitrobenzene 99-54-7 DTXSID8024999 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [O-][N+](=O)C1=CC=C(Cl)C(Cl)=C1 3,4-Dichloronitrobenzene 99-54-7|3,4-Dichloronitrobenzene|1-Nitro-3,4-dichlorobenzene|3,4-Dichlornitrobenzen|3,4-Dichloronitrobenzen|AI3-03268|Benzene, 1,2-dichloro-4-nitro-|BRN 1818163|EINECS 202-764-2|NSC 6295|UNII-IJT74JI7FS https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024999 https://doi.org/10.22427/NTP-DATA-DTXSID8024999
ARPathway2016 ARPathway2016_1814 3,4-Dichloronitrobenzene 99-54-7 DTXSID8024999 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)C1=CC=C(Cl)C(Cl)=C1 3,4-Dichloronitrobenzene 99-54-7|3,4-Dichloronitrobenzene|1-Nitro-3,4-dichlorobenzene|3,4-Dichlornitrobenzen|3,4-Dichloronitrobenzen|AI3-03268|Benzene, 1,2-dichloro-4-nitro-|BRN 1818163|EINECS 202-764-2|NSC 6295|UNII-IJT74JI7FS https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024999 https://doi.org/10.22427/NTP-DATA-DTXSID8024999
ARPathway2016 ARPathway2016_1814 3,4-Dichloronitrobenzene 99-54-7 DTXSID8024999 0.0 AR Pathway Model, Agonist Call Inactive Unitless [O-][N+](=O)C1=CC=C(Cl)C(Cl)=C1 3,4-Dichloronitrobenzene 99-54-7|3,4-Dichloronitrobenzene|1-Nitro-3,4-dichlorobenzene|3,4-Dichlornitrobenzen|3,4-Dichloronitrobenzen|AI3-03268|Benzene, 1,2-dichloro-4-nitro-|BRN 1818163|EINECS 202-764-2|NSC 6295|UNII-IJT74JI7FS https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024999 https://doi.org/10.22427/NTP-DATA-DTXSID8024999
ARPathway2016 ARPathway2016_1814 3,4-Dichloronitrobenzene 99-54-7 DTXSID8024999 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=CC=C(Cl)C(Cl)=C1 3,4-Dichloronitrobenzene 99-54-7|3,4-Dichloronitrobenzene|1-Nitro-3,4-dichlorobenzene|3,4-Dichlornitrobenzen|3,4-Dichloronitrobenzen|AI3-03268|Benzene, 1,2-dichloro-4-nitro-|BRN 1818163|EINECS 202-764-2|NSC 6295|UNII-IJT74JI7FS https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024999 https://doi.org/10.22427/NTP-DATA-DTXSID8024999
ERPathway2016 ERPathway2016_1794 3,4-Dichloronitrobenzene 99-54-7 DTXSID8024999 ER Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)C1=CC=C(Cl)C(Cl)=C1 3,4-Dichloronitrobenzene 99-54-7|3,4-Dichloronitrobenzene|1-Nitro-3,4-dichlorobenzene|3,4-Dichlornitrobenzen|3,4-Dichloronitrobenzen|AI3-03268|Benzene, 1,2-dichloro-4-nitro-|BRN 1818163|EINECS 202-764-2|NSC 6295|UNII-IJT74JI7FS https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024999 https://doi.org/10.22427/NTP-DATA-DTXSID8024999
ERPathway2016 ERPathway2016_1794 3,4-Dichloronitrobenzene 99-54-7 DTXSID8024999 ER Pathway Model, Antagonist Model Score 0 Unitless [O-][N+](=O)C1=CC=C(Cl)C(Cl)=C1 3,4-Dichloronitrobenzene 99-54-7|3,4-Dichloronitrobenzene|1-Nitro-3,4-dichlorobenzene|3,4-Dichlornitrobenzen|3,4-Dichloronitrobenzen|AI3-03268|Benzene, 1,2-dichloro-4-nitro-|BRN 1818163|EINECS 202-764-2|NSC 6295|UNII-IJT74JI7FS https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024999 https://doi.org/10.22427/NTP-DATA-DTXSID8024999
ERPathway2016 ERPathway2016_1794 3,4-Dichloronitrobenzene 99-54-7 DTXSID8024999 ER Pathway Model, Agonist Call Inactive Unitless [O-][N+](=O)C1=CC=C(Cl)C(Cl)=C1 3,4-Dichloronitrobenzene 99-54-7|3,4-Dichloronitrobenzene|1-Nitro-3,4-dichlorobenzene|3,4-Dichlornitrobenzen|3,4-Dichloronitrobenzen|AI3-03268|Benzene, 1,2-dichloro-4-nitro-|BRN 1818163|EINECS 202-764-2|NSC 6295|UNII-IJT74JI7FS https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024999 https://doi.org/10.22427/NTP-DATA-DTXSID8024999
ERPathway2016 ERPathway2016_1794 3,4-Dichloronitrobenzene 99-54-7 DTXSID8024999 ER Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=CC=C(Cl)C(Cl)=C1 3,4-Dichloronitrobenzene 99-54-7|3,4-Dichloronitrobenzene|1-Nitro-3,4-dichlorobenzene|3,4-Dichlornitrobenzen|3,4-Dichloronitrobenzen|AI3-03268|Benzene, 1,2-dichloro-4-nitro-|BRN 1818163|EINECS 202-764-2|NSC 6295|UNII-IJT74JI7FS https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024999 https://doi.org/10.22427/NTP-DATA-DTXSID8024999
ARPathway2016 ARPathway2016_554 3,4-Dihydro-2H-pyran 110-87-2 DTXSID6041426 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1COC=CC1 3,4-Dihydro-2H-pyran 110-87-2|3,4-Dihydro-2H-pyran|1,2-Pyran, 3,4-dihydro-|2-Pyran, 3,4-dihydro-|2,3-Dihydro-2H-pyran|2,3-Dihydro-4H-pyran|2,3-Dihydro-g-pyran|2H-3,4-Dihydropyran|2H-Pyran, 3,4-dihydro-|3,4-dihidro-2H-pirano|3,4-Dihydro-2(H)-pyran|3,4-Dihydro-2H-pyrane|3,4-dihydro-2H-pyranne|5,6-Dihydro-4H-pyran|delta2-Dihydropyran|Dihydro-2H-pyran|Dihydropyran|EINECS 203-810-4|NSC 57860|NSC 73472|PYRAN (2H), 3,4-DIHYDRO-|Pyran, dihydro-|UN 2376|D2-Dihydropyran https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041426
ARPathway2016 ARPathway2016_554 3,4-Dihydro-2H-pyran 110-87-2 DTXSID6041426 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1COC=CC1 3,4-Dihydro-2H-pyran 110-87-2|3,4-Dihydro-2H-pyran|1,2-Pyran, 3,4-dihydro-|2-Pyran, 3,4-dihydro-|2,3-Dihydro-2H-pyran|2,3-Dihydro-4H-pyran|2,3-Dihydro-g-pyran|2H-3,4-Dihydropyran|2H-Pyran, 3,4-dihydro-|3,4-dihidro-2H-pirano|3,4-Dihydro-2(H)-pyran|3,4-Dihydro-2H-pyrane|3,4-dihydro-2H-pyranne|5,6-Dihydro-4H-pyran|delta2-Dihydropyran|Dihydro-2H-pyran|Dihydropyran|EINECS 203-810-4|NSC 57860|NSC 73472|PYRAN (2H), 3,4-DIHYDRO-|Pyran, dihydro-|UN 2376|D2-Dihydropyran https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041426
ARPathway2016 ARPathway2016_554 3,4-Dihydro-2H-pyran 110-87-2 DTXSID6041426 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1COC=CC1 3,4-Dihydro-2H-pyran 110-87-2|3,4-Dihydro-2H-pyran|1,2-Pyran, 3,4-dihydro-|2-Pyran, 3,4-dihydro-|2,3-Dihydro-2H-pyran|2,3-Dihydro-4H-pyran|2,3-Dihydro-g-pyran|2H-3,4-Dihydropyran|2H-Pyran, 3,4-dihydro-|3,4-dihidro-2H-pirano|3,4-Dihydro-2(H)-pyran|3,4-Dihydro-2H-pyrane|3,4-dihydro-2H-pyranne|5,6-Dihydro-4H-pyran|delta2-Dihydropyran|Dihydro-2H-pyran|Dihydropyran|EINECS 203-810-4|NSC 57860|NSC 73472|PYRAN (2H), 3,4-DIHYDRO-|Pyran, dihydro-|UN 2376|D2-Dihydropyran https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041426
ARPathway2016 ARPathway2016_554 3,4-Dihydro-2H-pyran 110-87-2 DTXSID6041426 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1COC=CC1 3,4-Dihydro-2H-pyran 110-87-2|3,4-Dihydro-2H-pyran|1,2-Pyran, 3,4-dihydro-|2-Pyran, 3,4-dihydro-|2,3-Dihydro-2H-pyran|2,3-Dihydro-4H-pyran|2,3-Dihydro-g-pyran|2H-3,4-Dihydropyran|2H-Pyran, 3,4-dihydro-|3,4-dihidro-2H-pirano|3,4-Dihydro-2(H)-pyran|3,4-Dihydro-2H-pyrane|3,4-dihydro-2H-pyranne|5,6-Dihydro-4H-pyran|delta2-Dihydropyran|Dihydro-2H-pyran|Dihydropyran|EINECS 203-810-4|NSC 57860|NSC 73472|PYRAN (2H), 3,4-DIHYDRO-|Pyran, dihydro-|UN 2376|D2-Dihydropyran https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041426
ERPathway2016 ERPathway2016_1141 3,4-Dihydro-2H-pyran 110-87-2 DTXSID6041426 ER Pathway Model, Agonist Model Score 0 Unitless C1COC=CC1 3,4-Dihydro-2H-pyran 110-87-2|3,4-Dihydro-2H-pyran|1,2-Pyran, 3,4-dihydro-|2-Pyran, 3,4-dihydro-|2,3-Dihydro-2H-pyran|2,3-Dihydro-4H-pyran|2,3-Dihydro-g-pyran|2H-3,4-Dihydropyran|2H-Pyran, 3,4-dihydro-|3,4-dihidro-2H-pirano|3,4-Dihydro-2(H)-pyran|3,4-Dihydro-2H-pyrane|3,4-dihydro-2H-pyranne|5,6-Dihydro-4H-pyran|delta2-Dihydropyran|Dihydro-2H-pyran|Dihydropyran|EINECS 203-810-4|NSC 57860|NSC 73472|PYRAN (2H), 3,4-DIHYDRO-|Pyran, dihydro-|UN 2376|D2-Dihydropyran https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041426
ERPathway2016 ERPathway2016_1141 3,4-Dihydro-2H-pyran 110-87-2 DTXSID6041426 ER Pathway Model, Antagonist Model Score 0 Unitless C1COC=CC1 3,4-Dihydro-2H-pyran 110-87-2|3,4-Dihydro-2H-pyran|1,2-Pyran, 3,4-dihydro-|2-Pyran, 3,4-dihydro-|2,3-Dihydro-2H-pyran|2,3-Dihydro-4H-pyran|2,3-Dihydro-g-pyran|2H-3,4-Dihydropyran|2H-Pyran, 3,4-dihydro-|3,4-dihidro-2H-pirano|3,4-Dihydro-2(H)-pyran|3,4-Dihydro-2H-pyrane|3,4-dihydro-2H-pyranne|5,6-Dihydro-4H-pyran|delta2-Dihydropyran|Dihydro-2H-pyran|Dihydropyran|EINECS 203-810-4|NSC 57860|NSC 73472|PYRAN (2H), 3,4-DIHYDRO-|Pyran, dihydro-|UN 2376|D2-Dihydropyran https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041426
ERPathway2016 ERPathway2016_1141 3,4-Dihydro-2H-pyran 110-87-2 DTXSID6041426 ER Pathway Model, Agonist Call Inactive Unitless C1COC=CC1 3,4-Dihydro-2H-pyran 110-87-2|3,4-Dihydro-2H-pyran|1,2-Pyran, 3,4-dihydro-|2-Pyran, 3,4-dihydro-|2,3-Dihydro-2H-pyran|2,3-Dihydro-4H-pyran|2,3-Dihydro-g-pyran|2H-3,4-Dihydropyran|2H-Pyran, 3,4-dihydro-|3,4-dihidro-2H-pirano|3,4-Dihydro-2(H)-pyran|3,4-Dihydro-2H-pyrane|3,4-dihydro-2H-pyranne|5,6-Dihydro-4H-pyran|delta2-Dihydropyran|Dihydro-2H-pyran|Dihydropyran|EINECS 203-810-4|NSC 57860|NSC 73472|PYRAN (2H), 3,4-DIHYDRO-|Pyran, dihydro-|UN 2376|D2-Dihydropyran https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041426
ERPathway2016 ERPathway2016_1141 3,4-Dihydro-2H-pyran 110-87-2 DTXSID6041426 ER Pathway Model, Antagonist Call Inactive Unitless C1COC=CC1 3,4-Dihydro-2H-pyran 110-87-2|3,4-Dihydro-2H-pyran|1,2-Pyran, 3,4-dihydro-|2-Pyran, 3,4-dihydro-|2,3-Dihydro-2H-pyran|2,3-Dihydro-4H-pyran|2,3-Dihydro-g-pyran|2H-3,4-Dihydropyran|2H-Pyran, 3,4-dihydro-|3,4-dihidro-2H-pirano|3,4-Dihydro-2(H)-pyran|3,4-Dihydro-2H-pyrane|3,4-dihydro-2H-pyranne|5,6-Dihydro-4H-pyran|delta2-Dihydropyran|Dihydro-2H-pyran|Dihydropyran|EINECS 203-810-4|NSC 57860|NSC 73472|PYRAN (2H), 3,4-DIHYDRO-|Pyran, dihydro-|UN 2376|D2-Dihydropyran https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041426
ARPathway2016 ARPathway2016_1765 3,4-Dimethylphenol 95-65-8 DTXSID4024062 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(C)C=C(O)C=C1 3,4-Dimethylphenol 95-65-8|3,4-Dimethylphenol|1-Hydroxy-3,4-dimethylbenzene|1,3,4-Xylenol|3,4-xilenol|3,4-Xylenol|4-06-00-03099|4-Hydroxy-1,2-dimethylbenzene|4,5-Dimethylphenol|BRN 1099267|EINECS 202-439-5|FEMA No. 3596|NSC 1549|Phenol, 3,4-dimethyl-|UNII-4L479F5JU6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024062 https://doi.org/10.22427/NTP-DATA-DTXSID4024062
ARPathway2016 ARPathway2016_1765 3,4-Dimethylphenol 95-65-8 DTXSID4024062 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(C)C=C(O)C=C1 3,4-Dimethylphenol 95-65-8|3,4-Dimethylphenol|1-Hydroxy-3,4-dimethylbenzene|1,3,4-Xylenol|3,4-xilenol|3,4-Xylenol|4-06-00-03099|4-Hydroxy-1,2-dimethylbenzene|4,5-Dimethylphenol|BRN 1099267|EINECS 202-439-5|FEMA No. 3596|NSC 1549|Phenol, 3,4-dimethyl-|UNII-4L479F5JU6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024062 https://doi.org/10.22427/NTP-DATA-DTXSID4024062
ARPathway2016 ARPathway2016_1765 3,4-Dimethylphenol 95-65-8 DTXSID4024062 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(C)C=C(O)C=C1 3,4-Dimethylphenol 95-65-8|3,4-Dimethylphenol|1-Hydroxy-3,4-dimethylbenzene|1,3,4-Xylenol|3,4-xilenol|3,4-Xylenol|4-06-00-03099|4-Hydroxy-1,2-dimethylbenzene|4,5-Dimethylphenol|BRN 1099267|EINECS 202-439-5|FEMA No. 3596|NSC 1549|Phenol, 3,4-dimethyl-|UNII-4L479F5JU6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024062 https://doi.org/10.22427/NTP-DATA-DTXSID4024062
ARPathway2016 ARPathway2016_1765 3,4-Dimethylphenol 95-65-8 DTXSID4024062 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(C)C=C(O)C=C1 3,4-Dimethylphenol 95-65-8|3,4-Dimethylphenol|1-Hydroxy-3,4-dimethylbenzene|1,3,4-Xylenol|3,4-xilenol|3,4-Xylenol|4-06-00-03099|4-Hydroxy-1,2-dimethylbenzene|4,5-Dimethylphenol|BRN 1099267|EINECS 202-439-5|FEMA No. 3596|NSC 1549|Phenol, 3,4-dimethyl-|UNII-4L479F5JU6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024062 https://doi.org/10.22427/NTP-DATA-DTXSID4024062
ERPathway2016 ERPathway2016_1033 3,4-Dimethylphenol 95-65-8 DTXSID4024062 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(C)C=C(O)C=C1 3,4-Dimethylphenol 95-65-8|3,4-Dimethylphenol|1-Hydroxy-3,4-dimethylbenzene|1,3,4-Xylenol|3,4-xilenol|3,4-Xylenol|4-06-00-03099|4-Hydroxy-1,2-dimethylbenzene|4,5-Dimethylphenol|BRN 1099267|EINECS 202-439-5|FEMA No. 3596|NSC 1549|Phenol, 3,4-dimethyl-|UNII-4L479F5JU6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024062 https://doi.org/10.22427/NTP-DATA-DTXSID4024062
ERPathway2016 ERPathway2016_1033 3,4-Dimethylphenol 95-65-8 DTXSID4024062 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(C)C=C(O)C=C1 3,4-Dimethylphenol 95-65-8|3,4-Dimethylphenol|1-Hydroxy-3,4-dimethylbenzene|1,3,4-Xylenol|3,4-xilenol|3,4-Xylenol|4-06-00-03099|4-Hydroxy-1,2-dimethylbenzene|4,5-Dimethylphenol|BRN 1099267|EINECS 202-439-5|FEMA No. 3596|NSC 1549|Phenol, 3,4-dimethyl-|UNII-4L479F5JU6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024062 https://doi.org/10.22427/NTP-DATA-DTXSID4024062
ERPathway2016 ERPathway2016_1033 3,4-Dimethylphenol 95-65-8 DTXSID4024062 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(C)C=C(O)C=C1 3,4-Dimethylphenol 95-65-8|3,4-Dimethylphenol|1-Hydroxy-3,4-dimethylbenzene|1,3,4-Xylenol|3,4-xilenol|3,4-Xylenol|4-06-00-03099|4-Hydroxy-1,2-dimethylbenzene|4,5-Dimethylphenol|BRN 1099267|EINECS 202-439-5|FEMA No. 3596|NSC 1549|Phenol, 3,4-dimethyl-|UNII-4L479F5JU6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024062 https://doi.org/10.22427/NTP-DATA-DTXSID4024062
ERPathway2016 ERPathway2016_1033 3,4-Dimethylphenol 95-65-8 DTXSID4024062 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(C)C=C(O)C=C1 3,4-Dimethylphenol 95-65-8|3,4-Dimethylphenol|1-Hydroxy-3,4-dimethylbenzene|1,3,4-Xylenol|3,4-xilenol|3,4-Xylenol|4-06-00-03099|4-Hydroxy-1,2-dimethylbenzene|4,5-Dimethylphenol|BRN 1099267|EINECS 202-439-5|FEMA No. 3596|NSC 1549|Phenol, 3,4-dimethyl-|UNII-4L479F5JU6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024062 https://doi.org/10.22427/NTP-DATA-DTXSID4024062
ARPathway2016 ARPathway2016_1491 3,5,3'-Triiodothyronine 6893-02-3 DTXSID8023216 1.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O 3,5,3'-Triiodothyronine 6893-02-3|3,5,3'-Triiodothyronine|(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid|(S)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid|229-999-3|3,3',5-Triiodo-L- thyronine|3,3',5-Triiodo-L-thyronine|3,3',5-triiodo-L-thyronine zwitterion|3,3',5-Triiodothyronine|3,3',5-Triiodothyronine, L-|3,3',5'-Triiodo-L-thyronine|3,3',5'-Triiodothyronine|3,5,3'-Tri-iodo-L-thyronine|4-(3-Iodo-4-hydroxyphenoxy)-3,5-diiodophenylalanine|4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-L-phenylalanine|4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine|Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, L-|BRN 2710227|Cyronine|EC No.: 229-999-3|EINECS 229-999-3|L-3-(4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl)alanine|L-3-[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-Alanine|L-3,3',5-Triiodo-Thyronine|L-3,3',5-Triiodothyronine|L-Liothyronine|L-T3|L-Triiodothyronine|L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-|Liothyronin|Liothyronine|Liothyroninum|liotironina|Lyothyronine|NSC 80203|O-(4-hydroxy-3-iodophe|57164-27-9|7013-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023216
ARPathway2016 ARPathway2016_1491 3,5,3'-Triiodothyronine 6893-02-3 DTXSID8023216 1.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O 3,5,3'-Triiodothyronine 6893-02-3|3,5,3'-Triiodothyronine|(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid|(S)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid|229-999-3|3,3',5-Triiodo-L- thyronine|3,3',5-Triiodo-L-thyronine|3,3',5-triiodo-L-thyronine zwitterion|3,3',5-Triiodothyronine|3,3',5-Triiodothyronine, L-|3,3',5'-Triiodo-L-thyronine|3,3',5'-Triiodothyronine|3,5,3'-Tri-iodo-L-thyronine|4-(3-Iodo-4-hydroxyphenoxy)-3,5-diiodophenylalanine|4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-L-phenylalanine|4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine|Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, L-|BRN 2710227|Cyronine|EC No.: 229-999-3|EINECS 229-999-3|L-3-(4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl)alanine|L-3-[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-Alanine|L-3,3',5-Triiodo-Thyronine|L-3,3',5-Triiodothyronine|L-Liothyronine|L-T3|L-Triiodothyronine|L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-|Liothyronin|Liothyronine|Liothyroninum|liotironina|Lyothyronine|NSC 80203|O-(4-hydroxy-3-iodophe|57164-27-9|7013-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023216
ARPathway2016 ARPathway2016_1491 3,5,3'-Triiodothyronine 6893-02-3 DTXSID8023216 1.0 A3 AR Pathway Model, Agonist Call Inactive Unitless N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O 3,5,3'-Triiodothyronine 6893-02-3|3,5,3'-Triiodothyronine|(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid|(S)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid|229-999-3|3,3',5-Triiodo-L- thyronine|3,3',5-Triiodo-L-thyronine|3,3',5-triiodo-L-thyronine zwitterion|3,3',5-Triiodothyronine|3,3',5-Triiodothyronine, L-|3,3',5'-Triiodo-L-thyronine|3,3',5'-Triiodothyronine|3,5,3'-Tri-iodo-L-thyronine|4-(3-Iodo-4-hydroxyphenoxy)-3,5-diiodophenylalanine|4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-L-phenylalanine|4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine|Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, L-|BRN 2710227|Cyronine|EC No.: 229-999-3|EINECS 229-999-3|L-3-(4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl)alanine|L-3-[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-Alanine|L-3,3',5-Triiodo-Thyronine|L-3,3',5-Triiodothyronine|L-Liothyronine|L-T3|L-Triiodothyronine|L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-|Liothyronin|Liothyronine|Liothyroninum|liotironina|Lyothyronine|NSC 80203|O-(4-hydroxy-3-iodophe|57164-27-9|7013-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023216
ARPathway2016 ARPathway2016_1491 3,5,3'-Triiodothyronine 6893-02-3 DTXSID8023216 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O 3,5,3'-Triiodothyronine 6893-02-3|3,5,3'-Triiodothyronine|(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid|(S)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid|229-999-3|3,3',5-Triiodo-L- thyronine|3,3',5-Triiodo-L-thyronine|3,3',5-triiodo-L-thyronine zwitterion|3,3',5-Triiodothyronine|3,3',5-Triiodothyronine, L-|3,3',5'-Triiodo-L-thyronine|3,3',5'-Triiodothyronine|3,5,3'-Tri-iodo-L-thyronine|4-(3-Iodo-4-hydroxyphenoxy)-3,5-diiodophenylalanine|4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-L-phenylalanine|4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine|Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, L-|BRN 2710227|Cyronine|EC No.: 229-999-3|EINECS 229-999-3|L-3-(4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl)alanine|L-3-[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-Alanine|L-3,3',5-Triiodo-Thyronine|L-3,3',5-Triiodothyronine|L-Liothyronine|L-T3|L-Triiodothyronine|L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-|Liothyronin|Liothyronine|Liothyroninum|liotironina|Lyothyronine|NSC 80203|O-(4-hydroxy-3-iodophe|57164-27-9|7013-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023216
ERPathway2016 ERPathway2016_223 3,5,3'-Triiodothyronine 6893-02-3 DTXSID8023216 Agonist ER Pathway Model, Antagonist AC50 10.3827496482303 uM N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O 3,5,3'-Triiodothyronine 6893-02-3|3,5,3'-Triiodothyronine|(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid|(S)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid|229-999-3|3,3',5-Triiodo-L- thyronine|3,3',5-Triiodo-L-thyronine|3,3',5-triiodo-L-thyronine zwitterion|3,3',5-Triiodothyronine|3,3',5-Triiodothyronine, L-|3,3',5'-Triiodo-L-thyronine|3,3',5'-Triiodothyronine|3,5,3'-Tri-iodo-L-thyronine|4-(3-Iodo-4-hydroxyphenoxy)-3,5-diiodophenylalanine|4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-L-phenylalanine|4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine|Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, L-|BRN 2710227|Cyronine|EC No.: 229-999-3|EINECS 229-999-3|L-3-(4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl)alanine|L-3-[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-Alanine|L-3,3',5-Triiodo-Thyronine|L-3,3',5-Triiodothyronine|L-Liothyronine|L-T3|L-Triiodothyronine|L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-|Liothyronin|Liothyronine|Liothyroninum|liotironina|Lyothyronine|NSC 80203|O-(4-hydroxy-3-iodophe|57164-27-9|7013-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023216
ERPathway2016 ERPathway2016_223 3,5,3'-Triiodothyronine 6893-02-3 DTXSID8023216 Agonist ER Pathway Model, Antagonist ACC 3.4648195092746 uM N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O 3,5,3'-Triiodothyronine 6893-02-3|3,5,3'-Triiodothyronine|(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid|(S)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid|229-999-3|3,3',5-Triiodo-L- thyronine|3,3',5-Triiodo-L-thyronine|3,3',5-triiodo-L-thyronine zwitterion|3,3',5-Triiodothyronine|3,3',5-Triiodothyronine, L-|3,3',5'-Triiodo-L-thyronine|3,3',5'-Triiodothyronine|3,5,3'-Tri-iodo-L-thyronine|4-(3-Iodo-4-hydroxyphenoxy)-3,5-diiodophenylalanine|4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-L-phenylalanine|4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine|Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, L-|BRN 2710227|Cyronine|EC No.: 229-999-3|EINECS 229-999-3|L-3-(4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl)alanine|L-3-[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-Alanine|L-3,3',5-Triiodo-Thyronine|L-3,3',5-Triiodothyronine|L-Liothyronine|L-T3|L-Triiodothyronine|L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-|Liothyronin|Liothyronine|Liothyroninum|liotironina|Lyothyronine|NSC 80203|O-(4-hydroxy-3-iodophe|57164-27-9|7013-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023216
ERPathway2016 ERPathway2016_223 3,5,3'-Triiodothyronine 6893-02-3 DTXSID8023216 Agonist ER Pathway Model, Agonist Model Score 0.135 Unitless N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O 3,5,3'-Triiodothyronine 6893-02-3|3,5,3'-Triiodothyronine|(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid|(S)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid|229-999-3|3,3',5-Triiodo-L- thyronine|3,3',5-Triiodo-L-thyronine|3,3',5-triiodo-L-thyronine zwitterion|3,3',5-Triiodothyronine|3,3',5-Triiodothyronine, L-|3,3',5'-Triiodo-L-thyronine|3,3',5'-Triiodothyronine|3,5,3'-Tri-iodo-L-thyronine|4-(3-Iodo-4-hydroxyphenoxy)-3,5-diiodophenylalanine|4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-L-phenylalanine|4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine|Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, L-|BRN 2710227|Cyronine|EC No.: 229-999-3|EINECS 229-999-3|L-3-(4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl)alanine|L-3-[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-Alanine|L-3,3',5-Triiodo-Thyronine|L-3,3',5-Triiodothyronine|L-Liothyronine|L-T3|L-Triiodothyronine|L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-|Liothyronin|Liothyronine|Liothyroninum|liotironina|Lyothyronine|NSC 80203|O-(4-hydroxy-3-iodophe|57164-27-9|7013-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023216
ERPathway2016 ERPathway2016_223 3,5,3'-Triiodothyronine 6893-02-3 DTXSID8023216 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O 3,5,3'-Triiodothyronine 6893-02-3|3,5,3'-Triiodothyronine|(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid|(S)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid|229-999-3|3,3',5-Triiodo-L- thyronine|3,3',5-Triiodo-L-thyronine|3,3',5-triiodo-L-thyronine zwitterion|3,3',5-Triiodothyronine|3,3',5-Triiodothyronine, L-|3,3',5'-Triiodo-L-thyronine|3,3',5'-Triiodothyronine|3,5,3'-Tri-iodo-L-thyronine|4-(3-Iodo-4-hydroxyphenoxy)-3,5-diiodophenylalanine|4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-L-phenylalanine|4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine|Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, L-|BRN 2710227|Cyronine|EC No.: 229-999-3|EINECS 229-999-3|L-3-(4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl)alanine|L-3-[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-Alanine|L-3,3',5-Triiodo-Thyronine|L-3,3',5-Triiodothyronine|L-Liothyronine|L-T3|L-Triiodothyronine|L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-|Liothyronin|Liothyronine|Liothyroninum|liotironina|Lyothyronine|NSC 80203|O-(4-hydroxy-3-iodophe|57164-27-9|7013-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023216
ERPathway2016 ERPathway2016_223 3,5,3'-Triiodothyronine 6893-02-3 DTXSID8023216 Agonist ER Pathway Model, Agonist Call Inactive Unitless N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O 3,5,3'-Triiodothyronine 6893-02-3|3,5,3'-Triiodothyronine|(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid|(S)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid|229-999-3|3,3',5-Triiodo-L- thyronine|3,3',5-Triiodo-L-thyronine|3,3',5-triiodo-L-thyronine zwitterion|3,3',5-Triiodothyronine|3,3',5-Triiodothyronine, L-|3,3',5'-Triiodo-L-thyronine|3,3',5'-Triiodothyronine|3,5,3'-Tri-iodo-L-thyronine|4-(3-Iodo-4-hydroxyphenoxy)-3,5-diiodophenylalanine|4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-L-phenylalanine|4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine|Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, L-|BRN 2710227|Cyronine|EC No.: 229-999-3|EINECS 229-999-3|L-3-(4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl)alanine|L-3-[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-Alanine|L-3,3',5-Triiodo-Thyronine|L-3,3',5-Triiodothyronine|L-Liothyronine|L-T3|L-Triiodothyronine|L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-|Liothyronin|Liothyronine|Liothyroninum|liotironina|Lyothyronine|NSC 80203|O-(4-hydroxy-3-iodophe|57164-27-9|7013-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023216
ERPathway2016 ERPathway2016_223 3,5,3'-Triiodothyronine 6893-02-3 DTXSID8023216 Agonist ER Pathway Model, Antagonist Call Active Unitless N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O 3,5,3'-Triiodothyronine 6893-02-3|3,5,3'-Triiodothyronine|(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid|(S)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid|229-999-3|3,3',5-Triiodo-L- thyronine|3,3',5-Triiodo-L-thyronine|3,3',5-triiodo-L-thyronine zwitterion|3,3',5-Triiodothyronine|3,3',5-Triiodothyronine, L-|3,3',5'-Triiodo-L-thyronine|3,3',5'-Triiodothyronine|3,5,3'-Tri-iodo-L-thyronine|4-(3-Iodo-4-hydroxyphenoxy)-3,5-diiodophenylalanine|4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-L-phenylalanine|4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine|Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, L-|BRN 2710227|Cyronine|EC No.: 229-999-3|EINECS 229-999-3|L-3-(4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl)alanine|L-3-[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-Alanine|L-3,3',5-Triiodo-Thyronine|L-3,3',5-Triiodothyronine|L-Liothyronine|L-T3|L-Triiodothyronine|L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-|Liothyronin|Liothyronine|Liothyroninum|liotironina|Lyothyronine|NSC 80203|O-(4-hydroxy-3-iodophe|57164-27-9|7013-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023216
ARPathway2016 ARPathway2016_1160 3,5,5-Trimethyl-1-hexanol 3452-97-9 DTXSID7029661 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(CCO)CC(C)(C)C 3,5,5-Trimethyl-1-hexanol 3452-97-9|3,5,5-Trimethyl-1-hexanol|1-Hexanol, 3,5,5-trimethyl-|3,5,5-Trimethylhexanol|3,5,5-Trimethylhexyl alcohol|Caswell No. 892A|EINECS 222-376-7|EPA Pesticide Chemical Code 492200|FEMA No. 3324|i-Nonyl alcohol|Nonylol|NSC 83151|NSC 97226|Trimethylhexyl alcohol|UNII-O5KUD6I57K|140237-16-7|201404-81-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029661
ARPathway2016 ARPathway2016_1160 3,5,5-Trimethyl-1-hexanol 3452-97-9 DTXSID7029661 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(CCO)CC(C)(C)C 3,5,5-Trimethyl-1-hexanol 3452-97-9|3,5,5-Trimethyl-1-hexanol|1-Hexanol, 3,5,5-trimethyl-|3,5,5-Trimethylhexanol|3,5,5-Trimethylhexyl alcohol|Caswell No. 892A|EINECS 222-376-7|EPA Pesticide Chemical Code 492200|FEMA No. 3324|i-Nonyl alcohol|Nonylol|NSC 83151|NSC 97226|Trimethylhexyl alcohol|UNII-O5KUD6I57K|140237-16-7|201404-81-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029661
ARPathway2016 ARPathway2016_1160 3,5,5-Trimethyl-1-hexanol 3452-97-9 DTXSID7029661 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(CCO)CC(C)(C)C 3,5,5-Trimethyl-1-hexanol 3452-97-9|3,5,5-Trimethyl-1-hexanol|1-Hexanol, 3,5,5-trimethyl-|3,5,5-Trimethylhexanol|3,5,5-Trimethylhexyl alcohol|Caswell No. 892A|EINECS 222-376-7|EPA Pesticide Chemical Code 492200|FEMA No. 3324|i-Nonyl alcohol|Nonylol|NSC 83151|NSC 97226|Trimethylhexyl alcohol|UNII-O5KUD6I57K|140237-16-7|201404-81-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029661
ARPathway2016 ARPathway2016_1160 3,5,5-Trimethyl-1-hexanol 3452-97-9 DTXSID7029661 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(CCO)CC(C)(C)C 3,5,5-Trimethyl-1-hexanol 3452-97-9|3,5,5-Trimethyl-1-hexanol|1-Hexanol, 3,5,5-trimethyl-|3,5,5-Trimethylhexanol|3,5,5-Trimethylhexyl alcohol|Caswell No. 892A|EINECS 222-376-7|EPA Pesticide Chemical Code 492200|FEMA No. 3324|i-Nonyl alcohol|Nonylol|NSC 83151|NSC 97226|Trimethylhexyl alcohol|UNII-O5KUD6I57K|140237-16-7|201404-81-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029661
ERPathway2016 ERPathway2016_874 3,5,5-Trimethyl-1-hexanol 3452-97-9 DTXSID7029661 ER Pathway Model, Agonist Model Score 0 Unitless CC(CCO)CC(C)(C)C 3,5,5-Trimethyl-1-hexanol 3452-97-9|3,5,5-Trimethyl-1-hexanol|1-Hexanol, 3,5,5-trimethyl-|3,5,5-Trimethylhexanol|3,5,5-Trimethylhexyl alcohol|Caswell No. 892A|EINECS 222-376-7|EPA Pesticide Chemical Code 492200|FEMA No. 3324|i-Nonyl alcohol|Nonylol|NSC 83151|NSC 97226|Trimethylhexyl alcohol|UNII-O5KUD6I57K|140237-16-7|201404-81-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029661
ERPathway2016 ERPathway2016_874 3,5,5-Trimethyl-1-hexanol 3452-97-9 DTXSID7029661 ER Pathway Model, Antagonist Model Score 0 Unitless CC(CCO)CC(C)(C)C 3,5,5-Trimethyl-1-hexanol 3452-97-9|3,5,5-Trimethyl-1-hexanol|1-Hexanol, 3,5,5-trimethyl-|3,5,5-Trimethylhexanol|3,5,5-Trimethylhexyl alcohol|Caswell No. 892A|EINECS 222-376-7|EPA Pesticide Chemical Code 492200|FEMA No. 3324|i-Nonyl alcohol|Nonylol|NSC 83151|NSC 97226|Trimethylhexyl alcohol|UNII-O5KUD6I57K|140237-16-7|201404-81-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029661
ERPathway2016 ERPathway2016_874 3,5,5-Trimethyl-1-hexanol 3452-97-9 DTXSID7029661 ER Pathway Model, Agonist Call Inactive Unitless CC(CCO)CC(C)(C)C 3,5,5-Trimethyl-1-hexanol 3452-97-9|3,5,5-Trimethyl-1-hexanol|1-Hexanol, 3,5,5-trimethyl-|3,5,5-Trimethylhexanol|3,5,5-Trimethylhexyl alcohol|Caswell No. 892A|EINECS 222-376-7|EPA Pesticide Chemical Code 492200|FEMA No. 3324|i-Nonyl alcohol|Nonylol|NSC 83151|NSC 97226|Trimethylhexyl alcohol|UNII-O5KUD6I57K|140237-16-7|201404-81-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029661
ERPathway2016 ERPathway2016_874 3,5,5-Trimethyl-1-hexanol 3452-97-9 DTXSID7029661 ER Pathway Model, Antagonist Call Inactive Unitless CC(CCO)CC(C)(C)C 3,5,5-Trimethyl-1-hexanol 3452-97-9|3,5,5-Trimethyl-1-hexanol|1-Hexanol, 3,5,5-trimethyl-|3,5,5-Trimethylhexanol|3,5,5-Trimethylhexyl alcohol|Caswell No. 892A|EINECS 222-376-7|EPA Pesticide Chemical Code 492200|FEMA No. 3324|i-Nonyl alcohol|Nonylol|NSC 83151|NSC 97226|Trimethylhexyl alcohol|UNII-O5KUD6I57K|140237-16-7|201404-81-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029661
ARPathway2016 ARPathway2016_1357 3,5,5-Trimethylhexyl acetate 58430-94-7 DTXSID0041270 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(CCOC(C)=O)CC(C)(C)C 3,5,5-Trimethylhexyl acetate 58430-94-7|3,5,5-Trimethylhexyl acetate|1-Hexanol, 3,5,5-trimethyl-, 1-acetate|1-Hexanol, 3,5,5-trimethyl-, acetate|3,5,5-Trimethyl-1-hexanol acetate|3,5,5-Trimethyl-1-hexanol, acetate|3,5,5-Trimethylhexan-1-ol acetate|4-02-00-00168|Acetic acid, 3,5,5-trimethylhexyl ester|BRN 1758391|EINECS 261-245-9|Isononyl acetate|Nonanyl acetate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041270
ARPathway2016 ARPathway2016_1357 3,5,5-Trimethylhexyl acetate 58430-94-7 DTXSID0041270 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(CCOC(C)=O)CC(C)(C)C 3,5,5-Trimethylhexyl acetate 58430-94-7|3,5,5-Trimethylhexyl acetate|1-Hexanol, 3,5,5-trimethyl-, 1-acetate|1-Hexanol, 3,5,5-trimethyl-, acetate|3,5,5-Trimethyl-1-hexanol acetate|3,5,5-Trimethyl-1-hexanol, acetate|3,5,5-Trimethylhexan-1-ol acetate|4-02-00-00168|Acetic acid, 3,5,5-trimethylhexyl ester|BRN 1758391|EINECS 261-245-9|Isononyl acetate|Nonanyl acetate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041270
ARPathway2016 ARPathway2016_1357 3,5,5-Trimethylhexyl acetate 58430-94-7 DTXSID0041270 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(CCOC(C)=O)CC(C)(C)C 3,5,5-Trimethylhexyl acetate 58430-94-7|3,5,5-Trimethylhexyl acetate|1-Hexanol, 3,5,5-trimethyl-, 1-acetate|1-Hexanol, 3,5,5-trimethyl-, acetate|3,5,5-Trimethyl-1-hexanol acetate|3,5,5-Trimethyl-1-hexanol, acetate|3,5,5-Trimethylhexan-1-ol acetate|4-02-00-00168|Acetic acid, 3,5,5-trimethylhexyl ester|BRN 1758391|EINECS 261-245-9|Isononyl acetate|Nonanyl acetate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041270
ARPathway2016 ARPathway2016_1357 3,5,5-Trimethylhexyl acetate 58430-94-7 DTXSID0041270 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(CCOC(C)=O)CC(C)(C)C 3,5,5-Trimethylhexyl acetate 58430-94-7|3,5,5-Trimethylhexyl acetate|1-Hexanol, 3,5,5-trimethyl-, 1-acetate|1-Hexanol, 3,5,5-trimethyl-, acetate|3,5,5-Trimethyl-1-hexanol acetate|3,5,5-Trimethyl-1-hexanol, acetate|3,5,5-Trimethylhexan-1-ol acetate|4-02-00-00168|Acetic acid, 3,5,5-trimethylhexyl ester|BRN 1758391|EINECS 261-245-9|Isononyl acetate|Nonanyl acetate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041270
ERPathway2016 ERPathway2016_1556 3,5,5-Trimethylhexyl acetate 58430-94-7 DTXSID0041270 ER Pathway Model, Agonist Model Score 0 Unitless CC(CCOC(C)=O)CC(C)(C)C 3,5,5-Trimethylhexyl acetate 58430-94-7|3,5,5-Trimethylhexyl acetate|1-Hexanol, 3,5,5-trimethyl-, 1-acetate|1-Hexanol, 3,5,5-trimethyl-, acetate|3,5,5-Trimethyl-1-hexanol acetate|3,5,5-Trimethyl-1-hexanol, acetate|3,5,5-Trimethylhexan-1-ol acetate|4-02-00-00168|Acetic acid, 3,5,5-trimethylhexyl ester|BRN 1758391|EINECS 261-245-9|Isononyl acetate|Nonanyl acetate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041270
ERPathway2016 ERPathway2016_1556 3,5,5-Trimethylhexyl acetate 58430-94-7 DTXSID0041270 ER Pathway Model, Antagonist Model Score 0 Unitless CC(CCOC(C)=O)CC(C)(C)C 3,5,5-Trimethylhexyl acetate 58430-94-7|3,5,5-Trimethylhexyl acetate|1-Hexanol, 3,5,5-trimethyl-, 1-acetate|1-Hexanol, 3,5,5-trimethyl-, acetate|3,5,5-Trimethyl-1-hexanol acetate|3,5,5-Trimethyl-1-hexanol, acetate|3,5,5-Trimethylhexan-1-ol acetate|4-02-00-00168|Acetic acid, 3,5,5-trimethylhexyl ester|BRN 1758391|EINECS 261-245-9|Isononyl acetate|Nonanyl acetate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041270
ERPathway2016 ERPathway2016_1556 3,5,5-Trimethylhexyl acetate 58430-94-7 DTXSID0041270 ER Pathway Model, Agonist Call Inactive Unitless CC(CCOC(C)=O)CC(C)(C)C 3,5,5-Trimethylhexyl acetate 58430-94-7|3,5,5-Trimethylhexyl acetate|1-Hexanol, 3,5,5-trimethyl-, 1-acetate|1-Hexanol, 3,5,5-trimethyl-, acetate|3,5,5-Trimethyl-1-hexanol acetate|3,5,5-Trimethyl-1-hexanol, acetate|3,5,5-Trimethylhexan-1-ol acetate|4-02-00-00168|Acetic acid, 3,5,5-trimethylhexyl ester|BRN 1758391|EINECS 261-245-9|Isononyl acetate|Nonanyl acetate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041270
ERPathway2016 ERPathway2016_1556 3,5,5-Trimethylhexyl acetate 58430-94-7 DTXSID0041270 ER Pathway Model, Antagonist Call Inactive Unitless CC(CCOC(C)=O)CC(C)(C)C 3,5,5-Trimethylhexyl acetate 58430-94-7|3,5,5-Trimethylhexyl acetate|1-Hexanol, 3,5,5-trimethyl-, 1-acetate|1-Hexanol, 3,5,5-trimethyl-, acetate|3,5,5-Trimethyl-1-hexanol acetate|3,5,5-Trimethyl-1-hexanol, acetate|3,5,5-Trimethylhexan-1-ol acetate|4-02-00-00168|Acetic acid, 3,5,5-trimethylhexyl ester|BRN 1758391|EINECS 261-245-9|Isononyl acetate|Nonanyl acetate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041270
ARPathway2016 ARPathway2016_1415 3,5-Dichloroaniline 626-43-7 DTXSID7030307 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC(Cl)=CC(Cl)=C1 3,5-Dichloroaniline 626-43-7|3,5-Dichloroaniline|3,5-DCA|3,5-Dichloranilin|3,5-Dichlorobenzenamine|3,5-Dichlorophenylamine|3,5-dicloroanilina|Aniline, 3,5-dichloro-|Benzenamine, 3,5-dichloro-|EINECS 210-948-9|m-dichloroaniline|RP 32596|UNII-OZ75ZM1S3G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030307 https://doi.org/10.22427/NTP-DATA-DTXSID7030307
ARPathway2016 ARPathway2016_1415 3,5-Dichloroaniline 626-43-7 DTXSID7030307 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=CC(Cl)=CC(Cl)=C1 3,5-Dichloroaniline 626-43-7|3,5-Dichloroaniline|3,5-DCA|3,5-Dichloranilin|3,5-Dichlorobenzenamine|3,5-Dichlorophenylamine|3,5-dicloroanilina|Aniline, 3,5-dichloro-|Benzenamine, 3,5-dichloro-|EINECS 210-948-9|m-dichloroaniline|RP 32596|UNII-OZ75ZM1S3G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030307 https://doi.org/10.22427/NTP-DATA-DTXSID7030307
ARPathway2016 ARPathway2016_1415 3,5-Dichloroaniline 626-43-7 DTXSID7030307 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC(Cl)=CC(Cl)=C1 3,5-Dichloroaniline 626-43-7|3,5-Dichloroaniline|3,5-DCA|3,5-Dichloranilin|3,5-Dichlorobenzenamine|3,5-Dichlorophenylamine|3,5-dicloroanilina|Aniline, 3,5-dichloro-|Benzenamine, 3,5-dichloro-|EINECS 210-948-9|m-dichloroaniline|RP 32596|UNII-OZ75ZM1S3G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030307 https://doi.org/10.22427/NTP-DATA-DTXSID7030307
ARPathway2016 ARPathway2016_1415 3,5-Dichloroaniline 626-43-7 DTXSID7030307 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC(Cl)=CC(Cl)=C1 3,5-Dichloroaniline 626-43-7|3,5-Dichloroaniline|3,5-DCA|3,5-Dichloranilin|3,5-Dichlorobenzenamine|3,5-Dichlorophenylamine|3,5-dicloroanilina|Aniline, 3,5-dichloro-|Benzenamine, 3,5-dichloro-|EINECS 210-948-9|m-dichloroaniline|RP 32596|UNII-OZ75ZM1S3G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030307 https://doi.org/10.22427/NTP-DATA-DTXSID7030307
ERPathway2016 ERPathway2016_1008 3,5-Dichloroaniline 626-43-7 DTXSID7030307 ER Pathway Model, Agonist Model Score 0 Unitless NC1=CC(Cl)=CC(Cl)=C1 3,5-Dichloroaniline 626-43-7|3,5-Dichloroaniline|3,5-DCA|3,5-Dichloranilin|3,5-Dichlorobenzenamine|3,5-Dichlorophenylamine|3,5-dicloroanilina|Aniline, 3,5-dichloro-|Benzenamine, 3,5-dichloro-|EINECS 210-948-9|m-dichloroaniline|RP 32596|UNII-OZ75ZM1S3G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030307 https://doi.org/10.22427/NTP-DATA-DTXSID7030307
ERPathway2016 ERPathway2016_1008 3,5-Dichloroaniline 626-43-7 DTXSID7030307 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC(Cl)=CC(Cl)=C1 3,5-Dichloroaniline 626-43-7|3,5-Dichloroaniline|3,5-DCA|3,5-Dichloranilin|3,5-Dichlorobenzenamine|3,5-Dichlorophenylamine|3,5-dicloroanilina|Aniline, 3,5-dichloro-|Benzenamine, 3,5-dichloro-|EINECS 210-948-9|m-dichloroaniline|RP 32596|UNII-OZ75ZM1S3G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030307 https://doi.org/10.22427/NTP-DATA-DTXSID7030307
ERPathway2016 ERPathway2016_1008 3,5-Dichloroaniline 626-43-7 DTXSID7030307 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC(Cl)=CC(Cl)=C1 3,5-Dichloroaniline 626-43-7|3,5-Dichloroaniline|3,5-DCA|3,5-Dichloranilin|3,5-Dichlorobenzenamine|3,5-Dichlorophenylamine|3,5-dicloroanilina|Aniline, 3,5-dichloro-|Benzenamine, 3,5-dichloro-|EINECS 210-948-9|m-dichloroaniline|RP 32596|UNII-OZ75ZM1S3G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030307 https://doi.org/10.22427/NTP-DATA-DTXSID7030307
ERPathway2016 ERPathway2016_1008 3,5-Dichloroaniline 626-43-7 DTXSID7030307 ER Pathway Model, Antagonist Call Inactive Unitless NC1=CC(Cl)=CC(Cl)=C1 3,5-Dichloroaniline 626-43-7|3,5-Dichloroaniline|3,5-DCA|3,5-Dichloranilin|3,5-Dichlorobenzenamine|3,5-Dichlorophenylamine|3,5-dicloroanilina|Aniline, 3,5-dichloro-|Benzenamine, 3,5-dichloro-|EINECS 210-948-9|m-dichloroaniline|RP 32596|UNII-OZ75ZM1S3G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030307 https://doi.org/10.22427/NTP-DATA-DTXSID7030307
ARPathway2016 ARPathway2016_496 3,5-Dimethyl-1-hexyn-3-ol 107-54-0 DTXSID6041472 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)CC(C)(O)C#C 3,5-Dimethyl-1-hexyn-3-ol 107-54-0|3,5-Dimethyl-1-hexyn-3-ol|1-Hexyn-3-ol, 3,5-dimethyl-|EINECS 203-500-9|NSC 978|Surfynol|Surfynol 61|UNII-Q988C9BDWK https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041472
ARPathway2016 ARPathway2016_496 3,5-Dimethyl-1-hexyn-3-ol 107-54-0 DTXSID6041472 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)CC(C)(O)C#C 3,5-Dimethyl-1-hexyn-3-ol 107-54-0|3,5-Dimethyl-1-hexyn-3-ol|1-Hexyn-3-ol, 3,5-dimethyl-|EINECS 203-500-9|NSC 978|Surfynol|Surfynol 61|UNII-Q988C9BDWK https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041472
ARPathway2016 ARPathway2016_496 3,5-Dimethyl-1-hexyn-3-ol 107-54-0 DTXSID6041472 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)CC(C)(O)C#C 3,5-Dimethyl-1-hexyn-3-ol 107-54-0|3,5-Dimethyl-1-hexyn-3-ol|1-Hexyn-3-ol, 3,5-dimethyl-|EINECS 203-500-9|NSC 978|Surfynol|Surfynol 61|UNII-Q988C9BDWK https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041472
ARPathway2016 ARPathway2016_496 3,5-Dimethyl-1-hexyn-3-ol 107-54-0 DTXSID6041472 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)CC(C)(O)C#C 3,5-Dimethyl-1-hexyn-3-ol 107-54-0|3,5-Dimethyl-1-hexyn-3-ol|1-Hexyn-3-ol, 3,5-dimethyl-|EINECS 203-500-9|NSC 978|Surfynol|Surfynol 61|UNII-Q988C9BDWK https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041472
ERPathway2016 ERPathway2016_1102 3,5-Dimethyl-1-hexyn-3-ol 107-54-0 DTXSID6041472 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)CC(C)(O)C#C 3,5-Dimethyl-1-hexyn-3-ol 107-54-0|3,5-Dimethyl-1-hexyn-3-ol|1-Hexyn-3-ol, 3,5-dimethyl-|EINECS 203-500-9|NSC 978|Surfynol|Surfynol 61|UNII-Q988C9BDWK https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041472
ERPathway2016 ERPathway2016_1102 3,5-Dimethyl-1-hexyn-3-ol 107-54-0 DTXSID6041472 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)CC(C)(O)C#C 3,5-Dimethyl-1-hexyn-3-ol 107-54-0|3,5-Dimethyl-1-hexyn-3-ol|1-Hexyn-3-ol, 3,5-dimethyl-|EINECS 203-500-9|NSC 978|Surfynol|Surfynol 61|UNII-Q988C9BDWK https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041472
ERPathway2016 ERPathway2016_1102 3,5-Dimethyl-1-hexyn-3-ol 107-54-0 DTXSID6041472 ER Pathway Model, Agonist Call Inactive Unitless CC(C)CC(C)(O)C#C 3,5-Dimethyl-1-hexyn-3-ol 107-54-0|3,5-Dimethyl-1-hexyn-3-ol|1-Hexyn-3-ol, 3,5-dimethyl-|EINECS 203-500-9|NSC 978|Surfynol|Surfynol 61|UNII-Q988C9BDWK https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041472
ERPathway2016 ERPathway2016_1102 3,5-Dimethyl-1-hexyn-3-ol 107-54-0 DTXSID6041472 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)CC(C)(O)C#C 3,5-Dimethyl-1-hexyn-3-ol 107-54-0|3,5-Dimethyl-1-hexyn-3-ol|1-Hexyn-3-ol, 3,5-dimethyl-|EINECS 203-500-9|NSC 978|Surfynol|Surfynol 61|UNII-Q988C9BDWK https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041472
ARPathway2016 ARPathway2016_516 3,5-Dimethylphenol 108-68-9 DTXSID1025148 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(O)=CC(C)=C1 3,5-Dimethylphenol 108-68-9|3,5-Dimethylphenol|1-Hydroxy-3,5-dimethylbenzene|1,3,5-Xylenol|1,5-Dimethyl-3-hyperoxybenzene|3,5-Dmp|3,5-xilenol|3,5-Xylenol|Benzene, 1,3-dimethyl-5-hydroxy-|EINECS 203-606-5|NSC 9268|Phenol, 3,5-dimethyl-|Sym-m-xylenol|UNII-ONA760G0WA|Xylenol 200|50356-23-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025148 https://doi.org/10.22427/NTP-DATA-DTXSID1025148
ARPathway2016 ARPathway2016_516 3,5-Dimethylphenol 108-68-9 DTXSID1025148 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(O)=CC(C)=C1 3,5-Dimethylphenol 108-68-9|3,5-Dimethylphenol|1-Hydroxy-3,5-dimethylbenzene|1,3,5-Xylenol|1,5-Dimethyl-3-hyperoxybenzene|3,5-Dmp|3,5-xilenol|3,5-Xylenol|Benzene, 1,3-dimethyl-5-hydroxy-|EINECS 203-606-5|NSC 9268|Phenol, 3,5-dimethyl-|Sym-m-xylenol|UNII-ONA760G0WA|Xylenol 200|50356-23-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025148 https://doi.org/10.22427/NTP-DATA-DTXSID1025148
ARPathway2016 ARPathway2016_516 3,5-Dimethylphenol 108-68-9 DTXSID1025148 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(O)=CC(C)=C1 3,5-Dimethylphenol 108-68-9|3,5-Dimethylphenol|1-Hydroxy-3,5-dimethylbenzene|1,3,5-Xylenol|1,5-Dimethyl-3-hyperoxybenzene|3,5-Dmp|3,5-xilenol|3,5-Xylenol|Benzene, 1,3-dimethyl-5-hydroxy-|EINECS 203-606-5|NSC 9268|Phenol, 3,5-dimethyl-|Sym-m-xylenol|UNII-ONA760G0WA|Xylenol 200|50356-23-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025148 https://doi.org/10.22427/NTP-DATA-DTXSID1025148
ARPathway2016 ARPathway2016_516 3,5-Dimethylphenol 108-68-9 DTXSID1025148 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(O)=CC(C)=C1 3,5-Dimethylphenol 108-68-9|3,5-Dimethylphenol|1-Hydroxy-3,5-dimethylbenzene|1,3,5-Xylenol|1,5-Dimethyl-3-hyperoxybenzene|3,5-Dmp|3,5-xilenol|3,5-Xylenol|Benzene, 1,3-dimethyl-5-hydroxy-|EINECS 203-606-5|NSC 9268|Phenol, 3,5-dimethyl-|Sym-m-xylenol|UNII-ONA760G0WA|Xylenol 200|50356-23-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025148 https://doi.org/10.22427/NTP-DATA-DTXSID1025148
ERPathway2016 ERPathway2016_1116 3,5-Dimethylphenol 108-68-9 DTXSID1025148 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(O)=CC(C)=C1 3,5-Dimethylphenol 108-68-9|3,5-Dimethylphenol|1-Hydroxy-3,5-dimethylbenzene|1,3,5-Xylenol|1,5-Dimethyl-3-hyperoxybenzene|3,5-Dmp|3,5-xilenol|3,5-Xylenol|Benzene, 1,3-dimethyl-5-hydroxy-|EINECS 203-606-5|NSC 9268|Phenol, 3,5-dimethyl-|Sym-m-xylenol|UNII-ONA760G0WA|Xylenol 200|50356-23-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025148 https://doi.org/10.22427/NTP-DATA-DTXSID1025148
ERPathway2016 ERPathway2016_1116 3,5-Dimethylphenol 108-68-9 DTXSID1025148 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(O)=CC(C)=C1 3,5-Dimethylphenol 108-68-9|3,5-Dimethylphenol|1-Hydroxy-3,5-dimethylbenzene|1,3,5-Xylenol|1,5-Dimethyl-3-hyperoxybenzene|3,5-Dmp|3,5-xilenol|3,5-Xylenol|Benzene, 1,3-dimethyl-5-hydroxy-|EINECS 203-606-5|NSC 9268|Phenol, 3,5-dimethyl-|Sym-m-xylenol|UNII-ONA760G0WA|Xylenol 200|50356-23-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025148 https://doi.org/10.22427/NTP-DATA-DTXSID1025148
ERPathway2016 ERPathway2016_1116 3,5-Dimethylphenol 108-68-9 DTXSID1025148 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(O)=CC(C)=C1 3,5-Dimethylphenol 108-68-9|3,5-Dimethylphenol|1-Hydroxy-3,5-dimethylbenzene|1,3,5-Xylenol|1,5-Dimethyl-3-hyperoxybenzene|3,5-Dmp|3,5-xilenol|3,5-Xylenol|Benzene, 1,3-dimethyl-5-hydroxy-|EINECS 203-606-5|NSC 9268|Phenol, 3,5-dimethyl-|Sym-m-xylenol|UNII-ONA760G0WA|Xylenol 200|50356-23-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025148 https://doi.org/10.22427/NTP-DATA-DTXSID1025148
ERPathway2016 ERPathway2016_1116 3,5-Dimethylphenol 108-68-9 DTXSID1025148 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(O)=CC(C)=C1 3,5-Dimethylphenol 108-68-9|3,5-Dimethylphenol|1-Hydroxy-3,5-dimethylbenzene|1,3,5-Xylenol|1,5-Dimethyl-3-hyperoxybenzene|3,5-Dmp|3,5-xilenol|3,5-Xylenol|Benzene, 1,3-dimethyl-5-hydroxy-|EINECS 203-606-5|NSC 9268|Phenol, 3,5-dimethyl-|Sym-m-xylenol|UNII-ONA760G0WA|Xylenol 200|50356-23-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025148 https://doi.org/10.22427/NTP-DATA-DTXSID1025148
ARPathway2016 ARPathway2016_894 3,6,9,12-Tetraoxahexadecan-1-ol 1559-34-8 DTXSID2027412 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOCCOCCOCCOCCO 3,6,9,12-Tetraoxahexadecan-1-ol 1559-34-8|3,6,9,12-Tetraoxahexadecan-1-ol|EINECS 216-322-1|Tetraethylene glycol, monobutyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027412
ARPathway2016 ARPathway2016_894 3,6,9,12-Tetraoxahexadecan-1-ol 1559-34-8 DTXSID2027412 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOCCOCCOCCOCCO 3,6,9,12-Tetraoxahexadecan-1-ol 1559-34-8|3,6,9,12-Tetraoxahexadecan-1-ol|EINECS 216-322-1|Tetraethylene glycol, monobutyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027412
ARPathway2016 ARPathway2016_894 3,6,9,12-Tetraoxahexadecan-1-ol 1559-34-8 DTXSID2027412 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOCCOCCOCCOCCO 3,6,9,12-Tetraoxahexadecan-1-ol 1559-34-8|3,6,9,12-Tetraoxahexadecan-1-ol|EINECS 216-322-1|Tetraethylene glycol, monobutyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027412
ARPathway2016 ARPathway2016_894 3,6,9,12-Tetraoxahexadecan-1-ol 1559-34-8 DTXSID2027412 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOCCOCCOCCOCCO 3,6,9,12-Tetraoxahexadecan-1-ol 1559-34-8|3,6,9,12-Tetraoxahexadecan-1-ol|EINECS 216-322-1|Tetraethylene glycol, monobutyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027412
ERPathway2016 ERPathway2016_1327 3,6,9,12-Tetraoxahexadecan-1-ol 1559-34-8 DTXSID2027412 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOCCOCCOCCOCCO 3,6,9,12-Tetraoxahexadecan-1-ol 1559-34-8|3,6,9,12-Tetraoxahexadecan-1-ol|EINECS 216-322-1|Tetraethylene glycol, monobutyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027412
ERPathway2016 ERPathway2016_1327 3,6,9,12-Tetraoxahexadecan-1-ol 1559-34-8 DTXSID2027412 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOCCOCCOCCOCCO 3,6,9,12-Tetraoxahexadecan-1-ol 1559-34-8|3,6,9,12-Tetraoxahexadecan-1-ol|EINECS 216-322-1|Tetraethylene glycol, monobutyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027412
ERPathway2016 ERPathway2016_1327 3,6,9,12-Tetraoxahexadecan-1-ol 1559-34-8 DTXSID2027412 ER Pathway Model, Agonist Call Inactive Unitless CCCCOCCOCCOCCOCCO 3,6,9,12-Tetraoxahexadecan-1-ol 1559-34-8|3,6,9,12-Tetraoxahexadecan-1-ol|EINECS 216-322-1|Tetraethylene glycol, monobutyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027412
ERPathway2016 ERPathway2016_1327 3,6,9,12-Tetraoxahexadecan-1-ol 1559-34-8 DTXSID2027412 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOCCOCCOCCOCCO 3,6,9,12-Tetraoxahexadecan-1-ol 1559-34-8|3,6,9,12-Tetraoxahexadecan-1-ol|EINECS 216-322-1|Tetraethylene glycol, monobutyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027412
ARPathway2016 ARPathway2016_1297 3,7-Dimethyl-2,6-octadienal 5392-40-5 DTXSID6024836 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(C)=CC=O 3,7-Dimethyl-2,6-octadienal 5392-40-5|3,7-Dimethyl-2,6-octadienal|2,6-Dimethyloctadien-2,6-al-8|2,6-Octadienal, 3,7-dimethyl-|3-01-00-03053|3,7-Dimethyl-1,2,6-octadienal|3,7-Dimethyl-2,6-octadien-1-al|BRN 1721871|Caswell No. 221B|cis,trans-Citral|Citral|Citral extra|EINECS 226-394-6|EPA Pesticide Chemical Code 040510|FEMA Number 2303|Lemarome N|Lemsyn GB|NCI-C56348|NSC 6170|UNII-T7EU0O9VPP|1392408-16-0|250599-19-0|37350-34-8|433282-33-8|8022-94-4|96680-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024836 https://doi.org/10.22427/NTP-DATA-DTXSID6024836
ARPathway2016 ARPathway2016_1297 3,7-Dimethyl-2,6-octadienal 5392-40-5 DTXSID6024836 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(C)=CC=O 3,7-Dimethyl-2,6-octadienal 5392-40-5|3,7-Dimethyl-2,6-octadienal|2,6-Dimethyloctadien-2,6-al-8|2,6-Octadienal, 3,7-dimethyl-|3-01-00-03053|3,7-Dimethyl-1,2,6-octadienal|3,7-Dimethyl-2,6-octadien-1-al|BRN 1721871|Caswell No. 221B|cis,trans-Citral|Citral|Citral extra|EINECS 226-394-6|EPA Pesticide Chemical Code 040510|FEMA Number 2303|Lemarome N|Lemsyn GB|NCI-C56348|NSC 6170|UNII-T7EU0O9VPP|1392408-16-0|250599-19-0|37350-34-8|433282-33-8|8022-94-4|96680-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024836 https://doi.org/10.22427/NTP-DATA-DTXSID6024836
ARPathway2016 ARPathway2016_1297 3,7-Dimethyl-2,6-octadienal 5392-40-5 DTXSID6024836 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(C)=CC=O 3,7-Dimethyl-2,6-octadienal 5392-40-5|3,7-Dimethyl-2,6-octadienal|2,6-Dimethyloctadien-2,6-al-8|2,6-Octadienal, 3,7-dimethyl-|3-01-00-03053|3,7-Dimethyl-1,2,6-octadienal|3,7-Dimethyl-2,6-octadien-1-al|BRN 1721871|Caswell No. 221B|cis,trans-Citral|Citral|Citral extra|EINECS 226-394-6|EPA Pesticide Chemical Code 040510|FEMA Number 2303|Lemarome N|Lemsyn GB|NCI-C56348|NSC 6170|UNII-T7EU0O9VPP|1392408-16-0|250599-19-0|37350-34-8|433282-33-8|8022-94-4|96680-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024836 https://doi.org/10.22427/NTP-DATA-DTXSID6024836
ARPathway2016 ARPathway2016_1297 3,7-Dimethyl-2,6-octadienal 5392-40-5 DTXSID6024836 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(C)=CC=O 3,7-Dimethyl-2,6-octadienal 5392-40-5|3,7-Dimethyl-2,6-octadienal|2,6-Dimethyloctadien-2,6-al-8|2,6-Octadienal, 3,7-dimethyl-|3-01-00-03053|3,7-Dimethyl-1,2,6-octadienal|3,7-Dimethyl-2,6-octadien-1-al|BRN 1721871|Caswell No. 221B|cis,trans-Citral|Citral|Citral extra|EINECS 226-394-6|EPA Pesticide Chemical Code 040510|FEMA Number 2303|Lemarome N|Lemsyn GB|NCI-C56348|NSC 6170|UNII-T7EU0O9VPP|1392408-16-0|250599-19-0|37350-34-8|433282-33-8|8022-94-4|96680-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024836 https://doi.org/10.22427/NTP-DATA-DTXSID6024836
ERPathway2016 ERPathway2016_1031 3,7-Dimethyl-2,6-octadienal 5392-40-5 DTXSID6024836 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(C)=CC=O 3,7-Dimethyl-2,6-octadienal 5392-40-5|3,7-Dimethyl-2,6-octadienal|2,6-Dimethyloctadien-2,6-al-8|2,6-Octadienal, 3,7-dimethyl-|3-01-00-03053|3,7-Dimethyl-1,2,6-octadienal|3,7-Dimethyl-2,6-octadien-1-al|BRN 1721871|Caswell No. 221B|cis,trans-Citral|Citral|Citral extra|EINECS 226-394-6|EPA Pesticide Chemical Code 040510|FEMA Number 2303|Lemarome N|Lemsyn GB|NCI-C56348|NSC 6170|UNII-T7EU0O9VPP|1392408-16-0|250599-19-0|37350-34-8|433282-33-8|8022-94-4|96680-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024836 https://doi.org/10.22427/NTP-DATA-DTXSID6024836
ERPathway2016 ERPathway2016_1031 3,7-Dimethyl-2,6-octadienal 5392-40-5 DTXSID6024836 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(C)=CC=O 3,7-Dimethyl-2,6-octadienal 5392-40-5|3,7-Dimethyl-2,6-octadienal|2,6-Dimethyloctadien-2,6-al-8|2,6-Octadienal, 3,7-dimethyl-|3-01-00-03053|3,7-Dimethyl-1,2,6-octadienal|3,7-Dimethyl-2,6-octadien-1-al|BRN 1721871|Caswell No. 221B|cis,trans-Citral|Citral|Citral extra|EINECS 226-394-6|EPA Pesticide Chemical Code 040510|FEMA Number 2303|Lemarome N|Lemsyn GB|NCI-C56348|NSC 6170|UNII-T7EU0O9VPP|1392408-16-0|250599-19-0|37350-34-8|433282-33-8|8022-94-4|96680-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024836 https://doi.org/10.22427/NTP-DATA-DTXSID6024836
ERPathway2016 ERPathway2016_1031 3,7-Dimethyl-2,6-octadienal 5392-40-5 DTXSID6024836 ER Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(C)=CC=O 3,7-Dimethyl-2,6-octadienal 5392-40-5|3,7-Dimethyl-2,6-octadienal|2,6-Dimethyloctadien-2,6-al-8|2,6-Octadienal, 3,7-dimethyl-|3-01-00-03053|3,7-Dimethyl-1,2,6-octadienal|3,7-Dimethyl-2,6-octadien-1-al|BRN 1721871|Caswell No. 221B|cis,trans-Citral|Citral|Citral extra|EINECS 226-394-6|EPA Pesticide Chemical Code 040510|FEMA Number 2303|Lemarome N|Lemsyn GB|NCI-C56348|NSC 6170|UNII-T7EU0O9VPP|1392408-16-0|250599-19-0|37350-34-8|433282-33-8|8022-94-4|96680-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024836 https://doi.org/10.22427/NTP-DATA-DTXSID6024836
ERPathway2016 ERPathway2016_1031 3,7-Dimethyl-2,6-octadienal 5392-40-5 DTXSID6024836 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(C)=CC=O 3,7-Dimethyl-2,6-octadienal 5392-40-5|3,7-Dimethyl-2,6-octadienal|2,6-Dimethyloctadien-2,6-al-8|2,6-Octadienal, 3,7-dimethyl-|3-01-00-03053|3,7-Dimethyl-1,2,6-octadienal|3,7-Dimethyl-2,6-octadien-1-al|BRN 1721871|Caswell No. 221B|cis,trans-Citral|Citral|Citral extra|EINECS 226-394-6|EPA Pesticide Chemical Code 040510|FEMA Number 2303|Lemarome N|Lemsyn GB|NCI-C56348|NSC 6170|UNII-T7EU0O9VPP|1392408-16-0|250599-19-0|37350-34-8|433282-33-8|8022-94-4|96680-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024836 https://doi.org/10.22427/NTP-DATA-DTXSID6024836
ARPathway2016 ARPathway2016_1576 3,7-Dimethyl-3-octanol 78-69-3 DTXSID7029110 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(C)(O)CCCC(C)C 3,7-Dimethyl-3-octanol 78-69-3|3,7-Dimethyl-3-octanol|2,6-Dimethyl-6-octanol|3-Octanol, 3,7-dimethyl-|EINECS 201-133-9|EINECS 260-912-1|FEMA No. 3060|Linalool tetrahydride|NSC 128151|Tetrahydrolinalool|Tetrahydromuguol|UNII-UM4XS5M134|57706-88-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029110
ARPathway2016 ARPathway2016_1576 3,7-Dimethyl-3-octanol 78-69-3 DTXSID7029110 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)(O)CCCC(C)C 3,7-Dimethyl-3-octanol 78-69-3|3,7-Dimethyl-3-octanol|2,6-Dimethyl-6-octanol|3-Octanol, 3,7-dimethyl-|EINECS 201-133-9|EINECS 260-912-1|FEMA No. 3060|Linalool tetrahydride|NSC 128151|Tetrahydrolinalool|Tetrahydromuguol|UNII-UM4XS5M134|57706-88-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029110
ARPathway2016 ARPathway2016_1576 3,7-Dimethyl-3-octanol 78-69-3 DTXSID7029110 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC(C)(O)CCCC(C)C 3,7-Dimethyl-3-octanol 78-69-3|3,7-Dimethyl-3-octanol|2,6-Dimethyl-6-octanol|3-Octanol, 3,7-dimethyl-|EINECS 201-133-9|EINECS 260-912-1|FEMA No. 3060|Linalool tetrahydride|NSC 128151|Tetrahydrolinalool|Tetrahydromuguol|UNII-UM4XS5M134|57706-88-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029110
ARPathway2016 ARPathway2016_1576 3,7-Dimethyl-3-octanol 78-69-3 DTXSID7029110 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)(O)CCCC(C)C 3,7-Dimethyl-3-octanol 78-69-3|3,7-Dimethyl-3-octanol|2,6-Dimethyl-6-octanol|3-Octanol, 3,7-dimethyl-|EINECS 201-133-9|EINECS 260-912-1|FEMA No. 3060|Linalool tetrahydride|NSC 128151|Tetrahydrolinalool|Tetrahydromuguol|UNII-UM4XS5M134|57706-88-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029110
ERPathway2016 ERPathway2016_1664 3,7-Dimethyl-3-octanol 78-69-3 DTXSID7029110 ER Pathway Model, Agonist Model Score 0 Unitless CCC(C)(O)CCCC(C)C 3,7-Dimethyl-3-octanol 78-69-3|3,7-Dimethyl-3-octanol|2,6-Dimethyl-6-octanol|3-Octanol, 3,7-dimethyl-|EINECS 201-133-9|EINECS 260-912-1|FEMA No. 3060|Linalool tetrahydride|NSC 128151|Tetrahydrolinalool|Tetrahydromuguol|UNII-UM4XS5M134|57706-88-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029110
ERPathway2016 ERPathway2016_1664 3,7-Dimethyl-3-octanol 78-69-3 DTXSID7029110 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)(O)CCCC(C)C 3,7-Dimethyl-3-octanol 78-69-3|3,7-Dimethyl-3-octanol|2,6-Dimethyl-6-octanol|3-Octanol, 3,7-dimethyl-|EINECS 201-133-9|EINECS 260-912-1|FEMA No. 3060|Linalool tetrahydride|NSC 128151|Tetrahydrolinalool|Tetrahydromuguol|UNII-UM4XS5M134|57706-88-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029110
ERPathway2016 ERPathway2016_1664 3,7-Dimethyl-3-octanol 78-69-3 DTXSID7029110 ER Pathway Model, Agonist Call Inactive Unitless CCC(C)(O)CCCC(C)C 3,7-Dimethyl-3-octanol 78-69-3|3,7-Dimethyl-3-octanol|2,6-Dimethyl-6-octanol|3-Octanol, 3,7-dimethyl-|EINECS 201-133-9|EINECS 260-912-1|FEMA No. 3060|Linalool tetrahydride|NSC 128151|Tetrahydrolinalool|Tetrahydromuguol|UNII-UM4XS5M134|57706-88-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029110
ERPathway2016 ERPathway2016_1664 3,7-Dimethyl-3-octanol 78-69-3 DTXSID7029110 ER Pathway Model, Antagonist Call Inactive Unitless CCC(C)(O)CCCC(C)C 3,7-Dimethyl-3-octanol 78-69-3|3,7-Dimethyl-3-octanol|2,6-Dimethyl-6-octanol|3-Octanol, 3,7-dimethyl-|EINECS 201-133-9|EINECS 260-912-1|FEMA No. 3060|Linalool tetrahydride|NSC 128151|Tetrahydrolinalool|Tetrahydromuguol|UNII-UM4XS5M134|57706-88-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029110
ARPathway2016 ARPathway2016_984 3,7-Dimethyloctan-3-yl acetate 20780-48-7 DTXSID5041487 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(C)(CCCC(C)C)OC(C)=O 3,7-Dimethyloctan-3-yl acetate 20780-48-7|3,7-Dimethyloctan-3-yl acetate|EINECS 244-033-0|Tetrahydro lavandulyl acetate|Tetrahydro linalyl acetate https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041487
ARPathway2016 ARPathway2016_984 3,7-Dimethyloctan-3-yl acetate 20780-48-7 DTXSID5041487 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)(CCCC(C)C)OC(C)=O 3,7-Dimethyloctan-3-yl acetate 20780-48-7|3,7-Dimethyloctan-3-yl acetate|EINECS 244-033-0|Tetrahydro lavandulyl acetate|Tetrahydro linalyl acetate https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041487
ARPathway2016 ARPathway2016_984 3,7-Dimethyloctan-3-yl acetate 20780-48-7 DTXSID5041487 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC(C)(CCCC(C)C)OC(C)=O 3,7-Dimethyloctan-3-yl acetate 20780-48-7|3,7-Dimethyloctan-3-yl acetate|EINECS 244-033-0|Tetrahydro lavandulyl acetate|Tetrahydro linalyl acetate https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041487
ARPathway2016 ARPathway2016_984 3,7-Dimethyloctan-3-yl acetate 20780-48-7 DTXSID5041487 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)(CCCC(C)C)OC(C)=O 3,7-Dimethyloctan-3-yl acetate 20780-48-7|3,7-Dimethyloctan-3-yl acetate|EINECS 244-033-0|Tetrahydro lavandulyl acetate|Tetrahydro linalyl acetate https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041487
ERPathway2016 ERPathway2016_1370 3,7-Dimethyloctan-3-yl acetate 20780-48-7 DTXSID5041487 ER Pathway Model, Agonist Model Score 0 Unitless CCC(C)(CCCC(C)C)OC(C)=O 3,7-Dimethyloctan-3-yl acetate 20780-48-7|3,7-Dimethyloctan-3-yl acetate|EINECS 244-033-0|Tetrahydro lavandulyl acetate|Tetrahydro linalyl acetate https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041487
ERPathway2016 ERPathway2016_1370 3,7-Dimethyloctan-3-yl acetate 20780-48-7 DTXSID5041487 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)(CCCC(C)C)OC(C)=O 3,7-Dimethyloctan-3-yl acetate 20780-48-7|3,7-Dimethyloctan-3-yl acetate|EINECS 244-033-0|Tetrahydro lavandulyl acetate|Tetrahydro linalyl acetate https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041487
ERPathway2016 ERPathway2016_1370 3,7-Dimethyloctan-3-yl acetate 20780-48-7 DTXSID5041487 ER Pathway Model, Agonist Call Inactive Unitless CCC(C)(CCCC(C)C)OC(C)=O 3,7-Dimethyloctan-3-yl acetate 20780-48-7|3,7-Dimethyloctan-3-yl acetate|EINECS 244-033-0|Tetrahydro lavandulyl acetate|Tetrahydro linalyl acetate https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041487
ERPathway2016 ERPathway2016_1370 3,7-Dimethyloctan-3-yl acetate 20780-48-7 DTXSID5041487 ER Pathway Model, Antagonist Call Inactive Unitless CCC(C)(CCCC(C)C)OC(C)=O 3,7-Dimethyloctan-3-yl acetate 20780-48-7|3,7-Dimethyloctan-3-yl acetate|EINECS 244-033-0|Tetrahydro lavandulyl acetate|Tetrahydro linalyl acetate https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041487
ARPathway2016 ARPathway2016_1715 3-Aminopropyltriethoxysilane 919-30-2 DTXSID2027333 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCO[Si](CCCN)(OCC)OCC 3-Aminopropyltriethoxysilane 919-30-2|3-Aminopropyltriethoxysilane|(3-AMINOPROPYL)-TRIAETHOXY-SILAN|(3-Aminopropyl)triethoxysilane|(gamma-Aminopropyl)triethoxysilane|(g-Aminopropyl)triethoxysilane|1-AMINOPROPYLTRIETHOXYSILANE|1-Propanamine, 3-(triethoxysilyl)-|213-048-4|3-(Triethoxysilyl)-1-propanamine|3-(Triethoxysilyl)-1-propylamine|3-(Triethoxysilyl)propanamine|3-(Triethoxysilyl)propylamine|3-aminopropiltrietoxisilano|3-Aminopropyltriethoxysilan|4-04-00-04273|A 1101 coupling agent|Aminopropyltriethoxysilane|BRN 1754988|Dow Corning Z 6011|DS-AMEO|Dynasylan 1203|Dynasylan AMEO|Dynasylan AMEO-T|Dynasylan Hydrosil 2627|EC No.: 213-048-4|EINECS 213-048-4|gamma-Aminopropyltriethoxy silane|Geniosil GF 93|Hydrosil 2627|KH 507PS10S|NSC 95428|Propylamine, 3-(triethoxysilyl)-|Pyralin VM 651|Sila-Ace MS 3201|Sila-Ace S 330|Silane 1100|Silane AMG 9|Silane amg-9|Silane, (3-aminopropyl)triethoxy-|Silane, gamma-aminopropyltriethoxy-|Silicone A 1100|Silicone A-1100|Silquest A 110|Silquest A 1100|Silquest A 1101|Silquest A 1102|Silquest A 1106|Silwet A 1100|Surfcoat LX|Toray Silicone Z 60|1020103-34-7|1044532-60-6|106096-79-1|12738-50-0|130730-84-6|131641-77-5|1392103-81-9|143178-71-6|1582784-92-6|159778-17-3|1686133-96-9|204987-58-6|449753-82-6|479401-05-3|60000-97-7|607502-71-6|71618-18-3|86836-28-4|875121-65-6|88527-61-1|96726-79-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027333
ARPathway2016 ARPathway2016_1715 3-Aminopropyltriethoxysilane 919-30-2 DTXSID2027333 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCO[Si](CCCN)(OCC)OCC 3-Aminopropyltriethoxysilane 919-30-2|3-Aminopropyltriethoxysilane|(3-AMINOPROPYL)-TRIAETHOXY-SILAN|(3-Aminopropyl)triethoxysilane|(gamma-Aminopropyl)triethoxysilane|(g-Aminopropyl)triethoxysilane|1-AMINOPROPYLTRIETHOXYSILANE|1-Propanamine, 3-(triethoxysilyl)-|213-048-4|3-(Triethoxysilyl)-1-propanamine|3-(Triethoxysilyl)-1-propylamine|3-(Triethoxysilyl)propanamine|3-(Triethoxysilyl)propylamine|3-aminopropiltrietoxisilano|3-Aminopropyltriethoxysilan|4-04-00-04273|A 1101 coupling agent|Aminopropyltriethoxysilane|BRN 1754988|Dow Corning Z 6011|DS-AMEO|Dynasylan 1203|Dynasylan AMEO|Dynasylan AMEO-T|Dynasylan Hydrosil 2627|EC No.: 213-048-4|EINECS 213-048-4|gamma-Aminopropyltriethoxy silane|Geniosil GF 93|Hydrosil 2627|KH 507PS10S|NSC 95428|Propylamine, 3-(triethoxysilyl)-|Pyralin VM 651|Sila-Ace MS 3201|Sila-Ace S 330|Silane 1100|Silane AMG 9|Silane amg-9|Silane, (3-aminopropyl)triethoxy-|Silane, gamma-aminopropyltriethoxy-|Silicone A 1100|Silicone A-1100|Silquest A 110|Silquest A 1100|Silquest A 1101|Silquest A 1102|Silquest A 1106|Silwet A 1100|Surfcoat LX|Toray Silicone Z 60|1020103-34-7|1044532-60-6|106096-79-1|12738-50-0|130730-84-6|131641-77-5|1392103-81-9|143178-71-6|1582784-92-6|159778-17-3|1686133-96-9|204987-58-6|449753-82-6|479401-05-3|60000-97-7|607502-71-6|71618-18-3|86836-28-4|875121-65-6|88527-61-1|96726-79-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027333
ARPathway2016 ARPathway2016_1715 3-Aminopropyltriethoxysilane 919-30-2 DTXSID2027333 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCO[Si](CCCN)(OCC)OCC 3-Aminopropyltriethoxysilane 919-30-2|3-Aminopropyltriethoxysilane|(3-AMINOPROPYL)-TRIAETHOXY-SILAN|(3-Aminopropyl)triethoxysilane|(gamma-Aminopropyl)triethoxysilane|(g-Aminopropyl)triethoxysilane|1-AMINOPROPYLTRIETHOXYSILANE|1-Propanamine, 3-(triethoxysilyl)-|213-048-4|3-(Triethoxysilyl)-1-propanamine|3-(Triethoxysilyl)-1-propylamine|3-(Triethoxysilyl)propanamine|3-(Triethoxysilyl)propylamine|3-aminopropiltrietoxisilano|3-Aminopropyltriethoxysilan|4-04-00-04273|A 1101 coupling agent|Aminopropyltriethoxysilane|BRN 1754988|Dow Corning Z 6011|DS-AMEO|Dynasylan 1203|Dynasylan AMEO|Dynasylan AMEO-T|Dynasylan Hydrosil 2627|EC No.: 213-048-4|EINECS 213-048-4|gamma-Aminopropyltriethoxy silane|Geniosil GF 93|Hydrosil 2627|KH 507PS10S|NSC 95428|Propylamine, 3-(triethoxysilyl)-|Pyralin VM 651|Sila-Ace MS 3201|Sila-Ace S 330|Silane 1100|Silane AMG 9|Silane amg-9|Silane, (3-aminopropyl)triethoxy-|Silane, gamma-aminopropyltriethoxy-|Silicone A 1100|Silicone A-1100|Silquest A 110|Silquest A 1100|Silquest A 1101|Silquest A 1102|Silquest A 1106|Silwet A 1100|Surfcoat LX|Toray Silicone Z 60|1020103-34-7|1044532-60-6|106096-79-1|12738-50-0|130730-84-6|131641-77-5|1392103-81-9|143178-71-6|1582784-92-6|159778-17-3|1686133-96-9|204987-58-6|449753-82-6|479401-05-3|60000-97-7|607502-71-6|71618-18-3|86836-28-4|875121-65-6|88527-61-1|96726-79-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027333
ARPathway2016 ARPathway2016_1715 3-Aminopropyltriethoxysilane 919-30-2 DTXSID2027333 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCO[Si](CCCN)(OCC)OCC 3-Aminopropyltriethoxysilane 919-30-2|3-Aminopropyltriethoxysilane|(3-AMINOPROPYL)-TRIAETHOXY-SILAN|(3-Aminopropyl)triethoxysilane|(gamma-Aminopropyl)triethoxysilane|(g-Aminopropyl)triethoxysilane|1-AMINOPROPYLTRIETHOXYSILANE|1-Propanamine, 3-(triethoxysilyl)-|213-048-4|3-(Triethoxysilyl)-1-propanamine|3-(Triethoxysilyl)-1-propylamine|3-(Triethoxysilyl)propanamine|3-(Triethoxysilyl)propylamine|3-aminopropiltrietoxisilano|3-Aminopropyltriethoxysilan|4-04-00-04273|A 1101 coupling agent|Aminopropyltriethoxysilane|BRN 1754988|Dow Corning Z 6011|DS-AMEO|Dynasylan 1203|Dynasylan AMEO|Dynasylan AMEO-T|Dynasylan Hydrosil 2627|EC No.: 213-048-4|EINECS 213-048-4|gamma-Aminopropyltriethoxy silane|Geniosil GF 93|Hydrosil 2627|KH 507PS10S|NSC 95428|Propylamine, 3-(triethoxysilyl)-|Pyralin VM 651|Sila-Ace MS 3201|Sila-Ace S 330|Silane 1100|Silane AMG 9|Silane amg-9|Silane, (3-aminopropyl)triethoxy-|Silane, gamma-aminopropyltriethoxy-|Silicone A 1100|Silicone A-1100|Silquest A 110|Silquest A 1100|Silquest A 1101|Silquest A 1102|Silquest A 1106|Silwet A 1100|Surfcoat LX|Toray Silicone Z 60|1020103-34-7|1044532-60-6|106096-79-1|12738-50-0|130730-84-6|131641-77-5|1392103-81-9|143178-71-6|1582784-92-6|159778-17-3|1686133-96-9|204987-58-6|449753-82-6|479401-05-3|60000-97-7|607502-71-6|71618-18-3|86836-28-4|875121-65-6|88527-61-1|96726-79-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027333
ERPathway2016 ERPathway2016_1743 3-Aminopropyltriethoxysilane 919-30-2 DTXSID2027333 ER Pathway Model, Agonist Model Score 0 Unitless CCO[Si](CCCN)(OCC)OCC 3-Aminopropyltriethoxysilane 919-30-2|3-Aminopropyltriethoxysilane|(3-AMINOPROPYL)-TRIAETHOXY-SILAN|(3-Aminopropyl)triethoxysilane|(gamma-Aminopropyl)triethoxysilane|(g-Aminopropyl)triethoxysilane|1-AMINOPROPYLTRIETHOXYSILANE|1-Propanamine, 3-(triethoxysilyl)-|213-048-4|3-(Triethoxysilyl)-1-propanamine|3-(Triethoxysilyl)-1-propylamine|3-(Triethoxysilyl)propanamine|3-(Triethoxysilyl)propylamine|3-aminopropiltrietoxisilano|3-Aminopropyltriethoxysilan|4-04-00-04273|A 1101 coupling agent|Aminopropyltriethoxysilane|BRN 1754988|Dow Corning Z 6011|DS-AMEO|Dynasylan 1203|Dynasylan AMEO|Dynasylan AMEO-T|Dynasylan Hydrosil 2627|EC No.: 213-048-4|EINECS 213-048-4|gamma-Aminopropyltriethoxy silane|Geniosil GF 93|Hydrosil 2627|KH 507PS10S|NSC 95428|Propylamine, 3-(triethoxysilyl)-|Pyralin VM 651|Sila-Ace MS 3201|Sila-Ace S 330|Silane 1100|Silane AMG 9|Silane amg-9|Silane, (3-aminopropyl)triethoxy-|Silane, gamma-aminopropyltriethoxy-|Silicone A 1100|Silicone A-1100|Silquest A 110|Silquest A 1100|Silquest A 1101|Silquest A 1102|Silquest A 1106|Silwet A 1100|Surfcoat LX|Toray Silicone Z 60|1020103-34-7|1044532-60-6|106096-79-1|12738-50-0|130730-84-6|131641-77-5|1392103-81-9|143178-71-6|1582784-92-6|159778-17-3|1686133-96-9|204987-58-6|449753-82-6|479401-05-3|60000-97-7|607502-71-6|71618-18-3|86836-28-4|875121-65-6|88527-61-1|96726-79-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027333
ERPathway2016 ERPathway2016_1743 3-Aminopropyltriethoxysilane 919-30-2 DTXSID2027333 ER Pathway Model, Antagonist Model Score 0 Unitless CCO[Si](CCCN)(OCC)OCC 3-Aminopropyltriethoxysilane 919-30-2|3-Aminopropyltriethoxysilane|(3-AMINOPROPYL)-TRIAETHOXY-SILAN|(3-Aminopropyl)triethoxysilane|(gamma-Aminopropyl)triethoxysilane|(g-Aminopropyl)triethoxysilane|1-AMINOPROPYLTRIETHOXYSILANE|1-Propanamine, 3-(triethoxysilyl)-|213-048-4|3-(Triethoxysilyl)-1-propanamine|3-(Triethoxysilyl)-1-propylamine|3-(Triethoxysilyl)propanamine|3-(Triethoxysilyl)propylamine|3-aminopropiltrietoxisilano|3-Aminopropyltriethoxysilan|4-04-00-04273|A 1101 coupling agent|Aminopropyltriethoxysilane|BRN 1754988|Dow Corning Z 6011|DS-AMEO|Dynasylan 1203|Dynasylan AMEO|Dynasylan AMEO-T|Dynasylan Hydrosil 2627|EC No.: 213-048-4|EINECS 213-048-4|gamma-Aminopropyltriethoxy silane|Geniosil GF 93|Hydrosil 2627|KH 507PS10S|NSC 95428|Propylamine, 3-(triethoxysilyl)-|Pyralin VM 651|Sila-Ace MS 3201|Sila-Ace S 330|Silane 1100|Silane AMG 9|Silane amg-9|Silane, (3-aminopropyl)triethoxy-|Silane, gamma-aminopropyltriethoxy-|Silicone A 1100|Silicone A-1100|Silquest A 110|Silquest A 1100|Silquest A 1101|Silquest A 1102|Silquest A 1106|Silwet A 1100|Surfcoat LX|Toray Silicone Z 60|1020103-34-7|1044532-60-6|106096-79-1|12738-50-0|130730-84-6|131641-77-5|1392103-81-9|143178-71-6|1582784-92-6|159778-17-3|1686133-96-9|204987-58-6|449753-82-6|479401-05-3|60000-97-7|607502-71-6|71618-18-3|86836-28-4|875121-65-6|88527-61-1|96726-79-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027333
ERPathway2016 ERPathway2016_1743 3-Aminopropyltriethoxysilane 919-30-2 DTXSID2027333 ER Pathway Model, Agonist Call Inactive Unitless CCO[Si](CCCN)(OCC)OCC 3-Aminopropyltriethoxysilane 919-30-2|3-Aminopropyltriethoxysilane|(3-AMINOPROPYL)-TRIAETHOXY-SILAN|(3-Aminopropyl)triethoxysilane|(gamma-Aminopropyl)triethoxysilane|(g-Aminopropyl)triethoxysilane|1-AMINOPROPYLTRIETHOXYSILANE|1-Propanamine, 3-(triethoxysilyl)-|213-048-4|3-(Triethoxysilyl)-1-propanamine|3-(Triethoxysilyl)-1-propylamine|3-(Triethoxysilyl)propanamine|3-(Triethoxysilyl)propylamine|3-aminopropiltrietoxisilano|3-Aminopropyltriethoxysilan|4-04-00-04273|A 1101 coupling agent|Aminopropyltriethoxysilane|BRN 1754988|Dow Corning Z 6011|DS-AMEO|Dynasylan 1203|Dynasylan AMEO|Dynasylan AMEO-T|Dynasylan Hydrosil 2627|EC No.: 213-048-4|EINECS 213-048-4|gamma-Aminopropyltriethoxy silane|Geniosil GF 93|Hydrosil 2627|KH 507PS10S|NSC 95428|Propylamine, 3-(triethoxysilyl)-|Pyralin VM 651|Sila-Ace MS 3201|Sila-Ace S 330|Silane 1100|Silane AMG 9|Silane amg-9|Silane, (3-aminopropyl)triethoxy-|Silane, gamma-aminopropyltriethoxy-|Silicone A 1100|Silicone A-1100|Silquest A 110|Silquest A 1100|Silquest A 1101|Silquest A 1102|Silquest A 1106|Silwet A 1100|Surfcoat LX|Toray Silicone Z 60|1020103-34-7|1044532-60-6|106096-79-1|12738-50-0|130730-84-6|131641-77-5|1392103-81-9|143178-71-6|1582784-92-6|159778-17-3|1686133-96-9|204987-58-6|449753-82-6|479401-05-3|60000-97-7|607502-71-6|71618-18-3|86836-28-4|875121-65-6|88527-61-1|96726-79-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027333
ERPathway2016 ERPathway2016_1743 3-Aminopropyltriethoxysilane 919-30-2 DTXSID2027333 ER Pathway Model, Antagonist Call Inactive Unitless CCO[Si](CCCN)(OCC)OCC 3-Aminopropyltriethoxysilane 919-30-2|3-Aminopropyltriethoxysilane|(3-AMINOPROPYL)-TRIAETHOXY-SILAN|(3-Aminopropyl)triethoxysilane|(gamma-Aminopropyl)triethoxysilane|(g-Aminopropyl)triethoxysilane|1-AMINOPROPYLTRIETHOXYSILANE|1-Propanamine, 3-(triethoxysilyl)-|213-048-4|3-(Triethoxysilyl)-1-propanamine|3-(Triethoxysilyl)-1-propylamine|3-(Triethoxysilyl)propanamine|3-(Triethoxysilyl)propylamine|3-aminopropiltrietoxisilano|3-Aminopropyltriethoxysilan|4-04-00-04273|A 1101 coupling agent|Aminopropyltriethoxysilane|BRN 1754988|Dow Corning Z 6011|DS-AMEO|Dynasylan 1203|Dynasylan AMEO|Dynasylan AMEO-T|Dynasylan Hydrosil 2627|EC No.: 213-048-4|EINECS 213-048-4|gamma-Aminopropyltriethoxy silane|Geniosil GF 93|Hydrosil 2627|KH 507PS10S|NSC 95428|Propylamine, 3-(triethoxysilyl)-|Pyralin VM 651|Sila-Ace MS 3201|Sila-Ace S 330|Silane 1100|Silane AMG 9|Silane amg-9|Silane, (3-aminopropyl)triethoxy-|Silane, gamma-aminopropyltriethoxy-|Silicone A 1100|Silicone A-1100|Silquest A 110|Silquest A 1100|Silquest A 1101|Silquest A 1102|Silquest A 1106|Silwet A 1100|Surfcoat LX|Toray Silicone Z 60|1020103-34-7|1044532-60-6|106096-79-1|12738-50-0|130730-84-6|131641-77-5|1392103-81-9|143178-71-6|1582784-92-6|159778-17-3|1686133-96-9|204987-58-6|449753-82-6|479401-05-3|60000-97-7|607502-71-6|71618-18-3|86836-28-4|875121-65-6|88527-61-1|96726-79-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027333
ARPathway2016 ARPathway2016_1128 3'-Azido-3'-deoxythymidine 30516-87-1 DTXSID8020127 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O 3'-Azido-3'-deoxythymidine 30516-87-1|3'-Azido-3'-deoxythymidine|1-(3-Azido-2,3-dideoxy-beta-D-ribofuranosyl)-5-methylpyrimidine-2,4-(1H,3H)-dione|3-Azido-3-deoxythymidine|3'-Azido-3'-desoxythymidine|3'-Azidothymidine|3'-Deoxy-3'-azidothymidine|3'-AZT|Azidothymidine|Azitidin|AZT|AZT (pharmaceutical)|BW-A 509U|Combvir|Compound S|NSC 602670|Retrovir|Retrovir IV|Retrovis|Thymidine, 3'-azido-3'-deoxy-|Timazid|UNII-4B9XT59T7S|Viro-Z|ZDV|Zido-H|Zidovudin|Zidovudina|Zidovudine|Zidovudinum|ZVD|1350915-89-7|1904592-23-9|2471391-52-1|399024-19-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020127 https://doi.org/10.22427/NTP-DATA-DTXSID8020127
ARPathway2016 ARPathway2016_1128 3'-Azido-3'-deoxythymidine 30516-87-1 DTXSID8020127 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O 3'-Azido-3'-deoxythymidine 30516-87-1|3'-Azido-3'-deoxythymidine|1-(3-Azido-2,3-dideoxy-beta-D-ribofuranosyl)-5-methylpyrimidine-2,4-(1H,3H)-dione|3-Azido-3-deoxythymidine|3'-Azido-3'-desoxythymidine|3'-Azidothymidine|3'-Deoxy-3'-azidothymidine|3'-AZT|Azidothymidine|Azitidin|AZT|AZT (pharmaceutical)|BW-A 509U|Combvir|Compound S|NSC 602670|Retrovir|Retrovir IV|Retrovis|Thymidine, 3'-azido-3'-deoxy-|Timazid|UNII-4B9XT59T7S|Viro-Z|ZDV|Zido-H|Zidovudin|Zidovudina|Zidovudine|Zidovudinum|ZVD|1350915-89-7|1904592-23-9|2471391-52-1|399024-19-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020127 https://doi.org/10.22427/NTP-DATA-DTXSID8020127
ARPathway2016 ARPathway2016_1128 3'-Azido-3'-deoxythymidine 30516-87-1 DTXSID8020127 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O 3'-Azido-3'-deoxythymidine 30516-87-1|3'-Azido-3'-deoxythymidine|1-(3-Azido-2,3-dideoxy-beta-D-ribofuranosyl)-5-methylpyrimidine-2,4-(1H,3H)-dione|3-Azido-3-deoxythymidine|3'-Azido-3'-desoxythymidine|3'-Azidothymidine|3'-Deoxy-3'-azidothymidine|3'-AZT|Azidothymidine|Azitidin|AZT|AZT (pharmaceutical)|BW-A 509U|Combvir|Compound S|NSC 602670|Retrovir|Retrovir IV|Retrovis|Thymidine, 3'-azido-3'-deoxy-|Timazid|UNII-4B9XT59T7S|Viro-Z|ZDV|Zido-H|Zidovudin|Zidovudina|Zidovudine|Zidovudinum|ZVD|1350915-89-7|1904592-23-9|2471391-52-1|399024-19-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020127 https://doi.org/10.22427/NTP-DATA-DTXSID8020127
ARPathway2016 ARPathway2016_1128 3'-Azido-3'-deoxythymidine 30516-87-1 DTXSID8020127 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O 3'-Azido-3'-deoxythymidine 30516-87-1|3'-Azido-3'-deoxythymidine|1-(3-Azido-2,3-dideoxy-beta-D-ribofuranosyl)-5-methylpyrimidine-2,4-(1H,3H)-dione|3-Azido-3-deoxythymidine|3'-Azido-3'-desoxythymidine|3'-Azidothymidine|3'-Deoxy-3'-azidothymidine|3'-AZT|Azidothymidine|Azitidin|AZT|AZT (pharmaceutical)|BW-A 509U|Combvir|Compound S|NSC 602670|Retrovir|Retrovir IV|Retrovis|Thymidine, 3'-azido-3'-deoxy-|Timazid|UNII-4B9XT59T7S|Viro-Z|ZDV|Zido-H|Zidovudin|Zidovudina|Zidovudine|Zidovudinum|ZVD|1350915-89-7|1904592-23-9|2471391-52-1|399024-19-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020127 https://doi.org/10.22427/NTP-DATA-DTXSID8020127
ERPathway2016 ERPathway2016_1443 3'-Azido-3'-deoxythymidine 30516-87-1 DTXSID8020127 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O 3'-Azido-3'-deoxythymidine 30516-87-1|3'-Azido-3'-deoxythymidine|1-(3-Azido-2,3-dideoxy-beta-D-ribofuranosyl)-5-methylpyrimidine-2,4-(1H,3H)-dione|3-Azido-3-deoxythymidine|3'-Azido-3'-desoxythymidine|3'-Azidothymidine|3'-Deoxy-3'-azidothymidine|3'-AZT|Azidothymidine|Azitidin|AZT|AZT (pharmaceutical)|BW-A 509U|Combvir|Compound S|NSC 602670|Retrovir|Retrovir IV|Retrovis|Thymidine, 3'-azido-3'-deoxy-|Timazid|UNII-4B9XT59T7S|Viro-Z|ZDV|Zido-H|Zidovudin|Zidovudina|Zidovudine|Zidovudinum|ZVD|1350915-89-7|1904592-23-9|2471391-52-1|399024-19-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020127 https://doi.org/10.22427/NTP-DATA-DTXSID8020127
ERPathway2016 ERPathway2016_1443 3'-Azido-3'-deoxythymidine 30516-87-1 DTXSID8020127 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O 3'-Azido-3'-deoxythymidine 30516-87-1|3'-Azido-3'-deoxythymidine|1-(3-Azido-2,3-dideoxy-beta-D-ribofuranosyl)-5-methylpyrimidine-2,4-(1H,3H)-dione|3-Azido-3-deoxythymidine|3'-Azido-3'-desoxythymidine|3'-Azidothymidine|3'-Deoxy-3'-azidothymidine|3'-AZT|Azidothymidine|Azitidin|AZT|AZT (pharmaceutical)|BW-A 509U|Combvir|Compound S|NSC 602670|Retrovir|Retrovir IV|Retrovis|Thymidine, 3'-azido-3'-deoxy-|Timazid|UNII-4B9XT59T7S|Viro-Z|ZDV|Zido-H|Zidovudin|Zidovudina|Zidovudine|Zidovudinum|ZVD|1350915-89-7|1904592-23-9|2471391-52-1|399024-19-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020127 https://doi.org/10.22427/NTP-DATA-DTXSID8020127
ERPathway2016 ERPathway2016_1443 3'-Azido-3'-deoxythymidine 30516-87-1 DTXSID8020127 ER Pathway Model, Agonist Call Inactive Unitless CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O 3'-Azido-3'-deoxythymidine 30516-87-1|3'-Azido-3'-deoxythymidine|1-(3-Azido-2,3-dideoxy-beta-D-ribofuranosyl)-5-methylpyrimidine-2,4-(1H,3H)-dione|3-Azido-3-deoxythymidine|3'-Azido-3'-desoxythymidine|3'-Azidothymidine|3'-Deoxy-3'-azidothymidine|3'-AZT|Azidothymidine|Azitidin|AZT|AZT (pharmaceutical)|BW-A 509U|Combvir|Compound S|NSC 602670|Retrovir|Retrovir IV|Retrovis|Thymidine, 3'-azido-3'-deoxy-|Timazid|UNII-4B9XT59T7S|Viro-Z|ZDV|Zido-H|Zidovudin|Zidovudina|Zidovudine|Zidovudinum|ZVD|1350915-89-7|1904592-23-9|2471391-52-1|399024-19-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020127 https://doi.org/10.22427/NTP-DATA-DTXSID8020127
ERPathway2016 ERPathway2016_1443 3'-Azido-3'-deoxythymidine 30516-87-1 DTXSID8020127 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O 3'-Azido-3'-deoxythymidine 30516-87-1|3'-Azido-3'-deoxythymidine|1-(3-Azido-2,3-dideoxy-beta-D-ribofuranosyl)-5-methylpyrimidine-2,4-(1H,3H)-dione|3-Azido-3-deoxythymidine|3'-Azido-3'-desoxythymidine|3'-Azidothymidine|3'-Deoxy-3'-azidothymidine|3'-AZT|Azidothymidine|Azitidin|AZT|AZT (pharmaceutical)|BW-A 509U|Combvir|Compound S|NSC 602670|Retrovir|Retrovir IV|Retrovis|Thymidine, 3'-azido-3'-deoxy-|Timazid|UNII-4B9XT59T7S|Viro-Z|ZDV|Zido-H|Zidovudin|Zidovudina|Zidovudine|Zidovudinum|ZVD|1350915-89-7|1904592-23-9|2471391-52-1|399024-19-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020127 https://doi.org/10.22427/NTP-DATA-DTXSID8020127
ARPathway2016 ARPathway2016_745 3-Bromo-1-chloro-5,5-dimethylhydantoin 126-06-7 DTXSID7029162 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)N(Cl)C(=O)N(Br)C1=O 3-Bromo-1-chloro-5,5-dimethylhydantoin 126-06-7|3-Bromo-1-chloro-5,5-dimethylhydantoin|1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione|1-Chloro-3-bromo-5,5-dimethylhydantoin|2,4-Imidazolidinedione, 3-bromo-1-chloro-5,5-dimethyl-|3-Brom-1-chlor-5,5-dimethylimidazolidin-2,4-dion|3-BROMO-1-CHLORO-5,5-DIMETHYL HYDANTOIN|3-Bromo-1-chloro-5,5-dimethyl-2,4-imidazolidinedione|3-Bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione|3-bromo-1-cloro-5,5-dimetilimidazolidina-2,4-diona|BRN 0780014|EINECS 204-766-9|HYDANTOIN, 1-CHLORO-3-BROMO-5,5-DIMETHYL-|Hydantoin, 3-bromo-1-chloro-5,5-dimethyl-|UNII-740897W0QL https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029162
ARPathway2016 ARPathway2016_745 3-Bromo-1-chloro-5,5-dimethylhydantoin 126-06-7 DTXSID7029162 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)N(Cl)C(=O)N(Br)C1=O 3-Bromo-1-chloro-5,5-dimethylhydantoin 126-06-7|3-Bromo-1-chloro-5,5-dimethylhydantoin|1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione|1-Chloro-3-bromo-5,5-dimethylhydantoin|2,4-Imidazolidinedione, 3-bromo-1-chloro-5,5-dimethyl-|3-Brom-1-chlor-5,5-dimethylimidazolidin-2,4-dion|3-BROMO-1-CHLORO-5,5-DIMETHYL HYDANTOIN|3-Bromo-1-chloro-5,5-dimethyl-2,4-imidazolidinedione|3-Bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione|3-bromo-1-cloro-5,5-dimetilimidazolidina-2,4-diona|BRN 0780014|EINECS 204-766-9|HYDANTOIN, 1-CHLORO-3-BROMO-5,5-DIMETHYL-|Hydantoin, 3-bromo-1-chloro-5,5-dimethyl-|UNII-740897W0QL https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029162
ARPathway2016 ARPathway2016_745 3-Bromo-1-chloro-5,5-dimethylhydantoin 126-06-7 DTXSID7029162 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)N(Cl)C(=O)N(Br)C1=O 3-Bromo-1-chloro-5,5-dimethylhydantoin 126-06-7|3-Bromo-1-chloro-5,5-dimethylhydantoin|1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione|1-Chloro-3-bromo-5,5-dimethylhydantoin|2,4-Imidazolidinedione, 3-bromo-1-chloro-5,5-dimethyl-|3-Brom-1-chlor-5,5-dimethylimidazolidin-2,4-dion|3-BROMO-1-CHLORO-5,5-DIMETHYL HYDANTOIN|3-Bromo-1-chloro-5,5-dimethyl-2,4-imidazolidinedione|3-Bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione|3-bromo-1-cloro-5,5-dimetilimidazolidina-2,4-diona|BRN 0780014|EINECS 204-766-9|HYDANTOIN, 1-CHLORO-3-BROMO-5,5-DIMETHYL-|Hydantoin, 3-bromo-1-chloro-5,5-dimethyl-|UNII-740897W0QL https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029162
ARPathway2016 ARPathway2016_745 3-Bromo-1-chloro-5,5-dimethylhydantoin 126-06-7 DTXSID7029162 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)N(Cl)C(=O)N(Br)C1=O 3-Bromo-1-chloro-5,5-dimethylhydantoin 126-06-7|3-Bromo-1-chloro-5,5-dimethylhydantoin|1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione|1-Chloro-3-bromo-5,5-dimethylhydantoin|2,4-Imidazolidinedione, 3-bromo-1-chloro-5,5-dimethyl-|3-Brom-1-chlor-5,5-dimethylimidazolidin-2,4-dion|3-BROMO-1-CHLORO-5,5-DIMETHYL HYDANTOIN|3-Bromo-1-chloro-5,5-dimethyl-2,4-imidazolidinedione|3-Bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione|3-bromo-1-cloro-5,5-dimetilimidazolidina-2,4-diona|BRN 0780014|EINECS 204-766-9|HYDANTOIN, 1-CHLORO-3-BROMO-5,5-DIMETHYL-|Hydantoin, 3-bromo-1-chloro-5,5-dimethyl-|UNII-740897W0QL https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029162
ERPathway2016 ERPathway2016_725 3-Bromo-1-chloro-5,5-dimethylhydantoin 126-06-7 DTXSID7029162 A3 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)N(Cl)C(=O)N(Br)C1=O 3-Bromo-1-chloro-5,5-dimethylhydantoin 126-06-7|3-Bromo-1-chloro-5,5-dimethylhydantoin|1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione|1-Chloro-3-bromo-5,5-dimethylhydantoin|2,4-Imidazolidinedione, 3-bromo-1-chloro-5,5-dimethyl-|3-Brom-1-chlor-5,5-dimethylimidazolidin-2,4-dion|3-BROMO-1-CHLORO-5,5-DIMETHYL HYDANTOIN|3-Bromo-1-chloro-5,5-dimethyl-2,4-imidazolidinedione|3-Bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione|3-bromo-1-cloro-5,5-dimetilimidazolidina-2,4-diona|BRN 0780014|EINECS 204-766-9|HYDANTOIN, 1-CHLORO-3-BROMO-5,5-DIMETHYL-|Hydantoin, 3-bromo-1-chloro-5,5-dimethyl-|UNII-740897W0QL https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029162
ERPathway2016 ERPathway2016_725 3-Bromo-1-chloro-5,5-dimethylhydantoin 126-06-7 DTXSID7029162 A3 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)N(Cl)C(=O)N(Br)C1=O 3-Bromo-1-chloro-5,5-dimethylhydantoin 126-06-7|3-Bromo-1-chloro-5,5-dimethylhydantoin|1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione|1-Chloro-3-bromo-5,5-dimethylhydantoin|2,4-Imidazolidinedione, 3-bromo-1-chloro-5,5-dimethyl-|3-Brom-1-chlor-5,5-dimethylimidazolidin-2,4-dion|3-BROMO-1-CHLORO-5,5-DIMETHYL HYDANTOIN|3-Bromo-1-chloro-5,5-dimethyl-2,4-imidazolidinedione|3-Bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione|3-bromo-1-cloro-5,5-dimetilimidazolidina-2,4-diona|BRN 0780014|EINECS 204-766-9|HYDANTOIN, 1-CHLORO-3-BROMO-5,5-DIMETHYL-|Hydantoin, 3-bromo-1-chloro-5,5-dimethyl-|UNII-740897W0QL https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029162
ERPathway2016 ERPathway2016_725 3-Bromo-1-chloro-5,5-dimethylhydantoin 126-06-7 DTXSID7029162 A3 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)N(Cl)C(=O)N(Br)C1=O 3-Bromo-1-chloro-5,5-dimethylhydantoin 126-06-7|3-Bromo-1-chloro-5,5-dimethylhydantoin|1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione|1-Chloro-3-bromo-5,5-dimethylhydantoin|2,4-Imidazolidinedione, 3-bromo-1-chloro-5,5-dimethyl-|3-Brom-1-chlor-5,5-dimethylimidazolidin-2,4-dion|3-BROMO-1-CHLORO-5,5-DIMETHYL HYDANTOIN|3-Bromo-1-chloro-5,5-dimethyl-2,4-imidazolidinedione|3-Bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione|3-bromo-1-cloro-5,5-dimetilimidazolidina-2,4-diona|BRN 0780014|EINECS 204-766-9|HYDANTOIN, 1-CHLORO-3-BROMO-5,5-DIMETHYL-|Hydantoin, 3-bromo-1-chloro-5,5-dimethyl-|UNII-740897W0QL https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029162
ERPathway2016 ERPathway2016_725 3-Bromo-1-chloro-5,5-dimethylhydantoin 126-06-7 DTXSID7029162 A3 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)N(Cl)C(=O)N(Br)C1=O 3-Bromo-1-chloro-5,5-dimethylhydantoin 126-06-7|3-Bromo-1-chloro-5,5-dimethylhydantoin|1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione|1-Chloro-3-bromo-5,5-dimethylhydantoin|2,4-Imidazolidinedione, 3-bromo-1-chloro-5,5-dimethyl-|3-Brom-1-chlor-5,5-dimethylimidazolidin-2,4-dion|3-BROMO-1-CHLORO-5,5-DIMETHYL HYDANTOIN|3-Bromo-1-chloro-5,5-dimethyl-2,4-imidazolidinedione|3-Bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione|3-bromo-1-cloro-5,5-dimetilimidazolidina-2,4-diona|BRN 0780014|EINECS 204-766-9|HYDANTOIN, 1-CHLORO-3-BROMO-5,5-DIMETHYL-|Hydantoin, 3-bromo-1-chloro-5,5-dimethyl-|UNII-740897W0QL https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029162
ARPathway2016 ARPathway2016_1416 3-Bromo-1-propanol 627-18-9 DTXSID3024657 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCCCBr 3-Bromo-1-propanol 627-18-9|3-Bromo-1-propanol|1-Bromo-3-hydroxypropane|1-Bromo-3-propanol|1-Propanol, 3-bromo-|3-Bromopropan-1-ol|3-bromopropane-1-ol|3-Bromopropanol|3-Bromopropyl alcohol|3-Brompropan-1-ol|3-Hydroxypropyl bromide|BRN 0969160|EINECS 210-986-6|PROPANOL, 3-BROMO-|Trimethylene bromohydrin|UNII-3T4AXH68FH https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024657 https://doi.org/10.22427/NTP-DATA-DTXSID3024657
ARPathway2016 ARPathway2016_1416 3-Bromo-1-propanol 627-18-9 DTXSID3024657 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCCCBr 3-Bromo-1-propanol 627-18-9|3-Bromo-1-propanol|1-Bromo-3-hydroxypropane|1-Bromo-3-propanol|1-Propanol, 3-bromo-|3-Bromopropan-1-ol|3-bromopropane-1-ol|3-Bromopropanol|3-Bromopropyl alcohol|3-Brompropan-1-ol|3-Hydroxypropyl bromide|BRN 0969160|EINECS 210-986-6|PROPANOL, 3-BROMO-|Trimethylene bromohydrin|UNII-3T4AXH68FH https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024657 https://doi.org/10.22427/NTP-DATA-DTXSID3024657
ARPathway2016 ARPathway2016_1416 3-Bromo-1-propanol 627-18-9 DTXSID3024657 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCCCBr 3-Bromo-1-propanol 627-18-9|3-Bromo-1-propanol|1-Bromo-3-hydroxypropane|1-Bromo-3-propanol|1-Propanol, 3-bromo-|3-Bromopropan-1-ol|3-bromopropane-1-ol|3-Bromopropanol|3-Bromopropyl alcohol|3-Brompropan-1-ol|3-Hydroxypropyl bromide|BRN 0969160|EINECS 210-986-6|PROPANOL, 3-BROMO-|Trimethylene bromohydrin|UNII-3T4AXH68FH https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024657 https://doi.org/10.22427/NTP-DATA-DTXSID3024657
ARPathway2016 ARPathway2016_1416 3-Bromo-1-propanol 627-18-9 DTXSID3024657 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCCCBr 3-Bromo-1-propanol 627-18-9|3-Bromo-1-propanol|1-Bromo-3-hydroxypropane|1-Bromo-3-propanol|1-Propanol, 3-bromo-|3-Bromopropan-1-ol|3-bromopropane-1-ol|3-Bromopropanol|3-Bromopropyl alcohol|3-Brompropan-1-ol|3-Hydroxypropyl bromide|BRN 0969160|EINECS 210-986-6|PROPANOL, 3-BROMO-|Trimethylene bromohydrin|UNII-3T4AXH68FH https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024657 https://doi.org/10.22427/NTP-DATA-DTXSID3024657
ARPathway2016 ARPathway2016_311 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6 DTXSID0022353 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 28.8580662659648 uM OC1=C(Cl)C=C(C=C1)C1=CC=CC=C1 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6|3-Chloro[1,1'-biphenyl]-4-ol|[1,1'-Biphenyl]-4-ol, 3-chloro-|[1,1'-Biphenyl]-4-ol, 3-chloro-|2-Chloro-4-hydroxybiphenyl|2-Chloro-4-phenylphenol|2-Chloro-p-phenylphenol|202-120-0|3-06-00-03330|3-Chlor-4-hydroxybifenyl|3-Chloro-(1,1-biphenyl)-4-ol|3-Chloro-4-biphenylol|3-Chloro-4-hydroxybiphenyl|3-Chloro-4-hydroxydiphenyl|4-Biphenylol, 3-chloro-|4-Hydroxy-3-chlorobiphenyl|4-Phenyl-2-chlorophenol|BRN 1868370|Caswell No. 209|Dowicide 4|EC No.: 202-120-0|EINECS 202-120-0|EPA Pesticide Chemical Code 062206|NSC 3858|o-Chloro-p-phenylphenol|PC 062206|PC Code 062206|Phenol, 2-chloro-4-phenyl-|Sanidril|UNII-229K1W6JFY https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022353
ARPathway2016 ARPathway2016_311 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6 DTXSID0022353 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 18.7524378142758 uM OC1=C(Cl)C=C(C=C1)C1=CC=CC=C1 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6|3-Chloro[1,1'-biphenyl]-4-ol|[1,1'-Biphenyl]-4-ol, 3-chloro-|[1,1'-Biphenyl]-4-ol, 3-chloro-|2-Chloro-4-hydroxybiphenyl|2-Chloro-4-phenylphenol|2-Chloro-p-phenylphenol|202-120-0|3-06-00-03330|3-Chlor-4-hydroxybifenyl|3-Chloro-(1,1-biphenyl)-4-ol|3-Chloro-4-biphenylol|3-Chloro-4-hydroxybiphenyl|3-Chloro-4-hydroxydiphenyl|4-Biphenylol, 3-chloro-|4-Hydroxy-3-chlorobiphenyl|4-Phenyl-2-chlorophenol|BRN 1868370|Caswell No. 209|Dowicide 4|EC No.: 202-120-0|EINECS 202-120-0|EPA Pesticide Chemical Code 062206|NSC 3858|o-Chloro-p-phenylphenol|PC 062206|PC Code 062206|Phenol, 2-chloro-4-phenyl-|Sanidril|UNII-229K1W6JFY https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022353
ARPathway2016 ARPathway2016_311 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6 DTXSID0022353 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.352 Unitless OC1=C(Cl)C=C(C=C1)C1=CC=CC=C1 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6|3-Chloro[1,1'-biphenyl]-4-ol|[1,1'-Biphenyl]-4-ol, 3-chloro-|[1,1'-Biphenyl]-4-ol, 3-chloro-|2-Chloro-4-hydroxybiphenyl|2-Chloro-4-phenylphenol|2-Chloro-p-phenylphenol|202-120-0|3-06-00-03330|3-Chlor-4-hydroxybifenyl|3-Chloro-(1,1-biphenyl)-4-ol|3-Chloro-4-biphenylol|3-Chloro-4-hydroxybiphenyl|3-Chloro-4-hydroxydiphenyl|4-Biphenylol, 3-chloro-|4-Hydroxy-3-chlorobiphenyl|4-Phenyl-2-chlorophenol|BRN 1868370|Caswell No. 209|Dowicide 4|EC No.: 202-120-0|EINECS 202-120-0|EPA Pesticide Chemical Code 062206|NSC 3858|o-Chloro-p-phenylphenol|PC 062206|PC Code 062206|Phenol, 2-chloro-4-phenyl-|Sanidril|UNII-229K1W6JFY https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022353
ARPathway2016 ARPathway2016_311 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6 DTXSID0022353 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC1=C(Cl)C=C(C=C1)C1=CC=CC=C1 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6|3-Chloro[1,1'-biphenyl]-4-ol|[1,1'-Biphenyl]-4-ol, 3-chloro-|[1,1'-Biphenyl]-4-ol, 3-chloro-|2-Chloro-4-hydroxybiphenyl|2-Chloro-4-phenylphenol|2-Chloro-p-phenylphenol|202-120-0|3-06-00-03330|3-Chlor-4-hydroxybifenyl|3-Chloro-(1,1-biphenyl)-4-ol|3-Chloro-4-biphenylol|3-Chloro-4-hydroxybiphenyl|3-Chloro-4-hydroxydiphenyl|4-Biphenylol, 3-chloro-|4-Hydroxy-3-chlorobiphenyl|4-Phenyl-2-chlorophenol|BRN 1868370|Caswell No. 209|Dowicide 4|EC No.: 202-120-0|EINECS 202-120-0|EPA Pesticide Chemical Code 062206|NSC 3858|o-Chloro-p-phenylphenol|PC 062206|PC Code 062206|Phenol, 2-chloro-4-phenyl-|Sanidril|UNII-229K1W6JFY https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022353
ARPathway2016 ARPathway2016_311 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6 DTXSID0022353 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=C(Cl)C=C(C=C1)C1=CC=CC=C1 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6|3-Chloro[1,1'-biphenyl]-4-ol|[1,1'-Biphenyl]-4-ol, 3-chloro-|[1,1'-Biphenyl]-4-ol, 3-chloro-|2-Chloro-4-hydroxybiphenyl|2-Chloro-4-phenylphenol|2-Chloro-p-phenylphenol|202-120-0|3-06-00-03330|3-Chlor-4-hydroxybifenyl|3-Chloro-(1,1-biphenyl)-4-ol|3-Chloro-4-biphenylol|3-Chloro-4-hydroxybiphenyl|3-Chloro-4-hydroxydiphenyl|4-Biphenylol, 3-chloro-|4-Hydroxy-3-chlorobiphenyl|4-Phenyl-2-chlorophenol|BRN 1868370|Caswell No. 209|Dowicide 4|EC No.: 202-120-0|EINECS 202-120-0|EPA Pesticide Chemical Code 062206|NSC 3858|o-Chloro-p-phenylphenol|PC 062206|PC Code 062206|Phenol, 2-chloro-4-phenyl-|Sanidril|UNII-229K1W6JFY https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022353
ARPathway2016 ARPathway2016_311 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6 DTXSID0022353 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(Cl)C=C(C=C1)C1=CC=CC=C1 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6|3-Chloro[1,1'-biphenyl]-4-ol|[1,1'-Biphenyl]-4-ol, 3-chloro-|[1,1'-Biphenyl]-4-ol, 3-chloro-|2-Chloro-4-hydroxybiphenyl|2-Chloro-4-phenylphenol|2-Chloro-p-phenylphenol|202-120-0|3-06-00-03330|3-Chlor-4-hydroxybifenyl|3-Chloro-(1,1-biphenyl)-4-ol|3-Chloro-4-biphenylol|3-Chloro-4-hydroxybiphenyl|3-Chloro-4-hydroxydiphenyl|4-Biphenylol, 3-chloro-|4-Hydroxy-3-chlorobiphenyl|4-Phenyl-2-chlorophenol|BRN 1868370|Caswell No. 209|Dowicide 4|EC No.: 202-120-0|EINECS 202-120-0|EPA Pesticide Chemical Code 062206|NSC 3858|o-Chloro-p-phenylphenol|PC 062206|PC Code 062206|Phenol, 2-chloro-4-phenyl-|Sanidril|UNII-229K1W6JFY https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022353
ERPathway2016 ERPathway2016_222 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6 DTXSID0022353 Agonist ER Pathway Model, Antagonist AC50 15.9749177504964 uM OC1=C(Cl)C=C(C=C1)C1=CC=CC=C1 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6|3-Chloro[1,1'-biphenyl]-4-ol|[1,1'-Biphenyl]-4-ol, 3-chloro-|[1,1'-Biphenyl]-4-ol, 3-chloro-|2-Chloro-4-hydroxybiphenyl|2-Chloro-4-phenylphenol|2-Chloro-p-phenylphenol|202-120-0|3-06-00-03330|3-Chlor-4-hydroxybifenyl|3-Chloro-(1,1-biphenyl)-4-ol|3-Chloro-4-biphenylol|3-Chloro-4-hydroxybiphenyl|3-Chloro-4-hydroxydiphenyl|4-Biphenylol, 3-chloro-|4-Hydroxy-3-chlorobiphenyl|4-Phenyl-2-chlorophenol|BRN 1868370|Caswell No. 209|Dowicide 4|EC No.: 202-120-0|EINECS 202-120-0|EPA Pesticide Chemical Code 062206|NSC 3858|o-Chloro-p-phenylphenol|PC 062206|PC Code 062206|Phenol, 2-chloro-4-phenyl-|Sanidril|UNII-229K1W6JFY https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022353
ERPathway2016 ERPathway2016_222 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6 DTXSID0022353 Agonist ER Pathway Model, Antagonist ACC 12.4358716582847 uM OC1=C(Cl)C=C(C=C1)C1=CC=CC=C1 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6|3-Chloro[1,1'-biphenyl]-4-ol|[1,1'-Biphenyl]-4-ol, 3-chloro-|[1,1'-Biphenyl]-4-ol, 3-chloro-|2-Chloro-4-hydroxybiphenyl|2-Chloro-4-phenylphenol|2-Chloro-p-phenylphenol|202-120-0|3-06-00-03330|3-Chlor-4-hydroxybifenyl|3-Chloro-(1,1-biphenyl)-4-ol|3-Chloro-4-biphenylol|3-Chloro-4-hydroxybiphenyl|3-Chloro-4-hydroxydiphenyl|4-Biphenylol, 3-chloro-|4-Hydroxy-3-chlorobiphenyl|4-Phenyl-2-chlorophenol|BRN 1868370|Caswell No. 209|Dowicide 4|EC No.: 202-120-0|EINECS 202-120-0|EPA Pesticide Chemical Code 062206|NSC 3858|o-Chloro-p-phenylphenol|PC 062206|PC Code 062206|Phenol, 2-chloro-4-phenyl-|Sanidril|UNII-229K1W6JFY https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022353
ERPathway2016 ERPathway2016_222 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6 DTXSID0022353 Agonist ER Pathway Model, Agonist Model Score 0.138 Unitless OC1=C(Cl)C=C(C=C1)C1=CC=CC=C1 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6|3-Chloro[1,1'-biphenyl]-4-ol|[1,1'-Biphenyl]-4-ol, 3-chloro-|[1,1'-Biphenyl]-4-ol, 3-chloro-|2-Chloro-4-hydroxybiphenyl|2-Chloro-4-phenylphenol|2-Chloro-p-phenylphenol|202-120-0|3-06-00-03330|3-Chlor-4-hydroxybifenyl|3-Chloro-(1,1-biphenyl)-4-ol|3-Chloro-4-biphenylol|3-Chloro-4-hydroxybiphenyl|3-Chloro-4-hydroxydiphenyl|4-Biphenylol, 3-chloro-|4-Hydroxy-3-chlorobiphenyl|4-Phenyl-2-chlorophenol|BRN 1868370|Caswell No. 209|Dowicide 4|EC No.: 202-120-0|EINECS 202-120-0|EPA Pesticide Chemical Code 062206|NSC 3858|o-Chloro-p-phenylphenol|PC 062206|PC Code 062206|Phenol, 2-chloro-4-phenyl-|Sanidril|UNII-229K1W6JFY https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022353
ERPathway2016 ERPathway2016_222 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6 DTXSID0022353 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C(Cl)C=C(C=C1)C1=CC=CC=C1 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6|3-Chloro[1,1'-biphenyl]-4-ol|[1,1'-Biphenyl]-4-ol, 3-chloro-|[1,1'-Biphenyl]-4-ol, 3-chloro-|2-Chloro-4-hydroxybiphenyl|2-Chloro-4-phenylphenol|2-Chloro-p-phenylphenol|202-120-0|3-06-00-03330|3-Chlor-4-hydroxybifenyl|3-Chloro-(1,1-biphenyl)-4-ol|3-Chloro-4-biphenylol|3-Chloro-4-hydroxybiphenyl|3-Chloro-4-hydroxydiphenyl|4-Biphenylol, 3-chloro-|4-Hydroxy-3-chlorobiphenyl|4-Phenyl-2-chlorophenol|BRN 1868370|Caswell No. 209|Dowicide 4|EC No.: 202-120-0|EINECS 202-120-0|EPA Pesticide Chemical Code 062206|NSC 3858|o-Chloro-p-phenylphenol|PC 062206|PC Code 062206|Phenol, 2-chloro-4-phenyl-|Sanidril|UNII-229K1W6JFY https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022353
ERPathway2016 ERPathway2016_222 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6 DTXSID0022353 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC1=C(Cl)C=C(C=C1)C1=CC=CC=C1 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6|3-Chloro[1,1'-biphenyl]-4-ol|[1,1'-Biphenyl]-4-ol, 3-chloro-|[1,1'-Biphenyl]-4-ol, 3-chloro-|2-Chloro-4-hydroxybiphenyl|2-Chloro-4-phenylphenol|2-Chloro-p-phenylphenol|202-120-0|3-06-00-03330|3-Chlor-4-hydroxybifenyl|3-Chloro-(1,1-biphenyl)-4-ol|3-Chloro-4-biphenylol|3-Chloro-4-hydroxybiphenyl|3-Chloro-4-hydroxydiphenyl|4-Biphenylol, 3-chloro-|4-Hydroxy-3-chlorobiphenyl|4-Phenyl-2-chlorophenol|BRN 1868370|Caswell No. 209|Dowicide 4|EC No.: 202-120-0|EINECS 202-120-0|EPA Pesticide Chemical Code 062206|NSC 3858|o-Chloro-p-phenylphenol|PC 062206|PC Code 062206|Phenol, 2-chloro-4-phenyl-|Sanidril|UNII-229K1W6JFY https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022353
ERPathway2016 ERPathway2016_222 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6 DTXSID0022353 Agonist ER Pathway Model, Antagonist Call Active Unitless OC1=C(Cl)C=C(C=C1)C1=CC=CC=C1 3-Chloro[1,1'-biphenyl]-4-ol 92-04-6|3-Chloro[1,1'-biphenyl]-4-ol|[1,1'-Biphenyl]-4-ol, 3-chloro-|[1,1'-Biphenyl]-4-ol, 3-chloro-|2-Chloro-4-hydroxybiphenyl|2-Chloro-4-phenylphenol|2-Chloro-p-phenylphenol|202-120-0|3-06-00-03330|3-Chlor-4-hydroxybifenyl|3-Chloro-(1,1-biphenyl)-4-ol|3-Chloro-4-biphenylol|3-Chloro-4-hydroxybiphenyl|3-Chloro-4-hydroxydiphenyl|4-Biphenylol, 3-chloro-|4-Hydroxy-3-chlorobiphenyl|4-Phenyl-2-chlorophenol|BRN 1868370|Caswell No. 209|Dowicide 4|EC No.: 202-120-0|EINECS 202-120-0|EPA Pesticide Chemical Code 062206|NSC 3858|o-Chloro-p-phenylphenol|PC 062206|PC Code 062206|Phenol, 2-chloro-4-phenyl-|Sanidril|UNII-229K1W6JFY https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022353
ARPathway2016 ARPathway2016_1779 3-Chloro-1,2-propanediol 96-24-2 DTXSID4020664 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless OCC(O)CCl 3-Chloro-1,2-propanediol 96-24-2|3-Chloro-1,2-propanediol|(+/-)-2,3-Dihydroxychloropropane|(+/-)-3-Chloro-1,2-propanediol|(RS)-3-Chloro-1,2-propanediol|(RS)-a-Chlorohydrin|1-Chloro-1-deoxyglycerol|1-Chloro-2-dihydroxypropane|1-Chloro-2,3-dihydroxypropane|1-Chloro-2,3-propanediol|1-Chloropropane-2,3-diol|1,2-Dihydroxy-3-chloropropane|1,2-Propanediol, 3-chloro-|1,2-Propanediol, 3-dichloro-|2,3-Dihydroxypropyl chloride|202-492-4|3-CHLOR-1,2-PROPANDIOL|3-Chloro-1,2-dihydroxypropane|3-Chloro-1,2-propylene glycol|3-Chloropropane-1,2-diol|3-Chloropropanediol|3-Chloropropylene glycol|3-Chlorpropan-1,2-diol|3-cloropropano-1,2-diol|3-MCPD|3-Monochloro-1,2-propanediol|3-Monochloropropane-1,2-diol|4-01-00-02484|alpha-chlorohydrin|alpha-Chlorohydrine|beta,beta'-Dihydroxyisopropyl chloride|BRN 0635684|Caswell No. 214A|Chlorhydrin|chlorodeoxyglycerol|Chlorohydrin|CHLOROPROPANEDIOL|dl-a-Chlorohydrin|EC No.: 202-492-4|EINECS 202-492-4|Ekorod A|EPA Pesticide Chemical Code 117101|Epibloc|Glycerin alpha-monochlorhydrin|Glycerin epichlorohydrin|Glycerin monochlorohydrin|Glycerin a-m|52340-46-2|69420-22-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020664 https://doi.org/10.22427/NTP-DATA-DTXSID4020664
ARPathway2016 ARPathway2016_1779 3-Chloro-1,2-propanediol 96-24-2 DTXSID4020664 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless OCC(O)CCl 3-Chloro-1,2-propanediol 96-24-2|3-Chloro-1,2-propanediol|(+/-)-2,3-Dihydroxychloropropane|(+/-)-3-Chloro-1,2-propanediol|(RS)-3-Chloro-1,2-propanediol|(RS)-a-Chlorohydrin|1-Chloro-1-deoxyglycerol|1-Chloro-2-dihydroxypropane|1-Chloro-2,3-dihydroxypropane|1-Chloro-2,3-propanediol|1-Chloropropane-2,3-diol|1,2-Dihydroxy-3-chloropropane|1,2-Propanediol, 3-chloro-|1,2-Propanediol, 3-dichloro-|2,3-Dihydroxypropyl chloride|202-492-4|3-CHLOR-1,2-PROPANDIOL|3-Chloro-1,2-dihydroxypropane|3-Chloro-1,2-propylene glycol|3-Chloropropane-1,2-diol|3-Chloropropanediol|3-Chloropropylene glycol|3-Chlorpropan-1,2-diol|3-cloropropano-1,2-diol|3-MCPD|3-Monochloro-1,2-propanediol|3-Monochloropropane-1,2-diol|4-01-00-02484|alpha-chlorohydrin|alpha-Chlorohydrine|beta,beta'-Dihydroxyisopropyl chloride|BRN 0635684|Caswell No. 214A|Chlorhydrin|chlorodeoxyglycerol|Chlorohydrin|CHLOROPROPANEDIOL|dl-a-Chlorohydrin|EC No.: 202-492-4|EINECS 202-492-4|Ekorod A|EPA Pesticide Chemical Code 117101|Epibloc|Glycerin alpha-monochlorhydrin|Glycerin epichlorohydrin|Glycerin monochlorohydrin|Glycerin a-m|52340-46-2|69420-22-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020664 https://doi.org/10.22427/NTP-DATA-DTXSID4020664
ARPathway2016 ARPathway2016_1779 3-Chloro-1,2-propanediol 96-24-2 DTXSID4020664 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless OCC(O)CCl 3-Chloro-1,2-propanediol 96-24-2|3-Chloro-1,2-propanediol|(+/-)-2,3-Dihydroxychloropropane|(+/-)-3-Chloro-1,2-propanediol|(RS)-3-Chloro-1,2-propanediol|(RS)-a-Chlorohydrin|1-Chloro-1-deoxyglycerol|1-Chloro-2-dihydroxypropane|1-Chloro-2,3-dihydroxypropane|1-Chloro-2,3-propanediol|1-Chloropropane-2,3-diol|1,2-Dihydroxy-3-chloropropane|1,2-Propanediol, 3-chloro-|1,2-Propanediol, 3-dichloro-|2,3-Dihydroxypropyl chloride|202-492-4|3-CHLOR-1,2-PROPANDIOL|3-Chloro-1,2-dihydroxypropane|3-Chloro-1,2-propylene glycol|3-Chloropropane-1,2-diol|3-Chloropropanediol|3-Chloropropylene glycol|3-Chlorpropan-1,2-diol|3-cloropropano-1,2-diol|3-MCPD|3-Monochloro-1,2-propanediol|3-Monochloropropane-1,2-diol|4-01-00-02484|alpha-chlorohydrin|alpha-Chlorohydrine|beta,beta'-Dihydroxyisopropyl chloride|BRN 0635684|Caswell No. 214A|Chlorhydrin|chlorodeoxyglycerol|Chlorohydrin|CHLOROPROPANEDIOL|dl-a-Chlorohydrin|EC No.: 202-492-4|EINECS 202-492-4|Ekorod A|EPA Pesticide Chemical Code 117101|Epibloc|Glycerin alpha-monochlorhydrin|Glycerin epichlorohydrin|Glycerin monochlorohydrin|Glycerin a-m|52340-46-2|69420-22-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020664 https://doi.org/10.22427/NTP-DATA-DTXSID4020664
ARPathway2016 ARPathway2016_1779 3-Chloro-1,2-propanediol 96-24-2 DTXSID4020664 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless OCC(O)CCl 3-Chloro-1,2-propanediol 96-24-2|3-Chloro-1,2-propanediol|(+/-)-2,3-Dihydroxychloropropane|(+/-)-3-Chloro-1,2-propanediol|(RS)-3-Chloro-1,2-propanediol|(RS)-a-Chlorohydrin|1-Chloro-1-deoxyglycerol|1-Chloro-2-dihydroxypropane|1-Chloro-2,3-dihydroxypropane|1-Chloro-2,3-propanediol|1-Chloropropane-2,3-diol|1,2-Dihydroxy-3-chloropropane|1,2-Propanediol, 3-chloro-|1,2-Propanediol, 3-dichloro-|2,3-Dihydroxypropyl chloride|202-492-4|3-CHLOR-1,2-PROPANDIOL|3-Chloro-1,2-dihydroxypropane|3-Chloro-1,2-propylene glycol|3-Chloropropane-1,2-diol|3-Chloropropanediol|3-Chloropropylene glycol|3-Chlorpropan-1,2-diol|3-cloropropano-1,2-diol|3-MCPD|3-Monochloro-1,2-propanediol|3-Monochloropropane-1,2-diol|4-01-00-02484|alpha-chlorohydrin|alpha-Chlorohydrine|beta,beta'-Dihydroxyisopropyl chloride|BRN 0635684|Caswell No. 214A|Chlorhydrin|chlorodeoxyglycerol|Chlorohydrin|CHLOROPROPANEDIOL|dl-a-Chlorohydrin|EC No.: 202-492-4|EINECS 202-492-4|Ekorod A|EPA Pesticide Chemical Code 117101|Epibloc|Glycerin alpha-monochlorhydrin|Glycerin epichlorohydrin|Glycerin monochlorohydrin|Glycerin a-m|52340-46-2|69420-22-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020664 https://doi.org/10.22427/NTP-DATA-DTXSID4020664
ERPathway2016 ERPathway2016_1777 3-Chloro-1,2-propanediol 96-24-2 DTXSID4020664 ER Pathway Model, Agonist Model Score 0 Unitless OCC(O)CCl 3-Chloro-1,2-propanediol 96-24-2|3-Chloro-1,2-propanediol|(+/-)-2,3-Dihydroxychloropropane|(+/-)-3-Chloro-1,2-propanediol|(RS)-3-Chloro-1,2-propanediol|(RS)-a-Chlorohydrin|1-Chloro-1-deoxyglycerol|1-Chloro-2-dihydroxypropane|1-Chloro-2,3-dihydroxypropane|1-Chloro-2,3-propanediol|1-Chloropropane-2,3-diol|1,2-Dihydroxy-3-chloropropane|1,2-Propanediol, 3-chloro-|1,2-Propanediol, 3-dichloro-|2,3-Dihydroxypropyl chloride|202-492-4|3-CHLOR-1,2-PROPANDIOL|3-Chloro-1,2-dihydroxypropane|3-Chloro-1,2-propylene glycol|3-Chloropropane-1,2-diol|3-Chloropropanediol|3-Chloropropylene glycol|3-Chlorpropan-1,2-diol|3-cloropropano-1,2-diol|3-MCPD|3-Monochloro-1,2-propanediol|3-Monochloropropane-1,2-diol|4-01-00-02484|alpha-chlorohydrin|alpha-Chlorohydrine|beta,beta'-Dihydroxyisopropyl chloride|BRN 0635684|Caswell No. 214A|Chlorhydrin|chlorodeoxyglycerol|Chlorohydrin|CHLOROPROPANEDIOL|dl-a-Chlorohydrin|EC No.: 202-492-4|EINECS 202-492-4|Ekorod A|EPA Pesticide Chemical Code 117101|Epibloc|Glycerin alpha-monochlorhydrin|Glycerin epichlorohydrin|Glycerin monochlorohydrin|Glycerin a-m|52340-46-2|69420-22-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020664 https://doi.org/10.22427/NTP-DATA-DTXSID4020664
ERPathway2016 ERPathway2016_1777 3-Chloro-1,2-propanediol 96-24-2 DTXSID4020664 ER Pathway Model, Antagonist Model Score 0 Unitless OCC(O)CCl 3-Chloro-1,2-propanediol 96-24-2|3-Chloro-1,2-propanediol|(+/-)-2,3-Dihydroxychloropropane|(+/-)-3-Chloro-1,2-propanediol|(RS)-3-Chloro-1,2-propanediol|(RS)-a-Chlorohydrin|1-Chloro-1-deoxyglycerol|1-Chloro-2-dihydroxypropane|1-Chloro-2,3-dihydroxypropane|1-Chloro-2,3-propanediol|1-Chloropropane-2,3-diol|1,2-Dihydroxy-3-chloropropane|1,2-Propanediol, 3-chloro-|1,2-Propanediol, 3-dichloro-|2,3-Dihydroxypropyl chloride|202-492-4|3-CHLOR-1,2-PROPANDIOL|3-Chloro-1,2-dihydroxypropane|3-Chloro-1,2-propylene glycol|3-Chloropropane-1,2-diol|3-Chloropropanediol|3-Chloropropylene glycol|3-Chlorpropan-1,2-diol|3-cloropropano-1,2-diol|3-MCPD|3-Monochloro-1,2-propanediol|3-Monochloropropane-1,2-diol|4-01-00-02484|alpha-chlorohydrin|alpha-Chlorohydrine|beta,beta'-Dihydroxyisopropyl chloride|BRN 0635684|Caswell No. 214A|Chlorhydrin|chlorodeoxyglycerol|Chlorohydrin|CHLOROPROPANEDIOL|dl-a-Chlorohydrin|EC No.: 202-492-4|EINECS 202-492-4|Ekorod A|EPA Pesticide Chemical Code 117101|Epibloc|Glycerin alpha-monochlorhydrin|Glycerin epichlorohydrin|Glycerin monochlorohydrin|Glycerin a-m|52340-46-2|69420-22-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020664 https://doi.org/10.22427/NTP-DATA-DTXSID4020664
ERPathway2016 ERPathway2016_1777 3-Chloro-1,2-propanediol 96-24-2 DTXSID4020664 ER Pathway Model, Agonist Call Inactive Unitless OCC(O)CCl 3-Chloro-1,2-propanediol 96-24-2|3-Chloro-1,2-propanediol|(+/-)-2,3-Dihydroxychloropropane|(+/-)-3-Chloro-1,2-propanediol|(RS)-3-Chloro-1,2-propanediol|(RS)-a-Chlorohydrin|1-Chloro-1-deoxyglycerol|1-Chloro-2-dihydroxypropane|1-Chloro-2,3-dihydroxypropane|1-Chloro-2,3-propanediol|1-Chloropropane-2,3-diol|1,2-Dihydroxy-3-chloropropane|1,2-Propanediol, 3-chloro-|1,2-Propanediol, 3-dichloro-|2,3-Dihydroxypropyl chloride|202-492-4|3-CHLOR-1,2-PROPANDIOL|3-Chloro-1,2-dihydroxypropane|3-Chloro-1,2-propylene glycol|3-Chloropropane-1,2-diol|3-Chloropropanediol|3-Chloropropylene glycol|3-Chlorpropan-1,2-diol|3-cloropropano-1,2-diol|3-MCPD|3-Monochloro-1,2-propanediol|3-Monochloropropane-1,2-diol|4-01-00-02484|alpha-chlorohydrin|alpha-Chlorohydrine|beta,beta'-Dihydroxyisopropyl chloride|BRN 0635684|Caswell No. 214A|Chlorhydrin|chlorodeoxyglycerol|Chlorohydrin|CHLOROPROPANEDIOL|dl-a-Chlorohydrin|EC No.: 202-492-4|EINECS 202-492-4|Ekorod A|EPA Pesticide Chemical Code 117101|Epibloc|Glycerin alpha-monochlorhydrin|Glycerin epichlorohydrin|Glycerin monochlorohydrin|Glycerin a-m|52340-46-2|69420-22-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020664 https://doi.org/10.22427/NTP-DATA-DTXSID4020664
ERPathway2016 ERPathway2016_1777 3-Chloro-1,2-propanediol 96-24-2 DTXSID4020664 ER Pathway Model, Antagonist Call Inactive Unitless OCC(O)CCl 3-Chloro-1,2-propanediol 96-24-2|3-Chloro-1,2-propanediol|(+/-)-2,3-Dihydroxychloropropane|(+/-)-3-Chloro-1,2-propanediol|(RS)-3-Chloro-1,2-propanediol|(RS)-a-Chlorohydrin|1-Chloro-1-deoxyglycerol|1-Chloro-2-dihydroxypropane|1-Chloro-2,3-dihydroxypropane|1-Chloro-2,3-propanediol|1-Chloropropane-2,3-diol|1,2-Dihydroxy-3-chloropropane|1,2-Propanediol, 3-chloro-|1,2-Propanediol, 3-dichloro-|2,3-Dihydroxypropyl chloride|202-492-4|3-CHLOR-1,2-PROPANDIOL|3-Chloro-1,2-dihydroxypropane|3-Chloro-1,2-propylene glycol|3-Chloropropane-1,2-diol|3-Chloropropanediol|3-Chloropropylene glycol|3-Chlorpropan-1,2-diol|3-cloropropano-1,2-diol|3-MCPD|3-Monochloro-1,2-propanediol|3-Monochloropropane-1,2-diol|4-01-00-02484|alpha-chlorohydrin|alpha-Chlorohydrine|beta,beta'-Dihydroxyisopropyl chloride|BRN 0635684|Caswell No. 214A|Chlorhydrin|chlorodeoxyglycerol|Chlorohydrin|CHLOROPROPANEDIOL|dl-a-Chlorohydrin|EC No.: 202-492-4|EINECS 202-492-4|Ekorod A|EPA Pesticide Chemical Code 117101|Epibloc|Glycerin alpha-monochlorhydrin|Glycerin epichlorohydrin|Glycerin monochlorohydrin|Glycerin a-m|52340-46-2|69420-22-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020664 https://doi.org/10.22427/NTP-DATA-DTXSID4020664
ARPathway2016 ARPathway2016_338 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1 DTXSID0047379 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 11.5731963870455 uM Cl.CCN(CC1=CC=CN=C1)C(=O)C1=CC=CC(Cl)=C1[C@]1(C)C(=O)N(CC2=C(OC)C=C(OC)C=C2)C2=CC=C(Cl)C=C12 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1|3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1)|Benzamide, 3-chloro-2-[(3R )-5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-3-methyl-2-oxo-1H -indol-3-yl]-N -ethyl-N -(3-pyridiny lmethyl)-, hydrochloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047379
ARPathway2016 ARPathway2016_338 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1 DTXSID0047379 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 7.93554016399999 uM Cl.CCN(CC1=CC=CN=C1)C(=O)C1=CC=CC(Cl)=C1[C@]1(C)C(=O)N(CC2=C(OC)C=C(OC)C=C2)C2=CC=C(Cl)C=C12 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1|3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1)|Benzamide, 3-chloro-2-[(3R )-5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-3-methyl-2-oxo-1H -indol-3-yl]-N -ethyl-N -(3-pyridiny lmethyl)-, hydrochloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047379
ARPathway2016 ARPathway2016_338 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1 DTXSID0047379 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.217 Unitless Cl.CCN(CC1=CC=CN=C1)C(=O)C1=CC=CC(Cl)=C1[C@]1(C)C(=O)N(CC2=C(OC)C=C(OC)C=C2)C2=CC=C(Cl)C=C12 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1|3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1)|Benzamide, 3-chloro-2-[(3R )-5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-3-methyl-2-oxo-1H -indol-3-yl]-N -ethyl-N -(3-pyridiny lmethyl)-, hydrochloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047379
ARPathway2016 ARPathway2016_338 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1 DTXSID0047379 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless Cl.CCN(CC1=CC=CN=C1)C(=O)C1=CC=CC(Cl)=C1[C@]1(C)C(=O)N(CC2=C(OC)C=C(OC)C=C2)C2=CC=C(Cl)C=C12 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1|3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1)|Benzamide, 3-chloro-2-[(3R )-5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-3-methyl-2-oxo-1H -indol-3-yl]-N -ethyl-N -(3-pyridiny lmethyl)-, hydrochloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047379
ARPathway2016 ARPathway2016_338 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1 DTXSID0047379 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Cl.CCN(CC1=CC=CN=C1)C(=O)C1=CC=CC(Cl)=C1[C@]1(C)C(=O)N(CC2=C(OC)C=C(OC)C=C2)C2=CC=C(Cl)C=C12 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1|3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1)|Benzamide, 3-chloro-2-[(3R )-5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-3-methyl-2-oxo-1H -indol-3-yl]-N -ethyl-N -(3-pyridiny lmethyl)-, hydrochloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047379
ARPathway2016 ARPathway2016_338 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1 DTXSID0047379 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Cl.CCN(CC1=CC=CN=C1)C(=O)C1=CC=CC(Cl)=C1[C@]1(C)C(=O)N(CC2=C(OC)C=C(OC)C=C2)C2=CC=C(Cl)C=C12 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1|3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1)|Benzamide, 3-chloro-2-[(3R )-5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-3-methyl-2-oxo-1H -indol-3-yl]-N -ethyl-N -(3-pyridiny lmethyl)-, hydrochloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047379
ERPathway2016 ERPathway2016_562 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1 DTXSID0047379 R9 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CCN(CC1=CC=CN=C1)C(=O)C1=CC=CC(Cl)=C1[C@]1(C)C(=O)N(CC2=C(OC)C=C(OC)C=C2)C2=CC=C(Cl)C=C12 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1|3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1)|Benzamide, 3-chloro-2-[(3R )-5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-3-methyl-2-oxo-1H -indol-3-yl]-N -ethyl-N -(3-pyridiny lmethyl)-, hydrochloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047379
ERPathway2016 ERPathway2016_562 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1 DTXSID0047379 R9 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CCN(CC1=CC=CN=C1)C(=O)C1=CC=CC(Cl)=C1[C@]1(C)C(=O)N(CC2=C(OC)C=C(OC)C=C2)C2=CC=C(Cl)C=C12 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1|3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1)|Benzamide, 3-chloro-2-[(3R )-5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-3-methyl-2-oxo-1H -indol-3-yl]-N -ethyl-N -(3-pyridiny lmethyl)-, hydrochloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047379
ERPathway2016 ERPathway2016_562 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1 DTXSID0047379 R9 ER Pathway Model, Agonist Call Inactive Unitless Cl.CCN(CC1=CC=CN=C1)C(=O)C1=CC=CC(Cl)=C1[C@]1(C)C(=O)N(CC2=C(OC)C=C(OC)C=C2)C2=CC=C(Cl)C=C12 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1|3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1)|Benzamide, 3-chloro-2-[(3R )-5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-3-methyl-2-oxo-1H -indol-3-yl]-N -ethyl-N -(3-pyridiny lmethyl)-, hydrochloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047379
ERPathway2016 ERPathway2016_562 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1 DTXSID0047379 R9 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CCN(CC1=CC=CN=C1)C(=O)C1=CC=CC(Cl)=C1[C@]1(C)C(=O)N(CC2=C(OC)C=C(OC)C=C2)C2=CC=C(Cl)C=C12 3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1) 1437319-51-1|3-Chloro-2-((3R)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(3-pyridinylmethyl)benzamide hydrochloride (1:1)|Benzamide, 3-chloro-2-[(3R )-5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-3-methyl-2-oxo-1H -indol-3-yl]-N -ethyl-N -(3-pyridiny lmethyl)-, hydrochloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047379
ARPathway2016 ARPathway2016_1767 3-Chloro-4-methylaniline 95-74-9 DTXSID0020286 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(Cl)C=C(N)C=C1 3-Chloro-4-methylaniline 95-74-9|3-Chloro-4-methylaniline|1-Amino-3-chloro-4-methylbenzene|2-Chloro-4-aminotoluene|3-Chloro-4-methylbenzenamine|3-Chloro-4-methylphenylamine|3-Chloro-p-toluidine|4-12-00-01985|4-Methyl-3-chloroaniline|Benzenamine, 3-chloro-4-methyl-|BRN 0636511|EINECS 202-446-3|NCI-C02040|NSC 96620 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020286 https://doi.org/10.22427/NTP-DATA-DTXSID0020286
ARPathway2016 ARPathway2016_1767 3-Chloro-4-methylaniline 95-74-9 DTXSID0020286 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(Cl)C=C(N)C=C1 3-Chloro-4-methylaniline 95-74-9|3-Chloro-4-methylaniline|1-Amino-3-chloro-4-methylbenzene|2-Chloro-4-aminotoluene|3-Chloro-4-methylbenzenamine|3-Chloro-4-methylphenylamine|3-Chloro-p-toluidine|4-12-00-01985|4-Methyl-3-chloroaniline|Benzenamine, 3-chloro-4-methyl-|BRN 0636511|EINECS 202-446-3|NCI-C02040|NSC 96620 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020286 https://doi.org/10.22427/NTP-DATA-DTXSID0020286
ARPathway2016 ARPathway2016_1767 3-Chloro-4-methylaniline 95-74-9 DTXSID0020286 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(Cl)C=C(N)C=C1 3-Chloro-4-methylaniline 95-74-9|3-Chloro-4-methylaniline|1-Amino-3-chloro-4-methylbenzene|2-Chloro-4-aminotoluene|3-Chloro-4-methylbenzenamine|3-Chloro-4-methylphenylamine|3-Chloro-p-toluidine|4-12-00-01985|4-Methyl-3-chloroaniline|Benzenamine, 3-chloro-4-methyl-|BRN 0636511|EINECS 202-446-3|NCI-C02040|NSC 96620 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020286 https://doi.org/10.22427/NTP-DATA-DTXSID0020286
ARPathway2016 ARPathway2016_1767 3-Chloro-4-methylaniline 95-74-9 DTXSID0020286 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(Cl)C=C(N)C=C1 3-Chloro-4-methylaniline 95-74-9|3-Chloro-4-methylaniline|1-Amino-3-chloro-4-methylbenzene|2-Chloro-4-aminotoluene|3-Chloro-4-methylbenzenamine|3-Chloro-4-methylphenylamine|3-Chloro-p-toluidine|4-12-00-01985|4-Methyl-3-chloroaniline|Benzenamine, 3-chloro-4-methyl-|BRN 0636511|EINECS 202-446-3|NCI-C02040|NSC 96620 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020286 https://doi.org/10.22427/NTP-DATA-DTXSID0020286
ERPathway2016 ERPathway2016_37 3-Chloro-4-methylaniline 95-74-9 DTXSID0020286 ER Pathway Model, Agonist AC50 12.7368661210521 uM CC1=C(Cl)C=C(N)C=C1 3-Chloro-4-methylaniline 95-74-9|3-Chloro-4-methylaniline|1-Amino-3-chloro-4-methylbenzene|2-Chloro-4-aminotoluene|3-Chloro-4-methylbenzenamine|3-Chloro-4-methylphenylamine|3-Chloro-p-toluidine|4-12-00-01985|4-Methyl-3-chloroaniline|Benzenamine, 3-chloro-4-methyl-|BRN 0636511|EINECS 202-446-3|NCI-C02040|NSC 96620 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020286 https://doi.org/10.22427/NTP-DATA-DTXSID0020286
ERPathway2016 ERPathway2016_37 3-Chloro-4-methylaniline 95-74-9 DTXSID0020286 ER Pathway Model, Agonist ACC 15.1692080821704 uM CC1=C(Cl)C=C(N)C=C1 3-Chloro-4-methylaniline 95-74-9|3-Chloro-4-methylaniline|1-Amino-3-chloro-4-methylbenzene|2-Chloro-4-aminotoluene|3-Chloro-4-methylbenzenamine|3-Chloro-4-methylphenylamine|3-Chloro-p-toluidine|4-12-00-01985|4-Methyl-3-chloroaniline|Benzenamine, 3-chloro-4-methyl-|BRN 0636511|EINECS 202-446-3|NCI-C02040|NSC 96620 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020286 https://doi.org/10.22427/NTP-DATA-DTXSID0020286
ERPathway2016 ERPathway2016_37 3-Chloro-4-methylaniline 95-74-9 DTXSID0020286 ER Pathway Model, Agonist Model Score 0.00428 Unitless CC1=C(Cl)C=C(N)C=C1 3-Chloro-4-methylaniline 95-74-9|3-Chloro-4-methylaniline|1-Amino-3-chloro-4-methylbenzene|2-Chloro-4-aminotoluene|3-Chloro-4-methylbenzenamine|3-Chloro-4-methylphenylamine|3-Chloro-p-toluidine|4-12-00-01985|4-Methyl-3-chloroaniline|Benzenamine, 3-chloro-4-methyl-|BRN 0636511|EINECS 202-446-3|NCI-C02040|NSC 96620 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020286 https://doi.org/10.22427/NTP-DATA-DTXSID0020286
ERPathway2016 ERPathway2016_37 3-Chloro-4-methylaniline 95-74-9 DTXSID0020286 ER Pathway Model, Antagonist Model Score 0.012 Unitless CC1=C(Cl)C=C(N)C=C1 3-Chloro-4-methylaniline 95-74-9|3-Chloro-4-methylaniline|1-Amino-3-chloro-4-methylbenzene|2-Chloro-4-aminotoluene|3-Chloro-4-methylbenzenamine|3-Chloro-4-methylphenylamine|3-Chloro-p-toluidine|4-12-00-01985|4-Methyl-3-chloroaniline|Benzenamine, 3-chloro-4-methyl-|BRN 0636511|EINECS 202-446-3|NCI-C02040|NSC 96620 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020286 https://doi.org/10.22427/NTP-DATA-DTXSID0020286
ERPathway2016 ERPathway2016_37 3-Chloro-4-methylaniline 95-74-9 DTXSID0020286 ER Pathway Model, Agonist Call Active Unitless CC1=C(Cl)C=C(N)C=C1 3-Chloro-4-methylaniline 95-74-9|3-Chloro-4-methylaniline|1-Amino-3-chloro-4-methylbenzene|2-Chloro-4-aminotoluene|3-Chloro-4-methylbenzenamine|3-Chloro-4-methylphenylamine|3-Chloro-p-toluidine|4-12-00-01985|4-Methyl-3-chloroaniline|Benzenamine, 3-chloro-4-methyl-|BRN 0636511|EINECS 202-446-3|NCI-C02040|NSC 96620 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020286 https://doi.org/10.22427/NTP-DATA-DTXSID0020286
ERPathway2016 ERPathway2016_37 3-Chloro-4-methylaniline 95-74-9 DTXSID0020286 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(Cl)C=C(N)C=C1 3-Chloro-4-methylaniline 95-74-9|3-Chloro-4-methylaniline|1-Amino-3-chloro-4-methylbenzene|2-Chloro-4-aminotoluene|3-Chloro-4-methylbenzenamine|3-Chloro-4-methylphenylamine|3-Chloro-p-toluidine|4-12-00-01985|4-Methyl-3-chloroaniline|Benzenamine, 3-chloro-4-methyl-|BRN 0636511|EINECS 202-446-3|NCI-C02040|NSC 96620 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020286 https://doi.org/10.22427/NTP-DATA-DTXSID0020286
ARPathway2016 ARPathway2016_1811 3-Dimethylaminophenol 99-07-0 DTXSID0025101 1.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)C1=CC=CC(O)=C1 3-Dimethylaminophenol 99-07-0|3-Dimethylaminophenol|(3-Hydroxyphenyl)dimethylamine|3-(Dimethylamino)phenol|3-Hydroxy-N,N-dimethylaniline|3-N,N-Dimethylaminophenol|EINECS 202-727-0|m-(Dimethylamino)phenol|m-(N,N-Dimethylamino)phenol|N,N-Dimethyl-m-aminophenol|NSC 62017|Phenol, 3-(dimethylamino)-|Phenol, m-(dimethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025101 https://doi.org/10.22427/NTP-DATA-DTXSID0025101
ARPathway2016 ARPathway2016_1811 3-Dimethylaminophenol 99-07-0 DTXSID0025101 1.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C1=CC=CC(O)=C1 3-Dimethylaminophenol 99-07-0|3-Dimethylaminophenol|(3-Hydroxyphenyl)dimethylamine|3-(Dimethylamino)phenol|3-Hydroxy-N,N-dimethylaniline|3-N,N-Dimethylaminophenol|EINECS 202-727-0|m-(Dimethylamino)phenol|m-(N,N-Dimethylamino)phenol|N,N-Dimethyl-m-aminophenol|NSC 62017|Phenol, 3-(dimethylamino)-|Phenol, m-(dimethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025101 https://doi.org/10.22427/NTP-DATA-DTXSID0025101
ARPathway2016 ARPathway2016_1811 3-Dimethylaminophenol 99-07-0 DTXSID0025101 1.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CN(C)C1=CC=CC(O)=C1 3-Dimethylaminophenol 99-07-0|3-Dimethylaminophenol|(3-Hydroxyphenyl)dimethylamine|3-(Dimethylamino)phenol|3-Hydroxy-N,N-dimethylaniline|3-N,N-Dimethylaminophenol|EINECS 202-727-0|m-(Dimethylamino)phenol|m-(N,N-Dimethylamino)phenol|N,N-Dimethyl-m-aminophenol|NSC 62017|Phenol, 3-(dimethylamino)-|Phenol, m-(dimethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025101 https://doi.org/10.22427/NTP-DATA-DTXSID0025101
ARPathway2016 ARPathway2016_1811 3-Dimethylaminophenol 99-07-0 DTXSID0025101 1.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C1=CC=CC(O)=C1 3-Dimethylaminophenol 99-07-0|3-Dimethylaminophenol|(3-Hydroxyphenyl)dimethylamine|3-(Dimethylamino)phenol|3-Hydroxy-N,N-dimethylaniline|3-N,N-Dimethylaminophenol|EINECS 202-727-0|m-(Dimethylamino)phenol|m-(N,N-Dimethylamino)phenol|N,N-Dimethyl-m-aminophenol|NSC 62017|Phenol, 3-(dimethylamino)-|Phenol, m-(dimethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025101 https://doi.org/10.22427/NTP-DATA-DTXSID0025101
ERPathway2016 ERPathway2016_424 3-Dimethylaminophenol 99-07-0 DTXSID0025101 ER Pathway Model, Antagonist AC50 33.5252449456862 uM CN(C)C1=CC=CC(O)=C1 3-Dimethylaminophenol 99-07-0|3-Dimethylaminophenol|(3-Hydroxyphenyl)dimethylamine|3-(Dimethylamino)phenol|3-Hydroxy-N,N-dimethylaniline|3-N,N-Dimethylaminophenol|EINECS 202-727-0|m-(Dimethylamino)phenol|m-(N,N-Dimethylamino)phenol|N,N-Dimethyl-m-aminophenol|NSC 62017|Phenol, 3-(dimethylamino)-|Phenol, m-(dimethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025101 https://doi.org/10.22427/NTP-DATA-DTXSID0025101
ERPathway2016 ERPathway2016_424 3-Dimethylaminophenol 99-07-0 DTXSID0025101 ER Pathway Model, Antagonist ACC 33.4247561771746 uM CN(C)C1=CC=CC(O)=C1 3-Dimethylaminophenol 99-07-0|3-Dimethylaminophenol|(3-Hydroxyphenyl)dimethylamine|3-(Dimethylamino)phenol|3-Hydroxy-N,N-dimethylaniline|3-N,N-Dimethylaminophenol|EINECS 202-727-0|m-(Dimethylamino)phenol|m-(N,N-Dimethylamino)phenol|N,N-Dimethyl-m-aminophenol|NSC 62017|Phenol, 3-(dimethylamino)-|Phenol, m-(dimethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025101 https://doi.org/10.22427/NTP-DATA-DTXSID0025101
ERPathway2016 ERPathway2016_424 3-Dimethylaminophenol 99-07-0 DTXSID0025101 ER Pathway Model, Agonist Model Score 0.00715 Unitless CN(C)C1=CC=CC(O)=C1 3-Dimethylaminophenol 99-07-0|3-Dimethylaminophenol|(3-Hydroxyphenyl)dimethylamine|3-(Dimethylamino)phenol|3-Hydroxy-N,N-dimethylaniline|3-N,N-Dimethylaminophenol|EINECS 202-727-0|m-(Dimethylamino)phenol|m-(N,N-Dimethylamino)phenol|N,N-Dimethyl-m-aminophenol|NSC 62017|Phenol, 3-(dimethylamino)-|Phenol, m-(dimethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025101 https://doi.org/10.22427/NTP-DATA-DTXSID0025101
ERPathway2016 ERPathway2016_424 3-Dimethylaminophenol 99-07-0 DTXSID0025101 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C1=CC=CC(O)=C1 3-Dimethylaminophenol 99-07-0|3-Dimethylaminophenol|(3-Hydroxyphenyl)dimethylamine|3-(Dimethylamino)phenol|3-Hydroxy-N,N-dimethylaniline|3-N,N-Dimethylaminophenol|EINECS 202-727-0|m-(Dimethylamino)phenol|m-(N,N-Dimethylamino)phenol|N,N-Dimethyl-m-aminophenol|NSC 62017|Phenol, 3-(dimethylamino)-|Phenol, m-(dimethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025101 https://doi.org/10.22427/NTP-DATA-DTXSID0025101
ERPathway2016 ERPathway2016_424 3-Dimethylaminophenol 99-07-0 DTXSID0025101 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C1=CC=CC(O)=C1 3-Dimethylaminophenol 99-07-0|3-Dimethylaminophenol|(3-Hydroxyphenyl)dimethylamine|3-(Dimethylamino)phenol|3-Hydroxy-N,N-dimethylaniline|3-N,N-Dimethylaminophenol|EINECS 202-727-0|m-(Dimethylamino)phenol|m-(N,N-Dimethylamino)phenol|N,N-Dimethyl-m-aminophenol|NSC 62017|Phenol, 3-(dimethylamino)-|Phenol, m-(dimethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025101 https://doi.org/10.22427/NTP-DATA-DTXSID0025101
ERPathway2016 ERPathway2016_424 3-Dimethylaminophenol 99-07-0 DTXSID0025101 ER Pathway Model, Antagonist Call Active Unitless CN(C)C1=CC=CC(O)=C1 3-Dimethylaminophenol 99-07-0|3-Dimethylaminophenol|(3-Hydroxyphenyl)dimethylamine|3-(Dimethylamino)phenol|3-Hydroxy-N,N-dimethylaniline|3-N,N-Dimethylaminophenol|EINECS 202-727-0|m-(Dimethylamino)phenol|m-(N,N-Dimethylamino)phenol|N,N-Dimethyl-m-aminophenol|NSC 62017|Phenol, 3-(dimethylamino)-|Phenol, m-(dimethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025101 https://doi.org/10.22427/NTP-DATA-DTXSID0025101
ARPathway2016 ARPathway2016_685 3-Ethoxy-4-hydroxybenzaldehyde 121-32-4 DTXSID5021968 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC1=C(O)C=CC(C=O)=C1 3-Ethoxy-4-hydroxybenzaldehyde 121-32-4|3-Ethoxy-4-hydroxybenzaldehyde|2-Ethoxy-4-formylphenol|3-Ethoxy-4-hydroxybenzaldehyd|3-Ethoxyprotocatechualdehyde|3-etoxi-4-hidroxibenzaldehido|4-HYDROXY-3-ETHOXYBENZALDEHYDE|AETHYLVANILLIN|Arovanillon|Benzaldehyde, 3-ethoxy-4-hydroxy-|Bourbonal|BRN 1073761|EINECS 204-464-7|Ethavan|Ethovan|Ethyl protal|Ethyl vanillin|ETHYL VANILLIN/ BOURBONAL|Ethylprotal|Ethylprotocatechualdehyde-3-ethyl ether|Ethylprotocatechuic aldehyde|Ethylvanillin|FEMA No. 2464|NSC 1803|NSC 67240|Protocatechuic aldehyde ethyl ether|Quantrovanil|Rhodiarome|UNII-YC9ST449YJ|Vanilal|Vanillal|VANILLIN ETHYL|Vanillin, ethyl-|Vanirom|Vanirome https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021968 https://doi.org/10.22427/NTP-DATA-DTXSID5021968
ARPathway2016 ARPathway2016_685 3-Ethoxy-4-hydroxybenzaldehyde 121-32-4 DTXSID5021968 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC1=C(O)C=CC(C=O)=C1 3-Ethoxy-4-hydroxybenzaldehyde 121-32-4|3-Ethoxy-4-hydroxybenzaldehyde|2-Ethoxy-4-formylphenol|3-Ethoxy-4-hydroxybenzaldehyd|3-Ethoxyprotocatechualdehyde|3-etoxi-4-hidroxibenzaldehido|4-HYDROXY-3-ETHOXYBENZALDEHYDE|AETHYLVANILLIN|Arovanillon|Benzaldehyde, 3-ethoxy-4-hydroxy-|Bourbonal|BRN 1073761|EINECS 204-464-7|Ethavan|Ethovan|Ethyl protal|Ethyl vanillin|ETHYL VANILLIN/ BOURBONAL|Ethylprotal|Ethylprotocatechualdehyde-3-ethyl ether|Ethylprotocatechuic aldehyde|Ethylvanillin|FEMA No. 2464|NSC 1803|NSC 67240|Protocatechuic aldehyde ethyl ether|Quantrovanil|Rhodiarome|UNII-YC9ST449YJ|Vanilal|Vanillal|VANILLIN ETHYL|Vanillin, ethyl-|Vanirom|Vanirome https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021968 https://doi.org/10.22427/NTP-DATA-DTXSID5021968
ARPathway2016 ARPathway2016_685 3-Ethoxy-4-hydroxybenzaldehyde 121-32-4 DTXSID5021968 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC1=C(O)C=CC(C=O)=C1 3-Ethoxy-4-hydroxybenzaldehyde 121-32-4|3-Ethoxy-4-hydroxybenzaldehyde|2-Ethoxy-4-formylphenol|3-Ethoxy-4-hydroxybenzaldehyd|3-Ethoxyprotocatechualdehyde|3-etoxi-4-hidroxibenzaldehido|4-HYDROXY-3-ETHOXYBENZALDEHYDE|AETHYLVANILLIN|Arovanillon|Benzaldehyde, 3-ethoxy-4-hydroxy-|Bourbonal|BRN 1073761|EINECS 204-464-7|Ethavan|Ethovan|Ethyl protal|Ethyl vanillin|ETHYL VANILLIN/ BOURBONAL|Ethylprotal|Ethylprotocatechualdehyde-3-ethyl ether|Ethylprotocatechuic aldehyde|Ethylvanillin|FEMA No. 2464|NSC 1803|NSC 67240|Protocatechuic aldehyde ethyl ether|Quantrovanil|Rhodiarome|UNII-YC9ST449YJ|Vanilal|Vanillal|VANILLIN ETHYL|Vanillin, ethyl-|Vanirom|Vanirome https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021968 https://doi.org/10.22427/NTP-DATA-DTXSID5021968
ARPathway2016 ARPathway2016_685 3-Ethoxy-4-hydroxybenzaldehyde 121-32-4 DTXSID5021968 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC1=C(O)C=CC(C=O)=C1 3-Ethoxy-4-hydroxybenzaldehyde 121-32-4|3-Ethoxy-4-hydroxybenzaldehyde|2-Ethoxy-4-formylphenol|3-Ethoxy-4-hydroxybenzaldehyd|3-Ethoxyprotocatechualdehyde|3-etoxi-4-hidroxibenzaldehido|4-HYDROXY-3-ETHOXYBENZALDEHYDE|AETHYLVANILLIN|Arovanillon|Benzaldehyde, 3-ethoxy-4-hydroxy-|Bourbonal|BRN 1073761|EINECS 204-464-7|Ethavan|Ethovan|Ethyl protal|Ethyl vanillin|ETHYL VANILLIN/ BOURBONAL|Ethylprotal|Ethylprotocatechualdehyde-3-ethyl ether|Ethylprotocatechuic aldehyde|Ethylvanillin|FEMA No. 2464|NSC 1803|NSC 67240|Protocatechuic aldehyde ethyl ether|Quantrovanil|Rhodiarome|UNII-YC9ST449YJ|Vanilal|Vanillal|VANILLIN ETHYL|Vanillin, ethyl-|Vanirom|Vanirome https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021968 https://doi.org/10.22427/NTP-DATA-DTXSID5021968
ERPathway2016 ERPathway2016_1216 3-Ethoxy-4-hydroxybenzaldehyde 121-32-4 DTXSID5021968 ER Pathway Model, Agonist Model Score 0 Unitless CCOC1=C(O)C=CC(C=O)=C1 3-Ethoxy-4-hydroxybenzaldehyde 121-32-4|3-Ethoxy-4-hydroxybenzaldehyde|2-Ethoxy-4-formylphenol|3-Ethoxy-4-hydroxybenzaldehyd|3-Ethoxyprotocatechualdehyde|3-etoxi-4-hidroxibenzaldehido|4-HYDROXY-3-ETHOXYBENZALDEHYDE|AETHYLVANILLIN|Arovanillon|Benzaldehyde, 3-ethoxy-4-hydroxy-|Bourbonal|BRN 1073761|EINECS 204-464-7|Ethavan|Ethovan|Ethyl protal|Ethyl vanillin|ETHYL VANILLIN/ BOURBONAL|Ethylprotal|Ethylprotocatechualdehyde-3-ethyl ether|Ethylprotocatechuic aldehyde|Ethylvanillin|FEMA No. 2464|NSC 1803|NSC 67240|Protocatechuic aldehyde ethyl ether|Quantrovanil|Rhodiarome|UNII-YC9ST449YJ|Vanilal|Vanillal|VANILLIN ETHYL|Vanillin, ethyl-|Vanirom|Vanirome https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021968 https://doi.org/10.22427/NTP-DATA-DTXSID5021968
ERPathway2016 ERPathway2016_1216 3-Ethoxy-4-hydroxybenzaldehyde 121-32-4 DTXSID5021968 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC1=C(O)C=CC(C=O)=C1 3-Ethoxy-4-hydroxybenzaldehyde 121-32-4|3-Ethoxy-4-hydroxybenzaldehyde|2-Ethoxy-4-formylphenol|3-Ethoxy-4-hydroxybenzaldehyd|3-Ethoxyprotocatechualdehyde|3-etoxi-4-hidroxibenzaldehido|4-HYDROXY-3-ETHOXYBENZALDEHYDE|AETHYLVANILLIN|Arovanillon|Benzaldehyde, 3-ethoxy-4-hydroxy-|Bourbonal|BRN 1073761|EINECS 204-464-7|Ethavan|Ethovan|Ethyl protal|Ethyl vanillin|ETHYL VANILLIN/ BOURBONAL|Ethylprotal|Ethylprotocatechualdehyde-3-ethyl ether|Ethylprotocatechuic aldehyde|Ethylvanillin|FEMA No. 2464|NSC 1803|NSC 67240|Protocatechuic aldehyde ethyl ether|Quantrovanil|Rhodiarome|UNII-YC9ST449YJ|Vanilal|Vanillal|VANILLIN ETHYL|Vanillin, ethyl-|Vanirom|Vanirome https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021968 https://doi.org/10.22427/NTP-DATA-DTXSID5021968
ERPathway2016 ERPathway2016_1216 3-Ethoxy-4-hydroxybenzaldehyde 121-32-4 DTXSID5021968 ER Pathway Model, Agonist Call Inactive Unitless CCOC1=C(O)C=CC(C=O)=C1 3-Ethoxy-4-hydroxybenzaldehyde 121-32-4|3-Ethoxy-4-hydroxybenzaldehyde|2-Ethoxy-4-formylphenol|3-Ethoxy-4-hydroxybenzaldehyd|3-Ethoxyprotocatechualdehyde|3-etoxi-4-hidroxibenzaldehido|4-HYDROXY-3-ETHOXYBENZALDEHYDE|AETHYLVANILLIN|Arovanillon|Benzaldehyde, 3-ethoxy-4-hydroxy-|Bourbonal|BRN 1073761|EINECS 204-464-7|Ethavan|Ethovan|Ethyl protal|Ethyl vanillin|ETHYL VANILLIN/ BOURBONAL|Ethylprotal|Ethylprotocatechualdehyde-3-ethyl ether|Ethylprotocatechuic aldehyde|Ethylvanillin|FEMA No. 2464|NSC 1803|NSC 67240|Protocatechuic aldehyde ethyl ether|Quantrovanil|Rhodiarome|UNII-YC9ST449YJ|Vanilal|Vanillal|VANILLIN ETHYL|Vanillin, ethyl-|Vanirom|Vanirome https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021968 https://doi.org/10.22427/NTP-DATA-DTXSID5021968
ERPathway2016 ERPathway2016_1216 3-Ethoxy-4-hydroxybenzaldehyde 121-32-4 DTXSID5021968 ER Pathway Model, Antagonist Call Inactive Unitless CCOC1=C(O)C=CC(C=O)=C1 3-Ethoxy-4-hydroxybenzaldehyde 121-32-4|3-Ethoxy-4-hydroxybenzaldehyde|2-Ethoxy-4-formylphenol|3-Ethoxy-4-hydroxybenzaldehyd|3-Ethoxyprotocatechualdehyde|3-etoxi-4-hidroxibenzaldehido|4-HYDROXY-3-ETHOXYBENZALDEHYDE|AETHYLVANILLIN|Arovanillon|Benzaldehyde, 3-ethoxy-4-hydroxy-|Bourbonal|BRN 1073761|EINECS 204-464-7|Ethavan|Ethovan|Ethyl protal|Ethyl vanillin|ETHYL VANILLIN/ BOURBONAL|Ethylprotal|Ethylprotocatechualdehyde-3-ethyl ether|Ethylprotocatechuic aldehyde|Ethylvanillin|FEMA No. 2464|NSC 1803|NSC 67240|Protocatechuic aldehyde ethyl ether|Quantrovanil|Rhodiarome|UNII-YC9ST449YJ|Vanilal|Vanillal|VANILLIN ETHYL|Vanillin, ethyl-|Vanirom|Vanirome https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021968 https://doi.org/10.22427/NTP-DATA-DTXSID5021968
ARPathway2016 ARPathway2016_1407 3-Ethylphenol 620-17-7 DTXSID0022480 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC1=CC=CC(O)=C1 3-Ethylphenol 620-17-7|3-Ethylphenol|1-Ethyl-3-hydroxybenzene|1-Hydroxy-3-ethylbenzene|3-Ethyl-phenol|3-etilfenol|Benzene, 1-ethyl-3-hydroxy-|EINECS 210-627-3|m-ethylphenol|m-Hydroxyethylbenzene|meta-Ethylphenol|NSC 8873|Phenol, 3-ethyl-|Phenol, m-ethyl-|UNII-0G9ZK222JX https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022480
ARPathway2016 ARPathway2016_1407 3-Ethylphenol 620-17-7 DTXSID0022480 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC1=CC=CC(O)=C1 3-Ethylphenol 620-17-7|3-Ethylphenol|1-Ethyl-3-hydroxybenzene|1-Hydroxy-3-ethylbenzene|3-Ethyl-phenol|3-etilfenol|Benzene, 1-ethyl-3-hydroxy-|EINECS 210-627-3|m-ethylphenol|m-Hydroxyethylbenzene|meta-Ethylphenol|NSC 8873|Phenol, 3-ethyl-|Phenol, m-ethyl-|UNII-0G9ZK222JX https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022480
ARPathway2016 ARPathway2016_1407 3-Ethylphenol 620-17-7 DTXSID0022480 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC1=CC=CC(O)=C1 3-Ethylphenol 620-17-7|3-Ethylphenol|1-Ethyl-3-hydroxybenzene|1-Hydroxy-3-ethylbenzene|3-Ethyl-phenol|3-etilfenol|Benzene, 1-ethyl-3-hydroxy-|EINECS 210-627-3|m-ethylphenol|m-Hydroxyethylbenzene|meta-Ethylphenol|NSC 8873|Phenol, 3-ethyl-|Phenol, m-ethyl-|UNII-0G9ZK222JX https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022480
ARPathway2016 ARPathway2016_1407 3-Ethylphenol 620-17-7 DTXSID0022480 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC1=CC=CC(O)=C1 3-Ethylphenol 620-17-7|3-Ethylphenol|1-Ethyl-3-hydroxybenzene|1-Hydroxy-3-ethylbenzene|3-Ethyl-phenol|3-etilfenol|Benzene, 1-ethyl-3-hydroxy-|EINECS 210-627-3|m-ethylphenol|m-Hydroxyethylbenzene|meta-Ethylphenol|NSC 8873|Phenol, 3-ethyl-|Phenol, m-ethyl-|UNII-0G9ZK222JX https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022480
ERPathway2016 ERPathway2016_864 3-Ethylphenol 620-17-7 DTXSID0022480 ER Pathway Model, Agonist Model Score 0 Unitless CCC1=CC=CC(O)=C1 3-Ethylphenol 620-17-7|3-Ethylphenol|1-Ethyl-3-hydroxybenzene|1-Hydroxy-3-ethylbenzene|3-Ethyl-phenol|3-etilfenol|Benzene, 1-ethyl-3-hydroxy-|EINECS 210-627-3|m-ethylphenol|m-Hydroxyethylbenzene|meta-Ethylphenol|NSC 8873|Phenol, 3-ethyl-|Phenol, m-ethyl-|UNII-0G9ZK222JX https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022480
ERPathway2016 ERPathway2016_864 3-Ethylphenol 620-17-7 DTXSID0022480 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=CC=CC(O)=C1 3-Ethylphenol 620-17-7|3-Ethylphenol|1-Ethyl-3-hydroxybenzene|1-Hydroxy-3-ethylbenzene|3-Ethyl-phenol|3-etilfenol|Benzene, 1-ethyl-3-hydroxy-|EINECS 210-627-3|m-ethylphenol|m-Hydroxyethylbenzene|meta-Ethylphenol|NSC 8873|Phenol, 3-ethyl-|Phenol, m-ethyl-|UNII-0G9ZK222JX https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022480
ERPathway2016 ERPathway2016_864 3-Ethylphenol 620-17-7 DTXSID0022480 ER Pathway Model, Agonist Call Inactive Unitless CCC1=CC=CC(O)=C1 3-Ethylphenol 620-17-7|3-Ethylphenol|1-Ethyl-3-hydroxybenzene|1-Hydroxy-3-ethylbenzene|3-Ethyl-phenol|3-etilfenol|Benzene, 1-ethyl-3-hydroxy-|EINECS 210-627-3|m-ethylphenol|m-Hydroxyethylbenzene|meta-Ethylphenol|NSC 8873|Phenol, 3-ethyl-|Phenol, m-ethyl-|UNII-0G9ZK222JX https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022480
ERPathway2016 ERPathway2016_864 3-Ethylphenol 620-17-7 DTXSID0022480 ER Pathway Model, Antagonist Call Inactive Unitless CCC1=CC=CC(O)=C1 3-Ethylphenol 620-17-7|3-Ethylphenol|1-Ethyl-3-hydroxybenzene|1-Hydroxy-3-ethylbenzene|3-Ethyl-phenol|3-etilfenol|Benzene, 1-ethyl-3-hydroxy-|EINECS 210-627-3|m-ethylphenol|m-Hydroxyethylbenzene|meta-Ethylphenol|NSC 8873|Phenol, 3-ethyl-|Phenol, m-ethyl-|UNII-0G9ZK222JX https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022480
ARPathway2016 ARPathway2016_239 3-Hydroxyfluorene 6344-67-8 DTXSID9047540 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 11.72703514 uM OC1=CC2=C(CC3=CC=CC=C23)C=C1 3-Hydroxyfluorene 6344-67-8|3-Hydroxyfluorene|9H-fluoren-3-ol|UNII-C1O4H0G6RZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047540
ARPathway2016 ARPathway2016_239 3-Hydroxyfluorene 6344-67-8 DTXSID9047540 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 14.28387463 uM OC1=CC2=C(CC3=CC=CC=C23)C=C1 3-Hydroxyfluorene 6344-67-8|3-Hydroxyfluorene|9H-fluoren-3-ol|UNII-C1O4H0G6RZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047540
ARPathway2016 ARPathway2016_239 3-Hydroxyfluorene 6344-67-8 DTXSID9047540 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.317 Unitless OC1=CC2=C(CC3=CC=CC=C23)C=C1 3-Hydroxyfluorene 6344-67-8|3-Hydroxyfluorene|9H-fluoren-3-ol|UNII-C1O4H0G6RZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047540
ARPathway2016 ARPathway2016_239 3-Hydroxyfluorene 6344-67-8 DTXSID9047540 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC2=C(CC3=CC=CC=C23)C=C1 3-Hydroxyfluorene 6344-67-8|3-Hydroxyfluorene|9H-fluoren-3-ol|UNII-C1O4H0G6RZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047540
ARPathway2016 ARPathway2016_239 3-Hydroxyfluorene 6344-67-8 DTXSID9047540 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=CC2=C(CC3=CC=CC=C23)C=C1 3-Hydroxyfluorene 6344-67-8|3-Hydroxyfluorene|9H-fluoren-3-ol|UNII-C1O4H0G6RZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047540
ARPathway2016 ARPathway2016_239 3-Hydroxyfluorene 6344-67-8 DTXSID9047540 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC2=C(CC3=CC=CC=C23)C=C1 3-Hydroxyfluorene 6344-67-8|3-Hydroxyfluorene|9H-fluoren-3-ol|UNII-C1O4H0G6RZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047540
ERPathway2016 ERPathway2016_239 3-Hydroxyfluorene 6344-67-8 DTXSID9047540 ER Pathway Model, Antagonist AC50 25.7757342211277 uM OC1=CC2=C(CC3=CC=CC=C23)C=C1 3-Hydroxyfluorene 6344-67-8|3-Hydroxyfluorene|9H-fluoren-3-ol|UNII-C1O4H0G6RZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047540
ERPathway2016 ERPathway2016_239 3-Hydroxyfluorene 6344-67-8 DTXSID9047540 ER Pathway Model, Antagonist ACC 10.4054602545182 uM OC1=CC2=C(CC3=CC=CC=C23)C=C1 3-Hydroxyfluorene 6344-67-8|3-Hydroxyfluorene|9H-fluoren-3-ol|UNII-C1O4H0G6RZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047540
ERPathway2016 ERPathway2016_239 3-Hydroxyfluorene 6344-67-8 DTXSID9047540 ER Pathway Model, Agonist Model Score 0.0945 Unitless OC1=CC2=C(CC3=CC=CC=C23)C=C1 3-Hydroxyfluorene 6344-67-8|3-Hydroxyfluorene|9H-fluoren-3-ol|UNII-C1O4H0G6RZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047540
ERPathway2016 ERPathway2016_239 3-Hydroxyfluorene 6344-67-8 DTXSID9047540 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC2=C(CC3=CC=CC=C23)C=C1 3-Hydroxyfluorene 6344-67-8|3-Hydroxyfluorene|9H-fluoren-3-ol|UNII-C1O4H0G6RZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047540
ERPathway2016 ERPathway2016_239 3-Hydroxyfluorene 6344-67-8 DTXSID9047540 ER Pathway Model, Agonist Call Inactive Unitless OC1=CC2=C(CC3=CC=CC=C23)C=C1 3-Hydroxyfluorene 6344-67-8|3-Hydroxyfluorene|9H-fluoren-3-ol|UNII-C1O4H0G6RZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047540
ERPathway2016 ERPathway2016_239 3-Hydroxyfluorene 6344-67-8 DTXSID9047540 ER Pathway Model, Antagonist Call Active Unitless OC1=CC2=C(CC3=CC=CC=C23)C=C1 3-Hydroxyfluorene 6344-67-8|3-Hydroxyfluorene|9H-fluoren-3-ol|UNII-C1O4H0G6RZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047540
ARPathway2016 ARPathway2016_212 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6 DTXSID0028038 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 26.8885277 uM CCCCNC(=O)OCC#CI 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6|3-Iodo-2-propynyl-N-butylcarbamate|3-Iod-2-propinylbutylcarbamat|3-iodo-2-propyn-1-yl N-butylcarbamate|3-iodo-2-propynyl butylcarbamate|3-Iodo-2-propynyl N-butylcarbamate|3-Iodo-2-propynylbutylcarbamate|3-iodoprop-2-yn-1-yl butylcarbamate|3-iodoprop-2-ynyl butylcarbamate|3-Iodopropargyl n-butylcarbamate|3-IODOPROPYNYL BUTYL CARBAMATE|Acticide IPW 50|Biodocarb|BRN 2248232|butilcarbamato de 3-iodo-2-propinilo|butyl-3-iodo-2-propynylcarbamate|Butylcarbamate de 3-iodo-2-propynyle|CARBAMATE, 3-IODO-2-PROPYNYL BUTYL-|Carbamic acid, butyl-, 3-iodo-2-propynyl ester|Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester|Caswell No. 501A|Coatcide 123|Dekaben LMB|Ecobois|EINECS 259-627-5|EPA Pesticide Chemical Code 107801|Fungitrol 720|Fungitrol 820|Glycacil|Glycasil L|Guardsan 388|Iodocarb|iodocarbe|IPBC|Mergal 710S|N-BUTYLCARBAMINSAEURE-(3-JOD-2-PROPINYL)-ESTER|Omacide IPBC|Omacide IPBC 100|Polyphase|Polyphase 641|Polyphase AF 1|Polyphase CST|Polyphase P100|Preventol MP 100|Troysan KK-108A|Troysan Polyphase AF 3|Troysan polyphase anti-mildew|Troysan Polyp|104732-42-5|161849-41-8|84826-91-5|85045-09-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028038
ARPathway2016 ARPathway2016_212 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6 DTXSID0028038 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 19.8246842347278 uM CCCCNC(=O)OCC#CI 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6|3-Iodo-2-propynyl-N-butylcarbamate|3-Iod-2-propinylbutylcarbamat|3-iodo-2-propyn-1-yl N-butylcarbamate|3-iodo-2-propynyl butylcarbamate|3-Iodo-2-propynyl N-butylcarbamate|3-Iodo-2-propynylbutylcarbamate|3-iodoprop-2-yn-1-yl butylcarbamate|3-iodoprop-2-ynyl butylcarbamate|3-Iodopropargyl n-butylcarbamate|3-IODOPROPYNYL BUTYL CARBAMATE|Acticide IPW 50|Biodocarb|BRN 2248232|butilcarbamato de 3-iodo-2-propinilo|butyl-3-iodo-2-propynylcarbamate|Butylcarbamate de 3-iodo-2-propynyle|CARBAMATE, 3-IODO-2-PROPYNYL BUTYL-|Carbamic acid, butyl-, 3-iodo-2-propynyl ester|Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester|Caswell No. 501A|Coatcide 123|Dekaben LMB|Ecobois|EINECS 259-627-5|EPA Pesticide Chemical Code 107801|Fungitrol 720|Fungitrol 820|Glycacil|Glycasil L|Guardsan 388|Iodocarb|iodocarbe|IPBC|Mergal 710S|N-BUTYLCARBAMINSAEURE-(3-JOD-2-PROPINYL)-ESTER|Omacide IPBC|Omacide IPBC 100|Polyphase|Polyphase 641|Polyphase AF 1|Polyphase CST|Polyphase P100|Preventol MP 100|Troysan KK-108A|Troysan Polyphase AF 3|Troysan polyphase anti-mildew|Troysan Polyp|104732-42-5|161849-41-8|84826-91-5|85045-09-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028038
ARPathway2016 ARPathway2016_212 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6 DTXSID0028038 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.112 Unitless CCCCNC(=O)OCC#CI 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6|3-Iodo-2-propynyl-N-butylcarbamate|3-Iod-2-propinylbutylcarbamat|3-iodo-2-propyn-1-yl N-butylcarbamate|3-iodo-2-propynyl butylcarbamate|3-Iodo-2-propynyl N-butylcarbamate|3-Iodo-2-propynylbutylcarbamate|3-iodoprop-2-yn-1-yl butylcarbamate|3-iodoprop-2-ynyl butylcarbamate|3-Iodopropargyl n-butylcarbamate|3-IODOPROPYNYL BUTYL CARBAMATE|Acticide IPW 50|Biodocarb|BRN 2248232|butilcarbamato de 3-iodo-2-propinilo|butyl-3-iodo-2-propynylcarbamate|Butylcarbamate de 3-iodo-2-propynyle|CARBAMATE, 3-IODO-2-PROPYNYL BUTYL-|Carbamic acid, butyl-, 3-iodo-2-propynyl ester|Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester|Caswell No. 501A|Coatcide 123|Dekaben LMB|Ecobois|EINECS 259-627-5|EPA Pesticide Chemical Code 107801|Fungitrol 720|Fungitrol 820|Glycacil|Glycasil L|Guardsan 388|Iodocarb|iodocarbe|IPBC|Mergal 710S|N-BUTYLCARBAMINSAEURE-(3-JOD-2-PROPINYL)-ESTER|Omacide IPBC|Omacide IPBC 100|Polyphase|Polyphase 641|Polyphase AF 1|Polyphase CST|Polyphase P100|Preventol MP 100|Troysan KK-108A|Troysan Polyphase AF 3|Troysan polyphase anti-mildew|Troysan Polyp|104732-42-5|161849-41-8|84826-91-5|85045-09-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028038
ARPathway2016 ARPathway2016_212 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6 DTXSID0028038 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCCNC(=O)OCC#CI 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6|3-Iodo-2-propynyl-N-butylcarbamate|3-Iod-2-propinylbutylcarbamat|3-iodo-2-propyn-1-yl N-butylcarbamate|3-iodo-2-propynyl butylcarbamate|3-Iodo-2-propynyl N-butylcarbamate|3-Iodo-2-propynylbutylcarbamate|3-iodoprop-2-yn-1-yl butylcarbamate|3-iodoprop-2-ynyl butylcarbamate|3-Iodopropargyl n-butylcarbamate|3-IODOPROPYNYL BUTYL CARBAMATE|Acticide IPW 50|Biodocarb|BRN 2248232|butilcarbamato de 3-iodo-2-propinilo|butyl-3-iodo-2-propynylcarbamate|Butylcarbamate de 3-iodo-2-propynyle|CARBAMATE, 3-IODO-2-PROPYNYL BUTYL-|Carbamic acid, butyl-, 3-iodo-2-propynyl ester|Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester|Caswell No. 501A|Coatcide 123|Dekaben LMB|Ecobois|EINECS 259-627-5|EPA Pesticide Chemical Code 107801|Fungitrol 720|Fungitrol 820|Glycacil|Glycasil L|Guardsan 388|Iodocarb|iodocarbe|IPBC|Mergal 710S|N-BUTYLCARBAMINSAEURE-(3-JOD-2-PROPINYL)-ESTER|Omacide IPBC|Omacide IPBC 100|Polyphase|Polyphase 641|Polyphase AF 1|Polyphase CST|Polyphase P100|Preventol MP 100|Troysan KK-108A|Troysan Polyphase AF 3|Troysan polyphase anti-mildew|Troysan Polyp|104732-42-5|161849-41-8|84826-91-5|85045-09-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028038
ARPathway2016 ARPathway2016_212 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6 DTXSID0028038 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCNC(=O)OCC#CI 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6|3-Iodo-2-propynyl-N-butylcarbamate|3-Iod-2-propinylbutylcarbamat|3-iodo-2-propyn-1-yl N-butylcarbamate|3-iodo-2-propynyl butylcarbamate|3-Iodo-2-propynyl N-butylcarbamate|3-Iodo-2-propynylbutylcarbamate|3-iodoprop-2-yn-1-yl butylcarbamate|3-iodoprop-2-ynyl butylcarbamate|3-Iodopropargyl n-butylcarbamate|3-IODOPROPYNYL BUTYL CARBAMATE|Acticide IPW 50|Biodocarb|BRN 2248232|butilcarbamato de 3-iodo-2-propinilo|butyl-3-iodo-2-propynylcarbamate|Butylcarbamate de 3-iodo-2-propynyle|CARBAMATE, 3-IODO-2-PROPYNYL BUTYL-|Carbamic acid, butyl-, 3-iodo-2-propynyl ester|Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester|Caswell No. 501A|Coatcide 123|Dekaben LMB|Ecobois|EINECS 259-627-5|EPA Pesticide Chemical Code 107801|Fungitrol 720|Fungitrol 820|Glycacil|Glycasil L|Guardsan 388|Iodocarb|iodocarbe|IPBC|Mergal 710S|N-BUTYLCARBAMINSAEURE-(3-JOD-2-PROPINYL)-ESTER|Omacide IPBC|Omacide IPBC 100|Polyphase|Polyphase 641|Polyphase AF 1|Polyphase CST|Polyphase P100|Preventol MP 100|Troysan KK-108A|Troysan Polyphase AF 3|Troysan polyphase anti-mildew|Troysan Polyp|104732-42-5|161849-41-8|84826-91-5|85045-09-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028038
ARPathway2016 ARPathway2016_212 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6 DTXSID0028038 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCNC(=O)OCC#CI 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6|3-Iodo-2-propynyl-N-butylcarbamate|3-Iod-2-propinylbutylcarbamat|3-iodo-2-propyn-1-yl N-butylcarbamate|3-iodo-2-propynyl butylcarbamate|3-Iodo-2-propynyl N-butylcarbamate|3-Iodo-2-propynylbutylcarbamate|3-iodoprop-2-yn-1-yl butylcarbamate|3-iodoprop-2-ynyl butylcarbamate|3-Iodopropargyl n-butylcarbamate|3-IODOPROPYNYL BUTYL CARBAMATE|Acticide IPW 50|Biodocarb|BRN 2248232|butilcarbamato de 3-iodo-2-propinilo|butyl-3-iodo-2-propynylcarbamate|Butylcarbamate de 3-iodo-2-propynyle|CARBAMATE, 3-IODO-2-PROPYNYL BUTYL-|Carbamic acid, butyl-, 3-iodo-2-propynyl ester|Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester|Caswell No. 501A|Coatcide 123|Dekaben LMB|Ecobois|EINECS 259-627-5|EPA Pesticide Chemical Code 107801|Fungitrol 720|Fungitrol 820|Glycacil|Glycasil L|Guardsan 388|Iodocarb|iodocarbe|IPBC|Mergal 710S|N-BUTYLCARBAMINSAEURE-(3-JOD-2-PROPINYL)-ESTER|Omacide IPBC|Omacide IPBC 100|Polyphase|Polyphase 641|Polyphase AF 1|Polyphase CST|Polyphase P100|Preventol MP 100|Troysan KK-108A|Troysan Polyphase AF 3|Troysan polyphase anti-mildew|Troysan Polyp|104732-42-5|161849-41-8|84826-91-5|85045-09-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028038
ERPathway2016 ERPathway2016_116 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6 DTXSID0028038 ER Pathway Model, Agonist AC50 28.3721658797333 uM CCCCNC(=O)OCC#CI 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6|3-Iodo-2-propynyl-N-butylcarbamate|3-Iod-2-propinylbutylcarbamat|3-iodo-2-propyn-1-yl N-butylcarbamate|3-iodo-2-propynyl butylcarbamate|3-Iodo-2-propynyl N-butylcarbamate|3-Iodo-2-propynylbutylcarbamate|3-iodoprop-2-yn-1-yl butylcarbamate|3-iodoprop-2-ynyl butylcarbamate|3-Iodopropargyl n-butylcarbamate|3-IODOPROPYNYL BUTYL CARBAMATE|Acticide IPW 50|Biodocarb|BRN 2248232|butilcarbamato de 3-iodo-2-propinilo|butyl-3-iodo-2-propynylcarbamate|Butylcarbamate de 3-iodo-2-propynyle|CARBAMATE, 3-IODO-2-PROPYNYL BUTYL-|Carbamic acid, butyl-, 3-iodo-2-propynyl ester|Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester|Caswell No. 501A|Coatcide 123|Dekaben LMB|Ecobois|EINECS 259-627-5|EPA Pesticide Chemical Code 107801|Fungitrol 720|Fungitrol 820|Glycacil|Glycasil L|Guardsan 388|Iodocarb|iodocarbe|IPBC|Mergal 710S|N-BUTYLCARBAMINSAEURE-(3-JOD-2-PROPINYL)-ESTER|Omacide IPBC|Omacide IPBC 100|Polyphase|Polyphase 641|Polyphase AF 1|Polyphase CST|Polyphase P100|Preventol MP 100|Troysan KK-108A|Troysan Polyphase AF 3|Troysan polyphase anti-mildew|Troysan Polyp|104732-42-5|161849-41-8|84826-91-5|85045-09-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028038
ERPathway2016 ERPathway2016_116 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6 DTXSID0028038 ER Pathway Model, Agonist ACC 24.523575519013 uM CCCCNC(=O)OCC#CI 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6|3-Iodo-2-propynyl-N-butylcarbamate|3-Iod-2-propinylbutylcarbamat|3-iodo-2-propyn-1-yl N-butylcarbamate|3-iodo-2-propynyl butylcarbamate|3-Iodo-2-propynyl N-butylcarbamate|3-Iodo-2-propynylbutylcarbamate|3-iodoprop-2-yn-1-yl butylcarbamate|3-iodoprop-2-ynyl butylcarbamate|3-Iodopropargyl n-butylcarbamate|3-IODOPROPYNYL BUTYL CARBAMATE|Acticide IPW 50|Biodocarb|BRN 2248232|butilcarbamato de 3-iodo-2-propinilo|butyl-3-iodo-2-propynylcarbamate|Butylcarbamate de 3-iodo-2-propynyle|CARBAMATE, 3-IODO-2-PROPYNYL BUTYL-|Carbamic acid, butyl-, 3-iodo-2-propynyl ester|Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester|Caswell No. 501A|Coatcide 123|Dekaben LMB|Ecobois|EINECS 259-627-5|EPA Pesticide Chemical Code 107801|Fungitrol 720|Fungitrol 820|Glycacil|Glycasil L|Guardsan 388|Iodocarb|iodocarbe|IPBC|Mergal 710S|N-BUTYLCARBAMINSAEURE-(3-JOD-2-PROPINYL)-ESTER|Omacide IPBC|Omacide IPBC 100|Polyphase|Polyphase 641|Polyphase AF 1|Polyphase CST|Polyphase P100|Preventol MP 100|Troysan KK-108A|Troysan Polyphase AF 3|Troysan polyphase anti-mildew|Troysan Polyp|104732-42-5|161849-41-8|84826-91-5|85045-09-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028038
ERPathway2016 ERPathway2016_116 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6 DTXSID0028038 ER Pathway Model, Agonist Model Score 0 Unitless CCCCNC(=O)OCC#CI 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6|3-Iodo-2-propynyl-N-butylcarbamate|3-Iod-2-propinylbutylcarbamat|3-iodo-2-propyn-1-yl N-butylcarbamate|3-iodo-2-propynyl butylcarbamate|3-Iodo-2-propynyl N-butylcarbamate|3-Iodo-2-propynylbutylcarbamate|3-iodoprop-2-yn-1-yl butylcarbamate|3-iodoprop-2-ynyl butylcarbamate|3-Iodopropargyl n-butylcarbamate|3-IODOPROPYNYL BUTYL CARBAMATE|Acticide IPW 50|Biodocarb|BRN 2248232|butilcarbamato de 3-iodo-2-propinilo|butyl-3-iodo-2-propynylcarbamate|Butylcarbamate de 3-iodo-2-propynyle|CARBAMATE, 3-IODO-2-PROPYNYL BUTYL-|Carbamic acid, butyl-, 3-iodo-2-propynyl ester|Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester|Caswell No. 501A|Coatcide 123|Dekaben LMB|Ecobois|EINECS 259-627-5|EPA Pesticide Chemical Code 107801|Fungitrol 720|Fungitrol 820|Glycacil|Glycasil L|Guardsan 388|Iodocarb|iodocarbe|IPBC|Mergal 710S|N-BUTYLCARBAMINSAEURE-(3-JOD-2-PROPINYL)-ESTER|Omacide IPBC|Omacide IPBC 100|Polyphase|Polyphase 641|Polyphase AF 1|Polyphase CST|Polyphase P100|Preventol MP 100|Troysan KK-108A|Troysan Polyphase AF 3|Troysan polyphase anti-mildew|Troysan Polyp|104732-42-5|161849-41-8|84826-91-5|85045-09-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028038
ERPathway2016 ERPathway2016_116 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6 DTXSID0028038 ER Pathway Model, Antagonist Model Score 0.0283 Unitless CCCCNC(=O)OCC#CI 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6|3-Iodo-2-propynyl-N-butylcarbamate|3-Iod-2-propinylbutylcarbamat|3-iodo-2-propyn-1-yl N-butylcarbamate|3-iodo-2-propynyl butylcarbamate|3-Iodo-2-propynyl N-butylcarbamate|3-Iodo-2-propynylbutylcarbamate|3-iodoprop-2-yn-1-yl butylcarbamate|3-iodoprop-2-ynyl butylcarbamate|3-Iodopropargyl n-butylcarbamate|3-IODOPROPYNYL BUTYL CARBAMATE|Acticide IPW 50|Biodocarb|BRN 2248232|butilcarbamato de 3-iodo-2-propinilo|butyl-3-iodo-2-propynylcarbamate|Butylcarbamate de 3-iodo-2-propynyle|CARBAMATE, 3-IODO-2-PROPYNYL BUTYL-|Carbamic acid, butyl-, 3-iodo-2-propynyl ester|Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester|Caswell No. 501A|Coatcide 123|Dekaben LMB|Ecobois|EINECS 259-627-5|EPA Pesticide Chemical Code 107801|Fungitrol 720|Fungitrol 820|Glycacil|Glycasil L|Guardsan 388|Iodocarb|iodocarbe|IPBC|Mergal 710S|N-BUTYLCARBAMINSAEURE-(3-JOD-2-PROPINYL)-ESTER|Omacide IPBC|Omacide IPBC 100|Polyphase|Polyphase 641|Polyphase AF 1|Polyphase CST|Polyphase P100|Preventol MP 100|Troysan KK-108A|Troysan Polyphase AF 3|Troysan polyphase anti-mildew|Troysan Polyp|104732-42-5|161849-41-8|84826-91-5|85045-09-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028038
ERPathway2016 ERPathway2016_116 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6 DTXSID0028038 ER Pathway Model, Agonist Call Active Unitless CCCCNC(=O)OCC#CI 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6|3-Iodo-2-propynyl-N-butylcarbamate|3-Iod-2-propinylbutylcarbamat|3-iodo-2-propyn-1-yl N-butylcarbamate|3-iodo-2-propynyl butylcarbamate|3-Iodo-2-propynyl N-butylcarbamate|3-Iodo-2-propynylbutylcarbamate|3-iodoprop-2-yn-1-yl butylcarbamate|3-iodoprop-2-ynyl butylcarbamate|3-Iodopropargyl n-butylcarbamate|3-IODOPROPYNYL BUTYL CARBAMATE|Acticide IPW 50|Biodocarb|BRN 2248232|butilcarbamato de 3-iodo-2-propinilo|butyl-3-iodo-2-propynylcarbamate|Butylcarbamate de 3-iodo-2-propynyle|CARBAMATE, 3-IODO-2-PROPYNYL BUTYL-|Carbamic acid, butyl-, 3-iodo-2-propynyl ester|Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester|Caswell No. 501A|Coatcide 123|Dekaben LMB|Ecobois|EINECS 259-627-5|EPA Pesticide Chemical Code 107801|Fungitrol 720|Fungitrol 820|Glycacil|Glycasil L|Guardsan 388|Iodocarb|iodocarbe|IPBC|Mergal 710S|N-BUTYLCARBAMINSAEURE-(3-JOD-2-PROPINYL)-ESTER|Omacide IPBC|Omacide IPBC 100|Polyphase|Polyphase 641|Polyphase AF 1|Polyphase CST|Polyphase P100|Preventol MP 100|Troysan KK-108A|Troysan Polyphase AF 3|Troysan polyphase anti-mildew|Troysan Polyp|104732-42-5|161849-41-8|84826-91-5|85045-09-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028038
ERPathway2016 ERPathway2016_116 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6 DTXSID0028038 ER Pathway Model, Antagonist Call Inactive Unitless CCCCNC(=O)OCC#CI 3-Iodo-2-propynyl-N-butylcarbamate 55406-53-6|3-Iodo-2-propynyl-N-butylcarbamate|3-Iod-2-propinylbutylcarbamat|3-iodo-2-propyn-1-yl N-butylcarbamate|3-iodo-2-propynyl butylcarbamate|3-Iodo-2-propynyl N-butylcarbamate|3-Iodo-2-propynylbutylcarbamate|3-iodoprop-2-yn-1-yl butylcarbamate|3-iodoprop-2-ynyl butylcarbamate|3-Iodopropargyl n-butylcarbamate|3-IODOPROPYNYL BUTYL CARBAMATE|Acticide IPW 50|Biodocarb|BRN 2248232|butilcarbamato de 3-iodo-2-propinilo|butyl-3-iodo-2-propynylcarbamate|Butylcarbamate de 3-iodo-2-propynyle|CARBAMATE, 3-IODO-2-PROPYNYL BUTYL-|Carbamic acid, butyl-, 3-iodo-2-propynyl ester|Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester|Caswell No. 501A|Coatcide 123|Dekaben LMB|Ecobois|EINECS 259-627-5|EPA Pesticide Chemical Code 107801|Fungitrol 720|Fungitrol 820|Glycacil|Glycasil L|Guardsan 388|Iodocarb|iodocarbe|IPBC|Mergal 710S|N-BUTYLCARBAMINSAEURE-(3-JOD-2-PROPINYL)-ESTER|Omacide IPBC|Omacide IPBC 100|Polyphase|Polyphase 641|Polyphase AF 1|Polyphase CST|Polyphase P100|Preventol MP 100|Troysan KK-108A|Troysan Polyphase AF 3|Troysan polyphase anti-mildew|Troysan Polyp|104732-42-5|161849-41-8|84826-91-5|85045-09-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0028038
ARPathway2016 ARPathway2016_1405 3-Isopropylphenol 618-45-1 DTXSID0044571 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC=CC(O)=C1 3-Isopropylphenol 618-45-1|3-Isopropylphenol|(Phenol, 3-(1-methylethyl)-)|4-06-00-03214|BRN 2040880|EINECS 210-551-0|ISOPROPYLPHENOL, META|m-Cumenol|m-Isopropylphenol|NSC 2209|Phenol, 3-(1-methylethyl)-|UNII-ERD00478GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044571
ARPathway2016 ARPathway2016_1405 3-Isopropylphenol 618-45-1 DTXSID0044571 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CC=CC(O)=C1 3-Isopropylphenol 618-45-1|3-Isopropylphenol|(Phenol, 3-(1-methylethyl)-)|4-06-00-03214|BRN 2040880|EINECS 210-551-0|ISOPROPYLPHENOL, META|m-Cumenol|m-Isopropylphenol|NSC 2209|Phenol, 3-(1-methylethyl)-|UNII-ERD00478GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044571
ARPathway2016 ARPathway2016_1405 3-Isopropylphenol 618-45-1 DTXSID0044571 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC=CC(O)=C1 3-Isopropylphenol 618-45-1|3-Isopropylphenol|(Phenol, 3-(1-methylethyl)-)|4-06-00-03214|BRN 2040880|EINECS 210-551-0|ISOPROPYLPHENOL, META|m-Cumenol|m-Isopropylphenol|NSC 2209|Phenol, 3-(1-methylethyl)-|UNII-ERD00478GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044571
ARPathway2016 ARPathway2016_1405 3-Isopropylphenol 618-45-1 DTXSID0044571 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC=CC(O)=C1 3-Isopropylphenol 618-45-1|3-Isopropylphenol|(Phenol, 3-(1-methylethyl)-)|4-06-00-03214|BRN 2040880|EINECS 210-551-0|ISOPROPYLPHENOL, META|m-Cumenol|m-Isopropylphenol|NSC 2209|Phenol, 3-(1-methylethyl)-|UNII-ERD00478GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044571
ERPathway2016 ERPathway2016_415 3-Isopropylphenol 618-45-1 DTXSID0044571 ER Pathway Model, Antagonist AC50 56.2319645754534 uM CC(C)C1=CC=CC(O)=C1 3-Isopropylphenol 618-45-1|3-Isopropylphenol|(Phenol, 3-(1-methylethyl)-)|4-06-00-03214|BRN 2040880|EINECS 210-551-0|ISOPROPYLPHENOL, META|m-Cumenol|m-Isopropylphenol|NSC 2209|Phenol, 3-(1-methylethyl)-|UNII-ERD00478GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044571
ERPathway2016 ERPathway2016_415 3-Isopropylphenol 618-45-1 DTXSID0044571 ER Pathway Model, Antagonist ACC 43.4520075030861 uM CC(C)C1=CC=CC(O)=C1 3-Isopropylphenol 618-45-1|3-Isopropylphenol|(Phenol, 3-(1-methylethyl)-)|4-06-00-03214|BRN 2040880|EINECS 210-551-0|ISOPROPYLPHENOL, META|m-Cumenol|m-Isopropylphenol|NSC 2209|Phenol, 3-(1-methylethyl)-|UNII-ERD00478GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044571
ERPathway2016 ERPathway2016_415 3-Isopropylphenol 618-45-1 DTXSID0044571 ER Pathway Model, Agonist Model Score 0.00783 Unitless CC(C)C1=CC=CC(O)=C1 3-Isopropylphenol 618-45-1|3-Isopropylphenol|(Phenol, 3-(1-methylethyl)-)|4-06-00-03214|BRN 2040880|EINECS 210-551-0|ISOPROPYLPHENOL, META|m-Cumenol|m-Isopropylphenol|NSC 2209|Phenol, 3-(1-methylethyl)-|UNII-ERD00478GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044571
ERPathway2016 ERPathway2016_415 3-Isopropylphenol 618-45-1 DTXSID0044571 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC=CC(O)=C1 3-Isopropylphenol 618-45-1|3-Isopropylphenol|(Phenol, 3-(1-methylethyl)-)|4-06-00-03214|BRN 2040880|EINECS 210-551-0|ISOPROPYLPHENOL, META|m-Cumenol|m-Isopropylphenol|NSC 2209|Phenol, 3-(1-methylethyl)-|UNII-ERD00478GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044571
ERPathway2016 ERPathway2016_415 3-Isopropylphenol 618-45-1 DTXSID0044571 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC=CC(O)=C1 3-Isopropylphenol 618-45-1|3-Isopropylphenol|(Phenol, 3-(1-methylethyl)-)|4-06-00-03214|BRN 2040880|EINECS 210-551-0|ISOPROPYLPHENOL, META|m-Cumenol|m-Isopropylphenol|NSC 2209|Phenol, 3-(1-methylethyl)-|UNII-ERD00478GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044571
ERPathway2016 ERPathway2016_415 3-Isopropylphenol 618-45-1 DTXSID0044571 ER Pathway Model, Antagonist Call Active Unitless CC(C)C1=CC=CC(O)=C1 3-Isopropylphenol 618-45-1|3-Isopropylphenol|(Phenol, 3-(1-methylethyl)-)|4-06-00-03214|BRN 2040880|EINECS 210-551-0|ISOPROPYLPHENOL, META|m-Cumenol|m-Isopropylphenol|NSC 2209|Phenol, 3-(1-methylethyl)-|UNII-ERD00478GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044571
ARPathway2016 ARPathway2016_510 3-Methylaniline 108-44-1 DTXSID1026792 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(N)=CC=C1 3-Methylaniline 108-44-1|3-Methylaniline|(m-Methylphenyl)amine|1-Amino-3-methylbenzene|3-Amino-1-methylbenzene|3-Aminophenylmethane|3-Aminotoluen|3-Aminotoluene|3-Methylbenzenamine|3-Methylphenylamine|3-Toluidine|4-12-00-01813|Aniline, 3-methyl-|Benzenamine, 3-methyl-|BRN 0635944|EINECS 203-583-1|m-aminotoluene|m-Methylaniline|m-Methylbenzenamine|m-Toluidin|m-toluidina|m-Toluidine|m-Toluidyna|m-Tolylamine|MIXTURE, TOLUIDINE LIQUID|NSC 15349|TOLUIDINE, M-|UNII-006FKQ96T3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026792 https://doi.org/10.22427/NTP-DATA-DTXSID1026792
ARPathway2016 ARPathway2016_510 3-Methylaniline 108-44-1 DTXSID1026792 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(N)=CC=C1 3-Methylaniline 108-44-1|3-Methylaniline|(m-Methylphenyl)amine|1-Amino-3-methylbenzene|3-Amino-1-methylbenzene|3-Aminophenylmethane|3-Aminotoluen|3-Aminotoluene|3-Methylbenzenamine|3-Methylphenylamine|3-Toluidine|4-12-00-01813|Aniline, 3-methyl-|Benzenamine, 3-methyl-|BRN 0635944|EINECS 203-583-1|m-aminotoluene|m-Methylaniline|m-Methylbenzenamine|m-Toluidin|m-toluidina|m-Toluidine|m-Toluidyna|m-Tolylamine|MIXTURE, TOLUIDINE LIQUID|NSC 15349|TOLUIDINE, M-|UNII-006FKQ96T3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026792 https://doi.org/10.22427/NTP-DATA-DTXSID1026792
ARPathway2016 ARPathway2016_510 3-Methylaniline 108-44-1 DTXSID1026792 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(N)=CC=C1 3-Methylaniline 108-44-1|3-Methylaniline|(m-Methylphenyl)amine|1-Amino-3-methylbenzene|3-Amino-1-methylbenzene|3-Aminophenylmethane|3-Aminotoluen|3-Aminotoluene|3-Methylbenzenamine|3-Methylphenylamine|3-Toluidine|4-12-00-01813|Aniline, 3-methyl-|Benzenamine, 3-methyl-|BRN 0635944|EINECS 203-583-1|m-aminotoluene|m-Methylaniline|m-Methylbenzenamine|m-Toluidin|m-toluidina|m-Toluidine|m-Toluidyna|m-Tolylamine|MIXTURE, TOLUIDINE LIQUID|NSC 15349|TOLUIDINE, M-|UNII-006FKQ96T3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026792 https://doi.org/10.22427/NTP-DATA-DTXSID1026792
ARPathway2016 ARPathway2016_510 3-Methylaniline 108-44-1 DTXSID1026792 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(N)=CC=C1 3-Methylaniline 108-44-1|3-Methylaniline|(m-Methylphenyl)amine|1-Amino-3-methylbenzene|3-Amino-1-methylbenzene|3-Aminophenylmethane|3-Aminotoluen|3-Aminotoluene|3-Methylbenzenamine|3-Methylphenylamine|3-Toluidine|4-12-00-01813|Aniline, 3-methyl-|Benzenamine, 3-methyl-|BRN 0635944|EINECS 203-583-1|m-aminotoluene|m-Methylaniline|m-Methylbenzenamine|m-Toluidin|m-toluidina|m-Toluidine|m-Toluidyna|m-Tolylamine|MIXTURE, TOLUIDINE LIQUID|NSC 15349|TOLUIDINE, M-|UNII-006FKQ96T3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026792 https://doi.org/10.22427/NTP-DATA-DTXSID1026792
ERPathway2016 ERPathway2016_1112 3-Methylaniline 108-44-1 DTXSID1026792 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(N)=CC=C1 3-Methylaniline 108-44-1|3-Methylaniline|(m-Methylphenyl)amine|1-Amino-3-methylbenzene|3-Amino-1-methylbenzene|3-Aminophenylmethane|3-Aminotoluen|3-Aminotoluene|3-Methylbenzenamine|3-Methylphenylamine|3-Toluidine|4-12-00-01813|Aniline, 3-methyl-|Benzenamine, 3-methyl-|BRN 0635944|EINECS 203-583-1|m-aminotoluene|m-Methylaniline|m-Methylbenzenamine|m-Toluidin|m-toluidina|m-Toluidine|m-Toluidyna|m-Tolylamine|MIXTURE, TOLUIDINE LIQUID|NSC 15349|TOLUIDINE, M-|UNII-006FKQ96T3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026792 https://doi.org/10.22427/NTP-DATA-DTXSID1026792
ERPathway2016 ERPathway2016_1112 3-Methylaniline 108-44-1 DTXSID1026792 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(N)=CC=C1 3-Methylaniline 108-44-1|3-Methylaniline|(m-Methylphenyl)amine|1-Amino-3-methylbenzene|3-Amino-1-methylbenzene|3-Aminophenylmethane|3-Aminotoluen|3-Aminotoluene|3-Methylbenzenamine|3-Methylphenylamine|3-Toluidine|4-12-00-01813|Aniline, 3-methyl-|Benzenamine, 3-methyl-|BRN 0635944|EINECS 203-583-1|m-aminotoluene|m-Methylaniline|m-Methylbenzenamine|m-Toluidin|m-toluidina|m-Toluidine|m-Toluidyna|m-Tolylamine|MIXTURE, TOLUIDINE LIQUID|NSC 15349|TOLUIDINE, M-|UNII-006FKQ96T3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026792 https://doi.org/10.22427/NTP-DATA-DTXSID1026792
ERPathway2016 ERPathway2016_1112 3-Methylaniline 108-44-1 DTXSID1026792 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(N)=CC=C1 3-Methylaniline 108-44-1|3-Methylaniline|(m-Methylphenyl)amine|1-Amino-3-methylbenzene|3-Amino-1-methylbenzene|3-Aminophenylmethane|3-Aminotoluen|3-Aminotoluene|3-Methylbenzenamine|3-Methylphenylamine|3-Toluidine|4-12-00-01813|Aniline, 3-methyl-|Benzenamine, 3-methyl-|BRN 0635944|EINECS 203-583-1|m-aminotoluene|m-Methylaniline|m-Methylbenzenamine|m-Toluidin|m-toluidina|m-Toluidine|m-Toluidyna|m-Tolylamine|MIXTURE, TOLUIDINE LIQUID|NSC 15349|TOLUIDINE, M-|UNII-006FKQ96T3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026792 https://doi.org/10.22427/NTP-DATA-DTXSID1026792
ERPathway2016 ERPathway2016_1112 3-Methylaniline 108-44-1 DTXSID1026792 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(N)=CC=C1 3-Methylaniline 108-44-1|3-Methylaniline|(m-Methylphenyl)amine|1-Amino-3-methylbenzene|3-Amino-1-methylbenzene|3-Aminophenylmethane|3-Aminotoluen|3-Aminotoluene|3-Methylbenzenamine|3-Methylphenylamine|3-Toluidine|4-12-00-01813|Aniline, 3-methyl-|Benzenamine, 3-methyl-|BRN 0635944|EINECS 203-583-1|m-aminotoluene|m-Methylaniline|m-Methylbenzenamine|m-Toluidin|m-toluidina|m-Toluidine|m-Toluidyna|m-Tolylamine|MIXTURE, TOLUIDINE LIQUID|NSC 15349|TOLUIDINE, M-|UNII-006FKQ96T3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026792 https://doi.org/10.22427/NTP-DATA-DTXSID1026792
ARPathway2016 ARPathway2016_725 3-Methylbutyl acetate 123-92-2 DTXSID9025453 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)CCOC(C)=O 3-Methylbutyl acetate 123-92-2|3-Methylbutyl acetate|1-Butanol, 3-methyl-, 1-acetate|1-Butanol, 3-methyl-, acetate|2-Methylbutyl ethanoate|3-Methyl butyl ester acetic acid|3-Methyl-1-butanol acetate|3-Methyl-1-butanol, acetate|3-Methyl-1-butanyl acetate|3-Methyl-1-butyl acetate|3-methyl-but-1-yl acetate|3-Methylbutyl ethanoate|4-02-00-00157|acetate d'isoamyle|Acetate d'isopentyle|acetate de 3-methylbutyle|ACETATE, 3-METHYLBUTYL|ACETATE, ISOAMYL|acetato de isopentilo|Acetic acid 3-methylbutyl ester|Acetic acid isopentyl ester|acetic acid, 3-methylbutyl ester|Acetic acid, isoamyl ester|acetic acid, isopentyl ester|Amyl acetate, common|amylacetic ester|Banana oil|beta-methyl butyl acetate|beta-Methylbutyl acetate|BRN 1744750|CH3C(O)O(CH2)2CH(CH3)2|EINECS 204-662-3|ESSIGSAEURE-ISOAMYLESTER|FEMA 2055|FEMA No. 2055|FEMA Number 2055|i-Amyl acetate|In Commercial practice amyl invariably means isoamyl, unless it is prefaced by the n- for normal|iso-Amyl acetate|ISO-PENTYL ACETATE|Isoamyl acetate|Isoamyl alcohol acetate|Isoamyl ethanoate|Isoamylacetat|Isoamylazetat|Isoam|29732-50-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025453 https://doi.org/10.22427/NTP-DATA-DTXSID9025453
ARPathway2016 ARPathway2016_725 3-Methylbutyl acetate 123-92-2 DTXSID9025453 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)CCOC(C)=O 3-Methylbutyl acetate 123-92-2|3-Methylbutyl acetate|1-Butanol, 3-methyl-, 1-acetate|1-Butanol, 3-methyl-, acetate|2-Methylbutyl ethanoate|3-Methyl butyl ester acetic acid|3-Methyl-1-butanol acetate|3-Methyl-1-butanol, acetate|3-Methyl-1-butanyl acetate|3-Methyl-1-butyl acetate|3-methyl-but-1-yl acetate|3-Methylbutyl ethanoate|4-02-00-00157|acetate d'isoamyle|Acetate d'isopentyle|acetate de 3-methylbutyle|ACETATE, 3-METHYLBUTYL|ACETATE, ISOAMYL|acetato de isopentilo|Acetic acid 3-methylbutyl ester|Acetic acid isopentyl ester|acetic acid, 3-methylbutyl ester|Acetic acid, isoamyl ester|acetic acid, isopentyl ester|Amyl acetate, common|amylacetic ester|Banana oil|beta-methyl butyl acetate|beta-Methylbutyl acetate|BRN 1744750|CH3C(O)O(CH2)2CH(CH3)2|EINECS 204-662-3|ESSIGSAEURE-ISOAMYLESTER|FEMA 2055|FEMA No. 2055|FEMA Number 2055|i-Amyl acetate|In Commercial practice amyl invariably means isoamyl, unless it is prefaced by the n- for normal|iso-Amyl acetate|ISO-PENTYL ACETATE|Isoamyl acetate|Isoamyl alcohol acetate|Isoamyl ethanoate|Isoamylacetat|Isoamylazetat|Isoam|29732-50-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025453 https://doi.org/10.22427/NTP-DATA-DTXSID9025453
ARPathway2016 ARPathway2016_725 3-Methylbutyl acetate 123-92-2 DTXSID9025453 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)CCOC(C)=O 3-Methylbutyl acetate 123-92-2|3-Methylbutyl acetate|1-Butanol, 3-methyl-, 1-acetate|1-Butanol, 3-methyl-, acetate|2-Methylbutyl ethanoate|3-Methyl butyl ester acetic acid|3-Methyl-1-butanol acetate|3-Methyl-1-butanol, acetate|3-Methyl-1-butanyl acetate|3-Methyl-1-butyl acetate|3-methyl-but-1-yl acetate|3-Methylbutyl ethanoate|4-02-00-00157|acetate d'isoamyle|Acetate d'isopentyle|acetate de 3-methylbutyle|ACETATE, 3-METHYLBUTYL|ACETATE, ISOAMYL|acetato de isopentilo|Acetic acid 3-methylbutyl ester|Acetic acid isopentyl ester|acetic acid, 3-methylbutyl ester|Acetic acid, isoamyl ester|acetic acid, isopentyl ester|Amyl acetate, common|amylacetic ester|Banana oil|beta-methyl butyl acetate|beta-Methylbutyl acetate|BRN 1744750|CH3C(O)O(CH2)2CH(CH3)2|EINECS 204-662-3|ESSIGSAEURE-ISOAMYLESTER|FEMA 2055|FEMA No. 2055|FEMA Number 2055|i-Amyl acetate|In Commercial practice amyl invariably means isoamyl, unless it is prefaced by the n- for normal|iso-Amyl acetate|ISO-PENTYL ACETATE|Isoamyl acetate|Isoamyl alcohol acetate|Isoamyl ethanoate|Isoamylacetat|Isoamylazetat|Isoam|29732-50-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025453 https://doi.org/10.22427/NTP-DATA-DTXSID9025453
ARPathway2016 ARPathway2016_725 3-Methylbutyl acetate 123-92-2 DTXSID9025453 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)CCOC(C)=O 3-Methylbutyl acetate 123-92-2|3-Methylbutyl acetate|1-Butanol, 3-methyl-, 1-acetate|1-Butanol, 3-methyl-, acetate|2-Methylbutyl ethanoate|3-Methyl butyl ester acetic acid|3-Methyl-1-butanol acetate|3-Methyl-1-butanol, acetate|3-Methyl-1-butanyl acetate|3-Methyl-1-butyl acetate|3-methyl-but-1-yl acetate|3-Methylbutyl ethanoate|4-02-00-00157|acetate d'isoamyle|Acetate d'isopentyle|acetate de 3-methylbutyle|ACETATE, 3-METHYLBUTYL|ACETATE, ISOAMYL|acetato de isopentilo|Acetic acid 3-methylbutyl ester|Acetic acid isopentyl ester|acetic acid, 3-methylbutyl ester|Acetic acid, isoamyl ester|acetic acid, isopentyl ester|Amyl acetate, common|amylacetic ester|Banana oil|beta-methyl butyl acetate|beta-Methylbutyl acetate|BRN 1744750|CH3C(O)O(CH2)2CH(CH3)2|EINECS 204-662-3|ESSIGSAEURE-ISOAMYLESTER|FEMA 2055|FEMA No. 2055|FEMA Number 2055|i-Amyl acetate|In Commercial practice amyl invariably means isoamyl, unless it is prefaced by the n- for normal|iso-Amyl acetate|ISO-PENTYL ACETATE|Isoamyl acetate|Isoamyl alcohol acetate|Isoamyl ethanoate|Isoamylacetat|Isoamylazetat|Isoam|29732-50-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025453 https://doi.org/10.22427/NTP-DATA-DTXSID9025453
ERPathway2016 ERPathway2016_1238 3-Methylbutyl acetate 123-92-2 DTXSID9025453 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)CCOC(C)=O 3-Methylbutyl acetate 123-92-2|3-Methylbutyl acetate|1-Butanol, 3-methyl-, 1-acetate|1-Butanol, 3-methyl-, acetate|2-Methylbutyl ethanoate|3-Methyl butyl ester acetic acid|3-Methyl-1-butanol acetate|3-Methyl-1-butanol, acetate|3-Methyl-1-butanyl acetate|3-Methyl-1-butyl acetate|3-methyl-but-1-yl acetate|3-Methylbutyl ethanoate|4-02-00-00157|acetate d'isoamyle|Acetate d'isopentyle|acetate de 3-methylbutyle|ACETATE, 3-METHYLBUTYL|ACETATE, ISOAMYL|acetato de isopentilo|Acetic acid 3-methylbutyl ester|Acetic acid isopentyl ester|acetic acid, 3-methylbutyl ester|Acetic acid, isoamyl ester|acetic acid, isopentyl ester|Amyl acetate, common|amylacetic ester|Banana oil|beta-methyl butyl acetate|beta-Methylbutyl acetate|BRN 1744750|CH3C(O)O(CH2)2CH(CH3)2|EINECS 204-662-3|ESSIGSAEURE-ISOAMYLESTER|FEMA 2055|FEMA No. 2055|FEMA Number 2055|i-Amyl acetate|In Commercial practice amyl invariably means isoamyl, unless it is prefaced by the n- for normal|iso-Amyl acetate|ISO-PENTYL ACETATE|Isoamyl acetate|Isoamyl alcohol acetate|Isoamyl ethanoate|Isoamylacetat|Isoamylazetat|Isoam|29732-50-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025453 https://doi.org/10.22427/NTP-DATA-DTXSID9025453
ERPathway2016 ERPathway2016_1238 3-Methylbutyl acetate 123-92-2 DTXSID9025453 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)CCOC(C)=O 3-Methylbutyl acetate 123-92-2|3-Methylbutyl acetate|1-Butanol, 3-methyl-, 1-acetate|1-Butanol, 3-methyl-, acetate|2-Methylbutyl ethanoate|3-Methyl butyl ester acetic acid|3-Methyl-1-butanol acetate|3-Methyl-1-butanol, acetate|3-Methyl-1-butanyl acetate|3-Methyl-1-butyl acetate|3-methyl-but-1-yl acetate|3-Methylbutyl ethanoate|4-02-00-00157|acetate d'isoamyle|Acetate d'isopentyle|acetate de 3-methylbutyle|ACETATE, 3-METHYLBUTYL|ACETATE, ISOAMYL|acetato de isopentilo|Acetic acid 3-methylbutyl ester|Acetic acid isopentyl ester|acetic acid, 3-methylbutyl ester|Acetic acid, isoamyl ester|acetic acid, isopentyl ester|Amyl acetate, common|amylacetic ester|Banana oil|beta-methyl butyl acetate|beta-Methylbutyl acetate|BRN 1744750|CH3C(O)O(CH2)2CH(CH3)2|EINECS 204-662-3|ESSIGSAEURE-ISOAMYLESTER|FEMA 2055|FEMA No. 2055|FEMA Number 2055|i-Amyl acetate|In Commercial practice amyl invariably means isoamyl, unless it is prefaced by the n- for normal|iso-Amyl acetate|ISO-PENTYL ACETATE|Isoamyl acetate|Isoamyl alcohol acetate|Isoamyl ethanoate|Isoamylacetat|Isoamylazetat|Isoam|29732-50-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025453 https://doi.org/10.22427/NTP-DATA-DTXSID9025453
ERPathway2016 ERPathway2016_1238 3-Methylbutyl acetate 123-92-2 DTXSID9025453 ER Pathway Model, Agonist Call Inactive Unitless CC(C)CCOC(C)=O 3-Methylbutyl acetate 123-92-2|3-Methylbutyl acetate|1-Butanol, 3-methyl-, 1-acetate|1-Butanol, 3-methyl-, acetate|2-Methylbutyl ethanoate|3-Methyl butyl ester acetic acid|3-Methyl-1-butanol acetate|3-Methyl-1-butanol, acetate|3-Methyl-1-butanyl acetate|3-Methyl-1-butyl acetate|3-methyl-but-1-yl acetate|3-Methylbutyl ethanoate|4-02-00-00157|acetate d'isoamyle|Acetate d'isopentyle|acetate de 3-methylbutyle|ACETATE, 3-METHYLBUTYL|ACETATE, ISOAMYL|acetato de isopentilo|Acetic acid 3-methylbutyl ester|Acetic acid isopentyl ester|acetic acid, 3-methylbutyl ester|Acetic acid, isoamyl ester|acetic acid, isopentyl ester|Amyl acetate, common|amylacetic ester|Banana oil|beta-methyl butyl acetate|beta-Methylbutyl acetate|BRN 1744750|CH3C(O)O(CH2)2CH(CH3)2|EINECS 204-662-3|ESSIGSAEURE-ISOAMYLESTER|FEMA 2055|FEMA No. 2055|FEMA Number 2055|i-Amyl acetate|In Commercial practice amyl invariably means isoamyl, unless it is prefaced by the n- for normal|iso-Amyl acetate|ISO-PENTYL ACETATE|Isoamyl acetate|Isoamyl alcohol acetate|Isoamyl ethanoate|Isoamylacetat|Isoamylazetat|Isoam|29732-50-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025453 https://doi.org/10.22427/NTP-DATA-DTXSID9025453
ERPathway2016 ERPathway2016_1238 3-Methylbutyl acetate 123-92-2 DTXSID9025453 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)CCOC(C)=O 3-Methylbutyl acetate 123-92-2|3-Methylbutyl acetate|1-Butanol, 3-methyl-, 1-acetate|1-Butanol, 3-methyl-, acetate|2-Methylbutyl ethanoate|3-Methyl butyl ester acetic acid|3-Methyl-1-butanol acetate|3-Methyl-1-butanol, acetate|3-Methyl-1-butanyl acetate|3-Methyl-1-butyl acetate|3-methyl-but-1-yl acetate|3-Methylbutyl ethanoate|4-02-00-00157|acetate d'isoamyle|Acetate d'isopentyle|acetate de 3-methylbutyle|ACETATE, 3-METHYLBUTYL|ACETATE, ISOAMYL|acetato de isopentilo|Acetic acid 3-methylbutyl ester|Acetic acid isopentyl ester|acetic acid, 3-methylbutyl ester|Acetic acid, isoamyl ester|acetic acid, isopentyl ester|Amyl acetate, common|amylacetic ester|Banana oil|beta-methyl butyl acetate|beta-Methylbutyl acetate|BRN 1744750|CH3C(O)O(CH2)2CH(CH3)2|EINECS 204-662-3|ESSIGSAEURE-ISOAMYLESTER|FEMA 2055|FEMA No. 2055|FEMA Number 2055|i-Amyl acetate|In Commercial practice amyl invariably means isoamyl, unless it is prefaced by the n- for normal|iso-Amyl acetate|ISO-PENTYL ACETATE|Isoamyl acetate|Isoamyl alcohol acetate|Isoamyl ethanoate|Isoamylacetat|Isoamylazetat|Isoam|29732-50-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025453 https://doi.org/10.22427/NTP-DATA-DTXSID9025453
ARPathway2016 ARPathway2016_525 3-Methylpyridine 108-99-6 DTXSID9021897 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=CN=C1 3-Methylpyridine 108-99-6|3-Methylpyridine|3-Methyl pyridine|3-Methylpyridin|3-metilpiridina|3-Picoline|b-Picoline|beta-Methylpyridine|beta-Picoline|EINECS 203-636-9|m-Methylpyridine|m-Picoline|NSC 18251|Pyridine, 3-methyl-|UNII-B083J4KF7F|b-Methylpyridine|B-PICOLIN|b-Picoline|82005-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021897 https://doi.org/10.22427/NTP-DATA-DTXSID9021897
ARPathway2016 ARPathway2016_525 3-Methylpyridine 108-99-6 DTXSID9021897 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=CN=C1 3-Methylpyridine 108-99-6|3-Methylpyridine|3-Methyl pyridine|3-Methylpyridin|3-metilpiridina|3-Picoline|b-Picoline|beta-Methylpyridine|beta-Picoline|EINECS 203-636-9|m-Methylpyridine|m-Picoline|NSC 18251|Pyridine, 3-methyl-|UNII-B083J4KF7F|b-Methylpyridine|B-PICOLIN|b-Picoline|82005-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021897 https://doi.org/10.22427/NTP-DATA-DTXSID9021897
ARPathway2016 ARPathway2016_525 3-Methylpyridine 108-99-6 DTXSID9021897 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=CN=C1 3-Methylpyridine 108-99-6|3-Methylpyridine|3-Methyl pyridine|3-Methylpyridin|3-metilpiridina|3-Picoline|b-Picoline|beta-Methylpyridine|beta-Picoline|EINECS 203-636-9|m-Methylpyridine|m-Picoline|NSC 18251|Pyridine, 3-methyl-|UNII-B083J4KF7F|b-Methylpyridine|B-PICOLIN|b-Picoline|82005-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021897 https://doi.org/10.22427/NTP-DATA-DTXSID9021897
ARPathway2016 ARPathway2016_525 3-Methylpyridine 108-99-6 DTXSID9021897 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=CN=C1 3-Methylpyridine 108-99-6|3-Methylpyridine|3-Methyl pyridine|3-Methylpyridin|3-metilpiridina|3-Picoline|b-Picoline|beta-Methylpyridine|beta-Picoline|EINECS 203-636-9|m-Methylpyridine|m-Picoline|NSC 18251|Pyridine, 3-methyl-|UNII-B083J4KF7F|b-Methylpyridine|B-PICOLIN|b-Picoline|82005-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021897 https://doi.org/10.22427/NTP-DATA-DTXSID9021897
ARPathway2016 ARPathway2016_1812 3-Nitrotoluene 99-08-1 DTXSID5021831 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(=CC=C1)[N+]([O-])=O 3-Nitrotoluene 99-08-1|3-Nitrotoluene|1-Methyl-3-nitrobenzene|2-Methyl-6-nitrobenzene|3-Methyl-1-nitrobenzene|3-Methylnitrobenzene|3-nitrotolueno|3-Nitrotoluol|Benzene, 1-methyl-3-nitro-|EINECS 202-728-6|m-Methylnitrobenzene|m-Mononitrotoluene|m-Nitrotoluene|m-Nitrotoluol|meta-Nitrotoluol|NSC 9578|TOLUENE, 3-NITRO-|Toluene, m-nitro|Toluene, m-nitro-|UNII-29A9W826KQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021831 https://doi.org/10.22427/NTP-DATA-DTXSID5021831
ARPathway2016 ARPathway2016_1812 3-Nitrotoluene 99-08-1 DTXSID5021831 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(=CC=C1)[N+]([O-])=O 3-Nitrotoluene 99-08-1|3-Nitrotoluene|1-Methyl-3-nitrobenzene|2-Methyl-6-nitrobenzene|3-Methyl-1-nitrobenzene|3-Methylnitrobenzene|3-nitrotolueno|3-Nitrotoluol|Benzene, 1-methyl-3-nitro-|EINECS 202-728-6|m-Methylnitrobenzene|m-Mononitrotoluene|m-Nitrotoluene|m-Nitrotoluol|meta-Nitrotoluol|NSC 9578|TOLUENE, 3-NITRO-|Toluene, m-nitro|Toluene, m-nitro-|UNII-29A9W826KQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021831 https://doi.org/10.22427/NTP-DATA-DTXSID5021831
ARPathway2016 ARPathway2016_1812 3-Nitrotoluene 99-08-1 DTXSID5021831 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(=CC=C1)[N+]([O-])=O 3-Nitrotoluene 99-08-1|3-Nitrotoluene|1-Methyl-3-nitrobenzene|2-Methyl-6-nitrobenzene|3-Methyl-1-nitrobenzene|3-Methylnitrobenzene|3-nitrotolueno|3-Nitrotoluol|Benzene, 1-methyl-3-nitro-|EINECS 202-728-6|m-Methylnitrobenzene|m-Mononitrotoluene|m-Nitrotoluene|m-Nitrotoluol|meta-Nitrotoluol|NSC 9578|TOLUENE, 3-NITRO-|Toluene, m-nitro|Toluene, m-nitro-|UNII-29A9W826KQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021831 https://doi.org/10.22427/NTP-DATA-DTXSID5021831
ARPathway2016 ARPathway2016_1812 3-Nitrotoluene 99-08-1 DTXSID5021831 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(=CC=C1)[N+]([O-])=O 3-Nitrotoluene 99-08-1|3-Nitrotoluene|1-Methyl-3-nitrobenzene|2-Methyl-6-nitrobenzene|3-Methyl-1-nitrobenzene|3-Methylnitrobenzene|3-nitrotolueno|3-Nitrotoluol|Benzene, 1-methyl-3-nitro-|EINECS 202-728-6|m-Methylnitrobenzene|m-Mononitrotoluene|m-Nitrotoluene|m-Nitrotoluol|meta-Nitrotoluol|NSC 9578|TOLUENE, 3-NITRO-|Toluene, m-nitro|Toluene, m-nitro-|UNII-29A9W826KQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021831 https://doi.org/10.22427/NTP-DATA-DTXSID5021831
ERPathway2016 ERPathway2016_929 3-Nitrotoluene 99-08-1 DTXSID5021831 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(=CC=C1)[N+]([O-])=O 3-Nitrotoluene 99-08-1|3-Nitrotoluene|1-Methyl-3-nitrobenzene|2-Methyl-6-nitrobenzene|3-Methyl-1-nitrobenzene|3-Methylnitrobenzene|3-nitrotolueno|3-Nitrotoluol|Benzene, 1-methyl-3-nitro-|EINECS 202-728-6|m-Methylnitrobenzene|m-Mononitrotoluene|m-Nitrotoluene|m-Nitrotoluol|meta-Nitrotoluol|NSC 9578|TOLUENE, 3-NITRO-|Toluene, m-nitro|Toluene, m-nitro-|UNII-29A9W826KQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021831 https://doi.org/10.22427/NTP-DATA-DTXSID5021831
ERPathway2016 ERPathway2016_929 3-Nitrotoluene 99-08-1 DTXSID5021831 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(=CC=C1)[N+]([O-])=O 3-Nitrotoluene 99-08-1|3-Nitrotoluene|1-Methyl-3-nitrobenzene|2-Methyl-6-nitrobenzene|3-Methyl-1-nitrobenzene|3-Methylnitrobenzene|3-nitrotolueno|3-Nitrotoluol|Benzene, 1-methyl-3-nitro-|EINECS 202-728-6|m-Methylnitrobenzene|m-Mononitrotoluene|m-Nitrotoluene|m-Nitrotoluol|meta-Nitrotoluol|NSC 9578|TOLUENE, 3-NITRO-|Toluene, m-nitro|Toluene, m-nitro-|UNII-29A9W826KQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021831 https://doi.org/10.22427/NTP-DATA-DTXSID5021831
ERPathway2016 ERPathway2016_929 3-Nitrotoluene 99-08-1 DTXSID5021831 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(=CC=C1)[N+]([O-])=O 3-Nitrotoluene 99-08-1|3-Nitrotoluene|1-Methyl-3-nitrobenzene|2-Methyl-6-nitrobenzene|3-Methyl-1-nitrobenzene|3-Methylnitrobenzene|3-nitrotolueno|3-Nitrotoluol|Benzene, 1-methyl-3-nitro-|EINECS 202-728-6|m-Methylnitrobenzene|m-Mononitrotoluene|m-Nitrotoluene|m-Nitrotoluol|meta-Nitrotoluol|NSC 9578|TOLUENE, 3-NITRO-|Toluene, m-nitro|Toluene, m-nitro-|UNII-29A9W826KQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021831 https://doi.org/10.22427/NTP-DATA-DTXSID5021831
ERPathway2016 ERPathway2016_929 3-Nitrotoluene 99-08-1 DTXSID5021831 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(=CC=C1)[N+]([O-])=O 3-Nitrotoluene 99-08-1|3-Nitrotoluene|1-Methyl-3-nitrobenzene|2-Methyl-6-nitrobenzene|3-Methyl-1-nitrobenzene|3-Methylnitrobenzene|3-nitrotolueno|3-Nitrotoluol|Benzene, 1-methyl-3-nitro-|EINECS 202-728-6|m-Methylnitrobenzene|m-Mononitrotoluene|m-Nitrotoluene|m-Nitrotoluol|meta-Nitrotoluol|NSC 9578|TOLUENE, 3-NITRO-|Toluene, m-nitro|Toluene, m-nitro-|UNII-29A9W826KQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021831 https://doi.org/10.22427/NTP-DATA-DTXSID5021831
ARPathway2016 ARPathway2016_480 3-Octanone 106-68-3 DTXSID3041954 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCC(=O)CC 3-Octanone 106-68-3|3-Octanone|3-Oxooctane|Amyl ethyl ketone|BRN 1700021|EAK|EINECS 203-423-0|Ethyl amyl ketone|Ethyl amyl ketone [UN2271] [Flammable liquid]|Ethyl n-amyl ketone|Ethyl N-amylketone|Ethyl n-pentyl ketone|Ethyl pentyl ketone|FEMA 2803|FEMA No. 2803|n-Amyl ethyl ketone|n-Octanone-3|NSC 60161|octan-3-ona|Octan-3-one|octane-3-one|UN 2271|UNII-79173B4107 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041954
ARPathway2016 ARPathway2016_480 3-Octanone 106-68-3 DTXSID3041954 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCC(=O)CC 3-Octanone 106-68-3|3-Octanone|3-Oxooctane|Amyl ethyl ketone|BRN 1700021|EAK|EINECS 203-423-0|Ethyl amyl ketone|Ethyl amyl ketone [UN2271] [Flammable liquid]|Ethyl n-amyl ketone|Ethyl N-amylketone|Ethyl n-pentyl ketone|Ethyl pentyl ketone|FEMA 2803|FEMA No. 2803|n-Amyl ethyl ketone|n-Octanone-3|NSC 60161|octan-3-ona|Octan-3-one|octane-3-one|UN 2271|UNII-79173B4107 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041954
ARPathway2016 ARPathway2016_480 3-Octanone 106-68-3 DTXSID3041954 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCC(=O)CC 3-Octanone 106-68-3|3-Octanone|3-Oxooctane|Amyl ethyl ketone|BRN 1700021|EAK|EINECS 203-423-0|Ethyl amyl ketone|Ethyl amyl ketone [UN2271] [Flammable liquid]|Ethyl n-amyl ketone|Ethyl N-amylketone|Ethyl n-pentyl ketone|Ethyl pentyl ketone|FEMA 2803|FEMA No. 2803|n-Amyl ethyl ketone|n-Octanone-3|NSC 60161|octan-3-ona|Octan-3-one|octane-3-one|UN 2271|UNII-79173B4107 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041954
ARPathway2016 ARPathway2016_480 3-Octanone 106-68-3 DTXSID3041954 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCC(=O)CC 3-Octanone 106-68-3|3-Octanone|3-Oxooctane|Amyl ethyl ketone|BRN 1700021|EAK|EINECS 203-423-0|Ethyl amyl ketone|Ethyl amyl ketone [UN2271] [Flammable liquid]|Ethyl n-amyl ketone|Ethyl N-amylketone|Ethyl n-pentyl ketone|Ethyl pentyl ketone|FEMA 2803|FEMA No. 2803|n-Amyl ethyl ketone|n-Octanone-3|NSC 60161|octan-3-ona|Octan-3-one|octane-3-one|UN 2271|UNII-79173B4107 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041954
ERPathway2016 ERPathway2016_1091 3-Octanone 106-68-3 DTXSID3041954 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCC(=O)CC 3-Octanone 106-68-3|3-Octanone|3-Oxooctane|Amyl ethyl ketone|BRN 1700021|EAK|EINECS 203-423-0|Ethyl amyl ketone|Ethyl amyl ketone [UN2271] [Flammable liquid]|Ethyl n-amyl ketone|Ethyl N-amylketone|Ethyl n-pentyl ketone|Ethyl pentyl ketone|FEMA 2803|FEMA No. 2803|n-Amyl ethyl ketone|n-Octanone-3|NSC 60161|octan-3-ona|Octan-3-one|octane-3-one|UN 2271|UNII-79173B4107 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041954
ERPathway2016 ERPathway2016_1091 3-Octanone 106-68-3 DTXSID3041954 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCC(=O)CC 3-Octanone 106-68-3|3-Octanone|3-Oxooctane|Amyl ethyl ketone|BRN 1700021|EAK|EINECS 203-423-0|Ethyl amyl ketone|Ethyl amyl ketone [UN2271] [Flammable liquid]|Ethyl n-amyl ketone|Ethyl N-amylketone|Ethyl n-pentyl ketone|Ethyl pentyl ketone|FEMA 2803|FEMA No. 2803|n-Amyl ethyl ketone|n-Octanone-3|NSC 60161|octan-3-ona|Octan-3-one|octane-3-one|UN 2271|UNII-79173B4107 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041954
ERPathway2016 ERPathway2016_1091 3-Octanone 106-68-3 DTXSID3041954 ER Pathway Model, Agonist Call Inactive Unitless CCCCCC(=O)CC 3-Octanone 106-68-3|3-Octanone|3-Oxooctane|Amyl ethyl ketone|BRN 1700021|EAK|EINECS 203-423-0|Ethyl amyl ketone|Ethyl amyl ketone [UN2271] [Flammable liquid]|Ethyl n-amyl ketone|Ethyl N-amylketone|Ethyl n-pentyl ketone|Ethyl pentyl ketone|FEMA 2803|FEMA No. 2803|n-Amyl ethyl ketone|n-Octanone-3|NSC 60161|octan-3-ona|Octan-3-one|octane-3-one|UN 2271|UNII-79173B4107 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041954
ERPathway2016 ERPathway2016_1091 3-Octanone 106-68-3 DTXSID3041954 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCC(=O)CC 3-Octanone 106-68-3|3-Octanone|3-Oxooctane|Amyl ethyl ketone|BRN 1700021|EAK|EINECS 203-423-0|Ethyl amyl ketone|Ethyl amyl ketone [UN2271] [Flammable liquid]|Ethyl n-amyl ketone|Ethyl N-amylketone|Ethyl n-pentyl ketone|Ethyl pentyl ketone|FEMA 2803|FEMA No. 2803|n-Amyl ethyl ketone|n-Octanone-3|NSC 60161|octan-3-ona|Octan-3-one|octane-3-one|UN 2271|UNII-79173B4107 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041954
ARPathway2016 ARPathway2016_138 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1 DTXSID1040611 True antagonist shift (Hit/Hit) 4.0 AR Pathway Model, Agonist AC50 24.8110519104666 uM COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C |lp:1:2,4:2,10:2,15:2,Sg:n:3,2,1::ht| 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|Glycols, polyethylene, methyl 3-[1,3,3,3-tetramethyl-1-(trimethylsiloxy)disiloxanyl]propyl ether|Pentra-Bark|Poly(oxy-1,2-ethanediyl), alpha-methyl-omega-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]-|Polyethylene glycol mono(3-(tetramethyl-1-(trimethylsiloxy)disiloxanyl)propyl)ether|Polyethylene glycol monomethyl ether mono[3-[methylbis(trimethylsiloxy)silyl]propyl] ether|Silwet L 77|1234475-81-0|1369526-66-8|150266-49-2|185116-92-1|193764-85-1|2204277-36-9|275373-95-0|2857059-61-9|512187-29-0|882006-00-0|883881-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040611
ARPathway2016 ARPathway2016_138 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1 DTXSID1040611 True antagonist shift (Hit/Hit) 4.0 AR Pathway Model, Agonist ACC 15.9521410623936 uM COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C |lp:1:2,4:2,10:2,15:2,Sg:n:3,2,1::ht| 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|Glycols, polyethylene, methyl 3-[1,3,3,3-tetramethyl-1-(trimethylsiloxy)disiloxanyl]propyl ether|Pentra-Bark|Poly(oxy-1,2-ethanediyl), alpha-methyl-omega-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]-|Polyethylene glycol mono(3-(tetramethyl-1-(trimethylsiloxy)disiloxanyl)propyl)ether|Polyethylene glycol monomethyl ether mono[3-[methylbis(trimethylsiloxy)silyl]propyl] ether|Silwet L 77|1234475-81-0|1369526-66-8|150266-49-2|185116-92-1|193764-85-1|2204277-36-9|275373-95-0|2857059-61-9|512187-29-0|882006-00-0|883881-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040611
ARPathway2016 ARPathway2016_138 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1 DTXSID1040611 True antagonist shift (Hit/Hit) 4.0 AR Pathway Model, Antagonist Model Score 0.0496 Unitless COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C |lp:1:2,4:2,10:2,15:2,Sg:n:3,2,1::ht| 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|Glycols, polyethylene, methyl 3-[1,3,3,3-tetramethyl-1-(trimethylsiloxy)disiloxanyl]propyl ether|Pentra-Bark|Poly(oxy-1,2-ethanediyl), alpha-methyl-omega-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]-|Polyethylene glycol mono(3-(tetramethyl-1-(trimethylsiloxy)disiloxanyl)propyl)ether|Polyethylene glycol monomethyl ether mono[3-[methylbis(trimethylsiloxy)silyl]propyl] ether|Silwet L 77|1234475-81-0|1369526-66-8|150266-49-2|185116-92-1|193764-85-1|2204277-36-9|275373-95-0|2857059-61-9|512187-29-0|882006-00-0|883881-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040611
ARPathway2016 ARPathway2016_138 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1 DTXSID1040611 True antagonist shift (Hit/Hit) 4.0 AR Pathway Model, Agonist Model Score 0 Unitless COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C |lp:1:2,4:2,10:2,15:2,Sg:n:3,2,1::ht| 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|Glycols, polyethylene, methyl 3-[1,3,3,3-tetramethyl-1-(trimethylsiloxy)disiloxanyl]propyl ether|Pentra-Bark|Poly(oxy-1,2-ethanediyl), alpha-methyl-omega-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]-|Polyethylene glycol mono(3-(tetramethyl-1-(trimethylsiloxy)disiloxanyl)propyl)ether|Polyethylene glycol monomethyl ether mono[3-[methylbis(trimethylsiloxy)silyl]propyl] ether|Silwet L 77|1234475-81-0|1369526-66-8|150266-49-2|185116-92-1|193764-85-1|2204277-36-9|275373-95-0|2857059-61-9|512187-29-0|882006-00-0|883881-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040611
ARPathway2016 ARPathway2016_138 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1 DTXSID1040611 True antagonist shift (Hit/Hit) 4.0 AR Pathway Model, Agonist Call Active Unitless COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C |lp:1:2,4:2,10:2,15:2,Sg:n:3,2,1::ht| 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|Glycols, polyethylene, methyl 3-[1,3,3,3-tetramethyl-1-(trimethylsiloxy)disiloxanyl]propyl ether|Pentra-Bark|Poly(oxy-1,2-ethanediyl), alpha-methyl-omega-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]-|Polyethylene glycol mono(3-(tetramethyl-1-(trimethylsiloxy)disiloxanyl)propyl)ether|Polyethylene glycol monomethyl ether mono[3-[methylbis(trimethylsiloxy)silyl]propyl] ether|Silwet L 77|1234475-81-0|1369526-66-8|150266-49-2|185116-92-1|193764-85-1|2204277-36-9|275373-95-0|2857059-61-9|512187-29-0|882006-00-0|883881-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040611
ARPathway2016 ARPathway2016_138 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1 DTXSID1040611 True antagonist shift (Hit/Hit) 4.0 AR Pathway Model, Antagonist Call Inactive Unitless COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C |lp:1:2,4:2,10:2,15:2,Sg:n:3,2,1::ht| 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|Glycols, polyethylene, methyl 3-[1,3,3,3-tetramethyl-1-(trimethylsiloxy)disiloxanyl]propyl ether|Pentra-Bark|Poly(oxy-1,2-ethanediyl), alpha-methyl-omega-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]-|Polyethylene glycol mono(3-(tetramethyl-1-(trimethylsiloxy)disiloxanyl)propyl)ether|Polyethylene glycol monomethyl ether mono[3-[methylbis(trimethylsiloxy)silyl]propyl] ether|Silwet L 77|1234475-81-0|1369526-66-8|150266-49-2|185116-92-1|193764-85-1|2204277-36-9|275373-95-0|2857059-61-9|512187-29-0|882006-00-0|883881-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040611
ERPathway2016 ERPathway2016_68 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1 DTXSID1040611 ER Pathway Model, Agonist AC50 12.5581530931726 uM COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C |lp:1:2,4:2,10:2,15:2,Sg:n:3,2,1::ht| 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|Glycols, polyethylene, methyl 3-[1,3,3,3-tetramethyl-1-(trimethylsiloxy)disiloxanyl]propyl ether|Pentra-Bark|Poly(oxy-1,2-ethanediyl), alpha-methyl-omega-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]-|Polyethylene glycol mono(3-(tetramethyl-1-(trimethylsiloxy)disiloxanyl)propyl)ether|Polyethylene glycol monomethyl ether mono[3-[methylbis(trimethylsiloxy)silyl]propyl] ether|Silwet L 77|1234475-81-0|1369526-66-8|150266-49-2|185116-92-1|193764-85-1|2204277-36-9|275373-95-0|2857059-61-9|512187-29-0|882006-00-0|883881-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040611
ERPathway2016 ERPathway2016_68 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1 DTXSID1040611 ER Pathway Model, Agonist ACC 13.8513222426276 uM COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C |lp:1:2,4:2,10:2,15:2,Sg:n:3,2,1::ht| 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|Glycols, polyethylene, methyl 3-[1,3,3,3-tetramethyl-1-(trimethylsiloxy)disiloxanyl]propyl ether|Pentra-Bark|Poly(oxy-1,2-ethanediyl), alpha-methyl-omega-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]-|Polyethylene glycol mono(3-(tetramethyl-1-(trimethylsiloxy)disiloxanyl)propyl)ether|Polyethylene glycol monomethyl ether mono[3-[methylbis(trimethylsiloxy)silyl]propyl] ether|Silwet L 77|1234475-81-0|1369526-66-8|150266-49-2|185116-92-1|193764-85-1|2204277-36-9|275373-95-0|2857059-61-9|512187-29-0|882006-00-0|883881-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040611
ERPathway2016 ERPathway2016_68 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1 DTXSID1040611 ER Pathway Model, Agonist Model Score 0 Unitless COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C |lp:1:2,4:2,10:2,15:2,Sg:n:3,2,1::ht| 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|Glycols, polyethylene, methyl 3-[1,3,3,3-tetramethyl-1-(trimethylsiloxy)disiloxanyl]propyl ether|Pentra-Bark|Poly(oxy-1,2-ethanediyl), alpha-methyl-omega-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]-|Polyethylene glycol mono(3-(tetramethyl-1-(trimethylsiloxy)disiloxanyl)propyl)ether|Polyethylene glycol monomethyl ether mono[3-[methylbis(trimethylsiloxy)silyl]propyl] ether|Silwet L 77|1234475-81-0|1369526-66-8|150266-49-2|185116-92-1|193764-85-1|2204277-36-9|275373-95-0|2857059-61-9|512187-29-0|882006-00-0|883881-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040611
ERPathway2016 ERPathway2016_68 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1 DTXSID1040611 ER Pathway Model, Antagonist Model Score 0.0464 Unitless COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C |lp:1:2,4:2,10:2,15:2,Sg:n:3,2,1::ht| 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|Glycols, polyethylene, methyl 3-[1,3,3,3-tetramethyl-1-(trimethylsiloxy)disiloxanyl]propyl ether|Pentra-Bark|Poly(oxy-1,2-ethanediyl), alpha-methyl-omega-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]-|Polyethylene glycol mono(3-(tetramethyl-1-(trimethylsiloxy)disiloxanyl)propyl)ether|Polyethylene glycol monomethyl ether mono[3-[methylbis(trimethylsiloxy)silyl]propyl] ether|Silwet L 77|1234475-81-0|1369526-66-8|150266-49-2|185116-92-1|193764-85-1|2204277-36-9|275373-95-0|2857059-61-9|512187-29-0|882006-00-0|883881-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040611
ERPathway2016 ERPathway2016_68 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1 DTXSID1040611 ER Pathway Model, Agonist Call Active Unitless COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C |lp:1:2,4:2,10:2,15:2,Sg:n:3,2,1::ht| 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|Glycols, polyethylene, methyl 3-[1,3,3,3-tetramethyl-1-(trimethylsiloxy)disiloxanyl]propyl ether|Pentra-Bark|Poly(oxy-1,2-ethanediyl), alpha-methyl-omega-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]-|Polyethylene glycol mono(3-(tetramethyl-1-(trimethylsiloxy)disiloxanyl)propyl)ether|Polyethylene glycol monomethyl ether mono[3-[methylbis(trimethylsiloxy)silyl]propyl] ether|Silwet L 77|1234475-81-0|1369526-66-8|150266-49-2|185116-92-1|193764-85-1|2204277-36-9|275373-95-0|2857059-61-9|512187-29-0|882006-00-0|883881-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040611
ERPathway2016 ERPathway2016_68 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1 DTXSID1040611 ER Pathway Model, Antagonist Call Inactive Unitless COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C |lp:1:2,4:2,10:2,15:2,Sg:n:3,2,1::ht| 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol 27306-78-1|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol|Glycols, polyethylene, methyl 3-[1,3,3,3-tetramethyl-1-(trimethylsiloxy)disiloxanyl]propyl ether|Pentra-Bark|Poly(oxy-1,2-ethanediyl), alpha-methyl-omega-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]-|Polyethylene glycol mono(3-(tetramethyl-1-(trimethylsiloxy)disiloxanyl)propyl)ether|Polyethylene glycol monomethyl ether mono[3-[methylbis(trimethylsiloxy)silyl]propyl] ether|Silwet L 77|1234475-81-0|1369526-66-8|150266-49-2|185116-92-1|193764-85-1|2204277-36-9|275373-95-0|2857059-61-9|512187-29-0|882006-00-0|883881-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040611
ARPathway2016 ARPathway2016_814 3-Phenoxybenzenemethanol 13826-35-2 DTXSID7027756 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless OCC1=CC=CC(OC2=CC=CC=C2)=C1 3-Phenoxybenzenemethanol 13826-35-2|3-Phenoxybenzenemethanol|(3-Phenoxyphenyl)methanol|1-hydroxymethyl-3-phenoxybenzene|3-(Hydroxymethyl)diphenyl ether|3-06-00-04545|3-PBOH|3-Phenoxybenzyl alcohol|3-Phenoxybenzylalcohol|3-Phenoxybenzylic alcohol|Benzenemethanol, 3-phenoxy-|BRN 0475312|EINECS 237-525-1|m-Phenoxybenzyl alcohol|185532-86-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027756
ARPathway2016 ARPathway2016_814 3-Phenoxybenzenemethanol 13826-35-2 DTXSID7027756 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless OCC1=CC=CC(OC2=CC=CC=C2)=C1 3-Phenoxybenzenemethanol 13826-35-2|3-Phenoxybenzenemethanol|(3-Phenoxyphenyl)methanol|1-hydroxymethyl-3-phenoxybenzene|3-(Hydroxymethyl)diphenyl ether|3-06-00-04545|3-PBOH|3-Phenoxybenzyl alcohol|3-Phenoxybenzylalcohol|3-Phenoxybenzylic alcohol|Benzenemethanol, 3-phenoxy-|BRN 0475312|EINECS 237-525-1|m-Phenoxybenzyl alcohol|185532-86-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027756
ARPathway2016 ARPathway2016_814 3-Phenoxybenzenemethanol 13826-35-2 DTXSID7027756 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Inactive Unitless OCC1=CC=CC(OC2=CC=CC=C2)=C1 3-Phenoxybenzenemethanol 13826-35-2|3-Phenoxybenzenemethanol|(3-Phenoxyphenyl)methanol|1-hydroxymethyl-3-phenoxybenzene|3-(Hydroxymethyl)diphenyl ether|3-06-00-04545|3-PBOH|3-Phenoxybenzyl alcohol|3-Phenoxybenzylalcohol|3-Phenoxybenzylic alcohol|Benzenemethanol, 3-phenoxy-|BRN 0475312|EINECS 237-525-1|m-Phenoxybenzyl alcohol|185532-86-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027756
ARPathway2016 ARPathway2016_814 3-Phenoxybenzenemethanol 13826-35-2 DTXSID7027756 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless OCC1=CC=CC(OC2=CC=CC=C2)=C1 3-Phenoxybenzenemethanol 13826-35-2|3-Phenoxybenzenemethanol|(3-Phenoxyphenyl)methanol|1-hydroxymethyl-3-phenoxybenzene|3-(Hydroxymethyl)diphenyl ether|3-06-00-04545|3-PBOH|3-Phenoxybenzyl alcohol|3-Phenoxybenzylalcohol|3-Phenoxybenzylic alcohol|Benzenemethanol, 3-phenoxy-|BRN 0475312|EINECS 237-525-1|m-Phenoxybenzyl alcohol|185532-86-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027756
ERPathway2016 ERPathway2016_260 3-Phenoxybenzenemethanol 13826-35-2 DTXSID7027756 ER Pathway Model, Antagonist AC50 57.7172985712526 uM OCC1=CC=CC(OC2=CC=CC=C2)=C1 3-Phenoxybenzenemethanol 13826-35-2|3-Phenoxybenzenemethanol|(3-Phenoxyphenyl)methanol|1-hydroxymethyl-3-phenoxybenzene|3-(Hydroxymethyl)diphenyl ether|3-06-00-04545|3-PBOH|3-Phenoxybenzyl alcohol|3-Phenoxybenzylalcohol|3-Phenoxybenzylic alcohol|Benzenemethanol, 3-phenoxy-|BRN 0475312|EINECS 237-525-1|m-Phenoxybenzyl alcohol|185532-86-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027756
ERPathway2016 ERPathway2016_260 3-Phenoxybenzenemethanol 13826-35-2 DTXSID7027756 ER Pathway Model, Antagonist ACC 29.2585898903282 uM OCC1=CC=CC(OC2=CC=CC=C2)=C1 3-Phenoxybenzenemethanol 13826-35-2|3-Phenoxybenzenemethanol|(3-Phenoxyphenyl)methanol|1-hydroxymethyl-3-phenoxybenzene|3-(Hydroxymethyl)diphenyl ether|3-06-00-04545|3-PBOH|3-Phenoxybenzyl alcohol|3-Phenoxybenzylalcohol|3-Phenoxybenzylic alcohol|Benzenemethanol, 3-phenoxy-|BRN 0475312|EINECS 237-525-1|m-Phenoxybenzyl alcohol|185532-86-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027756
ERPathway2016 ERPathway2016_260 3-Phenoxybenzenemethanol 13826-35-2 DTXSID7027756 ER Pathway Model, Agonist Model Score 0.0657 Unitless OCC1=CC=CC(OC2=CC=CC=C2)=C1 3-Phenoxybenzenemethanol 13826-35-2|3-Phenoxybenzenemethanol|(3-Phenoxyphenyl)methanol|1-hydroxymethyl-3-phenoxybenzene|3-(Hydroxymethyl)diphenyl ether|3-06-00-04545|3-PBOH|3-Phenoxybenzyl alcohol|3-Phenoxybenzylalcohol|3-Phenoxybenzylic alcohol|Benzenemethanol, 3-phenoxy-|BRN 0475312|EINECS 237-525-1|m-Phenoxybenzyl alcohol|185532-86-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027756
ERPathway2016 ERPathway2016_260 3-Phenoxybenzenemethanol 13826-35-2 DTXSID7027756 ER Pathway Model, Antagonist Model Score 0 Unitless OCC1=CC=CC(OC2=CC=CC=C2)=C1 3-Phenoxybenzenemethanol 13826-35-2|3-Phenoxybenzenemethanol|(3-Phenoxyphenyl)methanol|1-hydroxymethyl-3-phenoxybenzene|3-(Hydroxymethyl)diphenyl ether|3-06-00-04545|3-PBOH|3-Phenoxybenzyl alcohol|3-Phenoxybenzylalcohol|3-Phenoxybenzylic alcohol|Benzenemethanol, 3-phenoxy-|BRN 0475312|EINECS 237-525-1|m-Phenoxybenzyl alcohol|185532-86-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027756
ERPathway2016 ERPathway2016_260 3-Phenoxybenzenemethanol 13826-35-2 DTXSID7027756 ER Pathway Model, Agonist Call Inactive Unitless OCC1=CC=CC(OC2=CC=CC=C2)=C1 3-Phenoxybenzenemethanol 13826-35-2|3-Phenoxybenzenemethanol|(3-Phenoxyphenyl)methanol|1-hydroxymethyl-3-phenoxybenzene|3-(Hydroxymethyl)diphenyl ether|3-06-00-04545|3-PBOH|3-Phenoxybenzyl alcohol|3-Phenoxybenzylalcohol|3-Phenoxybenzylic alcohol|Benzenemethanol, 3-phenoxy-|BRN 0475312|EINECS 237-525-1|m-Phenoxybenzyl alcohol|185532-86-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027756
ERPathway2016 ERPathway2016_260 3-Phenoxybenzenemethanol 13826-35-2 DTXSID7027756 ER Pathway Model, Antagonist Call Active Unitless OCC1=CC=CC(OC2=CC=CC=C2)=C1 3-Phenoxybenzenemethanol 13826-35-2|3-Phenoxybenzenemethanol|(3-Phenoxyphenyl)methanol|1-hydroxymethyl-3-phenoxybenzene|3-(Hydroxymethyl)diphenyl ether|3-06-00-04545|3-PBOH|3-Phenoxybenzyl alcohol|3-Phenoxybenzylalcohol|3-Phenoxybenzylic alcohol|Benzenemethanol, 3-phenoxy-|BRN 0475312|EINECS 237-525-1|m-Phenoxybenzyl alcohol|185532-86-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027756
ARPathway2016 ARPathway2016_1177 3-Phenoxybenzoic acid 3739-38-6 DTXSID1038321 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1 3-Phenoxybenzoic acid 3739-38-6|3-Phenoxybenzoic acid|223-121-2|3-carboxybiphenyl ether|3-carboxydiphenyl ether|3-PB acid|3-PBA|3-PhOC6H4CO2H|3-PhOC6H4COOH|Benzoic acid, 3-phenoxy-|BRN 2105574|diphenyl ether 3-carboxylic acid|EC No.: 223-121-2|EINECS 223-121-2|m-carboxydiphenyl ether|m-phenoxybenzoic acid|meta-phenoxybenzoic acid|mPBA|PBA https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038321
ARPathway2016 ARPathway2016_1177 3-Phenoxybenzoic acid 3739-38-6 DTXSID1038321 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1 3-Phenoxybenzoic acid 3739-38-6|3-Phenoxybenzoic acid|223-121-2|3-carboxybiphenyl ether|3-carboxydiphenyl ether|3-PB acid|3-PBA|3-PhOC6H4CO2H|3-PhOC6H4COOH|Benzoic acid, 3-phenoxy-|BRN 2105574|diphenyl ether 3-carboxylic acid|EC No.: 223-121-2|EINECS 223-121-2|m-carboxydiphenyl ether|m-phenoxybenzoic acid|meta-phenoxybenzoic acid|mPBA|PBA https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038321
ARPathway2016 ARPathway2016_1177 3-Phenoxybenzoic acid 3739-38-6 DTXSID1038321 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1 3-Phenoxybenzoic acid 3739-38-6|3-Phenoxybenzoic acid|223-121-2|3-carboxybiphenyl ether|3-carboxydiphenyl ether|3-PB acid|3-PBA|3-PhOC6H4CO2H|3-PhOC6H4COOH|Benzoic acid, 3-phenoxy-|BRN 2105574|diphenyl ether 3-carboxylic acid|EC No.: 223-121-2|EINECS 223-121-2|m-carboxydiphenyl ether|m-phenoxybenzoic acid|meta-phenoxybenzoic acid|mPBA|PBA https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038321
ARPathway2016 ARPathway2016_1177 3-Phenoxybenzoic acid 3739-38-6 DTXSID1038321 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1 3-Phenoxybenzoic acid 3739-38-6|3-Phenoxybenzoic acid|223-121-2|3-carboxybiphenyl ether|3-carboxydiphenyl ether|3-PB acid|3-PBA|3-PhOC6H4CO2H|3-PhOC6H4COOH|Benzoic acid, 3-phenoxy-|BRN 2105574|diphenyl ether 3-carboxylic acid|EC No.: 223-121-2|EINECS 223-121-2|m-carboxydiphenyl ether|m-phenoxybenzoic acid|meta-phenoxybenzoic acid|mPBA|PBA https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038321
ERPathway2016 ERPathway2016_1473 3-Phenoxybenzoic acid 3739-38-6 DTXSID1038321 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1 3-Phenoxybenzoic acid 3739-38-6|3-Phenoxybenzoic acid|223-121-2|3-carboxybiphenyl ether|3-carboxydiphenyl ether|3-PB acid|3-PBA|3-PhOC6H4CO2H|3-PhOC6H4COOH|Benzoic acid, 3-phenoxy-|BRN 2105574|diphenyl ether 3-carboxylic acid|EC No.: 223-121-2|EINECS 223-121-2|m-carboxydiphenyl ether|m-phenoxybenzoic acid|meta-phenoxybenzoic acid|mPBA|PBA https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038321
ERPathway2016 ERPathway2016_1473 3-Phenoxybenzoic acid 3739-38-6 DTXSID1038321 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1 3-Phenoxybenzoic acid 3739-38-6|3-Phenoxybenzoic acid|223-121-2|3-carboxybiphenyl ether|3-carboxydiphenyl ether|3-PB acid|3-PBA|3-PhOC6H4CO2H|3-PhOC6H4COOH|Benzoic acid, 3-phenoxy-|BRN 2105574|diphenyl ether 3-carboxylic acid|EC No.: 223-121-2|EINECS 223-121-2|m-carboxydiphenyl ether|m-phenoxybenzoic acid|meta-phenoxybenzoic acid|mPBA|PBA https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038321
ERPathway2016 ERPathway2016_1473 3-Phenoxybenzoic acid 3739-38-6 DTXSID1038321 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1 3-Phenoxybenzoic acid 3739-38-6|3-Phenoxybenzoic acid|223-121-2|3-carboxybiphenyl ether|3-carboxydiphenyl ether|3-PB acid|3-PBA|3-PhOC6H4CO2H|3-PhOC6H4COOH|Benzoic acid, 3-phenoxy-|BRN 2105574|diphenyl ether 3-carboxylic acid|EC No.: 223-121-2|EINECS 223-121-2|m-carboxydiphenyl ether|m-phenoxybenzoic acid|meta-phenoxybenzoic acid|mPBA|PBA https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038321
ERPathway2016 ERPathway2016_1473 3-Phenoxybenzoic acid 3739-38-6 DTXSID1038321 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1 3-Phenoxybenzoic acid 3739-38-6|3-Phenoxybenzoic acid|223-121-2|3-carboxybiphenyl ether|3-carboxydiphenyl ether|3-PB acid|3-PBA|3-PhOC6H4CO2H|3-PhOC6H4COOH|Benzoic acid, 3-phenoxy-|BRN 2105574|diphenyl ether 3-carboxylic acid|EC No.: 223-121-2|EINECS 223-121-2|m-carboxydiphenyl ether|m-phenoxybenzoic acid|meta-phenoxybenzoic acid|mPBA|PBA https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038321
ARPathway2016 ARPathway2016_448 3-Phenyl-2-propen-1-ol 104-54-1 DTXSID9041491 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCC=CC1=CC=CC=C1 3-Phenyl-2-propen-1-ol 104-54-1|3-Phenyl-2-propen-1-ol|1-06-00-00281|1-Phenyl-3-hydroxy-1-propene|1-Phenylprop-1-en-3-ol|2-Propen-1-ol, 3-phenyl-|203-212-3|3-Fenyl-2-propen-1-ol|3-Hydroxy-1-phenylprop-1-ene|3-Phenyl-2-propene-1-ol|3-Phenyl-2-propenol|3-Phenylallyl alcohol|alcohol cinamilico|Alcool cinnamylique|Alkohol skoricovy|BRN 1903999|Cinnamic alcohol|Cinnamyl alcohol|Cinnamylalkohol|EC No.: 203-212-3|EINECS 203-212-3|FEMA No. 2294|gamma-Phenylallyl alcohol|NSC 623440|NSC 8775|Phenyl-2-propen-1-ol|PROP-2-EN-1-OL, 3-PHENYL-|Propenoic acid, 3-phenyl-, (trans)-|Styrone|Styryl alcohol|Styryl carbinol|Zimtalcohol|ZIMTALKOHOL|g-Phenylallyl alcohol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041491
ARPathway2016 ARPathway2016_448 3-Phenyl-2-propen-1-ol 104-54-1 DTXSID9041491 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCC=CC1=CC=CC=C1 3-Phenyl-2-propen-1-ol 104-54-1|3-Phenyl-2-propen-1-ol|1-06-00-00281|1-Phenyl-3-hydroxy-1-propene|1-Phenylprop-1-en-3-ol|2-Propen-1-ol, 3-phenyl-|203-212-3|3-Fenyl-2-propen-1-ol|3-Hydroxy-1-phenylprop-1-ene|3-Phenyl-2-propene-1-ol|3-Phenyl-2-propenol|3-Phenylallyl alcohol|alcohol cinamilico|Alcool cinnamylique|Alkohol skoricovy|BRN 1903999|Cinnamic alcohol|Cinnamyl alcohol|Cinnamylalkohol|EC No.: 203-212-3|EINECS 203-212-3|FEMA No. 2294|gamma-Phenylallyl alcohol|NSC 623440|NSC 8775|Phenyl-2-propen-1-ol|PROP-2-EN-1-OL, 3-PHENYL-|Propenoic acid, 3-phenyl-, (trans)-|Styrone|Styryl alcohol|Styryl carbinol|Zimtalcohol|ZIMTALKOHOL|g-Phenylallyl alcohol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041491
ARPathway2016 ARPathway2016_448 3-Phenyl-2-propen-1-ol 104-54-1 DTXSID9041491 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCC=CC1=CC=CC=C1 3-Phenyl-2-propen-1-ol 104-54-1|3-Phenyl-2-propen-1-ol|1-06-00-00281|1-Phenyl-3-hydroxy-1-propene|1-Phenylprop-1-en-3-ol|2-Propen-1-ol, 3-phenyl-|203-212-3|3-Fenyl-2-propen-1-ol|3-Hydroxy-1-phenylprop-1-ene|3-Phenyl-2-propene-1-ol|3-Phenyl-2-propenol|3-Phenylallyl alcohol|alcohol cinamilico|Alcool cinnamylique|Alkohol skoricovy|BRN 1903999|Cinnamic alcohol|Cinnamyl alcohol|Cinnamylalkohol|EC No.: 203-212-3|EINECS 203-212-3|FEMA No. 2294|gamma-Phenylallyl alcohol|NSC 623440|NSC 8775|Phenyl-2-propen-1-ol|PROP-2-EN-1-OL, 3-PHENYL-|Propenoic acid, 3-phenyl-, (trans)-|Styrone|Styryl alcohol|Styryl carbinol|Zimtalcohol|ZIMTALKOHOL|g-Phenylallyl alcohol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041491
ARPathway2016 ARPathway2016_448 3-Phenyl-2-propen-1-ol 104-54-1 DTXSID9041491 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCC=CC1=CC=CC=C1 3-Phenyl-2-propen-1-ol 104-54-1|3-Phenyl-2-propen-1-ol|1-06-00-00281|1-Phenyl-3-hydroxy-1-propene|1-Phenylprop-1-en-3-ol|2-Propen-1-ol, 3-phenyl-|203-212-3|3-Fenyl-2-propen-1-ol|3-Hydroxy-1-phenylprop-1-ene|3-Phenyl-2-propene-1-ol|3-Phenyl-2-propenol|3-Phenylallyl alcohol|alcohol cinamilico|Alcool cinnamylique|Alkohol skoricovy|BRN 1903999|Cinnamic alcohol|Cinnamyl alcohol|Cinnamylalkohol|EC No.: 203-212-3|EINECS 203-212-3|FEMA No. 2294|gamma-Phenylallyl alcohol|NSC 623440|NSC 8775|Phenyl-2-propen-1-ol|PROP-2-EN-1-OL, 3-PHENYL-|Propenoic acid, 3-phenyl-, (trans)-|Styrone|Styryl alcohol|Styryl carbinol|Zimtalcohol|ZIMTALKOHOL|g-Phenylallyl alcohol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041491
ERPathway2016 ERPathway2016_414 3-Phenyl-2-propen-1-ol 104-54-1 DTXSID9041491 ER Pathway Model, Antagonist AC50 62.9650975954467 uM OCC=CC1=CC=CC=C1 3-Phenyl-2-propen-1-ol 104-54-1|3-Phenyl-2-propen-1-ol|1-06-00-00281|1-Phenyl-3-hydroxy-1-propene|1-Phenylprop-1-en-3-ol|2-Propen-1-ol, 3-phenyl-|203-212-3|3-Fenyl-2-propen-1-ol|3-Hydroxy-1-phenylprop-1-ene|3-Phenyl-2-propene-1-ol|3-Phenyl-2-propenol|3-Phenylallyl alcohol|alcohol cinamilico|Alcool cinnamylique|Alkohol skoricovy|BRN 1903999|Cinnamic alcohol|Cinnamyl alcohol|Cinnamylalkohol|EC No.: 203-212-3|EINECS 203-212-3|FEMA No. 2294|gamma-Phenylallyl alcohol|NSC 623440|NSC 8775|Phenyl-2-propen-1-ol|PROP-2-EN-1-OL, 3-PHENYL-|Propenoic acid, 3-phenyl-, (trans)-|Styrone|Styryl alcohol|Styryl carbinol|Zimtalcohol|ZIMTALKOHOL|g-Phenylallyl alcohol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041491
ERPathway2016 ERPathway2016_414 3-Phenyl-2-propen-1-ol 104-54-1 DTXSID9041491 ER Pathway Model, Antagonist ACC 42.079892248649 uM OCC=CC1=CC=CC=C1 3-Phenyl-2-propen-1-ol 104-54-1|3-Phenyl-2-propen-1-ol|1-06-00-00281|1-Phenyl-3-hydroxy-1-propene|1-Phenylprop-1-en-3-ol|2-Propen-1-ol, 3-phenyl-|203-212-3|3-Fenyl-2-propen-1-ol|3-Hydroxy-1-phenylprop-1-ene|3-Phenyl-2-propene-1-ol|3-Phenyl-2-propenol|3-Phenylallyl alcohol|alcohol cinamilico|Alcool cinnamylique|Alkohol skoricovy|BRN 1903999|Cinnamic alcohol|Cinnamyl alcohol|Cinnamylalkohol|EC No.: 203-212-3|EINECS 203-212-3|FEMA No. 2294|gamma-Phenylallyl alcohol|NSC 623440|NSC 8775|Phenyl-2-propen-1-ol|PROP-2-EN-1-OL, 3-PHENYL-|Propenoic acid, 3-phenyl-, (trans)-|Styrone|Styryl alcohol|Styryl carbinol|Zimtalcohol|ZIMTALKOHOL|g-Phenylallyl alcohol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041491
ERPathway2016 ERPathway2016_414 3-Phenyl-2-propen-1-ol 104-54-1 DTXSID9041491 ER Pathway Model, Agonist Model Score 0.00786 Unitless OCC=CC1=CC=CC=C1 3-Phenyl-2-propen-1-ol 104-54-1|3-Phenyl-2-propen-1-ol|1-06-00-00281|1-Phenyl-3-hydroxy-1-propene|1-Phenylprop-1-en-3-ol|2-Propen-1-ol, 3-phenyl-|203-212-3|3-Fenyl-2-propen-1-ol|3-Hydroxy-1-phenylprop-1-ene|3-Phenyl-2-propene-1-ol|3-Phenyl-2-propenol|3-Phenylallyl alcohol|alcohol cinamilico|Alcool cinnamylique|Alkohol skoricovy|BRN 1903999|Cinnamic alcohol|Cinnamyl alcohol|Cinnamylalkohol|EC No.: 203-212-3|EINECS 203-212-3|FEMA No. 2294|gamma-Phenylallyl alcohol|NSC 623440|NSC 8775|Phenyl-2-propen-1-ol|PROP-2-EN-1-OL, 3-PHENYL-|Propenoic acid, 3-phenyl-, (trans)-|Styrone|Styryl alcohol|Styryl carbinol|Zimtalcohol|ZIMTALKOHOL|g-Phenylallyl alcohol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041491
ERPathway2016 ERPathway2016_414 3-Phenyl-2-propen-1-ol 104-54-1 DTXSID9041491 ER Pathway Model, Antagonist Model Score 0 Unitless OCC=CC1=CC=CC=C1 3-Phenyl-2-propen-1-ol 104-54-1|3-Phenyl-2-propen-1-ol|1-06-00-00281|1-Phenyl-3-hydroxy-1-propene|1-Phenylprop-1-en-3-ol|2-Propen-1-ol, 3-phenyl-|203-212-3|3-Fenyl-2-propen-1-ol|3-Hydroxy-1-phenylprop-1-ene|3-Phenyl-2-propene-1-ol|3-Phenyl-2-propenol|3-Phenylallyl alcohol|alcohol cinamilico|Alcool cinnamylique|Alkohol skoricovy|BRN 1903999|Cinnamic alcohol|Cinnamyl alcohol|Cinnamylalkohol|EC No.: 203-212-3|EINECS 203-212-3|FEMA No. 2294|gamma-Phenylallyl alcohol|NSC 623440|NSC 8775|Phenyl-2-propen-1-ol|PROP-2-EN-1-OL, 3-PHENYL-|Propenoic acid, 3-phenyl-, (trans)-|Styrone|Styryl alcohol|Styryl carbinol|Zimtalcohol|ZIMTALKOHOL|g-Phenylallyl alcohol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041491
ERPathway2016 ERPathway2016_414 3-Phenyl-2-propen-1-ol 104-54-1 DTXSID9041491 ER Pathway Model, Agonist Call Inactive Unitless OCC=CC1=CC=CC=C1 3-Phenyl-2-propen-1-ol 104-54-1|3-Phenyl-2-propen-1-ol|1-06-00-00281|1-Phenyl-3-hydroxy-1-propene|1-Phenylprop-1-en-3-ol|2-Propen-1-ol, 3-phenyl-|203-212-3|3-Fenyl-2-propen-1-ol|3-Hydroxy-1-phenylprop-1-ene|3-Phenyl-2-propene-1-ol|3-Phenyl-2-propenol|3-Phenylallyl alcohol|alcohol cinamilico|Alcool cinnamylique|Alkohol skoricovy|BRN 1903999|Cinnamic alcohol|Cinnamyl alcohol|Cinnamylalkohol|EC No.: 203-212-3|EINECS 203-212-3|FEMA No. 2294|gamma-Phenylallyl alcohol|NSC 623440|NSC 8775|Phenyl-2-propen-1-ol|PROP-2-EN-1-OL, 3-PHENYL-|Propenoic acid, 3-phenyl-, (trans)-|Styrone|Styryl alcohol|Styryl carbinol|Zimtalcohol|ZIMTALKOHOL|g-Phenylallyl alcohol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041491
ERPathway2016 ERPathway2016_414 3-Phenyl-2-propen-1-ol 104-54-1 DTXSID9041491 ER Pathway Model, Antagonist Call Active Unitless OCC=CC1=CC=CC=C1 3-Phenyl-2-propen-1-ol 104-54-1|3-Phenyl-2-propen-1-ol|1-06-00-00281|1-Phenyl-3-hydroxy-1-propene|1-Phenylprop-1-en-3-ol|2-Propen-1-ol, 3-phenyl-|203-212-3|3-Fenyl-2-propen-1-ol|3-Hydroxy-1-phenylprop-1-ene|3-Phenyl-2-propene-1-ol|3-Phenyl-2-propenol|3-Phenylallyl alcohol|alcohol cinamilico|Alcool cinnamylique|Alkohol skoricovy|BRN 1903999|Cinnamic alcohol|Cinnamyl alcohol|Cinnamylalkohol|EC No.: 203-212-3|EINECS 203-212-3|FEMA No. 2294|gamma-Phenylallyl alcohol|NSC 623440|NSC 8775|Phenyl-2-propen-1-ol|PROP-2-EN-1-OL, 3-PHENYL-|Propenoic acid, 3-phenyl-, (trans)-|Styrone|Styryl alcohol|Styryl carbinol|Zimtalcohol|ZIMTALKOHOL|g-Phenylallyl alcohol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041491
ARPathway2016 ARPathway2016_1214 3-Phenylhexane 4468-42-2 DTXSID4041492 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC(CC)C1=CC=CC=C1 3-Phenylhexane 4468-42-2|3-Phenylhexane https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041492
ARPathway2016 ARPathway2016_1214 3-Phenylhexane 4468-42-2 DTXSID4041492 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCC(CC)C1=CC=CC=C1 3-Phenylhexane 4468-42-2|3-Phenylhexane https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041492
ARPathway2016 ARPathway2016_1214 3-Phenylhexane 4468-42-2 DTXSID4041492 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCC(CC)C1=CC=CC=C1 3-Phenylhexane 4468-42-2|3-Phenylhexane https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041492
ARPathway2016 ARPathway2016_1214 3-Phenylhexane 4468-42-2 DTXSID4041492 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCC(CC)C1=CC=CC=C1 3-Phenylhexane 4468-42-2|3-Phenylhexane https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041492
ERPathway2016 ERPathway2016_903 3-Phenylhexane 4468-42-2 DTXSID4041492 ER Pathway Model, Agonist Model Score 0 Unitless CCCC(CC)C1=CC=CC=C1 3-Phenylhexane 4468-42-2|3-Phenylhexane https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041492
ERPathway2016 ERPathway2016_903 3-Phenylhexane 4468-42-2 DTXSID4041492 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC(CC)C1=CC=CC=C1 3-Phenylhexane 4468-42-2|3-Phenylhexane https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041492
ERPathway2016 ERPathway2016_903 3-Phenylhexane 4468-42-2 DTXSID4041492 ER Pathway Model, Agonist Call Inactive Unitless CCCC(CC)C1=CC=CC=C1 3-Phenylhexane 4468-42-2|3-Phenylhexane https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041492
ERPathway2016 ERPathway2016_903 3-Phenylhexane 4468-42-2 DTXSID4041492 ER Pathway Model, Antagonist Call Inactive Unitless CCCC(CC)C1=CC=CC=C1 3-Phenylhexane 4468-42-2|3-Phenylhexane https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041492
ARPathway2016 ARPathway2016_400 3-Pyridinecarbonitrile 100-54-9 DTXSID1026665 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless N#CC1=CN=CC=C1 3-Pyridinecarbonitrile 100-54-9|3-Pyridinecarbonitrile|3-Azabenzonitrile|3-Cyanopyridine|3-Cyjanopirydyna|3-Pyridinecarboxylic acid, nitrile|3-Pyridinenitrile|3-Pyridyl cyanide|3-Pyridylcarbonitrile|5-22-02-00115|BRN 0107711|EINECS 202-863-0|Nicotinic acid nitrile|Nicotinonitril|Nicotinonitrile|nicotinonitrilo|Nitryl kwasu nikotynowego|NSC 17558|PYRIDINE, 3-CYANO-|UNII-X64V0K6260|b-Cyanopyridine https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026665
ARPathway2016 ARPathway2016_400 3-Pyridinecarbonitrile 100-54-9 DTXSID1026665 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless N#CC1=CN=CC=C1 3-Pyridinecarbonitrile 100-54-9|3-Pyridinecarbonitrile|3-Azabenzonitrile|3-Cyanopyridine|3-Cyjanopirydyna|3-Pyridinecarboxylic acid, nitrile|3-Pyridinenitrile|3-Pyridyl cyanide|3-Pyridylcarbonitrile|5-22-02-00115|BRN 0107711|EINECS 202-863-0|Nicotinic acid nitrile|Nicotinonitril|Nicotinonitrile|nicotinonitrilo|Nitryl kwasu nikotynowego|NSC 17558|PYRIDINE, 3-CYANO-|UNII-X64V0K6260|b-Cyanopyridine https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026665
ARPathway2016 ARPathway2016_400 3-Pyridinecarbonitrile 100-54-9 DTXSID1026665 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless N#CC1=CN=CC=C1 3-Pyridinecarbonitrile 100-54-9|3-Pyridinecarbonitrile|3-Azabenzonitrile|3-Cyanopyridine|3-Cyjanopirydyna|3-Pyridinecarboxylic acid, nitrile|3-Pyridinenitrile|3-Pyridyl cyanide|3-Pyridylcarbonitrile|5-22-02-00115|BRN 0107711|EINECS 202-863-0|Nicotinic acid nitrile|Nicotinonitril|Nicotinonitrile|nicotinonitrilo|Nitryl kwasu nikotynowego|NSC 17558|PYRIDINE, 3-CYANO-|UNII-X64V0K6260|b-Cyanopyridine https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026665
ARPathway2016 ARPathway2016_400 3-Pyridinecarbonitrile 100-54-9 DTXSID1026665 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless N#CC1=CN=CC=C1 3-Pyridinecarbonitrile 100-54-9|3-Pyridinecarbonitrile|3-Azabenzonitrile|3-Cyanopyridine|3-Cyjanopirydyna|3-Pyridinecarboxylic acid, nitrile|3-Pyridinenitrile|3-Pyridyl cyanide|3-Pyridylcarbonitrile|5-22-02-00115|BRN 0107711|EINECS 202-863-0|Nicotinic acid nitrile|Nicotinonitril|Nicotinonitrile|nicotinonitrilo|Nitryl kwasu nikotynowego|NSC 17558|PYRIDINE, 3-CYANO-|UNII-X64V0K6260|b-Cyanopyridine https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026665
ERPathway2016 ERPathway2016_1057 3-Pyridinecarbonitrile 100-54-9 DTXSID1026665 ER Pathway Model, Agonist Model Score 0 Unitless N#CC1=CN=CC=C1 3-Pyridinecarbonitrile 100-54-9|3-Pyridinecarbonitrile|3-Azabenzonitrile|3-Cyanopyridine|3-Cyjanopirydyna|3-Pyridinecarboxylic acid, nitrile|3-Pyridinenitrile|3-Pyridyl cyanide|3-Pyridylcarbonitrile|5-22-02-00115|BRN 0107711|EINECS 202-863-0|Nicotinic acid nitrile|Nicotinonitril|Nicotinonitrile|nicotinonitrilo|Nitryl kwasu nikotynowego|NSC 17558|PYRIDINE, 3-CYANO-|UNII-X64V0K6260|b-Cyanopyridine https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026665
ERPathway2016 ERPathway2016_1057 3-Pyridinecarbonitrile 100-54-9 DTXSID1026665 ER Pathway Model, Antagonist Model Score 0 Unitless N#CC1=CN=CC=C1 3-Pyridinecarbonitrile 100-54-9|3-Pyridinecarbonitrile|3-Azabenzonitrile|3-Cyanopyridine|3-Cyjanopirydyna|3-Pyridinecarboxylic acid, nitrile|3-Pyridinenitrile|3-Pyridyl cyanide|3-Pyridylcarbonitrile|5-22-02-00115|BRN 0107711|EINECS 202-863-0|Nicotinic acid nitrile|Nicotinonitril|Nicotinonitrile|nicotinonitrilo|Nitryl kwasu nikotynowego|NSC 17558|PYRIDINE, 3-CYANO-|UNII-X64V0K6260|b-Cyanopyridine https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026665
ERPathway2016 ERPathway2016_1057 3-Pyridinecarbonitrile 100-54-9 DTXSID1026665 ER Pathway Model, Agonist Call Inactive Unitless N#CC1=CN=CC=C1 3-Pyridinecarbonitrile 100-54-9|3-Pyridinecarbonitrile|3-Azabenzonitrile|3-Cyanopyridine|3-Cyjanopirydyna|3-Pyridinecarboxylic acid, nitrile|3-Pyridinenitrile|3-Pyridyl cyanide|3-Pyridylcarbonitrile|5-22-02-00115|BRN 0107711|EINECS 202-863-0|Nicotinic acid nitrile|Nicotinonitril|Nicotinonitrile|nicotinonitrilo|Nitryl kwasu nikotynowego|NSC 17558|PYRIDINE, 3-CYANO-|UNII-X64V0K6260|b-Cyanopyridine https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026665
ERPathway2016 ERPathway2016_1057 3-Pyridinecarbonitrile 100-54-9 DTXSID1026665 ER Pathway Model, Antagonist Call Inactive Unitless N#CC1=CN=CC=C1 3-Pyridinecarbonitrile 100-54-9|3-Pyridinecarbonitrile|3-Azabenzonitrile|3-Cyanopyridine|3-Cyjanopirydyna|3-Pyridinecarboxylic acid, nitrile|3-Pyridinenitrile|3-Pyridyl cyanide|3-Pyridylcarbonitrile|5-22-02-00115|BRN 0107711|EINECS 202-863-0|Nicotinic acid nitrile|Nicotinonitril|Nicotinonitrile|nicotinonitrilo|Nitryl kwasu nikotynowego|NSC 17558|PYRIDINE, 3-CYANO-|UNII-X64V0K6260|b-Cyanopyridine https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026665
ARPathway2016 ARPathway2016_1360 3-tert-Butylphenol 585-34-2 DTXSID9044825 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC=CC(O)=C1 3-tert-Butylphenol 585-34-2|3-tert-Butylphenol|EINECS 209-553-4|m-tert-Butylphenol|Phenol, 3-(1,1-dimethylethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044825
ARPathway2016 ARPathway2016_1360 3-tert-Butylphenol 585-34-2 DTXSID9044825 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC=CC(O)=C1 3-tert-Butylphenol 585-34-2|3-tert-Butylphenol|EINECS 209-553-4|m-tert-Butylphenol|Phenol, 3-(1,1-dimethylethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044825
ARPathway2016 ARPathway2016_1360 3-tert-Butylphenol 585-34-2 DTXSID9044825 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC=CC(O)=C1 3-tert-Butylphenol 585-34-2|3-tert-Butylphenol|EINECS 209-553-4|m-tert-Butylphenol|Phenol, 3-(1,1-dimethylethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044825
ARPathway2016 ARPathway2016_1360 3-tert-Butylphenol 585-34-2 DTXSID9044825 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC=CC(O)=C1 3-tert-Butylphenol 585-34-2|3-tert-Butylphenol|EINECS 209-553-4|m-tert-Butylphenol|Phenol, 3-(1,1-dimethylethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044825
ERPathway2016 ERPathway2016_325 3-tert-Butylphenol 585-34-2 DTXSID9044825 ER Pathway Model, Antagonist AC50 43.5495055936964 uM CC(C)(C)C1=CC=CC(O)=C1 3-tert-Butylphenol 585-34-2|3-tert-Butylphenol|EINECS 209-553-4|m-tert-Butylphenol|Phenol, 3-(1,1-dimethylethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044825
ERPathway2016 ERPathway2016_325 3-tert-Butylphenol 585-34-2 DTXSID9044825 ER Pathway Model, Antagonist ACC 40.8251999222025 uM CC(C)(C)C1=CC=CC(O)=C1 3-tert-Butylphenol 585-34-2|3-tert-Butylphenol|EINECS 209-553-4|m-tert-Butylphenol|Phenol, 3-(1,1-dimethylethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044825
ERPathway2016 ERPathway2016_325 3-tert-Butylphenol 585-34-2 DTXSID9044825 ER Pathway Model, Agonist Model Score 0.0248 Unitless CC(C)(C)C1=CC=CC(O)=C1 3-tert-Butylphenol 585-34-2|3-tert-Butylphenol|EINECS 209-553-4|m-tert-Butylphenol|Phenol, 3-(1,1-dimethylethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044825
ERPathway2016 ERPathway2016_325 3-tert-Butylphenol 585-34-2 DTXSID9044825 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC=CC(O)=C1 3-tert-Butylphenol 585-34-2|3-tert-Butylphenol|EINECS 209-553-4|m-tert-Butylphenol|Phenol, 3-(1,1-dimethylethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044825
ERPathway2016 ERPathway2016_325 3-tert-Butylphenol 585-34-2 DTXSID9044825 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC=CC(O)=C1 3-tert-Butylphenol 585-34-2|3-tert-Butylphenol|EINECS 209-553-4|m-tert-Butylphenol|Phenol, 3-(1,1-dimethylethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044825
ERPathway2016 ERPathway2016_325 3-tert-Butylphenol 585-34-2 DTXSID9044825 ER Pathway Model, Antagonist Call Active Unitless CC(C)(C)C1=CC=CC(O)=C1 3-tert-Butylphenol 585-34-2|3-tert-Butylphenol|EINECS 209-553-4|m-tert-Butylphenol|Phenol, 3-(1,1-dimethylethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044825
ARPathway2016 ARPathway2016_73 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9 DTXSID9022360 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 17.93950739 uM CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9|4-(1,1,3,3-Tetramethylbutyl)phenol|4-(1,1,3,3-tetrametilbutil)fenol|4-(2,2,4-Trimethylpentan-2-yl)phenol|4-(2,4,4-Trimethylpentan-2-yl)phenol|4-06-00-03484|4-Octylphenol|4-t-Octylphenol|4-tert-Octylphenol|4-TERT.-OCTYLPHENOL|BRN 0513992|EINECS 205-426-2|NSC 5427|NSC 7248|Octylphenol pt|p-(1,1,3,3-Tetramethylbutyl)phenol|p-(1',1',3',3'-Tetramethylbutyl)fenol|p-(Tert-octyl)-Phenol|p-Octylphenol|p-t-Octylphenol|p-terc.Oktylfenol|p-tert-Octylphenol|PARA-OCTYLPHENOL|para-tert-Octylphenol|Phenol, 4-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(tert-octyl)-|Tert-Octylphenol, flaked|UNII-IOY9FVU3J3|124765-79-3|37769-53-2|85771-77-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022360
ARPathway2016 ARPathway2016_73 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9 DTXSID9022360 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 16.22003121 uM CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9|4-(1,1,3,3-Tetramethylbutyl)phenol|4-(1,1,3,3-tetrametilbutil)fenol|4-(2,2,4-Trimethylpentan-2-yl)phenol|4-(2,4,4-Trimethylpentan-2-yl)phenol|4-06-00-03484|4-Octylphenol|4-t-Octylphenol|4-tert-Octylphenol|4-TERT.-OCTYLPHENOL|BRN 0513992|EINECS 205-426-2|NSC 5427|NSC 7248|Octylphenol pt|p-(1,1,3,3-Tetramethylbutyl)phenol|p-(1',1',3',3'-Tetramethylbutyl)fenol|p-(Tert-octyl)-Phenol|p-Octylphenol|p-t-Octylphenol|p-terc.Oktylfenol|p-tert-Octylphenol|PARA-OCTYLPHENOL|para-tert-Octylphenol|Phenol, 4-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(tert-octyl)-|Tert-Octylphenol, flaked|UNII-IOY9FVU3J3|124765-79-3|37769-53-2|85771-77-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022360
ARPathway2016 ARPathway2016_73 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9 DTXSID9022360 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.229 Unitless CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9|4-(1,1,3,3-Tetramethylbutyl)phenol|4-(1,1,3,3-tetrametilbutil)fenol|4-(2,2,4-Trimethylpentan-2-yl)phenol|4-(2,4,4-Trimethylpentan-2-yl)phenol|4-06-00-03484|4-Octylphenol|4-t-Octylphenol|4-tert-Octylphenol|4-TERT.-OCTYLPHENOL|BRN 0513992|EINECS 205-426-2|NSC 5427|NSC 7248|Octylphenol pt|p-(1,1,3,3-Tetramethylbutyl)phenol|p-(1',1',3',3'-Tetramethylbutyl)fenol|p-(Tert-octyl)-Phenol|p-Octylphenol|p-t-Octylphenol|p-terc.Oktylfenol|p-tert-Octylphenol|PARA-OCTYLPHENOL|para-tert-Octylphenol|Phenol, 4-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(tert-octyl)-|Tert-Octylphenol, flaked|UNII-IOY9FVU3J3|124765-79-3|37769-53-2|85771-77-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022360
ARPathway2016 ARPathway2016_73 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9 DTXSID9022360 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0.00354 Unitless CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9|4-(1,1,3,3-Tetramethylbutyl)phenol|4-(1,1,3,3-tetrametilbutil)fenol|4-(2,2,4-Trimethylpentan-2-yl)phenol|4-(2,4,4-Trimethylpentan-2-yl)phenol|4-06-00-03484|4-Octylphenol|4-t-Octylphenol|4-tert-Octylphenol|4-TERT.-OCTYLPHENOL|BRN 0513992|EINECS 205-426-2|NSC 5427|NSC 7248|Octylphenol pt|p-(1,1,3,3-Tetramethylbutyl)phenol|p-(1',1',3',3'-Tetramethylbutyl)fenol|p-(Tert-octyl)-Phenol|p-Octylphenol|p-t-Octylphenol|p-terc.Oktylfenol|p-tert-Octylphenol|PARA-OCTYLPHENOL|para-tert-Octylphenol|Phenol, 4-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(tert-octyl)-|Tert-Octylphenol, flaked|UNII-IOY9FVU3J3|124765-79-3|37769-53-2|85771-77-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022360
ARPathway2016 ARPathway2016_73 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9 DTXSID9022360 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9|4-(1,1,3,3-Tetramethylbutyl)phenol|4-(1,1,3,3-tetrametilbutil)fenol|4-(2,2,4-Trimethylpentan-2-yl)phenol|4-(2,4,4-Trimethylpentan-2-yl)phenol|4-06-00-03484|4-Octylphenol|4-t-Octylphenol|4-tert-Octylphenol|4-TERT.-OCTYLPHENOL|BRN 0513992|EINECS 205-426-2|NSC 5427|NSC 7248|Octylphenol pt|p-(1,1,3,3-Tetramethylbutyl)phenol|p-(1',1',3',3'-Tetramethylbutyl)fenol|p-(Tert-octyl)-Phenol|p-Octylphenol|p-t-Octylphenol|p-terc.Oktylfenol|p-tert-Octylphenol|PARA-OCTYLPHENOL|para-tert-Octylphenol|Phenol, 4-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(tert-octyl)-|Tert-Octylphenol, flaked|UNII-IOY9FVU3J3|124765-79-3|37769-53-2|85771-77-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022360
ARPathway2016 ARPathway2016_73 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9 DTXSID9022360 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9|4-(1,1,3,3-Tetramethylbutyl)phenol|4-(1,1,3,3-tetrametilbutil)fenol|4-(2,2,4-Trimethylpentan-2-yl)phenol|4-(2,4,4-Trimethylpentan-2-yl)phenol|4-06-00-03484|4-Octylphenol|4-t-Octylphenol|4-tert-Octylphenol|4-TERT.-OCTYLPHENOL|BRN 0513992|EINECS 205-426-2|NSC 5427|NSC 7248|Octylphenol pt|p-(1,1,3,3-Tetramethylbutyl)phenol|p-(1',1',3',3'-Tetramethylbutyl)fenol|p-(Tert-octyl)-Phenol|p-Octylphenol|p-t-Octylphenol|p-terc.Oktylfenol|p-tert-Octylphenol|PARA-OCTYLPHENOL|para-tert-Octylphenol|Phenol, 4-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(tert-octyl)-|Tert-Octylphenol, flaked|UNII-IOY9FVU3J3|124765-79-3|37769-53-2|85771-77-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022360
ERPathway2016 ERPathway2016_169 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9 DTXSID9022360 Agonist ER Pathway Model, Antagonist AC50 2.51609044544724 uM CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9|4-(1,1,3,3-Tetramethylbutyl)phenol|4-(1,1,3,3-tetrametilbutil)fenol|4-(2,2,4-Trimethylpentan-2-yl)phenol|4-(2,4,4-Trimethylpentan-2-yl)phenol|4-06-00-03484|4-Octylphenol|4-t-Octylphenol|4-tert-Octylphenol|4-TERT.-OCTYLPHENOL|BRN 0513992|EINECS 205-426-2|NSC 5427|NSC 7248|Octylphenol pt|p-(1,1,3,3-Tetramethylbutyl)phenol|p-(1',1',3',3'-Tetramethylbutyl)fenol|p-(Tert-octyl)-Phenol|p-Octylphenol|p-t-Octylphenol|p-terc.Oktylfenol|p-tert-Octylphenol|PARA-OCTYLPHENOL|para-tert-Octylphenol|Phenol, 4-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(tert-octyl)-|Tert-Octylphenol, flaked|UNII-IOY9FVU3J3|124765-79-3|37769-53-2|85771-77-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022360
ERPathway2016 ERPathway2016_169 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9 DTXSID9022360 Agonist ER Pathway Model, Antagonist ACC 0.762905964064862 uM CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9|4-(1,1,3,3-Tetramethylbutyl)phenol|4-(1,1,3,3-tetrametilbutil)fenol|4-(2,2,4-Trimethylpentan-2-yl)phenol|4-(2,4,4-Trimethylpentan-2-yl)phenol|4-06-00-03484|4-Octylphenol|4-t-Octylphenol|4-tert-Octylphenol|4-TERT.-OCTYLPHENOL|BRN 0513992|EINECS 205-426-2|NSC 5427|NSC 7248|Octylphenol pt|p-(1,1,3,3-Tetramethylbutyl)phenol|p-(1',1',3',3'-Tetramethylbutyl)fenol|p-(Tert-octyl)-Phenol|p-Octylphenol|p-t-Octylphenol|p-terc.Oktylfenol|p-tert-Octylphenol|PARA-OCTYLPHENOL|para-tert-Octylphenol|Phenol, 4-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(tert-octyl)-|Tert-Octylphenol, flaked|UNII-IOY9FVU3J3|124765-79-3|37769-53-2|85771-77-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022360
ERPathway2016 ERPathway2016_169 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9 DTXSID9022360 Agonist ER Pathway Model, Agonist Model Score 0.393 Unitless CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9|4-(1,1,3,3-Tetramethylbutyl)phenol|4-(1,1,3,3-tetrametilbutil)fenol|4-(2,2,4-Trimethylpentan-2-yl)phenol|4-(2,4,4-Trimethylpentan-2-yl)phenol|4-06-00-03484|4-Octylphenol|4-t-Octylphenol|4-tert-Octylphenol|4-TERT.-OCTYLPHENOL|BRN 0513992|EINECS 205-426-2|NSC 5427|NSC 7248|Octylphenol pt|p-(1,1,3,3-Tetramethylbutyl)phenol|p-(1',1',3',3'-Tetramethylbutyl)fenol|p-(Tert-octyl)-Phenol|p-Octylphenol|p-t-Octylphenol|p-terc.Oktylfenol|p-tert-Octylphenol|PARA-OCTYLPHENOL|para-tert-Octylphenol|Phenol, 4-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(tert-octyl)-|Tert-Octylphenol, flaked|UNII-IOY9FVU3J3|124765-79-3|37769-53-2|85771-77-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022360
ERPathway2016 ERPathway2016_169 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9 DTXSID9022360 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9|4-(1,1,3,3-Tetramethylbutyl)phenol|4-(1,1,3,3-tetrametilbutil)fenol|4-(2,2,4-Trimethylpentan-2-yl)phenol|4-(2,4,4-Trimethylpentan-2-yl)phenol|4-06-00-03484|4-Octylphenol|4-t-Octylphenol|4-tert-Octylphenol|4-TERT.-OCTYLPHENOL|BRN 0513992|EINECS 205-426-2|NSC 5427|NSC 7248|Octylphenol pt|p-(1,1,3,3-Tetramethylbutyl)phenol|p-(1',1',3',3'-Tetramethylbutyl)fenol|p-(Tert-octyl)-Phenol|p-Octylphenol|p-t-Octylphenol|p-terc.Oktylfenol|p-tert-Octylphenol|PARA-OCTYLPHENOL|para-tert-Octylphenol|Phenol, 4-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(tert-octyl)-|Tert-Octylphenol, flaked|UNII-IOY9FVU3J3|124765-79-3|37769-53-2|85771-77-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022360
ERPathway2016 ERPathway2016_169 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9 DTXSID9022360 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9|4-(1,1,3,3-Tetramethylbutyl)phenol|4-(1,1,3,3-tetrametilbutil)fenol|4-(2,2,4-Trimethylpentan-2-yl)phenol|4-(2,4,4-Trimethylpentan-2-yl)phenol|4-06-00-03484|4-Octylphenol|4-t-Octylphenol|4-tert-Octylphenol|4-TERT.-OCTYLPHENOL|BRN 0513992|EINECS 205-426-2|NSC 5427|NSC 7248|Octylphenol pt|p-(1,1,3,3-Tetramethylbutyl)phenol|p-(1',1',3',3'-Tetramethylbutyl)fenol|p-(Tert-octyl)-Phenol|p-Octylphenol|p-t-Octylphenol|p-terc.Oktylfenol|p-tert-Octylphenol|PARA-OCTYLPHENOL|para-tert-Octylphenol|Phenol, 4-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(tert-octyl)-|Tert-Octylphenol, flaked|UNII-IOY9FVU3J3|124765-79-3|37769-53-2|85771-77-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022360
ERPathway2016 ERPathway2016_169 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9 DTXSID9022360 Agonist ER Pathway Model, Antagonist Call Active Unitless CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1 4-(1,1,3,3-Tetramethylbutyl)phenol 140-66-9|4-(1,1,3,3-Tetramethylbutyl)phenol|4-(1,1,3,3-tetrametilbutil)fenol|4-(2,2,4-Trimethylpentan-2-yl)phenol|4-(2,4,4-Trimethylpentan-2-yl)phenol|4-06-00-03484|4-Octylphenol|4-t-Octylphenol|4-tert-Octylphenol|4-TERT.-OCTYLPHENOL|BRN 0513992|EINECS 205-426-2|NSC 5427|NSC 7248|Octylphenol pt|p-(1,1,3,3-Tetramethylbutyl)phenol|p-(1',1',3',3'-Tetramethylbutyl)fenol|p-(Tert-octyl)-Phenol|p-Octylphenol|p-t-Octylphenol|p-terc.Oktylfenol|p-tert-Octylphenol|PARA-OCTYLPHENOL|para-tert-Octylphenol|Phenol, 4-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(1,1,3,3-tetramethylbutyl)-|Phenol, p-(tert-octyl)-|Tert-Octylphenol, flaked|UNII-IOY9FVU3J3|124765-79-3|37769-53-2|85771-77-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022360
ARPathway2016 ARPathway2016_1802 4-(1,1-Dimethylethyl)phenol 98-54-4 DTXSID1020221 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC=C(O)C=C1 4-(1,1-Dimethylethyl)phenol 98-54-4|4-(1,1-Dimethylethyl)phenol|1-Hydroxy-4-tert-butylbenzene|4-t-Butylphenol|4-terc-butilfenol|4-tert-Butylphenol|Butylphen|Caswell No. 130E|EINECS 202-679-0|EPA Pesticide Chemical Code 064113|NSC 3697|p-t-Butyl phenol|P-T-BUTYLPHENOL|p-terc.Butylfenol|p-tert-Butylphenol|para-tert-Butylphenol|para-tertiary-butylphenol|Phenol, 4-(1,1-dimethylethyl)-|PHENOL, 4-TERT-BUTYL-|Phenol, p-tert-butyl-|PTBP|Ucar butylphenol 4-T|Ucar butylphenol 4-T flake|UN 2430 (DOT)|UNII-O81VMW36CV|1334243-56-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020221
ARPathway2016 ARPathway2016_1802 4-(1,1-Dimethylethyl)phenol 98-54-4 DTXSID1020221 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC=C(O)C=C1 4-(1,1-Dimethylethyl)phenol 98-54-4|4-(1,1-Dimethylethyl)phenol|1-Hydroxy-4-tert-butylbenzene|4-t-Butylphenol|4-terc-butilfenol|4-tert-Butylphenol|Butylphen|Caswell No. 130E|EINECS 202-679-0|EPA Pesticide Chemical Code 064113|NSC 3697|p-t-Butyl phenol|P-T-BUTYLPHENOL|p-terc.Butylfenol|p-tert-Butylphenol|para-tert-Butylphenol|para-tertiary-butylphenol|Phenol, 4-(1,1-dimethylethyl)-|PHENOL, 4-TERT-BUTYL-|Phenol, p-tert-butyl-|PTBP|Ucar butylphenol 4-T|Ucar butylphenol 4-T flake|UN 2430 (DOT)|UNII-O81VMW36CV|1334243-56-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020221
ARPathway2016 ARPathway2016_1802 4-(1,1-Dimethylethyl)phenol 98-54-4 DTXSID1020221 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC=C(O)C=C1 4-(1,1-Dimethylethyl)phenol 98-54-4|4-(1,1-Dimethylethyl)phenol|1-Hydroxy-4-tert-butylbenzene|4-t-Butylphenol|4-terc-butilfenol|4-tert-Butylphenol|Butylphen|Caswell No. 130E|EINECS 202-679-0|EPA Pesticide Chemical Code 064113|NSC 3697|p-t-Butyl phenol|P-T-BUTYLPHENOL|p-terc.Butylfenol|p-tert-Butylphenol|para-tert-Butylphenol|para-tertiary-butylphenol|Phenol, 4-(1,1-dimethylethyl)-|PHENOL, 4-TERT-BUTYL-|Phenol, p-tert-butyl-|PTBP|Ucar butylphenol 4-T|Ucar butylphenol 4-T flake|UN 2430 (DOT)|UNII-O81VMW36CV|1334243-56-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020221
ARPathway2016 ARPathway2016_1802 4-(1,1-Dimethylethyl)phenol 98-54-4 DTXSID1020221 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC=C(O)C=C1 4-(1,1-Dimethylethyl)phenol 98-54-4|4-(1,1-Dimethylethyl)phenol|1-Hydroxy-4-tert-butylbenzene|4-t-Butylphenol|4-terc-butilfenol|4-tert-Butylphenol|Butylphen|Caswell No. 130E|EINECS 202-679-0|EPA Pesticide Chemical Code 064113|NSC 3697|p-t-Butyl phenol|P-T-BUTYLPHENOL|p-terc.Butylfenol|p-tert-Butylphenol|para-tert-Butylphenol|para-tertiary-butylphenol|Phenol, 4-(1,1-dimethylethyl)-|PHENOL, 4-TERT-BUTYL-|Phenol, p-tert-butyl-|PTBP|Ucar butylphenol 4-T|Ucar butylphenol 4-T flake|UN 2430 (DOT)|UNII-O81VMW36CV|1334243-56-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020221
ERPathway2016 ERPathway2016_210 4-(1,1-Dimethylethyl)phenol 98-54-4 DTXSID1020221 Agonist ER Pathway Model, Antagonist AC50 21.4774617912494 uM CC(C)(C)C1=CC=C(O)C=C1 4-(1,1-Dimethylethyl)phenol 98-54-4|4-(1,1-Dimethylethyl)phenol|1-Hydroxy-4-tert-butylbenzene|4-t-Butylphenol|4-terc-butilfenol|4-tert-Butylphenol|Butylphen|Caswell No. 130E|EINECS 202-679-0|EPA Pesticide Chemical Code 064113|NSC 3697|p-t-Butyl phenol|P-T-BUTYLPHENOL|p-terc.Butylfenol|p-tert-Butylphenol|para-tert-Butylphenol|para-tertiary-butylphenol|Phenol, 4-(1,1-dimethylethyl)-|PHENOL, 4-TERT-BUTYL-|Phenol, p-tert-butyl-|PTBP|Ucar butylphenol 4-T|Ucar butylphenol 4-T flake|UN 2430 (DOT)|UNII-O81VMW36CV|1334243-56-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020221
ERPathway2016 ERPathway2016_210 4-(1,1-Dimethylethyl)phenol 98-54-4 DTXSID1020221 Agonist ER Pathway Model, Antagonist ACC 9.66351360080844 uM CC(C)(C)C1=CC=C(O)C=C1 4-(1,1-Dimethylethyl)phenol 98-54-4|4-(1,1-Dimethylethyl)phenol|1-Hydroxy-4-tert-butylbenzene|4-t-Butylphenol|4-terc-butilfenol|4-tert-Butylphenol|Butylphen|Caswell No. 130E|EINECS 202-679-0|EPA Pesticide Chemical Code 064113|NSC 3697|p-t-Butyl phenol|P-T-BUTYLPHENOL|p-terc.Butylfenol|p-tert-Butylphenol|para-tert-Butylphenol|para-tertiary-butylphenol|Phenol, 4-(1,1-dimethylethyl)-|PHENOL, 4-TERT-BUTYL-|Phenol, p-tert-butyl-|PTBP|Ucar butylphenol 4-T|Ucar butylphenol 4-T flake|UN 2430 (DOT)|UNII-O81VMW36CV|1334243-56-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020221
ERPathway2016 ERPathway2016_210 4-(1,1-Dimethylethyl)phenol 98-54-4 DTXSID1020221 Agonist ER Pathway Model, Agonist Model Score 0.161 Unitless CC(C)(C)C1=CC=C(O)C=C1 4-(1,1-Dimethylethyl)phenol 98-54-4|4-(1,1-Dimethylethyl)phenol|1-Hydroxy-4-tert-butylbenzene|4-t-Butylphenol|4-terc-butilfenol|4-tert-Butylphenol|Butylphen|Caswell No. 130E|EINECS 202-679-0|EPA Pesticide Chemical Code 064113|NSC 3697|p-t-Butyl phenol|P-T-BUTYLPHENOL|p-terc.Butylfenol|p-tert-Butylphenol|para-tert-Butylphenol|para-tertiary-butylphenol|Phenol, 4-(1,1-dimethylethyl)-|PHENOL, 4-TERT-BUTYL-|Phenol, p-tert-butyl-|PTBP|Ucar butylphenol 4-T|Ucar butylphenol 4-T flake|UN 2430 (DOT)|UNII-O81VMW36CV|1334243-56-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020221
ERPathway2016 ERPathway2016_210 4-(1,1-Dimethylethyl)phenol 98-54-4 DTXSID1020221 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC=C(O)C=C1 4-(1,1-Dimethylethyl)phenol 98-54-4|4-(1,1-Dimethylethyl)phenol|1-Hydroxy-4-tert-butylbenzene|4-t-Butylphenol|4-terc-butilfenol|4-tert-Butylphenol|Butylphen|Caswell No. 130E|EINECS 202-679-0|EPA Pesticide Chemical Code 064113|NSC 3697|p-t-Butyl phenol|P-T-BUTYLPHENOL|p-terc.Butylfenol|p-tert-Butylphenol|para-tert-Butylphenol|para-tertiary-butylphenol|Phenol, 4-(1,1-dimethylethyl)-|PHENOL, 4-TERT-BUTYL-|Phenol, p-tert-butyl-|PTBP|Ucar butylphenol 4-T|Ucar butylphenol 4-T flake|UN 2430 (DOT)|UNII-O81VMW36CV|1334243-56-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020221
ERPathway2016 ERPathway2016_210 4-(1,1-Dimethylethyl)phenol 98-54-4 DTXSID1020221 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC=C(O)C=C1 4-(1,1-Dimethylethyl)phenol 98-54-4|4-(1,1-Dimethylethyl)phenol|1-Hydroxy-4-tert-butylbenzene|4-t-Butylphenol|4-terc-butilfenol|4-tert-Butylphenol|Butylphen|Caswell No. 130E|EINECS 202-679-0|EPA Pesticide Chemical Code 064113|NSC 3697|p-t-Butyl phenol|P-T-BUTYLPHENOL|p-terc.Butylfenol|p-tert-Butylphenol|para-tert-Butylphenol|para-tertiary-butylphenol|Phenol, 4-(1,1-dimethylethyl)-|PHENOL, 4-TERT-BUTYL-|Phenol, p-tert-butyl-|PTBP|Ucar butylphenol 4-T|Ucar butylphenol 4-T flake|UN 2430 (DOT)|UNII-O81VMW36CV|1334243-56-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020221
ERPathway2016 ERPathway2016_210 4-(1,1-Dimethylethyl)phenol 98-54-4 DTXSID1020221 Agonist ER Pathway Model, Antagonist Call Active Unitless CC(C)(C)C1=CC=C(O)C=C1 4-(1,1-Dimethylethyl)phenol 98-54-4|4-(1,1-Dimethylethyl)phenol|1-Hydroxy-4-tert-butylbenzene|4-t-Butylphenol|4-terc-butilfenol|4-tert-Butylphenol|Butylphen|Caswell No. 130E|EINECS 202-679-0|EPA Pesticide Chemical Code 064113|NSC 3697|p-t-Butyl phenol|P-T-BUTYLPHENOL|p-terc.Butylfenol|p-tert-Butylphenol|para-tert-Butylphenol|para-tertiary-butylphenol|Phenol, 4-(1,1-dimethylethyl)-|PHENOL, 4-TERT-BUTYL-|Phenol, p-tert-butyl-|PTBP|Ucar butylphenol 4-T|Ucar butylphenol 4-T flake|UN 2430 (DOT)|UNII-O81VMW36CV|1334243-56-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020221
ARPathway2016 ARPathway2016_873 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one 14901-07-6 DTXSID9025451 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C=CC1=C(C)CCCC1(C)C 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one 14901-07-6|4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one|238-969-9|3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-|4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one|beta-Cyclocitrylideneacetone|EC No.: 238-969-9|EINECS 238-969-9|NSC 402758|NSC 46137 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025451 https://doi.org/10.22427/NTP-DATA-DTXSID9025451
ARPathway2016 ARPathway2016_873 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one 14901-07-6 DTXSID9025451 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)C=CC1=C(C)CCCC1(C)C 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one 14901-07-6|4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one|238-969-9|3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-|4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one|beta-Cyclocitrylideneacetone|EC No.: 238-969-9|EINECS 238-969-9|NSC 402758|NSC 46137 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025451 https://doi.org/10.22427/NTP-DATA-DTXSID9025451
ARPathway2016 ARPathway2016_873 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one 14901-07-6 DTXSID9025451 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)C=CC1=C(C)CCCC1(C)C 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one 14901-07-6|4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one|238-969-9|3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-|4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one|beta-Cyclocitrylideneacetone|EC No.: 238-969-9|EINECS 238-969-9|NSC 402758|NSC 46137 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025451 https://doi.org/10.22427/NTP-DATA-DTXSID9025451
ARPathway2016 ARPathway2016_873 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one 14901-07-6 DTXSID9025451 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)C=CC1=C(C)CCCC1(C)C 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one 14901-07-6|4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one|238-969-9|3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-|4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one|beta-Cyclocitrylideneacetone|EC No.: 238-969-9|EINECS 238-969-9|NSC 402758|NSC 46137 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025451 https://doi.org/10.22427/NTP-DATA-DTXSID9025451
ERPathway2016 ERPathway2016_945 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one 14901-07-6 DTXSID9025451 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)C=CC1=C(C)CCCC1(C)C 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one 14901-07-6|4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one|238-969-9|3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-|4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one|beta-Cyclocitrylideneacetone|EC No.: 238-969-9|EINECS 238-969-9|NSC 402758|NSC 46137 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025451 https://doi.org/10.22427/NTP-DATA-DTXSID9025451
ERPathway2016 ERPathway2016_945 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one 14901-07-6 DTXSID9025451 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C=CC1=C(C)CCCC1(C)C 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one 14901-07-6|4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one|238-969-9|3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-|4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one|beta-Cyclocitrylideneacetone|EC No.: 238-969-9|EINECS 238-969-9|NSC 402758|NSC 46137 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025451 https://doi.org/10.22427/NTP-DATA-DTXSID9025451
ERPathway2016 ERPathway2016_945 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one 14901-07-6 DTXSID9025451 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)C=CC1=C(C)CCCC1(C)C 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one 14901-07-6|4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one|238-969-9|3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-|4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one|beta-Cyclocitrylideneacetone|EC No.: 238-969-9|EINECS 238-969-9|NSC 402758|NSC 46137 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025451 https://doi.org/10.22427/NTP-DATA-DTXSID9025451
ERPathway2016 ERPathway2016_945 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one 14901-07-6 DTXSID9025451 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)C=CC1=C(C)CCCC1(C)C 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one 14901-07-6|4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one|238-969-9|3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-|4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one|beta-Cyclocitrylideneacetone|EC No.: 238-969-9|EINECS 238-969-9|NSC 402758|NSC 46137 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025451 https://doi.org/10.22427/NTP-DATA-DTXSID9025451
ARPathway2016 ARPathway2016_1293 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9 DTXSID9040716 0.0 A2 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(C)(C)C1CCC(O)CC1 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9|4-(2-Methylbutan-2-yl)cyclohexanol|4-tert-amylcyclohexanol|Cyclohexanol, 4-tert-pentyl-|EINECS 226-311-3|NSC 1246|NSC 21165|p-tert-Amylcyclohexanol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040716
ARPathway2016 ARPathway2016_1293 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9 DTXSID9040716 0.0 A2 AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)(C)C1CCC(O)CC1 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9|4-(2-Methylbutan-2-yl)cyclohexanol|4-tert-amylcyclohexanol|Cyclohexanol, 4-tert-pentyl-|EINECS 226-311-3|NSC 1246|NSC 21165|p-tert-Amylcyclohexanol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040716
ARPathway2016 ARPathway2016_1293 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9 DTXSID9040716 0.0 A2 AR Pathway Model, Agonist Call Inactive Unitless CCC(C)(C)C1CCC(O)CC1 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9|4-(2-Methylbutan-2-yl)cyclohexanol|4-tert-amylcyclohexanol|Cyclohexanol, 4-tert-pentyl-|EINECS 226-311-3|NSC 1246|NSC 21165|p-tert-Amylcyclohexanol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040716
ARPathway2016 ARPathway2016_1293 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9 DTXSID9040716 0.0 A2 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)(C)C1CCC(O)CC1 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9|4-(2-Methylbutan-2-yl)cyclohexanol|4-tert-amylcyclohexanol|Cyclohexanol, 4-tert-pentyl-|EINECS 226-311-3|NSC 1246|NSC 21165|p-tert-Amylcyclohexanol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040716
ERPathway2016 ERPathway2016_193 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9 DTXSID9040716 Agonist ER Pathway Model, Antagonist AC50 16.2173048520035 uM CCC(C)(C)C1CCC(O)CC1 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9|4-(2-Methylbutan-2-yl)cyclohexanol|4-tert-amylcyclohexanol|Cyclohexanol, 4-tert-pentyl-|EINECS 226-311-3|NSC 1246|NSC 21165|p-tert-Amylcyclohexanol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040716
ERPathway2016 ERPathway2016_193 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9 DTXSID9040716 Agonist ER Pathway Model, Antagonist ACC 6.9945615880423 uM CCC(C)(C)C1CCC(O)CC1 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9|4-(2-Methylbutan-2-yl)cyclohexanol|4-tert-amylcyclohexanol|Cyclohexanol, 4-tert-pentyl-|EINECS 226-311-3|NSC 1246|NSC 21165|p-tert-Amylcyclohexanol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040716
ERPathway2016 ERPathway2016_193 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9 DTXSID9040716 Agonist ER Pathway Model, Agonist Model Score 0.248 Unitless CCC(C)(C)C1CCC(O)CC1 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9|4-(2-Methylbutan-2-yl)cyclohexanol|4-tert-amylcyclohexanol|Cyclohexanol, 4-tert-pentyl-|EINECS 226-311-3|NSC 1246|NSC 21165|p-tert-Amylcyclohexanol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040716
ERPathway2016 ERPathway2016_193 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9 DTXSID9040716 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)(C)C1CCC(O)CC1 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9|4-(2-Methylbutan-2-yl)cyclohexanol|4-tert-amylcyclohexanol|Cyclohexanol, 4-tert-pentyl-|EINECS 226-311-3|NSC 1246|NSC 21165|p-tert-Amylcyclohexanol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040716
ERPathway2016 ERPathway2016_193 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9 DTXSID9040716 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCC(C)(C)C1CCC(O)CC1 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9|4-(2-Methylbutan-2-yl)cyclohexanol|4-tert-amylcyclohexanol|Cyclohexanol, 4-tert-pentyl-|EINECS 226-311-3|NSC 1246|NSC 21165|p-tert-Amylcyclohexanol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040716
ERPathway2016 ERPathway2016_193 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9 DTXSID9040716 Agonist ER Pathway Model, Antagonist Call Active Unitless CCC(C)(C)C1CCC(O)CC1 4-(2-Methylbutan-2-yl)cyclohexanol 5349-51-9|4-(2-Methylbutan-2-yl)cyclohexanol|4-tert-amylcyclohexanol|Cyclohexanol, 4-tert-pentyl-|EINECS 226-311-3|NSC 1246|NSC 21165|p-tert-Amylcyclohexanol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040716
ARPathway2016 ARPathway2016_1605 4-(2-Methylbutan-2-yl)phenol 80-46-6 DTXSID8021771 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(C)(C)C1=CC=C(O)C=C1 4-(2-Methylbutan-2-yl)phenol 80-46-6|4-(2-Methylbutan-2-yl)phenol|1-Hydroxy-4-(1,1-dimethylpropyl)benzene|2-Methyl-2-p-hydroxyphenylbutane|4-(1,1-Dimethylpropyl)-1-phenol|4-06-00-03383|4-t-Amylphenol|4-tert-Amylphenol|4-tert-Pentylphenol|Amilfenol|Amilphenol|Amyl phenol 4T|BRN 1908224|Caswell No. 050|EINECS 201-280-9|EPA Pesticide Chemical Code 064101|NSC 403672|p-(alpha,alpha-Dimethylpropyl)phenol|p-t-Pentylphenol|p-tert-Amylphenol|p-tert-Pentylphenol|para-tert-Amylphenol|Pentaphen|Phenol, 4-(1,1-dimethylpropyl)-|Phenol, p-tert-pentyl-|tert-Amylphenol|Ucar amyl phenol 4T|UNII-6NP9LYK846 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021771 https://doi.org/10.22427/NTP-DATA-DTXSID8021771
ARPathway2016 ARPathway2016_1605 4-(2-Methylbutan-2-yl)phenol 80-46-6 DTXSID8021771 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)(C)C1=CC=C(O)C=C1 4-(2-Methylbutan-2-yl)phenol 80-46-6|4-(2-Methylbutan-2-yl)phenol|1-Hydroxy-4-(1,1-dimethylpropyl)benzene|2-Methyl-2-p-hydroxyphenylbutane|4-(1,1-Dimethylpropyl)-1-phenol|4-06-00-03383|4-t-Amylphenol|4-tert-Amylphenol|4-tert-Pentylphenol|Amilfenol|Amilphenol|Amyl phenol 4T|BRN 1908224|Caswell No. 050|EINECS 201-280-9|EPA Pesticide Chemical Code 064101|NSC 403672|p-(alpha,alpha-Dimethylpropyl)phenol|p-t-Pentylphenol|p-tert-Amylphenol|p-tert-Pentylphenol|para-tert-Amylphenol|Pentaphen|Phenol, 4-(1,1-dimethylpropyl)-|Phenol, p-tert-pentyl-|tert-Amylphenol|Ucar amyl phenol 4T|UNII-6NP9LYK846 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021771 https://doi.org/10.22427/NTP-DATA-DTXSID8021771
ARPathway2016 ARPathway2016_1605 4-(2-Methylbutan-2-yl)phenol 80-46-6 DTXSID8021771 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CCC(C)(C)C1=CC=C(O)C=C1 4-(2-Methylbutan-2-yl)phenol 80-46-6|4-(2-Methylbutan-2-yl)phenol|1-Hydroxy-4-(1,1-dimethylpropyl)benzene|2-Methyl-2-p-hydroxyphenylbutane|4-(1,1-Dimethylpropyl)-1-phenol|4-06-00-03383|4-t-Amylphenol|4-tert-Amylphenol|4-tert-Pentylphenol|Amilfenol|Amilphenol|Amyl phenol 4T|BRN 1908224|Caswell No. 050|EINECS 201-280-9|EPA Pesticide Chemical Code 064101|NSC 403672|p-(alpha,alpha-Dimethylpropyl)phenol|p-t-Pentylphenol|p-tert-Amylphenol|p-tert-Pentylphenol|para-tert-Amylphenol|Pentaphen|Phenol, 4-(1,1-dimethylpropyl)-|Phenol, p-tert-pentyl-|tert-Amylphenol|Ucar amyl phenol 4T|UNII-6NP9LYK846 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021771 https://doi.org/10.22427/NTP-DATA-DTXSID8021771
ARPathway2016 ARPathway2016_1605 4-(2-Methylbutan-2-yl)phenol 80-46-6 DTXSID8021771 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)(C)C1=CC=C(O)C=C1 4-(2-Methylbutan-2-yl)phenol 80-46-6|4-(2-Methylbutan-2-yl)phenol|1-Hydroxy-4-(1,1-dimethylpropyl)benzene|2-Methyl-2-p-hydroxyphenylbutane|4-(1,1-Dimethylpropyl)-1-phenol|4-06-00-03383|4-t-Amylphenol|4-tert-Amylphenol|4-tert-Pentylphenol|Amilfenol|Amilphenol|Amyl phenol 4T|BRN 1908224|Caswell No. 050|EINECS 201-280-9|EPA Pesticide Chemical Code 064101|NSC 403672|p-(alpha,alpha-Dimethylpropyl)phenol|p-t-Pentylphenol|p-tert-Amylphenol|p-tert-Pentylphenol|para-tert-Amylphenol|Pentaphen|Phenol, 4-(1,1-dimethylpropyl)-|Phenol, p-tert-pentyl-|tert-Amylphenol|Ucar amyl phenol 4T|UNII-6NP9LYK846 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021771 https://doi.org/10.22427/NTP-DATA-DTXSID8021771
ERPathway2016 ERPathway2016_181 4-(2-Methylbutan-2-yl)phenol 80-46-6 DTXSID8021771 Agonist ER Pathway Model, Antagonist AC50 6.16000403742043 uM CCC(C)(C)C1=CC=C(O)C=C1 4-(2-Methylbutan-2-yl)phenol 80-46-6|4-(2-Methylbutan-2-yl)phenol|1-Hydroxy-4-(1,1-dimethylpropyl)benzene|2-Methyl-2-p-hydroxyphenylbutane|4-(1,1-Dimethylpropyl)-1-phenol|4-06-00-03383|4-t-Amylphenol|4-tert-Amylphenol|4-tert-Pentylphenol|Amilfenol|Amilphenol|Amyl phenol 4T|BRN 1908224|Caswell No. 050|EINECS 201-280-9|EPA Pesticide Chemical Code 064101|NSC 403672|p-(alpha,alpha-Dimethylpropyl)phenol|p-t-Pentylphenol|p-tert-Amylphenol|p-tert-Pentylphenol|para-tert-Amylphenol|Pentaphen|Phenol, 4-(1,1-dimethylpropyl)-|Phenol, p-tert-pentyl-|tert-Amylphenol|Ucar amyl phenol 4T|UNII-6NP9LYK846 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021771 https://doi.org/10.22427/NTP-DATA-DTXSID8021771
ERPathway2016 ERPathway2016_181 4-(2-Methylbutan-2-yl)phenol 80-46-6 DTXSID8021771 Agonist ER Pathway Model, Antagonist ACC 1.81557186130899 uM CCC(C)(C)C1=CC=C(O)C=C1 4-(2-Methylbutan-2-yl)phenol 80-46-6|4-(2-Methylbutan-2-yl)phenol|1-Hydroxy-4-(1,1-dimethylpropyl)benzene|2-Methyl-2-p-hydroxyphenylbutane|4-(1,1-Dimethylpropyl)-1-phenol|4-06-00-03383|4-t-Amylphenol|4-tert-Amylphenol|4-tert-Pentylphenol|Amilfenol|Amilphenol|Amyl phenol 4T|BRN 1908224|Caswell No. 050|EINECS 201-280-9|EPA Pesticide Chemical Code 064101|NSC 403672|p-(alpha,alpha-Dimethylpropyl)phenol|p-t-Pentylphenol|p-tert-Amylphenol|p-tert-Pentylphenol|para-tert-Amylphenol|Pentaphen|Phenol, 4-(1,1-dimethylpropyl)-|Phenol, p-tert-pentyl-|tert-Amylphenol|Ucar amyl phenol 4T|UNII-6NP9LYK846 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021771 https://doi.org/10.22427/NTP-DATA-DTXSID8021771
ERPathway2016 ERPathway2016_181 4-(2-Methylbutan-2-yl)phenol 80-46-6 DTXSID8021771 Agonist ER Pathway Model, Agonist Model Score 0.282 Unitless CCC(C)(C)C1=CC=C(O)C=C1 4-(2-Methylbutan-2-yl)phenol 80-46-6|4-(2-Methylbutan-2-yl)phenol|1-Hydroxy-4-(1,1-dimethylpropyl)benzene|2-Methyl-2-p-hydroxyphenylbutane|4-(1,1-Dimethylpropyl)-1-phenol|4-06-00-03383|4-t-Amylphenol|4-tert-Amylphenol|4-tert-Pentylphenol|Amilfenol|Amilphenol|Amyl phenol 4T|BRN 1908224|Caswell No. 050|EINECS 201-280-9|EPA Pesticide Chemical Code 064101|NSC 403672|p-(alpha,alpha-Dimethylpropyl)phenol|p-t-Pentylphenol|p-tert-Amylphenol|p-tert-Pentylphenol|para-tert-Amylphenol|Pentaphen|Phenol, 4-(1,1-dimethylpropyl)-|Phenol, p-tert-pentyl-|tert-Amylphenol|Ucar amyl phenol 4T|UNII-6NP9LYK846 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021771 https://doi.org/10.22427/NTP-DATA-DTXSID8021771
ERPathway2016 ERPathway2016_181 4-(2-Methylbutan-2-yl)phenol 80-46-6 DTXSID8021771 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)(C)C1=CC=C(O)C=C1 4-(2-Methylbutan-2-yl)phenol 80-46-6|4-(2-Methylbutan-2-yl)phenol|1-Hydroxy-4-(1,1-dimethylpropyl)benzene|2-Methyl-2-p-hydroxyphenylbutane|4-(1,1-Dimethylpropyl)-1-phenol|4-06-00-03383|4-t-Amylphenol|4-tert-Amylphenol|4-tert-Pentylphenol|Amilfenol|Amilphenol|Amyl phenol 4T|BRN 1908224|Caswell No. 050|EINECS 201-280-9|EPA Pesticide Chemical Code 064101|NSC 403672|p-(alpha,alpha-Dimethylpropyl)phenol|p-t-Pentylphenol|p-tert-Amylphenol|p-tert-Pentylphenol|para-tert-Amylphenol|Pentaphen|Phenol, 4-(1,1-dimethylpropyl)-|Phenol, p-tert-pentyl-|tert-Amylphenol|Ucar amyl phenol 4T|UNII-6NP9LYK846 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021771 https://doi.org/10.22427/NTP-DATA-DTXSID8021771
ERPathway2016 ERPathway2016_181 4-(2-Methylbutan-2-yl)phenol 80-46-6 DTXSID8021771 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCC(C)(C)C1=CC=C(O)C=C1 4-(2-Methylbutan-2-yl)phenol 80-46-6|4-(2-Methylbutan-2-yl)phenol|1-Hydroxy-4-(1,1-dimethylpropyl)benzene|2-Methyl-2-p-hydroxyphenylbutane|4-(1,1-Dimethylpropyl)-1-phenol|4-06-00-03383|4-t-Amylphenol|4-tert-Amylphenol|4-tert-Pentylphenol|Amilfenol|Amilphenol|Amyl phenol 4T|BRN 1908224|Caswell No. 050|EINECS 201-280-9|EPA Pesticide Chemical Code 064101|NSC 403672|p-(alpha,alpha-Dimethylpropyl)phenol|p-t-Pentylphenol|p-tert-Amylphenol|p-tert-Pentylphenol|para-tert-Amylphenol|Pentaphen|Phenol, 4-(1,1-dimethylpropyl)-|Phenol, p-tert-pentyl-|tert-Amylphenol|Ucar amyl phenol 4T|UNII-6NP9LYK846 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021771 https://doi.org/10.22427/NTP-DATA-DTXSID8021771
ERPathway2016 ERPathway2016_181 4-(2-Methylbutan-2-yl)phenol 80-46-6 DTXSID8021771 Agonist ER Pathway Model, Antagonist Call Active Unitless CCC(C)(C)C1=CC=C(O)C=C1 4-(2-Methylbutan-2-yl)phenol 80-46-6|4-(2-Methylbutan-2-yl)phenol|1-Hydroxy-4-(1,1-dimethylpropyl)benzene|2-Methyl-2-p-hydroxyphenylbutane|4-(1,1-Dimethylpropyl)-1-phenol|4-06-00-03383|4-t-Amylphenol|4-tert-Amylphenol|4-tert-Pentylphenol|Amilfenol|Amilphenol|Amyl phenol 4T|BRN 1908224|Caswell No. 050|EINECS 201-280-9|EPA Pesticide Chemical Code 064101|NSC 403672|p-(alpha,alpha-Dimethylpropyl)phenol|p-t-Pentylphenol|p-tert-Amylphenol|p-tert-Pentylphenol|para-tert-Amylphenol|Pentaphen|Phenol, 4-(1,1-dimethylpropyl)-|Phenol, p-tert-pentyl-|tert-Amylphenol|Ucar amyl phenol 4T|UNII-6NP9LYK846 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021771 https://doi.org/10.22427/NTP-DATA-DTXSID8021771
ARPathway2016 ARPathway2016_403 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline 10081-67-1 DTXSID0027721 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C1=CC=CC=C1)C1=CC=C(NC2=CC=C(C=C2)C(C)(C)C2=CC=CC=C2)C=C1 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline 10081-67-1|4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline|Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-|EINECS 233-215-5|108192-80-9|1152781-85-5|125053-82-9|934200-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027721
ARPathway2016 ARPathway2016_403 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline 10081-67-1 DTXSID0027721 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C1=CC=CC=C1)C1=CC=C(NC2=CC=C(C=C2)C(C)(C)C2=CC=CC=C2)C=C1 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline 10081-67-1|4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline|Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-|EINECS 233-215-5|108192-80-9|1152781-85-5|125053-82-9|934200-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027721
ARPathway2016 ARPathway2016_403 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline 10081-67-1 DTXSID0027721 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C1=CC=CC=C1)C1=CC=C(NC2=CC=C(C=C2)C(C)(C)C2=CC=CC=C2)C=C1 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline 10081-67-1|4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline|Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-|EINECS 233-215-5|108192-80-9|1152781-85-5|125053-82-9|934200-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027721
ARPathway2016 ARPathway2016_403 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline 10081-67-1 DTXSID0027721 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C1=CC=CC=C1)C1=CC=C(NC2=CC=C(C=C2)C(C)(C)C2=CC=CC=C2)C=C1 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline 10081-67-1|4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline|Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-|EINECS 233-215-5|108192-80-9|1152781-85-5|125053-82-9|934200-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027721
ERPathway2016 ERPathway2016_646 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline 10081-67-1 DTXSID0027721 A17 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C1=CC=CC=C1)C1=CC=C(NC2=CC=C(C=C2)C(C)(C)C2=CC=CC=C2)C=C1 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline 10081-67-1|4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline|Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-|EINECS 233-215-5|108192-80-9|1152781-85-5|125053-82-9|934200-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027721
ERPathway2016 ERPathway2016_646 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline 10081-67-1 DTXSID0027721 A17 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C1=CC=CC=C1)C1=CC=C(NC2=CC=C(C=C2)C(C)(C)C2=CC=CC=C2)C=C1 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline 10081-67-1|4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline|Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-|EINECS 233-215-5|108192-80-9|1152781-85-5|125053-82-9|934200-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027721
ERPathway2016 ERPathway2016_646 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline 10081-67-1 DTXSID0027721 A17 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C1=CC=CC=C1)C1=CC=C(NC2=CC=C(C=C2)C(C)(C)C2=CC=CC=C2)C=C1 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline 10081-67-1|4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline|Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-|EINECS 233-215-5|108192-80-9|1152781-85-5|125053-82-9|934200-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027721
ERPathway2016 ERPathway2016_646 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline 10081-67-1 DTXSID0027721 A17 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C1=CC=CC=C1)C1=CC=C(NC2=CC=C(C=C2)C(C)(C)C2=CC=CC=C2)C=C1 4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline 10081-67-1|4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline|Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-|EINECS 233-215-5|108192-80-9|1152781-85-5|125053-82-9|934200-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027721
ARPathway2016 ARPathway2016_21 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6 DTXSID8032548 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 34.6571363702548 uM ClC1=CC=C(CCC(CN2C=NC=N2)(C#N)C2=CC=CC=C2)C=C1 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|alpha-(2-(4-Chlorophenyl)ethyl)-alpha-phenyl-1H-1,2,4-triazole-1-propanenitrile|Fenbuconazole|RH-7592|1135441-06-3|119611-00-6|205862-65-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032548
ARPathway2016 ARPathway2016_21 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6 DTXSID8032548 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 29.9797424256512 uM ClC1=CC=C(CCC(CN2C=NC=N2)(C#N)C2=CC=CC=C2)C=C1 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|alpha-(2-(4-Chlorophenyl)ethyl)-alpha-phenyl-1H-1,2,4-triazole-1-propanenitrile|Fenbuconazole|RH-7592|1135441-06-3|119611-00-6|205862-65-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032548
ARPathway2016 ARPathway2016_21 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6 DTXSID8032548 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.129 Unitless ClC1=CC=C(CCC(CN2C=NC=N2)(C#N)C2=CC=CC=C2)C=C1 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|alpha-(2-(4-Chlorophenyl)ethyl)-alpha-phenyl-1H-1,2,4-triazole-1-propanenitrile|Fenbuconazole|RH-7592|1135441-06-3|119611-00-6|205862-65-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032548
ARPathway2016 ARPathway2016_21 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6 DTXSID8032548 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=C(CCC(CN2C=NC=N2)(C#N)C2=CC=CC=C2)C=C1 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|alpha-(2-(4-Chlorophenyl)ethyl)-alpha-phenyl-1H-1,2,4-triazole-1-propanenitrile|Fenbuconazole|RH-7592|1135441-06-3|119611-00-6|205862-65-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032548
ARPathway2016 ARPathway2016_21 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6 DTXSID8032548 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC1=CC=C(CCC(CN2C=NC=N2)(C#N)C2=CC=CC=C2)C=C1 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|alpha-(2-(4-Chlorophenyl)ethyl)-alpha-phenyl-1H-1,2,4-triazole-1-propanenitrile|Fenbuconazole|RH-7592|1135441-06-3|119611-00-6|205862-65-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032548
ARPathway2016 ARPathway2016_21 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6 DTXSID8032548 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=C(CCC(CN2C=NC=N2)(C#N)C2=CC=CC=C2)C=C1 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|alpha-(2-(4-Chlorophenyl)ethyl)-alpha-phenyl-1H-1,2,4-triazole-1-propanenitrile|Fenbuconazole|RH-7592|1135441-06-3|119611-00-6|205862-65-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032548
ERPathway2016 ERPathway2016_488 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6 DTXSID8032548 R8 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=C(CCC(CN2C=NC=N2)(C#N)C2=CC=CC=C2)C=C1 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|alpha-(2-(4-Chlorophenyl)ethyl)-alpha-phenyl-1H-1,2,4-triazole-1-propanenitrile|Fenbuconazole|RH-7592|1135441-06-3|119611-00-6|205862-65-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032548
ERPathway2016 ERPathway2016_488 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6 DTXSID8032548 R8 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=C(CCC(CN2C=NC=N2)(C#N)C2=CC=CC=C2)C=C1 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|alpha-(2-(4-Chlorophenyl)ethyl)-alpha-phenyl-1H-1,2,4-triazole-1-propanenitrile|Fenbuconazole|RH-7592|1135441-06-3|119611-00-6|205862-65-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032548
ERPathway2016 ERPathway2016_488 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6 DTXSID8032548 R8 ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC=C(CCC(CN2C=NC=N2)(C#N)C2=CC=CC=C2)C=C1 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|alpha-(2-(4-Chlorophenyl)ethyl)-alpha-phenyl-1H-1,2,4-triazole-1-propanenitrile|Fenbuconazole|RH-7592|1135441-06-3|119611-00-6|205862-65-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032548
ERPathway2016 ERPathway2016_488 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6 DTXSID8032548 R8 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=C(CCC(CN2C=NC=N2)(C#N)C2=CC=CC=C2)C=C1 4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile 114369-43-6|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile|alpha-(2-(4-Chlorophenyl)ethyl)-alpha-phenyl-1H-1,2,4-triazole-1-propanenitrile|Fenbuconazole|RH-7592|1135441-06-3|119611-00-6|205862-65-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032548
ARPathway2016 ARPathway2016_426 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3 DTXSID4020618 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.N#CC1=CC=C(C=C1)C1CCCC2=CN=CN12 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-, monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-,hydrochloride (1:1)|Fadrozole HCl|Fadrozole hydrochloride|Imidazo[1,5-a]pyridine, benzonitrile deriv.|UNII-H0Q44H4ECQ|102676-96-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020618
ARPathway2016 ARPathway2016_426 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3 DTXSID4020618 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cl.N#CC1=CC=C(C=C1)C1CCCC2=CN=CN12 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-, monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-,hydrochloride (1:1)|Fadrozole HCl|Fadrozole hydrochloride|Imidazo[1,5-a]pyridine, benzonitrile deriv.|UNII-H0Q44H4ECQ|102676-96-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020618
ARPathway2016 ARPathway2016_426 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3 DTXSID4020618 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cl.N#CC1=CC=C(C=C1)C1CCCC2=CN=CN12 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-, monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-,hydrochloride (1:1)|Fadrozole HCl|Fadrozole hydrochloride|Imidazo[1,5-a]pyridine, benzonitrile deriv.|UNII-H0Q44H4ECQ|102676-96-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020618
ARPathway2016 ARPathway2016_426 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3 DTXSID4020618 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cl.N#CC1=CC=C(C=C1)C1CCCC2=CN=CN12 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-, monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-,hydrochloride (1:1)|Fadrozole HCl|Fadrozole hydrochloride|Imidazo[1,5-a]pyridine, benzonitrile deriv.|UNII-H0Q44H4ECQ|102676-96-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020618
ERPathway2016 ERPathway2016_252 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3 DTXSID4020618 R8 ER Pathway Model, Antagonist AC50 46.9176680479474 uM Cl.N#CC1=CC=C(C=C1)C1CCCC2=CN=CN12 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-, monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-,hydrochloride (1:1)|Fadrozole HCl|Fadrozole hydrochloride|Imidazo[1,5-a]pyridine, benzonitrile deriv.|UNII-H0Q44H4ECQ|102676-96-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020618
ERPathway2016 ERPathway2016_252 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3 DTXSID4020618 R8 ER Pathway Model, Antagonist ACC 20.5444104116666 uM Cl.N#CC1=CC=C(C=C1)C1CCCC2=CN=CN12 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-, monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-,hydrochloride (1:1)|Fadrozole HCl|Fadrozole hydrochloride|Imidazo[1,5-a]pyridine, benzonitrile deriv.|UNII-H0Q44H4ECQ|102676-96-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020618
ERPathway2016 ERPathway2016_252 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3 DTXSID4020618 R8 ER Pathway Model, Agonist Model Score 0.0825 Unitless Cl.N#CC1=CC=C(C=C1)C1CCCC2=CN=CN12 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-, monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-,hydrochloride (1:1)|Fadrozole HCl|Fadrozole hydrochloride|Imidazo[1,5-a]pyridine, benzonitrile deriv.|UNII-H0Q44H4ECQ|102676-96-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020618
ERPathway2016 ERPathway2016_252 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3 DTXSID4020618 R8 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.N#CC1=CC=C(C=C1)C1CCCC2=CN=CN12 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-, monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-,hydrochloride (1:1)|Fadrozole HCl|Fadrozole hydrochloride|Imidazo[1,5-a]pyridine, benzonitrile deriv.|UNII-H0Q44H4ECQ|102676-96-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020618
ERPathway2016 ERPathway2016_252 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3 DTXSID4020618 R8 ER Pathway Model, Agonist Call Inactive Unitless Cl.N#CC1=CC=C(C=C1)C1CCCC2=CN=CN12 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-, monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-,hydrochloride (1:1)|Fadrozole HCl|Fadrozole hydrochloride|Imidazo[1,5-a]pyridine, benzonitrile deriv.|UNII-H0Q44H4ECQ|102676-96-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020618
ERPathway2016 ERPathway2016_252 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3 DTXSID4020618 R8 ER Pathway Model, Antagonist Call Active Unitless Cl.N#CC1=CC=C(C=C1)C1CCCC2=CN=CN12 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride 102676-31-3|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-, monohydrochloride|Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-,hydrochloride (1:1)|Fadrozole HCl|Fadrozole hydrochloride|Imidazo[1,5-a]pyridine, benzonitrile deriv.|UNII-H0Q44H4ECQ|102676-96-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020618
ARPathway2016 ARPathway2016_1822 4-(Butan-2-yl)phenol 99-71-8 DTXSID7022332 1.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(C)C1=CC=C(O)C=C1 4-(Butan-2-yl)phenol 99-71-8|4-(Butan-2-yl)phenol|1-Hydroxy-4-sec-butylbenzene|4-(1-Methylpropyl)phenol|4-(2-Butyl)phenol|4-sec-Butylphenol|BRN 1364714|EINECS 202-781-5|NSC 2210|p-(sec-Butyl)phenol|Phenol, 4-(1-methylpropyl)-|UNII-WU4KME5B3X https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022332
ARPathway2016 ARPathway2016_1822 4-(Butan-2-yl)phenol 99-71-8 DTXSID7022332 1.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)C1=CC=C(O)C=C1 4-(Butan-2-yl)phenol 99-71-8|4-(Butan-2-yl)phenol|1-Hydroxy-4-sec-butylbenzene|4-(1-Methylpropyl)phenol|4-(2-Butyl)phenol|4-sec-Butylphenol|BRN 1364714|EINECS 202-781-5|NSC 2210|p-(sec-Butyl)phenol|Phenol, 4-(1-methylpropyl)-|UNII-WU4KME5B3X https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022332
ARPathway2016 ARPathway2016_1822 4-(Butan-2-yl)phenol 99-71-8 DTXSID7022332 1.0 AR Pathway Model, Agonist Call Inactive Unitless CCC(C)C1=CC=C(O)C=C1 4-(Butan-2-yl)phenol 99-71-8|4-(Butan-2-yl)phenol|1-Hydroxy-4-sec-butylbenzene|4-(1-Methylpropyl)phenol|4-(2-Butyl)phenol|4-sec-Butylphenol|BRN 1364714|EINECS 202-781-5|NSC 2210|p-(sec-Butyl)phenol|Phenol, 4-(1-methylpropyl)-|UNII-WU4KME5B3X https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022332
ARPathway2016 ARPathway2016_1822 4-(Butan-2-yl)phenol 99-71-8 DTXSID7022332 1.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)C1=CC=C(O)C=C1 4-(Butan-2-yl)phenol 99-71-8|4-(Butan-2-yl)phenol|1-Hydroxy-4-sec-butylbenzene|4-(1-Methylpropyl)phenol|4-(2-Butyl)phenol|4-sec-Butylphenol|BRN 1364714|EINECS 202-781-5|NSC 2210|p-(sec-Butyl)phenol|Phenol, 4-(1-methylpropyl)-|UNII-WU4KME5B3X https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022332
ERPathway2016 ERPathway2016_208 4-(Butan-2-yl)phenol 99-71-8 DTXSID7022332 Agonist ER Pathway Model, Antagonist AC50 20.4331356255408 uM CCC(C)C1=CC=C(O)C=C1 4-(Butan-2-yl)phenol 99-71-8|4-(Butan-2-yl)phenol|1-Hydroxy-4-sec-butylbenzene|4-(1-Methylpropyl)phenol|4-(2-Butyl)phenol|4-sec-Butylphenol|BRN 1364714|EINECS 202-781-5|NSC 2210|p-(sec-Butyl)phenol|Phenol, 4-(1-methylpropyl)-|UNII-WU4KME5B3X https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022332
ERPathway2016 ERPathway2016_208 4-(Butan-2-yl)phenol 99-71-8 DTXSID7022332 Agonist ER Pathway Model, Antagonist ACC 9.61633346385952 uM CCC(C)C1=CC=C(O)C=C1 4-(Butan-2-yl)phenol 99-71-8|4-(Butan-2-yl)phenol|1-Hydroxy-4-sec-butylbenzene|4-(1-Methylpropyl)phenol|4-(2-Butyl)phenol|4-sec-Butylphenol|BRN 1364714|EINECS 202-781-5|NSC 2210|p-(sec-Butyl)phenol|Phenol, 4-(1-methylpropyl)-|UNII-WU4KME5B3X https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022332
ERPathway2016 ERPathway2016_208 4-(Butan-2-yl)phenol 99-71-8 DTXSID7022332 Agonist ER Pathway Model, Agonist Model Score 0.163 Unitless CCC(C)C1=CC=C(O)C=C1 4-(Butan-2-yl)phenol 99-71-8|4-(Butan-2-yl)phenol|1-Hydroxy-4-sec-butylbenzene|4-(1-Methylpropyl)phenol|4-(2-Butyl)phenol|4-sec-Butylphenol|BRN 1364714|EINECS 202-781-5|NSC 2210|p-(sec-Butyl)phenol|Phenol, 4-(1-methylpropyl)-|UNII-WU4KME5B3X https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022332
ERPathway2016 ERPathway2016_208 4-(Butan-2-yl)phenol 99-71-8 DTXSID7022332 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)C1=CC=C(O)C=C1 4-(Butan-2-yl)phenol 99-71-8|4-(Butan-2-yl)phenol|1-Hydroxy-4-sec-butylbenzene|4-(1-Methylpropyl)phenol|4-(2-Butyl)phenol|4-sec-Butylphenol|BRN 1364714|EINECS 202-781-5|NSC 2210|p-(sec-Butyl)phenol|Phenol, 4-(1-methylpropyl)-|UNII-WU4KME5B3X https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022332
ERPathway2016 ERPathway2016_208 4-(Butan-2-yl)phenol 99-71-8 DTXSID7022332 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCC(C)C1=CC=C(O)C=C1 4-(Butan-2-yl)phenol 99-71-8|4-(Butan-2-yl)phenol|1-Hydroxy-4-sec-butylbenzene|4-(1-Methylpropyl)phenol|4-(2-Butyl)phenol|4-sec-Butylphenol|BRN 1364714|EINECS 202-781-5|NSC 2210|p-(sec-Butyl)phenol|Phenol, 4-(1-methylpropyl)-|UNII-WU4KME5B3X https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022332
ERPathway2016 ERPathway2016_208 4-(Butan-2-yl)phenol 99-71-8 DTXSID7022332 Agonist ER Pathway Model, Antagonist Call Active Unitless CCC(C)C1=CC=C(O)C=C1 4-(Butan-2-yl)phenol 99-71-8|4-(Butan-2-yl)phenol|1-Hydroxy-4-sec-butylbenzene|4-(1-Methylpropyl)phenol|4-(2-Butyl)phenol|4-sec-Butylphenol|BRN 1364714|EINECS 202-781-5|NSC 2210|p-(sec-Butyl)phenol|Phenol, 4-(1-methylpropyl)-|UNII-WU4KME5B3X https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022332
ARPathway2016 ARPathway2016_995 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3 DTXSID7029320 1.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|2-ETHYLHEXYL 4-(DIMETHYLAMINO) BENZOATE|2-Ethylhexyl 4-(dimethylamino)benzoate|2-Ethylhexyl 4-(N,N-dimethylamino)benzoate|2-Ethylhexyl N,N-dimethyl-p-aminobenzoate|2-Ethylhexyl p-(dimethylamino)benzoate|2-Ethylhexyl p-(N,N-dimethylamino)benzoate|2-Ethylhexyl p-dimethylaminobenzoate|2-Ethylhexyl-4-(dimethylamino)benzoat|2-Ethylhexyl-p-dimethyl-aminobenzoate|4-(Dimethylamino)benzoate de 2-ethylhexyle|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|4-(dimetilamino)benzoato de 2-etilhexilo|Arlatone UVB|BENZOATE, 1,4-DIMETHYLAMINO-, 2-ETHYLHEXYL|Benzoic acid, 4-(dimethylamino)-, 2-ethylhexyl ester|Benzoic acid, p-(dimethylamino)-, 2-ethylhexyl ester|EINECS 244-289-3|Escalol 507|Eusolex 6007|OCTYL DIMETHYL PABA|P-DIMETHYLAMINOBENZOESAUREISOOCTYLESTER|Padimate O|Quantacure EHA|UNII-Z11006CMUZ|127361-11-9|676261-74-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029320 https://doi.org/10.22427/NTP-DATA-DTXSID7029320
ARPathway2016 ARPathway2016_995 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3 DTXSID7029320 1.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|2-ETHYLHEXYL 4-(DIMETHYLAMINO) BENZOATE|2-Ethylhexyl 4-(dimethylamino)benzoate|2-Ethylhexyl 4-(N,N-dimethylamino)benzoate|2-Ethylhexyl N,N-dimethyl-p-aminobenzoate|2-Ethylhexyl p-(dimethylamino)benzoate|2-Ethylhexyl p-(N,N-dimethylamino)benzoate|2-Ethylhexyl p-dimethylaminobenzoate|2-Ethylhexyl-4-(dimethylamino)benzoat|2-Ethylhexyl-p-dimethyl-aminobenzoate|4-(Dimethylamino)benzoate de 2-ethylhexyle|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|4-(dimetilamino)benzoato de 2-etilhexilo|Arlatone UVB|BENZOATE, 1,4-DIMETHYLAMINO-, 2-ETHYLHEXYL|Benzoic acid, 4-(dimethylamino)-, 2-ethylhexyl ester|Benzoic acid, p-(dimethylamino)-, 2-ethylhexyl ester|EINECS 244-289-3|Escalol 507|Eusolex 6007|OCTYL DIMETHYL PABA|P-DIMETHYLAMINOBENZOESAUREISOOCTYLESTER|Padimate O|Quantacure EHA|UNII-Z11006CMUZ|127361-11-9|676261-74-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029320 https://doi.org/10.22427/NTP-DATA-DTXSID7029320
ARPathway2016 ARPathway2016_995 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3 DTXSID7029320 1.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|2-ETHYLHEXYL 4-(DIMETHYLAMINO) BENZOATE|2-Ethylhexyl 4-(dimethylamino)benzoate|2-Ethylhexyl 4-(N,N-dimethylamino)benzoate|2-Ethylhexyl N,N-dimethyl-p-aminobenzoate|2-Ethylhexyl p-(dimethylamino)benzoate|2-Ethylhexyl p-(N,N-dimethylamino)benzoate|2-Ethylhexyl p-dimethylaminobenzoate|2-Ethylhexyl-4-(dimethylamino)benzoat|2-Ethylhexyl-p-dimethyl-aminobenzoate|4-(Dimethylamino)benzoate de 2-ethylhexyle|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|4-(dimetilamino)benzoato de 2-etilhexilo|Arlatone UVB|BENZOATE, 1,4-DIMETHYLAMINO-, 2-ETHYLHEXYL|Benzoic acid, 4-(dimethylamino)-, 2-ethylhexyl ester|Benzoic acid, p-(dimethylamino)-, 2-ethylhexyl ester|EINECS 244-289-3|Escalol 507|Eusolex 6007|OCTYL DIMETHYL PABA|P-DIMETHYLAMINOBENZOESAUREISOOCTYLESTER|Padimate O|Quantacure EHA|UNII-Z11006CMUZ|127361-11-9|676261-74-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029320 https://doi.org/10.22427/NTP-DATA-DTXSID7029320
ARPathway2016 ARPathway2016_995 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3 DTXSID7029320 1.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|2-ETHYLHEXYL 4-(DIMETHYLAMINO) BENZOATE|2-Ethylhexyl 4-(dimethylamino)benzoate|2-Ethylhexyl 4-(N,N-dimethylamino)benzoate|2-Ethylhexyl N,N-dimethyl-p-aminobenzoate|2-Ethylhexyl p-(dimethylamino)benzoate|2-Ethylhexyl p-(N,N-dimethylamino)benzoate|2-Ethylhexyl p-dimethylaminobenzoate|2-Ethylhexyl-4-(dimethylamino)benzoat|2-Ethylhexyl-p-dimethyl-aminobenzoate|4-(Dimethylamino)benzoate de 2-ethylhexyle|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|4-(dimetilamino)benzoato de 2-etilhexilo|Arlatone UVB|BENZOATE, 1,4-DIMETHYLAMINO-, 2-ETHYLHEXYL|Benzoic acid, 4-(dimethylamino)-, 2-ethylhexyl ester|Benzoic acid, p-(dimethylamino)-, 2-ethylhexyl ester|EINECS 244-289-3|Escalol 507|Eusolex 6007|OCTYL DIMETHYL PABA|P-DIMETHYLAMINOBENZOESAUREISOOCTYLESTER|Padimate O|Quantacure EHA|UNII-Z11006CMUZ|127361-11-9|676261-74-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029320 https://doi.org/10.22427/NTP-DATA-DTXSID7029320
ERPathway2016 ERPathway2016_388 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3 DTXSID7029320 ER Pathway Model, Antagonist AC50 8.92030686234856 uM CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|2-ETHYLHEXYL 4-(DIMETHYLAMINO) BENZOATE|2-Ethylhexyl 4-(dimethylamino)benzoate|2-Ethylhexyl 4-(N,N-dimethylamino)benzoate|2-Ethylhexyl N,N-dimethyl-p-aminobenzoate|2-Ethylhexyl p-(dimethylamino)benzoate|2-Ethylhexyl p-(N,N-dimethylamino)benzoate|2-Ethylhexyl p-dimethylaminobenzoate|2-Ethylhexyl-4-(dimethylamino)benzoat|2-Ethylhexyl-p-dimethyl-aminobenzoate|4-(Dimethylamino)benzoate de 2-ethylhexyle|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|4-(dimetilamino)benzoato de 2-etilhexilo|Arlatone UVB|BENZOATE, 1,4-DIMETHYLAMINO-, 2-ETHYLHEXYL|Benzoic acid, 4-(dimethylamino)-, 2-ethylhexyl ester|Benzoic acid, p-(dimethylamino)-, 2-ethylhexyl ester|EINECS 244-289-3|Escalol 507|Eusolex 6007|OCTYL DIMETHYL PABA|P-DIMETHYLAMINOBENZOESAUREISOOCTYLESTER|Padimate O|Quantacure EHA|UNII-Z11006CMUZ|127361-11-9|676261-74-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029320 https://doi.org/10.22427/NTP-DATA-DTXSID7029320
ERPathway2016 ERPathway2016_388 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3 DTXSID7029320 ER Pathway Model, Antagonist ACC 9.19961177346848 uM CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|2-ETHYLHEXYL 4-(DIMETHYLAMINO) BENZOATE|2-Ethylhexyl 4-(dimethylamino)benzoate|2-Ethylhexyl 4-(N,N-dimethylamino)benzoate|2-Ethylhexyl N,N-dimethyl-p-aminobenzoate|2-Ethylhexyl p-(dimethylamino)benzoate|2-Ethylhexyl p-(N,N-dimethylamino)benzoate|2-Ethylhexyl p-dimethylaminobenzoate|2-Ethylhexyl-4-(dimethylamino)benzoat|2-Ethylhexyl-p-dimethyl-aminobenzoate|4-(Dimethylamino)benzoate de 2-ethylhexyle|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|4-(dimetilamino)benzoato de 2-etilhexilo|Arlatone UVB|BENZOATE, 1,4-DIMETHYLAMINO-, 2-ETHYLHEXYL|Benzoic acid, 4-(dimethylamino)-, 2-ethylhexyl ester|Benzoic acid, p-(dimethylamino)-, 2-ethylhexyl ester|EINECS 244-289-3|Escalol 507|Eusolex 6007|OCTYL DIMETHYL PABA|P-DIMETHYLAMINOBENZOESAUREISOOCTYLESTER|Padimate O|Quantacure EHA|UNII-Z11006CMUZ|127361-11-9|676261-74-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029320 https://doi.org/10.22427/NTP-DATA-DTXSID7029320
ERPathway2016 ERPathway2016_388 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3 DTXSID7029320 ER Pathway Model, Agonist Model Score 0.0114 Unitless CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|2-ETHYLHEXYL 4-(DIMETHYLAMINO) BENZOATE|2-Ethylhexyl 4-(dimethylamino)benzoate|2-Ethylhexyl 4-(N,N-dimethylamino)benzoate|2-Ethylhexyl N,N-dimethyl-p-aminobenzoate|2-Ethylhexyl p-(dimethylamino)benzoate|2-Ethylhexyl p-(N,N-dimethylamino)benzoate|2-Ethylhexyl p-dimethylaminobenzoate|2-Ethylhexyl-4-(dimethylamino)benzoat|2-Ethylhexyl-p-dimethyl-aminobenzoate|4-(Dimethylamino)benzoate de 2-ethylhexyle|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|4-(dimetilamino)benzoato de 2-etilhexilo|Arlatone UVB|BENZOATE, 1,4-DIMETHYLAMINO-, 2-ETHYLHEXYL|Benzoic acid, 4-(dimethylamino)-, 2-ethylhexyl ester|Benzoic acid, p-(dimethylamino)-, 2-ethylhexyl ester|EINECS 244-289-3|Escalol 507|Eusolex 6007|OCTYL DIMETHYL PABA|P-DIMETHYLAMINOBENZOESAUREISOOCTYLESTER|Padimate O|Quantacure EHA|UNII-Z11006CMUZ|127361-11-9|676261-74-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029320 https://doi.org/10.22427/NTP-DATA-DTXSID7029320
ERPathway2016 ERPathway2016_388 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3 DTXSID7029320 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|2-ETHYLHEXYL 4-(DIMETHYLAMINO) BENZOATE|2-Ethylhexyl 4-(dimethylamino)benzoate|2-Ethylhexyl 4-(N,N-dimethylamino)benzoate|2-Ethylhexyl N,N-dimethyl-p-aminobenzoate|2-Ethylhexyl p-(dimethylamino)benzoate|2-Ethylhexyl p-(N,N-dimethylamino)benzoate|2-Ethylhexyl p-dimethylaminobenzoate|2-Ethylhexyl-4-(dimethylamino)benzoat|2-Ethylhexyl-p-dimethyl-aminobenzoate|4-(Dimethylamino)benzoate de 2-ethylhexyle|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|4-(dimetilamino)benzoato de 2-etilhexilo|Arlatone UVB|BENZOATE, 1,4-DIMETHYLAMINO-, 2-ETHYLHEXYL|Benzoic acid, 4-(dimethylamino)-, 2-ethylhexyl ester|Benzoic acid, p-(dimethylamino)-, 2-ethylhexyl ester|EINECS 244-289-3|Escalol 507|Eusolex 6007|OCTYL DIMETHYL PABA|P-DIMETHYLAMINOBENZOESAUREISOOCTYLESTER|Padimate O|Quantacure EHA|UNII-Z11006CMUZ|127361-11-9|676261-74-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029320 https://doi.org/10.22427/NTP-DATA-DTXSID7029320
ERPathway2016 ERPathway2016_388 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3 DTXSID7029320 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|2-ETHYLHEXYL 4-(DIMETHYLAMINO) BENZOATE|2-Ethylhexyl 4-(dimethylamino)benzoate|2-Ethylhexyl 4-(N,N-dimethylamino)benzoate|2-Ethylhexyl N,N-dimethyl-p-aminobenzoate|2-Ethylhexyl p-(dimethylamino)benzoate|2-Ethylhexyl p-(N,N-dimethylamino)benzoate|2-Ethylhexyl p-dimethylaminobenzoate|2-Ethylhexyl-4-(dimethylamino)benzoat|2-Ethylhexyl-p-dimethyl-aminobenzoate|4-(Dimethylamino)benzoate de 2-ethylhexyle|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|4-(dimetilamino)benzoato de 2-etilhexilo|Arlatone UVB|BENZOATE, 1,4-DIMETHYLAMINO-, 2-ETHYLHEXYL|Benzoic acid, 4-(dimethylamino)-, 2-ethylhexyl ester|Benzoic acid, p-(dimethylamino)-, 2-ethylhexyl ester|EINECS 244-289-3|Escalol 507|Eusolex 6007|OCTYL DIMETHYL PABA|P-DIMETHYLAMINOBENZOESAUREISOOCTYLESTER|Padimate O|Quantacure EHA|UNII-Z11006CMUZ|127361-11-9|676261-74-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029320 https://doi.org/10.22427/NTP-DATA-DTXSID7029320
ERPathway2016 ERPathway2016_388 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3 DTXSID7029320 ER Pathway Model, Antagonist Call Active Unitless CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester 21245-02-3|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|2-ETHYLHEXYL 4-(DIMETHYLAMINO) BENZOATE|2-Ethylhexyl 4-(dimethylamino)benzoate|2-Ethylhexyl 4-(N,N-dimethylamino)benzoate|2-Ethylhexyl N,N-dimethyl-p-aminobenzoate|2-Ethylhexyl p-(dimethylamino)benzoate|2-Ethylhexyl p-(N,N-dimethylamino)benzoate|2-Ethylhexyl p-dimethylaminobenzoate|2-Ethylhexyl-4-(dimethylamino)benzoat|2-Ethylhexyl-p-dimethyl-aminobenzoate|4-(Dimethylamino)benzoate de 2-ethylhexyle|4-(Dimethylamino)benzoic acid 2-ethylhexyl ester|4-(dimetilamino)benzoato de 2-etilhexilo|Arlatone UVB|BENZOATE, 1,4-DIMETHYLAMINO-, 2-ETHYLHEXYL|Benzoic acid, 4-(dimethylamino)-, 2-ethylhexyl ester|Benzoic acid, p-(dimethylamino)-, 2-ethylhexyl ester|EINECS 244-289-3|Escalol 507|Eusolex 6007|OCTYL DIMETHYL PABA|P-DIMETHYLAMINOBENZOESAUREISOOCTYLESTER|Padimate O|Quantacure EHA|UNII-Z11006CMUZ|127361-11-9|676261-74-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029320 https://doi.org/10.22427/NTP-DATA-DTXSID7029320
ARPathway2016 ARPathway2016_99 4-(Hexyloxy)phenol 18979-55-0 DTXSID4048195 1.0 Antagonist AR Pathway Model, Agonist AC50 47.99679585 uM CCCCCCOC1=CC=C(O)C=C1 4-(Hexyloxy)phenol 18979-55-0|4-(Hexyloxy)phenol|4-Hexyloxyphenol|EINECS 242-713-1|hexyloxyphenol|UNII-35IMS9L1FE https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048195 https://doi.org/10.22427/NTP-DATA-DTXSID4048195
ARPathway2016 ARPathway2016_99 4-(Hexyloxy)phenol 18979-55-0 DTXSID4048195 1.0 Antagonist AR Pathway Model, Agonist ACC 55.8279168698861 uM CCCCCCOC1=CC=C(O)C=C1 4-(Hexyloxy)phenol 18979-55-0|4-(Hexyloxy)phenol|4-Hexyloxyphenol|EINECS 242-713-1|hexyloxyphenol|UNII-35IMS9L1FE https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048195 https://doi.org/10.22427/NTP-DATA-DTXSID4048195
ARPathway2016 ARPathway2016_99 4-(Hexyloxy)phenol 18979-55-0 DTXSID4048195 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0721 Unitless CCCCCCOC1=CC=C(O)C=C1 4-(Hexyloxy)phenol 18979-55-0|4-(Hexyloxy)phenol|4-Hexyloxyphenol|EINECS 242-713-1|hexyloxyphenol|UNII-35IMS9L1FE https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048195 https://doi.org/10.22427/NTP-DATA-DTXSID4048195
ARPathway2016 ARPathway2016_99 4-(Hexyloxy)phenol 18979-55-0 DTXSID4048195 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCOC1=CC=C(O)C=C1 4-(Hexyloxy)phenol 18979-55-0|4-(Hexyloxy)phenol|4-Hexyloxyphenol|EINECS 242-713-1|hexyloxyphenol|UNII-35IMS9L1FE https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048195 https://doi.org/10.22427/NTP-DATA-DTXSID4048195
ARPathway2016 ARPathway2016_99 4-(Hexyloxy)phenol 18979-55-0 DTXSID4048195 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCCCOC1=CC=C(O)C=C1 4-(Hexyloxy)phenol 18979-55-0|4-(Hexyloxy)phenol|4-Hexyloxyphenol|EINECS 242-713-1|hexyloxyphenol|UNII-35IMS9L1FE https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048195 https://doi.org/10.22427/NTP-DATA-DTXSID4048195
ARPathway2016 ARPathway2016_99 4-(Hexyloxy)phenol 18979-55-0 DTXSID4048195 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCOC1=CC=C(O)C=C1 4-(Hexyloxy)phenol 18979-55-0|4-(Hexyloxy)phenol|4-Hexyloxyphenol|EINECS 242-713-1|hexyloxyphenol|UNII-35IMS9L1FE https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048195 https://doi.org/10.22427/NTP-DATA-DTXSID4048195
ERPathway2016 ERPathway2016_209 4-(Hexyloxy)phenol 18979-55-0 DTXSID4048195 Agonist ER Pathway Model, Antagonist AC50 13.2544209962742 uM CCCCCCOC1=CC=C(O)C=C1 4-(Hexyloxy)phenol 18979-55-0|4-(Hexyloxy)phenol|4-Hexyloxyphenol|EINECS 242-713-1|hexyloxyphenol|UNII-35IMS9L1FE https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048195 https://doi.org/10.22427/NTP-DATA-DTXSID4048195
ERPathway2016 ERPathway2016_209 4-(Hexyloxy)phenol 18979-55-0 DTXSID4048195 Agonist ER Pathway Model, Antagonist ACC 4.44275044247474 uM CCCCCCOC1=CC=C(O)C=C1 4-(Hexyloxy)phenol 18979-55-0|4-(Hexyloxy)phenol|4-Hexyloxyphenol|EINECS 242-713-1|hexyloxyphenol|UNII-35IMS9L1FE https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048195 https://doi.org/10.22427/NTP-DATA-DTXSID4048195
ERPathway2016 ERPathway2016_209 4-(Hexyloxy)phenol 18979-55-0 DTXSID4048195 Agonist ER Pathway Model, Agonist Model Score 0.161 Unitless CCCCCCOC1=CC=C(O)C=C1 4-(Hexyloxy)phenol 18979-55-0|4-(Hexyloxy)phenol|4-Hexyloxyphenol|EINECS 242-713-1|hexyloxyphenol|UNII-35IMS9L1FE https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048195 https://doi.org/10.22427/NTP-DATA-DTXSID4048195
ERPathway2016 ERPathway2016_209 4-(Hexyloxy)phenol 18979-55-0 DTXSID4048195 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCOC1=CC=C(O)C=C1 4-(Hexyloxy)phenol 18979-55-0|4-(Hexyloxy)phenol|4-Hexyloxyphenol|EINECS 242-713-1|hexyloxyphenol|UNII-35IMS9L1FE https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048195 https://doi.org/10.22427/NTP-DATA-DTXSID4048195
ERPathway2016 ERPathway2016_209 4-(Hexyloxy)phenol 18979-55-0 DTXSID4048195 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCCCCCOC1=CC=C(O)C=C1 4-(Hexyloxy)phenol 18979-55-0|4-(Hexyloxy)phenol|4-Hexyloxyphenol|EINECS 242-713-1|hexyloxyphenol|UNII-35IMS9L1FE https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048195 https://doi.org/10.22427/NTP-DATA-DTXSID4048195
ERPathway2016 ERPathway2016_209 4-(Hexyloxy)phenol 18979-55-0 DTXSID4048195 Agonist ER Pathway Model, Antagonist Call Active Unitless CCCCCCOC1=CC=C(O)C=C1 4-(Hexyloxy)phenol 18979-55-0|4-(Hexyloxy)phenol|4-Hexyloxyphenol|EINECS 242-713-1|hexyloxyphenol|UNII-35IMS9L1FE https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048195 https://doi.org/10.22427/NTP-DATA-DTXSID4048195
ARPathway2016 ARPathway2016_924 4-(tert-Pentyl)-cyclohexanone 16587-71-6 DTXSID4047127 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(C)(C)C1CCC(=O)CC1 4-(tert-Pentyl)-cyclohexanone 16587-71-6|4-(tert-Pentyl)-cyclohexanone|4-(1,1-Dimethylpropyl)cyclohexanone|4-07-00-00096|4-tert-Amylcyclohexanone|4-tert-Pentylcyclohexanone|BRN 2240475|Cyclohexanone, 4-(1,1-dimethylpropyl)-|Cyclohexanone, 4-tert-pentyl-|EINECS 240-642-0|NSC 21167 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047127
ARPathway2016 ARPathway2016_924 4-(tert-Pentyl)-cyclohexanone 16587-71-6 DTXSID4047127 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)(C)C1CCC(=O)CC1 4-(tert-Pentyl)-cyclohexanone 16587-71-6|4-(tert-Pentyl)-cyclohexanone|4-(1,1-Dimethylpropyl)cyclohexanone|4-07-00-00096|4-tert-Amylcyclohexanone|4-tert-Pentylcyclohexanone|BRN 2240475|Cyclohexanone, 4-(1,1-dimethylpropyl)-|Cyclohexanone, 4-tert-pentyl-|EINECS 240-642-0|NSC 21167 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047127
ARPathway2016 ARPathway2016_924 4-(tert-Pentyl)-cyclohexanone 16587-71-6 DTXSID4047127 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC(C)(C)C1CCC(=O)CC1 4-(tert-Pentyl)-cyclohexanone 16587-71-6|4-(tert-Pentyl)-cyclohexanone|4-(1,1-Dimethylpropyl)cyclohexanone|4-07-00-00096|4-tert-Amylcyclohexanone|4-tert-Pentylcyclohexanone|BRN 2240475|Cyclohexanone, 4-(1,1-dimethylpropyl)-|Cyclohexanone, 4-tert-pentyl-|EINECS 240-642-0|NSC 21167 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047127
ARPathway2016 ARPathway2016_924 4-(tert-Pentyl)-cyclohexanone 16587-71-6 DTXSID4047127 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)(C)C1CCC(=O)CC1 4-(tert-Pentyl)-cyclohexanone 16587-71-6|4-(tert-Pentyl)-cyclohexanone|4-(1,1-Dimethylpropyl)cyclohexanone|4-07-00-00096|4-tert-Amylcyclohexanone|4-tert-Pentylcyclohexanone|BRN 2240475|Cyclohexanone, 4-(1,1-dimethylpropyl)-|Cyclohexanone, 4-tert-pentyl-|EINECS 240-642-0|NSC 21167 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047127
ERPathway2016 ERPathway2016_286 4-(tert-Pentyl)-cyclohexanone 16587-71-6 DTXSID4047127 ER Pathway Model, Antagonist AC50 2.60978849726935 uM CCC(C)(C)C1CCC(=O)CC1 4-(tert-Pentyl)-cyclohexanone 16587-71-6|4-(tert-Pentyl)-cyclohexanone|4-(1,1-Dimethylpropyl)cyclohexanone|4-07-00-00096|4-tert-Amylcyclohexanone|4-tert-Pentylcyclohexanone|BRN 2240475|Cyclohexanone, 4-(1,1-dimethylpropyl)-|Cyclohexanone, 4-tert-pentyl-|EINECS 240-642-0|NSC 21167 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047127
ERPathway2016 ERPathway2016_286 4-(tert-Pentyl)-cyclohexanone 16587-71-6 DTXSID4047127 ER Pathway Model, Antagonist ACC 0.663218143681608 uM CCC(C)(C)C1CCC(=O)CC1 4-(tert-Pentyl)-cyclohexanone 16587-71-6|4-(tert-Pentyl)-cyclohexanone|4-(1,1-Dimethylpropyl)cyclohexanone|4-07-00-00096|4-tert-Amylcyclohexanone|4-tert-Pentylcyclohexanone|BRN 2240475|Cyclohexanone, 4-(1,1-dimethylpropyl)-|Cyclohexanone, 4-tert-pentyl-|EINECS 240-642-0|NSC 21167 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047127
ERPathway2016 ERPathway2016_286 4-(tert-Pentyl)-cyclohexanone 16587-71-6 DTXSID4047127 ER Pathway Model, Agonist Model Score 0.0437 Unitless CCC(C)(C)C1CCC(=O)CC1 4-(tert-Pentyl)-cyclohexanone 16587-71-6|4-(tert-Pentyl)-cyclohexanone|4-(1,1-Dimethylpropyl)cyclohexanone|4-07-00-00096|4-tert-Amylcyclohexanone|4-tert-Pentylcyclohexanone|BRN 2240475|Cyclohexanone, 4-(1,1-dimethylpropyl)-|Cyclohexanone, 4-tert-pentyl-|EINECS 240-642-0|NSC 21167 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047127
ERPathway2016 ERPathway2016_286 4-(tert-Pentyl)-cyclohexanone 16587-71-6 DTXSID4047127 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)(C)C1CCC(=O)CC1 4-(tert-Pentyl)-cyclohexanone 16587-71-6|4-(tert-Pentyl)-cyclohexanone|4-(1,1-Dimethylpropyl)cyclohexanone|4-07-00-00096|4-tert-Amylcyclohexanone|4-tert-Pentylcyclohexanone|BRN 2240475|Cyclohexanone, 4-(1,1-dimethylpropyl)-|Cyclohexanone, 4-tert-pentyl-|EINECS 240-642-0|NSC 21167 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047127
ERPathway2016 ERPathway2016_286 4-(tert-Pentyl)-cyclohexanone 16587-71-6 DTXSID4047127 ER Pathway Model, Agonist Call Inactive Unitless CCC(C)(C)C1CCC(=O)CC1 4-(tert-Pentyl)-cyclohexanone 16587-71-6|4-(tert-Pentyl)-cyclohexanone|4-(1,1-Dimethylpropyl)cyclohexanone|4-07-00-00096|4-tert-Amylcyclohexanone|4-tert-Pentylcyclohexanone|BRN 2240475|Cyclohexanone, 4-(1,1-dimethylpropyl)-|Cyclohexanone, 4-tert-pentyl-|EINECS 240-642-0|NSC 21167 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047127
ERPathway2016 ERPathway2016_286 4-(tert-Pentyl)-cyclohexanone 16587-71-6 DTXSID4047127 ER Pathway Model, Antagonist Call Active Unitless CCC(C)(C)C1CCC(=O)CC1 4-(tert-Pentyl)-cyclohexanone 16587-71-6|4-(tert-Pentyl)-cyclohexanone|4-(1,1-Dimethylpropyl)cyclohexanone|4-07-00-00096|4-tert-Amylcyclohexanone|4-tert-Pentylcyclohexanone|BRN 2240475|Cyclohexanone, 4-(1,1-dimethylpropyl)-|Cyclohexanone, 4-tert-pentyl-|EINECS 240-642-0|NSC 21167 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047127
ARPathway2016 ARPathway2016_618 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile 112809-51-5 DTXSID4023202 1.0 A2 AR Pathway Model, Antagonist Model Score 0 Unitless N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile 112809-51-5|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile|4-[1-(4-Cyanophenyl)-1-(1,2,4-triazol-1-yl)methyl]benzonitrile|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile|Benzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-|CGS 20267|Femera|Letocor|Letoripe|Letoval|Letrazole|Letrof L Lil|Letroz|Letrozol|Letrozole|UNII-7LKK855W8I|2189711-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023202
ARPathway2016 ARPathway2016_618 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile 112809-51-5 DTXSID4023202 1.0 A2 AR Pathway Model, Agonist Model Score 0 Unitless N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile 112809-51-5|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile|4-[1-(4-Cyanophenyl)-1-(1,2,4-triazol-1-yl)methyl]benzonitrile|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile|Benzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-|CGS 20267|Femera|Letocor|Letoripe|Letoval|Letrazole|Letrof L Lil|Letroz|Letrozol|Letrozole|UNII-7LKK855W8I|2189711-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023202
ARPathway2016 ARPathway2016_618 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile 112809-51-5 DTXSID4023202 1.0 A2 AR Pathway Model, Agonist Call Inactive Unitless N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile 112809-51-5|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile|4-[1-(4-Cyanophenyl)-1-(1,2,4-triazol-1-yl)methyl]benzonitrile|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile|Benzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-|CGS 20267|Femera|Letocor|Letoripe|Letoval|Letrazole|Letrof L Lil|Letroz|Letrozol|Letrozole|UNII-7LKK855W8I|2189711-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023202
ARPathway2016 ARPathway2016_618 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile 112809-51-5 DTXSID4023202 1.0 A2 AR Pathway Model, Antagonist Call Inactive Unitless N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile 112809-51-5|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile|4-[1-(4-Cyanophenyl)-1-(1,2,4-triazol-1-yl)methyl]benzonitrile|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile|Benzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-|CGS 20267|Femera|Letocor|Letoripe|Letoval|Letrazole|Letrof L Lil|Letroz|Letrozol|Letrozole|UNII-7LKK855W8I|2189711-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023202
ERPathway2016 ERPathway2016_1182 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile 112809-51-5 DTXSID4023202 ER Pathway Model, Agonist Model Score 0 Unitless N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile 112809-51-5|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile|4-[1-(4-Cyanophenyl)-1-(1,2,4-triazol-1-yl)methyl]benzonitrile|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile|Benzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-|CGS 20267|Femera|Letocor|Letoripe|Letoval|Letrazole|Letrof L Lil|Letroz|Letrozol|Letrozole|UNII-7LKK855W8I|2189711-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023202
ERPathway2016 ERPathway2016_1182 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile 112809-51-5 DTXSID4023202 ER Pathway Model, Antagonist Model Score 0 Unitless N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile 112809-51-5|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile|4-[1-(4-Cyanophenyl)-1-(1,2,4-triazol-1-yl)methyl]benzonitrile|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile|Benzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-|CGS 20267|Femera|Letocor|Letoripe|Letoval|Letrazole|Letrof L Lil|Letroz|Letrozol|Letrozole|UNII-7LKK855W8I|2189711-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023202
ERPathway2016 ERPathway2016_1182 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile 112809-51-5 DTXSID4023202 ER Pathway Model, Agonist Call Inactive Unitless N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile 112809-51-5|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile|4-[1-(4-Cyanophenyl)-1-(1,2,4-triazol-1-yl)methyl]benzonitrile|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile|Benzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-|CGS 20267|Femera|Letocor|Letoripe|Letoval|Letrazole|Letrof L Lil|Letroz|Letrozol|Letrozole|UNII-7LKK855W8I|2189711-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023202
ERPathway2016 ERPathway2016_1182 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile 112809-51-5 DTXSID4023202 ER Pathway Model, Antagonist Call Inactive Unitless N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile 112809-51-5|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile|4-[1-(4-Cyanophenyl)-1-(1,2,4-triazol-1-yl)methyl]benzonitrile|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]|4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile|Benzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-|CGS 20267|Femera|Letocor|Letoripe|Letoval|Letrazole|Letrof L Lil|Letroz|Letrozol|Letrozole|UNII-7LKK855W8I|2189711-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023202
ARPathway2016 ARPathway2016_359 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8 DTXSID2037712 FLAG: Wrong direction shift (Hit/Hit) 0.0 Agonist AR Pathway Model, Antagonist ACC 29.5859537194366 uM CC(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8|4,4',4''-Ethane-1,1,1-triyltriphenol|4,4',4''-Ethylidynetrisphenol|4,4',4"-Ethane-1,1,1-triyltriphenol|Tris(4-hydroxyphenyl)ethane|UNII-25K43J16E2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037712
ARPathway2016 ARPathway2016_359 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8 DTXSID2037712 FLAG: Wrong direction shift (Hit/Hit) 0.0 Agonist AR Pathway Model, Antagonist AC50 7.606580101 uM CC(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8|4,4',4''-Ethane-1,1,1-triyltriphenol|4,4',4''-Ethylidynetrisphenol|4,4',4"-Ethane-1,1,1-triyltriphenol|Tris(4-hydroxyphenyl)ethane|UNII-25K43J16E2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037712
ARPathway2016 ARPathway2016_359 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8 DTXSID2037712 FLAG: Wrong direction shift (Hit/Hit) 0.0 Agonist AR Pathway Model, Antagonist Model Score 0.0747 Unitless CC(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8|4,4',4''-Ethane-1,1,1-triyltriphenol|4,4',4''-Ethylidynetrisphenol|4,4',4"-Ethane-1,1,1-triyltriphenol|Tris(4-hydroxyphenyl)ethane|UNII-25K43J16E2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037712
ARPathway2016 ARPathway2016_359 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8 DTXSID2037712 FLAG: Wrong direction shift (Hit/Hit) 0.0 Agonist AR Pathway Model, Agonist Model Score 0.241 Unitless CC(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8|4,4',4''-Ethane-1,1,1-triyltriphenol|4,4',4''-Ethylidynetrisphenol|4,4',4"-Ethane-1,1,1-triyltriphenol|Tris(4-hydroxyphenyl)ethane|UNII-25K43J16E2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037712
ARPathway2016 ARPathway2016_359 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8 DTXSID2037712 FLAG: Wrong direction shift (Hit/Hit) 0.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless CC(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8|4,4',4''-Ethane-1,1,1-triyltriphenol|4,4',4''-Ethylidynetrisphenol|4,4',4"-Ethane-1,1,1-triyltriphenol|Tris(4-hydroxyphenyl)ethane|UNII-25K43J16E2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037712
ARPathway2016 ARPathway2016_359 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8 DTXSID2037712 FLAG: Wrong direction shift (Hit/Hit) 0.0 Agonist AR Pathway Model, Antagonist Call Active Unitless CC(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8|4,4',4''-Ethane-1,1,1-triyltriphenol|4,4',4''-Ethylidynetrisphenol|4,4',4"-Ethane-1,1,1-triyltriphenol|Tris(4-hydroxyphenyl)ethane|UNII-25K43J16E2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037712
ERPathway2016 ERPathway2016_179 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8 DTXSID2037712 Agonist ER Pathway Model, Antagonist AC50 3.0171206703798 uM CC(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8|4,4',4''-Ethane-1,1,1-triyltriphenol|4,4',4''-Ethylidynetrisphenol|4,4',4"-Ethane-1,1,1-triyltriphenol|Tris(4-hydroxyphenyl)ethane|UNII-25K43J16E2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037712
ERPathway2016 ERPathway2016_179 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8 DTXSID2037712 Agonist ER Pathway Model, Antagonist ACC 1.16422585478293 uM CC(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8|4,4',4''-Ethane-1,1,1-triyltriphenol|4,4',4''-Ethylidynetrisphenol|4,4',4"-Ethane-1,1,1-triyltriphenol|Tris(4-hydroxyphenyl)ethane|UNII-25K43J16E2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037712
ERPathway2016 ERPathway2016_179 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8 DTXSID2037712 Agonist ER Pathway Model, Agonist Model Score 0.319 Unitless CC(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8|4,4',4''-Ethane-1,1,1-triyltriphenol|4,4',4''-Ethylidynetrisphenol|4,4',4"-Ethane-1,1,1-triyltriphenol|Tris(4-hydroxyphenyl)ethane|UNII-25K43J16E2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037712
ERPathway2016 ERPathway2016_179 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8 DTXSID2037712 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8|4,4',4''-Ethane-1,1,1-triyltriphenol|4,4',4''-Ethylidynetrisphenol|4,4',4"-Ethane-1,1,1-triyltriphenol|Tris(4-hydroxyphenyl)ethane|UNII-25K43J16E2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037712
ERPathway2016 ERPathway2016_179 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8 DTXSID2037712 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8|4,4',4''-Ethane-1,1,1-triyltriphenol|4,4',4''-Ethylidynetrisphenol|4,4',4"-Ethane-1,1,1-triyltriphenol|Tris(4-hydroxyphenyl)ethane|UNII-25K43J16E2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037712
ERPathway2016 ERPathway2016_179 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8 DTXSID2037712 Agonist ER Pathway Model, Antagonist Call Active Unitless CC(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4',4''-Ethane-1,1,1-triyltriphenol 27955-94-8|4,4',4''-Ethane-1,1,1-triyltriphenol|4,4',4''-Ethylidynetrisphenol|4,4',4"-Ethane-1,1,1-triyltriphenol|Tris(4-hydroxyphenyl)ethane|UNII-25K43J16E2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037712
ARPathway2016 ARPathway2016_1318 4,4'-Bipyridine 553-26-4 DTXSID2027200 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1=CC(=CC=N1)C1=CC=NC=C1 4,4'-Bipyridine 553-26-4|4,4'-Bipyridine|4-(4-Pyridyl)pyridine|4,4-Bipyridin|4,4-Bipyridyl|4,4-Dipyridyl|4,4'-bipiridilo|4,4'-BIPYRIDYL|4,4'-Bipyridyle|4,4'-bpy|4,4'-Dipyridine|4,4'-Dipyridyl|4,4'-Dipyridyl hydrate|5-23-08-00028|BIPYRIDINE(4,4')|BRN 0113176|EINECS 209-036-3|gamma,gamma'-bipyridyl|gamma,gamma'-dipyridyl|NSC 404423|UNII-X4O2OD61CB|g,g'-Bipyridyl|g,g'-Dipyridyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027200
ARPathway2016 ARPathway2016_1318 4,4'-Bipyridine 553-26-4 DTXSID2027200 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1=CC(=CC=N1)C1=CC=NC=C1 4,4'-Bipyridine 553-26-4|4,4'-Bipyridine|4-(4-Pyridyl)pyridine|4,4-Bipyridin|4,4-Bipyridyl|4,4-Dipyridyl|4,4'-bipiridilo|4,4'-BIPYRIDYL|4,4'-Bipyridyle|4,4'-bpy|4,4'-Dipyridine|4,4'-Dipyridyl|4,4'-Dipyridyl hydrate|5-23-08-00028|BIPYRIDINE(4,4')|BRN 0113176|EINECS 209-036-3|gamma,gamma'-bipyridyl|gamma,gamma'-dipyridyl|NSC 404423|UNII-X4O2OD61CB|g,g'-Bipyridyl|g,g'-Dipyridyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027200
ARPathway2016 ARPathway2016_1318 4,4'-Bipyridine 553-26-4 DTXSID2027200 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1=CC(=CC=N1)C1=CC=NC=C1 4,4'-Bipyridine 553-26-4|4,4'-Bipyridine|4-(4-Pyridyl)pyridine|4,4-Bipyridin|4,4-Bipyridyl|4,4-Dipyridyl|4,4'-bipiridilo|4,4'-BIPYRIDYL|4,4'-Bipyridyle|4,4'-bpy|4,4'-Dipyridine|4,4'-Dipyridyl|4,4'-Dipyridyl hydrate|5-23-08-00028|BIPYRIDINE(4,4')|BRN 0113176|EINECS 209-036-3|gamma,gamma'-bipyridyl|gamma,gamma'-dipyridyl|NSC 404423|UNII-X4O2OD61CB|g,g'-Bipyridyl|g,g'-Dipyridyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027200
ARPathway2016 ARPathway2016_1318 4,4'-Bipyridine 553-26-4 DTXSID2027200 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1=CC(=CC=N1)C1=CC=NC=C1 4,4'-Bipyridine 553-26-4|4,4'-Bipyridine|4-(4-Pyridyl)pyridine|4,4-Bipyridin|4,4-Bipyridyl|4,4-Dipyridyl|4,4'-bipiridilo|4,4'-BIPYRIDYL|4,4'-Bipyridyle|4,4'-bpy|4,4'-Dipyridine|4,4'-Dipyridyl|4,4'-Dipyridyl hydrate|5-23-08-00028|BIPYRIDINE(4,4')|BRN 0113176|EINECS 209-036-3|gamma,gamma'-bipyridyl|gamma,gamma'-dipyridyl|NSC 404423|UNII-X4O2OD61CB|g,g'-Bipyridyl|g,g'-Dipyridyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027200
ERPathway2016 ERPathway2016_1532 4,4'-Bipyridine 553-26-4 DTXSID2027200 ER Pathway Model, Agonist Model Score 0 Unitless C1=CC(=CC=N1)C1=CC=NC=C1 4,4'-Bipyridine 553-26-4|4,4'-Bipyridine|4-(4-Pyridyl)pyridine|4,4-Bipyridin|4,4-Bipyridyl|4,4-Dipyridyl|4,4'-bipiridilo|4,4'-BIPYRIDYL|4,4'-Bipyridyle|4,4'-bpy|4,4'-Dipyridine|4,4'-Dipyridyl|4,4'-Dipyridyl hydrate|5-23-08-00028|BIPYRIDINE(4,4')|BRN 0113176|EINECS 209-036-3|gamma,gamma'-bipyridyl|gamma,gamma'-dipyridyl|NSC 404423|UNII-X4O2OD61CB|g,g'-Bipyridyl|g,g'-Dipyridyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027200
ERPathway2016 ERPathway2016_1532 4,4'-Bipyridine 553-26-4 DTXSID2027200 ER Pathway Model, Antagonist Model Score 0 Unitless C1=CC(=CC=N1)C1=CC=NC=C1 4,4'-Bipyridine 553-26-4|4,4'-Bipyridine|4-(4-Pyridyl)pyridine|4,4-Bipyridin|4,4-Bipyridyl|4,4-Dipyridyl|4,4'-bipiridilo|4,4'-BIPYRIDYL|4,4'-Bipyridyle|4,4'-bpy|4,4'-Dipyridine|4,4'-Dipyridyl|4,4'-Dipyridyl hydrate|5-23-08-00028|BIPYRIDINE(4,4')|BRN 0113176|EINECS 209-036-3|gamma,gamma'-bipyridyl|gamma,gamma'-dipyridyl|NSC 404423|UNII-X4O2OD61CB|g,g'-Bipyridyl|g,g'-Dipyridyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027200
ERPathway2016 ERPathway2016_1532 4,4'-Bipyridine 553-26-4 DTXSID2027200 ER Pathway Model, Agonist Call Inactive Unitless C1=CC(=CC=N1)C1=CC=NC=C1 4,4'-Bipyridine 553-26-4|4,4'-Bipyridine|4-(4-Pyridyl)pyridine|4,4-Bipyridin|4,4-Bipyridyl|4,4-Dipyridyl|4,4'-bipiridilo|4,4'-BIPYRIDYL|4,4'-Bipyridyle|4,4'-bpy|4,4'-Dipyridine|4,4'-Dipyridyl|4,4'-Dipyridyl hydrate|5-23-08-00028|BIPYRIDINE(4,4')|BRN 0113176|EINECS 209-036-3|gamma,gamma'-bipyridyl|gamma,gamma'-dipyridyl|NSC 404423|UNII-X4O2OD61CB|g,g'-Bipyridyl|g,g'-Dipyridyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027200
ERPathway2016 ERPathway2016_1532 4,4'-Bipyridine 553-26-4 DTXSID2027200 ER Pathway Model, Antagonist Call Inactive Unitless C1=CC(=CC=N1)C1=CC=NC=C1 4,4'-Bipyridine 553-26-4|4,4'-Bipyridine|4-(4-Pyridyl)pyridine|4,4-Bipyridin|4,4-Bipyridyl|4,4-Dipyridyl|4,4'-bipiridilo|4,4'-BIPYRIDYL|4,4'-Bipyridyle|4,4'-bpy|4,4'-Dipyridine|4,4'-Dipyridyl|4,4'-Dipyridyl hydrate|5-23-08-00028|BIPYRIDINE(4,4')|BRN 0113176|EINECS 209-036-3|gamma,gamma'-bipyridyl|gamma,gamma'-dipyridyl|NSC 404423|UNII-X4O2OD61CB|g,g'-Bipyridyl|g,g'-Dipyridyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027200
ARPathway2016 ARPathway2016_743 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1 DTXSID0022436 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(CCC(O)=O)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(4-hydroxyphenyl)pentanoic acid|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(p-hydroxyphenyl)pentanoic acid|4,4-Bis(p-hydroxyphenyl)valeric acid|Benzenebutanoic acid, 4-hydroxy-.gamma.-(4-hydroxyphenyl)-.gamma.-methyl-|Benzenebutanoic acid, 4-hydroxy-gamma-(4-hydroxyphenyl)-gamma-methyl-|Diphenolic acid|EINECS 204-763-2|gamma,gamma-Bis(p-hydroxyphenyl)valeric acid|NSC 3371|UNII-2SIZ2CO5L3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022436 https://doi.org/10.22427/NTP-DATA-DTXSID0022436
ARPathway2016 ARPathway2016_743 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1 DTXSID0022436 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(CCC(O)=O)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(4-hydroxyphenyl)pentanoic acid|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(p-hydroxyphenyl)pentanoic acid|4,4-Bis(p-hydroxyphenyl)valeric acid|Benzenebutanoic acid, 4-hydroxy-.gamma.-(4-hydroxyphenyl)-.gamma.-methyl-|Benzenebutanoic acid, 4-hydroxy-gamma-(4-hydroxyphenyl)-gamma-methyl-|Diphenolic acid|EINECS 204-763-2|gamma,gamma-Bis(p-hydroxyphenyl)valeric acid|NSC 3371|UNII-2SIZ2CO5L3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022436 https://doi.org/10.22427/NTP-DATA-DTXSID0022436
ARPathway2016 ARPathway2016_743 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1 DTXSID0022436 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(CCC(O)=O)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(4-hydroxyphenyl)pentanoic acid|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(p-hydroxyphenyl)pentanoic acid|4,4-Bis(p-hydroxyphenyl)valeric acid|Benzenebutanoic acid, 4-hydroxy-.gamma.-(4-hydroxyphenyl)-.gamma.-methyl-|Benzenebutanoic acid, 4-hydroxy-gamma-(4-hydroxyphenyl)-gamma-methyl-|Diphenolic acid|EINECS 204-763-2|gamma,gamma-Bis(p-hydroxyphenyl)valeric acid|NSC 3371|UNII-2SIZ2CO5L3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022436 https://doi.org/10.22427/NTP-DATA-DTXSID0022436
ARPathway2016 ARPathway2016_743 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1 DTXSID0022436 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(CCC(O)=O)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(4-hydroxyphenyl)pentanoic acid|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(p-hydroxyphenyl)pentanoic acid|4,4-Bis(p-hydroxyphenyl)valeric acid|Benzenebutanoic acid, 4-hydroxy-.gamma.-(4-hydroxyphenyl)-.gamma.-methyl-|Benzenebutanoic acid, 4-hydroxy-gamma-(4-hydroxyphenyl)-gamma-methyl-|Diphenolic acid|EINECS 204-763-2|gamma,gamma-Bis(p-hydroxyphenyl)valeric acid|NSC 3371|UNII-2SIZ2CO5L3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022436 https://doi.org/10.22427/NTP-DATA-DTXSID0022436
ERPathway2016 ERPathway2016_207 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1 DTXSID0022436 Agonist ER Pathway Model, Antagonist AC50 41.9411172933328 uM CC(CCC(O)=O)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(4-hydroxyphenyl)pentanoic acid|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(p-hydroxyphenyl)pentanoic acid|4,4-Bis(p-hydroxyphenyl)valeric acid|Benzenebutanoic acid, 4-hydroxy-.gamma.-(4-hydroxyphenyl)-.gamma.-methyl-|Benzenebutanoic acid, 4-hydroxy-gamma-(4-hydroxyphenyl)-gamma-methyl-|Diphenolic acid|EINECS 204-763-2|gamma,gamma-Bis(p-hydroxyphenyl)valeric acid|NSC 3371|UNII-2SIZ2CO5L3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022436 https://doi.org/10.22427/NTP-DATA-DTXSID0022436
ERPathway2016 ERPathway2016_207 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1 DTXSID0022436 Agonist ER Pathway Model, Antagonist ACC 18.961313331151 uM CC(CCC(O)=O)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(4-hydroxyphenyl)pentanoic acid|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(p-hydroxyphenyl)pentanoic acid|4,4-Bis(p-hydroxyphenyl)valeric acid|Benzenebutanoic acid, 4-hydroxy-.gamma.-(4-hydroxyphenyl)-.gamma.-methyl-|Benzenebutanoic acid, 4-hydroxy-gamma-(4-hydroxyphenyl)-gamma-methyl-|Diphenolic acid|EINECS 204-763-2|gamma,gamma-Bis(p-hydroxyphenyl)valeric acid|NSC 3371|UNII-2SIZ2CO5L3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022436 https://doi.org/10.22427/NTP-DATA-DTXSID0022436
ERPathway2016 ERPathway2016_207 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1 DTXSID0022436 Agonist ER Pathway Model, Agonist Model Score 0.174 Unitless CC(CCC(O)=O)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(4-hydroxyphenyl)pentanoic acid|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(p-hydroxyphenyl)pentanoic acid|4,4-Bis(p-hydroxyphenyl)valeric acid|Benzenebutanoic acid, 4-hydroxy-.gamma.-(4-hydroxyphenyl)-.gamma.-methyl-|Benzenebutanoic acid, 4-hydroxy-gamma-(4-hydroxyphenyl)-gamma-methyl-|Diphenolic acid|EINECS 204-763-2|gamma,gamma-Bis(p-hydroxyphenyl)valeric acid|NSC 3371|UNII-2SIZ2CO5L3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022436 https://doi.org/10.22427/NTP-DATA-DTXSID0022436
ERPathway2016 ERPathway2016_207 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1 DTXSID0022436 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC(CCC(O)=O)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(4-hydroxyphenyl)pentanoic acid|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(p-hydroxyphenyl)pentanoic acid|4,4-Bis(p-hydroxyphenyl)valeric acid|Benzenebutanoic acid, 4-hydroxy-.gamma.-(4-hydroxyphenyl)-.gamma.-methyl-|Benzenebutanoic acid, 4-hydroxy-gamma-(4-hydroxyphenyl)-gamma-methyl-|Diphenolic acid|EINECS 204-763-2|gamma,gamma-Bis(p-hydroxyphenyl)valeric acid|NSC 3371|UNII-2SIZ2CO5L3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022436 https://doi.org/10.22427/NTP-DATA-DTXSID0022436
ERPathway2016 ERPathway2016_207 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1 DTXSID0022436 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC(CCC(O)=O)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(4-hydroxyphenyl)pentanoic acid|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(p-hydroxyphenyl)pentanoic acid|4,4-Bis(p-hydroxyphenyl)valeric acid|Benzenebutanoic acid, 4-hydroxy-.gamma.-(4-hydroxyphenyl)-.gamma.-methyl-|Benzenebutanoic acid, 4-hydroxy-gamma-(4-hydroxyphenyl)-gamma-methyl-|Diphenolic acid|EINECS 204-763-2|gamma,gamma-Bis(p-hydroxyphenyl)valeric acid|NSC 3371|UNII-2SIZ2CO5L3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022436 https://doi.org/10.22427/NTP-DATA-DTXSID0022436
ERPathway2016 ERPathway2016_207 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1 DTXSID0022436 Agonist ER Pathway Model, Antagonist Call Active Unitless CC(CCC(O)=O)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 4,4-Bis(4-hydroxyphenyl)valeric acid 126-00-1|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(4-hydroxyphenyl)pentanoic acid|4,4-Bis(4-hydroxyphenyl)valeric acid|4,4-Bis(p-hydroxyphenyl)pentanoic acid|4,4-Bis(p-hydroxyphenyl)valeric acid|Benzenebutanoic acid, 4-hydroxy-.gamma.-(4-hydroxyphenyl)-.gamma.-methyl-|Benzenebutanoic acid, 4-hydroxy-gamma-(4-hydroxyphenyl)-gamma-methyl-|Diphenolic acid|EINECS 204-763-2|gamma,gamma-Bis(p-hydroxyphenyl)valeric acid|NSC 3371|UNII-2SIZ2CO5L3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022436 https://doi.org/10.22427/NTP-DATA-DTXSID0022436
ARPathway2016 ARPathway2016_1720 4,4'-Diamino-1,1'-biphenyl 92-87-5 DTXSID2020137 1.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(C=C1)C1=CC=C(N)C=C1 4,4'-Diamino-1,1'-biphenyl 92-87-5|4,4'-Diamino-1,1'-biphenyl|(1,1'-Biphenyl)-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|202-199-1|4-(4-Aminophenyl)aniline|4-13-00-00364|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-biphenylenediamine|4,4'-Diamino-1,1'-biphenyl|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-Diaminobenzidine|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|bencidina|Benzidin|Benzidina|benzidine|Benzidine base|Benzioine|Benzydyna|Biphenyl, 4,4'-diamino-|BRN 0742770|C.I. Azoic Diazo Component 112|CI Azoic diazo component 112|EC No.: 202-199-1|EINECS 202-199-1|Fast Corinth Base B|NCI-C03361|NSC 146476|p-Benzidine|p-Diaminodiphenyl|p,p-Bianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|p,p'-diaminodiphenyl|p,p'-Dianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|RCRA waste number U021|UN 1885|UNII-2X02101HVF|46310-07-0|56481-94-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020137 https://doi.org/10.22427/NTP-DATA-DTXSID2020137
ARPathway2016 ARPathway2016_1720 4,4'-Diamino-1,1'-biphenyl 92-87-5 DTXSID2020137 1.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=CC=C(C=C1)C1=CC=C(N)C=C1 4,4'-Diamino-1,1'-biphenyl 92-87-5|4,4'-Diamino-1,1'-biphenyl|(1,1'-Biphenyl)-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|202-199-1|4-(4-Aminophenyl)aniline|4-13-00-00364|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-biphenylenediamine|4,4'-Diamino-1,1'-biphenyl|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-Diaminobenzidine|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|bencidina|Benzidin|Benzidina|benzidine|Benzidine base|Benzioine|Benzydyna|Biphenyl, 4,4'-diamino-|BRN 0742770|C.I. Azoic Diazo Component 112|CI Azoic diazo component 112|EC No.: 202-199-1|EINECS 202-199-1|Fast Corinth Base B|NCI-C03361|NSC 146476|p-Benzidine|p-Diaminodiphenyl|p,p-Bianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|p,p'-diaminodiphenyl|p,p'-Dianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|RCRA waste number U021|UN 1885|UNII-2X02101HVF|46310-07-0|56481-94-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020137 https://doi.org/10.22427/NTP-DATA-DTXSID2020137
ARPathway2016 ARPathway2016_1720 4,4'-Diamino-1,1'-biphenyl 92-87-5 DTXSID2020137 1.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(C=C1)C1=CC=C(N)C=C1 4,4'-Diamino-1,1'-biphenyl 92-87-5|4,4'-Diamino-1,1'-biphenyl|(1,1'-Biphenyl)-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|202-199-1|4-(4-Aminophenyl)aniline|4-13-00-00364|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-biphenylenediamine|4,4'-Diamino-1,1'-biphenyl|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-Diaminobenzidine|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|bencidina|Benzidin|Benzidina|benzidine|Benzidine base|Benzioine|Benzydyna|Biphenyl, 4,4'-diamino-|BRN 0742770|C.I. Azoic Diazo Component 112|CI Azoic diazo component 112|EC No.: 202-199-1|EINECS 202-199-1|Fast Corinth Base B|NCI-C03361|NSC 146476|p-Benzidine|p-Diaminodiphenyl|p,p-Bianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|p,p'-diaminodiphenyl|p,p'-Dianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|RCRA waste number U021|UN 1885|UNII-2X02101HVF|46310-07-0|56481-94-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020137 https://doi.org/10.22427/NTP-DATA-DTXSID2020137
ARPathway2016 ARPathway2016_1720 4,4'-Diamino-1,1'-biphenyl 92-87-5 DTXSID2020137 1.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC=C(C=C1)C1=CC=C(N)C=C1 4,4'-Diamino-1,1'-biphenyl 92-87-5|4,4'-Diamino-1,1'-biphenyl|(1,1'-Biphenyl)-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|202-199-1|4-(4-Aminophenyl)aniline|4-13-00-00364|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-biphenylenediamine|4,4'-Diamino-1,1'-biphenyl|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-Diaminobenzidine|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|bencidina|Benzidin|Benzidina|benzidine|Benzidine base|Benzioine|Benzydyna|Biphenyl, 4,4'-diamino-|BRN 0742770|C.I. Azoic Diazo Component 112|CI Azoic diazo component 112|EC No.: 202-199-1|EINECS 202-199-1|Fast Corinth Base B|NCI-C03361|NSC 146476|p-Benzidine|p-Diaminodiphenyl|p,p-Bianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|p,p'-diaminodiphenyl|p,p'-Dianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|RCRA waste number U021|UN 1885|UNII-2X02101HVF|46310-07-0|56481-94-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020137 https://doi.org/10.22427/NTP-DATA-DTXSID2020137
ERPathway2016 ERPathway2016_348 4,4'-Diamino-1,1'-biphenyl 92-87-5 DTXSID2020137 ER Pathway Model, Antagonist AC50 44.6649629245292 uM NC1=CC=C(C=C1)C1=CC=C(N)C=C1 4,4'-Diamino-1,1'-biphenyl 92-87-5|4,4'-Diamino-1,1'-biphenyl|(1,1'-Biphenyl)-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|202-199-1|4-(4-Aminophenyl)aniline|4-13-00-00364|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-biphenylenediamine|4,4'-Diamino-1,1'-biphenyl|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-Diaminobenzidine|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|bencidina|Benzidin|Benzidina|benzidine|Benzidine base|Benzioine|Benzydyna|Biphenyl, 4,4'-diamino-|BRN 0742770|C.I. Azoic Diazo Component 112|CI Azoic diazo component 112|EC No.: 202-199-1|EINECS 202-199-1|Fast Corinth Base B|NCI-C03361|NSC 146476|p-Benzidine|p-Diaminodiphenyl|p,p-Bianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|p,p'-diaminodiphenyl|p,p'-Dianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|RCRA waste number U021|UN 1885|UNII-2X02101HVF|46310-07-0|56481-94-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020137 https://doi.org/10.22427/NTP-DATA-DTXSID2020137
ERPathway2016 ERPathway2016_348 4,4'-Diamino-1,1'-biphenyl 92-87-5 DTXSID2020137 ER Pathway Model, Antagonist ACC 22.1190449838824 uM NC1=CC=C(C=C1)C1=CC=C(N)C=C1 4,4'-Diamino-1,1'-biphenyl 92-87-5|4,4'-Diamino-1,1'-biphenyl|(1,1'-Biphenyl)-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|202-199-1|4-(4-Aminophenyl)aniline|4-13-00-00364|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-biphenylenediamine|4,4'-Diamino-1,1'-biphenyl|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-Diaminobenzidine|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|bencidina|Benzidin|Benzidina|benzidine|Benzidine base|Benzioine|Benzydyna|Biphenyl, 4,4'-diamino-|BRN 0742770|C.I. Azoic Diazo Component 112|CI Azoic diazo component 112|EC No.: 202-199-1|EINECS 202-199-1|Fast Corinth Base B|NCI-C03361|NSC 146476|p-Benzidine|p-Diaminodiphenyl|p,p-Bianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|p,p'-diaminodiphenyl|p,p'-Dianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|RCRA waste number U021|UN 1885|UNII-2X02101HVF|46310-07-0|56481-94-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020137 https://doi.org/10.22427/NTP-DATA-DTXSID2020137
ERPathway2016 ERPathway2016_348 4,4'-Diamino-1,1'-biphenyl 92-87-5 DTXSID2020137 ER Pathway Model, Agonist Model Score 0.0183 Unitless NC1=CC=C(C=C1)C1=CC=C(N)C=C1 4,4'-Diamino-1,1'-biphenyl 92-87-5|4,4'-Diamino-1,1'-biphenyl|(1,1'-Biphenyl)-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|202-199-1|4-(4-Aminophenyl)aniline|4-13-00-00364|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-biphenylenediamine|4,4'-Diamino-1,1'-biphenyl|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-Diaminobenzidine|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|bencidina|Benzidin|Benzidina|benzidine|Benzidine base|Benzioine|Benzydyna|Biphenyl, 4,4'-diamino-|BRN 0742770|C.I. Azoic Diazo Component 112|CI Azoic diazo component 112|EC No.: 202-199-1|EINECS 202-199-1|Fast Corinth Base B|NCI-C03361|NSC 146476|p-Benzidine|p-Diaminodiphenyl|p,p-Bianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|p,p'-diaminodiphenyl|p,p'-Dianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|RCRA waste number U021|UN 1885|UNII-2X02101HVF|46310-07-0|56481-94-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020137 https://doi.org/10.22427/NTP-DATA-DTXSID2020137
ERPathway2016 ERPathway2016_348 4,4'-Diamino-1,1'-biphenyl 92-87-5 DTXSID2020137 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(C=C1)C1=CC=C(N)C=C1 4,4'-Diamino-1,1'-biphenyl 92-87-5|4,4'-Diamino-1,1'-biphenyl|(1,1'-Biphenyl)-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|202-199-1|4-(4-Aminophenyl)aniline|4-13-00-00364|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-biphenylenediamine|4,4'-Diamino-1,1'-biphenyl|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-Diaminobenzidine|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|bencidina|Benzidin|Benzidina|benzidine|Benzidine base|Benzioine|Benzydyna|Biphenyl, 4,4'-diamino-|BRN 0742770|C.I. Azoic Diazo Component 112|CI Azoic diazo component 112|EC No.: 202-199-1|EINECS 202-199-1|Fast Corinth Base B|NCI-C03361|NSC 146476|p-Benzidine|p-Diaminodiphenyl|p,p-Bianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|p,p'-diaminodiphenyl|p,p'-Dianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|RCRA waste number U021|UN 1885|UNII-2X02101HVF|46310-07-0|56481-94-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020137 https://doi.org/10.22427/NTP-DATA-DTXSID2020137
ERPathway2016 ERPathway2016_348 4,4'-Diamino-1,1'-biphenyl 92-87-5 DTXSID2020137 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(C=C1)C1=CC=C(N)C=C1 4,4'-Diamino-1,1'-biphenyl 92-87-5|4,4'-Diamino-1,1'-biphenyl|(1,1'-Biphenyl)-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|202-199-1|4-(4-Aminophenyl)aniline|4-13-00-00364|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-biphenylenediamine|4,4'-Diamino-1,1'-biphenyl|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-Diaminobenzidine|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|bencidina|Benzidin|Benzidina|benzidine|Benzidine base|Benzioine|Benzydyna|Biphenyl, 4,4'-diamino-|BRN 0742770|C.I. Azoic Diazo Component 112|CI Azoic diazo component 112|EC No.: 202-199-1|EINECS 202-199-1|Fast Corinth Base B|NCI-C03361|NSC 146476|p-Benzidine|p-Diaminodiphenyl|p,p-Bianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|p,p'-diaminodiphenyl|p,p'-Dianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|RCRA waste number U021|UN 1885|UNII-2X02101HVF|46310-07-0|56481-94-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020137 https://doi.org/10.22427/NTP-DATA-DTXSID2020137
ERPathway2016 ERPathway2016_348 4,4'-Diamino-1,1'-biphenyl 92-87-5 DTXSID2020137 ER Pathway Model, Antagonist Call Active Unitless NC1=CC=C(C=C1)C1=CC=C(N)C=C1 4,4'-Diamino-1,1'-biphenyl 92-87-5|4,4'-Diamino-1,1'-biphenyl|(1,1'-Biphenyl)-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|[1,1'-Biphenyl]-4,4'-diamine|202-199-1|4-(4-Aminophenyl)aniline|4-13-00-00364|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-biphenylenediamine|4,4'-Diamino-1,1'-biphenyl|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4,4'-Bianiline|4,4'-Biphenyldiamine|4,4'-Diaminobenzidine|4,4'-Diaminobiphenyl|4,4'-Diaminodiphenyl|4,4'-Diphenylenediamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|4'-Amino-[1,1'-biphenyl]-4-ylamine|bencidina|Benzidin|Benzidina|benzidine|Benzidine base|Benzioine|Benzydyna|Biphenyl, 4,4'-diamino-|BRN 0742770|C.I. Azoic Diazo Component 112|CI Azoic diazo component 112|EC No.: 202-199-1|EINECS 202-199-1|Fast Corinth Base B|NCI-C03361|NSC 146476|p-Benzidine|p-Diaminodiphenyl|p,p-Bianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|p,p'-diaminodiphenyl|p,p'-Dianiline|p,p'-Bianiline|p,p'-Diaminobiphenyl|RCRA waste number U021|UN 1885|UNII-2X02101HVF|46310-07-0|56481-94-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020137 https://doi.org/10.22427/NTP-DATA-DTXSID2020137
ARPathway2016 ARPathway2016_416 4,4'-Diaminobiphenyl methane 101-77-9 DTXSID6022422 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(CC2=CC=C(N)C=C2)C=C1 4,4'-Diaminobiphenyl methane 101-77-9|4,4'-Diaminobiphenyl methane|4-(4-Aminobenzyl)aniline|4-(4-Aminobenzyl)benzenamine|4-(p-Aminobenzyl)aniline|4,4-Diaminodiphenylmethane|4,4, diaminodiphenyl methane|4,4'-Diaminodiphenylenemethane|4,4'-DIAMINODIPHENYLMETHAN|4,4'-Diaminodiphenylmethane|4,4'-Dimethylenediamine|4,4'-Diphenylmethanediamine|4,4'-Methylendianilin|4,4'-METHYLENEBIS-BENZENAMINE|4,4'-Methylenebis(aniline)|4,4'-Methylenebis(benzenamine)|4,4'-Methylenebis(benzeneamine)|4,4'-Methylenebisaniline|4,4'-Methylenedianiline|4,4'-Methylenedibenzenamine|4,4'-metilendianilina|Acmex H 84BM|alpha-(p-aminophenyl)-p-toluidine|Ancamine 1692|Ancamine TL|Aniline, 4,4'-methylenedi-|Aniline, p,p'-methylenebis-|Araldite Hardener 972|Araldite Hardener HT 972|Araldite HT 972|Araldite HY 972|Araldite R 972|Avaldite HT 972|Benzenamine, 4,4'-methylenebis-|Bis-p-aminofenylmethan|bis-p-aminophenylmethane|Bis(4-aminophenyl)methane|Bis(aminophenyl)methane|Bis(p-aminophenyl)methane|BISANILINE, 4,4'-METHYLENE-|BRN 0474706|Curithane|DAM|DDM|DEH 50|Di-(4-aminophenyl)methane|di-(p-aminophenyl)methane|120859-32-7|136601-30-4|148263-71-2|28602-61-1|83712-44-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022422 https://doi.org/10.22427/NTP-DATA-DTXSID6022422
ARPathway2016 ARPathway2016_416 4,4'-Diaminobiphenyl methane 101-77-9 DTXSID6022422 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=CC=C(CC2=CC=C(N)C=C2)C=C1 4,4'-Diaminobiphenyl methane 101-77-9|4,4'-Diaminobiphenyl methane|4-(4-Aminobenzyl)aniline|4-(4-Aminobenzyl)benzenamine|4-(p-Aminobenzyl)aniline|4,4-Diaminodiphenylmethane|4,4, diaminodiphenyl methane|4,4'-Diaminodiphenylenemethane|4,4'-DIAMINODIPHENYLMETHAN|4,4'-Diaminodiphenylmethane|4,4'-Dimethylenediamine|4,4'-Diphenylmethanediamine|4,4'-Methylendianilin|4,4'-METHYLENEBIS-BENZENAMINE|4,4'-Methylenebis(aniline)|4,4'-Methylenebis(benzenamine)|4,4'-Methylenebis(benzeneamine)|4,4'-Methylenebisaniline|4,4'-Methylenedianiline|4,4'-Methylenedibenzenamine|4,4'-metilendianilina|Acmex H 84BM|alpha-(p-aminophenyl)-p-toluidine|Ancamine 1692|Ancamine TL|Aniline, 4,4'-methylenedi-|Aniline, p,p'-methylenebis-|Araldite Hardener 972|Araldite Hardener HT 972|Araldite HT 972|Araldite HY 972|Araldite R 972|Avaldite HT 972|Benzenamine, 4,4'-methylenebis-|Bis-p-aminofenylmethan|bis-p-aminophenylmethane|Bis(4-aminophenyl)methane|Bis(aminophenyl)methane|Bis(p-aminophenyl)methane|BISANILINE, 4,4'-METHYLENE-|BRN 0474706|Curithane|DAM|DDM|DEH 50|Di-(4-aminophenyl)methane|di-(p-aminophenyl)methane|120859-32-7|136601-30-4|148263-71-2|28602-61-1|83712-44-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022422 https://doi.org/10.22427/NTP-DATA-DTXSID6022422
ARPathway2016 ARPathway2016_416 4,4'-Diaminobiphenyl methane 101-77-9 DTXSID6022422 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC=C(CC2=CC=C(N)C=C2)C=C1 4,4'-Diaminobiphenyl methane 101-77-9|4,4'-Diaminobiphenyl methane|4-(4-Aminobenzyl)aniline|4-(4-Aminobenzyl)benzenamine|4-(p-Aminobenzyl)aniline|4,4-Diaminodiphenylmethane|4,4, diaminodiphenyl methane|4,4'-Diaminodiphenylenemethane|4,4'-DIAMINODIPHENYLMETHAN|4,4'-Diaminodiphenylmethane|4,4'-Dimethylenediamine|4,4'-Diphenylmethanediamine|4,4'-Methylendianilin|4,4'-METHYLENEBIS-BENZENAMINE|4,4'-Methylenebis(aniline)|4,4'-Methylenebis(benzenamine)|4,4'-Methylenebis(benzeneamine)|4,4'-Methylenebisaniline|4,4'-Methylenedianiline|4,4'-Methylenedibenzenamine|4,4'-metilendianilina|Acmex H 84BM|alpha-(p-aminophenyl)-p-toluidine|Ancamine 1692|Ancamine TL|Aniline, 4,4'-methylenedi-|Aniline, p,p'-methylenebis-|Araldite Hardener 972|Araldite Hardener HT 972|Araldite HT 972|Araldite HY 972|Araldite R 972|Avaldite HT 972|Benzenamine, 4,4'-methylenebis-|Bis-p-aminofenylmethan|bis-p-aminophenylmethane|Bis(4-aminophenyl)methane|Bis(aminophenyl)methane|Bis(p-aminophenyl)methane|BISANILINE, 4,4'-METHYLENE-|BRN 0474706|Curithane|DAM|DDM|DEH 50|Di-(4-aminophenyl)methane|di-(p-aminophenyl)methane|120859-32-7|136601-30-4|148263-71-2|28602-61-1|83712-44-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022422 https://doi.org/10.22427/NTP-DATA-DTXSID6022422
ARPathway2016 ARPathway2016_416 4,4'-Diaminobiphenyl methane 101-77-9 DTXSID6022422 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(CC2=CC=C(N)C=C2)C=C1 4,4'-Diaminobiphenyl methane 101-77-9|4,4'-Diaminobiphenyl methane|4-(4-Aminobenzyl)aniline|4-(4-Aminobenzyl)benzenamine|4-(p-Aminobenzyl)aniline|4,4-Diaminodiphenylmethane|4,4, diaminodiphenyl methane|4,4'-Diaminodiphenylenemethane|4,4'-DIAMINODIPHENYLMETHAN|4,4'-Diaminodiphenylmethane|4,4'-Dimethylenediamine|4,4'-Diphenylmethanediamine|4,4'-Methylendianilin|4,4'-METHYLENEBIS-BENZENAMINE|4,4'-Methylenebis(aniline)|4,4'-Methylenebis(benzenamine)|4,4'-Methylenebis(benzeneamine)|4,4'-Methylenebisaniline|4,4'-Methylenedianiline|4,4'-Methylenedibenzenamine|4,4'-metilendianilina|Acmex H 84BM|alpha-(p-aminophenyl)-p-toluidine|Ancamine 1692|Ancamine TL|Aniline, 4,4'-methylenedi-|Aniline, p,p'-methylenebis-|Araldite Hardener 972|Araldite Hardener HT 972|Araldite HT 972|Araldite HY 972|Araldite R 972|Avaldite HT 972|Benzenamine, 4,4'-methylenebis-|Bis-p-aminofenylmethan|bis-p-aminophenylmethane|Bis(4-aminophenyl)methane|Bis(aminophenyl)methane|Bis(p-aminophenyl)methane|BISANILINE, 4,4'-METHYLENE-|BRN 0474706|Curithane|DAM|DDM|DEH 50|Di-(4-aminophenyl)methane|di-(p-aminophenyl)methane|120859-32-7|136601-30-4|148263-71-2|28602-61-1|83712-44-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022422 https://doi.org/10.22427/NTP-DATA-DTXSID6022422
ERPathway2016 ERPathway2016_406 4,4'-Diaminobiphenyl methane 101-77-9 DTXSID6022422 ER Pathway Model, Antagonist AC50 66.2242453840069 uM NC1=CC=C(CC2=CC=C(N)C=C2)C=C1 4,4'-Diaminobiphenyl methane 101-77-9|4,4'-Diaminobiphenyl methane|4-(4-Aminobenzyl)aniline|4-(4-Aminobenzyl)benzenamine|4-(p-Aminobenzyl)aniline|4,4-Diaminodiphenylmethane|4,4, diaminodiphenyl methane|4,4'-Diaminodiphenylenemethane|4,4'-DIAMINODIPHENYLMETHAN|4,4'-Diaminodiphenylmethane|4,4'-Dimethylenediamine|4,4'-Diphenylmethanediamine|4,4'-Methylendianilin|4,4'-METHYLENEBIS-BENZENAMINE|4,4'-Methylenebis(aniline)|4,4'-Methylenebis(benzenamine)|4,4'-Methylenebis(benzeneamine)|4,4'-Methylenebisaniline|4,4'-Methylenedianiline|4,4'-Methylenedibenzenamine|4,4'-metilendianilina|Acmex H 84BM|alpha-(p-aminophenyl)-p-toluidine|Ancamine 1692|Ancamine TL|Aniline, 4,4'-methylenedi-|Aniline, p,p'-methylenebis-|Araldite Hardener 972|Araldite Hardener HT 972|Araldite HT 972|Araldite HY 972|Araldite R 972|Avaldite HT 972|Benzenamine, 4,4'-methylenebis-|Bis-p-aminofenylmethan|bis-p-aminophenylmethane|Bis(4-aminophenyl)methane|Bis(aminophenyl)methane|Bis(p-aminophenyl)methane|BISANILINE, 4,4'-METHYLENE-|BRN 0474706|Curithane|DAM|DDM|DEH 50|Di-(4-aminophenyl)methane|di-(p-aminophenyl)methane|120859-32-7|136601-30-4|148263-71-2|28602-61-1|83712-44-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022422 https://doi.org/10.22427/NTP-DATA-DTXSID6022422
ERPathway2016 ERPathway2016_406 4,4'-Diaminobiphenyl methane 101-77-9 DTXSID6022422 ER Pathway Model, Antagonist ACC 36.4163629332089 uM NC1=CC=C(CC2=CC=C(N)C=C2)C=C1 4,4'-Diaminobiphenyl methane 101-77-9|4,4'-Diaminobiphenyl methane|4-(4-Aminobenzyl)aniline|4-(4-Aminobenzyl)benzenamine|4-(p-Aminobenzyl)aniline|4,4-Diaminodiphenylmethane|4,4, diaminodiphenyl methane|4,4'-Diaminodiphenylenemethane|4,4'-DIAMINODIPHENYLMETHAN|4,4'-Diaminodiphenylmethane|4,4'-Dimethylenediamine|4,4'-Diphenylmethanediamine|4,4'-Methylendianilin|4,4'-METHYLENEBIS-BENZENAMINE|4,4'-Methylenebis(aniline)|4,4'-Methylenebis(benzenamine)|4,4'-Methylenebis(benzeneamine)|4,4'-Methylenebisaniline|4,4'-Methylenedianiline|4,4'-Methylenedibenzenamine|4,4'-metilendianilina|Acmex H 84BM|alpha-(p-aminophenyl)-p-toluidine|Ancamine 1692|Ancamine TL|Aniline, 4,4'-methylenedi-|Aniline, p,p'-methylenebis-|Araldite Hardener 972|Araldite Hardener HT 972|Araldite HT 972|Araldite HY 972|Araldite R 972|Avaldite HT 972|Benzenamine, 4,4'-methylenebis-|Bis-p-aminofenylmethan|bis-p-aminophenylmethane|Bis(4-aminophenyl)methane|Bis(aminophenyl)methane|Bis(p-aminophenyl)methane|BISANILINE, 4,4'-METHYLENE-|BRN 0474706|Curithane|DAM|DDM|DEH 50|Di-(4-aminophenyl)methane|di-(p-aminophenyl)methane|120859-32-7|136601-30-4|148263-71-2|28602-61-1|83712-44-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022422 https://doi.org/10.22427/NTP-DATA-DTXSID6022422
ERPathway2016 ERPathway2016_406 4,4'-Diaminobiphenyl methane 101-77-9 DTXSID6022422 ER Pathway Model, Agonist Model Score 0.00885 Unitless NC1=CC=C(CC2=CC=C(N)C=C2)C=C1 4,4'-Diaminobiphenyl methane 101-77-9|4,4'-Diaminobiphenyl methane|4-(4-Aminobenzyl)aniline|4-(4-Aminobenzyl)benzenamine|4-(p-Aminobenzyl)aniline|4,4-Diaminodiphenylmethane|4,4, diaminodiphenyl methane|4,4'-Diaminodiphenylenemethane|4,4'-DIAMINODIPHENYLMETHAN|4,4'-Diaminodiphenylmethane|4,4'-Dimethylenediamine|4,4'-Diphenylmethanediamine|4,4'-Methylendianilin|4,4'-METHYLENEBIS-BENZENAMINE|4,4'-Methylenebis(aniline)|4,4'-Methylenebis(benzenamine)|4,4'-Methylenebis(benzeneamine)|4,4'-Methylenebisaniline|4,4'-Methylenedianiline|4,4'-Methylenedibenzenamine|4,4'-metilendianilina|Acmex H 84BM|alpha-(p-aminophenyl)-p-toluidine|Ancamine 1692|Ancamine TL|Aniline, 4,4'-methylenedi-|Aniline, p,p'-methylenebis-|Araldite Hardener 972|Araldite Hardener HT 972|Araldite HT 972|Araldite HY 972|Araldite R 972|Avaldite HT 972|Benzenamine, 4,4'-methylenebis-|Bis-p-aminofenylmethan|bis-p-aminophenylmethane|Bis(4-aminophenyl)methane|Bis(aminophenyl)methane|Bis(p-aminophenyl)methane|BISANILINE, 4,4'-METHYLENE-|BRN 0474706|Curithane|DAM|DDM|DEH 50|Di-(4-aminophenyl)methane|di-(p-aminophenyl)methane|120859-32-7|136601-30-4|148263-71-2|28602-61-1|83712-44-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022422 https://doi.org/10.22427/NTP-DATA-DTXSID6022422
ERPathway2016 ERPathway2016_406 4,4'-Diaminobiphenyl methane 101-77-9 DTXSID6022422 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(CC2=CC=C(N)C=C2)C=C1 4,4'-Diaminobiphenyl methane 101-77-9|4,4'-Diaminobiphenyl methane|4-(4-Aminobenzyl)aniline|4-(4-Aminobenzyl)benzenamine|4-(p-Aminobenzyl)aniline|4,4-Diaminodiphenylmethane|4,4, diaminodiphenyl methane|4,4'-Diaminodiphenylenemethane|4,4'-DIAMINODIPHENYLMETHAN|4,4'-Diaminodiphenylmethane|4,4'-Dimethylenediamine|4,4'-Diphenylmethanediamine|4,4'-Methylendianilin|4,4'-METHYLENEBIS-BENZENAMINE|4,4'-Methylenebis(aniline)|4,4'-Methylenebis(benzenamine)|4,4'-Methylenebis(benzeneamine)|4,4'-Methylenebisaniline|4,4'-Methylenedianiline|4,4'-Methylenedibenzenamine|4,4'-metilendianilina|Acmex H 84BM|alpha-(p-aminophenyl)-p-toluidine|Ancamine 1692|Ancamine TL|Aniline, 4,4'-methylenedi-|Aniline, p,p'-methylenebis-|Araldite Hardener 972|Araldite Hardener HT 972|Araldite HT 972|Araldite HY 972|Araldite R 972|Avaldite HT 972|Benzenamine, 4,4'-methylenebis-|Bis-p-aminofenylmethan|bis-p-aminophenylmethane|Bis(4-aminophenyl)methane|Bis(aminophenyl)methane|Bis(p-aminophenyl)methane|BISANILINE, 4,4'-METHYLENE-|BRN 0474706|Curithane|DAM|DDM|DEH 50|Di-(4-aminophenyl)methane|di-(p-aminophenyl)methane|120859-32-7|136601-30-4|148263-71-2|28602-61-1|83712-44-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022422 https://doi.org/10.22427/NTP-DATA-DTXSID6022422
ERPathway2016 ERPathway2016_406 4,4'-Diaminobiphenyl methane 101-77-9 DTXSID6022422 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(CC2=CC=C(N)C=C2)C=C1 4,4'-Diaminobiphenyl methane 101-77-9|4,4'-Diaminobiphenyl methane|4-(4-Aminobenzyl)aniline|4-(4-Aminobenzyl)benzenamine|4-(p-Aminobenzyl)aniline|4,4-Diaminodiphenylmethane|4,4, diaminodiphenyl methane|4,4'-Diaminodiphenylenemethane|4,4'-DIAMINODIPHENYLMETHAN|4,4'-Diaminodiphenylmethane|4,4'-Dimethylenediamine|4,4'-Diphenylmethanediamine|4,4'-Methylendianilin|4,4'-METHYLENEBIS-BENZENAMINE|4,4'-Methylenebis(aniline)|4,4'-Methylenebis(benzenamine)|4,4'-Methylenebis(benzeneamine)|4,4'-Methylenebisaniline|4,4'-Methylenedianiline|4,4'-Methylenedibenzenamine|4,4'-metilendianilina|Acmex H 84BM|alpha-(p-aminophenyl)-p-toluidine|Ancamine 1692|Ancamine TL|Aniline, 4,4'-methylenedi-|Aniline, p,p'-methylenebis-|Araldite Hardener 972|Araldite Hardener HT 972|Araldite HT 972|Araldite HY 972|Araldite R 972|Avaldite HT 972|Benzenamine, 4,4'-methylenebis-|Bis-p-aminofenylmethan|bis-p-aminophenylmethane|Bis(4-aminophenyl)methane|Bis(aminophenyl)methane|Bis(p-aminophenyl)methane|BISANILINE, 4,4'-METHYLENE-|BRN 0474706|Curithane|DAM|DDM|DEH 50|Di-(4-aminophenyl)methane|di-(p-aminophenyl)methane|120859-32-7|136601-30-4|148263-71-2|28602-61-1|83712-44-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022422 https://doi.org/10.22427/NTP-DATA-DTXSID6022422
ERPathway2016 ERPathway2016_406 4,4'-Diaminobiphenyl methane 101-77-9 DTXSID6022422 ER Pathway Model, Antagonist Call Active Unitless NC1=CC=C(CC2=CC=C(N)C=C2)C=C1 4,4'-Diaminobiphenyl methane 101-77-9|4,4'-Diaminobiphenyl methane|4-(4-Aminobenzyl)aniline|4-(4-Aminobenzyl)benzenamine|4-(p-Aminobenzyl)aniline|4,4-Diaminodiphenylmethane|4,4, diaminodiphenyl methane|4,4'-Diaminodiphenylenemethane|4,4'-DIAMINODIPHENYLMETHAN|4,4'-Diaminodiphenylmethane|4,4'-Dimethylenediamine|4,4'-Diphenylmethanediamine|4,4'-Methylendianilin|4,4'-METHYLENEBIS-BENZENAMINE|4,4'-Methylenebis(aniline)|4,4'-Methylenebis(benzenamine)|4,4'-Methylenebis(benzeneamine)|4,4'-Methylenebisaniline|4,4'-Methylenedianiline|4,4'-Methylenedibenzenamine|4,4'-metilendianilina|Acmex H 84BM|alpha-(p-aminophenyl)-p-toluidine|Ancamine 1692|Ancamine TL|Aniline, 4,4'-methylenedi-|Aniline, p,p'-methylenebis-|Araldite Hardener 972|Araldite Hardener HT 972|Araldite HT 972|Araldite HY 972|Araldite R 972|Avaldite HT 972|Benzenamine, 4,4'-methylenebis-|Bis-p-aminofenylmethan|bis-p-aminophenylmethane|Bis(4-aminophenyl)methane|Bis(aminophenyl)methane|Bis(p-aminophenyl)methane|BISANILINE, 4,4'-METHYLENE-|BRN 0474706|Curithane|DAM|DDM|DEH 50|Di-(4-aminophenyl)methane|di-(p-aminophenyl)methane|120859-32-7|136601-30-4|148263-71-2|28602-61-1|83712-44-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022422 https://doi.org/10.22427/NTP-DATA-DTXSID6022422
ARPathway2016 ARPathway2016_1598 4,4'-Dichlorodiphenyl sulfone 80-07-9 DTXSID9024986 True antagonist shift (Hit/Hit) 4.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1 4,4'-Dichlorodiphenyl sulfone 80-07-9|4,4'-Dichlorodiphenyl sulfone|1,1'-Sulfonylbis(4-chlorobenzene)|4-Chloro-1-(4-chlorophenylsulfonyl)benzene|4-Chlorophenyl sulfone|4,4'-Dichlorodiphenyl sulphone|4,4'-Dichlorodiphenyl sulfone (p,p'-Dichlorodiphenyl sulfone) (Benzene, 1,1'-sulfonylbis[4-chloro-)|Benzene, 1,1'-sulfonylbis[4-chloro-|Bis(4-chlorophenyl) sulfone|Bis(p-chlorophenyl) sulfone|BRN 2052955|Di-p-chlorophenyl sulfone|EINECS 201-247-9|NSC 23899|p-Chlorophenyl sulfone|p,p'-Dichlorodiphenyl sulfone|UNII-5U49794253|85228-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024986 https://doi.org/10.22427/NTP-DATA-DTXSID9024986
ARPathway2016 ARPathway2016_1598 4,4'-Dichlorodiphenyl sulfone 80-07-9 DTXSID9024986 True antagonist shift (Hit/Hit) 4.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1 4,4'-Dichlorodiphenyl sulfone 80-07-9|4,4'-Dichlorodiphenyl sulfone|1,1'-Sulfonylbis(4-chlorobenzene)|4-Chloro-1-(4-chlorophenylsulfonyl)benzene|4-Chlorophenyl sulfone|4,4'-Dichlorodiphenyl sulphone|4,4'-Dichlorodiphenyl sulfone (p,p'-Dichlorodiphenyl sulfone) (Benzene, 1,1'-sulfonylbis[4-chloro-)|Benzene, 1,1'-sulfonylbis[4-chloro-|Bis(4-chlorophenyl) sulfone|Bis(p-chlorophenyl) sulfone|BRN 2052955|Di-p-chlorophenyl sulfone|EINECS 201-247-9|NSC 23899|p-Chlorophenyl sulfone|p,p'-Dichlorodiphenyl sulfone|UNII-5U49794253|85228-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024986 https://doi.org/10.22427/NTP-DATA-DTXSID9024986
ARPathway2016 ARPathway2016_1598 4,4'-Dichlorodiphenyl sulfone 80-07-9 DTXSID9024986 True antagonist shift (Hit/Hit) 4.0 R5 AR Pathway Model, Agonist Call Inactive Unitless ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1 4,4'-Dichlorodiphenyl sulfone 80-07-9|4,4'-Dichlorodiphenyl sulfone|1,1'-Sulfonylbis(4-chlorobenzene)|4-Chloro-1-(4-chlorophenylsulfonyl)benzene|4-Chlorophenyl sulfone|4,4'-Dichlorodiphenyl sulphone|4,4'-Dichlorodiphenyl sulfone (p,p'-Dichlorodiphenyl sulfone) (Benzene, 1,1'-sulfonylbis[4-chloro-)|Benzene, 1,1'-sulfonylbis[4-chloro-|Bis(4-chlorophenyl) sulfone|Bis(p-chlorophenyl) sulfone|BRN 2052955|Di-p-chlorophenyl sulfone|EINECS 201-247-9|NSC 23899|p-Chlorophenyl sulfone|p,p'-Dichlorodiphenyl sulfone|UNII-5U49794253|85228-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024986 https://doi.org/10.22427/NTP-DATA-DTXSID9024986
ARPathway2016 ARPathway2016_1598 4,4'-Dichlorodiphenyl sulfone 80-07-9 DTXSID9024986 True antagonist shift (Hit/Hit) 4.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1 4,4'-Dichlorodiphenyl sulfone 80-07-9|4,4'-Dichlorodiphenyl sulfone|1,1'-Sulfonylbis(4-chlorobenzene)|4-Chloro-1-(4-chlorophenylsulfonyl)benzene|4-Chlorophenyl sulfone|4,4'-Dichlorodiphenyl sulphone|4,4'-Dichlorodiphenyl sulfone (p,p'-Dichlorodiphenyl sulfone) (Benzene, 1,1'-sulfonylbis[4-chloro-)|Benzene, 1,1'-sulfonylbis[4-chloro-|Bis(4-chlorophenyl) sulfone|Bis(p-chlorophenyl) sulfone|BRN 2052955|Di-p-chlorophenyl sulfone|EINECS 201-247-9|NSC 23899|p-Chlorophenyl sulfone|p,p'-Dichlorodiphenyl sulfone|UNII-5U49794253|85228-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024986 https://doi.org/10.22427/NTP-DATA-DTXSID9024986
ERPathway2016 ERPathway2016_661 4,4'-Dichlorodiphenyl sulfone 80-07-9 DTXSID9024986 A18 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1 4,4'-Dichlorodiphenyl sulfone 80-07-9|4,4'-Dichlorodiphenyl sulfone|1,1'-Sulfonylbis(4-chlorobenzene)|4-Chloro-1-(4-chlorophenylsulfonyl)benzene|4-Chlorophenyl sulfone|4,4'-Dichlorodiphenyl sulphone|4,4'-Dichlorodiphenyl sulfone (p,p'-Dichlorodiphenyl sulfone) (Benzene, 1,1'-sulfonylbis[4-chloro-)|Benzene, 1,1'-sulfonylbis[4-chloro-|Bis(4-chlorophenyl) sulfone|Bis(p-chlorophenyl) sulfone|BRN 2052955|Di-p-chlorophenyl sulfone|EINECS 201-247-9|NSC 23899|p-Chlorophenyl sulfone|p,p'-Dichlorodiphenyl sulfone|UNII-5U49794253|85228-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024986 https://doi.org/10.22427/NTP-DATA-DTXSID9024986
ERPathway2016 ERPathway2016_661 4,4'-Dichlorodiphenyl sulfone 80-07-9 DTXSID9024986 A18 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1 4,4'-Dichlorodiphenyl sulfone 80-07-9|4,4'-Dichlorodiphenyl sulfone|1,1'-Sulfonylbis(4-chlorobenzene)|4-Chloro-1-(4-chlorophenylsulfonyl)benzene|4-Chlorophenyl sulfone|4,4'-Dichlorodiphenyl sulphone|4,4'-Dichlorodiphenyl sulfone (p,p'-Dichlorodiphenyl sulfone) (Benzene, 1,1'-sulfonylbis[4-chloro-)|Benzene, 1,1'-sulfonylbis[4-chloro-|Bis(4-chlorophenyl) sulfone|Bis(p-chlorophenyl) sulfone|BRN 2052955|Di-p-chlorophenyl sulfone|EINECS 201-247-9|NSC 23899|p-Chlorophenyl sulfone|p,p'-Dichlorodiphenyl sulfone|UNII-5U49794253|85228-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024986 https://doi.org/10.22427/NTP-DATA-DTXSID9024986
ERPathway2016 ERPathway2016_661 4,4'-Dichlorodiphenyl sulfone 80-07-9 DTXSID9024986 A18 ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1 4,4'-Dichlorodiphenyl sulfone 80-07-9|4,4'-Dichlorodiphenyl sulfone|1,1'-Sulfonylbis(4-chlorobenzene)|4-Chloro-1-(4-chlorophenylsulfonyl)benzene|4-Chlorophenyl sulfone|4,4'-Dichlorodiphenyl sulphone|4,4'-Dichlorodiphenyl sulfone (p,p'-Dichlorodiphenyl sulfone) (Benzene, 1,1'-sulfonylbis[4-chloro-)|Benzene, 1,1'-sulfonylbis[4-chloro-|Bis(4-chlorophenyl) sulfone|Bis(p-chlorophenyl) sulfone|BRN 2052955|Di-p-chlorophenyl sulfone|EINECS 201-247-9|NSC 23899|p-Chlorophenyl sulfone|p,p'-Dichlorodiphenyl sulfone|UNII-5U49794253|85228-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024986 https://doi.org/10.22427/NTP-DATA-DTXSID9024986
ERPathway2016 ERPathway2016_661 4,4'-Dichlorodiphenyl sulfone 80-07-9 DTXSID9024986 A18 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1 4,4'-Dichlorodiphenyl sulfone 80-07-9|4,4'-Dichlorodiphenyl sulfone|1,1'-Sulfonylbis(4-chlorobenzene)|4-Chloro-1-(4-chlorophenylsulfonyl)benzene|4-Chlorophenyl sulfone|4,4'-Dichlorodiphenyl sulphone|4,4'-Dichlorodiphenyl sulfone (p,p'-Dichlorodiphenyl sulfone) (Benzene, 1,1'-sulfonylbis[4-chloro-)|Benzene, 1,1'-sulfonylbis[4-chloro-|Bis(4-chlorophenyl) sulfone|Bis(p-chlorophenyl) sulfone|BRN 2052955|Di-p-chlorophenyl sulfone|EINECS 201-247-9|NSC 23899|p-Chlorophenyl sulfone|p,p'-Dichlorodiphenyl sulfone|UNII-5U49794253|85228-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024986 https://doi.org/10.22427/NTP-DATA-DTXSID9024986
ARPathway2016 ARPathway2016_913 4,4'-Di-tert-butylbiphenyl 1625-91-8 DTXSID4048193 1.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC=C(C=C1)C1=CC=C(C=C1)C(C)(C)C 4,4'-Di-tert-butylbiphenyl 1625-91-8|4,4'-Di-tert-butylbiphenyl|EINECS 216-615-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048193
ARPathway2016 ARPathway2016_913 4,4'-Di-tert-butylbiphenyl 1625-91-8 DTXSID4048193 1.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC=C(C=C1)C1=CC=C(C=C1)C(C)(C)C 4,4'-Di-tert-butylbiphenyl 1625-91-8|4,4'-Di-tert-butylbiphenyl|EINECS 216-615-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048193
ARPathway2016 ARPathway2016_913 4,4'-Di-tert-butylbiphenyl 1625-91-8 DTXSID4048193 1.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC=C(C=C1)C1=CC=C(C=C1)C(C)(C)C 4,4'-Di-tert-butylbiphenyl 1625-91-8|4,4'-Di-tert-butylbiphenyl|EINECS 216-615-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048193
ARPathway2016 ARPathway2016_913 4,4'-Di-tert-butylbiphenyl 1625-91-8 DTXSID4048193 1.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC=C(C=C1)C1=CC=C(C=C1)C(C)(C)C 4,4'-Di-tert-butylbiphenyl 1625-91-8|4,4'-Di-tert-butylbiphenyl|EINECS 216-615-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048193
ERPathway2016 ERPathway2016_1335 4,4'-Di-tert-butylbiphenyl 1625-91-8 DTXSID4048193 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC=C(C=C1)C1=CC=C(C=C1)C(C)(C)C 4,4'-Di-tert-butylbiphenyl 1625-91-8|4,4'-Di-tert-butylbiphenyl|EINECS 216-615-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048193
ERPathway2016 ERPathway2016_1335 4,4'-Di-tert-butylbiphenyl 1625-91-8 DTXSID4048193 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC=C(C=C1)C1=CC=C(C=C1)C(C)(C)C 4,4'-Di-tert-butylbiphenyl 1625-91-8|4,4'-Di-tert-butylbiphenyl|EINECS 216-615-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048193
ERPathway2016 ERPathway2016_1335 4,4'-Di-tert-butylbiphenyl 1625-91-8 DTXSID4048193 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC=C(C=C1)C1=CC=C(C=C1)C(C)(C)C 4,4'-Di-tert-butylbiphenyl 1625-91-8|4,4'-Di-tert-butylbiphenyl|EINECS 216-615-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048193
ERPathway2016 ERPathway2016_1335 4,4'-Di-tert-butylbiphenyl 1625-91-8 DTXSID4048193 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC=C(C=C1)C1=CC=C(C=C1)C(C)(C)C 4,4'-Di-tert-butylbiphenyl 1625-91-8|4,4'-Di-tert-butylbiphenyl|EINECS 216-615-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048193
ARPathway2016 ARPathway2016_5 4,4'-Dithiodimorpholine 103-34-4 DTXSID8026698 1.0 Antagonist AR Pathway Model, Agonist AC50 56.75318946 uM C1CN(CCO1)SSN1CCOCC1 4,4'-Dithiodimorpholine 103-34-4|4,4'-Dithiodimorpholine|4-27-00-00613|4,4'-Dithiobis(morpholine)|4,4'-Dithiomorpholine|Accel R|Bismorpholino disulfide|BRN 0126214|Deovulc M|Dimorpholine disulfide|Dimorpholine N,N'-disulfide|Dimorpholino disulfide|Disulfide, dimorpholino-|Dithiobismorpholine|EINECS 203-103-0|Morpholine disulfide|Morpholine, 4,4'-dithiobis-|Morpholine, N,N'-disulfide-|Morpholino disulfide|Morpholinodisulfide|N,N-Dithiodimorpholine|N,N'-Bismorpholine disulfide|N,N'-Dithiodimorfolin|NSC 65239|Sanfel R|Sulfasan|Sulfasan R|UNII-M786P489YF|USAF EK-T-6645|Vanax A|39393-19-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026698
ARPathway2016 ARPathway2016_5 4,4'-Dithiodimorpholine 103-34-4 DTXSID8026698 1.0 Antagonist AR Pathway Model, Agonist ACC 49.7859933399999 uM C1CN(CCO1)SSN1CCOCC1 4,4'-Dithiodimorpholine 103-34-4|4,4'-Dithiodimorpholine|4-27-00-00613|4,4'-Dithiobis(morpholine)|4,4'-Dithiomorpholine|Accel R|Bismorpholino disulfide|BRN 0126214|Deovulc M|Dimorpholine disulfide|Dimorpholine N,N'-disulfide|Dimorpholino disulfide|Disulfide, dimorpholino-|Dithiobismorpholine|EINECS 203-103-0|Morpholine disulfide|Morpholine, 4,4'-dithiobis-|Morpholine, N,N'-disulfide-|Morpholino disulfide|Morpholinodisulfide|N,N-Dithiodimorpholine|N,N'-Bismorpholine disulfide|N,N'-Dithiodimorfolin|NSC 65239|Sanfel R|Sulfasan|Sulfasan R|UNII-M786P489YF|USAF EK-T-6645|Vanax A|39393-19-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026698
ARPathway2016 ARPathway2016_5 4,4'-Dithiodimorpholine 103-34-4 DTXSID8026698 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.067 Unitless C1CN(CCO1)SSN1CCOCC1 4,4'-Dithiodimorpholine 103-34-4|4,4'-Dithiodimorpholine|4-27-00-00613|4,4'-Dithiobis(morpholine)|4,4'-Dithiomorpholine|Accel R|Bismorpholino disulfide|BRN 0126214|Deovulc M|Dimorpholine disulfide|Dimorpholine N,N'-disulfide|Dimorpholino disulfide|Disulfide, dimorpholino-|Dithiobismorpholine|EINECS 203-103-0|Morpholine disulfide|Morpholine, 4,4'-dithiobis-|Morpholine, N,N'-disulfide-|Morpholino disulfide|Morpholinodisulfide|N,N-Dithiodimorpholine|N,N'-Bismorpholine disulfide|N,N'-Dithiodimorfolin|NSC 65239|Sanfel R|Sulfasan|Sulfasan R|UNII-M786P489YF|USAF EK-T-6645|Vanax A|39393-19-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026698
ARPathway2016 ARPathway2016_5 4,4'-Dithiodimorpholine 103-34-4 DTXSID8026698 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless C1CN(CCO1)SSN1CCOCC1 4,4'-Dithiodimorpholine 103-34-4|4,4'-Dithiodimorpholine|4-27-00-00613|4,4'-Dithiobis(morpholine)|4,4'-Dithiomorpholine|Accel R|Bismorpholino disulfide|BRN 0126214|Deovulc M|Dimorpholine disulfide|Dimorpholine N,N'-disulfide|Dimorpholino disulfide|Disulfide, dimorpholino-|Dithiobismorpholine|EINECS 203-103-0|Morpholine disulfide|Morpholine, 4,4'-dithiobis-|Morpholine, N,N'-disulfide-|Morpholino disulfide|Morpholinodisulfide|N,N-Dithiodimorpholine|N,N'-Bismorpholine disulfide|N,N'-Dithiodimorfolin|NSC 65239|Sanfel R|Sulfasan|Sulfasan R|UNII-M786P489YF|USAF EK-T-6645|Vanax A|39393-19-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026698
ARPathway2016 ARPathway2016_5 4,4'-Dithiodimorpholine 103-34-4 DTXSID8026698 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless C1CN(CCO1)SSN1CCOCC1 4,4'-Dithiodimorpholine 103-34-4|4,4'-Dithiodimorpholine|4-27-00-00613|4,4'-Dithiobis(morpholine)|4,4'-Dithiomorpholine|Accel R|Bismorpholino disulfide|BRN 0126214|Deovulc M|Dimorpholine disulfide|Dimorpholine N,N'-disulfide|Dimorpholino disulfide|Disulfide, dimorpholino-|Dithiobismorpholine|EINECS 203-103-0|Morpholine disulfide|Morpholine, 4,4'-dithiobis-|Morpholine, N,N'-disulfide-|Morpholino disulfide|Morpholinodisulfide|N,N-Dithiodimorpholine|N,N'-Bismorpholine disulfide|N,N'-Dithiodimorfolin|NSC 65239|Sanfel R|Sulfasan|Sulfasan R|UNII-M786P489YF|USAF EK-T-6645|Vanax A|39393-19-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026698
ARPathway2016 ARPathway2016_5 4,4'-Dithiodimorpholine 103-34-4 DTXSID8026698 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless C1CN(CCO1)SSN1CCOCC1 4,4'-Dithiodimorpholine 103-34-4|4,4'-Dithiodimorpholine|4-27-00-00613|4,4'-Dithiobis(morpholine)|4,4'-Dithiomorpholine|Accel R|Bismorpholino disulfide|BRN 0126214|Deovulc M|Dimorpholine disulfide|Dimorpholine N,N'-disulfide|Dimorpholino disulfide|Disulfide, dimorpholino-|Dithiobismorpholine|EINECS 203-103-0|Morpholine disulfide|Morpholine, 4,4'-dithiobis-|Morpholine, N,N'-disulfide-|Morpholino disulfide|Morpholinodisulfide|N,N-Dithiodimorpholine|N,N'-Bismorpholine disulfide|N,N'-Dithiodimorfolin|NSC 65239|Sanfel R|Sulfasan|Sulfasan R|UNII-M786P489YF|USAF EK-T-6645|Vanax A|39393-19-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026698
ERPathway2016 ERPathway2016_1020 4,4'-Dithiodimorpholine 103-34-4 DTXSID8026698 ER Pathway Model, Agonist Model Score 0 Unitless C1CN(CCO1)SSN1CCOCC1 4,4'-Dithiodimorpholine 103-34-4|4,4'-Dithiodimorpholine|4-27-00-00613|4,4'-Dithiobis(morpholine)|4,4'-Dithiomorpholine|Accel R|Bismorpholino disulfide|BRN 0126214|Deovulc M|Dimorpholine disulfide|Dimorpholine N,N'-disulfide|Dimorpholino disulfide|Disulfide, dimorpholino-|Dithiobismorpholine|EINECS 203-103-0|Morpholine disulfide|Morpholine, 4,4'-dithiobis-|Morpholine, N,N'-disulfide-|Morpholino disulfide|Morpholinodisulfide|N,N-Dithiodimorpholine|N,N'-Bismorpholine disulfide|N,N'-Dithiodimorfolin|NSC 65239|Sanfel R|Sulfasan|Sulfasan R|UNII-M786P489YF|USAF EK-T-6645|Vanax A|39393-19-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026698
ERPathway2016 ERPathway2016_1020 4,4'-Dithiodimorpholine 103-34-4 DTXSID8026698 ER Pathway Model, Antagonist Model Score 0 Unitless C1CN(CCO1)SSN1CCOCC1 4,4'-Dithiodimorpholine 103-34-4|4,4'-Dithiodimorpholine|4-27-00-00613|4,4'-Dithiobis(morpholine)|4,4'-Dithiomorpholine|Accel R|Bismorpholino disulfide|BRN 0126214|Deovulc M|Dimorpholine disulfide|Dimorpholine N,N'-disulfide|Dimorpholino disulfide|Disulfide, dimorpholino-|Dithiobismorpholine|EINECS 203-103-0|Morpholine disulfide|Morpholine, 4,4'-dithiobis-|Morpholine, N,N'-disulfide-|Morpholino disulfide|Morpholinodisulfide|N,N-Dithiodimorpholine|N,N'-Bismorpholine disulfide|N,N'-Dithiodimorfolin|NSC 65239|Sanfel R|Sulfasan|Sulfasan R|UNII-M786P489YF|USAF EK-T-6645|Vanax A|39393-19-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026698
ERPathway2016 ERPathway2016_1020 4,4'-Dithiodimorpholine 103-34-4 DTXSID8026698 ER Pathway Model, Agonist Call Inactive Unitless C1CN(CCO1)SSN1CCOCC1 4,4'-Dithiodimorpholine 103-34-4|4,4'-Dithiodimorpholine|4-27-00-00613|4,4'-Dithiobis(morpholine)|4,4'-Dithiomorpholine|Accel R|Bismorpholino disulfide|BRN 0126214|Deovulc M|Dimorpholine disulfide|Dimorpholine N,N'-disulfide|Dimorpholino disulfide|Disulfide, dimorpholino-|Dithiobismorpholine|EINECS 203-103-0|Morpholine disulfide|Morpholine, 4,4'-dithiobis-|Morpholine, N,N'-disulfide-|Morpholino disulfide|Morpholinodisulfide|N,N-Dithiodimorpholine|N,N'-Bismorpholine disulfide|N,N'-Dithiodimorfolin|NSC 65239|Sanfel R|Sulfasan|Sulfasan R|UNII-M786P489YF|USAF EK-T-6645|Vanax A|39393-19-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026698
ERPathway2016 ERPathway2016_1020 4,4'-Dithiodimorpholine 103-34-4 DTXSID8026698 ER Pathway Model, Antagonist Call Inactive Unitless C1CN(CCO1)SSN1CCOCC1 4,4'-Dithiodimorpholine 103-34-4|4,4'-Dithiodimorpholine|4-27-00-00613|4,4'-Dithiobis(morpholine)|4,4'-Dithiomorpholine|Accel R|Bismorpholino disulfide|BRN 0126214|Deovulc M|Dimorpholine disulfide|Dimorpholine N,N'-disulfide|Dimorpholino disulfide|Disulfide, dimorpholino-|Dithiobismorpholine|EINECS 203-103-0|Morpholine disulfide|Morpholine, 4,4'-dithiobis-|Morpholine, N,N'-disulfide-|Morpholino disulfide|Morpholinodisulfide|N,N-Dithiodimorpholine|N,N'-Bismorpholine disulfide|N,N'-Dithiodimorfolin|NSC 65239|Sanfel R|Sulfasan|Sulfasan R|UNII-M786P489YF|USAF EK-T-6645|Vanax A|39393-19-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026698
ARPathway2016 ARPathway2016_69 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8 DTXSID4048191 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 37.74754689 uM CCC1=CC(CC2=CC(CC)=C(N)C(CC)=C2)=CC(CC)=C1N 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8|4,4'-Methylenebis(2,6-diethylaniline)|EINECS 237-185-4|127774-72-5|181232-09-7|286441-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048191
ARPathway2016 ARPathway2016_69 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8 DTXSID4048191 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 35.61933515 uM CCC1=CC(CC2=CC(CC)=C(N)C(CC)=C2)=CC(CC)=C1N 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8|4,4'-Methylenebis(2,6-diethylaniline)|EINECS 237-185-4|127774-72-5|181232-09-7|286441-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048191
ARPathway2016 ARPathway2016_69 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8 DTXSID4048191 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0595 Unitless CCC1=CC(CC2=CC(CC)=C(N)C(CC)=C2)=CC(CC)=C1N 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8|4,4'-Methylenebis(2,6-diethylaniline)|EINECS 237-185-4|127774-72-5|181232-09-7|286441-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048191
ARPathway2016 ARPathway2016_69 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8 DTXSID4048191 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCC1=CC(CC2=CC(CC)=C(N)C(CC)=C2)=CC(CC)=C1N 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8|4,4'-Methylenebis(2,6-diethylaniline)|EINECS 237-185-4|127774-72-5|181232-09-7|286441-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048191
ARPathway2016 ARPathway2016_69 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8 DTXSID4048191 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCC1=CC(CC2=CC(CC)=C(N)C(CC)=C2)=CC(CC)=C1N 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8|4,4'-Methylenebis(2,6-diethylaniline)|EINECS 237-185-4|127774-72-5|181232-09-7|286441-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048191
ARPathway2016 ARPathway2016_69 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8 DTXSID4048191 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCC1=CC(CC2=CC(CC)=C(N)C(CC)=C2)=CC(CC)=C1N 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8|4,4'-Methylenebis(2,6-diethylaniline)|EINECS 237-185-4|127774-72-5|181232-09-7|286441-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048191
ERPathway2016 ERPathway2016_75 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8 DTXSID4048191 A2 ER Pathway Model, Agonist AC50 1.20110935671635 uM CCC1=CC(CC2=CC(CC)=C(N)C(CC)=C2)=CC(CC)=C1N 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8|4,4'-Methylenebis(2,6-diethylaniline)|EINECS 237-185-4|127774-72-5|181232-09-7|286441-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048191
ERPathway2016 ERPathway2016_75 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8 DTXSID4048191 A2 ER Pathway Model, Agonist ACC 0.751605060048701 uM CCC1=CC(CC2=CC(CC)=C(N)C(CC)=C2)=CC(CC)=C1N 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8|4,4'-Methylenebis(2,6-diethylaniline)|EINECS 237-185-4|127774-72-5|181232-09-7|286441-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048191
ERPathway2016 ERPathway2016_75 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8 DTXSID4048191 A2 ER Pathway Model, Agonist Model Score 0 Unitless CCC1=CC(CC2=CC(CC)=C(N)C(CC)=C2)=CC(CC)=C1N 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8|4,4'-Methylenebis(2,6-diethylaniline)|EINECS 237-185-4|127774-72-5|181232-09-7|286441-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048191
ERPathway2016 ERPathway2016_75 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8 DTXSID4048191 A2 ER Pathway Model, Antagonist Model Score 0.0644 Unitless CCC1=CC(CC2=CC(CC)=C(N)C(CC)=C2)=CC(CC)=C1N 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8|4,4'-Methylenebis(2,6-diethylaniline)|EINECS 237-185-4|127774-72-5|181232-09-7|286441-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048191
ERPathway2016 ERPathway2016_75 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8 DTXSID4048191 A2 ER Pathway Model, Agonist Call Active Unitless CCC1=CC(CC2=CC(CC)=C(N)C(CC)=C2)=CC(CC)=C1N 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8|4,4'-Methylenebis(2,6-diethylaniline)|EINECS 237-185-4|127774-72-5|181232-09-7|286441-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048191
ERPathway2016 ERPathway2016_75 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8 DTXSID4048191 A2 ER Pathway Model, Antagonist Call Inactive Unitless CCC1=CC(CC2=CC(CC)=C(N)C(CC)=C2)=CC(CC)=C1N 4,4'-Methylenebis(2,6-diethylaniline) 13680-35-8|4,4'-Methylenebis(2,6-diethylaniline)|EINECS 237-185-4|127774-72-5|181232-09-7|286441-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048191
ARPathway2016 ARPathway2016_651 4,4'-Methylenebis(2,6-di-t-butylphenol) 118-82-1 DTXSID7022411 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C 4,4'-Methylenebis(2,6-di-t-butylphenol) 118-82-1|4,4'-Methylenebis(2,6-di-t-butylphenol)|2,2',6,6'-tetra-terc-butil-4,4'-metilendifenol|2,2',6,6'-Tetra-tert-butyl-4,4'-methylendiphenol|2,2',6,6'-tetra-tert-butyl-4,4'-methylenediphenol|3,3',5,5'-Tetra-tert-butyl-4,4'-dihydroxydiphenylmethane|4-06-00-06811|4, 4'-methylenebis (2, 6-di-t-butylphenol)|4,4' METHYLENEBIS(2,6 DI-TERT BUTYL PHENOL)|4,4'-METHYLEN-BIS-(2,6-DI-TERT-BUTYLPHENOL)|4,4'-Methylenebis(2,6-bis(1,1-dimethylethyl)phenol)|4,4'-METHYLENEBIS(2,6-DI-TERT-BUTYLPHENOL)|4,4'-methylenebis[2,6 bis(1,1-dimethylethyl)phenol]|4,4'-Methylenebis[2,6-di-tert-butylphenol]|Antioxidant 4426|Antioxidant 702|Antioxidant 728|Antioxidant E 702|Bimox M|Binox M|Bis(3,5-di-tert-butyl-4-hydroxyphenyl)methane|Bis(4-hydroxy-3,5-di-tert-butylphenyl)methane|BRN 1916919|Di(3,5-di-tert-butyl-4-hydroxyphenyl)methane|Di(4-hydroxy-3,5-di-tert-butylphenyl)methane|EINECS 204-279-1|Ethanox 702|Ethyl Antioxidant 702|Ethyl Antioxidant 728|Ionox 220 Antioxidant|MB 1|NSC 30551|Phenol, 4,4'-methylenebis(2,6-di-tert-butyl-|Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-| https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022411
ARPathway2016 ARPathway2016_651 4,4'-Methylenebis(2,6-di-t-butylphenol) 118-82-1 DTXSID7022411 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C 4,4'-Methylenebis(2,6-di-t-butylphenol) 118-82-1|4,4'-Methylenebis(2,6-di-t-butylphenol)|2,2',6,6'-tetra-terc-butil-4,4'-metilendifenol|2,2',6,6'-Tetra-tert-butyl-4,4'-methylendiphenol|2,2',6,6'-tetra-tert-butyl-4,4'-methylenediphenol|3,3',5,5'-Tetra-tert-butyl-4,4'-dihydroxydiphenylmethane|4-06-00-06811|4, 4'-methylenebis (2, 6-di-t-butylphenol)|4,4' METHYLENEBIS(2,6 DI-TERT BUTYL PHENOL)|4,4'-METHYLEN-BIS-(2,6-DI-TERT-BUTYLPHENOL)|4,4'-Methylenebis(2,6-bis(1,1-dimethylethyl)phenol)|4,4'-METHYLENEBIS(2,6-DI-TERT-BUTYLPHENOL)|4,4'-methylenebis[2,6 bis(1,1-dimethylethyl)phenol]|4,4'-Methylenebis[2,6-di-tert-butylphenol]|Antioxidant 4426|Antioxidant 702|Antioxidant 728|Antioxidant E 702|Bimox M|Binox M|Bis(3,5-di-tert-butyl-4-hydroxyphenyl)methane|Bis(4-hydroxy-3,5-di-tert-butylphenyl)methane|BRN 1916919|Di(3,5-di-tert-butyl-4-hydroxyphenyl)methane|Di(4-hydroxy-3,5-di-tert-butylphenyl)methane|EINECS 204-279-1|Ethanox 702|Ethyl Antioxidant 702|Ethyl Antioxidant 728|Ionox 220 Antioxidant|MB 1|NSC 30551|Phenol, 4,4'-methylenebis(2,6-di-tert-butyl-|Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-| https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022411
ARPathway2016 ARPathway2016_651 4,4'-Methylenebis(2,6-di-t-butylphenol) 118-82-1 DTXSID7022411 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C 4,4'-Methylenebis(2,6-di-t-butylphenol) 118-82-1|4,4'-Methylenebis(2,6-di-t-butylphenol)|2,2',6,6'-tetra-terc-butil-4,4'-metilendifenol|2,2',6,6'-Tetra-tert-butyl-4,4'-methylendiphenol|2,2',6,6'-tetra-tert-butyl-4,4'-methylenediphenol|3,3',5,5'-Tetra-tert-butyl-4,4'-dihydroxydiphenylmethane|4-06-00-06811|4, 4'-methylenebis (2, 6-di-t-butylphenol)|4,4' METHYLENEBIS(2,6 DI-TERT BUTYL PHENOL)|4,4'-METHYLEN-BIS-(2,6-DI-TERT-BUTYLPHENOL)|4,4'-Methylenebis(2,6-bis(1,1-dimethylethyl)phenol)|4,4'-METHYLENEBIS(2,6-DI-TERT-BUTYLPHENOL)|4,4'-methylenebis[2,6 bis(1,1-dimethylethyl)phenol]|4,4'-Methylenebis[2,6-di-tert-butylphenol]|Antioxidant 4426|Antioxidant 702|Antioxidant 728|Antioxidant E 702|Bimox M|Binox M|Bis(3,5-di-tert-butyl-4-hydroxyphenyl)methane|Bis(4-hydroxy-3,5-di-tert-butylphenyl)methane|BRN 1916919|Di(3,5-di-tert-butyl-4-hydroxyphenyl)methane|Di(4-hydroxy-3,5-di-tert-butylphenyl)methane|EINECS 204-279-1|Ethanox 702|Ethyl Antioxidant 702|Ethyl Antioxidant 728|Ionox 220 Antioxidant|MB 1|NSC 30551|Phenol, 4,4'-methylenebis(2,6-di-tert-butyl-|Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-| https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022411
ARPathway2016 ARPathway2016_651 4,4'-Methylenebis(2,6-di-t-butylphenol) 118-82-1 DTXSID7022411 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C 4,4'-Methylenebis(2,6-di-t-butylphenol) 118-82-1|4,4'-Methylenebis(2,6-di-t-butylphenol)|2,2',6,6'-tetra-terc-butil-4,4'-metilendifenol|2,2',6,6'-Tetra-tert-butyl-4,4'-methylendiphenol|2,2',6,6'-tetra-tert-butyl-4,4'-methylenediphenol|3,3',5,5'-Tetra-tert-butyl-4,4'-dihydroxydiphenylmethane|4-06-00-06811|4, 4'-methylenebis (2, 6-di-t-butylphenol)|4,4' METHYLENEBIS(2,6 DI-TERT BUTYL PHENOL)|4,4'-METHYLEN-BIS-(2,6-DI-TERT-BUTYLPHENOL)|4,4'-Methylenebis(2,6-bis(1,1-dimethylethyl)phenol)|4,4'-METHYLENEBIS(2,6-DI-TERT-BUTYLPHENOL)|4,4'-methylenebis[2,6 bis(1,1-dimethylethyl)phenol]|4,4'-Methylenebis[2,6-di-tert-butylphenol]|Antioxidant 4426|Antioxidant 702|Antioxidant 728|Antioxidant E 702|Bimox M|Binox M|Bis(3,5-di-tert-butyl-4-hydroxyphenyl)methane|Bis(4-hydroxy-3,5-di-tert-butylphenyl)methane|BRN 1916919|Di(3,5-di-tert-butyl-4-hydroxyphenyl)methane|Di(4-hydroxy-3,5-di-tert-butylphenyl)methane|EINECS 204-279-1|Ethanox 702|Ethyl Antioxidant 702|Ethyl Antioxidant 728|Ionox 220 Antioxidant|MB 1|NSC 30551|Phenol, 4,4'-methylenebis(2,6-di-tert-butyl-|Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-| https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022411
ERPathway2016 ERPathway2016_1001 4,4'-Methylenebis(2,6-di-t-butylphenol) 118-82-1 DTXSID7022411 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C 4,4'-Methylenebis(2,6-di-t-butylphenol) 118-82-1|4,4'-Methylenebis(2,6-di-t-butylphenol)|2,2',6,6'-tetra-terc-butil-4,4'-metilendifenol|2,2',6,6'-Tetra-tert-butyl-4,4'-methylendiphenol|2,2',6,6'-tetra-tert-butyl-4,4'-methylenediphenol|3,3',5,5'-Tetra-tert-butyl-4,4'-dihydroxydiphenylmethane|4-06-00-06811|4, 4'-methylenebis (2, 6-di-t-butylphenol)|4,4' METHYLENEBIS(2,6 DI-TERT BUTYL PHENOL)|4,4'-METHYLEN-BIS-(2,6-DI-TERT-BUTYLPHENOL)|4,4'-Methylenebis(2,6-bis(1,1-dimethylethyl)phenol)|4,4'-METHYLENEBIS(2,6-DI-TERT-BUTYLPHENOL)|4,4'-methylenebis[2,6 bis(1,1-dimethylethyl)phenol]|4,4'-Methylenebis[2,6-di-tert-butylphenol]|Antioxidant 4426|Antioxidant 702|Antioxidant 728|Antioxidant E 702|Bimox M|Binox M|Bis(3,5-di-tert-butyl-4-hydroxyphenyl)methane|Bis(4-hydroxy-3,5-di-tert-butylphenyl)methane|BRN 1916919|Di(3,5-di-tert-butyl-4-hydroxyphenyl)methane|Di(4-hydroxy-3,5-di-tert-butylphenyl)methane|EINECS 204-279-1|Ethanox 702|Ethyl Antioxidant 702|Ethyl Antioxidant 728|Ionox 220 Antioxidant|MB 1|NSC 30551|Phenol, 4,4'-methylenebis(2,6-di-tert-butyl-|Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-| https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022411
ERPathway2016 ERPathway2016_1001 4,4'-Methylenebis(2,6-di-t-butylphenol) 118-82-1 DTXSID7022411 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C 4,4'-Methylenebis(2,6-di-t-butylphenol) 118-82-1|4,4'-Methylenebis(2,6-di-t-butylphenol)|2,2',6,6'-tetra-terc-butil-4,4'-metilendifenol|2,2',6,6'-Tetra-tert-butyl-4,4'-methylendiphenol|2,2',6,6'-tetra-tert-butyl-4,4'-methylenediphenol|3,3',5,5'-Tetra-tert-butyl-4,4'-dihydroxydiphenylmethane|4-06-00-06811|4, 4'-methylenebis (2, 6-di-t-butylphenol)|4,4' METHYLENEBIS(2,6 DI-TERT BUTYL PHENOL)|4,4'-METHYLEN-BIS-(2,6-DI-TERT-BUTYLPHENOL)|4,4'-Methylenebis(2,6-bis(1,1-dimethylethyl)phenol)|4,4'-METHYLENEBIS(2,6-DI-TERT-BUTYLPHENOL)|4,4'-methylenebis[2,6 bis(1,1-dimethylethyl)phenol]|4,4'-Methylenebis[2,6-di-tert-butylphenol]|Antioxidant 4426|Antioxidant 702|Antioxidant 728|Antioxidant E 702|Bimox M|Binox M|Bis(3,5-di-tert-butyl-4-hydroxyphenyl)methane|Bis(4-hydroxy-3,5-di-tert-butylphenyl)methane|BRN 1916919|Di(3,5-di-tert-butyl-4-hydroxyphenyl)methane|Di(4-hydroxy-3,5-di-tert-butylphenyl)methane|EINECS 204-279-1|Ethanox 702|Ethyl Antioxidant 702|Ethyl Antioxidant 728|Ionox 220 Antioxidant|MB 1|NSC 30551|Phenol, 4,4'-methylenebis(2,6-di-tert-butyl-|Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-| https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022411
ERPathway2016 ERPathway2016_1001 4,4'-Methylenebis(2,6-di-t-butylphenol) 118-82-1 DTXSID7022411 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C 4,4'-Methylenebis(2,6-di-t-butylphenol) 118-82-1|4,4'-Methylenebis(2,6-di-t-butylphenol)|2,2',6,6'-tetra-terc-butil-4,4'-metilendifenol|2,2',6,6'-Tetra-tert-butyl-4,4'-methylendiphenol|2,2',6,6'-tetra-tert-butyl-4,4'-methylenediphenol|3,3',5,5'-Tetra-tert-butyl-4,4'-dihydroxydiphenylmethane|4-06-00-06811|4, 4'-methylenebis (2, 6-di-t-butylphenol)|4,4' METHYLENEBIS(2,6 DI-TERT BUTYL PHENOL)|4,4'-METHYLEN-BIS-(2,6-DI-TERT-BUTYLPHENOL)|4,4'-Methylenebis(2,6-bis(1,1-dimethylethyl)phenol)|4,4'-METHYLENEBIS(2,6-DI-TERT-BUTYLPHENOL)|4,4'-methylenebis[2,6 bis(1,1-dimethylethyl)phenol]|4,4'-Methylenebis[2,6-di-tert-butylphenol]|Antioxidant 4426|Antioxidant 702|Antioxidant 728|Antioxidant E 702|Bimox M|Binox M|Bis(3,5-di-tert-butyl-4-hydroxyphenyl)methane|Bis(4-hydroxy-3,5-di-tert-butylphenyl)methane|BRN 1916919|Di(3,5-di-tert-butyl-4-hydroxyphenyl)methane|Di(4-hydroxy-3,5-di-tert-butylphenyl)methane|EINECS 204-279-1|Ethanox 702|Ethyl Antioxidant 702|Ethyl Antioxidant 728|Ionox 220 Antioxidant|MB 1|NSC 30551|Phenol, 4,4'-methylenebis(2,6-di-tert-butyl-|Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-| https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022411
ERPathway2016 ERPathway2016_1001 4,4'-Methylenebis(2,6-di-t-butylphenol) 118-82-1 DTXSID7022411 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C 4,4'-Methylenebis(2,6-di-t-butylphenol) 118-82-1|4,4'-Methylenebis(2,6-di-t-butylphenol)|2,2',6,6'-tetra-terc-butil-4,4'-metilendifenol|2,2',6,6'-Tetra-tert-butyl-4,4'-methylendiphenol|2,2',6,6'-tetra-tert-butyl-4,4'-methylenediphenol|3,3',5,5'-Tetra-tert-butyl-4,4'-dihydroxydiphenylmethane|4-06-00-06811|4, 4'-methylenebis (2, 6-di-t-butylphenol)|4,4' METHYLENEBIS(2,6 DI-TERT BUTYL PHENOL)|4,4'-METHYLEN-BIS-(2,6-DI-TERT-BUTYLPHENOL)|4,4'-Methylenebis(2,6-bis(1,1-dimethylethyl)phenol)|4,4'-METHYLENEBIS(2,6-DI-TERT-BUTYLPHENOL)|4,4'-methylenebis[2,6 bis(1,1-dimethylethyl)phenol]|4,4'-Methylenebis[2,6-di-tert-butylphenol]|Antioxidant 4426|Antioxidant 702|Antioxidant 728|Antioxidant E 702|Bimox M|Binox M|Bis(3,5-di-tert-butyl-4-hydroxyphenyl)methane|Bis(4-hydroxy-3,5-di-tert-butylphenyl)methane|BRN 1916919|Di(3,5-di-tert-butyl-4-hydroxyphenyl)methane|Di(4-hydroxy-3,5-di-tert-butylphenyl)methane|EINECS 204-279-1|Ethanox 702|Ethyl Antioxidant 702|Ethyl Antioxidant 728|Ionox 220 Antioxidant|MB 1|NSC 30551|Phenol, 4,4'-methylenebis(2,6-di-tert-butyl-|Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-| https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022411
ARPathway2016 ARPathway2016_415 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1 DTXSID5020869 FLAG: Wrong direction (Hit/No hit) -1.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)C1=CC=C(CC2=CC=C(C=C2)N(C)C)C=C1 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1|4,4'-Methylenebis(N,N-dimethylaniline)|(4,4'-Tetramethyl)diaminodiphenylmethane|4,4'-(Dimethylamino)diphenylmethane|4,4'-Bis(dimethylamino)diphenylmethane|4,4'-Methylenebis(N,N-dimethyl)benzenamine|BAZE michlerova|Bis-(4-dimethylaminophenyl)methane|Bis(4-(dimethylamino)phenyl)methane|Bis(4-(N,N-dimethylamino)phenyl)methane|Bis(p-(N,N-dimethylamino)phenyl)methane|Bis(p-dimethylamino)diphenylmethane|Bis(p-dimethylaminophenyl)methane|Diphenylmethane, tetramethyldiamino-|EINECS 202-959-2|Methane base|Methane, bis(p-(dimethylamino)phenyl)-|Methanediamine, tetramethyl-N,N'-diphenyl-|Methylene base|Michler's base|Michler's hydride|Michler's ketone, reduced|Michler's methane|N,N,N'N'-Tetramethyl-4,4'-diaminodiphenylmethane|N,N,N'N'-Tetramethyl-p,p'-diaminodiphenylmethane|N,N'-Tetramethyldiaminodiphenylmethane|NCI-C01990|NSC 36782|p,p-Dimethylaminodiphenylmethane|p,p-Tetramethyldiaminodiphenylmethane|p,p'-Bis(dimethylamino)diphenylmethane|p,p'-Bis(N,N-dimethylaminophenyl)methane|Reduced Michler's ketone|Tetra-base|Tetrabase|Tetramethyldiaminodiphenylmethan|30135-64-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020869 https://doi.org/10.22427/NTP-DATA-DTXSID5020869
ARPathway2016 ARPathway2016_415 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1 DTXSID5020869 FLAG: Wrong direction (Hit/No hit) -1.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C1=CC=C(CC2=CC=C(C=C2)N(C)C)C=C1 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1|4,4'-Methylenebis(N,N-dimethylaniline)|(4,4'-Tetramethyl)diaminodiphenylmethane|4,4'-(Dimethylamino)diphenylmethane|4,4'-Bis(dimethylamino)diphenylmethane|4,4'-Methylenebis(N,N-dimethyl)benzenamine|BAZE michlerova|Bis-(4-dimethylaminophenyl)methane|Bis(4-(dimethylamino)phenyl)methane|Bis(4-(N,N-dimethylamino)phenyl)methane|Bis(p-(N,N-dimethylamino)phenyl)methane|Bis(p-dimethylamino)diphenylmethane|Bis(p-dimethylaminophenyl)methane|Diphenylmethane, tetramethyldiamino-|EINECS 202-959-2|Methane base|Methane, bis(p-(dimethylamino)phenyl)-|Methanediamine, tetramethyl-N,N'-diphenyl-|Methylene base|Michler's base|Michler's hydride|Michler's ketone, reduced|Michler's methane|N,N,N'N'-Tetramethyl-4,4'-diaminodiphenylmethane|N,N,N'N'-Tetramethyl-p,p'-diaminodiphenylmethane|N,N'-Tetramethyldiaminodiphenylmethane|NCI-C01990|NSC 36782|p,p-Dimethylaminodiphenylmethane|p,p-Tetramethyldiaminodiphenylmethane|p,p'-Bis(dimethylamino)diphenylmethane|p,p'-Bis(N,N-dimethylaminophenyl)methane|Reduced Michler's ketone|Tetra-base|Tetrabase|Tetramethyldiaminodiphenylmethan|30135-64-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020869 https://doi.org/10.22427/NTP-DATA-DTXSID5020869
ARPathway2016 ARPathway2016_415 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1 DTXSID5020869 FLAG: Wrong direction (Hit/No hit) -1.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C1=CC=C(CC2=CC=C(C=C2)N(C)C)C=C1 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1|4,4'-Methylenebis(N,N-dimethylaniline)|(4,4'-Tetramethyl)diaminodiphenylmethane|4,4'-(Dimethylamino)diphenylmethane|4,4'-Bis(dimethylamino)diphenylmethane|4,4'-Methylenebis(N,N-dimethyl)benzenamine|BAZE michlerova|Bis-(4-dimethylaminophenyl)methane|Bis(4-(dimethylamino)phenyl)methane|Bis(4-(N,N-dimethylamino)phenyl)methane|Bis(p-(N,N-dimethylamino)phenyl)methane|Bis(p-dimethylamino)diphenylmethane|Bis(p-dimethylaminophenyl)methane|Diphenylmethane, tetramethyldiamino-|EINECS 202-959-2|Methane base|Methane, bis(p-(dimethylamino)phenyl)-|Methanediamine, tetramethyl-N,N'-diphenyl-|Methylene base|Michler's base|Michler's hydride|Michler's ketone, reduced|Michler's methane|N,N,N'N'-Tetramethyl-4,4'-diaminodiphenylmethane|N,N,N'N'-Tetramethyl-p,p'-diaminodiphenylmethane|N,N'-Tetramethyldiaminodiphenylmethane|NCI-C01990|NSC 36782|p,p-Dimethylaminodiphenylmethane|p,p-Tetramethyldiaminodiphenylmethane|p,p'-Bis(dimethylamino)diphenylmethane|p,p'-Bis(N,N-dimethylaminophenyl)methane|Reduced Michler's ketone|Tetra-base|Tetrabase|Tetramethyldiaminodiphenylmethan|30135-64-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020869 https://doi.org/10.22427/NTP-DATA-DTXSID5020869
ARPathway2016 ARPathway2016_415 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1 DTXSID5020869 FLAG: Wrong direction (Hit/No hit) -1.0 AR Pathway Model, Agonist Call Inactive Unitless CN(C)C1=CC=C(CC2=CC=C(C=C2)N(C)C)C=C1 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1|4,4'-Methylenebis(N,N-dimethylaniline)|(4,4'-Tetramethyl)diaminodiphenylmethane|4,4'-(Dimethylamino)diphenylmethane|4,4'-Bis(dimethylamino)diphenylmethane|4,4'-Methylenebis(N,N-dimethyl)benzenamine|BAZE michlerova|Bis-(4-dimethylaminophenyl)methane|Bis(4-(dimethylamino)phenyl)methane|Bis(4-(N,N-dimethylamino)phenyl)methane|Bis(p-(N,N-dimethylamino)phenyl)methane|Bis(p-dimethylamino)diphenylmethane|Bis(p-dimethylaminophenyl)methane|Diphenylmethane, tetramethyldiamino-|EINECS 202-959-2|Methane base|Methane, bis(p-(dimethylamino)phenyl)-|Methanediamine, tetramethyl-N,N'-diphenyl-|Methylene base|Michler's base|Michler's hydride|Michler's ketone, reduced|Michler's methane|N,N,N'N'-Tetramethyl-4,4'-diaminodiphenylmethane|N,N,N'N'-Tetramethyl-p,p'-diaminodiphenylmethane|N,N'-Tetramethyldiaminodiphenylmethane|NCI-C01990|NSC 36782|p,p-Dimethylaminodiphenylmethane|p,p-Tetramethyldiaminodiphenylmethane|p,p'-Bis(dimethylamino)diphenylmethane|p,p'-Bis(N,N-dimethylaminophenyl)methane|Reduced Michler's ketone|Tetra-base|Tetrabase|Tetramethyldiaminodiphenylmethan|30135-64-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020869 https://doi.org/10.22427/NTP-DATA-DTXSID5020869
ERPathway2016 ERPathway2016_275 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1 DTXSID5020869 ER Pathway Model, Antagonist AC50 12.0092192590427 uM CN(C)C1=CC=C(CC2=CC=C(C=C2)N(C)C)C=C1 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1|4,4'-Methylenebis(N,N-dimethylaniline)|(4,4'-Tetramethyl)diaminodiphenylmethane|4,4'-(Dimethylamino)diphenylmethane|4,4'-Bis(dimethylamino)diphenylmethane|4,4'-Methylenebis(N,N-dimethyl)benzenamine|BAZE michlerova|Bis-(4-dimethylaminophenyl)methane|Bis(4-(dimethylamino)phenyl)methane|Bis(4-(N,N-dimethylamino)phenyl)methane|Bis(p-(N,N-dimethylamino)phenyl)methane|Bis(p-dimethylamino)diphenylmethane|Bis(p-dimethylaminophenyl)methane|Diphenylmethane, tetramethyldiamino-|EINECS 202-959-2|Methane base|Methane, bis(p-(dimethylamino)phenyl)-|Methanediamine, tetramethyl-N,N'-diphenyl-|Methylene base|Michler's base|Michler's hydride|Michler's ketone, reduced|Michler's methane|N,N,N'N'-Tetramethyl-4,4'-diaminodiphenylmethane|N,N,N'N'-Tetramethyl-p,p'-diaminodiphenylmethane|N,N'-Tetramethyldiaminodiphenylmethane|NCI-C01990|NSC 36782|p,p-Dimethylaminodiphenylmethane|p,p-Tetramethyldiaminodiphenylmethane|p,p'-Bis(dimethylamino)diphenylmethane|p,p'-Bis(N,N-dimethylaminophenyl)methane|Reduced Michler's ketone|Tetra-base|Tetrabase|Tetramethyldiaminodiphenylmethan|30135-64-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020869 https://doi.org/10.22427/NTP-DATA-DTXSID5020869
ERPathway2016 ERPathway2016_275 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1 DTXSID5020869 ER Pathway Model, Antagonist ACC 9.79883330372848 uM CN(C)C1=CC=C(CC2=CC=C(C=C2)N(C)C)C=C1 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1|4,4'-Methylenebis(N,N-dimethylaniline)|(4,4'-Tetramethyl)diaminodiphenylmethane|4,4'-(Dimethylamino)diphenylmethane|4,4'-Bis(dimethylamino)diphenylmethane|4,4'-Methylenebis(N,N-dimethyl)benzenamine|BAZE michlerova|Bis-(4-dimethylaminophenyl)methane|Bis(4-(dimethylamino)phenyl)methane|Bis(4-(N,N-dimethylamino)phenyl)methane|Bis(p-(N,N-dimethylamino)phenyl)methane|Bis(p-dimethylamino)diphenylmethane|Bis(p-dimethylaminophenyl)methane|Diphenylmethane, tetramethyldiamino-|EINECS 202-959-2|Methane base|Methane, bis(p-(dimethylamino)phenyl)-|Methanediamine, tetramethyl-N,N'-diphenyl-|Methylene base|Michler's base|Michler's hydride|Michler's ketone, reduced|Michler's methane|N,N,N'N'-Tetramethyl-4,4'-diaminodiphenylmethane|N,N,N'N'-Tetramethyl-p,p'-diaminodiphenylmethane|N,N'-Tetramethyldiaminodiphenylmethane|NCI-C01990|NSC 36782|p,p-Dimethylaminodiphenylmethane|p,p-Tetramethyldiaminodiphenylmethane|p,p'-Bis(dimethylamino)diphenylmethane|p,p'-Bis(N,N-dimethylaminophenyl)methane|Reduced Michler's ketone|Tetra-base|Tetrabase|Tetramethyldiaminodiphenylmethan|30135-64-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020869 https://doi.org/10.22427/NTP-DATA-DTXSID5020869
ERPathway2016 ERPathway2016_275 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1 DTXSID5020869 ER Pathway Model, Agonist Model Score 0.0518 Unitless CN(C)C1=CC=C(CC2=CC=C(C=C2)N(C)C)C=C1 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1|4,4'-Methylenebis(N,N-dimethylaniline)|(4,4'-Tetramethyl)diaminodiphenylmethane|4,4'-(Dimethylamino)diphenylmethane|4,4'-Bis(dimethylamino)diphenylmethane|4,4'-Methylenebis(N,N-dimethyl)benzenamine|BAZE michlerova|Bis-(4-dimethylaminophenyl)methane|Bis(4-(dimethylamino)phenyl)methane|Bis(4-(N,N-dimethylamino)phenyl)methane|Bis(p-(N,N-dimethylamino)phenyl)methane|Bis(p-dimethylamino)diphenylmethane|Bis(p-dimethylaminophenyl)methane|Diphenylmethane, tetramethyldiamino-|EINECS 202-959-2|Methane base|Methane, bis(p-(dimethylamino)phenyl)-|Methanediamine, tetramethyl-N,N'-diphenyl-|Methylene base|Michler's base|Michler's hydride|Michler's ketone, reduced|Michler's methane|N,N,N'N'-Tetramethyl-4,4'-diaminodiphenylmethane|N,N,N'N'-Tetramethyl-p,p'-diaminodiphenylmethane|N,N'-Tetramethyldiaminodiphenylmethane|NCI-C01990|NSC 36782|p,p-Dimethylaminodiphenylmethane|p,p-Tetramethyldiaminodiphenylmethane|p,p'-Bis(dimethylamino)diphenylmethane|p,p'-Bis(N,N-dimethylaminophenyl)methane|Reduced Michler's ketone|Tetra-base|Tetrabase|Tetramethyldiaminodiphenylmethan|30135-64-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020869 https://doi.org/10.22427/NTP-DATA-DTXSID5020869
ERPathway2016 ERPathway2016_275 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1 DTXSID5020869 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C1=CC=C(CC2=CC=C(C=C2)N(C)C)C=C1 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1|4,4'-Methylenebis(N,N-dimethylaniline)|(4,4'-Tetramethyl)diaminodiphenylmethane|4,4'-(Dimethylamino)diphenylmethane|4,4'-Bis(dimethylamino)diphenylmethane|4,4'-Methylenebis(N,N-dimethyl)benzenamine|BAZE michlerova|Bis-(4-dimethylaminophenyl)methane|Bis(4-(dimethylamino)phenyl)methane|Bis(4-(N,N-dimethylamino)phenyl)methane|Bis(p-(N,N-dimethylamino)phenyl)methane|Bis(p-dimethylamino)diphenylmethane|Bis(p-dimethylaminophenyl)methane|Diphenylmethane, tetramethyldiamino-|EINECS 202-959-2|Methane base|Methane, bis(p-(dimethylamino)phenyl)-|Methanediamine, tetramethyl-N,N'-diphenyl-|Methylene base|Michler's base|Michler's hydride|Michler's ketone, reduced|Michler's methane|N,N,N'N'-Tetramethyl-4,4'-diaminodiphenylmethane|N,N,N'N'-Tetramethyl-p,p'-diaminodiphenylmethane|N,N'-Tetramethyldiaminodiphenylmethane|NCI-C01990|NSC 36782|p,p-Dimethylaminodiphenylmethane|p,p-Tetramethyldiaminodiphenylmethane|p,p'-Bis(dimethylamino)diphenylmethane|p,p'-Bis(N,N-dimethylaminophenyl)methane|Reduced Michler's ketone|Tetra-base|Tetrabase|Tetramethyldiaminodiphenylmethan|30135-64-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020869 https://doi.org/10.22427/NTP-DATA-DTXSID5020869
ERPathway2016 ERPathway2016_275 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1 DTXSID5020869 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C1=CC=C(CC2=CC=C(C=C2)N(C)C)C=C1 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1|4,4'-Methylenebis(N,N-dimethylaniline)|(4,4'-Tetramethyl)diaminodiphenylmethane|4,4'-(Dimethylamino)diphenylmethane|4,4'-Bis(dimethylamino)diphenylmethane|4,4'-Methylenebis(N,N-dimethyl)benzenamine|BAZE michlerova|Bis-(4-dimethylaminophenyl)methane|Bis(4-(dimethylamino)phenyl)methane|Bis(4-(N,N-dimethylamino)phenyl)methane|Bis(p-(N,N-dimethylamino)phenyl)methane|Bis(p-dimethylamino)diphenylmethane|Bis(p-dimethylaminophenyl)methane|Diphenylmethane, tetramethyldiamino-|EINECS 202-959-2|Methane base|Methane, bis(p-(dimethylamino)phenyl)-|Methanediamine, tetramethyl-N,N'-diphenyl-|Methylene base|Michler's base|Michler's hydride|Michler's ketone, reduced|Michler's methane|N,N,N'N'-Tetramethyl-4,4'-diaminodiphenylmethane|N,N,N'N'-Tetramethyl-p,p'-diaminodiphenylmethane|N,N'-Tetramethyldiaminodiphenylmethane|NCI-C01990|NSC 36782|p,p-Dimethylaminodiphenylmethane|p,p-Tetramethyldiaminodiphenylmethane|p,p'-Bis(dimethylamino)diphenylmethane|p,p'-Bis(N,N-dimethylaminophenyl)methane|Reduced Michler's ketone|Tetra-base|Tetrabase|Tetramethyldiaminodiphenylmethan|30135-64-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020869 https://doi.org/10.22427/NTP-DATA-DTXSID5020869
ERPathway2016 ERPathway2016_275 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1 DTXSID5020869 ER Pathway Model, Antagonist Call Active Unitless CN(C)C1=CC=C(CC2=CC=C(C=C2)N(C)C)C=C1 4,4'-Methylenebis(N,N-dimethylaniline) 101-61-1|4,4'-Methylenebis(N,N-dimethylaniline)|(4,4'-Tetramethyl)diaminodiphenylmethane|4,4'-(Dimethylamino)diphenylmethane|4,4'-Bis(dimethylamino)diphenylmethane|4,4'-Methylenebis(N,N-dimethyl)benzenamine|BAZE michlerova|Bis-(4-dimethylaminophenyl)methane|Bis(4-(dimethylamino)phenyl)methane|Bis(4-(N,N-dimethylamino)phenyl)methane|Bis(p-(N,N-dimethylamino)phenyl)methane|Bis(p-dimethylamino)diphenylmethane|Bis(p-dimethylaminophenyl)methane|Diphenylmethane, tetramethyldiamino-|EINECS 202-959-2|Methane base|Methane, bis(p-(dimethylamino)phenyl)-|Methanediamine, tetramethyl-N,N'-diphenyl-|Methylene base|Michler's base|Michler's hydride|Michler's ketone, reduced|Michler's methane|N,N,N'N'-Tetramethyl-4,4'-diaminodiphenylmethane|N,N,N'N'-Tetramethyl-p,p'-diaminodiphenylmethane|N,N'-Tetramethyldiaminodiphenylmethane|NCI-C01990|NSC 36782|p,p-Dimethylaminodiphenylmethane|p,p-Tetramethyldiaminodiphenylmethane|p,p'-Bis(dimethylamino)diphenylmethane|p,p'-Bis(N,N-dimethylaminophenyl)methane|Reduced Michler's ketone|Tetra-base|Tetrabase|Tetramethyldiaminodiphenylmethan|30135-64-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020869 https://doi.org/10.22427/NTP-DATA-DTXSID5020869
ARPathway2016 ARPathway2016_296 4,4'-Methylenebis(o-toluidine) 838-88-0 DTXSID5020867 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 22.9383639917251 uM CC1=C(N)C=CC(CC2=CC(C)=C(N)C=C2)=C1 4,4'-Methylenebis(o-toluidine) 838-88-0|4,4'-Methylenebis(o-toluidine)|2,2'-Dimethyl-4,4'-methylenedianiline|3-13-00-00496|3,3'-Dimethyl-4,4'-diaminodiphenylmethane|4,4'-Diamino-3,3'-dimethyldiphenylmethane|4,4'-Methylene bis(2-methylaniline)|4,4'-Methylene di-o-toluidine|4,4'-Methylenebis(2-methylaniline)|4,4'-Methylenebis(2-methylbenzenamine)|4,4'-Methylenebis(o-toluidine)|Benzenamine, 4,4'-methylenebis[2-methyl-|Bis-4-amino-3-methylfenylmethan|Bis(3-methyl-4-aminophenyl)methane|Bis(4-amino-3-methylphenyl)methane|BRN 0398069|EINECS 212-658-8|Methane, bis(4-amino-3-methylphenyl)-|NSC 37146|o-Toluidine, 4,4'-methylenedi-|o-Toluidine,4,4'-methylenedi-|54649-88-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020867
ARPathway2016 ARPathway2016_296 4,4'-Methylenebis(o-toluidine) 838-88-0 DTXSID5020867 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 44.96167524 uM CC1=C(N)C=CC(CC2=CC(C)=C(N)C=C2)=C1 4,4'-Methylenebis(o-toluidine) 838-88-0|4,4'-Methylenebis(o-toluidine)|2,2'-Dimethyl-4,4'-methylenedianiline|3-13-00-00496|3,3'-Dimethyl-4,4'-diaminodiphenylmethane|4,4'-Diamino-3,3'-dimethyldiphenylmethane|4,4'-Methylene bis(2-methylaniline)|4,4'-Methylene di-o-toluidine|4,4'-Methylenebis(2-methylaniline)|4,4'-Methylenebis(2-methylbenzenamine)|4,4'-Methylenebis(o-toluidine)|Benzenamine, 4,4'-methylenebis[2-methyl-|Bis-4-amino-3-methylfenylmethan|Bis(3-methyl-4-aminophenyl)methane|Bis(4-amino-3-methylphenyl)methane|BRN 0398069|EINECS 212-658-8|Methane, bis(4-amino-3-methylphenyl)-|NSC 37146|o-Toluidine, 4,4'-methylenedi-|o-Toluidine,4,4'-methylenedi-|54649-88-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020867
ARPathway2016 ARPathway2016_296 4,4'-Methylenebis(o-toluidine) 838-88-0 DTXSID5020867 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.067 Unitless CC1=C(N)C=CC(CC2=CC(C)=C(N)C=C2)=C1 4,4'-Methylenebis(o-toluidine) 838-88-0|4,4'-Methylenebis(o-toluidine)|2,2'-Dimethyl-4,4'-methylenedianiline|3-13-00-00496|3,3'-Dimethyl-4,4'-diaminodiphenylmethane|4,4'-Diamino-3,3'-dimethyldiphenylmethane|4,4'-Methylene bis(2-methylaniline)|4,4'-Methylene di-o-toluidine|4,4'-Methylenebis(2-methylaniline)|4,4'-Methylenebis(2-methylbenzenamine)|4,4'-Methylenebis(o-toluidine)|Benzenamine, 4,4'-methylenebis[2-methyl-|Bis-4-amino-3-methylfenylmethan|Bis(3-methyl-4-aminophenyl)methane|Bis(4-amino-3-methylphenyl)methane|BRN 0398069|EINECS 212-658-8|Methane, bis(4-amino-3-methylphenyl)-|NSC 37146|o-Toluidine, 4,4'-methylenedi-|o-Toluidine,4,4'-methylenedi-|54649-88-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020867
ARPathway2016 ARPathway2016_296 4,4'-Methylenebis(o-toluidine) 838-88-0 DTXSID5020867 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(N)C=CC(CC2=CC(C)=C(N)C=C2)=C1 4,4'-Methylenebis(o-toluidine) 838-88-0|4,4'-Methylenebis(o-toluidine)|2,2'-Dimethyl-4,4'-methylenedianiline|3-13-00-00496|3,3'-Dimethyl-4,4'-diaminodiphenylmethane|4,4'-Diamino-3,3'-dimethyldiphenylmethane|4,4'-Methylene bis(2-methylaniline)|4,4'-Methylene di-o-toluidine|4,4'-Methylenebis(2-methylaniline)|4,4'-Methylenebis(2-methylbenzenamine)|4,4'-Methylenebis(o-toluidine)|Benzenamine, 4,4'-methylenebis[2-methyl-|Bis-4-amino-3-methylfenylmethan|Bis(3-methyl-4-aminophenyl)methane|Bis(4-amino-3-methylphenyl)methane|BRN 0398069|EINECS 212-658-8|Methane, bis(4-amino-3-methylphenyl)-|NSC 37146|o-Toluidine, 4,4'-methylenedi-|o-Toluidine,4,4'-methylenedi-|54649-88-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020867
ARPathway2016 ARPathway2016_296 4,4'-Methylenebis(o-toluidine) 838-88-0 DTXSID5020867 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC1=C(N)C=CC(CC2=CC(C)=C(N)C=C2)=C1 4,4'-Methylenebis(o-toluidine) 838-88-0|4,4'-Methylenebis(o-toluidine)|2,2'-Dimethyl-4,4'-methylenedianiline|3-13-00-00496|3,3'-Dimethyl-4,4'-diaminodiphenylmethane|4,4'-Diamino-3,3'-dimethyldiphenylmethane|4,4'-Methylene bis(2-methylaniline)|4,4'-Methylene di-o-toluidine|4,4'-Methylenebis(2-methylaniline)|4,4'-Methylenebis(2-methylbenzenamine)|4,4'-Methylenebis(o-toluidine)|Benzenamine, 4,4'-methylenebis[2-methyl-|Bis-4-amino-3-methylfenylmethan|Bis(3-methyl-4-aminophenyl)methane|Bis(4-amino-3-methylphenyl)methane|BRN 0398069|EINECS 212-658-8|Methane, bis(4-amino-3-methylphenyl)-|NSC 37146|o-Toluidine, 4,4'-methylenedi-|o-Toluidine,4,4'-methylenedi-|54649-88-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020867
ARPathway2016 ARPathway2016_296 4,4'-Methylenebis(o-toluidine) 838-88-0 DTXSID5020867 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(N)C=CC(CC2=CC(C)=C(N)C=C2)=C1 4,4'-Methylenebis(o-toluidine) 838-88-0|4,4'-Methylenebis(o-toluidine)|2,2'-Dimethyl-4,4'-methylenedianiline|3-13-00-00496|3,3'-Dimethyl-4,4'-diaminodiphenylmethane|4,4'-Diamino-3,3'-dimethyldiphenylmethane|4,4'-Methylene bis(2-methylaniline)|4,4'-Methylene di-o-toluidine|4,4'-Methylenebis(2-methylaniline)|4,4'-Methylenebis(2-methylbenzenamine)|4,4'-Methylenebis(o-toluidine)|Benzenamine, 4,4'-methylenebis[2-methyl-|Bis-4-amino-3-methylfenylmethan|Bis(3-methyl-4-aminophenyl)methane|Bis(4-amino-3-methylphenyl)methane|BRN 0398069|EINECS 212-658-8|Methane, bis(4-amino-3-methylphenyl)-|NSC 37146|o-Toluidine, 4,4'-methylenedi-|o-Toluidine,4,4'-methylenedi-|54649-88-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020867
ERPathway2016 ERPathway2016_282 4,4'-Methylenebis(o-toluidine) 838-88-0 DTXSID5020867 ER Pathway Model, Antagonist AC50 56.7969348294023 uM CC1=C(N)C=CC(CC2=CC(C)=C(N)C=C2)=C1 4,4'-Methylenebis(o-toluidine) 838-88-0|4,4'-Methylenebis(o-toluidine)|2,2'-Dimethyl-4,4'-methylenedianiline|3-13-00-00496|3,3'-Dimethyl-4,4'-diaminodiphenylmethane|4,4'-Diamino-3,3'-dimethyldiphenylmethane|4,4'-Methylene bis(2-methylaniline)|4,4'-Methylene di-o-toluidine|4,4'-Methylenebis(2-methylaniline)|4,4'-Methylenebis(2-methylbenzenamine)|4,4'-Methylenebis(o-toluidine)|Benzenamine, 4,4'-methylenebis[2-methyl-|Bis-4-amino-3-methylfenylmethan|Bis(3-methyl-4-aminophenyl)methane|Bis(4-amino-3-methylphenyl)methane|BRN 0398069|EINECS 212-658-8|Methane, bis(4-amino-3-methylphenyl)-|NSC 37146|o-Toluidine, 4,4'-methylenedi-|o-Toluidine,4,4'-methylenedi-|54649-88-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020867
ERPathway2016 ERPathway2016_282 4,4'-Methylenebis(o-toluidine) 838-88-0 DTXSID5020867 ER Pathway Model, Antagonist ACC 30.2961211329568 uM CC1=C(N)C=CC(CC2=CC(C)=C(N)C=C2)=C1 4,4'-Methylenebis(o-toluidine) 838-88-0|4,4'-Methylenebis(o-toluidine)|2,2'-Dimethyl-4,4'-methylenedianiline|3-13-00-00496|3,3'-Dimethyl-4,4'-diaminodiphenylmethane|4,4'-Diamino-3,3'-dimethyldiphenylmethane|4,4'-Methylene bis(2-methylaniline)|4,4'-Methylene di-o-toluidine|4,4'-Methylenebis(2-methylaniline)|4,4'-Methylenebis(2-methylbenzenamine)|4,4'-Methylenebis(o-toluidine)|Benzenamine, 4,4'-methylenebis[2-methyl-|Bis-4-amino-3-methylfenylmethan|Bis(3-methyl-4-aminophenyl)methane|Bis(4-amino-3-methylphenyl)methane|BRN 0398069|EINECS 212-658-8|Methane, bis(4-amino-3-methylphenyl)-|NSC 37146|o-Toluidine, 4,4'-methylenedi-|o-Toluidine,4,4'-methylenedi-|54649-88-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020867
ERPathway2016 ERPathway2016_282 4,4'-Methylenebis(o-toluidine) 838-88-0 DTXSID5020867 ER Pathway Model, Agonist Model Score 0.0458 Unitless CC1=C(N)C=CC(CC2=CC(C)=C(N)C=C2)=C1 4,4'-Methylenebis(o-toluidine) 838-88-0|4,4'-Methylenebis(o-toluidine)|2,2'-Dimethyl-4,4'-methylenedianiline|3-13-00-00496|3,3'-Dimethyl-4,4'-diaminodiphenylmethane|4,4'-Diamino-3,3'-dimethyldiphenylmethane|4,4'-Methylene bis(2-methylaniline)|4,4'-Methylene di-o-toluidine|4,4'-Methylenebis(2-methylaniline)|4,4'-Methylenebis(2-methylbenzenamine)|4,4'-Methylenebis(o-toluidine)|Benzenamine, 4,4'-methylenebis[2-methyl-|Bis-4-amino-3-methylfenylmethan|Bis(3-methyl-4-aminophenyl)methane|Bis(4-amino-3-methylphenyl)methane|BRN 0398069|EINECS 212-658-8|Methane, bis(4-amino-3-methylphenyl)-|NSC 37146|o-Toluidine, 4,4'-methylenedi-|o-Toluidine,4,4'-methylenedi-|54649-88-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020867
ERPathway2016 ERPathway2016_282 4,4'-Methylenebis(o-toluidine) 838-88-0 DTXSID5020867 ER Pathway Model, Antagonist Model Score 0.0113 Unitless CC1=C(N)C=CC(CC2=CC(C)=C(N)C=C2)=C1 4,4'-Methylenebis(o-toluidine) 838-88-0|4,4'-Methylenebis(o-toluidine)|2,2'-Dimethyl-4,4'-methylenedianiline|3-13-00-00496|3,3'-Dimethyl-4,4'-diaminodiphenylmethane|4,4'-Diamino-3,3'-dimethyldiphenylmethane|4,4'-Methylene bis(2-methylaniline)|4,4'-Methylene di-o-toluidine|4,4'-Methylenebis(2-methylaniline)|4,4'-Methylenebis(2-methylbenzenamine)|4,4'-Methylenebis(o-toluidine)|Benzenamine, 4,4'-methylenebis[2-methyl-|Bis-4-amino-3-methylfenylmethan|Bis(3-methyl-4-aminophenyl)methane|Bis(4-amino-3-methylphenyl)methane|BRN 0398069|EINECS 212-658-8|Methane, bis(4-amino-3-methylphenyl)-|NSC 37146|o-Toluidine, 4,4'-methylenedi-|o-Toluidine,4,4'-methylenedi-|54649-88-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020867
ERPathway2016 ERPathway2016_282 4,4'-Methylenebis(o-toluidine) 838-88-0 DTXSID5020867 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(N)C=CC(CC2=CC(C)=C(N)C=C2)=C1 4,4'-Methylenebis(o-toluidine) 838-88-0|4,4'-Methylenebis(o-toluidine)|2,2'-Dimethyl-4,4'-methylenedianiline|3-13-00-00496|3,3'-Dimethyl-4,4'-diaminodiphenylmethane|4,4'-Diamino-3,3'-dimethyldiphenylmethane|4,4'-Methylene bis(2-methylaniline)|4,4'-Methylene di-o-toluidine|4,4'-Methylenebis(2-methylaniline)|4,4'-Methylenebis(2-methylbenzenamine)|4,4'-Methylenebis(o-toluidine)|Benzenamine, 4,4'-methylenebis[2-methyl-|Bis-4-amino-3-methylfenylmethan|Bis(3-methyl-4-aminophenyl)methane|Bis(4-amino-3-methylphenyl)methane|BRN 0398069|EINECS 212-658-8|Methane, bis(4-amino-3-methylphenyl)-|NSC 37146|o-Toluidine, 4,4'-methylenedi-|o-Toluidine,4,4'-methylenedi-|54649-88-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020867
ERPathway2016 ERPathway2016_282 4,4'-Methylenebis(o-toluidine) 838-88-0 DTXSID5020867 ER Pathway Model, Antagonist Call Active Unitless CC1=C(N)C=CC(CC2=CC(C)=C(N)C=C2)=C1 4,4'-Methylenebis(o-toluidine) 838-88-0|4,4'-Methylenebis(o-toluidine)|2,2'-Dimethyl-4,4'-methylenedianiline|3-13-00-00496|3,3'-Dimethyl-4,4'-diaminodiphenylmethane|4,4'-Diamino-3,3'-dimethyldiphenylmethane|4,4'-Methylene bis(2-methylaniline)|4,4'-Methylene di-o-toluidine|4,4'-Methylenebis(2-methylaniline)|4,4'-Methylenebis(2-methylbenzenamine)|4,4'-Methylenebis(o-toluidine)|Benzenamine, 4,4'-methylenebis[2-methyl-|Bis-4-amino-3-methylfenylmethan|Bis(3-methyl-4-aminophenyl)methane|Bis(4-amino-3-methylphenyl)methane|BRN 0398069|EINECS 212-658-8|Methane, bis(4-amino-3-methylphenyl)-|NSC 37146|o-Toluidine, 4,4'-methylenedi-|o-Toluidine,4,4'-methylenedi-|54649-88-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020867
ARPathway2016 ARPathway2016_417 4,4'-Oxydianiline 101-80-4 DTXSID0021094 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(OC2=CC=C(N)C=C2)C=C1 4,4'-Oxydianiline 101-80-4|4,4'-Oxydianiline|4-(4-Aminophenoxy)phenylamine|4-Aminophenyl ether|4,4-Diaminodiphenyl ether|4,4-Oxydianiline|4,4'-Diaminobiphenyl ether|4,4'-Diaminobiphenyl oxide|4,4'-Diaminobiphenyloxide|4,4'-Diaminodiphenyl ether|4,4'-Diaminodiphenyl ether (4,4'-Oxydianiline)|4,4'-Diaminodiphenyl oxide|4,4'-Diaminodiphenylether|4,4'-Diaminophenyl ether|4,4'-Diaminophenyl oxide|4,4'-oxidianilina|4,4'-Oxybis(aniline)|4,4'-Oxybis[benzenamine]|4,4'-Oxybisaniline|4,4'-Oxybisbenzenamine|4,4'-Oxydianilin|4,4'-Oxydiphenylamine|ANILINE, 4,4'-OXYDI-|Benzenamine, 4,4'-oxybis-|Bis(4-aminophenyl) ether|Bis(4-aminophenyl)ether|Bis(p-aminophenyl) ether|Bis(p-aminophenyl)ether|BRN 0475735|Diaminodiphenyl ether|EINECS 202-977-0|Ether, 4,4'-diaminodiphenyl|ETHER, 4,4'-DIAMINOPHENYL-|NCI-C50146|NSC 37075|NSC 6089|Oxybis(4-aminobenzene)|Oxydi-p-phenylenediamine|Oxydianiline|p-Aminophenyl ether|p,p'-Diaminodiphenyl ether|p,p'-Oxybis(aniline)|p,p'-Oxybis[aniline]|p,p'-Oxydianiline|UNII-28DLB4Z70T|121509-79-3|928208-61-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021094 https://doi.org/10.22427/NTP-DATA-DTXSID0021094
ARPathway2016 ARPathway2016_417 4,4'-Oxydianiline 101-80-4 DTXSID0021094 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=CC=C(OC2=CC=C(N)C=C2)C=C1 4,4'-Oxydianiline 101-80-4|4,4'-Oxydianiline|4-(4-Aminophenoxy)phenylamine|4-Aminophenyl ether|4,4-Diaminodiphenyl ether|4,4-Oxydianiline|4,4'-Diaminobiphenyl ether|4,4'-Diaminobiphenyl oxide|4,4'-Diaminobiphenyloxide|4,4'-Diaminodiphenyl ether|4,4'-Diaminodiphenyl ether (4,4'-Oxydianiline)|4,4'-Diaminodiphenyl oxide|4,4'-Diaminodiphenylether|4,4'-Diaminophenyl ether|4,4'-Diaminophenyl oxide|4,4'-oxidianilina|4,4'-Oxybis(aniline)|4,4'-Oxybis[benzenamine]|4,4'-Oxybisaniline|4,4'-Oxybisbenzenamine|4,4'-Oxydianilin|4,4'-Oxydiphenylamine|ANILINE, 4,4'-OXYDI-|Benzenamine, 4,4'-oxybis-|Bis(4-aminophenyl) ether|Bis(4-aminophenyl)ether|Bis(p-aminophenyl) ether|Bis(p-aminophenyl)ether|BRN 0475735|Diaminodiphenyl ether|EINECS 202-977-0|Ether, 4,4'-diaminodiphenyl|ETHER, 4,4'-DIAMINOPHENYL-|NCI-C50146|NSC 37075|NSC 6089|Oxybis(4-aminobenzene)|Oxydi-p-phenylenediamine|Oxydianiline|p-Aminophenyl ether|p,p'-Diaminodiphenyl ether|p,p'-Oxybis(aniline)|p,p'-Oxybis[aniline]|p,p'-Oxydianiline|UNII-28DLB4Z70T|121509-79-3|928208-61-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021094 https://doi.org/10.22427/NTP-DATA-DTXSID0021094
ARPathway2016 ARPathway2016_417 4,4'-Oxydianiline 101-80-4 DTXSID0021094 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC=C(OC2=CC=C(N)C=C2)C=C1 4,4'-Oxydianiline 101-80-4|4,4'-Oxydianiline|4-(4-Aminophenoxy)phenylamine|4-Aminophenyl ether|4,4-Diaminodiphenyl ether|4,4-Oxydianiline|4,4'-Diaminobiphenyl ether|4,4'-Diaminobiphenyl oxide|4,4'-Diaminobiphenyloxide|4,4'-Diaminodiphenyl ether|4,4'-Diaminodiphenyl ether (4,4'-Oxydianiline)|4,4'-Diaminodiphenyl oxide|4,4'-Diaminodiphenylether|4,4'-Diaminophenyl ether|4,4'-Diaminophenyl oxide|4,4'-oxidianilina|4,4'-Oxybis(aniline)|4,4'-Oxybis[benzenamine]|4,4'-Oxybisaniline|4,4'-Oxybisbenzenamine|4,4'-Oxydianilin|4,4'-Oxydiphenylamine|ANILINE, 4,4'-OXYDI-|Benzenamine, 4,4'-oxybis-|Bis(4-aminophenyl) ether|Bis(4-aminophenyl)ether|Bis(p-aminophenyl) ether|Bis(p-aminophenyl)ether|BRN 0475735|Diaminodiphenyl ether|EINECS 202-977-0|Ether, 4,4'-diaminodiphenyl|ETHER, 4,4'-DIAMINOPHENYL-|NCI-C50146|NSC 37075|NSC 6089|Oxybis(4-aminobenzene)|Oxydi-p-phenylenediamine|Oxydianiline|p-Aminophenyl ether|p,p'-Diaminodiphenyl ether|p,p'-Oxybis(aniline)|p,p'-Oxybis[aniline]|p,p'-Oxydianiline|UNII-28DLB4Z70T|121509-79-3|928208-61-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021094 https://doi.org/10.22427/NTP-DATA-DTXSID0021094
ARPathway2016 ARPathway2016_417 4,4'-Oxydianiline 101-80-4 DTXSID0021094 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(OC2=CC=C(N)C=C2)C=C1 4,4'-Oxydianiline 101-80-4|4,4'-Oxydianiline|4-(4-Aminophenoxy)phenylamine|4-Aminophenyl ether|4,4-Diaminodiphenyl ether|4,4-Oxydianiline|4,4'-Diaminobiphenyl ether|4,4'-Diaminobiphenyl oxide|4,4'-Diaminobiphenyloxide|4,4'-Diaminodiphenyl ether|4,4'-Diaminodiphenyl ether (4,4'-Oxydianiline)|4,4'-Diaminodiphenyl oxide|4,4'-Diaminodiphenylether|4,4'-Diaminophenyl ether|4,4'-Diaminophenyl oxide|4,4'-oxidianilina|4,4'-Oxybis(aniline)|4,4'-Oxybis[benzenamine]|4,4'-Oxybisaniline|4,4'-Oxybisbenzenamine|4,4'-Oxydianilin|4,4'-Oxydiphenylamine|ANILINE, 4,4'-OXYDI-|Benzenamine, 4,4'-oxybis-|Bis(4-aminophenyl) ether|Bis(4-aminophenyl)ether|Bis(p-aminophenyl) ether|Bis(p-aminophenyl)ether|BRN 0475735|Diaminodiphenyl ether|EINECS 202-977-0|Ether, 4,4'-diaminodiphenyl|ETHER, 4,4'-DIAMINOPHENYL-|NCI-C50146|NSC 37075|NSC 6089|Oxybis(4-aminobenzene)|Oxydi-p-phenylenediamine|Oxydianiline|p-Aminophenyl ether|p,p'-Diaminodiphenyl ether|p,p'-Oxybis(aniline)|p,p'-Oxybis[aniline]|p,p'-Oxydianiline|UNII-28DLB4Z70T|121509-79-3|928208-61-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021094 https://doi.org/10.22427/NTP-DATA-DTXSID0021094
ERPathway2016 ERPathway2016_449 4,4'-Oxydianiline 101-80-4 DTXSID0021094 ER Pathway Model, Antagonist AC50 58.7505297732142 uM NC1=CC=C(OC2=CC=C(N)C=C2)C=C1 4,4'-Oxydianiline 101-80-4|4,4'-Oxydianiline|4-(4-Aminophenoxy)phenylamine|4-Aminophenyl ether|4,4-Diaminodiphenyl ether|4,4-Oxydianiline|4,4'-Diaminobiphenyl ether|4,4'-Diaminobiphenyl oxide|4,4'-Diaminobiphenyloxide|4,4'-Diaminodiphenyl ether|4,4'-Diaminodiphenyl ether (4,4'-Oxydianiline)|4,4'-Diaminodiphenyl oxide|4,4'-Diaminodiphenylether|4,4'-Diaminophenyl ether|4,4'-Diaminophenyl oxide|4,4'-oxidianilina|4,4'-Oxybis(aniline)|4,4'-Oxybis[benzenamine]|4,4'-Oxybisaniline|4,4'-Oxybisbenzenamine|4,4'-Oxydianilin|4,4'-Oxydiphenylamine|ANILINE, 4,4'-OXYDI-|Benzenamine, 4,4'-oxybis-|Bis(4-aminophenyl) ether|Bis(4-aminophenyl)ether|Bis(p-aminophenyl) ether|Bis(p-aminophenyl)ether|BRN 0475735|Diaminodiphenyl ether|EINECS 202-977-0|Ether, 4,4'-diaminodiphenyl|ETHER, 4,4'-DIAMINOPHENYL-|NCI-C50146|NSC 37075|NSC 6089|Oxybis(4-aminobenzene)|Oxydi-p-phenylenediamine|Oxydianiline|p-Aminophenyl ether|p,p'-Diaminodiphenyl ether|p,p'-Oxybis(aniline)|p,p'-Oxybis[aniline]|p,p'-Oxydianiline|UNII-28DLB4Z70T|121509-79-3|928208-61-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021094 https://doi.org/10.22427/NTP-DATA-DTXSID0021094
ERPathway2016 ERPathway2016_449 4,4'-Oxydianiline 101-80-4 DTXSID0021094 ER Pathway Model, Antagonist ACC 48.6288702325045 uM NC1=CC=C(OC2=CC=C(N)C=C2)C=C1 4,4'-Oxydianiline 101-80-4|4,4'-Oxydianiline|4-(4-Aminophenoxy)phenylamine|4-Aminophenyl ether|4,4-Diaminodiphenyl ether|4,4-Oxydianiline|4,4'-Diaminobiphenyl ether|4,4'-Diaminobiphenyl oxide|4,4'-Diaminobiphenyloxide|4,4'-Diaminodiphenyl ether|4,4'-Diaminodiphenyl ether (4,4'-Oxydianiline)|4,4'-Diaminodiphenyl oxide|4,4'-Diaminodiphenylether|4,4'-Diaminophenyl ether|4,4'-Diaminophenyl oxide|4,4'-oxidianilina|4,4'-Oxybis(aniline)|4,4'-Oxybis[benzenamine]|4,4'-Oxybisaniline|4,4'-Oxybisbenzenamine|4,4'-Oxydianilin|4,4'-Oxydiphenylamine|ANILINE, 4,4'-OXYDI-|Benzenamine, 4,4'-oxybis-|Bis(4-aminophenyl) ether|Bis(4-aminophenyl)ether|Bis(p-aminophenyl) ether|Bis(p-aminophenyl)ether|BRN 0475735|Diaminodiphenyl ether|EINECS 202-977-0|Ether, 4,4'-diaminodiphenyl|ETHER, 4,4'-DIAMINOPHENYL-|NCI-C50146|NSC 37075|NSC 6089|Oxybis(4-aminobenzene)|Oxydi-p-phenylenediamine|Oxydianiline|p-Aminophenyl ether|p,p'-Diaminodiphenyl ether|p,p'-Oxybis(aniline)|p,p'-Oxybis[aniline]|p,p'-Oxydianiline|UNII-28DLB4Z70T|121509-79-3|928208-61-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021094 https://doi.org/10.22427/NTP-DATA-DTXSID0021094
ERPathway2016 ERPathway2016_449 4,4'-Oxydianiline 101-80-4 DTXSID0021094 ER Pathway Model, Agonist Model Score 0.00457 Unitless NC1=CC=C(OC2=CC=C(N)C=C2)C=C1 4,4'-Oxydianiline 101-80-4|4,4'-Oxydianiline|4-(4-Aminophenoxy)phenylamine|4-Aminophenyl ether|4,4-Diaminodiphenyl ether|4,4-Oxydianiline|4,4'-Diaminobiphenyl ether|4,4'-Diaminobiphenyl oxide|4,4'-Diaminobiphenyloxide|4,4'-Diaminodiphenyl ether|4,4'-Diaminodiphenyl ether (4,4'-Oxydianiline)|4,4'-Diaminodiphenyl oxide|4,4'-Diaminodiphenylether|4,4'-Diaminophenyl ether|4,4'-Diaminophenyl oxide|4,4'-oxidianilina|4,4'-Oxybis(aniline)|4,4'-Oxybis[benzenamine]|4,4'-Oxybisaniline|4,4'-Oxybisbenzenamine|4,4'-Oxydianilin|4,4'-Oxydiphenylamine|ANILINE, 4,4'-OXYDI-|Benzenamine, 4,4'-oxybis-|Bis(4-aminophenyl) ether|Bis(4-aminophenyl)ether|Bis(p-aminophenyl) ether|Bis(p-aminophenyl)ether|BRN 0475735|Diaminodiphenyl ether|EINECS 202-977-0|Ether, 4,4'-diaminodiphenyl|ETHER, 4,4'-DIAMINOPHENYL-|NCI-C50146|NSC 37075|NSC 6089|Oxybis(4-aminobenzene)|Oxydi-p-phenylenediamine|Oxydianiline|p-Aminophenyl ether|p,p'-Diaminodiphenyl ether|p,p'-Oxybis(aniline)|p,p'-Oxybis[aniline]|p,p'-Oxydianiline|UNII-28DLB4Z70T|121509-79-3|928208-61-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021094 https://doi.org/10.22427/NTP-DATA-DTXSID0021094
ERPathway2016 ERPathway2016_449 4,4'-Oxydianiline 101-80-4 DTXSID0021094 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(OC2=CC=C(N)C=C2)C=C1 4,4'-Oxydianiline 101-80-4|4,4'-Oxydianiline|4-(4-Aminophenoxy)phenylamine|4-Aminophenyl ether|4,4-Diaminodiphenyl ether|4,4-Oxydianiline|4,4'-Diaminobiphenyl ether|4,4'-Diaminobiphenyl oxide|4,4'-Diaminobiphenyloxide|4,4'-Diaminodiphenyl ether|4,4'-Diaminodiphenyl ether (4,4'-Oxydianiline)|4,4'-Diaminodiphenyl oxide|4,4'-Diaminodiphenylether|4,4'-Diaminophenyl ether|4,4'-Diaminophenyl oxide|4,4'-oxidianilina|4,4'-Oxybis(aniline)|4,4'-Oxybis[benzenamine]|4,4'-Oxybisaniline|4,4'-Oxybisbenzenamine|4,4'-Oxydianilin|4,4'-Oxydiphenylamine|ANILINE, 4,4'-OXYDI-|Benzenamine, 4,4'-oxybis-|Bis(4-aminophenyl) ether|Bis(4-aminophenyl)ether|Bis(p-aminophenyl) ether|Bis(p-aminophenyl)ether|BRN 0475735|Diaminodiphenyl ether|EINECS 202-977-0|Ether, 4,4'-diaminodiphenyl|ETHER, 4,4'-DIAMINOPHENYL-|NCI-C50146|NSC 37075|NSC 6089|Oxybis(4-aminobenzene)|Oxydi-p-phenylenediamine|Oxydianiline|p-Aminophenyl ether|p,p'-Diaminodiphenyl ether|p,p'-Oxybis(aniline)|p,p'-Oxybis[aniline]|p,p'-Oxydianiline|UNII-28DLB4Z70T|121509-79-3|928208-61-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021094 https://doi.org/10.22427/NTP-DATA-DTXSID0021094
ERPathway2016 ERPathway2016_449 4,4'-Oxydianiline 101-80-4 DTXSID0021094 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(OC2=CC=C(N)C=C2)C=C1 4,4'-Oxydianiline 101-80-4|4,4'-Oxydianiline|4-(4-Aminophenoxy)phenylamine|4-Aminophenyl ether|4,4-Diaminodiphenyl ether|4,4-Oxydianiline|4,4'-Diaminobiphenyl ether|4,4'-Diaminobiphenyl oxide|4,4'-Diaminobiphenyloxide|4,4'-Diaminodiphenyl ether|4,4'-Diaminodiphenyl ether (4,4'-Oxydianiline)|4,4'-Diaminodiphenyl oxide|4,4'-Diaminodiphenylether|4,4'-Diaminophenyl ether|4,4'-Diaminophenyl oxide|4,4'-oxidianilina|4,4'-Oxybis(aniline)|4,4'-Oxybis[benzenamine]|4,4'-Oxybisaniline|4,4'-Oxybisbenzenamine|4,4'-Oxydianilin|4,4'-Oxydiphenylamine|ANILINE, 4,4'-OXYDI-|Benzenamine, 4,4'-oxybis-|Bis(4-aminophenyl) ether|Bis(4-aminophenyl)ether|Bis(p-aminophenyl) ether|Bis(p-aminophenyl)ether|BRN 0475735|Diaminodiphenyl ether|EINECS 202-977-0|Ether, 4,4'-diaminodiphenyl|ETHER, 4,4'-DIAMINOPHENYL-|NCI-C50146|NSC 37075|NSC 6089|Oxybis(4-aminobenzene)|Oxydi-p-phenylenediamine|Oxydianiline|p-Aminophenyl ether|p,p'-Diaminodiphenyl ether|p,p'-Oxybis(aniline)|p,p'-Oxybis[aniline]|p,p'-Oxydianiline|UNII-28DLB4Z70T|121509-79-3|928208-61-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021094 https://doi.org/10.22427/NTP-DATA-DTXSID0021094
ERPathway2016 ERPathway2016_449 4,4'-Oxydianiline 101-80-4 DTXSID0021094 ER Pathway Model, Antagonist Call Active Unitless NC1=CC=C(OC2=CC=C(N)C=C2)C=C1 4,4'-Oxydianiline 101-80-4|4,4'-Oxydianiline|4-(4-Aminophenoxy)phenylamine|4-Aminophenyl ether|4,4-Diaminodiphenyl ether|4,4-Oxydianiline|4,4'-Diaminobiphenyl ether|4,4'-Diaminobiphenyl oxide|4,4'-Diaminobiphenyloxide|4,4'-Diaminodiphenyl ether|4,4'-Diaminodiphenyl ether (4,4'-Oxydianiline)|4,4'-Diaminodiphenyl oxide|4,4'-Diaminodiphenylether|4,4'-Diaminophenyl ether|4,4'-Diaminophenyl oxide|4,4'-oxidianilina|4,4'-Oxybis(aniline)|4,4'-Oxybis[benzenamine]|4,4'-Oxybisaniline|4,4'-Oxybisbenzenamine|4,4'-Oxydianilin|4,4'-Oxydiphenylamine|ANILINE, 4,4'-OXYDI-|Benzenamine, 4,4'-oxybis-|Bis(4-aminophenyl) ether|Bis(4-aminophenyl)ether|Bis(p-aminophenyl) ether|Bis(p-aminophenyl)ether|BRN 0475735|Diaminodiphenyl ether|EINECS 202-977-0|Ether, 4,4'-diaminodiphenyl|ETHER, 4,4'-DIAMINOPHENYL-|NCI-C50146|NSC 37075|NSC 6089|Oxybis(4-aminobenzene)|Oxydi-p-phenylenediamine|Oxydianiline|p-Aminophenyl ether|p,p'-Diaminodiphenyl ether|p,p'-Oxybis(aniline)|p,p'-Oxybis[aniline]|p,p'-Oxydianiline|UNII-28DLB4Z70T|121509-79-3|928208-61-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021094 https://doi.org/10.22427/NTP-DATA-DTXSID0021094
ARPathway2016 ARPathway2016_173 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7 DTXSID9047598 FLAG: Wrong direction (Hit/No hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 32.5488291062522 uM OC1=C(CC=C)C=C(C=C1)S(=O)(=O)C1=CC(CC=C)=C(O)C=C1 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7|4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]|4-[4-hydroxy-3-(prop-2-en-1- yl)benzenesulfonyl]-2-(prop-2-en-1-yl)phenol|4,4'-Sulfonylbis[2-(2-propen-1-yl)phenol]|Phenol, 4,4'-sulfonylbis[2-(2-propen-1-yl)-|TGSA|118731-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047598
ARPathway2016 ARPathway2016_173 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7 DTXSID9047598 FLAG: Wrong direction (Hit/No hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 30.6391301415776 uM OC1=C(CC=C)C=C(C=C1)S(=O)(=O)C1=CC(CC=C)=C(O)C=C1 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7|4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]|4-[4-hydroxy-3-(prop-2-en-1- yl)benzenesulfonyl]-2-(prop-2-en-1-yl)phenol|4,4'-Sulfonylbis[2-(2-propen-1-yl)phenol]|Phenol, 4,4'-sulfonylbis[2-(2-propen-1-yl)-|TGSA|118731-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047598
ARPathway2016 ARPathway2016_173 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7 DTXSID9047598 FLAG: Wrong direction (Hit/No hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.213 Unitless OC1=C(CC=C)C=C(C=C1)S(=O)(=O)C1=CC(CC=C)=C(O)C=C1 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7|4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]|4-[4-hydroxy-3-(prop-2-en-1- yl)benzenesulfonyl]-2-(prop-2-en-1-yl)phenol|4,4'-Sulfonylbis[2-(2-propen-1-yl)phenol]|Phenol, 4,4'-sulfonylbis[2-(2-propen-1-yl)-|TGSA|118731-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047598
ARPathway2016 ARPathway2016_173 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7 DTXSID9047598 FLAG: Wrong direction (Hit/No hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC1=C(CC=C)C=C(C=C1)S(=O)(=O)C1=CC(CC=C)=C(O)C=C1 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7|4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]|4-[4-hydroxy-3-(prop-2-en-1- yl)benzenesulfonyl]-2-(prop-2-en-1-yl)phenol|4,4'-Sulfonylbis[2-(2-propen-1-yl)phenol]|Phenol, 4,4'-sulfonylbis[2-(2-propen-1-yl)-|TGSA|118731-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047598
ARPathway2016 ARPathway2016_173 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7 DTXSID9047598 FLAG: Wrong direction (Hit/No hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=C(CC=C)C=C(C=C1)S(=O)(=O)C1=CC(CC=C)=C(O)C=C1 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7|4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]|4-[4-hydroxy-3-(prop-2-en-1- yl)benzenesulfonyl]-2-(prop-2-en-1-yl)phenol|4,4'-Sulfonylbis[2-(2-propen-1-yl)phenol]|Phenol, 4,4'-sulfonylbis[2-(2-propen-1-yl)-|TGSA|118731-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047598
ARPathway2016 ARPathway2016_173 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7 DTXSID9047598 FLAG: Wrong direction (Hit/No hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(CC=C)C=C(C=C1)S(=O)(=O)C1=CC(CC=C)=C(O)C=C1 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7|4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]|4-[4-hydroxy-3-(prop-2-en-1- yl)benzenesulfonyl]-2-(prop-2-en-1-yl)phenol|4,4'-Sulfonylbis[2-(2-propen-1-yl)phenol]|Phenol, 4,4'-sulfonylbis[2-(2-propen-1-yl)-|TGSA|118731-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047598
ERPathway2016 ERPathway2016_8 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7 DTXSID9047598 ER Pathway Model, Agonist AC50 14.4035811874464 uM OC1=C(CC=C)C=C(C=C1)S(=O)(=O)C1=CC(CC=C)=C(O)C=C1 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7|4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]|4-[4-hydroxy-3-(prop-2-en-1- yl)benzenesulfonyl]-2-(prop-2-en-1-yl)phenol|4,4'-Sulfonylbis[2-(2-propen-1-yl)phenol]|Phenol, 4,4'-sulfonylbis[2-(2-propen-1-yl)-|TGSA|118731-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047598
ERPathway2016 ERPathway2016_8 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7 DTXSID9047598 ER Pathway Model, Agonist ACC 5.92186896556827 uM OC1=C(CC=C)C=C(C=C1)S(=O)(=O)C1=CC(CC=C)=C(O)C=C1 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7|4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]|4-[4-hydroxy-3-(prop-2-en-1- yl)benzenesulfonyl]-2-(prop-2-en-1-yl)phenol|4,4'-Sulfonylbis[2-(2-propen-1-yl)phenol]|Phenol, 4,4'-sulfonylbis[2-(2-propen-1-yl)-|TGSA|118731-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047598
ERPathway2016 ERPathway2016_8 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7 DTXSID9047598 ER Pathway Model, Agonist Model Score 0.0231 Unitless OC1=C(CC=C)C=C(C=C1)S(=O)(=O)C1=CC(CC=C)=C(O)C=C1 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7|4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]|4-[4-hydroxy-3-(prop-2-en-1- yl)benzenesulfonyl]-2-(prop-2-en-1-yl)phenol|4,4'-Sulfonylbis[2-(2-propen-1-yl)phenol]|Phenol, 4,4'-sulfonylbis[2-(2-propen-1-yl)-|TGSA|118731-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047598
ERPathway2016 ERPathway2016_8 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7 DTXSID9047598 ER Pathway Model, Antagonist Model Score 0.0449 Unitless OC1=C(CC=C)C=C(C=C1)S(=O)(=O)C1=CC(CC=C)=C(O)C=C1 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7|4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]|4-[4-hydroxy-3-(prop-2-en-1- yl)benzenesulfonyl]-2-(prop-2-en-1-yl)phenol|4,4'-Sulfonylbis[2-(2-propen-1-yl)phenol]|Phenol, 4,4'-sulfonylbis[2-(2-propen-1-yl)-|TGSA|118731-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047598
ERPathway2016 ERPathway2016_8 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7 DTXSID9047598 ER Pathway Model, Agonist Call Active Unitless OC1=C(CC=C)C=C(C=C1)S(=O)(=O)C1=CC(CC=C)=C(O)C=C1 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7|4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]|4-[4-hydroxy-3-(prop-2-en-1- yl)benzenesulfonyl]-2-(prop-2-en-1-yl)phenol|4,4'-Sulfonylbis[2-(2-propen-1-yl)phenol]|Phenol, 4,4'-sulfonylbis[2-(2-propen-1-yl)-|TGSA|118731-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047598
ERPathway2016 ERPathway2016_8 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7 DTXSID9047598 ER Pathway Model, Antagonist Call Inactive Unitless OC1=C(CC=C)C=C(C=C1)S(=O)(=O)C1=CC(CC=C)=C(O)C=C1 4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol] 41481-66-7|4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]|4-[4-hydroxy-3-(prop-2-en-1- yl)benzenesulfonyl]-2-(prop-2-en-1-yl)phenol|4,4'-Sulfonylbis[2-(2-propen-1-yl)phenol]|Phenol, 4,4'-sulfonylbis[2-(2-propen-1-yl)-|TGSA|118731-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047598
ARPathway2016 ARPathway2016_1600 4,4'-Sulfonyldiphenol 80-09-1 DTXSID3022409 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(O)C=C1 4,4'-Sulfonyldiphenol 80-09-1|4,4'-Sulfonyldiphenol|1,1'-Sulfonylbis(4-hydroxybenzene)|1,1'-Sulfonylbis[4-hydroxybenzene]|4-(4-Hydroxyphenylsulfonyl)phenol|4-06-00-05809|4-Hydroxyphenyl sulfone|4,4'-Bisphenol S|4,4'-Dihydroxydiphenyl sulfone|4,4'-sulfonildifenol|4,4'-Sulfonylbis[phenol]|4,4'-Sulfonylbisphenol|4,4'-sulphonyldiphenol|Bis(4-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl)sulfone|Bisphenol S|Bisphenol S sulfonic acid ester|BISPHENOL SULFONE|BPS|BPS 1|BPS-H|BPS-N|BPS-P|BRN 2052954|BS-PN|DHDPhS|Diphone A|Diphone C|Diphone D|Dynamar FC 5166|EINECS 201-250-5|NSC 683541|NSC 8712|p,p'-Dihydroxydiphenyl sulfone|Phenol, 4,4'-sulfonylbis-|Phenol, 4,4'-sulfonyldi-|UNII-3OX4RR782R|280144-23-2|98388-00-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022409 https://doi.org/10.22427/NTP-DATA-DTXSID3022409
ARPathway2016 ARPathway2016_1600 4,4'-Sulfonyldiphenol 80-09-1 DTXSID3022409 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(O)C=C1 4,4'-Sulfonyldiphenol 80-09-1|4,4'-Sulfonyldiphenol|1,1'-Sulfonylbis(4-hydroxybenzene)|1,1'-Sulfonylbis[4-hydroxybenzene]|4-(4-Hydroxyphenylsulfonyl)phenol|4-06-00-05809|4-Hydroxyphenyl sulfone|4,4'-Bisphenol S|4,4'-Dihydroxydiphenyl sulfone|4,4'-sulfonildifenol|4,4'-Sulfonylbis[phenol]|4,4'-Sulfonylbisphenol|4,4'-sulphonyldiphenol|Bis(4-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl)sulfone|Bisphenol S|Bisphenol S sulfonic acid ester|BISPHENOL SULFONE|BPS|BPS 1|BPS-H|BPS-N|BPS-P|BRN 2052954|BS-PN|DHDPhS|Diphone A|Diphone C|Diphone D|Dynamar FC 5166|EINECS 201-250-5|NSC 683541|NSC 8712|p,p'-Dihydroxydiphenyl sulfone|Phenol, 4,4'-sulfonylbis-|Phenol, 4,4'-sulfonyldi-|UNII-3OX4RR782R|280144-23-2|98388-00-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022409 https://doi.org/10.22427/NTP-DATA-DTXSID3022409
ARPathway2016 ARPathway2016_1600 4,4'-Sulfonyldiphenol 80-09-1 DTXSID3022409 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(O)C=C1 4,4'-Sulfonyldiphenol 80-09-1|4,4'-Sulfonyldiphenol|1,1'-Sulfonylbis(4-hydroxybenzene)|1,1'-Sulfonylbis[4-hydroxybenzene]|4-(4-Hydroxyphenylsulfonyl)phenol|4-06-00-05809|4-Hydroxyphenyl sulfone|4,4'-Bisphenol S|4,4'-Dihydroxydiphenyl sulfone|4,4'-sulfonildifenol|4,4'-Sulfonylbis[phenol]|4,4'-Sulfonylbisphenol|4,4'-sulphonyldiphenol|Bis(4-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl)sulfone|Bisphenol S|Bisphenol S sulfonic acid ester|BISPHENOL SULFONE|BPS|BPS 1|BPS-H|BPS-N|BPS-P|BRN 2052954|BS-PN|DHDPhS|Diphone A|Diphone C|Diphone D|Dynamar FC 5166|EINECS 201-250-5|NSC 683541|NSC 8712|p,p'-Dihydroxydiphenyl sulfone|Phenol, 4,4'-sulfonylbis-|Phenol, 4,4'-sulfonyldi-|UNII-3OX4RR782R|280144-23-2|98388-00-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022409 https://doi.org/10.22427/NTP-DATA-DTXSID3022409
ARPathway2016 ARPathway2016_1600 4,4'-Sulfonyldiphenol 80-09-1 DTXSID3022409 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(O)C=C1 4,4'-Sulfonyldiphenol 80-09-1|4,4'-Sulfonyldiphenol|1,1'-Sulfonylbis(4-hydroxybenzene)|1,1'-Sulfonylbis[4-hydroxybenzene]|4-(4-Hydroxyphenylsulfonyl)phenol|4-06-00-05809|4-Hydroxyphenyl sulfone|4,4'-Bisphenol S|4,4'-Dihydroxydiphenyl sulfone|4,4'-sulfonildifenol|4,4'-Sulfonylbis[phenol]|4,4'-Sulfonylbisphenol|4,4'-sulphonyldiphenol|Bis(4-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl)sulfone|Bisphenol S|Bisphenol S sulfonic acid ester|BISPHENOL SULFONE|BPS|BPS 1|BPS-H|BPS-N|BPS-P|BRN 2052954|BS-PN|DHDPhS|Diphone A|Diphone C|Diphone D|Dynamar FC 5166|EINECS 201-250-5|NSC 683541|NSC 8712|p,p'-Dihydroxydiphenyl sulfone|Phenol, 4,4'-sulfonylbis-|Phenol, 4,4'-sulfonyldi-|UNII-3OX4RR782R|280144-23-2|98388-00-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022409 https://doi.org/10.22427/NTP-DATA-DTXSID3022409
ERPathway2016 ERPathway2016_187 4,4'-Sulfonyldiphenol 80-09-1 DTXSID3022409 Agonist ER Pathway Model, Antagonist AC50 22.5167583417839 uM OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(O)C=C1 4,4'-Sulfonyldiphenol 80-09-1|4,4'-Sulfonyldiphenol|1,1'-Sulfonylbis(4-hydroxybenzene)|1,1'-Sulfonylbis[4-hydroxybenzene]|4-(4-Hydroxyphenylsulfonyl)phenol|4-06-00-05809|4-Hydroxyphenyl sulfone|4,4'-Bisphenol S|4,4'-Dihydroxydiphenyl sulfone|4,4'-sulfonildifenol|4,4'-Sulfonylbis[phenol]|4,4'-Sulfonylbisphenol|4,4'-sulphonyldiphenol|Bis(4-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl)sulfone|Bisphenol S|Bisphenol S sulfonic acid ester|BISPHENOL SULFONE|BPS|BPS 1|BPS-H|BPS-N|BPS-P|BRN 2052954|BS-PN|DHDPhS|Diphone A|Diphone C|Diphone D|Dynamar FC 5166|EINECS 201-250-5|NSC 683541|NSC 8712|p,p'-Dihydroxydiphenyl sulfone|Phenol, 4,4'-sulfonylbis-|Phenol, 4,4'-sulfonyldi-|UNII-3OX4RR782R|280144-23-2|98388-00-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022409 https://doi.org/10.22427/NTP-DATA-DTXSID3022409
ERPathway2016 ERPathway2016_187 4,4'-Sulfonyldiphenol 80-09-1 DTXSID3022409 Agonist ER Pathway Model, Antagonist ACC 11.5816115403203 uM OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(O)C=C1 4,4'-Sulfonyldiphenol 80-09-1|4,4'-Sulfonyldiphenol|1,1'-Sulfonylbis(4-hydroxybenzene)|1,1'-Sulfonylbis[4-hydroxybenzene]|4-(4-Hydroxyphenylsulfonyl)phenol|4-06-00-05809|4-Hydroxyphenyl sulfone|4,4'-Bisphenol S|4,4'-Dihydroxydiphenyl sulfone|4,4'-sulfonildifenol|4,4'-Sulfonylbis[phenol]|4,4'-Sulfonylbisphenol|4,4'-sulphonyldiphenol|Bis(4-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl)sulfone|Bisphenol S|Bisphenol S sulfonic acid ester|BISPHENOL SULFONE|BPS|BPS 1|BPS-H|BPS-N|BPS-P|BRN 2052954|BS-PN|DHDPhS|Diphone A|Diphone C|Diphone D|Dynamar FC 5166|EINECS 201-250-5|NSC 683541|NSC 8712|p,p'-Dihydroxydiphenyl sulfone|Phenol, 4,4'-sulfonylbis-|Phenol, 4,4'-sulfonyldi-|UNII-3OX4RR782R|280144-23-2|98388-00-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022409 https://doi.org/10.22427/NTP-DATA-DTXSID3022409
ERPathway2016 ERPathway2016_187 4,4'-Sulfonyldiphenol 80-09-1 DTXSID3022409 Agonist ER Pathway Model, Agonist Model Score 0.263 Unitless OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(O)C=C1 4,4'-Sulfonyldiphenol 80-09-1|4,4'-Sulfonyldiphenol|1,1'-Sulfonylbis(4-hydroxybenzene)|1,1'-Sulfonylbis[4-hydroxybenzene]|4-(4-Hydroxyphenylsulfonyl)phenol|4-06-00-05809|4-Hydroxyphenyl sulfone|4,4'-Bisphenol S|4,4'-Dihydroxydiphenyl sulfone|4,4'-sulfonildifenol|4,4'-Sulfonylbis[phenol]|4,4'-Sulfonylbisphenol|4,4'-sulphonyldiphenol|Bis(4-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl)sulfone|Bisphenol S|Bisphenol S sulfonic acid ester|BISPHENOL SULFONE|BPS|BPS 1|BPS-H|BPS-N|BPS-P|BRN 2052954|BS-PN|DHDPhS|Diphone A|Diphone C|Diphone D|Dynamar FC 5166|EINECS 201-250-5|NSC 683541|NSC 8712|p,p'-Dihydroxydiphenyl sulfone|Phenol, 4,4'-sulfonylbis-|Phenol, 4,4'-sulfonyldi-|UNII-3OX4RR782R|280144-23-2|98388-00-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022409 https://doi.org/10.22427/NTP-DATA-DTXSID3022409
ERPathway2016 ERPathway2016_187 4,4'-Sulfonyldiphenol 80-09-1 DTXSID3022409 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(O)C=C1 4,4'-Sulfonyldiphenol 80-09-1|4,4'-Sulfonyldiphenol|1,1'-Sulfonylbis(4-hydroxybenzene)|1,1'-Sulfonylbis[4-hydroxybenzene]|4-(4-Hydroxyphenylsulfonyl)phenol|4-06-00-05809|4-Hydroxyphenyl sulfone|4,4'-Bisphenol S|4,4'-Dihydroxydiphenyl sulfone|4,4'-sulfonildifenol|4,4'-Sulfonylbis[phenol]|4,4'-Sulfonylbisphenol|4,4'-sulphonyldiphenol|Bis(4-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl)sulfone|Bisphenol S|Bisphenol S sulfonic acid ester|BISPHENOL SULFONE|BPS|BPS 1|BPS-H|BPS-N|BPS-P|BRN 2052954|BS-PN|DHDPhS|Diphone A|Diphone C|Diphone D|Dynamar FC 5166|EINECS 201-250-5|NSC 683541|NSC 8712|p,p'-Dihydroxydiphenyl sulfone|Phenol, 4,4'-sulfonylbis-|Phenol, 4,4'-sulfonyldi-|UNII-3OX4RR782R|280144-23-2|98388-00-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022409 https://doi.org/10.22427/NTP-DATA-DTXSID3022409
ERPathway2016 ERPathway2016_187 4,4'-Sulfonyldiphenol 80-09-1 DTXSID3022409 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(O)C=C1 4,4'-Sulfonyldiphenol 80-09-1|4,4'-Sulfonyldiphenol|1,1'-Sulfonylbis(4-hydroxybenzene)|1,1'-Sulfonylbis[4-hydroxybenzene]|4-(4-Hydroxyphenylsulfonyl)phenol|4-06-00-05809|4-Hydroxyphenyl sulfone|4,4'-Bisphenol S|4,4'-Dihydroxydiphenyl sulfone|4,4'-sulfonildifenol|4,4'-Sulfonylbis[phenol]|4,4'-Sulfonylbisphenol|4,4'-sulphonyldiphenol|Bis(4-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl)sulfone|Bisphenol S|Bisphenol S sulfonic acid ester|BISPHENOL SULFONE|BPS|BPS 1|BPS-H|BPS-N|BPS-P|BRN 2052954|BS-PN|DHDPhS|Diphone A|Diphone C|Diphone D|Dynamar FC 5166|EINECS 201-250-5|NSC 683541|NSC 8712|p,p'-Dihydroxydiphenyl sulfone|Phenol, 4,4'-sulfonylbis-|Phenol, 4,4'-sulfonyldi-|UNII-3OX4RR782R|280144-23-2|98388-00-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022409 https://doi.org/10.22427/NTP-DATA-DTXSID3022409
ERPathway2016 ERPathway2016_187 4,4'-Sulfonyldiphenol 80-09-1 DTXSID3022409 Agonist ER Pathway Model, Antagonist Call Active Unitless OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(O)C=C1 4,4'-Sulfonyldiphenol 80-09-1|4,4'-Sulfonyldiphenol|1,1'-Sulfonylbis(4-hydroxybenzene)|1,1'-Sulfonylbis[4-hydroxybenzene]|4-(4-Hydroxyphenylsulfonyl)phenol|4-06-00-05809|4-Hydroxyphenyl sulfone|4,4'-Bisphenol S|4,4'-Dihydroxydiphenyl sulfone|4,4'-sulfonildifenol|4,4'-Sulfonylbis[phenol]|4,4'-Sulfonylbisphenol|4,4'-sulphonyldiphenol|Bis(4-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl) sulfone|Bis(p-hydroxyphenyl)sulfone|Bisphenol S|Bisphenol S sulfonic acid ester|BISPHENOL SULFONE|BPS|BPS 1|BPS-H|BPS-N|BPS-P|BRN 2052954|BS-PN|DHDPhS|Diphone A|Diphone C|Diphone D|Dynamar FC 5166|EINECS 201-250-5|NSC 683541|NSC 8712|p,p'-Dihydroxydiphenyl sulfone|Phenol, 4,4'-sulfonylbis-|Phenol, 4,4'-sulfonyldi-|UNII-3OX4RR782R|280144-23-2|98388-00-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022409 https://doi.org/10.22427/NTP-DATA-DTXSID3022409
ARPathway2016 ARPathway2016_242 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5 DTXSID5032315 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 11.31979447 uM CCCCCCCCN1SC(Cl)=C(Cl)C1=O 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5|4,5-Dichloro-2-octyl-3(2H)-isothiazolone|3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-|4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone|4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one|Anti-Foulant C-9211M|Caswell No. 314B|DCOIT|dichlorooctylisothiazolinone|EINECS 264-843-8|EPA Pesticide Chemical Code 128101|Kathon 930|UNII-HCY9Q844W2|442523-55-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032315
ARPathway2016 ARPathway2016_242 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5 DTXSID5032315 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 9.55847650509683 uM CCCCCCCCN1SC(Cl)=C(Cl)C1=O 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5|4,5-Dichloro-2-octyl-3(2H)-isothiazolone|3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-|4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone|4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one|Anti-Foulant C-9211M|Caswell No. 314B|DCOIT|dichlorooctylisothiazolinone|EINECS 264-843-8|EPA Pesticide Chemical Code 128101|Kathon 930|UNII-HCY9Q844W2|442523-55-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032315
ARPathway2016 ARPathway2016_242 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5 DTXSID5032315 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0941 Unitless CCCCCCCCN1SC(Cl)=C(Cl)C1=O 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5|4,5-Dichloro-2-octyl-3(2H)-isothiazolone|3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-|4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone|4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one|Anti-Foulant C-9211M|Caswell No. 314B|DCOIT|dichlorooctylisothiazolinone|EINECS 264-843-8|EPA Pesticide Chemical Code 128101|Kathon 930|UNII-HCY9Q844W2|442523-55-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032315
ARPathway2016 ARPathway2016_242 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5 DTXSID5032315 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0.00978 Unitless CCCCCCCCN1SC(Cl)=C(Cl)C1=O 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5|4,5-Dichloro-2-octyl-3(2H)-isothiazolone|3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-|4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone|4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one|Anti-Foulant C-9211M|Caswell No. 314B|DCOIT|dichlorooctylisothiazolinone|EINECS 264-843-8|EPA Pesticide Chemical Code 128101|Kathon 930|UNII-HCY9Q844W2|442523-55-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032315
ARPathway2016 ARPathway2016_242 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5 DTXSID5032315 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCCCCCN1SC(Cl)=C(Cl)C1=O 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5|4,5-Dichloro-2-octyl-3(2H)-isothiazolone|3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-|4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone|4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one|Anti-Foulant C-9211M|Caswell No. 314B|DCOIT|dichlorooctylisothiazolinone|EINECS 264-843-8|EPA Pesticide Chemical Code 128101|Kathon 930|UNII-HCY9Q844W2|442523-55-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032315
ARPathway2016 ARPathway2016_242 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5 DTXSID5032315 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCN1SC(Cl)=C(Cl)C1=O 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5|4,5-Dichloro-2-octyl-3(2H)-isothiazolone|3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-|4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone|4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one|Anti-Foulant C-9211M|Caswell No. 314B|DCOIT|dichlorooctylisothiazolinone|EINECS 264-843-8|EPA Pesticide Chemical Code 128101|Kathon 930|UNII-HCY9Q844W2|442523-55-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032315
ERPathway2016 ERPathway2016_34 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5 DTXSID5032315 ER Pathway Model, Agonist AC50 16.0052367716763 uM CCCCCCCCN1SC(Cl)=C(Cl)C1=O 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5|4,5-Dichloro-2-octyl-3(2H)-isothiazolone|3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-|4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone|4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one|Anti-Foulant C-9211M|Caswell No. 314B|DCOIT|dichlorooctylisothiazolinone|EINECS 264-843-8|EPA Pesticide Chemical Code 128101|Kathon 930|UNII-HCY9Q844W2|442523-55-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032315
ERPathway2016 ERPathway2016_34 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5 DTXSID5032315 ER Pathway Model, Agonist ACC 4.95946105088977 uM CCCCCCCCN1SC(Cl)=C(Cl)C1=O 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5|4,5-Dichloro-2-octyl-3(2H)-isothiazolone|3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-|4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone|4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one|Anti-Foulant C-9211M|Caswell No. 314B|DCOIT|dichlorooctylisothiazolinone|EINECS 264-843-8|EPA Pesticide Chemical Code 128101|Kathon 930|UNII-HCY9Q844W2|442523-55-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032315
ERPathway2016 ERPathway2016_34 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5 DTXSID5032315 ER Pathway Model, Agonist Model Score 0.00534 Unitless CCCCCCCCN1SC(Cl)=C(Cl)C1=O 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5|4,5-Dichloro-2-octyl-3(2H)-isothiazolone|3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-|4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone|4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one|Anti-Foulant C-9211M|Caswell No. 314B|DCOIT|dichlorooctylisothiazolinone|EINECS 264-843-8|EPA Pesticide Chemical Code 128101|Kathon 930|UNII-HCY9Q844W2|442523-55-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032315
ERPathway2016 ERPathway2016_34 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5 DTXSID5032315 ER Pathway Model, Antagonist Model Score 0.0651 Unitless CCCCCCCCN1SC(Cl)=C(Cl)C1=O 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5|4,5-Dichloro-2-octyl-3(2H)-isothiazolone|3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-|4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone|4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one|Anti-Foulant C-9211M|Caswell No. 314B|DCOIT|dichlorooctylisothiazolinone|EINECS 264-843-8|EPA Pesticide Chemical Code 128101|Kathon 930|UNII-HCY9Q844W2|442523-55-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032315
ERPathway2016 ERPathway2016_34 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5 DTXSID5032315 ER Pathway Model, Agonist Call Active Unitless CCCCCCCCN1SC(Cl)=C(Cl)C1=O 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5|4,5-Dichloro-2-octyl-3(2H)-isothiazolone|3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-|4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone|4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one|Anti-Foulant C-9211M|Caswell No. 314B|DCOIT|dichlorooctylisothiazolinone|EINECS 264-843-8|EPA Pesticide Chemical Code 128101|Kathon 930|UNII-HCY9Q844W2|442523-55-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032315
ERPathway2016 ERPathway2016_34 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5 DTXSID5032315 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCN1SC(Cl)=C(Cl)C1=O 4,5-Dichloro-2-octyl-3(2H)-isothiazolone 64359-81-5|4,5-Dichloro-2-octyl-3(2H)-isothiazolone|3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-|4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone|4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one|Anti-Foulant C-9211M|Caswell No. 314B|DCOIT|dichlorooctylisothiazolinone|EINECS 264-843-8|EPA Pesticide Chemical Code 128101|Kathon 930|UNII-HCY9Q844W2|442523-55-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032315
ARPathway2016 ARPathway2016_31 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5 DTXSID6032518 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 22.41891886 uM ClC1=C(Cl)C(=O)SS1 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5|4,5-Dichloro-3H-1,2-dithiol-3-one|4,5-Dichloro-1,2-dithiacyclopentenone|4,5-Dichloro-1,2-dithio-3-one|4,5-Dichloro-3-oxo-1,2-dithiole|4,5-Dichloro-3H-1,2-dithiole-3-one|BRN 1342220|EINECS 214-754-5|NSC 135976|UNII-N864R2B87O|119791-59-2|141788-24-1|171758-57-9|79203-63-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032518
ARPathway2016 ARPathway2016_31 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5 DTXSID6032518 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 24.1771306464368 uM ClC1=C(Cl)C(=O)SS1 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5|4,5-Dichloro-3H-1,2-dithiol-3-one|4,5-Dichloro-1,2-dithiacyclopentenone|4,5-Dichloro-1,2-dithio-3-one|4,5-Dichloro-3-oxo-1,2-dithiole|4,5-Dichloro-3H-1,2-dithiole-3-one|BRN 1342220|EINECS 214-754-5|NSC 135976|UNII-N864R2B87O|119791-59-2|141788-24-1|171758-57-9|79203-63-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032518
ARPathway2016 ARPathway2016_31 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5 DTXSID6032518 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.112 Unitless ClC1=C(Cl)C(=O)SS1 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5|4,5-Dichloro-3H-1,2-dithiol-3-one|4,5-Dichloro-1,2-dithiacyclopentenone|4,5-Dichloro-1,2-dithio-3-one|4,5-Dichloro-3-oxo-1,2-dithiole|4,5-Dichloro-3H-1,2-dithiole-3-one|BRN 1342220|EINECS 214-754-5|NSC 135976|UNII-N864R2B87O|119791-59-2|141788-24-1|171758-57-9|79203-63-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032518
ARPathway2016 ARPathway2016_31 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5 DTXSID6032518 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC1=C(Cl)C(=O)SS1 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5|4,5-Dichloro-3H-1,2-dithiol-3-one|4,5-Dichloro-1,2-dithiacyclopentenone|4,5-Dichloro-1,2-dithio-3-one|4,5-Dichloro-3-oxo-1,2-dithiole|4,5-Dichloro-3H-1,2-dithiole-3-one|BRN 1342220|EINECS 214-754-5|NSC 135976|UNII-N864R2B87O|119791-59-2|141788-24-1|171758-57-9|79203-63-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032518
ARPathway2016 ARPathway2016_31 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5 DTXSID6032518 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC1=C(Cl)C(=O)SS1 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5|4,5-Dichloro-3H-1,2-dithiol-3-one|4,5-Dichloro-1,2-dithiacyclopentenone|4,5-Dichloro-1,2-dithio-3-one|4,5-Dichloro-3-oxo-1,2-dithiole|4,5-Dichloro-3H-1,2-dithiole-3-one|BRN 1342220|EINECS 214-754-5|NSC 135976|UNII-N864R2B87O|119791-59-2|141788-24-1|171758-57-9|79203-63-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032518
ARPathway2016 ARPathway2016_31 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5 DTXSID6032518 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC1=C(Cl)C(=O)SS1 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5|4,5-Dichloro-3H-1,2-dithiol-3-one|4,5-Dichloro-1,2-dithiacyclopentenone|4,5-Dichloro-1,2-dithio-3-one|4,5-Dichloro-3-oxo-1,2-dithiole|4,5-Dichloro-3H-1,2-dithiole-3-one|BRN 1342220|EINECS 214-754-5|NSC 135976|UNII-N864R2B87O|119791-59-2|141788-24-1|171758-57-9|79203-63-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032518
ERPathway2016 ERPathway2016_753 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5 DTXSID6032518 A7 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=C(Cl)C(=O)SS1 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5|4,5-Dichloro-3H-1,2-dithiol-3-one|4,5-Dichloro-1,2-dithiacyclopentenone|4,5-Dichloro-1,2-dithio-3-one|4,5-Dichloro-3-oxo-1,2-dithiole|4,5-Dichloro-3H-1,2-dithiole-3-one|BRN 1342220|EINECS 214-754-5|NSC 135976|UNII-N864R2B87O|119791-59-2|141788-24-1|171758-57-9|79203-63-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032518
ERPathway2016 ERPathway2016_753 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5 DTXSID6032518 A7 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=C(Cl)C(=O)SS1 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5|4,5-Dichloro-3H-1,2-dithiol-3-one|4,5-Dichloro-1,2-dithiacyclopentenone|4,5-Dichloro-1,2-dithio-3-one|4,5-Dichloro-3-oxo-1,2-dithiole|4,5-Dichloro-3H-1,2-dithiole-3-one|BRN 1342220|EINECS 214-754-5|NSC 135976|UNII-N864R2B87O|119791-59-2|141788-24-1|171758-57-9|79203-63-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032518
ERPathway2016 ERPathway2016_753 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5 DTXSID6032518 A7 ER Pathway Model, Agonist Call Inactive Unitless ClC1=C(Cl)C(=O)SS1 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5|4,5-Dichloro-3H-1,2-dithiol-3-one|4,5-Dichloro-1,2-dithiacyclopentenone|4,5-Dichloro-1,2-dithio-3-one|4,5-Dichloro-3-oxo-1,2-dithiole|4,5-Dichloro-3H-1,2-dithiole-3-one|BRN 1342220|EINECS 214-754-5|NSC 135976|UNII-N864R2B87O|119791-59-2|141788-24-1|171758-57-9|79203-63-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032518
ERPathway2016 ERPathway2016_753 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5 DTXSID6032518 A7 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=C(Cl)C(=O)SS1 4,5-Dichloro-3H-1,2-dithiol-3-one 1192-52-5|4,5-Dichloro-3H-1,2-dithiol-3-one|4,5-Dichloro-1,2-dithiacyclopentenone|4,5-Dichloro-1,2-dithio-3-one|4,5-Dichloro-3-oxo-1,2-dithiole|4,5-Dichloro-3H-1,2-dithiole-3-one|BRN 1342220|EINECS 214-754-5|NSC 135976|UNII-N864R2B87O|119791-59-2|141788-24-1|171758-57-9|79203-63-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032518
ARPathway2016 ARPathway2016_1783 4,5-Dihydro-2-mercaptoimidazole 96-45-7 DTXSID5020601 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless S=C1NCCN1 4,5-Dihydro-2-mercaptoimidazole 96-45-7|4,5-Dihydro-2-mercaptoimidazole|1,3-Ethylene-2-thiourea|1,3-Ethylenethiourea|2-Imidazolidinethione|2-Imidazoline-2-thiol|2-Mercapto-2-imidazoline|2-Mercapto-4,5-dihydroimidazole|2-MERCAPTOIMIDAZOLINE|2-Merkaptoimidazolin|2-Thioimidazolidine|2-Thiol-dihydroglyoxaline|4,5-Dihydro-2-mercaptoimidazole|4,5-Dihydroimidazole-2(3H)-thione|Akrochem etu-22|Aperochem ETU-22|EINECS 202-506-9|Ethylene thiourea|Ethylene thiouree|Ethylenethiocarbamide|ETHYLENETHIOUREA|ETU|Imidazole-2(3H)-thione, 4,5-dihydro-|Imidazolidin-2-thion|imidazolidina-2-tiona|Imidazolidine-2-thione|Imidazolidinethione|Imidazoline-2-thiol|Imidazoline-2(3H)-thione|Imidazoline, 2-mercapto-|Mercaptoimidazoline|Mercazin I|N,N'-AETHYLENTHIOHARNSTOFF|N,N'-ETHYLENETHIOUREA|NCI-C03372|Nocceler 22|Pennac CRA|RCRA waste number U116|Rhenogran ETU|Rhodanin S 62|Rodanin S-62|Sanceler 22|Sanceler 22C|Sanceler 22S|Sanceller 22|Sodium-22 neoprene accelerator|Tetrahydro-2H-imidazole-2-thione|Thiourea, N,N'-(1,2-ethanediyl)-|Thiourea, N,N'-1,2-ethanediyl-|UNII-24FOJ4N18S|Urea, 1,3-ethylene-2-thio-|V|12261-94-8|1342300-13-3|26856-29-1|71836-04-9|875479-38-2|90613-75-5|96-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020601 https://doi.org/10.22427/NTP-DATA-DTXSID5020601
ARPathway2016 ARPathway2016_1783 4,5-Dihydro-2-mercaptoimidazole 96-45-7 DTXSID5020601 0.0 AR Pathway Model, Agonist Model Score 0 Unitless S=C1NCCN1 4,5-Dihydro-2-mercaptoimidazole 96-45-7|4,5-Dihydro-2-mercaptoimidazole|1,3-Ethylene-2-thiourea|1,3-Ethylenethiourea|2-Imidazolidinethione|2-Imidazoline-2-thiol|2-Mercapto-2-imidazoline|2-Mercapto-4,5-dihydroimidazole|2-MERCAPTOIMIDAZOLINE|2-Merkaptoimidazolin|2-Thioimidazolidine|2-Thiol-dihydroglyoxaline|4,5-Dihydro-2-mercaptoimidazole|4,5-Dihydroimidazole-2(3H)-thione|Akrochem etu-22|Aperochem ETU-22|EINECS 202-506-9|Ethylene thiourea|Ethylene thiouree|Ethylenethiocarbamide|ETHYLENETHIOUREA|ETU|Imidazole-2(3H)-thione, 4,5-dihydro-|Imidazolidin-2-thion|imidazolidina-2-tiona|Imidazolidine-2-thione|Imidazolidinethione|Imidazoline-2-thiol|Imidazoline-2(3H)-thione|Imidazoline, 2-mercapto-|Mercaptoimidazoline|Mercazin I|N,N'-AETHYLENTHIOHARNSTOFF|N,N'-ETHYLENETHIOUREA|NCI-C03372|Nocceler 22|Pennac CRA|RCRA waste number U116|Rhenogran ETU|Rhodanin S 62|Rodanin S-62|Sanceler 22|Sanceler 22C|Sanceler 22S|Sanceller 22|Sodium-22 neoprene accelerator|Tetrahydro-2H-imidazole-2-thione|Thiourea, N,N'-(1,2-ethanediyl)-|Thiourea, N,N'-1,2-ethanediyl-|UNII-24FOJ4N18S|Urea, 1,3-ethylene-2-thio-|V|12261-94-8|1342300-13-3|26856-29-1|71836-04-9|875479-38-2|90613-75-5|96-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020601 https://doi.org/10.22427/NTP-DATA-DTXSID5020601
ARPathway2016 ARPathway2016_1783 4,5-Dihydro-2-mercaptoimidazole 96-45-7 DTXSID5020601 0.0 AR Pathway Model, Agonist Call Inactive Unitless S=C1NCCN1 4,5-Dihydro-2-mercaptoimidazole 96-45-7|4,5-Dihydro-2-mercaptoimidazole|1,3-Ethylene-2-thiourea|1,3-Ethylenethiourea|2-Imidazolidinethione|2-Imidazoline-2-thiol|2-Mercapto-2-imidazoline|2-Mercapto-4,5-dihydroimidazole|2-MERCAPTOIMIDAZOLINE|2-Merkaptoimidazolin|2-Thioimidazolidine|2-Thiol-dihydroglyoxaline|4,5-Dihydro-2-mercaptoimidazole|4,5-Dihydroimidazole-2(3H)-thione|Akrochem etu-22|Aperochem ETU-22|EINECS 202-506-9|Ethylene thiourea|Ethylene thiouree|Ethylenethiocarbamide|ETHYLENETHIOUREA|ETU|Imidazole-2(3H)-thione, 4,5-dihydro-|Imidazolidin-2-thion|imidazolidina-2-tiona|Imidazolidine-2-thione|Imidazolidinethione|Imidazoline-2-thiol|Imidazoline-2(3H)-thione|Imidazoline, 2-mercapto-|Mercaptoimidazoline|Mercazin I|N,N'-AETHYLENTHIOHARNSTOFF|N,N'-ETHYLENETHIOUREA|NCI-C03372|Nocceler 22|Pennac CRA|RCRA waste number U116|Rhenogran ETU|Rhodanin S 62|Rodanin S-62|Sanceler 22|Sanceler 22C|Sanceler 22S|Sanceller 22|Sodium-22 neoprene accelerator|Tetrahydro-2H-imidazole-2-thione|Thiourea, N,N'-(1,2-ethanediyl)-|Thiourea, N,N'-1,2-ethanediyl-|UNII-24FOJ4N18S|Urea, 1,3-ethylene-2-thio-|V|12261-94-8|1342300-13-3|26856-29-1|71836-04-9|875479-38-2|90613-75-5|96-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020601 https://doi.org/10.22427/NTP-DATA-DTXSID5020601
ARPathway2016 ARPathway2016_1783 4,5-Dihydro-2-mercaptoimidazole 96-45-7 DTXSID5020601 0.0 AR Pathway Model, Antagonist Call Inactive Unitless S=C1NCCN1 4,5-Dihydro-2-mercaptoimidazole 96-45-7|4,5-Dihydro-2-mercaptoimidazole|1,3-Ethylene-2-thiourea|1,3-Ethylenethiourea|2-Imidazolidinethione|2-Imidazoline-2-thiol|2-Mercapto-2-imidazoline|2-Mercapto-4,5-dihydroimidazole|2-MERCAPTOIMIDAZOLINE|2-Merkaptoimidazolin|2-Thioimidazolidine|2-Thiol-dihydroglyoxaline|4,5-Dihydro-2-mercaptoimidazole|4,5-Dihydroimidazole-2(3H)-thione|Akrochem etu-22|Aperochem ETU-22|EINECS 202-506-9|Ethylene thiourea|Ethylene thiouree|Ethylenethiocarbamide|ETHYLENETHIOUREA|ETU|Imidazole-2(3H)-thione, 4,5-dihydro-|Imidazolidin-2-thion|imidazolidina-2-tiona|Imidazolidine-2-thione|Imidazolidinethione|Imidazoline-2-thiol|Imidazoline-2(3H)-thione|Imidazoline, 2-mercapto-|Mercaptoimidazoline|Mercazin I|N,N'-AETHYLENTHIOHARNSTOFF|N,N'-ETHYLENETHIOUREA|NCI-C03372|Nocceler 22|Pennac CRA|RCRA waste number U116|Rhenogran ETU|Rhodanin S 62|Rodanin S-62|Sanceler 22|Sanceler 22C|Sanceler 22S|Sanceller 22|Sodium-22 neoprene accelerator|Tetrahydro-2H-imidazole-2-thione|Thiourea, N,N'-(1,2-ethanediyl)-|Thiourea, N,N'-1,2-ethanediyl-|UNII-24FOJ4N18S|Urea, 1,3-ethylene-2-thio-|V|12261-94-8|1342300-13-3|26856-29-1|71836-04-9|875479-38-2|90613-75-5|96-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020601 https://doi.org/10.22427/NTP-DATA-DTXSID5020601
ERPathway2016 ERPathway2016_1781 4,5-Dihydro-2-mercaptoimidazole 96-45-7 DTXSID5020601 ER Pathway Model, Agonist Model Score 0 Unitless S=C1NCCN1 4,5-Dihydro-2-mercaptoimidazole 96-45-7|4,5-Dihydro-2-mercaptoimidazole|1,3-Ethylene-2-thiourea|1,3-Ethylenethiourea|2-Imidazolidinethione|2-Imidazoline-2-thiol|2-Mercapto-2-imidazoline|2-Mercapto-4,5-dihydroimidazole|2-MERCAPTOIMIDAZOLINE|2-Merkaptoimidazolin|2-Thioimidazolidine|2-Thiol-dihydroglyoxaline|4,5-Dihydro-2-mercaptoimidazole|4,5-Dihydroimidazole-2(3H)-thione|Akrochem etu-22|Aperochem ETU-22|EINECS 202-506-9|Ethylene thiourea|Ethylene thiouree|Ethylenethiocarbamide|ETHYLENETHIOUREA|ETU|Imidazole-2(3H)-thione, 4,5-dihydro-|Imidazolidin-2-thion|imidazolidina-2-tiona|Imidazolidine-2-thione|Imidazolidinethione|Imidazoline-2-thiol|Imidazoline-2(3H)-thione|Imidazoline, 2-mercapto-|Mercaptoimidazoline|Mercazin I|N,N'-AETHYLENTHIOHARNSTOFF|N,N'-ETHYLENETHIOUREA|NCI-C03372|Nocceler 22|Pennac CRA|RCRA waste number U116|Rhenogran ETU|Rhodanin S 62|Rodanin S-62|Sanceler 22|Sanceler 22C|Sanceler 22S|Sanceller 22|Sodium-22 neoprene accelerator|Tetrahydro-2H-imidazole-2-thione|Thiourea, N,N'-(1,2-ethanediyl)-|Thiourea, N,N'-1,2-ethanediyl-|UNII-24FOJ4N18S|Urea, 1,3-ethylene-2-thio-|V|12261-94-8|1342300-13-3|26856-29-1|71836-04-9|875479-38-2|90613-75-5|96-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020601 https://doi.org/10.22427/NTP-DATA-DTXSID5020601
ERPathway2016 ERPathway2016_1781 4,5-Dihydro-2-mercaptoimidazole 96-45-7 DTXSID5020601 ER Pathway Model, Antagonist Model Score 0 Unitless S=C1NCCN1 4,5-Dihydro-2-mercaptoimidazole 96-45-7|4,5-Dihydro-2-mercaptoimidazole|1,3-Ethylene-2-thiourea|1,3-Ethylenethiourea|2-Imidazolidinethione|2-Imidazoline-2-thiol|2-Mercapto-2-imidazoline|2-Mercapto-4,5-dihydroimidazole|2-MERCAPTOIMIDAZOLINE|2-Merkaptoimidazolin|2-Thioimidazolidine|2-Thiol-dihydroglyoxaline|4,5-Dihydro-2-mercaptoimidazole|4,5-Dihydroimidazole-2(3H)-thione|Akrochem etu-22|Aperochem ETU-22|EINECS 202-506-9|Ethylene thiourea|Ethylene thiouree|Ethylenethiocarbamide|ETHYLENETHIOUREA|ETU|Imidazole-2(3H)-thione, 4,5-dihydro-|Imidazolidin-2-thion|imidazolidina-2-tiona|Imidazolidine-2-thione|Imidazolidinethione|Imidazoline-2-thiol|Imidazoline-2(3H)-thione|Imidazoline, 2-mercapto-|Mercaptoimidazoline|Mercazin I|N,N'-AETHYLENTHIOHARNSTOFF|N,N'-ETHYLENETHIOUREA|NCI-C03372|Nocceler 22|Pennac CRA|RCRA waste number U116|Rhenogran ETU|Rhodanin S 62|Rodanin S-62|Sanceler 22|Sanceler 22C|Sanceler 22S|Sanceller 22|Sodium-22 neoprene accelerator|Tetrahydro-2H-imidazole-2-thione|Thiourea, N,N'-(1,2-ethanediyl)-|Thiourea, N,N'-1,2-ethanediyl-|UNII-24FOJ4N18S|Urea, 1,3-ethylene-2-thio-|V|12261-94-8|1342300-13-3|26856-29-1|71836-04-9|875479-38-2|90613-75-5|96-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020601 https://doi.org/10.22427/NTP-DATA-DTXSID5020601
ERPathway2016 ERPathway2016_1781 4,5-Dihydro-2-mercaptoimidazole 96-45-7 DTXSID5020601 ER Pathway Model, Agonist Call Inactive Unitless S=C1NCCN1 4,5-Dihydro-2-mercaptoimidazole 96-45-7|4,5-Dihydro-2-mercaptoimidazole|1,3-Ethylene-2-thiourea|1,3-Ethylenethiourea|2-Imidazolidinethione|2-Imidazoline-2-thiol|2-Mercapto-2-imidazoline|2-Mercapto-4,5-dihydroimidazole|2-MERCAPTOIMIDAZOLINE|2-Merkaptoimidazolin|2-Thioimidazolidine|2-Thiol-dihydroglyoxaline|4,5-Dihydro-2-mercaptoimidazole|4,5-Dihydroimidazole-2(3H)-thione|Akrochem etu-22|Aperochem ETU-22|EINECS 202-506-9|Ethylene thiourea|Ethylene thiouree|Ethylenethiocarbamide|ETHYLENETHIOUREA|ETU|Imidazole-2(3H)-thione, 4,5-dihydro-|Imidazolidin-2-thion|imidazolidina-2-tiona|Imidazolidine-2-thione|Imidazolidinethione|Imidazoline-2-thiol|Imidazoline-2(3H)-thione|Imidazoline, 2-mercapto-|Mercaptoimidazoline|Mercazin I|N,N'-AETHYLENTHIOHARNSTOFF|N,N'-ETHYLENETHIOUREA|NCI-C03372|Nocceler 22|Pennac CRA|RCRA waste number U116|Rhenogran ETU|Rhodanin S 62|Rodanin S-62|Sanceler 22|Sanceler 22C|Sanceler 22S|Sanceller 22|Sodium-22 neoprene accelerator|Tetrahydro-2H-imidazole-2-thione|Thiourea, N,N'-(1,2-ethanediyl)-|Thiourea, N,N'-1,2-ethanediyl-|UNII-24FOJ4N18S|Urea, 1,3-ethylene-2-thio-|V|12261-94-8|1342300-13-3|26856-29-1|71836-04-9|875479-38-2|90613-75-5|96-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020601 https://doi.org/10.22427/NTP-DATA-DTXSID5020601
ERPathway2016 ERPathway2016_1781 4,5-Dihydro-2-mercaptoimidazole 96-45-7 DTXSID5020601 ER Pathway Model, Antagonist Call Inactive Unitless S=C1NCCN1 4,5-Dihydro-2-mercaptoimidazole 96-45-7|4,5-Dihydro-2-mercaptoimidazole|1,3-Ethylene-2-thiourea|1,3-Ethylenethiourea|2-Imidazolidinethione|2-Imidazoline-2-thiol|2-Mercapto-2-imidazoline|2-Mercapto-4,5-dihydroimidazole|2-MERCAPTOIMIDAZOLINE|2-Merkaptoimidazolin|2-Thioimidazolidine|2-Thiol-dihydroglyoxaline|4,5-Dihydro-2-mercaptoimidazole|4,5-Dihydroimidazole-2(3H)-thione|Akrochem etu-22|Aperochem ETU-22|EINECS 202-506-9|Ethylene thiourea|Ethylene thiouree|Ethylenethiocarbamide|ETHYLENETHIOUREA|ETU|Imidazole-2(3H)-thione, 4,5-dihydro-|Imidazolidin-2-thion|imidazolidina-2-tiona|Imidazolidine-2-thione|Imidazolidinethione|Imidazoline-2-thiol|Imidazoline-2(3H)-thione|Imidazoline, 2-mercapto-|Mercaptoimidazoline|Mercazin I|N,N'-AETHYLENTHIOHARNSTOFF|N,N'-ETHYLENETHIOUREA|NCI-C03372|Nocceler 22|Pennac CRA|RCRA waste number U116|Rhenogran ETU|Rhodanin S 62|Rodanin S-62|Sanceler 22|Sanceler 22C|Sanceler 22S|Sanceller 22|Sodium-22 neoprene accelerator|Tetrahydro-2H-imidazole-2-thione|Thiourea, N,N'-(1,2-ethanediyl)-|Thiourea, N,N'-1,2-ethanediyl-|UNII-24FOJ4N18S|Urea, 1,3-ethylene-2-thio-|V|12261-94-8|1342300-13-3|26856-29-1|71836-04-9|875479-38-2|90613-75-5|96-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020601 https://doi.org/10.22427/NTP-DATA-DTXSID5020601
ARPathway2016 ARPathway2016_206 4,6-Dinitro-o-cresol 534-52-1 DTXSID1022053 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Agonist AC50 24.42407986 uM CC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O 4,6-Dinitro-o-cresol 534-52-1|4,6-Dinitro-o-cresol|2-Methyl-4,6-dinitro-phenol|2-Methyl-4,6-dinitrophenol|2,4-Dinitro-6-methylphenol|2,4-Dinitro-o-cresol|3,5-Dinitro-2-hydroxytoluene|4,6-Dinitro-2-methylphenol|4,6-Dinitro-o-cresolo|4,6-Dinitro-o-kresol|4,6-Dinitrokresol|6-Methyl-2,4-dinitrophenol|Antinonin|Antinonnin|Arborol|BRN 2054389|Capsine|Caswell No. 390|Chemsect DNOC|CRESOL (ORTHO), DINITRO-|Degrassan|Dekrysil|Dinitro|Dinitrocresol|Dinitrodendtroxal|Dinitrol|Dinurania|Ditrosol|Dn-dry mix no. 2|DNOC|Dwunitro-o-krezol|Effusan|Effusan 3436|EINECS 208-601-1|Elgetol|EPA Pesticide Chemical Code 037507|Fenol, 2-metil-4 ,6-dinitro -|Flavin-Samdoz|Flavin-Sandoz|Hedolit|Hedolite|Kreozan|Kresamone|Kresonite-E|Krezotol 50|LE dinitrocresol-4,6|Neudorff DN 50|Nitrador|Nitrofan|NSC 2082|o-Cresol, 4,6-dinitro-|o-Cresol, 4,6,-dinitro-|O-Dinitrocresol|Oranz viktoria|Phenol, 2-methyl-4,6-dinitro-|Prokarbol|Raphatox|RCRA waste number P047|Sandolin|Sandolin A|Selinon|Toluene, 3,5-dinitro-2-hydroxy-|Trifocide|Trifrina|UN 1598|UNII-1604ZJR09T|Winterwash|Zahlreiche bezeichnun|37359-43-6|53240-95-2|8068-73-3|8071-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022053 https://doi.org/10.22427/NTP-DATA-DTXSID1022053
ARPathway2016 ARPathway2016_206 4,6-Dinitro-o-cresol 534-52-1 DTXSID1022053 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Agonist ACC 23.6329495 uM CC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O 4,6-Dinitro-o-cresol 534-52-1|4,6-Dinitro-o-cresol|2-Methyl-4,6-dinitro-phenol|2-Methyl-4,6-dinitrophenol|2,4-Dinitro-6-methylphenol|2,4-Dinitro-o-cresol|3,5-Dinitro-2-hydroxytoluene|4,6-Dinitro-2-methylphenol|4,6-Dinitro-o-cresolo|4,6-Dinitro-o-kresol|4,6-Dinitrokresol|6-Methyl-2,4-dinitrophenol|Antinonin|Antinonnin|Arborol|BRN 2054389|Capsine|Caswell No. 390|Chemsect DNOC|CRESOL (ORTHO), DINITRO-|Degrassan|Dekrysil|Dinitro|Dinitrocresol|Dinitrodendtroxal|Dinitrol|Dinurania|Ditrosol|Dn-dry mix no. 2|DNOC|Dwunitro-o-krezol|Effusan|Effusan 3436|EINECS 208-601-1|Elgetol|EPA Pesticide Chemical Code 037507|Fenol, 2-metil-4 ,6-dinitro -|Flavin-Samdoz|Flavin-Sandoz|Hedolit|Hedolite|Kreozan|Kresamone|Kresonite-E|Krezotol 50|LE dinitrocresol-4,6|Neudorff DN 50|Nitrador|Nitrofan|NSC 2082|o-Cresol, 4,6-dinitro-|o-Cresol, 4,6,-dinitro-|O-Dinitrocresol|Oranz viktoria|Phenol, 2-methyl-4,6-dinitro-|Prokarbol|Raphatox|RCRA waste number P047|Sandolin|Sandolin A|Selinon|Toluene, 3,5-dinitro-2-hydroxy-|Trifocide|Trifrina|UN 1598|UNII-1604ZJR09T|Winterwash|Zahlreiche bezeichnun|37359-43-6|53240-95-2|8068-73-3|8071-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022053 https://doi.org/10.22427/NTP-DATA-DTXSID1022053
ARPathway2016 ARPathway2016_206 4,6-Dinitro-o-cresol 534-52-1 DTXSID1022053 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Antagonist Model Score 0.0298 Unitless CC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O 4,6-Dinitro-o-cresol 534-52-1|4,6-Dinitro-o-cresol|2-Methyl-4,6-dinitro-phenol|2-Methyl-4,6-dinitrophenol|2,4-Dinitro-6-methylphenol|2,4-Dinitro-o-cresol|3,5-Dinitro-2-hydroxytoluene|4,6-Dinitro-2-methylphenol|4,6-Dinitro-o-cresolo|4,6-Dinitro-o-kresol|4,6-Dinitrokresol|6-Methyl-2,4-dinitrophenol|Antinonin|Antinonnin|Arborol|BRN 2054389|Capsine|Caswell No. 390|Chemsect DNOC|CRESOL (ORTHO), DINITRO-|Degrassan|Dekrysil|Dinitro|Dinitrocresol|Dinitrodendtroxal|Dinitrol|Dinurania|Ditrosol|Dn-dry mix no. 2|DNOC|Dwunitro-o-krezol|Effusan|Effusan 3436|EINECS 208-601-1|Elgetol|EPA Pesticide Chemical Code 037507|Fenol, 2-metil-4 ,6-dinitro -|Flavin-Samdoz|Flavin-Sandoz|Hedolit|Hedolite|Kreozan|Kresamone|Kresonite-E|Krezotol 50|LE dinitrocresol-4,6|Neudorff DN 50|Nitrador|Nitrofan|NSC 2082|o-Cresol, 4,6-dinitro-|o-Cresol, 4,6,-dinitro-|O-Dinitrocresol|Oranz viktoria|Phenol, 2-methyl-4,6-dinitro-|Prokarbol|Raphatox|RCRA waste number P047|Sandolin|Sandolin A|Selinon|Toluene, 3,5-dinitro-2-hydroxy-|Trifocide|Trifrina|UN 1598|UNII-1604ZJR09T|Winterwash|Zahlreiche bezeichnun|37359-43-6|53240-95-2|8068-73-3|8071-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022053 https://doi.org/10.22427/NTP-DATA-DTXSID1022053
ARPathway2016 ARPathway2016_206 4,6-Dinitro-o-cresol 534-52-1 DTXSID1022053 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O 4,6-Dinitro-o-cresol 534-52-1|4,6-Dinitro-o-cresol|2-Methyl-4,6-dinitro-phenol|2-Methyl-4,6-dinitrophenol|2,4-Dinitro-6-methylphenol|2,4-Dinitro-o-cresol|3,5-Dinitro-2-hydroxytoluene|4,6-Dinitro-2-methylphenol|4,6-Dinitro-o-cresolo|4,6-Dinitro-o-kresol|4,6-Dinitrokresol|6-Methyl-2,4-dinitrophenol|Antinonin|Antinonnin|Arborol|BRN 2054389|Capsine|Caswell No. 390|Chemsect DNOC|CRESOL (ORTHO), DINITRO-|Degrassan|Dekrysil|Dinitro|Dinitrocresol|Dinitrodendtroxal|Dinitrol|Dinurania|Ditrosol|Dn-dry mix no. 2|DNOC|Dwunitro-o-krezol|Effusan|Effusan 3436|EINECS 208-601-1|Elgetol|EPA Pesticide Chemical Code 037507|Fenol, 2-metil-4 ,6-dinitro -|Flavin-Samdoz|Flavin-Sandoz|Hedolit|Hedolite|Kreozan|Kresamone|Kresonite-E|Krezotol 50|LE dinitrocresol-4,6|Neudorff DN 50|Nitrador|Nitrofan|NSC 2082|o-Cresol, 4,6-dinitro-|o-Cresol, 4,6,-dinitro-|O-Dinitrocresol|Oranz viktoria|Phenol, 2-methyl-4,6-dinitro-|Prokarbol|Raphatox|RCRA waste number P047|Sandolin|Sandolin A|Selinon|Toluene, 3,5-dinitro-2-hydroxy-|Trifocide|Trifrina|UN 1598|UNII-1604ZJR09T|Winterwash|Zahlreiche bezeichnun|37359-43-6|53240-95-2|8068-73-3|8071-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022053 https://doi.org/10.22427/NTP-DATA-DTXSID1022053
ARPathway2016 ARPathway2016_206 4,6-Dinitro-o-cresol 534-52-1 DTXSID1022053 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Agonist Call Active Unitless CC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O 4,6-Dinitro-o-cresol 534-52-1|4,6-Dinitro-o-cresol|2-Methyl-4,6-dinitro-phenol|2-Methyl-4,6-dinitrophenol|2,4-Dinitro-6-methylphenol|2,4-Dinitro-o-cresol|3,5-Dinitro-2-hydroxytoluene|4,6-Dinitro-2-methylphenol|4,6-Dinitro-o-cresolo|4,6-Dinitro-o-kresol|4,6-Dinitrokresol|6-Methyl-2,4-dinitrophenol|Antinonin|Antinonnin|Arborol|BRN 2054389|Capsine|Caswell No. 390|Chemsect DNOC|CRESOL (ORTHO), DINITRO-|Degrassan|Dekrysil|Dinitro|Dinitrocresol|Dinitrodendtroxal|Dinitrol|Dinurania|Ditrosol|Dn-dry mix no. 2|DNOC|Dwunitro-o-krezol|Effusan|Effusan 3436|EINECS 208-601-1|Elgetol|EPA Pesticide Chemical Code 037507|Fenol, 2-metil-4 ,6-dinitro -|Flavin-Samdoz|Flavin-Sandoz|Hedolit|Hedolite|Kreozan|Kresamone|Kresonite-E|Krezotol 50|LE dinitrocresol-4,6|Neudorff DN 50|Nitrador|Nitrofan|NSC 2082|o-Cresol, 4,6-dinitro-|o-Cresol, 4,6,-dinitro-|O-Dinitrocresol|Oranz viktoria|Phenol, 2-methyl-4,6-dinitro-|Prokarbol|Raphatox|RCRA waste number P047|Sandolin|Sandolin A|Selinon|Toluene, 3,5-dinitro-2-hydroxy-|Trifocide|Trifrina|UN 1598|UNII-1604ZJR09T|Winterwash|Zahlreiche bezeichnun|37359-43-6|53240-95-2|8068-73-3|8071-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022053 https://doi.org/10.22427/NTP-DATA-DTXSID1022053
ARPathway2016 ARPathway2016_206 4,6-Dinitro-o-cresol 534-52-1 DTXSID1022053 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O 4,6-Dinitro-o-cresol 534-52-1|4,6-Dinitro-o-cresol|2-Methyl-4,6-dinitro-phenol|2-Methyl-4,6-dinitrophenol|2,4-Dinitro-6-methylphenol|2,4-Dinitro-o-cresol|3,5-Dinitro-2-hydroxytoluene|4,6-Dinitro-2-methylphenol|4,6-Dinitro-o-cresolo|4,6-Dinitro-o-kresol|4,6-Dinitrokresol|6-Methyl-2,4-dinitrophenol|Antinonin|Antinonnin|Arborol|BRN 2054389|Capsine|Caswell No. 390|Chemsect DNOC|CRESOL (ORTHO), DINITRO-|Degrassan|Dekrysil|Dinitro|Dinitrocresol|Dinitrodendtroxal|Dinitrol|Dinurania|Ditrosol|Dn-dry mix no. 2|DNOC|Dwunitro-o-krezol|Effusan|Effusan 3436|EINECS 208-601-1|Elgetol|EPA Pesticide Chemical Code 037507|Fenol, 2-metil-4 ,6-dinitro -|Flavin-Samdoz|Flavin-Sandoz|Hedolit|Hedolite|Kreozan|Kresamone|Kresonite-E|Krezotol 50|LE dinitrocresol-4,6|Neudorff DN 50|Nitrador|Nitrofan|NSC 2082|o-Cresol, 4,6-dinitro-|o-Cresol, 4,6,-dinitro-|O-Dinitrocresol|Oranz viktoria|Phenol, 2-methyl-4,6-dinitro-|Prokarbol|Raphatox|RCRA waste number P047|Sandolin|Sandolin A|Selinon|Toluene, 3,5-dinitro-2-hydroxy-|Trifocide|Trifrina|UN 1598|UNII-1604ZJR09T|Winterwash|Zahlreiche bezeichnun|37359-43-6|53240-95-2|8068-73-3|8071-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022053 https://doi.org/10.22427/NTP-DATA-DTXSID1022053
ERPathway2016 ERPathway2016_580 4,6-Dinitro-o-cresol 534-52-1 DTXSID1022053 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O 4,6-Dinitro-o-cresol 534-52-1|4,6-Dinitro-o-cresol|2-Methyl-4,6-dinitro-phenol|2-Methyl-4,6-dinitrophenol|2,4-Dinitro-6-methylphenol|2,4-Dinitro-o-cresol|3,5-Dinitro-2-hydroxytoluene|4,6-Dinitro-2-methylphenol|4,6-Dinitro-o-cresolo|4,6-Dinitro-o-kresol|4,6-Dinitrokresol|6-Methyl-2,4-dinitrophenol|Antinonin|Antinonnin|Arborol|BRN 2054389|Capsine|Caswell No. 390|Chemsect DNOC|CRESOL (ORTHO), DINITRO-|Degrassan|Dekrysil|Dinitro|Dinitrocresol|Dinitrodendtroxal|Dinitrol|Dinurania|Ditrosol|Dn-dry mix no. 2|DNOC|Dwunitro-o-krezol|Effusan|Effusan 3436|EINECS 208-601-1|Elgetol|EPA Pesticide Chemical Code 037507|Fenol, 2-metil-4 ,6-dinitro -|Flavin-Samdoz|Flavin-Sandoz|Hedolit|Hedolite|Kreozan|Kresamone|Kresonite-E|Krezotol 50|LE dinitrocresol-4,6|Neudorff DN 50|Nitrador|Nitrofan|NSC 2082|o-Cresol, 4,6-dinitro-|o-Cresol, 4,6,-dinitro-|O-Dinitrocresol|Oranz viktoria|Phenol, 2-methyl-4,6-dinitro-|Prokarbol|Raphatox|RCRA waste number P047|Sandolin|Sandolin A|Selinon|Toluene, 3,5-dinitro-2-hydroxy-|Trifocide|Trifrina|UN 1598|UNII-1604ZJR09T|Winterwash|Zahlreiche bezeichnun|37359-43-6|53240-95-2|8068-73-3|8071-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022053 https://doi.org/10.22427/NTP-DATA-DTXSID1022053
ERPathway2016 ERPathway2016_580 4,6-Dinitro-o-cresol 534-52-1 DTXSID1022053 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O 4,6-Dinitro-o-cresol 534-52-1|4,6-Dinitro-o-cresol|2-Methyl-4,6-dinitro-phenol|2-Methyl-4,6-dinitrophenol|2,4-Dinitro-6-methylphenol|2,4-Dinitro-o-cresol|3,5-Dinitro-2-hydroxytoluene|4,6-Dinitro-2-methylphenol|4,6-Dinitro-o-cresolo|4,6-Dinitro-o-kresol|4,6-Dinitrokresol|6-Methyl-2,4-dinitrophenol|Antinonin|Antinonnin|Arborol|BRN 2054389|Capsine|Caswell No. 390|Chemsect DNOC|CRESOL (ORTHO), DINITRO-|Degrassan|Dekrysil|Dinitro|Dinitrocresol|Dinitrodendtroxal|Dinitrol|Dinurania|Ditrosol|Dn-dry mix no. 2|DNOC|Dwunitro-o-krezol|Effusan|Effusan 3436|EINECS 208-601-1|Elgetol|EPA Pesticide Chemical Code 037507|Fenol, 2-metil-4 ,6-dinitro -|Flavin-Samdoz|Flavin-Sandoz|Hedolit|Hedolite|Kreozan|Kresamone|Kresonite-E|Krezotol 50|LE dinitrocresol-4,6|Neudorff DN 50|Nitrador|Nitrofan|NSC 2082|o-Cresol, 4,6-dinitro-|o-Cresol, 4,6,-dinitro-|O-Dinitrocresol|Oranz viktoria|Phenol, 2-methyl-4,6-dinitro-|Prokarbol|Raphatox|RCRA waste number P047|Sandolin|Sandolin A|Selinon|Toluene, 3,5-dinitro-2-hydroxy-|Trifocide|Trifrina|UN 1598|UNII-1604ZJR09T|Winterwash|Zahlreiche bezeichnun|37359-43-6|53240-95-2|8068-73-3|8071-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022053 https://doi.org/10.22427/NTP-DATA-DTXSID1022053
ERPathway2016 ERPathway2016_580 4,6-Dinitro-o-cresol 534-52-1 DTXSID1022053 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O 4,6-Dinitro-o-cresol 534-52-1|4,6-Dinitro-o-cresol|2-Methyl-4,6-dinitro-phenol|2-Methyl-4,6-dinitrophenol|2,4-Dinitro-6-methylphenol|2,4-Dinitro-o-cresol|3,5-Dinitro-2-hydroxytoluene|4,6-Dinitro-2-methylphenol|4,6-Dinitro-o-cresolo|4,6-Dinitro-o-kresol|4,6-Dinitrokresol|6-Methyl-2,4-dinitrophenol|Antinonin|Antinonnin|Arborol|BRN 2054389|Capsine|Caswell No. 390|Chemsect DNOC|CRESOL (ORTHO), DINITRO-|Degrassan|Dekrysil|Dinitro|Dinitrocresol|Dinitrodendtroxal|Dinitrol|Dinurania|Ditrosol|Dn-dry mix no. 2|DNOC|Dwunitro-o-krezol|Effusan|Effusan 3436|EINECS 208-601-1|Elgetol|EPA Pesticide Chemical Code 037507|Fenol, 2-metil-4 ,6-dinitro -|Flavin-Samdoz|Flavin-Sandoz|Hedolit|Hedolite|Kreozan|Kresamone|Kresonite-E|Krezotol 50|LE dinitrocresol-4,6|Neudorff DN 50|Nitrador|Nitrofan|NSC 2082|o-Cresol, 4,6-dinitro-|o-Cresol, 4,6,-dinitro-|O-Dinitrocresol|Oranz viktoria|Phenol, 2-methyl-4,6-dinitro-|Prokarbol|Raphatox|RCRA waste number P047|Sandolin|Sandolin A|Selinon|Toluene, 3,5-dinitro-2-hydroxy-|Trifocide|Trifrina|UN 1598|UNII-1604ZJR09T|Winterwash|Zahlreiche bezeichnun|37359-43-6|53240-95-2|8068-73-3|8071-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022053 https://doi.org/10.22427/NTP-DATA-DTXSID1022053
ERPathway2016 ERPathway2016_580 4,6-Dinitro-o-cresol 534-52-1 DTXSID1022053 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O 4,6-Dinitro-o-cresol 534-52-1|4,6-Dinitro-o-cresol|2-Methyl-4,6-dinitro-phenol|2-Methyl-4,6-dinitrophenol|2,4-Dinitro-6-methylphenol|2,4-Dinitro-o-cresol|3,5-Dinitro-2-hydroxytoluene|4,6-Dinitro-2-methylphenol|4,6-Dinitro-o-cresolo|4,6-Dinitro-o-kresol|4,6-Dinitrokresol|6-Methyl-2,4-dinitrophenol|Antinonin|Antinonnin|Arborol|BRN 2054389|Capsine|Caswell No. 390|Chemsect DNOC|CRESOL (ORTHO), DINITRO-|Degrassan|Dekrysil|Dinitro|Dinitrocresol|Dinitrodendtroxal|Dinitrol|Dinurania|Ditrosol|Dn-dry mix no. 2|DNOC|Dwunitro-o-krezol|Effusan|Effusan 3436|EINECS 208-601-1|Elgetol|EPA Pesticide Chemical Code 037507|Fenol, 2-metil-4 ,6-dinitro -|Flavin-Samdoz|Flavin-Sandoz|Hedolit|Hedolite|Kreozan|Kresamone|Kresonite-E|Krezotol 50|LE dinitrocresol-4,6|Neudorff DN 50|Nitrador|Nitrofan|NSC 2082|o-Cresol, 4,6-dinitro-|o-Cresol, 4,6,-dinitro-|O-Dinitrocresol|Oranz viktoria|Phenol, 2-methyl-4,6-dinitro-|Prokarbol|Raphatox|RCRA waste number P047|Sandolin|Sandolin A|Selinon|Toluene, 3,5-dinitro-2-hydroxy-|Trifocide|Trifrina|UN 1598|UNII-1604ZJR09T|Winterwash|Zahlreiche bezeichnun|37359-43-6|53240-95-2|8068-73-3|8071-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022053 https://doi.org/10.22427/NTP-DATA-DTXSID1022053
ARPathway2016 ARPathway2016_1356 4-Amino-1,2,4-triazole 584-13-4 DTXSID9033058 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NN1C=NN=C1 4-Amino-1,2,4-triazole 584-13-4|4-Amino-1,2,4-triazole|1-Amino-1,3,4-triazole|1-Amino-1H-1,3,4-triazole|4-Amino-1,2,4(4H)-triazole|4-Amino-4H-1,2,4-triazole|5-26-01-00095|BRN 0107563|EINECS 209-533-5|NSC 3263|NSC 7242|UNII-O57Y04816H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9033058
ARPathway2016 ARPathway2016_1356 4-Amino-1,2,4-triazole 584-13-4 DTXSID9033058 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NN1C=NN=C1 4-Amino-1,2,4-triazole 584-13-4|4-Amino-1,2,4-triazole|1-Amino-1,3,4-triazole|1-Amino-1H-1,3,4-triazole|4-Amino-1,2,4(4H)-triazole|4-Amino-4H-1,2,4-triazole|5-26-01-00095|BRN 0107563|EINECS 209-533-5|NSC 3263|NSC 7242|UNII-O57Y04816H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9033058
ARPathway2016 ARPathway2016_1356 4-Amino-1,2,4-triazole 584-13-4 DTXSID9033058 0.0 AR Pathway Model, Agonist Call Inactive Unitless NN1C=NN=C1 4-Amino-1,2,4-triazole 584-13-4|4-Amino-1,2,4-triazole|1-Amino-1,3,4-triazole|1-Amino-1H-1,3,4-triazole|4-Amino-1,2,4(4H)-triazole|4-Amino-4H-1,2,4-triazole|5-26-01-00095|BRN 0107563|EINECS 209-533-5|NSC 3263|NSC 7242|UNII-O57Y04816H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9033058
ARPathway2016 ARPathway2016_1356 4-Amino-1,2,4-triazole 584-13-4 DTXSID9033058 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NN1C=NN=C1 4-Amino-1,2,4-triazole 584-13-4|4-Amino-1,2,4-triazole|1-Amino-1,3,4-triazole|1-Amino-1H-1,3,4-triazole|4-Amino-1,2,4(4H)-triazole|4-Amino-4H-1,2,4-triazole|5-26-01-00095|BRN 0107563|EINECS 209-533-5|NSC 3263|NSC 7242|UNII-O57Y04816H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9033058
ERPathway2016 ERPathway2016_548 4-Amino-1,2,4-triazole 584-13-4 DTXSID9033058 ER Pathway Model, Agonist Model Score 0 Unitless NN1C=NN=C1 4-Amino-1,2,4-triazole 584-13-4|4-Amino-1,2,4-triazole|1-Amino-1,3,4-triazole|1-Amino-1H-1,3,4-triazole|4-Amino-1,2,4(4H)-triazole|4-Amino-4H-1,2,4-triazole|5-26-01-00095|BRN 0107563|EINECS 209-533-5|NSC 3263|NSC 7242|UNII-O57Y04816H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9033058
ERPathway2016 ERPathway2016_548 4-Amino-1,2,4-triazole 584-13-4 DTXSID9033058 ER Pathway Model, Antagonist Model Score 0 Unitless NN1C=NN=C1 4-Amino-1,2,4-triazole 584-13-4|4-Amino-1,2,4-triazole|1-Amino-1,3,4-triazole|1-Amino-1H-1,3,4-triazole|4-Amino-1,2,4(4H)-triazole|4-Amino-4H-1,2,4-triazole|5-26-01-00095|BRN 0107563|EINECS 209-533-5|NSC 3263|NSC 7242|UNII-O57Y04816H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9033058
ERPathway2016 ERPathway2016_548 4-Amino-1,2,4-triazole 584-13-4 DTXSID9033058 ER Pathway Model, Agonist Call Inactive Unitless NN1C=NN=C1 4-Amino-1,2,4-triazole 584-13-4|4-Amino-1,2,4-triazole|1-Amino-1,3,4-triazole|1-Amino-1H-1,3,4-triazole|4-Amino-1,2,4(4H)-triazole|4-Amino-4H-1,2,4-triazole|5-26-01-00095|BRN 0107563|EINECS 209-533-5|NSC 3263|NSC 7242|UNII-O57Y04816H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9033058
ERPathway2016 ERPathway2016_548 4-Amino-1,2,4-triazole 584-13-4 DTXSID9033058 ER Pathway Model, Antagonist Call Inactive Unitless NN1C=NN=C1 4-Amino-1,2,4-triazole 584-13-4|4-Amino-1,2,4-triazole|1-Amino-1,3,4-triazole|1-Amino-1H-1,3,4-triazole|4-Amino-1,2,4(4H)-triazole|4-Amino-4H-1,2,4-triazole|5-26-01-00095|BRN 0107563|EINECS 209-533-5|NSC 3263|NSC 7242|UNII-O57Y04816H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9033058
ARPathway2016 ARPathway2016_879 4-Aminobenzoic acid 150-13-0 DTXSID6024466 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(C=C1)C(O)=O 4-Aminobenzoic acid 150-13-0|4-Aminobenzoic acid|1-Amino-4-carboxybenzene|4-Aminobenzenecarboxylic acid|4-Aminobenzoate|4-AMINOBENZOESAEURE|4-Aminobenzoesaure|4-Carboxyaniline|4-Carboxyphenylamine|Acide 4-aminobenzoique|acido 4-aminobenzoico|Acido p-aminobenzoico|Acidum paraminobenzoicum|Actipol|Amben|Aminobenzoate|Aminobenzoic acid|Aniline-4-carboxylate|Aniline-4-carboxylic acid|Anti-Chromotrichia factor|Anticanitic vitamin|Anticantic vitamin|Antichromotrichia factor|Bacterial vitamin H1|Benzoic acid, 4-amino-|Benzoic acid, p-amino-|BRN 0471605|Caswell No. 033B|Chromotrichia factor|EINECS 205-753-0|EPA Pesticide Chemical Code 233300|gamma-Aminobenzoate|gamma-Aminobenzoic acid|Hachemina|Kyselina p-aminobenzoova|NSC 7627|p-Amino-Benzoate|p-Amino-Benzoic acid|p-Aminobenzoesaeure|P-AMINOBENZOIC ACID|p-Carboxyaniline|p-Carboxyphenylamine|PAB|PABA|Pabacyd|Pabafilm|Pabagel|Pabamine|Pabanol|Papacidum|Para-aminobenzoate|para-aminobenzoic acid|Paraminol|Paranate|Potaba|Romavit|Rvpaba|RVPaba Lipstick|Sunbrella|Super Shade by Coppertone|Trichochromogenic factor|Trochr|8014-65-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024466 https://doi.org/10.22427/NTP-DATA-DTXSID6024466
ARPathway2016 ARPathway2016_879 4-Aminobenzoic acid 150-13-0 DTXSID6024466 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=CC=C(C=C1)C(O)=O 4-Aminobenzoic acid 150-13-0|4-Aminobenzoic acid|1-Amino-4-carboxybenzene|4-Aminobenzenecarboxylic acid|4-Aminobenzoate|4-AMINOBENZOESAEURE|4-Aminobenzoesaure|4-Carboxyaniline|4-Carboxyphenylamine|Acide 4-aminobenzoique|acido 4-aminobenzoico|Acido p-aminobenzoico|Acidum paraminobenzoicum|Actipol|Amben|Aminobenzoate|Aminobenzoic acid|Aniline-4-carboxylate|Aniline-4-carboxylic acid|Anti-Chromotrichia factor|Anticanitic vitamin|Anticantic vitamin|Antichromotrichia factor|Bacterial vitamin H1|Benzoic acid, 4-amino-|Benzoic acid, p-amino-|BRN 0471605|Caswell No. 033B|Chromotrichia factor|EINECS 205-753-0|EPA Pesticide Chemical Code 233300|gamma-Aminobenzoate|gamma-Aminobenzoic acid|Hachemina|Kyselina p-aminobenzoova|NSC 7627|p-Amino-Benzoate|p-Amino-Benzoic acid|p-Aminobenzoesaeure|P-AMINOBENZOIC ACID|p-Carboxyaniline|p-Carboxyphenylamine|PAB|PABA|Pabacyd|Pabafilm|Pabagel|Pabamine|Pabanol|Papacidum|Para-aminobenzoate|para-aminobenzoic acid|Paraminol|Paranate|Potaba|Romavit|Rvpaba|RVPaba Lipstick|Sunbrella|Super Shade by Coppertone|Trichochromogenic factor|Trochr|8014-65-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024466 https://doi.org/10.22427/NTP-DATA-DTXSID6024466
ARPathway2016 ARPathway2016_879 4-Aminobenzoic acid 150-13-0 DTXSID6024466 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(C=C1)C(O)=O 4-Aminobenzoic acid 150-13-0|4-Aminobenzoic acid|1-Amino-4-carboxybenzene|4-Aminobenzenecarboxylic acid|4-Aminobenzoate|4-AMINOBENZOESAEURE|4-Aminobenzoesaure|4-Carboxyaniline|4-Carboxyphenylamine|Acide 4-aminobenzoique|acido 4-aminobenzoico|Acido p-aminobenzoico|Acidum paraminobenzoicum|Actipol|Amben|Aminobenzoate|Aminobenzoic acid|Aniline-4-carboxylate|Aniline-4-carboxylic acid|Anti-Chromotrichia factor|Anticanitic vitamin|Anticantic vitamin|Antichromotrichia factor|Bacterial vitamin H1|Benzoic acid, 4-amino-|Benzoic acid, p-amino-|BRN 0471605|Caswell No. 033B|Chromotrichia factor|EINECS 205-753-0|EPA Pesticide Chemical Code 233300|gamma-Aminobenzoate|gamma-Aminobenzoic acid|Hachemina|Kyselina p-aminobenzoova|NSC 7627|p-Amino-Benzoate|p-Amino-Benzoic acid|p-Aminobenzoesaeure|P-AMINOBENZOIC ACID|p-Carboxyaniline|p-Carboxyphenylamine|PAB|PABA|Pabacyd|Pabafilm|Pabagel|Pabamine|Pabanol|Papacidum|Para-aminobenzoate|para-aminobenzoic acid|Paraminol|Paranate|Potaba|Romavit|Rvpaba|RVPaba Lipstick|Sunbrella|Super Shade by Coppertone|Trichochromogenic factor|Trochr|8014-65-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024466 https://doi.org/10.22427/NTP-DATA-DTXSID6024466
ARPathway2016 ARPathway2016_879 4-Aminobenzoic acid 150-13-0 DTXSID6024466 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC=C(C=C1)C(O)=O 4-Aminobenzoic acid 150-13-0|4-Aminobenzoic acid|1-Amino-4-carboxybenzene|4-Aminobenzenecarboxylic acid|4-Aminobenzoate|4-AMINOBENZOESAEURE|4-Aminobenzoesaure|4-Carboxyaniline|4-Carboxyphenylamine|Acide 4-aminobenzoique|acido 4-aminobenzoico|Acido p-aminobenzoico|Acidum paraminobenzoicum|Actipol|Amben|Aminobenzoate|Aminobenzoic acid|Aniline-4-carboxylate|Aniline-4-carboxylic acid|Anti-Chromotrichia factor|Anticanitic vitamin|Anticantic vitamin|Antichromotrichia factor|Bacterial vitamin H1|Benzoic acid, 4-amino-|Benzoic acid, p-amino-|BRN 0471605|Caswell No. 033B|Chromotrichia factor|EINECS 205-753-0|EPA Pesticide Chemical Code 233300|gamma-Aminobenzoate|gamma-Aminobenzoic acid|Hachemina|Kyselina p-aminobenzoova|NSC 7627|p-Amino-Benzoate|p-Amino-Benzoic acid|p-Aminobenzoesaeure|P-AMINOBENZOIC ACID|p-Carboxyaniline|p-Carboxyphenylamine|PAB|PABA|Pabacyd|Pabafilm|Pabagel|Pabamine|Pabanol|Papacidum|Para-aminobenzoate|para-aminobenzoic acid|Paraminol|Paranate|Potaba|Romavit|Rvpaba|RVPaba Lipstick|Sunbrella|Super Shade by Coppertone|Trichochromogenic factor|Trochr|8014-65-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024466 https://doi.org/10.22427/NTP-DATA-DTXSID6024466
ERPathway2016 ERPathway2016_1317 4-Aminobenzoic acid 150-13-0 DTXSID6024466 ER Pathway Model, Agonist Model Score 0 Unitless NC1=CC=C(C=C1)C(O)=O 4-Aminobenzoic acid 150-13-0|4-Aminobenzoic acid|1-Amino-4-carboxybenzene|4-Aminobenzenecarboxylic acid|4-Aminobenzoate|4-AMINOBENZOESAEURE|4-Aminobenzoesaure|4-Carboxyaniline|4-Carboxyphenylamine|Acide 4-aminobenzoique|acido 4-aminobenzoico|Acido p-aminobenzoico|Acidum paraminobenzoicum|Actipol|Amben|Aminobenzoate|Aminobenzoic acid|Aniline-4-carboxylate|Aniline-4-carboxylic acid|Anti-Chromotrichia factor|Anticanitic vitamin|Anticantic vitamin|Antichromotrichia factor|Bacterial vitamin H1|Benzoic acid, 4-amino-|Benzoic acid, p-amino-|BRN 0471605|Caswell No. 033B|Chromotrichia factor|EINECS 205-753-0|EPA Pesticide Chemical Code 233300|gamma-Aminobenzoate|gamma-Aminobenzoic acid|Hachemina|Kyselina p-aminobenzoova|NSC 7627|p-Amino-Benzoate|p-Amino-Benzoic acid|p-Aminobenzoesaeure|P-AMINOBENZOIC ACID|p-Carboxyaniline|p-Carboxyphenylamine|PAB|PABA|Pabacyd|Pabafilm|Pabagel|Pabamine|Pabanol|Papacidum|Para-aminobenzoate|para-aminobenzoic acid|Paraminol|Paranate|Potaba|Romavit|Rvpaba|RVPaba Lipstick|Sunbrella|Super Shade by Coppertone|Trichochromogenic factor|Trochr|8014-65-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024466 https://doi.org/10.22427/NTP-DATA-DTXSID6024466
ERPathway2016 ERPathway2016_1317 4-Aminobenzoic acid 150-13-0 DTXSID6024466 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(C=C1)C(O)=O 4-Aminobenzoic acid 150-13-0|4-Aminobenzoic acid|1-Amino-4-carboxybenzene|4-Aminobenzenecarboxylic acid|4-Aminobenzoate|4-AMINOBENZOESAEURE|4-Aminobenzoesaure|4-Carboxyaniline|4-Carboxyphenylamine|Acide 4-aminobenzoique|acido 4-aminobenzoico|Acido p-aminobenzoico|Acidum paraminobenzoicum|Actipol|Amben|Aminobenzoate|Aminobenzoic acid|Aniline-4-carboxylate|Aniline-4-carboxylic acid|Anti-Chromotrichia factor|Anticanitic vitamin|Anticantic vitamin|Antichromotrichia factor|Bacterial vitamin H1|Benzoic acid, 4-amino-|Benzoic acid, p-amino-|BRN 0471605|Caswell No. 033B|Chromotrichia factor|EINECS 205-753-0|EPA Pesticide Chemical Code 233300|gamma-Aminobenzoate|gamma-Aminobenzoic acid|Hachemina|Kyselina p-aminobenzoova|NSC 7627|p-Amino-Benzoate|p-Amino-Benzoic acid|p-Aminobenzoesaeure|P-AMINOBENZOIC ACID|p-Carboxyaniline|p-Carboxyphenylamine|PAB|PABA|Pabacyd|Pabafilm|Pabagel|Pabamine|Pabanol|Papacidum|Para-aminobenzoate|para-aminobenzoic acid|Paraminol|Paranate|Potaba|Romavit|Rvpaba|RVPaba Lipstick|Sunbrella|Super Shade by Coppertone|Trichochromogenic factor|Trochr|8014-65-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024466 https://doi.org/10.22427/NTP-DATA-DTXSID6024466
ERPathway2016 ERPathway2016_1317 4-Aminobenzoic acid 150-13-0 DTXSID6024466 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(C=C1)C(O)=O 4-Aminobenzoic acid 150-13-0|4-Aminobenzoic acid|1-Amino-4-carboxybenzene|4-Aminobenzenecarboxylic acid|4-Aminobenzoate|4-AMINOBENZOESAEURE|4-Aminobenzoesaure|4-Carboxyaniline|4-Carboxyphenylamine|Acide 4-aminobenzoique|acido 4-aminobenzoico|Acido p-aminobenzoico|Acidum paraminobenzoicum|Actipol|Amben|Aminobenzoate|Aminobenzoic acid|Aniline-4-carboxylate|Aniline-4-carboxylic acid|Anti-Chromotrichia factor|Anticanitic vitamin|Anticantic vitamin|Antichromotrichia factor|Bacterial vitamin H1|Benzoic acid, 4-amino-|Benzoic acid, p-amino-|BRN 0471605|Caswell No. 033B|Chromotrichia factor|EINECS 205-753-0|EPA Pesticide Chemical Code 233300|gamma-Aminobenzoate|gamma-Aminobenzoic acid|Hachemina|Kyselina p-aminobenzoova|NSC 7627|p-Amino-Benzoate|p-Amino-Benzoic acid|p-Aminobenzoesaeure|P-AMINOBENZOIC ACID|p-Carboxyaniline|p-Carboxyphenylamine|PAB|PABA|Pabacyd|Pabafilm|Pabagel|Pabamine|Pabanol|Papacidum|Para-aminobenzoate|para-aminobenzoic acid|Paraminol|Paranate|Potaba|Romavit|Rvpaba|RVPaba Lipstick|Sunbrella|Super Shade by Coppertone|Trichochromogenic factor|Trochr|8014-65-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024466 https://doi.org/10.22427/NTP-DATA-DTXSID6024466
ERPathway2016 ERPathway2016_1317 4-Aminobenzoic acid 150-13-0 DTXSID6024466 ER Pathway Model, Antagonist Call Inactive Unitless NC1=CC=C(C=C1)C(O)=O 4-Aminobenzoic acid 150-13-0|4-Aminobenzoic acid|1-Amino-4-carboxybenzene|4-Aminobenzenecarboxylic acid|4-Aminobenzoate|4-AMINOBENZOESAEURE|4-Aminobenzoesaure|4-Carboxyaniline|4-Carboxyphenylamine|Acide 4-aminobenzoique|acido 4-aminobenzoico|Acido p-aminobenzoico|Acidum paraminobenzoicum|Actipol|Amben|Aminobenzoate|Aminobenzoic acid|Aniline-4-carboxylate|Aniline-4-carboxylic acid|Anti-Chromotrichia factor|Anticanitic vitamin|Anticantic vitamin|Antichromotrichia factor|Bacterial vitamin H1|Benzoic acid, 4-amino-|Benzoic acid, p-amino-|BRN 0471605|Caswell No. 033B|Chromotrichia factor|EINECS 205-753-0|EPA Pesticide Chemical Code 233300|gamma-Aminobenzoate|gamma-Aminobenzoic acid|Hachemina|Kyselina p-aminobenzoova|NSC 7627|p-Amino-Benzoate|p-Amino-Benzoic acid|p-Aminobenzoesaeure|P-AMINOBENZOIC ACID|p-Carboxyaniline|p-Carboxyphenylamine|PAB|PABA|Pabacyd|Pabafilm|Pabagel|Pabamine|Pabanol|Papacidum|Para-aminobenzoate|para-aminobenzoic acid|Paraminol|Paranate|Potaba|Romavit|Rvpaba|RVPaba Lipstick|Sunbrella|Super Shade by Coppertone|Trichochromogenic factor|Trochr|8014-65-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024466 https://doi.org/10.22427/NTP-DATA-DTXSID6024466
ARPathway2016 ARPathway2016_378 4-Androstene-3,17-dione 63-05-8 DTXSID8024523 1.0 Agonist AR Pathway Model, Antagonist AC50 0.325428797 uM [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 4-Androstene-3,17-dione 63-05-8|4-Androstene-3,17-dione|(1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,14-dione|(4)-Androsten-3,17-dione|17-Ketotestosterone|3,17-Dioxoandrost-4-ene|4-Androsten-3,17-dione|4-Androstenedione|Androst-4-en-3,17-dion|Androst-4-ene-3 ,17-diona|Androst-4-ene-3,17-dione|androst-4-eno-3,17-diona|Androstenedione|Androtex|delta-(sup4)-Androsten-3,17-dione|delta-4-Androsten-3,17-dione|delta-4-Androstenedione|Delta(4)-androsten-3,17-dione|Delta(4)-androstene-3,17-dione|delta(sup 4)-Androstene-3,17-dione|Delta4-androstenedione|EINECS 200-554-5|Fecundin|NSC 9563|SKF 2170|UNII-409J2J96VR|D4-Androstene-3,17-dione|104534-78-3|1050678-87-9|117598-81-9|40786-82-1|846024-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024523 https://doi.org/10.22427/NTP-DATA-DTXSID8024523
ARPathway2016 ARPathway2016_378 4-Androstene-3,17-dione 63-05-8 DTXSID8024523 1.0 Agonist AR Pathway Model, Antagonist ACC 0.049702621 uM [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 4-Androstene-3,17-dione 63-05-8|4-Androstene-3,17-dione|(1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,14-dione|(4)-Androsten-3,17-dione|17-Ketotestosterone|3,17-Dioxoandrost-4-ene|4-Androsten-3,17-dione|4-Androstenedione|Androst-4-en-3,17-dion|Androst-4-ene-3 ,17-diona|Androst-4-ene-3,17-dione|androst-4-eno-3,17-diona|Androstenedione|Androtex|delta-(sup4)-Androsten-3,17-dione|delta-4-Androsten-3,17-dione|delta-4-Androstenedione|Delta(4)-androsten-3,17-dione|Delta(4)-androstene-3,17-dione|delta(sup 4)-Androstene-3,17-dione|Delta4-androstenedione|EINECS 200-554-5|Fecundin|NSC 9563|SKF 2170|UNII-409J2J96VR|D4-Androstene-3,17-dione|104534-78-3|1050678-87-9|117598-81-9|40786-82-1|846024-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024523 https://doi.org/10.22427/NTP-DATA-DTXSID8024523
ARPathway2016 ARPathway2016_378 4-Androstene-3,17-dione 63-05-8 DTXSID8024523 1.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 4-Androstene-3,17-dione 63-05-8|4-Androstene-3,17-dione|(1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,14-dione|(4)-Androsten-3,17-dione|17-Ketotestosterone|3,17-Dioxoandrost-4-ene|4-Androsten-3,17-dione|4-Androstenedione|Androst-4-en-3,17-dion|Androst-4-ene-3 ,17-diona|Androst-4-ene-3,17-dione|androst-4-eno-3,17-diona|Androstenedione|Androtex|delta-(sup4)-Androsten-3,17-dione|delta-4-Androsten-3,17-dione|delta-4-Androstenedione|Delta(4)-androsten-3,17-dione|Delta(4)-androstene-3,17-dione|delta(sup 4)-Androstene-3,17-dione|Delta4-androstenedione|EINECS 200-554-5|Fecundin|NSC 9563|SKF 2170|UNII-409J2J96VR|D4-Androstene-3,17-dione|104534-78-3|1050678-87-9|117598-81-9|40786-82-1|846024-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024523 https://doi.org/10.22427/NTP-DATA-DTXSID8024523
ARPathway2016 ARPathway2016_378 4-Androstene-3,17-dione 63-05-8 DTXSID8024523 1.0 Agonist AR Pathway Model, Agonist Model Score 1.3 Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 4-Androstene-3,17-dione 63-05-8|4-Androstene-3,17-dione|(1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,14-dione|(4)-Androsten-3,17-dione|17-Ketotestosterone|3,17-Dioxoandrost-4-ene|4-Androsten-3,17-dione|4-Androstenedione|Androst-4-en-3,17-dion|Androst-4-ene-3 ,17-diona|Androst-4-ene-3,17-dione|androst-4-eno-3,17-diona|Androstenedione|Androtex|delta-(sup4)-Androsten-3,17-dione|delta-4-Androsten-3,17-dione|delta-4-Androstenedione|Delta(4)-androsten-3,17-dione|Delta(4)-androstene-3,17-dione|delta(sup 4)-Androstene-3,17-dione|Delta4-androstenedione|EINECS 200-554-5|Fecundin|NSC 9563|SKF 2170|UNII-409J2J96VR|D4-Androstene-3,17-dione|104534-78-3|1050678-87-9|117598-81-9|40786-82-1|846024-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024523 https://doi.org/10.22427/NTP-DATA-DTXSID8024523
ARPathway2016 ARPathway2016_378 4-Androstene-3,17-dione 63-05-8 DTXSID8024523 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 4-Androstene-3,17-dione 63-05-8|4-Androstene-3,17-dione|(1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,14-dione|(4)-Androsten-3,17-dione|17-Ketotestosterone|3,17-Dioxoandrost-4-ene|4-Androsten-3,17-dione|4-Androstenedione|Androst-4-en-3,17-dion|Androst-4-ene-3 ,17-diona|Androst-4-ene-3,17-dione|androst-4-eno-3,17-diona|Androstenedione|Androtex|delta-(sup4)-Androsten-3,17-dione|delta-4-Androsten-3,17-dione|delta-4-Androstenedione|Delta(4)-androsten-3,17-dione|Delta(4)-androstene-3,17-dione|delta(sup 4)-Androstene-3,17-dione|Delta4-androstenedione|EINECS 200-554-5|Fecundin|NSC 9563|SKF 2170|UNII-409J2J96VR|D4-Androstene-3,17-dione|104534-78-3|1050678-87-9|117598-81-9|40786-82-1|846024-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024523 https://doi.org/10.22427/NTP-DATA-DTXSID8024523
ARPathway2016 ARPathway2016_378 4-Androstene-3,17-dione 63-05-8 DTXSID8024523 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 4-Androstene-3,17-dione 63-05-8|4-Androstene-3,17-dione|(1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,14-dione|(4)-Androsten-3,17-dione|17-Ketotestosterone|3,17-Dioxoandrost-4-ene|4-Androsten-3,17-dione|4-Androstenedione|Androst-4-en-3,17-dion|Androst-4-ene-3 ,17-diona|Androst-4-ene-3,17-dione|androst-4-eno-3,17-diona|Androstenedione|Androtex|delta-(sup4)-Androsten-3,17-dione|delta-4-Androsten-3,17-dione|delta-4-Androstenedione|Delta(4)-androsten-3,17-dione|Delta(4)-androstene-3,17-dione|delta(sup 4)-Androstene-3,17-dione|Delta4-androstenedione|EINECS 200-554-5|Fecundin|NSC 9563|SKF 2170|UNII-409J2J96VR|D4-Androstene-3,17-dione|104534-78-3|1050678-87-9|117598-81-9|40786-82-1|846024-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024523 https://doi.org/10.22427/NTP-DATA-DTXSID8024523
ERPathway2016 ERPathway2016_203 4-Androstene-3,17-dione 63-05-8 DTXSID8024523 Agonist ER Pathway Model, Antagonist AC50 0.0308758414104603 uM [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 4-Androstene-3,17-dione 63-05-8|4-Androstene-3,17-dione|(1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,14-dione|(4)-Androsten-3,17-dione|17-Ketotestosterone|3,17-Dioxoandrost-4-ene|4-Androsten-3,17-dione|4-Androstenedione|Androst-4-en-3,17-dion|Androst-4-ene-3 ,17-diona|Androst-4-ene-3,17-dione|androst-4-eno-3,17-diona|Androstenedione|Androtex|delta-(sup4)-Androsten-3,17-dione|delta-4-Androsten-3,17-dione|delta-4-Androstenedione|Delta(4)-androsten-3,17-dione|Delta(4)-androstene-3,17-dione|delta(sup 4)-Androstene-3,17-dione|Delta4-androstenedione|EINECS 200-554-5|Fecundin|NSC 9563|SKF 2170|UNII-409J2J96VR|D4-Androstene-3,17-dione|104534-78-3|1050678-87-9|117598-81-9|40786-82-1|846024-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024523 https://doi.org/10.22427/NTP-DATA-DTXSID8024523
ERPathway2016 ERPathway2016_203 4-Androstene-3,17-dione 63-05-8 DTXSID8024523 Agonist ER Pathway Model, Antagonist ACC 0.00414685502410049 uM [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 4-Androstene-3,17-dione 63-05-8|4-Androstene-3,17-dione|(1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,14-dione|(4)-Androsten-3,17-dione|17-Ketotestosterone|3,17-Dioxoandrost-4-ene|4-Androsten-3,17-dione|4-Androstenedione|Androst-4-en-3,17-dion|Androst-4-ene-3 ,17-diona|Androst-4-ene-3,17-dione|androst-4-eno-3,17-diona|Androstenedione|Androtex|delta-(sup4)-Androsten-3,17-dione|delta-4-Androsten-3,17-dione|delta-4-Androstenedione|Delta(4)-androsten-3,17-dione|Delta(4)-androstene-3,17-dione|delta(sup 4)-Androstene-3,17-dione|Delta4-androstenedione|EINECS 200-554-5|Fecundin|NSC 9563|SKF 2170|UNII-409J2J96VR|D4-Androstene-3,17-dione|104534-78-3|1050678-87-9|117598-81-9|40786-82-1|846024-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024523 https://doi.org/10.22427/NTP-DATA-DTXSID8024523
ERPathway2016 ERPathway2016_203 4-Androstene-3,17-dione 63-05-8 DTXSID8024523 Agonist ER Pathway Model, Agonist Model Score 0.183 Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 4-Androstene-3,17-dione 63-05-8|4-Androstene-3,17-dione|(1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,14-dione|(4)-Androsten-3,17-dione|17-Ketotestosterone|3,17-Dioxoandrost-4-ene|4-Androsten-3,17-dione|4-Androstenedione|Androst-4-en-3,17-dion|Androst-4-ene-3 ,17-diona|Androst-4-ene-3,17-dione|androst-4-eno-3,17-diona|Androstenedione|Androtex|delta-(sup4)-Androsten-3,17-dione|delta-4-Androsten-3,17-dione|delta-4-Androstenedione|Delta(4)-androsten-3,17-dione|Delta(4)-androstene-3,17-dione|delta(sup 4)-Androstene-3,17-dione|Delta4-androstenedione|EINECS 200-554-5|Fecundin|NSC 9563|SKF 2170|UNII-409J2J96VR|D4-Androstene-3,17-dione|104534-78-3|1050678-87-9|117598-81-9|40786-82-1|846024-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024523 https://doi.org/10.22427/NTP-DATA-DTXSID8024523
ERPathway2016 ERPathway2016_203 4-Androstene-3,17-dione 63-05-8 DTXSID8024523 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 4-Androstene-3,17-dione 63-05-8|4-Androstene-3,17-dione|(1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,14-dione|(4)-Androsten-3,17-dione|17-Ketotestosterone|3,17-Dioxoandrost-4-ene|4-Androsten-3,17-dione|4-Androstenedione|Androst-4-en-3,17-dion|Androst-4-ene-3 ,17-diona|Androst-4-ene-3,17-dione|androst-4-eno-3,17-diona|Androstenedione|Androtex|delta-(sup4)-Androsten-3,17-dione|delta-4-Androsten-3,17-dione|delta-4-Androstenedione|Delta(4)-androsten-3,17-dione|Delta(4)-androstene-3,17-dione|delta(sup 4)-Androstene-3,17-dione|Delta4-androstenedione|EINECS 200-554-5|Fecundin|NSC 9563|SKF 2170|UNII-409J2J96VR|D4-Androstene-3,17-dione|104534-78-3|1050678-87-9|117598-81-9|40786-82-1|846024-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024523 https://doi.org/10.22427/NTP-DATA-DTXSID8024523
ERPathway2016 ERPathway2016_203 4-Androstene-3,17-dione 63-05-8 DTXSID8024523 Agonist ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 4-Androstene-3,17-dione 63-05-8|4-Androstene-3,17-dione|(1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,14-dione|(4)-Androsten-3,17-dione|17-Ketotestosterone|3,17-Dioxoandrost-4-ene|4-Androsten-3,17-dione|4-Androstenedione|Androst-4-en-3,17-dion|Androst-4-ene-3 ,17-diona|Androst-4-ene-3,17-dione|androst-4-eno-3,17-diona|Androstenedione|Androtex|delta-(sup4)-Androsten-3,17-dione|delta-4-Androsten-3,17-dione|delta-4-Androstenedione|Delta(4)-androsten-3,17-dione|Delta(4)-androstene-3,17-dione|delta(sup 4)-Androstene-3,17-dione|Delta4-androstenedione|EINECS 200-554-5|Fecundin|NSC 9563|SKF 2170|UNII-409J2J96VR|D4-Androstene-3,17-dione|104534-78-3|1050678-87-9|117598-81-9|40786-82-1|846024-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024523 https://doi.org/10.22427/NTP-DATA-DTXSID8024523
ERPathway2016 ERPathway2016_203 4-Androstene-3,17-dione 63-05-8 DTXSID8024523 Agonist ER Pathway Model, Antagonist Call Active Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C 4-Androstene-3,17-dione 63-05-8|4-Androstene-3,17-dione|(1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-ene-5,14-dione|(4)-Androsten-3,17-dione|17-Ketotestosterone|3,17-Dioxoandrost-4-ene|4-Androsten-3,17-dione|4-Androstenedione|Androst-4-en-3,17-dion|Androst-4-ene-3 ,17-diona|Androst-4-ene-3,17-dione|androst-4-eno-3,17-diona|Androstenedione|Androtex|delta-(sup4)-Androsten-3,17-dione|delta-4-Androsten-3,17-dione|delta-4-Androstenedione|Delta(4)-androsten-3,17-dione|Delta(4)-androstene-3,17-dione|delta(sup 4)-Androstene-3,17-dione|Delta4-androstenedione|EINECS 200-554-5|Fecundin|NSC 9563|SKF 2170|UNII-409J2J96VR|D4-Androstene-3,17-dione|104534-78-3|1050678-87-9|117598-81-9|40786-82-1|846024-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024523 https://doi.org/10.22427/NTP-DATA-DTXSID8024523
ARPathway2016 ARPathway2016_1120 4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate 298198-52-4 DTXSID2047359 0.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless BrC1=CC=C(OC(=O)N2CCN3CCC2CC3)C=C1 4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate 298198-52-4|4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate|SSR-180,711|SSR180711 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047359
ARPathway2016 ARPathway2016_1120 4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate 298198-52-4 DTXSID2047359 0.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless BrC1=CC=C(OC(=O)N2CCN3CCC2CC3)C=C1 4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate 298198-52-4|4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate|SSR-180,711|SSR180711 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047359
ARPathway2016 ARPathway2016_1120 4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate 298198-52-4 DTXSID2047359 0.0 R5 AR Pathway Model, Agonist Call Inactive Unitless BrC1=CC=C(OC(=O)N2CCN3CCC2CC3)C=C1 4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate 298198-52-4|4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate|SSR-180,711|SSR180711 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047359
ARPathway2016 ARPathway2016_1120 4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate 298198-52-4 DTXSID2047359 0.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless BrC1=CC=C(OC(=O)N2CCN3CCC2CC3)C=C1 4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate 298198-52-4|4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate|SSR-180,711|SSR180711 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047359
ERPathway2016 ERPathway2016_1438 4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate 298198-52-4 DTXSID2047359 ER Pathway Model, Agonist Model Score 0 Unitless BrC1=CC=C(OC(=O)N2CCN3CCC2CC3)C=C1 4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate 298198-52-4|4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate|SSR-180,711|SSR180711 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047359
ERPathway2016 ERPathway2016_1438 4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate 298198-52-4 DTXSID2047359 ER Pathway Model, Antagonist Model Score 0 Unitless BrC1=CC=C(OC(=O)N2CCN3CCC2CC3)C=C1 4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate 298198-52-4|4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate|SSR-180,711|SSR180711 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047359
ERPathway2016 ERPathway2016_1438 4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate 298198-52-4 DTXSID2047359 ER Pathway Model, Agonist Call Inactive Unitless BrC1=CC=C(OC(=O)N2CCN3CCC2CC3)C=C1 4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate 298198-52-4|4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate|SSR-180,711|SSR180711 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047359
ERPathway2016 ERPathway2016_1438 4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate 298198-52-4 DTXSID2047359 ER Pathway Model, Antagonist Call Inactive Unitless BrC1=CC=C(OC(=O)N2CCN3CCC2CC3)C=C1 4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate 298198-52-4|4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate|SSR-180,711|SSR180711 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047359
ARPathway2016 ARPathway2016_444 4-Butylaniline 104-13-2 DTXSID8021856 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC1=CC=C(N)C=C1 4-Butylaniline 104-13-2|4-Butylaniline|1-Amino-4-butylbenzene|4-12-00-02807|4-Butylbenzenamine|Benzenamine, 4-butyl-|BRN 1447268|EINECS 203-177-4|p-Aminobutylbenzene|p-Butylaminobenzene|p-Butylaniline|p-n-Butylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021856
ARPathway2016 ARPathway2016_444 4-Butylaniline 104-13-2 DTXSID8021856 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC1=CC=C(N)C=C1 4-Butylaniline 104-13-2|4-Butylaniline|1-Amino-4-butylbenzene|4-12-00-02807|4-Butylbenzenamine|Benzenamine, 4-butyl-|BRN 1447268|EINECS 203-177-4|p-Aminobutylbenzene|p-Butylaminobenzene|p-Butylaniline|p-n-Butylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021856
ARPathway2016 ARPathway2016_444 4-Butylaniline 104-13-2 DTXSID8021856 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC1=CC=C(N)C=C1 4-Butylaniline 104-13-2|4-Butylaniline|1-Amino-4-butylbenzene|4-12-00-02807|4-Butylbenzenamine|Benzenamine, 4-butyl-|BRN 1447268|EINECS 203-177-4|p-Aminobutylbenzene|p-Butylaminobenzene|p-Butylaniline|p-n-Butylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021856
ARPathway2016 ARPathway2016_444 4-Butylaniline 104-13-2 DTXSID8021856 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC1=CC=C(N)C=C1 4-Butylaniline 104-13-2|4-Butylaniline|1-Amino-4-butylbenzene|4-12-00-02807|4-Butylbenzenamine|Benzenamine, 4-butyl-|BRN 1447268|EINECS 203-177-4|p-Aminobutylbenzene|p-Butylaminobenzene|p-Butylaniline|p-n-Butylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021856
ERPathway2016 ERPathway2016_463 4-Butylaniline 104-13-2 DTXSID8021856 ER Pathway Model, Antagonist AC50 22.9015331456977 uM CCCCC1=CC=C(N)C=C1 4-Butylaniline 104-13-2|4-Butylaniline|1-Amino-4-butylbenzene|4-12-00-02807|4-Butylbenzenamine|Benzenamine, 4-butyl-|BRN 1447268|EINECS 203-177-4|p-Aminobutylbenzene|p-Butylaminobenzene|p-Butylaniline|p-n-Butylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021856
ERPathway2016 ERPathway2016_463 4-Butylaniline 104-13-2 DTXSID8021856 ER Pathway Model, Antagonist ACC 27.3725291483028 uM CCCCC1=CC=C(N)C=C1 4-Butylaniline 104-13-2|4-Butylaniline|1-Amino-4-butylbenzene|4-12-00-02807|4-Butylbenzenamine|Benzenamine, 4-butyl-|BRN 1447268|EINECS 203-177-4|p-Aminobutylbenzene|p-Butylaminobenzene|p-Butylaniline|p-n-Butylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021856
ERPathway2016 ERPathway2016_463 4-Butylaniline 104-13-2 DTXSID8021856 ER Pathway Model, Agonist Model Score 0.00355 Unitless CCCCC1=CC=C(N)C=C1 4-Butylaniline 104-13-2|4-Butylaniline|1-Amino-4-butylbenzene|4-12-00-02807|4-Butylbenzenamine|Benzenamine, 4-butyl-|BRN 1447268|EINECS 203-177-4|p-Aminobutylbenzene|p-Butylaminobenzene|p-Butylaniline|p-n-Butylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021856
ERPathway2016 ERPathway2016_463 4-Butylaniline 104-13-2 DTXSID8021856 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC1=CC=C(N)C=C1 4-Butylaniline 104-13-2|4-Butylaniline|1-Amino-4-butylbenzene|4-12-00-02807|4-Butylbenzenamine|Benzenamine, 4-butyl-|BRN 1447268|EINECS 203-177-4|p-Aminobutylbenzene|p-Butylaminobenzene|p-Butylaniline|p-n-Butylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021856
ERPathway2016 ERPathway2016_463 4-Butylaniline 104-13-2 DTXSID8021856 ER Pathway Model, Agonist Call Inactive Unitless CCCCC1=CC=C(N)C=C1 4-Butylaniline 104-13-2|4-Butylaniline|1-Amino-4-butylbenzene|4-12-00-02807|4-Butylbenzenamine|Benzenamine, 4-butyl-|BRN 1447268|EINECS 203-177-4|p-Aminobutylbenzene|p-Butylaminobenzene|p-Butylaniline|p-n-Butylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021856
ERPathway2016 ERPathway2016_463 4-Butylaniline 104-13-2 DTXSID8021856 ER Pathway Model, Antagonist Call Active Unitless CCCCC1=CC=C(N)C=C1 4-Butylaniline 104-13-2|4-Butylaniline|1-Amino-4-butylbenzene|4-12-00-02807|4-Butylbenzenamine|Benzenamine, 4-butyl-|BRN 1447268|EINECS 203-177-4|p-Aminobutylbenzene|p-Butylaminobenzene|p-Butylaniline|p-n-Butylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021856
ARPathway2016 ARPathway2016_893 4-Butylchlorobenzene 15499-27-1 DTXSID9048192 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC1=CC=C(Cl)C=C1 4-Butylchlorobenzene 15499-27-1|4-Butylchlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048192
ARPathway2016 ARPathway2016_893 4-Butylchlorobenzene 15499-27-1 DTXSID9048192 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC1=CC=C(Cl)C=C1 4-Butylchlorobenzene 15499-27-1|4-Butylchlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048192
ARPathway2016 ARPathway2016_893 4-Butylchlorobenzene 15499-27-1 DTXSID9048192 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC1=CC=C(Cl)C=C1 4-Butylchlorobenzene 15499-27-1|4-Butylchlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048192
ARPathway2016 ARPathway2016_893 4-Butylchlorobenzene 15499-27-1 DTXSID9048192 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC1=CC=C(Cl)C=C1 4-Butylchlorobenzene 15499-27-1|4-Butylchlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048192
ERPathway2016 ERPathway2016_1326 4-Butylchlorobenzene 15499-27-1 DTXSID9048192 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC1=CC=C(Cl)C=C1 4-Butylchlorobenzene 15499-27-1|4-Butylchlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048192
ERPathway2016 ERPathway2016_1326 4-Butylchlorobenzene 15499-27-1 DTXSID9048192 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC1=CC=C(Cl)C=C1 4-Butylchlorobenzene 15499-27-1|4-Butylchlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048192
ERPathway2016 ERPathway2016_1326 4-Butylchlorobenzene 15499-27-1 DTXSID9048192 ER Pathway Model, Agonist Call Inactive Unitless CCCCC1=CC=C(Cl)C=C1 4-Butylchlorobenzene 15499-27-1|4-Butylchlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048192
ERPathway2016 ERPathway2016_1326 4-Butylchlorobenzene 15499-27-1 DTXSID9048192 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC1=CC=C(Cl)C=C1 4-Butylchlorobenzene 15499-27-1|4-Butylchlorobenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048192
ARPathway2016 ARPathway2016_1505 4-Butylcyclohexanol 70568-60-4 DTXSID6048204 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC1CCC(O)CC1 4-Butylcyclohexanol 70568-60-4|4-Butylcyclohexanol|4-n-butylcyclohexanol https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048204
ARPathway2016 ARPathway2016_1505 4-Butylcyclohexanol 70568-60-4 DTXSID6048204 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC1CCC(O)CC1 4-Butylcyclohexanol 70568-60-4|4-Butylcyclohexanol|4-n-butylcyclohexanol https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048204
ARPathway2016 ARPathway2016_1505 4-Butylcyclohexanol 70568-60-4 DTXSID6048204 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC1CCC(O)CC1 4-Butylcyclohexanol 70568-60-4|4-Butylcyclohexanol|4-n-butylcyclohexanol https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048204
ARPathway2016 ARPathway2016_1505 4-Butylcyclohexanol 70568-60-4 DTXSID6048204 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC1CCC(O)CC1 4-Butylcyclohexanol 70568-60-4|4-Butylcyclohexanol|4-n-butylcyclohexanol https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048204
ERPathway2016 ERPathway2016_1045 4-Butylcyclohexanol 70568-60-4 DTXSID6048204 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC1CCC(O)CC1 4-Butylcyclohexanol 70568-60-4|4-Butylcyclohexanol|4-n-butylcyclohexanol https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048204
ERPathway2016 ERPathway2016_1045 4-Butylcyclohexanol 70568-60-4 DTXSID6048204 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC1CCC(O)CC1 4-Butylcyclohexanol 70568-60-4|4-Butylcyclohexanol|4-n-butylcyclohexanol https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048204
ERPathway2016 ERPathway2016_1045 4-Butylcyclohexanol 70568-60-4 DTXSID6048204 ER Pathway Model, Agonist Call Inactive Unitless CCCCC1CCC(O)CC1 4-Butylcyclohexanol 70568-60-4|4-Butylcyclohexanol|4-n-butylcyclohexanol https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048204
ERPathway2016 ERPathway2016_1045 4-Butylcyclohexanol 70568-60-4 DTXSID6048204 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC1CCC(O)CC1 4-Butylcyclohexanol 70568-60-4|4-Butylcyclohexanol|4-n-butylcyclohexanol https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048204
ARPathway2016 ARPathway2016_1205 4-Butyloxyaniline 4344-55-2 DTXSID4048199 1.0 A7 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOC1=CC=C(N)C=C1 4-Butyloxyaniline 4344-55-2|4-Butyloxyaniline|4-13-00-01018|Aminophenyl-n-butyl ether|BRN 2084421|EINECS 224-402-2|NSC 5443|p-Aminophenol n-butyl ether|p-Butoxyaniline|p-Butyloxyaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048199
ARPathway2016 ARPathway2016_1205 4-Butyloxyaniline 4344-55-2 DTXSID4048199 1.0 A7 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOC1=CC=C(N)C=C1 4-Butyloxyaniline 4344-55-2|4-Butyloxyaniline|4-13-00-01018|Aminophenyl-n-butyl ether|BRN 2084421|EINECS 224-402-2|NSC 5443|p-Aminophenol n-butyl ether|p-Butoxyaniline|p-Butyloxyaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048199
ARPathway2016 ARPathway2016_1205 4-Butyloxyaniline 4344-55-2 DTXSID4048199 1.0 A7 AR Pathway Model, Agonist Call Inactive Unitless CCCCOC1=CC=C(N)C=C1 4-Butyloxyaniline 4344-55-2|4-Butyloxyaniline|4-13-00-01018|Aminophenyl-n-butyl ether|BRN 2084421|EINECS 224-402-2|NSC 5443|p-Aminophenol n-butyl ether|p-Butoxyaniline|p-Butyloxyaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048199
ARPathway2016 ARPathway2016_1205 4-Butyloxyaniline 4344-55-2 DTXSID4048199 1.0 A7 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOC1=CC=C(N)C=C1 4-Butyloxyaniline 4344-55-2|4-Butyloxyaniline|4-13-00-01018|Aminophenyl-n-butyl ether|BRN 2084421|EINECS 224-402-2|NSC 5443|p-Aminophenol n-butyl ether|p-Butoxyaniline|p-Butyloxyaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048199
ERPathway2016 ERPathway2016_409 4-Butyloxyaniline 4344-55-2 DTXSID4048199 ER Pathway Model, Antagonist AC50 14.4567383605144 uM CCCCOC1=CC=C(N)C=C1 4-Butyloxyaniline 4344-55-2|4-Butyloxyaniline|4-13-00-01018|Aminophenyl-n-butyl ether|BRN 2084421|EINECS 224-402-2|NSC 5443|p-Aminophenol n-butyl ether|p-Butoxyaniline|p-Butyloxyaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048199
ERPathway2016 ERPathway2016_409 4-Butyloxyaniline 4344-55-2 DTXSID4048199 ER Pathway Model, Antagonist ACC 17.1843314197824 uM CCCCOC1=CC=C(N)C=C1 4-Butyloxyaniline 4344-55-2|4-Butyloxyaniline|4-13-00-01018|Aminophenyl-n-butyl ether|BRN 2084421|EINECS 224-402-2|NSC 5443|p-Aminophenol n-butyl ether|p-Butoxyaniline|p-Butyloxyaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048199
ERPathway2016 ERPathway2016_409 4-Butyloxyaniline 4344-55-2 DTXSID4048199 ER Pathway Model, Agonist Model Score 0.00848 Unitless CCCCOC1=CC=C(N)C=C1 4-Butyloxyaniline 4344-55-2|4-Butyloxyaniline|4-13-00-01018|Aminophenyl-n-butyl ether|BRN 2084421|EINECS 224-402-2|NSC 5443|p-Aminophenol n-butyl ether|p-Butoxyaniline|p-Butyloxyaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048199
ERPathway2016 ERPathway2016_409 4-Butyloxyaniline 4344-55-2 DTXSID4048199 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOC1=CC=C(N)C=C1 4-Butyloxyaniline 4344-55-2|4-Butyloxyaniline|4-13-00-01018|Aminophenyl-n-butyl ether|BRN 2084421|EINECS 224-402-2|NSC 5443|p-Aminophenol n-butyl ether|p-Butoxyaniline|p-Butyloxyaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048199
ERPathway2016 ERPathway2016_409 4-Butyloxyaniline 4344-55-2 DTXSID4048199 ER Pathway Model, Agonist Call Inactive Unitless CCCCOC1=CC=C(N)C=C1 4-Butyloxyaniline 4344-55-2|4-Butyloxyaniline|4-13-00-01018|Aminophenyl-n-butyl ether|BRN 2084421|EINECS 224-402-2|NSC 5443|p-Aminophenol n-butyl ether|p-Butoxyaniline|p-Butyloxyaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048199
ERPathway2016 ERPathway2016_409 4-Butyloxyaniline 4344-55-2 DTXSID4048199 ER Pathway Model, Antagonist Call Active Unitless CCCCOC1=CC=C(N)C=C1 4-Butyloxyaniline 4344-55-2|4-Butyloxyaniline|4-13-00-01018|Aminophenyl-n-butyl ether|BRN 2084421|EINECS 224-402-2|NSC 5443|p-Aminophenol n-butyl ether|p-Butoxyaniline|p-Butyloxyaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048199
ARPathway2016 ARPathway2016_918 4-Butylphenol 1638-22-8 DTXSID3047425 1.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC1=CC=C(O)C=C1 4-Butylphenol 1638-22-8|4-Butylphenol|1-(p-Hydroxyphenyl)butane|1-Hydroxy-4-n-butylbenzene|4-n-Butylphenol|BRN 2042120|EINECS 216-672-5|NSC 407848|p-Butylphenol|p-Hydroxy-n-butylbenzene|p-Hydroxybutylbenzene|p-n-Butylphenol|Phenol, 4-butyl|Phenol, 4-butyl-|Phenol, p-butyl-|UNII-22985E4F3Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047425
ARPathway2016 ARPathway2016_918 4-Butylphenol 1638-22-8 DTXSID3047425 1.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC1=CC=C(O)C=C1 4-Butylphenol 1638-22-8|4-Butylphenol|1-(p-Hydroxyphenyl)butane|1-Hydroxy-4-n-butylbenzene|4-n-Butylphenol|BRN 2042120|EINECS 216-672-5|NSC 407848|p-Butylphenol|p-Hydroxy-n-butylbenzene|p-Hydroxybutylbenzene|p-n-Butylphenol|Phenol, 4-butyl|Phenol, 4-butyl-|Phenol, p-butyl-|UNII-22985E4F3Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047425
ARPathway2016 ARPathway2016_918 4-Butylphenol 1638-22-8 DTXSID3047425 1.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC1=CC=C(O)C=C1 4-Butylphenol 1638-22-8|4-Butylphenol|1-(p-Hydroxyphenyl)butane|1-Hydroxy-4-n-butylbenzene|4-n-Butylphenol|BRN 2042120|EINECS 216-672-5|NSC 407848|p-Butylphenol|p-Hydroxy-n-butylbenzene|p-Hydroxybutylbenzene|p-n-Butylphenol|Phenol, 4-butyl|Phenol, 4-butyl-|Phenol, p-butyl-|UNII-22985E4F3Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047425
ARPathway2016 ARPathway2016_918 4-Butylphenol 1638-22-8 DTXSID3047425 1.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC1=CC=C(O)C=C1 4-Butylphenol 1638-22-8|4-Butylphenol|1-(p-Hydroxyphenyl)butane|1-Hydroxy-4-n-butylbenzene|4-n-Butylphenol|BRN 2042120|EINECS 216-672-5|NSC 407848|p-Butylphenol|p-Hydroxy-n-butylbenzene|p-Hydroxybutylbenzene|p-n-Butylphenol|Phenol, 4-butyl|Phenol, 4-butyl-|Phenol, p-butyl-|UNII-22985E4F3Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047425
ERPathway2016 ERPathway2016_230 4-Butylphenol 1638-22-8 DTXSID3047425 Agonist ER Pathway Model, Antagonist AC50 17.3965521950111 uM CCCCC1=CC=C(O)C=C1 4-Butylphenol 1638-22-8|4-Butylphenol|1-(p-Hydroxyphenyl)butane|1-Hydroxy-4-n-butylbenzene|4-n-Butylphenol|BRN 2042120|EINECS 216-672-5|NSC 407848|p-Butylphenol|p-Hydroxy-n-butylbenzene|p-Hydroxybutylbenzene|p-n-Butylphenol|Phenol, 4-butyl|Phenol, 4-butyl-|Phenol, p-butyl-|UNII-22985E4F3Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047425
ERPathway2016 ERPathway2016_230 4-Butylphenol 1638-22-8 DTXSID3047425 Agonist ER Pathway Model, Antagonist ACC 7.26410978955026 uM CCCCC1=CC=C(O)C=C1 4-Butylphenol 1638-22-8|4-Butylphenol|1-(p-Hydroxyphenyl)butane|1-Hydroxy-4-n-butylbenzene|4-n-Butylphenol|BRN 2042120|EINECS 216-672-5|NSC 407848|p-Butylphenol|p-Hydroxy-n-butylbenzene|p-Hydroxybutylbenzene|p-n-Butylphenol|Phenol, 4-butyl|Phenol, 4-butyl-|Phenol, p-butyl-|UNII-22985E4F3Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047425
ERPathway2016 ERPathway2016_230 4-Butylphenol 1638-22-8 DTXSID3047425 Agonist ER Pathway Model, Agonist Model Score 0.111 Unitless CCCCC1=CC=C(O)C=C1 4-Butylphenol 1638-22-8|4-Butylphenol|1-(p-Hydroxyphenyl)butane|1-Hydroxy-4-n-butylbenzene|4-n-Butylphenol|BRN 2042120|EINECS 216-672-5|NSC 407848|p-Butylphenol|p-Hydroxy-n-butylbenzene|p-Hydroxybutylbenzene|p-n-Butylphenol|Phenol, 4-butyl|Phenol, 4-butyl-|Phenol, p-butyl-|UNII-22985E4F3Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047425
ERPathway2016 ERPathway2016_230 4-Butylphenol 1638-22-8 DTXSID3047425 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC1=CC=C(O)C=C1 4-Butylphenol 1638-22-8|4-Butylphenol|1-(p-Hydroxyphenyl)butane|1-Hydroxy-4-n-butylbenzene|4-n-Butylphenol|BRN 2042120|EINECS 216-672-5|NSC 407848|p-Butylphenol|p-Hydroxy-n-butylbenzene|p-Hydroxybutylbenzene|p-n-Butylphenol|Phenol, 4-butyl|Phenol, 4-butyl-|Phenol, p-butyl-|UNII-22985E4F3Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047425
ERPathway2016 ERPathway2016_230 4-Butylphenol 1638-22-8 DTXSID3047425 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCCCC1=CC=C(O)C=C1 4-Butylphenol 1638-22-8|4-Butylphenol|1-(p-Hydroxyphenyl)butane|1-Hydroxy-4-n-butylbenzene|4-n-Butylphenol|BRN 2042120|EINECS 216-672-5|NSC 407848|p-Butylphenol|p-Hydroxy-n-butylbenzene|p-Hydroxybutylbenzene|p-n-Butylphenol|Phenol, 4-butyl|Phenol, 4-butyl-|Phenol, p-butyl-|UNII-22985E4F3Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047425
ERPathway2016 ERPathway2016_230 4-Butylphenol 1638-22-8 DTXSID3047425 Agonist ER Pathway Model, Antagonist Call Active Unitless CCCCC1=CC=C(O)C=C1 4-Butylphenol 1638-22-8|4-Butylphenol|1-(p-Hydroxyphenyl)butane|1-Hydroxy-4-n-butylbenzene|4-n-Butylphenol|BRN 2042120|EINECS 216-672-5|NSC 407848|p-Butylphenol|p-Hydroxy-n-butylbenzene|p-Hydroxybutylbenzene|p-n-Butylphenol|Phenol, 4-butyl|Phenol, 4-butyl-|Phenol, p-butyl-|UNII-22985E4F3Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047425
ARPathway2016 ARPathway2016_315 4-Chloro-1,2-diaminobenzene 95-83-0 DTXSID5020283 1.0 A10 AR Pathway Model, Agonist AC50 33.954730774808 uM NC1=C(N)C=C(Cl)C=C1 4-Chloro-1,2-diaminobenzene 95-83-0|4-Chloro-1,2-diaminobenzene|1,2-Benzenediamine, 4-chloro-|1,2-Diamino-4-chlorobenzene|2-Amino-4-chloroaniline|3,4-Diamino-1-chlorobenzene|3,4-Diaminochlorobenzene|4-13-00-00068|4-Chloro-1,2-benzenediamine|4-Chloro-1,2-phenylenediamine|4-Chloro-o-phenylenediamine|4-Chloro-ortho-phenylenediamine|BRN 0508472|EINECS 202-456-8|NCI-C03292|NSC 6157|p-Chloro-o-phenylenediamine|Ursol Olive 6G https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020283 https://doi.org/10.22427/NTP-DATA-DTXSID5020283
ARPathway2016 ARPathway2016_315 4-Chloro-1,2-diaminobenzene 95-83-0 DTXSID5020283 1.0 A10 AR Pathway Model, Agonist ACC 46.46060065 uM NC1=C(N)C=C(Cl)C=C1 4-Chloro-1,2-diaminobenzene 95-83-0|4-Chloro-1,2-diaminobenzene|1,2-Benzenediamine, 4-chloro-|1,2-Diamino-4-chlorobenzene|2-Amino-4-chloroaniline|3,4-Diamino-1-chlorobenzene|3,4-Diaminochlorobenzene|4-13-00-00068|4-Chloro-1,2-benzenediamine|4-Chloro-1,2-phenylenediamine|4-Chloro-o-phenylenediamine|4-Chloro-ortho-phenylenediamine|BRN 0508472|EINECS 202-456-8|NCI-C03292|NSC 6157|p-Chloro-o-phenylenediamine|Ursol Olive 6G https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020283 https://doi.org/10.22427/NTP-DATA-DTXSID5020283
ARPathway2016 ARPathway2016_315 4-Chloro-1,2-diaminobenzene 95-83-0 DTXSID5020283 1.0 A10 AR Pathway Model, Antagonist Model Score 0.04 Unitless NC1=C(N)C=C(Cl)C=C1 4-Chloro-1,2-diaminobenzene 95-83-0|4-Chloro-1,2-diaminobenzene|1,2-Benzenediamine, 4-chloro-|1,2-Diamino-4-chlorobenzene|2-Amino-4-chloroaniline|3,4-Diamino-1-chlorobenzene|3,4-Diaminochlorobenzene|4-13-00-00068|4-Chloro-1,2-benzenediamine|4-Chloro-1,2-phenylenediamine|4-Chloro-o-phenylenediamine|4-Chloro-ortho-phenylenediamine|BRN 0508472|EINECS 202-456-8|NCI-C03292|NSC 6157|p-Chloro-o-phenylenediamine|Ursol Olive 6G https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020283 https://doi.org/10.22427/NTP-DATA-DTXSID5020283
ARPathway2016 ARPathway2016_315 4-Chloro-1,2-diaminobenzene 95-83-0 DTXSID5020283 1.0 A10 AR Pathway Model, Agonist Model Score 0.00321 Unitless NC1=C(N)C=C(Cl)C=C1 4-Chloro-1,2-diaminobenzene 95-83-0|4-Chloro-1,2-diaminobenzene|1,2-Benzenediamine, 4-chloro-|1,2-Diamino-4-chlorobenzene|2-Amino-4-chloroaniline|3,4-Diamino-1-chlorobenzene|3,4-Diaminochlorobenzene|4-13-00-00068|4-Chloro-1,2-benzenediamine|4-Chloro-1,2-phenylenediamine|4-Chloro-o-phenylenediamine|4-Chloro-ortho-phenylenediamine|BRN 0508472|EINECS 202-456-8|NCI-C03292|NSC 6157|p-Chloro-o-phenylenediamine|Ursol Olive 6G https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020283 https://doi.org/10.22427/NTP-DATA-DTXSID5020283
ARPathway2016 ARPathway2016_315 4-Chloro-1,2-diaminobenzene 95-83-0 DTXSID5020283 1.0 A10 AR Pathway Model, Agonist Call Active Unitless NC1=C(N)C=C(Cl)C=C1 4-Chloro-1,2-diaminobenzene 95-83-0|4-Chloro-1,2-diaminobenzene|1,2-Benzenediamine, 4-chloro-|1,2-Diamino-4-chlorobenzene|2-Amino-4-chloroaniline|3,4-Diamino-1-chlorobenzene|3,4-Diaminochlorobenzene|4-13-00-00068|4-Chloro-1,2-benzenediamine|4-Chloro-1,2-phenylenediamine|4-Chloro-o-phenylenediamine|4-Chloro-ortho-phenylenediamine|BRN 0508472|EINECS 202-456-8|NCI-C03292|NSC 6157|p-Chloro-o-phenylenediamine|Ursol Olive 6G https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020283 https://doi.org/10.22427/NTP-DATA-DTXSID5020283
ARPathway2016 ARPathway2016_315 4-Chloro-1,2-diaminobenzene 95-83-0 DTXSID5020283 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless NC1=C(N)C=C(Cl)C=C1 4-Chloro-1,2-diaminobenzene 95-83-0|4-Chloro-1,2-diaminobenzene|1,2-Benzenediamine, 4-chloro-|1,2-Diamino-4-chlorobenzene|2-Amino-4-chloroaniline|3,4-Diamino-1-chlorobenzene|3,4-Diaminochlorobenzene|4-13-00-00068|4-Chloro-1,2-benzenediamine|4-Chloro-1,2-phenylenediamine|4-Chloro-o-phenylenediamine|4-Chloro-ortho-phenylenediamine|BRN 0508472|EINECS 202-456-8|NCI-C03292|NSC 6157|p-Chloro-o-phenylenediamine|Ursol Olive 6G https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020283 https://doi.org/10.22427/NTP-DATA-DTXSID5020283
ERPathway2016 ERPathway2016_641 4-Chloro-1,2-diaminobenzene 95-83-0 DTXSID5020283 ER Pathway Model, Agonist Model Score 0 Unitless NC1=C(N)C=C(Cl)C=C1 4-Chloro-1,2-diaminobenzene 95-83-0|4-Chloro-1,2-diaminobenzene|1,2-Benzenediamine, 4-chloro-|1,2-Diamino-4-chlorobenzene|2-Amino-4-chloroaniline|3,4-Diamino-1-chlorobenzene|3,4-Diaminochlorobenzene|4-13-00-00068|4-Chloro-1,2-benzenediamine|4-Chloro-1,2-phenylenediamine|4-Chloro-o-phenylenediamine|4-Chloro-ortho-phenylenediamine|BRN 0508472|EINECS 202-456-8|NCI-C03292|NSC 6157|p-Chloro-o-phenylenediamine|Ursol Olive 6G https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020283 https://doi.org/10.22427/NTP-DATA-DTXSID5020283
ERPathway2016 ERPathway2016_641 4-Chloro-1,2-diaminobenzene 95-83-0 DTXSID5020283 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=C(N)C=C(Cl)C=C1 4-Chloro-1,2-diaminobenzene 95-83-0|4-Chloro-1,2-diaminobenzene|1,2-Benzenediamine, 4-chloro-|1,2-Diamino-4-chlorobenzene|2-Amino-4-chloroaniline|3,4-Diamino-1-chlorobenzene|3,4-Diaminochlorobenzene|4-13-00-00068|4-Chloro-1,2-benzenediamine|4-Chloro-1,2-phenylenediamine|4-Chloro-o-phenylenediamine|4-Chloro-ortho-phenylenediamine|BRN 0508472|EINECS 202-456-8|NCI-C03292|NSC 6157|p-Chloro-o-phenylenediamine|Ursol Olive 6G https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020283 https://doi.org/10.22427/NTP-DATA-DTXSID5020283
ERPathway2016 ERPathway2016_641 4-Chloro-1,2-diaminobenzene 95-83-0 DTXSID5020283 ER Pathway Model, Agonist Call Inactive Unitless NC1=C(N)C=C(Cl)C=C1 4-Chloro-1,2-diaminobenzene 95-83-0|4-Chloro-1,2-diaminobenzene|1,2-Benzenediamine, 4-chloro-|1,2-Diamino-4-chlorobenzene|2-Amino-4-chloroaniline|3,4-Diamino-1-chlorobenzene|3,4-Diaminochlorobenzene|4-13-00-00068|4-Chloro-1,2-benzenediamine|4-Chloro-1,2-phenylenediamine|4-Chloro-o-phenylenediamine|4-Chloro-ortho-phenylenediamine|BRN 0508472|EINECS 202-456-8|NCI-C03292|NSC 6157|p-Chloro-o-phenylenediamine|Ursol Olive 6G https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020283 https://doi.org/10.22427/NTP-DATA-DTXSID5020283
ERPathway2016 ERPathway2016_641 4-Chloro-1,2-diaminobenzene 95-83-0 DTXSID5020283 ER Pathway Model, Antagonist Call Inactive Unitless NC1=C(N)C=C(Cl)C=C1 4-Chloro-1,2-diaminobenzene 95-83-0|4-Chloro-1,2-diaminobenzene|1,2-Benzenediamine, 4-chloro-|1,2-Diamino-4-chlorobenzene|2-Amino-4-chloroaniline|3,4-Diamino-1-chlorobenzene|3,4-Diaminochlorobenzene|4-13-00-00068|4-Chloro-1,2-benzenediamine|4-Chloro-1,2-phenylenediamine|4-Chloro-o-phenylenediamine|4-Chloro-ortho-phenylenediamine|BRN 0508472|EINECS 202-456-8|NCI-C03292|NSC 6157|p-Chloro-o-phenylenediamine|Ursol Olive 6G https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020283 https://doi.org/10.22427/NTP-DATA-DTXSID5020283
ARPathway2016 ARPathway2016_37 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3 DTXSID9034492 FLAG: Antagonist shift, but CI overlap 2.0 AR Pathway Model, Agonist AC50 30.77516888 uM CN(C)S(=O)(=O)N1C(=NC(Cl)=C1C1=CC=C(C)C=C1)C#N 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|(4-Chloro-2-cyano-N,N-dimethyl-5-p-tolylimidazole-1-sulfonamide)|1H-Imidazole-1-sulfonamide, 4-chloro-2-cyano-N,N-dimethyl-5-(4- methylphenyl)-|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|Cyazofamid|IKF-916|UNII-QJC4S2YQ4B|1135441-24-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034492
ARPathway2016 ARPathway2016_37 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3 DTXSID9034492 FLAG: Antagonist shift, but CI overlap 2.0 AR Pathway Model, Agonist ACC 33.87098564 uM CN(C)S(=O)(=O)N1C(=NC(Cl)=C1C1=CC=C(C)C=C1)C#N 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|(4-Chloro-2-cyano-N,N-dimethyl-5-p-tolylimidazole-1-sulfonamide)|1H-Imidazole-1-sulfonamide, 4-chloro-2-cyano-N,N-dimethyl-5-(4- methylphenyl)-|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|Cyazofamid|IKF-916|UNII-QJC4S2YQ4B|1135441-24-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034492
ARPathway2016 ARPathway2016_37 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3 DTXSID9034492 FLAG: Antagonist shift, but CI overlap 2.0 AR Pathway Model, Antagonist Model Score 0.0355 Unitless CN(C)S(=O)(=O)N1C(=NC(Cl)=C1C1=CC=C(C)C=C1)C#N 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|(4-Chloro-2-cyano-N,N-dimethyl-5-p-tolylimidazole-1-sulfonamide)|1H-Imidazole-1-sulfonamide, 4-chloro-2-cyano-N,N-dimethyl-5-(4- methylphenyl)-|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|Cyazofamid|IKF-916|UNII-QJC4S2YQ4B|1135441-24-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034492
ARPathway2016 ARPathway2016_37 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3 DTXSID9034492 FLAG: Antagonist shift, but CI overlap 2.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)S(=O)(=O)N1C(=NC(Cl)=C1C1=CC=C(C)C=C1)C#N 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|(4-Chloro-2-cyano-N,N-dimethyl-5-p-tolylimidazole-1-sulfonamide)|1H-Imidazole-1-sulfonamide, 4-chloro-2-cyano-N,N-dimethyl-5-(4- methylphenyl)-|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|Cyazofamid|IKF-916|UNII-QJC4S2YQ4B|1135441-24-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034492
ARPathway2016 ARPathway2016_37 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3 DTXSID9034492 FLAG: Antagonist shift, but CI overlap 2.0 AR Pathway Model, Agonist Call Active Unitless CN(C)S(=O)(=O)N1C(=NC(Cl)=C1C1=CC=C(C)C=C1)C#N 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|(4-Chloro-2-cyano-N,N-dimethyl-5-p-tolylimidazole-1-sulfonamide)|1H-Imidazole-1-sulfonamide, 4-chloro-2-cyano-N,N-dimethyl-5-(4- methylphenyl)-|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|Cyazofamid|IKF-916|UNII-QJC4S2YQ4B|1135441-24-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034492
ARPathway2016 ARPathway2016_37 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3 DTXSID9034492 FLAG: Antagonist shift, but CI overlap 2.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)S(=O)(=O)N1C(=NC(Cl)=C1C1=CC=C(C)C=C1)C#N 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|(4-Chloro-2-cyano-N,N-dimethyl-5-p-tolylimidazole-1-sulfonamide)|1H-Imidazole-1-sulfonamide, 4-chloro-2-cyano-N,N-dimethyl-5-(4- methylphenyl)-|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|Cyazofamid|IKF-916|UNII-QJC4S2YQ4B|1135441-24-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034492
ERPathway2016 ERPathway2016_603 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3 DTXSID9034492 R8 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)S(=O)(=O)N1C(=NC(Cl)=C1C1=CC=C(C)C=C1)C#N 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|(4-Chloro-2-cyano-N,N-dimethyl-5-p-tolylimidazole-1-sulfonamide)|1H-Imidazole-1-sulfonamide, 4-chloro-2-cyano-N,N-dimethyl-5-(4- methylphenyl)-|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|Cyazofamid|IKF-916|UNII-QJC4S2YQ4B|1135441-24-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034492
ERPathway2016 ERPathway2016_603 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3 DTXSID9034492 R8 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)S(=O)(=O)N1C(=NC(Cl)=C1C1=CC=C(C)C=C1)C#N 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|(4-Chloro-2-cyano-N,N-dimethyl-5-p-tolylimidazole-1-sulfonamide)|1H-Imidazole-1-sulfonamide, 4-chloro-2-cyano-N,N-dimethyl-5-(4- methylphenyl)-|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|Cyazofamid|IKF-916|UNII-QJC4S2YQ4B|1135441-24-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034492
ERPathway2016 ERPathway2016_603 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3 DTXSID9034492 R8 ER Pathway Model, Agonist Call Inactive Unitless CN(C)S(=O)(=O)N1C(=NC(Cl)=C1C1=CC=C(C)C=C1)C#N 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|(4-Chloro-2-cyano-N,N-dimethyl-5-p-tolylimidazole-1-sulfonamide)|1H-Imidazole-1-sulfonamide, 4-chloro-2-cyano-N,N-dimethyl-5-(4- methylphenyl)-|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|Cyazofamid|IKF-916|UNII-QJC4S2YQ4B|1135441-24-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034492
ERPathway2016 ERPathway2016_603 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3 DTXSID9034492 R8 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)S(=O)(=O)N1C(=NC(Cl)=C1C1=CC=C(C)C=C1)C#N 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide 120116-88-3|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|(4-Chloro-2-cyano-N,N-dimethyl-5-p-tolylimidazole-1-sulfonamide)|1H-Imidazole-1-sulfonamide, 4-chloro-2-cyano-N,N-dimethyl-5-(4- methylphenyl)-|4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide|Cyazofamid|IKF-916|UNII-QJC4S2YQ4B|1135441-24-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034492
ARPathway2016 ARPathway2016_903 4-Chloro-2-methylphenol 1570-64-5 DTXSID5022510 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(O)C=CC(Cl)=C1 4-Chloro-2-methylphenol 1570-64-5|4-Chloro-2-methylphenol|2-Methyl-4-chlorophenol|4-06-00-01987|4-Chloro-2-cresol|4-Chloro-o-cresol|BRN 1906684|EINECS 216-381-3|NSC 2851|p-Chloro-o-cresol|Phenol, 4-chloro-2-methyl-|UNII-297V63W9RI https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022510 https://doi.org/10.22427/NTP-DATA-DTXSID5022510
ARPathway2016 ARPathway2016_903 4-Chloro-2-methylphenol 1570-64-5 DTXSID5022510 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(O)C=CC(Cl)=C1 4-Chloro-2-methylphenol 1570-64-5|4-Chloro-2-methylphenol|2-Methyl-4-chlorophenol|4-06-00-01987|4-Chloro-2-cresol|4-Chloro-o-cresol|BRN 1906684|EINECS 216-381-3|NSC 2851|p-Chloro-o-cresol|Phenol, 4-chloro-2-methyl-|UNII-297V63W9RI https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022510 https://doi.org/10.22427/NTP-DATA-DTXSID5022510
ARPathway2016 ARPathway2016_903 4-Chloro-2-methylphenol 1570-64-5 DTXSID5022510 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(O)C=CC(Cl)=C1 4-Chloro-2-methylphenol 1570-64-5|4-Chloro-2-methylphenol|2-Methyl-4-chlorophenol|4-06-00-01987|4-Chloro-2-cresol|4-Chloro-o-cresol|BRN 1906684|EINECS 216-381-3|NSC 2851|p-Chloro-o-cresol|Phenol, 4-chloro-2-methyl-|UNII-297V63W9RI https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022510 https://doi.org/10.22427/NTP-DATA-DTXSID5022510
ARPathway2016 ARPathway2016_903 4-Chloro-2-methylphenol 1570-64-5 DTXSID5022510 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(O)C=CC(Cl)=C1 4-Chloro-2-methylphenol 1570-64-5|4-Chloro-2-methylphenol|2-Methyl-4-chlorophenol|4-06-00-01987|4-Chloro-2-cresol|4-Chloro-o-cresol|BRN 1906684|EINECS 216-381-3|NSC 2851|p-Chloro-o-cresol|Phenol, 4-chloro-2-methyl-|UNII-297V63W9RI https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022510 https://doi.org/10.22427/NTP-DATA-DTXSID5022510
ERPathway2016 ERPathway2016_390 4-Chloro-2-methylphenol 1570-64-5 DTXSID5022510 ER Pathway Model, Antagonist AC50 58.6162671170134 uM CC1=C(O)C=CC(Cl)=C1 4-Chloro-2-methylphenol 1570-64-5|4-Chloro-2-methylphenol|2-Methyl-4-chlorophenol|4-06-00-01987|4-Chloro-2-cresol|4-Chloro-o-cresol|BRN 1906684|EINECS 216-381-3|NSC 2851|p-Chloro-o-cresol|Phenol, 4-chloro-2-methyl-|UNII-297V63W9RI https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022510 https://doi.org/10.22427/NTP-DATA-DTXSID5022510
ERPathway2016 ERPathway2016_390 4-Chloro-2-methylphenol 1570-64-5 DTXSID5022510 ER Pathway Model, Antagonist ACC 54.2604626129338 uM CC1=C(O)C=CC(Cl)=C1 4-Chloro-2-methylphenol 1570-64-5|4-Chloro-2-methylphenol|2-Methyl-4-chlorophenol|4-06-00-01987|4-Chloro-2-cresol|4-Chloro-o-cresol|BRN 1906684|EINECS 216-381-3|NSC 2851|p-Chloro-o-cresol|Phenol, 4-chloro-2-methyl-|UNII-297V63W9RI https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022510 https://doi.org/10.22427/NTP-DATA-DTXSID5022510
ERPathway2016 ERPathway2016_390 4-Chloro-2-methylphenol 1570-64-5 DTXSID5022510 ER Pathway Model, Agonist Model Score 0.0109 Unitless CC1=C(O)C=CC(Cl)=C1 4-Chloro-2-methylphenol 1570-64-5|4-Chloro-2-methylphenol|2-Methyl-4-chlorophenol|4-06-00-01987|4-Chloro-2-cresol|4-Chloro-o-cresol|BRN 1906684|EINECS 216-381-3|NSC 2851|p-Chloro-o-cresol|Phenol, 4-chloro-2-methyl-|UNII-297V63W9RI https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022510 https://doi.org/10.22427/NTP-DATA-DTXSID5022510
ERPathway2016 ERPathway2016_390 4-Chloro-2-methylphenol 1570-64-5 DTXSID5022510 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(O)C=CC(Cl)=C1 4-Chloro-2-methylphenol 1570-64-5|4-Chloro-2-methylphenol|2-Methyl-4-chlorophenol|4-06-00-01987|4-Chloro-2-cresol|4-Chloro-o-cresol|BRN 1906684|EINECS 216-381-3|NSC 2851|p-Chloro-o-cresol|Phenol, 4-chloro-2-methyl-|UNII-297V63W9RI https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022510 https://doi.org/10.22427/NTP-DATA-DTXSID5022510
ERPathway2016 ERPathway2016_390 4-Chloro-2-methylphenol 1570-64-5 DTXSID5022510 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(O)C=CC(Cl)=C1 4-Chloro-2-methylphenol 1570-64-5|4-Chloro-2-methylphenol|2-Methyl-4-chlorophenol|4-06-00-01987|4-Chloro-2-cresol|4-Chloro-o-cresol|BRN 1906684|EINECS 216-381-3|NSC 2851|p-Chloro-o-cresol|Phenol, 4-chloro-2-methyl-|UNII-297V63W9RI https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022510 https://doi.org/10.22427/NTP-DATA-DTXSID5022510
ERPathway2016 ERPathway2016_390 4-Chloro-2-methylphenol 1570-64-5 DTXSID5022510 ER Pathway Model, Antagonist Call Active Unitless CC1=C(O)C=CC(Cl)=C1 4-Chloro-2-methylphenol 1570-64-5|4-Chloro-2-methylphenol|2-Methyl-4-chlorophenol|4-06-00-01987|4-Chloro-2-cresol|4-Chloro-o-cresol|BRN 1906684|EINECS 216-381-3|NSC 2851|p-Chloro-o-cresol|Phenol, 4-chloro-2-methyl-|UNII-297V63W9RI https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022510 https://doi.org/10.22427/NTP-DATA-DTXSID5022510
ARPathway2016 ARPathway2016_1674 4-Chloro-3,5-dimethylphenol 88-04-0 DTXSID0032316 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(O)=CC(C)=C1Cl 4-Chloro-3,5-dimethylphenol 88-04-0|4-Chloro-3,5-dimethylphenol|2-Chloro-5-hydroxy-1,3-dimethylbenzene|2-Chloro-5-hydroxy-m-xylene|2-Chloro-m-xylenol|3,5-Dimethyl-4-chlorophenol|3,5-Xylenol, 4-chloro-|4-Chlor-3,5-xylenol|4-chloro-1-hydroxy-3,5-dimethylbenzene|4-Chloro-3,5-xylenol|4-Chloro-5,3-dimethylphenol|4-Chloro-m-xylenol|Benzytol|BRN 1862539|Caswell No. 218|chloro-xylenol|Chloroxylenol|Chloroxylenolum|Chlorxylenolum|Clorossilenolo|cloroxilenol|Dettol, liquid antiseptic|EINECS 201-793-8|EPA Pesticide Chemical Code 086801|Espadol|Finecide C 2000|Hokubarine E 400|Husept Extra|Nipacide MX|Nipacide PX|NSC 4971|Ottasept|Ottasept Extra|p-Chloro-3,5-xylenol|p-Chloro-m-xylenol|PARA-CHLORO-META-XYLENE|parachlorometaxylenol|Parametaxylenol|PCMX|Phenol, 4-chloro-3,5-dimethyl-|Phenol,4-chloro-3,5-dimethyl-|Septiderm-Hydrochloride|UNII-0F32U78V2Q|Vionexus|Willenol V|XYLENOL, META, 4-CHLORO- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032316
ARPathway2016 ARPathway2016_1674 4-Chloro-3,5-dimethylphenol 88-04-0 DTXSID0032316 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(O)=CC(C)=C1Cl 4-Chloro-3,5-dimethylphenol 88-04-0|4-Chloro-3,5-dimethylphenol|2-Chloro-5-hydroxy-1,3-dimethylbenzene|2-Chloro-5-hydroxy-m-xylene|2-Chloro-m-xylenol|3,5-Dimethyl-4-chlorophenol|3,5-Xylenol, 4-chloro-|4-Chlor-3,5-xylenol|4-chloro-1-hydroxy-3,5-dimethylbenzene|4-Chloro-3,5-xylenol|4-Chloro-5,3-dimethylphenol|4-Chloro-m-xylenol|Benzytol|BRN 1862539|Caswell No. 218|chloro-xylenol|Chloroxylenol|Chloroxylenolum|Chlorxylenolum|Clorossilenolo|cloroxilenol|Dettol, liquid antiseptic|EINECS 201-793-8|EPA Pesticide Chemical Code 086801|Espadol|Finecide C 2000|Hokubarine E 400|Husept Extra|Nipacide MX|Nipacide PX|NSC 4971|Ottasept|Ottasept Extra|p-Chloro-3,5-xylenol|p-Chloro-m-xylenol|PARA-CHLORO-META-XYLENE|parachlorometaxylenol|Parametaxylenol|PCMX|Phenol, 4-chloro-3,5-dimethyl-|Phenol,4-chloro-3,5-dimethyl-|Septiderm-Hydrochloride|UNII-0F32U78V2Q|Vionexus|Willenol V|XYLENOL, META, 4-CHLORO- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032316
ARPathway2016 ARPathway2016_1674 4-Chloro-3,5-dimethylphenol 88-04-0 DTXSID0032316 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(O)=CC(C)=C1Cl 4-Chloro-3,5-dimethylphenol 88-04-0|4-Chloro-3,5-dimethylphenol|2-Chloro-5-hydroxy-1,3-dimethylbenzene|2-Chloro-5-hydroxy-m-xylene|2-Chloro-m-xylenol|3,5-Dimethyl-4-chlorophenol|3,5-Xylenol, 4-chloro-|4-Chlor-3,5-xylenol|4-chloro-1-hydroxy-3,5-dimethylbenzene|4-Chloro-3,5-xylenol|4-Chloro-5,3-dimethylphenol|4-Chloro-m-xylenol|Benzytol|BRN 1862539|Caswell No. 218|chloro-xylenol|Chloroxylenol|Chloroxylenolum|Chlorxylenolum|Clorossilenolo|cloroxilenol|Dettol, liquid antiseptic|EINECS 201-793-8|EPA Pesticide Chemical Code 086801|Espadol|Finecide C 2000|Hokubarine E 400|Husept Extra|Nipacide MX|Nipacide PX|NSC 4971|Ottasept|Ottasept Extra|p-Chloro-3,5-xylenol|p-Chloro-m-xylenol|PARA-CHLORO-META-XYLENE|parachlorometaxylenol|Parametaxylenol|PCMX|Phenol, 4-chloro-3,5-dimethyl-|Phenol,4-chloro-3,5-dimethyl-|Septiderm-Hydrochloride|UNII-0F32U78V2Q|Vionexus|Willenol V|XYLENOL, META, 4-CHLORO- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032316
ARPathway2016 ARPathway2016_1674 4-Chloro-3,5-dimethylphenol 88-04-0 DTXSID0032316 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(O)=CC(C)=C1Cl 4-Chloro-3,5-dimethylphenol 88-04-0|4-Chloro-3,5-dimethylphenol|2-Chloro-5-hydroxy-1,3-dimethylbenzene|2-Chloro-5-hydroxy-m-xylene|2-Chloro-m-xylenol|3,5-Dimethyl-4-chlorophenol|3,5-Xylenol, 4-chloro-|4-Chlor-3,5-xylenol|4-chloro-1-hydroxy-3,5-dimethylbenzene|4-Chloro-3,5-xylenol|4-Chloro-5,3-dimethylphenol|4-Chloro-m-xylenol|Benzytol|BRN 1862539|Caswell No. 218|chloro-xylenol|Chloroxylenol|Chloroxylenolum|Chlorxylenolum|Clorossilenolo|cloroxilenol|Dettol, liquid antiseptic|EINECS 201-793-8|EPA Pesticide Chemical Code 086801|Espadol|Finecide C 2000|Hokubarine E 400|Husept Extra|Nipacide MX|Nipacide PX|NSC 4971|Ottasept|Ottasept Extra|p-Chloro-3,5-xylenol|p-Chloro-m-xylenol|PARA-CHLORO-META-XYLENE|parachlorometaxylenol|Parametaxylenol|PCMX|Phenol, 4-chloro-3,5-dimethyl-|Phenol,4-chloro-3,5-dimethyl-|Septiderm-Hydrochloride|UNII-0F32U78V2Q|Vionexus|Willenol V|XYLENOL, META, 4-CHLORO- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032316
ERPathway2016 ERPathway2016_285 4-Chloro-3,5-dimethylphenol 88-04-0 DTXSID0032316 A12 ER Pathway Model, Antagonist AC50 26.5830899111702 uM CC1=CC(O)=CC(C)=C1Cl 4-Chloro-3,5-dimethylphenol 88-04-0|4-Chloro-3,5-dimethylphenol|2-Chloro-5-hydroxy-1,3-dimethylbenzene|2-Chloro-5-hydroxy-m-xylene|2-Chloro-m-xylenol|3,5-Dimethyl-4-chlorophenol|3,5-Xylenol, 4-chloro-|4-Chlor-3,5-xylenol|4-chloro-1-hydroxy-3,5-dimethylbenzene|4-Chloro-3,5-xylenol|4-Chloro-5,3-dimethylphenol|4-Chloro-m-xylenol|Benzytol|BRN 1862539|Caswell No. 218|chloro-xylenol|Chloroxylenol|Chloroxylenolum|Chlorxylenolum|Clorossilenolo|cloroxilenol|Dettol, liquid antiseptic|EINECS 201-793-8|EPA Pesticide Chemical Code 086801|Espadol|Finecide C 2000|Hokubarine E 400|Husept Extra|Nipacide MX|Nipacide PX|NSC 4971|Ottasept|Ottasept Extra|p-Chloro-3,5-xylenol|p-Chloro-m-xylenol|PARA-CHLORO-META-XYLENE|parachlorometaxylenol|Parametaxylenol|PCMX|Phenol, 4-chloro-3,5-dimethyl-|Phenol,4-chloro-3,5-dimethyl-|Septiderm-Hydrochloride|UNII-0F32U78V2Q|Vionexus|Willenol V|XYLENOL, META, 4-CHLORO- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032316
ERPathway2016 ERPathway2016_285 4-Chloro-3,5-dimethylphenol 88-04-0 DTXSID0032316 A12 ER Pathway Model, Antagonist ACC 19.5617571911442 uM CC1=CC(O)=CC(C)=C1Cl 4-Chloro-3,5-dimethylphenol 88-04-0|4-Chloro-3,5-dimethylphenol|2-Chloro-5-hydroxy-1,3-dimethylbenzene|2-Chloro-5-hydroxy-m-xylene|2-Chloro-m-xylenol|3,5-Dimethyl-4-chlorophenol|3,5-Xylenol, 4-chloro-|4-Chlor-3,5-xylenol|4-chloro-1-hydroxy-3,5-dimethylbenzene|4-Chloro-3,5-xylenol|4-Chloro-5,3-dimethylphenol|4-Chloro-m-xylenol|Benzytol|BRN 1862539|Caswell No. 218|chloro-xylenol|Chloroxylenol|Chloroxylenolum|Chlorxylenolum|Clorossilenolo|cloroxilenol|Dettol, liquid antiseptic|EINECS 201-793-8|EPA Pesticide Chemical Code 086801|Espadol|Finecide C 2000|Hokubarine E 400|Husept Extra|Nipacide MX|Nipacide PX|NSC 4971|Ottasept|Ottasept Extra|p-Chloro-3,5-xylenol|p-Chloro-m-xylenol|PARA-CHLORO-META-XYLENE|parachlorometaxylenol|Parametaxylenol|PCMX|Phenol, 4-chloro-3,5-dimethyl-|Phenol,4-chloro-3,5-dimethyl-|Septiderm-Hydrochloride|UNII-0F32U78V2Q|Vionexus|Willenol V|XYLENOL, META, 4-CHLORO- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032316
ERPathway2016 ERPathway2016_285 4-Chloro-3,5-dimethylphenol 88-04-0 DTXSID0032316 A12 ER Pathway Model, Agonist Model Score 0.0439 Unitless CC1=CC(O)=CC(C)=C1Cl 4-Chloro-3,5-dimethylphenol 88-04-0|4-Chloro-3,5-dimethylphenol|2-Chloro-5-hydroxy-1,3-dimethylbenzene|2-Chloro-5-hydroxy-m-xylene|2-Chloro-m-xylenol|3,5-Dimethyl-4-chlorophenol|3,5-Xylenol, 4-chloro-|4-Chlor-3,5-xylenol|4-chloro-1-hydroxy-3,5-dimethylbenzene|4-Chloro-3,5-xylenol|4-Chloro-5,3-dimethylphenol|4-Chloro-m-xylenol|Benzytol|BRN 1862539|Caswell No. 218|chloro-xylenol|Chloroxylenol|Chloroxylenolum|Chlorxylenolum|Clorossilenolo|cloroxilenol|Dettol, liquid antiseptic|EINECS 201-793-8|EPA Pesticide Chemical Code 086801|Espadol|Finecide C 2000|Hokubarine E 400|Husept Extra|Nipacide MX|Nipacide PX|NSC 4971|Ottasept|Ottasept Extra|p-Chloro-3,5-xylenol|p-Chloro-m-xylenol|PARA-CHLORO-META-XYLENE|parachlorometaxylenol|Parametaxylenol|PCMX|Phenol, 4-chloro-3,5-dimethyl-|Phenol,4-chloro-3,5-dimethyl-|Septiderm-Hydrochloride|UNII-0F32U78V2Q|Vionexus|Willenol V|XYLENOL, META, 4-CHLORO- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032316
ERPathway2016 ERPathway2016_285 4-Chloro-3,5-dimethylphenol 88-04-0 DTXSID0032316 A12 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(O)=CC(C)=C1Cl 4-Chloro-3,5-dimethylphenol 88-04-0|4-Chloro-3,5-dimethylphenol|2-Chloro-5-hydroxy-1,3-dimethylbenzene|2-Chloro-5-hydroxy-m-xylene|2-Chloro-m-xylenol|3,5-Dimethyl-4-chlorophenol|3,5-Xylenol, 4-chloro-|4-Chlor-3,5-xylenol|4-chloro-1-hydroxy-3,5-dimethylbenzene|4-Chloro-3,5-xylenol|4-Chloro-5,3-dimethylphenol|4-Chloro-m-xylenol|Benzytol|BRN 1862539|Caswell No. 218|chloro-xylenol|Chloroxylenol|Chloroxylenolum|Chlorxylenolum|Clorossilenolo|cloroxilenol|Dettol, liquid antiseptic|EINECS 201-793-8|EPA Pesticide Chemical Code 086801|Espadol|Finecide C 2000|Hokubarine E 400|Husept Extra|Nipacide MX|Nipacide PX|NSC 4971|Ottasept|Ottasept Extra|p-Chloro-3,5-xylenol|p-Chloro-m-xylenol|PARA-CHLORO-META-XYLENE|parachlorometaxylenol|Parametaxylenol|PCMX|Phenol, 4-chloro-3,5-dimethyl-|Phenol,4-chloro-3,5-dimethyl-|Septiderm-Hydrochloride|UNII-0F32U78V2Q|Vionexus|Willenol V|XYLENOL, META, 4-CHLORO- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032316
ERPathway2016 ERPathway2016_285 4-Chloro-3,5-dimethylphenol 88-04-0 DTXSID0032316 A12 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(O)=CC(C)=C1Cl 4-Chloro-3,5-dimethylphenol 88-04-0|4-Chloro-3,5-dimethylphenol|2-Chloro-5-hydroxy-1,3-dimethylbenzene|2-Chloro-5-hydroxy-m-xylene|2-Chloro-m-xylenol|3,5-Dimethyl-4-chlorophenol|3,5-Xylenol, 4-chloro-|4-Chlor-3,5-xylenol|4-chloro-1-hydroxy-3,5-dimethylbenzene|4-Chloro-3,5-xylenol|4-Chloro-5,3-dimethylphenol|4-Chloro-m-xylenol|Benzytol|BRN 1862539|Caswell No. 218|chloro-xylenol|Chloroxylenol|Chloroxylenolum|Chlorxylenolum|Clorossilenolo|cloroxilenol|Dettol, liquid antiseptic|EINECS 201-793-8|EPA Pesticide Chemical Code 086801|Espadol|Finecide C 2000|Hokubarine E 400|Husept Extra|Nipacide MX|Nipacide PX|NSC 4971|Ottasept|Ottasept Extra|p-Chloro-3,5-xylenol|p-Chloro-m-xylenol|PARA-CHLORO-META-XYLENE|parachlorometaxylenol|Parametaxylenol|PCMX|Phenol, 4-chloro-3,5-dimethyl-|Phenol,4-chloro-3,5-dimethyl-|Septiderm-Hydrochloride|UNII-0F32U78V2Q|Vionexus|Willenol V|XYLENOL, META, 4-CHLORO- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032316
ERPathway2016 ERPathway2016_285 4-Chloro-3,5-dimethylphenol 88-04-0 DTXSID0032316 A12 ER Pathway Model, Antagonist Call Active Unitless CC1=CC(O)=CC(C)=C1Cl 4-Chloro-3,5-dimethylphenol 88-04-0|4-Chloro-3,5-dimethylphenol|2-Chloro-5-hydroxy-1,3-dimethylbenzene|2-Chloro-5-hydroxy-m-xylene|2-Chloro-m-xylenol|3,5-Dimethyl-4-chlorophenol|3,5-Xylenol, 4-chloro-|4-Chlor-3,5-xylenol|4-chloro-1-hydroxy-3,5-dimethylbenzene|4-Chloro-3,5-xylenol|4-Chloro-5,3-dimethylphenol|4-Chloro-m-xylenol|Benzytol|BRN 1862539|Caswell No. 218|chloro-xylenol|Chloroxylenol|Chloroxylenolum|Chlorxylenolum|Clorossilenolo|cloroxilenol|Dettol, liquid antiseptic|EINECS 201-793-8|EPA Pesticide Chemical Code 086801|Espadol|Finecide C 2000|Hokubarine E 400|Husept Extra|Nipacide MX|Nipacide PX|NSC 4971|Ottasept|Ottasept Extra|p-Chloro-3,5-xylenol|p-Chloro-m-xylenol|PARA-CHLORO-META-XYLENE|parachlorometaxylenol|Parametaxylenol|PCMX|Phenol, 4-chloro-3,5-dimethyl-|Phenol,4-chloro-3,5-dimethyl-|Septiderm-Hydrochloride|UNII-0F32U78V2Q|Vionexus|Willenol V|XYLENOL, META, 4-CHLORO- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032316
ARPathway2016 ARPathway2016_1378 4-Chloro-3-methylphenol 59-50-7 DTXSID4021717 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(Cl)C=CC(O)=C1 4-Chloro-3-methylphenol 59-50-7|4-Chloro-3-methylphenol|1-Chloro-2-methyl-4-hydroxybenzene|2-Chloro-5-hydroxytoluene|2-Chloro-hydroxytoluene|3-Methyl-4-chlorophenol|4-Chloro-1-hydroxy-3-methylbenzene|4-Chloro-3-cresol|4-Chloro-5-methylphenol|4-Chloro-m-cresol|6-Chloro-3-hydroxytoluene|6-Chloro-m-cresol|Aldecoc XD|Aptal|Baktol|Baktolan|BRN 1237629|Candaseptic|Caswell No. 185A|Chlorcresolum|Chlorkresol|Chlorkresolum|Chloro-3-cresol|Chlorocresol|Chlorocresolo|Chlorocresolum|Chlorokresolum|clorocresol|Clorocresolo|EINECS 200-431-6|EPA Pesticide Chemical Code 064206|m-Cresol, 4-chloro-|Neopredisan|NSC 4166|Ottafact|p-Chlor-m-cresol|P-CHLORO-M-CRESOL|p-Chlorocresol|para-Chloro-meta-cresol|Parmetol|Parol|PCMC|Peritonan|PHENOL, 3-METHYL-4-CHLORO-|Phenol, 4-chloro-3-methyl-|Preventol CMK|Raschit|Raschit K|Rasen-Anicon|RCRA waste number U039|UN 2669|UNII-36W53O7109 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021717 https://doi.org/10.22427/NTP-DATA-DTXSID4021717
ARPathway2016 ARPathway2016_1378 4-Chloro-3-methylphenol 59-50-7 DTXSID4021717 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(Cl)C=CC(O)=C1 4-Chloro-3-methylphenol 59-50-7|4-Chloro-3-methylphenol|1-Chloro-2-methyl-4-hydroxybenzene|2-Chloro-5-hydroxytoluene|2-Chloro-hydroxytoluene|3-Methyl-4-chlorophenol|4-Chloro-1-hydroxy-3-methylbenzene|4-Chloro-3-cresol|4-Chloro-5-methylphenol|4-Chloro-m-cresol|6-Chloro-3-hydroxytoluene|6-Chloro-m-cresol|Aldecoc XD|Aptal|Baktol|Baktolan|BRN 1237629|Candaseptic|Caswell No. 185A|Chlorcresolum|Chlorkresol|Chlorkresolum|Chloro-3-cresol|Chlorocresol|Chlorocresolo|Chlorocresolum|Chlorokresolum|clorocresol|Clorocresolo|EINECS 200-431-6|EPA Pesticide Chemical Code 064206|m-Cresol, 4-chloro-|Neopredisan|NSC 4166|Ottafact|p-Chlor-m-cresol|P-CHLORO-M-CRESOL|p-Chlorocresol|para-Chloro-meta-cresol|Parmetol|Parol|PCMC|Peritonan|PHENOL, 3-METHYL-4-CHLORO-|Phenol, 4-chloro-3-methyl-|Preventol CMK|Raschit|Raschit K|Rasen-Anicon|RCRA waste number U039|UN 2669|UNII-36W53O7109 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021717 https://doi.org/10.22427/NTP-DATA-DTXSID4021717
ARPathway2016 ARPathway2016_1378 4-Chloro-3-methylphenol 59-50-7 DTXSID4021717 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(Cl)C=CC(O)=C1 4-Chloro-3-methylphenol 59-50-7|4-Chloro-3-methylphenol|1-Chloro-2-methyl-4-hydroxybenzene|2-Chloro-5-hydroxytoluene|2-Chloro-hydroxytoluene|3-Methyl-4-chlorophenol|4-Chloro-1-hydroxy-3-methylbenzene|4-Chloro-3-cresol|4-Chloro-5-methylphenol|4-Chloro-m-cresol|6-Chloro-3-hydroxytoluene|6-Chloro-m-cresol|Aldecoc XD|Aptal|Baktol|Baktolan|BRN 1237629|Candaseptic|Caswell No. 185A|Chlorcresolum|Chlorkresol|Chlorkresolum|Chloro-3-cresol|Chlorocresol|Chlorocresolo|Chlorocresolum|Chlorokresolum|clorocresol|Clorocresolo|EINECS 200-431-6|EPA Pesticide Chemical Code 064206|m-Cresol, 4-chloro-|Neopredisan|NSC 4166|Ottafact|p-Chlor-m-cresol|P-CHLORO-M-CRESOL|p-Chlorocresol|para-Chloro-meta-cresol|Parmetol|Parol|PCMC|Peritonan|PHENOL, 3-METHYL-4-CHLORO-|Phenol, 4-chloro-3-methyl-|Preventol CMK|Raschit|Raschit K|Rasen-Anicon|RCRA waste number U039|UN 2669|UNII-36W53O7109 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021717 https://doi.org/10.22427/NTP-DATA-DTXSID4021717
ARPathway2016 ARPathway2016_1378 4-Chloro-3-methylphenol 59-50-7 DTXSID4021717 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(Cl)C=CC(O)=C1 4-Chloro-3-methylphenol 59-50-7|4-Chloro-3-methylphenol|1-Chloro-2-methyl-4-hydroxybenzene|2-Chloro-5-hydroxytoluene|2-Chloro-hydroxytoluene|3-Methyl-4-chlorophenol|4-Chloro-1-hydroxy-3-methylbenzene|4-Chloro-3-cresol|4-Chloro-5-methylphenol|4-Chloro-m-cresol|6-Chloro-3-hydroxytoluene|6-Chloro-m-cresol|Aldecoc XD|Aptal|Baktol|Baktolan|BRN 1237629|Candaseptic|Caswell No. 185A|Chlorcresolum|Chlorkresol|Chlorkresolum|Chloro-3-cresol|Chlorocresol|Chlorocresolo|Chlorocresolum|Chlorokresolum|clorocresol|Clorocresolo|EINECS 200-431-6|EPA Pesticide Chemical Code 064206|m-Cresol, 4-chloro-|Neopredisan|NSC 4166|Ottafact|p-Chlor-m-cresol|P-CHLORO-M-CRESOL|p-Chlorocresol|para-Chloro-meta-cresol|Parmetol|Parol|PCMC|Peritonan|PHENOL, 3-METHYL-4-CHLORO-|Phenol, 4-chloro-3-methyl-|Preventol CMK|Raschit|Raschit K|Rasen-Anicon|RCRA waste number U039|UN 2669|UNII-36W53O7109 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021717 https://doi.org/10.22427/NTP-DATA-DTXSID4021717
ERPathway2016 ERPathway2016_312 4-Chloro-3-methylphenol 59-50-7 DTXSID4021717 ER Pathway Model, Antagonist AC50 49.98781682522 uM CC1=C(Cl)C=CC(O)=C1 4-Chloro-3-methylphenol 59-50-7|4-Chloro-3-methylphenol|1-Chloro-2-methyl-4-hydroxybenzene|2-Chloro-5-hydroxytoluene|2-Chloro-hydroxytoluene|3-Methyl-4-chlorophenol|4-Chloro-1-hydroxy-3-methylbenzene|4-Chloro-3-cresol|4-Chloro-5-methylphenol|4-Chloro-m-cresol|6-Chloro-3-hydroxytoluene|6-Chloro-m-cresol|Aldecoc XD|Aptal|Baktol|Baktolan|BRN 1237629|Candaseptic|Caswell No. 185A|Chlorcresolum|Chlorkresol|Chlorkresolum|Chloro-3-cresol|Chlorocresol|Chlorocresolo|Chlorocresolum|Chlorokresolum|clorocresol|Clorocresolo|EINECS 200-431-6|EPA Pesticide Chemical Code 064206|m-Cresol, 4-chloro-|Neopredisan|NSC 4166|Ottafact|p-Chlor-m-cresol|P-CHLORO-M-CRESOL|p-Chlorocresol|para-Chloro-meta-cresol|Parmetol|Parol|PCMC|Peritonan|PHENOL, 3-METHYL-4-CHLORO-|Phenol, 4-chloro-3-methyl-|Preventol CMK|Raschit|Raschit K|Rasen-Anicon|RCRA waste number U039|UN 2669|UNII-36W53O7109 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021717 https://doi.org/10.22427/NTP-DATA-DTXSID4021717
ERPathway2016 ERPathway2016_312 4-Chloro-3-methylphenol 59-50-7 DTXSID4021717 ER Pathway Model, Antagonist ACC 22.3812639484931 uM CC1=C(Cl)C=CC(O)=C1 4-Chloro-3-methylphenol 59-50-7|4-Chloro-3-methylphenol|1-Chloro-2-methyl-4-hydroxybenzene|2-Chloro-5-hydroxytoluene|2-Chloro-hydroxytoluene|3-Methyl-4-chlorophenol|4-Chloro-1-hydroxy-3-methylbenzene|4-Chloro-3-cresol|4-Chloro-5-methylphenol|4-Chloro-m-cresol|6-Chloro-3-hydroxytoluene|6-Chloro-m-cresol|Aldecoc XD|Aptal|Baktol|Baktolan|BRN 1237629|Candaseptic|Caswell No. 185A|Chlorcresolum|Chlorkresol|Chlorkresolum|Chloro-3-cresol|Chlorocresol|Chlorocresolo|Chlorocresolum|Chlorokresolum|clorocresol|Clorocresolo|EINECS 200-431-6|EPA Pesticide Chemical Code 064206|m-Cresol, 4-chloro-|Neopredisan|NSC 4166|Ottafact|p-Chlor-m-cresol|P-CHLORO-M-CRESOL|p-Chlorocresol|para-Chloro-meta-cresol|Parmetol|Parol|PCMC|Peritonan|PHENOL, 3-METHYL-4-CHLORO-|Phenol, 4-chloro-3-methyl-|Preventol CMK|Raschit|Raschit K|Rasen-Anicon|RCRA waste number U039|UN 2669|UNII-36W53O7109 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021717 https://doi.org/10.22427/NTP-DATA-DTXSID4021717
ERPathway2016 ERPathway2016_312 4-Chloro-3-methylphenol 59-50-7 DTXSID4021717 ER Pathway Model, Agonist Model Score 0.0285 Unitless CC1=C(Cl)C=CC(O)=C1 4-Chloro-3-methylphenol 59-50-7|4-Chloro-3-methylphenol|1-Chloro-2-methyl-4-hydroxybenzene|2-Chloro-5-hydroxytoluene|2-Chloro-hydroxytoluene|3-Methyl-4-chlorophenol|4-Chloro-1-hydroxy-3-methylbenzene|4-Chloro-3-cresol|4-Chloro-5-methylphenol|4-Chloro-m-cresol|6-Chloro-3-hydroxytoluene|6-Chloro-m-cresol|Aldecoc XD|Aptal|Baktol|Baktolan|BRN 1237629|Candaseptic|Caswell No. 185A|Chlorcresolum|Chlorkresol|Chlorkresolum|Chloro-3-cresol|Chlorocresol|Chlorocresolo|Chlorocresolum|Chlorokresolum|clorocresol|Clorocresolo|EINECS 200-431-6|EPA Pesticide Chemical Code 064206|m-Cresol, 4-chloro-|Neopredisan|NSC 4166|Ottafact|p-Chlor-m-cresol|P-CHLORO-M-CRESOL|p-Chlorocresol|para-Chloro-meta-cresol|Parmetol|Parol|PCMC|Peritonan|PHENOL, 3-METHYL-4-CHLORO-|Phenol, 4-chloro-3-methyl-|Preventol CMK|Raschit|Raschit K|Rasen-Anicon|RCRA waste number U039|UN 2669|UNII-36W53O7109 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021717 https://doi.org/10.22427/NTP-DATA-DTXSID4021717
ERPathway2016 ERPathway2016_312 4-Chloro-3-methylphenol 59-50-7 DTXSID4021717 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(Cl)C=CC(O)=C1 4-Chloro-3-methylphenol 59-50-7|4-Chloro-3-methylphenol|1-Chloro-2-methyl-4-hydroxybenzene|2-Chloro-5-hydroxytoluene|2-Chloro-hydroxytoluene|3-Methyl-4-chlorophenol|4-Chloro-1-hydroxy-3-methylbenzene|4-Chloro-3-cresol|4-Chloro-5-methylphenol|4-Chloro-m-cresol|6-Chloro-3-hydroxytoluene|6-Chloro-m-cresol|Aldecoc XD|Aptal|Baktol|Baktolan|BRN 1237629|Candaseptic|Caswell No. 185A|Chlorcresolum|Chlorkresol|Chlorkresolum|Chloro-3-cresol|Chlorocresol|Chlorocresolo|Chlorocresolum|Chlorokresolum|clorocresol|Clorocresolo|EINECS 200-431-6|EPA Pesticide Chemical Code 064206|m-Cresol, 4-chloro-|Neopredisan|NSC 4166|Ottafact|p-Chlor-m-cresol|P-CHLORO-M-CRESOL|p-Chlorocresol|para-Chloro-meta-cresol|Parmetol|Parol|PCMC|Peritonan|PHENOL, 3-METHYL-4-CHLORO-|Phenol, 4-chloro-3-methyl-|Preventol CMK|Raschit|Raschit K|Rasen-Anicon|RCRA waste number U039|UN 2669|UNII-36W53O7109 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021717 https://doi.org/10.22427/NTP-DATA-DTXSID4021717
ERPathway2016 ERPathway2016_312 4-Chloro-3-methylphenol 59-50-7 DTXSID4021717 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(Cl)C=CC(O)=C1 4-Chloro-3-methylphenol 59-50-7|4-Chloro-3-methylphenol|1-Chloro-2-methyl-4-hydroxybenzene|2-Chloro-5-hydroxytoluene|2-Chloro-hydroxytoluene|3-Methyl-4-chlorophenol|4-Chloro-1-hydroxy-3-methylbenzene|4-Chloro-3-cresol|4-Chloro-5-methylphenol|4-Chloro-m-cresol|6-Chloro-3-hydroxytoluene|6-Chloro-m-cresol|Aldecoc XD|Aptal|Baktol|Baktolan|BRN 1237629|Candaseptic|Caswell No. 185A|Chlorcresolum|Chlorkresol|Chlorkresolum|Chloro-3-cresol|Chlorocresol|Chlorocresolo|Chlorocresolum|Chlorokresolum|clorocresol|Clorocresolo|EINECS 200-431-6|EPA Pesticide Chemical Code 064206|m-Cresol, 4-chloro-|Neopredisan|NSC 4166|Ottafact|p-Chlor-m-cresol|P-CHLORO-M-CRESOL|p-Chlorocresol|para-Chloro-meta-cresol|Parmetol|Parol|PCMC|Peritonan|PHENOL, 3-METHYL-4-CHLORO-|Phenol, 4-chloro-3-methyl-|Preventol CMK|Raschit|Raschit K|Rasen-Anicon|RCRA waste number U039|UN 2669|UNII-36W53O7109 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021717 https://doi.org/10.22427/NTP-DATA-DTXSID4021717
ERPathway2016 ERPathway2016_312 4-Chloro-3-methylphenol 59-50-7 DTXSID4021717 ER Pathway Model, Antagonist Call Active Unitless CC1=C(Cl)C=CC(O)=C1 4-Chloro-3-methylphenol 59-50-7|4-Chloro-3-methylphenol|1-Chloro-2-methyl-4-hydroxybenzene|2-Chloro-5-hydroxytoluene|2-Chloro-hydroxytoluene|3-Methyl-4-chlorophenol|4-Chloro-1-hydroxy-3-methylbenzene|4-Chloro-3-cresol|4-Chloro-5-methylphenol|4-Chloro-m-cresol|6-Chloro-3-hydroxytoluene|6-Chloro-m-cresol|Aldecoc XD|Aptal|Baktol|Baktolan|BRN 1237629|Candaseptic|Caswell No. 185A|Chlorcresolum|Chlorkresol|Chlorkresolum|Chloro-3-cresol|Chlorocresol|Chlorocresolo|Chlorocresolum|Chlorokresolum|clorocresol|Clorocresolo|EINECS 200-431-6|EPA Pesticide Chemical Code 064206|m-Cresol, 4-chloro-|Neopredisan|NSC 4166|Ottafact|p-Chlor-m-cresol|P-CHLORO-M-CRESOL|p-Chlorocresol|para-Chloro-meta-cresol|Parmetol|Parol|PCMC|Peritonan|PHENOL, 3-METHYL-4-CHLORO-|Phenol, 4-chloro-3-methyl-|Preventol CMK|Raschit|Raschit K|Rasen-Anicon|RCRA waste number U039|UN 2669|UNII-36W53O7109 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021717 https://doi.org/10.22427/NTP-DATA-DTXSID4021717
ARPathway2016 ARPathway2016_475 4-Chloroaniline 106-47-8 DTXSID9020295 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(Cl)C=C1 4-Chloroaniline 106-47-8|4-Chloroaniline|1-Amino-4-chlorobenzene|4-Amino-1-chlorobenzene|4-Aminochlorobenzene|4-Chloranilin|4-Chloro-1-aminobenzene|4-Chlorobenzamine|4-Chlorobenzenamine|4-Chlorobenzeneamine|4-Chlorophenylamine|4-cloroanilina|ANILINE, 4-CHLORO-|Aniline, p-chloro-|Bencenamina, 4-cloro -|Benzenamine, 4-chloro-|Benzeneamine, 4-chloro|Caswell No. 182|Chloroaminobenzene, p-|Chloroaniline, p-|EINECS 203-401-0|EPA Pesticide Chemical Code 017203|NCI-C02039|NSC 36941|p-Aminochlorobenzene|p-Chloraniline|p-Chloroaniline|p-Chlorophenylamine|para-Chloroaniline|RCRA waste number P024|UN 2018 (DOT)|UNII-Z553SGH315 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020295 https://doi.org/10.22427/NTP-DATA-DTXSID9020295
ARPathway2016 ARPathway2016_475 4-Chloroaniline 106-47-8 DTXSID9020295 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=CC=C(Cl)C=C1 4-Chloroaniline 106-47-8|4-Chloroaniline|1-Amino-4-chlorobenzene|4-Amino-1-chlorobenzene|4-Aminochlorobenzene|4-Chloranilin|4-Chloro-1-aminobenzene|4-Chlorobenzamine|4-Chlorobenzenamine|4-Chlorobenzeneamine|4-Chlorophenylamine|4-cloroanilina|ANILINE, 4-CHLORO-|Aniline, p-chloro-|Bencenamina, 4-cloro -|Benzenamine, 4-chloro-|Benzeneamine, 4-chloro|Caswell No. 182|Chloroaminobenzene, p-|Chloroaniline, p-|EINECS 203-401-0|EPA Pesticide Chemical Code 017203|NCI-C02039|NSC 36941|p-Aminochlorobenzene|p-Chloraniline|p-Chloroaniline|p-Chlorophenylamine|para-Chloroaniline|RCRA waste number P024|UN 2018 (DOT)|UNII-Z553SGH315 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020295 https://doi.org/10.22427/NTP-DATA-DTXSID9020295
ARPathway2016 ARPathway2016_475 4-Chloroaniline 106-47-8 DTXSID9020295 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(Cl)C=C1 4-Chloroaniline 106-47-8|4-Chloroaniline|1-Amino-4-chlorobenzene|4-Amino-1-chlorobenzene|4-Aminochlorobenzene|4-Chloranilin|4-Chloro-1-aminobenzene|4-Chlorobenzamine|4-Chlorobenzenamine|4-Chlorobenzeneamine|4-Chlorophenylamine|4-cloroanilina|ANILINE, 4-CHLORO-|Aniline, p-chloro-|Bencenamina, 4-cloro -|Benzenamine, 4-chloro-|Benzeneamine, 4-chloro|Caswell No. 182|Chloroaminobenzene, p-|Chloroaniline, p-|EINECS 203-401-0|EPA Pesticide Chemical Code 017203|NCI-C02039|NSC 36941|p-Aminochlorobenzene|p-Chloraniline|p-Chloroaniline|p-Chlorophenylamine|para-Chloroaniline|RCRA waste number P024|UN 2018 (DOT)|UNII-Z553SGH315 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020295 https://doi.org/10.22427/NTP-DATA-DTXSID9020295
ARPathway2016 ARPathway2016_475 4-Chloroaniline 106-47-8 DTXSID9020295 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC=C(Cl)C=C1 4-Chloroaniline 106-47-8|4-Chloroaniline|1-Amino-4-chlorobenzene|4-Amino-1-chlorobenzene|4-Aminochlorobenzene|4-Chloranilin|4-Chloro-1-aminobenzene|4-Chlorobenzamine|4-Chlorobenzenamine|4-Chlorobenzeneamine|4-Chlorophenylamine|4-cloroanilina|ANILINE, 4-CHLORO-|Aniline, p-chloro-|Bencenamina, 4-cloro -|Benzenamine, 4-chloro-|Benzeneamine, 4-chloro|Caswell No. 182|Chloroaminobenzene, p-|Chloroaniline, p-|EINECS 203-401-0|EPA Pesticide Chemical Code 017203|NCI-C02039|NSC 36941|p-Aminochlorobenzene|p-Chloraniline|p-Chloroaniline|p-Chlorophenylamine|para-Chloroaniline|RCRA waste number P024|UN 2018 (DOT)|UNII-Z553SGH315 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020295 https://doi.org/10.22427/NTP-DATA-DTXSID9020295
ERPathway2016 ERPathway2016_627 4-Chloroaniline 106-47-8 DTXSID9020295 A17 ER Pathway Model, Agonist Model Score 0 Unitless NC1=CC=C(Cl)C=C1 4-Chloroaniline 106-47-8|4-Chloroaniline|1-Amino-4-chlorobenzene|4-Amino-1-chlorobenzene|4-Aminochlorobenzene|4-Chloranilin|4-Chloro-1-aminobenzene|4-Chlorobenzamine|4-Chlorobenzenamine|4-Chlorobenzeneamine|4-Chlorophenylamine|4-cloroanilina|ANILINE, 4-CHLORO-|Aniline, p-chloro-|Bencenamina, 4-cloro -|Benzenamine, 4-chloro-|Benzeneamine, 4-chloro|Caswell No. 182|Chloroaminobenzene, p-|Chloroaniline, p-|EINECS 203-401-0|EPA Pesticide Chemical Code 017203|NCI-C02039|NSC 36941|p-Aminochlorobenzene|p-Chloraniline|p-Chloroaniline|p-Chlorophenylamine|para-Chloroaniline|RCRA waste number P024|UN 2018 (DOT)|UNII-Z553SGH315 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020295 https://doi.org/10.22427/NTP-DATA-DTXSID9020295
ERPathway2016 ERPathway2016_627 4-Chloroaniline 106-47-8 DTXSID9020295 A17 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(Cl)C=C1 4-Chloroaniline 106-47-8|4-Chloroaniline|1-Amino-4-chlorobenzene|4-Amino-1-chlorobenzene|4-Aminochlorobenzene|4-Chloranilin|4-Chloro-1-aminobenzene|4-Chlorobenzamine|4-Chlorobenzenamine|4-Chlorobenzeneamine|4-Chlorophenylamine|4-cloroanilina|ANILINE, 4-CHLORO-|Aniline, p-chloro-|Bencenamina, 4-cloro -|Benzenamine, 4-chloro-|Benzeneamine, 4-chloro|Caswell No. 182|Chloroaminobenzene, p-|Chloroaniline, p-|EINECS 203-401-0|EPA Pesticide Chemical Code 017203|NCI-C02039|NSC 36941|p-Aminochlorobenzene|p-Chloraniline|p-Chloroaniline|p-Chlorophenylamine|para-Chloroaniline|RCRA waste number P024|UN 2018 (DOT)|UNII-Z553SGH315 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020295 https://doi.org/10.22427/NTP-DATA-DTXSID9020295
ERPathway2016 ERPathway2016_627 4-Chloroaniline 106-47-8 DTXSID9020295 A17 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(Cl)C=C1 4-Chloroaniline 106-47-8|4-Chloroaniline|1-Amino-4-chlorobenzene|4-Amino-1-chlorobenzene|4-Aminochlorobenzene|4-Chloranilin|4-Chloro-1-aminobenzene|4-Chlorobenzamine|4-Chlorobenzenamine|4-Chlorobenzeneamine|4-Chlorophenylamine|4-cloroanilina|ANILINE, 4-CHLORO-|Aniline, p-chloro-|Bencenamina, 4-cloro -|Benzenamine, 4-chloro-|Benzeneamine, 4-chloro|Caswell No. 182|Chloroaminobenzene, p-|Chloroaniline, p-|EINECS 203-401-0|EPA Pesticide Chemical Code 017203|NCI-C02039|NSC 36941|p-Aminochlorobenzene|p-Chloraniline|p-Chloroaniline|p-Chlorophenylamine|para-Chloroaniline|RCRA waste number P024|UN 2018 (DOT)|UNII-Z553SGH315 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020295 https://doi.org/10.22427/NTP-DATA-DTXSID9020295
ERPathway2016 ERPathway2016_627 4-Chloroaniline 106-47-8 DTXSID9020295 A17 ER Pathway Model, Antagonist Call Inactive Unitless NC1=CC=C(Cl)C=C1 4-Chloroaniline 106-47-8|4-Chloroaniline|1-Amino-4-chlorobenzene|4-Amino-1-chlorobenzene|4-Aminochlorobenzene|4-Chloranilin|4-Chloro-1-aminobenzene|4-Chlorobenzamine|4-Chlorobenzenamine|4-Chlorobenzeneamine|4-Chlorophenylamine|4-cloroanilina|ANILINE, 4-CHLORO-|Aniline, p-chloro-|Bencenamina, 4-cloro -|Benzenamine, 4-chloro-|Benzeneamine, 4-chloro|Caswell No. 182|Chloroaminobenzene, p-|Chloroaniline, p-|EINECS 203-401-0|EPA Pesticide Chemical Code 017203|NCI-C02039|NSC 36941|p-Aminochlorobenzene|p-Chloraniline|p-Chloroaniline|p-Chlorophenylamine|para-Chloroaniline|RCRA waste number P024|UN 2018 (DOT)|UNII-Z553SGH315 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020295 https://doi.org/10.22427/NTP-DATA-DTXSID9020295
ARPathway2016 ARPathway2016_1271 4-Chlorobenzotrichloride 5216-25-1 DTXSID2027593 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=C(C=C1)C(Cl)(Cl)Cl 4-Chlorobenzotrichloride 5216-25-1|4-Chlorobenzotrichloride|1-Chloro-4-(trichloromethyl)benzene|4-05-00-00823|Benzene, 1-chloro-4-(trichloromethyl)-|BRN 1866549|EINECS 226-009-1|p-Chlorobenzotrichloride|p-Chlorophenyltrichloromethane|p-Trichloromethylchlorobenzene|p,alpha,alpha,alpha-Tetrachlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027593
ARPathway2016 ARPathway2016_1271 4-Chlorobenzotrichloride 5216-25-1 DTXSID2027593 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=C(C=C1)C(Cl)(Cl)Cl 4-Chlorobenzotrichloride 5216-25-1|4-Chlorobenzotrichloride|1-Chloro-4-(trichloromethyl)benzene|4-05-00-00823|Benzene, 1-chloro-4-(trichloromethyl)-|BRN 1866549|EINECS 226-009-1|p-Chlorobenzotrichloride|p-Chlorophenyltrichloromethane|p-Trichloromethylchlorobenzene|p,alpha,alpha,alpha-Tetrachlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027593
ARPathway2016 ARPathway2016_1271 4-Chlorobenzotrichloride 5216-25-1 DTXSID2027593 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC1=CC=C(C=C1)C(Cl)(Cl)Cl 4-Chlorobenzotrichloride 5216-25-1|4-Chlorobenzotrichloride|1-Chloro-4-(trichloromethyl)benzene|4-05-00-00823|Benzene, 1-chloro-4-(trichloromethyl)-|BRN 1866549|EINECS 226-009-1|p-Chlorobenzotrichloride|p-Chlorophenyltrichloromethane|p-Trichloromethylchlorobenzene|p,alpha,alpha,alpha-Tetrachlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027593
ARPathway2016 ARPathway2016_1271 4-Chlorobenzotrichloride 5216-25-1 DTXSID2027593 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=C(C=C1)C(Cl)(Cl)Cl 4-Chlorobenzotrichloride 5216-25-1|4-Chlorobenzotrichloride|1-Chloro-4-(trichloromethyl)benzene|4-05-00-00823|Benzene, 1-chloro-4-(trichloromethyl)-|BRN 1866549|EINECS 226-009-1|p-Chlorobenzotrichloride|p-Chlorophenyltrichloromethane|p-Trichloromethylchlorobenzene|p,alpha,alpha,alpha-Tetrachlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027593
ERPathway2016 ERPathway2016_880 4-Chlorobenzotrichloride 5216-25-1 DTXSID2027593 A15 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=C(C=C1)C(Cl)(Cl)Cl 4-Chlorobenzotrichloride 5216-25-1|4-Chlorobenzotrichloride|1-Chloro-4-(trichloromethyl)benzene|4-05-00-00823|Benzene, 1-chloro-4-(trichloromethyl)-|BRN 1866549|EINECS 226-009-1|p-Chlorobenzotrichloride|p-Chlorophenyltrichloromethane|p-Trichloromethylchlorobenzene|p,alpha,alpha,alpha-Tetrachlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027593
ERPathway2016 ERPathway2016_880 4-Chlorobenzotrichloride 5216-25-1 DTXSID2027593 A15 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=C(C=C1)C(Cl)(Cl)Cl 4-Chlorobenzotrichloride 5216-25-1|4-Chlorobenzotrichloride|1-Chloro-4-(trichloromethyl)benzene|4-05-00-00823|Benzene, 1-chloro-4-(trichloromethyl)-|BRN 1866549|EINECS 226-009-1|p-Chlorobenzotrichloride|p-Chlorophenyltrichloromethane|p-Trichloromethylchlorobenzene|p,alpha,alpha,alpha-Tetrachlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027593
ERPathway2016 ERPathway2016_880 4-Chlorobenzotrichloride 5216-25-1 DTXSID2027593 A15 ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC=C(C=C1)C(Cl)(Cl)Cl 4-Chlorobenzotrichloride 5216-25-1|4-Chlorobenzotrichloride|1-Chloro-4-(trichloromethyl)benzene|4-05-00-00823|Benzene, 1-chloro-4-(trichloromethyl)-|BRN 1866549|EINECS 226-009-1|p-Chlorobenzotrichloride|p-Chlorophenyltrichloromethane|p-Trichloromethylchlorobenzene|p,alpha,alpha,alpha-Tetrachlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027593
ERPathway2016 ERPathway2016_880 4-Chlorobenzotrichloride 5216-25-1 DTXSID2027593 A15 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=C(C=C1)C(Cl)(Cl)Cl 4-Chlorobenzotrichloride 5216-25-1|4-Chlorobenzotrichloride|1-Chloro-4-(trichloromethyl)benzene|4-05-00-00823|Benzene, 1-chloro-4-(trichloromethyl)-|BRN 1866549|EINECS 226-009-1|p-Chlorobenzotrichloride|p-Chlorophenyltrichloromethane|p-Trichloromethylchlorobenzene|p,alpha,alpha,alpha-Tetrachlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027593
ARPathway2016 ARPathway2016_1581 4-Chloropentylbenzene 79098-20-7 DTXSID6048206 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCC1=CC=C(Cl)C=C1 4-Chloropentylbenzene 79098-20-7|4-Chloropentylbenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048206
ARPathway2016 ARPathway2016_1581 4-Chloropentylbenzene 79098-20-7 DTXSID6048206 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCC1=CC=C(Cl)C=C1 4-Chloropentylbenzene 79098-20-7|4-Chloropentylbenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048206
ARPathway2016 ARPathway2016_1581 4-Chloropentylbenzene 79098-20-7 DTXSID6048206 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCC1=CC=C(Cl)C=C1 4-Chloropentylbenzene 79098-20-7|4-Chloropentylbenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048206
ARPathway2016 ARPathway2016_1581 4-Chloropentylbenzene 79098-20-7 DTXSID6048206 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCC1=CC=C(Cl)C=C1 4-Chloropentylbenzene 79098-20-7|4-Chloropentylbenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048206
ERPathway2016 ERPathway2016_1669 4-Chloropentylbenzene 79098-20-7 DTXSID6048206 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCC1=CC=C(Cl)C=C1 4-Chloropentylbenzene 79098-20-7|4-Chloropentylbenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048206
ERPathway2016 ERPathway2016_1669 4-Chloropentylbenzene 79098-20-7 DTXSID6048206 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCC1=CC=C(Cl)C=C1 4-Chloropentylbenzene 79098-20-7|4-Chloropentylbenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048206
ERPathway2016 ERPathway2016_1669 4-Chloropentylbenzene 79098-20-7 DTXSID6048206 ER Pathway Model, Agonist Call Inactive Unitless CCCCCC1=CC=C(Cl)C=C1 4-Chloropentylbenzene 79098-20-7|4-Chloropentylbenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048206
ERPathway2016 ERPathway2016_1669 4-Chloropentylbenzene 79098-20-7 DTXSID6048206 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCC1=CC=C(Cl)C=C1 4-Chloropentylbenzene 79098-20-7|4-Chloropentylbenzene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048206
ARPathway2016 ARPathway2016_476 4-Chlorophenol 106-48-9 DTXSID1021871 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(Cl)C=C1 4-Chlorophenol 106-48-9|4-Chlorophenol|2,4-D TP3|4-Chloro-1-hydroxybenzene|4-Chlorphenol|4-clorofenol|4-CP|4-Hydroxychlorobenzene|4-Monochlorophenol|Applied 3-78|EINECS 203-402-6|M07 p-chlorophenol|NSC 2877|p-Chlorophenic acid|p-Chlorophenol|Phenol, 4-chloro-|Phenol, p-chloro-|UNII-3DLC36A01X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021871 https://doi.org/10.22427/NTP-DATA-DTXSID1021871
ARPathway2016 ARPathway2016_476 4-Chlorophenol 106-48-9 DTXSID1021871 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=C(Cl)C=C1 4-Chlorophenol 106-48-9|4-Chlorophenol|2,4-D TP3|4-Chloro-1-hydroxybenzene|4-Chlorphenol|4-clorofenol|4-CP|4-Hydroxychlorobenzene|4-Monochlorophenol|Applied 3-78|EINECS 203-402-6|M07 p-chlorophenol|NSC 2877|p-Chlorophenic acid|p-Chlorophenol|Phenol, 4-chloro-|Phenol, p-chloro-|UNII-3DLC36A01X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021871 https://doi.org/10.22427/NTP-DATA-DTXSID1021871
ARPathway2016 ARPathway2016_476 4-Chlorophenol 106-48-9 DTXSID1021871 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(Cl)C=C1 4-Chlorophenol 106-48-9|4-Chlorophenol|2,4-D TP3|4-Chloro-1-hydroxybenzene|4-Chlorphenol|4-clorofenol|4-CP|4-Hydroxychlorobenzene|4-Monochlorophenol|Applied 3-78|EINECS 203-402-6|M07 p-chlorophenol|NSC 2877|p-Chlorophenic acid|p-Chlorophenol|Phenol, 4-chloro-|Phenol, p-chloro-|UNII-3DLC36A01X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021871 https://doi.org/10.22427/NTP-DATA-DTXSID1021871
ARPathway2016 ARPathway2016_476 4-Chlorophenol 106-48-9 DTXSID1021871 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(Cl)C=C1 4-Chlorophenol 106-48-9|4-Chlorophenol|2,4-D TP3|4-Chloro-1-hydroxybenzene|4-Chlorphenol|4-clorofenol|4-CP|4-Hydroxychlorobenzene|4-Monochlorophenol|Applied 3-78|EINECS 203-402-6|M07 p-chlorophenol|NSC 2877|p-Chlorophenic acid|p-Chlorophenol|Phenol, 4-chloro-|Phenol, p-chloro-|UNII-3DLC36A01X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021871 https://doi.org/10.22427/NTP-DATA-DTXSID1021871
ERPathway2016 ERPathway2016_309 4-Chlorophenol 106-48-9 DTXSID1021871 ER Pathway Model, Antagonist AC50 3.25944598508723 uM OC1=CC=C(Cl)C=C1 4-Chlorophenol 106-48-9|4-Chlorophenol|2,4-D TP3|4-Chloro-1-hydroxybenzene|4-Chlorphenol|4-clorofenol|4-CP|4-Hydroxychlorobenzene|4-Monochlorophenol|Applied 3-78|EINECS 203-402-6|M07 p-chlorophenol|NSC 2877|p-Chlorophenic acid|p-Chlorophenol|Phenol, 4-chloro-|Phenol, p-chloro-|UNII-3DLC36A01X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021871 https://doi.org/10.22427/NTP-DATA-DTXSID1021871
ERPathway2016 ERPathway2016_309 4-Chlorophenol 106-48-9 DTXSID1021871 ER Pathway Model, Antagonist ACC 3.36887015062917 uM OC1=CC=C(Cl)C=C1 4-Chlorophenol 106-48-9|4-Chlorophenol|2,4-D TP3|4-Chloro-1-hydroxybenzene|4-Chlorphenol|4-clorofenol|4-CP|4-Hydroxychlorobenzene|4-Monochlorophenol|Applied 3-78|EINECS 203-402-6|M07 p-chlorophenol|NSC 2877|p-Chlorophenic acid|p-Chlorophenol|Phenol, 4-chloro-|Phenol, p-chloro-|UNII-3DLC36A01X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021871 https://doi.org/10.22427/NTP-DATA-DTXSID1021871
ERPathway2016 ERPathway2016_309 4-Chlorophenol 106-48-9 DTXSID1021871 ER Pathway Model, Agonist Model Score 0.0293 Unitless OC1=CC=C(Cl)C=C1 4-Chlorophenol 106-48-9|4-Chlorophenol|2,4-D TP3|4-Chloro-1-hydroxybenzene|4-Chlorphenol|4-clorofenol|4-CP|4-Hydroxychlorobenzene|4-Monochlorophenol|Applied 3-78|EINECS 203-402-6|M07 p-chlorophenol|NSC 2877|p-Chlorophenic acid|p-Chlorophenol|Phenol, 4-chloro-|Phenol, p-chloro-|UNII-3DLC36A01X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021871 https://doi.org/10.22427/NTP-DATA-DTXSID1021871
ERPathway2016 ERPathway2016_309 4-Chlorophenol 106-48-9 DTXSID1021871 ER Pathway Model, Antagonist Model Score 0.00838 Unitless OC1=CC=C(Cl)C=C1 4-Chlorophenol 106-48-9|4-Chlorophenol|2,4-D TP3|4-Chloro-1-hydroxybenzene|4-Chlorphenol|4-clorofenol|4-CP|4-Hydroxychlorobenzene|4-Monochlorophenol|Applied 3-78|EINECS 203-402-6|M07 p-chlorophenol|NSC 2877|p-Chlorophenic acid|p-Chlorophenol|Phenol, 4-chloro-|Phenol, p-chloro-|UNII-3DLC36A01X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021871 https://doi.org/10.22427/NTP-DATA-DTXSID1021871
ERPathway2016 ERPathway2016_309 4-Chlorophenol 106-48-9 DTXSID1021871 ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(Cl)C=C1 4-Chlorophenol 106-48-9|4-Chlorophenol|2,4-D TP3|4-Chloro-1-hydroxybenzene|4-Chlorphenol|4-clorofenol|4-CP|4-Hydroxychlorobenzene|4-Monochlorophenol|Applied 3-78|EINECS 203-402-6|M07 p-chlorophenol|NSC 2877|p-Chlorophenic acid|p-Chlorophenol|Phenol, 4-chloro-|Phenol, p-chloro-|UNII-3DLC36A01X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021871 https://doi.org/10.22427/NTP-DATA-DTXSID1021871
ERPathway2016 ERPathway2016_309 4-Chlorophenol 106-48-9 DTXSID1021871 ER Pathway Model, Antagonist Call Active Unitless OC1=CC=C(Cl)C=C1 4-Chlorophenol 106-48-9|4-Chlorophenol|2,4-D TP3|4-Chloro-1-hydroxybenzene|4-Chlorphenol|4-clorofenol|4-CP|4-Hydroxychlorobenzene|4-Monochlorophenol|Applied 3-78|EINECS 203-402-6|M07 p-chlorophenol|NSC 2877|p-Chlorophenic acid|p-Chlorophenol|Phenol, 4-chloro-|Phenol, p-chloro-|UNII-3DLC36A01X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021871 https://doi.org/10.22427/NTP-DATA-DTXSID1021871
ARPathway2016 ARPathway2016_706 4-Chlorophenoxyacetic acid 122-88-3 DTXSID9034282 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)COC1=CC=C(Cl)C=C1 4-Chlorophenoxyacetic acid 122-88-3|4-Chlorophenoxyacetic acid|(4-Chlorophenoxy)acetic acid|(p-Chlorophenoxy)acetic acid|4-06-00-00845|4-Chlorophenoxyacetate|4-Chlorphenoxyessigsaeure|4-CPA|Acetic acid, (4-chlorophenoxy)-|Acetic acid, (p-chlorophenoxy)-|Acetic acid, 2-(4-chlorophenoxy)-|Acide 4-chlorophenoxyacetique|BRN 1211804|Caswell No. 204|EINECS 204-581-3|EPA Pesticide Chemical Code 019401|Kyselina 4-chlorfenoxyoctova|Marks 4-cpa|NSC 8769|NSC 9213|p-Chlorophenoxyacetic acid|para-chlorophenoxyacetic acid|Parachlorophenoxyacetic acid|Sure-Set|Tomato Fix|Tomato hold|Tomatone|Tomatotone|UNII-4EMM3U5P3K https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034282
ARPathway2016 ARPathway2016_706 4-Chlorophenoxyacetic acid 122-88-3 DTXSID9034282 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)COC1=CC=C(Cl)C=C1 4-Chlorophenoxyacetic acid 122-88-3|4-Chlorophenoxyacetic acid|(4-Chlorophenoxy)acetic acid|(p-Chlorophenoxy)acetic acid|4-06-00-00845|4-Chlorophenoxyacetate|4-Chlorphenoxyessigsaeure|4-CPA|Acetic acid, (4-chlorophenoxy)-|Acetic acid, (p-chlorophenoxy)-|Acetic acid, 2-(4-chlorophenoxy)-|Acide 4-chlorophenoxyacetique|BRN 1211804|Caswell No. 204|EINECS 204-581-3|EPA Pesticide Chemical Code 019401|Kyselina 4-chlorfenoxyoctova|Marks 4-cpa|NSC 8769|NSC 9213|p-Chlorophenoxyacetic acid|para-chlorophenoxyacetic acid|Parachlorophenoxyacetic acid|Sure-Set|Tomato Fix|Tomato hold|Tomatone|Tomatotone|UNII-4EMM3U5P3K https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034282
ARPathway2016 ARPathway2016_706 4-Chlorophenoxyacetic acid 122-88-3 DTXSID9034282 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)COC1=CC=C(Cl)C=C1 4-Chlorophenoxyacetic acid 122-88-3|4-Chlorophenoxyacetic acid|(4-Chlorophenoxy)acetic acid|(p-Chlorophenoxy)acetic acid|4-06-00-00845|4-Chlorophenoxyacetate|4-Chlorphenoxyessigsaeure|4-CPA|Acetic acid, (4-chlorophenoxy)-|Acetic acid, (p-chlorophenoxy)-|Acetic acid, 2-(4-chlorophenoxy)-|Acide 4-chlorophenoxyacetique|BRN 1211804|Caswell No. 204|EINECS 204-581-3|EPA Pesticide Chemical Code 019401|Kyselina 4-chlorfenoxyoctova|Marks 4-cpa|NSC 8769|NSC 9213|p-Chlorophenoxyacetic acid|para-chlorophenoxyacetic acid|Parachlorophenoxyacetic acid|Sure-Set|Tomato Fix|Tomato hold|Tomatone|Tomatotone|UNII-4EMM3U5P3K https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034282
ARPathway2016 ARPathway2016_706 4-Chlorophenoxyacetic acid 122-88-3 DTXSID9034282 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)COC1=CC=C(Cl)C=C1 4-Chlorophenoxyacetic acid 122-88-3|4-Chlorophenoxyacetic acid|(4-Chlorophenoxy)acetic acid|(p-Chlorophenoxy)acetic acid|4-06-00-00845|4-Chlorophenoxyacetate|4-Chlorphenoxyessigsaeure|4-CPA|Acetic acid, (4-chlorophenoxy)-|Acetic acid, (p-chlorophenoxy)-|Acetic acid, 2-(4-chlorophenoxy)-|Acide 4-chlorophenoxyacetique|BRN 1211804|Caswell No. 204|EINECS 204-581-3|EPA Pesticide Chemical Code 019401|Kyselina 4-chlorfenoxyoctova|Marks 4-cpa|NSC 8769|NSC 9213|p-Chlorophenoxyacetic acid|para-chlorophenoxyacetic acid|Parachlorophenoxyacetic acid|Sure-Set|Tomato Fix|Tomato hold|Tomatone|Tomatotone|UNII-4EMM3U5P3K https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034282
ERPathway2016 ERPathway2016_1226 4-Chlorophenoxyacetic acid 122-88-3 DTXSID9034282 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)COC1=CC=C(Cl)C=C1 4-Chlorophenoxyacetic acid 122-88-3|4-Chlorophenoxyacetic acid|(4-Chlorophenoxy)acetic acid|(p-Chlorophenoxy)acetic acid|4-06-00-00845|4-Chlorophenoxyacetate|4-Chlorphenoxyessigsaeure|4-CPA|Acetic acid, (4-chlorophenoxy)-|Acetic acid, (p-chlorophenoxy)-|Acetic acid, 2-(4-chlorophenoxy)-|Acide 4-chlorophenoxyacetique|BRN 1211804|Caswell No. 204|EINECS 204-581-3|EPA Pesticide Chemical Code 019401|Kyselina 4-chlorfenoxyoctova|Marks 4-cpa|NSC 8769|NSC 9213|p-Chlorophenoxyacetic acid|para-chlorophenoxyacetic acid|Parachlorophenoxyacetic acid|Sure-Set|Tomato Fix|Tomato hold|Tomatone|Tomatotone|UNII-4EMM3U5P3K https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034282
ERPathway2016 ERPathway2016_1226 4-Chlorophenoxyacetic acid 122-88-3 DTXSID9034282 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)COC1=CC=C(Cl)C=C1 4-Chlorophenoxyacetic acid 122-88-3|4-Chlorophenoxyacetic acid|(4-Chlorophenoxy)acetic acid|(p-Chlorophenoxy)acetic acid|4-06-00-00845|4-Chlorophenoxyacetate|4-Chlorphenoxyessigsaeure|4-CPA|Acetic acid, (4-chlorophenoxy)-|Acetic acid, (p-chlorophenoxy)-|Acetic acid, 2-(4-chlorophenoxy)-|Acide 4-chlorophenoxyacetique|BRN 1211804|Caswell No. 204|EINECS 204-581-3|EPA Pesticide Chemical Code 019401|Kyselina 4-chlorfenoxyoctova|Marks 4-cpa|NSC 8769|NSC 9213|p-Chlorophenoxyacetic acid|para-chlorophenoxyacetic acid|Parachlorophenoxyacetic acid|Sure-Set|Tomato Fix|Tomato hold|Tomatone|Tomatotone|UNII-4EMM3U5P3K https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034282
ERPathway2016 ERPathway2016_1226 4-Chlorophenoxyacetic acid 122-88-3 DTXSID9034282 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)COC1=CC=C(Cl)C=C1 4-Chlorophenoxyacetic acid 122-88-3|4-Chlorophenoxyacetic acid|(4-Chlorophenoxy)acetic acid|(p-Chlorophenoxy)acetic acid|4-06-00-00845|4-Chlorophenoxyacetate|4-Chlorphenoxyessigsaeure|4-CPA|Acetic acid, (4-chlorophenoxy)-|Acetic acid, (p-chlorophenoxy)-|Acetic acid, 2-(4-chlorophenoxy)-|Acide 4-chlorophenoxyacetique|BRN 1211804|Caswell No. 204|EINECS 204-581-3|EPA Pesticide Chemical Code 019401|Kyselina 4-chlorfenoxyoctova|Marks 4-cpa|NSC 8769|NSC 9213|p-Chlorophenoxyacetic acid|para-chlorophenoxyacetic acid|Parachlorophenoxyacetic acid|Sure-Set|Tomato Fix|Tomato hold|Tomatone|Tomatotone|UNII-4EMM3U5P3K https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034282
ERPathway2016 ERPathway2016_1226 4-Chlorophenoxyacetic acid 122-88-3 DTXSID9034282 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)COC1=CC=C(Cl)C=C1 4-Chlorophenoxyacetic acid 122-88-3|4-Chlorophenoxyacetic acid|(4-Chlorophenoxy)acetic acid|(p-Chlorophenoxy)acetic acid|4-06-00-00845|4-Chlorophenoxyacetate|4-Chlorphenoxyessigsaeure|4-CPA|Acetic acid, (4-chlorophenoxy)-|Acetic acid, (p-chlorophenoxy)-|Acetic acid, 2-(4-chlorophenoxy)-|Acide 4-chlorophenoxyacetique|BRN 1211804|Caswell No. 204|EINECS 204-581-3|EPA Pesticide Chemical Code 019401|Kyselina 4-chlorfenoxyoctova|Marks 4-cpa|NSC 8769|NSC 9213|p-Chlorophenoxyacetic acid|para-chlorophenoxyacetic acid|Parachlorophenoxyacetic acid|Sure-Set|Tomato Fix|Tomato hold|Tomatone|Tomatotone|UNII-4EMM3U5P3K https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034282
ARPathway2016 ARPathway2016_828 4-Chlorophenylurea 140-38-5 DTXSID5041512 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless NC(=O)NC1=CC=C(Cl)C=C1 4-Chlorophenylurea 140-38-5|4-Chlorophenylurea|(p-Chlorophenyl)urea|1-(p-Chlorophenyl)urea|BRN 0908492|EINECS 205-412-6|N-(4-Chlorophenyl)urea|NSC 12971|UNII-52HM99ELKB|Urea, (4-chlorophenyl)-|Urea, (p-chlorophenyl)-|Urea, N-(4-chlorophenyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041512
ARPathway2016 ARPathway2016_828 4-Chlorophenylurea 140-38-5 DTXSID5041512 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless NC(=O)NC1=CC=C(Cl)C=C1 4-Chlorophenylurea 140-38-5|4-Chlorophenylurea|(p-Chlorophenyl)urea|1-(p-Chlorophenyl)urea|BRN 0908492|EINECS 205-412-6|N-(4-Chlorophenyl)urea|NSC 12971|UNII-52HM99ELKB|Urea, (4-chlorophenyl)-|Urea, (p-chlorophenyl)-|Urea, N-(4-chlorophenyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041512
ARPathway2016 ARPathway2016_828 4-Chlorophenylurea 140-38-5 DTXSID5041512 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless NC(=O)NC1=CC=C(Cl)C=C1 4-Chlorophenylurea 140-38-5|4-Chlorophenylurea|(p-Chlorophenyl)urea|1-(p-Chlorophenyl)urea|BRN 0908492|EINECS 205-412-6|N-(4-Chlorophenyl)urea|NSC 12971|UNII-52HM99ELKB|Urea, (4-chlorophenyl)-|Urea, (p-chlorophenyl)-|Urea, N-(4-chlorophenyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041512
ARPathway2016 ARPathway2016_828 4-Chlorophenylurea 140-38-5 DTXSID5041512 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless NC(=O)NC1=CC=C(Cl)C=C1 4-Chlorophenylurea 140-38-5|4-Chlorophenylurea|(p-Chlorophenyl)urea|1-(p-Chlorophenyl)urea|BRN 0908492|EINECS 205-412-6|N-(4-Chlorophenyl)urea|NSC 12971|UNII-52HM99ELKB|Urea, (4-chlorophenyl)-|Urea, (p-chlorophenyl)-|Urea, N-(4-chlorophenyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041512
ERPathway2016 ERPathway2016_1297 4-Chlorophenylurea 140-38-5 DTXSID5041512 ER Pathway Model, Agonist Model Score 0 Unitless NC(=O)NC1=CC=C(Cl)C=C1 4-Chlorophenylurea 140-38-5|4-Chlorophenylurea|(p-Chlorophenyl)urea|1-(p-Chlorophenyl)urea|BRN 0908492|EINECS 205-412-6|N-(4-Chlorophenyl)urea|NSC 12971|UNII-52HM99ELKB|Urea, (4-chlorophenyl)-|Urea, (p-chlorophenyl)-|Urea, N-(4-chlorophenyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041512
ERPathway2016 ERPathway2016_1297 4-Chlorophenylurea 140-38-5 DTXSID5041512 ER Pathway Model, Antagonist Model Score 0 Unitless NC(=O)NC1=CC=C(Cl)C=C1 4-Chlorophenylurea 140-38-5|4-Chlorophenylurea|(p-Chlorophenyl)urea|1-(p-Chlorophenyl)urea|BRN 0908492|EINECS 205-412-6|N-(4-Chlorophenyl)urea|NSC 12971|UNII-52HM99ELKB|Urea, (4-chlorophenyl)-|Urea, (p-chlorophenyl)-|Urea, N-(4-chlorophenyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041512
ERPathway2016 ERPathway2016_1297 4-Chlorophenylurea 140-38-5 DTXSID5041512 ER Pathway Model, Agonist Call Inactive Unitless NC(=O)NC1=CC=C(Cl)C=C1 4-Chlorophenylurea 140-38-5|4-Chlorophenylurea|(p-Chlorophenyl)urea|1-(p-Chlorophenyl)urea|BRN 0908492|EINECS 205-412-6|N-(4-Chlorophenyl)urea|NSC 12971|UNII-52HM99ELKB|Urea, (4-chlorophenyl)-|Urea, (p-chlorophenyl)-|Urea, N-(4-chlorophenyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041512
ERPathway2016 ERPathway2016_1297 4-Chlorophenylurea 140-38-5 DTXSID5041512 ER Pathway Model, Antagonist Call Inactive Unitless NC(=O)NC1=CC=C(Cl)C=C1 4-Chlorophenylurea 140-38-5|4-Chlorophenylurea|(p-Chlorophenyl)urea|1-(p-Chlorophenyl)urea|BRN 0908492|EINECS 205-412-6|N-(4-Chlorophenyl)urea|NSC 12971|UNII-52HM99ELKB|Urea, (4-chlorophenyl)-|Urea, (p-chlorophenyl)-|Urea, N-(4-chlorophenyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041512
ARPathway2016 ARPathway2016_471 4-Chlorotoluene 106-43-4 DTXSID8024814 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(Cl)C=C1 4-Chlorotoluene 106-43-4|4-Chlorotoluene|1-Chloro-4-methylbenzene|1-Methyl-4-chlorobenzene|4-Chloro-1-methylbenzene|4-Chlortoluol|4-clorotolueno|4-Methylchlorobenzene|4-Methylphenyl chloride|4-Tolyl chloride|Benzene, 1-chloro-4-methyl-|EINECS 203-397-0|NSC 404114|p-Chloromethylbenzene|p-Chlorotoluene|p-Methylchlorobenzene|p-Tolyl chloride|para-Chlorotoluene|TOLUENE, 4-CHLORO-|Toluene, p-chloro-|UNII-Q8R236H42N https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024814 https://doi.org/10.22427/NTP-DATA-DTXSID8024814
ARPathway2016 ARPathway2016_471 4-Chlorotoluene 106-43-4 DTXSID8024814 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(Cl)C=C1 4-Chlorotoluene 106-43-4|4-Chlorotoluene|1-Chloro-4-methylbenzene|1-Methyl-4-chlorobenzene|4-Chloro-1-methylbenzene|4-Chlortoluol|4-clorotolueno|4-Methylchlorobenzene|4-Methylphenyl chloride|4-Tolyl chloride|Benzene, 1-chloro-4-methyl-|EINECS 203-397-0|NSC 404114|p-Chloromethylbenzene|p-Chlorotoluene|p-Methylchlorobenzene|p-Tolyl chloride|para-Chlorotoluene|TOLUENE, 4-CHLORO-|Toluene, p-chloro-|UNII-Q8R236H42N https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024814 https://doi.org/10.22427/NTP-DATA-DTXSID8024814
ARPathway2016 ARPathway2016_471 4-Chlorotoluene 106-43-4 DTXSID8024814 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(Cl)C=C1 4-Chlorotoluene 106-43-4|4-Chlorotoluene|1-Chloro-4-methylbenzene|1-Methyl-4-chlorobenzene|4-Chloro-1-methylbenzene|4-Chlortoluol|4-clorotolueno|4-Methylchlorobenzene|4-Methylphenyl chloride|4-Tolyl chloride|Benzene, 1-chloro-4-methyl-|EINECS 203-397-0|NSC 404114|p-Chloromethylbenzene|p-Chlorotoluene|p-Methylchlorobenzene|p-Tolyl chloride|para-Chlorotoluene|TOLUENE, 4-CHLORO-|Toluene, p-chloro-|UNII-Q8R236H42N https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024814 https://doi.org/10.22427/NTP-DATA-DTXSID8024814
ARPathway2016 ARPathway2016_471 4-Chlorotoluene 106-43-4 DTXSID8024814 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(Cl)C=C1 4-Chlorotoluene 106-43-4|4-Chlorotoluene|1-Chloro-4-methylbenzene|1-Methyl-4-chlorobenzene|4-Chloro-1-methylbenzene|4-Chlortoluol|4-clorotolueno|4-Methylchlorobenzene|4-Methylphenyl chloride|4-Tolyl chloride|Benzene, 1-chloro-4-methyl-|EINECS 203-397-0|NSC 404114|p-Chloromethylbenzene|p-Chlorotoluene|p-Methylchlorobenzene|p-Tolyl chloride|para-Chlorotoluene|TOLUENE, 4-CHLORO-|Toluene, p-chloro-|UNII-Q8R236H42N https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024814 https://doi.org/10.22427/NTP-DATA-DTXSID8024814
ERPathway2016 ERPathway2016_732 4-Chlorotoluene 106-43-4 DTXSID8024814 A13 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(Cl)C=C1 4-Chlorotoluene 106-43-4|4-Chlorotoluene|1-Chloro-4-methylbenzene|1-Methyl-4-chlorobenzene|4-Chloro-1-methylbenzene|4-Chlortoluol|4-clorotolueno|4-Methylchlorobenzene|4-Methylphenyl chloride|4-Tolyl chloride|Benzene, 1-chloro-4-methyl-|EINECS 203-397-0|NSC 404114|p-Chloromethylbenzene|p-Chlorotoluene|p-Methylchlorobenzene|p-Tolyl chloride|para-Chlorotoluene|TOLUENE, 4-CHLORO-|Toluene, p-chloro-|UNII-Q8R236H42N https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024814 https://doi.org/10.22427/NTP-DATA-DTXSID8024814
ERPathway2016 ERPathway2016_732 4-Chlorotoluene 106-43-4 DTXSID8024814 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(Cl)C=C1 4-Chlorotoluene 106-43-4|4-Chlorotoluene|1-Chloro-4-methylbenzene|1-Methyl-4-chlorobenzene|4-Chloro-1-methylbenzene|4-Chlortoluol|4-clorotolueno|4-Methylchlorobenzene|4-Methylphenyl chloride|4-Tolyl chloride|Benzene, 1-chloro-4-methyl-|EINECS 203-397-0|NSC 404114|p-Chloromethylbenzene|p-Chlorotoluene|p-Methylchlorobenzene|p-Tolyl chloride|para-Chlorotoluene|TOLUENE, 4-CHLORO-|Toluene, p-chloro-|UNII-Q8R236H42N https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024814 https://doi.org/10.22427/NTP-DATA-DTXSID8024814
ERPathway2016 ERPathway2016_732 4-Chlorotoluene 106-43-4 DTXSID8024814 A13 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(Cl)C=C1 4-Chlorotoluene 106-43-4|4-Chlorotoluene|1-Chloro-4-methylbenzene|1-Methyl-4-chlorobenzene|4-Chloro-1-methylbenzene|4-Chlortoluol|4-clorotolueno|4-Methylchlorobenzene|4-Methylphenyl chloride|4-Tolyl chloride|Benzene, 1-chloro-4-methyl-|EINECS 203-397-0|NSC 404114|p-Chloromethylbenzene|p-Chlorotoluene|p-Methylchlorobenzene|p-Tolyl chloride|para-Chlorotoluene|TOLUENE, 4-CHLORO-|Toluene, p-chloro-|UNII-Q8R236H42N https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024814 https://doi.org/10.22427/NTP-DATA-DTXSID8024814
ERPathway2016 ERPathway2016_732 4-Chlorotoluene 106-43-4 DTXSID8024814 A13 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(Cl)C=C1 4-Chlorotoluene 106-43-4|4-Chlorotoluene|1-Chloro-4-methylbenzene|1-Methyl-4-chlorobenzene|4-Chloro-1-methylbenzene|4-Chlortoluol|4-clorotolueno|4-Methylchlorobenzene|4-Methylphenyl chloride|4-Tolyl chloride|Benzene, 1-chloro-4-methyl-|EINECS 203-397-0|NSC 404114|p-Chloromethylbenzene|p-Chlorotoluene|p-Methylchlorobenzene|p-Tolyl chloride|para-Chlorotoluene|TOLUENE, 4-CHLORO-|Toluene, p-chloro-|UNII-Q8R236H42N https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024814 https://doi.org/10.22427/NTP-DATA-DTXSID8024814
ARPathway2016 ARPathway2016_228 4-Cumylphenol 599-64-4 DTXSID3022536 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 27.70374508 uM CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1 4-Cumylphenol 599-64-4|4-Cumylphenol|2-Phenyl-2-(4-hydroxyphenyl)propane|2-Phenyl-2-(p-hydroxyphenyl)propane|4-(1-Methyl-1-phenethyl)phenol|4-(1-Methyl-1-phenylethyl)phenol|4-(2-Phenylpropan-2-yl)phenol|4-(Dimethylphenylmethyl)phenol|4-Hydroxydiphenyldimethylmethane|BRN 1870517|EINECS 209-968-0|NSC 6237|p-(alpha-Cumenyl)phenol|p-(alpha,alpha-Dimethylbenzyl)phenol|p-Cumyl phenol|p-Cumylphenol|Phenol, 4-(1-methyl-1-phenylethyl)-|UNII-2RLA3OL3QT|28261-59-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022536
ARPathway2016 ARPathway2016_228 4-Cumylphenol 599-64-4 DTXSID3022536 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 23.17624491 uM CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1 4-Cumylphenol 599-64-4|4-Cumylphenol|2-Phenyl-2-(4-hydroxyphenyl)propane|2-Phenyl-2-(p-hydroxyphenyl)propane|4-(1-Methyl-1-phenethyl)phenol|4-(1-Methyl-1-phenylethyl)phenol|4-(2-Phenylpropan-2-yl)phenol|4-(Dimethylphenylmethyl)phenol|4-Hydroxydiphenyldimethylmethane|BRN 1870517|EINECS 209-968-0|NSC 6237|p-(alpha-Cumenyl)phenol|p-(alpha,alpha-Dimethylbenzyl)phenol|p-Cumyl phenol|p-Cumylphenol|Phenol, 4-(1-methyl-1-phenylethyl)-|UNII-2RLA3OL3QT|28261-59-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022536
ARPathway2016 ARPathway2016_228 4-Cumylphenol 599-64-4 DTXSID3022536 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.315 Unitless CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1 4-Cumylphenol 599-64-4|4-Cumylphenol|2-Phenyl-2-(4-hydroxyphenyl)propane|2-Phenyl-2-(p-hydroxyphenyl)propane|4-(1-Methyl-1-phenethyl)phenol|4-(1-Methyl-1-phenylethyl)phenol|4-(2-Phenylpropan-2-yl)phenol|4-(Dimethylphenylmethyl)phenol|4-Hydroxydiphenyldimethylmethane|BRN 1870517|EINECS 209-968-0|NSC 6237|p-(alpha-Cumenyl)phenol|p-(alpha,alpha-Dimethylbenzyl)phenol|p-Cumyl phenol|p-Cumylphenol|Phenol, 4-(1-methyl-1-phenylethyl)-|UNII-2RLA3OL3QT|28261-59-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022536
ARPathway2016 ARPathway2016_228 4-Cumylphenol 599-64-4 DTXSID3022536 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1 4-Cumylphenol 599-64-4|4-Cumylphenol|2-Phenyl-2-(4-hydroxyphenyl)propane|2-Phenyl-2-(p-hydroxyphenyl)propane|4-(1-Methyl-1-phenethyl)phenol|4-(1-Methyl-1-phenylethyl)phenol|4-(2-Phenylpropan-2-yl)phenol|4-(Dimethylphenylmethyl)phenol|4-Hydroxydiphenyldimethylmethane|BRN 1870517|EINECS 209-968-0|NSC 6237|p-(alpha-Cumenyl)phenol|p-(alpha,alpha-Dimethylbenzyl)phenol|p-Cumyl phenol|p-Cumylphenol|Phenol, 4-(1-methyl-1-phenylethyl)-|UNII-2RLA3OL3QT|28261-59-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022536
ARPathway2016 ARPathway2016_228 4-Cumylphenol 599-64-4 DTXSID3022536 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1 4-Cumylphenol 599-64-4|4-Cumylphenol|2-Phenyl-2-(4-hydroxyphenyl)propane|2-Phenyl-2-(p-hydroxyphenyl)propane|4-(1-Methyl-1-phenethyl)phenol|4-(1-Methyl-1-phenylethyl)phenol|4-(2-Phenylpropan-2-yl)phenol|4-(Dimethylphenylmethyl)phenol|4-Hydroxydiphenyldimethylmethane|BRN 1870517|EINECS 209-968-0|NSC 6237|p-(alpha-Cumenyl)phenol|p-(alpha,alpha-Dimethylbenzyl)phenol|p-Cumyl phenol|p-Cumylphenol|Phenol, 4-(1-methyl-1-phenylethyl)-|UNII-2RLA3OL3QT|28261-59-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022536
ARPathway2016 ARPathway2016_228 4-Cumylphenol 599-64-4 DTXSID3022536 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1 4-Cumylphenol 599-64-4|4-Cumylphenol|2-Phenyl-2-(4-hydroxyphenyl)propane|2-Phenyl-2-(p-hydroxyphenyl)propane|4-(1-Methyl-1-phenethyl)phenol|4-(1-Methyl-1-phenylethyl)phenol|4-(2-Phenylpropan-2-yl)phenol|4-(Dimethylphenylmethyl)phenol|4-Hydroxydiphenyldimethylmethane|BRN 1870517|EINECS 209-968-0|NSC 6237|p-(alpha-Cumenyl)phenol|p-(alpha,alpha-Dimethylbenzyl)phenol|p-Cumyl phenol|p-Cumylphenol|Phenol, 4-(1-methyl-1-phenylethyl)-|UNII-2RLA3OL3QT|28261-59-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022536
ERPathway2016 ERPathway2016_174 4-Cumylphenol 599-64-4 DTXSID3022536 Agonist ER Pathway Model, Antagonist AC50 2.25437778243156 uM CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1 4-Cumylphenol 599-64-4|4-Cumylphenol|2-Phenyl-2-(4-hydroxyphenyl)propane|2-Phenyl-2-(p-hydroxyphenyl)propane|4-(1-Methyl-1-phenethyl)phenol|4-(1-Methyl-1-phenylethyl)phenol|4-(2-Phenylpropan-2-yl)phenol|4-(Dimethylphenylmethyl)phenol|4-Hydroxydiphenyldimethylmethane|BRN 1870517|EINECS 209-968-0|NSC 6237|p-(alpha-Cumenyl)phenol|p-(alpha,alpha-Dimethylbenzyl)phenol|p-Cumyl phenol|p-Cumylphenol|Phenol, 4-(1-methyl-1-phenylethyl)-|UNII-2RLA3OL3QT|28261-59-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022536
ERPathway2016 ERPathway2016_174 4-Cumylphenol 599-64-4 DTXSID3022536 Agonist ER Pathway Model, Antagonist ACC 0.701593343911328 uM CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1 4-Cumylphenol 599-64-4|4-Cumylphenol|2-Phenyl-2-(4-hydroxyphenyl)propane|2-Phenyl-2-(p-hydroxyphenyl)propane|4-(1-Methyl-1-phenethyl)phenol|4-(1-Methyl-1-phenylethyl)phenol|4-(2-Phenylpropan-2-yl)phenol|4-(Dimethylphenylmethyl)phenol|4-Hydroxydiphenyldimethylmethane|BRN 1870517|EINECS 209-968-0|NSC 6237|p-(alpha-Cumenyl)phenol|p-(alpha,alpha-Dimethylbenzyl)phenol|p-Cumyl phenol|p-Cumylphenol|Phenol, 4-(1-methyl-1-phenylethyl)-|UNII-2RLA3OL3QT|28261-59-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022536
ERPathway2016 ERPathway2016_174 4-Cumylphenol 599-64-4 DTXSID3022536 Agonist ER Pathway Model, Agonist Model Score 0.376 Unitless CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1 4-Cumylphenol 599-64-4|4-Cumylphenol|2-Phenyl-2-(4-hydroxyphenyl)propane|2-Phenyl-2-(p-hydroxyphenyl)propane|4-(1-Methyl-1-phenethyl)phenol|4-(1-Methyl-1-phenylethyl)phenol|4-(2-Phenylpropan-2-yl)phenol|4-(Dimethylphenylmethyl)phenol|4-Hydroxydiphenyldimethylmethane|BRN 1870517|EINECS 209-968-0|NSC 6237|p-(alpha-Cumenyl)phenol|p-(alpha,alpha-Dimethylbenzyl)phenol|p-Cumyl phenol|p-Cumylphenol|Phenol, 4-(1-methyl-1-phenylethyl)-|UNII-2RLA3OL3QT|28261-59-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022536
ERPathway2016 ERPathway2016_174 4-Cumylphenol 599-64-4 DTXSID3022536 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1 4-Cumylphenol 599-64-4|4-Cumylphenol|2-Phenyl-2-(4-hydroxyphenyl)propane|2-Phenyl-2-(p-hydroxyphenyl)propane|4-(1-Methyl-1-phenethyl)phenol|4-(1-Methyl-1-phenylethyl)phenol|4-(2-Phenylpropan-2-yl)phenol|4-(Dimethylphenylmethyl)phenol|4-Hydroxydiphenyldimethylmethane|BRN 1870517|EINECS 209-968-0|NSC 6237|p-(alpha-Cumenyl)phenol|p-(alpha,alpha-Dimethylbenzyl)phenol|p-Cumyl phenol|p-Cumylphenol|Phenol, 4-(1-methyl-1-phenylethyl)-|UNII-2RLA3OL3QT|28261-59-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022536
ERPathway2016 ERPathway2016_174 4-Cumylphenol 599-64-4 DTXSID3022536 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1 4-Cumylphenol 599-64-4|4-Cumylphenol|2-Phenyl-2-(4-hydroxyphenyl)propane|2-Phenyl-2-(p-hydroxyphenyl)propane|4-(1-Methyl-1-phenethyl)phenol|4-(1-Methyl-1-phenylethyl)phenol|4-(2-Phenylpropan-2-yl)phenol|4-(Dimethylphenylmethyl)phenol|4-Hydroxydiphenyldimethylmethane|BRN 1870517|EINECS 209-968-0|NSC 6237|p-(alpha-Cumenyl)phenol|p-(alpha,alpha-Dimethylbenzyl)phenol|p-Cumyl phenol|p-Cumylphenol|Phenol, 4-(1-methyl-1-phenylethyl)-|UNII-2RLA3OL3QT|28261-59-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022536
ERPathway2016 ERPathway2016_174 4-Cumylphenol 599-64-4 DTXSID3022536 Agonist ER Pathway Model, Antagonist Call Active Unitless CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1 4-Cumylphenol 599-64-4|4-Cumylphenol|2-Phenyl-2-(4-hydroxyphenyl)propane|2-Phenyl-2-(p-hydroxyphenyl)propane|4-(1-Methyl-1-phenethyl)phenol|4-(1-Methyl-1-phenylethyl)phenol|4-(2-Phenylpropan-2-yl)phenol|4-(Dimethylphenylmethyl)phenol|4-Hydroxydiphenyldimethylmethane|BRN 1870517|EINECS 209-968-0|NSC 6237|p-(alpha-Cumenyl)phenol|p-(alpha,alpha-Dimethylbenzyl)phenol|p-Cumyl phenol|p-Cumylphenol|Phenol, 4-(1-methyl-1-phenylethyl)-|UNII-2RLA3OL3QT|28261-59-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022536
ARPathway2016 ARPathway2016_357 4-Cyclohexylcyclohexanol 2433-14-9 DTXSID3040722 1.0 A1 AR Pathway Model, Antagonist ACC 3.367305773 uM OC1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanol 2433-14-9|4-Cyclohexylcyclohexanol|EINECS 219-418-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040722
ARPathway2016 ARPathway2016_357 4-Cyclohexylcyclohexanol 2433-14-9 DTXSID3040722 1.0 A1 AR Pathway Model, Antagonist AC50 2.34388030495291 uM OC1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanol 2433-14-9|4-Cyclohexylcyclohexanol|EINECS 219-418-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040722
ARPathway2016 ARPathway2016_357 4-Cyclohexylcyclohexanol 2433-14-9 DTXSID3040722 1.0 A1 AR Pathway Model, Antagonist Model Score 0 Unitless OC1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanol 2433-14-9|4-Cyclohexylcyclohexanol|EINECS 219-418-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040722
ARPathway2016 ARPathway2016_357 4-Cyclohexylcyclohexanol 2433-14-9 DTXSID3040722 1.0 A1 AR Pathway Model, Agonist Model Score 0.0494 Unitless OC1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanol 2433-14-9|4-Cyclohexylcyclohexanol|EINECS 219-418-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040722
ARPathway2016 ARPathway2016_357 4-Cyclohexylcyclohexanol 2433-14-9 DTXSID3040722 1.0 A1 AR Pathway Model, Agonist Call Inactive Unitless OC1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanol 2433-14-9|4-Cyclohexylcyclohexanol|EINECS 219-418-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040722
ARPathway2016 ARPathway2016_357 4-Cyclohexylcyclohexanol 2433-14-9 DTXSID3040722 1.0 A1 AR Pathway Model, Antagonist Call Active Unitless OC1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanol 2433-14-9|4-Cyclohexylcyclohexanol|EINECS 219-418-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040722
ERPathway2016 ERPathway2016_323 4-Cyclohexylcyclohexanol 2433-14-9 DTXSID3040722 ER Pathway Model, Antagonist AC50 37.6166827700814 uM OC1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanol 2433-14-9|4-Cyclohexylcyclohexanol|EINECS 219-418-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040722
ERPathway2016 ERPathway2016_323 4-Cyclohexylcyclohexanol 2433-14-9 DTXSID3040722 ER Pathway Model, Antagonist ACC 26.431350284193 uM OC1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanol 2433-14-9|4-Cyclohexylcyclohexanol|EINECS 219-418-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040722
ERPathway2016 ERPathway2016_323 4-Cyclohexylcyclohexanol 2433-14-9 DTXSID3040722 ER Pathway Model, Agonist Model Score 0.0253 Unitless OC1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanol 2433-14-9|4-Cyclohexylcyclohexanol|EINECS 219-418-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040722
ERPathway2016 ERPathway2016_323 4-Cyclohexylcyclohexanol 2433-14-9 DTXSID3040722 ER Pathway Model, Antagonist Model Score 0 Unitless OC1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanol 2433-14-9|4-Cyclohexylcyclohexanol|EINECS 219-418-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040722
ERPathway2016 ERPathway2016_323 4-Cyclohexylcyclohexanol 2433-14-9 DTXSID3040722 ER Pathway Model, Agonist Call Inactive Unitless OC1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanol 2433-14-9|4-Cyclohexylcyclohexanol|EINECS 219-418-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040722
ERPathway2016 ERPathway2016_323 4-Cyclohexylcyclohexanol 2433-14-9 DTXSID3040722 ER Pathway Model, Antagonist Call Active Unitless OC1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanol 2433-14-9|4-Cyclohexylcyclohexanol|EINECS 219-418-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040722
ARPathway2016 ARPathway2016_1718 4-Cyclohexylcyclohexanone 92-68-2 DTXSID8040721 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanone 92-68-2|4-Cyclohexylcyclohexanone|[1,1'-Bicyclohexyl]-4-one|Cyclohexanone, 4-cyclohexyl-|EINECS 202-178-7|NSC 22250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040721
ARPathway2016 ARPathway2016_1718 4-Cyclohexylcyclohexanone 92-68-2 DTXSID8040721 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanone 92-68-2|4-Cyclohexylcyclohexanone|[1,1'-Bicyclohexyl]-4-one|Cyclohexanone, 4-cyclohexyl-|EINECS 202-178-7|NSC 22250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040721
ARPathway2016 ARPathway2016_1718 4-Cyclohexylcyclohexanone 92-68-2 DTXSID8040721 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanone 92-68-2|4-Cyclohexylcyclohexanone|[1,1'-Bicyclohexyl]-4-one|Cyclohexanone, 4-cyclohexyl-|EINECS 202-178-7|NSC 22250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040721
ARPathway2016 ARPathway2016_1718 4-Cyclohexylcyclohexanone 92-68-2 DTXSID8040721 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanone 92-68-2|4-Cyclohexylcyclohexanone|[1,1'-Bicyclohexyl]-4-one|Cyclohexanone, 4-cyclohexyl-|EINECS 202-178-7|NSC 22250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040721
ERPathway2016 ERPathway2016_278 4-Cyclohexylcyclohexanone 92-68-2 DTXSID8040721 ER Pathway Model, Antagonist AC50 17.7814808209597 uM O=C1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanone 92-68-2|4-Cyclohexylcyclohexanone|[1,1'-Bicyclohexyl]-4-one|Cyclohexanone, 4-cyclohexyl-|EINECS 202-178-7|NSC 22250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040721
ERPathway2016 ERPathway2016_278 4-Cyclohexylcyclohexanone 92-68-2 DTXSID8040721 ER Pathway Model, Antagonist ACC 13.6065289973433 uM O=C1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanone 92-68-2|4-Cyclohexylcyclohexanone|[1,1'-Bicyclohexyl]-4-one|Cyclohexanone, 4-cyclohexyl-|EINECS 202-178-7|NSC 22250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040721
ERPathway2016 ERPathway2016_278 4-Cyclohexylcyclohexanone 92-68-2 DTXSID8040721 ER Pathway Model, Agonist Model Score 0.0491 Unitless O=C1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanone 92-68-2|4-Cyclohexylcyclohexanone|[1,1'-Bicyclohexyl]-4-one|Cyclohexanone, 4-cyclohexyl-|EINECS 202-178-7|NSC 22250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040721
ERPathway2016 ERPathway2016_278 4-Cyclohexylcyclohexanone 92-68-2 DTXSID8040721 ER Pathway Model, Antagonist Model Score 0 Unitless O=C1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanone 92-68-2|4-Cyclohexylcyclohexanone|[1,1'-Bicyclohexyl]-4-one|Cyclohexanone, 4-cyclohexyl-|EINECS 202-178-7|NSC 22250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040721
ERPathway2016 ERPathway2016_278 4-Cyclohexylcyclohexanone 92-68-2 DTXSID8040721 ER Pathway Model, Agonist Call Inactive Unitless O=C1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanone 92-68-2|4-Cyclohexylcyclohexanone|[1,1'-Bicyclohexyl]-4-one|Cyclohexanone, 4-cyclohexyl-|EINECS 202-178-7|NSC 22250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040721
ERPathway2016 ERPathway2016_278 4-Cyclohexylcyclohexanone 92-68-2 DTXSID8040721 ER Pathway Model, Antagonist Call Active Unitless O=C1CCC(CC1)C1CCCCC1 4-Cyclohexylcyclohexanone 92-68-2|4-Cyclohexylcyclohexanone|[1,1'-Bicyclohexyl]-4-one|Cyclohexanone, 4-cyclohexyl-|EINECS 202-178-7|NSC 22250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040721
ARPathway2016 ARPathway2016_891 4-Dodecylmorpholine 1541-81-7 DTXSID4042171 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCN1CCOCC1 4-Dodecylmorpholine 1541-81-7|4-Dodecylmorpholine|EINECS 216-278-3|Morpholine, 4-dodecyl-|N-Dodecylmorpholine|N-Laurylmorpholine|UNII-WRS8493T84 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042171
ARPathway2016 ARPathway2016_891 4-Dodecylmorpholine 1541-81-7 DTXSID4042171 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCN1CCOCC1 4-Dodecylmorpholine 1541-81-7|4-Dodecylmorpholine|EINECS 216-278-3|Morpholine, 4-dodecyl-|N-Dodecylmorpholine|N-Laurylmorpholine|UNII-WRS8493T84 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042171
ARPathway2016 ARPathway2016_891 4-Dodecylmorpholine 1541-81-7 DTXSID4042171 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCN1CCOCC1 4-Dodecylmorpholine 1541-81-7|4-Dodecylmorpholine|EINECS 216-278-3|Morpholine, 4-dodecyl-|N-Dodecylmorpholine|N-Laurylmorpholine|UNII-WRS8493T84 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042171
ARPathway2016 ARPathway2016_891 4-Dodecylmorpholine 1541-81-7 DTXSID4042171 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCN1CCOCC1 4-Dodecylmorpholine 1541-81-7|4-Dodecylmorpholine|EINECS 216-278-3|Morpholine, 4-dodecyl-|N-Dodecylmorpholine|N-Laurylmorpholine|UNII-WRS8493T84 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042171
ERPathway2016 ERPathway2016_1325 4-Dodecylmorpholine 1541-81-7 DTXSID4042171 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCN1CCOCC1 4-Dodecylmorpholine 1541-81-7|4-Dodecylmorpholine|EINECS 216-278-3|Morpholine, 4-dodecyl-|N-Dodecylmorpholine|N-Laurylmorpholine|UNII-WRS8493T84 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042171
ERPathway2016 ERPathway2016_1325 4-Dodecylmorpholine 1541-81-7 DTXSID4042171 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCN1CCOCC1 4-Dodecylmorpholine 1541-81-7|4-Dodecylmorpholine|EINECS 216-278-3|Morpholine, 4-dodecyl-|N-Dodecylmorpholine|N-Laurylmorpholine|UNII-WRS8493T84 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042171
ERPathway2016 ERPathway2016_1325 4-Dodecylmorpholine 1541-81-7 DTXSID4042171 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCN1CCOCC1 4-Dodecylmorpholine 1541-81-7|4-Dodecylmorpholine|EINECS 216-278-3|Morpholine, 4-dodecyl-|N-Dodecylmorpholine|N-Laurylmorpholine|UNII-WRS8493T84 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042171
ERPathway2016 ERPathway2016_1325 4-Dodecylmorpholine 1541-81-7 DTXSID4042171 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCN1CCOCC1 4-Dodecylmorpholine 1541-81-7|4-Dodecylmorpholine|EINECS 216-278-3|Morpholine, 4-dodecyl-|N-Dodecylmorpholine|N-Laurylmorpholine|UNII-WRS8493T84 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042171
ARPathway2016 ARPathway2016_8 4-Dodecylphenol 104-43-8 DTXSID1022508 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 26.2038352058919 uM CCCCCCCCCCCCC1=CC=C(O)C=C1 4-Dodecylphenol 104-43-8|4-Dodecylphenol|EINECS 203-202-9|p-dodecilfenol|p-Dodecylphenol|p-n-Dodecylphenol|Phenol, 4- dodecyl-|Phenol, p-dodecyl-|UNII-EZF5Y6P2G8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022508
ARPathway2016 ARPathway2016_8 4-Dodecylphenol 104-43-8 DTXSID1022508 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 27.7440811135632 uM CCCCCCCCCCCCC1=CC=C(O)C=C1 4-Dodecylphenol 104-43-8|4-Dodecylphenol|EINECS 203-202-9|p-dodecilfenol|p-Dodecylphenol|p-n-Dodecylphenol|Phenol, 4- dodecyl-|Phenol, p-dodecyl-|UNII-EZF5Y6P2G8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022508
ARPathway2016 ARPathway2016_8 4-Dodecylphenol 104-43-8 DTXSID1022508 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.196 Unitless CCCCCCCCCCCCC1=CC=C(O)C=C1 4-Dodecylphenol 104-43-8|4-Dodecylphenol|EINECS 203-202-9|p-dodecilfenol|p-Dodecylphenol|p-n-Dodecylphenol|Phenol, 4- dodecyl-|Phenol, p-dodecyl-|UNII-EZF5Y6P2G8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022508
ARPathway2016 ARPathway2016_8 4-Dodecylphenol 104-43-8 DTXSID1022508 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCC1=CC=C(O)C=C1 4-Dodecylphenol 104-43-8|4-Dodecylphenol|EINECS 203-202-9|p-dodecilfenol|p-Dodecylphenol|p-n-Dodecylphenol|Phenol, 4- dodecyl-|Phenol, p-dodecyl-|UNII-EZF5Y6P2G8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022508
ARPathway2016 ARPathway2016_8 4-Dodecylphenol 104-43-8 DTXSID1022508 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCCCCCCCCCC1=CC=C(O)C=C1 4-Dodecylphenol 104-43-8|4-Dodecylphenol|EINECS 203-202-9|p-dodecilfenol|p-Dodecylphenol|p-n-Dodecylphenol|Phenol, 4- dodecyl-|Phenol, p-dodecyl-|UNII-EZF5Y6P2G8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022508
ARPathway2016 ARPathway2016_8 4-Dodecylphenol 104-43-8 DTXSID1022508 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCC1=CC=C(O)C=C1 4-Dodecylphenol 104-43-8|4-Dodecylphenol|EINECS 203-202-9|p-dodecilfenol|p-Dodecylphenol|p-n-Dodecylphenol|Phenol, 4- dodecyl-|Phenol, p-dodecyl-|UNII-EZF5Y6P2G8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022508
ERPathway2016 ERPathway2016_165 4-Dodecylphenol 104-43-8 DTXSID1022508 Agonist ER Pathway Model, Antagonist AC50 1.13970349446916 uM CCCCCCCCCCCCC1=CC=C(O)C=C1 4-Dodecylphenol 104-43-8|4-Dodecylphenol|EINECS 203-202-9|p-dodecilfenol|p-Dodecylphenol|p-n-Dodecylphenol|Phenol, 4- dodecyl-|Phenol, p-dodecyl-|UNII-EZF5Y6P2G8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022508
ERPathway2016 ERPathway2016_165 4-Dodecylphenol 104-43-8 DTXSID1022508 Agonist ER Pathway Model, Antagonist ACC 0.620395273083896 uM CCCCCCCCCCCCC1=CC=C(O)C=C1 4-Dodecylphenol 104-43-8|4-Dodecylphenol|EINECS 203-202-9|p-dodecilfenol|p-Dodecylphenol|p-n-Dodecylphenol|Phenol, 4- dodecyl-|Phenol, p-dodecyl-|UNII-EZF5Y6P2G8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022508
ERPathway2016 ERPathway2016_165 4-Dodecylphenol 104-43-8 DTXSID1022508 Agonist ER Pathway Model, Agonist Model Score 0.41 Unitless CCCCCCCCCCCCC1=CC=C(O)C=C1 4-Dodecylphenol 104-43-8|4-Dodecylphenol|EINECS 203-202-9|p-dodecilfenol|p-Dodecylphenol|p-n-Dodecylphenol|Phenol, 4- dodecyl-|Phenol, p-dodecyl-|UNII-EZF5Y6P2G8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022508
ERPathway2016 ERPathway2016_165 4-Dodecylphenol 104-43-8 DTXSID1022508 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCC1=CC=C(O)C=C1 4-Dodecylphenol 104-43-8|4-Dodecylphenol|EINECS 203-202-9|p-dodecilfenol|p-Dodecylphenol|p-n-Dodecylphenol|Phenol, 4- dodecyl-|Phenol, p-dodecyl-|UNII-EZF5Y6P2G8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022508
ERPathway2016 ERPathway2016_165 4-Dodecylphenol 104-43-8 DTXSID1022508 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCC1=CC=C(O)C=C1 4-Dodecylphenol 104-43-8|4-Dodecylphenol|EINECS 203-202-9|p-dodecilfenol|p-Dodecylphenol|p-n-Dodecylphenol|Phenol, 4- dodecyl-|Phenol, p-dodecyl-|UNII-EZF5Y6P2G8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022508
ERPathway2016 ERPathway2016_165 4-Dodecylphenol 104-43-8 DTXSID1022508 Agonist ER Pathway Model, Antagonist Call Active Unitless CCCCCCCCCCCCC1=CC=C(O)C=C1 4-Dodecylphenol 104-43-8|4-Dodecylphenol|EINECS 203-202-9|p-dodecilfenol|p-Dodecylphenol|p-n-Dodecylphenol|Phenol, 4- dodecyl-|Phenol, p-dodecyl-|UNII-EZF5Y6P2G8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022508
ARPathway2016 ARPathway2016_899 4-Ethoxyaniline 156-43-4 DTXSID0025864 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC1=CC=C(N)C=C1 4-Ethoxyaniline 156-43-4|4-Ethoxyaniline|1-Amino-4-ethoxybenzene|4-13-00-01017|4-Aminoethoxybenzene|4-Aminophenetole|4-aminophenyl ethyl ether|4-Ethoxybenzenamine|4-Ethoxybenzeneamine|4-Ethoxyphenylamine|4-Phenetidine|ANILINE, 4-ETHOXY-|Aniline, p-ethoxy-|Benzenamine, 4-ethoxy-|BRN 0606666|EINECS 205-855-5|ethyl p-aminophenol|NSC 3116|p-aminoethoxybenzene|p-Aminofenetol|p-Aminophenetole|p-aminophenyl ethyl ether|p-Ethoxyaniline|p-Ethoxyphenylamine|p-Fenetidin|p-fenetidina|p-Phenetidin|p-Phenetidine|Phenethidine|phenetidine|UNII-9TSL224ZSE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025864 https://doi.org/10.22427/NTP-DATA-DTXSID0025864
ARPathway2016 ARPathway2016_899 4-Ethoxyaniline 156-43-4 DTXSID0025864 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CCOC1=CC=C(N)C=C1 4-Ethoxyaniline 156-43-4|4-Ethoxyaniline|1-Amino-4-ethoxybenzene|4-13-00-01017|4-Aminoethoxybenzene|4-Aminophenetole|4-aminophenyl ethyl ether|4-Ethoxybenzenamine|4-Ethoxybenzeneamine|4-Ethoxyphenylamine|4-Phenetidine|ANILINE, 4-ETHOXY-|Aniline, p-ethoxy-|Benzenamine, 4-ethoxy-|BRN 0606666|EINECS 205-855-5|ethyl p-aminophenol|NSC 3116|p-aminoethoxybenzene|p-Aminofenetol|p-Aminophenetole|p-aminophenyl ethyl ether|p-Ethoxyaniline|p-Ethoxyphenylamine|p-Fenetidin|p-fenetidina|p-Phenetidin|p-Phenetidine|Phenethidine|phenetidine|UNII-9TSL224ZSE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025864 https://doi.org/10.22427/NTP-DATA-DTXSID0025864
ARPathway2016 ARPathway2016_899 4-Ethoxyaniline 156-43-4 DTXSID0025864 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CCOC1=CC=C(N)C=C1 4-Ethoxyaniline 156-43-4|4-Ethoxyaniline|1-Amino-4-ethoxybenzene|4-13-00-01017|4-Aminoethoxybenzene|4-Aminophenetole|4-aminophenyl ethyl ether|4-Ethoxybenzenamine|4-Ethoxybenzeneamine|4-Ethoxyphenylamine|4-Phenetidine|ANILINE, 4-ETHOXY-|Aniline, p-ethoxy-|Benzenamine, 4-ethoxy-|BRN 0606666|EINECS 205-855-5|ethyl p-aminophenol|NSC 3116|p-aminoethoxybenzene|p-Aminofenetol|p-Aminophenetole|p-aminophenyl ethyl ether|p-Ethoxyaniline|p-Ethoxyphenylamine|p-Fenetidin|p-fenetidina|p-Phenetidin|p-Phenetidine|Phenethidine|phenetidine|UNII-9TSL224ZSE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025864 https://doi.org/10.22427/NTP-DATA-DTXSID0025864
ARPathway2016 ARPathway2016_899 4-Ethoxyaniline 156-43-4 DTXSID0025864 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CCOC1=CC=C(N)C=C1 4-Ethoxyaniline 156-43-4|4-Ethoxyaniline|1-Amino-4-ethoxybenzene|4-13-00-01017|4-Aminoethoxybenzene|4-Aminophenetole|4-aminophenyl ethyl ether|4-Ethoxybenzenamine|4-Ethoxybenzeneamine|4-Ethoxyphenylamine|4-Phenetidine|ANILINE, 4-ETHOXY-|Aniline, p-ethoxy-|Benzenamine, 4-ethoxy-|BRN 0606666|EINECS 205-855-5|ethyl p-aminophenol|NSC 3116|p-aminoethoxybenzene|p-Aminofenetol|p-Aminophenetole|p-aminophenyl ethyl ether|p-Ethoxyaniline|p-Ethoxyphenylamine|p-Fenetidin|p-fenetidina|p-Phenetidin|p-Phenetidine|Phenethidine|phenetidine|UNII-9TSL224ZSE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025864 https://doi.org/10.22427/NTP-DATA-DTXSID0025864
ERPathway2016 ERPathway2016_1329 4-Ethoxyaniline 156-43-4 DTXSID0025864 ER Pathway Model, Agonist Model Score 0 Unitless CCOC1=CC=C(N)C=C1 4-Ethoxyaniline 156-43-4|4-Ethoxyaniline|1-Amino-4-ethoxybenzene|4-13-00-01017|4-Aminoethoxybenzene|4-Aminophenetole|4-aminophenyl ethyl ether|4-Ethoxybenzenamine|4-Ethoxybenzeneamine|4-Ethoxyphenylamine|4-Phenetidine|ANILINE, 4-ETHOXY-|Aniline, p-ethoxy-|Benzenamine, 4-ethoxy-|BRN 0606666|EINECS 205-855-5|ethyl p-aminophenol|NSC 3116|p-aminoethoxybenzene|p-Aminofenetol|p-Aminophenetole|p-aminophenyl ethyl ether|p-Ethoxyaniline|p-Ethoxyphenylamine|p-Fenetidin|p-fenetidina|p-Phenetidin|p-Phenetidine|Phenethidine|phenetidine|UNII-9TSL224ZSE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025864 https://doi.org/10.22427/NTP-DATA-DTXSID0025864
ERPathway2016 ERPathway2016_1329 4-Ethoxyaniline 156-43-4 DTXSID0025864 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC1=CC=C(N)C=C1 4-Ethoxyaniline 156-43-4|4-Ethoxyaniline|1-Amino-4-ethoxybenzene|4-13-00-01017|4-Aminoethoxybenzene|4-Aminophenetole|4-aminophenyl ethyl ether|4-Ethoxybenzenamine|4-Ethoxybenzeneamine|4-Ethoxyphenylamine|4-Phenetidine|ANILINE, 4-ETHOXY-|Aniline, p-ethoxy-|Benzenamine, 4-ethoxy-|BRN 0606666|EINECS 205-855-5|ethyl p-aminophenol|NSC 3116|p-aminoethoxybenzene|p-Aminofenetol|p-Aminophenetole|p-aminophenyl ethyl ether|p-Ethoxyaniline|p-Ethoxyphenylamine|p-Fenetidin|p-fenetidina|p-Phenetidin|p-Phenetidine|Phenethidine|phenetidine|UNII-9TSL224ZSE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025864 https://doi.org/10.22427/NTP-DATA-DTXSID0025864
ERPathway2016 ERPathway2016_1329 4-Ethoxyaniline 156-43-4 DTXSID0025864 ER Pathway Model, Agonist Call Inactive Unitless CCOC1=CC=C(N)C=C1 4-Ethoxyaniline 156-43-4|4-Ethoxyaniline|1-Amino-4-ethoxybenzene|4-13-00-01017|4-Aminoethoxybenzene|4-Aminophenetole|4-aminophenyl ethyl ether|4-Ethoxybenzenamine|4-Ethoxybenzeneamine|4-Ethoxyphenylamine|4-Phenetidine|ANILINE, 4-ETHOXY-|Aniline, p-ethoxy-|Benzenamine, 4-ethoxy-|BRN 0606666|EINECS 205-855-5|ethyl p-aminophenol|NSC 3116|p-aminoethoxybenzene|p-Aminofenetol|p-Aminophenetole|p-aminophenyl ethyl ether|p-Ethoxyaniline|p-Ethoxyphenylamine|p-Fenetidin|p-fenetidina|p-Phenetidin|p-Phenetidine|Phenethidine|phenetidine|UNII-9TSL224ZSE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025864 https://doi.org/10.22427/NTP-DATA-DTXSID0025864
ERPathway2016 ERPathway2016_1329 4-Ethoxyaniline 156-43-4 DTXSID0025864 ER Pathway Model, Antagonist Call Inactive Unitless CCOC1=CC=C(N)C=C1 4-Ethoxyaniline 156-43-4|4-Ethoxyaniline|1-Amino-4-ethoxybenzene|4-13-00-01017|4-Aminoethoxybenzene|4-Aminophenetole|4-aminophenyl ethyl ether|4-Ethoxybenzenamine|4-Ethoxybenzeneamine|4-Ethoxyphenylamine|4-Phenetidine|ANILINE, 4-ETHOXY-|Aniline, p-ethoxy-|Benzenamine, 4-ethoxy-|BRN 0606666|EINECS 205-855-5|ethyl p-aminophenol|NSC 3116|p-aminoethoxybenzene|p-Aminofenetol|p-Aminophenetole|p-aminophenyl ethyl ether|p-Ethoxyaniline|p-Ethoxyphenylamine|p-Fenetidin|p-fenetidina|p-Phenetidin|p-Phenetidine|Phenethidine|phenetidine|UNII-9TSL224ZSE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025864 https://doi.org/10.22427/NTP-DATA-DTXSID0025864
ARPathway2016 ARPathway2016_1209 4-Ethyl-1,3-dioxolan-2-one 4437-85-8 DTXSID9040342 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC1COC(=O)O1 4-Ethyl-1,3-dioxolan-2-one 4437-85-8|4-Ethyl-1,3-dioxolan-2-one|1,2-Butanediol, cyclic carbonate|1,2-Butylene carbonate|1,3-Dioxolan-2-one, 4-ethyl-|2-Oxo-4-ethyl-1,3-dioxolane|4-19-00-01571|4-Ethyl-1,3-dioxolan-2-one|BRN 0108553|Butylene carbonate|Carbonic acid, cyclic ethylethylene ester|Carbonic acid, ethylethylene ester|UNII-I64G2S50OV|126828-12-4|127128-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040342
ARPathway2016 ARPathway2016_1209 4-Ethyl-1,3-dioxolan-2-one 4437-85-8 DTXSID9040342 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC1COC(=O)O1 4-Ethyl-1,3-dioxolan-2-one 4437-85-8|4-Ethyl-1,3-dioxolan-2-one|1,2-Butanediol, cyclic carbonate|1,2-Butylene carbonate|1,3-Dioxolan-2-one, 4-ethyl-|2-Oxo-4-ethyl-1,3-dioxolane|4-19-00-01571|4-Ethyl-1,3-dioxolan-2-one|BRN 0108553|Butylene carbonate|Carbonic acid, cyclic ethylethylene ester|Carbonic acid, ethylethylene ester|UNII-I64G2S50OV|126828-12-4|127128-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040342
ARPathway2016 ARPathway2016_1209 4-Ethyl-1,3-dioxolan-2-one 4437-85-8 DTXSID9040342 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC1COC(=O)O1 4-Ethyl-1,3-dioxolan-2-one 4437-85-8|4-Ethyl-1,3-dioxolan-2-one|1,2-Butanediol, cyclic carbonate|1,2-Butylene carbonate|1,3-Dioxolan-2-one, 4-ethyl-|2-Oxo-4-ethyl-1,3-dioxolane|4-19-00-01571|4-Ethyl-1,3-dioxolan-2-one|BRN 0108553|Butylene carbonate|Carbonic acid, cyclic ethylethylene ester|Carbonic acid, ethylethylene ester|UNII-I64G2S50OV|126828-12-4|127128-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040342
ARPathway2016 ARPathway2016_1209 4-Ethyl-1,3-dioxolan-2-one 4437-85-8 DTXSID9040342 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC1COC(=O)O1 4-Ethyl-1,3-dioxolan-2-one 4437-85-8|4-Ethyl-1,3-dioxolan-2-one|1,2-Butanediol, cyclic carbonate|1,2-Butylene carbonate|1,3-Dioxolan-2-one, 4-ethyl-|2-Oxo-4-ethyl-1,3-dioxolane|4-19-00-01571|4-Ethyl-1,3-dioxolan-2-one|BRN 0108553|Butylene carbonate|Carbonic acid, cyclic ethylethylene ester|Carbonic acid, ethylethylene ester|UNII-I64G2S50OV|126828-12-4|127128-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040342
ERPathway2016 ERPathway2016_1483 4-Ethyl-1,3-dioxolan-2-one 4437-85-8 DTXSID9040342 ER Pathway Model, Agonist Model Score 0 Unitless CCC1COC(=O)O1 4-Ethyl-1,3-dioxolan-2-one 4437-85-8|4-Ethyl-1,3-dioxolan-2-one|1,2-Butanediol, cyclic carbonate|1,2-Butylene carbonate|1,3-Dioxolan-2-one, 4-ethyl-|2-Oxo-4-ethyl-1,3-dioxolane|4-19-00-01571|4-Ethyl-1,3-dioxolan-2-one|BRN 0108553|Butylene carbonate|Carbonic acid, cyclic ethylethylene ester|Carbonic acid, ethylethylene ester|UNII-I64G2S50OV|126828-12-4|127128-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040342
ERPathway2016 ERPathway2016_1483 4-Ethyl-1,3-dioxolan-2-one 4437-85-8 DTXSID9040342 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1COC(=O)O1 4-Ethyl-1,3-dioxolan-2-one 4437-85-8|4-Ethyl-1,3-dioxolan-2-one|1,2-Butanediol, cyclic carbonate|1,2-Butylene carbonate|1,3-Dioxolan-2-one, 4-ethyl-|2-Oxo-4-ethyl-1,3-dioxolane|4-19-00-01571|4-Ethyl-1,3-dioxolan-2-one|BRN 0108553|Butylene carbonate|Carbonic acid, cyclic ethylethylene ester|Carbonic acid, ethylethylene ester|UNII-I64G2S50OV|126828-12-4|127128-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040342
ERPathway2016 ERPathway2016_1483 4-Ethyl-1,3-dioxolan-2-one 4437-85-8 DTXSID9040342 ER Pathway Model, Agonist Call Inactive Unitless CCC1COC(=O)O1 4-Ethyl-1,3-dioxolan-2-one 4437-85-8|4-Ethyl-1,3-dioxolan-2-one|1,2-Butanediol, cyclic carbonate|1,2-Butylene carbonate|1,3-Dioxolan-2-one, 4-ethyl-|2-Oxo-4-ethyl-1,3-dioxolane|4-19-00-01571|4-Ethyl-1,3-dioxolan-2-one|BRN 0108553|Butylene carbonate|Carbonic acid, cyclic ethylethylene ester|Carbonic acid, ethylethylene ester|UNII-I64G2S50OV|126828-12-4|127128-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040342
ERPathway2016 ERPathway2016_1483 4-Ethyl-1,3-dioxolan-2-one 4437-85-8 DTXSID9040342 ER Pathway Model, Antagonist Call Inactive Unitless CCC1COC(=O)O1 4-Ethyl-1,3-dioxolan-2-one 4437-85-8|4-Ethyl-1,3-dioxolan-2-one|1,2-Butanediol, cyclic carbonate|1,2-Butylene carbonate|1,3-Dioxolan-2-one, 4-ethyl-|2-Oxo-4-ethyl-1,3-dioxolane|4-19-00-01571|4-Ethyl-1,3-dioxolan-2-one|BRN 0108553|Butylene carbonate|Carbonic acid, cyclic ethylethylene ester|Carbonic acid, ethylethylene ester|UNII-I64G2S50OV|126828-12-4|127128-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040342
ARPathway2016 ARPathway2016_1365 4-Ethyloct-1-yn-3-ol 5877-42-9 DTXSID1044697 1.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)C(O)C#C 4-Ethyloct-1-yn-3-ol 5877-42-9|4-Ethyloct-1-yn-3-ol|1-Octyn-3-ol, 4-ethyl-|4-Ethyl-1-octyn-3-0l|4-Ethyl-1-octyn-3-ol|EINECS 227-545-9|Ethyloctynol|NSC 62119 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044697
ARPathway2016 ARPathway2016_1365 4-Ethyloct-1-yn-3-ol 5877-42-9 DTXSID1044697 1.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)C(O)C#C 4-Ethyloct-1-yn-3-ol 5877-42-9|4-Ethyloct-1-yn-3-ol|1-Octyn-3-ol, 4-ethyl-|4-Ethyl-1-octyn-3-0l|4-Ethyl-1-octyn-3-ol|EINECS 227-545-9|Ethyloctynol|NSC 62119 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044697
ARPathway2016 ARPathway2016_1365 4-Ethyloct-1-yn-3-ol 5877-42-9 DTXSID1044697 1.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)C(O)C#C 4-Ethyloct-1-yn-3-ol 5877-42-9|4-Ethyloct-1-yn-3-ol|1-Octyn-3-ol, 4-ethyl-|4-Ethyl-1-octyn-3-0l|4-Ethyl-1-octyn-3-ol|EINECS 227-545-9|Ethyloctynol|NSC 62119 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044697
ARPathway2016 ARPathway2016_1365 4-Ethyloct-1-yn-3-ol 5877-42-9 DTXSID1044697 1.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)C(O)C#C 4-Ethyloct-1-yn-3-ol 5877-42-9|4-Ethyloct-1-yn-3-ol|1-Octyn-3-ol, 4-ethyl-|4-Ethyl-1-octyn-3-0l|4-Ethyl-1-octyn-3-ol|EINECS 227-545-9|Ethyloctynol|NSC 62119 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044697
ARPathway2016 ARPathway2016_711 4-Ethylphenol 123-07-9 DTXSID4021977 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC1=CC=C(O)C=C1 4-Ethylphenol 123-07-9|4-Ethylphenol|(4-Hydroxyphenyl)ethane|(p-Hydroxyphenyl)ethane|1-Ethyl-4-hydroxybenzene|1-Hydroxy-4-ethylbenzene|4-06-00-03020|4-etilfenol|4-Hydroxyethylbenzene|4-Hydroxyphenylethane|BRN 1363317|EINECS 204-598-6|FEMA No. 3156|Hydroxyphenylethane, p-|NSC 62012|p-Ethylphenol|p-Hydroxyethylbenzene|para-Ethylphenol|Phenol, 4-ethyl-|Phenol, p-ethyl-|UNII-AGG7E6G0ZC|1326305-80-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021977
ARPathway2016 ARPathway2016_711 4-Ethylphenol 123-07-9 DTXSID4021977 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC1=CC=C(O)C=C1 4-Ethylphenol 123-07-9|4-Ethylphenol|(4-Hydroxyphenyl)ethane|(p-Hydroxyphenyl)ethane|1-Ethyl-4-hydroxybenzene|1-Hydroxy-4-ethylbenzene|4-06-00-03020|4-etilfenol|4-Hydroxyethylbenzene|4-Hydroxyphenylethane|BRN 1363317|EINECS 204-598-6|FEMA No. 3156|Hydroxyphenylethane, p-|NSC 62012|p-Ethylphenol|p-Hydroxyethylbenzene|para-Ethylphenol|Phenol, 4-ethyl-|Phenol, p-ethyl-|UNII-AGG7E6G0ZC|1326305-80-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021977
ARPathway2016 ARPathway2016_711 4-Ethylphenol 123-07-9 DTXSID4021977 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC1=CC=C(O)C=C1 4-Ethylphenol 123-07-9|4-Ethylphenol|(4-Hydroxyphenyl)ethane|(p-Hydroxyphenyl)ethane|1-Ethyl-4-hydroxybenzene|1-Hydroxy-4-ethylbenzene|4-06-00-03020|4-etilfenol|4-Hydroxyethylbenzene|4-Hydroxyphenylethane|BRN 1363317|EINECS 204-598-6|FEMA No. 3156|Hydroxyphenylethane, p-|NSC 62012|p-Ethylphenol|p-Hydroxyethylbenzene|para-Ethylphenol|Phenol, 4-ethyl-|Phenol, p-ethyl-|UNII-AGG7E6G0ZC|1326305-80-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021977
ARPathway2016 ARPathway2016_711 4-Ethylphenol 123-07-9 DTXSID4021977 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC1=CC=C(O)C=C1 4-Ethylphenol 123-07-9|4-Ethylphenol|(4-Hydroxyphenyl)ethane|(p-Hydroxyphenyl)ethane|1-Ethyl-4-hydroxybenzene|1-Hydroxy-4-ethylbenzene|4-06-00-03020|4-etilfenol|4-Hydroxyethylbenzene|4-Hydroxyphenylethane|BRN 1363317|EINECS 204-598-6|FEMA No. 3156|Hydroxyphenylethane, p-|NSC 62012|p-Ethylphenol|p-Hydroxyethylbenzene|para-Ethylphenol|Phenol, 4-ethyl-|Phenol, p-ethyl-|UNII-AGG7E6G0ZC|1326305-80-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021977
ERPathway2016 ERPathway2016_464 4-Ethylphenol 123-07-9 DTXSID4021977 ER Pathway Model, Antagonist AC50 54.0425139317328 uM CCC1=CC=C(O)C=C1 4-Ethylphenol 123-07-9|4-Ethylphenol|(4-Hydroxyphenyl)ethane|(p-Hydroxyphenyl)ethane|1-Ethyl-4-hydroxybenzene|1-Hydroxy-4-ethylbenzene|4-06-00-03020|4-etilfenol|4-Hydroxyethylbenzene|4-Hydroxyphenylethane|BRN 1363317|EINECS 204-598-6|FEMA No. 3156|Hydroxyphenylethane, p-|NSC 62012|p-Ethylphenol|p-Hydroxyethylbenzene|para-Ethylphenol|Phenol, 4-ethyl-|Phenol, p-ethyl-|UNII-AGG7E6G0ZC|1326305-80-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021977
ERPathway2016 ERPathway2016_464 4-Ethylphenol 123-07-9 DTXSID4021977 ER Pathway Model, Antagonist ACC 44.6362455584907 uM CCC1=CC=C(O)C=C1 4-Ethylphenol 123-07-9|4-Ethylphenol|(4-Hydroxyphenyl)ethane|(p-Hydroxyphenyl)ethane|1-Ethyl-4-hydroxybenzene|1-Hydroxy-4-ethylbenzene|4-06-00-03020|4-etilfenol|4-Hydroxyethylbenzene|4-Hydroxyphenylethane|BRN 1363317|EINECS 204-598-6|FEMA No. 3156|Hydroxyphenylethane, p-|NSC 62012|p-Ethylphenol|p-Hydroxyethylbenzene|para-Ethylphenol|Phenol, 4-ethyl-|Phenol, p-ethyl-|UNII-AGG7E6G0ZC|1326305-80-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021977
ERPathway2016 ERPathway2016_464 4-Ethylphenol 123-07-9 DTXSID4021977 ER Pathway Model, Agonist Model Score 0.00352 Unitless CCC1=CC=C(O)C=C1 4-Ethylphenol 123-07-9|4-Ethylphenol|(4-Hydroxyphenyl)ethane|(p-Hydroxyphenyl)ethane|1-Ethyl-4-hydroxybenzene|1-Hydroxy-4-ethylbenzene|4-06-00-03020|4-etilfenol|4-Hydroxyethylbenzene|4-Hydroxyphenylethane|BRN 1363317|EINECS 204-598-6|FEMA No. 3156|Hydroxyphenylethane, p-|NSC 62012|p-Ethylphenol|p-Hydroxyethylbenzene|para-Ethylphenol|Phenol, 4-ethyl-|Phenol, p-ethyl-|UNII-AGG7E6G0ZC|1326305-80-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021977
ERPathway2016 ERPathway2016_464 4-Ethylphenol 123-07-9 DTXSID4021977 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=CC=C(O)C=C1 4-Ethylphenol 123-07-9|4-Ethylphenol|(4-Hydroxyphenyl)ethane|(p-Hydroxyphenyl)ethane|1-Ethyl-4-hydroxybenzene|1-Hydroxy-4-ethylbenzene|4-06-00-03020|4-etilfenol|4-Hydroxyethylbenzene|4-Hydroxyphenylethane|BRN 1363317|EINECS 204-598-6|FEMA No. 3156|Hydroxyphenylethane, p-|NSC 62012|p-Ethylphenol|p-Hydroxyethylbenzene|para-Ethylphenol|Phenol, 4-ethyl-|Phenol, p-ethyl-|UNII-AGG7E6G0ZC|1326305-80-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021977
ERPathway2016 ERPathway2016_464 4-Ethylphenol 123-07-9 DTXSID4021977 ER Pathway Model, Agonist Call Inactive Unitless CCC1=CC=C(O)C=C1 4-Ethylphenol 123-07-9|4-Ethylphenol|(4-Hydroxyphenyl)ethane|(p-Hydroxyphenyl)ethane|1-Ethyl-4-hydroxybenzene|1-Hydroxy-4-ethylbenzene|4-06-00-03020|4-etilfenol|4-Hydroxyethylbenzene|4-Hydroxyphenylethane|BRN 1363317|EINECS 204-598-6|FEMA No. 3156|Hydroxyphenylethane, p-|NSC 62012|p-Ethylphenol|p-Hydroxyethylbenzene|para-Ethylphenol|Phenol, 4-ethyl-|Phenol, p-ethyl-|UNII-AGG7E6G0ZC|1326305-80-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021977
ERPathway2016 ERPathway2016_464 4-Ethylphenol 123-07-9 DTXSID4021977 ER Pathway Model, Antagonist Call Active Unitless CCC1=CC=C(O)C=C1 4-Ethylphenol 123-07-9|4-Ethylphenol|(4-Hydroxyphenyl)ethane|(p-Hydroxyphenyl)ethane|1-Ethyl-4-hydroxybenzene|1-Hydroxy-4-ethylbenzene|4-06-00-03020|4-etilfenol|4-Hydroxyethylbenzene|4-Hydroxyphenylethane|BRN 1363317|EINECS 204-598-6|FEMA No. 3156|Hydroxyphenylethane, p-|NSC 62012|p-Ethylphenol|p-Hydroxyethylbenzene|para-Ethylphenol|Phenol, 4-ethyl-|Phenol, p-ethyl-|UNII-AGG7E6G0ZC|1326305-80-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021977
ARPathway2016 ARPathway2016_971 4-Heptylphenol 1987-50-4 DTXSID2037714 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCC1=CC=C(O)C=C1 4-Heptylphenol 1987-50-4|4-Heptylphenol|4-n-Heptylphenol|EINECS 217-862-0|p-Heptylphenol|p-Hydroxyheptylbenzene|Phenol, 4-heptyl-|UNII-I743Z35DVB https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037714
ARPathway2016 ARPathway2016_971 4-Heptylphenol 1987-50-4 DTXSID2037714 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCC1=CC=C(O)C=C1 4-Heptylphenol 1987-50-4|4-Heptylphenol|4-n-Heptylphenol|EINECS 217-862-0|p-Heptylphenol|p-Hydroxyheptylbenzene|Phenol, 4-heptyl-|UNII-I743Z35DVB https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037714
ARPathway2016 ARPathway2016_971 4-Heptylphenol 1987-50-4 DTXSID2037714 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCC1=CC=C(O)C=C1 4-Heptylphenol 1987-50-4|4-Heptylphenol|4-n-Heptylphenol|EINECS 217-862-0|p-Heptylphenol|p-Hydroxyheptylbenzene|Phenol, 4-heptyl-|UNII-I743Z35DVB https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037714
ARPathway2016 ARPathway2016_971 4-Heptylphenol 1987-50-4 DTXSID2037714 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCC1=CC=C(O)C=C1 4-Heptylphenol 1987-50-4|4-Heptylphenol|4-n-Heptylphenol|EINECS 217-862-0|p-Heptylphenol|p-Hydroxyheptylbenzene|Phenol, 4-heptyl-|UNII-I743Z35DVB https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037714
ERPathway2016 ERPathway2016_229 4-Heptylphenol 1987-50-4 DTXSID2037714 Agonist ER Pathway Model, Antagonist AC50 10.8895870305897 uM CCCCCCCC1=CC=C(O)C=C1 4-Heptylphenol 1987-50-4|4-Heptylphenol|4-n-Heptylphenol|EINECS 217-862-0|p-Heptylphenol|p-Hydroxyheptylbenzene|Phenol, 4-heptyl-|UNII-I743Z35DVB https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037714
ERPathway2016 ERPathway2016_229 4-Heptylphenol 1987-50-4 DTXSID2037714 Agonist ER Pathway Model, Antagonist ACC 4.26554247458292 uM CCCCCCCC1=CC=C(O)C=C1 4-Heptylphenol 1987-50-4|4-Heptylphenol|4-n-Heptylphenol|EINECS 217-862-0|p-Heptylphenol|p-Hydroxyheptylbenzene|Phenol, 4-heptyl-|UNII-I743Z35DVB https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037714
ERPathway2016 ERPathway2016_229 4-Heptylphenol 1987-50-4 DTXSID2037714 Agonist ER Pathway Model, Agonist Model Score 0.113 Unitless CCCCCCCC1=CC=C(O)C=C1 4-Heptylphenol 1987-50-4|4-Heptylphenol|4-n-Heptylphenol|EINECS 217-862-0|p-Heptylphenol|p-Hydroxyheptylbenzene|Phenol, 4-heptyl-|UNII-I743Z35DVB https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037714
ERPathway2016 ERPathway2016_229 4-Heptylphenol 1987-50-4 DTXSID2037714 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCC1=CC=C(O)C=C1 4-Heptylphenol 1987-50-4|4-Heptylphenol|4-n-Heptylphenol|EINECS 217-862-0|p-Heptylphenol|p-Hydroxyheptylbenzene|Phenol, 4-heptyl-|UNII-I743Z35DVB https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037714
ERPathway2016 ERPathway2016_229 4-Heptylphenol 1987-50-4 DTXSID2037714 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCC1=CC=C(O)C=C1 4-Heptylphenol 1987-50-4|4-Heptylphenol|4-n-Heptylphenol|EINECS 217-862-0|p-Heptylphenol|p-Hydroxyheptylbenzene|Phenol, 4-heptyl-|UNII-I743Z35DVB https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037714
ERPathway2016 ERPathway2016_229 4-Heptylphenol 1987-50-4 DTXSID2037714 Agonist ER Pathway Model, Antagonist Call Active Unitless CCCCCCCC1=CC=C(O)C=C1 4-Heptylphenol 1987-50-4|4-Heptylphenol|4-n-Heptylphenol|EINECS 217-862-0|p-Heptylphenol|p-Hydroxyheptylbenzene|Phenol, 4-heptyl-|UNII-I743Z35DVB https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037714
ARPathway2016 ARPathway2016_1148 4-Hexylaniline 33228-45-4 DTXSID5040708 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC1=CC=C(N)C=C1 4-Hexylaniline 33228-45-4|4-Hexylaniline|4-12-00-02868|4-Hexylbenzenamine|Aniline, p-hexyl-|Benzenamine, 4-hexyl-|BRN 2085111|EINECS 251-409-8|p-Hexylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID5040708
ARPathway2016 ARPathway2016_1148 4-Hexylaniline 33228-45-4 DTXSID5040708 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCC1=CC=C(N)C=C1 4-Hexylaniline 33228-45-4|4-Hexylaniline|4-12-00-02868|4-Hexylbenzenamine|Aniline, p-hexyl-|Benzenamine, 4-hexyl-|BRN 2085111|EINECS 251-409-8|p-Hexylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID5040708
ARPathway2016 ARPathway2016_1148 4-Hexylaniline 33228-45-4 DTXSID5040708 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCC1=CC=C(N)C=C1 4-Hexylaniline 33228-45-4|4-Hexylaniline|4-12-00-02868|4-Hexylbenzenamine|Aniline, p-hexyl-|Benzenamine, 4-hexyl-|BRN 2085111|EINECS 251-409-8|p-Hexylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID5040708
ARPathway2016 ARPathway2016_1148 4-Hexylaniline 33228-45-4 DTXSID5040708 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCC1=CC=C(N)C=C1 4-Hexylaniline 33228-45-4|4-Hexylaniline|4-12-00-02868|4-Hexylbenzenamine|Aniline, p-hexyl-|Benzenamine, 4-hexyl-|BRN 2085111|EINECS 251-409-8|p-Hexylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID5040708
ERPathway2016 ERPathway2016_24 4-Hexylaniline 33228-45-4 DTXSID5040708 ER Pathway Model, Agonist AC50 28.1023249812102 uM CCCCCCC1=CC=C(N)C=C1 4-Hexylaniline 33228-45-4|4-Hexylaniline|4-12-00-02868|4-Hexylbenzenamine|Aniline, p-hexyl-|Benzenamine, 4-hexyl-|BRN 2085111|EINECS 251-409-8|p-Hexylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID5040708
ERPathway2016 ERPathway2016_24 4-Hexylaniline 33228-45-4 DTXSID5040708 ER Pathway Model, Agonist ACC 13.5505993059409 uM CCCCCCC1=CC=C(N)C=C1 4-Hexylaniline 33228-45-4|4-Hexylaniline|4-12-00-02868|4-Hexylbenzenamine|Aniline, p-hexyl-|Benzenamine, 4-hexyl-|BRN 2085111|EINECS 251-409-8|p-Hexylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID5040708
ERPathway2016 ERPathway2016_24 4-Hexylaniline 33228-45-4 DTXSID5040708 ER Pathway Model, Agonist Model Score 0.00955 Unitless CCCCCCC1=CC=C(N)C=C1 4-Hexylaniline 33228-45-4|4-Hexylaniline|4-12-00-02868|4-Hexylbenzenamine|Aniline, p-hexyl-|Benzenamine, 4-hexyl-|BRN 2085111|EINECS 251-409-8|p-Hexylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID5040708
ERPathway2016 ERPathway2016_24 4-Hexylaniline 33228-45-4 DTXSID5040708 ER Pathway Model, Antagonist Model Score 0.0357 Unitless CCCCCCC1=CC=C(N)C=C1 4-Hexylaniline 33228-45-4|4-Hexylaniline|4-12-00-02868|4-Hexylbenzenamine|Aniline, p-hexyl-|Benzenamine, 4-hexyl-|BRN 2085111|EINECS 251-409-8|p-Hexylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID5040708
ERPathway2016 ERPathway2016_24 4-Hexylaniline 33228-45-4 DTXSID5040708 ER Pathway Model, Agonist Call Active Unitless CCCCCCC1=CC=C(N)C=C1 4-Hexylaniline 33228-45-4|4-Hexylaniline|4-12-00-02868|4-Hexylbenzenamine|Aniline, p-hexyl-|Benzenamine, 4-hexyl-|BRN 2085111|EINECS 251-409-8|p-Hexylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID5040708
ERPathway2016 ERPathway2016_24 4-Hexylaniline 33228-45-4 DTXSID5040708 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCC1=CC=C(N)C=C1 4-Hexylaniline 33228-45-4|4-Hexylaniline|4-12-00-02868|4-Hexylbenzenamine|Aniline, p-hexyl-|Benzenamine, 4-hexyl-|BRN 2085111|EINECS 251-409-8|p-Hexylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID5040708
ARPathway2016 ARPathway2016_1190 4-Hexyloxyaniline 39905-57-2 DTXSID4022288 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCOC1=CC=C(N)C=C1 4-Hexyloxyaniline 39905-57-2|4-Hexyloxyaniline|(p-Hexyloxy)aniline|3-13-00-00998|4-(Hexyloxy)benzenamine|BRN 2936950|EINECS 254-696-8|UNII-VMX449YP3L https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022288
ARPathway2016 ARPathway2016_1190 4-Hexyloxyaniline 39905-57-2 DTXSID4022288 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCOC1=CC=C(N)C=C1 4-Hexyloxyaniline 39905-57-2|4-Hexyloxyaniline|(p-Hexyloxy)aniline|3-13-00-00998|4-(Hexyloxy)benzenamine|BRN 2936950|EINECS 254-696-8|UNII-VMX449YP3L https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022288
ARPathway2016 ARPathway2016_1190 4-Hexyloxyaniline 39905-57-2 DTXSID4022288 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCOC1=CC=C(N)C=C1 4-Hexyloxyaniline 39905-57-2|4-Hexyloxyaniline|(p-Hexyloxy)aniline|3-13-00-00998|4-(Hexyloxy)benzenamine|BRN 2936950|EINECS 254-696-8|UNII-VMX449YP3L https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022288
ARPathway2016 ARPathway2016_1190 4-Hexyloxyaniline 39905-57-2 DTXSID4022288 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCOC1=CC=C(N)C=C1 4-Hexyloxyaniline 39905-57-2|4-Hexyloxyaniline|(p-Hexyloxy)aniline|3-13-00-00998|4-(Hexyloxy)benzenamine|BRN 2936950|EINECS 254-696-8|UNII-VMX449YP3L https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022288
ERPathway2016 ERPathway2016_47 4-Hexyloxyaniline 39905-57-2 DTXSID4022288 ER Pathway Model, Agonist AC50 52.4966090975519 uM CCCCCCOC1=CC=C(N)C=C1 4-Hexyloxyaniline 39905-57-2|4-Hexyloxyaniline|(p-Hexyloxy)aniline|3-13-00-00998|4-(Hexyloxy)benzenamine|BRN 2936950|EINECS 254-696-8|UNII-VMX449YP3L https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022288
ERPathway2016 ERPathway2016_47 4-Hexyloxyaniline 39905-57-2 DTXSID4022288 ER Pathway Model, Agonist ACC 32.1771340271835 uM CCCCCCOC1=CC=C(N)C=C1 4-Hexyloxyaniline 39905-57-2|4-Hexyloxyaniline|(p-Hexyloxy)aniline|3-13-00-00998|4-(Hexyloxy)benzenamine|BRN 2936950|EINECS 254-696-8|UNII-VMX449YP3L https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022288
ERPathway2016 ERPathway2016_47 4-Hexyloxyaniline 39905-57-2 DTXSID4022288 ER Pathway Model, Agonist Model Score 0.00257 Unitless CCCCCCOC1=CC=C(N)C=C1 4-Hexyloxyaniline 39905-57-2|4-Hexyloxyaniline|(p-Hexyloxy)aniline|3-13-00-00998|4-(Hexyloxy)benzenamine|BRN 2936950|EINECS 254-696-8|UNII-VMX449YP3L https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022288
ERPathway2016 ERPathway2016_47 4-Hexyloxyaniline 39905-57-2 DTXSID4022288 ER Pathway Model, Antagonist Model Score 0.00293 Unitless CCCCCCOC1=CC=C(N)C=C1 4-Hexyloxyaniline 39905-57-2|4-Hexyloxyaniline|(p-Hexyloxy)aniline|3-13-00-00998|4-(Hexyloxy)benzenamine|BRN 2936950|EINECS 254-696-8|UNII-VMX449YP3L https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022288
ERPathway2016 ERPathway2016_47 4-Hexyloxyaniline 39905-57-2 DTXSID4022288 ER Pathway Model, Agonist Call Active Unitless CCCCCCOC1=CC=C(N)C=C1 4-Hexyloxyaniline 39905-57-2|4-Hexyloxyaniline|(p-Hexyloxy)aniline|3-13-00-00998|4-(Hexyloxy)benzenamine|BRN 2936950|EINECS 254-696-8|UNII-VMX449YP3L https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022288
ERPathway2016 ERPathway2016_47 4-Hexyloxyaniline 39905-57-2 DTXSID4022288 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCOC1=CC=C(N)C=C1 4-Hexyloxyaniline 39905-57-2|4-Hexyloxyaniline|(p-Hexyloxy)aniline|3-13-00-00998|4-(Hexyloxy)benzenamine|BRN 2936950|EINECS 254-696-8|UNII-VMX449YP3L https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022288
ARPathway2016 ARPathway2016_68 4-Hexylresorcinol 136-77-6 DTXSID1020699 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 47.6085741 uM CCCCCCC1=C(O)C=C(O)C=C1 4-Hexylresorcinol 136-77-6|4-Hexylresorcinol|1,3-Benzenediol, 4-hexyl-|1,3-Dihydroxy-4-hexylbenzene|1,3-Dihydroxy-4-n-hexylbenzene|4-(1-Hexyl)resorcinol|4-06-00-06048|4-Hexyl-1,3-benzenediol|4-Hexyl-1,3-dihydroxybenzene|4-Hexylresorcine|4-n-Hexylresorcinol|Adrover|Antascarin|Ascaricid|Ascarinol|Ascaryl|BRN 2048312|Caprokol|Crystoids|Cystoids anthelmintic|EINECS 205-257-4|Gelovermin|Hexylresorcin|Hexylresorcinol|Hexylresorcinolum|Hexylresorzin|Hidesol|NCI-C55787|NSC 1570|p-Hexylresorcinol|Prensol|Sucrets|UNII-R9QTB5E82N|Worm-agen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020699 https://doi.org/10.22427/NTP-DATA-DTXSID1020699
ARPathway2016 ARPathway2016_68 4-Hexylresorcinol 136-77-6 DTXSID1020699 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 63.2174484099999 uM CCCCCCC1=C(O)C=C(O)C=C1 4-Hexylresorcinol 136-77-6|4-Hexylresorcinol|1,3-Benzenediol, 4-hexyl-|1,3-Dihydroxy-4-hexylbenzene|1,3-Dihydroxy-4-n-hexylbenzene|4-(1-Hexyl)resorcinol|4-06-00-06048|4-Hexyl-1,3-benzenediol|4-Hexyl-1,3-dihydroxybenzene|4-Hexylresorcine|4-n-Hexylresorcinol|Adrover|Antascarin|Ascaricid|Ascarinol|Ascaryl|BRN 2048312|Caprokol|Crystoids|Cystoids anthelmintic|EINECS 205-257-4|Gelovermin|Hexylresorcin|Hexylresorcinol|Hexylresorcinolum|Hexylresorzin|Hidesol|NCI-C55787|NSC 1570|p-Hexylresorcinol|Prensol|Sucrets|UNII-R9QTB5E82N|Worm-agen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020699 https://doi.org/10.22427/NTP-DATA-DTXSID1020699
ARPathway2016 ARPathway2016_68 4-Hexylresorcinol 136-77-6 DTXSID1020699 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.127 Unitless CCCCCCC1=C(O)C=C(O)C=C1 4-Hexylresorcinol 136-77-6|4-Hexylresorcinol|1,3-Benzenediol, 4-hexyl-|1,3-Dihydroxy-4-hexylbenzene|1,3-Dihydroxy-4-n-hexylbenzene|4-(1-Hexyl)resorcinol|4-06-00-06048|4-Hexyl-1,3-benzenediol|4-Hexyl-1,3-dihydroxybenzene|4-Hexylresorcine|4-n-Hexylresorcinol|Adrover|Antascarin|Ascaricid|Ascarinol|Ascaryl|BRN 2048312|Caprokol|Crystoids|Cystoids anthelmintic|EINECS 205-257-4|Gelovermin|Hexylresorcin|Hexylresorcinol|Hexylresorcinolum|Hexylresorzin|Hidesol|NCI-C55787|NSC 1570|p-Hexylresorcinol|Prensol|Sucrets|UNII-R9QTB5E82N|Worm-agen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020699 https://doi.org/10.22427/NTP-DATA-DTXSID1020699
ARPathway2016 ARPathway2016_68 4-Hexylresorcinol 136-77-6 DTXSID1020699 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCC1=C(O)C=C(O)C=C1 4-Hexylresorcinol 136-77-6|4-Hexylresorcinol|1,3-Benzenediol, 4-hexyl-|1,3-Dihydroxy-4-hexylbenzene|1,3-Dihydroxy-4-n-hexylbenzene|4-(1-Hexyl)resorcinol|4-06-00-06048|4-Hexyl-1,3-benzenediol|4-Hexyl-1,3-dihydroxybenzene|4-Hexylresorcine|4-n-Hexylresorcinol|Adrover|Antascarin|Ascaricid|Ascarinol|Ascaryl|BRN 2048312|Caprokol|Crystoids|Cystoids anthelmintic|EINECS 205-257-4|Gelovermin|Hexylresorcin|Hexylresorcinol|Hexylresorcinolum|Hexylresorzin|Hidesol|NCI-C55787|NSC 1570|p-Hexylresorcinol|Prensol|Sucrets|UNII-R9QTB5E82N|Worm-agen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020699 https://doi.org/10.22427/NTP-DATA-DTXSID1020699
ARPathway2016 ARPathway2016_68 4-Hexylresorcinol 136-77-6 DTXSID1020699 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCCCC1=C(O)C=C(O)C=C1 4-Hexylresorcinol 136-77-6|4-Hexylresorcinol|1,3-Benzenediol, 4-hexyl-|1,3-Dihydroxy-4-hexylbenzene|1,3-Dihydroxy-4-n-hexylbenzene|4-(1-Hexyl)resorcinol|4-06-00-06048|4-Hexyl-1,3-benzenediol|4-Hexyl-1,3-dihydroxybenzene|4-Hexylresorcine|4-n-Hexylresorcinol|Adrover|Antascarin|Ascaricid|Ascarinol|Ascaryl|BRN 2048312|Caprokol|Crystoids|Cystoids anthelmintic|EINECS 205-257-4|Gelovermin|Hexylresorcin|Hexylresorcinol|Hexylresorcinolum|Hexylresorzin|Hidesol|NCI-C55787|NSC 1570|p-Hexylresorcinol|Prensol|Sucrets|UNII-R9QTB5E82N|Worm-agen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020699 https://doi.org/10.22427/NTP-DATA-DTXSID1020699
ARPathway2016 ARPathway2016_68 4-Hexylresorcinol 136-77-6 DTXSID1020699 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCC1=C(O)C=C(O)C=C1 4-Hexylresorcinol 136-77-6|4-Hexylresorcinol|1,3-Benzenediol, 4-hexyl-|1,3-Dihydroxy-4-hexylbenzene|1,3-Dihydroxy-4-n-hexylbenzene|4-(1-Hexyl)resorcinol|4-06-00-06048|4-Hexyl-1,3-benzenediol|4-Hexyl-1,3-dihydroxybenzene|4-Hexylresorcine|4-n-Hexylresorcinol|Adrover|Antascarin|Ascaricid|Ascarinol|Ascaryl|BRN 2048312|Caprokol|Crystoids|Cystoids anthelmintic|EINECS 205-257-4|Gelovermin|Hexylresorcin|Hexylresorcinol|Hexylresorcinolum|Hexylresorzin|Hidesol|NCI-C55787|NSC 1570|p-Hexylresorcinol|Prensol|Sucrets|UNII-R9QTB5E82N|Worm-agen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020699 https://doi.org/10.22427/NTP-DATA-DTXSID1020699
ERPathway2016 ERPathway2016_257 4-Hexylresorcinol 136-77-6 DTXSID1020699 ER Pathway Model, Antagonist AC50 16.8984160590701 uM CCCCCCC1=C(O)C=C(O)C=C1 4-Hexylresorcinol 136-77-6|4-Hexylresorcinol|1,3-Benzenediol, 4-hexyl-|1,3-Dihydroxy-4-hexylbenzene|1,3-Dihydroxy-4-n-hexylbenzene|4-(1-Hexyl)resorcinol|4-06-00-06048|4-Hexyl-1,3-benzenediol|4-Hexyl-1,3-dihydroxybenzene|4-Hexylresorcine|4-n-Hexylresorcinol|Adrover|Antascarin|Ascaricid|Ascarinol|Ascaryl|BRN 2048312|Caprokol|Crystoids|Cystoids anthelmintic|EINECS 205-257-4|Gelovermin|Hexylresorcin|Hexylresorcinol|Hexylresorcinolum|Hexylresorzin|Hidesol|NCI-C55787|NSC 1570|p-Hexylresorcinol|Prensol|Sucrets|UNII-R9QTB5E82N|Worm-agen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020699 https://doi.org/10.22427/NTP-DATA-DTXSID1020699
ERPathway2016 ERPathway2016_257 4-Hexylresorcinol 136-77-6 DTXSID1020699 ER Pathway Model, Antagonist ACC 10.5243823504332 uM CCCCCCC1=C(O)C=C(O)C=C1 4-Hexylresorcinol 136-77-6|4-Hexylresorcinol|1,3-Benzenediol, 4-hexyl-|1,3-Dihydroxy-4-hexylbenzene|1,3-Dihydroxy-4-n-hexylbenzene|4-(1-Hexyl)resorcinol|4-06-00-06048|4-Hexyl-1,3-benzenediol|4-Hexyl-1,3-dihydroxybenzene|4-Hexylresorcine|4-n-Hexylresorcinol|Adrover|Antascarin|Ascaricid|Ascarinol|Ascaryl|BRN 2048312|Caprokol|Crystoids|Cystoids anthelmintic|EINECS 205-257-4|Gelovermin|Hexylresorcin|Hexylresorcinol|Hexylresorcinolum|Hexylresorzin|Hidesol|NCI-C55787|NSC 1570|p-Hexylresorcinol|Prensol|Sucrets|UNII-R9QTB5E82N|Worm-agen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020699 https://doi.org/10.22427/NTP-DATA-DTXSID1020699
ERPathway2016 ERPathway2016_257 4-Hexylresorcinol 136-77-6 DTXSID1020699 ER Pathway Model, Agonist Model Score 0.0687 Unitless CCCCCCC1=C(O)C=C(O)C=C1 4-Hexylresorcinol 136-77-6|4-Hexylresorcinol|1,3-Benzenediol, 4-hexyl-|1,3-Dihydroxy-4-hexylbenzene|1,3-Dihydroxy-4-n-hexylbenzene|4-(1-Hexyl)resorcinol|4-06-00-06048|4-Hexyl-1,3-benzenediol|4-Hexyl-1,3-dihydroxybenzene|4-Hexylresorcine|4-n-Hexylresorcinol|Adrover|Antascarin|Ascaricid|Ascarinol|Ascaryl|BRN 2048312|Caprokol|Crystoids|Cystoids anthelmintic|EINECS 205-257-4|Gelovermin|Hexylresorcin|Hexylresorcinol|Hexylresorcinolum|Hexylresorzin|Hidesol|NCI-C55787|NSC 1570|p-Hexylresorcinol|Prensol|Sucrets|UNII-R9QTB5E82N|Worm-agen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020699 https://doi.org/10.22427/NTP-DATA-DTXSID1020699
ERPathway2016 ERPathway2016_257 4-Hexylresorcinol 136-77-6 DTXSID1020699 ER Pathway Model, Antagonist Model Score 0.00583 Unitless CCCCCCC1=C(O)C=C(O)C=C1 4-Hexylresorcinol 136-77-6|4-Hexylresorcinol|1,3-Benzenediol, 4-hexyl-|1,3-Dihydroxy-4-hexylbenzene|1,3-Dihydroxy-4-n-hexylbenzene|4-(1-Hexyl)resorcinol|4-06-00-06048|4-Hexyl-1,3-benzenediol|4-Hexyl-1,3-dihydroxybenzene|4-Hexylresorcine|4-n-Hexylresorcinol|Adrover|Antascarin|Ascaricid|Ascarinol|Ascaryl|BRN 2048312|Caprokol|Crystoids|Cystoids anthelmintic|EINECS 205-257-4|Gelovermin|Hexylresorcin|Hexylresorcinol|Hexylresorcinolum|Hexylresorzin|Hidesol|NCI-C55787|NSC 1570|p-Hexylresorcinol|Prensol|Sucrets|UNII-R9QTB5E82N|Worm-agen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020699 https://doi.org/10.22427/NTP-DATA-DTXSID1020699
ERPathway2016 ERPathway2016_257 4-Hexylresorcinol 136-77-6 DTXSID1020699 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCC1=C(O)C=C(O)C=C1 4-Hexylresorcinol 136-77-6|4-Hexylresorcinol|1,3-Benzenediol, 4-hexyl-|1,3-Dihydroxy-4-hexylbenzene|1,3-Dihydroxy-4-n-hexylbenzene|4-(1-Hexyl)resorcinol|4-06-00-06048|4-Hexyl-1,3-benzenediol|4-Hexyl-1,3-dihydroxybenzene|4-Hexylresorcine|4-n-Hexylresorcinol|Adrover|Antascarin|Ascaricid|Ascarinol|Ascaryl|BRN 2048312|Caprokol|Crystoids|Cystoids anthelmintic|EINECS 205-257-4|Gelovermin|Hexylresorcin|Hexylresorcinol|Hexylresorcinolum|Hexylresorzin|Hidesol|NCI-C55787|NSC 1570|p-Hexylresorcinol|Prensol|Sucrets|UNII-R9QTB5E82N|Worm-agen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020699 https://doi.org/10.22427/NTP-DATA-DTXSID1020699
ERPathway2016 ERPathway2016_257 4-Hexylresorcinol 136-77-6 DTXSID1020699 ER Pathway Model, Antagonist Call Active Unitless CCCCCCC1=C(O)C=C(O)C=C1 4-Hexylresorcinol 136-77-6|4-Hexylresorcinol|1,3-Benzenediol, 4-hexyl-|1,3-Dihydroxy-4-hexylbenzene|1,3-Dihydroxy-4-n-hexylbenzene|4-(1-Hexyl)resorcinol|4-06-00-06048|4-Hexyl-1,3-benzenediol|4-Hexyl-1,3-dihydroxybenzene|4-Hexylresorcine|4-n-Hexylresorcinol|Adrover|Antascarin|Ascaricid|Ascarinol|Ascaryl|BRN 2048312|Caprokol|Crystoids|Cystoids anthelmintic|EINECS 205-257-4|Gelovermin|Hexylresorcin|Hexylresorcinol|Hexylresorcinolum|Hexylresorzin|Hidesol|NCI-C55787|NSC 1570|p-Hexylresorcinol|Prensol|Sucrets|UNII-R9QTB5E82N|Worm-agen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020699 https://doi.org/10.22427/NTP-DATA-DTXSID1020699
ARPathway2016 ARPathway2016_686 4-Hydroxy-3-methoxybenzaldehyde 121-33-5 DTXSID0021969 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=C(O)C=CC(C=O)=C1 4-Hydroxy-3-methoxybenzaldehyde 121-33-5|4-Hydroxy-3-methoxybenzaldehyde|2-Methoxy-4-formylphenol|3-METHOXY-4-HYDROXY-BENZALDEHYDE|3-Methoxy-4-hydroxybenzaldehyde|3-Methoxy-4-hydroxybenzaldehyde (vanillin)|4-08-00-01763|4-Formyl-2-methoxyphenol|4-hydroxy 3-methoxybenzaldehyde|4-hydroxy-3-methoxy-benzaldehyde|4-Hydroxy-3-methoxy-Benzaldehyde-5-chlorovanillin|4-Hydroxy-3-methoxybenzaldehyde (ACD/Name 4.0)|4-Hydroxy-3-methoxybenzaldehyde (vanillin)|4-Hydroxy-5-methoxybenzaldehyde|4-Hydroxy-m-anisaldehyde|Benzaldehyde, 4-hydroxy-3-methoxy-|BRN 0472792|EINECS 204-465-2|FEMA No. 3107|Lioxin|m-Anisaldehyde, 4-hydroxy-|m-Methoxy-p-hydroxybenzaldehyde|Methyl-Protocatechualdehyde|Methylprotcatechuic aldehyde|Methylprotocatechuic aldehyde|NSC 15351|NSC 403658|NSC 48383|Oleo-Resins vanilla|Oleo-Resins vanilla-bean|Oleoresin vanilla|p-Hydroxy-m-methoxybenzaldehyde|p-Vanillin|Propenylguaethol|Protocatechualdehyde 3-methyl ether|Protocatechualdehyde, methyl-|Rhovanil|UNII-CHI530446X|Vanilin|Vanilla|Vanilla oleoresin|Vanilla oleoresin (vanilla SPP)|Vanillaldehyde|Vanillic aldehyde|Vanillin|Vanill|52447-63-9|8014-42-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021969 https://doi.org/10.22427/NTP-DATA-DTXSID0021969
ARPathway2016 ARPathway2016_686 4-Hydroxy-3-methoxybenzaldehyde 121-33-5 DTXSID0021969 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless COC1=C(O)C=CC(C=O)=C1 4-Hydroxy-3-methoxybenzaldehyde 121-33-5|4-Hydroxy-3-methoxybenzaldehyde|2-Methoxy-4-formylphenol|3-METHOXY-4-HYDROXY-BENZALDEHYDE|3-Methoxy-4-hydroxybenzaldehyde|3-Methoxy-4-hydroxybenzaldehyde (vanillin)|4-08-00-01763|4-Formyl-2-methoxyphenol|4-hydroxy 3-methoxybenzaldehyde|4-hydroxy-3-methoxy-benzaldehyde|4-Hydroxy-3-methoxy-Benzaldehyde-5-chlorovanillin|4-Hydroxy-3-methoxybenzaldehyde (ACD/Name 4.0)|4-Hydroxy-3-methoxybenzaldehyde (vanillin)|4-Hydroxy-5-methoxybenzaldehyde|4-Hydroxy-m-anisaldehyde|Benzaldehyde, 4-hydroxy-3-methoxy-|BRN 0472792|EINECS 204-465-2|FEMA No. 3107|Lioxin|m-Anisaldehyde, 4-hydroxy-|m-Methoxy-p-hydroxybenzaldehyde|Methyl-Protocatechualdehyde|Methylprotcatechuic aldehyde|Methylprotocatechuic aldehyde|NSC 15351|NSC 403658|NSC 48383|Oleo-Resins vanilla|Oleo-Resins vanilla-bean|Oleoresin vanilla|p-Hydroxy-m-methoxybenzaldehyde|p-Vanillin|Propenylguaethol|Protocatechualdehyde 3-methyl ether|Protocatechualdehyde, methyl-|Rhovanil|UNII-CHI530446X|Vanilin|Vanilla|Vanilla oleoresin|Vanilla oleoresin (vanilla SPP)|Vanillaldehyde|Vanillic aldehyde|Vanillin|Vanill|52447-63-9|8014-42-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021969 https://doi.org/10.22427/NTP-DATA-DTXSID0021969
ARPathway2016 ARPathway2016_686 4-Hydroxy-3-methoxybenzaldehyde 121-33-5 DTXSID0021969 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless COC1=C(O)C=CC(C=O)=C1 4-Hydroxy-3-methoxybenzaldehyde 121-33-5|4-Hydroxy-3-methoxybenzaldehyde|2-Methoxy-4-formylphenol|3-METHOXY-4-HYDROXY-BENZALDEHYDE|3-Methoxy-4-hydroxybenzaldehyde|3-Methoxy-4-hydroxybenzaldehyde (vanillin)|4-08-00-01763|4-Formyl-2-methoxyphenol|4-hydroxy 3-methoxybenzaldehyde|4-hydroxy-3-methoxy-benzaldehyde|4-Hydroxy-3-methoxy-Benzaldehyde-5-chlorovanillin|4-Hydroxy-3-methoxybenzaldehyde (ACD/Name 4.0)|4-Hydroxy-3-methoxybenzaldehyde (vanillin)|4-Hydroxy-5-methoxybenzaldehyde|4-Hydroxy-m-anisaldehyde|Benzaldehyde, 4-hydroxy-3-methoxy-|BRN 0472792|EINECS 204-465-2|FEMA No. 3107|Lioxin|m-Anisaldehyde, 4-hydroxy-|m-Methoxy-p-hydroxybenzaldehyde|Methyl-Protocatechualdehyde|Methylprotcatechuic aldehyde|Methylprotocatechuic aldehyde|NSC 15351|NSC 403658|NSC 48383|Oleo-Resins vanilla|Oleo-Resins vanilla-bean|Oleoresin vanilla|p-Hydroxy-m-methoxybenzaldehyde|p-Vanillin|Propenylguaethol|Protocatechualdehyde 3-methyl ether|Protocatechualdehyde, methyl-|Rhovanil|UNII-CHI530446X|Vanilin|Vanilla|Vanilla oleoresin|Vanilla oleoresin (vanilla SPP)|Vanillaldehyde|Vanillic aldehyde|Vanillin|Vanill|52447-63-9|8014-42-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021969 https://doi.org/10.22427/NTP-DATA-DTXSID0021969
ARPathway2016 ARPathway2016_686 4-Hydroxy-3-methoxybenzaldehyde 121-33-5 DTXSID0021969 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless COC1=C(O)C=CC(C=O)=C1 4-Hydroxy-3-methoxybenzaldehyde 121-33-5|4-Hydroxy-3-methoxybenzaldehyde|2-Methoxy-4-formylphenol|3-METHOXY-4-HYDROXY-BENZALDEHYDE|3-Methoxy-4-hydroxybenzaldehyde|3-Methoxy-4-hydroxybenzaldehyde (vanillin)|4-08-00-01763|4-Formyl-2-methoxyphenol|4-hydroxy 3-methoxybenzaldehyde|4-hydroxy-3-methoxy-benzaldehyde|4-Hydroxy-3-methoxy-Benzaldehyde-5-chlorovanillin|4-Hydroxy-3-methoxybenzaldehyde (ACD/Name 4.0)|4-Hydroxy-3-methoxybenzaldehyde (vanillin)|4-Hydroxy-5-methoxybenzaldehyde|4-Hydroxy-m-anisaldehyde|Benzaldehyde, 4-hydroxy-3-methoxy-|BRN 0472792|EINECS 204-465-2|FEMA No. 3107|Lioxin|m-Anisaldehyde, 4-hydroxy-|m-Methoxy-p-hydroxybenzaldehyde|Methyl-Protocatechualdehyde|Methylprotcatechuic aldehyde|Methylprotocatechuic aldehyde|NSC 15351|NSC 403658|NSC 48383|Oleo-Resins vanilla|Oleo-Resins vanilla-bean|Oleoresin vanilla|p-Hydroxy-m-methoxybenzaldehyde|p-Vanillin|Propenylguaethol|Protocatechualdehyde 3-methyl ether|Protocatechualdehyde, methyl-|Rhovanil|UNII-CHI530446X|Vanilin|Vanilla|Vanilla oleoresin|Vanilla oleoresin (vanilla SPP)|Vanillaldehyde|Vanillic aldehyde|Vanillin|Vanill|52447-63-9|8014-42-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021969 https://doi.org/10.22427/NTP-DATA-DTXSID0021969
ERPathway2016 ERPathway2016_862 4-Hydroxy-3-methoxybenzaldehyde 121-33-5 DTXSID0021969 ER Pathway Model, Agonist Model Score 0 Unitless COC1=C(O)C=CC(C=O)=C1 4-Hydroxy-3-methoxybenzaldehyde 121-33-5|4-Hydroxy-3-methoxybenzaldehyde|2-Methoxy-4-formylphenol|3-METHOXY-4-HYDROXY-BENZALDEHYDE|3-Methoxy-4-hydroxybenzaldehyde|3-Methoxy-4-hydroxybenzaldehyde (vanillin)|4-08-00-01763|4-Formyl-2-methoxyphenol|4-hydroxy 3-methoxybenzaldehyde|4-hydroxy-3-methoxy-benzaldehyde|4-Hydroxy-3-methoxy-Benzaldehyde-5-chlorovanillin|4-Hydroxy-3-methoxybenzaldehyde (ACD/Name 4.0)|4-Hydroxy-3-methoxybenzaldehyde (vanillin)|4-Hydroxy-5-methoxybenzaldehyde|4-Hydroxy-m-anisaldehyde|Benzaldehyde, 4-hydroxy-3-methoxy-|BRN 0472792|EINECS 204-465-2|FEMA No. 3107|Lioxin|m-Anisaldehyde, 4-hydroxy-|m-Methoxy-p-hydroxybenzaldehyde|Methyl-Protocatechualdehyde|Methylprotcatechuic aldehyde|Methylprotocatechuic aldehyde|NSC 15351|NSC 403658|NSC 48383|Oleo-Resins vanilla|Oleo-Resins vanilla-bean|Oleoresin vanilla|p-Hydroxy-m-methoxybenzaldehyde|p-Vanillin|Propenylguaethol|Protocatechualdehyde 3-methyl ether|Protocatechualdehyde, methyl-|Rhovanil|UNII-CHI530446X|Vanilin|Vanilla|Vanilla oleoresin|Vanilla oleoresin (vanilla SPP)|Vanillaldehyde|Vanillic aldehyde|Vanillin|Vanill|52447-63-9|8014-42-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021969 https://doi.org/10.22427/NTP-DATA-DTXSID0021969
ERPathway2016 ERPathway2016_862 4-Hydroxy-3-methoxybenzaldehyde 121-33-5 DTXSID0021969 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=C(O)C=CC(C=O)=C1 4-Hydroxy-3-methoxybenzaldehyde 121-33-5|4-Hydroxy-3-methoxybenzaldehyde|2-Methoxy-4-formylphenol|3-METHOXY-4-HYDROXY-BENZALDEHYDE|3-Methoxy-4-hydroxybenzaldehyde|3-Methoxy-4-hydroxybenzaldehyde (vanillin)|4-08-00-01763|4-Formyl-2-methoxyphenol|4-hydroxy 3-methoxybenzaldehyde|4-hydroxy-3-methoxy-benzaldehyde|4-Hydroxy-3-methoxy-Benzaldehyde-5-chlorovanillin|4-Hydroxy-3-methoxybenzaldehyde (ACD/Name 4.0)|4-Hydroxy-3-methoxybenzaldehyde (vanillin)|4-Hydroxy-5-methoxybenzaldehyde|4-Hydroxy-m-anisaldehyde|Benzaldehyde, 4-hydroxy-3-methoxy-|BRN 0472792|EINECS 204-465-2|FEMA No. 3107|Lioxin|m-Anisaldehyde, 4-hydroxy-|m-Methoxy-p-hydroxybenzaldehyde|Methyl-Protocatechualdehyde|Methylprotcatechuic aldehyde|Methylprotocatechuic aldehyde|NSC 15351|NSC 403658|NSC 48383|Oleo-Resins vanilla|Oleo-Resins vanilla-bean|Oleoresin vanilla|p-Hydroxy-m-methoxybenzaldehyde|p-Vanillin|Propenylguaethol|Protocatechualdehyde 3-methyl ether|Protocatechualdehyde, methyl-|Rhovanil|UNII-CHI530446X|Vanilin|Vanilla|Vanilla oleoresin|Vanilla oleoresin (vanilla SPP)|Vanillaldehyde|Vanillic aldehyde|Vanillin|Vanill|52447-63-9|8014-42-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021969 https://doi.org/10.22427/NTP-DATA-DTXSID0021969
ERPathway2016 ERPathway2016_862 4-Hydroxy-3-methoxybenzaldehyde 121-33-5 DTXSID0021969 ER Pathway Model, Agonist Call Inactive Unitless COC1=C(O)C=CC(C=O)=C1 4-Hydroxy-3-methoxybenzaldehyde 121-33-5|4-Hydroxy-3-methoxybenzaldehyde|2-Methoxy-4-formylphenol|3-METHOXY-4-HYDROXY-BENZALDEHYDE|3-Methoxy-4-hydroxybenzaldehyde|3-Methoxy-4-hydroxybenzaldehyde (vanillin)|4-08-00-01763|4-Formyl-2-methoxyphenol|4-hydroxy 3-methoxybenzaldehyde|4-hydroxy-3-methoxy-benzaldehyde|4-Hydroxy-3-methoxy-Benzaldehyde-5-chlorovanillin|4-Hydroxy-3-methoxybenzaldehyde (ACD/Name 4.0)|4-Hydroxy-3-methoxybenzaldehyde (vanillin)|4-Hydroxy-5-methoxybenzaldehyde|4-Hydroxy-m-anisaldehyde|Benzaldehyde, 4-hydroxy-3-methoxy-|BRN 0472792|EINECS 204-465-2|FEMA No. 3107|Lioxin|m-Anisaldehyde, 4-hydroxy-|m-Methoxy-p-hydroxybenzaldehyde|Methyl-Protocatechualdehyde|Methylprotcatechuic aldehyde|Methylprotocatechuic aldehyde|NSC 15351|NSC 403658|NSC 48383|Oleo-Resins vanilla|Oleo-Resins vanilla-bean|Oleoresin vanilla|p-Hydroxy-m-methoxybenzaldehyde|p-Vanillin|Propenylguaethol|Protocatechualdehyde 3-methyl ether|Protocatechualdehyde, methyl-|Rhovanil|UNII-CHI530446X|Vanilin|Vanilla|Vanilla oleoresin|Vanilla oleoresin (vanilla SPP)|Vanillaldehyde|Vanillic aldehyde|Vanillin|Vanill|52447-63-9|8014-42-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021969 https://doi.org/10.22427/NTP-DATA-DTXSID0021969
ERPathway2016 ERPathway2016_862 4-Hydroxy-3-methoxybenzaldehyde 121-33-5 DTXSID0021969 ER Pathway Model, Antagonist Call Inactive Unitless COC1=C(O)C=CC(C=O)=C1 4-Hydroxy-3-methoxybenzaldehyde 121-33-5|4-Hydroxy-3-methoxybenzaldehyde|2-Methoxy-4-formylphenol|3-METHOXY-4-HYDROXY-BENZALDEHYDE|3-Methoxy-4-hydroxybenzaldehyde|3-Methoxy-4-hydroxybenzaldehyde (vanillin)|4-08-00-01763|4-Formyl-2-methoxyphenol|4-hydroxy 3-methoxybenzaldehyde|4-hydroxy-3-methoxy-benzaldehyde|4-Hydroxy-3-methoxy-Benzaldehyde-5-chlorovanillin|4-Hydroxy-3-methoxybenzaldehyde (ACD/Name 4.0)|4-Hydroxy-3-methoxybenzaldehyde (vanillin)|4-Hydroxy-5-methoxybenzaldehyde|4-Hydroxy-m-anisaldehyde|Benzaldehyde, 4-hydroxy-3-methoxy-|BRN 0472792|EINECS 204-465-2|FEMA No. 3107|Lioxin|m-Anisaldehyde, 4-hydroxy-|m-Methoxy-p-hydroxybenzaldehyde|Methyl-Protocatechualdehyde|Methylprotcatechuic aldehyde|Methylprotocatechuic aldehyde|NSC 15351|NSC 403658|NSC 48383|Oleo-Resins vanilla|Oleo-Resins vanilla-bean|Oleoresin vanilla|p-Hydroxy-m-methoxybenzaldehyde|p-Vanillin|Propenylguaethol|Protocatechualdehyde 3-methyl ether|Protocatechualdehyde, methyl-|Rhovanil|UNII-CHI530446X|Vanilin|Vanilla|Vanilla oleoresin|Vanilla oleoresin (vanilla SPP)|Vanillaldehyde|Vanillic aldehyde|Vanillin|Vanill|52447-63-9|8014-42-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021969 https://doi.org/10.22427/NTP-DATA-DTXSID0021969
ARPathway2016 ARPathway2016_1828 4-Hydroxyacetophenone 99-93-4 DTXSID0029133 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C1=CC=C(O)C=C1 4-Hydroxyacetophenone 99-93-4|4-Hydroxyacetophenone|(4-Hydroxyphenyl)ethan-1-one|1-(4-Hydroxyphenyl)-1-ethanone|1-(4-Hydroxyphenyl)ethanone|4-Acetophenol|4-Acetylphenol|4-Hydroksyacetofenol|4-Hydroxyphenyl methyl ketone|4-Hydroxyphenylethanone|4'-hidroxiacetofenona|4'-Hydroxyacetophenon|4'-Hydroxyacetophenone|4'-Hydroxyacetophenone (Ethanone, 1-(4-hydroxyphenyl)-)|ACETOPHENONE, 4-HYDROXY-|Acetophenone, 4'-hydroxy-|Acetophenone, p-hydroxy-|EINECS 202-802-8|Ethanone, 1-(4-hydroxyphenyl)-|HYDROXYACETOPHENONE, PARA|Methyl 4-hydroxyphenyl ketone|Methyl p-hydroxyphenyl ketone|Methyl-p-hydroxyphenyl ketone|NSC 3698|p-Acetophenol|p-Acetylphenol|P-HYDROXY-ACETOPHENON|p-Hydroxyacetophenone|P-HYDROXYACETOPHENONE RECRYSTALLIZED|p-Hydroxyphenyl methyl ketone|p-Oxyacetophenone|para-Hydroxyacetophenone|Phenol, p-acetyl-|UNII-G1L3HT4CMH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029133
ARPathway2016 ARPathway2016_1828 4-Hydroxyacetophenone 99-93-4 DTXSID0029133 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)C1=CC=C(O)C=C1 4-Hydroxyacetophenone 99-93-4|4-Hydroxyacetophenone|(4-Hydroxyphenyl)ethan-1-one|1-(4-Hydroxyphenyl)-1-ethanone|1-(4-Hydroxyphenyl)ethanone|4-Acetophenol|4-Acetylphenol|4-Hydroksyacetofenol|4-Hydroxyphenyl methyl ketone|4-Hydroxyphenylethanone|4'-hidroxiacetofenona|4'-Hydroxyacetophenon|4'-Hydroxyacetophenone|4'-Hydroxyacetophenone (Ethanone, 1-(4-hydroxyphenyl)-)|ACETOPHENONE, 4-HYDROXY-|Acetophenone, 4'-hydroxy-|Acetophenone, p-hydroxy-|EINECS 202-802-8|Ethanone, 1-(4-hydroxyphenyl)-|HYDROXYACETOPHENONE, PARA|Methyl 4-hydroxyphenyl ketone|Methyl p-hydroxyphenyl ketone|Methyl-p-hydroxyphenyl ketone|NSC 3698|p-Acetophenol|p-Acetylphenol|P-HYDROXY-ACETOPHENON|p-Hydroxyacetophenone|P-HYDROXYACETOPHENONE RECRYSTALLIZED|p-Hydroxyphenyl methyl ketone|p-Oxyacetophenone|para-Hydroxyacetophenone|Phenol, p-acetyl-|UNII-G1L3HT4CMH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029133
ARPathway2016 ARPathway2016_1828 4-Hydroxyacetophenone 99-93-4 DTXSID0029133 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)C1=CC=C(O)C=C1 4-Hydroxyacetophenone 99-93-4|4-Hydroxyacetophenone|(4-Hydroxyphenyl)ethan-1-one|1-(4-Hydroxyphenyl)-1-ethanone|1-(4-Hydroxyphenyl)ethanone|4-Acetophenol|4-Acetylphenol|4-Hydroksyacetofenol|4-Hydroxyphenyl methyl ketone|4-Hydroxyphenylethanone|4'-hidroxiacetofenona|4'-Hydroxyacetophenon|4'-Hydroxyacetophenone|4'-Hydroxyacetophenone (Ethanone, 1-(4-hydroxyphenyl)-)|ACETOPHENONE, 4-HYDROXY-|Acetophenone, 4'-hydroxy-|Acetophenone, p-hydroxy-|EINECS 202-802-8|Ethanone, 1-(4-hydroxyphenyl)-|HYDROXYACETOPHENONE, PARA|Methyl 4-hydroxyphenyl ketone|Methyl p-hydroxyphenyl ketone|Methyl-p-hydroxyphenyl ketone|NSC 3698|p-Acetophenol|p-Acetylphenol|P-HYDROXY-ACETOPHENON|p-Hydroxyacetophenone|P-HYDROXYACETOPHENONE RECRYSTALLIZED|p-Hydroxyphenyl methyl ketone|p-Oxyacetophenone|para-Hydroxyacetophenone|Phenol, p-acetyl-|UNII-G1L3HT4CMH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029133
ARPathway2016 ARPathway2016_1828 4-Hydroxyacetophenone 99-93-4 DTXSID0029133 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)C1=CC=C(O)C=C1 4-Hydroxyacetophenone 99-93-4|4-Hydroxyacetophenone|(4-Hydroxyphenyl)ethan-1-one|1-(4-Hydroxyphenyl)-1-ethanone|1-(4-Hydroxyphenyl)ethanone|4-Acetophenol|4-Acetylphenol|4-Hydroksyacetofenol|4-Hydroxyphenyl methyl ketone|4-Hydroxyphenylethanone|4'-hidroxiacetofenona|4'-Hydroxyacetophenon|4'-Hydroxyacetophenone|4'-Hydroxyacetophenone (Ethanone, 1-(4-hydroxyphenyl)-)|ACETOPHENONE, 4-HYDROXY-|Acetophenone, 4'-hydroxy-|Acetophenone, p-hydroxy-|EINECS 202-802-8|Ethanone, 1-(4-hydroxyphenyl)-|HYDROXYACETOPHENONE, PARA|Methyl 4-hydroxyphenyl ketone|Methyl p-hydroxyphenyl ketone|Methyl-p-hydroxyphenyl ketone|NSC 3698|p-Acetophenol|p-Acetylphenol|P-HYDROXY-ACETOPHENON|p-Hydroxyacetophenone|P-HYDROXYACETOPHENONE RECRYSTALLIZED|p-Hydroxyphenyl methyl ketone|p-Oxyacetophenone|para-Hydroxyacetophenone|Phenol, p-acetyl-|UNII-G1L3HT4CMH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029133
ERPathway2016 ERPathway2016_902 4-Hydroxyacetophenone 99-93-4 DTXSID0029133 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)C1=CC=C(O)C=C1 4-Hydroxyacetophenone 99-93-4|4-Hydroxyacetophenone|(4-Hydroxyphenyl)ethan-1-one|1-(4-Hydroxyphenyl)-1-ethanone|1-(4-Hydroxyphenyl)ethanone|4-Acetophenol|4-Acetylphenol|4-Hydroksyacetofenol|4-Hydroxyphenyl methyl ketone|4-Hydroxyphenylethanone|4'-hidroxiacetofenona|4'-Hydroxyacetophenon|4'-Hydroxyacetophenone|4'-Hydroxyacetophenone (Ethanone, 1-(4-hydroxyphenyl)-)|ACETOPHENONE, 4-HYDROXY-|Acetophenone, 4'-hydroxy-|Acetophenone, p-hydroxy-|EINECS 202-802-8|Ethanone, 1-(4-hydroxyphenyl)-|HYDROXYACETOPHENONE, PARA|Methyl 4-hydroxyphenyl ketone|Methyl p-hydroxyphenyl ketone|Methyl-p-hydroxyphenyl ketone|NSC 3698|p-Acetophenol|p-Acetylphenol|P-HYDROXY-ACETOPHENON|p-Hydroxyacetophenone|P-HYDROXYACETOPHENONE RECRYSTALLIZED|p-Hydroxyphenyl methyl ketone|p-Oxyacetophenone|para-Hydroxyacetophenone|Phenol, p-acetyl-|UNII-G1L3HT4CMH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029133
ERPathway2016 ERPathway2016_902 4-Hydroxyacetophenone 99-93-4 DTXSID0029133 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C1=CC=C(O)C=C1 4-Hydroxyacetophenone 99-93-4|4-Hydroxyacetophenone|(4-Hydroxyphenyl)ethan-1-one|1-(4-Hydroxyphenyl)-1-ethanone|1-(4-Hydroxyphenyl)ethanone|4-Acetophenol|4-Acetylphenol|4-Hydroksyacetofenol|4-Hydroxyphenyl methyl ketone|4-Hydroxyphenylethanone|4'-hidroxiacetofenona|4'-Hydroxyacetophenon|4'-Hydroxyacetophenone|4'-Hydroxyacetophenone (Ethanone, 1-(4-hydroxyphenyl)-)|ACETOPHENONE, 4-HYDROXY-|Acetophenone, 4'-hydroxy-|Acetophenone, p-hydroxy-|EINECS 202-802-8|Ethanone, 1-(4-hydroxyphenyl)-|HYDROXYACETOPHENONE, PARA|Methyl 4-hydroxyphenyl ketone|Methyl p-hydroxyphenyl ketone|Methyl-p-hydroxyphenyl ketone|NSC 3698|p-Acetophenol|p-Acetylphenol|P-HYDROXY-ACETOPHENON|p-Hydroxyacetophenone|P-HYDROXYACETOPHENONE RECRYSTALLIZED|p-Hydroxyphenyl methyl ketone|p-Oxyacetophenone|para-Hydroxyacetophenone|Phenol, p-acetyl-|UNII-G1L3HT4CMH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029133
ERPathway2016 ERPathway2016_902 4-Hydroxyacetophenone 99-93-4 DTXSID0029133 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)C1=CC=C(O)C=C1 4-Hydroxyacetophenone 99-93-4|4-Hydroxyacetophenone|(4-Hydroxyphenyl)ethan-1-one|1-(4-Hydroxyphenyl)-1-ethanone|1-(4-Hydroxyphenyl)ethanone|4-Acetophenol|4-Acetylphenol|4-Hydroksyacetofenol|4-Hydroxyphenyl methyl ketone|4-Hydroxyphenylethanone|4'-hidroxiacetofenona|4'-Hydroxyacetophenon|4'-Hydroxyacetophenone|4'-Hydroxyacetophenone (Ethanone, 1-(4-hydroxyphenyl)-)|ACETOPHENONE, 4-HYDROXY-|Acetophenone, 4'-hydroxy-|Acetophenone, p-hydroxy-|EINECS 202-802-8|Ethanone, 1-(4-hydroxyphenyl)-|HYDROXYACETOPHENONE, PARA|Methyl 4-hydroxyphenyl ketone|Methyl p-hydroxyphenyl ketone|Methyl-p-hydroxyphenyl ketone|NSC 3698|p-Acetophenol|p-Acetylphenol|P-HYDROXY-ACETOPHENON|p-Hydroxyacetophenone|P-HYDROXYACETOPHENONE RECRYSTALLIZED|p-Hydroxyphenyl methyl ketone|p-Oxyacetophenone|para-Hydroxyacetophenone|Phenol, p-acetyl-|UNII-G1L3HT4CMH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029133
ERPathway2016 ERPathway2016_902 4-Hydroxyacetophenone 99-93-4 DTXSID0029133 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)C1=CC=C(O)C=C1 4-Hydroxyacetophenone 99-93-4|4-Hydroxyacetophenone|(4-Hydroxyphenyl)ethan-1-one|1-(4-Hydroxyphenyl)-1-ethanone|1-(4-Hydroxyphenyl)ethanone|4-Acetophenol|4-Acetylphenol|4-Hydroksyacetofenol|4-Hydroxyphenyl methyl ketone|4-Hydroxyphenylethanone|4'-hidroxiacetofenona|4'-Hydroxyacetophenon|4'-Hydroxyacetophenone|4'-Hydroxyacetophenone (Ethanone, 1-(4-hydroxyphenyl)-)|ACETOPHENONE, 4-HYDROXY-|Acetophenone, 4'-hydroxy-|Acetophenone, p-hydroxy-|EINECS 202-802-8|Ethanone, 1-(4-hydroxyphenyl)-|HYDROXYACETOPHENONE, PARA|Methyl 4-hydroxyphenyl ketone|Methyl p-hydroxyphenyl ketone|Methyl-p-hydroxyphenyl ketone|NSC 3698|p-Acetophenol|p-Acetylphenol|P-HYDROXY-ACETOPHENON|p-Hydroxyacetophenone|P-HYDROXYACETOPHENONE RECRYSTALLIZED|p-Hydroxyphenyl methyl ketone|p-Oxyacetophenone|para-Hydroxyacetophenone|Phenol, p-acetyl-|UNII-G1L3HT4CMH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029133
ARPathway2016 ARPathway2016_1829 4-Hydroxybenzoic acid 99-96-7 DTXSID3026647 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC=C(O)C=C1 4-Hydroxybenzoic acid 99-96-7|4-Hydroxybenzoic acid|4-Carboxyphenol|4-Hydroxy-benzoate|4-Hydroxy-benzoesaeure|4-Hydroxy-benzoic acid|4-Hydroxybenzoate|4-HYDROXYBENZOESAEURE|4-Hydroxybenzoesaure|4-HYDROXYBENZOIC/PHBS/PHENOL-4-CARBOXYLIC ACID|Acide 4-hydroxybenzoique|acido 4-hidroxibenzoico|Acido p-idrossibenzoico|Benzoic acid, 4-hydroxy-|Benzoic acid, p-hydroxy-|EINECS 202-804-9|Kyselina 4-hydroxybenzoova|NSC 4961|p-Carboxyphenol|p-Hydroxy-Benzoate|p-Hydroxy-Benzoic acid|p-Hydroxybenzoate|p-Hydroxybenzoic acid|p-Oxybenzoesaure|p-Salicylate|p-Salicylic acid|Paraben-acid|UNII-JG8Z55Y12H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026647
ARPathway2016 ARPathway2016_1829 4-Hydroxybenzoic acid 99-96-7 DTXSID3026647 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC=C(O)C=C1 4-Hydroxybenzoic acid 99-96-7|4-Hydroxybenzoic acid|4-Carboxyphenol|4-Hydroxy-benzoate|4-Hydroxy-benzoesaeure|4-Hydroxy-benzoic acid|4-Hydroxybenzoate|4-HYDROXYBENZOESAEURE|4-Hydroxybenzoesaure|4-HYDROXYBENZOIC/PHBS/PHENOL-4-CARBOXYLIC ACID|Acide 4-hydroxybenzoique|acido 4-hidroxibenzoico|Acido p-idrossibenzoico|Benzoic acid, 4-hydroxy-|Benzoic acid, p-hydroxy-|EINECS 202-804-9|Kyselina 4-hydroxybenzoova|NSC 4961|p-Carboxyphenol|p-Hydroxy-Benzoate|p-Hydroxy-Benzoic acid|p-Hydroxybenzoate|p-Hydroxybenzoic acid|p-Oxybenzoesaure|p-Salicylate|p-Salicylic acid|Paraben-acid|UNII-JG8Z55Y12H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026647
ARPathway2016 ARPathway2016_1829 4-Hydroxybenzoic acid 99-96-7 DTXSID3026647 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC=C(O)C=C1 4-Hydroxybenzoic acid 99-96-7|4-Hydroxybenzoic acid|4-Carboxyphenol|4-Hydroxy-benzoate|4-Hydroxy-benzoesaeure|4-Hydroxy-benzoic acid|4-Hydroxybenzoate|4-HYDROXYBENZOESAEURE|4-Hydroxybenzoesaure|4-HYDROXYBENZOIC/PHBS/PHENOL-4-CARBOXYLIC ACID|Acide 4-hydroxybenzoique|acido 4-hidroxibenzoico|Acido p-idrossibenzoico|Benzoic acid, 4-hydroxy-|Benzoic acid, p-hydroxy-|EINECS 202-804-9|Kyselina 4-hydroxybenzoova|NSC 4961|p-Carboxyphenol|p-Hydroxy-Benzoate|p-Hydroxy-Benzoic acid|p-Hydroxybenzoate|p-Hydroxybenzoic acid|p-Oxybenzoesaure|p-Salicylate|p-Salicylic acid|Paraben-acid|UNII-JG8Z55Y12H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026647
ARPathway2016 ARPathway2016_1829 4-Hydroxybenzoic acid 99-96-7 DTXSID3026647 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC=C(O)C=C1 4-Hydroxybenzoic acid 99-96-7|4-Hydroxybenzoic acid|4-Carboxyphenol|4-Hydroxy-benzoate|4-Hydroxy-benzoesaeure|4-Hydroxy-benzoic acid|4-Hydroxybenzoate|4-HYDROXYBENZOESAEURE|4-Hydroxybenzoesaure|4-HYDROXYBENZOIC/PHBS/PHENOL-4-CARBOXYLIC ACID|Acide 4-hydroxybenzoique|acido 4-hidroxibenzoico|Acido p-idrossibenzoico|Benzoic acid, 4-hydroxy-|Benzoic acid, p-hydroxy-|EINECS 202-804-9|Kyselina 4-hydroxybenzoova|NSC 4961|p-Carboxyphenol|p-Hydroxy-Benzoate|p-Hydroxy-Benzoic acid|p-Hydroxybenzoate|p-Hydroxybenzoic acid|p-Oxybenzoesaure|p-Salicylate|p-Salicylic acid|Paraben-acid|UNII-JG8Z55Y12H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026647
ERPathway2016 ERPathway2016_930 4-Hydroxybenzoic acid 99-96-7 DTXSID3026647 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC=C(O)C=C1 4-Hydroxybenzoic acid 99-96-7|4-Hydroxybenzoic acid|4-Carboxyphenol|4-Hydroxy-benzoate|4-Hydroxy-benzoesaeure|4-Hydroxy-benzoic acid|4-Hydroxybenzoate|4-HYDROXYBENZOESAEURE|4-Hydroxybenzoesaure|4-HYDROXYBENZOIC/PHBS/PHENOL-4-CARBOXYLIC ACID|Acide 4-hydroxybenzoique|acido 4-hidroxibenzoico|Acido p-idrossibenzoico|Benzoic acid, 4-hydroxy-|Benzoic acid, p-hydroxy-|EINECS 202-804-9|Kyselina 4-hydroxybenzoova|NSC 4961|p-Carboxyphenol|p-Hydroxy-Benzoate|p-Hydroxy-Benzoic acid|p-Hydroxybenzoate|p-Hydroxybenzoic acid|p-Oxybenzoesaure|p-Salicylate|p-Salicylic acid|Paraben-acid|UNII-JG8Z55Y12H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026647
ERPathway2016 ERPathway2016_930 4-Hydroxybenzoic acid 99-96-7 DTXSID3026647 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC=C(O)C=C1 4-Hydroxybenzoic acid 99-96-7|4-Hydroxybenzoic acid|4-Carboxyphenol|4-Hydroxy-benzoate|4-Hydroxy-benzoesaeure|4-Hydroxy-benzoic acid|4-Hydroxybenzoate|4-HYDROXYBENZOESAEURE|4-Hydroxybenzoesaure|4-HYDROXYBENZOIC/PHBS/PHENOL-4-CARBOXYLIC ACID|Acide 4-hydroxybenzoique|acido 4-hidroxibenzoico|Acido p-idrossibenzoico|Benzoic acid, 4-hydroxy-|Benzoic acid, p-hydroxy-|EINECS 202-804-9|Kyselina 4-hydroxybenzoova|NSC 4961|p-Carboxyphenol|p-Hydroxy-Benzoate|p-Hydroxy-Benzoic acid|p-Hydroxybenzoate|p-Hydroxybenzoic acid|p-Oxybenzoesaure|p-Salicylate|p-Salicylic acid|Paraben-acid|UNII-JG8Z55Y12H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026647
ERPathway2016 ERPathway2016_930 4-Hydroxybenzoic acid 99-96-7 DTXSID3026647 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC=C(O)C=C1 4-Hydroxybenzoic acid 99-96-7|4-Hydroxybenzoic acid|4-Carboxyphenol|4-Hydroxy-benzoate|4-Hydroxy-benzoesaeure|4-Hydroxy-benzoic acid|4-Hydroxybenzoate|4-HYDROXYBENZOESAEURE|4-Hydroxybenzoesaure|4-HYDROXYBENZOIC/PHBS/PHENOL-4-CARBOXYLIC ACID|Acide 4-hydroxybenzoique|acido 4-hidroxibenzoico|Acido p-idrossibenzoico|Benzoic acid, 4-hydroxy-|Benzoic acid, p-hydroxy-|EINECS 202-804-9|Kyselina 4-hydroxybenzoova|NSC 4961|p-Carboxyphenol|p-Hydroxy-Benzoate|p-Hydroxy-Benzoic acid|p-Hydroxybenzoate|p-Hydroxybenzoic acid|p-Oxybenzoesaure|p-Salicylate|p-Salicylic acid|Paraben-acid|UNII-JG8Z55Y12H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026647
ERPathway2016 ERPathway2016_930 4-Hydroxybenzoic acid 99-96-7 DTXSID3026647 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC=C(O)C=C1 4-Hydroxybenzoic acid 99-96-7|4-Hydroxybenzoic acid|4-Carboxyphenol|4-Hydroxy-benzoate|4-Hydroxy-benzoesaeure|4-Hydroxy-benzoic acid|4-Hydroxybenzoate|4-HYDROXYBENZOESAEURE|4-Hydroxybenzoesaure|4-HYDROXYBENZOIC/PHBS/PHENOL-4-CARBOXYLIC ACID|Acide 4-hydroxybenzoique|acido 4-hidroxibenzoico|Acido p-idrossibenzoico|Benzoic acid, 4-hydroxy-|Benzoic acid, p-hydroxy-|EINECS 202-804-9|Kyselina 4-hydroxybenzoova|NSC 4961|p-Carboxyphenol|p-Hydroxy-Benzoate|p-Hydroxy-Benzoic acid|p-Hydroxybenzoate|p-Hydroxybenzoic acid|p-Oxybenzoesaure|p-Salicylate|p-Salicylic acid|Paraben-acid|UNII-JG8Z55Y12H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026647
ARPathway2016 ARPathway2016_251 4-Hydroxytamoxifen 68392-35-8 DTXSID3037094 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 19.4811390491126 uM CCC(=C(C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 4-Hydroxytamoxifen 68392-35-8|4-Hydroxytamoxifen|4-(1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenol|4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-enyl)phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenol|4-OHT|Afimoxifene|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-|TamoGel|UNII-17197F0KYM|71880-76-7|76702-42-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037094
ARPathway2016 ARPathway2016_251 4-Hydroxytamoxifen 68392-35-8 DTXSID3037094 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 17.13070898 uM CCC(=C(C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 4-Hydroxytamoxifen 68392-35-8|4-Hydroxytamoxifen|4-(1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenol|4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-enyl)phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenol|4-OHT|Afimoxifene|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-|TamoGel|UNII-17197F0KYM|71880-76-7|76702-42-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037094
ARPathway2016 ARPathway2016_251 4-Hydroxytamoxifen 68392-35-8 DTXSID3037094 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.314 Unitless CCC(=C(C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 4-Hydroxytamoxifen 68392-35-8|4-Hydroxytamoxifen|4-(1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenol|4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-enyl)phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenol|4-OHT|Afimoxifene|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-|TamoGel|UNII-17197F0KYM|71880-76-7|76702-42-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037094
ARPathway2016 ARPathway2016_251 4-Hydroxytamoxifen 68392-35-8 DTXSID3037094 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCC(=C(C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 4-Hydroxytamoxifen 68392-35-8|4-Hydroxytamoxifen|4-(1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenol|4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-enyl)phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenol|4-OHT|Afimoxifene|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-|TamoGel|UNII-17197F0KYM|71880-76-7|76702-42-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037094
ARPathway2016 ARPathway2016_251 4-Hydroxytamoxifen 68392-35-8 DTXSID3037094 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCC(=C(C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 4-Hydroxytamoxifen 68392-35-8|4-Hydroxytamoxifen|4-(1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenol|4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-enyl)phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenol|4-OHT|Afimoxifene|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-|TamoGel|UNII-17197F0KYM|71880-76-7|76702-42-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037094
ARPathway2016 ARPathway2016_251 4-Hydroxytamoxifen 68392-35-8 DTXSID3037094 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCC(=C(C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 4-Hydroxytamoxifen 68392-35-8|4-Hydroxytamoxifen|4-(1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenol|4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-enyl)phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenol|4-OHT|Afimoxifene|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-|TamoGel|UNII-17197F0KYM|71880-76-7|76702-42-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037094
ERPathway2016 ERPathway2016_21 4-Hydroxytamoxifen 68392-35-8 DTXSID3037094 Antagonist ER Pathway Model, Agonist AC50 0.0401228498560221 uM CCC(=C(C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 4-Hydroxytamoxifen 68392-35-8|4-Hydroxytamoxifen|4-(1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenol|4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-enyl)phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenol|4-OHT|Afimoxifene|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-|TamoGel|UNII-17197F0KYM|71880-76-7|76702-42-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037094
ERPathway2016 ERPathway2016_21 4-Hydroxytamoxifen 68392-35-8 DTXSID3037094 Antagonist ER Pathway Model, Agonist ACC 0.00692742933090813 uM CCC(=C(C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 4-Hydroxytamoxifen 68392-35-8|4-Hydroxytamoxifen|4-(1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenol|4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-enyl)phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenol|4-OHT|Afimoxifene|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-|TamoGel|UNII-17197F0KYM|71880-76-7|76702-42-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037094
ERPathway2016 ERPathway2016_21 4-Hydroxytamoxifen 68392-35-8 DTXSID3037094 Antagonist ER Pathway Model, Agonist Model Score 0.0118 Unitless CCC(=C(C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 4-Hydroxytamoxifen 68392-35-8|4-Hydroxytamoxifen|4-(1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenol|4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-enyl)phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenol|4-OHT|Afimoxifene|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-|TamoGel|UNII-17197F0KYM|71880-76-7|76702-42-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037094
ERPathway2016 ERPathway2016_21 4-Hydroxytamoxifen 68392-35-8 DTXSID3037094 Antagonist ER Pathway Model, Antagonist Model Score 0.686 Unitless CCC(=C(C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 4-Hydroxytamoxifen 68392-35-8|4-Hydroxytamoxifen|4-(1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenol|4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-enyl)phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenol|4-OHT|Afimoxifene|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-|TamoGel|UNII-17197F0KYM|71880-76-7|76702-42-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037094
ERPathway2016 ERPathway2016_21 4-Hydroxytamoxifen 68392-35-8 DTXSID3037094 Antagonist ER Pathway Model, Agonist Call Active Unitless CCC(=C(C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 4-Hydroxytamoxifen 68392-35-8|4-Hydroxytamoxifen|4-(1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenol|4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-enyl)phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenol|4-OHT|Afimoxifene|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-|TamoGel|UNII-17197F0KYM|71880-76-7|76702-42-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037094
ERPathway2016 ERPathway2016_21 4-Hydroxytamoxifen 68392-35-8 DTXSID3037094 Antagonist ER Pathway Model, Antagonist Call Inactive Unitless CCC(=C(C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 4-Hydroxytamoxifen 68392-35-8|4-Hydroxytamoxifen|4-(1-{4-[2-(Dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenol|4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-enyl)phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol|4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenol|4-OHT|Afimoxifene|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-|Phenol, 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]-|TamoGel|UNII-17197F0KYM|71880-76-7|76702-42-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037094
ARPathway2016 ARPathway2016_1827 4-Isopropylphenol 99-89-8 DTXSID5042299 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC=C(O)C=C1 4-Isopropylphenol 99-89-8|4-Isopropylphenol|(p-Isopropylphenol)|1-Hydroxy-4-isopropylbenzene|4-(1-Methylethyl)phenol|4-06-00-03215|Australol|BRN 1363564|EINECS 202-798-8|NSC 1888|p-Cumenol|p-isopropilfenol|p-Isopropylphenol|Phenol, 4-(1-methylethyl)-|Phenol, p-isopropyl-|UNII-9F59JOO816 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042299
ARPathway2016 ARPathway2016_1827 4-Isopropylphenol 99-89-8 DTXSID5042299 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CC=C(O)C=C1 4-Isopropylphenol 99-89-8|4-Isopropylphenol|(p-Isopropylphenol)|1-Hydroxy-4-isopropylbenzene|4-(1-Methylethyl)phenol|4-06-00-03215|Australol|BRN 1363564|EINECS 202-798-8|NSC 1888|p-Cumenol|p-isopropilfenol|p-Isopropylphenol|Phenol, 4-(1-methylethyl)-|Phenol, p-isopropyl-|UNII-9F59JOO816 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042299
ARPathway2016 ARPathway2016_1827 4-Isopropylphenol 99-89-8 DTXSID5042299 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC=C(O)C=C1 4-Isopropylphenol 99-89-8|4-Isopropylphenol|(p-Isopropylphenol)|1-Hydroxy-4-isopropylbenzene|4-(1-Methylethyl)phenol|4-06-00-03215|Australol|BRN 1363564|EINECS 202-798-8|NSC 1888|p-Cumenol|p-isopropilfenol|p-Isopropylphenol|Phenol, 4-(1-methylethyl)-|Phenol, p-isopropyl-|UNII-9F59JOO816 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042299
ARPathway2016 ARPathway2016_1827 4-Isopropylphenol 99-89-8 DTXSID5042299 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC=C(O)C=C1 4-Isopropylphenol 99-89-8|4-Isopropylphenol|(p-Isopropylphenol)|1-Hydroxy-4-isopropylbenzene|4-(1-Methylethyl)phenol|4-06-00-03215|Australol|BRN 1363564|EINECS 202-798-8|NSC 1888|p-Cumenol|p-isopropilfenol|p-Isopropylphenol|Phenol, 4-(1-methylethyl)-|Phenol, p-isopropyl-|UNII-9F59JOO816 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042299
ERPathway2016 ERPathway2016_334 4-Isopropylphenol 99-89-8 DTXSID5042299 ER Pathway Model, Antagonist AC50 48.9229407558269 uM CC(C)C1=CC=C(O)C=C1 4-Isopropylphenol 99-89-8|4-Isopropylphenol|(p-Isopropylphenol)|1-Hydroxy-4-isopropylbenzene|4-(1-Methylethyl)phenol|4-06-00-03215|Australol|BRN 1363564|EINECS 202-798-8|NSC 1888|p-Cumenol|p-isopropilfenol|p-Isopropylphenol|Phenol, 4-(1-methylethyl)-|Phenol, p-isopropyl-|UNII-9F59JOO816 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042299
ERPathway2016 ERPathway2016_334 4-Isopropylphenol 99-89-8 DTXSID5042299 ER Pathway Model, Antagonist ACC 37.1585717827295 uM CC(C)C1=CC=C(O)C=C1 4-Isopropylphenol 99-89-8|4-Isopropylphenol|(p-Isopropylphenol)|1-Hydroxy-4-isopropylbenzene|4-(1-Methylethyl)phenol|4-06-00-03215|Australol|BRN 1363564|EINECS 202-798-8|NSC 1888|p-Cumenol|p-isopropilfenol|p-Isopropylphenol|Phenol, 4-(1-methylethyl)-|Phenol, p-isopropyl-|UNII-9F59JOO816 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042299
ERPathway2016 ERPathway2016_334 4-Isopropylphenol 99-89-8 DTXSID5042299 ER Pathway Model, Agonist Model Score 0.021 Unitless CC(C)C1=CC=C(O)C=C1 4-Isopropylphenol 99-89-8|4-Isopropylphenol|(p-Isopropylphenol)|1-Hydroxy-4-isopropylbenzene|4-(1-Methylethyl)phenol|4-06-00-03215|Australol|BRN 1363564|EINECS 202-798-8|NSC 1888|p-Cumenol|p-isopropilfenol|p-Isopropylphenol|Phenol, 4-(1-methylethyl)-|Phenol, p-isopropyl-|UNII-9F59JOO816 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042299
ERPathway2016 ERPathway2016_334 4-Isopropylphenol 99-89-8 DTXSID5042299 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC=C(O)C=C1 4-Isopropylphenol 99-89-8|4-Isopropylphenol|(p-Isopropylphenol)|1-Hydroxy-4-isopropylbenzene|4-(1-Methylethyl)phenol|4-06-00-03215|Australol|BRN 1363564|EINECS 202-798-8|NSC 1888|p-Cumenol|p-isopropilfenol|p-Isopropylphenol|Phenol, 4-(1-methylethyl)-|Phenol, p-isopropyl-|UNII-9F59JOO816 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042299
ERPathway2016 ERPathway2016_334 4-Isopropylphenol 99-89-8 DTXSID5042299 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC=C(O)C=C1 4-Isopropylphenol 99-89-8|4-Isopropylphenol|(p-Isopropylphenol)|1-Hydroxy-4-isopropylbenzene|4-(1-Methylethyl)phenol|4-06-00-03215|Australol|BRN 1363564|EINECS 202-798-8|NSC 1888|p-Cumenol|p-isopropilfenol|p-Isopropylphenol|Phenol, 4-(1-methylethyl)-|Phenol, p-isopropyl-|UNII-9F59JOO816 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042299
ERPathway2016 ERPathway2016_334 4-Isopropylphenol 99-89-8 DTXSID5042299 ER Pathway Model, Antagonist Call Active Unitless CC(C)C1=CC=C(O)C=C1 4-Isopropylphenol 99-89-8|4-Isopropylphenol|(p-Isopropylphenol)|1-Hydroxy-4-isopropylbenzene|4-(1-Methylethyl)phenol|4-06-00-03215|Australol|BRN 1363564|EINECS 202-798-8|NSC 1888|p-Cumenol|p-isopropilfenol|p-Isopropylphenol|Phenol, 4-(1-methylethyl)-|Phenol, p-isopropyl-|UNII-9F59JOO816 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042299
ARPathway2016 ARPathway2016_712 4-Methoxybenzaldehyde 123-11-5 DTXSID2026997 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(C=O)C=C1 4-Methoxybenzaldehyde 123-11-5|4-Methoxybenzaldehyde|4-Anisaldehyde|anisaldehido|Anisaldehyd|Anisaldehyde|ANISIC ALDEHYDE|Aubepine|Benzaldehyde, 4-methoxy-|Caswell No. 051E|Crategine|EINECS 204-602-6|FEMA No. 2670|Formylanisole, p-|NSC 5590|P-ANISALDEHYD|p-Anisaldehyde|p-Anisic aldehyde|p-Formylanisole|p-Methoxybenzaldehyde|UNII-9PA5V6656V|26249-15-0|68894-36-0|721942-53-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026997 https://doi.org/10.22427/NTP-DATA-DTXSID2026997
ARPathway2016 ARPathway2016_712 4-Methoxybenzaldehyde 123-11-5 DTXSID2026997 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(C=O)C=C1 4-Methoxybenzaldehyde 123-11-5|4-Methoxybenzaldehyde|4-Anisaldehyde|anisaldehido|Anisaldehyd|Anisaldehyde|ANISIC ALDEHYDE|Aubepine|Benzaldehyde, 4-methoxy-|Caswell No. 051E|Crategine|EINECS 204-602-6|FEMA No. 2670|Formylanisole, p-|NSC 5590|P-ANISALDEHYD|p-Anisaldehyde|p-Anisic aldehyde|p-Formylanisole|p-Methoxybenzaldehyde|UNII-9PA5V6656V|26249-15-0|68894-36-0|721942-53-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026997 https://doi.org/10.22427/NTP-DATA-DTXSID2026997
ARPathway2016 ARPathway2016_712 4-Methoxybenzaldehyde 123-11-5 DTXSID2026997 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(C=O)C=C1 4-Methoxybenzaldehyde 123-11-5|4-Methoxybenzaldehyde|4-Anisaldehyde|anisaldehido|Anisaldehyd|Anisaldehyde|ANISIC ALDEHYDE|Aubepine|Benzaldehyde, 4-methoxy-|Caswell No. 051E|Crategine|EINECS 204-602-6|FEMA No. 2670|Formylanisole, p-|NSC 5590|P-ANISALDEHYD|p-Anisaldehyde|p-Anisic aldehyde|p-Formylanisole|p-Methoxybenzaldehyde|UNII-9PA5V6656V|26249-15-0|68894-36-0|721942-53-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026997 https://doi.org/10.22427/NTP-DATA-DTXSID2026997
ARPathway2016 ARPathway2016_712 4-Methoxybenzaldehyde 123-11-5 DTXSID2026997 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(C=O)C=C1 4-Methoxybenzaldehyde 123-11-5|4-Methoxybenzaldehyde|4-Anisaldehyde|anisaldehido|Anisaldehyd|Anisaldehyde|ANISIC ALDEHYDE|Aubepine|Benzaldehyde, 4-methoxy-|Caswell No. 051E|Crategine|EINECS 204-602-6|FEMA No. 2670|Formylanisole, p-|NSC 5590|P-ANISALDEHYD|p-Anisaldehyde|p-Anisic aldehyde|p-Formylanisole|p-Methoxybenzaldehyde|UNII-9PA5V6656V|26249-15-0|68894-36-0|721942-53-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026997 https://doi.org/10.22427/NTP-DATA-DTXSID2026997
ERPathway2016 ERPathway2016_1230 4-Methoxybenzaldehyde 123-11-5 DTXSID2026997 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(C=O)C=C1 4-Methoxybenzaldehyde 123-11-5|4-Methoxybenzaldehyde|4-Anisaldehyde|anisaldehido|Anisaldehyd|Anisaldehyde|ANISIC ALDEHYDE|Aubepine|Benzaldehyde, 4-methoxy-|Caswell No. 051E|Crategine|EINECS 204-602-6|FEMA No. 2670|Formylanisole, p-|NSC 5590|P-ANISALDEHYD|p-Anisaldehyde|p-Anisic aldehyde|p-Formylanisole|p-Methoxybenzaldehyde|UNII-9PA5V6656V|26249-15-0|68894-36-0|721942-53-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026997 https://doi.org/10.22427/NTP-DATA-DTXSID2026997
ERPathway2016 ERPathway2016_1230 4-Methoxybenzaldehyde 123-11-5 DTXSID2026997 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(C=O)C=C1 4-Methoxybenzaldehyde 123-11-5|4-Methoxybenzaldehyde|4-Anisaldehyde|anisaldehido|Anisaldehyd|Anisaldehyde|ANISIC ALDEHYDE|Aubepine|Benzaldehyde, 4-methoxy-|Caswell No. 051E|Crategine|EINECS 204-602-6|FEMA No. 2670|Formylanisole, p-|NSC 5590|P-ANISALDEHYD|p-Anisaldehyde|p-Anisic aldehyde|p-Formylanisole|p-Methoxybenzaldehyde|UNII-9PA5V6656V|26249-15-0|68894-36-0|721942-53-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026997 https://doi.org/10.22427/NTP-DATA-DTXSID2026997
ERPathway2016 ERPathway2016_1230 4-Methoxybenzaldehyde 123-11-5 DTXSID2026997 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(C=O)C=C1 4-Methoxybenzaldehyde 123-11-5|4-Methoxybenzaldehyde|4-Anisaldehyde|anisaldehido|Anisaldehyd|Anisaldehyde|ANISIC ALDEHYDE|Aubepine|Benzaldehyde, 4-methoxy-|Caswell No. 051E|Crategine|EINECS 204-602-6|FEMA No. 2670|Formylanisole, p-|NSC 5590|P-ANISALDEHYD|p-Anisaldehyde|p-Anisic aldehyde|p-Formylanisole|p-Methoxybenzaldehyde|UNII-9PA5V6656V|26249-15-0|68894-36-0|721942-53-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026997 https://doi.org/10.22427/NTP-DATA-DTXSID2026997
ERPathway2016 ERPathway2016_1230 4-Methoxybenzaldehyde 123-11-5 DTXSID2026997 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(C=O)C=C1 4-Methoxybenzaldehyde 123-11-5|4-Methoxybenzaldehyde|4-Anisaldehyde|anisaldehido|Anisaldehyd|Anisaldehyde|ANISIC ALDEHYDE|Aubepine|Benzaldehyde, 4-methoxy-|Caswell No. 051E|Crategine|EINECS 204-602-6|FEMA No. 2670|Formylanisole, p-|NSC 5590|P-ANISALDEHYD|p-Anisaldehyde|p-Anisic aldehyde|p-Formylanisole|p-Methoxybenzaldehyde|UNII-9PA5V6656V|26249-15-0|68894-36-0|721942-53-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026997 https://doi.org/10.22427/NTP-DATA-DTXSID2026997
ARPathway2016 ARPathway2016_882 4-Methoxyphenol 150-76-5 DTXSID4020828 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(O)C=C1 4-Methoxyphenol 150-76-5|4-Methoxyphenol|1-Hydroxy-4-methoxybenzene|4-Hydroxyanisole|BENZENE, 1-METHOXY-4-HYDROXY-|EINECS 205-769-8|HYDROCHINON-MONOMETHYLAETHER|Hydroquinone methyl ether|Hydroquinone monomethyl ether|Leucobasal|Leucodine B|Mechinolo|Mechinolum|Mequinol|Mequinolum|Mono methyl ether hydroquinone|Monomethyl ether hydroquinone|Novo-Dermoquinona|NSC 4960|p-Guaiacol|p-Hydroxyanisol|p-Hydroxyanisole|p-Hydroxymethoxybenzene|p-Methoxyphenol|Phenol, 4-methoxy-|Phenol, p-methoxy-|UNII-6HT8U7K3AM https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020828 https://doi.org/10.22427/NTP-DATA-DTXSID4020828
ARPathway2016 ARPathway2016_882 4-Methoxyphenol 150-76-5 DTXSID4020828 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(O)C=C1 4-Methoxyphenol 150-76-5|4-Methoxyphenol|1-Hydroxy-4-methoxybenzene|4-Hydroxyanisole|BENZENE, 1-METHOXY-4-HYDROXY-|EINECS 205-769-8|HYDROCHINON-MONOMETHYLAETHER|Hydroquinone methyl ether|Hydroquinone monomethyl ether|Leucobasal|Leucodine B|Mechinolo|Mechinolum|Mequinol|Mequinolum|Mono methyl ether hydroquinone|Monomethyl ether hydroquinone|Novo-Dermoquinona|NSC 4960|p-Guaiacol|p-Hydroxyanisol|p-Hydroxyanisole|p-Hydroxymethoxybenzene|p-Methoxyphenol|Phenol, 4-methoxy-|Phenol, p-methoxy-|UNII-6HT8U7K3AM https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020828 https://doi.org/10.22427/NTP-DATA-DTXSID4020828
ARPathway2016 ARPathway2016_882 4-Methoxyphenol 150-76-5 DTXSID4020828 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(O)C=C1 4-Methoxyphenol 150-76-5|4-Methoxyphenol|1-Hydroxy-4-methoxybenzene|4-Hydroxyanisole|BENZENE, 1-METHOXY-4-HYDROXY-|EINECS 205-769-8|HYDROCHINON-MONOMETHYLAETHER|Hydroquinone methyl ether|Hydroquinone monomethyl ether|Leucobasal|Leucodine B|Mechinolo|Mechinolum|Mequinol|Mequinolum|Mono methyl ether hydroquinone|Monomethyl ether hydroquinone|Novo-Dermoquinona|NSC 4960|p-Guaiacol|p-Hydroxyanisol|p-Hydroxyanisole|p-Hydroxymethoxybenzene|p-Methoxyphenol|Phenol, 4-methoxy-|Phenol, p-methoxy-|UNII-6HT8U7K3AM https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020828 https://doi.org/10.22427/NTP-DATA-DTXSID4020828
ARPathway2016 ARPathway2016_882 4-Methoxyphenol 150-76-5 DTXSID4020828 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(O)C=C1 4-Methoxyphenol 150-76-5|4-Methoxyphenol|1-Hydroxy-4-methoxybenzene|4-Hydroxyanisole|BENZENE, 1-METHOXY-4-HYDROXY-|EINECS 205-769-8|HYDROCHINON-MONOMETHYLAETHER|Hydroquinone methyl ether|Hydroquinone monomethyl ether|Leucobasal|Leucodine B|Mechinolo|Mechinolum|Mequinol|Mequinolum|Mono methyl ether hydroquinone|Monomethyl ether hydroquinone|Novo-Dermoquinona|NSC 4960|p-Guaiacol|p-Hydroxyanisol|p-Hydroxyanisole|p-Hydroxymethoxybenzene|p-Methoxyphenol|Phenol, 4-methoxy-|Phenol, p-methoxy-|UNII-6HT8U7K3AM https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020828 https://doi.org/10.22427/NTP-DATA-DTXSID4020828
ERPathway2016 ERPathway2016_1320 4-Methoxyphenol 150-76-5 DTXSID4020828 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(O)C=C1 4-Methoxyphenol 150-76-5|4-Methoxyphenol|1-Hydroxy-4-methoxybenzene|4-Hydroxyanisole|BENZENE, 1-METHOXY-4-HYDROXY-|EINECS 205-769-8|HYDROCHINON-MONOMETHYLAETHER|Hydroquinone methyl ether|Hydroquinone monomethyl ether|Leucobasal|Leucodine B|Mechinolo|Mechinolum|Mequinol|Mequinolum|Mono methyl ether hydroquinone|Monomethyl ether hydroquinone|Novo-Dermoquinona|NSC 4960|p-Guaiacol|p-Hydroxyanisol|p-Hydroxyanisole|p-Hydroxymethoxybenzene|p-Methoxyphenol|Phenol, 4-methoxy-|Phenol, p-methoxy-|UNII-6HT8U7K3AM https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020828 https://doi.org/10.22427/NTP-DATA-DTXSID4020828
ERPathway2016 ERPathway2016_1320 4-Methoxyphenol 150-76-5 DTXSID4020828 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(O)C=C1 4-Methoxyphenol 150-76-5|4-Methoxyphenol|1-Hydroxy-4-methoxybenzene|4-Hydroxyanisole|BENZENE, 1-METHOXY-4-HYDROXY-|EINECS 205-769-8|HYDROCHINON-MONOMETHYLAETHER|Hydroquinone methyl ether|Hydroquinone monomethyl ether|Leucobasal|Leucodine B|Mechinolo|Mechinolum|Mequinol|Mequinolum|Mono methyl ether hydroquinone|Monomethyl ether hydroquinone|Novo-Dermoquinona|NSC 4960|p-Guaiacol|p-Hydroxyanisol|p-Hydroxyanisole|p-Hydroxymethoxybenzene|p-Methoxyphenol|Phenol, 4-methoxy-|Phenol, p-methoxy-|UNII-6HT8U7K3AM https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020828 https://doi.org/10.22427/NTP-DATA-DTXSID4020828
ERPathway2016 ERPathway2016_1320 4-Methoxyphenol 150-76-5 DTXSID4020828 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(O)C=C1 4-Methoxyphenol 150-76-5|4-Methoxyphenol|1-Hydroxy-4-methoxybenzene|4-Hydroxyanisole|BENZENE, 1-METHOXY-4-HYDROXY-|EINECS 205-769-8|HYDROCHINON-MONOMETHYLAETHER|Hydroquinone methyl ether|Hydroquinone monomethyl ether|Leucobasal|Leucodine B|Mechinolo|Mechinolum|Mequinol|Mequinolum|Mono methyl ether hydroquinone|Monomethyl ether hydroquinone|Novo-Dermoquinona|NSC 4960|p-Guaiacol|p-Hydroxyanisol|p-Hydroxyanisole|p-Hydroxymethoxybenzene|p-Methoxyphenol|Phenol, 4-methoxy-|Phenol, p-methoxy-|UNII-6HT8U7K3AM https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020828 https://doi.org/10.22427/NTP-DATA-DTXSID4020828
ERPathway2016 ERPathway2016_1320 4-Methoxyphenol 150-76-5 DTXSID4020828 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(O)C=C1 4-Methoxyphenol 150-76-5|4-Methoxyphenol|1-Hydroxy-4-methoxybenzene|4-Hydroxyanisole|BENZENE, 1-METHOXY-4-HYDROXY-|EINECS 205-769-8|HYDROCHINON-MONOMETHYLAETHER|Hydroquinone methyl ether|Hydroquinone monomethyl ether|Leucobasal|Leucodine B|Mechinolo|Mechinolum|Mequinol|Mequinolum|Mono methyl ether hydroquinone|Monomethyl ether hydroquinone|Novo-Dermoquinona|NSC 4960|p-Guaiacol|p-Hydroxyanisol|p-Hydroxyanisole|p-Hydroxymethoxybenzene|p-Methoxyphenol|Phenol, 4-methoxy-|Phenol, p-methoxy-|UNII-6HT8U7K3AM https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020828 https://doi.org/10.22427/NTP-DATA-DTXSID4020828
ARPathway2016 ARPathway2016_504 4-Methyl-2-pentanol 108-11-2 DTXSID2026781 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)CC(C)O 4-Methyl-2-pentanol 108-11-2|4-Methyl-2-pentanol|(.+-.)-4-Methyl-2-pentanol|(+-)-4-Methyl-2-pentanol|1,3-Dimethyl-1-butanol|1,3-Dimethylbutanol|1,3-Dimethylbutyl alcohol|2-Methyl-4-pentanol|2-Pentanol, 4-methyl-|4-01-00-01717|4-Methyl-2-amyl alcohol|4-Methyl-2-pentyl alcohol|4-methyl-pentanol-2|4-Methylpentan-2-ol|4-methylpentane-2-ol|4-Methylpentanol-2|4-metilpentan-2-ol|4-Metilpentan-2-olo|4-Pentanol, 2-methyl-|Alcohol methyl amylique|Alcool methyl amylique|BRN 1098268|dl-Methylisobutylcarbinol|EINECS 203-551-7|Isobutylmethylcarbinol|Isobutylmethylmethanol|M.I.B.C.|METHYL AMYL ALCOHOL|METHYL ISOBUTYL CARBINOL|Methyl-isobutylkarbinol|Methylisobutyl carbinol|Methylisobutylcarbinol|Metilamil alcohol|NSC 9384|PENTAN-2-OL, 4-METHYL-|UN 2053|UNII-8U34XJK0R0|20281-88-3|40747-85-1|72847-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026781
ARPathway2016 ARPathway2016_504 4-Methyl-2-pentanol 108-11-2 DTXSID2026781 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)CC(C)O 4-Methyl-2-pentanol 108-11-2|4-Methyl-2-pentanol|(.+-.)-4-Methyl-2-pentanol|(+-)-4-Methyl-2-pentanol|1,3-Dimethyl-1-butanol|1,3-Dimethylbutanol|1,3-Dimethylbutyl alcohol|2-Methyl-4-pentanol|2-Pentanol, 4-methyl-|4-01-00-01717|4-Methyl-2-amyl alcohol|4-Methyl-2-pentyl alcohol|4-methyl-pentanol-2|4-Methylpentan-2-ol|4-methylpentane-2-ol|4-Methylpentanol-2|4-metilpentan-2-ol|4-Metilpentan-2-olo|4-Pentanol, 2-methyl-|Alcohol methyl amylique|Alcool methyl amylique|BRN 1098268|dl-Methylisobutylcarbinol|EINECS 203-551-7|Isobutylmethylcarbinol|Isobutylmethylmethanol|M.I.B.C.|METHYL AMYL ALCOHOL|METHYL ISOBUTYL CARBINOL|Methyl-isobutylkarbinol|Methylisobutyl carbinol|Methylisobutylcarbinol|Metilamil alcohol|NSC 9384|PENTAN-2-OL, 4-METHYL-|UN 2053|UNII-8U34XJK0R0|20281-88-3|40747-85-1|72847-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026781
ARPathway2016 ARPathway2016_504 4-Methyl-2-pentanol 108-11-2 DTXSID2026781 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)CC(C)O 4-Methyl-2-pentanol 108-11-2|4-Methyl-2-pentanol|(.+-.)-4-Methyl-2-pentanol|(+-)-4-Methyl-2-pentanol|1,3-Dimethyl-1-butanol|1,3-Dimethylbutanol|1,3-Dimethylbutyl alcohol|2-Methyl-4-pentanol|2-Pentanol, 4-methyl-|4-01-00-01717|4-Methyl-2-amyl alcohol|4-Methyl-2-pentyl alcohol|4-methyl-pentanol-2|4-Methylpentan-2-ol|4-methylpentane-2-ol|4-Methylpentanol-2|4-metilpentan-2-ol|4-Metilpentan-2-olo|4-Pentanol, 2-methyl-|Alcohol methyl amylique|Alcool methyl amylique|BRN 1098268|dl-Methylisobutylcarbinol|EINECS 203-551-7|Isobutylmethylcarbinol|Isobutylmethylmethanol|M.I.B.C.|METHYL AMYL ALCOHOL|METHYL ISOBUTYL CARBINOL|Methyl-isobutylkarbinol|Methylisobutyl carbinol|Methylisobutylcarbinol|Metilamil alcohol|NSC 9384|PENTAN-2-OL, 4-METHYL-|UN 2053|UNII-8U34XJK0R0|20281-88-3|40747-85-1|72847-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026781
ARPathway2016 ARPathway2016_504 4-Methyl-2-pentanol 108-11-2 DTXSID2026781 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)CC(C)O 4-Methyl-2-pentanol 108-11-2|4-Methyl-2-pentanol|(.+-.)-4-Methyl-2-pentanol|(+-)-4-Methyl-2-pentanol|1,3-Dimethyl-1-butanol|1,3-Dimethylbutanol|1,3-Dimethylbutyl alcohol|2-Methyl-4-pentanol|2-Pentanol, 4-methyl-|4-01-00-01717|4-Methyl-2-amyl alcohol|4-Methyl-2-pentyl alcohol|4-methyl-pentanol-2|4-Methylpentan-2-ol|4-methylpentane-2-ol|4-Methylpentanol-2|4-metilpentan-2-ol|4-Metilpentan-2-olo|4-Pentanol, 2-methyl-|Alcohol methyl amylique|Alcool methyl amylique|BRN 1098268|dl-Methylisobutylcarbinol|EINECS 203-551-7|Isobutylmethylcarbinol|Isobutylmethylmethanol|M.I.B.C.|METHYL AMYL ALCOHOL|METHYL ISOBUTYL CARBINOL|Methyl-isobutylkarbinol|Methylisobutyl carbinol|Methylisobutylcarbinol|Metilamil alcohol|NSC 9384|PENTAN-2-OL, 4-METHYL-|UN 2053|UNII-8U34XJK0R0|20281-88-3|40747-85-1|72847-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026781
ERPathway2016 ERPathway2016_1107 4-Methyl-2-pentanol 108-11-2 DTXSID2026781 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)CC(C)O 4-Methyl-2-pentanol 108-11-2|4-Methyl-2-pentanol|(.+-.)-4-Methyl-2-pentanol|(+-)-4-Methyl-2-pentanol|1,3-Dimethyl-1-butanol|1,3-Dimethylbutanol|1,3-Dimethylbutyl alcohol|2-Methyl-4-pentanol|2-Pentanol, 4-methyl-|4-01-00-01717|4-Methyl-2-amyl alcohol|4-Methyl-2-pentyl alcohol|4-methyl-pentanol-2|4-Methylpentan-2-ol|4-methylpentane-2-ol|4-Methylpentanol-2|4-metilpentan-2-ol|4-Metilpentan-2-olo|4-Pentanol, 2-methyl-|Alcohol methyl amylique|Alcool methyl amylique|BRN 1098268|dl-Methylisobutylcarbinol|EINECS 203-551-7|Isobutylmethylcarbinol|Isobutylmethylmethanol|M.I.B.C.|METHYL AMYL ALCOHOL|METHYL ISOBUTYL CARBINOL|Methyl-isobutylkarbinol|Methylisobutyl carbinol|Methylisobutylcarbinol|Metilamil alcohol|NSC 9384|PENTAN-2-OL, 4-METHYL-|UN 2053|UNII-8U34XJK0R0|20281-88-3|40747-85-1|72847-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026781
ERPathway2016 ERPathway2016_1107 4-Methyl-2-pentanol 108-11-2 DTXSID2026781 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)CC(C)O 4-Methyl-2-pentanol 108-11-2|4-Methyl-2-pentanol|(.+-.)-4-Methyl-2-pentanol|(+-)-4-Methyl-2-pentanol|1,3-Dimethyl-1-butanol|1,3-Dimethylbutanol|1,3-Dimethylbutyl alcohol|2-Methyl-4-pentanol|2-Pentanol, 4-methyl-|4-01-00-01717|4-Methyl-2-amyl alcohol|4-Methyl-2-pentyl alcohol|4-methyl-pentanol-2|4-Methylpentan-2-ol|4-methylpentane-2-ol|4-Methylpentanol-2|4-metilpentan-2-ol|4-Metilpentan-2-olo|4-Pentanol, 2-methyl-|Alcohol methyl amylique|Alcool methyl amylique|BRN 1098268|dl-Methylisobutylcarbinol|EINECS 203-551-7|Isobutylmethylcarbinol|Isobutylmethylmethanol|M.I.B.C.|METHYL AMYL ALCOHOL|METHYL ISOBUTYL CARBINOL|Methyl-isobutylkarbinol|Methylisobutyl carbinol|Methylisobutylcarbinol|Metilamil alcohol|NSC 9384|PENTAN-2-OL, 4-METHYL-|UN 2053|UNII-8U34XJK0R0|20281-88-3|40747-85-1|72847-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026781
ERPathway2016 ERPathway2016_1107 4-Methyl-2-pentanol 108-11-2 DTXSID2026781 ER Pathway Model, Agonist Call Inactive Unitless CC(C)CC(C)O 4-Methyl-2-pentanol 108-11-2|4-Methyl-2-pentanol|(.+-.)-4-Methyl-2-pentanol|(+-)-4-Methyl-2-pentanol|1,3-Dimethyl-1-butanol|1,3-Dimethylbutanol|1,3-Dimethylbutyl alcohol|2-Methyl-4-pentanol|2-Pentanol, 4-methyl-|4-01-00-01717|4-Methyl-2-amyl alcohol|4-Methyl-2-pentyl alcohol|4-methyl-pentanol-2|4-Methylpentan-2-ol|4-methylpentane-2-ol|4-Methylpentanol-2|4-metilpentan-2-ol|4-Metilpentan-2-olo|4-Pentanol, 2-methyl-|Alcohol methyl amylique|Alcool methyl amylique|BRN 1098268|dl-Methylisobutylcarbinol|EINECS 203-551-7|Isobutylmethylcarbinol|Isobutylmethylmethanol|M.I.B.C.|METHYL AMYL ALCOHOL|METHYL ISOBUTYL CARBINOL|Methyl-isobutylkarbinol|Methylisobutyl carbinol|Methylisobutylcarbinol|Metilamil alcohol|NSC 9384|PENTAN-2-OL, 4-METHYL-|UN 2053|UNII-8U34XJK0R0|20281-88-3|40747-85-1|72847-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026781
ERPathway2016 ERPathway2016_1107 4-Methyl-2-pentanol 108-11-2 DTXSID2026781 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)CC(C)O 4-Methyl-2-pentanol 108-11-2|4-Methyl-2-pentanol|(.+-.)-4-Methyl-2-pentanol|(+-)-4-Methyl-2-pentanol|1,3-Dimethyl-1-butanol|1,3-Dimethylbutanol|1,3-Dimethylbutyl alcohol|2-Methyl-4-pentanol|2-Pentanol, 4-methyl-|4-01-00-01717|4-Methyl-2-amyl alcohol|4-Methyl-2-pentyl alcohol|4-methyl-pentanol-2|4-Methylpentan-2-ol|4-methylpentane-2-ol|4-Methylpentanol-2|4-metilpentan-2-ol|4-Metilpentan-2-olo|4-Pentanol, 2-methyl-|Alcohol methyl amylique|Alcool methyl amylique|BRN 1098268|dl-Methylisobutylcarbinol|EINECS 203-551-7|Isobutylmethylcarbinol|Isobutylmethylmethanol|M.I.B.C.|METHYL AMYL ALCOHOL|METHYL ISOBUTYL CARBINOL|Methyl-isobutylkarbinol|Methylisobutyl carbinol|Methylisobutylcarbinol|Metilamil alcohol|NSC 9384|PENTAN-2-OL, 4-METHYL-|UN 2053|UNII-8U34XJK0R0|20281-88-3|40747-85-1|72847-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026781
ARPathway2016 ARPathway2016_1029 4-Methyl-2-tert-butylphenol 2409-55-4 DTXSID2020212 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(=C(O)C=C1)C(C)(C)C 4-Methyl-2-tert-butylphenol 2409-55-4|4-Methyl-2-tert-butylphenol|1-Hydroxy-2-tert-butyl-4-methylbenzene|2-(1,1-Dimethylethyl)-4-methyl-phenol|2-(1,1-Dimethylethyl)-4-methylphenol|2-(Tert-Butyl)-4-Methylphenol|2-t-Butyl-p-cresol|2-terc.Butyl-p-kresol|2-tert-Butyl-4-methyl-1-phenol|2-tert-Butyl-4-methylphenol|4-06-00-03397|4-Methyl-2-(1,1-dimethylethyl)phenol|4-Methyl-2-(2-methyl-2-propanyl)phenol|4-Methyl-2-t-butylphenol|4-Methyl-6-t-butylphenol|BRN 1817645|EINECS 219-314-6|NSC 60301|o-tert-Butyl-p-cresol|Phenol, 2-(1,1-dimethylethyl)-4-methyl-|UNII-Y9VVU7G7J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020212
ARPathway2016 ARPathway2016_1029 4-Methyl-2-tert-butylphenol 2409-55-4 DTXSID2020212 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(=C(O)C=C1)C(C)(C)C 4-Methyl-2-tert-butylphenol 2409-55-4|4-Methyl-2-tert-butylphenol|1-Hydroxy-2-tert-butyl-4-methylbenzene|2-(1,1-Dimethylethyl)-4-methyl-phenol|2-(1,1-Dimethylethyl)-4-methylphenol|2-(Tert-Butyl)-4-Methylphenol|2-t-Butyl-p-cresol|2-terc.Butyl-p-kresol|2-tert-Butyl-4-methyl-1-phenol|2-tert-Butyl-4-methylphenol|4-06-00-03397|4-Methyl-2-(1,1-dimethylethyl)phenol|4-Methyl-2-(2-methyl-2-propanyl)phenol|4-Methyl-2-t-butylphenol|4-Methyl-6-t-butylphenol|BRN 1817645|EINECS 219-314-6|NSC 60301|o-tert-Butyl-p-cresol|Phenol, 2-(1,1-dimethylethyl)-4-methyl-|UNII-Y9VVU7G7J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020212
ARPathway2016 ARPathway2016_1029 4-Methyl-2-tert-butylphenol 2409-55-4 DTXSID2020212 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(=C(O)C=C1)C(C)(C)C 4-Methyl-2-tert-butylphenol 2409-55-4|4-Methyl-2-tert-butylphenol|1-Hydroxy-2-tert-butyl-4-methylbenzene|2-(1,1-Dimethylethyl)-4-methyl-phenol|2-(1,1-Dimethylethyl)-4-methylphenol|2-(Tert-Butyl)-4-Methylphenol|2-t-Butyl-p-cresol|2-terc.Butyl-p-kresol|2-tert-Butyl-4-methyl-1-phenol|2-tert-Butyl-4-methylphenol|4-06-00-03397|4-Methyl-2-(1,1-dimethylethyl)phenol|4-Methyl-2-(2-methyl-2-propanyl)phenol|4-Methyl-2-t-butylphenol|4-Methyl-6-t-butylphenol|BRN 1817645|EINECS 219-314-6|NSC 60301|o-tert-Butyl-p-cresol|Phenol, 2-(1,1-dimethylethyl)-4-methyl-|UNII-Y9VVU7G7J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020212
ARPathway2016 ARPathway2016_1029 4-Methyl-2-tert-butylphenol 2409-55-4 DTXSID2020212 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(=C(O)C=C1)C(C)(C)C 4-Methyl-2-tert-butylphenol 2409-55-4|4-Methyl-2-tert-butylphenol|1-Hydroxy-2-tert-butyl-4-methylbenzene|2-(1,1-Dimethylethyl)-4-methyl-phenol|2-(1,1-Dimethylethyl)-4-methylphenol|2-(Tert-Butyl)-4-Methylphenol|2-t-Butyl-p-cresol|2-terc.Butyl-p-kresol|2-tert-Butyl-4-methyl-1-phenol|2-tert-Butyl-4-methylphenol|4-06-00-03397|4-Methyl-2-(1,1-dimethylethyl)phenol|4-Methyl-2-(2-methyl-2-propanyl)phenol|4-Methyl-2-t-butylphenol|4-Methyl-6-t-butylphenol|BRN 1817645|EINECS 219-314-6|NSC 60301|o-tert-Butyl-p-cresol|Phenol, 2-(1,1-dimethylethyl)-4-methyl-|UNII-Y9VVU7G7J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020212
ERPathway2016 ERPathway2016_135 4-Methyl-2-tert-butylphenol 2409-55-4 DTXSID2020212 ER Pathway Model, Agonist AC50 15.5263012665188 uM CC1=CC(=C(O)C=C1)C(C)(C)C 4-Methyl-2-tert-butylphenol 2409-55-4|4-Methyl-2-tert-butylphenol|1-Hydroxy-2-tert-butyl-4-methylbenzene|2-(1,1-Dimethylethyl)-4-methyl-phenol|2-(1,1-Dimethylethyl)-4-methylphenol|2-(Tert-Butyl)-4-Methylphenol|2-t-Butyl-p-cresol|2-terc.Butyl-p-kresol|2-tert-Butyl-4-methyl-1-phenol|2-tert-Butyl-4-methylphenol|4-06-00-03397|4-Methyl-2-(1,1-dimethylethyl)phenol|4-Methyl-2-(2-methyl-2-propanyl)phenol|4-Methyl-2-t-butylphenol|4-Methyl-6-t-butylphenol|BRN 1817645|EINECS 219-314-6|NSC 60301|o-tert-Butyl-p-cresol|Phenol, 2-(1,1-dimethylethyl)-4-methyl-|UNII-Y9VVU7G7J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020212
ERPathway2016 ERPathway2016_135 4-Methyl-2-tert-butylphenol 2409-55-4 DTXSID2020212 ER Pathway Model, Agonist ACC 13.5499865034854 uM CC1=CC(=C(O)C=C1)C(C)(C)C 4-Methyl-2-tert-butylphenol 2409-55-4|4-Methyl-2-tert-butylphenol|1-Hydroxy-2-tert-butyl-4-methylbenzene|2-(1,1-Dimethylethyl)-4-methyl-phenol|2-(1,1-Dimethylethyl)-4-methylphenol|2-(Tert-Butyl)-4-Methylphenol|2-t-Butyl-p-cresol|2-terc.Butyl-p-kresol|2-tert-Butyl-4-methyl-1-phenol|2-tert-Butyl-4-methylphenol|4-06-00-03397|4-Methyl-2-(1,1-dimethylethyl)phenol|4-Methyl-2-(2-methyl-2-propanyl)phenol|4-Methyl-2-t-butylphenol|4-Methyl-6-t-butylphenol|BRN 1817645|EINECS 219-314-6|NSC 60301|o-tert-Butyl-p-cresol|Phenol, 2-(1,1-dimethylethyl)-4-methyl-|UNII-Y9VVU7G7J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020212
ERPathway2016 ERPathway2016_135 4-Methyl-2-tert-butylphenol 2409-55-4 DTXSID2020212 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(=C(O)C=C1)C(C)(C)C 4-Methyl-2-tert-butylphenol 2409-55-4|4-Methyl-2-tert-butylphenol|1-Hydroxy-2-tert-butyl-4-methylbenzene|2-(1,1-Dimethylethyl)-4-methyl-phenol|2-(1,1-Dimethylethyl)-4-methylphenol|2-(Tert-Butyl)-4-Methylphenol|2-t-Butyl-p-cresol|2-terc.Butyl-p-kresol|2-tert-Butyl-4-methyl-1-phenol|2-tert-Butyl-4-methylphenol|4-06-00-03397|4-Methyl-2-(1,1-dimethylethyl)phenol|4-Methyl-2-(2-methyl-2-propanyl)phenol|4-Methyl-2-t-butylphenol|4-Methyl-6-t-butylphenol|BRN 1817645|EINECS 219-314-6|NSC 60301|o-tert-Butyl-p-cresol|Phenol, 2-(1,1-dimethylethyl)-4-methyl-|UNII-Y9VVU7G7J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020212
ERPathway2016 ERPathway2016_135 4-Methyl-2-tert-butylphenol 2409-55-4 DTXSID2020212 ER Pathway Model, Antagonist Model Score 0.0164 Unitless CC1=CC(=C(O)C=C1)C(C)(C)C 4-Methyl-2-tert-butylphenol 2409-55-4|4-Methyl-2-tert-butylphenol|1-Hydroxy-2-tert-butyl-4-methylbenzene|2-(1,1-Dimethylethyl)-4-methyl-phenol|2-(1,1-Dimethylethyl)-4-methylphenol|2-(Tert-Butyl)-4-Methylphenol|2-t-Butyl-p-cresol|2-terc.Butyl-p-kresol|2-tert-Butyl-4-methyl-1-phenol|2-tert-Butyl-4-methylphenol|4-06-00-03397|4-Methyl-2-(1,1-dimethylethyl)phenol|4-Methyl-2-(2-methyl-2-propanyl)phenol|4-Methyl-2-t-butylphenol|4-Methyl-6-t-butylphenol|BRN 1817645|EINECS 219-314-6|NSC 60301|o-tert-Butyl-p-cresol|Phenol, 2-(1,1-dimethylethyl)-4-methyl-|UNII-Y9VVU7G7J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020212
ERPathway2016 ERPathway2016_135 4-Methyl-2-tert-butylphenol 2409-55-4 DTXSID2020212 ER Pathway Model, Agonist Call Active Unitless CC1=CC(=C(O)C=C1)C(C)(C)C 4-Methyl-2-tert-butylphenol 2409-55-4|4-Methyl-2-tert-butylphenol|1-Hydroxy-2-tert-butyl-4-methylbenzene|2-(1,1-Dimethylethyl)-4-methyl-phenol|2-(1,1-Dimethylethyl)-4-methylphenol|2-(Tert-Butyl)-4-Methylphenol|2-t-Butyl-p-cresol|2-terc.Butyl-p-kresol|2-tert-Butyl-4-methyl-1-phenol|2-tert-Butyl-4-methylphenol|4-06-00-03397|4-Methyl-2-(1,1-dimethylethyl)phenol|4-Methyl-2-(2-methyl-2-propanyl)phenol|4-Methyl-2-t-butylphenol|4-Methyl-6-t-butylphenol|BRN 1817645|EINECS 219-314-6|NSC 60301|o-tert-Butyl-p-cresol|Phenol, 2-(1,1-dimethylethyl)-4-methyl-|UNII-Y9VVU7G7J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020212
ERPathway2016 ERPathway2016_135 4-Methyl-2-tert-butylphenol 2409-55-4 DTXSID2020212 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(=C(O)C=C1)C(C)(C)C 4-Methyl-2-tert-butylphenol 2409-55-4|4-Methyl-2-tert-butylphenol|1-Hydroxy-2-tert-butyl-4-methylbenzene|2-(1,1-Dimethylethyl)-4-methyl-phenol|2-(1,1-Dimethylethyl)-4-methylphenol|2-(Tert-Butyl)-4-Methylphenol|2-t-Butyl-p-cresol|2-terc.Butyl-p-kresol|2-tert-Butyl-4-methyl-1-phenol|2-tert-Butyl-4-methylphenol|4-06-00-03397|4-Methyl-2-(1,1-dimethylethyl)phenol|4-Methyl-2-(2-methyl-2-propanyl)phenol|4-Methyl-2-t-butylphenol|4-Methyl-6-t-butylphenol|BRN 1817645|EINECS 219-314-6|NSC 60301|o-tert-Butyl-p-cresol|Phenol, 2-(1,1-dimethylethyl)-4-methyl-|UNII-Y9VVU7G7J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020212
ARPathway2016 ARPathway2016_477 4-Methylbenzenamine 106-49-0 DTXSID6021872 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(N)C=C1 4-Methylbenzenamine 106-49-0|4-Methylbenzenamine|1-Amino-4-methylbenzene|4-Amino-1-methylbenzene|4-Aminotoluen|4-Aminotoluene|4-Methyl-1-aminobenzene|4-Methylaniline|4-Methylbenzenamine|4-Methylbenzeneamine|4-Methylphenylamine|4-Toluidine|4-Tolylamine|Aniline, p-methyl-|Benzenamine, 4-methyl-|C.I. Azoic Coupling Component 107|CI Azoic Coupling Component 107|EINECS 203-403-1|Naphthol AS-KG|Naphtol AS-KG|Naphtol AS-KGLL|NSC 114040|NSC 15350|p-Aminotoluene|p-Methylaniline|p-Methylbenzenamine|p-Methylphenylamine|p-Toluidin|p-toluidina|p-Toluidine|p-Toluidyna|p-Tolylamine|RCRA waste number U353|TOLUENE, 4-AMINO-|TOLUIDINE, P-|UNII-I1D0KL7I4U|12221-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021872 https://doi.org/10.22427/NTP-DATA-DTXSID6021872
ARPathway2016 ARPathway2016_477 4-Methylbenzenamine 106-49-0 DTXSID6021872 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(N)C=C1 4-Methylbenzenamine 106-49-0|4-Methylbenzenamine|1-Amino-4-methylbenzene|4-Amino-1-methylbenzene|4-Aminotoluen|4-Aminotoluene|4-Methyl-1-aminobenzene|4-Methylaniline|4-Methylbenzenamine|4-Methylbenzeneamine|4-Methylphenylamine|4-Toluidine|4-Tolylamine|Aniline, p-methyl-|Benzenamine, 4-methyl-|C.I. Azoic Coupling Component 107|CI Azoic Coupling Component 107|EINECS 203-403-1|Naphthol AS-KG|Naphtol AS-KG|Naphtol AS-KGLL|NSC 114040|NSC 15350|p-Aminotoluene|p-Methylaniline|p-Methylbenzenamine|p-Methylphenylamine|p-Toluidin|p-toluidina|p-Toluidine|p-Toluidyna|p-Tolylamine|RCRA waste number U353|TOLUENE, 4-AMINO-|TOLUIDINE, P-|UNII-I1D0KL7I4U|12221-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021872 https://doi.org/10.22427/NTP-DATA-DTXSID6021872
ARPathway2016 ARPathway2016_477 4-Methylbenzenamine 106-49-0 DTXSID6021872 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(N)C=C1 4-Methylbenzenamine 106-49-0|4-Methylbenzenamine|1-Amino-4-methylbenzene|4-Amino-1-methylbenzene|4-Aminotoluen|4-Aminotoluene|4-Methyl-1-aminobenzene|4-Methylaniline|4-Methylbenzenamine|4-Methylbenzeneamine|4-Methylphenylamine|4-Toluidine|4-Tolylamine|Aniline, p-methyl-|Benzenamine, 4-methyl-|C.I. Azoic Coupling Component 107|CI Azoic Coupling Component 107|EINECS 203-403-1|Naphthol AS-KG|Naphtol AS-KG|Naphtol AS-KGLL|NSC 114040|NSC 15350|p-Aminotoluene|p-Methylaniline|p-Methylbenzenamine|p-Methylphenylamine|p-Toluidin|p-toluidina|p-Toluidine|p-Toluidyna|p-Tolylamine|RCRA waste number U353|TOLUENE, 4-AMINO-|TOLUIDINE, P-|UNII-I1D0KL7I4U|12221-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021872 https://doi.org/10.22427/NTP-DATA-DTXSID6021872
ARPathway2016 ARPathway2016_477 4-Methylbenzenamine 106-49-0 DTXSID6021872 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(N)C=C1 4-Methylbenzenamine 106-49-0|4-Methylbenzenamine|1-Amino-4-methylbenzene|4-Amino-1-methylbenzene|4-Aminotoluen|4-Aminotoluene|4-Methyl-1-aminobenzene|4-Methylaniline|4-Methylbenzenamine|4-Methylbenzeneamine|4-Methylphenylamine|4-Toluidine|4-Tolylamine|Aniline, p-methyl-|Benzenamine, 4-methyl-|C.I. Azoic Coupling Component 107|CI Azoic Coupling Component 107|EINECS 203-403-1|Naphthol AS-KG|Naphtol AS-KG|Naphtol AS-KGLL|NSC 114040|NSC 15350|p-Aminotoluene|p-Methylaniline|p-Methylbenzenamine|p-Methylphenylamine|p-Toluidin|p-toluidina|p-Toluidine|p-Toluidyna|p-Tolylamine|RCRA waste number U353|TOLUENE, 4-AMINO-|TOLUIDINE, P-|UNII-I1D0KL7I4U|12221-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021872 https://doi.org/10.22427/NTP-DATA-DTXSID6021872
ERPathway2016 ERPathway2016_1089 4-Methylbenzenamine 106-49-0 DTXSID6021872 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(N)C=C1 4-Methylbenzenamine 106-49-0|4-Methylbenzenamine|1-Amino-4-methylbenzene|4-Amino-1-methylbenzene|4-Aminotoluen|4-Aminotoluene|4-Methyl-1-aminobenzene|4-Methylaniline|4-Methylbenzenamine|4-Methylbenzeneamine|4-Methylphenylamine|4-Toluidine|4-Tolylamine|Aniline, p-methyl-|Benzenamine, 4-methyl-|C.I. Azoic Coupling Component 107|CI Azoic Coupling Component 107|EINECS 203-403-1|Naphthol AS-KG|Naphtol AS-KG|Naphtol AS-KGLL|NSC 114040|NSC 15350|p-Aminotoluene|p-Methylaniline|p-Methylbenzenamine|p-Methylphenylamine|p-Toluidin|p-toluidina|p-Toluidine|p-Toluidyna|p-Tolylamine|RCRA waste number U353|TOLUENE, 4-AMINO-|TOLUIDINE, P-|UNII-I1D0KL7I4U|12221-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021872 https://doi.org/10.22427/NTP-DATA-DTXSID6021872
ERPathway2016 ERPathway2016_1089 4-Methylbenzenamine 106-49-0 DTXSID6021872 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(N)C=C1 4-Methylbenzenamine 106-49-0|4-Methylbenzenamine|1-Amino-4-methylbenzene|4-Amino-1-methylbenzene|4-Aminotoluen|4-Aminotoluene|4-Methyl-1-aminobenzene|4-Methylaniline|4-Methylbenzenamine|4-Methylbenzeneamine|4-Methylphenylamine|4-Toluidine|4-Tolylamine|Aniline, p-methyl-|Benzenamine, 4-methyl-|C.I. Azoic Coupling Component 107|CI Azoic Coupling Component 107|EINECS 203-403-1|Naphthol AS-KG|Naphtol AS-KG|Naphtol AS-KGLL|NSC 114040|NSC 15350|p-Aminotoluene|p-Methylaniline|p-Methylbenzenamine|p-Methylphenylamine|p-Toluidin|p-toluidina|p-Toluidine|p-Toluidyna|p-Tolylamine|RCRA waste number U353|TOLUENE, 4-AMINO-|TOLUIDINE, P-|UNII-I1D0KL7I4U|12221-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021872 https://doi.org/10.22427/NTP-DATA-DTXSID6021872
ERPathway2016 ERPathway2016_1089 4-Methylbenzenamine 106-49-0 DTXSID6021872 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(N)C=C1 4-Methylbenzenamine 106-49-0|4-Methylbenzenamine|1-Amino-4-methylbenzene|4-Amino-1-methylbenzene|4-Aminotoluen|4-Aminotoluene|4-Methyl-1-aminobenzene|4-Methylaniline|4-Methylbenzenamine|4-Methylbenzeneamine|4-Methylphenylamine|4-Toluidine|4-Tolylamine|Aniline, p-methyl-|Benzenamine, 4-methyl-|C.I. Azoic Coupling Component 107|CI Azoic Coupling Component 107|EINECS 203-403-1|Naphthol AS-KG|Naphtol AS-KG|Naphtol AS-KGLL|NSC 114040|NSC 15350|p-Aminotoluene|p-Methylaniline|p-Methylbenzenamine|p-Methylphenylamine|p-Toluidin|p-toluidina|p-Toluidine|p-Toluidyna|p-Tolylamine|RCRA waste number U353|TOLUENE, 4-AMINO-|TOLUIDINE, P-|UNII-I1D0KL7I4U|12221-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021872 https://doi.org/10.22427/NTP-DATA-DTXSID6021872
ERPathway2016 ERPathway2016_1089 4-Methylbenzenamine 106-49-0 DTXSID6021872 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(N)C=C1 4-Methylbenzenamine 106-49-0|4-Methylbenzenamine|1-Amino-4-methylbenzene|4-Amino-1-methylbenzene|4-Aminotoluen|4-Aminotoluene|4-Methyl-1-aminobenzene|4-Methylaniline|4-Methylbenzenamine|4-Methylbenzeneamine|4-Methylphenylamine|4-Toluidine|4-Tolylamine|Aniline, p-methyl-|Benzenamine, 4-methyl-|C.I. Azoic Coupling Component 107|CI Azoic Coupling Component 107|EINECS 203-403-1|Naphthol AS-KG|Naphtol AS-KG|Naphtol AS-KGLL|NSC 114040|NSC 15350|p-Aminotoluene|p-Methylaniline|p-Methylbenzenamine|p-Methylphenylamine|p-Toluidin|p-toluidina|p-Toluidine|p-Toluidyna|p-Tolylamine|RCRA waste number U353|TOLUENE, 4-AMINO-|TOLUIDINE, P-|UNII-I1D0KL7I4U|12221-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021872 https://doi.org/10.22427/NTP-DATA-DTXSID6021872
ARPathway2016 ARPathway2016_526 4-Methylmorpholine 109-02-4 DTXSID9029146 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN1CCOCC1 4-Methylmorpholine 109-02-4|4-Methylmorpholine|1-Methylmorpholine|4-Methylmorfolin|4-Methylmorpholin|4-metilmorfolina|EINECS 203-640-0|Morpholine, 4-methyl-|Morpholine, N-methyl-|N-METHYLMORPHOLIN|n-Methylmorpholine|NSC 9382|UN 2535|UNII-11P91ANU5X|205657-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029146
ARPathway2016 ARPathway2016_526 4-Methylmorpholine 109-02-4 DTXSID9029146 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN1CCOCC1 4-Methylmorpholine 109-02-4|4-Methylmorpholine|1-Methylmorpholine|4-Methylmorfolin|4-Methylmorpholin|4-metilmorfolina|EINECS 203-640-0|Morpholine, 4-methyl-|Morpholine, N-methyl-|N-METHYLMORPHOLIN|n-Methylmorpholine|NSC 9382|UN 2535|UNII-11P91ANU5X|205657-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029146
ARPathway2016 ARPathway2016_526 4-Methylmorpholine 109-02-4 DTXSID9029146 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN1CCOCC1 4-Methylmorpholine 109-02-4|4-Methylmorpholine|1-Methylmorpholine|4-Methylmorfolin|4-Methylmorpholin|4-metilmorfolina|EINECS 203-640-0|Morpholine, 4-methyl-|Morpholine, N-methyl-|N-METHYLMORPHOLIN|n-Methylmorpholine|NSC 9382|UN 2535|UNII-11P91ANU5X|205657-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029146
ARPathway2016 ARPathway2016_526 4-Methylmorpholine 109-02-4 DTXSID9029146 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN1CCOCC1 4-Methylmorpholine 109-02-4|4-Methylmorpholine|1-Methylmorpholine|4-Methylmorfolin|4-Methylmorpholin|4-metilmorfolina|EINECS 203-640-0|Morpholine, 4-methyl-|Morpholine, N-methyl-|N-METHYLMORPHOLIN|n-Methylmorpholine|NSC 9382|UN 2535|UNII-11P91ANU5X|205657-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029146
ERPathway2016 ERPathway2016_1122 4-Methylmorpholine 109-02-4 DTXSID9029146 ER Pathway Model, Agonist Model Score 0 Unitless CN1CCOCC1 4-Methylmorpholine 109-02-4|4-Methylmorpholine|1-Methylmorpholine|4-Methylmorfolin|4-Methylmorpholin|4-metilmorfolina|EINECS 203-640-0|Morpholine, 4-methyl-|Morpholine, N-methyl-|N-METHYLMORPHOLIN|n-Methylmorpholine|NSC 9382|UN 2535|UNII-11P91ANU5X|205657-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029146
ERPathway2016 ERPathway2016_1122 4-Methylmorpholine 109-02-4 DTXSID9029146 ER Pathway Model, Antagonist Model Score 0 Unitless CN1CCOCC1 4-Methylmorpholine 109-02-4|4-Methylmorpholine|1-Methylmorpholine|4-Methylmorfolin|4-Methylmorpholin|4-metilmorfolina|EINECS 203-640-0|Morpholine, 4-methyl-|Morpholine, N-methyl-|N-METHYLMORPHOLIN|n-Methylmorpholine|NSC 9382|UN 2535|UNII-11P91ANU5X|205657-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029146
ERPathway2016 ERPathway2016_1122 4-Methylmorpholine 109-02-4 DTXSID9029146 ER Pathway Model, Agonist Call Inactive Unitless CN1CCOCC1 4-Methylmorpholine 109-02-4|4-Methylmorpholine|1-Methylmorpholine|4-Methylmorfolin|4-Methylmorpholin|4-metilmorfolina|EINECS 203-640-0|Morpholine, 4-methyl-|Morpholine, N-methyl-|N-METHYLMORPHOLIN|n-Methylmorpholine|NSC 9382|UN 2535|UNII-11P91ANU5X|205657-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029146
ERPathway2016 ERPathway2016_1122 4-Methylmorpholine 109-02-4 DTXSID9029146 ER Pathway Model, Antagonist Call Inactive Unitless CN1CCOCC1 4-Methylmorpholine 109-02-4|4-Methylmorpholine|1-Methylmorpholine|4-Methylmorfolin|4-Methylmorpholin|4-metilmorfolina|EINECS 203-640-0|Morpholine, 4-methyl-|Morpholine, N-methyl-|N-METHYLMORPHOLIN|n-Methylmorpholine|NSC 9382|UN 2535|UNII-11P91ANU5X|205657-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029146
ARPathway2016 ARPathway2016_840 4-Methylpent-3-en-2-one 141-79-7 DTXSID1029170 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CC(C)=O 4-Methylpent-3-en-2-one 141-79-7|4-Methylpent-3-en-2-one|(CH3)2C=CHC(=O)CH3|1-Methylpent-2-en-4-one|2-Methyl-2-penten-4-one|2-Methyl-2-pentenone-4|2-Methyl-4-oxo-2-pentene|2,2-Dimethylvinyl methyl ketone|3-Isohexen-2-one|3-Penten-2-one, 4-methyl|3-Penten-2-one, 4-methyl-|3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE|4-Methyl-3-penten-2-on|4-Methyl-3-penten-2-one|4-Methyl-3-penten-2-one (mesityl oxide)|4-Methyl-3-penten-2-one, 9CI|4-Methyl-3-pentene-2-one|4-Methylpent-3-en-2-on|4-methylpent-3-ene-2-one|4-Metil-3-penten-2-one|4-metilpent-3-en-2-ona|Acetone, isopropylidene-|BRN 1361550|Caswell No. 547|EINECS 205-502-5|EPA Pesticide Chemical Code 052401|FEMA 3368|FEMA No. 3368|FEMA Number 3368|Isobutenyl methyl ketone|Isopropylidene acetone|Isopropylidene-Acetone|Isopropylideneacetone|Mesityl oxide|Mesityl oxide [UN1229] [Flammable liquid]|MESITYLOXID|Mesityloxid(german)|Mesityloxyde|Methyl 2-methyl-1-propenyl ketone|Methyl 2,2-dimethylvinyl ketone|Methyl isobutenyl ketone|NSC 38717|Ossido di mesitile|Oxyde de mesityle|PENT-3-EN-2-ONE, 4-METHYL-|UN 1229|UNII-77LAC84669 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029170
ARPathway2016 ARPathway2016_840 4-Methylpent-3-en-2-one 141-79-7 DTXSID1029170 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=CC(C)=O 4-Methylpent-3-en-2-one 141-79-7|4-Methylpent-3-en-2-one|(CH3)2C=CHC(=O)CH3|1-Methylpent-2-en-4-one|2-Methyl-2-penten-4-one|2-Methyl-2-pentenone-4|2-Methyl-4-oxo-2-pentene|2,2-Dimethylvinyl methyl ketone|3-Isohexen-2-one|3-Penten-2-one, 4-methyl|3-Penten-2-one, 4-methyl-|3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE|4-Methyl-3-penten-2-on|4-Methyl-3-penten-2-one|4-Methyl-3-penten-2-one (mesityl oxide)|4-Methyl-3-penten-2-one, 9CI|4-Methyl-3-pentene-2-one|4-Methylpent-3-en-2-on|4-methylpent-3-ene-2-one|4-Metil-3-penten-2-one|4-metilpent-3-en-2-ona|Acetone, isopropylidene-|BRN 1361550|Caswell No. 547|EINECS 205-502-5|EPA Pesticide Chemical Code 052401|FEMA 3368|FEMA No. 3368|FEMA Number 3368|Isobutenyl methyl ketone|Isopropylidene acetone|Isopropylidene-Acetone|Isopropylideneacetone|Mesityl oxide|Mesityl oxide [UN1229] [Flammable liquid]|MESITYLOXID|Mesityloxid(german)|Mesityloxyde|Methyl 2-methyl-1-propenyl ketone|Methyl 2,2-dimethylvinyl ketone|Methyl isobutenyl ketone|NSC 38717|Ossido di mesitile|Oxyde de mesityle|PENT-3-EN-2-ONE, 4-METHYL-|UN 1229|UNII-77LAC84669 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029170
ARPathway2016 ARPathway2016_840 4-Methylpent-3-en-2-one 141-79-7 DTXSID1029170 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)=CC(C)=O 4-Methylpent-3-en-2-one 141-79-7|4-Methylpent-3-en-2-one|(CH3)2C=CHC(=O)CH3|1-Methylpent-2-en-4-one|2-Methyl-2-penten-4-one|2-Methyl-2-pentenone-4|2-Methyl-4-oxo-2-pentene|2,2-Dimethylvinyl methyl ketone|3-Isohexen-2-one|3-Penten-2-one, 4-methyl|3-Penten-2-one, 4-methyl-|3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE|4-Methyl-3-penten-2-on|4-Methyl-3-penten-2-one|4-Methyl-3-penten-2-one (mesityl oxide)|4-Methyl-3-penten-2-one, 9CI|4-Methyl-3-pentene-2-one|4-Methylpent-3-en-2-on|4-methylpent-3-ene-2-one|4-Metil-3-penten-2-one|4-metilpent-3-en-2-ona|Acetone, isopropylidene-|BRN 1361550|Caswell No. 547|EINECS 205-502-5|EPA Pesticide Chemical Code 052401|FEMA 3368|FEMA No. 3368|FEMA Number 3368|Isobutenyl methyl ketone|Isopropylidene acetone|Isopropylidene-Acetone|Isopropylideneacetone|Mesityl oxide|Mesityl oxide [UN1229] [Flammable liquid]|MESITYLOXID|Mesityloxid(german)|Mesityloxyde|Methyl 2-methyl-1-propenyl ketone|Methyl 2,2-dimethylvinyl ketone|Methyl isobutenyl ketone|NSC 38717|Ossido di mesitile|Oxyde de mesityle|PENT-3-EN-2-ONE, 4-METHYL-|UN 1229|UNII-77LAC84669 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029170
ARPathway2016 ARPathway2016_840 4-Methylpent-3-en-2-one 141-79-7 DTXSID1029170 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=CC(C)=O 4-Methylpent-3-en-2-one 141-79-7|4-Methylpent-3-en-2-one|(CH3)2C=CHC(=O)CH3|1-Methylpent-2-en-4-one|2-Methyl-2-penten-4-one|2-Methyl-2-pentenone-4|2-Methyl-4-oxo-2-pentene|2,2-Dimethylvinyl methyl ketone|3-Isohexen-2-one|3-Penten-2-one, 4-methyl|3-Penten-2-one, 4-methyl-|3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE|4-Methyl-3-penten-2-on|4-Methyl-3-penten-2-one|4-Methyl-3-penten-2-one (mesityl oxide)|4-Methyl-3-penten-2-one, 9CI|4-Methyl-3-pentene-2-one|4-Methylpent-3-en-2-on|4-methylpent-3-ene-2-one|4-Metil-3-penten-2-one|4-metilpent-3-en-2-ona|Acetone, isopropylidene-|BRN 1361550|Caswell No. 547|EINECS 205-502-5|EPA Pesticide Chemical Code 052401|FEMA 3368|FEMA No. 3368|FEMA Number 3368|Isobutenyl methyl ketone|Isopropylidene acetone|Isopropylidene-Acetone|Isopropylideneacetone|Mesityl oxide|Mesityl oxide [UN1229] [Flammable liquid]|MESITYLOXID|Mesityloxid(german)|Mesityloxyde|Methyl 2-methyl-1-propenyl ketone|Methyl 2,2-dimethylvinyl ketone|Methyl isobutenyl ketone|NSC 38717|Ossido di mesitile|Oxyde de mesityle|PENT-3-EN-2-ONE, 4-METHYL-|UN 1229|UNII-77LAC84669 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029170
ERPathway2016 ERPathway2016_220 4-Methylpent-3-en-2-one 141-79-7 DTXSID1029170 Agonist ER Pathway Model, Antagonist AC50 17.1754944710979 uM CC(C)=CC(C)=O 4-Methylpent-3-en-2-one 141-79-7|4-Methylpent-3-en-2-one|(CH3)2C=CHC(=O)CH3|1-Methylpent-2-en-4-one|2-Methyl-2-penten-4-one|2-Methyl-2-pentenone-4|2-Methyl-4-oxo-2-pentene|2,2-Dimethylvinyl methyl ketone|3-Isohexen-2-one|3-Penten-2-one, 4-methyl|3-Penten-2-one, 4-methyl-|3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE|4-Methyl-3-penten-2-on|4-Methyl-3-penten-2-one|4-Methyl-3-penten-2-one (mesityl oxide)|4-Methyl-3-penten-2-one, 9CI|4-Methyl-3-pentene-2-one|4-Methylpent-3-en-2-on|4-methylpent-3-ene-2-one|4-Metil-3-penten-2-one|4-metilpent-3-en-2-ona|Acetone, isopropylidene-|BRN 1361550|Caswell No. 547|EINECS 205-502-5|EPA Pesticide Chemical Code 052401|FEMA 3368|FEMA No. 3368|FEMA Number 3368|Isobutenyl methyl ketone|Isopropylidene acetone|Isopropylidene-Acetone|Isopropylideneacetone|Mesityl oxide|Mesityl oxide [UN1229] [Flammable liquid]|MESITYLOXID|Mesityloxid(german)|Mesityloxyde|Methyl 2-methyl-1-propenyl ketone|Methyl 2,2-dimethylvinyl ketone|Methyl isobutenyl ketone|NSC 38717|Ossido di mesitile|Oxyde de mesityle|PENT-3-EN-2-ONE, 4-METHYL-|UN 1229|UNII-77LAC84669 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029170
ERPathway2016 ERPathway2016_220 4-Methylpent-3-en-2-one 141-79-7 DTXSID1029170 Agonist ER Pathway Model, Antagonist ACC 6.5099893305711 uM CC(C)=CC(C)=O 4-Methylpent-3-en-2-one 141-79-7|4-Methylpent-3-en-2-one|(CH3)2C=CHC(=O)CH3|1-Methylpent-2-en-4-one|2-Methyl-2-penten-4-one|2-Methyl-2-pentenone-4|2-Methyl-4-oxo-2-pentene|2,2-Dimethylvinyl methyl ketone|3-Isohexen-2-one|3-Penten-2-one, 4-methyl|3-Penten-2-one, 4-methyl-|3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE|4-Methyl-3-penten-2-on|4-Methyl-3-penten-2-one|4-Methyl-3-penten-2-one (mesityl oxide)|4-Methyl-3-penten-2-one, 9CI|4-Methyl-3-pentene-2-one|4-Methylpent-3-en-2-on|4-methylpent-3-ene-2-one|4-Metil-3-penten-2-one|4-metilpent-3-en-2-ona|Acetone, isopropylidene-|BRN 1361550|Caswell No. 547|EINECS 205-502-5|EPA Pesticide Chemical Code 052401|FEMA 3368|FEMA No. 3368|FEMA Number 3368|Isobutenyl methyl ketone|Isopropylidene acetone|Isopropylidene-Acetone|Isopropylideneacetone|Mesityl oxide|Mesityl oxide [UN1229] [Flammable liquid]|MESITYLOXID|Mesityloxid(german)|Mesityloxyde|Methyl 2-methyl-1-propenyl ketone|Methyl 2,2-dimethylvinyl ketone|Methyl isobutenyl ketone|NSC 38717|Ossido di mesitile|Oxyde de mesityle|PENT-3-EN-2-ONE, 4-METHYL-|UN 1229|UNII-77LAC84669 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029170
ERPathway2016 ERPathway2016_220 4-Methylpent-3-en-2-one 141-79-7 DTXSID1029170 Agonist ER Pathway Model, Agonist Model Score 0.14 Unitless CC(C)=CC(C)=O 4-Methylpent-3-en-2-one 141-79-7|4-Methylpent-3-en-2-one|(CH3)2C=CHC(=O)CH3|1-Methylpent-2-en-4-one|2-Methyl-2-penten-4-one|2-Methyl-2-pentenone-4|2-Methyl-4-oxo-2-pentene|2,2-Dimethylvinyl methyl ketone|3-Isohexen-2-one|3-Penten-2-one, 4-methyl|3-Penten-2-one, 4-methyl-|3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE|4-Methyl-3-penten-2-on|4-Methyl-3-penten-2-one|4-Methyl-3-penten-2-one (mesityl oxide)|4-Methyl-3-penten-2-one, 9CI|4-Methyl-3-pentene-2-one|4-Methylpent-3-en-2-on|4-methylpent-3-ene-2-one|4-Metil-3-penten-2-one|4-metilpent-3-en-2-ona|Acetone, isopropylidene-|BRN 1361550|Caswell No. 547|EINECS 205-502-5|EPA Pesticide Chemical Code 052401|FEMA 3368|FEMA No. 3368|FEMA Number 3368|Isobutenyl methyl ketone|Isopropylidene acetone|Isopropylidene-Acetone|Isopropylideneacetone|Mesityl oxide|Mesityl oxide [UN1229] [Flammable liquid]|MESITYLOXID|Mesityloxid(german)|Mesityloxyde|Methyl 2-methyl-1-propenyl ketone|Methyl 2,2-dimethylvinyl ketone|Methyl isobutenyl ketone|NSC 38717|Ossido di mesitile|Oxyde de mesityle|PENT-3-EN-2-ONE, 4-METHYL-|UN 1229|UNII-77LAC84669 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029170
ERPathway2016 ERPathway2016_220 4-Methylpent-3-en-2-one 141-79-7 DTXSID1029170 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CC(C)=O 4-Methylpent-3-en-2-one 141-79-7|4-Methylpent-3-en-2-one|(CH3)2C=CHC(=O)CH3|1-Methylpent-2-en-4-one|2-Methyl-2-penten-4-one|2-Methyl-2-pentenone-4|2-Methyl-4-oxo-2-pentene|2,2-Dimethylvinyl methyl ketone|3-Isohexen-2-one|3-Penten-2-one, 4-methyl|3-Penten-2-one, 4-methyl-|3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE|4-Methyl-3-penten-2-on|4-Methyl-3-penten-2-one|4-Methyl-3-penten-2-one (mesityl oxide)|4-Methyl-3-penten-2-one, 9CI|4-Methyl-3-pentene-2-one|4-Methylpent-3-en-2-on|4-methylpent-3-ene-2-one|4-Metil-3-penten-2-one|4-metilpent-3-en-2-ona|Acetone, isopropylidene-|BRN 1361550|Caswell No. 547|EINECS 205-502-5|EPA Pesticide Chemical Code 052401|FEMA 3368|FEMA No. 3368|FEMA Number 3368|Isobutenyl methyl ketone|Isopropylidene acetone|Isopropylidene-Acetone|Isopropylideneacetone|Mesityl oxide|Mesityl oxide [UN1229] [Flammable liquid]|MESITYLOXID|Mesityloxid(german)|Mesityloxyde|Methyl 2-methyl-1-propenyl ketone|Methyl 2,2-dimethylvinyl ketone|Methyl isobutenyl ketone|NSC 38717|Ossido di mesitile|Oxyde de mesityle|PENT-3-EN-2-ONE, 4-METHYL-|UN 1229|UNII-77LAC84669 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029170
ERPathway2016 ERPathway2016_220 4-Methylpent-3-en-2-one 141-79-7 DTXSID1029170 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC(C)=CC(C)=O 4-Methylpent-3-en-2-one 141-79-7|4-Methylpent-3-en-2-one|(CH3)2C=CHC(=O)CH3|1-Methylpent-2-en-4-one|2-Methyl-2-penten-4-one|2-Methyl-2-pentenone-4|2-Methyl-4-oxo-2-pentene|2,2-Dimethylvinyl methyl ketone|3-Isohexen-2-one|3-Penten-2-one, 4-methyl|3-Penten-2-one, 4-methyl-|3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE|4-Methyl-3-penten-2-on|4-Methyl-3-penten-2-one|4-Methyl-3-penten-2-one (mesityl oxide)|4-Methyl-3-penten-2-one, 9CI|4-Methyl-3-pentene-2-one|4-Methylpent-3-en-2-on|4-methylpent-3-ene-2-one|4-Metil-3-penten-2-one|4-metilpent-3-en-2-ona|Acetone, isopropylidene-|BRN 1361550|Caswell No. 547|EINECS 205-502-5|EPA Pesticide Chemical Code 052401|FEMA 3368|FEMA No. 3368|FEMA Number 3368|Isobutenyl methyl ketone|Isopropylidene acetone|Isopropylidene-Acetone|Isopropylideneacetone|Mesityl oxide|Mesityl oxide [UN1229] [Flammable liquid]|MESITYLOXID|Mesityloxid(german)|Mesityloxyde|Methyl 2-methyl-1-propenyl ketone|Methyl 2,2-dimethylvinyl ketone|Methyl isobutenyl ketone|NSC 38717|Ossido di mesitile|Oxyde de mesityle|PENT-3-EN-2-ONE, 4-METHYL-|UN 1229|UNII-77LAC84669 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029170
ERPathway2016 ERPathway2016_220 4-Methylpent-3-en-2-one 141-79-7 DTXSID1029170 Agonist ER Pathway Model, Antagonist Call Active Unitless CC(C)=CC(C)=O 4-Methylpent-3-en-2-one 141-79-7|4-Methylpent-3-en-2-one|(CH3)2C=CHC(=O)CH3|1-Methylpent-2-en-4-one|2-Methyl-2-penten-4-one|2-Methyl-2-pentenone-4|2-Methyl-4-oxo-2-pentene|2,2-Dimethylvinyl methyl ketone|3-Isohexen-2-one|3-Penten-2-one, 4-methyl|3-Penten-2-one, 4-methyl-|3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE|4-Methyl-3-penten-2-on|4-Methyl-3-penten-2-one|4-Methyl-3-penten-2-one (mesityl oxide)|4-Methyl-3-penten-2-one, 9CI|4-Methyl-3-pentene-2-one|4-Methylpent-3-en-2-on|4-methylpent-3-ene-2-one|4-Metil-3-penten-2-one|4-metilpent-3-en-2-ona|Acetone, isopropylidene-|BRN 1361550|Caswell No. 547|EINECS 205-502-5|EPA Pesticide Chemical Code 052401|FEMA 3368|FEMA No. 3368|FEMA Number 3368|Isobutenyl methyl ketone|Isopropylidene acetone|Isopropylidene-Acetone|Isopropylideneacetone|Mesityl oxide|Mesityl oxide [UN1229] [Flammable liquid]|MESITYLOXID|Mesityloxid(german)|Mesityloxyde|Methyl 2-methyl-1-propenyl ketone|Methyl 2,2-dimethylvinyl ketone|Methyl isobutenyl ketone|NSC 38717|Ossido di mesitile|Oxyde de mesityle|PENT-3-EN-2-ONE, 4-METHYL-|UN 1229|UNII-77LAC84669 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029170
ARPathway2016 ARPathway2016_1410 4-Methylstyrene 622-97-9 DTXSID3020889 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C=C)C=C1 4-Methylstyrene 622-97-9|4-Methylstyrene|(4-Methylphenyl)ethene|(4-Tolyl)ethene|1-(4-Methylphenyl)-1-ethene|1-Ethenyl-4-methylbenzene|1-Methyl-4-vinylbenzene|1-p-Tolylethene|1-Vinyl-4-methylbenzene|4-Ethenylmethylbenzene|4-Methylstyrol|4-Methylvinylbenzene|4-metilestireno|4-Vinyltoluene|Benzene, 1-ethenyl-4-methyl-|EINECS 210-762-8|p-Methyl styrene|p-Methylstyrene|p-Tolylethylene|p-Vinyltoluene|Styrene, p-methyl-|UN 2618|UNII-HJ7H0G60Q0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020889
ARPathway2016 ARPathway2016_1410 4-Methylstyrene 622-97-9 DTXSID3020889 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C=C)C=C1 4-Methylstyrene 622-97-9|4-Methylstyrene|(4-Methylphenyl)ethene|(4-Tolyl)ethene|1-(4-Methylphenyl)-1-ethene|1-Ethenyl-4-methylbenzene|1-Methyl-4-vinylbenzene|1-p-Tolylethene|1-Vinyl-4-methylbenzene|4-Ethenylmethylbenzene|4-Methylstyrol|4-Methylvinylbenzene|4-metilestireno|4-Vinyltoluene|Benzene, 1-ethenyl-4-methyl-|EINECS 210-762-8|p-Methyl styrene|p-Methylstyrene|p-Tolylethylene|p-Vinyltoluene|Styrene, p-methyl-|UN 2618|UNII-HJ7H0G60Q0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020889
ARPathway2016 ARPathway2016_1410 4-Methylstyrene 622-97-9 DTXSID3020889 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C=C)C=C1 4-Methylstyrene 622-97-9|4-Methylstyrene|(4-Methylphenyl)ethene|(4-Tolyl)ethene|1-(4-Methylphenyl)-1-ethene|1-Ethenyl-4-methylbenzene|1-Methyl-4-vinylbenzene|1-p-Tolylethene|1-Vinyl-4-methylbenzene|4-Ethenylmethylbenzene|4-Methylstyrol|4-Methylvinylbenzene|4-metilestireno|4-Vinyltoluene|Benzene, 1-ethenyl-4-methyl-|EINECS 210-762-8|p-Methyl styrene|p-Methylstyrene|p-Tolylethylene|p-Vinyltoluene|Styrene, p-methyl-|UN 2618|UNII-HJ7H0G60Q0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020889
ARPathway2016 ARPathway2016_1410 4-Methylstyrene 622-97-9 DTXSID3020889 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C=C)C=C1 4-Methylstyrene 622-97-9|4-Methylstyrene|(4-Methylphenyl)ethene|(4-Tolyl)ethene|1-(4-Methylphenyl)-1-ethene|1-Ethenyl-4-methylbenzene|1-Methyl-4-vinylbenzene|1-p-Tolylethene|1-Vinyl-4-methylbenzene|4-Ethenylmethylbenzene|4-Methylstyrol|4-Methylvinylbenzene|4-metilestireno|4-Vinyltoluene|Benzene, 1-ethenyl-4-methyl-|EINECS 210-762-8|p-Methyl styrene|p-Methylstyrene|p-Tolylethylene|p-Vinyltoluene|Styrene, p-methyl-|UN 2618|UNII-HJ7H0G60Q0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020889
ERPathway2016 ERPathway2016_1578 4-Methylstyrene 622-97-9 DTXSID3020889 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C=C)C=C1 4-Methylstyrene 622-97-9|4-Methylstyrene|(4-Methylphenyl)ethene|(4-Tolyl)ethene|1-(4-Methylphenyl)-1-ethene|1-Ethenyl-4-methylbenzene|1-Methyl-4-vinylbenzene|1-p-Tolylethene|1-Vinyl-4-methylbenzene|4-Ethenylmethylbenzene|4-Methylstyrol|4-Methylvinylbenzene|4-metilestireno|4-Vinyltoluene|Benzene, 1-ethenyl-4-methyl-|EINECS 210-762-8|p-Methyl styrene|p-Methylstyrene|p-Tolylethylene|p-Vinyltoluene|Styrene, p-methyl-|UN 2618|UNII-HJ7H0G60Q0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020889
ERPathway2016 ERPathway2016_1578 4-Methylstyrene 622-97-9 DTXSID3020889 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C=C)C=C1 4-Methylstyrene 622-97-9|4-Methylstyrene|(4-Methylphenyl)ethene|(4-Tolyl)ethene|1-(4-Methylphenyl)-1-ethene|1-Ethenyl-4-methylbenzene|1-Methyl-4-vinylbenzene|1-p-Tolylethene|1-Vinyl-4-methylbenzene|4-Ethenylmethylbenzene|4-Methylstyrol|4-Methylvinylbenzene|4-metilestireno|4-Vinyltoluene|Benzene, 1-ethenyl-4-methyl-|EINECS 210-762-8|p-Methyl styrene|p-Methylstyrene|p-Tolylethylene|p-Vinyltoluene|Styrene, p-methyl-|UN 2618|UNII-HJ7H0G60Q0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020889
ERPathway2016 ERPathway2016_1578 4-Methylstyrene 622-97-9 DTXSID3020889 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C=C)C=C1 4-Methylstyrene 622-97-9|4-Methylstyrene|(4-Methylphenyl)ethene|(4-Tolyl)ethene|1-(4-Methylphenyl)-1-ethene|1-Ethenyl-4-methylbenzene|1-Methyl-4-vinylbenzene|1-p-Tolylethene|1-Vinyl-4-methylbenzene|4-Ethenylmethylbenzene|4-Methylstyrol|4-Methylvinylbenzene|4-metilestireno|4-Vinyltoluene|Benzene, 1-ethenyl-4-methyl-|EINECS 210-762-8|p-Methyl styrene|p-Methylstyrene|p-Tolylethylene|p-Vinyltoluene|Styrene, p-methyl-|UN 2618|UNII-HJ7H0G60Q0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020889
ERPathway2016 ERPathway2016_1578 4-Methylstyrene 622-97-9 DTXSID3020889 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C=C)C=C1 4-Methylstyrene 622-97-9|4-Methylstyrene|(4-Methylphenyl)ethene|(4-Tolyl)ethene|1-(4-Methylphenyl)-1-ethene|1-Ethenyl-4-methylbenzene|1-Methyl-4-vinylbenzene|1-p-Tolylethene|1-Vinyl-4-methylbenzene|4-Ethenylmethylbenzene|4-Methylstyrol|4-Methylvinylbenzene|4-metilestireno|4-Vinyltoluene|Benzene, 1-ethenyl-4-methyl-|EINECS 210-762-8|p-Methyl styrene|p-Methylstyrene|p-Tolylethylene|p-Vinyltoluene|Styrene, p-methyl-|UN 2618|UNII-HJ7H0G60Q0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020889
ARPathway2016 ARPathway2016_708 4-Morpholinepropanamine 123-00-2 DTXSID4041521 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NCCCN1CCOCC1 4-Morpholinepropanamine 123-00-2|4-Morpholinepropanamine|(3-Aminopropyl)morpholine|[3-(4-Morpholinyl)propan-1-yl]amine|1-Amino-3-morpholinopropane|1-Morpholino-3-aminopropane|3-(4-Morpholino)propylamine|3-(4-Morpholinyl)-1-propanamine|3-(4-Morpholinyl)-1-propylamine|3-(4-Morpholinyl)propanamine|3-(4-Morpholinyl)propylamine|3-(Morpholin-4-yl)propylamine|3-(Morpholino)-n-propylamine|3-(N-Morpholino)-1-aminopropane|3-Amino-1-(morpholino)propane|3-morfolinopropilamina|3-morpholinopropan-1-amine|3-Morpholinopropanamine|3-Morpholinopropylamin|3-Morpholinopropylamine|4-(3-aminopropyl)-morpholine|4-(3-Aminopropyl)morpholine|4-(3'-Aminopropyl)morpholine|4-(g-Aminopropyl)morpholine|4-27-00-00411|4-Aminopropylmorpholine|4-Morpholinepropylamine|BRN 0105104|EINECS 204-590-2|gamma-Morpholinopropylamine|MORPHOLINE, 4-(3-AMINOPROPYL)-|Morpholine, N-aminopropyl-|N-(3-AMINOPROPYL)-MORPHOLIN|N-(3-Aminopropyl)morfolin|N-(3-Aminopropyl)morpholine|NSC 1081|UNII-9A09425QD6|g-Morpholinopropylamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041521
ARPathway2016 ARPathway2016_708 4-Morpholinepropanamine 123-00-2 DTXSID4041521 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NCCCN1CCOCC1 4-Morpholinepropanamine 123-00-2|4-Morpholinepropanamine|(3-Aminopropyl)morpholine|[3-(4-Morpholinyl)propan-1-yl]amine|1-Amino-3-morpholinopropane|1-Morpholino-3-aminopropane|3-(4-Morpholino)propylamine|3-(4-Morpholinyl)-1-propanamine|3-(4-Morpholinyl)-1-propylamine|3-(4-Morpholinyl)propanamine|3-(4-Morpholinyl)propylamine|3-(Morpholin-4-yl)propylamine|3-(Morpholino)-n-propylamine|3-(N-Morpholino)-1-aminopropane|3-Amino-1-(morpholino)propane|3-morfolinopropilamina|3-morpholinopropan-1-amine|3-Morpholinopropanamine|3-Morpholinopropylamin|3-Morpholinopropylamine|4-(3-aminopropyl)-morpholine|4-(3-Aminopropyl)morpholine|4-(3'-Aminopropyl)morpholine|4-(g-Aminopropyl)morpholine|4-27-00-00411|4-Aminopropylmorpholine|4-Morpholinepropylamine|BRN 0105104|EINECS 204-590-2|gamma-Morpholinopropylamine|MORPHOLINE, 4-(3-AMINOPROPYL)-|Morpholine, N-aminopropyl-|N-(3-AMINOPROPYL)-MORPHOLIN|N-(3-Aminopropyl)morfolin|N-(3-Aminopropyl)morpholine|NSC 1081|UNII-9A09425QD6|g-Morpholinopropylamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041521
ARPathway2016 ARPathway2016_708 4-Morpholinepropanamine 123-00-2 DTXSID4041521 0.0 AR Pathway Model, Agonist Call Inactive Unitless NCCCN1CCOCC1 4-Morpholinepropanamine 123-00-2|4-Morpholinepropanamine|(3-Aminopropyl)morpholine|[3-(4-Morpholinyl)propan-1-yl]amine|1-Amino-3-morpholinopropane|1-Morpholino-3-aminopropane|3-(4-Morpholino)propylamine|3-(4-Morpholinyl)-1-propanamine|3-(4-Morpholinyl)-1-propylamine|3-(4-Morpholinyl)propanamine|3-(4-Morpholinyl)propylamine|3-(Morpholin-4-yl)propylamine|3-(Morpholino)-n-propylamine|3-(N-Morpholino)-1-aminopropane|3-Amino-1-(morpholino)propane|3-morfolinopropilamina|3-morpholinopropan-1-amine|3-Morpholinopropanamine|3-Morpholinopropylamin|3-Morpholinopropylamine|4-(3-aminopropyl)-morpholine|4-(3-Aminopropyl)morpholine|4-(3'-Aminopropyl)morpholine|4-(g-Aminopropyl)morpholine|4-27-00-00411|4-Aminopropylmorpholine|4-Morpholinepropylamine|BRN 0105104|EINECS 204-590-2|gamma-Morpholinopropylamine|MORPHOLINE, 4-(3-AMINOPROPYL)-|Morpholine, N-aminopropyl-|N-(3-AMINOPROPYL)-MORPHOLIN|N-(3-Aminopropyl)morfolin|N-(3-Aminopropyl)morpholine|NSC 1081|UNII-9A09425QD6|g-Morpholinopropylamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041521
ARPathway2016 ARPathway2016_708 4-Morpholinepropanamine 123-00-2 DTXSID4041521 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NCCCN1CCOCC1 4-Morpholinepropanamine 123-00-2|4-Morpholinepropanamine|(3-Aminopropyl)morpholine|[3-(4-Morpholinyl)propan-1-yl]amine|1-Amino-3-morpholinopropane|1-Morpholino-3-aminopropane|3-(4-Morpholino)propylamine|3-(4-Morpholinyl)-1-propanamine|3-(4-Morpholinyl)-1-propylamine|3-(4-Morpholinyl)propanamine|3-(4-Morpholinyl)propylamine|3-(Morpholin-4-yl)propylamine|3-(Morpholino)-n-propylamine|3-(N-Morpholino)-1-aminopropane|3-Amino-1-(morpholino)propane|3-morfolinopropilamina|3-morpholinopropan-1-amine|3-Morpholinopropanamine|3-Morpholinopropylamin|3-Morpholinopropylamine|4-(3-aminopropyl)-morpholine|4-(3-Aminopropyl)morpholine|4-(3'-Aminopropyl)morpholine|4-(g-Aminopropyl)morpholine|4-27-00-00411|4-Aminopropylmorpholine|4-Morpholinepropylamine|BRN 0105104|EINECS 204-590-2|gamma-Morpholinopropylamine|MORPHOLINE, 4-(3-AMINOPROPYL)-|Morpholine, N-aminopropyl-|N-(3-AMINOPROPYL)-MORPHOLIN|N-(3-Aminopropyl)morfolin|N-(3-Aminopropyl)morpholine|NSC 1081|UNII-9A09425QD6|g-Morpholinopropylamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041521
ERPathway2016 ERPathway2016_1228 4-Morpholinepropanamine 123-00-2 DTXSID4041521 ER Pathway Model, Agonist Model Score 0 Unitless NCCCN1CCOCC1 4-Morpholinepropanamine 123-00-2|4-Morpholinepropanamine|(3-Aminopropyl)morpholine|[3-(4-Morpholinyl)propan-1-yl]amine|1-Amino-3-morpholinopropane|1-Morpholino-3-aminopropane|3-(4-Morpholino)propylamine|3-(4-Morpholinyl)-1-propanamine|3-(4-Morpholinyl)-1-propylamine|3-(4-Morpholinyl)propanamine|3-(4-Morpholinyl)propylamine|3-(Morpholin-4-yl)propylamine|3-(Morpholino)-n-propylamine|3-(N-Morpholino)-1-aminopropane|3-Amino-1-(morpholino)propane|3-morfolinopropilamina|3-morpholinopropan-1-amine|3-Morpholinopropanamine|3-Morpholinopropylamin|3-Morpholinopropylamine|4-(3-aminopropyl)-morpholine|4-(3-Aminopropyl)morpholine|4-(3'-Aminopropyl)morpholine|4-(g-Aminopropyl)morpholine|4-27-00-00411|4-Aminopropylmorpholine|4-Morpholinepropylamine|BRN 0105104|EINECS 204-590-2|gamma-Morpholinopropylamine|MORPHOLINE, 4-(3-AMINOPROPYL)-|Morpholine, N-aminopropyl-|N-(3-AMINOPROPYL)-MORPHOLIN|N-(3-Aminopropyl)morfolin|N-(3-Aminopropyl)morpholine|NSC 1081|UNII-9A09425QD6|g-Morpholinopropylamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041521
ERPathway2016 ERPathway2016_1228 4-Morpholinepropanamine 123-00-2 DTXSID4041521 ER Pathway Model, Antagonist Model Score 0 Unitless NCCCN1CCOCC1 4-Morpholinepropanamine 123-00-2|4-Morpholinepropanamine|(3-Aminopropyl)morpholine|[3-(4-Morpholinyl)propan-1-yl]amine|1-Amino-3-morpholinopropane|1-Morpholino-3-aminopropane|3-(4-Morpholino)propylamine|3-(4-Morpholinyl)-1-propanamine|3-(4-Morpholinyl)-1-propylamine|3-(4-Morpholinyl)propanamine|3-(4-Morpholinyl)propylamine|3-(Morpholin-4-yl)propylamine|3-(Morpholino)-n-propylamine|3-(N-Morpholino)-1-aminopropane|3-Amino-1-(morpholino)propane|3-morfolinopropilamina|3-morpholinopropan-1-amine|3-Morpholinopropanamine|3-Morpholinopropylamin|3-Morpholinopropylamine|4-(3-aminopropyl)-morpholine|4-(3-Aminopropyl)morpholine|4-(3'-Aminopropyl)morpholine|4-(g-Aminopropyl)morpholine|4-27-00-00411|4-Aminopropylmorpholine|4-Morpholinepropylamine|BRN 0105104|EINECS 204-590-2|gamma-Morpholinopropylamine|MORPHOLINE, 4-(3-AMINOPROPYL)-|Morpholine, N-aminopropyl-|N-(3-AMINOPROPYL)-MORPHOLIN|N-(3-Aminopropyl)morfolin|N-(3-Aminopropyl)morpholine|NSC 1081|UNII-9A09425QD6|g-Morpholinopropylamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041521
ERPathway2016 ERPathway2016_1228 4-Morpholinepropanamine 123-00-2 DTXSID4041521 ER Pathway Model, Agonist Call Inactive Unitless NCCCN1CCOCC1 4-Morpholinepropanamine 123-00-2|4-Morpholinepropanamine|(3-Aminopropyl)morpholine|[3-(4-Morpholinyl)propan-1-yl]amine|1-Amino-3-morpholinopropane|1-Morpholino-3-aminopropane|3-(4-Morpholino)propylamine|3-(4-Morpholinyl)-1-propanamine|3-(4-Morpholinyl)-1-propylamine|3-(4-Morpholinyl)propanamine|3-(4-Morpholinyl)propylamine|3-(Morpholin-4-yl)propylamine|3-(Morpholino)-n-propylamine|3-(N-Morpholino)-1-aminopropane|3-Amino-1-(morpholino)propane|3-morfolinopropilamina|3-morpholinopropan-1-amine|3-Morpholinopropanamine|3-Morpholinopropylamin|3-Morpholinopropylamine|4-(3-aminopropyl)-morpholine|4-(3-Aminopropyl)morpholine|4-(3'-Aminopropyl)morpholine|4-(g-Aminopropyl)morpholine|4-27-00-00411|4-Aminopropylmorpholine|4-Morpholinepropylamine|BRN 0105104|EINECS 204-590-2|gamma-Morpholinopropylamine|MORPHOLINE, 4-(3-AMINOPROPYL)-|Morpholine, N-aminopropyl-|N-(3-AMINOPROPYL)-MORPHOLIN|N-(3-Aminopropyl)morfolin|N-(3-Aminopropyl)morpholine|NSC 1081|UNII-9A09425QD6|g-Morpholinopropylamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041521
ERPathway2016 ERPathway2016_1228 4-Morpholinepropanamine 123-00-2 DTXSID4041521 ER Pathway Model, Antagonist Call Inactive Unitless NCCCN1CCOCC1 4-Morpholinepropanamine 123-00-2|4-Morpholinepropanamine|(3-Aminopropyl)morpholine|[3-(4-Morpholinyl)propan-1-yl]amine|1-Amino-3-morpholinopropane|1-Morpholino-3-aminopropane|3-(4-Morpholino)propylamine|3-(4-Morpholinyl)-1-propanamine|3-(4-Morpholinyl)-1-propylamine|3-(4-Morpholinyl)propanamine|3-(4-Morpholinyl)propylamine|3-(Morpholin-4-yl)propylamine|3-(Morpholino)-n-propylamine|3-(N-Morpholino)-1-aminopropane|3-Amino-1-(morpholino)propane|3-morfolinopropilamina|3-morpholinopropan-1-amine|3-Morpholinopropanamine|3-Morpholinopropylamin|3-Morpholinopropylamine|4-(3-aminopropyl)-morpholine|4-(3-Aminopropyl)morpholine|4-(3'-Aminopropyl)morpholine|4-(g-Aminopropyl)morpholine|4-27-00-00411|4-Aminopropylmorpholine|4-Morpholinepropylamine|BRN 0105104|EINECS 204-590-2|gamma-Morpholinopropylamine|MORPHOLINE, 4-(3-AMINOPROPYL)-|Morpholine, N-aminopropyl-|N-(3-AMINOPROPYL)-MORPHOLIN|N-(3-Aminopropyl)morfolin|N-(3-Aminopropyl)morpholine|NSC 1081|UNII-9A09425QD6|g-Morpholinopropylamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041521
ARPathway2016 ARPathway2016_391 4-Nitrobenzenamine 100-01-6 DTXSID8020961 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrobenzenamine 100-01-6|4-Nitrobenzenamine|1-Amino-4-nitrobenzene|4-Amino-1-nitrobenzene|4-Aminonitrobenzene|4-nitraniline|4-Nitro-1-aminobenzene|4-Nitroanaline|4-Nitroanilin|4-nitroanilina|4-Nitroaniline|4-Nitrobenzenamine|4-Nitrophenylamine|Aniline, 4-nitro-|ANILINE, P-NITRO-|Azoamine Red Zh|Azofix Red GG Salt|Azoic Diazo Component 37|Benzenamine, 4-nitro-|C.I. Azoic Diazo Component 37|C.I. Developer 17|CI Azoic Diazo Component 37|CI Developer 17|Developer P|Devol Red GG|Diazo Fast Red GG|EINECS 202-810-1|Fast Red 2G Base|Fast Red 2G Salt|Fast Red Base 2J|Fast Red Base GG|Fast Red GG Base|Fast Red GG Salt|Fast Red MP Base|Fast Red P Base|Fast Red P Salt|Fast Red Salt 2J|Fast Red Salt GG|Naphtoelan Red GG Base|NCI-C60786|Nitrazol CF extra|NITROANILINE|NSC 9797|p-Aminonitrobenzene|p-Nitraniline|p-Nitroanilina|p-Nitroaniline|p-Nitrophenylamine|para-Aminonitrobenzene|para-Nitroaniline|PNA (VAN)|RCRA waste number P077|Red 2G Base|See Nitroanilines|Shinnippon Fast Red GG Base|UNII-1MRQ0QZG7G|1309774-69-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020961 https://doi.org/10.22427/NTP-DATA-DTXSID8020961
ARPathway2016 ARPathway2016_391 4-Nitrobenzenamine 100-01-6 DTXSID8020961 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrobenzenamine 100-01-6|4-Nitrobenzenamine|1-Amino-4-nitrobenzene|4-Amino-1-nitrobenzene|4-Aminonitrobenzene|4-nitraniline|4-Nitro-1-aminobenzene|4-Nitroanaline|4-Nitroanilin|4-nitroanilina|4-Nitroaniline|4-Nitrobenzenamine|4-Nitrophenylamine|Aniline, 4-nitro-|ANILINE, P-NITRO-|Azoamine Red Zh|Azofix Red GG Salt|Azoic Diazo Component 37|Benzenamine, 4-nitro-|C.I. Azoic Diazo Component 37|C.I. Developer 17|CI Azoic Diazo Component 37|CI Developer 17|Developer P|Devol Red GG|Diazo Fast Red GG|EINECS 202-810-1|Fast Red 2G Base|Fast Red 2G Salt|Fast Red Base 2J|Fast Red Base GG|Fast Red GG Base|Fast Red GG Salt|Fast Red MP Base|Fast Red P Base|Fast Red P Salt|Fast Red Salt 2J|Fast Red Salt GG|Naphtoelan Red GG Base|NCI-C60786|Nitrazol CF extra|NITROANILINE|NSC 9797|p-Aminonitrobenzene|p-Nitraniline|p-Nitroanilina|p-Nitroaniline|p-Nitrophenylamine|para-Aminonitrobenzene|para-Nitroaniline|PNA (VAN)|RCRA waste number P077|Red 2G Base|See Nitroanilines|Shinnippon Fast Red GG Base|UNII-1MRQ0QZG7G|1309774-69-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020961 https://doi.org/10.22427/NTP-DATA-DTXSID8020961
ARPathway2016 ARPathway2016_391 4-Nitrobenzenamine 100-01-6 DTXSID8020961 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrobenzenamine 100-01-6|4-Nitrobenzenamine|1-Amino-4-nitrobenzene|4-Amino-1-nitrobenzene|4-Aminonitrobenzene|4-nitraniline|4-Nitro-1-aminobenzene|4-Nitroanaline|4-Nitroanilin|4-nitroanilina|4-Nitroaniline|4-Nitrobenzenamine|4-Nitrophenylamine|Aniline, 4-nitro-|ANILINE, P-NITRO-|Azoamine Red Zh|Azofix Red GG Salt|Azoic Diazo Component 37|Benzenamine, 4-nitro-|C.I. Azoic Diazo Component 37|C.I. Developer 17|CI Azoic Diazo Component 37|CI Developer 17|Developer P|Devol Red GG|Diazo Fast Red GG|EINECS 202-810-1|Fast Red 2G Base|Fast Red 2G Salt|Fast Red Base 2J|Fast Red Base GG|Fast Red GG Base|Fast Red GG Salt|Fast Red MP Base|Fast Red P Base|Fast Red P Salt|Fast Red Salt 2J|Fast Red Salt GG|Naphtoelan Red GG Base|NCI-C60786|Nitrazol CF extra|NITROANILINE|NSC 9797|p-Aminonitrobenzene|p-Nitraniline|p-Nitroanilina|p-Nitroaniline|p-Nitrophenylamine|para-Aminonitrobenzene|para-Nitroaniline|PNA (VAN)|RCRA waste number P077|Red 2G Base|See Nitroanilines|Shinnippon Fast Red GG Base|UNII-1MRQ0QZG7G|1309774-69-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020961 https://doi.org/10.22427/NTP-DATA-DTXSID8020961
ARPathway2016 ARPathway2016_391 4-Nitrobenzenamine 100-01-6 DTXSID8020961 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrobenzenamine 100-01-6|4-Nitrobenzenamine|1-Amino-4-nitrobenzene|4-Amino-1-nitrobenzene|4-Aminonitrobenzene|4-nitraniline|4-Nitro-1-aminobenzene|4-Nitroanaline|4-Nitroanilin|4-nitroanilina|4-Nitroaniline|4-Nitrobenzenamine|4-Nitrophenylamine|Aniline, 4-nitro-|ANILINE, P-NITRO-|Azoamine Red Zh|Azofix Red GG Salt|Azoic Diazo Component 37|Benzenamine, 4-nitro-|C.I. Azoic Diazo Component 37|C.I. Developer 17|CI Azoic Diazo Component 37|CI Developer 17|Developer P|Devol Red GG|Diazo Fast Red GG|EINECS 202-810-1|Fast Red 2G Base|Fast Red 2G Salt|Fast Red Base 2J|Fast Red Base GG|Fast Red GG Base|Fast Red GG Salt|Fast Red MP Base|Fast Red P Base|Fast Red P Salt|Fast Red Salt 2J|Fast Red Salt GG|Naphtoelan Red GG Base|NCI-C60786|Nitrazol CF extra|NITROANILINE|NSC 9797|p-Aminonitrobenzene|p-Nitraniline|p-Nitroanilina|p-Nitroaniline|p-Nitrophenylamine|para-Aminonitrobenzene|para-Nitroaniline|PNA (VAN)|RCRA waste number P077|Red 2G Base|See Nitroanilines|Shinnippon Fast Red GG Base|UNII-1MRQ0QZG7G|1309774-69-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020961 https://doi.org/10.22427/NTP-DATA-DTXSID8020961
ERPathway2016 ERPathway2016_670 4-Nitrobenzenamine 100-01-6 DTXSID8020961 A17 ER Pathway Model, Agonist Model Score 0 Unitless NC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrobenzenamine 100-01-6|4-Nitrobenzenamine|1-Amino-4-nitrobenzene|4-Amino-1-nitrobenzene|4-Aminonitrobenzene|4-nitraniline|4-Nitro-1-aminobenzene|4-Nitroanaline|4-Nitroanilin|4-nitroanilina|4-Nitroaniline|4-Nitrobenzenamine|4-Nitrophenylamine|Aniline, 4-nitro-|ANILINE, P-NITRO-|Azoamine Red Zh|Azofix Red GG Salt|Azoic Diazo Component 37|Benzenamine, 4-nitro-|C.I. Azoic Diazo Component 37|C.I. Developer 17|CI Azoic Diazo Component 37|CI Developer 17|Developer P|Devol Red GG|Diazo Fast Red GG|EINECS 202-810-1|Fast Red 2G Base|Fast Red 2G Salt|Fast Red Base 2J|Fast Red Base GG|Fast Red GG Base|Fast Red GG Salt|Fast Red MP Base|Fast Red P Base|Fast Red P Salt|Fast Red Salt 2J|Fast Red Salt GG|Naphtoelan Red GG Base|NCI-C60786|Nitrazol CF extra|NITROANILINE|NSC 9797|p-Aminonitrobenzene|p-Nitraniline|p-Nitroanilina|p-Nitroaniline|p-Nitrophenylamine|para-Aminonitrobenzene|para-Nitroaniline|PNA (VAN)|RCRA waste number P077|Red 2G Base|See Nitroanilines|Shinnippon Fast Red GG Base|UNII-1MRQ0QZG7G|1309774-69-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020961 https://doi.org/10.22427/NTP-DATA-DTXSID8020961
ERPathway2016 ERPathway2016_670 4-Nitrobenzenamine 100-01-6 DTXSID8020961 A17 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrobenzenamine 100-01-6|4-Nitrobenzenamine|1-Amino-4-nitrobenzene|4-Amino-1-nitrobenzene|4-Aminonitrobenzene|4-nitraniline|4-Nitro-1-aminobenzene|4-Nitroanaline|4-Nitroanilin|4-nitroanilina|4-Nitroaniline|4-Nitrobenzenamine|4-Nitrophenylamine|Aniline, 4-nitro-|ANILINE, P-NITRO-|Azoamine Red Zh|Azofix Red GG Salt|Azoic Diazo Component 37|Benzenamine, 4-nitro-|C.I. Azoic Diazo Component 37|C.I. Developer 17|CI Azoic Diazo Component 37|CI Developer 17|Developer P|Devol Red GG|Diazo Fast Red GG|EINECS 202-810-1|Fast Red 2G Base|Fast Red 2G Salt|Fast Red Base 2J|Fast Red Base GG|Fast Red GG Base|Fast Red GG Salt|Fast Red MP Base|Fast Red P Base|Fast Red P Salt|Fast Red Salt 2J|Fast Red Salt GG|Naphtoelan Red GG Base|NCI-C60786|Nitrazol CF extra|NITROANILINE|NSC 9797|p-Aminonitrobenzene|p-Nitraniline|p-Nitroanilina|p-Nitroaniline|p-Nitrophenylamine|para-Aminonitrobenzene|para-Nitroaniline|PNA (VAN)|RCRA waste number P077|Red 2G Base|See Nitroanilines|Shinnippon Fast Red GG Base|UNII-1MRQ0QZG7G|1309774-69-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020961 https://doi.org/10.22427/NTP-DATA-DTXSID8020961
ERPathway2016 ERPathway2016_670 4-Nitrobenzenamine 100-01-6 DTXSID8020961 A17 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrobenzenamine 100-01-6|4-Nitrobenzenamine|1-Amino-4-nitrobenzene|4-Amino-1-nitrobenzene|4-Aminonitrobenzene|4-nitraniline|4-Nitro-1-aminobenzene|4-Nitroanaline|4-Nitroanilin|4-nitroanilina|4-Nitroaniline|4-Nitrobenzenamine|4-Nitrophenylamine|Aniline, 4-nitro-|ANILINE, P-NITRO-|Azoamine Red Zh|Azofix Red GG Salt|Azoic Diazo Component 37|Benzenamine, 4-nitro-|C.I. Azoic Diazo Component 37|C.I. Developer 17|CI Azoic Diazo Component 37|CI Developer 17|Developer P|Devol Red GG|Diazo Fast Red GG|EINECS 202-810-1|Fast Red 2G Base|Fast Red 2G Salt|Fast Red Base 2J|Fast Red Base GG|Fast Red GG Base|Fast Red GG Salt|Fast Red MP Base|Fast Red P Base|Fast Red P Salt|Fast Red Salt 2J|Fast Red Salt GG|Naphtoelan Red GG Base|NCI-C60786|Nitrazol CF extra|NITROANILINE|NSC 9797|p-Aminonitrobenzene|p-Nitraniline|p-Nitroanilina|p-Nitroaniline|p-Nitrophenylamine|para-Aminonitrobenzene|para-Nitroaniline|PNA (VAN)|RCRA waste number P077|Red 2G Base|See Nitroanilines|Shinnippon Fast Red GG Base|UNII-1MRQ0QZG7G|1309774-69-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020961 https://doi.org/10.22427/NTP-DATA-DTXSID8020961
ERPathway2016 ERPathway2016_670 4-Nitrobenzenamine 100-01-6 DTXSID8020961 A17 ER Pathway Model, Antagonist Call Inactive Unitless NC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrobenzenamine 100-01-6|4-Nitrobenzenamine|1-Amino-4-nitrobenzene|4-Amino-1-nitrobenzene|4-Aminonitrobenzene|4-nitraniline|4-Nitro-1-aminobenzene|4-Nitroanaline|4-Nitroanilin|4-nitroanilina|4-Nitroaniline|4-Nitrobenzenamine|4-Nitrophenylamine|Aniline, 4-nitro-|ANILINE, P-NITRO-|Azoamine Red Zh|Azofix Red GG Salt|Azoic Diazo Component 37|Benzenamine, 4-nitro-|C.I. Azoic Diazo Component 37|C.I. Developer 17|CI Azoic Diazo Component 37|CI Developer 17|Developer P|Devol Red GG|Diazo Fast Red GG|EINECS 202-810-1|Fast Red 2G Base|Fast Red 2G Salt|Fast Red Base 2J|Fast Red Base GG|Fast Red GG Base|Fast Red GG Salt|Fast Red MP Base|Fast Red P Base|Fast Red P Salt|Fast Red Salt 2J|Fast Red Salt GG|Naphtoelan Red GG Base|NCI-C60786|Nitrazol CF extra|NITROANILINE|NSC 9797|p-Aminonitrobenzene|p-Nitraniline|p-Nitroanilina|p-Nitroaniline|p-Nitrophenylamine|para-Aminonitrobenzene|para-Nitroaniline|PNA (VAN)|RCRA waste number P077|Red 2G Base|See Nitroanilines|Shinnippon Fast Red GG Base|UNII-1MRQ0QZG7G|1309774-69-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020961 https://doi.org/10.22427/NTP-DATA-DTXSID8020961
ARPathway2016 ARPathway2016_1409 4-Nitrobenzoic acid 62-23-7 DTXSID3020966 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC=C(C=C1)[N+]([O-])=O 4-Nitrobenzoic acid 62-23-7|4-Nitrobenzoic acid|1-Carboxy-4-nitrobenzene|4-Nitrobenzoesaure|4-Nitrodracylic acid|Acide 4-nitrobenzoique|acido 4-nitrobenzoico|Benzoic acid, 4-nitro-|Benzoic acid, p-nitro-|EINECS 200-526-2|Kyselina p-nitrobenzoova|Nitrodracylic acid|NSC 7707|p-Carboxynitrobenzene|p-Nitrobenzenecarboxylic acid|p-Nitrobenzoic acid|p-Nitrodracylic acid|UNII-G83NWR61OW|29788-29-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020966 https://doi.org/10.22427/NTP-DATA-DTXSID3020966
ARPathway2016 ARPathway2016_1409 4-Nitrobenzoic acid 62-23-7 DTXSID3020966 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC=C(C=C1)[N+]([O-])=O 4-Nitrobenzoic acid 62-23-7|4-Nitrobenzoic acid|1-Carboxy-4-nitrobenzene|4-Nitrobenzoesaure|4-Nitrodracylic acid|Acide 4-nitrobenzoique|acido 4-nitrobenzoico|Benzoic acid, 4-nitro-|Benzoic acid, p-nitro-|EINECS 200-526-2|Kyselina p-nitrobenzoova|Nitrodracylic acid|NSC 7707|p-Carboxynitrobenzene|p-Nitrobenzenecarboxylic acid|p-Nitrobenzoic acid|p-Nitrodracylic acid|UNII-G83NWR61OW|29788-29-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020966 https://doi.org/10.22427/NTP-DATA-DTXSID3020966
ARPathway2016 ARPathway2016_1409 4-Nitrobenzoic acid 62-23-7 DTXSID3020966 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC=C(C=C1)[N+]([O-])=O 4-Nitrobenzoic acid 62-23-7|4-Nitrobenzoic acid|1-Carboxy-4-nitrobenzene|4-Nitrobenzoesaure|4-Nitrodracylic acid|Acide 4-nitrobenzoique|acido 4-nitrobenzoico|Benzoic acid, 4-nitro-|Benzoic acid, p-nitro-|EINECS 200-526-2|Kyselina p-nitrobenzoova|Nitrodracylic acid|NSC 7707|p-Carboxynitrobenzene|p-Nitrobenzenecarboxylic acid|p-Nitrobenzoic acid|p-Nitrodracylic acid|UNII-G83NWR61OW|29788-29-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020966 https://doi.org/10.22427/NTP-DATA-DTXSID3020966
ARPathway2016 ARPathway2016_1409 4-Nitrobenzoic acid 62-23-7 DTXSID3020966 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC=C(C=C1)[N+]([O-])=O 4-Nitrobenzoic acid 62-23-7|4-Nitrobenzoic acid|1-Carboxy-4-nitrobenzene|4-Nitrobenzoesaure|4-Nitrodracylic acid|Acide 4-nitrobenzoique|acido 4-nitrobenzoico|Benzoic acid, 4-nitro-|Benzoic acid, p-nitro-|EINECS 200-526-2|Kyselina p-nitrobenzoova|Nitrodracylic acid|NSC 7707|p-Carboxynitrobenzene|p-Nitrobenzenecarboxylic acid|p-Nitrobenzoic acid|p-Nitrodracylic acid|UNII-G83NWR61OW|29788-29-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020966 https://doi.org/10.22427/NTP-DATA-DTXSID3020966
ERPathway2016 ERPathway2016_1577 4-Nitrobenzoic acid 62-23-7 DTXSID3020966 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC=C(C=C1)[N+]([O-])=O 4-Nitrobenzoic acid 62-23-7|4-Nitrobenzoic acid|1-Carboxy-4-nitrobenzene|4-Nitrobenzoesaure|4-Nitrodracylic acid|Acide 4-nitrobenzoique|acido 4-nitrobenzoico|Benzoic acid, 4-nitro-|Benzoic acid, p-nitro-|EINECS 200-526-2|Kyselina p-nitrobenzoova|Nitrodracylic acid|NSC 7707|p-Carboxynitrobenzene|p-Nitrobenzenecarboxylic acid|p-Nitrobenzoic acid|p-Nitrodracylic acid|UNII-G83NWR61OW|29788-29-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020966 https://doi.org/10.22427/NTP-DATA-DTXSID3020966
ERPathway2016 ERPathway2016_1577 4-Nitrobenzoic acid 62-23-7 DTXSID3020966 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC=C(C=C1)[N+]([O-])=O 4-Nitrobenzoic acid 62-23-7|4-Nitrobenzoic acid|1-Carboxy-4-nitrobenzene|4-Nitrobenzoesaure|4-Nitrodracylic acid|Acide 4-nitrobenzoique|acido 4-nitrobenzoico|Benzoic acid, 4-nitro-|Benzoic acid, p-nitro-|EINECS 200-526-2|Kyselina p-nitrobenzoova|Nitrodracylic acid|NSC 7707|p-Carboxynitrobenzene|p-Nitrobenzenecarboxylic acid|p-Nitrobenzoic acid|p-Nitrodracylic acid|UNII-G83NWR61OW|29788-29-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020966 https://doi.org/10.22427/NTP-DATA-DTXSID3020966
ERPathway2016 ERPathway2016_1577 4-Nitrobenzoic acid 62-23-7 DTXSID3020966 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC=C(C=C1)[N+]([O-])=O 4-Nitrobenzoic acid 62-23-7|4-Nitrobenzoic acid|1-Carboxy-4-nitrobenzene|4-Nitrobenzoesaure|4-Nitrodracylic acid|Acide 4-nitrobenzoique|acido 4-nitrobenzoico|Benzoic acid, 4-nitro-|Benzoic acid, p-nitro-|EINECS 200-526-2|Kyselina p-nitrobenzoova|Nitrodracylic acid|NSC 7707|p-Carboxynitrobenzene|p-Nitrobenzenecarboxylic acid|p-Nitrobenzoic acid|p-Nitrodracylic acid|UNII-G83NWR61OW|29788-29-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020966 https://doi.org/10.22427/NTP-DATA-DTXSID3020966
ERPathway2016 ERPathway2016_1577 4-Nitrobenzoic acid 62-23-7 DTXSID3020966 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC=C(C=C1)[N+]([O-])=O 4-Nitrobenzoic acid 62-23-7|4-Nitrobenzoic acid|1-Carboxy-4-nitrobenzene|4-Nitrobenzoesaure|4-Nitrodracylic acid|Acide 4-nitrobenzoique|acido 4-nitrobenzoico|Benzoic acid, 4-nitro-|Benzoic acid, p-nitro-|EINECS 200-526-2|Kyselina p-nitrobenzoova|Nitrodracylic acid|NSC 7707|p-Carboxynitrobenzene|p-Nitrobenzenecarboxylic acid|p-Nitrobenzoic acid|p-Nitrodracylic acid|UNII-G83NWR61OW|29788-29-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020966 https://doi.org/10.22427/NTP-DATA-DTXSID3020966
ARPathway2016 ARPathway2016_392 4-Nitrophenol 100-02-7 DTXSID0021834 1.0 R6 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrophenol 100-02-7|4-Nitrophenol|1-Hydroxy-4-nitrobenzene|4-Hydroxy-1-nitrobenzene|4-Hydroxynitrobenzene|4-nitrofenol|Caswell No. 603|EINECS 202-811-7|EPA Pesticide Chemical Code 056301|Mononitrophenol|NCI-C55992|NSC 1317|p-Hydroxynitrobenzene|p-Nitrofenol|p-Nitrophenol|Paranitrofenol|Paranitrofenolo|paranitrophenol|Phenol, 4-nitro-|Phenol, p-nitro-|RCRA waste number U170|UNII-Y92ZL45L4R|856824-67-4|856824-71-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021834 https://doi.org/10.22427/NTP-DATA-DTXSID0021834
ARPathway2016 ARPathway2016_392 4-Nitrophenol 100-02-7 DTXSID0021834 1.0 R6 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrophenol 100-02-7|4-Nitrophenol|1-Hydroxy-4-nitrobenzene|4-Hydroxy-1-nitrobenzene|4-Hydroxynitrobenzene|4-nitrofenol|Caswell No. 603|EINECS 202-811-7|EPA Pesticide Chemical Code 056301|Mononitrophenol|NCI-C55992|NSC 1317|p-Hydroxynitrobenzene|p-Nitrofenol|p-Nitrophenol|Paranitrofenol|Paranitrofenolo|paranitrophenol|Phenol, 4-nitro-|Phenol, p-nitro-|RCRA waste number U170|UNII-Y92ZL45L4R|856824-67-4|856824-71-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021834 https://doi.org/10.22427/NTP-DATA-DTXSID0021834
ARPathway2016 ARPathway2016_392 4-Nitrophenol 100-02-7 DTXSID0021834 1.0 R6 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrophenol 100-02-7|4-Nitrophenol|1-Hydroxy-4-nitrobenzene|4-Hydroxy-1-nitrobenzene|4-Hydroxynitrobenzene|4-nitrofenol|Caswell No. 603|EINECS 202-811-7|EPA Pesticide Chemical Code 056301|Mononitrophenol|NCI-C55992|NSC 1317|p-Hydroxynitrobenzene|p-Nitrofenol|p-Nitrophenol|Paranitrofenol|Paranitrofenolo|paranitrophenol|Phenol, 4-nitro-|Phenol, p-nitro-|RCRA waste number U170|UNII-Y92ZL45L4R|856824-67-4|856824-71-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021834 https://doi.org/10.22427/NTP-DATA-DTXSID0021834
ARPathway2016 ARPathway2016_392 4-Nitrophenol 100-02-7 DTXSID0021834 1.0 R6 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrophenol 100-02-7|4-Nitrophenol|1-Hydroxy-4-nitrobenzene|4-Hydroxy-1-nitrobenzene|4-Hydroxynitrobenzene|4-nitrofenol|Caswell No. 603|EINECS 202-811-7|EPA Pesticide Chemical Code 056301|Mononitrophenol|NCI-C55992|NSC 1317|p-Hydroxynitrobenzene|p-Nitrofenol|p-Nitrophenol|Paranitrofenol|Paranitrofenolo|paranitrophenol|Phenol, 4-nitro-|Phenol, p-nitro-|RCRA waste number U170|UNII-Y92ZL45L4R|856824-67-4|856824-71-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021834 https://doi.org/10.22427/NTP-DATA-DTXSID0021834
ERPathway2016 ERPathway2016_1052 4-Nitrophenol 100-02-7 DTXSID0021834 ER Pathway Model, Agonist Model Score 0 Unitless OC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrophenol 100-02-7|4-Nitrophenol|1-Hydroxy-4-nitrobenzene|4-Hydroxy-1-nitrobenzene|4-Hydroxynitrobenzene|4-nitrofenol|Caswell No. 603|EINECS 202-811-7|EPA Pesticide Chemical Code 056301|Mononitrophenol|NCI-C55992|NSC 1317|p-Hydroxynitrobenzene|p-Nitrofenol|p-Nitrophenol|Paranitrofenol|Paranitrofenolo|paranitrophenol|Phenol, 4-nitro-|Phenol, p-nitro-|RCRA waste number U170|UNII-Y92ZL45L4R|856824-67-4|856824-71-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021834 https://doi.org/10.22427/NTP-DATA-DTXSID0021834
ERPathway2016 ERPathway2016_1052 4-Nitrophenol 100-02-7 DTXSID0021834 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrophenol 100-02-7|4-Nitrophenol|1-Hydroxy-4-nitrobenzene|4-Hydroxy-1-nitrobenzene|4-Hydroxynitrobenzene|4-nitrofenol|Caswell No. 603|EINECS 202-811-7|EPA Pesticide Chemical Code 056301|Mononitrophenol|NCI-C55992|NSC 1317|p-Hydroxynitrobenzene|p-Nitrofenol|p-Nitrophenol|Paranitrofenol|Paranitrofenolo|paranitrophenol|Phenol, 4-nitro-|Phenol, p-nitro-|RCRA waste number U170|UNII-Y92ZL45L4R|856824-67-4|856824-71-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021834 https://doi.org/10.22427/NTP-DATA-DTXSID0021834
ERPathway2016 ERPathway2016_1052 4-Nitrophenol 100-02-7 DTXSID0021834 ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrophenol 100-02-7|4-Nitrophenol|1-Hydroxy-4-nitrobenzene|4-Hydroxy-1-nitrobenzene|4-Hydroxynitrobenzene|4-nitrofenol|Caswell No. 603|EINECS 202-811-7|EPA Pesticide Chemical Code 056301|Mononitrophenol|NCI-C55992|NSC 1317|p-Hydroxynitrobenzene|p-Nitrofenol|p-Nitrophenol|Paranitrofenol|Paranitrofenolo|paranitrophenol|Phenol, 4-nitro-|Phenol, p-nitro-|RCRA waste number U170|UNII-Y92ZL45L4R|856824-67-4|856824-71-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021834 https://doi.org/10.22427/NTP-DATA-DTXSID0021834
ERPathway2016 ERPathway2016_1052 4-Nitrophenol 100-02-7 DTXSID0021834 ER Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrophenol 100-02-7|4-Nitrophenol|1-Hydroxy-4-nitrobenzene|4-Hydroxy-1-nitrobenzene|4-Hydroxynitrobenzene|4-nitrofenol|Caswell No. 603|EINECS 202-811-7|EPA Pesticide Chemical Code 056301|Mononitrophenol|NCI-C55992|NSC 1317|p-Hydroxynitrobenzene|p-Nitrofenol|p-Nitrophenol|Paranitrofenol|Paranitrofenolo|paranitrophenol|Phenol, 4-nitro-|Phenol, p-nitro-|RCRA waste number U170|UNII-Y92ZL45L4R|856824-67-4|856824-71-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021834 https://doi.org/10.22427/NTP-DATA-DTXSID0021834
ARPathway2016 ARPathway2016_85 4-Nitrosodiphenylamine 156-10-5 DTXSID1021031 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 10.97693544 uM O=NC1=CC=C(NC2=CC=CC=C2)C=C1 4-Nitrosodiphenylamine 156-10-5|4-Nitrosodiphenylamine|4-12-00-01560|4-Nitroso-N-phenyl-benzenamine|Amine, diphenyl, 4-nitroso-|Benzenamine, 4-nitroso-N-phenyl-|BRN 1952651|EINECS 205-848-7|N-Phenyl-p-nitrosoaniline|N-Phenyl-para-nitrosoaniline|Naugard TKB|NCI-C02244|NSC 5041|p-Nitroso-N-phenylaniline|p-Nitrosodifenylamin|p-Nitrosodiphenylamine|p-Phenylaminonitrosobenzene|para-Nitroso-N-phenylaniline|para-Nitrosodiphenylamine|UNII-F7052989CV https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021031 https://doi.org/10.22427/NTP-DATA-DTXSID1021031
ARPathway2016 ARPathway2016_85 4-Nitrosodiphenylamine 156-10-5 DTXSID1021031 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 9.83890930671582 uM O=NC1=CC=C(NC2=CC=CC=C2)C=C1 4-Nitrosodiphenylamine 156-10-5|4-Nitrosodiphenylamine|4-12-00-01560|4-Nitroso-N-phenyl-benzenamine|Amine, diphenyl, 4-nitroso-|Benzenamine, 4-nitroso-N-phenyl-|BRN 1952651|EINECS 205-848-7|N-Phenyl-p-nitrosoaniline|N-Phenyl-para-nitrosoaniline|Naugard TKB|NCI-C02244|NSC 5041|p-Nitroso-N-phenylaniline|p-Nitrosodifenylamin|p-Nitrosodiphenylamine|p-Phenylaminonitrosobenzene|para-Nitroso-N-phenylaniline|para-Nitrosodiphenylamine|UNII-F7052989CV https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021031 https://doi.org/10.22427/NTP-DATA-DTXSID1021031
ARPathway2016 ARPathway2016_85 4-Nitrosodiphenylamine 156-10-5 DTXSID1021031 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.155 Unitless O=NC1=CC=C(NC2=CC=CC=C2)C=C1 4-Nitrosodiphenylamine 156-10-5|4-Nitrosodiphenylamine|4-12-00-01560|4-Nitroso-N-phenyl-benzenamine|Amine, diphenyl, 4-nitroso-|Benzenamine, 4-nitroso-N-phenyl-|BRN 1952651|EINECS 205-848-7|N-Phenyl-p-nitrosoaniline|N-Phenyl-para-nitrosoaniline|Naugard TKB|NCI-C02244|NSC 5041|p-Nitroso-N-phenylaniline|p-Nitrosodifenylamin|p-Nitrosodiphenylamine|p-Phenylaminonitrosobenzene|para-Nitroso-N-phenylaniline|para-Nitrosodiphenylamine|UNII-F7052989CV https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021031 https://doi.org/10.22427/NTP-DATA-DTXSID1021031
ARPathway2016 ARPathway2016_85 4-Nitrosodiphenylamine 156-10-5 DTXSID1021031 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0.0167 Unitless O=NC1=CC=C(NC2=CC=CC=C2)C=C1 4-Nitrosodiphenylamine 156-10-5|4-Nitrosodiphenylamine|4-12-00-01560|4-Nitroso-N-phenyl-benzenamine|Amine, diphenyl, 4-nitroso-|Benzenamine, 4-nitroso-N-phenyl-|BRN 1952651|EINECS 205-848-7|N-Phenyl-p-nitrosoaniline|N-Phenyl-para-nitrosoaniline|Naugard TKB|NCI-C02244|NSC 5041|p-Nitroso-N-phenylaniline|p-Nitrosodifenylamin|p-Nitrosodiphenylamine|p-Phenylaminonitrosobenzene|para-Nitroso-N-phenylaniline|para-Nitrosodiphenylamine|UNII-F7052989CV https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021031 https://doi.org/10.22427/NTP-DATA-DTXSID1021031
ARPathway2016 ARPathway2016_85 4-Nitrosodiphenylamine 156-10-5 DTXSID1021031 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless O=NC1=CC=C(NC2=CC=CC=C2)C=C1 4-Nitrosodiphenylamine 156-10-5|4-Nitrosodiphenylamine|4-12-00-01560|4-Nitroso-N-phenyl-benzenamine|Amine, diphenyl, 4-nitroso-|Benzenamine, 4-nitroso-N-phenyl-|BRN 1952651|EINECS 205-848-7|N-Phenyl-p-nitrosoaniline|N-Phenyl-para-nitrosoaniline|Naugard TKB|NCI-C02244|NSC 5041|p-Nitroso-N-phenylaniline|p-Nitrosodifenylamin|p-Nitrosodiphenylamine|p-Phenylaminonitrosobenzene|para-Nitroso-N-phenylaniline|para-Nitrosodiphenylamine|UNII-F7052989CV https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021031 https://doi.org/10.22427/NTP-DATA-DTXSID1021031
ARPathway2016 ARPathway2016_85 4-Nitrosodiphenylamine 156-10-5 DTXSID1021031 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless O=NC1=CC=C(NC2=CC=CC=C2)C=C1 4-Nitrosodiphenylamine 156-10-5|4-Nitrosodiphenylamine|4-12-00-01560|4-Nitroso-N-phenyl-benzenamine|Amine, diphenyl, 4-nitroso-|Benzenamine, 4-nitroso-N-phenyl-|BRN 1952651|EINECS 205-848-7|N-Phenyl-p-nitrosoaniline|N-Phenyl-para-nitrosoaniline|Naugard TKB|NCI-C02244|NSC 5041|p-Nitroso-N-phenylaniline|p-Nitrosodifenylamin|p-Nitrosodiphenylamine|p-Phenylaminonitrosobenzene|para-Nitroso-N-phenylaniline|para-Nitrosodiphenylamine|UNII-F7052989CV https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021031 https://doi.org/10.22427/NTP-DATA-DTXSID1021031
ERPathway2016 ERPathway2016_313 4-Nitrosodiphenylamine 156-10-5 DTXSID1021031 ER Pathway Model, Antagonist AC50 37.0851239667606 uM O=NC1=CC=C(NC2=CC=CC=C2)C=C1 4-Nitrosodiphenylamine 156-10-5|4-Nitrosodiphenylamine|4-12-00-01560|4-Nitroso-N-phenyl-benzenamine|Amine, diphenyl, 4-nitroso-|Benzenamine, 4-nitroso-N-phenyl-|BRN 1952651|EINECS 205-848-7|N-Phenyl-p-nitrosoaniline|N-Phenyl-para-nitrosoaniline|Naugard TKB|NCI-C02244|NSC 5041|p-Nitroso-N-phenylaniline|p-Nitrosodifenylamin|p-Nitrosodiphenylamine|p-Phenylaminonitrosobenzene|para-Nitroso-N-phenylaniline|para-Nitrosodiphenylamine|UNII-F7052989CV https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021031 https://doi.org/10.22427/NTP-DATA-DTXSID1021031
ERPathway2016 ERPathway2016_313 4-Nitrosodiphenylamine 156-10-5 DTXSID1021031 ER Pathway Model, Antagonist ACC 34.3169705461083 uM O=NC1=CC=C(NC2=CC=CC=C2)C=C1 4-Nitrosodiphenylamine 156-10-5|4-Nitrosodiphenylamine|4-12-00-01560|4-Nitroso-N-phenyl-benzenamine|Amine, diphenyl, 4-nitroso-|Benzenamine, 4-nitroso-N-phenyl-|BRN 1952651|EINECS 205-848-7|N-Phenyl-p-nitrosoaniline|N-Phenyl-para-nitrosoaniline|Naugard TKB|NCI-C02244|NSC 5041|p-Nitroso-N-phenylaniline|p-Nitrosodifenylamin|p-Nitrosodiphenylamine|p-Phenylaminonitrosobenzene|para-Nitroso-N-phenylaniline|para-Nitrosodiphenylamine|UNII-F7052989CV https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021031 https://doi.org/10.22427/NTP-DATA-DTXSID1021031
ERPathway2016 ERPathway2016_313 4-Nitrosodiphenylamine 156-10-5 DTXSID1021031 ER Pathway Model, Agonist Model Score 0.028 Unitless O=NC1=CC=C(NC2=CC=CC=C2)C=C1 4-Nitrosodiphenylamine 156-10-5|4-Nitrosodiphenylamine|4-12-00-01560|4-Nitroso-N-phenyl-benzenamine|Amine, diphenyl, 4-nitroso-|Benzenamine, 4-nitroso-N-phenyl-|BRN 1952651|EINECS 205-848-7|N-Phenyl-p-nitrosoaniline|N-Phenyl-para-nitrosoaniline|Naugard TKB|NCI-C02244|NSC 5041|p-Nitroso-N-phenylaniline|p-Nitrosodifenylamin|p-Nitrosodiphenylamine|p-Phenylaminonitrosobenzene|para-Nitroso-N-phenylaniline|para-Nitrosodiphenylamine|UNII-F7052989CV https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021031 https://doi.org/10.22427/NTP-DATA-DTXSID1021031
ERPathway2016 ERPathway2016_313 4-Nitrosodiphenylamine 156-10-5 DTXSID1021031 ER Pathway Model, Antagonist Model Score 0.0138 Unitless O=NC1=CC=C(NC2=CC=CC=C2)C=C1 4-Nitrosodiphenylamine 156-10-5|4-Nitrosodiphenylamine|4-12-00-01560|4-Nitroso-N-phenyl-benzenamine|Amine, diphenyl, 4-nitroso-|Benzenamine, 4-nitroso-N-phenyl-|BRN 1952651|EINECS 205-848-7|N-Phenyl-p-nitrosoaniline|N-Phenyl-para-nitrosoaniline|Naugard TKB|NCI-C02244|NSC 5041|p-Nitroso-N-phenylaniline|p-Nitrosodifenylamin|p-Nitrosodiphenylamine|p-Phenylaminonitrosobenzene|para-Nitroso-N-phenylaniline|para-Nitrosodiphenylamine|UNII-F7052989CV https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021031 https://doi.org/10.22427/NTP-DATA-DTXSID1021031
ERPathway2016 ERPathway2016_313 4-Nitrosodiphenylamine 156-10-5 DTXSID1021031 ER Pathway Model, Agonist Call Inactive Unitless O=NC1=CC=C(NC2=CC=CC=C2)C=C1 4-Nitrosodiphenylamine 156-10-5|4-Nitrosodiphenylamine|4-12-00-01560|4-Nitroso-N-phenyl-benzenamine|Amine, diphenyl, 4-nitroso-|Benzenamine, 4-nitroso-N-phenyl-|BRN 1952651|EINECS 205-848-7|N-Phenyl-p-nitrosoaniline|N-Phenyl-para-nitrosoaniline|Naugard TKB|NCI-C02244|NSC 5041|p-Nitroso-N-phenylaniline|p-Nitrosodifenylamin|p-Nitrosodiphenylamine|p-Phenylaminonitrosobenzene|para-Nitroso-N-phenylaniline|para-Nitrosodiphenylamine|UNII-F7052989CV https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021031 https://doi.org/10.22427/NTP-DATA-DTXSID1021031
ERPathway2016 ERPathway2016_313 4-Nitrosodiphenylamine 156-10-5 DTXSID1021031 ER Pathway Model, Antagonist Call Active Unitless O=NC1=CC=C(NC2=CC=CC=C2)C=C1 4-Nitrosodiphenylamine 156-10-5|4-Nitrosodiphenylamine|4-12-00-01560|4-Nitroso-N-phenyl-benzenamine|Amine, diphenyl, 4-nitroso-|Benzenamine, 4-nitroso-N-phenyl-|BRN 1952651|EINECS 205-848-7|N-Phenyl-p-nitrosoaniline|N-Phenyl-para-nitrosoaniline|Naugard TKB|NCI-C02244|NSC 5041|p-Nitroso-N-phenylaniline|p-Nitrosodifenylamin|p-Nitrosodiphenylamine|p-Phenylaminonitrosobenzene|para-Nitroso-N-phenylaniline|para-Nitrosodiphenylamine|UNII-F7052989CV https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021031 https://doi.org/10.22427/NTP-DATA-DTXSID1021031
ARPathway2016 ARPathway2016_1831 4-Nitrotoluene 99-99-0 DTXSID5023792 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrotoluene 99-99-0|4-Nitrotoluene|1-Methyl-4-nitrobenzene|4-Methyl-1-nitrobenzene|4-Methylnitrobenzene|4-nitrotolueno|4-Nitrotoluol|Benzene, 1-methyl-4-nitro-|EINECS 202-808-0|NCI 9579|NCI-C60537|Nitrotoluenos|NSC 9579|p-Methylnitrobenzene|p-Nitrotoluene|para-Nitrotoluene|para-Nitrotoluol|TOLUENE, 4-NITRO-|Toluene, p-nitro-|UNII-E88IMG14EX https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023792 https://doi.org/10.22427/NTP-DATA-DTXSID5023792
ARPathway2016 ARPathway2016_1831 4-Nitrotoluene 99-99-0 DTXSID5023792 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrotoluene 99-99-0|4-Nitrotoluene|1-Methyl-4-nitrobenzene|4-Methyl-1-nitrobenzene|4-Methylnitrobenzene|4-nitrotolueno|4-Nitrotoluol|Benzene, 1-methyl-4-nitro-|EINECS 202-808-0|NCI 9579|NCI-C60537|Nitrotoluenos|NSC 9579|p-Methylnitrobenzene|p-Nitrotoluene|para-Nitrotoluene|para-Nitrotoluol|TOLUENE, 4-NITRO-|Toluene, p-nitro-|UNII-E88IMG14EX https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023792 https://doi.org/10.22427/NTP-DATA-DTXSID5023792
ARPathway2016 ARPathway2016_1831 4-Nitrotoluene 99-99-0 DTXSID5023792 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrotoluene 99-99-0|4-Nitrotoluene|1-Methyl-4-nitrobenzene|4-Methyl-1-nitrobenzene|4-Methylnitrobenzene|4-nitrotolueno|4-Nitrotoluol|Benzene, 1-methyl-4-nitro-|EINECS 202-808-0|NCI 9579|NCI-C60537|Nitrotoluenos|NSC 9579|p-Methylnitrobenzene|p-Nitrotoluene|para-Nitrotoluene|para-Nitrotoluol|TOLUENE, 4-NITRO-|Toluene, p-nitro-|UNII-E88IMG14EX https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023792 https://doi.org/10.22427/NTP-DATA-DTXSID5023792
ARPathway2016 ARPathway2016_1831 4-Nitrotoluene 99-99-0 DTXSID5023792 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrotoluene 99-99-0|4-Nitrotoluene|1-Methyl-4-nitrobenzene|4-Methyl-1-nitrobenzene|4-Methylnitrobenzene|4-nitrotolueno|4-Nitrotoluol|Benzene, 1-methyl-4-nitro-|EINECS 202-808-0|NCI 9579|NCI-C60537|Nitrotoluenos|NSC 9579|p-Methylnitrobenzene|p-Nitrotoluene|para-Nitrotoluene|para-Nitrotoluol|TOLUENE, 4-NITRO-|Toluene, p-nitro-|UNII-E88IMG14EX https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023792 https://doi.org/10.22427/NTP-DATA-DTXSID5023792
ERPathway2016 ERPathway2016_1803 4-Nitrotoluene 99-99-0 DTXSID5023792 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrotoluene 99-99-0|4-Nitrotoluene|1-Methyl-4-nitrobenzene|4-Methyl-1-nitrobenzene|4-Methylnitrobenzene|4-nitrotolueno|4-Nitrotoluol|Benzene, 1-methyl-4-nitro-|EINECS 202-808-0|NCI 9579|NCI-C60537|Nitrotoluenos|NSC 9579|p-Methylnitrobenzene|p-Nitrotoluene|para-Nitrotoluene|para-Nitrotoluol|TOLUENE, 4-NITRO-|Toluene, p-nitro-|UNII-E88IMG14EX https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023792 https://doi.org/10.22427/NTP-DATA-DTXSID5023792
ERPathway2016 ERPathway2016_1803 4-Nitrotoluene 99-99-0 DTXSID5023792 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrotoluene 99-99-0|4-Nitrotoluene|1-Methyl-4-nitrobenzene|4-Methyl-1-nitrobenzene|4-Methylnitrobenzene|4-nitrotolueno|4-Nitrotoluol|Benzene, 1-methyl-4-nitro-|EINECS 202-808-0|NCI 9579|NCI-C60537|Nitrotoluenos|NSC 9579|p-Methylnitrobenzene|p-Nitrotoluene|para-Nitrotoluene|para-Nitrotoluol|TOLUENE, 4-NITRO-|Toluene, p-nitro-|UNII-E88IMG14EX https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023792 https://doi.org/10.22427/NTP-DATA-DTXSID5023792
ERPathway2016 ERPathway2016_1803 4-Nitrotoluene 99-99-0 DTXSID5023792 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrotoluene 99-99-0|4-Nitrotoluene|1-Methyl-4-nitrobenzene|4-Methyl-1-nitrobenzene|4-Methylnitrobenzene|4-nitrotolueno|4-Nitrotoluol|Benzene, 1-methyl-4-nitro-|EINECS 202-808-0|NCI 9579|NCI-C60537|Nitrotoluenos|NSC 9579|p-Methylnitrobenzene|p-Nitrotoluene|para-Nitrotoluene|para-Nitrotoluol|TOLUENE, 4-NITRO-|Toluene, p-nitro-|UNII-E88IMG14EX https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023792 https://doi.org/10.22427/NTP-DATA-DTXSID5023792
ERPathway2016 ERPathway2016_1803 4-Nitrotoluene 99-99-0 DTXSID5023792 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C=C1)[N+]([O-])=O 4-Nitrotoluene 99-99-0|4-Nitrotoluene|1-Methyl-4-nitrobenzene|4-Methyl-1-nitrobenzene|4-Methylnitrobenzene|4-nitrotolueno|4-Nitrotoluol|Benzene, 1-methyl-4-nitro-|EINECS 202-808-0|NCI 9579|NCI-C60537|Nitrotoluenos|NSC 9579|p-Methylnitrobenzene|p-Nitrotoluene|para-Nitrotoluene|para-Nitrotoluol|TOLUENE, 4-NITRO-|Toluene, p-nitro-|UNII-E88IMG14EX https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023792 https://doi.org/10.22427/NTP-DATA-DTXSID5023792
ARPathway2016 ARPathway2016_7 4-Nonylphenol 104-40-5 DTXSID5033836 1.0 AR Pathway Model, Agonist AC50 34.5595403404914 uM CCCCCCCCCC1=CC=C(O)C=C1 4-Nonylphenol 104-40-5|4-Nonylphenol|1-Nonyl-4-phenol|4-n-Nonyl phenol|4-n-Nonylphenol|EINECS 203-199-4|Nonyl phenol|p-n-Nonylphenol|p-nonilfenol|p-Nonylphenol|p-NP|para Nonyl phenol|para-Nonylphenol|Phenol, 4-nonyl-|Phenol, p-nonyl-|UNII-I03GBV4WEL|29832-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5033836
ARPathway2016 ARPathway2016_7 4-Nonylphenol 104-40-5 DTXSID5033836 1.0 AR Pathway Model, Agonist ACC 40.7326698388269 uM CCCCCCCCCC1=CC=C(O)C=C1 4-Nonylphenol 104-40-5|4-Nonylphenol|1-Nonyl-4-phenol|4-n-Nonyl phenol|4-n-Nonylphenol|EINECS 203-199-4|Nonyl phenol|p-n-Nonylphenol|p-nonilfenol|p-Nonylphenol|p-NP|para Nonyl phenol|para-Nonylphenol|Phenol, 4-nonyl-|Phenol, p-nonyl-|UNII-I03GBV4WEL|29832-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5033836
ARPathway2016 ARPathway2016_7 4-Nonylphenol 104-40-5 DTXSID5033836 1.0 AR Pathway Model, Antagonist Model Score 0.0456 Unitless CCCCCCCCCC1=CC=C(O)C=C1 4-Nonylphenol 104-40-5|4-Nonylphenol|1-Nonyl-4-phenol|4-n-Nonyl phenol|4-n-Nonylphenol|EINECS 203-199-4|Nonyl phenol|p-n-Nonylphenol|p-nonilfenol|p-Nonylphenol|p-NP|para Nonyl phenol|para-Nonylphenol|Phenol, 4-nonyl-|Phenol, p-nonyl-|UNII-I03GBV4WEL|29832-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5033836
ARPathway2016 ARPathway2016_7 4-Nonylphenol 104-40-5 DTXSID5033836 1.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCC1=CC=C(O)C=C1 4-Nonylphenol 104-40-5|4-Nonylphenol|1-Nonyl-4-phenol|4-n-Nonyl phenol|4-n-Nonylphenol|EINECS 203-199-4|Nonyl phenol|p-n-Nonylphenol|p-nonilfenol|p-Nonylphenol|p-NP|para Nonyl phenol|para-Nonylphenol|Phenol, 4-nonyl-|Phenol, p-nonyl-|UNII-I03GBV4WEL|29832-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5033836
ARPathway2016 ARPathway2016_7 4-Nonylphenol 104-40-5 DTXSID5033836 1.0 AR Pathway Model, Agonist Call Active Unitless CCCCCCCCCC1=CC=C(O)C=C1 4-Nonylphenol 104-40-5|4-Nonylphenol|1-Nonyl-4-phenol|4-n-Nonyl phenol|4-n-Nonylphenol|EINECS 203-199-4|Nonyl phenol|p-n-Nonylphenol|p-nonilfenol|p-Nonylphenol|p-NP|para Nonyl phenol|para-Nonylphenol|Phenol, 4-nonyl-|Phenol, p-nonyl-|UNII-I03GBV4WEL|29832-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5033836
ARPathway2016 ARPathway2016_7 4-Nonylphenol 104-40-5 DTXSID5033836 1.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCC1=CC=C(O)C=C1 4-Nonylphenol 104-40-5|4-Nonylphenol|1-Nonyl-4-phenol|4-n-Nonyl phenol|4-n-Nonylphenol|EINECS 203-199-4|Nonyl phenol|p-n-Nonylphenol|p-nonilfenol|p-Nonylphenol|p-NP|para Nonyl phenol|para-Nonylphenol|Phenol, 4-nonyl-|Phenol, p-nonyl-|UNII-I03GBV4WEL|29832-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5033836
ERPathway2016 ERPathway2016_244 4-Nonylphenol 104-40-5 DTXSID5033836 ER Pathway Model, Antagonist AC50 13.3432763354086 uM CCCCCCCCCC1=CC=C(O)C=C1 4-Nonylphenol 104-40-5|4-Nonylphenol|1-Nonyl-4-phenol|4-n-Nonyl phenol|4-n-Nonylphenol|EINECS 203-199-4|Nonyl phenol|p-n-Nonylphenol|p-nonilfenol|p-Nonylphenol|p-NP|para Nonyl phenol|para-Nonylphenol|Phenol, 4-nonyl-|Phenol, p-nonyl-|UNII-I03GBV4WEL|29832-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5033836
ERPathway2016 ERPathway2016_244 4-Nonylphenol 104-40-5 DTXSID5033836 ER Pathway Model, Antagonist ACC 7.65295493968288 uM CCCCCCCCCC1=CC=C(O)C=C1 4-Nonylphenol 104-40-5|4-Nonylphenol|1-Nonyl-4-phenol|4-n-Nonyl phenol|4-n-Nonylphenol|EINECS 203-199-4|Nonyl phenol|p-n-Nonylphenol|p-nonilfenol|p-Nonylphenol|p-NP|para Nonyl phenol|para-Nonylphenol|Phenol, 4-nonyl-|Phenol, p-nonyl-|UNII-I03GBV4WEL|29832-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5033836
ERPathway2016 ERPathway2016_244 4-Nonylphenol 104-40-5 DTXSID5033836 ER Pathway Model, Agonist Model Score 0.088 Unitless CCCCCCCCCC1=CC=C(O)C=C1 4-Nonylphenol 104-40-5|4-Nonylphenol|1-Nonyl-4-phenol|4-n-Nonyl phenol|4-n-Nonylphenol|EINECS 203-199-4|Nonyl phenol|p-n-Nonylphenol|p-nonilfenol|p-Nonylphenol|p-NP|para Nonyl phenol|para-Nonylphenol|Phenol, 4-nonyl-|Phenol, p-nonyl-|UNII-I03GBV4WEL|29832-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5033836
ERPathway2016 ERPathway2016_244 4-Nonylphenol 104-40-5 DTXSID5033836 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCC1=CC=C(O)C=C1 4-Nonylphenol 104-40-5|4-Nonylphenol|1-Nonyl-4-phenol|4-n-Nonyl phenol|4-n-Nonylphenol|EINECS 203-199-4|Nonyl phenol|p-n-Nonylphenol|p-nonilfenol|p-Nonylphenol|p-NP|para Nonyl phenol|para-Nonylphenol|Phenol, 4-nonyl-|Phenol, p-nonyl-|UNII-I03GBV4WEL|29832-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5033836
ERPathway2016 ERPathway2016_244 4-Nonylphenol 104-40-5 DTXSID5033836 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCC1=CC=C(O)C=C1 4-Nonylphenol 104-40-5|4-Nonylphenol|1-Nonyl-4-phenol|4-n-Nonyl phenol|4-n-Nonylphenol|EINECS 203-199-4|Nonyl phenol|p-n-Nonylphenol|p-nonilfenol|p-Nonylphenol|p-NP|para Nonyl phenol|para-Nonylphenol|Phenol, 4-nonyl-|Phenol, p-nonyl-|UNII-I03GBV4WEL|29832-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5033836
ERPathway2016 ERPathway2016_244 4-Nonylphenol 104-40-5 DTXSID5033836 ER Pathway Model, Antagonist Call Active Unitless CCCCCCCCCC1=CC=C(O)C=C1 4-Nonylphenol 104-40-5|4-Nonylphenol|1-Nonyl-4-phenol|4-n-Nonyl phenol|4-n-Nonylphenol|EINECS 203-199-4|Nonyl phenol|p-n-Nonylphenol|p-nonilfenol|p-Nonylphenol|p-NP|para Nonyl phenol|para-Nonylphenol|Phenol, 4-nonyl-|Phenol, p-nonyl-|UNII-I03GBV4WEL|29832-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5033836
ARPathway2016 ARPathway2016_300 4-Nonylphenol, branched 84852-15-3 DTXSID5029055 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 24.1596568942663 uM 4-Nonylphenol, branched 84852-15-3|4-Nonylphenol, branched|Branched 4-nonylphenol|Branched p-nonylphenol|C9 branched alkyl phenol|EINECS 284-325-5|fenol, 4-nonil-, ramificado|p-Nonylphenol ramifie|p-Nonylphenol, branched|phenol ramifie, nonyl-4|Phenol, 4-nonyl-, branched|Phenol, 4-Nonyl-, verzweigt https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029055 https://doi.org/10.22427/NTP-DATA-DTXSID5029055
ARPathway2016 ARPathway2016_300 4-Nonylphenol, branched 84852-15-3 DTXSID5029055 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 20.7371746433212 uM 4-Nonylphenol, branched 84852-15-3|4-Nonylphenol, branched|Branched 4-nonylphenol|Branched p-nonylphenol|C9 branched alkyl phenol|EINECS 284-325-5|fenol, 4-nonil-, ramificado|p-Nonylphenol ramifie|p-Nonylphenol, branched|phenol ramifie, nonyl-4|Phenol, 4-nonyl-, branched|Phenol, 4-Nonyl-, verzweigt https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029055 https://doi.org/10.22427/NTP-DATA-DTXSID5029055
ARPathway2016 ARPathway2016_300 4-Nonylphenol, branched 84852-15-3 DTXSID5029055 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.227 Unitless 4-Nonylphenol, branched 84852-15-3|4-Nonylphenol, branched|Branched 4-nonylphenol|Branched p-nonylphenol|C9 branched alkyl phenol|EINECS 284-325-5|fenol, 4-nonil-, ramificado|p-Nonylphenol ramifie|p-Nonylphenol, branched|phenol ramifie, nonyl-4|Phenol, 4-nonyl-, branched|Phenol, 4-Nonyl-, verzweigt https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029055 https://doi.org/10.22427/NTP-DATA-DTXSID5029055
ARPathway2016 ARPathway2016_300 4-Nonylphenol, branched 84852-15-3 DTXSID5029055 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless 4-Nonylphenol, branched 84852-15-3|4-Nonylphenol, branched|Branched 4-nonylphenol|Branched p-nonylphenol|C9 branched alkyl phenol|EINECS 284-325-5|fenol, 4-nonil-, ramificado|p-Nonylphenol ramifie|p-Nonylphenol, branched|phenol ramifie, nonyl-4|Phenol, 4-nonyl-, branched|Phenol, 4-Nonyl-, verzweigt https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029055 https://doi.org/10.22427/NTP-DATA-DTXSID5029055
ARPathway2016 ARPathway2016_300 4-Nonylphenol, branched 84852-15-3 DTXSID5029055 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless 4-Nonylphenol, branched 84852-15-3|4-Nonylphenol, branched|Branched 4-nonylphenol|Branched p-nonylphenol|C9 branched alkyl phenol|EINECS 284-325-5|fenol, 4-nonil-, ramificado|p-Nonylphenol ramifie|p-Nonylphenol, branched|phenol ramifie, nonyl-4|Phenol, 4-nonyl-, branched|Phenol, 4-Nonyl-, verzweigt https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029055 https://doi.org/10.22427/NTP-DATA-DTXSID5029055
ARPathway2016 ARPathway2016_300 4-Nonylphenol, branched 84852-15-3 DTXSID5029055 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless 4-Nonylphenol, branched 84852-15-3|4-Nonylphenol, branched|Branched 4-nonylphenol|Branched p-nonylphenol|C9 branched alkyl phenol|EINECS 284-325-5|fenol, 4-nonil-, ramificado|p-Nonylphenol ramifie|p-Nonylphenol, branched|phenol ramifie, nonyl-4|Phenol, 4-nonyl-, branched|Phenol, 4-Nonyl-, verzweigt https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029055 https://doi.org/10.22427/NTP-DATA-DTXSID5029055
ERPathway2016 ERPathway2016_163 4-Nonylphenol, branched 84852-15-3 DTXSID5029055 Agonist ER Pathway Model, Antagonist AC50 1.58031083665532 uM 4-Nonylphenol, branched 84852-15-3|4-Nonylphenol, branched|Branched 4-nonylphenol|Branched p-nonylphenol|C9 branched alkyl phenol|EINECS 284-325-5|fenol, 4-nonil-, ramificado|p-Nonylphenol ramifie|p-Nonylphenol, branched|phenol ramifie, nonyl-4|Phenol, 4-nonyl-, branched|Phenol, 4-Nonyl-, verzweigt https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029055 https://doi.org/10.22427/NTP-DATA-DTXSID5029055
ERPathway2016 ERPathway2016_163 4-Nonylphenol, branched 84852-15-3 DTXSID5029055 Agonist ER Pathway Model, Antagonist ACC 0.59627469578219 uM 4-Nonylphenol, branched 84852-15-3|4-Nonylphenol, branched|Branched 4-nonylphenol|Branched p-nonylphenol|C9 branched alkyl phenol|EINECS 284-325-5|fenol, 4-nonil-, ramificado|p-Nonylphenol ramifie|p-Nonylphenol, branched|phenol ramifie, nonyl-4|Phenol, 4-nonyl-, branched|Phenol, 4-Nonyl-, verzweigt https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029055 https://doi.org/10.22427/NTP-DATA-DTXSID5029055
ERPathway2016 ERPathway2016_163 4-Nonylphenol, branched 84852-15-3 DTXSID5029055 Agonist ER Pathway Model, Agonist Model Score 0.435 Unitless 4-Nonylphenol, branched 84852-15-3|4-Nonylphenol, branched|Branched 4-nonylphenol|Branched p-nonylphenol|C9 branched alkyl phenol|EINECS 284-325-5|fenol, 4-nonil-, ramificado|p-Nonylphenol ramifie|p-Nonylphenol, branched|phenol ramifie, nonyl-4|Phenol, 4-nonyl-, branched|Phenol, 4-Nonyl-, verzweigt https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029055 https://doi.org/10.22427/NTP-DATA-DTXSID5029055
ERPathway2016 ERPathway2016_163 4-Nonylphenol, branched 84852-15-3 DTXSID5029055 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless 4-Nonylphenol, branched 84852-15-3|4-Nonylphenol, branched|Branched 4-nonylphenol|Branched p-nonylphenol|C9 branched alkyl phenol|EINECS 284-325-5|fenol, 4-nonil-, ramificado|p-Nonylphenol ramifie|p-Nonylphenol, branched|phenol ramifie, nonyl-4|Phenol, 4-nonyl-, branched|Phenol, 4-Nonyl-, verzweigt https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029055 https://doi.org/10.22427/NTP-DATA-DTXSID5029055
ERPathway2016 ERPathway2016_163 4-Nonylphenol, branched 84852-15-3 DTXSID5029055 Agonist ER Pathway Model, Agonist Call Inactive Unitless 4-Nonylphenol, branched 84852-15-3|4-Nonylphenol, branched|Branched 4-nonylphenol|Branched p-nonylphenol|C9 branched alkyl phenol|EINECS 284-325-5|fenol, 4-nonil-, ramificado|p-Nonylphenol ramifie|p-Nonylphenol, branched|phenol ramifie, nonyl-4|Phenol, 4-nonyl-, branched|Phenol, 4-Nonyl-, verzweigt https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029055 https://doi.org/10.22427/NTP-DATA-DTXSID5029055
ERPathway2016 ERPathway2016_163 4-Nonylphenol, branched 84852-15-3 DTXSID5029055 Agonist ER Pathway Model, Antagonist Call Active Unitless 4-Nonylphenol, branched 84852-15-3|4-Nonylphenol, branched|Branched 4-nonylphenol|Branched p-nonylphenol|C9 branched alkyl phenol|EINECS 284-325-5|fenol, 4-nonil-, ramificado|p-Nonylphenol ramifie|p-Nonylphenol, branched|phenol ramifie, nonyl-4|Phenol, 4-nonyl-, branched|Phenol, 4-Nonyl-, verzweigt https://comptox.epa.gov/dashboard/chemical/details/DTXSID5029055 https://doi.org/10.22427/NTP-DATA-DTXSID5029055
ARPathway2016 ARPathway2016_946 4-Octylphenol 1806-26-4 DTXSID9022312 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCC1=CC=C(O)C=C1 4-Octylphenol 1806-26-4|4-Octylphenol|1-(p-Hydroxyphenyl)octane|4-n-Octylphenol|EINECS 217-302-5|Octylphenol and its ethoxylates|p-(n-Octyl)phenol|p-Octylphenol|Phenol, 4- octyl-|Phenol, p-octyl-|UNII-7DF2B8LH3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022312
ARPathway2016 ARPathway2016_946 4-Octylphenol 1806-26-4 DTXSID9022312 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCC1=CC=C(O)C=C1 4-Octylphenol 1806-26-4|4-Octylphenol|1-(p-Hydroxyphenyl)octane|4-n-Octylphenol|EINECS 217-302-5|Octylphenol and its ethoxylates|p-(n-Octyl)phenol|p-Octylphenol|Phenol, 4- octyl-|Phenol, p-octyl-|UNII-7DF2B8LH3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022312
ARPathway2016 ARPathway2016_946 4-Octylphenol 1806-26-4 DTXSID9022312 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCC1=CC=C(O)C=C1 4-Octylphenol 1806-26-4|4-Octylphenol|1-(p-Hydroxyphenyl)octane|4-n-Octylphenol|EINECS 217-302-5|Octylphenol and its ethoxylates|p-(n-Octyl)phenol|p-Octylphenol|Phenol, 4- octyl-|Phenol, p-octyl-|UNII-7DF2B8LH3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022312
ARPathway2016 ARPathway2016_946 4-Octylphenol 1806-26-4 DTXSID9022312 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC1=CC=C(O)C=C1 4-Octylphenol 1806-26-4|4-Octylphenol|1-(p-Hydroxyphenyl)octane|4-n-Octylphenol|EINECS 217-302-5|Octylphenol and its ethoxylates|p-(n-Octyl)phenol|p-Octylphenol|Phenol, 4- octyl-|Phenol, p-octyl-|UNII-7DF2B8LH3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022312
ERPathway2016 ERPathway2016_226 4-Octylphenol 1806-26-4 DTXSID9022312 Agonist ER Pathway Model, Antagonist AC50 10.9206021342031 uM CCCCCCCCC1=CC=C(O)C=C1 4-Octylphenol 1806-26-4|4-Octylphenol|1-(p-Hydroxyphenyl)octane|4-n-Octylphenol|EINECS 217-302-5|Octylphenol and its ethoxylates|p-(n-Octyl)phenol|p-Octylphenol|Phenol, 4- octyl-|Phenol, p-octyl-|UNII-7DF2B8LH3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022312
ERPathway2016 ERPathway2016_226 4-Octylphenol 1806-26-4 DTXSID9022312 Agonist ER Pathway Model, Antagonist ACC 4.85943205300023 uM CCCCCCCCC1=CC=C(O)C=C1 4-Octylphenol 1806-26-4|4-Octylphenol|1-(p-Hydroxyphenyl)octane|4-n-Octylphenol|EINECS 217-302-5|Octylphenol and its ethoxylates|p-(n-Octyl)phenol|p-Octylphenol|Phenol, 4- octyl-|Phenol, p-octyl-|UNII-7DF2B8LH3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022312
ERPathway2016 ERPathway2016_226 4-Octylphenol 1806-26-4 DTXSID9022312 Agonist ER Pathway Model, Agonist Model Score 0.118 Unitless CCCCCCCCC1=CC=C(O)C=C1 4-Octylphenol 1806-26-4|4-Octylphenol|1-(p-Hydroxyphenyl)octane|4-n-Octylphenol|EINECS 217-302-5|Octylphenol and its ethoxylates|p-(n-Octyl)phenol|p-Octylphenol|Phenol, 4- octyl-|Phenol, p-octyl-|UNII-7DF2B8LH3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022312
ERPathway2016 ERPathway2016_226 4-Octylphenol 1806-26-4 DTXSID9022312 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCC1=CC=C(O)C=C1 4-Octylphenol 1806-26-4|4-Octylphenol|1-(p-Hydroxyphenyl)octane|4-n-Octylphenol|EINECS 217-302-5|Octylphenol and its ethoxylates|p-(n-Octyl)phenol|p-Octylphenol|Phenol, 4- octyl-|Phenol, p-octyl-|UNII-7DF2B8LH3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022312
ERPathway2016 ERPathway2016_226 4-Octylphenol 1806-26-4 DTXSID9022312 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCC1=CC=C(O)C=C1 4-Octylphenol 1806-26-4|4-Octylphenol|1-(p-Hydroxyphenyl)octane|4-n-Octylphenol|EINECS 217-302-5|Octylphenol and its ethoxylates|p-(n-Octyl)phenol|p-Octylphenol|Phenol, 4- octyl-|Phenol, p-octyl-|UNII-7DF2B8LH3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022312
ERPathway2016 ERPathway2016_226 4-Octylphenol 1806-26-4 DTXSID9022312 Agonist ER Pathway Model, Antagonist Call Active Unitless CCCCCCCCC1=CC=C(O)C=C1 4-Octylphenol 1806-26-4|4-Octylphenol|1-(p-Hydroxyphenyl)octane|4-n-Octylphenol|EINECS 217-302-5|Octylphenol and its ethoxylates|p-(n-Octyl)phenol|p-Octylphenol|Phenol, 4- octyl-|Phenol, p-octyl-|UNII-7DF2B8LH3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022312
ARPathway2016 ARPathway2016_1147 4-Pentylaniline 33228-44-3 DTXSID0040707 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCC1=CC=C(N)C=C1 4-Pentylaniline 33228-44-3|4-Pentylaniline|4-n-amylaniline|Benzenamine, 4-pentyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040707
ARPathway2016 ARPathway2016_1147 4-Pentylaniline 33228-44-3 DTXSID0040707 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCC1=CC=C(N)C=C1 4-Pentylaniline 33228-44-3|4-Pentylaniline|4-n-amylaniline|Benzenamine, 4-pentyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040707
ARPathway2016 ARPathway2016_1147 4-Pentylaniline 33228-44-3 DTXSID0040707 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCCCCC1=CC=C(N)C=C1 4-Pentylaniline 33228-44-3|4-Pentylaniline|4-n-amylaniline|Benzenamine, 4-pentyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040707
ARPathway2016 ARPathway2016_1147 4-Pentylaniline 33228-44-3 DTXSID0040707 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCC1=CC=C(N)C=C1 4-Pentylaniline 33228-44-3|4-Pentylaniline|4-n-amylaniline|Benzenamine, 4-pentyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040707
ERPathway2016 ERPathway2016_370 4-Pentylaniline 33228-44-3 DTXSID0040707 ER Pathway Model, Antagonist AC50 37.230125563122 uM CCCCCC1=CC=C(N)C=C1 4-Pentylaniline 33228-44-3|4-Pentylaniline|4-n-amylaniline|Benzenamine, 4-pentyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040707
ERPathway2016 ERPathway2016_370 4-Pentylaniline 33228-44-3 DTXSID0040707 ER Pathway Model, Antagonist ACC 18.2451931929946 uM CCCCCC1=CC=C(N)C=C1 4-Pentylaniline 33228-44-3|4-Pentylaniline|4-n-amylaniline|Benzenamine, 4-pentyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040707
ERPathway2016 ERPathway2016_370 4-Pentylaniline 33228-44-3 DTXSID0040707 ER Pathway Model, Agonist Model Score 0.0138 Unitless CCCCCC1=CC=C(N)C=C1 4-Pentylaniline 33228-44-3|4-Pentylaniline|4-n-amylaniline|Benzenamine, 4-pentyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040707
ERPathway2016 ERPathway2016_370 4-Pentylaniline 33228-44-3 DTXSID0040707 ER Pathway Model, Antagonist Model Score 0.00901 Unitless CCCCCC1=CC=C(N)C=C1 4-Pentylaniline 33228-44-3|4-Pentylaniline|4-n-amylaniline|Benzenamine, 4-pentyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040707
ERPathway2016 ERPathway2016_370 4-Pentylaniline 33228-44-3 DTXSID0040707 ER Pathway Model, Agonist Call Inactive Unitless CCCCCC1=CC=C(N)C=C1 4-Pentylaniline 33228-44-3|4-Pentylaniline|4-n-amylaniline|Benzenamine, 4-pentyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040707
ERPathway2016 ERPathway2016_370 4-Pentylaniline 33228-44-3 DTXSID0040707 ER Pathway Model, Antagonist Call Active Unitless CCCCCC1=CC=C(N)C=C1 4-Pentylaniline 33228-44-3|4-Pentylaniline|4-n-amylaniline|Benzenamine, 4-pentyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040707
ARPathway2016 ARPathway2016_312 4-Phenylphenol 92-69-3 DTXSID7021152 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 33.20656656 uM OC1=CC=C(C=C1)C1=CC=CC=C1 4-Phenylphenol 92-69-3|4-Phenylphenol|[1,1'-Biphenyl]-4-ol|1-Hydroxy-4-phenylbenzene|4-Biphenylol|4-Diphenylol|4-Hydroxy-1,1'-biphenyl|4-hydroxybiphenyl|4-Hydroxydiphenyl|A1530|bifenil-4-ol|Biphenyl-4-ol|Biphenyl, 4-hydroxy-|biphenyle-4-ol|EINECS 202-179-2|NSC 1858|p-Biphenylol|p-Hydroxybiphenyl|p-Hydroxydiphenyl|p-Phenylphenol|p-Xenol|para-hydroxydiphenyl|para-phenylphenol|Paraxenol|Phenol p-phenyl|Tetrasin P 300|Tetrosin P 300|110617-59-9|215723-23-2|61840-56-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021152
ARPathway2016 ARPathway2016_312 4-Phenylphenol 92-69-3 DTXSID7021152 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 20.1445531966831 uM OC1=CC=C(C=C1)C1=CC=CC=C1 4-Phenylphenol 92-69-3|4-Phenylphenol|[1,1'-Biphenyl]-4-ol|1-Hydroxy-4-phenylbenzene|4-Biphenylol|4-Diphenylol|4-Hydroxy-1,1'-biphenyl|4-hydroxybiphenyl|4-Hydroxydiphenyl|A1530|bifenil-4-ol|Biphenyl-4-ol|Biphenyl, 4-hydroxy-|biphenyle-4-ol|EINECS 202-179-2|NSC 1858|p-Biphenylol|p-Hydroxybiphenyl|p-Hydroxydiphenyl|p-Phenylphenol|p-Xenol|para-hydroxydiphenyl|para-phenylphenol|Paraxenol|Phenol p-phenyl|Tetrasin P 300|Tetrosin P 300|110617-59-9|215723-23-2|61840-56-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021152
ARPathway2016 ARPathway2016_312 4-Phenylphenol 92-69-3 DTXSID7021152 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.285 Unitless OC1=CC=C(C=C1)C1=CC=CC=C1 4-Phenylphenol 92-69-3|4-Phenylphenol|[1,1'-Biphenyl]-4-ol|1-Hydroxy-4-phenylbenzene|4-Biphenylol|4-Diphenylol|4-Hydroxy-1,1'-biphenyl|4-hydroxybiphenyl|4-Hydroxydiphenyl|A1530|bifenil-4-ol|Biphenyl-4-ol|Biphenyl, 4-hydroxy-|biphenyle-4-ol|EINECS 202-179-2|NSC 1858|p-Biphenylol|p-Hydroxybiphenyl|p-Hydroxydiphenyl|p-Phenylphenol|p-Xenol|para-hydroxydiphenyl|para-phenylphenol|Paraxenol|Phenol p-phenyl|Tetrasin P 300|Tetrosin P 300|110617-59-9|215723-23-2|61840-56-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021152
ARPathway2016 ARPathway2016_312 4-Phenylphenol 92-69-3 DTXSID7021152 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0.0147 Unitless OC1=CC=C(C=C1)C1=CC=CC=C1 4-Phenylphenol 92-69-3|4-Phenylphenol|[1,1'-Biphenyl]-4-ol|1-Hydroxy-4-phenylbenzene|4-Biphenylol|4-Diphenylol|4-Hydroxy-1,1'-biphenyl|4-hydroxybiphenyl|4-Hydroxydiphenyl|A1530|bifenil-4-ol|Biphenyl-4-ol|Biphenyl, 4-hydroxy-|biphenyle-4-ol|EINECS 202-179-2|NSC 1858|p-Biphenylol|p-Hydroxybiphenyl|p-Hydroxydiphenyl|p-Phenylphenol|p-Xenol|para-hydroxydiphenyl|para-phenylphenol|Paraxenol|Phenol p-phenyl|Tetrasin P 300|Tetrosin P 300|110617-59-9|215723-23-2|61840-56-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021152
ARPathway2016 ARPathway2016_312 4-Phenylphenol 92-69-3 DTXSID7021152 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=CC=C(C=C1)C1=CC=CC=C1 4-Phenylphenol 92-69-3|4-Phenylphenol|[1,1'-Biphenyl]-4-ol|1-Hydroxy-4-phenylbenzene|4-Biphenylol|4-Diphenylol|4-Hydroxy-1,1'-biphenyl|4-hydroxybiphenyl|4-Hydroxydiphenyl|A1530|bifenil-4-ol|Biphenyl-4-ol|Biphenyl, 4-hydroxy-|biphenyle-4-ol|EINECS 202-179-2|NSC 1858|p-Biphenylol|p-Hydroxybiphenyl|p-Hydroxydiphenyl|p-Phenylphenol|p-Xenol|para-hydroxydiphenyl|para-phenylphenol|Paraxenol|Phenol p-phenyl|Tetrasin P 300|Tetrosin P 300|110617-59-9|215723-23-2|61840-56-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021152
ARPathway2016 ARPathway2016_312 4-Phenylphenol 92-69-3 DTXSID7021152 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(C=C1)C1=CC=CC=C1 4-Phenylphenol 92-69-3|4-Phenylphenol|[1,1'-Biphenyl]-4-ol|1-Hydroxy-4-phenylbenzene|4-Biphenylol|4-Diphenylol|4-Hydroxy-1,1'-biphenyl|4-hydroxybiphenyl|4-Hydroxydiphenyl|A1530|bifenil-4-ol|Biphenyl-4-ol|Biphenyl, 4-hydroxy-|biphenyle-4-ol|EINECS 202-179-2|NSC 1858|p-Biphenylol|p-Hydroxybiphenyl|p-Hydroxydiphenyl|p-Phenylphenol|p-Xenol|para-hydroxydiphenyl|para-phenylphenol|Paraxenol|Phenol p-phenyl|Tetrasin P 300|Tetrosin P 300|110617-59-9|215723-23-2|61840-56-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021152
ERPathway2016 ERPathway2016_197 4-Phenylphenol 92-69-3 DTXSID7021152 Agonist ER Pathway Model, Antagonist AC50 13.8926023224055 uM OC1=CC=C(C=C1)C1=CC=CC=C1 4-Phenylphenol 92-69-3|4-Phenylphenol|[1,1'-Biphenyl]-4-ol|1-Hydroxy-4-phenylbenzene|4-Biphenylol|4-Diphenylol|4-Hydroxy-1,1'-biphenyl|4-hydroxybiphenyl|4-Hydroxydiphenyl|A1530|bifenil-4-ol|Biphenyl-4-ol|Biphenyl, 4-hydroxy-|biphenyle-4-ol|EINECS 202-179-2|NSC 1858|p-Biphenylol|p-Hydroxybiphenyl|p-Hydroxydiphenyl|p-Phenylphenol|p-Xenol|para-hydroxydiphenyl|para-phenylphenol|Paraxenol|Phenol p-phenyl|Tetrasin P 300|Tetrosin P 300|110617-59-9|215723-23-2|61840-56-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021152
ERPathway2016 ERPathway2016_197 4-Phenylphenol 92-69-3 DTXSID7021152 Agonist ER Pathway Model, Antagonist ACC 3.78161157142724 uM OC1=CC=C(C=C1)C1=CC=CC=C1 4-Phenylphenol 92-69-3|4-Phenylphenol|[1,1'-Biphenyl]-4-ol|1-Hydroxy-4-phenylbenzene|4-Biphenylol|4-Diphenylol|4-Hydroxy-1,1'-biphenyl|4-hydroxybiphenyl|4-Hydroxydiphenyl|A1530|bifenil-4-ol|Biphenyl-4-ol|Biphenyl, 4-hydroxy-|biphenyle-4-ol|EINECS 202-179-2|NSC 1858|p-Biphenylol|p-Hydroxybiphenyl|p-Hydroxydiphenyl|p-Phenylphenol|p-Xenol|para-hydroxydiphenyl|para-phenylphenol|Paraxenol|Phenol p-phenyl|Tetrasin P 300|Tetrosin P 300|110617-59-9|215723-23-2|61840-56-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021152
ERPathway2016 ERPathway2016_197 4-Phenylphenol 92-69-3 DTXSID7021152 Agonist ER Pathway Model, Agonist Model Score 0.219 Unitless OC1=CC=C(C=C1)C1=CC=CC=C1 4-Phenylphenol 92-69-3|4-Phenylphenol|[1,1'-Biphenyl]-4-ol|1-Hydroxy-4-phenylbenzene|4-Biphenylol|4-Diphenylol|4-Hydroxy-1,1'-biphenyl|4-hydroxybiphenyl|4-Hydroxydiphenyl|A1530|bifenil-4-ol|Biphenyl-4-ol|Biphenyl, 4-hydroxy-|biphenyle-4-ol|EINECS 202-179-2|NSC 1858|p-Biphenylol|p-Hydroxybiphenyl|p-Hydroxydiphenyl|p-Phenylphenol|p-Xenol|para-hydroxydiphenyl|para-phenylphenol|Paraxenol|Phenol p-phenyl|Tetrasin P 300|Tetrosin P 300|110617-59-9|215723-23-2|61840-56-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021152
ERPathway2016 ERPathway2016_197 4-Phenylphenol 92-69-3 DTXSID7021152 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)C1=CC=CC=C1 4-Phenylphenol 92-69-3|4-Phenylphenol|[1,1'-Biphenyl]-4-ol|1-Hydroxy-4-phenylbenzene|4-Biphenylol|4-Diphenylol|4-Hydroxy-1,1'-biphenyl|4-hydroxybiphenyl|4-Hydroxydiphenyl|A1530|bifenil-4-ol|Biphenyl-4-ol|Biphenyl, 4-hydroxy-|biphenyle-4-ol|EINECS 202-179-2|NSC 1858|p-Biphenylol|p-Hydroxybiphenyl|p-Hydroxydiphenyl|p-Phenylphenol|p-Xenol|para-hydroxydiphenyl|para-phenylphenol|Paraxenol|Phenol p-phenyl|Tetrasin P 300|Tetrosin P 300|110617-59-9|215723-23-2|61840-56-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021152
ERPathway2016 ERPathway2016_197 4-Phenylphenol 92-69-3 DTXSID7021152 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)C1=CC=CC=C1 4-Phenylphenol 92-69-3|4-Phenylphenol|[1,1'-Biphenyl]-4-ol|1-Hydroxy-4-phenylbenzene|4-Biphenylol|4-Diphenylol|4-Hydroxy-1,1'-biphenyl|4-hydroxybiphenyl|4-Hydroxydiphenyl|A1530|bifenil-4-ol|Biphenyl-4-ol|Biphenyl, 4-hydroxy-|biphenyle-4-ol|EINECS 202-179-2|NSC 1858|p-Biphenylol|p-Hydroxybiphenyl|p-Hydroxydiphenyl|p-Phenylphenol|p-Xenol|para-hydroxydiphenyl|para-phenylphenol|Paraxenol|Phenol p-phenyl|Tetrasin P 300|Tetrosin P 300|110617-59-9|215723-23-2|61840-56-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021152
ERPathway2016 ERPathway2016_197 4-Phenylphenol 92-69-3 DTXSID7021152 Agonist ER Pathway Model, Antagonist Call Active Unitless OC1=CC=C(C=C1)C1=CC=CC=C1 4-Phenylphenol 92-69-3|4-Phenylphenol|[1,1'-Biphenyl]-4-ol|1-Hydroxy-4-phenylbenzene|4-Biphenylol|4-Diphenylol|4-Hydroxy-1,1'-biphenyl|4-hydroxybiphenyl|4-Hydroxydiphenyl|A1530|bifenil-4-ol|Biphenyl-4-ol|Biphenyl, 4-hydroxy-|biphenyle-4-ol|EINECS 202-179-2|NSC 1858|p-Biphenylol|p-Hydroxybiphenyl|p-Hydroxydiphenyl|p-Phenylphenol|p-Xenol|para-hydroxydiphenyl|para-phenylphenol|Paraxenol|Phenol p-phenyl|Tetrasin P 300|Tetrosin P 300|110617-59-9|215723-23-2|61840-56-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021152
ARPathway2016 ARPathway2016_1084 4-Propylaniline 2696-84-6 DTXSID5048180 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC1=CC=C(N)C=C1 4-Propylaniline 2696-84-6|4-Propylaniline|1-Amino-4-propylbenzene|4-n-Propylaniline|4-Propylbenzenamine|BRN 2205524|EINECS 220-271-0|NSC 13208|p-n-Propylaniline|p-Propylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048180
ARPathway2016 ARPathway2016_1084 4-Propylaniline 2696-84-6 DTXSID5048180 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCC1=CC=C(N)C=C1 4-Propylaniline 2696-84-6|4-Propylaniline|1-Amino-4-propylbenzene|4-n-Propylaniline|4-Propylbenzenamine|BRN 2205524|EINECS 220-271-0|NSC 13208|p-n-Propylaniline|p-Propylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048180
ARPathway2016 ARPathway2016_1084 4-Propylaniline 2696-84-6 DTXSID5048180 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCC1=CC=C(N)C=C1 4-Propylaniline 2696-84-6|4-Propylaniline|1-Amino-4-propylbenzene|4-n-Propylaniline|4-Propylbenzenamine|BRN 2205524|EINECS 220-271-0|NSC 13208|p-n-Propylaniline|p-Propylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048180
ARPathway2016 ARPathway2016_1084 4-Propylaniline 2696-84-6 DTXSID5048180 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCC1=CC=C(N)C=C1 4-Propylaniline 2696-84-6|4-Propylaniline|1-Amino-4-propylbenzene|4-n-Propylaniline|4-Propylbenzenamine|BRN 2205524|EINECS 220-271-0|NSC 13208|p-n-Propylaniline|p-Propylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048180
ERPathway2016 ERPathway2016_1419 4-Propylaniline 2696-84-6 DTXSID5048180 ER Pathway Model, Agonist Model Score 0 Unitless CCCC1=CC=C(N)C=C1 4-Propylaniline 2696-84-6|4-Propylaniline|1-Amino-4-propylbenzene|4-n-Propylaniline|4-Propylbenzenamine|BRN 2205524|EINECS 220-271-0|NSC 13208|p-n-Propylaniline|p-Propylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048180
ERPathway2016 ERPathway2016_1419 4-Propylaniline 2696-84-6 DTXSID5048180 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC1=CC=C(N)C=C1 4-Propylaniline 2696-84-6|4-Propylaniline|1-Amino-4-propylbenzene|4-n-Propylaniline|4-Propylbenzenamine|BRN 2205524|EINECS 220-271-0|NSC 13208|p-n-Propylaniline|p-Propylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048180
ERPathway2016 ERPathway2016_1419 4-Propylaniline 2696-84-6 DTXSID5048180 ER Pathway Model, Agonist Call Inactive Unitless CCCC1=CC=C(N)C=C1 4-Propylaniline 2696-84-6|4-Propylaniline|1-Amino-4-propylbenzene|4-n-Propylaniline|4-Propylbenzenamine|BRN 2205524|EINECS 220-271-0|NSC 13208|p-n-Propylaniline|p-Propylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048180
ERPathway2016 ERPathway2016_1419 4-Propylaniline 2696-84-6 DTXSID5048180 ER Pathway Model, Antagonist Call Inactive Unitless CCCC1=CC=C(N)C=C1 4-Propylaniline 2696-84-6|4-Propylaniline|1-Amino-4-propylbenzene|4-n-Propylaniline|4-Propylbenzenamine|BRN 2205524|EINECS 220-271-0|NSC 13208|p-n-Propylaniline|p-Propylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048180
ARPathway2016 ARPathway2016_446 4-Propylanisole 104-45-0 DTXSID0042325 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC1=CC=C(OC)C=C1 4-Propylanisole 104-45-0|4-Propylanisole|1-Methoxy-4-propyl-Benzene|1-Methoxy-4-propylbenzene|1-Methoxy-4-propylbenzene,|4-n-Propylanisole|4-Propylanisole, 8CI|4-Propylmethoxybenzene|Benzene, 1-methoxy-4-propyl-|BRN 2042121|Dihydroanethole|EINECS 203-203-4|FEMA 2930|FEMA No. 2930|Methyl p-propylphenyl ether|NSC 37996|p-n-Propyl anisole|p-n-Propylanisole|p-Propyl anisole|p-Propyl-Anisole|p-Propylanisole|p-Propylmethoxybenzene|P-Propylphenol methyl ether|Propylanisol|UNII-932XJ1O77X https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042325
ARPathway2016 ARPathway2016_446 4-Propylanisole 104-45-0 DTXSID0042325 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCC1=CC=C(OC)C=C1 4-Propylanisole 104-45-0|4-Propylanisole|1-Methoxy-4-propyl-Benzene|1-Methoxy-4-propylbenzene|1-Methoxy-4-propylbenzene,|4-n-Propylanisole|4-Propylanisole, 8CI|4-Propylmethoxybenzene|Benzene, 1-methoxy-4-propyl-|BRN 2042121|Dihydroanethole|EINECS 203-203-4|FEMA 2930|FEMA No. 2930|Methyl p-propylphenyl ether|NSC 37996|p-n-Propyl anisole|p-n-Propylanisole|p-Propyl anisole|p-Propyl-Anisole|p-Propylanisole|p-Propylmethoxybenzene|P-Propylphenol methyl ether|Propylanisol|UNII-932XJ1O77X https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042325
ARPathway2016 ARPathway2016_446 4-Propylanisole 104-45-0 DTXSID0042325 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCC1=CC=C(OC)C=C1 4-Propylanisole 104-45-0|4-Propylanisole|1-Methoxy-4-propyl-Benzene|1-Methoxy-4-propylbenzene|1-Methoxy-4-propylbenzene,|4-n-Propylanisole|4-Propylanisole, 8CI|4-Propylmethoxybenzene|Benzene, 1-methoxy-4-propyl-|BRN 2042121|Dihydroanethole|EINECS 203-203-4|FEMA 2930|FEMA No. 2930|Methyl p-propylphenyl ether|NSC 37996|p-n-Propyl anisole|p-n-Propylanisole|p-Propyl anisole|p-Propyl-Anisole|p-Propylanisole|p-Propylmethoxybenzene|P-Propylphenol methyl ether|Propylanisol|UNII-932XJ1O77X https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042325
ARPathway2016 ARPathway2016_446 4-Propylanisole 104-45-0 DTXSID0042325 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCC1=CC=C(OC)C=C1 4-Propylanisole 104-45-0|4-Propylanisole|1-Methoxy-4-propyl-Benzene|1-Methoxy-4-propylbenzene|1-Methoxy-4-propylbenzene,|4-n-Propylanisole|4-Propylanisole, 8CI|4-Propylmethoxybenzene|Benzene, 1-methoxy-4-propyl-|BRN 2042121|Dihydroanethole|EINECS 203-203-4|FEMA 2930|FEMA No. 2930|Methyl p-propylphenyl ether|NSC 37996|p-n-Propyl anisole|p-n-Propylanisole|p-Propyl anisole|p-Propyl-Anisole|p-Propylanisole|p-Propylmethoxybenzene|P-Propylphenol methyl ether|Propylanisol|UNII-932XJ1O77X https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042325
ERPathway2016 ERPathway2016_843 4-Propylanisole 104-45-0 DTXSID0042325 ER Pathway Model, Agonist Model Score 0 Unitless CCCC1=CC=C(OC)C=C1 4-Propylanisole 104-45-0|4-Propylanisole|1-Methoxy-4-propyl-Benzene|1-Methoxy-4-propylbenzene|1-Methoxy-4-propylbenzene,|4-n-Propylanisole|4-Propylanisole, 8CI|4-Propylmethoxybenzene|Benzene, 1-methoxy-4-propyl-|BRN 2042121|Dihydroanethole|EINECS 203-203-4|FEMA 2930|FEMA No. 2930|Methyl p-propylphenyl ether|NSC 37996|p-n-Propyl anisole|p-n-Propylanisole|p-Propyl anisole|p-Propyl-Anisole|p-Propylanisole|p-Propylmethoxybenzene|P-Propylphenol methyl ether|Propylanisol|UNII-932XJ1O77X https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042325
ERPathway2016 ERPathway2016_843 4-Propylanisole 104-45-0 DTXSID0042325 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC1=CC=C(OC)C=C1 4-Propylanisole 104-45-0|4-Propylanisole|1-Methoxy-4-propyl-Benzene|1-Methoxy-4-propylbenzene|1-Methoxy-4-propylbenzene,|4-n-Propylanisole|4-Propylanisole, 8CI|4-Propylmethoxybenzene|Benzene, 1-methoxy-4-propyl-|BRN 2042121|Dihydroanethole|EINECS 203-203-4|FEMA 2930|FEMA No. 2930|Methyl p-propylphenyl ether|NSC 37996|p-n-Propyl anisole|p-n-Propylanisole|p-Propyl anisole|p-Propyl-Anisole|p-Propylanisole|p-Propylmethoxybenzene|P-Propylphenol methyl ether|Propylanisol|UNII-932XJ1O77X https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042325
ERPathway2016 ERPathway2016_843 4-Propylanisole 104-45-0 DTXSID0042325 ER Pathway Model, Agonist Call Inactive Unitless CCCC1=CC=C(OC)C=C1 4-Propylanisole 104-45-0|4-Propylanisole|1-Methoxy-4-propyl-Benzene|1-Methoxy-4-propylbenzene|1-Methoxy-4-propylbenzene,|4-n-Propylanisole|4-Propylanisole, 8CI|4-Propylmethoxybenzene|Benzene, 1-methoxy-4-propyl-|BRN 2042121|Dihydroanethole|EINECS 203-203-4|FEMA 2930|FEMA No. 2930|Methyl p-propylphenyl ether|NSC 37996|p-n-Propyl anisole|p-n-Propylanisole|p-Propyl anisole|p-Propyl-Anisole|p-Propylanisole|p-Propylmethoxybenzene|P-Propylphenol methyl ether|Propylanisol|UNII-932XJ1O77X https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042325
ERPathway2016 ERPathway2016_843 4-Propylanisole 104-45-0 DTXSID0042325 ER Pathway Model, Antagonist Call Inactive Unitless CCCC1=CC=C(OC)C=C1 4-Propylanisole 104-45-0|4-Propylanisole|1-Methoxy-4-propyl-Benzene|1-Methoxy-4-propylbenzene|1-Methoxy-4-propylbenzene,|4-n-Propylanisole|4-Propylanisole, 8CI|4-Propylmethoxybenzene|Benzene, 1-methoxy-4-propyl-|BRN 2042121|Dihydroanethole|EINECS 203-203-4|FEMA 2930|FEMA No. 2930|Methyl p-propylphenyl ether|NSC 37996|p-n-Propyl anisole|p-n-Propylanisole|p-Propyl anisole|p-Propyl-Anisole|p-Propylanisole|p-Propylmethoxybenzene|P-Propylphenol methyl ether|Propylanisol|UNII-932XJ1O77X https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042325
ARPathway2016 ARPathway2016_1191 4-Propylcyclohexanone 40649-36-3 DTXSID9048198 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC1CCC(=O)CC1 4-Propylcyclohexanone 40649-36-3|4-Propylcyclohexanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048198
ARPathway2016 ARPathway2016_1191 4-Propylcyclohexanone 40649-36-3 DTXSID9048198 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCC1CCC(=O)CC1 4-Propylcyclohexanone 40649-36-3|4-Propylcyclohexanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048198
ARPathway2016 ARPathway2016_1191 4-Propylcyclohexanone 40649-36-3 DTXSID9048198 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCC1CCC(=O)CC1 4-Propylcyclohexanone 40649-36-3|4-Propylcyclohexanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048198
ARPathway2016 ARPathway2016_1191 4-Propylcyclohexanone 40649-36-3 DTXSID9048198 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCC1CCC(=O)CC1 4-Propylcyclohexanone 40649-36-3|4-Propylcyclohexanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048198
ERPathway2016 ERPathway2016_533 4-Propylcyclohexanone 40649-36-3 DTXSID9048198 R6 ER Pathway Model, Agonist Model Score 0 Unitless CCCC1CCC(=O)CC1 4-Propylcyclohexanone 40649-36-3|4-Propylcyclohexanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048198
ERPathway2016 ERPathway2016_533 4-Propylcyclohexanone 40649-36-3 DTXSID9048198 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC1CCC(=O)CC1 4-Propylcyclohexanone 40649-36-3|4-Propylcyclohexanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048198
ERPathway2016 ERPathway2016_533 4-Propylcyclohexanone 40649-36-3 DTXSID9048198 R6 ER Pathway Model, Agonist Call Inactive Unitless CCCC1CCC(=O)CC1 4-Propylcyclohexanone 40649-36-3|4-Propylcyclohexanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048198
ERPathway2016 ERPathway2016_533 4-Propylcyclohexanone 40649-36-3 DTXSID9048198 R6 ER Pathway Model, Antagonist Call Inactive Unitless CCCC1CCC(=O)CC1 4-Propylcyclohexanone 40649-36-3|4-Propylcyclohexanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048198
ARPathway2016 ARPathway2016_1439 4-Propylphenol 645-56-7 DTXSID9022100 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC1=CC=C(O)C=C1 4-Propylphenol 645-56-7|4-Propylphenol|1-Hydroxy-4-n-propylbenzene|4-n-Propylphenol|BRN 1363429|Dihydrochavicol|EINECS 211-446-2|FEMA No. 3649|Hydroxypropylbenzene, p-|NSC 65647|p-Propylphenol|Phenol, 4-propyl-|UNII-H27VG833JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022100
ARPathway2016 ARPathway2016_1439 4-Propylphenol 645-56-7 DTXSID9022100 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCC1=CC=C(O)C=C1 4-Propylphenol 645-56-7|4-Propylphenol|1-Hydroxy-4-n-propylbenzene|4-n-Propylphenol|BRN 1363429|Dihydrochavicol|EINECS 211-446-2|FEMA No. 3649|Hydroxypropylbenzene, p-|NSC 65647|p-Propylphenol|Phenol, 4-propyl-|UNII-H27VG833JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022100
ARPathway2016 ARPathway2016_1439 4-Propylphenol 645-56-7 DTXSID9022100 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCC1=CC=C(O)C=C1 4-Propylphenol 645-56-7|4-Propylphenol|1-Hydroxy-4-n-propylbenzene|4-n-Propylphenol|BRN 1363429|Dihydrochavicol|EINECS 211-446-2|FEMA No. 3649|Hydroxypropylbenzene, p-|NSC 65647|p-Propylphenol|Phenol, 4-propyl-|UNII-H27VG833JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022100
ARPathway2016 ARPathway2016_1439 4-Propylphenol 645-56-7 DTXSID9022100 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCC1=CC=C(O)C=C1 4-Propylphenol 645-56-7|4-Propylphenol|1-Hydroxy-4-n-propylbenzene|4-n-Propylphenol|BRN 1363429|Dihydrochavicol|EINECS 211-446-2|FEMA No. 3649|Hydroxypropylbenzene, p-|NSC 65647|p-Propylphenol|Phenol, 4-propyl-|UNII-H27VG833JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022100
ERPathway2016 ERPathway2016_314 4-Propylphenol 645-56-7 DTXSID9022100 ER Pathway Model, Antagonist AC50 45.210523800326 uM CCCC1=CC=C(O)C=C1 4-Propylphenol 645-56-7|4-Propylphenol|1-Hydroxy-4-n-propylbenzene|4-n-Propylphenol|BRN 1363429|Dihydrochavicol|EINECS 211-446-2|FEMA No. 3649|Hydroxypropylbenzene, p-|NSC 65647|p-Propylphenol|Phenol, 4-propyl-|UNII-H27VG833JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022100
ERPathway2016 ERPathway2016_314 4-Propylphenol 645-56-7 DTXSID9022100 ER Pathway Model, Antagonist ACC 22.5317858713979 uM CCCC1=CC=C(O)C=C1 4-Propylphenol 645-56-7|4-Propylphenol|1-Hydroxy-4-n-propylbenzene|4-n-Propylphenol|BRN 1363429|Dihydrochavicol|EINECS 211-446-2|FEMA No. 3649|Hydroxypropylbenzene, p-|NSC 65647|p-Propylphenol|Phenol, 4-propyl-|UNII-H27VG833JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022100
ERPathway2016 ERPathway2016_314 4-Propylphenol 645-56-7 DTXSID9022100 ER Pathway Model, Agonist Model Score 0.0275 Unitless CCCC1=CC=C(O)C=C1 4-Propylphenol 645-56-7|4-Propylphenol|1-Hydroxy-4-n-propylbenzene|4-n-Propylphenol|BRN 1363429|Dihydrochavicol|EINECS 211-446-2|FEMA No. 3649|Hydroxypropylbenzene, p-|NSC 65647|p-Propylphenol|Phenol, 4-propyl-|UNII-H27VG833JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022100
ERPathway2016 ERPathway2016_314 4-Propylphenol 645-56-7 DTXSID9022100 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC1=CC=C(O)C=C1 4-Propylphenol 645-56-7|4-Propylphenol|1-Hydroxy-4-n-propylbenzene|4-n-Propylphenol|BRN 1363429|Dihydrochavicol|EINECS 211-446-2|FEMA No. 3649|Hydroxypropylbenzene, p-|NSC 65647|p-Propylphenol|Phenol, 4-propyl-|UNII-H27VG833JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022100
ERPathway2016 ERPathway2016_314 4-Propylphenol 645-56-7 DTXSID9022100 ER Pathway Model, Agonist Call Inactive Unitless CCCC1=CC=C(O)C=C1 4-Propylphenol 645-56-7|4-Propylphenol|1-Hydroxy-4-n-propylbenzene|4-n-Propylphenol|BRN 1363429|Dihydrochavicol|EINECS 211-446-2|FEMA No. 3649|Hydroxypropylbenzene, p-|NSC 65647|p-Propylphenol|Phenol, 4-propyl-|UNII-H27VG833JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022100
ERPathway2016 ERPathway2016_314 4-Propylphenol 645-56-7 DTXSID9022100 ER Pathway Model, Antagonist Call Active Unitless CCCC1=CC=C(O)C=C1 4-Propylphenol 645-56-7|4-Propylphenol|1-Hydroxy-4-n-propylbenzene|4-n-Propylphenol|BRN 1363429|Dihydrochavicol|EINECS 211-446-2|FEMA No. 3649|Hydroxypropylbenzene, p-|NSC 65647|p-Propylphenol|Phenol, 4-propyl-|UNII-H27VG833JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022100
ARPathway2016 ARPathway2016_1546 4-tert-Butylaniline 769-92-6 DTXSID0048181 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC=C(N)C=C1 4-tert-Butylaniline 769-92-6|4-tert-Butylaniline|EINECS 212-215-9|UNII-47H9440ZOW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048181
ARPathway2016 ARPathway2016_1546 4-tert-Butylaniline 769-92-6 DTXSID0048181 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC=C(N)C=C1 4-tert-Butylaniline 769-92-6|4-tert-Butylaniline|EINECS 212-215-9|UNII-47H9440ZOW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048181
ARPathway2016 ARPathway2016_1546 4-tert-Butylaniline 769-92-6 DTXSID0048181 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC=C(N)C=C1 4-tert-Butylaniline 769-92-6|4-tert-Butylaniline|EINECS 212-215-9|UNII-47H9440ZOW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048181
ARPathway2016 ARPathway2016_1546 4-tert-Butylaniline 769-92-6 DTXSID0048181 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC=C(N)C=C1 4-tert-Butylaniline 769-92-6|4-tert-Butylaniline|EINECS 212-215-9|UNII-47H9440ZOW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048181
ERPathway2016 ERPathway2016_443 4-tert-Butylaniline 769-92-6 DTXSID0048181 ER Pathway Model, Antagonist AC50 54.0852159862653 uM CC(C)(C)C1=CC=C(N)C=C1 4-tert-Butylaniline 769-92-6|4-tert-Butylaniline|EINECS 212-215-9|UNII-47H9440ZOW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048181
ERPathway2016 ERPathway2016_443 4-tert-Butylaniline 769-92-6 DTXSID0048181 ER Pathway Model, Antagonist ACC 66.0093575077546 uM CC(C)(C)C1=CC=C(N)C=C1 4-tert-Butylaniline 769-92-6|4-tert-Butylaniline|EINECS 212-215-9|UNII-47H9440ZOW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048181
ERPathway2016 ERPathway2016_443 4-tert-Butylaniline 769-92-6 DTXSID0048181 ER Pathway Model, Agonist Model Score 0.00506 Unitless CC(C)(C)C1=CC=C(N)C=C1 4-tert-Butylaniline 769-92-6|4-tert-Butylaniline|EINECS 212-215-9|UNII-47H9440ZOW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048181
ERPathway2016 ERPathway2016_443 4-tert-Butylaniline 769-92-6 DTXSID0048181 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC=C(N)C=C1 4-tert-Butylaniline 769-92-6|4-tert-Butylaniline|EINECS 212-215-9|UNII-47H9440ZOW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048181
ERPathway2016 ERPathway2016_443 4-tert-Butylaniline 769-92-6 DTXSID0048181 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC=C(N)C=C1 4-tert-Butylaniline 769-92-6|4-tert-Butylaniline|EINECS 212-215-9|UNII-47H9440ZOW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048181
ERPathway2016 ERPathway2016_443 4-tert-Butylaniline 769-92-6 DTXSID0048181 ER Pathway Model, Antagonist Call Active Unitless CC(C)(C)C1=CC=C(N)C=C1 4-tert-Butylaniline 769-92-6|4-tert-Butylaniline|EINECS 212-215-9|UNII-47H9440ZOW https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048181
ARPathway2016 ARPathway2016_1028 4-tert-Butylbenzenethiol 2396-68-1 DTXSID9048196 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC=C(S)C=C1 4-tert-Butylbenzenethiol 2396-68-1|4-tert-Butylbenzenethiol|4-06-00-03316|4-tert-Butylthiophenol|Benzenethiol, p-tert-butylthio-|BRN 0606476|EINECS 219-255-6|NSC 26804|NSC 57807|p-tert-Butylbenzenethiol|p-tert-Butylphenyl mercaptan|p-tert-Butylthiophenol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048196
ARPathway2016 ARPathway2016_1028 4-tert-Butylbenzenethiol 2396-68-1 DTXSID9048196 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC=C(S)C=C1 4-tert-Butylbenzenethiol 2396-68-1|4-tert-Butylbenzenethiol|4-06-00-03316|4-tert-Butylthiophenol|Benzenethiol, p-tert-butylthio-|BRN 0606476|EINECS 219-255-6|NSC 26804|NSC 57807|p-tert-Butylbenzenethiol|p-tert-Butylphenyl mercaptan|p-tert-Butylthiophenol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048196
ARPathway2016 ARPathway2016_1028 4-tert-Butylbenzenethiol 2396-68-1 DTXSID9048196 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC=C(S)C=C1 4-tert-Butylbenzenethiol 2396-68-1|4-tert-Butylbenzenethiol|4-06-00-03316|4-tert-Butylthiophenol|Benzenethiol, p-tert-butylthio-|BRN 0606476|EINECS 219-255-6|NSC 26804|NSC 57807|p-tert-Butylbenzenethiol|p-tert-Butylphenyl mercaptan|p-tert-Butylthiophenol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048196
ARPathway2016 ARPathway2016_1028 4-tert-Butylbenzenethiol 2396-68-1 DTXSID9048196 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC=C(S)C=C1 4-tert-Butylbenzenethiol 2396-68-1|4-tert-Butylbenzenethiol|4-06-00-03316|4-tert-Butylthiophenol|Benzenethiol, p-tert-butylthio-|BRN 0606476|EINECS 219-255-6|NSC 26804|NSC 57807|p-tert-Butylbenzenethiol|p-tert-Butylphenyl mercaptan|p-tert-Butylthiophenol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048196
ERPathway2016 ERPathway2016_327 4-tert-Butylbenzenethiol 2396-68-1 DTXSID9048196 R3 ER Pathway Model, Antagonist AC50 0.548966190345196 uM CC(C)(C)C1=CC=C(S)C=C1 4-tert-Butylbenzenethiol 2396-68-1|4-tert-Butylbenzenethiol|4-06-00-03316|4-tert-Butylthiophenol|Benzenethiol, p-tert-butylthio-|BRN 0606476|EINECS 219-255-6|NSC 26804|NSC 57807|p-tert-Butylbenzenethiol|p-tert-Butylphenyl mercaptan|p-tert-Butylthiophenol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048196
ERPathway2016 ERPathway2016_327 4-tert-Butylbenzenethiol 2396-68-1 DTXSID9048196 R3 ER Pathway Model, Antagonist ACC 0.185088835502551 uM CC(C)(C)C1=CC=C(S)C=C1 4-tert-Butylbenzenethiol 2396-68-1|4-tert-Butylbenzenethiol|4-06-00-03316|4-tert-Butylthiophenol|Benzenethiol, p-tert-butylthio-|BRN 0606476|EINECS 219-255-6|NSC 26804|NSC 57807|p-tert-Butylbenzenethiol|p-tert-Butylphenyl mercaptan|p-tert-Butylthiophenol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048196
ERPathway2016 ERPathway2016_327 4-tert-Butylbenzenethiol 2396-68-1 DTXSID9048196 R3 ER Pathway Model, Agonist Model Score 0.0234 Unitless CC(C)(C)C1=CC=C(S)C=C1 4-tert-Butylbenzenethiol 2396-68-1|4-tert-Butylbenzenethiol|4-06-00-03316|4-tert-Butylthiophenol|Benzenethiol, p-tert-butylthio-|BRN 0606476|EINECS 219-255-6|NSC 26804|NSC 57807|p-tert-Butylbenzenethiol|p-tert-Butylphenyl mercaptan|p-tert-Butylthiophenol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048196
ERPathway2016 ERPathway2016_327 4-tert-Butylbenzenethiol 2396-68-1 DTXSID9048196 R3 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC=C(S)C=C1 4-tert-Butylbenzenethiol 2396-68-1|4-tert-Butylbenzenethiol|4-06-00-03316|4-tert-Butylthiophenol|Benzenethiol, p-tert-butylthio-|BRN 0606476|EINECS 219-255-6|NSC 26804|NSC 57807|p-tert-Butylbenzenethiol|p-tert-Butylphenyl mercaptan|p-tert-Butylthiophenol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048196
ERPathway2016 ERPathway2016_327 4-tert-Butylbenzenethiol 2396-68-1 DTXSID9048196 R3 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC=C(S)C=C1 4-tert-Butylbenzenethiol 2396-68-1|4-tert-Butylbenzenethiol|4-06-00-03316|4-tert-Butylthiophenol|Benzenethiol, p-tert-butylthio-|BRN 0606476|EINECS 219-255-6|NSC 26804|NSC 57807|p-tert-Butylbenzenethiol|p-tert-Butylphenyl mercaptan|p-tert-Butylthiophenol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048196
ERPathway2016 ERPathway2016_327 4-tert-Butylbenzenethiol 2396-68-1 DTXSID9048196 R3 ER Pathway Model, Antagonist Call Active Unitless CC(C)(C)C1=CC=C(S)C=C1 4-tert-Butylbenzenethiol 2396-68-1|4-tert-Butylbenzenethiol|4-06-00-03316|4-tert-Butylthiophenol|Benzenethiol, p-tert-butylthio-|BRN 0606476|EINECS 219-255-6|NSC 26804|NSC 57807|p-tert-Butylbenzenethiol|p-tert-Butylphenyl mercaptan|p-tert-Butylthiophenol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048196
ARPathway2016 ARPathway2016_1800 4-tert-Butylcyclohexanol 98-52-2 DTXSID5026623 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1CCC(O)CC1 4-tert-Butylcyclohexanol 98-52-2|4-tert-Butylcyclohexanol|1-06-00-00018|BRN 1902277|Cyclohexanol, 4-(1,1-dimethylethyl)-|EINECS 202-676-4|NSC 404197|p-tert-Butylcyclohexanol|Padaryl|UNII-K0H1405S9C https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026623
ARPathway2016 ARPathway2016_1800 4-tert-Butylcyclohexanol 98-52-2 DTXSID5026623 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1CCC(O)CC1 4-tert-Butylcyclohexanol 98-52-2|4-tert-Butylcyclohexanol|1-06-00-00018|BRN 1902277|Cyclohexanol, 4-(1,1-dimethylethyl)-|EINECS 202-676-4|NSC 404197|p-tert-Butylcyclohexanol|Padaryl|UNII-K0H1405S9C https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026623
ARPathway2016 ARPathway2016_1800 4-tert-Butylcyclohexanol 98-52-2 DTXSID5026623 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1CCC(O)CC1 4-tert-Butylcyclohexanol 98-52-2|4-tert-Butylcyclohexanol|1-06-00-00018|BRN 1902277|Cyclohexanol, 4-(1,1-dimethylethyl)-|EINECS 202-676-4|NSC 404197|p-tert-Butylcyclohexanol|Padaryl|UNII-K0H1405S9C https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026623
ARPathway2016 ARPathway2016_1800 4-tert-Butylcyclohexanol 98-52-2 DTXSID5026623 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1CCC(O)CC1 4-tert-Butylcyclohexanol 98-52-2|4-tert-Butylcyclohexanol|1-06-00-00018|BRN 1902277|Cyclohexanol, 4-(1,1-dimethylethyl)-|EINECS 202-676-4|NSC 404197|p-tert-Butylcyclohexanol|Padaryl|UNII-K0H1405S9C https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026623
ERPathway2016 ERPathway2016_828 4-tert-Butylcyclohexanol 98-52-2 DTXSID5026623 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1CCC(O)CC1 4-tert-Butylcyclohexanol 98-52-2|4-tert-Butylcyclohexanol|1-06-00-00018|BRN 1902277|Cyclohexanol, 4-(1,1-dimethylethyl)-|EINECS 202-676-4|NSC 404197|p-tert-Butylcyclohexanol|Padaryl|UNII-K0H1405S9C https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026623
ERPathway2016 ERPathway2016_828 4-tert-Butylcyclohexanol 98-52-2 DTXSID5026623 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1CCC(O)CC1 4-tert-Butylcyclohexanol 98-52-2|4-tert-Butylcyclohexanol|1-06-00-00018|BRN 1902277|Cyclohexanol, 4-(1,1-dimethylethyl)-|EINECS 202-676-4|NSC 404197|p-tert-Butylcyclohexanol|Padaryl|UNII-K0H1405S9C https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026623
ERPathway2016 ERPathway2016_828 4-tert-Butylcyclohexanol 98-52-2 DTXSID5026623 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1CCC(O)CC1 4-tert-Butylcyclohexanol 98-52-2|4-tert-Butylcyclohexanol|1-06-00-00018|BRN 1902277|Cyclohexanol, 4-(1,1-dimethylethyl)-|EINECS 202-676-4|NSC 404197|p-tert-Butylcyclohexanol|Padaryl|UNII-K0H1405S9C https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026623
ERPathway2016 ERPathway2016_828 4-tert-Butylcyclohexanol 98-52-2 DTXSID5026623 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1CCC(O)CC1 4-tert-Butylcyclohexanol 98-52-2|4-tert-Butylcyclohexanol|1-06-00-00018|BRN 1902277|Cyclohexanol, 4-(1,1-dimethylethyl)-|EINECS 202-676-4|NSC 404197|p-tert-Butylcyclohexanol|Padaryl|UNII-K0H1405S9C https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026623
ARPathway2016 ARPathway2016_1801 4-tert-Butylcyclohexanone 98-53-3 DTXSID7044394 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1CCC(=O)CC1 4-tert-Butylcyclohexanone 98-53-3|4-tert-Butylcyclohexanone|. P-Tert-Butyl-Cyclohexanone|4-(1,1-Dimethylethyl)cyclohexanone|4-07-00-00082|4-terc-butilciclohexanona|4-tert-Butylcyclohexanon|BRN 0507309|Cyclohexanone, 4-(1,1-dimethylethyl)-|CYCLOHEXANONE, 4-TERT-BUTYL-|Cyclohexanone,4-(1,1-dimethylethyl)-|EINECS 202-678-5|NSC 73717|p-tert-Butylcyclohexanone|g-tert-Butylcyclohexanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044394
ARPathway2016 ARPathway2016_1801 4-tert-Butylcyclohexanone 98-53-3 DTXSID7044394 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1CCC(=O)CC1 4-tert-Butylcyclohexanone 98-53-3|4-tert-Butylcyclohexanone|. P-Tert-Butyl-Cyclohexanone|4-(1,1-Dimethylethyl)cyclohexanone|4-07-00-00082|4-terc-butilciclohexanona|4-tert-Butylcyclohexanon|BRN 0507309|Cyclohexanone, 4-(1,1-dimethylethyl)-|CYCLOHEXANONE, 4-TERT-BUTYL-|Cyclohexanone,4-(1,1-dimethylethyl)-|EINECS 202-678-5|NSC 73717|p-tert-Butylcyclohexanone|g-tert-Butylcyclohexanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044394
ARPathway2016 ARPathway2016_1801 4-tert-Butylcyclohexanone 98-53-3 DTXSID7044394 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1CCC(=O)CC1 4-tert-Butylcyclohexanone 98-53-3|4-tert-Butylcyclohexanone|. P-Tert-Butyl-Cyclohexanone|4-(1,1-Dimethylethyl)cyclohexanone|4-07-00-00082|4-terc-butilciclohexanona|4-tert-Butylcyclohexanon|BRN 0507309|Cyclohexanone, 4-(1,1-dimethylethyl)-|CYCLOHEXANONE, 4-TERT-BUTYL-|Cyclohexanone,4-(1,1-dimethylethyl)-|EINECS 202-678-5|NSC 73717|p-tert-Butylcyclohexanone|g-tert-Butylcyclohexanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044394
ARPathway2016 ARPathway2016_1801 4-tert-Butylcyclohexanone 98-53-3 DTXSID7044394 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1CCC(=O)CC1 4-tert-Butylcyclohexanone 98-53-3|4-tert-Butylcyclohexanone|. P-Tert-Butyl-Cyclohexanone|4-(1,1-Dimethylethyl)cyclohexanone|4-07-00-00082|4-terc-butilciclohexanona|4-tert-Butylcyclohexanon|BRN 0507309|Cyclohexanone, 4-(1,1-dimethylethyl)-|CYCLOHEXANONE, 4-TERT-BUTYL-|Cyclohexanone,4-(1,1-dimethylethyl)-|EINECS 202-678-5|NSC 73717|p-tert-Butylcyclohexanone|g-tert-Butylcyclohexanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044394
ERPathway2016 ERPathway2016_835 4-tert-Butylcyclohexanone 98-53-3 DTXSID7044394 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1CCC(=O)CC1 4-tert-Butylcyclohexanone 98-53-3|4-tert-Butylcyclohexanone|. P-Tert-Butyl-Cyclohexanone|4-(1,1-Dimethylethyl)cyclohexanone|4-07-00-00082|4-terc-butilciclohexanona|4-tert-Butylcyclohexanon|BRN 0507309|Cyclohexanone, 4-(1,1-dimethylethyl)-|CYCLOHEXANONE, 4-TERT-BUTYL-|Cyclohexanone,4-(1,1-dimethylethyl)-|EINECS 202-678-5|NSC 73717|p-tert-Butylcyclohexanone|g-tert-Butylcyclohexanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044394
ERPathway2016 ERPathway2016_835 4-tert-Butylcyclohexanone 98-53-3 DTXSID7044394 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1CCC(=O)CC1 4-tert-Butylcyclohexanone 98-53-3|4-tert-Butylcyclohexanone|. P-Tert-Butyl-Cyclohexanone|4-(1,1-Dimethylethyl)cyclohexanone|4-07-00-00082|4-terc-butilciclohexanona|4-tert-Butylcyclohexanon|BRN 0507309|Cyclohexanone, 4-(1,1-dimethylethyl)-|CYCLOHEXANONE, 4-TERT-BUTYL-|Cyclohexanone,4-(1,1-dimethylethyl)-|EINECS 202-678-5|NSC 73717|p-tert-Butylcyclohexanone|g-tert-Butylcyclohexanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044394
ERPathway2016 ERPathway2016_835 4-tert-Butylcyclohexanone 98-53-3 DTXSID7044394 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1CCC(=O)CC1 4-tert-Butylcyclohexanone 98-53-3|4-tert-Butylcyclohexanone|. P-Tert-Butyl-Cyclohexanone|4-(1,1-Dimethylethyl)cyclohexanone|4-07-00-00082|4-terc-butilciclohexanona|4-tert-Butylcyclohexanon|BRN 0507309|Cyclohexanone, 4-(1,1-dimethylethyl)-|CYCLOHEXANONE, 4-TERT-BUTYL-|Cyclohexanone,4-(1,1-dimethylethyl)-|EINECS 202-678-5|NSC 73717|p-tert-Butylcyclohexanone|g-tert-Butylcyclohexanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044394
ERPathway2016 ERPathway2016_835 4-tert-Butylcyclohexanone 98-53-3 DTXSID7044394 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1CCC(=O)CC1 4-tert-Butylcyclohexanone 98-53-3|4-tert-Butylcyclohexanone|. P-Tert-Butyl-Cyclohexanone|4-(1,1-Dimethylethyl)cyclohexanone|4-07-00-00082|4-terc-butilciclohexanona|4-tert-Butylcyclohexanon|BRN 0507309|Cyclohexanone, 4-(1,1-dimethylethyl)-|CYCLOHEXANONE, 4-TERT-BUTYL-|Cyclohexanone,4-(1,1-dimethylethyl)-|EINECS 202-678-5|NSC 73717|p-tert-Butylcyclohexanone|g-tert-Butylcyclohexanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044394
ARPathway2016 ARPathway2016_1658 4-tert-Butylphenyl salicylate 87-18-3 DTXSID9037745 1.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC=C(OC(=O)C2=C(O)C=CC=C2)C=C1 4-tert-Butylphenyl salicylate 87-18-3|4-tert-Butylphenyl salicylate|3-10-00-00133|Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylethyl)phenyl ester|benzoic acid,2-hydroxy-,4-(1,1-dimethylethyl)-phenyl ester|BRN 2130191|EINECS 201-728-3|NSC 33404|p-terc.Butylfenylester kyseliny salicylove|p-tert-Butylphenyl salicylate|Salicyclic acid p-tert-butylphenyl ester|Seesorb 202|Sumisorb 90|UNII-V0H9R55TGV|UV Absorber NL 3|138464-71-8|68027-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037745
ARPathway2016 ARPathway2016_1658 4-tert-Butylphenyl salicylate 87-18-3 DTXSID9037745 1.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC=C(OC(=O)C2=C(O)C=CC=C2)C=C1 4-tert-Butylphenyl salicylate 87-18-3|4-tert-Butylphenyl salicylate|3-10-00-00133|Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylethyl)phenyl ester|benzoic acid,2-hydroxy-,4-(1,1-dimethylethyl)-phenyl ester|BRN 2130191|EINECS 201-728-3|NSC 33404|p-terc.Butylfenylester kyseliny salicylove|p-tert-Butylphenyl salicylate|Salicyclic acid p-tert-butylphenyl ester|Seesorb 202|Sumisorb 90|UNII-V0H9R55TGV|UV Absorber NL 3|138464-71-8|68027-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037745
ARPathway2016 ARPathway2016_1658 4-tert-Butylphenyl salicylate 87-18-3 DTXSID9037745 1.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC=C(OC(=O)C2=C(O)C=CC=C2)C=C1 4-tert-Butylphenyl salicylate 87-18-3|4-tert-Butylphenyl salicylate|3-10-00-00133|Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylethyl)phenyl ester|benzoic acid,2-hydroxy-,4-(1,1-dimethylethyl)-phenyl ester|BRN 2130191|EINECS 201-728-3|NSC 33404|p-terc.Butylfenylester kyseliny salicylove|p-tert-Butylphenyl salicylate|Salicyclic acid p-tert-butylphenyl ester|Seesorb 202|Sumisorb 90|UNII-V0H9R55TGV|UV Absorber NL 3|138464-71-8|68027-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037745
ARPathway2016 ARPathway2016_1658 4-tert-Butylphenyl salicylate 87-18-3 DTXSID9037745 1.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC=C(OC(=O)C2=C(O)C=CC=C2)C=C1 4-tert-Butylphenyl salicylate 87-18-3|4-tert-Butylphenyl salicylate|3-10-00-00133|Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylethyl)phenyl ester|benzoic acid,2-hydroxy-,4-(1,1-dimethylethyl)-phenyl ester|BRN 2130191|EINECS 201-728-3|NSC 33404|p-terc.Butylfenylester kyseliny salicylove|p-tert-Butylphenyl salicylate|Salicyclic acid p-tert-butylphenyl ester|Seesorb 202|Sumisorb 90|UNII-V0H9R55TGV|UV Absorber NL 3|138464-71-8|68027-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037745
ERPathway2016 ERPathway2016_279 4-tert-Butylphenyl salicylate 87-18-3 DTXSID9037745 ER Pathway Model, Antagonist AC50 19.022584653789 uM CC(C)(C)C1=CC=C(OC(=O)C2=C(O)C=CC=C2)C=C1 4-tert-Butylphenyl salicylate 87-18-3|4-tert-Butylphenyl salicylate|3-10-00-00133|Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylethyl)phenyl ester|benzoic acid,2-hydroxy-,4-(1,1-dimethylethyl)-phenyl ester|BRN 2130191|EINECS 201-728-3|NSC 33404|p-terc.Butylfenylester kyseliny salicylove|p-tert-Butylphenyl salicylate|Salicyclic acid p-tert-butylphenyl ester|Seesorb 202|Sumisorb 90|UNII-V0H9R55TGV|UV Absorber NL 3|138464-71-8|68027-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037745
ERPathway2016 ERPathway2016_279 4-tert-Butylphenyl salicylate 87-18-3 DTXSID9037745 ER Pathway Model, Antagonist ACC 18.0379458538237 uM CC(C)(C)C1=CC=C(OC(=O)C2=C(O)C=CC=C2)C=C1 4-tert-Butylphenyl salicylate 87-18-3|4-tert-Butylphenyl salicylate|3-10-00-00133|Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylethyl)phenyl ester|benzoic acid,2-hydroxy-,4-(1,1-dimethylethyl)-phenyl ester|BRN 2130191|EINECS 201-728-3|NSC 33404|p-terc.Butylfenylester kyseliny salicylove|p-tert-Butylphenyl salicylate|Salicyclic acid p-tert-butylphenyl ester|Seesorb 202|Sumisorb 90|UNII-V0H9R55TGV|UV Absorber NL 3|138464-71-8|68027-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037745
ERPathway2016 ERPathway2016_279 4-tert-Butylphenyl salicylate 87-18-3 DTXSID9037745 ER Pathway Model, Agonist Model Score 0.0488 Unitless CC(C)(C)C1=CC=C(OC(=O)C2=C(O)C=CC=C2)C=C1 4-tert-Butylphenyl salicylate 87-18-3|4-tert-Butylphenyl salicylate|3-10-00-00133|Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylethyl)phenyl ester|benzoic acid,2-hydroxy-,4-(1,1-dimethylethyl)-phenyl ester|BRN 2130191|EINECS 201-728-3|NSC 33404|p-terc.Butylfenylester kyseliny salicylove|p-tert-Butylphenyl salicylate|Salicyclic acid p-tert-butylphenyl ester|Seesorb 202|Sumisorb 90|UNII-V0H9R55TGV|UV Absorber NL 3|138464-71-8|68027-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037745
ERPathway2016 ERPathway2016_279 4-tert-Butylphenyl salicylate 87-18-3 DTXSID9037745 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC=C(OC(=O)C2=C(O)C=CC=C2)C=C1 4-tert-Butylphenyl salicylate 87-18-3|4-tert-Butylphenyl salicylate|3-10-00-00133|Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylethyl)phenyl ester|benzoic acid,2-hydroxy-,4-(1,1-dimethylethyl)-phenyl ester|BRN 2130191|EINECS 201-728-3|NSC 33404|p-terc.Butylfenylester kyseliny salicylove|p-tert-Butylphenyl salicylate|Salicyclic acid p-tert-butylphenyl ester|Seesorb 202|Sumisorb 90|UNII-V0H9R55TGV|UV Absorber NL 3|138464-71-8|68027-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037745
ERPathway2016 ERPathway2016_279 4-tert-Butylphenyl salicylate 87-18-3 DTXSID9037745 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC=C(OC(=O)C2=C(O)C=CC=C2)C=C1 4-tert-Butylphenyl salicylate 87-18-3|4-tert-Butylphenyl salicylate|3-10-00-00133|Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylethyl)phenyl ester|benzoic acid,2-hydroxy-,4-(1,1-dimethylethyl)-phenyl ester|BRN 2130191|EINECS 201-728-3|NSC 33404|p-terc.Butylfenylester kyseliny salicylove|p-tert-Butylphenyl salicylate|Salicyclic acid p-tert-butylphenyl ester|Seesorb 202|Sumisorb 90|UNII-V0H9R55TGV|UV Absorber NL 3|138464-71-8|68027-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037745
ERPathway2016 ERPathway2016_279 4-tert-Butylphenyl salicylate 87-18-3 DTXSID9037745 ER Pathway Model, Antagonist Call Active Unitless CC(C)(C)C1=CC=C(OC(=O)C2=C(O)C=CC=C2)C=C1 4-tert-Butylphenyl salicylate 87-18-3|4-tert-Butylphenyl salicylate|3-10-00-00133|Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylethyl)phenyl ester|benzoic acid,2-hydroxy-,4-(1,1-dimethylethyl)-phenyl ester|BRN 2130191|EINECS 201-728-3|NSC 33404|p-terc.Butylfenylester kyseliny salicylove|p-tert-Butylphenyl salicylate|Salicyclic acid p-tert-butylphenyl ester|Seesorb 202|Sumisorb 90|UNII-V0H9R55TGV|UV Absorber NL 3|138464-71-8|68027-19-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037745
ARPathway2016 ARPathway2016_1799 4-tert-Butyltoluene 98-51-1 DTXSID1024704 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C=C1)C(C)(C)C 4-tert-Butyltoluene 98-51-1|4-tert-Butyltoluene|1-Methyl-4-tert-butylbenzene|1-tert-Butyl-4-methylbenzene|4-05-00-01097|4-Methyl-tert-butylbenzene|4-tert-Butyl-1-methylbenzene|8-Methylparacymene|Benzene, 1-(1,1-dimethylethyl)-4-methyl-|BRN 2038670|EINECS 202-675-9|NSC 6589|p-Methyl-tert-butylbenzene|p-t-Butyltoluene|UNII-589519D43L https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024704 https://doi.org/10.22427/NTP-DATA-DTXSID1024704
ARPathway2016 ARPathway2016_1799 4-tert-Butyltoluene 98-51-1 DTXSID1024704 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C=C1)C(C)(C)C 4-tert-Butyltoluene 98-51-1|4-tert-Butyltoluene|1-Methyl-4-tert-butylbenzene|1-tert-Butyl-4-methylbenzene|4-05-00-01097|4-Methyl-tert-butylbenzene|4-tert-Butyl-1-methylbenzene|8-Methylparacymene|Benzene, 1-(1,1-dimethylethyl)-4-methyl-|BRN 2038670|EINECS 202-675-9|NSC 6589|p-Methyl-tert-butylbenzene|p-t-Butyltoluene|UNII-589519D43L https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024704 https://doi.org/10.22427/NTP-DATA-DTXSID1024704
ARPathway2016 ARPathway2016_1799 4-tert-Butyltoluene 98-51-1 DTXSID1024704 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C=C1)C(C)(C)C 4-tert-Butyltoluene 98-51-1|4-tert-Butyltoluene|1-Methyl-4-tert-butylbenzene|1-tert-Butyl-4-methylbenzene|4-05-00-01097|4-Methyl-tert-butylbenzene|4-tert-Butyl-1-methylbenzene|8-Methylparacymene|Benzene, 1-(1,1-dimethylethyl)-4-methyl-|BRN 2038670|EINECS 202-675-9|NSC 6589|p-Methyl-tert-butylbenzene|p-t-Butyltoluene|UNII-589519D43L https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024704 https://doi.org/10.22427/NTP-DATA-DTXSID1024704
ARPathway2016 ARPathway2016_1799 4-tert-Butyltoluene 98-51-1 DTXSID1024704 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C=C1)C(C)(C)C 4-tert-Butyltoluene 98-51-1|4-tert-Butyltoluene|1-Methyl-4-tert-butylbenzene|1-tert-Butyl-4-methylbenzene|4-05-00-01097|4-Methyl-tert-butylbenzene|4-tert-Butyl-1-methylbenzene|8-Methylparacymene|Benzene, 1-(1,1-dimethylethyl)-4-methyl-|BRN 2038670|EINECS 202-675-9|NSC 6589|p-Methyl-tert-butylbenzene|p-t-Butyltoluene|UNII-589519D43L https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024704 https://doi.org/10.22427/NTP-DATA-DTXSID1024704
ERPathway2016 ERPathway2016_1789 4-tert-Butyltoluene 98-51-1 DTXSID1024704 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C=C1)C(C)(C)C 4-tert-Butyltoluene 98-51-1|4-tert-Butyltoluene|1-Methyl-4-tert-butylbenzene|1-tert-Butyl-4-methylbenzene|4-05-00-01097|4-Methyl-tert-butylbenzene|4-tert-Butyl-1-methylbenzene|8-Methylparacymene|Benzene, 1-(1,1-dimethylethyl)-4-methyl-|BRN 2038670|EINECS 202-675-9|NSC 6589|p-Methyl-tert-butylbenzene|p-t-Butyltoluene|UNII-589519D43L https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024704 https://doi.org/10.22427/NTP-DATA-DTXSID1024704
ERPathway2016 ERPathway2016_1789 4-tert-Butyltoluene 98-51-1 DTXSID1024704 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C=C1)C(C)(C)C 4-tert-Butyltoluene 98-51-1|4-tert-Butyltoluene|1-Methyl-4-tert-butylbenzene|1-tert-Butyl-4-methylbenzene|4-05-00-01097|4-Methyl-tert-butylbenzene|4-tert-Butyl-1-methylbenzene|8-Methylparacymene|Benzene, 1-(1,1-dimethylethyl)-4-methyl-|BRN 2038670|EINECS 202-675-9|NSC 6589|p-Methyl-tert-butylbenzene|p-t-Butyltoluene|UNII-589519D43L https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024704 https://doi.org/10.22427/NTP-DATA-DTXSID1024704
ERPathway2016 ERPathway2016_1789 4-tert-Butyltoluene 98-51-1 DTXSID1024704 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C=C1)C(C)(C)C 4-tert-Butyltoluene 98-51-1|4-tert-Butyltoluene|1-Methyl-4-tert-butylbenzene|1-tert-Butyl-4-methylbenzene|4-05-00-01097|4-Methyl-tert-butylbenzene|4-tert-Butyl-1-methylbenzene|8-Methylparacymene|Benzene, 1-(1,1-dimethylethyl)-4-methyl-|BRN 2038670|EINECS 202-675-9|NSC 6589|p-Methyl-tert-butylbenzene|p-t-Butyltoluene|UNII-589519D43L https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024704 https://doi.org/10.22427/NTP-DATA-DTXSID1024704
ERPathway2016 ERPathway2016_1789 4-tert-Butyltoluene 98-51-1 DTXSID1024704 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C=C1)C(C)(C)C 4-tert-Butyltoluene 98-51-1|4-tert-Butyltoluene|1-Methyl-4-tert-butylbenzene|1-tert-Butyl-4-methylbenzene|4-05-00-01097|4-Methyl-tert-butylbenzene|4-tert-Butyl-1-methylbenzene|8-Methylparacymene|Benzene, 1-(1,1-dimethylethyl)-4-methyl-|BRN 2038670|EINECS 202-675-9|NSC 6589|p-Methyl-tert-butylbenzene|p-t-Butyltoluene|UNII-589519D43L https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024704 https://doi.org/10.22427/NTP-DATA-DTXSID1024704
ARPathway2016 ARPathway2016_473 4-Thiocresol 106-45-6 DTXSID5048188 1.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(S)C=C1 4-Thiocresol 106-45-6|4-Thiocresol|1-Mercapto-4-methylbenzene|4-06-00-02153|4-Mercaptotoluene|4-Methyl-1-thiophenol|4-Methylbenzenethiol|4-Methylphenyl mercaptan|4-Methylphenylmercaptan|4-Methylphenylthiol|4-Methylthiophenol|4-Toluenethiol|Benzenethiol, 4-methyl-|BRN 0605761|EINECS 203-399-1|NSC 2227|NSC 229565|p-Mercaptotoluene|p-Methylbenzenethiol|p-Methylbenzenthiol|p-Methylphenyl mercaptan|p-Methylphenylmercaptan|p-Methylphenylthiol|p-Methylthiophenol|p-Thiocresol|p-Thiolcresol|p-Toluenethiol|p-Tolyl mercaptan|p-Tolylthiol|p-Tolylthiophenol|THIOPHENOL, 4-METHYL-|toluene-4-thiol|Toluene, 4-mercapto-|tolueno-4-tiol|Toluol-4-thiol|UNII-6L2WW9XYZO|USAF EK-510 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048188
ARPathway2016 ARPathway2016_473 4-Thiocresol 106-45-6 DTXSID5048188 1.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(S)C=C1 4-Thiocresol 106-45-6|4-Thiocresol|1-Mercapto-4-methylbenzene|4-06-00-02153|4-Mercaptotoluene|4-Methyl-1-thiophenol|4-Methylbenzenethiol|4-Methylphenyl mercaptan|4-Methylphenylmercaptan|4-Methylphenylthiol|4-Methylthiophenol|4-Toluenethiol|Benzenethiol, 4-methyl-|BRN 0605761|EINECS 203-399-1|NSC 2227|NSC 229565|p-Mercaptotoluene|p-Methylbenzenethiol|p-Methylbenzenthiol|p-Methylphenyl mercaptan|p-Methylphenylmercaptan|p-Methylphenylthiol|p-Methylthiophenol|p-Thiocresol|p-Thiolcresol|p-Toluenethiol|p-Tolyl mercaptan|p-Tolylthiol|p-Tolylthiophenol|THIOPHENOL, 4-METHYL-|toluene-4-thiol|Toluene, 4-mercapto-|tolueno-4-tiol|Toluol-4-thiol|UNII-6L2WW9XYZO|USAF EK-510 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048188
ARPathway2016 ARPathway2016_473 4-Thiocresol 106-45-6 DTXSID5048188 1.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(S)C=C1 4-Thiocresol 106-45-6|4-Thiocresol|1-Mercapto-4-methylbenzene|4-06-00-02153|4-Mercaptotoluene|4-Methyl-1-thiophenol|4-Methylbenzenethiol|4-Methylphenyl mercaptan|4-Methylphenylmercaptan|4-Methylphenylthiol|4-Methylthiophenol|4-Toluenethiol|Benzenethiol, 4-methyl-|BRN 0605761|EINECS 203-399-1|NSC 2227|NSC 229565|p-Mercaptotoluene|p-Methylbenzenethiol|p-Methylbenzenthiol|p-Methylphenyl mercaptan|p-Methylphenylmercaptan|p-Methylphenylthiol|p-Methylthiophenol|p-Thiocresol|p-Thiolcresol|p-Toluenethiol|p-Tolyl mercaptan|p-Tolylthiol|p-Tolylthiophenol|THIOPHENOL, 4-METHYL-|toluene-4-thiol|Toluene, 4-mercapto-|tolueno-4-tiol|Toluol-4-thiol|UNII-6L2WW9XYZO|USAF EK-510 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048188
ARPathway2016 ARPathway2016_473 4-Thiocresol 106-45-6 DTXSID5048188 1.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(S)C=C1 4-Thiocresol 106-45-6|4-Thiocresol|1-Mercapto-4-methylbenzene|4-06-00-02153|4-Mercaptotoluene|4-Methyl-1-thiophenol|4-Methylbenzenethiol|4-Methylphenyl mercaptan|4-Methylphenylmercaptan|4-Methylphenylthiol|4-Methylthiophenol|4-Toluenethiol|Benzenethiol, 4-methyl-|BRN 0605761|EINECS 203-399-1|NSC 2227|NSC 229565|p-Mercaptotoluene|p-Methylbenzenethiol|p-Methylbenzenthiol|p-Methylphenyl mercaptan|p-Methylphenylmercaptan|p-Methylphenylthiol|p-Methylthiophenol|p-Thiocresol|p-Thiolcresol|p-Toluenethiol|p-Tolyl mercaptan|p-Tolylthiol|p-Tolylthiophenol|THIOPHENOL, 4-METHYL-|toluene-4-thiol|Toluene, 4-mercapto-|tolueno-4-tiol|Toluol-4-thiol|UNII-6L2WW9XYZO|USAF EK-510 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048188
ERPathway2016 ERPathway2016_758 4-Thiocresol 106-45-6 DTXSID5048188 A12 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(S)C=C1 4-Thiocresol 106-45-6|4-Thiocresol|1-Mercapto-4-methylbenzene|4-06-00-02153|4-Mercaptotoluene|4-Methyl-1-thiophenol|4-Methylbenzenethiol|4-Methylphenyl mercaptan|4-Methylphenylmercaptan|4-Methylphenylthiol|4-Methylthiophenol|4-Toluenethiol|Benzenethiol, 4-methyl-|BRN 0605761|EINECS 203-399-1|NSC 2227|NSC 229565|p-Mercaptotoluene|p-Methylbenzenethiol|p-Methylbenzenthiol|p-Methylphenyl mercaptan|p-Methylphenylmercaptan|p-Methylphenylthiol|p-Methylthiophenol|p-Thiocresol|p-Thiolcresol|p-Toluenethiol|p-Tolyl mercaptan|p-Tolylthiol|p-Tolylthiophenol|THIOPHENOL, 4-METHYL-|toluene-4-thiol|Toluene, 4-mercapto-|tolueno-4-tiol|Toluol-4-thiol|UNII-6L2WW9XYZO|USAF EK-510 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048188
ERPathway2016 ERPathway2016_758 4-Thiocresol 106-45-6 DTXSID5048188 A12 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(S)C=C1 4-Thiocresol 106-45-6|4-Thiocresol|1-Mercapto-4-methylbenzene|4-06-00-02153|4-Mercaptotoluene|4-Methyl-1-thiophenol|4-Methylbenzenethiol|4-Methylphenyl mercaptan|4-Methylphenylmercaptan|4-Methylphenylthiol|4-Methylthiophenol|4-Toluenethiol|Benzenethiol, 4-methyl-|BRN 0605761|EINECS 203-399-1|NSC 2227|NSC 229565|p-Mercaptotoluene|p-Methylbenzenethiol|p-Methylbenzenthiol|p-Methylphenyl mercaptan|p-Methylphenylmercaptan|p-Methylphenylthiol|p-Methylthiophenol|p-Thiocresol|p-Thiolcresol|p-Toluenethiol|p-Tolyl mercaptan|p-Tolylthiol|p-Tolylthiophenol|THIOPHENOL, 4-METHYL-|toluene-4-thiol|Toluene, 4-mercapto-|tolueno-4-tiol|Toluol-4-thiol|UNII-6L2WW9XYZO|USAF EK-510 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048188
ERPathway2016 ERPathway2016_758 4-Thiocresol 106-45-6 DTXSID5048188 A12 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(S)C=C1 4-Thiocresol 106-45-6|4-Thiocresol|1-Mercapto-4-methylbenzene|4-06-00-02153|4-Mercaptotoluene|4-Methyl-1-thiophenol|4-Methylbenzenethiol|4-Methylphenyl mercaptan|4-Methylphenylmercaptan|4-Methylphenylthiol|4-Methylthiophenol|4-Toluenethiol|Benzenethiol, 4-methyl-|BRN 0605761|EINECS 203-399-1|NSC 2227|NSC 229565|p-Mercaptotoluene|p-Methylbenzenethiol|p-Methylbenzenthiol|p-Methylphenyl mercaptan|p-Methylphenylmercaptan|p-Methylphenylthiol|p-Methylthiophenol|p-Thiocresol|p-Thiolcresol|p-Toluenethiol|p-Tolyl mercaptan|p-Tolylthiol|p-Tolylthiophenol|THIOPHENOL, 4-METHYL-|toluene-4-thiol|Toluene, 4-mercapto-|tolueno-4-tiol|Toluol-4-thiol|UNII-6L2WW9XYZO|USAF EK-510 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048188
ERPathway2016 ERPathway2016_758 4-Thiocresol 106-45-6 DTXSID5048188 A12 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(S)C=C1 4-Thiocresol 106-45-6|4-Thiocresol|1-Mercapto-4-methylbenzene|4-06-00-02153|4-Mercaptotoluene|4-Methyl-1-thiophenol|4-Methylbenzenethiol|4-Methylphenyl mercaptan|4-Methylphenylmercaptan|4-Methylphenylthiol|4-Methylthiophenol|4-Toluenethiol|Benzenethiol, 4-methyl-|BRN 0605761|EINECS 203-399-1|NSC 2227|NSC 229565|p-Mercaptotoluene|p-Methylbenzenethiol|p-Methylbenzenthiol|p-Methylphenyl mercaptan|p-Methylphenylmercaptan|p-Methylphenylthiol|p-Methylthiophenol|p-Thiocresol|p-Thiolcresol|p-Toluenethiol|p-Tolyl mercaptan|p-Tolylthiol|p-Tolylthiophenol|THIOPHENOL, 4-METHYL-|toluene-4-thiol|Toluene, 4-mercapto-|tolueno-4-tiol|Toluol-4-thiol|UNII-6L2WW9XYZO|USAF EK-510 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048188
ARPathway2016 ARPathway2016_1504 4-Toluenesulfonamide 70-55-3 DTXSID8029105 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C=C1)S(N)(=O)=O 4-Toluenesulfonamide 70-55-3|4-Toluenesulfonamide|4-11-00-00376|4-Methyl benzene sulphonamide|4-Methylbenzenesulfonamide|4-Methylphenylsulfonamide|4-Toluenesulfanamide|4-Toluenesulfonic acid, amide|4-Tolylsulfonamide|Benzenesulfonamide, 4-methyl-|BRN 0472689|EINECS 200-741-1|NSC 9908|p-Methylbenzenesulfonamide|p-Toluene sulphonamide|p-Toluenesulfamide|P-TOLUENESULFONAMIDE|p-Toluenesulfonylamide|P-TOLUOLSULFONAMID|p-Tolylsulfonamide|p-Tosylamide|PARA-TOLUENE SULFONAMIDE|para-Toluenesulfonamide|Plasticizer 15|TOLUENE-4-SULFONAMIDE|toluene-4-sulphonamide|Toluene-p-sulphonamide|tolueno-4-sulfonamida|Toluol-4-sulfonamid|Tolylsulfonamide|Topcizer 1S|Tosylamide|UNII-I8266RI90M|Uniplex 173 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029105 https://doi.org/10.22427/NTP-DATA-DTXSID8029105
ARPathway2016 ARPathway2016_1504 4-Toluenesulfonamide 70-55-3 DTXSID8029105 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C=C1)S(N)(=O)=O 4-Toluenesulfonamide 70-55-3|4-Toluenesulfonamide|4-11-00-00376|4-Methyl benzene sulphonamide|4-Methylbenzenesulfonamide|4-Methylphenylsulfonamide|4-Toluenesulfanamide|4-Toluenesulfonic acid, amide|4-Tolylsulfonamide|Benzenesulfonamide, 4-methyl-|BRN 0472689|EINECS 200-741-1|NSC 9908|p-Methylbenzenesulfonamide|p-Toluene sulphonamide|p-Toluenesulfamide|P-TOLUENESULFONAMIDE|p-Toluenesulfonylamide|P-TOLUOLSULFONAMID|p-Tolylsulfonamide|p-Tosylamide|PARA-TOLUENE SULFONAMIDE|para-Toluenesulfonamide|Plasticizer 15|TOLUENE-4-SULFONAMIDE|toluene-4-sulphonamide|Toluene-p-sulphonamide|tolueno-4-sulfonamida|Toluol-4-sulfonamid|Tolylsulfonamide|Topcizer 1S|Tosylamide|UNII-I8266RI90M|Uniplex 173 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029105 https://doi.org/10.22427/NTP-DATA-DTXSID8029105
ARPathway2016 ARPathway2016_1504 4-Toluenesulfonamide 70-55-3 DTXSID8029105 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C=C1)S(N)(=O)=O 4-Toluenesulfonamide 70-55-3|4-Toluenesulfonamide|4-11-00-00376|4-Methyl benzene sulphonamide|4-Methylbenzenesulfonamide|4-Methylphenylsulfonamide|4-Toluenesulfanamide|4-Toluenesulfonic acid, amide|4-Tolylsulfonamide|Benzenesulfonamide, 4-methyl-|BRN 0472689|EINECS 200-741-1|NSC 9908|p-Methylbenzenesulfonamide|p-Toluene sulphonamide|p-Toluenesulfamide|P-TOLUENESULFONAMIDE|p-Toluenesulfonylamide|P-TOLUOLSULFONAMID|p-Tolylsulfonamide|p-Tosylamide|PARA-TOLUENE SULFONAMIDE|para-Toluenesulfonamide|Plasticizer 15|TOLUENE-4-SULFONAMIDE|toluene-4-sulphonamide|Toluene-p-sulphonamide|tolueno-4-sulfonamida|Toluol-4-sulfonamid|Tolylsulfonamide|Topcizer 1S|Tosylamide|UNII-I8266RI90M|Uniplex 173 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029105 https://doi.org/10.22427/NTP-DATA-DTXSID8029105
ARPathway2016 ARPathway2016_1504 4-Toluenesulfonamide 70-55-3 DTXSID8029105 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C=C1)S(N)(=O)=O 4-Toluenesulfonamide 70-55-3|4-Toluenesulfonamide|4-11-00-00376|4-Methyl benzene sulphonamide|4-Methylbenzenesulfonamide|4-Methylphenylsulfonamide|4-Toluenesulfanamide|4-Toluenesulfonic acid, amide|4-Tolylsulfonamide|Benzenesulfonamide, 4-methyl-|BRN 0472689|EINECS 200-741-1|NSC 9908|p-Methylbenzenesulfonamide|p-Toluene sulphonamide|p-Toluenesulfamide|P-TOLUENESULFONAMIDE|p-Toluenesulfonylamide|P-TOLUOLSULFONAMID|p-Tolylsulfonamide|p-Tosylamide|PARA-TOLUENE SULFONAMIDE|para-Toluenesulfonamide|Plasticizer 15|TOLUENE-4-SULFONAMIDE|toluene-4-sulphonamide|Toluene-p-sulphonamide|tolueno-4-sulfonamida|Toluol-4-sulfonamid|Tolylsulfonamide|Topcizer 1S|Tosylamide|UNII-I8266RI90M|Uniplex 173 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029105 https://doi.org/10.22427/NTP-DATA-DTXSID8029105
ERPathway2016 ERPathway2016_1623 4-Toluenesulfonamide 70-55-3 DTXSID8029105 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C=C1)S(N)(=O)=O 4-Toluenesulfonamide 70-55-3|4-Toluenesulfonamide|4-11-00-00376|4-Methyl benzene sulphonamide|4-Methylbenzenesulfonamide|4-Methylphenylsulfonamide|4-Toluenesulfanamide|4-Toluenesulfonic acid, amide|4-Tolylsulfonamide|Benzenesulfonamide, 4-methyl-|BRN 0472689|EINECS 200-741-1|NSC 9908|p-Methylbenzenesulfonamide|p-Toluene sulphonamide|p-Toluenesulfamide|P-TOLUENESULFONAMIDE|p-Toluenesulfonylamide|P-TOLUOLSULFONAMID|p-Tolylsulfonamide|p-Tosylamide|PARA-TOLUENE SULFONAMIDE|para-Toluenesulfonamide|Plasticizer 15|TOLUENE-4-SULFONAMIDE|toluene-4-sulphonamide|Toluene-p-sulphonamide|tolueno-4-sulfonamida|Toluol-4-sulfonamid|Tolylsulfonamide|Topcizer 1S|Tosylamide|UNII-I8266RI90M|Uniplex 173 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029105 https://doi.org/10.22427/NTP-DATA-DTXSID8029105
ERPathway2016 ERPathway2016_1623 4-Toluenesulfonamide 70-55-3 DTXSID8029105 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C=C1)S(N)(=O)=O 4-Toluenesulfonamide 70-55-3|4-Toluenesulfonamide|4-11-00-00376|4-Methyl benzene sulphonamide|4-Methylbenzenesulfonamide|4-Methylphenylsulfonamide|4-Toluenesulfanamide|4-Toluenesulfonic acid, amide|4-Tolylsulfonamide|Benzenesulfonamide, 4-methyl-|BRN 0472689|EINECS 200-741-1|NSC 9908|p-Methylbenzenesulfonamide|p-Toluene sulphonamide|p-Toluenesulfamide|P-TOLUENESULFONAMIDE|p-Toluenesulfonylamide|P-TOLUOLSULFONAMID|p-Tolylsulfonamide|p-Tosylamide|PARA-TOLUENE SULFONAMIDE|para-Toluenesulfonamide|Plasticizer 15|TOLUENE-4-SULFONAMIDE|toluene-4-sulphonamide|Toluene-p-sulphonamide|tolueno-4-sulfonamida|Toluol-4-sulfonamid|Tolylsulfonamide|Topcizer 1S|Tosylamide|UNII-I8266RI90M|Uniplex 173 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029105 https://doi.org/10.22427/NTP-DATA-DTXSID8029105
ERPathway2016 ERPathway2016_1623 4-Toluenesulfonamide 70-55-3 DTXSID8029105 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C=C1)S(N)(=O)=O 4-Toluenesulfonamide 70-55-3|4-Toluenesulfonamide|4-11-00-00376|4-Methyl benzene sulphonamide|4-Methylbenzenesulfonamide|4-Methylphenylsulfonamide|4-Toluenesulfanamide|4-Toluenesulfonic acid, amide|4-Tolylsulfonamide|Benzenesulfonamide, 4-methyl-|BRN 0472689|EINECS 200-741-1|NSC 9908|p-Methylbenzenesulfonamide|p-Toluene sulphonamide|p-Toluenesulfamide|P-TOLUENESULFONAMIDE|p-Toluenesulfonylamide|P-TOLUOLSULFONAMID|p-Tolylsulfonamide|p-Tosylamide|PARA-TOLUENE SULFONAMIDE|para-Toluenesulfonamide|Plasticizer 15|TOLUENE-4-SULFONAMIDE|toluene-4-sulphonamide|Toluene-p-sulphonamide|tolueno-4-sulfonamida|Toluol-4-sulfonamid|Tolylsulfonamide|Topcizer 1S|Tosylamide|UNII-I8266RI90M|Uniplex 173 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029105 https://doi.org/10.22427/NTP-DATA-DTXSID8029105
ERPathway2016 ERPathway2016_1623 4-Toluenesulfonamide 70-55-3 DTXSID8029105 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C=C1)S(N)(=O)=O 4-Toluenesulfonamide 70-55-3|4-Toluenesulfonamide|4-11-00-00376|4-Methyl benzene sulphonamide|4-Methylbenzenesulfonamide|4-Methylphenylsulfonamide|4-Toluenesulfanamide|4-Toluenesulfonic acid, amide|4-Tolylsulfonamide|Benzenesulfonamide, 4-methyl-|BRN 0472689|EINECS 200-741-1|NSC 9908|p-Methylbenzenesulfonamide|p-Toluene sulphonamide|p-Toluenesulfamide|P-TOLUENESULFONAMIDE|p-Toluenesulfonylamide|P-TOLUOLSULFONAMID|p-Tolylsulfonamide|p-Tosylamide|PARA-TOLUENE SULFONAMIDE|para-Toluenesulfonamide|Plasticizer 15|TOLUENE-4-SULFONAMIDE|toluene-4-sulphonamide|Toluene-p-sulphonamide|tolueno-4-sulfonamida|Toluol-4-sulfonamid|Tolylsulfonamide|Topcizer 1S|Tosylamide|UNII-I8266RI90M|Uniplex 173 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029105 https://doi.org/10.22427/NTP-DATA-DTXSID8029105
ARPathway2016 ARPathway2016_483 4-Vinyl-1-cyclohexene diepoxide 106-87-6 DTXSID0020604 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1OC1C1CCC2OC2C1 4-Vinyl-1-cyclohexene diepoxide 106-87-6|4-Vinyl-1-cyclohexene diepoxide|1-Epoxyethyl-3,4-epoxycyclohexane|1-Ethyleneoxy-3,4-epoxycyclohexane|1-Vinyl-3-cyclohexene dioxide|1,2-Epoxy-4-(epoxyethyl)cyclohexane|3-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|3-(2-Oxiranyl)-7-oxabicyclo[4.1.0]heptane|3-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|3-Oxiranyl-7-oxabicyclo(4.1.0)heptane|4-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|4-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|4-Vinlycyclohexene dioxide|4-Vinyl-1-cyclohexene diepoxide|4-Vinyl-1-cyclohexene dioxide|4-Vinyl-1,2-cyclohexene diepoxide|4-Vinylcyclohexene diepoxide|4-Vinylcyclohexene Dioxide|5-19-01-00295|7-Oxabicyclo[4.1.0]heptane, 3-(2-oxiranyl)-|7-Oxabicyclo[4.1.0]heptane, 3-(epoxyethyl)-|7-Oxabicyclo[4.1.0]heptane, 3-oxiranyl-|BRN 0106071|Chissonox 206 monomer|Cyclohexane, 1,2-epoxy-4-(epoxyethyl)-|EINECS 203-437-7|NCI-C60135|NCI-C60139|NSC 54752|UCET textile finish 11-74 (Obs.)|UNII-596C064IG4|Vinyl cyclohexene diepoxide|Vinyl cyclohexene dioxide|25550-49-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020604 https://doi.org/10.22427/NTP-DATA-DTXSID0020604
ARPathway2016 ARPathway2016_483 4-Vinyl-1-cyclohexene diepoxide 106-87-6 DTXSID0020604 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1OC1C1CCC2OC2C1 4-Vinyl-1-cyclohexene diepoxide 106-87-6|4-Vinyl-1-cyclohexene diepoxide|1-Epoxyethyl-3,4-epoxycyclohexane|1-Ethyleneoxy-3,4-epoxycyclohexane|1-Vinyl-3-cyclohexene dioxide|1,2-Epoxy-4-(epoxyethyl)cyclohexane|3-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|3-(2-Oxiranyl)-7-oxabicyclo[4.1.0]heptane|3-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|3-Oxiranyl-7-oxabicyclo(4.1.0)heptane|4-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|4-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|4-Vinlycyclohexene dioxide|4-Vinyl-1-cyclohexene diepoxide|4-Vinyl-1-cyclohexene dioxide|4-Vinyl-1,2-cyclohexene diepoxide|4-Vinylcyclohexene diepoxide|4-Vinylcyclohexene Dioxide|5-19-01-00295|7-Oxabicyclo[4.1.0]heptane, 3-(2-oxiranyl)-|7-Oxabicyclo[4.1.0]heptane, 3-(epoxyethyl)-|7-Oxabicyclo[4.1.0]heptane, 3-oxiranyl-|BRN 0106071|Chissonox 206 monomer|Cyclohexane, 1,2-epoxy-4-(epoxyethyl)-|EINECS 203-437-7|NCI-C60135|NCI-C60139|NSC 54752|UCET textile finish 11-74 (Obs.)|UNII-596C064IG4|Vinyl cyclohexene diepoxide|Vinyl cyclohexene dioxide|25550-49-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020604 https://doi.org/10.22427/NTP-DATA-DTXSID0020604
ARPathway2016 ARPathway2016_483 4-Vinyl-1-cyclohexene diepoxide 106-87-6 DTXSID0020604 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1OC1C1CCC2OC2C1 4-Vinyl-1-cyclohexene diepoxide 106-87-6|4-Vinyl-1-cyclohexene diepoxide|1-Epoxyethyl-3,4-epoxycyclohexane|1-Ethyleneoxy-3,4-epoxycyclohexane|1-Vinyl-3-cyclohexene dioxide|1,2-Epoxy-4-(epoxyethyl)cyclohexane|3-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|3-(2-Oxiranyl)-7-oxabicyclo[4.1.0]heptane|3-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|3-Oxiranyl-7-oxabicyclo(4.1.0)heptane|4-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|4-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|4-Vinlycyclohexene dioxide|4-Vinyl-1-cyclohexene diepoxide|4-Vinyl-1-cyclohexene dioxide|4-Vinyl-1,2-cyclohexene diepoxide|4-Vinylcyclohexene diepoxide|4-Vinylcyclohexene Dioxide|5-19-01-00295|7-Oxabicyclo[4.1.0]heptane, 3-(2-oxiranyl)-|7-Oxabicyclo[4.1.0]heptane, 3-(epoxyethyl)-|7-Oxabicyclo[4.1.0]heptane, 3-oxiranyl-|BRN 0106071|Chissonox 206 monomer|Cyclohexane, 1,2-epoxy-4-(epoxyethyl)-|EINECS 203-437-7|NCI-C60135|NCI-C60139|NSC 54752|UCET textile finish 11-74 (Obs.)|UNII-596C064IG4|Vinyl cyclohexene diepoxide|Vinyl cyclohexene dioxide|25550-49-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020604 https://doi.org/10.22427/NTP-DATA-DTXSID0020604
ARPathway2016 ARPathway2016_483 4-Vinyl-1-cyclohexene diepoxide 106-87-6 DTXSID0020604 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1OC1C1CCC2OC2C1 4-Vinyl-1-cyclohexene diepoxide 106-87-6|4-Vinyl-1-cyclohexene diepoxide|1-Epoxyethyl-3,4-epoxycyclohexane|1-Ethyleneoxy-3,4-epoxycyclohexane|1-Vinyl-3-cyclohexene dioxide|1,2-Epoxy-4-(epoxyethyl)cyclohexane|3-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|3-(2-Oxiranyl)-7-oxabicyclo[4.1.0]heptane|3-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|3-Oxiranyl-7-oxabicyclo(4.1.0)heptane|4-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|4-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|4-Vinlycyclohexene dioxide|4-Vinyl-1-cyclohexene diepoxide|4-Vinyl-1-cyclohexene dioxide|4-Vinyl-1,2-cyclohexene diepoxide|4-Vinylcyclohexene diepoxide|4-Vinylcyclohexene Dioxide|5-19-01-00295|7-Oxabicyclo[4.1.0]heptane, 3-(2-oxiranyl)-|7-Oxabicyclo[4.1.0]heptane, 3-(epoxyethyl)-|7-Oxabicyclo[4.1.0]heptane, 3-oxiranyl-|BRN 0106071|Chissonox 206 monomer|Cyclohexane, 1,2-epoxy-4-(epoxyethyl)-|EINECS 203-437-7|NCI-C60135|NCI-C60139|NSC 54752|UCET textile finish 11-74 (Obs.)|UNII-596C064IG4|Vinyl cyclohexene diepoxide|Vinyl cyclohexene dioxide|25550-49-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020604 https://doi.org/10.22427/NTP-DATA-DTXSID0020604
ERPathway2016 ERPathway2016_1094 4-Vinyl-1-cyclohexene diepoxide 106-87-6 DTXSID0020604 ER Pathway Model, Agonist Model Score 0 Unitless C1OC1C1CCC2OC2C1 4-Vinyl-1-cyclohexene diepoxide 106-87-6|4-Vinyl-1-cyclohexene diepoxide|1-Epoxyethyl-3,4-epoxycyclohexane|1-Ethyleneoxy-3,4-epoxycyclohexane|1-Vinyl-3-cyclohexene dioxide|1,2-Epoxy-4-(epoxyethyl)cyclohexane|3-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|3-(2-Oxiranyl)-7-oxabicyclo[4.1.0]heptane|3-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|3-Oxiranyl-7-oxabicyclo(4.1.0)heptane|4-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|4-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|4-Vinlycyclohexene dioxide|4-Vinyl-1-cyclohexene diepoxide|4-Vinyl-1-cyclohexene dioxide|4-Vinyl-1,2-cyclohexene diepoxide|4-Vinylcyclohexene diepoxide|4-Vinylcyclohexene Dioxide|5-19-01-00295|7-Oxabicyclo[4.1.0]heptane, 3-(2-oxiranyl)-|7-Oxabicyclo[4.1.0]heptane, 3-(epoxyethyl)-|7-Oxabicyclo[4.1.0]heptane, 3-oxiranyl-|BRN 0106071|Chissonox 206 monomer|Cyclohexane, 1,2-epoxy-4-(epoxyethyl)-|EINECS 203-437-7|NCI-C60135|NCI-C60139|NSC 54752|UCET textile finish 11-74 (Obs.)|UNII-596C064IG4|Vinyl cyclohexene diepoxide|Vinyl cyclohexene dioxide|25550-49-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020604 https://doi.org/10.22427/NTP-DATA-DTXSID0020604
ERPathway2016 ERPathway2016_1094 4-Vinyl-1-cyclohexene diepoxide 106-87-6 DTXSID0020604 ER Pathway Model, Antagonist Model Score 0 Unitless C1OC1C1CCC2OC2C1 4-Vinyl-1-cyclohexene diepoxide 106-87-6|4-Vinyl-1-cyclohexene diepoxide|1-Epoxyethyl-3,4-epoxycyclohexane|1-Ethyleneoxy-3,4-epoxycyclohexane|1-Vinyl-3-cyclohexene dioxide|1,2-Epoxy-4-(epoxyethyl)cyclohexane|3-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|3-(2-Oxiranyl)-7-oxabicyclo[4.1.0]heptane|3-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|3-Oxiranyl-7-oxabicyclo(4.1.0)heptane|4-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|4-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|4-Vinlycyclohexene dioxide|4-Vinyl-1-cyclohexene diepoxide|4-Vinyl-1-cyclohexene dioxide|4-Vinyl-1,2-cyclohexene diepoxide|4-Vinylcyclohexene diepoxide|4-Vinylcyclohexene Dioxide|5-19-01-00295|7-Oxabicyclo[4.1.0]heptane, 3-(2-oxiranyl)-|7-Oxabicyclo[4.1.0]heptane, 3-(epoxyethyl)-|7-Oxabicyclo[4.1.0]heptane, 3-oxiranyl-|BRN 0106071|Chissonox 206 monomer|Cyclohexane, 1,2-epoxy-4-(epoxyethyl)-|EINECS 203-437-7|NCI-C60135|NCI-C60139|NSC 54752|UCET textile finish 11-74 (Obs.)|UNII-596C064IG4|Vinyl cyclohexene diepoxide|Vinyl cyclohexene dioxide|25550-49-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020604 https://doi.org/10.22427/NTP-DATA-DTXSID0020604
ERPathway2016 ERPathway2016_1094 4-Vinyl-1-cyclohexene diepoxide 106-87-6 DTXSID0020604 ER Pathway Model, Agonist Call Inactive Unitless C1OC1C1CCC2OC2C1 4-Vinyl-1-cyclohexene diepoxide 106-87-6|4-Vinyl-1-cyclohexene diepoxide|1-Epoxyethyl-3,4-epoxycyclohexane|1-Ethyleneoxy-3,4-epoxycyclohexane|1-Vinyl-3-cyclohexene dioxide|1,2-Epoxy-4-(epoxyethyl)cyclohexane|3-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|3-(2-Oxiranyl)-7-oxabicyclo[4.1.0]heptane|3-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|3-Oxiranyl-7-oxabicyclo(4.1.0)heptane|4-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|4-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|4-Vinlycyclohexene dioxide|4-Vinyl-1-cyclohexene diepoxide|4-Vinyl-1-cyclohexene dioxide|4-Vinyl-1,2-cyclohexene diepoxide|4-Vinylcyclohexene diepoxide|4-Vinylcyclohexene Dioxide|5-19-01-00295|7-Oxabicyclo[4.1.0]heptane, 3-(2-oxiranyl)-|7-Oxabicyclo[4.1.0]heptane, 3-(epoxyethyl)-|7-Oxabicyclo[4.1.0]heptane, 3-oxiranyl-|BRN 0106071|Chissonox 206 monomer|Cyclohexane, 1,2-epoxy-4-(epoxyethyl)-|EINECS 203-437-7|NCI-C60135|NCI-C60139|NSC 54752|UCET textile finish 11-74 (Obs.)|UNII-596C064IG4|Vinyl cyclohexene diepoxide|Vinyl cyclohexene dioxide|25550-49-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020604 https://doi.org/10.22427/NTP-DATA-DTXSID0020604
ERPathway2016 ERPathway2016_1094 4-Vinyl-1-cyclohexene diepoxide 106-87-6 DTXSID0020604 ER Pathway Model, Antagonist Call Inactive Unitless C1OC1C1CCC2OC2C1 4-Vinyl-1-cyclohexene diepoxide 106-87-6|4-Vinyl-1-cyclohexene diepoxide|1-Epoxyethyl-3,4-epoxycyclohexane|1-Ethyleneoxy-3,4-epoxycyclohexane|1-Vinyl-3-cyclohexene dioxide|1,2-Epoxy-4-(epoxyethyl)cyclohexane|3-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|3-(2-Oxiranyl)-7-oxabicyclo[4.1.0]heptane|3-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|3-Oxiranyl-7-oxabicyclo(4.1.0)heptane|4-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|4-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane|4-Vinlycyclohexene dioxide|4-Vinyl-1-cyclohexene diepoxide|4-Vinyl-1-cyclohexene dioxide|4-Vinyl-1,2-cyclohexene diepoxide|4-Vinylcyclohexene diepoxide|4-Vinylcyclohexene Dioxide|5-19-01-00295|7-Oxabicyclo[4.1.0]heptane, 3-(2-oxiranyl)-|7-Oxabicyclo[4.1.0]heptane, 3-(epoxyethyl)-|7-Oxabicyclo[4.1.0]heptane, 3-oxiranyl-|BRN 0106071|Chissonox 206 monomer|Cyclohexane, 1,2-epoxy-4-(epoxyethyl)-|EINECS 203-437-7|NCI-C60135|NCI-C60139|NSC 54752|UCET textile finish 11-74 (Obs.)|UNII-596C064IG4|Vinyl cyclohexene diepoxide|Vinyl cyclohexene dioxide|25550-49-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020604 https://doi.org/10.22427/NTP-DATA-DTXSID0020604
ARPathway2016 ARPathway2016_1554 5,5-Dimethylhydantoin 77-71-4 DTXSID5021754 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)NC(=O)NC1=O 5,5-Dimethylhydantoin 77-71-4|5,5-Dimethylhydantoin|2,4-Imidazolidinedione, 5,5-dimethyl-|4,4-Dimethyl-2,5-dioxoimidazolidine|5-24-05-00348|5,5-Dimethyl-2,4-imidazolidinedione|5,5-Dimethyl-Imidazolidine-2,4-dione|5,5-dimethylhydantoin|BRN 0002827|Dantoin 736|Dantoin DMH|Dimethylhydantoin|DM Hydantoin|DMH|EC No.: 201-051-3|EINECS 201-051-3|Fennosurf 300|Hydantoin, 5,5-dimethyl-|NSC 8652|UNII-34032MQ9RO|1689577-91-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021754
ARPathway2016 ARPathway2016_1554 5,5-Dimethylhydantoin 77-71-4 DTXSID5021754 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)NC(=O)NC1=O 5,5-Dimethylhydantoin 77-71-4|5,5-Dimethylhydantoin|2,4-Imidazolidinedione, 5,5-dimethyl-|4,4-Dimethyl-2,5-dioxoimidazolidine|5-24-05-00348|5,5-Dimethyl-2,4-imidazolidinedione|5,5-Dimethyl-Imidazolidine-2,4-dione|5,5-dimethylhydantoin|BRN 0002827|Dantoin 736|Dantoin DMH|Dimethylhydantoin|DM Hydantoin|DMH|EC No.: 201-051-3|EINECS 201-051-3|Fennosurf 300|Hydantoin, 5,5-dimethyl-|NSC 8652|UNII-34032MQ9RO|1689577-91-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021754
ARPathway2016 ARPathway2016_1554 5,5-Dimethylhydantoin 77-71-4 DTXSID5021754 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)NC(=O)NC1=O 5,5-Dimethylhydantoin 77-71-4|5,5-Dimethylhydantoin|2,4-Imidazolidinedione, 5,5-dimethyl-|4,4-Dimethyl-2,5-dioxoimidazolidine|5-24-05-00348|5,5-Dimethyl-2,4-imidazolidinedione|5,5-Dimethyl-Imidazolidine-2,4-dione|5,5-dimethylhydantoin|BRN 0002827|Dantoin 736|Dantoin DMH|Dimethylhydantoin|DM Hydantoin|DMH|EC No.: 201-051-3|EINECS 201-051-3|Fennosurf 300|Hydantoin, 5,5-dimethyl-|NSC 8652|UNII-34032MQ9RO|1689577-91-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021754
ARPathway2016 ARPathway2016_1554 5,5-Dimethylhydantoin 77-71-4 DTXSID5021754 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)NC(=O)NC1=O 5,5-Dimethylhydantoin 77-71-4|5,5-Dimethylhydantoin|2,4-Imidazolidinedione, 5,5-dimethyl-|4,4-Dimethyl-2,5-dioxoimidazolidine|5-24-05-00348|5,5-Dimethyl-2,4-imidazolidinedione|5,5-Dimethyl-Imidazolidine-2,4-dione|5,5-dimethylhydantoin|BRN 0002827|Dantoin 736|Dantoin DMH|Dimethylhydantoin|DM Hydantoin|DMH|EC No.: 201-051-3|EINECS 201-051-3|Fennosurf 300|Hydantoin, 5,5-dimethyl-|NSC 8652|UNII-34032MQ9RO|1689577-91-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021754
ERPathway2016 ERPathway2016_799 5,5-Dimethylhydantoin 77-71-4 DTXSID5021754 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)NC(=O)NC1=O 5,5-Dimethylhydantoin 77-71-4|5,5-Dimethylhydantoin|2,4-Imidazolidinedione, 5,5-dimethyl-|4,4-Dimethyl-2,5-dioxoimidazolidine|5-24-05-00348|5,5-Dimethyl-2,4-imidazolidinedione|5,5-Dimethyl-Imidazolidine-2,4-dione|5,5-dimethylhydantoin|BRN 0002827|Dantoin 736|Dantoin DMH|Dimethylhydantoin|DM Hydantoin|DMH|EC No.: 201-051-3|EINECS 201-051-3|Fennosurf 300|Hydantoin, 5,5-dimethyl-|NSC 8652|UNII-34032MQ9RO|1689577-91-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021754
ERPathway2016 ERPathway2016_799 5,5-Dimethylhydantoin 77-71-4 DTXSID5021754 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)NC(=O)NC1=O 5,5-Dimethylhydantoin 77-71-4|5,5-Dimethylhydantoin|2,4-Imidazolidinedione, 5,5-dimethyl-|4,4-Dimethyl-2,5-dioxoimidazolidine|5-24-05-00348|5,5-Dimethyl-2,4-imidazolidinedione|5,5-Dimethyl-Imidazolidine-2,4-dione|5,5-dimethylhydantoin|BRN 0002827|Dantoin 736|Dantoin DMH|Dimethylhydantoin|DM Hydantoin|DMH|EC No.: 201-051-3|EINECS 201-051-3|Fennosurf 300|Hydantoin, 5,5-dimethyl-|NSC 8652|UNII-34032MQ9RO|1689577-91-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021754
ERPathway2016 ERPathway2016_799 5,5-Dimethylhydantoin 77-71-4 DTXSID5021754 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)NC(=O)NC1=O 5,5-Dimethylhydantoin 77-71-4|5,5-Dimethylhydantoin|2,4-Imidazolidinedione, 5,5-dimethyl-|4,4-Dimethyl-2,5-dioxoimidazolidine|5-24-05-00348|5,5-Dimethyl-2,4-imidazolidinedione|5,5-Dimethyl-Imidazolidine-2,4-dione|5,5-dimethylhydantoin|BRN 0002827|Dantoin 736|Dantoin DMH|Dimethylhydantoin|DM Hydantoin|DMH|EC No.: 201-051-3|EINECS 201-051-3|Fennosurf 300|Hydantoin, 5,5-dimethyl-|NSC 8652|UNII-34032MQ9RO|1689577-91-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021754
ERPathway2016 ERPathway2016_799 5,5-Dimethylhydantoin 77-71-4 DTXSID5021754 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)NC(=O)NC1=O 5,5-Dimethylhydantoin 77-71-4|5,5-Dimethylhydantoin|2,4-Imidazolidinedione, 5,5-dimethyl-|4,4-Dimethyl-2,5-dioxoimidazolidine|5-24-05-00348|5,5-Dimethyl-2,4-imidazolidinedione|5,5-Dimethyl-Imidazolidine-2,4-dione|5,5-dimethylhydantoin|BRN 0002827|Dantoin 736|Dantoin DMH|Dimethylhydantoin|DM Hydantoin|DMH|EC No.: 201-051-3|EINECS 201-051-3|Fennosurf 300|Hydantoin, 5,5-dimethyl-|NSC 8652|UNII-34032MQ9RO|1689577-91-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021754
ARPathway2016 ARPathway2016_1344 5,5-Diphenylhydantoin 57-41-0 DTXSID8020541 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 5,5-Diphenylhydantoin 57-41-0|5,5-Diphenylhydantoin|2,4-Imidazolidinedione, 5,5-diphenyl-|5,5-Diphenyl-2,4-imidazolidinedione|5,5-Diphenylhydantoin|5,5-Diphenylimidazolidin-2,4-dione|5,5-Dwufenylohydantoina|Aleviatin|Causoin|Comitoina|Dantinal|Dantoinal|Dantoinal klinos|Dantoine|Di-Hydan|Di-Lan|Di-Phetine|Didan TDC 250|Difenilhidantoina|Dihycon|Dihydantoin|Dilabid|Dilantin acid|Dilantin-125|Dilantin-30|Dilantine|Dillantin|Dintoin|Dintoina|Diphantoin|Diphedal|Diphedan|Diphenat|Diphentyn|Diphenylan|Diphenylhydantoin|Diphenylhydantoine|Diphenylhydatanoin|Ditoinate|DPH (VAN)|EINECS 200-328-6|Ekko capsules|Elepsindon|Enkelfel|Epasmir "5"|Epdantoin Simple|Epdantoine simple|Epifenyl|Epihydan|Epilantin|Fenantoin Mn Pharma|Fenidantoin "s"|fenitoina|Fentoin|Fenylepsin|Fenytoin Dak|Fenytoine|Gerot-epilan-D|Hidantal|Hidantilo|Hidantina|Hidantina senosian|Hidantina vitoria|Hidantomin|Hydantal|Hydantoin, 5,5-diphenyl-|Hydantol|Ictalis simple|Idantoil|Idantoin|Iphenylhydantoin|Kessodanten|Labopal|Lehydan|Lepitoin|NCI-C55765|Neos-hidantoina|Neosidantoina|Novantoina|Novophenyt|1061190-62-2|125-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020541 https://doi.org/10.22427/NTP-DATA-DTXSID8020541
ARPathway2016 ARPathway2016_1344 5,5-Diphenylhydantoin 57-41-0 DTXSID8020541 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 5,5-Diphenylhydantoin 57-41-0|5,5-Diphenylhydantoin|2,4-Imidazolidinedione, 5,5-diphenyl-|5,5-Diphenyl-2,4-imidazolidinedione|5,5-Diphenylhydantoin|5,5-Diphenylimidazolidin-2,4-dione|5,5-Dwufenylohydantoina|Aleviatin|Causoin|Comitoina|Dantinal|Dantoinal|Dantoinal klinos|Dantoine|Di-Hydan|Di-Lan|Di-Phetine|Didan TDC 250|Difenilhidantoina|Dihycon|Dihydantoin|Dilabid|Dilantin acid|Dilantin-125|Dilantin-30|Dilantine|Dillantin|Dintoin|Dintoina|Diphantoin|Diphedal|Diphedan|Diphenat|Diphentyn|Diphenylan|Diphenylhydantoin|Diphenylhydantoine|Diphenylhydatanoin|Ditoinate|DPH (VAN)|EINECS 200-328-6|Ekko capsules|Elepsindon|Enkelfel|Epasmir "5"|Epdantoin Simple|Epdantoine simple|Epifenyl|Epihydan|Epilantin|Fenantoin Mn Pharma|Fenidantoin "s"|fenitoina|Fentoin|Fenylepsin|Fenytoin Dak|Fenytoine|Gerot-epilan-D|Hidantal|Hidantilo|Hidantina|Hidantina senosian|Hidantina vitoria|Hidantomin|Hydantal|Hydantoin, 5,5-diphenyl-|Hydantol|Ictalis simple|Idantoil|Idantoin|Iphenylhydantoin|Kessodanten|Labopal|Lehydan|Lepitoin|NCI-C55765|Neos-hidantoina|Neosidantoina|Novantoina|Novophenyt|1061190-62-2|125-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020541 https://doi.org/10.22427/NTP-DATA-DTXSID8020541
ARPathway2016 ARPathway2016_1344 5,5-Diphenylhydantoin 57-41-0 DTXSID8020541 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 5,5-Diphenylhydantoin 57-41-0|5,5-Diphenylhydantoin|2,4-Imidazolidinedione, 5,5-diphenyl-|5,5-Diphenyl-2,4-imidazolidinedione|5,5-Diphenylhydantoin|5,5-Diphenylimidazolidin-2,4-dione|5,5-Dwufenylohydantoina|Aleviatin|Causoin|Comitoina|Dantinal|Dantoinal|Dantoinal klinos|Dantoine|Di-Hydan|Di-Lan|Di-Phetine|Didan TDC 250|Difenilhidantoina|Dihycon|Dihydantoin|Dilabid|Dilantin acid|Dilantin-125|Dilantin-30|Dilantine|Dillantin|Dintoin|Dintoina|Diphantoin|Diphedal|Diphedan|Diphenat|Diphentyn|Diphenylan|Diphenylhydantoin|Diphenylhydantoine|Diphenylhydatanoin|Ditoinate|DPH (VAN)|EINECS 200-328-6|Ekko capsules|Elepsindon|Enkelfel|Epasmir "5"|Epdantoin Simple|Epdantoine simple|Epifenyl|Epihydan|Epilantin|Fenantoin Mn Pharma|Fenidantoin "s"|fenitoina|Fentoin|Fenylepsin|Fenytoin Dak|Fenytoine|Gerot-epilan-D|Hidantal|Hidantilo|Hidantina|Hidantina senosian|Hidantina vitoria|Hidantomin|Hydantal|Hydantoin, 5,5-diphenyl-|Hydantol|Ictalis simple|Idantoil|Idantoin|Iphenylhydantoin|Kessodanten|Labopal|Lehydan|Lepitoin|NCI-C55765|Neos-hidantoina|Neosidantoina|Novantoina|Novophenyt|1061190-62-2|125-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020541 https://doi.org/10.22427/NTP-DATA-DTXSID8020541
ARPathway2016 ARPathway2016_1344 5,5-Diphenylhydantoin 57-41-0 DTXSID8020541 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 5,5-Diphenylhydantoin 57-41-0|5,5-Diphenylhydantoin|2,4-Imidazolidinedione, 5,5-diphenyl-|5,5-Diphenyl-2,4-imidazolidinedione|5,5-Diphenylhydantoin|5,5-Diphenylimidazolidin-2,4-dione|5,5-Dwufenylohydantoina|Aleviatin|Causoin|Comitoina|Dantinal|Dantoinal|Dantoinal klinos|Dantoine|Di-Hydan|Di-Lan|Di-Phetine|Didan TDC 250|Difenilhidantoina|Dihycon|Dihydantoin|Dilabid|Dilantin acid|Dilantin-125|Dilantin-30|Dilantine|Dillantin|Dintoin|Dintoina|Diphantoin|Diphedal|Diphedan|Diphenat|Diphentyn|Diphenylan|Diphenylhydantoin|Diphenylhydantoine|Diphenylhydatanoin|Ditoinate|DPH (VAN)|EINECS 200-328-6|Ekko capsules|Elepsindon|Enkelfel|Epasmir "5"|Epdantoin Simple|Epdantoine simple|Epifenyl|Epihydan|Epilantin|Fenantoin Mn Pharma|Fenidantoin "s"|fenitoina|Fentoin|Fenylepsin|Fenytoin Dak|Fenytoine|Gerot-epilan-D|Hidantal|Hidantilo|Hidantina|Hidantina senosian|Hidantina vitoria|Hidantomin|Hydantal|Hydantoin, 5,5-diphenyl-|Hydantol|Ictalis simple|Idantoil|Idantoin|Iphenylhydantoin|Kessodanten|Labopal|Lehydan|Lepitoin|NCI-C55765|Neos-hidantoina|Neosidantoina|Novantoina|Novophenyt|1061190-62-2|125-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020541 https://doi.org/10.22427/NTP-DATA-DTXSID8020541
ERPathway2016 ERPathway2016_1549 5,5-Diphenylhydantoin 57-41-0 DTXSID8020541 ER Pathway Model, Agonist Model Score 0 Unitless O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 5,5-Diphenylhydantoin 57-41-0|5,5-Diphenylhydantoin|2,4-Imidazolidinedione, 5,5-diphenyl-|5,5-Diphenyl-2,4-imidazolidinedione|5,5-Diphenylhydantoin|5,5-Diphenylimidazolidin-2,4-dione|5,5-Dwufenylohydantoina|Aleviatin|Causoin|Comitoina|Dantinal|Dantoinal|Dantoinal klinos|Dantoine|Di-Hydan|Di-Lan|Di-Phetine|Didan TDC 250|Difenilhidantoina|Dihycon|Dihydantoin|Dilabid|Dilantin acid|Dilantin-125|Dilantin-30|Dilantine|Dillantin|Dintoin|Dintoina|Diphantoin|Diphedal|Diphedan|Diphenat|Diphentyn|Diphenylan|Diphenylhydantoin|Diphenylhydantoine|Diphenylhydatanoin|Ditoinate|DPH (VAN)|EINECS 200-328-6|Ekko capsules|Elepsindon|Enkelfel|Epasmir "5"|Epdantoin Simple|Epdantoine simple|Epifenyl|Epihydan|Epilantin|Fenantoin Mn Pharma|Fenidantoin "s"|fenitoina|Fentoin|Fenylepsin|Fenytoin Dak|Fenytoine|Gerot-epilan-D|Hidantal|Hidantilo|Hidantina|Hidantina senosian|Hidantina vitoria|Hidantomin|Hydantal|Hydantoin, 5,5-diphenyl-|Hydantol|Ictalis simple|Idantoil|Idantoin|Iphenylhydantoin|Kessodanten|Labopal|Lehydan|Lepitoin|NCI-C55765|Neos-hidantoina|Neosidantoina|Novantoina|Novophenyt|1061190-62-2|125-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020541 https://doi.org/10.22427/NTP-DATA-DTXSID8020541
ERPathway2016 ERPathway2016_1549 5,5-Diphenylhydantoin 57-41-0 DTXSID8020541 ER Pathway Model, Antagonist Model Score 0 Unitless O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 5,5-Diphenylhydantoin 57-41-0|5,5-Diphenylhydantoin|2,4-Imidazolidinedione, 5,5-diphenyl-|5,5-Diphenyl-2,4-imidazolidinedione|5,5-Diphenylhydantoin|5,5-Diphenylimidazolidin-2,4-dione|5,5-Dwufenylohydantoina|Aleviatin|Causoin|Comitoina|Dantinal|Dantoinal|Dantoinal klinos|Dantoine|Di-Hydan|Di-Lan|Di-Phetine|Didan TDC 250|Difenilhidantoina|Dihycon|Dihydantoin|Dilabid|Dilantin acid|Dilantin-125|Dilantin-30|Dilantine|Dillantin|Dintoin|Dintoina|Diphantoin|Diphedal|Diphedan|Diphenat|Diphentyn|Diphenylan|Diphenylhydantoin|Diphenylhydantoine|Diphenylhydatanoin|Ditoinate|DPH (VAN)|EINECS 200-328-6|Ekko capsules|Elepsindon|Enkelfel|Epasmir "5"|Epdantoin Simple|Epdantoine simple|Epifenyl|Epihydan|Epilantin|Fenantoin Mn Pharma|Fenidantoin "s"|fenitoina|Fentoin|Fenylepsin|Fenytoin Dak|Fenytoine|Gerot-epilan-D|Hidantal|Hidantilo|Hidantina|Hidantina senosian|Hidantina vitoria|Hidantomin|Hydantal|Hydantoin, 5,5-diphenyl-|Hydantol|Ictalis simple|Idantoil|Idantoin|Iphenylhydantoin|Kessodanten|Labopal|Lehydan|Lepitoin|NCI-C55765|Neos-hidantoina|Neosidantoina|Novantoina|Novophenyt|1061190-62-2|125-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020541 https://doi.org/10.22427/NTP-DATA-DTXSID8020541
ERPathway2016 ERPathway2016_1549 5,5-Diphenylhydantoin 57-41-0 DTXSID8020541 ER Pathway Model, Agonist Call Inactive Unitless O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 5,5-Diphenylhydantoin 57-41-0|5,5-Diphenylhydantoin|2,4-Imidazolidinedione, 5,5-diphenyl-|5,5-Diphenyl-2,4-imidazolidinedione|5,5-Diphenylhydantoin|5,5-Diphenylimidazolidin-2,4-dione|5,5-Dwufenylohydantoina|Aleviatin|Causoin|Comitoina|Dantinal|Dantoinal|Dantoinal klinos|Dantoine|Di-Hydan|Di-Lan|Di-Phetine|Didan TDC 250|Difenilhidantoina|Dihycon|Dihydantoin|Dilabid|Dilantin acid|Dilantin-125|Dilantin-30|Dilantine|Dillantin|Dintoin|Dintoina|Diphantoin|Diphedal|Diphedan|Diphenat|Diphentyn|Diphenylan|Diphenylhydantoin|Diphenylhydantoine|Diphenylhydatanoin|Ditoinate|DPH (VAN)|EINECS 200-328-6|Ekko capsules|Elepsindon|Enkelfel|Epasmir "5"|Epdantoin Simple|Epdantoine simple|Epifenyl|Epihydan|Epilantin|Fenantoin Mn Pharma|Fenidantoin "s"|fenitoina|Fentoin|Fenylepsin|Fenytoin Dak|Fenytoine|Gerot-epilan-D|Hidantal|Hidantilo|Hidantina|Hidantina senosian|Hidantina vitoria|Hidantomin|Hydantal|Hydantoin, 5,5-diphenyl-|Hydantol|Ictalis simple|Idantoil|Idantoin|Iphenylhydantoin|Kessodanten|Labopal|Lehydan|Lepitoin|NCI-C55765|Neos-hidantoina|Neosidantoina|Novantoina|Novophenyt|1061190-62-2|125-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020541 https://doi.org/10.22427/NTP-DATA-DTXSID8020541
ERPathway2016 ERPathway2016_1549 5,5-Diphenylhydantoin 57-41-0 DTXSID8020541 ER Pathway Model, Antagonist Call Inactive Unitless O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 5,5-Diphenylhydantoin 57-41-0|5,5-Diphenylhydantoin|2,4-Imidazolidinedione, 5,5-diphenyl-|5,5-Diphenyl-2,4-imidazolidinedione|5,5-Diphenylhydantoin|5,5-Diphenylimidazolidin-2,4-dione|5,5-Dwufenylohydantoina|Aleviatin|Causoin|Comitoina|Dantinal|Dantoinal|Dantoinal klinos|Dantoine|Di-Hydan|Di-Lan|Di-Phetine|Didan TDC 250|Difenilhidantoina|Dihycon|Dihydantoin|Dilabid|Dilantin acid|Dilantin-125|Dilantin-30|Dilantine|Dillantin|Dintoin|Dintoina|Diphantoin|Diphedal|Diphedan|Diphenat|Diphentyn|Diphenylan|Diphenylhydantoin|Diphenylhydantoine|Diphenylhydatanoin|Ditoinate|DPH (VAN)|EINECS 200-328-6|Ekko capsules|Elepsindon|Enkelfel|Epasmir "5"|Epdantoin Simple|Epdantoine simple|Epifenyl|Epihydan|Epilantin|Fenantoin Mn Pharma|Fenidantoin "s"|fenitoina|Fentoin|Fenylepsin|Fenytoin Dak|Fenytoine|Gerot-epilan-D|Hidantal|Hidantilo|Hidantina|Hidantina senosian|Hidantina vitoria|Hidantomin|Hydantal|Hydantoin, 5,5-diphenyl-|Hydantol|Ictalis simple|Idantoil|Idantoin|Iphenylhydantoin|Kessodanten|Labopal|Lehydan|Lepitoin|NCI-C55765|Neos-hidantoina|Neosidantoina|Novantoina|Novophenyt|1061190-62-2|125-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020541 https://doi.org/10.22427/NTP-DATA-DTXSID8020541
ARPathway2016 ARPathway2016_1233 5,7-Dimethoxy-2H-chromen-2-one 487-06-9 DTXSID1041421 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC2=C(C=CC(=O)O2)C(OC)=C1 5,7-Dimethoxy-2H-chromen-2-one 487-06-9|5,7-Dimethoxy-2H-chromen-2-one|2H-1-Benzopyran-2-one, 5,7-dimethoxy-|5-18-03-00199|5,7-Dimethoxycoumarin|BRN 0187066|Citropten|Citroptene|EINECS 207-646-4|NSC 102793|UNII-JWE1QQ247N https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041421
ARPathway2016 ARPathway2016_1233 5,7-Dimethoxy-2H-chromen-2-one 487-06-9 DTXSID1041421 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC2=C(C=CC(=O)O2)C(OC)=C1 5,7-Dimethoxy-2H-chromen-2-one 487-06-9|5,7-Dimethoxy-2H-chromen-2-one|2H-1-Benzopyran-2-one, 5,7-dimethoxy-|5-18-03-00199|5,7-Dimethoxycoumarin|BRN 0187066|Citropten|Citroptene|EINECS 207-646-4|NSC 102793|UNII-JWE1QQ247N https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041421
ARPathway2016 ARPathway2016_1233 5,7-Dimethoxy-2H-chromen-2-one 487-06-9 DTXSID1041421 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC2=C(C=CC(=O)O2)C(OC)=C1 5,7-Dimethoxy-2H-chromen-2-one 487-06-9|5,7-Dimethoxy-2H-chromen-2-one|2H-1-Benzopyran-2-one, 5,7-dimethoxy-|5-18-03-00199|5,7-Dimethoxycoumarin|BRN 0187066|Citropten|Citroptene|EINECS 207-646-4|NSC 102793|UNII-JWE1QQ247N https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041421
ARPathway2016 ARPathway2016_1233 5,7-Dimethoxy-2H-chromen-2-one 487-06-9 DTXSID1041421 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC2=C(C=CC(=O)O2)C(OC)=C1 5,7-Dimethoxy-2H-chromen-2-one 487-06-9|5,7-Dimethoxy-2H-chromen-2-one|2H-1-Benzopyran-2-one, 5,7-dimethoxy-|5-18-03-00199|5,7-Dimethoxycoumarin|BRN 0187066|Citropten|Citroptene|EINECS 207-646-4|NSC 102793|UNII-JWE1QQ247N https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041421
ERPathway2016 ERPathway2016_1494 5,7-Dimethoxy-2H-chromen-2-one 487-06-9 DTXSID1041421 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC2=C(C=CC(=O)O2)C(OC)=C1 5,7-Dimethoxy-2H-chromen-2-one 487-06-9|5,7-Dimethoxy-2H-chromen-2-one|2H-1-Benzopyran-2-one, 5,7-dimethoxy-|5-18-03-00199|5,7-Dimethoxycoumarin|BRN 0187066|Citropten|Citroptene|EINECS 207-646-4|NSC 102793|UNII-JWE1QQ247N https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041421
ERPathway2016 ERPathway2016_1494 5,7-Dimethoxy-2H-chromen-2-one 487-06-9 DTXSID1041421 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC2=C(C=CC(=O)O2)C(OC)=C1 5,7-Dimethoxy-2H-chromen-2-one 487-06-9|5,7-Dimethoxy-2H-chromen-2-one|2H-1-Benzopyran-2-one, 5,7-dimethoxy-|5-18-03-00199|5,7-Dimethoxycoumarin|BRN 0187066|Citropten|Citroptene|EINECS 207-646-4|NSC 102793|UNII-JWE1QQ247N https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041421
ERPathway2016 ERPathway2016_1494 5,7-Dimethoxy-2H-chromen-2-one 487-06-9 DTXSID1041421 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC2=C(C=CC(=O)O2)C(OC)=C1 5,7-Dimethoxy-2H-chromen-2-one 487-06-9|5,7-Dimethoxy-2H-chromen-2-one|2H-1-Benzopyran-2-one, 5,7-dimethoxy-|5-18-03-00199|5,7-Dimethoxycoumarin|BRN 0187066|Citropten|Citroptene|EINECS 207-646-4|NSC 102793|UNII-JWE1QQ247N https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041421
ERPathway2016 ERPathway2016_1494 5,7-Dimethoxy-2H-chromen-2-one 487-06-9 DTXSID1041421 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC2=C(C=CC(=O)O2)C(OC)=C1 5,7-Dimethoxy-2H-chromen-2-one 487-06-9|5,7-Dimethoxy-2H-chromen-2-one|2H-1-Benzopyran-2-one, 5,7-dimethoxy-|5-18-03-00199|5,7-Dimethoxycoumarin|BRN 0187066|Citropten|Citroptene|EINECS 207-646-4|NSC 102793|UNII-JWE1QQ247N https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041421
ARPathway2016 ARPathway2016_368 5alpha-Dihydrotestosterone 521-18-6 DTXSID9022364 1.0 Agonist AR Pathway Model, Antagonist ACC 0.000393227999999999 uM [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C 5alpha-Dihydrotestosterone 521-18-6|5alpha-Dihydrotestosterone|(+)-Androstan-17b-ol-3-one|(1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-one|(5-alpha,17-beta)-17-Hydroxyandrostan-3-one|17-beta-Hydroxy-5-alpha-androstan-3-one|17-Hydroxy-androstan-3-one|17-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17beta-Hydroxy-3-androstanone|17beta-hydroxy-3-oxo-5alpha-androstanone|17beta-hydroxy-5alpha-androstan-3-one|17beta-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17b-Hydroxy-5a-androstan-3-one|17b-Hydroxy-5a-androstane-3-one|4-Dihydrotestosterone|4,5-alpha-Dihydrotestosterone|4,5a-Dihydrotestosterone|4,5alpha-dihydrotestosterone|4,5a-Dihydrotestosterone|5-a-Androstanolone|5-alpha-Androstan-17-beta-ol-3-one|5-alpha-Androstanolone|5-alpha-Dihydrotestosterone|5a-Androstan-17b-ol-3-one|5A-Androstan-3-on-17B-ol|5a-Dihydrotestosterone|5alpha-androstan-17beta-ol-3-one|5alpha-DHT|5alpha-Dihydroxytestosterone|5alpha,17beta-Hydroxyandrostan-3-one|5alpha,17eta-Hydroxyandrostan-3-one|5B-Androstan-3-on-17B-ol|5a-Androstan-17b-|1050679-06-5|12040-51-6|28801-96-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022364
ARPathway2016 ARPathway2016_368 5alpha-Dihydrotestosterone 521-18-6 DTXSID9022364 1.0 Agonist AR Pathway Model, Antagonist AC50 0.002976713 uM [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C 5alpha-Dihydrotestosterone 521-18-6|5alpha-Dihydrotestosterone|(+)-Androstan-17b-ol-3-one|(1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-one|(5-alpha,17-beta)-17-Hydroxyandrostan-3-one|17-beta-Hydroxy-5-alpha-androstan-3-one|17-Hydroxy-androstan-3-one|17-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17beta-Hydroxy-3-androstanone|17beta-hydroxy-3-oxo-5alpha-androstanone|17beta-hydroxy-5alpha-androstan-3-one|17beta-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17b-Hydroxy-5a-androstan-3-one|17b-Hydroxy-5a-androstane-3-one|4-Dihydrotestosterone|4,5-alpha-Dihydrotestosterone|4,5a-Dihydrotestosterone|4,5alpha-dihydrotestosterone|4,5a-Dihydrotestosterone|5-a-Androstanolone|5-alpha-Androstan-17-beta-ol-3-one|5-alpha-Androstanolone|5-alpha-Dihydrotestosterone|5a-Androstan-17b-ol-3-one|5A-Androstan-3-on-17B-ol|5a-Dihydrotestosterone|5alpha-androstan-17beta-ol-3-one|5alpha-DHT|5alpha-Dihydroxytestosterone|5alpha,17beta-Hydroxyandrostan-3-one|5alpha,17eta-Hydroxyandrostan-3-one|5B-Androstan-3-on-17B-ol|5a-Androstan-17b-|1050679-06-5|12040-51-6|28801-96-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022364
ARPathway2016 ARPathway2016_368 5alpha-Dihydrotestosterone 521-18-6 DTXSID9022364 1.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C 5alpha-Dihydrotestosterone 521-18-6|5alpha-Dihydrotestosterone|(+)-Androstan-17b-ol-3-one|(1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-one|(5-alpha,17-beta)-17-Hydroxyandrostan-3-one|17-beta-Hydroxy-5-alpha-androstan-3-one|17-Hydroxy-androstan-3-one|17-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17beta-Hydroxy-3-androstanone|17beta-hydroxy-3-oxo-5alpha-androstanone|17beta-hydroxy-5alpha-androstan-3-one|17beta-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17b-Hydroxy-5a-androstan-3-one|17b-Hydroxy-5a-androstane-3-one|4-Dihydrotestosterone|4,5-alpha-Dihydrotestosterone|4,5a-Dihydrotestosterone|4,5alpha-dihydrotestosterone|4,5a-Dihydrotestosterone|5-a-Androstanolone|5-alpha-Androstan-17-beta-ol-3-one|5-alpha-Androstanolone|5-alpha-Dihydrotestosterone|5a-Androstan-17b-ol-3-one|5A-Androstan-3-on-17B-ol|5a-Dihydrotestosterone|5alpha-androstan-17beta-ol-3-one|5alpha-DHT|5alpha-Dihydroxytestosterone|5alpha,17beta-Hydroxyandrostan-3-one|5alpha,17eta-Hydroxyandrostan-3-one|5B-Androstan-3-on-17B-ol|5a-Androstan-17b-|1050679-06-5|12040-51-6|28801-96-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022364
ARPathway2016 ARPathway2016_368 5alpha-Dihydrotestosterone 521-18-6 DTXSID9022364 1.0 Agonist AR Pathway Model, Agonist Model Score 1.57 Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C 5alpha-Dihydrotestosterone 521-18-6|5alpha-Dihydrotestosterone|(+)-Androstan-17b-ol-3-one|(1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-one|(5-alpha,17-beta)-17-Hydroxyandrostan-3-one|17-beta-Hydroxy-5-alpha-androstan-3-one|17-Hydroxy-androstan-3-one|17-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17beta-Hydroxy-3-androstanone|17beta-hydroxy-3-oxo-5alpha-androstanone|17beta-hydroxy-5alpha-androstan-3-one|17beta-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17b-Hydroxy-5a-androstan-3-one|17b-Hydroxy-5a-androstane-3-one|4-Dihydrotestosterone|4,5-alpha-Dihydrotestosterone|4,5a-Dihydrotestosterone|4,5alpha-dihydrotestosterone|4,5a-Dihydrotestosterone|5-a-Androstanolone|5-alpha-Androstan-17-beta-ol-3-one|5-alpha-Androstanolone|5-alpha-Dihydrotestosterone|5a-Androstan-17b-ol-3-one|5A-Androstan-3-on-17B-ol|5a-Dihydrotestosterone|5alpha-androstan-17beta-ol-3-one|5alpha-DHT|5alpha-Dihydroxytestosterone|5alpha,17beta-Hydroxyandrostan-3-one|5alpha,17eta-Hydroxyandrostan-3-one|5B-Androstan-3-on-17B-ol|5a-Androstan-17b-|1050679-06-5|12040-51-6|28801-96-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022364
ARPathway2016 ARPathway2016_368 5alpha-Dihydrotestosterone 521-18-6 DTXSID9022364 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C 5alpha-Dihydrotestosterone 521-18-6|5alpha-Dihydrotestosterone|(+)-Androstan-17b-ol-3-one|(1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-one|(5-alpha,17-beta)-17-Hydroxyandrostan-3-one|17-beta-Hydroxy-5-alpha-androstan-3-one|17-Hydroxy-androstan-3-one|17-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17beta-Hydroxy-3-androstanone|17beta-hydroxy-3-oxo-5alpha-androstanone|17beta-hydroxy-5alpha-androstan-3-one|17beta-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17b-Hydroxy-5a-androstan-3-one|17b-Hydroxy-5a-androstane-3-one|4-Dihydrotestosterone|4,5-alpha-Dihydrotestosterone|4,5a-Dihydrotestosterone|4,5alpha-dihydrotestosterone|4,5a-Dihydrotestosterone|5-a-Androstanolone|5-alpha-Androstan-17-beta-ol-3-one|5-alpha-Androstanolone|5-alpha-Dihydrotestosterone|5a-Androstan-17b-ol-3-one|5A-Androstan-3-on-17B-ol|5a-Dihydrotestosterone|5alpha-androstan-17beta-ol-3-one|5alpha-DHT|5alpha-Dihydroxytestosterone|5alpha,17beta-Hydroxyandrostan-3-one|5alpha,17eta-Hydroxyandrostan-3-one|5B-Androstan-3-on-17B-ol|5a-Androstan-17b-|1050679-06-5|12040-51-6|28801-96-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022364
ARPathway2016 ARPathway2016_368 5alpha-Dihydrotestosterone 521-18-6 DTXSID9022364 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C 5alpha-Dihydrotestosterone 521-18-6|5alpha-Dihydrotestosterone|(+)-Androstan-17b-ol-3-one|(1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-one|(5-alpha,17-beta)-17-Hydroxyandrostan-3-one|17-beta-Hydroxy-5-alpha-androstan-3-one|17-Hydroxy-androstan-3-one|17-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17beta-Hydroxy-3-androstanone|17beta-hydroxy-3-oxo-5alpha-androstanone|17beta-hydroxy-5alpha-androstan-3-one|17beta-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17b-Hydroxy-5a-androstan-3-one|17b-Hydroxy-5a-androstane-3-one|4-Dihydrotestosterone|4,5-alpha-Dihydrotestosterone|4,5a-Dihydrotestosterone|4,5alpha-dihydrotestosterone|4,5a-Dihydrotestosterone|5-a-Androstanolone|5-alpha-Androstan-17-beta-ol-3-one|5-alpha-Androstanolone|5-alpha-Dihydrotestosterone|5a-Androstan-17b-ol-3-one|5A-Androstan-3-on-17B-ol|5a-Dihydrotestosterone|5alpha-androstan-17beta-ol-3-one|5alpha-DHT|5alpha-Dihydroxytestosterone|5alpha,17beta-Hydroxyandrostan-3-one|5alpha,17eta-Hydroxyandrostan-3-one|5B-Androstan-3-on-17B-ol|5a-Androstan-17b-|1050679-06-5|12040-51-6|28801-96-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022364
ERPathway2016 ERPathway2016_166 5alpha-Dihydrotestosterone 521-18-6 DTXSID9022364 Agonist ER Pathway Model, Antagonist AC50 2.7927912363768 uM [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C 5alpha-Dihydrotestosterone 521-18-6|5alpha-Dihydrotestosterone|(+)-Androstan-17b-ol-3-one|(1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-one|(5-alpha,17-beta)-17-Hydroxyandrostan-3-one|17-beta-Hydroxy-5-alpha-androstan-3-one|17-Hydroxy-androstan-3-one|17-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17beta-Hydroxy-3-androstanone|17beta-hydroxy-3-oxo-5alpha-androstanone|17beta-hydroxy-5alpha-androstan-3-one|17beta-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17b-Hydroxy-5a-androstan-3-one|17b-Hydroxy-5a-androstane-3-one|4-Dihydrotestosterone|4,5-alpha-Dihydrotestosterone|4,5a-Dihydrotestosterone|4,5alpha-dihydrotestosterone|4,5a-Dihydrotestosterone|5-a-Androstanolone|5-alpha-Androstan-17-beta-ol-3-one|5-alpha-Androstanolone|5-alpha-Dihydrotestosterone|5a-Androstan-17b-ol-3-one|5A-Androstan-3-on-17B-ol|5a-Dihydrotestosterone|5alpha-androstan-17beta-ol-3-one|5alpha-DHT|5alpha-Dihydroxytestosterone|5alpha,17beta-Hydroxyandrostan-3-one|5alpha,17eta-Hydroxyandrostan-3-one|5B-Androstan-3-on-17B-ol|5a-Androstan-17b-|1050679-06-5|12040-51-6|28801-96-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022364
ERPathway2016 ERPathway2016_166 5alpha-Dihydrotestosterone 521-18-6 DTXSID9022364 Agonist ER Pathway Model, Antagonist ACC 1.89658685545609 uM [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C 5alpha-Dihydrotestosterone 521-18-6|5alpha-Dihydrotestosterone|(+)-Androstan-17b-ol-3-one|(1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-one|(5-alpha,17-beta)-17-Hydroxyandrostan-3-one|17-beta-Hydroxy-5-alpha-androstan-3-one|17-Hydroxy-androstan-3-one|17-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17beta-Hydroxy-3-androstanone|17beta-hydroxy-3-oxo-5alpha-androstanone|17beta-hydroxy-5alpha-androstan-3-one|17beta-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17b-Hydroxy-5a-androstan-3-one|17b-Hydroxy-5a-androstane-3-one|4-Dihydrotestosterone|4,5-alpha-Dihydrotestosterone|4,5a-Dihydrotestosterone|4,5alpha-dihydrotestosterone|4,5a-Dihydrotestosterone|5-a-Androstanolone|5-alpha-Androstan-17-beta-ol-3-one|5-alpha-Androstanolone|5-alpha-Dihydrotestosterone|5a-Androstan-17b-ol-3-one|5A-Androstan-3-on-17B-ol|5a-Dihydrotestosterone|5alpha-androstan-17beta-ol-3-one|5alpha-DHT|5alpha-Dihydroxytestosterone|5alpha,17beta-Hydroxyandrostan-3-one|5alpha,17eta-Hydroxyandrostan-3-one|5B-Androstan-3-on-17B-ol|5a-Androstan-17b-|1050679-06-5|12040-51-6|28801-96-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022364
ERPathway2016 ERPathway2016_166 5alpha-Dihydrotestosterone 521-18-6 DTXSID9022364 Agonist ER Pathway Model, Agonist Model Score 0.4 Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C 5alpha-Dihydrotestosterone 521-18-6|5alpha-Dihydrotestosterone|(+)-Androstan-17b-ol-3-one|(1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-one|(5-alpha,17-beta)-17-Hydroxyandrostan-3-one|17-beta-Hydroxy-5-alpha-androstan-3-one|17-Hydroxy-androstan-3-one|17-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17beta-Hydroxy-3-androstanone|17beta-hydroxy-3-oxo-5alpha-androstanone|17beta-hydroxy-5alpha-androstan-3-one|17beta-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17b-Hydroxy-5a-androstan-3-one|17b-Hydroxy-5a-androstane-3-one|4-Dihydrotestosterone|4,5-alpha-Dihydrotestosterone|4,5a-Dihydrotestosterone|4,5alpha-dihydrotestosterone|4,5a-Dihydrotestosterone|5-a-Androstanolone|5-alpha-Androstan-17-beta-ol-3-one|5-alpha-Androstanolone|5-alpha-Dihydrotestosterone|5a-Androstan-17b-ol-3-one|5A-Androstan-3-on-17B-ol|5a-Dihydrotestosterone|5alpha-androstan-17beta-ol-3-one|5alpha-DHT|5alpha-Dihydroxytestosterone|5alpha,17beta-Hydroxyandrostan-3-one|5alpha,17eta-Hydroxyandrostan-3-one|5B-Androstan-3-on-17B-ol|5a-Androstan-17b-|1050679-06-5|12040-51-6|28801-96-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022364
ERPathway2016 ERPathway2016_166 5alpha-Dihydrotestosterone 521-18-6 DTXSID9022364 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C 5alpha-Dihydrotestosterone 521-18-6|5alpha-Dihydrotestosterone|(+)-Androstan-17b-ol-3-one|(1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-one|(5-alpha,17-beta)-17-Hydroxyandrostan-3-one|17-beta-Hydroxy-5-alpha-androstan-3-one|17-Hydroxy-androstan-3-one|17-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17beta-Hydroxy-3-androstanone|17beta-hydroxy-3-oxo-5alpha-androstanone|17beta-hydroxy-5alpha-androstan-3-one|17beta-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17b-Hydroxy-5a-androstan-3-one|17b-Hydroxy-5a-androstane-3-one|4-Dihydrotestosterone|4,5-alpha-Dihydrotestosterone|4,5a-Dihydrotestosterone|4,5alpha-dihydrotestosterone|4,5a-Dihydrotestosterone|5-a-Androstanolone|5-alpha-Androstan-17-beta-ol-3-one|5-alpha-Androstanolone|5-alpha-Dihydrotestosterone|5a-Androstan-17b-ol-3-one|5A-Androstan-3-on-17B-ol|5a-Dihydrotestosterone|5alpha-androstan-17beta-ol-3-one|5alpha-DHT|5alpha-Dihydroxytestosterone|5alpha,17beta-Hydroxyandrostan-3-one|5alpha,17eta-Hydroxyandrostan-3-one|5B-Androstan-3-on-17B-ol|5a-Androstan-17b-|1050679-06-5|12040-51-6|28801-96-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022364
ERPathway2016 ERPathway2016_166 5alpha-Dihydrotestosterone 521-18-6 DTXSID9022364 Agonist ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C 5alpha-Dihydrotestosterone 521-18-6|5alpha-Dihydrotestosterone|(+)-Androstan-17b-ol-3-one|(1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-one|(5-alpha,17-beta)-17-Hydroxyandrostan-3-one|17-beta-Hydroxy-5-alpha-androstan-3-one|17-Hydroxy-androstan-3-one|17-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17beta-Hydroxy-3-androstanone|17beta-hydroxy-3-oxo-5alpha-androstanone|17beta-hydroxy-5alpha-androstan-3-one|17beta-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17b-Hydroxy-5a-androstan-3-one|17b-Hydroxy-5a-androstane-3-one|4-Dihydrotestosterone|4,5-alpha-Dihydrotestosterone|4,5a-Dihydrotestosterone|4,5alpha-dihydrotestosterone|4,5a-Dihydrotestosterone|5-a-Androstanolone|5-alpha-Androstan-17-beta-ol-3-one|5-alpha-Androstanolone|5-alpha-Dihydrotestosterone|5a-Androstan-17b-ol-3-one|5A-Androstan-3-on-17B-ol|5a-Dihydrotestosterone|5alpha-androstan-17beta-ol-3-one|5alpha-DHT|5alpha-Dihydroxytestosterone|5alpha,17beta-Hydroxyandrostan-3-one|5alpha,17eta-Hydroxyandrostan-3-one|5B-Androstan-3-on-17B-ol|5a-Androstan-17b-|1050679-06-5|12040-51-6|28801-96-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022364
ERPathway2016 ERPathway2016_166 5alpha-Dihydrotestosterone 521-18-6 DTXSID9022364 Agonist ER Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C 5alpha-Dihydrotestosterone 521-18-6|5alpha-Dihydrotestosterone|(+)-Androstan-17b-ol-3-one|(1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-one|(5-alpha,17-beta)-17-Hydroxyandrostan-3-one|17-beta-Hydroxy-5-alpha-androstan-3-one|17-Hydroxy-androstan-3-one|17-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17beta-Hydroxy-3-androstanone|17beta-hydroxy-3-oxo-5alpha-androstanone|17beta-hydroxy-5alpha-androstan-3-one|17beta-Hydroxyandrostan-3-one|17b-Hydroxy-3-androstanone|17b-Hydroxy-5a-androstan-3-one|17b-Hydroxy-5a-androstane-3-one|4-Dihydrotestosterone|4,5-alpha-Dihydrotestosterone|4,5a-Dihydrotestosterone|4,5alpha-dihydrotestosterone|4,5a-Dihydrotestosterone|5-a-Androstanolone|5-alpha-Androstan-17-beta-ol-3-one|5-alpha-Androstanolone|5-alpha-Dihydrotestosterone|5a-Androstan-17b-ol-3-one|5A-Androstan-3-on-17B-ol|5a-Dihydrotestosterone|5alpha-androstan-17beta-ol-3-one|5alpha-DHT|5alpha-Dihydroxytestosterone|5alpha,17beta-Hydroxyandrostan-3-one|5alpha,17eta-Hydroxyandrostan-3-one|5B-Androstan-3-on-17B-ol|5a-Androstan-17b-|1050679-06-5|12040-51-6|28801-96-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022364
ARPathway2016 ARPathway2016_1101 5-Amino-2-methylphenol 2835-95-2 DTXSID9024489 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(O)C=C(N)C=C1 5-Amino-2-methylphenol 2835-95-2|5-Amino-2-methylphenol|1-Methyl-2-hydroxy-4-aminobenzene|2-Hydroxy-4-aminotoluene|2-Hydroxy-p-toluidine|2-Methyl-5-aminophenol|3-Amino-6-methylphenol|3-Hydroxy-4-methylaniline|3-Hydroxy-p-toluidine|4-Amino-2-hydroxytoluene|5-Amino-o-cresol|5-Amino-o-kresol|6-Methyl-3-aminophenol|BRN 2802317|EINECS 220-618-6|o-Cresol, 5-amino-|Phenol, 5-amino-2-methyl-|UNII-UBB8XEB10B https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024489 https://doi.org/10.22427/NTP-DATA-DTXSID9024489
ARPathway2016 ARPathway2016_1101 5-Amino-2-methylphenol 2835-95-2 DTXSID9024489 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(O)C=C(N)C=C1 5-Amino-2-methylphenol 2835-95-2|5-Amino-2-methylphenol|1-Methyl-2-hydroxy-4-aminobenzene|2-Hydroxy-4-aminotoluene|2-Hydroxy-p-toluidine|2-Methyl-5-aminophenol|3-Amino-6-methylphenol|3-Hydroxy-4-methylaniline|3-Hydroxy-p-toluidine|4-Amino-2-hydroxytoluene|5-Amino-o-cresol|5-Amino-o-kresol|6-Methyl-3-aminophenol|BRN 2802317|EINECS 220-618-6|o-Cresol, 5-amino-|Phenol, 5-amino-2-methyl-|UNII-UBB8XEB10B https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024489 https://doi.org/10.22427/NTP-DATA-DTXSID9024489
ARPathway2016 ARPathway2016_1101 5-Amino-2-methylphenol 2835-95-2 DTXSID9024489 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(O)C=C(N)C=C1 5-Amino-2-methylphenol 2835-95-2|5-Amino-2-methylphenol|1-Methyl-2-hydroxy-4-aminobenzene|2-Hydroxy-4-aminotoluene|2-Hydroxy-p-toluidine|2-Methyl-5-aminophenol|3-Amino-6-methylphenol|3-Hydroxy-4-methylaniline|3-Hydroxy-p-toluidine|4-Amino-2-hydroxytoluene|5-Amino-o-cresol|5-Amino-o-kresol|6-Methyl-3-aminophenol|BRN 2802317|EINECS 220-618-6|o-Cresol, 5-amino-|Phenol, 5-amino-2-methyl-|UNII-UBB8XEB10B https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024489 https://doi.org/10.22427/NTP-DATA-DTXSID9024489
ARPathway2016 ARPathway2016_1101 5-Amino-2-methylphenol 2835-95-2 DTXSID9024489 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(O)C=C(N)C=C1 5-Amino-2-methylphenol 2835-95-2|5-Amino-2-methylphenol|1-Methyl-2-hydroxy-4-aminobenzene|2-Hydroxy-4-aminotoluene|2-Hydroxy-p-toluidine|2-Methyl-5-aminophenol|3-Amino-6-methylphenol|3-Hydroxy-4-methylaniline|3-Hydroxy-p-toluidine|4-Amino-2-hydroxytoluene|5-Amino-o-cresol|5-Amino-o-kresol|6-Methyl-3-aminophenol|BRN 2802317|EINECS 220-618-6|o-Cresol, 5-amino-|Phenol, 5-amino-2-methyl-|UNII-UBB8XEB10B https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024489 https://doi.org/10.22427/NTP-DATA-DTXSID9024489
ERPathway2016 ERPathway2016_1428 5-Amino-2-methylphenol 2835-95-2 DTXSID9024489 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(O)C=C(N)C=C1 5-Amino-2-methylphenol 2835-95-2|5-Amino-2-methylphenol|1-Methyl-2-hydroxy-4-aminobenzene|2-Hydroxy-4-aminotoluene|2-Hydroxy-p-toluidine|2-Methyl-5-aminophenol|3-Amino-6-methylphenol|3-Hydroxy-4-methylaniline|3-Hydroxy-p-toluidine|4-Amino-2-hydroxytoluene|5-Amino-o-cresol|5-Amino-o-kresol|6-Methyl-3-aminophenol|BRN 2802317|EINECS 220-618-6|o-Cresol, 5-amino-|Phenol, 5-amino-2-methyl-|UNII-UBB8XEB10B https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024489 https://doi.org/10.22427/NTP-DATA-DTXSID9024489
ERPathway2016 ERPathway2016_1428 5-Amino-2-methylphenol 2835-95-2 DTXSID9024489 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(O)C=C(N)C=C1 5-Amino-2-methylphenol 2835-95-2|5-Amino-2-methylphenol|1-Methyl-2-hydroxy-4-aminobenzene|2-Hydroxy-4-aminotoluene|2-Hydroxy-p-toluidine|2-Methyl-5-aminophenol|3-Amino-6-methylphenol|3-Hydroxy-4-methylaniline|3-Hydroxy-p-toluidine|4-Amino-2-hydroxytoluene|5-Amino-o-cresol|5-Amino-o-kresol|6-Methyl-3-aminophenol|BRN 2802317|EINECS 220-618-6|o-Cresol, 5-amino-|Phenol, 5-amino-2-methyl-|UNII-UBB8XEB10B https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024489 https://doi.org/10.22427/NTP-DATA-DTXSID9024489
ERPathway2016 ERPathway2016_1428 5-Amino-2-methylphenol 2835-95-2 DTXSID9024489 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(O)C=C(N)C=C1 5-Amino-2-methylphenol 2835-95-2|5-Amino-2-methylphenol|1-Methyl-2-hydroxy-4-aminobenzene|2-Hydroxy-4-aminotoluene|2-Hydroxy-p-toluidine|2-Methyl-5-aminophenol|3-Amino-6-methylphenol|3-Hydroxy-4-methylaniline|3-Hydroxy-p-toluidine|4-Amino-2-hydroxytoluene|5-Amino-o-cresol|5-Amino-o-kresol|6-Methyl-3-aminophenol|BRN 2802317|EINECS 220-618-6|o-Cresol, 5-amino-|Phenol, 5-amino-2-methyl-|UNII-UBB8XEB10B https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024489 https://doi.org/10.22427/NTP-DATA-DTXSID9024489
ERPathway2016 ERPathway2016_1428 5-Amino-2-methylphenol 2835-95-2 DTXSID9024489 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(O)C=C(N)C=C1 5-Amino-2-methylphenol 2835-95-2|5-Amino-2-methylphenol|1-Methyl-2-hydroxy-4-aminobenzene|2-Hydroxy-4-aminotoluene|2-Hydroxy-p-toluidine|2-Methyl-5-aminophenol|3-Amino-6-methylphenol|3-Hydroxy-4-methylaniline|3-Hydroxy-p-toluidine|4-Amino-2-hydroxytoluene|5-Amino-o-cresol|5-Amino-o-kresol|6-Methyl-3-aminophenol|BRN 2802317|EINECS 220-618-6|o-Cresol, 5-amino-|Phenol, 5-amino-2-methyl-|UNII-UBB8XEB10B https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024489 https://doi.org/10.22427/NTP-DATA-DTXSID9024489
ARPathway2016 ARPathway2016_1068 5-Chloro-2-methyl-3(2H)-isothiazolone 26172-55-4 DTXSID9034286 0.0 A9 AR Pathway Model, Antagonist Model Score 0 Unitless CN1SC(Cl)=CC1=O 5-Chloro-2-methyl-3(2H)-isothiazolone 26172-55-4|5-Chloro-2-methyl-3(2H)-isothiazolone|2-METHYL-5-CHLORO ISOTHIAZOLINONE|2-Methyl-5-chloro-3-isothiazolone|2-Methyl-5-chloroisothiazolin-3-one|2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole|3(2H)-Isothiazolone, 5-chloro-2-methyl-|4-Isothiazolin-3-one, 5-chloro-2-methyl-|5-Chlor-2-methyl-2H-isothiazol-3-on|5-Chloro-2-methyl-2H-isothiazol-3-one|5-chloro-2-methyl-2H-isothiazole-3-one|5-Chloro-2-methyl-3-isothiazolone|5-Chloro-2-methyl-4-isothiazolin-3-on|5-Chloro-2-methyl-4-isothiazolin-3-one|5-Chloro-2-methyl-4-isothiazoline-3-one|5-Chloro-2-methylisothiazolin-3-one|5-Chloro-N-methylisothiazolin-3-one|5-Chloro-N-methylisothiazolone|5-cloro-2-metil-2H-isotiazol-3-ona|BRN 1210149|CHLOROMETHYL ISOTHIAZOLONE|chloromethylisothiazolinone|CMIT|EINECS 247-500-7|ISOTHIAZOL(2H)-3-ONE, 5-CHLORO-2-METHYL-|Kathon CG 5243|Kathon IXE|MCI|METHYL CHLOROISOTHIAZOLINONE|Methylchloroisothiazolinone|N-Methyl-5-chloroisothiazolin-3-one|N-Methyl-5-chloroisothiazolone|UNII-DEL7T5QRPN|137086-87-4|137662-59-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034286
ARPathway2016 ARPathway2016_1068 5-Chloro-2-methyl-3(2H)-isothiazolone 26172-55-4 DTXSID9034286 0.0 A9 AR Pathway Model, Agonist Model Score 0 Unitless CN1SC(Cl)=CC1=O 5-Chloro-2-methyl-3(2H)-isothiazolone 26172-55-4|5-Chloro-2-methyl-3(2H)-isothiazolone|2-METHYL-5-CHLORO ISOTHIAZOLINONE|2-Methyl-5-chloro-3-isothiazolone|2-Methyl-5-chloroisothiazolin-3-one|2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole|3(2H)-Isothiazolone, 5-chloro-2-methyl-|4-Isothiazolin-3-one, 5-chloro-2-methyl-|5-Chlor-2-methyl-2H-isothiazol-3-on|5-Chloro-2-methyl-2H-isothiazol-3-one|5-chloro-2-methyl-2H-isothiazole-3-one|5-Chloro-2-methyl-3-isothiazolone|5-Chloro-2-methyl-4-isothiazolin-3-on|5-Chloro-2-methyl-4-isothiazolin-3-one|5-Chloro-2-methyl-4-isothiazoline-3-one|5-Chloro-2-methylisothiazolin-3-one|5-Chloro-N-methylisothiazolin-3-one|5-Chloro-N-methylisothiazolone|5-cloro-2-metil-2H-isotiazol-3-ona|BRN 1210149|CHLOROMETHYL ISOTHIAZOLONE|chloromethylisothiazolinone|CMIT|EINECS 247-500-7|ISOTHIAZOL(2H)-3-ONE, 5-CHLORO-2-METHYL-|Kathon CG 5243|Kathon IXE|MCI|METHYL CHLOROISOTHIAZOLINONE|Methylchloroisothiazolinone|N-Methyl-5-chloroisothiazolin-3-one|N-Methyl-5-chloroisothiazolone|UNII-DEL7T5QRPN|137086-87-4|137662-59-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034286
ARPathway2016 ARPathway2016_1068 5-Chloro-2-methyl-3(2H)-isothiazolone 26172-55-4 DTXSID9034286 0.0 A9 AR Pathway Model, Agonist Call Inactive Unitless CN1SC(Cl)=CC1=O 5-Chloro-2-methyl-3(2H)-isothiazolone 26172-55-4|5-Chloro-2-methyl-3(2H)-isothiazolone|2-METHYL-5-CHLORO ISOTHIAZOLINONE|2-Methyl-5-chloro-3-isothiazolone|2-Methyl-5-chloroisothiazolin-3-one|2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole|3(2H)-Isothiazolone, 5-chloro-2-methyl-|4-Isothiazolin-3-one, 5-chloro-2-methyl-|5-Chlor-2-methyl-2H-isothiazol-3-on|5-Chloro-2-methyl-2H-isothiazol-3-one|5-chloro-2-methyl-2H-isothiazole-3-one|5-Chloro-2-methyl-3-isothiazolone|5-Chloro-2-methyl-4-isothiazolin-3-on|5-Chloro-2-methyl-4-isothiazolin-3-one|5-Chloro-2-methyl-4-isothiazoline-3-one|5-Chloro-2-methylisothiazolin-3-one|5-Chloro-N-methylisothiazolin-3-one|5-Chloro-N-methylisothiazolone|5-cloro-2-metil-2H-isotiazol-3-ona|BRN 1210149|CHLOROMETHYL ISOTHIAZOLONE|chloromethylisothiazolinone|CMIT|EINECS 247-500-7|ISOTHIAZOL(2H)-3-ONE, 5-CHLORO-2-METHYL-|Kathon CG 5243|Kathon IXE|MCI|METHYL CHLOROISOTHIAZOLINONE|Methylchloroisothiazolinone|N-Methyl-5-chloroisothiazolin-3-one|N-Methyl-5-chloroisothiazolone|UNII-DEL7T5QRPN|137086-87-4|137662-59-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034286
ARPathway2016 ARPathway2016_1068 5-Chloro-2-methyl-3(2H)-isothiazolone 26172-55-4 DTXSID9034286 0.0 A9 AR Pathway Model, Antagonist Call Inactive Unitless CN1SC(Cl)=CC1=O 5-Chloro-2-methyl-3(2H)-isothiazolone 26172-55-4|5-Chloro-2-methyl-3(2H)-isothiazolone|2-METHYL-5-CHLORO ISOTHIAZOLINONE|2-Methyl-5-chloro-3-isothiazolone|2-Methyl-5-chloroisothiazolin-3-one|2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole|3(2H)-Isothiazolone, 5-chloro-2-methyl-|4-Isothiazolin-3-one, 5-chloro-2-methyl-|5-Chlor-2-methyl-2H-isothiazol-3-on|5-Chloro-2-methyl-2H-isothiazol-3-one|5-chloro-2-methyl-2H-isothiazole-3-one|5-Chloro-2-methyl-3-isothiazolone|5-Chloro-2-methyl-4-isothiazolin-3-on|5-Chloro-2-methyl-4-isothiazolin-3-one|5-Chloro-2-methyl-4-isothiazoline-3-one|5-Chloro-2-methylisothiazolin-3-one|5-Chloro-N-methylisothiazolin-3-one|5-Chloro-N-methylisothiazolone|5-cloro-2-metil-2H-isotiazol-3-ona|BRN 1210149|CHLOROMETHYL ISOTHIAZOLONE|chloromethylisothiazolinone|CMIT|EINECS 247-500-7|ISOTHIAZOL(2H)-3-ONE, 5-CHLORO-2-METHYL-|Kathon CG 5243|Kathon IXE|MCI|METHYL CHLOROISOTHIAZOLINONE|Methylchloroisothiazolinone|N-Methyl-5-chloroisothiazolin-3-one|N-Methyl-5-chloroisothiazolone|UNII-DEL7T5QRPN|137086-87-4|137662-59-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034286
ERPathway2016 ERPathway2016_1410 5-Chloro-2-methyl-3(2H)-isothiazolone 26172-55-4 DTXSID9034286 ER Pathway Model, Agonist Model Score 0 Unitless CN1SC(Cl)=CC1=O 5-Chloro-2-methyl-3(2H)-isothiazolone 26172-55-4|5-Chloro-2-methyl-3(2H)-isothiazolone|2-METHYL-5-CHLORO ISOTHIAZOLINONE|2-Methyl-5-chloro-3-isothiazolone|2-Methyl-5-chloroisothiazolin-3-one|2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole|3(2H)-Isothiazolone, 5-chloro-2-methyl-|4-Isothiazolin-3-one, 5-chloro-2-methyl-|5-Chlor-2-methyl-2H-isothiazol-3-on|5-Chloro-2-methyl-2H-isothiazol-3-one|5-chloro-2-methyl-2H-isothiazole-3-one|5-Chloro-2-methyl-3-isothiazolone|5-Chloro-2-methyl-4-isothiazolin-3-on|5-Chloro-2-methyl-4-isothiazolin-3-one|5-Chloro-2-methyl-4-isothiazoline-3-one|5-Chloro-2-methylisothiazolin-3-one|5-Chloro-N-methylisothiazolin-3-one|5-Chloro-N-methylisothiazolone|5-cloro-2-metil-2H-isotiazol-3-ona|BRN 1210149|CHLOROMETHYL ISOTHIAZOLONE|chloromethylisothiazolinone|CMIT|EINECS 247-500-7|ISOTHIAZOL(2H)-3-ONE, 5-CHLORO-2-METHYL-|Kathon CG 5243|Kathon IXE|MCI|METHYL CHLOROISOTHIAZOLINONE|Methylchloroisothiazolinone|N-Methyl-5-chloroisothiazolin-3-one|N-Methyl-5-chloroisothiazolone|UNII-DEL7T5QRPN|137086-87-4|137662-59-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034286
ERPathway2016 ERPathway2016_1410 5-Chloro-2-methyl-3(2H)-isothiazolone 26172-55-4 DTXSID9034286 ER Pathway Model, Antagonist Model Score 0 Unitless CN1SC(Cl)=CC1=O 5-Chloro-2-methyl-3(2H)-isothiazolone 26172-55-4|5-Chloro-2-methyl-3(2H)-isothiazolone|2-METHYL-5-CHLORO ISOTHIAZOLINONE|2-Methyl-5-chloro-3-isothiazolone|2-Methyl-5-chloroisothiazolin-3-one|2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole|3(2H)-Isothiazolone, 5-chloro-2-methyl-|4-Isothiazolin-3-one, 5-chloro-2-methyl-|5-Chlor-2-methyl-2H-isothiazol-3-on|5-Chloro-2-methyl-2H-isothiazol-3-one|5-chloro-2-methyl-2H-isothiazole-3-one|5-Chloro-2-methyl-3-isothiazolone|5-Chloro-2-methyl-4-isothiazolin-3-on|5-Chloro-2-methyl-4-isothiazolin-3-one|5-Chloro-2-methyl-4-isothiazoline-3-one|5-Chloro-2-methylisothiazolin-3-one|5-Chloro-N-methylisothiazolin-3-one|5-Chloro-N-methylisothiazolone|5-cloro-2-metil-2H-isotiazol-3-ona|BRN 1210149|CHLOROMETHYL ISOTHIAZOLONE|chloromethylisothiazolinone|CMIT|EINECS 247-500-7|ISOTHIAZOL(2H)-3-ONE, 5-CHLORO-2-METHYL-|Kathon CG 5243|Kathon IXE|MCI|METHYL CHLOROISOTHIAZOLINONE|Methylchloroisothiazolinone|N-Methyl-5-chloroisothiazolin-3-one|N-Methyl-5-chloroisothiazolone|UNII-DEL7T5QRPN|137086-87-4|137662-59-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034286
ERPathway2016 ERPathway2016_1410 5-Chloro-2-methyl-3(2H)-isothiazolone 26172-55-4 DTXSID9034286 ER Pathway Model, Agonist Call Inactive Unitless CN1SC(Cl)=CC1=O 5-Chloro-2-methyl-3(2H)-isothiazolone 26172-55-4|5-Chloro-2-methyl-3(2H)-isothiazolone|2-METHYL-5-CHLORO ISOTHIAZOLINONE|2-Methyl-5-chloro-3-isothiazolone|2-Methyl-5-chloroisothiazolin-3-one|2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole|3(2H)-Isothiazolone, 5-chloro-2-methyl-|4-Isothiazolin-3-one, 5-chloro-2-methyl-|5-Chlor-2-methyl-2H-isothiazol-3-on|5-Chloro-2-methyl-2H-isothiazol-3-one|5-chloro-2-methyl-2H-isothiazole-3-one|5-Chloro-2-methyl-3-isothiazolone|5-Chloro-2-methyl-4-isothiazolin-3-on|5-Chloro-2-methyl-4-isothiazolin-3-one|5-Chloro-2-methyl-4-isothiazoline-3-one|5-Chloro-2-methylisothiazolin-3-one|5-Chloro-N-methylisothiazolin-3-one|5-Chloro-N-methylisothiazolone|5-cloro-2-metil-2H-isotiazol-3-ona|BRN 1210149|CHLOROMETHYL ISOTHIAZOLONE|chloromethylisothiazolinone|CMIT|EINECS 247-500-7|ISOTHIAZOL(2H)-3-ONE, 5-CHLORO-2-METHYL-|Kathon CG 5243|Kathon IXE|MCI|METHYL CHLOROISOTHIAZOLINONE|Methylchloroisothiazolinone|N-Methyl-5-chloroisothiazolin-3-one|N-Methyl-5-chloroisothiazolone|UNII-DEL7T5QRPN|137086-87-4|137662-59-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034286
ERPathway2016 ERPathway2016_1410 5-Chloro-2-methyl-3(2H)-isothiazolone 26172-55-4 DTXSID9034286 ER Pathway Model, Antagonist Call Inactive Unitless CN1SC(Cl)=CC1=O 5-Chloro-2-methyl-3(2H)-isothiazolone 26172-55-4|5-Chloro-2-methyl-3(2H)-isothiazolone|2-METHYL-5-CHLORO ISOTHIAZOLINONE|2-Methyl-5-chloro-3-isothiazolone|2-Methyl-5-chloroisothiazolin-3-one|2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole|3(2H)-Isothiazolone, 5-chloro-2-methyl-|4-Isothiazolin-3-one, 5-chloro-2-methyl-|5-Chlor-2-methyl-2H-isothiazol-3-on|5-Chloro-2-methyl-2H-isothiazol-3-one|5-chloro-2-methyl-2H-isothiazole-3-one|5-Chloro-2-methyl-3-isothiazolone|5-Chloro-2-methyl-4-isothiazolin-3-on|5-Chloro-2-methyl-4-isothiazolin-3-one|5-Chloro-2-methyl-4-isothiazoline-3-one|5-Chloro-2-methylisothiazolin-3-one|5-Chloro-N-methylisothiazolin-3-one|5-Chloro-N-methylisothiazolone|5-cloro-2-metil-2H-isotiazol-3-ona|BRN 1210149|CHLOROMETHYL ISOTHIAZOLONE|chloromethylisothiazolinone|CMIT|EINECS 247-500-7|ISOTHIAZOL(2H)-3-ONE, 5-CHLORO-2-METHYL-|Kathon CG 5243|Kathon IXE|MCI|METHYL CHLOROISOTHIAZOLINONE|Methylchloroisothiazolinone|N-Methyl-5-chloroisothiazolin-3-one|N-Methyl-5-chloroisothiazolone|UNII-DEL7T5QRPN|137086-87-4|137662-59-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034286
ARPathway2016 ARPathway2016_1246 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide 50-65-7 DTXSID7040362 FLAG: Wrong direction shift (Hit/Hit) -1.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide 50-65-7|5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide|2-Chloro-4-nitrophenylamide-6-chlorosalicylic acid|2-Hydroxy-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide|2',5-Dichlor-4'-nitro-salizylsaeureanilid|2',5-Dichloro-4'-nitrosalicylanilide|2',5-Dichloro-4'-nitrosalicylanilide|5-Chloro-2'-chloro-4'-nitrosalicylanilide|5-Chloro-2'-chloro-4'-nitrosalicylanilide|5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-Benzamide|5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide|5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide|5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide|5-Chlorosalicyloyl-(o-chloro-p-nitranilide)|Atenase|BAY 2353|Bayer 2353|Bayluscid|Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-|BRN 2820605|Cestocid|Cestocide|Chemagro 2353|Devermin|Devermine|EC No.: 200-056-8|EINECS 200-056-8|Fedal-Telmin|Fenasal|Helmiantin|HL 2447|Iomesan|Iomezan|Lintex|Mansonil|Mato|N-(2-Chloro-4-nitrophenyl)-5-chlorosalicylamide|N-(2'-Chlor-4'-nitrophenyl)-5-chlorsalicylamid|N-(2'-Chloro-4'-nitrophenyl)-5-chlorosalicylamide|Nasemo|Niclocide|Niclosamide|N|12687-52-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040362
ARPathway2016 ARPathway2016_1246 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide 50-65-7 DTXSID7040362 FLAG: Wrong direction shift (Hit/Hit) -1.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide 50-65-7|5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide|2-Chloro-4-nitrophenylamide-6-chlorosalicylic acid|2-Hydroxy-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide|2',5-Dichlor-4'-nitro-salizylsaeureanilid|2',5-Dichloro-4'-nitrosalicylanilide|2',5-Dichloro-4'-nitrosalicylanilide|5-Chloro-2'-chloro-4'-nitrosalicylanilide|5-Chloro-2'-chloro-4'-nitrosalicylanilide|5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-Benzamide|5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide|5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide|5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide|5-Chlorosalicyloyl-(o-chloro-p-nitranilide)|Atenase|BAY 2353|Bayer 2353|Bayluscid|Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-|BRN 2820605|Cestocid|Cestocide|Chemagro 2353|Devermin|Devermine|EC No.: 200-056-8|EINECS 200-056-8|Fedal-Telmin|Fenasal|Helmiantin|HL 2447|Iomesan|Iomezan|Lintex|Mansonil|Mato|N-(2-Chloro-4-nitrophenyl)-5-chlorosalicylamide|N-(2'-Chlor-4'-nitrophenyl)-5-chlorsalicylamid|N-(2'-Chloro-4'-nitrophenyl)-5-chlorosalicylamide|Nasemo|Niclocide|Niclosamide|N|12687-52-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040362
ARPathway2016 ARPathway2016_1246 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide 50-65-7 DTXSID7040362 FLAG: Wrong direction shift (Hit/Hit) -1.0 A11 AR Pathway Model, Agonist Call Inactive Unitless OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide 50-65-7|5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide|2-Chloro-4-nitrophenylamide-6-chlorosalicylic acid|2-Hydroxy-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide|2',5-Dichlor-4'-nitro-salizylsaeureanilid|2',5-Dichloro-4'-nitrosalicylanilide|2',5-Dichloro-4'-nitrosalicylanilide|5-Chloro-2'-chloro-4'-nitrosalicylanilide|5-Chloro-2'-chloro-4'-nitrosalicylanilide|5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-Benzamide|5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide|5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide|5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide|5-Chlorosalicyloyl-(o-chloro-p-nitranilide)|Atenase|BAY 2353|Bayer 2353|Bayluscid|Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-|BRN 2820605|Cestocid|Cestocide|Chemagro 2353|Devermin|Devermine|EC No.: 200-056-8|EINECS 200-056-8|Fedal-Telmin|Fenasal|Helmiantin|HL 2447|Iomesan|Iomezan|Lintex|Mansonil|Mato|N-(2-Chloro-4-nitrophenyl)-5-chlorosalicylamide|N-(2'-Chlor-4'-nitrophenyl)-5-chlorsalicylamid|N-(2'-Chloro-4'-nitrophenyl)-5-chlorosalicylamide|Nasemo|Niclocide|Niclosamide|N|12687-52-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040362
ARPathway2016 ARPathway2016_1246 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide 50-65-7 DTXSID7040362 FLAG: Wrong direction shift (Hit/Hit) -1.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide 50-65-7|5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide|2-Chloro-4-nitrophenylamide-6-chlorosalicylic acid|2-Hydroxy-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide|2',5-Dichlor-4'-nitro-salizylsaeureanilid|2',5-Dichloro-4'-nitrosalicylanilide|2',5-Dichloro-4'-nitrosalicylanilide|5-Chloro-2'-chloro-4'-nitrosalicylanilide|5-Chloro-2'-chloro-4'-nitrosalicylanilide|5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-Benzamide|5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide|5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide|5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide|5-Chlorosalicyloyl-(o-chloro-p-nitranilide)|Atenase|BAY 2353|Bayer 2353|Bayluscid|Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-|BRN 2820605|Cestocid|Cestocide|Chemagro 2353|Devermin|Devermine|EC No.: 200-056-8|EINECS 200-056-8|Fedal-Telmin|Fenasal|Helmiantin|HL 2447|Iomesan|Iomezan|Lintex|Mansonil|Mato|N-(2-Chloro-4-nitrophenyl)-5-chlorosalicylamide|N-(2'-Chlor-4'-nitrophenyl)-5-chlorsalicylamid|N-(2'-Chloro-4'-nitrophenyl)-5-chlorosalicylamide|Nasemo|Niclocide|Niclosamide|N|12687-52-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040362
ERPathway2016 ERPathway2016_602 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide 50-65-7 DTXSID7040362 A18 ER Pathway Model, Agonist Model Score 0 Unitless OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide 50-65-7|5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide|2-Chloro-4-nitrophenylamide-6-chlorosalicylic acid|2-Hydroxy-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide|2',5-Dichlor-4'-nitro-salizylsaeureanilid|2',5-Dichloro-4'-nitrosalicylanilide|2',5-Dichloro-4'-nitrosalicylanilide|5-Chloro-2'-chloro-4'-nitrosalicylanilide|5-Chloro-2'-chloro-4'-nitrosalicylanilide|5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-Benzamide|5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide|5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide|5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide|5-Chlorosalicyloyl-(o-chloro-p-nitranilide)|Atenase|BAY 2353|Bayer 2353|Bayluscid|Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-|BRN 2820605|Cestocid|Cestocide|Chemagro 2353|Devermin|Devermine|EC No.: 200-056-8|EINECS 200-056-8|Fedal-Telmin|Fenasal|Helmiantin|HL 2447|Iomesan|Iomezan|Lintex|Mansonil|Mato|N-(2-Chloro-4-nitrophenyl)-5-chlorosalicylamide|N-(2'-Chlor-4'-nitrophenyl)-5-chlorsalicylamid|N-(2'-Chloro-4'-nitrophenyl)-5-chlorosalicylamide|Nasemo|Niclocide|Niclosamide|N|12687-52-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040362
ERPathway2016 ERPathway2016_602 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide 50-65-7 DTXSID7040362 A18 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide 50-65-7|5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide|2-Chloro-4-nitrophenylamide-6-chlorosalicylic acid|2-Hydroxy-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide|2',5-Dichlor-4'-nitro-salizylsaeureanilid|2',5-Dichloro-4'-nitrosalicylanilide|2',5-Dichloro-4'-nitrosalicylanilide|5-Chloro-2'-chloro-4'-nitrosalicylanilide|5-Chloro-2'-chloro-4'-nitrosalicylanilide|5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-Benzamide|5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide|5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide|5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide|5-Chlorosalicyloyl-(o-chloro-p-nitranilide)|Atenase|BAY 2353|Bayer 2353|Bayluscid|Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-|BRN 2820605|Cestocid|Cestocide|Chemagro 2353|Devermin|Devermine|EC No.: 200-056-8|EINECS 200-056-8|Fedal-Telmin|Fenasal|Helmiantin|HL 2447|Iomesan|Iomezan|Lintex|Mansonil|Mato|N-(2-Chloro-4-nitrophenyl)-5-chlorosalicylamide|N-(2'-Chlor-4'-nitrophenyl)-5-chlorsalicylamid|N-(2'-Chloro-4'-nitrophenyl)-5-chlorosalicylamide|Nasemo|Niclocide|Niclosamide|N|12687-52-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040362
ERPathway2016 ERPathway2016_602 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide 50-65-7 DTXSID7040362 A18 ER Pathway Model, Agonist Call Inactive Unitless OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide 50-65-7|5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide|2-Chloro-4-nitrophenylamide-6-chlorosalicylic acid|2-Hydroxy-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide|2',5-Dichlor-4'-nitro-salizylsaeureanilid|2',5-Dichloro-4'-nitrosalicylanilide|2',5-Dichloro-4'-nitrosalicylanilide|5-Chloro-2'-chloro-4'-nitrosalicylanilide|5-Chloro-2'-chloro-4'-nitrosalicylanilide|5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-Benzamide|5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide|5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide|5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide|5-Chlorosalicyloyl-(o-chloro-p-nitranilide)|Atenase|BAY 2353|Bayer 2353|Bayluscid|Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-|BRN 2820605|Cestocid|Cestocide|Chemagro 2353|Devermin|Devermine|EC No.: 200-056-8|EINECS 200-056-8|Fedal-Telmin|Fenasal|Helmiantin|HL 2447|Iomesan|Iomezan|Lintex|Mansonil|Mato|N-(2-Chloro-4-nitrophenyl)-5-chlorosalicylamide|N-(2'-Chlor-4'-nitrophenyl)-5-chlorsalicylamid|N-(2'-Chloro-4'-nitrophenyl)-5-chlorosalicylamide|Nasemo|Niclocide|Niclosamide|N|12687-52-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040362
ERPathway2016 ERPathway2016_602 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide 50-65-7 DTXSID7040362 A18 ER Pathway Model, Antagonist Call Inactive Unitless OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide 50-65-7|5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide|2-Chloro-4-nitrophenylamide-6-chlorosalicylic acid|2-Hydroxy-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide|2',5-Dichlor-4'-nitro-salizylsaeureanilid|2',5-Dichloro-4'-nitrosalicylanilide|2',5-Dichloro-4'-nitrosalicylanilide|5-Chloro-2'-chloro-4'-nitrosalicylanilide|5-Chloro-2'-chloro-4'-nitrosalicylanilide|5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-Benzamide|5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide|5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide|5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide|5-Chlorosalicyloyl-(o-chloro-p-nitranilide)|Atenase|BAY 2353|Bayer 2353|Bayluscid|Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-|BRN 2820605|Cestocid|Cestocide|Chemagro 2353|Devermin|Devermine|EC No.: 200-056-8|EINECS 200-056-8|Fedal-Telmin|Fenasal|Helmiantin|HL 2447|Iomesan|Iomezan|Lintex|Mansonil|Mato|N-(2-Chloro-4-nitrophenyl)-5-chlorosalicylamide|N-(2'-Chlor-4'-nitrophenyl)-5-chlorsalicylamid|N-(2'-Chloro-4'-nitrophenyl)-5-chlorosalicylamide|Nasemo|Niclocide|Niclosamide|N|12687-52-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040362
ARPathway2016 ARPathway2016_1221 5-Chlorosalicylanilide 4638-48-6 DTXSID9037749 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=CC=C1 5-Chlorosalicylanilide 4638-48-6|5-Chlorosalicylanilide|3-12-00-00945|5-Chloro-2-hydroxy-N-phenylbenzamide|Benzamide, 5-chloro-2-hydroxy-N-phenyl-|BRN 2216133|Chlorosalicylanilide|EINECS 225-065-4|Salicylanilide, 5-chloro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037749
ARPathway2016 ARPathway2016_1221 5-Chlorosalicylanilide 4638-48-6 DTXSID9037749 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=CC=C1 5-Chlorosalicylanilide 4638-48-6|5-Chlorosalicylanilide|3-12-00-00945|5-Chloro-2-hydroxy-N-phenylbenzamide|Benzamide, 5-chloro-2-hydroxy-N-phenyl-|BRN 2216133|Chlorosalicylanilide|EINECS 225-065-4|Salicylanilide, 5-chloro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037749
ARPathway2016 ARPathway2016_1221 5-Chlorosalicylanilide 4638-48-6 DTXSID9037749 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Agonist Call Inactive Unitless OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=CC=C1 5-Chlorosalicylanilide 4638-48-6|5-Chlorosalicylanilide|3-12-00-00945|5-Chloro-2-hydroxy-N-phenylbenzamide|Benzamide, 5-chloro-2-hydroxy-N-phenyl-|BRN 2216133|Chlorosalicylanilide|EINECS 225-065-4|Salicylanilide, 5-chloro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037749
ARPathway2016 ARPathway2016_1221 5-Chlorosalicylanilide 4638-48-6 DTXSID9037749 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=CC=C1 5-Chlorosalicylanilide 4638-48-6|5-Chlorosalicylanilide|3-12-00-00945|5-Chloro-2-hydroxy-N-phenylbenzamide|Benzamide, 5-chloro-2-hydroxy-N-phenyl-|BRN 2216133|Chlorosalicylanilide|EINECS 225-065-4|Salicylanilide, 5-chloro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037749
ERPathway2016 ERPathway2016_115 5-Chlorosalicylanilide 4638-48-6 DTXSID9037749 ER Pathway Model, Agonist AC50 31.3016012066925 uM OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=CC=C1 5-Chlorosalicylanilide 4638-48-6|5-Chlorosalicylanilide|3-12-00-00945|5-Chloro-2-hydroxy-N-phenylbenzamide|Benzamide, 5-chloro-2-hydroxy-N-phenyl-|BRN 2216133|Chlorosalicylanilide|EINECS 225-065-4|Salicylanilide, 5-chloro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037749
ERPathway2016 ERPathway2016_115 5-Chlorosalicylanilide 4638-48-6 DTXSID9037749 ER Pathway Model, Agonist ACC 29.6323557792708 uM OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=CC=C1 5-Chlorosalicylanilide 4638-48-6|5-Chlorosalicylanilide|3-12-00-00945|5-Chloro-2-hydroxy-N-phenylbenzamide|Benzamide, 5-chloro-2-hydroxy-N-phenyl-|BRN 2216133|Chlorosalicylanilide|EINECS 225-065-4|Salicylanilide, 5-chloro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037749
ERPathway2016 ERPathway2016_115 5-Chlorosalicylanilide 4638-48-6 DTXSID9037749 ER Pathway Model, Agonist Model Score 0 Unitless OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=CC=C1 5-Chlorosalicylanilide 4638-48-6|5-Chlorosalicylanilide|3-12-00-00945|5-Chloro-2-hydroxy-N-phenylbenzamide|Benzamide, 5-chloro-2-hydroxy-N-phenyl-|BRN 2216133|Chlorosalicylanilide|EINECS 225-065-4|Salicylanilide, 5-chloro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037749
ERPathway2016 ERPathway2016_115 5-Chlorosalicylanilide 4638-48-6 DTXSID9037749 ER Pathway Model, Antagonist Model Score 0.0122 Unitless OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=CC=C1 5-Chlorosalicylanilide 4638-48-6|5-Chlorosalicylanilide|3-12-00-00945|5-Chloro-2-hydroxy-N-phenylbenzamide|Benzamide, 5-chloro-2-hydroxy-N-phenyl-|BRN 2216133|Chlorosalicylanilide|EINECS 225-065-4|Salicylanilide, 5-chloro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037749
ERPathway2016 ERPathway2016_115 5-Chlorosalicylanilide 4638-48-6 DTXSID9037749 ER Pathway Model, Agonist Call Active Unitless OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=CC=C1 5-Chlorosalicylanilide 4638-48-6|5-Chlorosalicylanilide|3-12-00-00945|5-Chloro-2-hydroxy-N-phenylbenzamide|Benzamide, 5-chloro-2-hydroxy-N-phenyl-|BRN 2216133|Chlorosalicylanilide|EINECS 225-065-4|Salicylanilide, 5-chloro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037749
ERPathway2016 ERPathway2016_115 5-Chlorosalicylanilide 4638-48-6 DTXSID9037749 ER Pathway Model, Antagonist Call Inactive Unitless OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=CC=C1 5-Chlorosalicylanilide 4638-48-6|5-Chlorosalicylanilide|3-12-00-00945|5-Chloro-2-hydroxy-N-phenylbenzamide|Benzamide, 5-chloro-2-hydroxy-N-phenyl-|BRN 2216133|Chlorosalicylanilide|EINECS 225-065-4|Salicylanilide, 5-chloro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037749
ARPathway2016 ARPathway2016_1299 5-Ethyl-5-methylhydantoin 5394-36-5 DTXSID9041368 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC1(C)NC(=O)NC1=O 5-Ethyl-5-methylhydantoin 5394-36-5|5-Ethyl-5-methylhydantoin|2,4-Imidazolidinedione, 5-ethyl-5-methyl-|5-24-05-00393|5-Methyl-5-ethylhydantoin|BRN 0081952|EINECS 226-402-8|Methylethylhydantoin|NSC 1020|UNII-9434G2C47P|16820-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041368
ARPathway2016 ARPathway2016_1299 5-Ethyl-5-methylhydantoin 5394-36-5 DTXSID9041368 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC1(C)NC(=O)NC1=O 5-Ethyl-5-methylhydantoin 5394-36-5|5-Ethyl-5-methylhydantoin|2,4-Imidazolidinedione, 5-ethyl-5-methyl-|5-24-05-00393|5-Methyl-5-ethylhydantoin|BRN 0081952|EINECS 226-402-8|Methylethylhydantoin|NSC 1020|UNII-9434G2C47P|16820-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041368
ARPathway2016 ARPathway2016_1299 5-Ethyl-5-methylhydantoin 5394-36-5 DTXSID9041368 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC1(C)NC(=O)NC1=O 5-Ethyl-5-methylhydantoin 5394-36-5|5-Ethyl-5-methylhydantoin|2,4-Imidazolidinedione, 5-ethyl-5-methyl-|5-24-05-00393|5-Methyl-5-ethylhydantoin|BRN 0081952|EINECS 226-402-8|Methylethylhydantoin|NSC 1020|UNII-9434G2C47P|16820-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041368
ARPathway2016 ARPathway2016_1299 5-Ethyl-5-methylhydantoin 5394-36-5 DTXSID9041368 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC1(C)NC(=O)NC1=O 5-Ethyl-5-methylhydantoin 5394-36-5|5-Ethyl-5-methylhydantoin|2,4-Imidazolidinedione, 5-ethyl-5-methyl-|5-24-05-00393|5-Methyl-5-ethylhydantoin|BRN 0081952|EINECS 226-402-8|Methylethylhydantoin|NSC 1020|UNII-9434G2C47P|16820-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041368
ERPathway2016 ERPathway2016_1521 5-Ethyl-5-methylhydantoin 5394-36-5 DTXSID9041368 ER Pathway Model, Agonist Model Score 0 Unitless CCC1(C)NC(=O)NC1=O 5-Ethyl-5-methylhydantoin 5394-36-5|5-Ethyl-5-methylhydantoin|2,4-Imidazolidinedione, 5-ethyl-5-methyl-|5-24-05-00393|5-Methyl-5-ethylhydantoin|BRN 0081952|EINECS 226-402-8|Methylethylhydantoin|NSC 1020|UNII-9434G2C47P|16820-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041368
ERPathway2016 ERPathway2016_1521 5-Ethyl-5-methylhydantoin 5394-36-5 DTXSID9041368 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1(C)NC(=O)NC1=O 5-Ethyl-5-methylhydantoin 5394-36-5|5-Ethyl-5-methylhydantoin|2,4-Imidazolidinedione, 5-ethyl-5-methyl-|5-24-05-00393|5-Methyl-5-ethylhydantoin|BRN 0081952|EINECS 226-402-8|Methylethylhydantoin|NSC 1020|UNII-9434G2C47P|16820-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041368
ERPathway2016 ERPathway2016_1521 5-Ethyl-5-methylhydantoin 5394-36-5 DTXSID9041368 ER Pathway Model, Agonist Call Inactive Unitless CCC1(C)NC(=O)NC1=O 5-Ethyl-5-methylhydantoin 5394-36-5|5-Ethyl-5-methylhydantoin|2,4-Imidazolidinedione, 5-ethyl-5-methyl-|5-24-05-00393|5-Methyl-5-ethylhydantoin|BRN 0081952|EINECS 226-402-8|Methylethylhydantoin|NSC 1020|UNII-9434G2C47P|16820-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041368
ERPathway2016 ERPathway2016_1521 5-Ethyl-5-methylhydantoin 5394-36-5 DTXSID9041368 ER Pathway Model, Antagonist Call Inactive Unitless CCC1(C)NC(=O)NC1=O 5-Ethyl-5-methylhydantoin 5394-36-5|5-Ethyl-5-methylhydantoin|2,4-Imidazolidinedione, 5-ethyl-5-methyl-|5-24-05-00393|5-Methyl-5-ethylhydantoin|BRN 0081952|EINECS 226-402-8|Methylethylhydantoin|NSC 1020|UNII-9434G2C47P|16820-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041368
ARPathway2016 ARPathway2016_912 5-Ethylidene-2-norbornene 16219-75-3 DTXSID1025306 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC=C1CC2CC1C=C2 5-Ethylidene-2-norbornene 16219-75-3|5-Ethylidene-2-norbornene|2-Norbornene, 5-ethylidene-|240-347-7|5-Ethylidenebicyclo(2.2.1)hept-2-ene|5-Ethylidenebicyclo[2.2.1]hept-2-ene|5-ETHYLIDINE-2-NORBORNENE|Bicyclo[2.2.1]hept-2-ene, 5-ethylidene-|BRN 2039935|EC No.: 240-347-7|EINECS 240-347-7|Ethylidenenorbornene|UNII-Q4D40UVR0R|1135584-95-0|59006-74-5|62181-74-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025306 https://doi.org/10.22427/NTP-DATA-DTXSID1025306
ARPathway2016 ARPathway2016_912 5-Ethylidene-2-norbornene 16219-75-3 DTXSID1025306 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC=C1CC2CC1C=C2 5-Ethylidene-2-norbornene 16219-75-3|5-Ethylidene-2-norbornene|2-Norbornene, 5-ethylidene-|240-347-7|5-Ethylidenebicyclo(2.2.1)hept-2-ene|5-Ethylidenebicyclo[2.2.1]hept-2-ene|5-ETHYLIDINE-2-NORBORNENE|Bicyclo[2.2.1]hept-2-ene, 5-ethylidene-|BRN 2039935|EC No.: 240-347-7|EINECS 240-347-7|Ethylidenenorbornene|UNII-Q4D40UVR0R|1135584-95-0|59006-74-5|62181-74-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025306 https://doi.org/10.22427/NTP-DATA-DTXSID1025306
ARPathway2016 ARPathway2016_912 5-Ethylidene-2-norbornene 16219-75-3 DTXSID1025306 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC=C1CC2CC1C=C2 5-Ethylidene-2-norbornene 16219-75-3|5-Ethylidene-2-norbornene|2-Norbornene, 5-ethylidene-|240-347-7|5-Ethylidenebicyclo(2.2.1)hept-2-ene|5-Ethylidenebicyclo[2.2.1]hept-2-ene|5-ETHYLIDINE-2-NORBORNENE|Bicyclo[2.2.1]hept-2-ene, 5-ethylidene-|BRN 2039935|EC No.: 240-347-7|EINECS 240-347-7|Ethylidenenorbornene|UNII-Q4D40UVR0R|1135584-95-0|59006-74-5|62181-74-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025306 https://doi.org/10.22427/NTP-DATA-DTXSID1025306
ARPathway2016 ARPathway2016_912 5-Ethylidene-2-norbornene 16219-75-3 DTXSID1025306 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC=C1CC2CC1C=C2 5-Ethylidene-2-norbornene 16219-75-3|5-Ethylidene-2-norbornene|2-Norbornene, 5-ethylidene-|240-347-7|5-Ethylidenebicyclo(2.2.1)hept-2-ene|5-Ethylidenebicyclo[2.2.1]hept-2-ene|5-ETHYLIDINE-2-NORBORNENE|Bicyclo[2.2.1]hept-2-ene, 5-ethylidene-|BRN 2039935|EC No.: 240-347-7|EINECS 240-347-7|Ethylidenenorbornene|UNII-Q4D40UVR0R|1135584-95-0|59006-74-5|62181-74-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025306 https://doi.org/10.22427/NTP-DATA-DTXSID1025306
ERPathway2016 ERPathway2016_1334 5-Ethylidene-2-norbornene 16219-75-3 DTXSID1025306 ER Pathway Model, Agonist Model Score 0 Unitless CC=C1CC2CC1C=C2 5-Ethylidene-2-norbornene 16219-75-3|5-Ethylidene-2-norbornene|2-Norbornene, 5-ethylidene-|240-347-7|5-Ethylidenebicyclo(2.2.1)hept-2-ene|5-Ethylidenebicyclo[2.2.1]hept-2-ene|5-ETHYLIDINE-2-NORBORNENE|Bicyclo[2.2.1]hept-2-ene, 5-ethylidene-|BRN 2039935|EC No.: 240-347-7|EINECS 240-347-7|Ethylidenenorbornene|UNII-Q4D40UVR0R|1135584-95-0|59006-74-5|62181-74-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025306 https://doi.org/10.22427/NTP-DATA-DTXSID1025306
ERPathway2016 ERPathway2016_1334 5-Ethylidene-2-norbornene 16219-75-3 DTXSID1025306 ER Pathway Model, Antagonist Model Score 0 Unitless CC=C1CC2CC1C=C2 5-Ethylidene-2-norbornene 16219-75-3|5-Ethylidene-2-norbornene|2-Norbornene, 5-ethylidene-|240-347-7|5-Ethylidenebicyclo(2.2.1)hept-2-ene|5-Ethylidenebicyclo[2.2.1]hept-2-ene|5-ETHYLIDINE-2-NORBORNENE|Bicyclo[2.2.1]hept-2-ene, 5-ethylidene-|BRN 2039935|EC No.: 240-347-7|EINECS 240-347-7|Ethylidenenorbornene|UNII-Q4D40UVR0R|1135584-95-0|59006-74-5|62181-74-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025306 https://doi.org/10.22427/NTP-DATA-DTXSID1025306
ERPathway2016 ERPathway2016_1334 5-Ethylidene-2-norbornene 16219-75-3 DTXSID1025306 ER Pathway Model, Agonist Call Inactive Unitless CC=C1CC2CC1C=C2 5-Ethylidene-2-norbornene 16219-75-3|5-Ethylidene-2-norbornene|2-Norbornene, 5-ethylidene-|240-347-7|5-Ethylidenebicyclo(2.2.1)hept-2-ene|5-Ethylidenebicyclo[2.2.1]hept-2-ene|5-ETHYLIDINE-2-NORBORNENE|Bicyclo[2.2.1]hept-2-ene, 5-ethylidene-|BRN 2039935|EC No.: 240-347-7|EINECS 240-347-7|Ethylidenenorbornene|UNII-Q4D40UVR0R|1135584-95-0|59006-74-5|62181-74-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025306 https://doi.org/10.22427/NTP-DATA-DTXSID1025306
ERPathway2016 ERPathway2016_1334 5-Ethylidene-2-norbornene 16219-75-3 DTXSID1025306 ER Pathway Model, Antagonist Call Inactive Unitless CC=C1CC2CC1C=C2 5-Ethylidene-2-norbornene 16219-75-3|5-Ethylidene-2-norbornene|2-Norbornene, 5-ethylidene-|240-347-7|5-Ethylidenebicyclo(2.2.1)hept-2-ene|5-Ethylidenebicyclo[2.2.1]hept-2-ene|5-ETHYLIDINE-2-NORBORNENE|Bicyclo[2.2.1]hept-2-ene, 5-ethylidene-|BRN 2039935|EC No.: 240-347-7|EINECS 240-347-7|Ethylidenenorbornene|UNII-Q4D40UVR0R|1135584-95-0|59006-74-5|62181-74-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025306 https://doi.org/10.22427/NTP-DATA-DTXSID1025306
ARPathway2016 ARPathway2016_1253 5-Fluorouracil 51-21-8 DTXSID2020634 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless FC1=CNC(=O)NC1=O 5-Fluorouracil 51-21-8|5-Fluorouracil|2,4-Dihydroxy-5-fluoropyrimidine|2,4-Dioxo-5-fluoropyrimidine|2,4(1H,3H)-Pyrimidinedione, 5-fluoro-|5-Fluor-2,4-dihydroxypyrimidin|5-Fluor-2,4-pyrimidindiol|5-Fluor-2,4(1H,3H)-pyrimidindion|5-Fluoracil|5-Fluoracyl|5-Fluoro-2,4-pyrimidinedione|5-Fluoro-2,4(1H,3H)-pyrimidinedione|5-Fluoropyrimidin-2,4-diol|5-Fluoropyrimidine-2,4-diol|5-Fluoropyrimidine-2,4-dione|5-Fluorouracil|5-FU|Adrucil|Carzonal|Cinco FU|EINECS 200-085-6|Fluoro-uracile|Fluoro-uracilo|Fluoroblastin|Fluoroplex|fluorouracil|Fluorouracil Cream|Fluorouracil, 5-|Fluorouracile|fluorouracilo|Fluorouracilum|Fluoruracil|Flurablastin|Fluracedyl|Fluracil|Fluracilum|Fluro uracil|Fluroblastin|Ftoruracil|Kecimeton|NSC 19893|NSC-19893|Phthoruracil|Phtoruracil|Queroplex|Timazin|UNII-U3P01618RT|URACIL, 5-FLUORO-|1004-03-1|4921-97-5|79108-01-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020634 https://doi.org/10.22427/NTP-DATA-DTXSID2020634
ARPathway2016 ARPathway2016_1253 5-Fluorouracil 51-21-8 DTXSID2020634 0.0 AR Pathway Model, Agonist Model Score 0 Unitless FC1=CNC(=O)NC1=O 5-Fluorouracil 51-21-8|5-Fluorouracil|2,4-Dihydroxy-5-fluoropyrimidine|2,4-Dioxo-5-fluoropyrimidine|2,4(1H,3H)-Pyrimidinedione, 5-fluoro-|5-Fluor-2,4-dihydroxypyrimidin|5-Fluor-2,4-pyrimidindiol|5-Fluor-2,4(1H,3H)-pyrimidindion|5-Fluoracil|5-Fluoracyl|5-Fluoro-2,4-pyrimidinedione|5-Fluoro-2,4(1H,3H)-pyrimidinedione|5-Fluoropyrimidin-2,4-diol|5-Fluoropyrimidine-2,4-diol|5-Fluoropyrimidine-2,4-dione|5-Fluorouracil|5-FU|Adrucil|Carzonal|Cinco FU|EINECS 200-085-6|Fluoro-uracile|Fluoro-uracilo|Fluoroblastin|Fluoroplex|fluorouracil|Fluorouracil Cream|Fluorouracil, 5-|Fluorouracile|fluorouracilo|Fluorouracilum|Fluoruracil|Flurablastin|Fluracedyl|Fluracil|Fluracilum|Fluro uracil|Fluroblastin|Ftoruracil|Kecimeton|NSC 19893|NSC-19893|Phthoruracil|Phtoruracil|Queroplex|Timazin|UNII-U3P01618RT|URACIL, 5-FLUORO-|1004-03-1|4921-97-5|79108-01-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020634 https://doi.org/10.22427/NTP-DATA-DTXSID2020634
ARPathway2016 ARPathway2016_1253 5-Fluorouracil 51-21-8 DTXSID2020634 0.0 AR Pathway Model, Agonist Call Inactive Unitless FC1=CNC(=O)NC1=O 5-Fluorouracil 51-21-8|5-Fluorouracil|2,4-Dihydroxy-5-fluoropyrimidine|2,4-Dioxo-5-fluoropyrimidine|2,4(1H,3H)-Pyrimidinedione, 5-fluoro-|5-Fluor-2,4-dihydroxypyrimidin|5-Fluor-2,4-pyrimidindiol|5-Fluor-2,4(1H,3H)-pyrimidindion|5-Fluoracil|5-Fluoracyl|5-Fluoro-2,4-pyrimidinedione|5-Fluoro-2,4(1H,3H)-pyrimidinedione|5-Fluoropyrimidin-2,4-diol|5-Fluoropyrimidine-2,4-diol|5-Fluoropyrimidine-2,4-dione|5-Fluorouracil|5-FU|Adrucil|Carzonal|Cinco FU|EINECS 200-085-6|Fluoro-uracile|Fluoro-uracilo|Fluoroblastin|Fluoroplex|fluorouracil|Fluorouracil Cream|Fluorouracil, 5-|Fluorouracile|fluorouracilo|Fluorouracilum|Fluoruracil|Flurablastin|Fluracedyl|Fluracil|Fluracilum|Fluro uracil|Fluroblastin|Ftoruracil|Kecimeton|NSC 19893|NSC-19893|Phthoruracil|Phtoruracil|Queroplex|Timazin|UNII-U3P01618RT|URACIL, 5-FLUORO-|1004-03-1|4921-97-5|79108-01-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020634 https://doi.org/10.22427/NTP-DATA-DTXSID2020634
ARPathway2016 ARPathway2016_1253 5-Fluorouracil 51-21-8 DTXSID2020634 0.0 AR Pathway Model, Antagonist Call Inactive Unitless FC1=CNC(=O)NC1=O 5-Fluorouracil 51-21-8|5-Fluorouracil|2,4-Dihydroxy-5-fluoropyrimidine|2,4-Dioxo-5-fluoropyrimidine|2,4(1H,3H)-Pyrimidinedione, 5-fluoro-|5-Fluor-2,4-dihydroxypyrimidin|5-Fluor-2,4-pyrimidindiol|5-Fluor-2,4(1H,3H)-pyrimidindion|5-Fluoracil|5-Fluoracyl|5-Fluoro-2,4-pyrimidinedione|5-Fluoro-2,4(1H,3H)-pyrimidinedione|5-Fluoropyrimidin-2,4-diol|5-Fluoropyrimidine-2,4-diol|5-Fluoropyrimidine-2,4-dione|5-Fluorouracil|5-FU|Adrucil|Carzonal|Cinco FU|EINECS 200-085-6|Fluoro-uracile|Fluoro-uracilo|Fluoroblastin|Fluoroplex|fluorouracil|Fluorouracil Cream|Fluorouracil, 5-|Fluorouracile|fluorouracilo|Fluorouracilum|Fluoruracil|Flurablastin|Fluracedyl|Fluracil|Fluracilum|Fluro uracil|Fluroblastin|Ftoruracil|Kecimeton|NSC 19893|NSC-19893|Phthoruracil|Phtoruracil|Queroplex|Timazin|UNII-U3P01618RT|URACIL, 5-FLUORO-|1004-03-1|4921-97-5|79108-01-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020634 https://doi.org/10.22427/NTP-DATA-DTXSID2020634
ERPathway2016 ERPathway2016_919 5-Fluorouracil 51-21-8 DTXSID2020634 ER Pathway Model, Agonist Model Score 0 Unitless FC1=CNC(=O)NC1=O 5-Fluorouracil 51-21-8|5-Fluorouracil|2,4-Dihydroxy-5-fluoropyrimidine|2,4-Dioxo-5-fluoropyrimidine|2,4(1H,3H)-Pyrimidinedione, 5-fluoro-|5-Fluor-2,4-dihydroxypyrimidin|5-Fluor-2,4-pyrimidindiol|5-Fluor-2,4(1H,3H)-pyrimidindion|5-Fluoracil|5-Fluoracyl|5-Fluoro-2,4-pyrimidinedione|5-Fluoro-2,4(1H,3H)-pyrimidinedione|5-Fluoropyrimidin-2,4-diol|5-Fluoropyrimidine-2,4-diol|5-Fluoropyrimidine-2,4-dione|5-Fluorouracil|5-FU|Adrucil|Carzonal|Cinco FU|EINECS 200-085-6|Fluoro-uracile|Fluoro-uracilo|Fluoroblastin|Fluoroplex|fluorouracil|Fluorouracil Cream|Fluorouracil, 5-|Fluorouracile|fluorouracilo|Fluorouracilum|Fluoruracil|Flurablastin|Fluracedyl|Fluracil|Fluracilum|Fluro uracil|Fluroblastin|Ftoruracil|Kecimeton|NSC 19893|NSC-19893|Phthoruracil|Phtoruracil|Queroplex|Timazin|UNII-U3P01618RT|URACIL, 5-FLUORO-|1004-03-1|4921-97-5|79108-01-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020634 https://doi.org/10.22427/NTP-DATA-DTXSID2020634
ERPathway2016 ERPathway2016_919 5-Fluorouracil 51-21-8 DTXSID2020634 ER Pathway Model, Antagonist Model Score 0 Unitless FC1=CNC(=O)NC1=O 5-Fluorouracil 51-21-8|5-Fluorouracil|2,4-Dihydroxy-5-fluoropyrimidine|2,4-Dioxo-5-fluoropyrimidine|2,4(1H,3H)-Pyrimidinedione, 5-fluoro-|5-Fluor-2,4-dihydroxypyrimidin|5-Fluor-2,4-pyrimidindiol|5-Fluor-2,4(1H,3H)-pyrimidindion|5-Fluoracil|5-Fluoracyl|5-Fluoro-2,4-pyrimidinedione|5-Fluoro-2,4(1H,3H)-pyrimidinedione|5-Fluoropyrimidin-2,4-diol|5-Fluoropyrimidine-2,4-diol|5-Fluoropyrimidine-2,4-dione|5-Fluorouracil|5-FU|Adrucil|Carzonal|Cinco FU|EINECS 200-085-6|Fluoro-uracile|Fluoro-uracilo|Fluoroblastin|Fluoroplex|fluorouracil|Fluorouracil Cream|Fluorouracil, 5-|Fluorouracile|fluorouracilo|Fluorouracilum|Fluoruracil|Flurablastin|Fluracedyl|Fluracil|Fluracilum|Fluro uracil|Fluroblastin|Ftoruracil|Kecimeton|NSC 19893|NSC-19893|Phthoruracil|Phtoruracil|Queroplex|Timazin|UNII-U3P01618RT|URACIL, 5-FLUORO-|1004-03-1|4921-97-5|79108-01-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020634 https://doi.org/10.22427/NTP-DATA-DTXSID2020634
ERPathway2016 ERPathway2016_919 5-Fluorouracil 51-21-8 DTXSID2020634 ER Pathway Model, Agonist Call Inactive Unitless FC1=CNC(=O)NC1=O 5-Fluorouracil 51-21-8|5-Fluorouracil|2,4-Dihydroxy-5-fluoropyrimidine|2,4-Dioxo-5-fluoropyrimidine|2,4(1H,3H)-Pyrimidinedione, 5-fluoro-|5-Fluor-2,4-dihydroxypyrimidin|5-Fluor-2,4-pyrimidindiol|5-Fluor-2,4(1H,3H)-pyrimidindion|5-Fluoracil|5-Fluoracyl|5-Fluoro-2,4-pyrimidinedione|5-Fluoro-2,4(1H,3H)-pyrimidinedione|5-Fluoropyrimidin-2,4-diol|5-Fluoropyrimidine-2,4-diol|5-Fluoropyrimidine-2,4-dione|5-Fluorouracil|5-FU|Adrucil|Carzonal|Cinco FU|EINECS 200-085-6|Fluoro-uracile|Fluoro-uracilo|Fluoroblastin|Fluoroplex|fluorouracil|Fluorouracil Cream|Fluorouracil, 5-|Fluorouracile|fluorouracilo|Fluorouracilum|Fluoruracil|Flurablastin|Fluracedyl|Fluracil|Fluracilum|Fluro uracil|Fluroblastin|Ftoruracil|Kecimeton|NSC 19893|NSC-19893|Phthoruracil|Phtoruracil|Queroplex|Timazin|UNII-U3P01618RT|URACIL, 5-FLUORO-|1004-03-1|4921-97-5|79108-01-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020634 https://doi.org/10.22427/NTP-DATA-DTXSID2020634
ERPathway2016 ERPathway2016_919 5-Fluorouracil 51-21-8 DTXSID2020634 ER Pathway Model, Antagonist Call Inactive Unitless FC1=CNC(=O)NC1=O 5-Fluorouracil 51-21-8|5-Fluorouracil|2,4-Dihydroxy-5-fluoropyrimidine|2,4-Dioxo-5-fluoropyrimidine|2,4(1H,3H)-Pyrimidinedione, 5-fluoro-|5-Fluor-2,4-dihydroxypyrimidin|5-Fluor-2,4-pyrimidindiol|5-Fluor-2,4(1H,3H)-pyrimidindion|5-Fluoracil|5-Fluoracyl|5-Fluoro-2,4-pyrimidinedione|5-Fluoro-2,4(1H,3H)-pyrimidinedione|5-Fluoropyrimidin-2,4-diol|5-Fluoropyrimidine-2,4-diol|5-Fluoropyrimidine-2,4-dione|5-Fluorouracil|5-FU|Adrucil|Carzonal|Cinco FU|EINECS 200-085-6|Fluoro-uracile|Fluoro-uracilo|Fluoroblastin|Fluoroplex|fluorouracil|Fluorouracil Cream|Fluorouracil, 5-|Fluorouracile|fluorouracilo|Fluorouracilum|Fluoruracil|Flurablastin|Fluracedyl|Fluracil|Fluracilum|Fluro uracil|Fluroblastin|Ftoruracil|Kecimeton|NSC 19893|NSC-19893|Phthoruracil|Phtoruracil|Queroplex|Timazin|UNII-U3P01618RT|URACIL, 5-FLUORO-|1004-03-1|4921-97-5|79108-01-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020634 https://doi.org/10.22427/NTP-DATA-DTXSID2020634
ARPathway2016 ARPathway2016_451 5-Heptyldihydro-2(3H)-furanone 104-67-6 DTXSID4034287 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCC1CCC(=O)O1 5-Heptyldihydro-2(3H)-furanone 104-67-6|5-Heptyldihydro-2(3H)-furanone|(+/-)-g-Undecalactone|(RS)-g-Undecalactone|1,4-Hendecanolide|1,4-Undecanolide|2(3H)-Furanone, 5-heptyldihydro-|4-Hydroxyundecanoic acid lactone|4-Undecanolide|5-Heptyl-tetrahydro-2-furanone|5-Heptyltetrahydro-2-furanone|Aldehyde C-14 peach|BRN 0081943|delta-Undecalactone|EINECS 203-225-4|FEMA No. 3091|gamma-Heptyl-gamma-butyrolactone|gamma-n-Heptylbutyrolactone|gamma-Undecalactone|gamma-Undecanolactone|gamma-Undecanolide|gamma-Undekalakton|LACTONE C-11 g-|Neutralizing agent 350120-1|NSC 406421|NSC 46118|NSC 76413|Peach aldehyde|Peach lactone|Peche Pure|Persicol|UNDECALACTONE, g-|Undecan-4-olid|Undecan-4-olide|undecan-4-olido|undecane-4-olide|Undecanoic acid, 4-hydroxy-, g-lactone|UNII-QB1T0AG2YL|g-(n-Heptyl)-g-butyrolactone|g-Heptyl-g-butyrolactone|g-Heptylbutyrolactone|g-n-Heptylbutyrolactone|g-Undecalactone|g-Undecalactone aldehyde|g-Undecanolactone|g-Undecanolide|d-Undecalactone|176201-25-5|57084-17-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034287
ARPathway2016 ARPathway2016_451 5-Heptyldihydro-2(3H)-furanone 104-67-6 DTXSID4034287 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCC1CCC(=O)O1 5-Heptyldihydro-2(3H)-furanone 104-67-6|5-Heptyldihydro-2(3H)-furanone|(+/-)-g-Undecalactone|(RS)-g-Undecalactone|1,4-Hendecanolide|1,4-Undecanolide|2(3H)-Furanone, 5-heptyldihydro-|4-Hydroxyundecanoic acid lactone|4-Undecanolide|5-Heptyl-tetrahydro-2-furanone|5-Heptyltetrahydro-2-furanone|Aldehyde C-14 peach|BRN 0081943|delta-Undecalactone|EINECS 203-225-4|FEMA No. 3091|gamma-Heptyl-gamma-butyrolactone|gamma-n-Heptylbutyrolactone|gamma-Undecalactone|gamma-Undecanolactone|gamma-Undecanolide|gamma-Undekalakton|LACTONE C-11 g-|Neutralizing agent 350120-1|NSC 406421|NSC 46118|NSC 76413|Peach aldehyde|Peach lactone|Peche Pure|Persicol|UNDECALACTONE, g-|Undecan-4-olid|Undecan-4-olide|undecan-4-olido|undecane-4-olide|Undecanoic acid, 4-hydroxy-, g-lactone|UNII-QB1T0AG2YL|g-(n-Heptyl)-g-butyrolactone|g-Heptyl-g-butyrolactone|g-Heptylbutyrolactone|g-n-Heptylbutyrolactone|g-Undecalactone|g-Undecalactone aldehyde|g-Undecanolactone|g-Undecanolide|d-Undecalactone|176201-25-5|57084-17-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034287
ARPathway2016 ARPathway2016_451 5-Heptyldihydro-2(3H)-furanone 104-67-6 DTXSID4034287 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCC1CCC(=O)O1 5-Heptyldihydro-2(3H)-furanone 104-67-6|5-Heptyldihydro-2(3H)-furanone|(+/-)-g-Undecalactone|(RS)-g-Undecalactone|1,4-Hendecanolide|1,4-Undecanolide|2(3H)-Furanone, 5-heptyldihydro-|4-Hydroxyundecanoic acid lactone|4-Undecanolide|5-Heptyl-tetrahydro-2-furanone|5-Heptyltetrahydro-2-furanone|Aldehyde C-14 peach|BRN 0081943|delta-Undecalactone|EINECS 203-225-4|FEMA No. 3091|gamma-Heptyl-gamma-butyrolactone|gamma-n-Heptylbutyrolactone|gamma-Undecalactone|gamma-Undecanolactone|gamma-Undecanolide|gamma-Undekalakton|LACTONE C-11 g-|Neutralizing agent 350120-1|NSC 406421|NSC 46118|NSC 76413|Peach aldehyde|Peach lactone|Peche Pure|Persicol|UNDECALACTONE, g-|Undecan-4-olid|Undecan-4-olide|undecan-4-olido|undecane-4-olide|Undecanoic acid, 4-hydroxy-, g-lactone|UNII-QB1T0AG2YL|g-(n-Heptyl)-g-butyrolactone|g-Heptyl-g-butyrolactone|g-Heptylbutyrolactone|g-n-Heptylbutyrolactone|g-Undecalactone|g-Undecalactone aldehyde|g-Undecanolactone|g-Undecanolide|d-Undecalactone|176201-25-5|57084-17-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034287
ARPathway2016 ARPathway2016_451 5-Heptyldihydro-2(3H)-furanone 104-67-6 DTXSID4034287 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCC1CCC(=O)O1 5-Heptyldihydro-2(3H)-furanone 104-67-6|5-Heptyldihydro-2(3H)-furanone|(+/-)-g-Undecalactone|(RS)-g-Undecalactone|1,4-Hendecanolide|1,4-Undecanolide|2(3H)-Furanone, 5-heptyldihydro-|4-Hydroxyundecanoic acid lactone|4-Undecanolide|5-Heptyl-tetrahydro-2-furanone|5-Heptyltetrahydro-2-furanone|Aldehyde C-14 peach|BRN 0081943|delta-Undecalactone|EINECS 203-225-4|FEMA No. 3091|gamma-Heptyl-gamma-butyrolactone|gamma-n-Heptylbutyrolactone|gamma-Undecalactone|gamma-Undecanolactone|gamma-Undecanolide|gamma-Undekalakton|LACTONE C-11 g-|Neutralizing agent 350120-1|NSC 406421|NSC 46118|NSC 76413|Peach aldehyde|Peach lactone|Peche Pure|Persicol|UNDECALACTONE, g-|Undecan-4-olid|Undecan-4-olide|undecan-4-olido|undecane-4-olide|Undecanoic acid, 4-hydroxy-, g-lactone|UNII-QB1T0AG2YL|g-(n-Heptyl)-g-butyrolactone|g-Heptyl-g-butyrolactone|g-Heptylbutyrolactone|g-n-Heptylbutyrolactone|g-Undecalactone|g-Undecalactone aldehyde|g-Undecanolactone|g-Undecanolide|d-Undecalactone|176201-25-5|57084-17-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034287
ERPathway2016 ERPathway2016_1079 5-Heptyldihydro-2(3H)-furanone 104-67-6 DTXSID4034287 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCC1CCC(=O)O1 5-Heptyldihydro-2(3H)-furanone 104-67-6|5-Heptyldihydro-2(3H)-furanone|(+/-)-g-Undecalactone|(RS)-g-Undecalactone|1,4-Hendecanolide|1,4-Undecanolide|2(3H)-Furanone, 5-heptyldihydro-|4-Hydroxyundecanoic acid lactone|4-Undecanolide|5-Heptyl-tetrahydro-2-furanone|5-Heptyltetrahydro-2-furanone|Aldehyde C-14 peach|BRN 0081943|delta-Undecalactone|EINECS 203-225-4|FEMA No. 3091|gamma-Heptyl-gamma-butyrolactone|gamma-n-Heptylbutyrolactone|gamma-Undecalactone|gamma-Undecanolactone|gamma-Undecanolide|gamma-Undekalakton|LACTONE C-11 g-|Neutralizing agent 350120-1|NSC 406421|NSC 46118|NSC 76413|Peach aldehyde|Peach lactone|Peche Pure|Persicol|UNDECALACTONE, g-|Undecan-4-olid|Undecan-4-olide|undecan-4-olido|undecane-4-olide|Undecanoic acid, 4-hydroxy-, g-lactone|UNII-QB1T0AG2YL|g-(n-Heptyl)-g-butyrolactone|g-Heptyl-g-butyrolactone|g-Heptylbutyrolactone|g-n-Heptylbutyrolactone|g-Undecalactone|g-Undecalactone aldehyde|g-Undecanolactone|g-Undecanolide|d-Undecalactone|176201-25-5|57084-17-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034287
ERPathway2016 ERPathway2016_1079 5-Heptyldihydro-2(3H)-furanone 104-67-6 DTXSID4034287 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCC1CCC(=O)O1 5-Heptyldihydro-2(3H)-furanone 104-67-6|5-Heptyldihydro-2(3H)-furanone|(+/-)-g-Undecalactone|(RS)-g-Undecalactone|1,4-Hendecanolide|1,4-Undecanolide|2(3H)-Furanone, 5-heptyldihydro-|4-Hydroxyundecanoic acid lactone|4-Undecanolide|5-Heptyl-tetrahydro-2-furanone|5-Heptyltetrahydro-2-furanone|Aldehyde C-14 peach|BRN 0081943|delta-Undecalactone|EINECS 203-225-4|FEMA No. 3091|gamma-Heptyl-gamma-butyrolactone|gamma-n-Heptylbutyrolactone|gamma-Undecalactone|gamma-Undecanolactone|gamma-Undecanolide|gamma-Undekalakton|LACTONE C-11 g-|Neutralizing agent 350120-1|NSC 406421|NSC 46118|NSC 76413|Peach aldehyde|Peach lactone|Peche Pure|Persicol|UNDECALACTONE, g-|Undecan-4-olid|Undecan-4-olide|undecan-4-olido|undecane-4-olide|Undecanoic acid, 4-hydroxy-, g-lactone|UNII-QB1T0AG2YL|g-(n-Heptyl)-g-butyrolactone|g-Heptyl-g-butyrolactone|g-Heptylbutyrolactone|g-n-Heptylbutyrolactone|g-Undecalactone|g-Undecalactone aldehyde|g-Undecanolactone|g-Undecanolide|d-Undecalactone|176201-25-5|57084-17-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034287
ERPathway2016 ERPathway2016_1079 5-Heptyldihydro-2(3H)-furanone 104-67-6 DTXSID4034287 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCC1CCC(=O)O1 5-Heptyldihydro-2(3H)-furanone 104-67-6|5-Heptyldihydro-2(3H)-furanone|(+/-)-g-Undecalactone|(RS)-g-Undecalactone|1,4-Hendecanolide|1,4-Undecanolide|2(3H)-Furanone, 5-heptyldihydro-|4-Hydroxyundecanoic acid lactone|4-Undecanolide|5-Heptyl-tetrahydro-2-furanone|5-Heptyltetrahydro-2-furanone|Aldehyde C-14 peach|BRN 0081943|delta-Undecalactone|EINECS 203-225-4|FEMA No. 3091|gamma-Heptyl-gamma-butyrolactone|gamma-n-Heptylbutyrolactone|gamma-Undecalactone|gamma-Undecanolactone|gamma-Undecanolide|gamma-Undekalakton|LACTONE C-11 g-|Neutralizing agent 350120-1|NSC 406421|NSC 46118|NSC 76413|Peach aldehyde|Peach lactone|Peche Pure|Persicol|UNDECALACTONE, g-|Undecan-4-olid|Undecan-4-olide|undecan-4-olido|undecane-4-olide|Undecanoic acid, 4-hydroxy-, g-lactone|UNII-QB1T0AG2YL|g-(n-Heptyl)-g-butyrolactone|g-Heptyl-g-butyrolactone|g-Heptylbutyrolactone|g-n-Heptylbutyrolactone|g-Undecalactone|g-Undecalactone aldehyde|g-Undecanolactone|g-Undecanolide|d-Undecalactone|176201-25-5|57084-17-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034287
ERPathway2016 ERPathway2016_1079 5-Heptyldihydro-2(3H)-furanone 104-67-6 DTXSID4034287 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCC1CCC(=O)O1 5-Heptyldihydro-2(3H)-furanone 104-67-6|5-Heptyldihydro-2(3H)-furanone|(+/-)-g-Undecalactone|(RS)-g-Undecalactone|1,4-Hendecanolide|1,4-Undecanolide|2(3H)-Furanone, 5-heptyldihydro-|4-Hydroxyundecanoic acid lactone|4-Undecanolide|5-Heptyl-tetrahydro-2-furanone|5-Heptyltetrahydro-2-furanone|Aldehyde C-14 peach|BRN 0081943|delta-Undecalactone|EINECS 203-225-4|FEMA No. 3091|gamma-Heptyl-gamma-butyrolactone|gamma-n-Heptylbutyrolactone|gamma-Undecalactone|gamma-Undecanolactone|gamma-Undecanolide|gamma-Undekalakton|LACTONE C-11 g-|Neutralizing agent 350120-1|NSC 406421|NSC 46118|NSC 76413|Peach aldehyde|Peach lactone|Peche Pure|Persicol|UNDECALACTONE, g-|Undecan-4-olid|Undecan-4-olide|undecan-4-olido|undecane-4-olide|Undecanoic acid, 4-hydroxy-, g-lactone|UNII-QB1T0AG2YL|g-(n-Heptyl)-g-butyrolactone|g-Heptyl-g-butyrolactone|g-Heptylbutyrolactone|g-n-Heptylbutyrolactone|g-Undecalactone|g-Undecalactone aldehyde|g-Undecanolactone|g-Undecanolide|d-Undecalactone|176201-25-5|57084-17-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034287
ARPathway2016 ARPathway2016_535 5-Methyl-2-hexanone 110-12-3 DTXSID5021914 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)CCC(C)=O 5-Methyl-2-hexanone 110-12-3|5-Methyl-2-hexanone|(CH3)2CHCH2CH2COCH3|2-hexanone-5-methyl|2-Hexanone, 5-methyl-|2-Methyl-5-hexanone|4-01-00-03329|5-Methylhexan-2-one|5-Methylhexan-2-one [UN2302] [Flammable liquid]|BRN 0506163|EINECS 203-737-8|Isoamyl methyl ketone|Isobutylacetone|Isopentyl methyl ketone|Ketone, methyl isoamyl|Methyl isoamyl ketone|Methyl isopentyl ketone|MIAK|UNII-6O4A4A5F28 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021914
ARPathway2016 ARPathway2016_535 5-Methyl-2-hexanone 110-12-3 DTXSID5021914 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)CCC(C)=O 5-Methyl-2-hexanone 110-12-3|5-Methyl-2-hexanone|(CH3)2CHCH2CH2COCH3|2-hexanone-5-methyl|2-Hexanone, 5-methyl-|2-Methyl-5-hexanone|4-01-00-03329|5-Methylhexan-2-one|5-Methylhexan-2-one [UN2302] [Flammable liquid]|BRN 0506163|EINECS 203-737-8|Isoamyl methyl ketone|Isobutylacetone|Isopentyl methyl ketone|Ketone, methyl isoamyl|Methyl isoamyl ketone|Methyl isopentyl ketone|MIAK|UNII-6O4A4A5F28 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021914
ARPathway2016 ARPathway2016_535 5-Methyl-2-hexanone 110-12-3 DTXSID5021914 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)CCC(C)=O 5-Methyl-2-hexanone 110-12-3|5-Methyl-2-hexanone|(CH3)2CHCH2CH2COCH3|2-hexanone-5-methyl|2-Hexanone, 5-methyl-|2-Methyl-5-hexanone|4-01-00-03329|5-Methylhexan-2-one|5-Methylhexan-2-one [UN2302] [Flammable liquid]|BRN 0506163|EINECS 203-737-8|Isoamyl methyl ketone|Isobutylacetone|Isopentyl methyl ketone|Ketone, methyl isoamyl|Methyl isoamyl ketone|Methyl isopentyl ketone|MIAK|UNII-6O4A4A5F28 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021914
ARPathway2016 ARPathway2016_535 5-Methyl-2-hexanone 110-12-3 DTXSID5021914 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)CCC(C)=O 5-Methyl-2-hexanone 110-12-3|5-Methyl-2-hexanone|(CH3)2CHCH2CH2COCH3|2-hexanone-5-methyl|2-Hexanone, 5-methyl-|2-Methyl-5-hexanone|4-01-00-03329|5-Methylhexan-2-one|5-Methylhexan-2-one [UN2302] [Flammable liquid]|BRN 0506163|EINECS 203-737-8|Isoamyl methyl ketone|Isobutylacetone|Isopentyl methyl ketone|Ketone, methyl isoamyl|Methyl isoamyl ketone|Methyl isopentyl ketone|MIAK|UNII-6O4A4A5F28 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021914
ERPathway2016 ERPathway2016_1040 5-Methyl-2-hexanone 110-12-3 DTXSID5021914 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)CCC(C)=O 5-Methyl-2-hexanone 110-12-3|5-Methyl-2-hexanone|(CH3)2CHCH2CH2COCH3|2-hexanone-5-methyl|2-Hexanone, 5-methyl-|2-Methyl-5-hexanone|4-01-00-03329|5-Methylhexan-2-one|5-Methylhexan-2-one [UN2302] [Flammable liquid]|BRN 0506163|EINECS 203-737-8|Isoamyl methyl ketone|Isobutylacetone|Isopentyl methyl ketone|Ketone, methyl isoamyl|Methyl isoamyl ketone|Methyl isopentyl ketone|MIAK|UNII-6O4A4A5F28 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021914
ERPathway2016 ERPathway2016_1040 5-Methyl-2-hexanone 110-12-3 DTXSID5021914 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)CCC(C)=O 5-Methyl-2-hexanone 110-12-3|5-Methyl-2-hexanone|(CH3)2CHCH2CH2COCH3|2-hexanone-5-methyl|2-Hexanone, 5-methyl-|2-Methyl-5-hexanone|4-01-00-03329|5-Methylhexan-2-one|5-Methylhexan-2-one [UN2302] [Flammable liquid]|BRN 0506163|EINECS 203-737-8|Isoamyl methyl ketone|Isobutylacetone|Isopentyl methyl ketone|Ketone, methyl isoamyl|Methyl isoamyl ketone|Methyl isopentyl ketone|MIAK|UNII-6O4A4A5F28 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021914
ERPathway2016 ERPathway2016_1040 5-Methyl-2-hexanone 110-12-3 DTXSID5021914 ER Pathway Model, Agonist Call Inactive Unitless CC(C)CCC(C)=O 5-Methyl-2-hexanone 110-12-3|5-Methyl-2-hexanone|(CH3)2CHCH2CH2COCH3|2-hexanone-5-methyl|2-Hexanone, 5-methyl-|2-Methyl-5-hexanone|4-01-00-03329|5-Methylhexan-2-one|5-Methylhexan-2-one [UN2302] [Flammable liquid]|BRN 0506163|EINECS 203-737-8|Isoamyl methyl ketone|Isobutylacetone|Isopentyl methyl ketone|Ketone, methyl isoamyl|Methyl isoamyl ketone|Methyl isopentyl ketone|MIAK|UNII-6O4A4A5F28 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021914
ERPathway2016 ERPathway2016_1040 5-Methyl-2-hexanone 110-12-3 DTXSID5021914 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)CCC(C)=O 5-Methyl-2-hexanone 110-12-3|5-Methyl-2-hexanone|(CH3)2CHCH2CH2COCH3|2-hexanone-5-methyl|2-Hexanone, 5-methyl-|2-Methyl-5-hexanone|4-01-00-03329|5-Methylhexan-2-one|5-Methylhexan-2-one [UN2302] [Flammable liquid]|BRN 0506163|EINECS 203-737-8|Isoamyl methyl ketone|Isobutylacetone|Isopentyl methyl ketone|Ketone, methyl isoamyl|Methyl isoamyl ketone|Methyl isopentyl ketone|MIAK|UNII-6O4A4A5F28 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021914
ARPathway2016 ARPathway2016_1816 5-Nitro-o-anisidine 99-59-2 DTXSID0020943 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=C(N)C=C(C=C1)[N+]([O-])=O 5-Nitro-o-anisidine 99-59-2|5-Nitro-o-anisidine|2-Amino-1-methoxy-4-nitrobenzene|2-Amino-4-nitroanisole|2-Methoxy-5-nitroaniline|2-Methoxy-5-nitrobenzenamine|3-Amino-4-methoxynitrobenzene|3-Nitro-6-methoxyaniline|5-Nitro-2-methoxyaniline|5-Nitro-o-anisidine|Aniline, 2-methoxy-5-nitro-|Azoamine Scarlet|Azoamine Scarlet K|Azogene ecarlate R|Azoic Diazo Component 13, Base|Benzenamine, 2-methoxy-5-nitro-|BRN 0879620|C.I. Azoic Diazo Component 13|CI Azoic diazo component 13|EINECS 202-770-5|Fast Scarlet R|NCI-C01934|NSC 5510|o-Anisidine nitrate|52756-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020943 https://doi.org/10.22427/NTP-DATA-DTXSID0020943
ARPathway2016 ARPathway2016_1816 5-Nitro-o-anisidine 99-59-2 DTXSID0020943 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=C(N)C=C(C=C1)[N+]([O-])=O 5-Nitro-o-anisidine 99-59-2|5-Nitro-o-anisidine|2-Amino-1-methoxy-4-nitrobenzene|2-Amino-4-nitroanisole|2-Methoxy-5-nitroaniline|2-Methoxy-5-nitrobenzenamine|3-Amino-4-methoxynitrobenzene|3-Nitro-6-methoxyaniline|5-Nitro-2-methoxyaniline|5-Nitro-o-anisidine|Aniline, 2-methoxy-5-nitro-|Azoamine Scarlet|Azoamine Scarlet K|Azogene ecarlate R|Azoic Diazo Component 13, Base|Benzenamine, 2-methoxy-5-nitro-|BRN 0879620|C.I. Azoic Diazo Component 13|CI Azoic diazo component 13|EINECS 202-770-5|Fast Scarlet R|NCI-C01934|NSC 5510|o-Anisidine nitrate|52756-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020943 https://doi.org/10.22427/NTP-DATA-DTXSID0020943
ARPathway2016 ARPathway2016_1816 5-Nitro-o-anisidine 99-59-2 DTXSID0020943 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=C(N)C=C(C=C1)[N+]([O-])=O 5-Nitro-o-anisidine 99-59-2|5-Nitro-o-anisidine|2-Amino-1-methoxy-4-nitrobenzene|2-Amino-4-nitroanisole|2-Methoxy-5-nitroaniline|2-Methoxy-5-nitrobenzenamine|3-Amino-4-methoxynitrobenzene|3-Nitro-6-methoxyaniline|5-Nitro-2-methoxyaniline|5-Nitro-o-anisidine|Aniline, 2-methoxy-5-nitro-|Azoamine Scarlet|Azoamine Scarlet K|Azogene ecarlate R|Azoic Diazo Component 13, Base|Benzenamine, 2-methoxy-5-nitro-|BRN 0879620|C.I. Azoic Diazo Component 13|CI Azoic diazo component 13|EINECS 202-770-5|Fast Scarlet R|NCI-C01934|NSC 5510|o-Anisidine nitrate|52756-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020943 https://doi.org/10.22427/NTP-DATA-DTXSID0020943
ARPathway2016 ARPathway2016_1816 5-Nitro-o-anisidine 99-59-2 DTXSID0020943 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=C(N)C=C(C=C1)[N+]([O-])=O 5-Nitro-o-anisidine 99-59-2|5-Nitro-o-anisidine|2-Amino-1-methoxy-4-nitrobenzene|2-Amino-4-nitroanisole|2-Methoxy-5-nitroaniline|2-Methoxy-5-nitrobenzenamine|3-Amino-4-methoxynitrobenzene|3-Nitro-6-methoxyaniline|5-Nitro-2-methoxyaniline|5-Nitro-o-anisidine|Aniline, 2-methoxy-5-nitro-|Azoamine Scarlet|Azoamine Scarlet K|Azogene ecarlate R|Azoic Diazo Component 13, Base|Benzenamine, 2-methoxy-5-nitro-|BRN 0879620|C.I. Azoic Diazo Component 13|CI Azoic diazo component 13|EINECS 202-770-5|Fast Scarlet R|NCI-C01934|NSC 5510|o-Anisidine nitrate|52756-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020943 https://doi.org/10.22427/NTP-DATA-DTXSID0020943
ERPathway2016 ERPathway2016_1796 5-Nitro-o-anisidine 99-59-2 DTXSID0020943 ER Pathway Model, Agonist Model Score 0 Unitless COC1=C(N)C=C(C=C1)[N+]([O-])=O 5-Nitro-o-anisidine 99-59-2|5-Nitro-o-anisidine|2-Amino-1-methoxy-4-nitrobenzene|2-Amino-4-nitroanisole|2-Methoxy-5-nitroaniline|2-Methoxy-5-nitrobenzenamine|3-Amino-4-methoxynitrobenzene|3-Nitro-6-methoxyaniline|5-Nitro-2-methoxyaniline|5-Nitro-o-anisidine|Aniline, 2-methoxy-5-nitro-|Azoamine Scarlet|Azoamine Scarlet K|Azogene ecarlate R|Azoic Diazo Component 13, Base|Benzenamine, 2-methoxy-5-nitro-|BRN 0879620|C.I. Azoic Diazo Component 13|CI Azoic diazo component 13|EINECS 202-770-5|Fast Scarlet R|NCI-C01934|NSC 5510|o-Anisidine nitrate|52756-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020943 https://doi.org/10.22427/NTP-DATA-DTXSID0020943
ERPathway2016 ERPathway2016_1796 5-Nitro-o-anisidine 99-59-2 DTXSID0020943 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=C(N)C=C(C=C1)[N+]([O-])=O 5-Nitro-o-anisidine 99-59-2|5-Nitro-o-anisidine|2-Amino-1-methoxy-4-nitrobenzene|2-Amino-4-nitroanisole|2-Methoxy-5-nitroaniline|2-Methoxy-5-nitrobenzenamine|3-Amino-4-methoxynitrobenzene|3-Nitro-6-methoxyaniline|5-Nitro-2-methoxyaniline|5-Nitro-o-anisidine|Aniline, 2-methoxy-5-nitro-|Azoamine Scarlet|Azoamine Scarlet K|Azogene ecarlate R|Azoic Diazo Component 13, Base|Benzenamine, 2-methoxy-5-nitro-|BRN 0879620|C.I. Azoic Diazo Component 13|CI Azoic diazo component 13|EINECS 202-770-5|Fast Scarlet R|NCI-C01934|NSC 5510|o-Anisidine nitrate|52756-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020943 https://doi.org/10.22427/NTP-DATA-DTXSID0020943
ERPathway2016 ERPathway2016_1796 5-Nitro-o-anisidine 99-59-2 DTXSID0020943 ER Pathway Model, Agonist Call Inactive Unitless COC1=C(N)C=C(C=C1)[N+]([O-])=O 5-Nitro-o-anisidine 99-59-2|5-Nitro-o-anisidine|2-Amino-1-methoxy-4-nitrobenzene|2-Amino-4-nitroanisole|2-Methoxy-5-nitroaniline|2-Methoxy-5-nitrobenzenamine|3-Amino-4-methoxynitrobenzene|3-Nitro-6-methoxyaniline|5-Nitro-2-methoxyaniline|5-Nitro-o-anisidine|Aniline, 2-methoxy-5-nitro-|Azoamine Scarlet|Azoamine Scarlet K|Azogene ecarlate R|Azoic Diazo Component 13, Base|Benzenamine, 2-methoxy-5-nitro-|BRN 0879620|C.I. Azoic Diazo Component 13|CI Azoic diazo component 13|EINECS 202-770-5|Fast Scarlet R|NCI-C01934|NSC 5510|o-Anisidine nitrate|52756-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020943 https://doi.org/10.22427/NTP-DATA-DTXSID0020943
ERPathway2016 ERPathway2016_1796 5-Nitro-o-anisidine 99-59-2 DTXSID0020943 ER Pathway Model, Antagonist Call Inactive Unitless COC1=C(N)C=C(C=C1)[N+]([O-])=O 5-Nitro-o-anisidine 99-59-2|5-Nitro-o-anisidine|2-Amino-1-methoxy-4-nitrobenzene|2-Amino-4-nitroanisole|2-Methoxy-5-nitroaniline|2-Methoxy-5-nitrobenzenamine|3-Amino-4-methoxynitrobenzene|3-Nitro-6-methoxyaniline|5-Nitro-2-methoxyaniline|5-Nitro-o-anisidine|Aniline, 2-methoxy-5-nitro-|Azoamine Scarlet|Azoamine Scarlet K|Azogene ecarlate R|Azoic Diazo Component 13, Base|Benzenamine, 2-methoxy-5-nitro-|BRN 0879620|C.I. Azoic Diazo Component 13|CI Azoic diazo component 13|EINECS 202-770-5|Fast Scarlet R|NCI-C01934|NSC 5510|o-Anisidine nitrate|52756-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020943 https://doi.org/10.22427/NTP-DATA-DTXSID0020943
ARPathway2016 ARPathway2016_233 6-Hydroxy-2-naphthyl disulfide 6088-51-3 DTXSID7025429 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 33.55602117 uM OC1=CC2=CC=C(SSC3=CC4=CC=C(O)C=C4C=C3)C=C2C=C1 6-Hydroxy-2-naphthyl disulfide 6088-51-3|6-Hydroxy-2-naphthyl disulfide|2,2'-Dihydroxy-6,6'-dinaphthyl disulfide|2,2'-Dihydroxy-6,6'-naphthyl disulfide|6-Hydroxy-2-naphthyldisulfide|6,6'-Dithiodi-(2-naphthol)|DDD|EINECS 228-025-4|NSC 87629|UNII-Y4YW3C2D2S https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025429 https://doi.org/10.22427/NTP-DATA-DTXSID7025429
ARPathway2016 ARPathway2016_233 6-Hydroxy-2-naphthyl disulfide 6088-51-3 DTXSID7025429 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 26.58268848 uM OC1=CC2=CC=C(SSC3=CC4=CC=C(O)C=C4C=C3)C=C2C=C1 6-Hydroxy-2-naphthyl disulfide 6088-51-3|6-Hydroxy-2-naphthyl disulfide|2,2'-Dihydroxy-6,6'-dinaphthyl disulfide|2,2'-Dihydroxy-6,6'-naphthyl disulfide|6-Hydroxy-2-naphthyldisulfide|6,6'-Dithiodi-(2-naphthol)|DDD|EINECS 228-025-4|NSC 87629|UNII-Y4YW3C2D2S https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025429 https://doi.org/10.22427/NTP-DATA-DTXSID7025429
ARPathway2016 ARPathway2016_233 6-Hydroxy-2-naphthyl disulfide 6088-51-3 DTXSID7025429 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.178 Unitless OC1=CC2=CC=C(SSC3=CC4=CC=C(O)C=C4C=C3)C=C2C=C1 6-Hydroxy-2-naphthyl disulfide 6088-51-3|6-Hydroxy-2-naphthyl disulfide|2,2'-Dihydroxy-6,6'-dinaphthyl disulfide|2,2'-Dihydroxy-6,6'-naphthyl disulfide|6-Hydroxy-2-naphthyldisulfide|6,6'-Dithiodi-(2-naphthol)|DDD|EINECS 228-025-4|NSC 87629|UNII-Y4YW3C2D2S https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025429 https://doi.org/10.22427/NTP-DATA-DTXSID7025429
ARPathway2016 ARPathway2016_233 6-Hydroxy-2-naphthyl disulfide 6088-51-3 DTXSID7025429 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC2=CC=C(SSC3=CC4=CC=C(O)C=C4C=C3)C=C2C=C1 6-Hydroxy-2-naphthyl disulfide 6088-51-3|6-Hydroxy-2-naphthyl disulfide|2,2'-Dihydroxy-6,6'-dinaphthyl disulfide|2,2'-Dihydroxy-6,6'-naphthyl disulfide|6-Hydroxy-2-naphthyldisulfide|6,6'-Dithiodi-(2-naphthol)|DDD|EINECS 228-025-4|NSC 87629|UNII-Y4YW3C2D2S https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025429 https://doi.org/10.22427/NTP-DATA-DTXSID7025429
ARPathway2016 ARPathway2016_233 6-Hydroxy-2-naphthyl disulfide 6088-51-3 DTXSID7025429 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=CC2=CC=C(SSC3=CC4=CC=C(O)C=C4C=C3)C=C2C=C1 6-Hydroxy-2-naphthyl disulfide 6088-51-3|6-Hydroxy-2-naphthyl disulfide|2,2'-Dihydroxy-6,6'-dinaphthyl disulfide|2,2'-Dihydroxy-6,6'-naphthyl disulfide|6-Hydroxy-2-naphthyldisulfide|6,6'-Dithiodi-(2-naphthol)|DDD|EINECS 228-025-4|NSC 87629|UNII-Y4YW3C2D2S https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025429 https://doi.org/10.22427/NTP-DATA-DTXSID7025429
ARPathway2016 ARPathway2016_233 6-Hydroxy-2-naphthyl disulfide 6088-51-3 DTXSID7025429 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC2=CC=C(SSC3=CC4=CC=C(O)C=C4C=C3)C=C2C=C1 6-Hydroxy-2-naphthyl disulfide 6088-51-3|6-Hydroxy-2-naphthyl disulfide|2,2'-Dihydroxy-6,6'-dinaphthyl disulfide|2,2'-Dihydroxy-6,6'-naphthyl disulfide|6-Hydroxy-2-naphthyldisulfide|6,6'-Dithiodi-(2-naphthol)|DDD|EINECS 228-025-4|NSC 87629|UNII-Y4YW3C2D2S https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025429 https://doi.org/10.22427/NTP-DATA-DTXSID7025429
ERPathway2016 ERPathway2016_191 6-Hydroxy-2-naphthyl disulfide 6088-51-3 DTXSID7025429 Agonist ER Pathway Model, Antagonist AC50 5.40422410957287 uM OC1=CC2=CC=C(SSC3=CC4=CC=C(O)C=C4C=C3)C=C2C=C1 6-Hydroxy-2-naphthyl disulfide 6088-51-3|6-Hydroxy-2-naphthyl disulfide|2,2'-Dihydroxy-6,6'-dinaphthyl disulfide|2,2'-Dihydroxy-6,6'-naphthyl disulfide|6-Hydroxy-2-naphthyldisulfide|6,6'-Dithiodi-(2-naphthol)|DDD|EINECS 228-025-4|NSC 87629|UNII-Y4YW3C2D2S https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025429 https://doi.org/10.22427/NTP-DATA-DTXSID7025429
ERPathway2016 ERPathway2016_191 6-Hydroxy-2-naphthyl disulfide 6088-51-3 DTXSID7025429 Agonist ER Pathway Model, Antagonist ACC 4.63828212392102 uM OC1=CC2=CC=C(SSC3=CC4=CC=C(O)C=C4C=C3)C=C2C=C1 6-Hydroxy-2-naphthyl disulfide 6088-51-3|6-Hydroxy-2-naphthyl disulfide|2,2'-Dihydroxy-6,6'-dinaphthyl disulfide|2,2'-Dihydroxy-6,6'-naphthyl disulfide|6-Hydroxy-2-naphthyldisulfide|6,6'-Dithiodi-(2-naphthol)|DDD|EINECS 228-025-4|NSC 87629|UNII-Y4YW3C2D2S https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025429 https://doi.org/10.22427/NTP-DATA-DTXSID7025429
ERPathway2016 ERPathway2016_191 6-Hydroxy-2-naphthyl disulfide 6088-51-3 DTXSID7025429 Agonist ER Pathway Model, Agonist Model Score 0.25 Unitless OC1=CC2=CC=C(SSC3=CC4=CC=C(O)C=C4C=C3)C=C2C=C1 6-Hydroxy-2-naphthyl disulfide 6088-51-3|6-Hydroxy-2-naphthyl disulfide|2,2'-Dihydroxy-6,6'-dinaphthyl disulfide|2,2'-Dihydroxy-6,6'-naphthyl disulfide|6-Hydroxy-2-naphthyldisulfide|6,6'-Dithiodi-(2-naphthol)|DDD|EINECS 228-025-4|NSC 87629|UNII-Y4YW3C2D2S https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025429 https://doi.org/10.22427/NTP-DATA-DTXSID7025429
ERPathway2016 ERPathway2016_191 6-Hydroxy-2-naphthyl disulfide 6088-51-3 DTXSID7025429 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC2=CC=C(SSC3=CC4=CC=C(O)C=C4C=C3)C=C2C=C1 6-Hydroxy-2-naphthyl disulfide 6088-51-3|6-Hydroxy-2-naphthyl disulfide|2,2'-Dihydroxy-6,6'-dinaphthyl disulfide|2,2'-Dihydroxy-6,6'-naphthyl disulfide|6-Hydroxy-2-naphthyldisulfide|6,6'-Dithiodi-(2-naphthol)|DDD|EINECS 228-025-4|NSC 87629|UNII-Y4YW3C2D2S https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025429 https://doi.org/10.22427/NTP-DATA-DTXSID7025429
ERPathway2016 ERPathway2016_191 6-Hydroxy-2-naphthyl disulfide 6088-51-3 DTXSID7025429 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC1=CC2=CC=C(SSC3=CC4=CC=C(O)C=C4C=C3)C=C2C=C1 6-Hydroxy-2-naphthyl disulfide 6088-51-3|6-Hydroxy-2-naphthyl disulfide|2,2'-Dihydroxy-6,6'-dinaphthyl disulfide|2,2'-Dihydroxy-6,6'-naphthyl disulfide|6-Hydroxy-2-naphthyldisulfide|6,6'-Dithiodi-(2-naphthol)|DDD|EINECS 228-025-4|NSC 87629|UNII-Y4YW3C2D2S https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025429 https://doi.org/10.22427/NTP-DATA-DTXSID7025429
ERPathway2016 ERPathway2016_191 6-Hydroxy-2-naphthyl disulfide 6088-51-3 DTXSID7025429 Agonist ER Pathway Model, Antagonist Call Active Unitless OC1=CC2=CC=C(SSC3=CC4=CC=C(O)C=C4C=C3)C=C2C=C1 6-Hydroxy-2-naphthyl disulfide 6088-51-3|6-Hydroxy-2-naphthyl disulfide|2,2'-Dihydroxy-6,6'-dinaphthyl disulfide|2,2'-Dihydroxy-6,6'-naphthyl disulfide|6-Hydroxy-2-naphthyldisulfide|6,6'-Dithiodi-(2-naphthol)|DDD|EINECS 228-025-4|NSC 87629|UNII-Y4YW3C2D2S https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025429 https://doi.org/10.22427/NTP-DATA-DTXSID7025429
ARPathway2016 ARPathway2016_1331 6-Methyl-2-thiouracil 56-04-2 DTXSID2020890 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(=O)NC(=S)N1 6-Methyl-2-thiouracil 56-04-2|6-Methyl-2-thiouracil|2-Mercapto-4-hydroxy-6-methylpyrimidine|2-Mercapto-4-methyl-6-hydroxypyrimidine|2-Mercapto-6-methyl-4-pyrimidinol|2-Mercapto-6-methylpyrimid-4-one|2-Mercapto-6-methylpyrimidin-4-one|2-Mercapto-6-methylpyrimidyl-4-one|2-Thio-4-oxo-6-methyl-1,3-pyrimidine|2-Thio-6-methyl-1,3-pyrimidin-4-one|2-Thio-6-methyluracil|2,3-Dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone|4 (1H)-pirimidinona, 2,3-dihidro-6-metil-2-tioxo -|4-Hydroxy-2-mercapto-6-methylpyrimidine|4-Hydroxy-6-methyl-2-mercaptopyrimidine|4-Methyl-2-thiouracil|4(1H)-Pyrimidinone, 2,3-dihydro-6-methyl-2-thioxo-|6-Methyl-2-mercaptouracil|6-Methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one|6-Methyl-2-thio-2,4-(1H,3H)-pyrimidinedione|6-Methyl-2-thio-2,4-(1H3H)-pyrimidinedione|6-Methyl-2-thiouracyl|6-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine|6-Methyl-4-oxo-2-thioxo1,2,3,4-tetrahydropyrimidine|6-Methylthiouracil|6-Metil-tiouracile|6-Thio-4-methyluracil|Alkiron|Antibason|Basecil|Basethyrin|EINECS 200-252-3|Metacil|Methacil|Methiacil|Methicil|Methiocil|Met|1123-10-0|31909-18-9|91795-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020890 https://doi.org/10.22427/NTP-DATA-DTXSID2020890
ARPathway2016 ARPathway2016_1331 6-Methyl-2-thiouracil 56-04-2 DTXSID2020890 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(=O)NC(=S)N1 6-Methyl-2-thiouracil 56-04-2|6-Methyl-2-thiouracil|2-Mercapto-4-hydroxy-6-methylpyrimidine|2-Mercapto-4-methyl-6-hydroxypyrimidine|2-Mercapto-6-methyl-4-pyrimidinol|2-Mercapto-6-methylpyrimid-4-one|2-Mercapto-6-methylpyrimidin-4-one|2-Mercapto-6-methylpyrimidyl-4-one|2-Thio-4-oxo-6-methyl-1,3-pyrimidine|2-Thio-6-methyl-1,3-pyrimidin-4-one|2-Thio-6-methyluracil|2,3-Dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone|4 (1H)-pirimidinona, 2,3-dihidro-6-metil-2-tioxo -|4-Hydroxy-2-mercapto-6-methylpyrimidine|4-Hydroxy-6-methyl-2-mercaptopyrimidine|4-Methyl-2-thiouracil|4(1H)-Pyrimidinone, 2,3-dihydro-6-methyl-2-thioxo-|6-Methyl-2-mercaptouracil|6-Methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one|6-Methyl-2-thio-2,4-(1H,3H)-pyrimidinedione|6-Methyl-2-thio-2,4-(1H3H)-pyrimidinedione|6-Methyl-2-thiouracyl|6-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine|6-Methyl-4-oxo-2-thioxo1,2,3,4-tetrahydropyrimidine|6-Methylthiouracil|6-Metil-tiouracile|6-Thio-4-methyluracil|Alkiron|Antibason|Basecil|Basethyrin|EINECS 200-252-3|Metacil|Methacil|Methiacil|Methicil|Methiocil|Met|1123-10-0|31909-18-9|91795-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020890 https://doi.org/10.22427/NTP-DATA-DTXSID2020890
ARPathway2016 ARPathway2016_1331 6-Methyl-2-thiouracil 56-04-2 DTXSID2020890 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(=O)NC(=S)N1 6-Methyl-2-thiouracil 56-04-2|6-Methyl-2-thiouracil|2-Mercapto-4-hydroxy-6-methylpyrimidine|2-Mercapto-4-methyl-6-hydroxypyrimidine|2-Mercapto-6-methyl-4-pyrimidinol|2-Mercapto-6-methylpyrimid-4-one|2-Mercapto-6-methylpyrimidin-4-one|2-Mercapto-6-methylpyrimidyl-4-one|2-Thio-4-oxo-6-methyl-1,3-pyrimidine|2-Thio-6-methyl-1,3-pyrimidin-4-one|2-Thio-6-methyluracil|2,3-Dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone|4 (1H)-pirimidinona, 2,3-dihidro-6-metil-2-tioxo -|4-Hydroxy-2-mercapto-6-methylpyrimidine|4-Hydroxy-6-methyl-2-mercaptopyrimidine|4-Methyl-2-thiouracil|4(1H)-Pyrimidinone, 2,3-dihydro-6-methyl-2-thioxo-|6-Methyl-2-mercaptouracil|6-Methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one|6-Methyl-2-thio-2,4-(1H,3H)-pyrimidinedione|6-Methyl-2-thio-2,4-(1H3H)-pyrimidinedione|6-Methyl-2-thiouracyl|6-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine|6-Methyl-4-oxo-2-thioxo1,2,3,4-tetrahydropyrimidine|6-Methylthiouracil|6-Metil-tiouracile|6-Thio-4-methyluracil|Alkiron|Antibason|Basecil|Basethyrin|EINECS 200-252-3|Metacil|Methacil|Methiacil|Methicil|Methiocil|Met|1123-10-0|31909-18-9|91795-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020890 https://doi.org/10.22427/NTP-DATA-DTXSID2020890
ARPathway2016 ARPathway2016_1331 6-Methyl-2-thiouracil 56-04-2 DTXSID2020890 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(=O)NC(=S)N1 6-Methyl-2-thiouracil 56-04-2|6-Methyl-2-thiouracil|2-Mercapto-4-hydroxy-6-methylpyrimidine|2-Mercapto-4-methyl-6-hydroxypyrimidine|2-Mercapto-6-methyl-4-pyrimidinol|2-Mercapto-6-methylpyrimid-4-one|2-Mercapto-6-methylpyrimidin-4-one|2-Mercapto-6-methylpyrimidyl-4-one|2-Thio-4-oxo-6-methyl-1,3-pyrimidine|2-Thio-6-methyl-1,3-pyrimidin-4-one|2-Thio-6-methyluracil|2,3-Dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone|4 (1H)-pirimidinona, 2,3-dihidro-6-metil-2-tioxo -|4-Hydroxy-2-mercapto-6-methylpyrimidine|4-Hydroxy-6-methyl-2-mercaptopyrimidine|4-Methyl-2-thiouracil|4(1H)-Pyrimidinone, 2,3-dihydro-6-methyl-2-thioxo-|6-Methyl-2-mercaptouracil|6-Methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one|6-Methyl-2-thio-2,4-(1H,3H)-pyrimidinedione|6-Methyl-2-thio-2,4-(1H3H)-pyrimidinedione|6-Methyl-2-thiouracyl|6-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine|6-Methyl-4-oxo-2-thioxo1,2,3,4-tetrahydropyrimidine|6-Methylthiouracil|6-Metil-tiouracile|6-Thio-4-methyluracil|Alkiron|Antibason|Basecil|Basethyrin|EINECS 200-252-3|Metacil|Methacil|Methiacil|Methicil|Methiocil|Met|1123-10-0|31909-18-9|91795-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020890 https://doi.org/10.22427/NTP-DATA-DTXSID2020890
ERPathway2016 ERPathway2016_1541 6-Methyl-2-thiouracil 56-04-2 DTXSID2020890 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(=O)NC(=S)N1 6-Methyl-2-thiouracil 56-04-2|6-Methyl-2-thiouracil|2-Mercapto-4-hydroxy-6-methylpyrimidine|2-Mercapto-4-methyl-6-hydroxypyrimidine|2-Mercapto-6-methyl-4-pyrimidinol|2-Mercapto-6-methylpyrimid-4-one|2-Mercapto-6-methylpyrimidin-4-one|2-Mercapto-6-methylpyrimidyl-4-one|2-Thio-4-oxo-6-methyl-1,3-pyrimidine|2-Thio-6-methyl-1,3-pyrimidin-4-one|2-Thio-6-methyluracil|2,3-Dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone|4 (1H)-pirimidinona, 2,3-dihidro-6-metil-2-tioxo -|4-Hydroxy-2-mercapto-6-methylpyrimidine|4-Hydroxy-6-methyl-2-mercaptopyrimidine|4-Methyl-2-thiouracil|4(1H)-Pyrimidinone, 2,3-dihydro-6-methyl-2-thioxo-|6-Methyl-2-mercaptouracil|6-Methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one|6-Methyl-2-thio-2,4-(1H,3H)-pyrimidinedione|6-Methyl-2-thio-2,4-(1H3H)-pyrimidinedione|6-Methyl-2-thiouracyl|6-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine|6-Methyl-4-oxo-2-thioxo1,2,3,4-tetrahydropyrimidine|6-Methylthiouracil|6-Metil-tiouracile|6-Thio-4-methyluracil|Alkiron|Antibason|Basecil|Basethyrin|EINECS 200-252-3|Metacil|Methacil|Methiacil|Methicil|Methiocil|Met|1123-10-0|31909-18-9|91795-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020890 https://doi.org/10.22427/NTP-DATA-DTXSID2020890
ERPathway2016 ERPathway2016_1541 6-Methyl-2-thiouracil 56-04-2 DTXSID2020890 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(=O)NC(=S)N1 6-Methyl-2-thiouracil 56-04-2|6-Methyl-2-thiouracil|2-Mercapto-4-hydroxy-6-methylpyrimidine|2-Mercapto-4-methyl-6-hydroxypyrimidine|2-Mercapto-6-methyl-4-pyrimidinol|2-Mercapto-6-methylpyrimid-4-one|2-Mercapto-6-methylpyrimidin-4-one|2-Mercapto-6-methylpyrimidyl-4-one|2-Thio-4-oxo-6-methyl-1,3-pyrimidine|2-Thio-6-methyl-1,3-pyrimidin-4-one|2-Thio-6-methyluracil|2,3-Dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone|4 (1H)-pirimidinona, 2,3-dihidro-6-metil-2-tioxo -|4-Hydroxy-2-mercapto-6-methylpyrimidine|4-Hydroxy-6-methyl-2-mercaptopyrimidine|4-Methyl-2-thiouracil|4(1H)-Pyrimidinone, 2,3-dihydro-6-methyl-2-thioxo-|6-Methyl-2-mercaptouracil|6-Methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one|6-Methyl-2-thio-2,4-(1H,3H)-pyrimidinedione|6-Methyl-2-thio-2,4-(1H3H)-pyrimidinedione|6-Methyl-2-thiouracyl|6-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine|6-Methyl-4-oxo-2-thioxo1,2,3,4-tetrahydropyrimidine|6-Methylthiouracil|6-Metil-tiouracile|6-Thio-4-methyluracil|Alkiron|Antibason|Basecil|Basethyrin|EINECS 200-252-3|Metacil|Methacil|Methiacil|Methicil|Methiocil|Met|1123-10-0|31909-18-9|91795-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020890 https://doi.org/10.22427/NTP-DATA-DTXSID2020890
ERPathway2016 ERPathway2016_1541 6-Methyl-2-thiouracil 56-04-2 DTXSID2020890 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(=O)NC(=S)N1 6-Methyl-2-thiouracil 56-04-2|6-Methyl-2-thiouracil|2-Mercapto-4-hydroxy-6-methylpyrimidine|2-Mercapto-4-methyl-6-hydroxypyrimidine|2-Mercapto-6-methyl-4-pyrimidinol|2-Mercapto-6-methylpyrimid-4-one|2-Mercapto-6-methylpyrimidin-4-one|2-Mercapto-6-methylpyrimidyl-4-one|2-Thio-4-oxo-6-methyl-1,3-pyrimidine|2-Thio-6-methyl-1,3-pyrimidin-4-one|2-Thio-6-methyluracil|2,3-Dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone|4 (1H)-pirimidinona, 2,3-dihidro-6-metil-2-tioxo -|4-Hydroxy-2-mercapto-6-methylpyrimidine|4-Hydroxy-6-methyl-2-mercaptopyrimidine|4-Methyl-2-thiouracil|4(1H)-Pyrimidinone, 2,3-dihydro-6-methyl-2-thioxo-|6-Methyl-2-mercaptouracil|6-Methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one|6-Methyl-2-thio-2,4-(1H,3H)-pyrimidinedione|6-Methyl-2-thio-2,4-(1H3H)-pyrimidinedione|6-Methyl-2-thiouracyl|6-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine|6-Methyl-4-oxo-2-thioxo1,2,3,4-tetrahydropyrimidine|6-Methylthiouracil|6-Metil-tiouracile|6-Thio-4-methyluracil|Alkiron|Antibason|Basecil|Basethyrin|EINECS 200-252-3|Metacil|Methacil|Methiacil|Methicil|Methiocil|Met|1123-10-0|31909-18-9|91795-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020890 https://doi.org/10.22427/NTP-DATA-DTXSID2020890
ERPathway2016 ERPathway2016_1541 6-Methyl-2-thiouracil 56-04-2 DTXSID2020890 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(=O)NC(=S)N1 6-Methyl-2-thiouracil 56-04-2|6-Methyl-2-thiouracil|2-Mercapto-4-hydroxy-6-methylpyrimidine|2-Mercapto-4-methyl-6-hydroxypyrimidine|2-Mercapto-6-methyl-4-pyrimidinol|2-Mercapto-6-methylpyrimid-4-one|2-Mercapto-6-methylpyrimidin-4-one|2-Mercapto-6-methylpyrimidyl-4-one|2-Thio-4-oxo-6-methyl-1,3-pyrimidine|2-Thio-6-methyl-1,3-pyrimidin-4-one|2-Thio-6-methyluracil|2,3-Dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone|4 (1H)-pirimidinona, 2,3-dihidro-6-metil-2-tioxo -|4-Hydroxy-2-mercapto-6-methylpyrimidine|4-Hydroxy-6-methyl-2-mercaptopyrimidine|4-Methyl-2-thiouracil|4(1H)-Pyrimidinone, 2,3-dihydro-6-methyl-2-thioxo-|6-Methyl-2-mercaptouracil|6-Methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one|6-Methyl-2-thio-2,4-(1H,3H)-pyrimidinedione|6-Methyl-2-thio-2,4-(1H3H)-pyrimidinedione|6-Methyl-2-thiouracyl|6-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine|6-Methyl-4-oxo-2-thioxo1,2,3,4-tetrahydropyrimidine|6-Methylthiouracil|6-Metil-tiouracile|6-Thio-4-methyluracil|Alkiron|Antibason|Basecil|Basethyrin|EINECS 200-252-3|Metacil|Methacil|Methiacil|Methicil|Methiocil|Met|1123-10-0|31909-18-9|91795-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020890 https://doi.org/10.22427/NTP-DATA-DTXSID2020890
ARPathway2016 ARPathway2016_1712 6-Methylquinoline 91-62-3 DTXSID3020887 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC2=CC=CN=C2C=C1 6-Methylquinoline 91-62-3|6-Methylquinoline|5-20-07-00400|BRN 0110336|EINECS 202-084-6|FEMA No. 2744|NSC 4152|p-Toluquinoline|Quinoline, 6-methyl-|Tolliquinoline, p-|UNII-K14453I13N https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020887 https://doi.org/10.22427/NTP-DATA-DTXSID3020887
ARPathway2016 ARPathway2016_1712 6-Methylquinoline 91-62-3 DTXSID3020887 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC2=CC=CN=C2C=C1 6-Methylquinoline 91-62-3|6-Methylquinoline|5-20-07-00400|BRN 0110336|EINECS 202-084-6|FEMA No. 2744|NSC 4152|p-Toluquinoline|Quinoline, 6-methyl-|Tolliquinoline, p-|UNII-K14453I13N https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020887 https://doi.org/10.22427/NTP-DATA-DTXSID3020887
ARPathway2016 ARPathway2016_1712 6-Methylquinoline 91-62-3 DTXSID3020887 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC2=CC=CN=C2C=C1 6-Methylquinoline 91-62-3|6-Methylquinoline|5-20-07-00400|BRN 0110336|EINECS 202-084-6|FEMA No. 2744|NSC 4152|p-Toluquinoline|Quinoline, 6-methyl-|Tolliquinoline, p-|UNII-K14453I13N https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020887 https://doi.org/10.22427/NTP-DATA-DTXSID3020887
ARPathway2016 ARPathway2016_1712 6-Methylquinoline 91-62-3 DTXSID3020887 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC2=CC=CN=C2C=C1 6-Methylquinoline 91-62-3|6-Methylquinoline|5-20-07-00400|BRN 0110336|EINECS 202-084-6|FEMA No. 2744|NSC 4152|p-Toluquinoline|Quinoline, 6-methyl-|Tolliquinoline, p-|UNII-K14453I13N https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020887 https://doi.org/10.22427/NTP-DATA-DTXSID3020887
ERPathway2016 ERPathway2016_1741 6-Methylquinoline 91-62-3 DTXSID3020887 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC2=CC=CN=C2C=C1 6-Methylquinoline 91-62-3|6-Methylquinoline|5-20-07-00400|BRN 0110336|EINECS 202-084-6|FEMA No. 2744|NSC 4152|p-Toluquinoline|Quinoline, 6-methyl-|Tolliquinoline, p-|UNII-K14453I13N https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020887 https://doi.org/10.22427/NTP-DATA-DTXSID3020887
ERPathway2016 ERPathway2016_1741 6-Methylquinoline 91-62-3 DTXSID3020887 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC2=CC=CN=C2C=C1 6-Methylquinoline 91-62-3|6-Methylquinoline|5-20-07-00400|BRN 0110336|EINECS 202-084-6|FEMA No. 2744|NSC 4152|p-Toluquinoline|Quinoline, 6-methyl-|Tolliquinoline, p-|UNII-K14453I13N https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020887 https://doi.org/10.22427/NTP-DATA-DTXSID3020887
ERPathway2016 ERPathway2016_1741 6-Methylquinoline 91-62-3 DTXSID3020887 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC2=CC=CN=C2C=C1 6-Methylquinoline 91-62-3|6-Methylquinoline|5-20-07-00400|BRN 0110336|EINECS 202-084-6|FEMA No. 2744|NSC 4152|p-Toluquinoline|Quinoline, 6-methyl-|Tolliquinoline, p-|UNII-K14453I13N https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020887 https://doi.org/10.22427/NTP-DATA-DTXSID3020887
ERPathway2016 ERPathway2016_1741 6-Methylquinoline 91-62-3 DTXSID3020887 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC2=CC=CN=C2C=C1 6-Methylquinoline 91-62-3|6-Methylquinoline|5-20-07-00400|BRN 0110336|EINECS 202-084-6|FEMA No. 2744|NSC 4152|p-Toluquinoline|Quinoline, 6-methyl-|Tolliquinoline, p-|UNII-K14453I13N https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020887 https://doi.org/10.22427/NTP-DATA-DTXSID3020887
ARPathway2016 ARPathway2016_1263 6-Propyl-2-thiouracil 51-52-5 DTXSID5021209 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC1=CC(=O)NC(=S)N1 6-Propyl-2-thiouracil 51-52-5|6-Propyl-2-thiouracil|2-Mercapto-4-hydroxy-6-n-propylpyrimidine|2-Mercapto-4-hydroxy-6-propylpyrimidine|2-Mercapto-6-propyl-4-pyrimidone|2-Mercapto-6-propylpyrimid-4-one|2-Mercapto-6-propylpyrimidin-4-ol|2-Thio-4-oxo-6-propyl-1,3-pyrimidine|2-Thio-6-propyl-1,3-pyrimidin-4-one|2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone|4-Propyl-2-thiouracil|4(1H)-Pyrimidinone, 2,3-dihydro-6-propyl-2-thioxo-|6-n-Propyl-2-thiouracil|6-n-Propylthiouracil|6-Propil-tiouracile|6-Propyl-2 thiouracil (PTU)|6-Propyl-2-thio-2,4(1H,3H)pyrimidinedione|6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one|6-Propylthiouracil|6-Thio-4-propyluracil|EINECS 200-103-2|NSC 6498|NSC 70461|Procasil|Propacil|Propilthiouracil|Propiltiouracile|propiltiouracilo|Propycil|Propyl-Thiorist|Propyl-thiorit|Propyl-Thyracil|Propylthiorit|propylthiouracil|Propylthiouracile|Propylthiouracilum|Propythiouracil|Prothiucil|Prothiurone|Prothycil|Prothyran|Protiural|PrTU|Thiuragyl|Thyreostat II|UNII-721M9407IY|URACIL, 4-PROPYL-2-THIO-|Uracil, 6-propyl-2-thio-|500-50-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021209 https://doi.org/10.22427/NTP-DATA-DTXSID5021209
ARPathway2016 ARPathway2016_1263 6-Propyl-2-thiouracil 51-52-5 DTXSID5021209 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCC1=CC(=O)NC(=S)N1 6-Propyl-2-thiouracil 51-52-5|6-Propyl-2-thiouracil|2-Mercapto-4-hydroxy-6-n-propylpyrimidine|2-Mercapto-4-hydroxy-6-propylpyrimidine|2-Mercapto-6-propyl-4-pyrimidone|2-Mercapto-6-propylpyrimid-4-one|2-Mercapto-6-propylpyrimidin-4-ol|2-Thio-4-oxo-6-propyl-1,3-pyrimidine|2-Thio-6-propyl-1,3-pyrimidin-4-one|2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone|4-Propyl-2-thiouracil|4(1H)-Pyrimidinone, 2,3-dihydro-6-propyl-2-thioxo-|6-n-Propyl-2-thiouracil|6-n-Propylthiouracil|6-Propil-tiouracile|6-Propyl-2 thiouracil (PTU)|6-Propyl-2-thio-2,4(1H,3H)pyrimidinedione|6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one|6-Propylthiouracil|6-Thio-4-propyluracil|EINECS 200-103-2|NSC 6498|NSC 70461|Procasil|Propacil|Propilthiouracil|Propiltiouracile|propiltiouracilo|Propycil|Propyl-Thiorist|Propyl-thiorit|Propyl-Thyracil|Propylthiorit|propylthiouracil|Propylthiouracile|Propylthiouracilum|Propythiouracil|Prothiucil|Prothiurone|Prothycil|Prothyran|Protiural|PrTU|Thiuragyl|Thyreostat II|UNII-721M9407IY|URACIL, 4-PROPYL-2-THIO-|Uracil, 6-propyl-2-thio-|500-50-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021209 https://doi.org/10.22427/NTP-DATA-DTXSID5021209
ARPathway2016 ARPathway2016_1263 6-Propyl-2-thiouracil 51-52-5 DTXSID5021209 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCC1=CC(=O)NC(=S)N1 6-Propyl-2-thiouracil 51-52-5|6-Propyl-2-thiouracil|2-Mercapto-4-hydroxy-6-n-propylpyrimidine|2-Mercapto-4-hydroxy-6-propylpyrimidine|2-Mercapto-6-propyl-4-pyrimidone|2-Mercapto-6-propylpyrimid-4-one|2-Mercapto-6-propylpyrimidin-4-ol|2-Thio-4-oxo-6-propyl-1,3-pyrimidine|2-Thio-6-propyl-1,3-pyrimidin-4-one|2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone|4-Propyl-2-thiouracil|4(1H)-Pyrimidinone, 2,3-dihydro-6-propyl-2-thioxo-|6-n-Propyl-2-thiouracil|6-n-Propylthiouracil|6-Propil-tiouracile|6-Propyl-2 thiouracil (PTU)|6-Propyl-2-thio-2,4(1H,3H)pyrimidinedione|6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one|6-Propylthiouracil|6-Thio-4-propyluracil|EINECS 200-103-2|NSC 6498|NSC 70461|Procasil|Propacil|Propilthiouracil|Propiltiouracile|propiltiouracilo|Propycil|Propyl-Thiorist|Propyl-thiorit|Propyl-Thyracil|Propylthiorit|propylthiouracil|Propylthiouracile|Propylthiouracilum|Propythiouracil|Prothiucil|Prothiurone|Prothycil|Prothyran|Protiural|PrTU|Thiuragyl|Thyreostat II|UNII-721M9407IY|URACIL, 4-PROPYL-2-THIO-|Uracil, 6-propyl-2-thio-|500-50-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021209 https://doi.org/10.22427/NTP-DATA-DTXSID5021209
ARPathway2016 ARPathway2016_1263 6-Propyl-2-thiouracil 51-52-5 DTXSID5021209 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCC1=CC(=O)NC(=S)N1 6-Propyl-2-thiouracil 51-52-5|6-Propyl-2-thiouracil|2-Mercapto-4-hydroxy-6-n-propylpyrimidine|2-Mercapto-4-hydroxy-6-propylpyrimidine|2-Mercapto-6-propyl-4-pyrimidone|2-Mercapto-6-propylpyrimid-4-one|2-Mercapto-6-propylpyrimidin-4-ol|2-Thio-4-oxo-6-propyl-1,3-pyrimidine|2-Thio-6-propyl-1,3-pyrimidin-4-one|2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone|4-Propyl-2-thiouracil|4(1H)-Pyrimidinone, 2,3-dihydro-6-propyl-2-thioxo-|6-n-Propyl-2-thiouracil|6-n-Propylthiouracil|6-Propil-tiouracile|6-Propyl-2 thiouracil (PTU)|6-Propyl-2-thio-2,4(1H,3H)pyrimidinedione|6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one|6-Propylthiouracil|6-Thio-4-propyluracil|EINECS 200-103-2|NSC 6498|NSC 70461|Procasil|Propacil|Propilthiouracil|Propiltiouracile|propiltiouracilo|Propycil|Propyl-Thiorist|Propyl-thiorit|Propyl-Thyracil|Propylthiorit|propylthiouracil|Propylthiouracile|Propylthiouracilum|Propythiouracil|Prothiucil|Prothiurone|Prothycil|Prothyran|Protiural|PrTU|Thiuragyl|Thyreostat II|UNII-721M9407IY|URACIL, 4-PROPYL-2-THIO-|Uracil, 6-propyl-2-thio-|500-50-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021209 https://doi.org/10.22427/NTP-DATA-DTXSID5021209
ERPathway2016 ERPathway2016_216 6-Propyl-2-thiouracil 51-52-5 DTXSID5021209 Agonist ER Pathway Model, Antagonist AC50 7.65705330648127 uM CCCC1=CC(=O)NC(=S)N1 6-Propyl-2-thiouracil 51-52-5|6-Propyl-2-thiouracil|2-Mercapto-4-hydroxy-6-n-propylpyrimidine|2-Mercapto-4-hydroxy-6-propylpyrimidine|2-Mercapto-6-propyl-4-pyrimidone|2-Mercapto-6-propylpyrimid-4-one|2-Mercapto-6-propylpyrimidin-4-ol|2-Thio-4-oxo-6-propyl-1,3-pyrimidine|2-Thio-6-propyl-1,3-pyrimidin-4-one|2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone|4-Propyl-2-thiouracil|4(1H)-Pyrimidinone, 2,3-dihydro-6-propyl-2-thioxo-|6-n-Propyl-2-thiouracil|6-n-Propylthiouracil|6-Propil-tiouracile|6-Propyl-2 thiouracil (PTU)|6-Propyl-2-thio-2,4(1H,3H)pyrimidinedione|6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one|6-Propylthiouracil|6-Thio-4-propyluracil|EINECS 200-103-2|NSC 6498|NSC 70461|Procasil|Propacil|Propilthiouracil|Propiltiouracile|propiltiouracilo|Propycil|Propyl-Thiorist|Propyl-thiorit|Propyl-Thyracil|Propylthiorit|propylthiouracil|Propylthiouracile|Propylthiouracilum|Propythiouracil|Prothiucil|Prothiurone|Prothycil|Prothyran|Protiural|PrTU|Thiuragyl|Thyreostat II|UNII-721M9407IY|URACIL, 4-PROPYL-2-THIO-|Uracil, 6-propyl-2-thio-|500-50-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021209 https://doi.org/10.22427/NTP-DATA-DTXSID5021209
ERPathway2016 ERPathway2016_216 6-Propyl-2-thiouracil 51-52-5 DTXSID5021209 Agonist ER Pathway Model, Antagonist ACC 6.74696817610308 uM CCCC1=CC(=O)NC(=S)N1 6-Propyl-2-thiouracil 51-52-5|6-Propyl-2-thiouracil|2-Mercapto-4-hydroxy-6-n-propylpyrimidine|2-Mercapto-4-hydroxy-6-propylpyrimidine|2-Mercapto-6-propyl-4-pyrimidone|2-Mercapto-6-propylpyrimid-4-one|2-Mercapto-6-propylpyrimidin-4-ol|2-Thio-4-oxo-6-propyl-1,3-pyrimidine|2-Thio-6-propyl-1,3-pyrimidin-4-one|2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone|4-Propyl-2-thiouracil|4(1H)-Pyrimidinone, 2,3-dihydro-6-propyl-2-thioxo-|6-n-Propyl-2-thiouracil|6-n-Propylthiouracil|6-Propil-tiouracile|6-Propyl-2 thiouracil (PTU)|6-Propyl-2-thio-2,4(1H,3H)pyrimidinedione|6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one|6-Propylthiouracil|6-Thio-4-propyluracil|EINECS 200-103-2|NSC 6498|NSC 70461|Procasil|Propacil|Propilthiouracil|Propiltiouracile|propiltiouracilo|Propycil|Propyl-Thiorist|Propyl-thiorit|Propyl-Thyracil|Propylthiorit|propylthiouracil|Propylthiouracile|Propylthiouracilum|Propythiouracil|Prothiucil|Prothiurone|Prothycil|Prothyran|Protiural|PrTU|Thiuragyl|Thyreostat II|UNII-721M9407IY|URACIL, 4-PROPYL-2-THIO-|Uracil, 6-propyl-2-thio-|500-50-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021209 https://doi.org/10.22427/NTP-DATA-DTXSID5021209
ERPathway2016 ERPathway2016_216 6-Propyl-2-thiouracil 51-52-5 DTXSID5021209 Agonist ER Pathway Model, Agonist Model Score 0.144 Unitless CCCC1=CC(=O)NC(=S)N1 6-Propyl-2-thiouracil 51-52-5|6-Propyl-2-thiouracil|2-Mercapto-4-hydroxy-6-n-propylpyrimidine|2-Mercapto-4-hydroxy-6-propylpyrimidine|2-Mercapto-6-propyl-4-pyrimidone|2-Mercapto-6-propylpyrimid-4-one|2-Mercapto-6-propylpyrimidin-4-ol|2-Thio-4-oxo-6-propyl-1,3-pyrimidine|2-Thio-6-propyl-1,3-pyrimidin-4-one|2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone|4-Propyl-2-thiouracil|4(1H)-Pyrimidinone, 2,3-dihydro-6-propyl-2-thioxo-|6-n-Propyl-2-thiouracil|6-n-Propylthiouracil|6-Propil-tiouracile|6-Propyl-2 thiouracil (PTU)|6-Propyl-2-thio-2,4(1H,3H)pyrimidinedione|6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one|6-Propylthiouracil|6-Thio-4-propyluracil|EINECS 200-103-2|NSC 6498|NSC 70461|Procasil|Propacil|Propilthiouracil|Propiltiouracile|propiltiouracilo|Propycil|Propyl-Thiorist|Propyl-thiorit|Propyl-Thyracil|Propylthiorit|propylthiouracil|Propylthiouracile|Propylthiouracilum|Propythiouracil|Prothiucil|Prothiurone|Prothycil|Prothyran|Protiural|PrTU|Thiuragyl|Thyreostat II|UNII-721M9407IY|URACIL, 4-PROPYL-2-THIO-|Uracil, 6-propyl-2-thio-|500-50-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021209 https://doi.org/10.22427/NTP-DATA-DTXSID5021209
ERPathway2016 ERPathway2016_216 6-Propyl-2-thiouracil 51-52-5 DTXSID5021209 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCCC1=CC(=O)NC(=S)N1 6-Propyl-2-thiouracil 51-52-5|6-Propyl-2-thiouracil|2-Mercapto-4-hydroxy-6-n-propylpyrimidine|2-Mercapto-4-hydroxy-6-propylpyrimidine|2-Mercapto-6-propyl-4-pyrimidone|2-Mercapto-6-propylpyrimid-4-one|2-Mercapto-6-propylpyrimidin-4-ol|2-Thio-4-oxo-6-propyl-1,3-pyrimidine|2-Thio-6-propyl-1,3-pyrimidin-4-one|2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone|4-Propyl-2-thiouracil|4(1H)-Pyrimidinone, 2,3-dihydro-6-propyl-2-thioxo-|6-n-Propyl-2-thiouracil|6-n-Propylthiouracil|6-Propil-tiouracile|6-Propyl-2 thiouracil (PTU)|6-Propyl-2-thio-2,4(1H,3H)pyrimidinedione|6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one|6-Propylthiouracil|6-Thio-4-propyluracil|EINECS 200-103-2|NSC 6498|NSC 70461|Procasil|Propacil|Propilthiouracil|Propiltiouracile|propiltiouracilo|Propycil|Propyl-Thiorist|Propyl-thiorit|Propyl-Thyracil|Propylthiorit|propylthiouracil|Propylthiouracile|Propylthiouracilum|Propythiouracil|Prothiucil|Prothiurone|Prothycil|Prothyran|Protiural|PrTU|Thiuragyl|Thyreostat II|UNII-721M9407IY|URACIL, 4-PROPYL-2-THIO-|Uracil, 6-propyl-2-thio-|500-50-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021209 https://doi.org/10.22427/NTP-DATA-DTXSID5021209
ERPathway2016 ERPathway2016_216 6-Propyl-2-thiouracil 51-52-5 DTXSID5021209 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCCC1=CC(=O)NC(=S)N1 6-Propyl-2-thiouracil 51-52-5|6-Propyl-2-thiouracil|2-Mercapto-4-hydroxy-6-n-propylpyrimidine|2-Mercapto-4-hydroxy-6-propylpyrimidine|2-Mercapto-6-propyl-4-pyrimidone|2-Mercapto-6-propylpyrimid-4-one|2-Mercapto-6-propylpyrimidin-4-ol|2-Thio-4-oxo-6-propyl-1,3-pyrimidine|2-Thio-6-propyl-1,3-pyrimidin-4-one|2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone|4-Propyl-2-thiouracil|4(1H)-Pyrimidinone, 2,3-dihydro-6-propyl-2-thioxo-|6-n-Propyl-2-thiouracil|6-n-Propylthiouracil|6-Propil-tiouracile|6-Propyl-2 thiouracil (PTU)|6-Propyl-2-thio-2,4(1H,3H)pyrimidinedione|6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one|6-Propylthiouracil|6-Thio-4-propyluracil|EINECS 200-103-2|NSC 6498|NSC 70461|Procasil|Propacil|Propilthiouracil|Propiltiouracile|propiltiouracilo|Propycil|Propyl-Thiorist|Propyl-thiorit|Propyl-Thyracil|Propylthiorit|propylthiouracil|Propylthiouracile|Propylthiouracilum|Propythiouracil|Prothiucil|Prothiurone|Prothycil|Prothyran|Protiural|PrTU|Thiuragyl|Thyreostat II|UNII-721M9407IY|URACIL, 4-PROPYL-2-THIO-|Uracil, 6-propyl-2-thio-|500-50-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021209 https://doi.org/10.22427/NTP-DATA-DTXSID5021209
ERPathway2016 ERPathway2016_216 6-Propyl-2-thiouracil 51-52-5 DTXSID5021209 Agonist ER Pathway Model, Antagonist Call Active Unitless CCCC1=CC(=O)NC(=S)N1 6-Propyl-2-thiouracil 51-52-5|6-Propyl-2-thiouracil|2-Mercapto-4-hydroxy-6-n-propylpyrimidine|2-Mercapto-4-hydroxy-6-propylpyrimidine|2-Mercapto-6-propyl-4-pyrimidone|2-Mercapto-6-propylpyrimid-4-one|2-Mercapto-6-propylpyrimidin-4-ol|2-Thio-4-oxo-6-propyl-1,3-pyrimidine|2-Thio-6-propyl-1,3-pyrimidin-4-one|2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone|4-Propyl-2-thiouracil|4(1H)-Pyrimidinone, 2,3-dihydro-6-propyl-2-thioxo-|6-n-Propyl-2-thiouracil|6-n-Propylthiouracil|6-Propil-tiouracile|6-Propyl-2 thiouracil (PTU)|6-Propyl-2-thio-2,4(1H,3H)pyrimidinedione|6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one|6-Propylthiouracil|6-Thio-4-propyluracil|EINECS 200-103-2|NSC 6498|NSC 70461|Procasil|Propacil|Propilthiouracil|Propiltiouracile|propiltiouracilo|Propycil|Propyl-Thiorist|Propyl-thiorit|Propyl-Thyracil|Propylthiorit|propylthiouracil|Propylthiouracile|Propylthiouracilum|Propythiouracil|Prothiucil|Prothiurone|Prothycil|Prothyran|Protiural|PrTU|Thiuragyl|Thyreostat II|UNII-721M9407IY|URACIL, 4-PROPYL-2-THIO-|Uracil, 6-propyl-2-thio-|500-50-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021209 https://doi.org/10.22427/NTP-DATA-DTXSID5021209
ARPathway2016 ARPathway2016_892 6-Thioguanine 154-42-7 DTXSID6023652 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=NC2=C(NC=N2)C(=S)N1 6-Thioguanine 154-42-7|6-Thioguanine|2-Amino 6MP|2-Amino-1,7-dihydro-6H-purin-6-thion|2-Amino-1,7-dihydro-6H-purine-6-thione|2-amino-1,9-dihydropurine-6-thione|2-Amino-6-mercaptopurine|2-Amino-6-merkaptopurin|2-Amino-6-MP|2-Amino-6-purinethiol|2-Amino-9H-purine-6-thiol|2-Amino-9H-purine-6(1H)-thione|2-Aminopurin-6-thiol|2-Aminopurine-6-thiol|2-Aminopurine-6(1H)-thione|2-Thioguanine|6-Mercapto-2-aminopurine|6-Mercaptoguanine|6-TG|6H-Purine-6-thione, 2-amino-1,7-dihydro-|6H-Purine-6-thione, 2-amino-1,9-dihydro-|EINECS 205-827-2|Guanine, thio-|NSC 752|NSC 76504|NSC-752|Purine-6-thiol, 2-amino-|Purine-6(1H)-thione, 2-amino-|Purine-6(1H)-thione, 2,3-dihydro-2-imino-|Tabloid|TG|ThG|Thioguanine|Tioguanin|tioguanina|tioguanine|Tioguaninum|UNII-WIX31ZPX66|Wellcome U3B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023652 https://doi.org/10.22427/NTP-DATA-DTXSID6023652
ARPathway2016 ARPathway2016_892 6-Thioguanine 154-42-7 DTXSID6023652 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless NC1=NC2=C(NC=N2)C(=S)N1 6-Thioguanine 154-42-7|6-Thioguanine|2-Amino 6MP|2-Amino-1,7-dihydro-6H-purin-6-thion|2-Amino-1,7-dihydro-6H-purine-6-thione|2-amino-1,9-dihydropurine-6-thione|2-Amino-6-mercaptopurine|2-Amino-6-merkaptopurin|2-Amino-6-MP|2-Amino-6-purinethiol|2-Amino-9H-purine-6-thiol|2-Amino-9H-purine-6(1H)-thione|2-Aminopurin-6-thiol|2-Aminopurine-6-thiol|2-Aminopurine-6(1H)-thione|2-Thioguanine|6-Mercapto-2-aminopurine|6-Mercaptoguanine|6-TG|6H-Purine-6-thione, 2-amino-1,7-dihydro-|6H-Purine-6-thione, 2-amino-1,9-dihydro-|EINECS 205-827-2|Guanine, thio-|NSC 752|NSC 76504|NSC-752|Purine-6-thiol, 2-amino-|Purine-6(1H)-thione, 2-amino-|Purine-6(1H)-thione, 2,3-dihydro-2-imino-|Tabloid|TG|ThG|Thioguanine|Tioguanin|tioguanina|tioguanine|Tioguaninum|UNII-WIX31ZPX66|Wellcome U3B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023652 https://doi.org/10.22427/NTP-DATA-DTXSID6023652
ARPathway2016 ARPathway2016_892 6-Thioguanine 154-42-7 DTXSID6023652 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless NC1=NC2=C(NC=N2)C(=S)N1 6-Thioguanine 154-42-7|6-Thioguanine|2-Amino 6MP|2-Amino-1,7-dihydro-6H-purin-6-thion|2-Amino-1,7-dihydro-6H-purine-6-thione|2-amino-1,9-dihydropurine-6-thione|2-Amino-6-mercaptopurine|2-Amino-6-merkaptopurin|2-Amino-6-MP|2-Amino-6-purinethiol|2-Amino-9H-purine-6-thiol|2-Amino-9H-purine-6(1H)-thione|2-Aminopurin-6-thiol|2-Aminopurine-6-thiol|2-Aminopurine-6(1H)-thione|2-Thioguanine|6-Mercapto-2-aminopurine|6-Mercaptoguanine|6-TG|6H-Purine-6-thione, 2-amino-1,7-dihydro-|6H-Purine-6-thione, 2-amino-1,9-dihydro-|EINECS 205-827-2|Guanine, thio-|NSC 752|NSC 76504|NSC-752|Purine-6-thiol, 2-amino-|Purine-6(1H)-thione, 2-amino-|Purine-6(1H)-thione, 2,3-dihydro-2-imino-|Tabloid|TG|ThG|Thioguanine|Tioguanin|tioguanina|tioguanine|Tioguaninum|UNII-WIX31ZPX66|Wellcome U3B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023652 https://doi.org/10.22427/NTP-DATA-DTXSID6023652
ARPathway2016 ARPathway2016_892 6-Thioguanine 154-42-7 DTXSID6023652 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless NC1=NC2=C(NC=N2)C(=S)N1 6-Thioguanine 154-42-7|6-Thioguanine|2-Amino 6MP|2-Amino-1,7-dihydro-6H-purin-6-thion|2-Amino-1,7-dihydro-6H-purine-6-thione|2-amino-1,9-dihydropurine-6-thione|2-Amino-6-mercaptopurine|2-Amino-6-merkaptopurin|2-Amino-6-MP|2-Amino-6-purinethiol|2-Amino-9H-purine-6-thiol|2-Amino-9H-purine-6(1H)-thione|2-Aminopurin-6-thiol|2-Aminopurine-6-thiol|2-Aminopurine-6(1H)-thione|2-Thioguanine|6-Mercapto-2-aminopurine|6-Mercaptoguanine|6-TG|6H-Purine-6-thione, 2-amino-1,7-dihydro-|6H-Purine-6-thione, 2-amino-1,9-dihydro-|EINECS 205-827-2|Guanine, thio-|NSC 752|NSC 76504|NSC-752|Purine-6-thiol, 2-amino-|Purine-6(1H)-thione, 2-amino-|Purine-6(1H)-thione, 2,3-dihydro-2-imino-|Tabloid|TG|ThG|Thioguanine|Tioguanin|tioguanina|tioguanine|Tioguaninum|UNII-WIX31ZPX66|Wellcome U3B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023652 https://doi.org/10.22427/NTP-DATA-DTXSID6023652
ERPathway2016 ERPathway2016_611 6-Thioguanine 154-42-7 DTXSID6023652 A17 ER Pathway Model, Agonist Model Score 0 Unitless NC1=NC2=C(NC=N2)C(=S)N1 6-Thioguanine 154-42-7|6-Thioguanine|2-Amino 6MP|2-Amino-1,7-dihydro-6H-purin-6-thion|2-Amino-1,7-dihydro-6H-purine-6-thione|2-amino-1,9-dihydropurine-6-thione|2-Amino-6-mercaptopurine|2-Amino-6-merkaptopurin|2-Amino-6-MP|2-Amino-6-purinethiol|2-Amino-9H-purine-6-thiol|2-Amino-9H-purine-6(1H)-thione|2-Aminopurin-6-thiol|2-Aminopurine-6-thiol|2-Aminopurine-6(1H)-thione|2-Thioguanine|6-Mercapto-2-aminopurine|6-Mercaptoguanine|6-TG|6H-Purine-6-thione, 2-amino-1,7-dihydro-|6H-Purine-6-thione, 2-amino-1,9-dihydro-|EINECS 205-827-2|Guanine, thio-|NSC 752|NSC 76504|NSC-752|Purine-6-thiol, 2-amino-|Purine-6(1H)-thione, 2-amino-|Purine-6(1H)-thione, 2,3-dihydro-2-imino-|Tabloid|TG|ThG|Thioguanine|Tioguanin|tioguanina|tioguanine|Tioguaninum|UNII-WIX31ZPX66|Wellcome U3B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023652 https://doi.org/10.22427/NTP-DATA-DTXSID6023652
ERPathway2016 ERPathway2016_611 6-Thioguanine 154-42-7 DTXSID6023652 A17 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=NC2=C(NC=N2)C(=S)N1 6-Thioguanine 154-42-7|6-Thioguanine|2-Amino 6MP|2-Amino-1,7-dihydro-6H-purin-6-thion|2-Amino-1,7-dihydro-6H-purine-6-thione|2-amino-1,9-dihydropurine-6-thione|2-Amino-6-mercaptopurine|2-Amino-6-merkaptopurin|2-Amino-6-MP|2-Amino-6-purinethiol|2-Amino-9H-purine-6-thiol|2-Amino-9H-purine-6(1H)-thione|2-Aminopurin-6-thiol|2-Aminopurine-6-thiol|2-Aminopurine-6(1H)-thione|2-Thioguanine|6-Mercapto-2-aminopurine|6-Mercaptoguanine|6-TG|6H-Purine-6-thione, 2-amino-1,7-dihydro-|6H-Purine-6-thione, 2-amino-1,9-dihydro-|EINECS 205-827-2|Guanine, thio-|NSC 752|NSC 76504|NSC-752|Purine-6-thiol, 2-amino-|Purine-6(1H)-thione, 2-amino-|Purine-6(1H)-thione, 2,3-dihydro-2-imino-|Tabloid|TG|ThG|Thioguanine|Tioguanin|tioguanina|tioguanine|Tioguaninum|UNII-WIX31ZPX66|Wellcome U3B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023652 https://doi.org/10.22427/NTP-DATA-DTXSID6023652
ERPathway2016 ERPathway2016_611 6-Thioguanine 154-42-7 DTXSID6023652 A17 ER Pathway Model, Agonist Call Inactive Unitless NC1=NC2=C(NC=N2)C(=S)N1 6-Thioguanine 154-42-7|6-Thioguanine|2-Amino 6MP|2-Amino-1,7-dihydro-6H-purin-6-thion|2-Amino-1,7-dihydro-6H-purine-6-thione|2-amino-1,9-dihydropurine-6-thione|2-Amino-6-mercaptopurine|2-Amino-6-merkaptopurin|2-Amino-6-MP|2-Amino-6-purinethiol|2-Amino-9H-purine-6-thiol|2-Amino-9H-purine-6(1H)-thione|2-Aminopurin-6-thiol|2-Aminopurine-6-thiol|2-Aminopurine-6(1H)-thione|2-Thioguanine|6-Mercapto-2-aminopurine|6-Mercaptoguanine|6-TG|6H-Purine-6-thione, 2-amino-1,7-dihydro-|6H-Purine-6-thione, 2-amino-1,9-dihydro-|EINECS 205-827-2|Guanine, thio-|NSC 752|NSC 76504|NSC-752|Purine-6-thiol, 2-amino-|Purine-6(1H)-thione, 2-amino-|Purine-6(1H)-thione, 2,3-dihydro-2-imino-|Tabloid|TG|ThG|Thioguanine|Tioguanin|tioguanina|tioguanine|Tioguaninum|UNII-WIX31ZPX66|Wellcome U3B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023652 https://doi.org/10.22427/NTP-DATA-DTXSID6023652
ERPathway2016 ERPathway2016_611 6-Thioguanine 154-42-7 DTXSID6023652 A17 ER Pathway Model, Antagonist Call Inactive Unitless NC1=NC2=C(NC=N2)C(=S)N1 6-Thioguanine 154-42-7|6-Thioguanine|2-Amino 6MP|2-Amino-1,7-dihydro-6H-purin-6-thion|2-Amino-1,7-dihydro-6H-purine-6-thione|2-amino-1,9-dihydropurine-6-thione|2-Amino-6-mercaptopurine|2-Amino-6-merkaptopurin|2-Amino-6-MP|2-Amino-6-purinethiol|2-Amino-9H-purine-6-thiol|2-Amino-9H-purine-6(1H)-thione|2-Aminopurin-6-thiol|2-Aminopurine-6-thiol|2-Aminopurine-6(1H)-thione|2-Thioguanine|6-Mercapto-2-aminopurine|6-Mercaptoguanine|6-TG|6H-Purine-6-thione, 2-amino-1,7-dihydro-|6H-Purine-6-thione, 2-amino-1,9-dihydro-|EINECS 205-827-2|Guanine, thio-|NSC 752|NSC 76504|NSC-752|Purine-6-thiol, 2-amino-|Purine-6(1H)-thione, 2-amino-|Purine-6(1H)-thione, 2,3-dihydro-2-imino-|Tabloid|TG|ThG|Thioguanine|Tioguanin|tioguanina|tioguanine|Tioguaninum|UNII-WIX31ZPX66|Wellcome U3B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023652 https://doi.org/10.22427/NTP-DATA-DTXSID6023652
ARPathway2016 ARPathway2016_304 7-(Dimethylamino)-4-methylcoumarin 87-01-4 DTXSID6041422 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 6.64976692197424 uM CN(C)C1=CC2=C(C=C1)C(C)=CC(=O)O2 7-(Dimethylamino)-4-methylcoumarin 87-01-4|7-(Dimethylamino)-4-methylcoumarin|2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-methyl-|4-Methyl-7-dimethylaminocoumarin|7-(Dimethylamino)-4-methyl-2H-1-benzopyran-2-one|BRN 0169992|Coumarin 311|EINECS 201-717-3|NSC 408145|61902-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041422
ARPathway2016 ARPathway2016_304 7-(Dimethylamino)-4-methylcoumarin 87-01-4 DTXSID6041422 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 3.96029784931382 uM CN(C)C1=CC2=C(C=C1)C(C)=CC(=O)O2 7-(Dimethylamino)-4-methylcoumarin 87-01-4|7-(Dimethylamino)-4-methylcoumarin|2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-methyl-|4-Methyl-7-dimethylaminocoumarin|7-(Dimethylamino)-4-methyl-2H-1-benzopyran-2-one|BRN 0169992|Coumarin 311|EINECS 201-717-3|NSC 408145|61902-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041422
ARPathway2016 ARPathway2016_304 7-(Dimethylamino)-4-methylcoumarin 87-01-4 DTXSID6041422 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0906 Unitless CN(C)C1=CC2=C(C=C1)C(C)=CC(=O)O2 7-(Dimethylamino)-4-methylcoumarin 87-01-4|7-(Dimethylamino)-4-methylcoumarin|2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-methyl-|4-Methyl-7-dimethylaminocoumarin|7-(Dimethylamino)-4-methyl-2H-1-benzopyran-2-one|BRN 0169992|Coumarin 311|EINECS 201-717-3|NSC 408145|61902-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041422
ARPathway2016 ARPathway2016_304 7-(Dimethylamino)-4-methylcoumarin 87-01-4 DTXSID6041422 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0.0201 Unitless CN(C)C1=CC2=C(C=C1)C(C)=CC(=O)O2 7-(Dimethylamino)-4-methylcoumarin 87-01-4|7-(Dimethylamino)-4-methylcoumarin|2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-methyl-|4-Methyl-7-dimethylaminocoumarin|7-(Dimethylamino)-4-methyl-2H-1-benzopyran-2-one|BRN 0169992|Coumarin 311|EINECS 201-717-3|NSC 408145|61902-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041422
ARPathway2016 ARPathway2016_304 7-(Dimethylamino)-4-methylcoumarin 87-01-4 DTXSID6041422 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CN(C)C1=CC2=C(C=C1)C(C)=CC(=O)O2 7-(Dimethylamino)-4-methylcoumarin 87-01-4|7-(Dimethylamino)-4-methylcoumarin|2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-methyl-|4-Methyl-7-dimethylaminocoumarin|7-(Dimethylamino)-4-methyl-2H-1-benzopyran-2-one|BRN 0169992|Coumarin 311|EINECS 201-717-3|NSC 408145|61902-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041422
ARPathway2016 ARPathway2016_304 7-(Dimethylamino)-4-methylcoumarin 87-01-4 DTXSID6041422 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C1=CC2=C(C=C1)C(C)=CC(=O)O2 7-(Dimethylamino)-4-methylcoumarin 87-01-4|7-(Dimethylamino)-4-methylcoumarin|2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-methyl-|4-Methyl-7-dimethylaminocoumarin|7-(Dimethylamino)-4-methyl-2H-1-benzopyran-2-one|BRN 0169992|Coumarin 311|EINECS 201-717-3|NSC 408145|61902-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041422
ERPathway2016 ERPathway2016_894 7-(Dimethylamino)-4-methylcoumarin 87-01-4 DTXSID6041422 A14 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)C1=CC2=C(C=C1)C(C)=CC(=O)O2 7-(Dimethylamino)-4-methylcoumarin 87-01-4|7-(Dimethylamino)-4-methylcoumarin|2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-methyl-|4-Methyl-7-dimethylaminocoumarin|7-(Dimethylamino)-4-methyl-2H-1-benzopyran-2-one|BRN 0169992|Coumarin 311|EINECS 201-717-3|NSC 408145|61902-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041422
ERPathway2016 ERPathway2016_894 7-(Dimethylamino)-4-methylcoumarin 87-01-4 DTXSID6041422 A14 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C1=CC2=C(C=C1)C(C)=CC(=O)O2 7-(Dimethylamino)-4-methylcoumarin 87-01-4|7-(Dimethylamino)-4-methylcoumarin|2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-methyl-|4-Methyl-7-dimethylaminocoumarin|7-(Dimethylamino)-4-methyl-2H-1-benzopyran-2-one|BRN 0169992|Coumarin 311|EINECS 201-717-3|NSC 408145|61902-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041422
ERPathway2016 ERPathway2016_894 7-(Dimethylamino)-4-methylcoumarin 87-01-4 DTXSID6041422 A14 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C1=CC2=C(C=C1)C(C)=CC(=O)O2 7-(Dimethylamino)-4-methylcoumarin 87-01-4|7-(Dimethylamino)-4-methylcoumarin|2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-methyl-|4-Methyl-7-dimethylaminocoumarin|7-(Dimethylamino)-4-methyl-2H-1-benzopyran-2-one|BRN 0169992|Coumarin 311|EINECS 201-717-3|NSC 408145|61902-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041422
ERPathway2016 ERPathway2016_894 7-(Dimethylamino)-4-methylcoumarin 87-01-4 DTXSID6041422 A14 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)C1=CC2=C(C=C1)C(C)=CC(=O)O2 7-(Dimethylamino)-4-methylcoumarin 87-01-4|7-(Dimethylamino)-4-methylcoumarin|2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-methyl-|4-Methyl-7-dimethylaminocoumarin|7-(Dimethylamino)-4-methyl-2H-1-benzopyran-2-one|BRN 0169992|Coumarin 311|EINECS 201-717-3|NSC 408145|61902-26-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041422
ARPathway2016 ARPathway2016_221 7,12-Dimethylbenz[a]anthracene 57-97-6 DTXSID1020510 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 15.7747666937043 uM CC1=C2C=CC=CC2=C(C)C2=C3C=CC=CC3=CC=C12 7,12-Dimethylbenz[a]anthracene 57-97-6|7,12-Dimethylbenz[a]anthracene|1,4-Dimethyl-2,3-benzphenanthrene|4-05-00-02587|6,7-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1:2-benz(a)anthracene|7,12-DIMETHYLBENZ(A)ANTHRACEN|7,12-Dimethylbenz[a]anthracen|7,12-dimethylbenz[a]anthracene|7,12-Dimethylbenzanthracene|7,12-Dimethylbenzanthrancene|7,12-Dimethylbenzo(a)anthracene|7,12-Dimethylbenzo[a]anthracene|7,12-dimethyltetraphene|7,12-dimetilbenzo[a]antraceno|7,12-DMBA|9,10-Dimethyl-1,2-benz[a]anthracene|9,10-Dimethyl-1,2-benzanthracene|9,10-Dimethyl-1,2-benzanthrazen|9,10-Dimethylbenz(a)anthracene|Benz[a]anthracene, 7,12-dimethyl-|BRN 1912135|DMBA|EINECS 200-359-5|NCI-C03918|NSC 408823|RCRA waste number U094|UNII-F05B6S0395|56-56-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020510 https://doi.org/10.22427/NTP-DATA-DTXSID1020510
ARPathway2016 ARPathway2016_221 7,12-Dimethylbenz[a]anthracene 57-97-6 DTXSID1020510 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 18.2140641123424 uM CC1=C2C=CC=CC2=C(C)C2=C3C=CC=CC3=CC=C12 7,12-Dimethylbenz[a]anthracene 57-97-6|7,12-Dimethylbenz[a]anthracene|1,4-Dimethyl-2,3-benzphenanthrene|4-05-00-02587|6,7-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1:2-benz(a)anthracene|7,12-DIMETHYLBENZ(A)ANTHRACEN|7,12-Dimethylbenz[a]anthracen|7,12-dimethylbenz[a]anthracene|7,12-Dimethylbenzanthracene|7,12-Dimethylbenzanthrancene|7,12-Dimethylbenzo(a)anthracene|7,12-Dimethylbenzo[a]anthracene|7,12-dimethyltetraphene|7,12-dimetilbenzo[a]antraceno|7,12-DMBA|9,10-Dimethyl-1,2-benz[a]anthracene|9,10-Dimethyl-1,2-benzanthracene|9,10-Dimethyl-1,2-benzanthrazen|9,10-Dimethylbenz(a)anthracene|Benz[a]anthracene, 7,12-dimethyl-|BRN 1912135|DMBA|EINECS 200-359-5|NCI-C03918|NSC 408823|RCRA waste number U094|UNII-F05B6S0395|56-56-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020510 https://doi.org/10.22427/NTP-DATA-DTXSID1020510
ARPathway2016 ARPathway2016_221 7,12-Dimethylbenz[a]anthracene 57-97-6 DTXSID1020510 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.149 Unitless CC1=C2C=CC=CC2=C(C)C2=C3C=CC=CC3=CC=C12 7,12-Dimethylbenz[a]anthracene 57-97-6|7,12-Dimethylbenz[a]anthracene|1,4-Dimethyl-2,3-benzphenanthrene|4-05-00-02587|6,7-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1:2-benz(a)anthracene|7,12-DIMETHYLBENZ(A)ANTHRACEN|7,12-Dimethylbenz[a]anthracen|7,12-dimethylbenz[a]anthracene|7,12-Dimethylbenzanthracene|7,12-Dimethylbenzanthrancene|7,12-Dimethylbenzo(a)anthracene|7,12-Dimethylbenzo[a]anthracene|7,12-dimethyltetraphene|7,12-dimetilbenzo[a]antraceno|7,12-DMBA|9,10-Dimethyl-1,2-benz[a]anthracene|9,10-Dimethyl-1,2-benzanthracene|9,10-Dimethyl-1,2-benzanthrazen|9,10-Dimethylbenz(a)anthracene|Benz[a]anthracene, 7,12-dimethyl-|BRN 1912135|DMBA|EINECS 200-359-5|NCI-C03918|NSC 408823|RCRA waste number U094|UNII-F05B6S0395|56-56-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020510 https://doi.org/10.22427/NTP-DATA-DTXSID1020510
ARPathway2016 ARPathway2016_221 7,12-Dimethylbenz[a]anthracene 57-97-6 DTXSID1020510 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC1=C2C=CC=CC2=C(C)C2=C3C=CC=CC3=CC=C12 7,12-Dimethylbenz[a]anthracene 57-97-6|7,12-Dimethylbenz[a]anthracene|1,4-Dimethyl-2,3-benzphenanthrene|4-05-00-02587|6,7-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1:2-benz(a)anthracene|7,12-DIMETHYLBENZ(A)ANTHRACEN|7,12-Dimethylbenz[a]anthracen|7,12-dimethylbenz[a]anthracene|7,12-Dimethylbenzanthracene|7,12-Dimethylbenzanthrancene|7,12-Dimethylbenzo(a)anthracene|7,12-Dimethylbenzo[a]anthracene|7,12-dimethyltetraphene|7,12-dimetilbenzo[a]antraceno|7,12-DMBA|9,10-Dimethyl-1,2-benz[a]anthracene|9,10-Dimethyl-1,2-benzanthracene|9,10-Dimethyl-1,2-benzanthrazen|9,10-Dimethylbenz(a)anthracene|Benz[a]anthracene, 7,12-dimethyl-|BRN 1912135|DMBA|EINECS 200-359-5|NCI-C03918|NSC 408823|RCRA waste number U094|UNII-F05B6S0395|56-56-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020510 https://doi.org/10.22427/NTP-DATA-DTXSID1020510
ARPathway2016 ARPathway2016_221 7,12-Dimethylbenz[a]anthracene 57-97-6 DTXSID1020510 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC1=C2C=CC=CC2=C(C)C2=C3C=CC=CC3=CC=C12 7,12-Dimethylbenz[a]anthracene 57-97-6|7,12-Dimethylbenz[a]anthracene|1,4-Dimethyl-2,3-benzphenanthrene|4-05-00-02587|6,7-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1:2-benz(a)anthracene|7,12-DIMETHYLBENZ(A)ANTHRACEN|7,12-Dimethylbenz[a]anthracen|7,12-dimethylbenz[a]anthracene|7,12-Dimethylbenzanthracene|7,12-Dimethylbenzanthrancene|7,12-Dimethylbenzo(a)anthracene|7,12-Dimethylbenzo[a]anthracene|7,12-dimethyltetraphene|7,12-dimetilbenzo[a]antraceno|7,12-DMBA|9,10-Dimethyl-1,2-benz[a]anthracene|9,10-Dimethyl-1,2-benzanthracene|9,10-Dimethyl-1,2-benzanthrazen|9,10-Dimethylbenz(a)anthracene|Benz[a]anthracene, 7,12-dimethyl-|BRN 1912135|DMBA|EINECS 200-359-5|NCI-C03918|NSC 408823|RCRA waste number U094|UNII-F05B6S0395|56-56-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020510 https://doi.org/10.22427/NTP-DATA-DTXSID1020510
ARPathway2016 ARPathway2016_221 7,12-Dimethylbenz[a]anthracene 57-97-6 DTXSID1020510 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC1=C2C=CC=CC2=C(C)C2=C3C=CC=CC3=CC=C12 7,12-Dimethylbenz[a]anthracene 57-97-6|7,12-Dimethylbenz[a]anthracene|1,4-Dimethyl-2,3-benzphenanthrene|4-05-00-02587|6,7-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1:2-benz(a)anthracene|7,12-DIMETHYLBENZ(A)ANTHRACEN|7,12-Dimethylbenz[a]anthracen|7,12-dimethylbenz[a]anthracene|7,12-Dimethylbenzanthracene|7,12-Dimethylbenzanthrancene|7,12-Dimethylbenzo(a)anthracene|7,12-Dimethylbenzo[a]anthracene|7,12-dimethyltetraphene|7,12-dimetilbenzo[a]antraceno|7,12-DMBA|9,10-Dimethyl-1,2-benz[a]anthracene|9,10-Dimethyl-1,2-benzanthracene|9,10-Dimethyl-1,2-benzanthrazen|9,10-Dimethylbenz(a)anthracene|Benz[a]anthracene, 7,12-dimethyl-|BRN 1912135|DMBA|EINECS 200-359-5|NCI-C03918|NSC 408823|RCRA waste number U094|UNII-F05B6S0395|56-56-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020510 https://doi.org/10.22427/NTP-DATA-DTXSID1020510
ERPathway2016 ERPathway2016_497 7,12-Dimethylbenz[a]anthracene 57-97-6 DTXSID1020510 R6 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C2C=CC=CC2=C(C)C2=C3C=CC=CC3=CC=C12 7,12-Dimethylbenz[a]anthracene 57-97-6|7,12-Dimethylbenz[a]anthracene|1,4-Dimethyl-2,3-benzphenanthrene|4-05-00-02587|6,7-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1:2-benz(a)anthracene|7,12-DIMETHYLBENZ(A)ANTHRACEN|7,12-Dimethylbenz[a]anthracen|7,12-dimethylbenz[a]anthracene|7,12-Dimethylbenzanthracene|7,12-Dimethylbenzanthrancene|7,12-Dimethylbenzo(a)anthracene|7,12-Dimethylbenzo[a]anthracene|7,12-dimethyltetraphene|7,12-dimetilbenzo[a]antraceno|7,12-DMBA|9,10-Dimethyl-1,2-benz[a]anthracene|9,10-Dimethyl-1,2-benzanthracene|9,10-Dimethyl-1,2-benzanthrazen|9,10-Dimethylbenz(a)anthracene|Benz[a]anthracene, 7,12-dimethyl-|BRN 1912135|DMBA|EINECS 200-359-5|NCI-C03918|NSC 408823|RCRA waste number U094|UNII-F05B6S0395|56-56-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020510 https://doi.org/10.22427/NTP-DATA-DTXSID1020510
ERPathway2016 ERPathway2016_497 7,12-Dimethylbenz[a]anthracene 57-97-6 DTXSID1020510 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C2C=CC=CC2=C(C)C2=C3C=CC=CC3=CC=C12 7,12-Dimethylbenz[a]anthracene 57-97-6|7,12-Dimethylbenz[a]anthracene|1,4-Dimethyl-2,3-benzphenanthrene|4-05-00-02587|6,7-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1:2-benz(a)anthracene|7,12-DIMETHYLBENZ(A)ANTHRACEN|7,12-Dimethylbenz[a]anthracen|7,12-dimethylbenz[a]anthracene|7,12-Dimethylbenzanthracene|7,12-Dimethylbenzanthrancene|7,12-Dimethylbenzo(a)anthracene|7,12-Dimethylbenzo[a]anthracene|7,12-dimethyltetraphene|7,12-dimetilbenzo[a]antraceno|7,12-DMBA|9,10-Dimethyl-1,2-benz[a]anthracene|9,10-Dimethyl-1,2-benzanthracene|9,10-Dimethyl-1,2-benzanthrazen|9,10-Dimethylbenz(a)anthracene|Benz[a]anthracene, 7,12-dimethyl-|BRN 1912135|DMBA|EINECS 200-359-5|NCI-C03918|NSC 408823|RCRA waste number U094|UNII-F05B6S0395|56-56-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020510 https://doi.org/10.22427/NTP-DATA-DTXSID1020510
ERPathway2016 ERPathway2016_497 7,12-Dimethylbenz[a]anthracene 57-97-6 DTXSID1020510 R6 ER Pathway Model, Agonist Call Inactive Unitless CC1=C2C=CC=CC2=C(C)C2=C3C=CC=CC3=CC=C12 7,12-Dimethylbenz[a]anthracene 57-97-6|7,12-Dimethylbenz[a]anthracene|1,4-Dimethyl-2,3-benzphenanthrene|4-05-00-02587|6,7-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1:2-benz(a)anthracene|7,12-DIMETHYLBENZ(A)ANTHRACEN|7,12-Dimethylbenz[a]anthracen|7,12-dimethylbenz[a]anthracene|7,12-Dimethylbenzanthracene|7,12-Dimethylbenzanthrancene|7,12-Dimethylbenzo(a)anthracene|7,12-Dimethylbenzo[a]anthracene|7,12-dimethyltetraphene|7,12-dimetilbenzo[a]antraceno|7,12-DMBA|9,10-Dimethyl-1,2-benz[a]anthracene|9,10-Dimethyl-1,2-benzanthracene|9,10-Dimethyl-1,2-benzanthrazen|9,10-Dimethylbenz(a)anthracene|Benz[a]anthracene, 7,12-dimethyl-|BRN 1912135|DMBA|EINECS 200-359-5|NCI-C03918|NSC 408823|RCRA waste number U094|UNII-F05B6S0395|56-56-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020510 https://doi.org/10.22427/NTP-DATA-DTXSID1020510
ERPathway2016 ERPathway2016_497 7,12-Dimethylbenz[a]anthracene 57-97-6 DTXSID1020510 R6 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C2C=CC=CC2=C(C)C2=C3C=CC=CC3=CC=C12 7,12-Dimethylbenz[a]anthracene 57-97-6|7,12-Dimethylbenz[a]anthracene|1,4-Dimethyl-2,3-benzphenanthrene|4-05-00-02587|6,7-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1,2-benzanthracene|7,12-Dimethyl-1:2-benz(a)anthracene|7,12-DIMETHYLBENZ(A)ANTHRACEN|7,12-Dimethylbenz[a]anthracen|7,12-dimethylbenz[a]anthracene|7,12-Dimethylbenzanthracene|7,12-Dimethylbenzanthrancene|7,12-Dimethylbenzo(a)anthracene|7,12-Dimethylbenzo[a]anthracene|7,12-dimethyltetraphene|7,12-dimetilbenzo[a]antraceno|7,12-DMBA|9,10-Dimethyl-1,2-benz[a]anthracene|9,10-Dimethyl-1,2-benzanthracene|9,10-Dimethyl-1,2-benzanthrazen|9,10-Dimethylbenz(a)anthracene|Benz[a]anthracene, 7,12-dimethyl-|BRN 1912135|DMBA|EINECS 200-359-5|NCI-C03918|NSC 408823|RCRA waste number U094|UNII-F05B6S0395|56-56-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020510 https://doi.org/10.22427/NTP-DATA-DTXSID1020510
ARPathway2016 ARPathway2016_1549 7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole 7747-35-5 DTXSID3029289 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC12COCN1COC2 7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole 7747-35-5|7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole|1-Aza-5-ethyl-3,7-dioxabicyclo(3.3.0)octane|1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-|5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane|Bioban CS 1246|Chemtan A 60|EINECS 231-810-4|Neosyn TX|Oxazolidine E|Oxazolidine E (1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-) (Oxazolidine-E)|Oxazolidine-E|Paramel TX 50|UNII-20E75SVO7A|Zoldine ZE|101707-05-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029289
ARPathway2016 ARPathway2016_1549 7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole 7747-35-5 DTXSID3029289 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC12COCN1COC2 7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole 7747-35-5|7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole|1-Aza-5-ethyl-3,7-dioxabicyclo(3.3.0)octane|1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-|5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane|Bioban CS 1246|Chemtan A 60|EINECS 231-810-4|Neosyn TX|Oxazolidine E|Oxazolidine E (1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-) (Oxazolidine-E)|Oxazolidine-E|Paramel TX 50|UNII-20E75SVO7A|Zoldine ZE|101707-05-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029289
ARPathway2016 ARPathway2016_1549 7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole 7747-35-5 DTXSID3029289 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC12COCN1COC2 7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole 7747-35-5|7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole|1-Aza-5-ethyl-3,7-dioxabicyclo(3.3.0)octane|1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-|5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane|Bioban CS 1246|Chemtan A 60|EINECS 231-810-4|Neosyn TX|Oxazolidine E|Oxazolidine E (1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-) (Oxazolidine-E)|Oxazolidine-E|Paramel TX 50|UNII-20E75SVO7A|Zoldine ZE|101707-05-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029289
ARPathway2016 ARPathway2016_1549 7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole 7747-35-5 DTXSID3029289 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC12COCN1COC2 7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole 7747-35-5|7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole|1-Aza-5-ethyl-3,7-dioxabicyclo(3.3.0)octane|1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-|5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane|Bioban CS 1246|Chemtan A 60|EINECS 231-810-4|Neosyn TX|Oxazolidine E|Oxazolidine E (1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-) (Oxazolidine-E)|Oxazolidine-E|Paramel TX 50|UNII-20E75SVO7A|Zoldine ZE|101707-05-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029289
ERPathway2016 ERPathway2016_1652 7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole 7747-35-5 DTXSID3029289 ER Pathway Model, Agonist Model Score 0 Unitless CCC12COCN1COC2 7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole 7747-35-5|7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole|1-Aza-5-ethyl-3,7-dioxabicyclo(3.3.0)octane|1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-|5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane|Bioban CS 1246|Chemtan A 60|EINECS 231-810-4|Neosyn TX|Oxazolidine E|Oxazolidine E (1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-) (Oxazolidine-E)|Oxazolidine-E|Paramel TX 50|UNII-20E75SVO7A|Zoldine ZE|101707-05-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029289
ERPathway2016 ERPathway2016_1652 7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole 7747-35-5 DTXSID3029289 ER Pathway Model, Antagonist Model Score 0 Unitless CCC12COCN1COC2 7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole 7747-35-5|7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole|1-Aza-5-ethyl-3,7-dioxabicyclo(3.3.0)octane|1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-|5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane|Bioban CS 1246|Chemtan A 60|EINECS 231-810-4|Neosyn TX|Oxazolidine E|Oxazolidine E (1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-) (Oxazolidine-E)|Oxazolidine-E|Paramel TX 50|UNII-20E75SVO7A|Zoldine ZE|101707-05-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029289
ERPathway2016 ERPathway2016_1652 7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole 7747-35-5 DTXSID3029289 ER Pathway Model, Agonist Call Inactive Unitless CCC12COCN1COC2 7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole 7747-35-5|7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole|1-Aza-5-ethyl-3,7-dioxabicyclo(3.3.0)octane|1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-|5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane|Bioban CS 1246|Chemtan A 60|EINECS 231-810-4|Neosyn TX|Oxazolidine E|Oxazolidine E (1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-) (Oxazolidine-E)|Oxazolidine-E|Paramel TX 50|UNII-20E75SVO7A|Zoldine ZE|101707-05-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029289
ERPathway2016 ERPathway2016_1652 7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole 7747-35-5 DTXSID3029289 ER Pathway Model, Antagonist Call Inactive Unitless CCC12COCN1COC2 7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole 7747-35-5|7a-Ethyldihydro-1H,3H,5H-oxazolo(3,4-c)oxazole|1-Aza-5-ethyl-3,7-dioxabicyclo(3.3.0)octane|1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-|5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane|Bioban CS 1246|Chemtan A 60|EINECS 231-810-4|Neosyn TX|Oxazolidine E|Oxazolidine E (1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-) (Oxazolidine-E)|Oxazolidine-E|Paramel TX 50|UNII-20E75SVO7A|Zoldine ZE|101707-05-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029289
ARPathway2016 ARPathway2016_823 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt 139-88-8 DTXSID3041530 1.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt 139-88-8|7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt|4-Ethyl-1-isobutyloktylsiran sodny|4-Undecanol, 7-ethyl-2-methyl-, hydrogen sulfate, sodium salt|7-Ethyl-2-methyl-4-undecanol sulfate sodium salt|EINECS 205-380-3|Natrii tetradecylis sulfa|Natrii tetradecylis sulfas|Natrium 4-ethyl-1-isobutyloctylsulfat|niaproof 4|Obliterol|Sodium 2-methyl-7-ethylundecanol-4-sulfate|Sodium 2-methyl-7-ethylundecyl sulfate-4|Sodium 7-ethyl-2-methyl-4-undecanol sulfate|Sodium 7-ethyl-2-methylundecyl-4-sulfate|Sodium 7-ethyl-2-nethyl-4-undecanol sulfate|Sodium sotradecol|Sotradecol|Tergitol anionic 4|Tergitol penetrant 4|Tetradecilsulfato sodico|Tetradecyl sulfate de sodium|Trombovar|UNII-Q1SUG5KBD6|Varicol|75037-30-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041530
ARPathway2016 ARPathway2016_823 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt 139-88-8 DTXSID3041530 1.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt 139-88-8|7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt|4-Ethyl-1-isobutyloktylsiran sodny|4-Undecanol, 7-ethyl-2-methyl-, hydrogen sulfate, sodium salt|7-Ethyl-2-methyl-4-undecanol sulfate sodium salt|EINECS 205-380-3|Natrii tetradecylis sulfa|Natrii tetradecylis sulfas|Natrium 4-ethyl-1-isobutyloctylsulfat|niaproof 4|Obliterol|Sodium 2-methyl-7-ethylundecanol-4-sulfate|Sodium 2-methyl-7-ethylundecyl sulfate-4|Sodium 7-ethyl-2-methyl-4-undecanol sulfate|Sodium 7-ethyl-2-methylundecyl-4-sulfate|Sodium 7-ethyl-2-nethyl-4-undecanol sulfate|Sodium sotradecol|Sotradecol|Tergitol anionic 4|Tergitol penetrant 4|Tetradecilsulfato sodico|Tetradecyl sulfate de sodium|Trombovar|UNII-Q1SUG5KBD6|Varicol|75037-30-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041530
ARPathway2016 ARPathway2016_823 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt 139-88-8 DTXSID3041530 1.0 A3 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt 139-88-8|7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt|4-Ethyl-1-isobutyloktylsiran sodny|4-Undecanol, 7-ethyl-2-methyl-, hydrogen sulfate, sodium salt|7-Ethyl-2-methyl-4-undecanol sulfate sodium salt|EINECS 205-380-3|Natrii tetradecylis sulfa|Natrii tetradecylis sulfas|Natrium 4-ethyl-1-isobutyloctylsulfat|niaproof 4|Obliterol|Sodium 2-methyl-7-ethylundecanol-4-sulfate|Sodium 2-methyl-7-ethylundecyl sulfate-4|Sodium 7-ethyl-2-methyl-4-undecanol sulfate|Sodium 7-ethyl-2-methylundecyl-4-sulfate|Sodium 7-ethyl-2-nethyl-4-undecanol sulfate|Sodium sotradecol|Sotradecol|Tergitol anionic 4|Tergitol penetrant 4|Tetradecilsulfato sodico|Tetradecyl sulfate de sodium|Trombovar|UNII-Q1SUG5KBD6|Varicol|75037-30-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041530
ARPathway2016 ARPathway2016_823 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt 139-88-8 DTXSID3041530 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt 139-88-8|7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt|4-Ethyl-1-isobutyloktylsiran sodny|4-Undecanol, 7-ethyl-2-methyl-, hydrogen sulfate, sodium salt|7-Ethyl-2-methyl-4-undecanol sulfate sodium salt|EINECS 205-380-3|Natrii tetradecylis sulfa|Natrii tetradecylis sulfas|Natrium 4-ethyl-1-isobutyloctylsulfat|niaproof 4|Obliterol|Sodium 2-methyl-7-ethylundecanol-4-sulfate|Sodium 2-methyl-7-ethylundecyl sulfate-4|Sodium 7-ethyl-2-methyl-4-undecanol sulfate|Sodium 7-ethyl-2-methylundecyl-4-sulfate|Sodium 7-ethyl-2-nethyl-4-undecanol sulfate|Sodium sotradecol|Sotradecol|Tergitol anionic 4|Tergitol penetrant 4|Tetradecilsulfato sodico|Tetradecyl sulfate de sodium|Trombovar|UNII-Q1SUG5KBD6|Varicol|75037-30-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041530
ERPathway2016 ERPathway2016_1294 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt 139-88-8 DTXSID3041530 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt 139-88-8|7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt|4-Ethyl-1-isobutyloktylsiran sodny|4-Undecanol, 7-ethyl-2-methyl-, hydrogen sulfate, sodium salt|7-Ethyl-2-methyl-4-undecanol sulfate sodium salt|EINECS 205-380-3|Natrii tetradecylis sulfa|Natrii tetradecylis sulfas|Natrium 4-ethyl-1-isobutyloctylsulfat|niaproof 4|Obliterol|Sodium 2-methyl-7-ethylundecanol-4-sulfate|Sodium 2-methyl-7-ethylundecyl sulfate-4|Sodium 7-ethyl-2-methyl-4-undecanol sulfate|Sodium 7-ethyl-2-methylundecyl-4-sulfate|Sodium 7-ethyl-2-nethyl-4-undecanol sulfate|Sodium sotradecol|Sotradecol|Tergitol anionic 4|Tergitol penetrant 4|Tetradecilsulfato sodico|Tetradecyl sulfate de sodium|Trombovar|UNII-Q1SUG5KBD6|Varicol|75037-30-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041530
ERPathway2016 ERPathway2016_1294 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt 139-88-8 DTXSID3041530 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt 139-88-8|7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt|4-Ethyl-1-isobutyloktylsiran sodny|4-Undecanol, 7-ethyl-2-methyl-, hydrogen sulfate, sodium salt|7-Ethyl-2-methyl-4-undecanol sulfate sodium salt|EINECS 205-380-3|Natrii tetradecylis sulfa|Natrii tetradecylis sulfas|Natrium 4-ethyl-1-isobutyloctylsulfat|niaproof 4|Obliterol|Sodium 2-methyl-7-ethylundecanol-4-sulfate|Sodium 2-methyl-7-ethylundecyl sulfate-4|Sodium 7-ethyl-2-methyl-4-undecanol sulfate|Sodium 7-ethyl-2-methylundecyl-4-sulfate|Sodium 7-ethyl-2-nethyl-4-undecanol sulfate|Sodium sotradecol|Sotradecol|Tergitol anionic 4|Tergitol penetrant 4|Tetradecilsulfato sodico|Tetradecyl sulfate de sodium|Trombovar|UNII-Q1SUG5KBD6|Varicol|75037-30-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041530
ERPathway2016 ERPathway2016_1294 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt 139-88-8 DTXSID3041530 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt 139-88-8|7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt|4-Ethyl-1-isobutyloktylsiran sodny|4-Undecanol, 7-ethyl-2-methyl-, hydrogen sulfate, sodium salt|7-Ethyl-2-methyl-4-undecanol sulfate sodium salt|EINECS 205-380-3|Natrii tetradecylis sulfa|Natrii tetradecylis sulfas|Natrium 4-ethyl-1-isobutyloctylsulfat|niaproof 4|Obliterol|Sodium 2-methyl-7-ethylundecanol-4-sulfate|Sodium 2-methyl-7-ethylundecyl sulfate-4|Sodium 7-ethyl-2-methyl-4-undecanol sulfate|Sodium 7-ethyl-2-methylundecyl-4-sulfate|Sodium 7-ethyl-2-nethyl-4-undecanol sulfate|Sodium sotradecol|Sotradecol|Tergitol anionic 4|Tergitol penetrant 4|Tetradecilsulfato sodico|Tetradecyl sulfate de sodium|Trombovar|UNII-Q1SUG5KBD6|Varicol|75037-30-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041530
ERPathway2016 ERPathway2016_1294 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt 139-88-8 DTXSID3041530 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt 139-88-8|7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt|4-Ethyl-1-isobutyloktylsiran sodny|4-Undecanol, 7-ethyl-2-methyl-, hydrogen sulfate, sodium salt|7-Ethyl-2-methyl-4-undecanol sulfate sodium salt|EINECS 205-380-3|Natrii tetradecylis sulfa|Natrii tetradecylis sulfas|Natrium 4-ethyl-1-isobutyloctylsulfat|niaproof 4|Obliterol|Sodium 2-methyl-7-ethylundecanol-4-sulfate|Sodium 2-methyl-7-ethylundecyl sulfate-4|Sodium 7-ethyl-2-methyl-4-undecanol sulfate|Sodium 7-ethyl-2-methylundecyl-4-sulfate|Sodium 7-ethyl-2-nethyl-4-undecanol sulfate|Sodium sotradecol|Sotradecol|Tergitol anionic 4|Tergitol penetrant 4|Tetradecilsulfato sodico|Tetradecyl sulfate de sodium|Trombovar|UNII-Q1SUG5KBD6|Varicol|75037-30-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041530
ARPathway2016 ARPathway2016_869 8-Hydroxyquinoline 148-24-3 DTXSID5020730 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=CC2=CC=CN=C12 8-Hydroxyquinoline 148-24-3|8-Hydroxyquinoline|1-Azanaphthalene-8-ol|5-21-03-00252|8-Chinolinol|8-Hydroxy-chinolin|8-Hydroxychinolin|8-OQ|8-Oxyquinoline|8-Quinol|8-Quinolinol|Albisal|BRN 0114512|Caswell No. 719|Chinolin-8-ol|EINECS 205-711-1|EPA Pesticide Chemical Code 059803|Fennosan|Fennosan H 30|Fennosan HF-15|Hydroxybenzopyridine|HYDROXYQUINOLINE|NCI-C55298|NSC 2039|NSC 285166|NSC 402623|NSC 48037|NSC 54230|NSC 615011|NSC 82404|NSC 82405|NSC 82409|NSC 82410|NSC 82412|o-Oxychinolin|Oxoquinoline|Oxybenzopyridine|Oxychinolin|Oxyquinoline|Phenopyridine|Quinolein-8-ol|quinoleine-8-ol|quinolin-8-ol|QUINOLINE, 8-HYDROXY-|Quinophenol|UNII-5UTX5635HP|USAF EK-794|123574-67-4|24804-14-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020730 https://doi.org/10.22427/NTP-DATA-DTXSID5020730
ARPathway2016 ARPathway2016_869 8-Hydroxyquinoline 148-24-3 DTXSID5020730 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=CC2=CC=CN=C12 8-Hydroxyquinoline 148-24-3|8-Hydroxyquinoline|1-Azanaphthalene-8-ol|5-21-03-00252|8-Chinolinol|8-Hydroxy-chinolin|8-Hydroxychinolin|8-OQ|8-Oxyquinoline|8-Quinol|8-Quinolinol|Albisal|BRN 0114512|Caswell No. 719|Chinolin-8-ol|EINECS 205-711-1|EPA Pesticide Chemical Code 059803|Fennosan|Fennosan H 30|Fennosan HF-15|Hydroxybenzopyridine|HYDROXYQUINOLINE|NCI-C55298|NSC 2039|NSC 285166|NSC 402623|NSC 48037|NSC 54230|NSC 615011|NSC 82404|NSC 82405|NSC 82409|NSC 82410|NSC 82412|o-Oxychinolin|Oxoquinoline|Oxybenzopyridine|Oxychinolin|Oxyquinoline|Phenopyridine|Quinolein-8-ol|quinoleine-8-ol|quinolin-8-ol|QUINOLINE, 8-HYDROXY-|Quinophenol|UNII-5UTX5635HP|USAF EK-794|123574-67-4|24804-14-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020730 https://doi.org/10.22427/NTP-DATA-DTXSID5020730
ARPathway2016 ARPathway2016_869 8-Hydroxyquinoline 148-24-3 DTXSID5020730 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC=CC2=CC=CN=C12 8-Hydroxyquinoline 148-24-3|8-Hydroxyquinoline|1-Azanaphthalene-8-ol|5-21-03-00252|8-Chinolinol|8-Hydroxy-chinolin|8-Hydroxychinolin|8-OQ|8-Oxyquinoline|8-Quinol|8-Quinolinol|Albisal|BRN 0114512|Caswell No. 719|Chinolin-8-ol|EINECS 205-711-1|EPA Pesticide Chemical Code 059803|Fennosan|Fennosan H 30|Fennosan HF-15|Hydroxybenzopyridine|HYDROXYQUINOLINE|NCI-C55298|NSC 2039|NSC 285166|NSC 402623|NSC 48037|NSC 54230|NSC 615011|NSC 82404|NSC 82405|NSC 82409|NSC 82410|NSC 82412|o-Oxychinolin|Oxoquinoline|Oxybenzopyridine|Oxychinolin|Oxyquinoline|Phenopyridine|Quinolein-8-ol|quinoleine-8-ol|quinolin-8-ol|QUINOLINE, 8-HYDROXY-|Quinophenol|UNII-5UTX5635HP|USAF EK-794|123574-67-4|24804-14-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020730 https://doi.org/10.22427/NTP-DATA-DTXSID5020730
ARPathway2016 ARPathway2016_869 8-Hydroxyquinoline 148-24-3 DTXSID5020730 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=CC2=CC=CN=C12 8-Hydroxyquinoline 148-24-3|8-Hydroxyquinoline|1-Azanaphthalene-8-ol|5-21-03-00252|8-Chinolinol|8-Hydroxy-chinolin|8-Hydroxychinolin|8-OQ|8-Oxyquinoline|8-Quinol|8-Quinolinol|Albisal|BRN 0114512|Caswell No. 719|Chinolin-8-ol|EINECS 205-711-1|EPA Pesticide Chemical Code 059803|Fennosan|Fennosan H 30|Fennosan HF-15|Hydroxybenzopyridine|HYDROXYQUINOLINE|NCI-C55298|NSC 2039|NSC 285166|NSC 402623|NSC 48037|NSC 54230|NSC 615011|NSC 82404|NSC 82405|NSC 82409|NSC 82410|NSC 82412|o-Oxychinolin|Oxoquinoline|Oxybenzopyridine|Oxychinolin|Oxyquinoline|Phenopyridine|Quinolein-8-ol|quinoleine-8-ol|quinolin-8-ol|QUINOLINE, 8-HYDROXY-|Quinophenol|UNII-5UTX5635HP|USAF EK-794|123574-67-4|24804-14-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020730 https://doi.org/10.22427/NTP-DATA-DTXSID5020730
ERPathway2016 ERPathway2016_936 8-Hydroxyquinoline 148-24-3 DTXSID5020730 ER Pathway Model, Agonist Model Score 0 Unitless OC1=CC=CC2=CC=CN=C12 8-Hydroxyquinoline 148-24-3|8-Hydroxyquinoline|1-Azanaphthalene-8-ol|5-21-03-00252|8-Chinolinol|8-Hydroxy-chinolin|8-Hydroxychinolin|8-OQ|8-Oxyquinoline|8-Quinol|8-Quinolinol|Albisal|BRN 0114512|Caswell No. 719|Chinolin-8-ol|EINECS 205-711-1|EPA Pesticide Chemical Code 059803|Fennosan|Fennosan H 30|Fennosan HF-15|Hydroxybenzopyridine|HYDROXYQUINOLINE|NCI-C55298|NSC 2039|NSC 285166|NSC 402623|NSC 48037|NSC 54230|NSC 615011|NSC 82404|NSC 82405|NSC 82409|NSC 82410|NSC 82412|o-Oxychinolin|Oxoquinoline|Oxybenzopyridine|Oxychinolin|Oxyquinoline|Phenopyridine|Quinolein-8-ol|quinoleine-8-ol|quinolin-8-ol|QUINOLINE, 8-HYDROXY-|Quinophenol|UNII-5UTX5635HP|USAF EK-794|123574-67-4|24804-14-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020730 https://doi.org/10.22427/NTP-DATA-DTXSID5020730
ERPathway2016 ERPathway2016_936 8-Hydroxyquinoline 148-24-3 DTXSID5020730 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=CC2=CC=CN=C12 8-Hydroxyquinoline 148-24-3|8-Hydroxyquinoline|1-Azanaphthalene-8-ol|5-21-03-00252|8-Chinolinol|8-Hydroxy-chinolin|8-Hydroxychinolin|8-OQ|8-Oxyquinoline|8-Quinol|8-Quinolinol|Albisal|BRN 0114512|Caswell No. 719|Chinolin-8-ol|EINECS 205-711-1|EPA Pesticide Chemical Code 059803|Fennosan|Fennosan H 30|Fennosan HF-15|Hydroxybenzopyridine|HYDROXYQUINOLINE|NCI-C55298|NSC 2039|NSC 285166|NSC 402623|NSC 48037|NSC 54230|NSC 615011|NSC 82404|NSC 82405|NSC 82409|NSC 82410|NSC 82412|o-Oxychinolin|Oxoquinoline|Oxybenzopyridine|Oxychinolin|Oxyquinoline|Phenopyridine|Quinolein-8-ol|quinoleine-8-ol|quinolin-8-ol|QUINOLINE, 8-HYDROXY-|Quinophenol|UNII-5UTX5635HP|USAF EK-794|123574-67-4|24804-14-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020730 https://doi.org/10.22427/NTP-DATA-DTXSID5020730
ERPathway2016 ERPathway2016_936 8-Hydroxyquinoline 148-24-3 DTXSID5020730 ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=CC2=CC=CN=C12 8-Hydroxyquinoline 148-24-3|8-Hydroxyquinoline|1-Azanaphthalene-8-ol|5-21-03-00252|8-Chinolinol|8-Hydroxy-chinolin|8-Hydroxychinolin|8-OQ|8-Oxyquinoline|8-Quinol|8-Quinolinol|Albisal|BRN 0114512|Caswell No. 719|Chinolin-8-ol|EINECS 205-711-1|EPA Pesticide Chemical Code 059803|Fennosan|Fennosan H 30|Fennosan HF-15|Hydroxybenzopyridine|HYDROXYQUINOLINE|NCI-C55298|NSC 2039|NSC 285166|NSC 402623|NSC 48037|NSC 54230|NSC 615011|NSC 82404|NSC 82405|NSC 82409|NSC 82410|NSC 82412|o-Oxychinolin|Oxoquinoline|Oxybenzopyridine|Oxychinolin|Oxyquinoline|Phenopyridine|Quinolein-8-ol|quinoleine-8-ol|quinolin-8-ol|QUINOLINE, 8-HYDROXY-|Quinophenol|UNII-5UTX5635HP|USAF EK-794|123574-67-4|24804-14-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020730 https://doi.org/10.22427/NTP-DATA-DTXSID5020730
ERPathway2016 ERPathway2016_936 8-Hydroxyquinoline 148-24-3 DTXSID5020730 ER Pathway Model, Antagonist Call Inactive Unitless OC1=CC=CC2=CC=CN=C12 8-Hydroxyquinoline 148-24-3|8-Hydroxyquinoline|1-Azanaphthalene-8-ol|5-21-03-00252|8-Chinolinol|8-Hydroxy-chinolin|8-Hydroxychinolin|8-OQ|8-Oxyquinoline|8-Quinol|8-Quinolinol|Albisal|BRN 0114512|Caswell No. 719|Chinolin-8-ol|EINECS 205-711-1|EPA Pesticide Chemical Code 059803|Fennosan|Fennosan H 30|Fennosan HF-15|Hydroxybenzopyridine|HYDROXYQUINOLINE|NCI-C55298|NSC 2039|NSC 285166|NSC 402623|NSC 48037|NSC 54230|NSC 615011|NSC 82404|NSC 82405|NSC 82409|NSC 82410|NSC 82412|o-Oxychinolin|Oxoquinoline|Oxybenzopyridine|Oxychinolin|Oxyquinoline|Phenopyridine|Quinolein-8-ol|quinoleine-8-ol|quinolin-8-ol|QUINOLINE, 8-HYDROXY-|Quinophenol|UNII-5UTX5635HP|USAF EK-794|123574-67-4|24804-14-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020730 https://doi.org/10.22427/NTP-DATA-DTXSID5020730
ARPathway2016 ARPathway2016_797 8-Hydroxyquinoline sulfate 134-31-6 DTXSID6025436 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless OS(O)(=O)=O.OC1=C2N=CC=CC2=CC=C1.OC1=C2N=CC=CC2=CC=C1 8-Hydroxyquinoline sulfate 134-31-6|8-Hydroxyquinoline sulfate|8-Hydroxy-chinolin-sulfat|8-Quinolinol sulfate|8-Quinolinol, hydrogen sulfate (2:1)|8-Quinolinol, sulfate (2:1)|Bis(8-hydroxychinolinium)sulfat|bis(8-hydroxyquinolinium) sulphate|Caswell No. 719B|Cryptonol|EINECS 205-137-1|EPA Pesticide Chemical Code 059804|Khinozol|Octofen|Oxine sulfate|Oxyquinoline sulfate|Quinosol|Quinosol Extra|Solfato di 8-ossichinolina|Solvochin-Extra|sulfate de bis(8-hydroxyquinoleinium)|sulfato de bis(8-hidroxiquinolinio)|Sunoxol|Superol|UNII-61VUG75Y3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025436 https://doi.org/10.22427/NTP-DATA-DTXSID6025436
ARPathway2016 ARPathway2016_797 8-Hydroxyquinoline sulfate 134-31-6 DTXSID6025436 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless OS(O)(=O)=O.OC1=C2N=CC=CC2=CC=C1.OC1=C2N=CC=CC2=CC=C1 8-Hydroxyquinoline sulfate 134-31-6|8-Hydroxyquinoline sulfate|8-Hydroxy-chinolin-sulfat|8-Quinolinol sulfate|8-Quinolinol, hydrogen sulfate (2:1)|8-Quinolinol, sulfate (2:1)|Bis(8-hydroxychinolinium)sulfat|bis(8-hydroxyquinolinium) sulphate|Caswell No. 719B|Cryptonol|EINECS 205-137-1|EPA Pesticide Chemical Code 059804|Khinozol|Octofen|Oxine sulfate|Oxyquinoline sulfate|Quinosol|Quinosol Extra|Solfato di 8-ossichinolina|Solvochin-Extra|sulfate de bis(8-hydroxyquinoleinium)|sulfato de bis(8-hidroxiquinolinio)|Sunoxol|Superol|UNII-61VUG75Y3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025436 https://doi.org/10.22427/NTP-DATA-DTXSID6025436
ARPathway2016 ARPathway2016_797 8-Hydroxyquinoline sulfate 134-31-6 DTXSID6025436 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless OS(O)(=O)=O.OC1=C2N=CC=CC2=CC=C1.OC1=C2N=CC=CC2=CC=C1 8-Hydroxyquinoline sulfate 134-31-6|8-Hydroxyquinoline sulfate|8-Hydroxy-chinolin-sulfat|8-Quinolinol sulfate|8-Quinolinol, hydrogen sulfate (2:1)|8-Quinolinol, sulfate (2:1)|Bis(8-hydroxychinolinium)sulfat|bis(8-hydroxyquinolinium) sulphate|Caswell No. 719B|Cryptonol|EINECS 205-137-1|EPA Pesticide Chemical Code 059804|Khinozol|Octofen|Oxine sulfate|Oxyquinoline sulfate|Quinosol|Quinosol Extra|Solfato di 8-ossichinolina|Solvochin-Extra|sulfate de bis(8-hydroxyquinoleinium)|sulfato de bis(8-hidroxiquinolinio)|Sunoxol|Superol|UNII-61VUG75Y3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025436 https://doi.org/10.22427/NTP-DATA-DTXSID6025436
ARPathway2016 ARPathway2016_797 8-Hydroxyquinoline sulfate 134-31-6 DTXSID6025436 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless OS(O)(=O)=O.OC1=C2N=CC=CC2=CC=C1.OC1=C2N=CC=CC2=CC=C1 8-Hydroxyquinoline sulfate 134-31-6|8-Hydroxyquinoline sulfate|8-Hydroxy-chinolin-sulfat|8-Quinolinol sulfate|8-Quinolinol, hydrogen sulfate (2:1)|8-Quinolinol, sulfate (2:1)|Bis(8-hydroxychinolinium)sulfat|bis(8-hydroxyquinolinium) sulphate|Caswell No. 719B|Cryptonol|EINECS 205-137-1|EPA Pesticide Chemical Code 059804|Khinozol|Octofen|Oxine sulfate|Oxyquinoline sulfate|Quinosol|Quinosol Extra|Solfato di 8-ossichinolina|Solvochin-Extra|sulfate de bis(8-hydroxyquinoleinium)|sulfato de bis(8-hidroxiquinolinio)|Sunoxol|Superol|UNII-61VUG75Y3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025436 https://doi.org/10.22427/NTP-DATA-DTXSID6025436
ERPathway2016 ERPathway2016_404 8-Hydroxyquinoline sulfate 134-31-6 DTXSID6025436 ER Pathway Model, Antagonist AC50 31.6050104317818 uM OS(O)(=O)=O.OC1=C2N=CC=CC2=CC=C1.OC1=C2N=CC=CC2=CC=C1 8-Hydroxyquinoline sulfate 134-31-6|8-Hydroxyquinoline sulfate|8-Hydroxy-chinolin-sulfat|8-Quinolinol sulfate|8-Quinolinol, hydrogen sulfate (2:1)|8-Quinolinol, sulfate (2:1)|Bis(8-hydroxychinolinium)sulfat|bis(8-hydroxyquinolinium) sulphate|Caswell No. 719B|Cryptonol|EINECS 205-137-1|EPA Pesticide Chemical Code 059804|Khinozol|Octofen|Oxine sulfate|Oxyquinoline sulfate|Quinosol|Quinosol Extra|Solfato di 8-ossichinolina|Solvochin-Extra|sulfate de bis(8-hydroxyquinoleinium)|sulfato de bis(8-hidroxiquinolinio)|Sunoxol|Superol|UNII-61VUG75Y3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025436 https://doi.org/10.22427/NTP-DATA-DTXSID6025436
ERPathway2016 ERPathway2016_404 8-Hydroxyquinoline sulfate 134-31-6 DTXSID6025436 ER Pathway Model, Antagonist ACC 28.5674646506914 uM OS(O)(=O)=O.OC1=C2N=CC=CC2=CC=C1.OC1=C2N=CC=CC2=CC=C1 8-Hydroxyquinoline sulfate 134-31-6|8-Hydroxyquinoline sulfate|8-Hydroxy-chinolin-sulfat|8-Quinolinol sulfate|8-Quinolinol, hydrogen sulfate (2:1)|8-Quinolinol, sulfate (2:1)|Bis(8-hydroxychinolinium)sulfat|bis(8-hydroxyquinolinium) sulphate|Caswell No. 719B|Cryptonol|EINECS 205-137-1|EPA Pesticide Chemical Code 059804|Khinozol|Octofen|Oxine sulfate|Oxyquinoline sulfate|Quinosol|Quinosol Extra|Solfato di 8-ossichinolina|Solvochin-Extra|sulfate de bis(8-hydroxyquinoleinium)|sulfato de bis(8-hidroxiquinolinio)|Sunoxol|Superol|UNII-61VUG75Y3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025436 https://doi.org/10.22427/NTP-DATA-DTXSID6025436
ERPathway2016 ERPathway2016_404 8-Hydroxyquinoline sulfate 134-31-6 DTXSID6025436 ER Pathway Model, Agonist Model Score 0.00897 Unitless OS(O)(=O)=O.OC1=C2N=CC=CC2=CC=C1.OC1=C2N=CC=CC2=CC=C1 8-Hydroxyquinoline sulfate 134-31-6|8-Hydroxyquinoline sulfate|8-Hydroxy-chinolin-sulfat|8-Quinolinol sulfate|8-Quinolinol, hydrogen sulfate (2:1)|8-Quinolinol, sulfate (2:1)|Bis(8-hydroxychinolinium)sulfat|bis(8-hydroxyquinolinium) sulphate|Caswell No. 719B|Cryptonol|EINECS 205-137-1|EPA Pesticide Chemical Code 059804|Khinozol|Octofen|Oxine sulfate|Oxyquinoline sulfate|Quinosol|Quinosol Extra|Solfato di 8-ossichinolina|Solvochin-Extra|sulfate de bis(8-hydroxyquinoleinium)|sulfato de bis(8-hidroxiquinolinio)|Sunoxol|Superol|UNII-61VUG75Y3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025436 https://doi.org/10.22427/NTP-DATA-DTXSID6025436
ERPathway2016 ERPathway2016_404 8-Hydroxyquinoline sulfate 134-31-6 DTXSID6025436 ER Pathway Model, Antagonist Model Score 0 Unitless OS(O)(=O)=O.OC1=C2N=CC=CC2=CC=C1.OC1=C2N=CC=CC2=CC=C1 8-Hydroxyquinoline sulfate 134-31-6|8-Hydroxyquinoline sulfate|8-Hydroxy-chinolin-sulfat|8-Quinolinol sulfate|8-Quinolinol, hydrogen sulfate (2:1)|8-Quinolinol, sulfate (2:1)|Bis(8-hydroxychinolinium)sulfat|bis(8-hydroxyquinolinium) sulphate|Caswell No. 719B|Cryptonol|EINECS 205-137-1|EPA Pesticide Chemical Code 059804|Khinozol|Octofen|Oxine sulfate|Oxyquinoline sulfate|Quinosol|Quinosol Extra|Solfato di 8-ossichinolina|Solvochin-Extra|sulfate de bis(8-hydroxyquinoleinium)|sulfato de bis(8-hidroxiquinolinio)|Sunoxol|Superol|UNII-61VUG75Y3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025436 https://doi.org/10.22427/NTP-DATA-DTXSID6025436
ERPathway2016 ERPathway2016_404 8-Hydroxyquinoline sulfate 134-31-6 DTXSID6025436 ER Pathway Model, Agonist Call Inactive Unitless OS(O)(=O)=O.OC1=C2N=CC=CC2=CC=C1.OC1=C2N=CC=CC2=CC=C1 8-Hydroxyquinoline sulfate 134-31-6|8-Hydroxyquinoline sulfate|8-Hydroxy-chinolin-sulfat|8-Quinolinol sulfate|8-Quinolinol, hydrogen sulfate (2:1)|8-Quinolinol, sulfate (2:1)|Bis(8-hydroxychinolinium)sulfat|bis(8-hydroxyquinolinium) sulphate|Caswell No. 719B|Cryptonol|EINECS 205-137-1|EPA Pesticide Chemical Code 059804|Khinozol|Octofen|Oxine sulfate|Oxyquinoline sulfate|Quinosol|Quinosol Extra|Solfato di 8-ossichinolina|Solvochin-Extra|sulfate de bis(8-hydroxyquinoleinium)|sulfato de bis(8-hidroxiquinolinio)|Sunoxol|Superol|UNII-61VUG75Y3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025436 https://doi.org/10.22427/NTP-DATA-DTXSID6025436
ERPathway2016 ERPathway2016_404 8-Hydroxyquinoline sulfate 134-31-6 DTXSID6025436 ER Pathway Model, Antagonist Call Active Unitless OS(O)(=O)=O.OC1=C2N=CC=CC2=CC=C1.OC1=C2N=CC=CC2=CC=C1 8-Hydroxyquinoline sulfate 134-31-6|8-Hydroxyquinoline sulfate|8-Hydroxy-chinolin-sulfat|8-Quinolinol sulfate|8-Quinolinol, hydrogen sulfate (2:1)|8-Quinolinol, sulfate (2:1)|Bis(8-hydroxychinolinium)sulfat|bis(8-hydroxyquinolinium) sulphate|Caswell No. 719B|Cryptonol|EINECS 205-137-1|EPA Pesticide Chemical Code 059804|Khinozol|Octofen|Oxine sulfate|Oxyquinoline sulfate|Quinosol|Quinosol Extra|Solfato di 8-ossichinolina|Solvochin-Extra|sulfate de bis(8-hydroxyquinoleinium)|sulfato de bis(8-hidroxiquinolinio)|Sunoxol|Superol|UNII-61VUG75Y3P https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025436 https://doi.org/10.22427/NTP-DATA-DTXSID6025436
ARPathway2016 ARPathway2016_183 9-Phenanthrol 484-17-3 DTXSID9047592 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 8.63056884800001 uM OC1=CC2=C(C=CC=C2)C2=CC=CC=C12 9-Phenanthrol 484-17-3|9-Phenanthrol|4-06-00-04937|9-Phenanthrenol|BRN 2047057|EINECS 207-602-4|NSC 50554|phenanthren-9-ol|UNII-9FYU45OV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047592
ARPathway2016 ARPathway2016_183 9-Phenanthrol 484-17-3 DTXSID9047592 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 5.749163173 uM OC1=CC2=C(C=CC=C2)C2=CC=CC=C12 9-Phenanthrol 484-17-3|9-Phenanthrol|4-06-00-04937|9-Phenanthrenol|BRN 2047057|EINECS 207-602-4|NSC 50554|phenanthren-9-ol|UNII-9FYU45OV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047592
ARPathway2016 ARPathway2016_183 9-Phenanthrol 484-17-3 DTXSID9047592 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.477 Unitless OC1=CC2=C(C=CC=C2)C2=CC=CC=C12 9-Phenanthrol 484-17-3|9-Phenanthrol|4-06-00-04937|9-Phenanthrenol|BRN 2047057|EINECS 207-602-4|NSC 50554|phenanthren-9-ol|UNII-9FYU45OV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047592
ARPathway2016 ARPathway2016_183 9-Phenanthrol 484-17-3 DTXSID9047592 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0.0111 Unitless OC1=CC2=C(C=CC=C2)C2=CC=CC=C12 9-Phenanthrol 484-17-3|9-Phenanthrol|4-06-00-04937|9-Phenanthrenol|BRN 2047057|EINECS 207-602-4|NSC 50554|phenanthren-9-ol|UNII-9FYU45OV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047592
ARPathway2016 ARPathway2016_183 9-Phenanthrol 484-17-3 DTXSID9047592 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=CC2=C(C=CC=C2)C2=CC=CC=C12 9-Phenanthrol 484-17-3|9-Phenanthrol|4-06-00-04937|9-Phenanthrenol|BRN 2047057|EINECS 207-602-4|NSC 50554|phenanthren-9-ol|UNII-9FYU45OV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047592
ARPathway2016 ARPathway2016_183 9-Phenanthrol 484-17-3 DTXSID9047592 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC2=C(C=CC=C2)C2=CC=CC=C12 9-Phenanthrol 484-17-3|9-Phenanthrol|4-06-00-04937|9-Phenanthrenol|BRN 2047057|EINECS 207-602-4|NSC 50554|phenanthren-9-ol|UNII-9FYU45OV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047592
ERPathway2016 ERPathway2016_79 9-Phenanthrol 484-17-3 DTXSID9047592 ER Pathway Model, Agonist AC50 12.1503998605287 uM OC1=CC2=C(C=CC=C2)C2=CC=CC=C12 9-Phenanthrol 484-17-3|9-Phenanthrol|4-06-00-04937|9-Phenanthrenol|BRN 2047057|EINECS 207-602-4|NSC 50554|phenanthren-9-ol|UNII-9FYU45OV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047592
ERPathway2016 ERPathway2016_79 9-Phenanthrol 484-17-3 DTXSID9047592 ER Pathway Model, Agonist ACC 15.910838421801 uM OC1=CC2=C(C=CC=C2)C2=CC=CC=C12 9-Phenanthrol 484-17-3|9-Phenanthrol|4-06-00-04937|9-Phenanthrenol|BRN 2047057|EINECS 207-602-4|NSC 50554|phenanthren-9-ol|UNII-9FYU45OV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047592
ERPathway2016 ERPathway2016_79 9-Phenanthrol 484-17-3 DTXSID9047592 ER Pathway Model, Agonist Model Score 0 Unitless OC1=CC2=C(C=CC=C2)C2=CC=CC=C12 9-Phenanthrol 484-17-3|9-Phenanthrol|4-06-00-04937|9-Phenanthrenol|BRN 2047057|EINECS 207-602-4|NSC 50554|phenanthren-9-ol|UNII-9FYU45OV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047592
ERPathway2016 ERPathway2016_79 9-Phenanthrol 484-17-3 DTXSID9047592 ER Pathway Model, Antagonist Model Score 0.0482 Unitless OC1=CC2=C(C=CC=C2)C2=CC=CC=C12 9-Phenanthrol 484-17-3|9-Phenanthrol|4-06-00-04937|9-Phenanthrenol|BRN 2047057|EINECS 207-602-4|NSC 50554|phenanthren-9-ol|UNII-9FYU45OV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047592
ERPathway2016 ERPathway2016_79 9-Phenanthrol 484-17-3 DTXSID9047592 ER Pathway Model, Agonist Call Active Unitless OC1=CC2=C(C=CC=C2)C2=CC=CC=C12 9-Phenanthrol 484-17-3|9-Phenanthrol|4-06-00-04937|9-Phenanthrenol|BRN 2047057|EINECS 207-602-4|NSC 50554|phenanthren-9-ol|UNII-9FYU45OV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047592
ERPathway2016 ERPathway2016_79 9-Phenanthrol 484-17-3 DTXSID9047592 ER Pathway Model, Antagonist Call Inactive Unitless OC1=CC2=C(C=CC=C2)C2=CC=CC=C12 9-Phenanthrol 484-17-3|9-Phenanthrol|4-06-00-04937|9-Phenanthrenol|BRN 2047057|EINECS 207-602-4|NSC 50554|phenanthren-9-ol|UNII-9FYU45OV9H https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047592
ARPathway2016 ARPathway2016_260 Abamectin 71751-41-2 DTXSID8023892 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 10.27389251 uM Abamectin 71751-41-2|Abamectin|Abamektin|Abamitel|Agri-Mek|Agrimec|Agrimek|Avermectin B1|Avermectin B1a-Avermectin B1b mixt.|Aversectin S|AVID EC|Fitoverm|Genesis Oral Drench|Lirosect|Phytoverm|Rustomectin|UNII-5U8924T11H|Vermitec|Vertimec|100920-72-7|1047643-53-7|122666-97-1|138794-43-1|181658-85-5|86753-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023892
ARPathway2016 ARPathway2016_260 Abamectin 71751-41-2 DTXSID8023892 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 9.986069461 uM Abamectin 71751-41-2|Abamectin|Abamektin|Abamitel|Agri-Mek|Agrimec|Agrimek|Avermectin B1|Avermectin B1a-Avermectin B1b mixt.|Aversectin S|AVID EC|Fitoverm|Genesis Oral Drench|Lirosect|Phytoverm|Rustomectin|UNII-5U8924T11H|Vermitec|Vertimec|100920-72-7|1047643-53-7|122666-97-1|138794-43-1|181658-85-5|86753-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023892
ARPathway2016 ARPathway2016_260 Abamectin 71751-41-2 DTXSID8023892 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.388 Unitless Abamectin 71751-41-2|Abamectin|Abamektin|Abamitel|Agri-Mek|Agrimec|Agrimek|Avermectin B1|Avermectin B1a-Avermectin B1b mixt.|Aversectin S|AVID EC|Fitoverm|Genesis Oral Drench|Lirosect|Phytoverm|Rustomectin|UNII-5U8924T11H|Vermitec|Vertimec|100920-72-7|1047643-53-7|122666-97-1|138794-43-1|181658-85-5|86753-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023892
ARPathway2016 ARPathway2016_260 Abamectin 71751-41-2 DTXSID8023892 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless Abamectin 71751-41-2|Abamectin|Abamektin|Abamitel|Agri-Mek|Agrimec|Agrimek|Avermectin B1|Avermectin B1a-Avermectin B1b mixt.|Aversectin S|AVID EC|Fitoverm|Genesis Oral Drench|Lirosect|Phytoverm|Rustomectin|UNII-5U8924T11H|Vermitec|Vertimec|100920-72-7|1047643-53-7|122666-97-1|138794-43-1|181658-85-5|86753-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023892
ARPathway2016 ARPathway2016_260 Abamectin 71751-41-2 DTXSID8023892 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Abamectin 71751-41-2|Abamectin|Abamektin|Abamitel|Agri-Mek|Agrimec|Agrimek|Avermectin B1|Avermectin B1a-Avermectin B1b mixt.|Aversectin S|AVID EC|Fitoverm|Genesis Oral Drench|Lirosect|Phytoverm|Rustomectin|UNII-5U8924T11H|Vermitec|Vertimec|100920-72-7|1047643-53-7|122666-97-1|138794-43-1|181658-85-5|86753-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023892
ARPathway2016 ARPathway2016_260 Abamectin 71751-41-2 DTXSID8023892 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Abamectin 71751-41-2|Abamectin|Abamektin|Abamitel|Agri-Mek|Agrimec|Agrimek|Avermectin B1|Avermectin B1a-Avermectin B1b mixt.|Aversectin S|AVID EC|Fitoverm|Genesis Oral Drench|Lirosect|Phytoverm|Rustomectin|UNII-5U8924T11H|Vermitec|Vertimec|100920-72-7|1047643-53-7|122666-97-1|138794-43-1|181658-85-5|86753-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023892
ERPathway2016 ERPathway2016_561 Abamectin 71751-41-2 DTXSID8023892 R9 ER Pathway Model, Agonist Model Score 0 Unitless Abamectin 71751-41-2|Abamectin|Abamektin|Abamitel|Agri-Mek|Agrimec|Agrimek|Avermectin B1|Avermectin B1a-Avermectin B1b mixt.|Aversectin S|AVID EC|Fitoverm|Genesis Oral Drench|Lirosect|Phytoverm|Rustomectin|UNII-5U8924T11H|Vermitec|Vertimec|100920-72-7|1047643-53-7|122666-97-1|138794-43-1|181658-85-5|86753-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023892
ERPathway2016 ERPathway2016_561 Abamectin 71751-41-2 DTXSID8023892 R9 ER Pathway Model, Antagonist Model Score 0 Unitless Abamectin 71751-41-2|Abamectin|Abamektin|Abamitel|Agri-Mek|Agrimec|Agrimek|Avermectin B1|Avermectin B1a-Avermectin B1b mixt.|Aversectin S|AVID EC|Fitoverm|Genesis Oral Drench|Lirosect|Phytoverm|Rustomectin|UNII-5U8924T11H|Vermitec|Vertimec|100920-72-7|1047643-53-7|122666-97-1|138794-43-1|181658-85-5|86753-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023892
ERPathway2016 ERPathway2016_561 Abamectin 71751-41-2 DTXSID8023892 R9 ER Pathway Model, Agonist Call Inactive Unitless Abamectin 71751-41-2|Abamectin|Abamektin|Abamitel|Agri-Mek|Agrimec|Agrimek|Avermectin B1|Avermectin B1a-Avermectin B1b mixt.|Aversectin S|AVID EC|Fitoverm|Genesis Oral Drench|Lirosect|Phytoverm|Rustomectin|UNII-5U8924T11H|Vermitec|Vertimec|100920-72-7|1047643-53-7|122666-97-1|138794-43-1|181658-85-5|86753-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023892
ERPathway2016 ERPathway2016_561 Abamectin 71751-41-2 DTXSID8023892 R9 ER Pathway Model, Antagonist Call Inactive Unitless Abamectin 71751-41-2|Abamectin|Abamektin|Abamitel|Agri-Mek|Agrimec|Agrimek|Avermectin B1|Avermectin B1a-Avermectin B1b mixt.|Aversectin S|AVID EC|Fitoverm|Genesis Oral Drench|Lirosect|Phytoverm|Rustomectin|UNII-5U8924T11H|Vermitec|Vertimec|100920-72-7|1047643-53-7|122666-97-1|138794-43-1|181658-85-5|86753-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023892
ARPathway2016 ARPathway2016_1630 Acenaphthene 83-32-9 DTXSID3021774 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1CC2=C3C1=CC=CC3=CC=C2 Acenaphthene 83-32-9|Acenaphthene|1,2-Dihydroacenaphthylene|1,8-Dihydroacenaphthalene|1,8-Ethylenenaphthalene|acenafteno|Acenaphtene|Acenaphthen|Acenaphthylene, 1,2-dihydro-|EINECS 201-469-6|Ethylenenaphthalene|Naphthyleneethylene|NSC 7657|peri-Ethylenenaphthalene|UNII-V8UT1GAC5Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021774 https://doi.org/10.22427/NTP-DATA-DTXSID3021774
ARPathway2016 ARPathway2016_1630 Acenaphthene 83-32-9 DTXSID3021774 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1CC2=C3C1=CC=CC3=CC=C2 Acenaphthene 83-32-9|Acenaphthene|1,2-Dihydroacenaphthylene|1,8-Dihydroacenaphthalene|1,8-Ethylenenaphthalene|acenafteno|Acenaphtene|Acenaphthen|Acenaphthylene, 1,2-dihydro-|EINECS 201-469-6|Ethylenenaphthalene|Naphthyleneethylene|NSC 7657|peri-Ethylenenaphthalene|UNII-V8UT1GAC5Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021774 https://doi.org/10.22427/NTP-DATA-DTXSID3021774
ARPathway2016 ARPathway2016_1630 Acenaphthene 83-32-9 DTXSID3021774 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1CC2=C3C1=CC=CC3=CC=C2 Acenaphthene 83-32-9|Acenaphthene|1,2-Dihydroacenaphthylene|1,8-Dihydroacenaphthalene|1,8-Ethylenenaphthalene|acenafteno|Acenaphtene|Acenaphthen|Acenaphthylene, 1,2-dihydro-|EINECS 201-469-6|Ethylenenaphthalene|Naphthyleneethylene|NSC 7657|peri-Ethylenenaphthalene|UNII-V8UT1GAC5Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021774 https://doi.org/10.22427/NTP-DATA-DTXSID3021774
ARPathway2016 ARPathway2016_1630 Acenaphthene 83-32-9 DTXSID3021774 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1CC2=C3C1=CC=CC3=CC=C2 Acenaphthene 83-32-9|Acenaphthene|1,2-Dihydroacenaphthylene|1,8-Dihydroacenaphthalene|1,8-Ethylenenaphthalene|acenafteno|Acenaphtene|Acenaphthen|Acenaphthylene, 1,2-dihydro-|EINECS 201-469-6|Ethylenenaphthalene|Naphthyleneethylene|NSC 7657|peri-Ethylenenaphthalene|UNII-V8UT1GAC5Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021774 https://doi.org/10.22427/NTP-DATA-DTXSID3021774
ERPathway2016 ERPathway2016_1695 Acenaphthene 83-32-9 DTXSID3021774 ER Pathway Model, Agonist Model Score 0 Unitless C1CC2=C3C1=CC=CC3=CC=C2 Acenaphthene 83-32-9|Acenaphthene|1,2-Dihydroacenaphthylene|1,8-Dihydroacenaphthalene|1,8-Ethylenenaphthalene|acenafteno|Acenaphtene|Acenaphthen|Acenaphthylene, 1,2-dihydro-|EINECS 201-469-6|Ethylenenaphthalene|Naphthyleneethylene|NSC 7657|peri-Ethylenenaphthalene|UNII-V8UT1GAC5Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021774 https://doi.org/10.22427/NTP-DATA-DTXSID3021774
ERPathway2016 ERPathway2016_1695 Acenaphthene 83-32-9 DTXSID3021774 ER Pathway Model, Antagonist Model Score 0 Unitless C1CC2=C3C1=CC=CC3=CC=C2 Acenaphthene 83-32-9|Acenaphthene|1,2-Dihydroacenaphthylene|1,8-Dihydroacenaphthalene|1,8-Ethylenenaphthalene|acenafteno|Acenaphtene|Acenaphthen|Acenaphthylene, 1,2-dihydro-|EINECS 201-469-6|Ethylenenaphthalene|Naphthyleneethylene|NSC 7657|peri-Ethylenenaphthalene|UNII-V8UT1GAC5Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021774 https://doi.org/10.22427/NTP-DATA-DTXSID3021774
ERPathway2016 ERPathway2016_1695 Acenaphthene 83-32-9 DTXSID3021774 ER Pathway Model, Agonist Call Inactive Unitless C1CC2=C3C1=CC=CC3=CC=C2 Acenaphthene 83-32-9|Acenaphthene|1,2-Dihydroacenaphthylene|1,8-Dihydroacenaphthalene|1,8-Ethylenenaphthalene|acenafteno|Acenaphtene|Acenaphthen|Acenaphthylene, 1,2-dihydro-|EINECS 201-469-6|Ethylenenaphthalene|Naphthyleneethylene|NSC 7657|peri-Ethylenenaphthalene|UNII-V8UT1GAC5Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021774 https://doi.org/10.22427/NTP-DATA-DTXSID3021774
ERPathway2016 ERPathway2016_1695 Acenaphthene 83-32-9 DTXSID3021774 ER Pathway Model, Antagonist Call Inactive Unitless C1CC2=C3C1=CC=CC3=CC=C2 Acenaphthene 83-32-9|Acenaphthene|1,2-Dihydroacenaphthylene|1,8-Dihydroacenaphthalene|1,8-Ethylenenaphthalene|acenafteno|Acenaphtene|Acenaphthen|Acenaphthylene, 1,2-dihydro-|EINECS 201-469-6|Ethylenenaphthalene|Naphthyleneethylene|NSC 7657|peri-Ethylenenaphthalene|UNII-V8UT1GAC5Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021774 https://doi.org/10.22427/NTP-DATA-DTXSID3021774
ARPathway2016 ARPathway2016_986 Acenaphthylene 208-96-8 DTXSID3023845 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=C3C1=CC=CC3=CC=C2 Acenaphthylene 208-96-8|Acenaphthylene|acenaftileno|acenaphthyene|Acenaphthylen|Acenaphtylene|Cyclopenta(de)naphthalene|Cyclopenta[de]naphthalene|EINECS 205-917-1|NSC 59821|UNII-1Z25C36811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023845
ARPathway2016 ARPathway2016_986 Acenaphthylene 208-96-8 DTXSID3023845 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1=CC2=C3C1=CC=CC3=CC=C2 Acenaphthylene 208-96-8|Acenaphthylene|acenaftileno|acenaphthyene|Acenaphthylen|Acenaphtylene|Cyclopenta(de)naphthalene|Cyclopenta[de]naphthalene|EINECS 205-917-1|NSC 59821|UNII-1Z25C36811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023845
ARPathway2016 ARPathway2016_986 Acenaphthylene 208-96-8 DTXSID3023845 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1=CC2=C3C1=CC=CC3=CC=C2 Acenaphthylene 208-96-8|Acenaphthylene|acenaftileno|acenaphthyene|Acenaphthylen|Acenaphtylene|Cyclopenta(de)naphthalene|Cyclopenta[de]naphthalene|EINECS 205-917-1|NSC 59821|UNII-1Z25C36811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023845
ARPathway2016 ARPathway2016_986 Acenaphthylene 208-96-8 DTXSID3023845 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1=CC2=C3C1=CC=CC3=CC=C2 Acenaphthylene 208-96-8|Acenaphthylene|acenaftileno|acenaphthyene|Acenaphthylen|Acenaphtylene|Cyclopenta(de)naphthalene|Cyclopenta[de]naphthalene|EINECS 205-917-1|NSC 59821|UNII-1Z25C36811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023845
ERPathway2016 ERPathway2016_1372 Acenaphthylene 208-96-8 DTXSID3023845 ER Pathway Model, Agonist Model Score 0 Unitless C1=CC2=C3C1=CC=CC3=CC=C2 Acenaphthylene 208-96-8|Acenaphthylene|acenaftileno|acenaphthyene|Acenaphthylen|Acenaphtylene|Cyclopenta(de)naphthalene|Cyclopenta[de]naphthalene|EINECS 205-917-1|NSC 59821|UNII-1Z25C36811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023845
ERPathway2016 ERPathway2016_1372 Acenaphthylene 208-96-8 DTXSID3023845 ER Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=C3C1=CC=CC3=CC=C2 Acenaphthylene 208-96-8|Acenaphthylene|acenaftileno|acenaphthyene|Acenaphthylen|Acenaphtylene|Cyclopenta(de)naphthalene|Cyclopenta[de]naphthalene|EINECS 205-917-1|NSC 59821|UNII-1Z25C36811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023845
ERPathway2016 ERPathway2016_1372 Acenaphthylene 208-96-8 DTXSID3023845 ER Pathway Model, Agonist Call Inactive Unitless C1=CC2=C3C1=CC=CC3=CC=C2 Acenaphthylene 208-96-8|Acenaphthylene|acenaftileno|acenaphthyene|Acenaphthylen|Acenaphtylene|Cyclopenta(de)naphthalene|Cyclopenta[de]naphthalene|EINECS 205-917-1|NSC 59821|UNII-1Z25C36811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023845
ERPathway2016 ERPathway2016_1372 Acenaphthylene 208-96-8 DTXSID3023845 ER Pathway Model, Antagonist Call Inactive Unitless C1=CC2=C3C1=CC=CC3=CC=C2 Acenaphthylene 208-96-8|Acenaphthylene|acenaftileno|acenaphthyene|Acenaphthylen|Acenaphtylene|Cyclopenta(de)naphthalene|Cyclopenta[de]naphthalene|EINECS 205-917-1|NSC 59821|UNII-1Z25C36811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023845
ARPathway2016 ARPathway2016_1129 Acephate 30560-19-1 DTXSID8023846 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COP(=O)(NC(C)=O)SC Acephate 30560-19-1|Acephate|Acefate|acefato|Acephat|Acephate, technical|Acetamidophos|ACETYLPHOSPHORAMIDOTHIOATE, O,S-DIMETHYL|Acetylphosphoramidothioic acid O,S-dimethyl ester|BRN 1936365|Caswell No. 002A|Chevron Orthene|Chevron RE 12,420|EINECS 250-241-2|EPA Pesticide Chemical Code 103301|N-(Methoxy(methylthio)phosphinoyl)acetamide|O,S-dimethyl acetylamidothiophosphate|O,S-Dimethyl acetylphosphoramidothioate|O,S-Dimethyl N-acetylphosphoramidothioate|O,S-Dimethyl N-acetylphosphoramidothiolate|O,S-Dimethylacetylphosphoramidothioate|O,S-Dimethylacetylphosphoroamidothioate|Orthene|Orthene 75SP|Orthene PCO|Orthene S|Orthene TTO 97|Orthene-755|Ortho 124120|Payload|Phosphoramidothioic acid, acetyl-, O,S-dimethyl ester|Precise|UNII-3Y417O444D|115096-11-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023846
ARPathway2016 ARPathway2016_1129 Acephate 30560-19-1 DTXSID8023846 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COP(=O)(NC(C)=O)SC Acephate 30560-19-1|Acephate|Acefate|acefato|Acephat|Acephate, technical|Acetamidophos|ACETYLPHOSPHORAMIDOTHIOATE, O,S-DIMETHYL|Acetylphosphoramidothioic acid O,S-dimethyl ester|BRN 1936365|Caswell No. 002A|Chevron Orthene|Chevron RE 12,420|EINECS 250-241-2|EPA Pesticide Chemical Code 103301|N-(Methoxy(methylthio)phosphinoyl)acetamide|O,S-dimethyl acetylamidothiophosphate|O,S-Dimethyl acetylphosphoramidothioate|O,S-Dimethyl N-acetylphosphoramidothioate|O,S-Dimethyl N-acetylphosphoramidothiolate|O,S-Dimethylacetylphosphoramidothioate|O,S-Dimethylacetylphosphoroamidothioate|Orthene|Orthene 75SP|Orthene PCO|Orthene S|Orthene TTO 97|Orthene-755|Ortho 124120|Payload|Phosphoramidothioic acid, acetyl-, O,S-dimethyl ester|Precise|UNII-3Y417O444D|115096-11-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023846
ARPathway2016 ARPathway2016_1129 Acephate 30560-19-1 DTXSID8023846 0.0 AR Pathway Model, Agonist Call Inactive Unitless COP(=O)(NC(C)=O)SC Acephate 30560-19-1|Acephate|Acefate|acefato|Acephat|Acephate, technical|Acetamidophos|ACETYLPHOSPHORAMIDOTHIOATE, O,S-DIMETHYL|Acetylphosphoramidothioic acid O,S-dimethyl ester|BRN 1936365|Caswell No. 002A|Chevron Orthene|Chevron RE 12,420|EINECS 250-241-2|EPA Pesticide Chemical Code 103301|N-(Methoxy(methylthio)phosphinoyl)acetamide|O,S-dimethyl acetylamidothiophosphate|O,S-Dimethyl acetylphosphoramidothioate|O,S-Dimethyl N-acetylphosphoramidothioate|O,S-Dimethyl N-acetylphosphoramidothiolate|O,S-Dimethylacetylphosphoramidothioate|O,S-Dimethylacetylphosphoroamidothioate|Orthene|Orthene 75SP|Orthene PCO|Orthene S|Orthene TTO 97|Orthene-755|Ortho 124120|Payload|Phosphoramidothioic acid, acetyl-, O,S-dimethyl ester|Precise|UNII-3Y417O444D|115096-11-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023846
ARPathway2016 ARPathway2016_1129 Acephate 30560-19-1 DTXSID8023846 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COP(=O)(NC(C)=O)SC Acephate 30560-19-1|Acephate|Acefate|acefato|Acephat|Acephate, technical|Acetamidophos|ACETYLPHOSPHORAMIDOTHIOATE, O,S-DIMETHYL|Acetylphosphoramidothioic acid O,S-dimethyl ester|BRN 1936365|Caswell No. 002A|Chevron Orthene|Chevron RE 12,420|EINECS 250-241-2|EPA Pesticide Chemical Code 103301|N-(Methoxy(methylthio)phosphinoyl)acetamide|O,S-dimethyl acetylamidothiophosphate|O,S-Dimethyl acetylphosphoramidothioate|O,S-Dimethyl N-acetylphosphoramidothioate|O,S-Dimethyl N-acetylphosphoramidothiolate|O,S-Dimethylacetylphosphoramidothioate|O,S-Dimethylacetylphosphoroamidothioate|Orthene|Orthene 75SP|Orthene PCO|Orthene S|Orthene TTO 97|Orthene-755|Ortho 124120|Payload|Phosphoramidothioic acid, acetyl-, O,S-dimethyl ester|Precise|UNII-3Y417O444D|115096-11-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023846
ERPathway2016 ERPathway2016_1444 Acephate 30560-19-1 DTXSID8023846 ER Pathway Model, Agonist Model Score 0 Unitless COP(=O)(NC(C)=O)SC Acephate 30560-19-1|Acephate|Acefate|acefato|Acephat|Acephate, technical|Acetamidophos|ACETYLPHOSPHORAMIDOTHIOATE, O,S-DIMETHYL|Acetylphosphoramidothioic acid O,S-dimethyl ester|BRN 1936365|Caswell No. 002A|Chevron Orthene|Chevron RE 12,420|EINECS 250-241-2|EPA Pesticide Chemical Code 103301|N-(Methoxy(methylthio)phosphinoyl)acetamide|O,S-dimethyl acetylamidothiophosphate|O,S-Dimethyl acetylphosphoramidothioate|O,S-Dimethyl N-acetylphosphoramidothioate|O,S-Dimethyl N-acetylphosphoramidothiolate|O,S-Dimethylacetylphosphoramidothioate|O,S-Dimethylacetylphosphoroamidothioate|Orthene|Orthene 75SP|Orthene PCO|Orthene S|Orthene TTO 97|Orthene-755|Ortho 124120|Payload|Phosphoramidothioic acid, acetyl-, O,S-dimethyl ester|Precise|UNII-3Y417O444D|115096-11-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023846
ERPathway2016 ERPathway2016_1444 Acephate 30560-19-1 DTXSID8023846 ER Pathway Model, Antagonist Model Score 0 Unitless COP(=O)(NC(C)=O)SC Acephate 30560-19-1|Acephate|Acefate|acefato|Acephat|Acephate, technical|Acetamidophos|ACETYLPHOSPHORAMIDOTHIOATE, O,S-DIMETHYL|Acetylphosphoramidothioic acid O,S-dimethyl ester|BRN 1936365|Caswell No. 002A|Chevron Orthene|Chevron RE 12,420|EINECS 250-241-2|EPA Pesticide Chemical Code 103301|N-(Methoxy(methylthio)phosphinoyl)acetamide|O,S-dimethyl acetylamidothiophosphate|O,S-Dimethyl acetylphosphoramidothioate|O,S-Dimethyl N-acetylphosphoramidothioate|O,S-Dimethyl N-acetylphosphoramidothiolate|O,S-Dimethylacetylphosphoramidothioate|O,S-Dimethylacetylphosphoroamidothioate|Orthene|Orthene 75SP|Orthene PCO|Orthene S|Orthene TTO 97|Orthene-755|Ortho 124120|Payload|Phosphoramidothioic acid, acetyl-, O,S-dimethyl ester|Precise|UNII-3Y417O444D|115096-11-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023846
ERPathway2016 ERPathway2016_1444 Acephate 30560-19-1 DTXSID8023846 ER Pathway Model, Agonist Call Inactive Unitless COP(=O)(NC(C)=O)SC Acephate 30560-19-1|Acephate|Acefate|acefato|Acephat|Acephate, technical|Acetamidophos|ACETYLPHOSPHORAMIDOTHIOATE, O,S-DIMETHYL|Acetylphosphoramidothioic acid O,S-dimethyl ester|BRN 1936365|Caswell No. 002A|Chevron Orthene|Chevron RE 12,420|EINECS 250-241-2|EPA Pesticide Chemical Code 103301|N-(Methoxy(methylthio)phosphinoyl)acetamide|O,S-dimethyl acetylamidothiophosphate|O,S-Dimethyl acetylphosphoramidothioate|O,S-Dimethyl N-acetylphosphoramidothioate|O,S-Dimethyl N-acetylphosphoramidothiolate|O,S-Dimethylacetylphosphoramidothioate|O,S-Dimethylacetylphosphoroamidothioate|Orthene|Orthene 75SP|Orthene PCO|Orthene S|Orthene TTO 97|Orthene-755|Ortho 124120|Payload|Phosphoramidothioic acid, acetyl-, O,S-dimethyl ester|Precise|UNII-3Y417O444D|115096-11-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023846
ERPathway2016 ERPathway2016_1444 Acephate 30560-19-1 DTXSID8023846 ER Pathway Model, Antagonist Call Inactive Unitless COP(=O)(NC(C)=O)SC Acephate 30560-19-1|Acephate|Acefate|acefato|Acephat|Acephate, technical|Acetamidophos|ACETYLPHOSPHORAMIDOTHIOATE, O,S-DIMETHYL|Acetylphosphoramidothioic acid O,S-dimethyl ester|BRN 1936365|Caswell No. 002A|Chevron Orthene|Chevron RE 12,420|EINECS 250-241-2|EPA Pesticide Chemical Code 103301|N-(Methoxy(methylthio)phosphinoyl)acetamide|O,S-dimethyl acetylamidothiophosphate|O,S-Dimethyl acetylphosphoramidothioate|O,S-Dimethyl N-acetylphosphoramidothioate|O,S-Dimethyl N-acetylphosphoramidothiolate|O,S-Dimethylacetylphosphoramidothioate|O,S-Dimethylacetylphosphoroamidothioate|Orthene|Orthene 75SP|Orthene PCO|Orthene S|Orthene TTO 97|Orthene-755|Ortho 124120|Payload|Phosphoramidothioic acid, acetyl-, O,S-dimethyl ester|Precise|UNII-3Y417O444D|115096-11-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023846
ARPathway2016 ARPathway2016_1323 Acesulfame potassium 55589-62-3 DTXSID1030606 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 Acesulfame potassium 55589-62-3|Acesulfame potassium|1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt|1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt (1:1)|2,2-dioxido de 6-metil-1,2,3-oxatiazin-4(3H)-ona, sal de potasio|2,2-Dioxyde de 6-methyl-1,2,3-oxathiazin-4(3H)-one, sel de potassium|2,2-dioxyde de 6-methyl-1,2,3-oxathiazine-4(3H)-one, sel de potassium|6-Methyl-1,2,3-oxathiazin-4(3H)-on-2,2-dioxid, Kaliumsalz|6-Methyl-1,2,3-oxathiazin-4(3h)-one 2,2-dioxide potassium salt|6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide, potassium salt|6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide potassium salt|Acesulfam-K|Acesulfame K|Acesulfame-potassium|EINECS 259-715-3|Potassium 3,4-dihydro-6-methyl-1,2,3-oxathiazine-4-one-2,2-dioxide|Potassium acesulfame|Sunnett|Sweet One|1017787-12-0|124030-40-6|133249-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1030606 https://doi.org/10.22427/NTP-DATA-DTXSID1030606
ARPathway2016 ARPathway2016_1323 Acesulfame potassium 55589-62-3 DTXSID1030606 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 Acesulfame potassium 55589-62-3|Acesulfame potassium|1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt|1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt (1:1)|2,2-dioxido de 6-metil-1,2,3-oxatiazin-4(3H)-ona, sal de potasio|2,2-Dioxyde de 6-methyl-1,2,3-oxathiazin-4(3H)-one, sel de potassium|2,2-dioxyde de 6-methyl-1,2,3-oxathiazine-4(3H)-one, sel de potassium|6-Methyl-1,2,3-oxathiazin-4(3H)-on-2,2-dioxid, Kaliumsalz|6-Methyl-1,2,3-oxathiazin-4(3h)-one 2,2-dioxide potassium salt|6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide, potassium salt|6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide potassium salt|Acesulfam-K|Acesulfame K|Acesulfame-potassium|EINECS 259-715-3|Potassium 3,4-dihydro-6-methyl-1,2,3-oxathiazine-4-one-2,2-dioxide|Potassium acesulfame|Sunnett|Sweet One|1017787-12-0|124030-40-6|133249-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1030606 https://doi.org/10.22427/NTP-DATA-DTXSID1030606
ARPathway2016 ARPathway2016_1323 Acesulfame potassium 55589-62-3 DTXSID1030606 0.0 AR Pathway Model, Agonist Call Inactive Unitless [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 Acesulfame potassium 55589-62-3|Acesulfame potassium|1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt|1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt (1:1)|2,2-dioxido de 6-metil-1,2,3-oxatiazin-4(3H)-ona, sal de potasio|2,2-Dioxyde de 6-methyl-1,2,3-oxathiazin-4(3H)-one, sel de potassium|2,2-dioxyde de 6-methyl-1,2,3-oxathiazine-4(3H)-one, sel de potassium|6-Methyl-1,2,3-oxathiazin-4(3H)-on-2,2-dioxid, Kaliumsalz|6-Methyl-1,2,3-oxathiazin-4(3h)-one 2,2-dioxide potassium salt|6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide, potassium salt|6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide potassium salt|Acesulfam-K|Acesulfame K|Acesulfame-potassium|EINECS 259-715-3|Potassium 3,4-dihydro-6-methyl-1,2,3-oxathiazine-4-one-2,2-dioxide|Potassium acesulfame|Sunnett|Sweet One|1017787-12-0|124030-40-6|133249-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1030606 https://doi.org/10.22427/NTP-DATA-DTXSID1030606
ARPathway2016 ARPathway2016_1323 Acesulfame potassium 55589-62-3 DTXSID1030606 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 Acesulfame potassium 55589-62-3|Acesulfame potassium|1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt|1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt (1:1)|2,2-dioxido de 6-metil-1,2,3-oxatiazin-4(3H)-ona, sal de potasio|2,2-Dioxyde de 6-methyl-1,2,3-oxathiazin-4(3H)-one, sel de potassium|2,2-dioxyde de 6-methyl-1,2,3-oxathiazine-4(3H)-one, sel de potassium|6-Methyl-1,2,3-oxathiazin-4(3H)-on-2,2-dioxid, Kaliumsalz|6-Methyl-1,2,3-oxathiazin-4(3h)-one 2,2-dioxide potassium salt|6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide, potassium salt|6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide potassium salt|Acesulfam-K|Acesulfame K|Acesulfame-potassium|EINECS 259-715-3|Potassium 3,4-dihydro-6-methyl-1,2,3-oxathiazine-4-one-2,2-dioxide|Potassium acesulfame|Sunnett|Sweet One|1017787-12-0|124030-40-6|133249-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1030606 https://doi.org/10.22427/NTP-DATA-DTXSID1030606
ERPathway2016 ERPathway2016_1536 Acesulfame potassium 55589-62-3 DTXSID1030606 ER Pathway Model, Agonist Model Score 0 Unitless [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 Acesulfame potassium 55589-62-3|Acesulfame potassium|1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt|1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt (1:1)|2,2-dioxido de 6-metil-1,2,3-oxatiazin-4(3H)-ona, sal de potasio|2,2-Dioxyde de 6-methyl-1,2,3-oxathiazin-4(3H)-one, sel de potassium|2,2-dioxyde de 6-methyl-1,2,3-oxathiazine-4(3H)-one, sel de potassium|6-Methyl-1,2,3-oxathiazin-4(3H)-on-2,2-dioxid, Kaliumsalz|6-Methyl-1,2,3-oxathiazin-4(3h)-one 2,2-dioxide potassium salt|6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide, potassium salt|6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide potassium salt|Acesulfam-K|Acesulfame K|Acesulfame-potassium|EINECS 259-715-3|Potassium 3,4-dihydro-6-methyl-1,2,3-oxathiazine-4-one-2,2-dioxide|Potassium acesulfame|Sunnett|Sweet One|1017787-12-0|124030-40-6|133249-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1030606 https://doi.org/10.22427/NTP-DATA-DTXSID1030606
ERPathway2016 ERPathway2016_1536 Acesulfame potassium 55589-62-3 DTXSID1030606 ER Pathway Model, Antagonist Model Score 0 Unitless [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 Acesulfame potassium 55589-62-3|Acesulfame potassium|1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt|1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt (1:1)|2,2-dioxido de 6-metil-1,2,3-oxatiazin-4(3H)-ona, sal de potasio|2,2-Dioxyde de 6-methyl-1,2,3-oxathiazin-4(3H)-one, sel de potassium|2,2-dioxyde de 6-methyl-1,2,3-oxathiazine-4(3H)-one, sel de potassium|6-Methyl-1,2,3-oxathiazin-4(3H)-on-2,2-dioxid, Kaliumsalz|6-Methyl-1,2,3-oxathiazin-4(3h)-one 2,2-dioxide potassium salt|6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide, potassium salt|6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide potassium salt|Acesulfam-K|Acesulfame K|Acesulfame-potassium|EINECS 259-715-3|Potassium 3,4-dihydro-6-methyl-1,2,3-oxathiazine-4-one-2,2-dioxide|Potassium acesulfame|Sunnett|Sweet One|1017787-12-0|124030-40-6|133249-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1030606 https://doi.org/10.22427/NTP-DATA-DTXSID1030606
ERPathway2016 ERPathway2016_1536 Acesulfame potassium 55589-62-3 DTXSID1030606 ER Pathway Model, Agonist Call Inactive Unitless [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 Acesulfame potassium 55589-62-3|Acesulfame potassium|1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt|1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt (1:1)|2,2-dioxido de 6-metil-1,2,3-oxatiazin-4(3H)-ona, sal de potasio|2,2-Dioxyde de 6-methyl-1,2,3-oxathiazin-4(3H)-one, sel de potassium|2,2-dioxyde de 6-methyl-1,2,3-oxathiazine-4(3H)-one, sel de potassium|6-Methyl-1,2,3-oxathiazin-4(3H)-on-2,2-dioxid, Kaliumsalz|6-Methyl-1,2,3-oxathiazin-4(3h)-one 2,2-dioxide potassium salt|6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide, potassium salt|6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide potassium salt|Acesulfam-K|Acesulfame K|Acesulfame-potassium|EINECS 259-715-3|Potassium 3,4-dihydro-6-methyl-1,2,3-oxathiazine-4-one-2,2-dioxide|Potassium acesulfame|Sunnett|Sweet One|1017787-12-0|124030-40-6|133249-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1030606 https://doi.org/10.22427/NTP-DATA-DTXSID1030606
ERPathway2016 ERPathway2016_1536 Acesulfame potassium 55589-62-3 DTXSID1030606 ER Pathway Model, Antagonist Call Inactive Unitless [K+].CC1=CC(=O)[N-]S(=O)(=O)O1 Acesulfame potassium 55589-62-3|Acesulfame potassium|1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt|1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, potassium salt (1:1)|2,2-dioxido de 6-metil-1,2,3-oxatiazin-4(3H)-ona, sal de potasio|2,2-Dioxyde de 6-methyl-1,2,3-oxathiazin-4(3H)-one, sel de potassium|2,2-dioxyde de 6-methyl-1,2,3-oxathiazine-4(3H)-one, sel de potassium|6-Methyl-1,2,3-oxathiazin-4(3H)-on-2,2-dioxid, Kaliumsalz|6-Methyl-1,2,3-oxathiazin-4(3h)-one 2,2-dioxide potassium salt|6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide, potassium salt|6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide potassium salt|Acesulfam-K|Acesulfame K|Acesulfame-potassium|EINECS 259-715-3|Potassium 3,4-dihydro-6-methyl-1,2,3-oxathiazine-4-one-2,2-dioxide|Potassium acesulfame|Sunnett|Sweet One|1017787-12-0|124030-40-6|133249-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1030606 https://doi.org/10.22427/NTP-DATA-DTXSID1030606
ARPathway2016 ARPathway2016_1389 Acetamide 60-35-5 DTXSID7020005 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(N)=O Acetamide 60-35-5|Acetamide|4-02-00-00399|Acetamid|acetamida|Acetic acid amide|Acetimidic acid|Acetimidic acid (van)|ACM|Amid kyseliny octove|Azetamid|BRN 1071207|Caswell No. 003H|CH3CONH2|EINECS 200-473-5|Essigsaeureamid|Ethanamid|Ethanamide|Ethanimidic acid|Methanecarboxamide|NCI-C02108|NSC 25945|UNII-8XOE1JSO29 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020005 https://doi.org/10.22427/NTP-DATA-DTXSID7020005
ARPathway2016 ARPathway2016_1389 Acetamide 60-35-5 DTXSID7020005 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(N)=O Acetamide 60-35-5|Acetamide|4-02-00-00399|Acetamid|acetamida|Acetic acid amide|Acetimidic acid|Acetimidic acid (van)|ACM|Amid kyseliny octove|Azetamid|BRN 1071207|Caswell No. 003H|CH3CONH2|EINECS 200-473-5|Essigsaeureamid|Ethanamid|Ethanamide|Ethanimidic acid|Methanecarboxamide|NCI-C02108|NSC 25945|UNII-8XOE1JSO29 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020005 https://doi.org/10.22427/NTP-DATA-DTXSID7020005
ARPathway2016 ARPathway2016_1389 Acetamide 60-35-5 DTXSID7020005 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(N)=O Acetamide 60-35-5|Acetamide|4-02-00-00399|Acetamid|acetamida|Acetic acid amide|Acetimidic acid|Acetimidic acid (van)|ACM|Amid kyseliny octove|Azetamid|BRN 1071207|Caswell No. 003H|CH3CONH2|EINECS 200-473-5|Essigsaeureamid|Ethanamid|Ethanamide|Ethanimidic acid|Methanecarboxamide|NCI-C02108|NSC 25945|UNII-8XOE1JSO29 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020005 https://doi.org/10.22427/NTP-DATA-DTXSID7020005
ARPathway2016 ARPathway2016_1389 Acetamide 60-35-5 DTXSID7020005 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(N)=O Acetamide 60-35-5|Acetamide|4-02-00-00399|Acetamid|acetamida|Acetic acid amide|Acetimidic acid|Acetimidic acid (van)|ACM|Amid kyseliny octove|Azetamid|BRN 1071207|Caswell No. 003H|CH3CONH2|EINECS 200-473-5|Essigsaeureamid|Ethanamid|Ethanamide|Ethanimidic acid|Methanecarboxamide|NCI-C02108|NSC 25945|UNII-8XOE1JSO29 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020005 https://doi.org/10.22427/NTP-DATA-DTXSID7020005
ERPathway2016 ERPathway2016_1569 Acetamide 60-35-5 DTXSID7020005 ER Pathway Model, Agonist Model Score 0 Unitless CC(N)=O Acetamide 60-35-5|Acetamide|4-02-00-00399|Acetamid|acetamida|Acetic acid amide|Acetimidic acid|Acetimidic acid (van)|ACM|Amid kyseliny octove|Azetamid|BRN 1071207|Caswell No. 003H|CH3CONH2|EINECS 200-473-5|Essigsaeureamid|Ethanamid|Ethanamide|Ethanimidic acid|Methanecarboxamide|NCI-C02108|NSC 25945|UNII-8XOE1JSO29 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020005 https://doi.org/10.22427/NTP-DATA-DTXSID7020005
ERPathway2016 ERPathway2016_1569 Acetamide 60-35-5 DTXSID7020005 ER Pathway Model, Antagonist Model Score 0 Unitless CC(N)=O Acetamide 60-35-5|Acetamide|4-02-00-00399|Acetamid|acetamida|Acetic acid amide|Acetimidic acid|Acetimidic acid (van)|ACM|Amid kyseliny octove|Azetamid|BRN 1071207|Caswell No. 003H|CH3CONH2|EINECS 200-473-5|Essigsaeureamid|Ethanamid|Ethanamide|Ethanimidic acid|Methanecarboxamide|NCI-C02108|NSC 25945|UNII-8XOE1JSO29 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020005 https://doi.org/10.22427/NTP-DATA-DTXSID7020005
ERPathway2016 ERPathway2016_1569 Acetamide 60-35-5 DTXSID7020005 ER Pathway Model, Agonist Call Inactive Unitless CC(N)=O Acetamide 60-35-5|Acetamide|4-02-00-00399|Acetamid|acetamida|Acetic acid amide|Acetimidic acid|Acetimidic acid (van)|ACM|Amid kyseliny octove|Azetamid|BRN 1071207|Caswell No. 003H|CH3CONH2|EINECS 200-473-5|Essigsaeureamid|Ethanamid|Ethanamide|Ethanimidic acid|Methanecarboxamide|NCI-C02108|NSC 25945|UNII-8XOE1JSO29 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020005 https://doi.org/10.22427/NTP-DATA-DTXSID7020005
ERPathway2016 ERPathway2016_1569 Acetamide 60-35-5 DTXSID7020005 ER Pathway Model, Antagonist Call Inactive Unitless CC(N)=O Acetamide 60-35-5|Acetamide|4-02-00-00399|Acetamid|acetamida|Acetic acid amide|Acetimidic acid|Acetimidic acid (van)|ACM|Amid kyseliny octove|Azetamid|BRN 1071207|Caswell No. 003H|CH3CONH2|EINECS 200-473-5|Essigsaeureamid|Ethanamid|Ethanamide|Ethanimidic acid|Methanecarboxamide|NCI-C02108|NSC 25945|UNII-8XOE1JSO29 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020005 https://doi.org/10.22427/NTP-DATA-DTXSID7020005
ARPathway2016 ARPathway2016_442 Acetaminophen 103-90-2 DTXSID2020006 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)NC1=CC=C(O)C=C1 Acetaminophen 103-90-2|Acetaminophen|203-157-5|4-(Acetylamino)phenol|4-(N-Acetylamino)phenol|4-13-00-01091|4-Acetamidophenol|4-Acetaminophenol|4-hydroxyacetanilide|4-Hydroxyanilid kyseliny octove|4'-Hydroxyacetanilide|A-Per|A.F. Anacin|Abenol|Abensanil|Abrol|Abrolet|Acamol|Accu-Tap|Acenol|Acephen|Acertol|Aceta Elixir|Aceta Tablets|Acetaco|Acetagesic|Acetalgin|ACETAMIDE, N-(4-HYDROXYPHENYL)|Acetamide, N-(4-hydroxyphenyl)-|Acetamide, N-(p-hydroxyphenyl)-|Acetaminofen|Acetaminophen Uniserts|acetaminophene|Acetamol|ACETANILIDE, 4-HYDROXY-|Acetanilide, 4'-hydroxy-|Acetofen|Actamin|Actamin Extra|Actamin Super|Actifed Plus|Actimol Chewable Tablets|Actimol Children'S Suspension|Actimol Infants' Suspension|Actimol Junior Strength Caplets|Actron|Afebrin|Afebryl|Aferadol|Algesidal|Algina|Algomol|Algotropyl|Allay|alpha-Per|Alpiny|Alpinyl|Alvedon|Amadil|Aminofen|Aminofen Max|Anacin-3|Anacin-3 Extra Strength|Anadin dla dzieci|Anaflon|Analter|Anapap|Andox|Anelix|Anexsia|Anexsia 10/660|Anexsia 5/325|Anexsia 7.5/325|Anexsia 7.5/650|Anhiba|Anoquan|Anti-Algos|Anti|719293-04-6|8055-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020006 https://doi.org/10.22427/NTP-DATA-DTXSID2020006
ARPathway2016 ARPathway2016_442 Acetaminophen 103-90-2 DTXSID2020006 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)NC1=CC=C(O)C=C1 Acetaminophen 103-90-2|Acetaminophen|203-157-5|4-(Acetylamino)phenol|4-(N-Acetylamino)phenol|4-13-00-01091|4-Acetamidophenol|4-Acetaminophenol|4-hydroxyacetanilide|4-Hydroxyanilid kyseliny octove|4'-Hydroxyacetanilide|A-Per|A.F. Anacin|Abenol|Abensanil|Abrol|Abrolet|Acamol|Accu-Tap|Acenol|Acephen|Acertol|Aceta Elixir|Aceta Tablets|Acetaco|Acetagesic|Acetalgin|ACETAMIDE, N-(4-HYDROXYPHENYL)|Acetamide, N-(4-hydroxyphenyl)-|Acetamide, N-(p-hydroxyphenyl)-|Acetaminofen|Acetaminophen Uniserts|acetaminophene|Acetamol|ACETANILIDE, 4-HYDROXY-|Acetanilide, 4'-hydroxy-|Acetofen|Actamin|Actamin Extra|Actamin Super|Actifed Plus|Actimol Chewable Tablets|Actimol Children'S Suspension|Actimol Infants' Suspension|Actimol Junior Strength Caplets|Actron|Afebrin|Afebryl|Aferadol|Algesidal|Algina|Algomol|Algotropyl|Allay|alpha-Per|Alpiny|Alpinyl|Alvedon|Amadil|Aminofen|Aminofen Max|Anacin-3|Anacin-3 Extra Strength|Anadin dla dzieci|Anaflon|Analter|Anapap|Andox|Anelix|Anexsia|Anexsia 10/660|Anexsia 5/325|Anexsia 7.5/325|Anexsia 7.5/650|Anhiba|Anoquan|Anti-Algos|Anti|719293-04-6|8055-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020006 https://doi.org/10.22427/NTP-DATA-DTXSID2020006
ARPathway2016 ARPathway2016_442 Acetaminophen 103-90-2 DTXSID2020006 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)NC1=CC=C(O)C=C1 Acetaminophen 103-90-2|Acetaminophen|203-157-5|4-(Acetylamino)phenol|4-(N-Acetylamino)phenol|4-13-00-01091|4-Acetamidophenol|4-Acetaminophenol|4-hydroxyacetanilide|4-Hydroxyanilid kyseliny octove|4'-Hydroxyacetanilide|A-Per|A.F. Anacin|Abenol|Abensanil|Abrol|Abrolet|Acamol|Accu-Tap|Acenol|Acephen|Acertol|Aceta Elixir|Aceta Tablets|Acetaco|Acetagesic|Acetalgin|ACETAMIDE, N-(4-HYDROXYPHENYL)|Acetamide, N-(4-hydroxyphenyl)-|Acetamide, N-(p-hydroxyphenyl)-|Acetaminofen|Acetaminophen Uniserts|acetaminophene|Acetamol|ACETANILIDE, 4-HYDROXY-|Acetanilide, 4'-hydroxy-|Acetofen|Actamin|Actamin Extra|Actamin Super|Actifed Plus|Actimol Chewable Tablets|Actimol Children'S Suspension|Actimol Infants' Suspension|Actimol Junior Strength Caplets|Actron|Afebrin|Afebryl|Aferadol|Algesidal|Algina|Algomol|Algotropyl|Allay|alpha-Per|Alpiny|Alpinyl|Alvedon|Amadil|Aminofen|Aminofen Max|Anacin-3|Anacin-3 Extra Strength|Anadin dla dzieci|Anaflon|Analter|Anapap|Andox|Anelix|Anexsia|Anexsia 10/660|Anexsia 5/325|Anexsia 7.5/325|Anexsia 7.5/650|Anhiba|Anoquan|Anti-Algos|Anti|719293-04-6|8055-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020006 https://doi.org/10.22427/NTP-DATA-DTXSID2020006
ARPathway2016 ARPathway2016_442 Acetaminophen 103-90-2 DTXSID2020006 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)NC1=CC=C(O)C=C1 Acetaminophen 103-90-2|Acetaminophen|203-157-5|4-(Acetylamino)phenol|4-(N-Acetylamino)phenol|4-13-00-01091|4-Acetamidophenol|4-Acetaminophenol|4-hydroxyacetanilide|4-Hydroxyanilid kyseliny octove|4'-Hydroxyacetanilide|A-Per|A.F. Anacin|Abenol|Abensanil|Abrol|Abrolet|Acamol|Accu-Tap|Acenol|Acephen|Acertol|Aceta Elixir|Aceta Tablets|Acetaco|Acetagesic|Acetalgin|ACETAMIDE, N-(4-HYDROXYPHENYL)|Acetamide, N-(4-hydroxyphenyl)-|Acetamide, N-(p-hydroxyphenyl)-|Acetaminofen|Acetaminophen Uniserts|acetaminophene|Acetamol|ACETANILIDE, 4-HYDROXY-|Acetanilide, 4'-hydroxy-|Acetofen|Actamin|Actamin Extra|Actamin Super|Actifed Plus|Actimol Chewable Tablets|Actimol Children'S Suspension|Actimol Infants' Suspension|Actimol Junior Strength Caplets|Actron|Afebrin|Afebryl|Aferadol|Algesidal|Algina|Algomol|Algotropyl|Allay|alpha-Per|Alpiny|Alpinyl|Alvedon|Amadil|Aminofen|Aminofen Max|Anacin-3|Anacin-3 Extra Strength|Anadin dla dzieci|Anaflon|Analter|Anapap|Andox|Anelix|Anexsia|Anexsia 10/660|Anexsia 5/325|Anexsia 7.5/325|Anexsia 7.5/650|Anhiba|Anoquan|Anti-Algos|Anti|719293-04-6|8055-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020006 https://doi.org/10.22427/NTP-DATA-DTXSID2020006
ERPathway2016 ERPathway2016_1073 Acetaminophen 103-90-2 DTXSID2020006 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)NC1=CC=C(O)C=C1 Acetaminophen 103-90-2|Acetaminophen|203-157-5|4-(Acetylamino)phenol|4-(N-Acetylamino)phenol|4-13-00-01091|4-Acetamidophenol|4-Acetaminophenol|4-hydroxyacetanilide|4-Hydroxyanilid kyseliny octove|4'-Hydroxyacetanilide|A-Per|A.F. Anacin|Abenol|Abensanil|Abrol|Abrolet|Acamol|Accu-Tap|Acenol|Acephen|Acertol|Aceta Elixir|Aceta Tablets|Acetaco|Acetagesic|Acetalgin|ACETAMIDE, N-(4-HYDROXYPHENYL)|Acetamide, N-(4-hydroxyphenyl)-|Acetamide, N-(p-hydroxyphenyl)-|Acetaminofen|Acetaminophen Uniserts|acetaminophene|Acetamol|ACETANILIDE, 4-HYDROXY-|Acetanilide, 4'-hydroxy-|Acetofen|Actamin|Actamin Extra|Actamin Super|Actifed Plus|Actimol Chewable Tablets|Actimol Children'S Suspension|Actimol Infants' Suspension|Actimol Junior Strength Caplets|Actron|Afebrin|Afebryl|Aferadol|Algesidal|Algina|Algomol|Algotropyl|Allay|alpha-Per|Alpiny|Alpinyl|Alvedon|Amadil|Aminofen|Aminofen Max|Anacin-3|Anacin-3 Extra Strength|Anadin dla dzieci|Anaflon|Analter|Anapap|Andox|Anelix|Anexsia|Anexsia 10/660|Anexsia 5/325|Anexsia 7.5/325|Anexsia 7.5/650|Anhiba|Anoquan|Anti-Algos|Anti|719293-04-6|8055-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020006 https://doi.org/10.22427/NTP-DATA-DTXSID2020006
ERPathway2016 ERPathway2016_1073 Acetaminophen 103-90-2 DTXSID2020006 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)NC1=CC=C(O)C=C1 Acetaminophen 103-90-2|Acetaminophen|203-157-5|4-(Acetylamino)phenol|4-(N-Acetylamino)phenol|4-13-00-01091|4-Acetamidophenol|4-Acetaminophenol|4-hydroxyacetanilide|4-Hydroxyanilid kyseliny octove|4'-Hydroxyacetanilide|A-Per|A.F. Anacin|Abenol|Abensanil|Abrol|Abrolet|Acamol|Accu-Tap|Acenol|Acephen|Acertol|Aceta Elixir|Aceta Tablets|Acetaco|Acetagesic|Acetalgin|ACETAMIDE, N-(4-HYDROXYPHENYL)|Acetamide, N-(4-hydroxyphenyl)-|Acetamide, N-(p-hydroxyphenyl)-|Acetaminofen|Acetaminophen Uniserts|acetaminophene|Acetamol|ACETANILIDE, 4-HYDROXY-|Acetanilide, 4'-hydroxy-|Acetofen|Actamin|Actamin Extra|Actamin Super|Actifed Plus|Actimol Chewable Tablets|Actimol Children'S Suspension|Actimol Infants' Suspension|Actimol Junior Strength Caplets|Actron|Afebrin|Afebryl|Aferadol|Algesidal|Algina|Algomol|Algotropyl|Allay|alpha-Per|Alpiny|Alpinyl|Alvedon|Amadil|Aminofen|Aminofen Max|Anacin-3|Anacin-3 Extra Strength|Anadin dla dzieci|Anaflon|Analter|Anapap|Andox|Anelix|Anexsia|Anexsia 10/660|Anexsia 5/325|Anexsia 7.5/325|Anexsia 7.5/650|Anhiba|Anoquan|Anti-Algos|Anti|719293-04-6|8055-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020006 https://doi.org/10.22427/NTP-DATA-DTXSID2020006
ERPathway2016 ERPathway2016_1073 Acetaminophen 103-90-2 DTXSID2020006 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)NC1=CC=C(O)C=C1 Acetaminophen 103-90-2|Acetaminophen|203-157-5|4-(Acetylamino)phenol|4-(N-Acetylamino)phenol|4-13-00-01091|4-Acetamidophenol|4-Acetaminophenol|4-hydroxyacetanilide|4-Hydroxyanilid kyseliny octove|4'-Hydroxyacetanilide|A-Per|A.F. Anacin|Abenol|Abensanil|Abrol|Abrolet|Acamol|Accu-Tap|Acenol|Acephen|Acertol|Aceta Elixir|Aceta Tablets|Acetaco|Acetagesic|Acetalgin|ACETAMIDE, N-(4-HYDROXYPHENYL)|Acetamide, N-(4-hydroxyphenyl)-|Acetamide, N-(p-hydroxyphenyl)-|Acetaminofen|Acetaminophen Uniserts|acetaminophene|Acetamol|ACETANILIDE, 4-HYDROXY-|Acetanilide, 4'-hydroxy-|Acetofen|Actamin|Actamin Extra|Actamin Super|Actifed Plus|Actimol Chewable Tablets|Actimol Children'S Suspension|Actimol Infants' Suspension|Actimol Junior Strength Caplets|Actron|Afebrin|Afebryl|Aferadol|Algesidal|Algina|Algomol|Algotropyl|Allay|alpha-Per|Alpiny|Alpinyl|Alvedon|Amadil|Aminofen|Aminofen Max|Anacin-3|Anacin-3 Extra Strength|Anadin dla dzieci|Anaflon|Analter|Anapap|Andox|Anelix|Anexsia|Anexsia 10/660|Anexsia 5/325|Anexsia 7.5/325|Anexsia 7.5/650|Anhiba|Anoquan|Anti-Algos|Anti|719293-04-6|8055-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020006 https://doi.org/10.22427/NTP-DATA-DTXSID2020006
ERPathway2016 ERPathway2016_1073 Acetaminophen 103-90-2 DTXSID2020006 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)NC1=CC=C(O)C=C1 Acetaminophen 103-90-2|Acetaminophen|203-157-5|4-(Acetylamino)phenol|4-(N-Acetylamino)phenol|4-13-00-01091|4-Acetamidophenol|4-Acetaminophenol|4-hydroxyacetanilide|4-Hydroxyanilid kyseliny octove|4'-Hydroxyacetanilide|A-Per|A.F. Anacin|Abenol|Abensanil|Abrol|Abrolet|Acamol|Accu-Tap|Acenol|Acephen|Acertol|Aceta Elixir|Aceta Tablets|Acetaco|Acetagesic|Acetalgin|ACETAMIDE, N-(4-HYDROXYPHENYL)|Acetamide, N-(4-hydroxyphenyl)-|Acetamide, N-(p-hydroxyphenyl)-|Acetaminofen|Acetaminophen Uniserts|acetaminophene|Acetamol|ACETANILIDE, 4-HYDROXY-|Acetanilide, 4'-hydroxy-|Acetofen|Actamin|Actamin Extra|Actamin Super|Actifed Plus|Actimol Chewable Tablets|Actimol Children'S Suspension|Actimol Infants' Suspension|Actimol Junior Strength Caplets|Actron|Afebrin|Afebryl|Aferadol|Algesidal|Algina|Algomol|Algotropyl|Allay|alpha-Per|Alpiny|Alpinyl|Alvedon|Amadil|Aminofen|Aminofen Max|Anacin-3|Anacin-3 Extra Strength|Anadin dla dzieci|Anaflon|Analter|Anapap|Andox|Anelix|Anexsia|Anexsia 10/660|Anexsia 5/325|Anexsia 7.5/325|Anexsia 7.5/650|Anhiba|Anoquan|Anti-Algos|Anti|719293-04-6|8055-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020006 https://doi.org/10.22427/NTP-DATA-DTXSID2020006
ARPathway2016 ARPathway2016_802 Acetamiprid 135410-20-7 DTXSID0034300 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(CC1=CN=C(Cl)C=C1)C(C)=NC#N Acetamiprid 135410-20-7|Acetamiprid|(1E)-N-[(6-Chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide|(1E)-N-[(6-Chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide|(E)-acetamiprid|(E)-N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide|(E)-N-((6-Chloro-3-pyridyl)methyl)-N-cyano-N-methylacetamidine|(E)-N-(1-{N-[(6-Chloro-3-pyridyl)methyl]-N-methylamino}ethylidene)carbamonitrile|(E)-N-(6-chloro-3-pyridyl)methyl-N'-cyano-N-methylacetamidine|(E)-N-[(6-Chloro-3-pyridyl)methyl]-N-cyano-N-methylacetamidine|(E)-N-[(6-Chloro-3-pyridyl)methyl]-N'-cyano-N-methylaceta midine|(E)-N1-[(6-chloro-3-pyridyl)methyl]-N2-cyano-N1-methylacetamidine|Acelan 20|Acelan 20SL|Acelan 20SP|ADA 06200|Assail|Assail 30SG|BY 102960|EC No.: 603-921-1|EC No.: 927-291-5|Epik 20 SG|Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-, (1E)-|Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-, (E)-|Gazelle SG|Intruder|Mospilan|Mospilan 20SG|Mospilan 20SP|Mospilan SG|Mukhnet A|NFK 17|NI 25 (pesticide)|NI-25|Piorun|Pristine|Pris|152949-80-9|468644-47-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034300
ARPathway2016 ARPathway2016_802 Acetamiprid 135410-20-7 DTXSID0034300 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(CC1=CN=C(Cl)C=C1)C(C)=NC#N Acetamiprid 135410-20-7|Acetamiprid|(1E)-N-[(6-Chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide|(1E)-N-[(6-Chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide|(E)-acetamiprid|(E)-N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide|(E)-N-((6-Chloro-3-pyridyl)methyl)-N-cyano-N-methylacetamidine|(E)-N-(1-{N-[(6-Chloro-3-pyridyl)methyl]-N-methylamino}ethylidene)carbamonitrile|(E)-N-(6-chloro-3-pyridyl)methyl-N'-cyano-N-methylacetamidine|(E)-N-[(6-Chloro-3-pyridyl)methyl]-N-cyano-N-methylacetamidine|(E)-N-[(6-Chloro-3-pyridyl)methyl]-N'-cyano-N-methylaceta midine|(E)-N1-[(6-chloro-3-pyridyl)methyl]-N2-cyano-N1-methylacetamidine|Acelan 20|Acelan 20SL|Acelan 20SP|ADA 06200|Assail|Assail 30SG|BY 102960|EC No.: 603-921-1|EC No.: 927-291-5|Epik 20 SG|Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-, (1E)-|Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-, (E)-|Gazelle SG|Intruder|Mospilan|Mospilan 20SG|Mospilan 20SP|Mospilan SG|Mukhnet A|NFK 17|NI 25 (pesticide)|NI-25|Piorun|Pristine|Pris|152949-80-9|468644-47-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034300
ARPathway2016 ARPathway2016_802 Acetamiprid 135410-20-7 DTXSID0034300 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN(CC1=CN=C(Cl)C=C1)C(C)=NC#N Acetamiprid 135410-20-7|Acetamiprid|(1E)-N-[(6-Chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide|(1E)-N-[(6-Chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide|(E)-acetamiprid|(E)-N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide|(E)-N-((6-Chloro-3-pyridyl)methyl)-N-cyano-N-methylacetamidine|(E)-N-(1-{N-[(6-Chloro-3-pyridyl)methyl]-N-methylamino}ethylidene)carbamonitrile|(E)-N-(6-chloro-3-pyridyl)methyl-N'-cyano-N-methylacetamidine|(E)-N-[(6-Chloro-3-pyridyl)methyl]-N-cyano-N-methylacetamidine|(E)-N-[(6-Chloro-3-pyridyl)methyl]-N'-cyano-N-methylaceta midine|(E)-N1-[(6-chloro-3-pyridyl)methyl]-N2-cyano-N1-methylacetamidine|Acelan 20|Acelan 20SL|Acelan 20SP|ADA 06200|Assail|Assail 30SG|BY 102960|EC No.: 603-921-1|EC No.: 927-291-5|Epik 20 SG|Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-, (1E)-|Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-, (E)-|Gazelle SG|Intruder|Mospilan|Mospilan 20SG|Mospilan 20SP|Mospilan SG|Mukhnet A|NFK 17|NI 25 (pesticide)|NI-25|Piorun|Pristine|Pris|152949-80-9|468644-47-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034300
ARPathway2016 ARPathway2016_802 Acetamiprid 135410-20-7 DTXSID0034300 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(CC1=CN=C(Cl)C=C1)C(C)=NC#N Acetamiprid 135410-20-7|Acetamiprid|(1E)-N-[(6-Chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide|(1E)-N-[(6-Chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide|(E)-acetamiprid|(E)-N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide|(E)-N-((6-Chloro-3-pyridyl)methyl)-N-cyano-N-methylacetamidine|(E)-N-(1-{N-[(6-Chloro-3-pyridyl)methyl]-N-methylamino}ethylidene)carbamonitrile|(E)-N-(6-chloro-3-pyridyl)methyl-N'-cyano-N-methylacetamidine|(E)-N-[(6-Chloro-3-pyridyl)methyl]-N-cyano-N-methylacetamidine|(E)-N-[(6-Chloro-3-pyridyl)methyl]-N'-cyano-N-methylaceta midine|(E)-N1-[(6-chloro-3-pyridyl)methyl]-N2-cyano-N1-methylacetamidine|Acelan 20|Acelan 20SL|Acelan 20SP|ADA 06200|Assail|Assail 30SG|BY 102960|EC No.: 603-921-1|EC No.: 927-291-5|Epik 20 SG|Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-, (1E)-|Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-, (E)-|Gazelle SG|Intruder|Mospilan|Mospilan 20SG|Mospilan 20SP|Mospilan SG|Mukhnet A|NFK 17|NI 25 (pesticide)|NI-25|Piorun|Pristine|Pris|152949-80-9|468644-47-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034300
ERPathway2016 ERPathway2016_1282 Acetamiprid 135410-20-7 DTXSID0034300 ER Pathway Model, Agonist Model Score 0 Unitless CN(CC1=CN=C(Cl)C=C1)C(C)=NC#N Acetamiprid 135410-20-7|Acetamiprid|(1E)-N-[(6-Chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide|(1E)-N-[(6-Chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide|(E)-acetamiprid|(E)-N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide|(E)-N-((6-Chloro-3-pyridyl)methyl)-N-cyano-N-methylacetamidine|(E)-N-(1-{N-[(6-Chloro-3-pyridyl)methyl]-N-methylamino}ethylidene)carbamonitrile|(E)-N-(6-chloro-3-pyridyl)methyl-N'-cyano-N-methylacetamidine|(E)-N-[(6-Chloro-3-pyridyl)methyl]-N-cyano-N-methylacetamidine|(E)-N-[(6-Chloro-3-pyridyl)methyl]-N'-cyano-N-methylaceta midine|(E)-N1-[(6-chloro-3-pyridyl)methyl]-N2-cyano-N1-methylacetamidine|Acelan 20|Acelan 20SL|Acelan 20SP|ADA 06200|Assail|Assail 30SG|BY 102960|EC No.: 603-921-1|EC No.: 927-291-5|Epik 20 SG|Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-, (1E)-|Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-, (E)-|Gazelle SG|Intruder|Mospilan|Mospilan 20SG|Mospilan 20SP|Mospilan SG|Mukhnet A|NFK 17|NI 25 (pesticide)|NI-25|Piorun|Pristine|Pris|152949-80-9|468644-47-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034300
ERPathway2016 ERPathway2016_1282 Acetamiprid 135410-20-7 DTXSID0034300 ER Pathway Model, Antagonist Model Score 0 Unitless CN(CC1=CN=C(Cl)C=C1)C(C)=NC#N Acetamiprid 135410-20-7|Acetamiprid|(1E)-N-[(6-Chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide|(1E)-N-[(6-Chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide|(E)-acetamiprid|(E)-N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide|(E)-N-((6-Chloro-3-pyridyl)methyl)-N-cyano-N-methylacetamidine|(E)-N-(1-{N-[(6-Chloro-3-pyridyl)methyl]-N-methylamino}ethylidene)carbamonitrile|(E)-N-(6-chloro-3-pyridyl)methyl-N'-cyano-N-methylacetamidine|(E)-N-[(6-Chloro-3-pyridyl)methyl]-N-cyano-N-methylacetamidine|(E)-N-[(6-Chloro-3-pyridyl)methyl]-N'-cyano-N-methylaceta midine|(E)-N1-[(6-chloro-3-pyridyl)methyl]-N2-cyano-N1-methylacetamidine|Acelan 20|Acelan 20SL|Acelan 20SP|ADA 06200|Assail|Assail 30SG|BY 102960|EC No.: 603-921-1|EC No.: 927-291-5|Epik 20 SG|Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-, (1E)-|Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-, (E)-|Gazelle SG|Intruder|Mospilan|Mospilan 20SG|Mospilan 20SP|Mospilan SG|Mukhnet A|NFK 17|NI 25 (pesticide)|NI-25|Piorun|Pristine|Pris|152949-80-9|468644-47-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034300
ERPathway2016 ERPathway2016_1282 Acetamiprid 135410-20-7 DTXSID0034300 ER Pathway Model, Agonist Call Inactive Unitless CN(CC1=CN=C(Cl)C=C1)C(C)=NC#N Acetamiprid 135410-20-7|Acetamiprid|(1E)-N-[(6-Chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide|(1E)-N-[(6-Chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide|(E)-acetamiprid|(E)-N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide|(E)-N-((6-Chloro-3-pyridyl)methyl)-N-cyano-N-methylacetamidine|(E)-N-(1-{N-[(6-Chloro-3-pyridyl)methyl]-N-methylamino}ethylidene)carbamonitrile|(E)-N-(6-chloro-3-pyridyl)methyl-N'-cyano-N-methylacetamidine|(E)-N-[(6-Chloro-3-pyridyl)methyl]-N-cyano-N-methylacetamidine|(E)-N-[(6-Chloro-3-pyridyl)methyl]-N'-cyano-N-methylaceta midine|(E)-N1-[(6-chloro-3-pyridyl)methyl]-N2-cyano-N1-methylacetamidine|Acelan 20|Acelan 20SL|Acelan 20SP|ADA 06200|Assail|Assail 30SG|BY 102960|EC No.: 603-921-1|EC No.: 927-291-5|Epik 20 SG|Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-, (1E)-|Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-, (E)-|Gazelle SG|Intruder|Mospilan|Mospilan 20SG|Mospilan 20SP|Mospilan SG|Mukhnet A|NFK 17|NI 25 (pesticide)|NI-25|Piorun|Pristine|Pris|152949-80-9|468644-47-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034300
ERPathway2016 ERPathway2016_1282 Acetamiprid 135410-20-7 DTXSID0034300 ER Pathway Model, Antagonist Call Inactive Unitless CN(CC1=CN=C(Cl)C=C1)C(C)=NC#N Acetamiprid 135410-20-7|Acetamiprid|(1E)-N-[(6-Chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide|(1E)-N-[(6-Chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide|(E)-acetamiprid|(E)-N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide|(E)-N-((6-Chloro-3-pyridyl)methyl)-N-cyano-N-methylacetamidine|(E)-N-(1-{N-[(6-Chloro-3-pyridyl)methyl]-N-methylamino}ethylidene)carbamonitrile|(E)-N-(6-chloro-3-pyridyl)methyl-N'-cyano-N-methylacetamidine|(E)-N-[(6-Chloro-3-pyridyl)methyl]-N-cyano-N-methylacetamidine|(E)-N-[(6-Chloro-3-pyridyl)methyl]-N'-cyano-N-methylaceta midine|(E)-N1-[(6-chloro-3-pyridyl)methyl]-N2-cyano-N1-methylacetamidine|Acelan 20|Acelan 20SL|Acelan 20SP|ADA 06200|Assail|Assail 30SG|BY 102960|EC No.: 603-921-1|EC No.: 927-291-5|Epik 20 SG|Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-, (1E)-|Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-, (E)-|Gazelle SG|Intruder|Mospilan|Mospilan 20SG|Mospilan 20SP|Mospilan SG|Mukhnet A|NFK 17|NI 25 (pesticide)|NI-25|Piorun|Pristine|Pris|152949-80-9|468644-47-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034300
ARPathway2016 ARPathway2016_1436 Acetic acid 64-19-7 DTXSID5024394 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(O)=O Acetic acid 64-19-7|Acetic acid|4-02-00-00094|Acetic acid 0.25% in plastic container|Acetic Acid Glacial|ACETIC ACID, GLACIAL|Aceticum acidum|Aci-Jel|Acide acetique|Acido acetico|AcOH|Azijnzuur|BRN 0506007|Caswell No. 003|CH3-COOH|CH3CO2H|E 260|E-260|E260|EINECS 200-580-7|EPA Pesticide Chemical Code 044001|Essigsaeure|Essigsaure|Ethanoic acid|Ethanoic acid monomer|ethoic acid|Ethylic acid|FEMA No. 2006|FEMA Number 2006|Glacial acetate|Glacial acetic acid|HOAc|INS No. 260|Kyselina octova|MeCO2H|MeCOOH|Methanecarboxylate|Methanecarboxylic acid|NSC 111201|NSC 112209|NSC 115870|NSC 127175|NSC 132953|NSC 406306|Octowy kwas|Pyroligneous acid|UN 2789|UN 2790|Vinegar|Vinegar acid|1053656-97-5|77671-22-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024394 https://doi.org/10.22427/NTP-DATA-DTXSID5024394
ARPathway2016 ARPathway2016_1436 Acetic acid 64-19-7 DTXSID5024394 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(O)=O Acetic acid 64-19-7|Acetic acid|4-02-00-00094|Acetic acid 0.25% in plastic container|Acetic Acid Glacial|ACETIC ACID, GLACIAL|Aceticum acidum|Aci-Jel|Acide acetique|Acido acetico|AcOH|Azijnzuur|BRN 0506007|Caswell No. 003|CH3-COOH|CH3CO2H|E 260|E-260|E260|EINECS 200-580-7|EPA Pesticide Chemical Code 044001|Essigsaeure|Essigsaure|Ethanoic acid|Ethanoic acid monomer|ethoic acid|Ethylic acid|FEMA No. 2006|FEMA Number 2006|Glacial acetate|Glacial acetic acid|HOAc|INS No. 260|Kyselina octova|MeCO2H|MeCOOH|Methanecarboxylate|Methanecarboxylic acid|NSC 111201|NSC 112209|NSC 115870|NSC 127175|NSC 132953|NSC 406306|Octowy kwas|Pyroligneous acid|UN 2789|UN 2790|Vinegar|Vinegar acid|1053656-97-5|77671-22-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024394 https://doi.org/10.22427/NTP-DATA-DTXSID5024394
ARPathway2016 ARPathway2016_1436 Acetic acid 64-19-7 DTXSID5024394 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(O)=O Acetic acid 64-19-7|Acetic acid|4-02-00-00094|Acetic acid 0.25% in plastic container|Acetic Acid Glacial|ACETIC ACID, GLACIAL|Aceticum acidum|Aci-Jel|Acide acetique|Acido acetico|AcOH|Azijnzuur|BRN 0506007|Caswell No. 003|CH3-COOH|CH3CO2H|E 260|E-260|E260|EINECS 200-580-7|EPA Pesticide Chemical Code 044001|Essigsaeure|Essigsaure|Ethanoic acid|Ethanoic acid monomer|ethoic acid|Ethylic acid|FEMA No. 2006|FEMA Number 2006|Glacial acetate|Glacial acetic acid|HOAc|INS No. 260|Kyselina octova|MeCO2H|MeCOOH|Methanecarboxylate|Methanecarboxylic acid|NSC 111201|NSC 112209|NSC 115870|NSC 127175|NSC 132953|NSC 406306|Octowy kwas|Pyroligneous acid|UN 2789|UN 2790|Vinegar|Vinegar acid|1053656-97-5|77671-22-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024394 https://doi.org/10.22427/NTP-DATA-DTXSID5024394
ARPathway2016 ARPathway2016_1436 Acetic acid 64-19-7 DTXSID5024394 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(O)=O Acetic acid 64-19-7|Acetic acid|4-02-00-00094|Acetic acid 0.25% in plastic container|Acetic Acid Glacial|ACETIC ACID, GLACIAL|Aceticum acidum|Aci-Jel|Acide acetique|Acido acetico|AcOH|Azijnzuur|BRN 0506007|Caswell No. 003|CH3-COOH|CH3CO2H|E 260|E-260|E260|EINECS 200-580-7|EPA Pesticide Chemical Code 044001|Essigsaeure|Essigsaure|Ethanoic acid|Ethanoic acid monomer|ethoic acid|Ethylic acid|FEMA No. 2006|FEMA Number 2006|Glacial acetate|Glacial acetic acid|HOAc|INS No. 260|Kyselina octova|MeCO2H|MeCOOH|Methanecarboxylate|Methanecarboxylic acid|NSC 111201|NSC 112209|NSC 115870|NSC 127175|NSC 132953|NSC 406306|Octowy kwas|Pyroligneous acid|UN 2789|UN 2790|Vinegar|Vinegar acid|1053656-97-5|77671-22-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024394 https://doi.org/10.22427/NTP-DATA-DTXSID5024394
ARPathway2016 ARPathway2016_1169 Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1) 3653-48-3 DTXSID2034700 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC1=C(OCC([O-])=O)C=CC(Cl)=C1 Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1) 3653-48-3|Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)|(2-Methyl-4-chlorophenoxy)acetic acid, sodium salt|(4-Chloro-2-methylphenoxy) acetate sodium salt|(p-Chloro-o-tolyloxy)acetic acid sodium salt|2M-4KH sodium salt|4-Chloro-2-methylphenoxyacetic acid sodium salt|Acetic acid, (4-chloro-2-methylphenoxy)-, sodium salt|Acetic acid, [(4-chloro-o-tolyl)oxy]-, sodium salt|Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)|Caswell No. 557K|Chwastoks|Chwastox|Chwastox 80|Chwastox plynny 30|Dicotex|Dikoteks|Dikotex|Dikotex P|EINECS 222-895-9|EPA Pesticide Chemical Code 030502|Estermine|Hedonal M 80|Hedonal M80|MCP sodium salt|Metaxone|Methoxon|Methoxone 30|Methoxone sodium salt|Phenoxylene|Sodium (2-methyl-4-chlorophenoxy)acetate|Sodium (4-chloro-2-methylphenoxy)acetate|Sodium MCPA|UNII-4E2KB6UGRM|11100-01-9|11114-06-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034700
ARPathway2016 ARPathway2016_1169 Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1) 3653-48-3 DTXSID2034700 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CC1=C(OCC([O-])=O)C=CC(Cl)=C1 Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1) 3653-48-3|Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)|(2-Methyl-4-chlorophenoxy)acetic acid, sodium salt|(4-Chloro-2-methylphenoxy) acetate sodium salt|(p-Chloro-o-tolyloxy)acetic acid sodium salt|2M-4KH sodium salt|4-Chloro-2-methylphenoxyacetic acid sodium salt|Acetic acid, (4-chloro-2-methylphenoxy)-, sodium salt|Acetic acid, [(4-chloro-o-tolyl)oxy]-, sodium salt|Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)|Caswell No. 557K|Chwastoks|Chwastox|Chwastox 80|Chwastox plynny 30|Dicotex|Dikoteks|Dikotex|Dikotex P|EINECS 222-895-9|EPA Pesticide Chemical Code 030502|Estermine|Hedonal M 80|Hedonal M80|MCP sodium salt|Metaxone|Methoxon|Methoxone 30|Methoxone sodium salt|Phenoxylene|Sodium (2-methyl-4-chlorophenoxy)acetate|Sodium (4-chloro-2-methylphenoxy)acetate|Sodium MCPA|UNII-4E2KB6UGRM|11100-01-9|11114-06-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034700
ARPathway2016 ARPathway2016_1169 Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1) 3653-48-3 DTXSID2034700 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CC1=C(OCC([O-])=O)C=CC(Cl)=C1 Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1) 3653-48-3|Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)|(2-Methyl-4-chlorophenoxy)acetic acid, sodium salt|(4-Chloro-2-methylphenoxy) acetate sodium salt|(p-Chloro-o-tolyloxy)acetic acid sodium salt|2M-4KH sodium salt|4-Chloro-2-methylphenoxyacetic acid sodium salt|Acetic acid, (4-chloro-2-methylphenoxy)-, sodium salt|Acetic acid, [(4-chloro-o-tolyl)oxy]-, sodium salt|Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)|Caswell No. 557K|Chwastoks|Chwastox|Chwastox 80|Chwastox plynny 30|Dicotex|Dikoteks|Dikotex|Dikotex P|EINECS 222-895-9|EPA Pesticide Chemical Code 030502|Estermine|Hedonal M 80|Hedonal M80|MCP sodium salt|Metaxone|Methoxon|Methoxone 30|Methoxone sodium salt|Phenoxylene|Sodium (2-methyl-4-chlorophenoxy)acetate|Sodium (4-chloro-2-methylphenoxy)acetate|Sodium MCPA|UNII-4E2KB6UGRM|11100-01-9|11114-06-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034700
ARPathway2016 ARPathway2016_1169 Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1) 3653-48-3 DTXSID2034700 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CC1=C(OCC([O-])=O)C=CC(Cl)=C1 Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1) 3653-48-3|Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)|(2-Methyl-4-chlorophenoxy)acetic acid, sodium salt|(4-Chloro-2-methylphenoxy) acetate sodium salt|(p-Chloro-o-tolyloxy)acetic acid sodium salt|2M-4KH sodium salt|4-Chloro-2-methylphenoxyacetic acid sodium salt|Acetic acid, (4-chloro-2-methylphenoxy)-, sodium salt|Acetic acid, [(4-chloro-o-tolyl)oxy]-, sodium salt|Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)|Caswell No. 557K|Chwastoks|Chwastox|Chwastox 80|Chwastox plynny 30|Dicotex|Dikoteks|Dikotex|Dikotex P|EINECS 222-895-9|EPA Pesticide Chemical Code 030502|Estermine|Hedonal M 80|Hedonal M80|MCP sodium salt|Metaxone|Methoxon|Methoxone 30|Methoxone sodium salt|Phenoxylene|Sodium (2-methyl-4-chlorophenoxy)acetate|Sodium (4-chloro-2-methylphenoxy)acetate|Sodium MCPA|UNII-4E2KB6UGRM|11100-01-9|11114-06-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034700
ERPathway2016 ERPathway2016_1467 Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1) 3653-48-3 DTXSID2034700 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CC1=C(OCC([O-])=O)C=CC(Cl)=C1 Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1) 3653-48-3|Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)|(2-Methyl-4-chlorophenoxy)acetic acid, sodium salt|(4-Chloro-2-methylphenoxy) acetate sodium salt|(p-Chloro-o-tolyloxy)acetic acid sodium salt|2M-4KH sodium salt|4-Chloro-2-methylphenoxyacetic acid sodium salt|Acetic acid, (4-chloro-2-methylphenoxy)-, sodium salt|Acetic acid, [(4-chloro-o-tolyl)oxy]-, sodium salt|Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)|Caswell No. 557K|Chwastoks|Chwastox|Chwastox 80|Chwastox plynny 30|Dicotex|Dikoteks|Dikotex|Dikotex P|EINECS 222-895-9|EPA Pesticide Chemical Code 030502|Estermine|Hedonal M 80|Hedonal M80|MCP sodium salt|Metaxone|Methoxon|Methoxone 30|Methoxone sodium salt|Phenoxylene|Sodium (2-methyl-4-chlorophenoxy)acetate|Sodium (4-chloro-2-methylphenoxy)acetate|Sodium MCPA|UNII-4E2KB6UGRM|11100-01-9|11114-06-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034700
ERPathway2016 ERPathway2016_1467 Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1) 3653-48-3 DTXSID2034700 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC1=C(OCC([O-])=O)C=CC(Cl)=C1 Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1) 3653-48-3|Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)|(2-Methyl-4-chlorophenoxy)acetic acid, sodium salt|(4-Chloro-2-methylphenoxy) acetate sodium salt|(p-Chloro-o-tolyloxy)acetic acid sodium salt|2M-4KH sodium salt|4-Chloro-2-methylphenoxyacetic acid sodium salt|Acetic acid, (4-chloro-2-methylphenoxy)-, sodium salt|Acetic acid, [(4-chloro-o-tolyl)oxy]-, sodium salt|Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)|Caswell No. 557K|Chwastoks|Chwastox|Chwastox 80|Chwastox plynny 30|Dicotex|Dikoteks|Dikotex|Dikotex P|EINECS 222-895-9|EPA Pesticide Chemical Code 030502|Estermine|Hedonal M 80|Hedonal M80|MCP sodium salt|Metaxone|Methoxon|Methoxone 30|Methoxone sodium salt|Phenoxylene|Sodium (2-methyl-4-chlorophenoxy)acetate|Sodium (4-chloro-2-methylphenoxy)acetate|Sodium MCPA|UNII-4E2KB6UGRM|11100-01-9|11114-06-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034700
ERPathway2016 ERPathway2016_1467 Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1) 3653-48-3 DTXSID2034700 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CC1=C(OCC([O-])=O)C=CC(Cl)=C1 Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1) 3653-48-3|Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)|(2-Methyl-4-chlorophenoxy)acetic acid, sodium salt|(4-Chloro-2-methylphenoxy) acetate sodium salt|(p-Chloro-o-tolyloxy)acetic acid sodium salt|2M-4KH sodium salt|4-Chloro-2-methylphenoxyacetic acid sodium salt|Acetic acid, (4-chloro-2-methylphenoxy)-, sodium salt|Acetic acid, [(4-chloro-o-tolyl)oxy]-, sodium salt|Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)|Caswell No. 557K|Chwastoks|Chwastox|Chwastox 80|Chwastox plynny 30|Dicotex|Dikoteks|Dikotex|Dikotex P|EINECS 222-895-9|EPA Pesticide Chemical Code 030502|Estermine|Hedonal M 80|Hedonal M80|MCP sodium salt|Metaxone|Methoxon|Methoxone 30|Methoxone sodium salt|Phenoxylene|Sodium (2-methyl-4-chlorophenoxy)acetate|Sodium (4-chloro-2-methylphenoxy)acetate|Sodium MCPA|UNII-4E2KB6UGRM|11100-01-9|11114-06-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034700
ERPathway2016 ERPathway2016_1467 Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1) 3653-48-3 DTXSID2034700 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CC1=C(OCC([O-])=O)C=CC(Cl)=C1 Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1) 3653-48-3|Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)|(2-Methyl-4-chlorophenoxy)acetic acid, sodium salt|(4-Chloro-2-methylphenoxy) acetate sodium salt|(p-Chloro-o-tolyloxy)acetic acid sodium salt|2M-4KH sodium salt|4-Chloro-2-methylphenoxyacetic acid sodium salt|Acetic acid, (4-chloro-2-methylphenoxy)-, sodium salt|Acetic acid, [(4-chloro-o-tolyl)oxy]-, sodium salt|Acetic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)|Caswell No. 557K|Chwastoks|Chwastox|Chwastox 80|Chwastox plynny 30|Dicotex|Dikoteks|Dikotex|Dikotex P|EINECS 222-895-9|EPA Pesticide Chemical Code 030502|Estermine|Hedonal M 80|Hedonal M80|MCP sodium salt|Metaxone|Methoxon|Methoxone 30|Methoxone sodium salt|Phenoxylene|Sodium (2-methyl-4-chlorophenoxy)acetate|Sodium (4-chloro-2-methylphenoxy)acetate|Sodium MCPA|UNII-4E2KB6UGRM|11100-01-9|11114-06-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034700
ARPathway2016 ARPathway2016_509 Acetic acid, C8-10-branched alkyl esters, C9-rich 108419-33-6 DTXSID0029848 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Acetic acid, C8-10-branched alkyl esters, C9-rich 108419-33-6|Acetic acid, C8-10-branched alkyl esters, C9-rich https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029848
ARPathway2016 ARPathway2016_509 Acetic acid, C8-10-branched alkyl esters, C9-rich 108419-33-6 DTXSID0029848 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Acetic acid, C8-10-branched alkyl esters, C9-rich 108419-33-6|Acetic acid, C8-10-branched alkyl esters, C9-rich https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029848
ARPathway2016 ARPathway2016_509 Acetic acid, C8-10-branched alkyl esters, C9-rich 108419-33-6 DTXSID0029848 0.0 AR Pathway Model, Agonist Call Inactive Unitless Acetic acid, C8-10-branched alkyl esters, C9-rich 108419-33-6|Acetic acid, C8-10-branched alkyl esters, C9-rich https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029848
ARPathway2016 ARPathway2016_509 Acetic acid, C8-10-branched alkyl esters, C9-rich 108419-33-6 DTXSID0029848 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Acetic acid, C8-10-branched alkyl esters, C9-rich 108419-33-6|Acetic acid, C8-10-branched alkyl esters, C9-rich https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029848
ERPathway2016 ERPathway2016_1111 Acetic acid, C8-10-branched alkyl esters, C9-rich 108419-33-6 DTXSID0029848 ER Pathway Model, Agonist Model Score 0 Unitless Acetic acid, C8-10-branched alkyl esters, C9-rich 108419-33-6|Acetic acid, C8-10-branched alkyl esters, C9-rich https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029848
ERPathway2016 ERPathway2016_1111 Acetic acid, C8-10-branched alkyl esters, C9-rich 108419-33-6 DTXSID0029848 ER Pathway Model, Antagonist Model Score 0 Unitless Acetic acid, C8-10-branched alkyl esters, C9-rich 108419-33-6|Acetic acid, C8-10-branched alkyl esters, C9-rich https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029848
ERPathway2016 ERPathway2016_1111 Acetic acid, C8-10-branched alkyl esters, C9-rich 108419-33-6 DTXSID0029848 ER Pathway Model, Agonist Call Inactive Unitless Acetic acid, C8-10-branched alkyl esters, C9-rich 108419-33-6|Acetic acid, C8-10-branched alkyl esters, C9-rich https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029848
ERPathway2016 ERPathway2016_1111 Acetic acid, C8-10-branched alkyl esters, C9-rich 108419-33-6 DTXSID0029848 ER Pathway Model, Antagonist Call Inactive Unitless Acetic acid, C8-10-branched alkyl esters, C9-rich 108419-33-6|Acetic acid, C8-10-branched alkyl esters, C9-rich https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029848
ARPathway2016 ARPathway2016_160 Acetochlor 34256-82-1 DTXSID8023848 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 30.6475746485562 uM CCOCN(C(=O)CCl)C1=C(CC)C=CC=C1C Acetochlor 34256-82-1|Acetochlor|2-Chlor-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamid|2-Chloro-2'-methyl-6-ethyl-N-ethoxymethylacetanilide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-6'-ethylacet-o-toluidide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide|2-cloro-N-(2-etil-6-metilfenil)-N-(etoximetil)acetamida|2-Ethyl-6-methyl-N-(ethoxymethyl)-2-chloroacetylaniline|2-Methyl-6-ethyl-N-ethoxymethyl-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|Acenit|Acetal (herbicide)|Acetamide, 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-|Acetochlore|Acetor 50 EC|Azetochlor|BRN 2859702|Caswell No. 003B|Chloracetanilide|EINECS 251-899-3|EPA Pesticide Chemical Code 121601|Guardian|Guardian (herbicide)|Harness|Henaisi|MG 02|MON 097|Nevirex|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|Relay|Rel|123113-74-6|73412-88-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023848 https://doi.org/10.22427/NTP-DATA-DTXSID8023848
ARPathway2016 ARPathway2016_160 Acetochlor 34256-82-1 DTXSID8023848 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 22.9529162098992 uM CCOCN(C(=O)CCl)C1=C(CC)C=CC=C1C Acetochlor 34256-82-1|Acetochlor|2-Chlor-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamid|2-Chloro-2'-methyl-6-ethyl-N-ethoxymethylacetanilide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-6'-ethylacet-o-toluidide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide|2-cloro-N-(2-etil-6-metilfenil)-N-(etoximetil)acetamida|2-Ethyl-6-methyl-N-(ethoxymethyl)-2-chloroacetylaniline|2-Methyl-6-ethyl-N-ethoxymethyl-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|Acenit|Acetal (herbicide)|Acetamide, 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-|Acetochlore|Acetor 50 EC|Azetochlor|BRN 2859702|Caswell No. 003B|Chloracetanilide|EINECS 251-899-3|EPA Pesticide Chemical Code 121601|Guardian|Guardian (herbicide)|Harness|Henaisi|MG 02|MON 097|Nevirex|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|Relay|Rel|123113-74-6|73412-88-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023848 https://doi.org/10.22427/NTP-DATA-DTXSID8023848
ARPathway2016 ARPathway2016_160 Acetochlor 34256-82-1 DTXSID8023848 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.132 Unitless CCOCN(C(=O)CCl)C1=C(CC)C=CC=C1C Acetochlor 34256-82-1|Acetochlor|2-Chlor-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamid|2-Chloro-2'-methyl-6-ethyl-N-ethoxymethylacetanilide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-6'-ethylacet-o-toluidide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide|2-cloro-N-(2-etil-6-metilfenil)-N-(etoximetil)acetamida|2-Ethyl-6-methyl-N-(ethoxymethyl)-2-chloroacetylaniline|2-Methyl-6-ethyl-N-ethoxymethyl-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|Acenit|Acetal (herbicide)|Acetamide, 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-|Acetochlore|Acetor 50 EC|Azetochlor|BRN 2859702|Caswell No. 003B|Chloracetanilide|EINECS 251-899-3|EPA Pesticide Chemical Code 121601|Guardian|Guardian (herbicide)|Harness|Henaisi|MG 02|MON 097|Nevirex|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|Relay|Rel|123113-74-6|73412-88-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023848 https://doi.org/10.22427/NTP-DATA-DTXSID8023848
ARPathway2016 ARPathway2016_160 Acetochlor 34256-82-1 DTXSID8023848 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCOCN(C(=O)CCl)C1=C(CC)C=CC=C1C Acetochlor 34256-82-1|Acetochlor|2-Chlor-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamid|2-Chloro-2'-methyl-6-ethyl-N-ethoxymethylacetanilide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-6'-ethylacet-o-toluidide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide|2-cloro-N-(2-etil-6-metilfenil)-N-(etoximetil)acetamida|2-Ethyl-6-methyl-N-(ethoxymethyl)-2-chloroacetylaniline|2-Methyl-6-ethyl-N-ethoxymethyl-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|Acenit|Acetal (herbicide)|Acetamide, 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-|Acetochlore|Acetor 50 EC|Azetochlor|BRN 2859702|Caswell No. 003B|Chloracetanilide|EINECS 251-899-3|EPA Pesticide Chemical Code 121601|Guardian|Guardian (herbicide)|Harness|Henaisi|MG 02|MON 097|Nevirex|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|Relay|Rel|123113-74-6|73412-88-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023848 https://doi.org/10.22427/NTP-DATA-DTXSID8023848
ARPathway2016 ARPathway2016_160 Acetochlor 34256-82-1 DTXSID8023848 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCOCN(C(=O)CCl)C1=C(CC)C=CC=C1C Acetochlor 34256-82-1|Acetochlor|2-Chlor-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamid|2-Chloro-2'-methyl-6-ethyl-N-ethoxymethylacetanilide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-6'-ethylacet-o-toluidide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide|2-cloro-N-(2-etil-6-metilfenil)-N-(etoximetil)acetamida|2-Ethyl-6-methyl-N-(ethoxymethyl)-2-chloroacetylaniline|2-Methyl-6-ethyl-N-ethoxymethyl-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|Acenit|Acetal (herbicide)|Acetamide, 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-|Acetochlore|Acetor 50 EC|Azetochlor|BRN 2859702|Caswell No. 003B|Chloracetanilide|EINECS 251-899-3|EPA Pesticide Chemical Code 121601|Guardian|Guardian (herbicide)|Harness|Henaisi|MG 02|MON 097|Nevirex|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|Relay|Rel|123113-74-6|73412-88-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023848 https://doi.org/10.22427/NTP-DATA-DTXSID8023848
ARPathway2016 ARPathway2016_160 Acetochlor 34256-82-1 DTXSID8023848 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCOCN(C(=O)CCl)C1=C(CC)C=CC=C1C Acetochlor 34256-82-1|Acetochlor|2-Chlor-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamid|2-Chloro-2'-methyl-6-ethyl-N-ethoxymethylacetanilide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-6'-ethylacet-o-toluidide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide|2-cloro-N-(2-etil-6-metilfenil)-N-(etoximetil)acetamida|2-Ethyl-6-methyl-N-(ethoxymethyl)-2-chloroacetylaniline|2-Methyl-6-ethyl-N-ethoxymethyl-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|Acenit|Acetal (herbicide)|Acetamide, 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-|Acetochlore|Acetor 50 EC|Azetochlor|BRN 2859702|Caswell No. 003B|Chloracetanilide|EINECS 251-899-3|EPA Pesticide Chemical Code 121601|Guardian|Guardian (herbicide)|Harness|Henaisi|MG 02|MON 097|Nevirex|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|Relay|Rel|123113-74-6|73412-88-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023848 https://doi.org/10.22427/NTP-DATA-DTXSID8023848
ERPathway2016 ERPathway2016_618 Acetochlor 34256-82-1 DTXSID8023848 A17 ER Pathway Model, Agonist Model Score 0 Unitless CCOCN(C(=O)CCl)C1=C(CC)C=CC=C1C Acetochlor 34256-82-1|Acetochlor|2-Chlor-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamid|2-Chloro-2'-methyl-6-ethyl-N-ethoxymethylacetanilide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-6'-ethylacet-o-toluidide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide|2-cloro-N-(2-etil-6-metilfenil)-N-(etoximetil)acetamida|2-Ethyl-6-methyl-N-(ethoxymethyl)-2-chloroacetylaniline|2-Methyl-6-ethyl-N-ethoxymethyl-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|Acenit|Acetal (herbicide)|Acetamide, 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-|Acetochlore|Acetor 50 EC|Azetochlor|BRN 2859702|Caswell No. 003B|Chloracetanilide|EINECS 251-899-3|EPA Pesticide Chemical Code 121601|Guardian|Guardian (herbicide)|Harness|Henaisi|MG 02|MON 097|Nevirex|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|Relay|Rel|123113-74-6|73412-88-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023848 https://doi.org/10.22427/NTP-DATA-DTXSID8023848
ERPathway2016 ERPathway2016_618 Acetochlor 34256-82-1 DTXSID8023848 A17 ER Pathway Model, Antagonist Model Score 0 Unitless CCOCN(C(=O)CCl)C1=C(CC)C=CC=C1C Acetochlor 34256-82-1|Acetochlor|2-Chlor-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamid|2-Chloro-2'-methyl-6-ethyl-N-ethoxymethylacetanilide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-6'-ethylacet-o-toluidide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide|2-cloro-N-(2-etil-6-metilfenil)-N-(etoximetil)acetamida|2-Ethyl-6-methyl-N-(ethoxymethyl)-2-chloroacetylaniline|2-Methyl-6-ethyl-N-ethoxymethyl-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|Acenit|Acetal (herbicide)|Acetamide, 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-|Acetochlore|Acetor 50 EC|Azetochlor|BRN 2859702|Caswell No. 003B|Chloracetanilide|EINECS 251-899-3|EPA Pesticide Chemical Code 121601|Guardian|Guardian (herbicide)|Harness|Henaisi|MG 02|MON 097|Nevirex|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|Relay|Rel|123113-74-6|73412-88-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023848 https://doi.org/10.22427/NTP-DATA-DTXSID8023848
ERPathway2016 ERPathway2016_618 Acetochlor 34256-82-1 DTXSID8023848 A17 ER Pathway Model, Agonist Call Inactive Unitless CCOCN(C(=O)CCl)C1=C(CC)C=CC=C1C Acetochlor 34256-82-1|Acetochlor|2-Chlor-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamid|2-Chloro-2'-methyl-6-ethyl-N-ethoxymethylacetanilide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-6'-ethylacet-o-toluidide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide|2-cloro-N-(2-etil-6-metilfenil)-N-(etoximetil)acetamida|2-Ethyl-6-methyl-N-(ethoxymethyl)-2-chloroacetylaniline|2-Methyl-6-ethyl-N-ethoxymethyl-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|Acenit|Acetal (herbicide)|Acetamide, 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-|Acetochlore|Acetor 50 EC|Azetochlor|BRN 2859702|Caswell No. 003B|Chloracetanilide|EINECS 251-899-3|EPA Pesticide Chemical Code 121601|Guardian|Guardian (herbicide)|Harness|Henaisi|MG 02|MON 097|Nevirex|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|Relay|Rel|123113-74-6|73412-88-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023848 https://doi.org/10.22427/NTP-DATA-DTXSID8023848
ERPathway2016 ERPathway2016_618 Acetochlor 34256-82-1 DTXSID8023848 A17 ER Pathway Model, Antagonist Call Inactive Unitless CCOCN(C(=O)CCl)C1=C(CC)C=CC=C1C Acetochlor 34256-82-1|Acetochlor|2-Chlor-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamid|2-Chloro-2'-methyl-6-ethyl-N-ethoxymethylacetanilide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-6'-ethylacet-o-toluidide|2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide|2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide|2-cloro-N-(2-etil-6-metilfenil)-N-(etoximetil)acetamida|2-Ethyl-6-methyl-N-(ethoxymethyl)-2-chloroacetylaniline|2-Methyl-6-ethyl-N-ethoxymethyl-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|2'-Ethyl-6'-methyl-N-(ethoxymethyl)-2-chloroacetanilide|Acenit|Acetal (herbicide)|Acetamide, 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-|Acetochlore|Acetor 50 EC|Azetochlor|BRN 2859702|Caswell No. 003B|Chloracetanilide|EINECS 251-899-3|EPA Pesticide Chemical Code 121601|Guardian|Guardian (herbicide)|Harness|Henaisi|MG 02|MON 097|Nevirex|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|o-Acetotoluidide, 2-chloro-N-(ethoxymethyl)-6'-ethyl-|Relay|Rel|123113-74-6|73412-88-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023848 https://doi.org/10.22427/NTP-DATA-DTXSID8023848
ARPathway2016 ARPathway2016_1805 Acetophenone 98-86-2 DTXSID6021828 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C1=CC=CC=C1 Acetophenone 98-86-2|Acetophenone|1-Phenyl-1-ethanone|1-Phenyl-Ethanone|1-Phenylethan-1-one|1-Phenylethanone|1-Phenylethanone (acetophenone)|1-Phenylethanone, 9CI|Acetofenon|acetofenona|Acetophenon|Acetyl-Benzene|Acetylbenzene|Acetylbenzol|alpha-Acetophenone|Benzene, acetyl-|benzoyl methide|Benzoylmethide|Dymex|EINECS 202-708-7|ethanone, 1-phenyl-|FEMA 2009|FEMA No. 2009|FEMA Number 2009|Hypnon|Hypnone|Ketone, methyl phenyl|Methyl phenyl ketone|Methyl phenyl-Ketone|Methylphenylketone|Nchem.180-comp5|NSC 7635|NSC 98542|Phenyl|Phenyl methyl ketone|Phenylethanone|Phenylmethylketone|RCRA waste number U004|UNII-RK493WHV10|USAF EK-496 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021828
ARPathway2016 ARPathway2016_1805 Acetophenone 98-86-2 DTXSID6021828 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)C1=CC=CC=C1 Acetophenone 98-86-2|Acetophenone|1-Phenyl-1-ethanone|1-Phenyl-Ethanone|1-Phenylethan-1-one|1-Phenylethanone|1-Phenylethanone (acetophenone)|1-Phenylethanone, 9CI|Acetofenon|acetofenona|Acetophenon|Acetyl-Benzene|Acetylbenzene|Acetylbenzol|alpha-Acetophenone|Benzene, acetyl-|benzoyl methide|Benzoylmethide|Dymex|EINECS 202-708-7|ethanone, 1-phenyl-|FEMA 2009|FEMA No. 2009|FEMA Number 2009|Hypnon|Hypnone|Ketone, methyl phenyl|Methyl phenyl ketone|Methyl phenyl-Ketone|Methylphenylketone|Nchem.180-comp5|NSC 7635|NSC 98542|Phenyl|Phenyl methyl ketone|Phenylethanone|Phenylmethylketone|RCRA waste number U004|UNII-RK493WHV10|USAF EK-496 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021828
ARPathway2016 ARPathway2016_1805 Acetophenone 98-86-2 DTXSID6021828 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)C1=CC=CC=C1 Acetophenone 98-86-2|Acetophenone|1-Phenyl-1-ethanone|1-Phenyl-Ethanone|1-Phenylethan-1-one|1-Phenylethanone|1-Phenylethanone (acetophenone)|1-Phenylethanone, 9CI|Acetofenon|acetofenona|Acetophenon|Acetyl-Benzene|Acetylbenzene|Acetylbenzol|alpha-Acetophenone|Benzene, acetyl-|benzoyl methide|Benzoylmethide|Dymex|EINECS 202-708-7|ethanone, 1-phenyl-|FEMA 2009|FEMA No. 2009|FEMA Number 2009|Hypnon|Hypnone|Ketone, methyl phenyl|Methyl phenyl ketone|Methyl phenyl-Ketone|Methylphenylketone|Nchem.180-comp5|NSC 7635|NSC 98542|Phenyl|Phenyl methyl ketone|Phenylethanone|Phenylmethylketone|RCRA waste number U004|UNII-RK493WHV10|USAF EK-496 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021828
ARPathway2016 ARPathway2016_1805 Acetophenone 98-86-2 DTXSID6021828 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)C1=CC=CC=C1 Acetophenone 98-86-2|Acetophenone|1-Phenyl-1-ethanone|1-Phenyl-Ethanone|1-Phenylethan-1-one|1-Phenylethanone|1-Phenylethanone (acetophenone)|1-Phenylethanone, 9CI|Acetofenon|acetofenona|Acetophenon|Acetyl-Benzene|Acetylbenzene|Acetylbenzol|alpha-Acetophenone|Benzene, acetyl-|benzoyl methide|Benzoylmethide|Dymex|EINECS 202-708-7|ethanone, 1-phenyl-|FEMA 2009|FEMA No. 2009|FEMA Number 2009|Hypnon|Hypnone|Ketone, methyl phenyl|Methyl phenyl ketone|Methyl phenyl-Ketone|Methylphenylketone|Nchem.180-comp5|NSC 7635|NSC 98542|Phenyl|Phenyl methyl ketone|Phenylethanone|Phenylmethylketone|RCRA waste number U004|UNII-RK493WHV10|USAF EK-496 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021828
ERPathway2016 ERPathway2016_1790 Acetophenone 98-86-2 DTXSID6021828 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)C1=CC=CC=C1 Acetophenone 98-86-2|Acetophenone|1-Phenyl-1-ethanone|1-Phenyl-Ethanone|1-Phenylethan-1-one|1-Phenylethanone|1-Phenylethanone (acetophenone)|1-Phenylethanone, 9CI|Acetofenon|acetofenona|Acetophenon|Acetyl-Benzene|Acetylbenzene|Acetylbenzol|alpha-Acetophenone|Benzene, acetyl-|benzoyl methide|Benzoylmethide|Dymex|EINECS 202-708-7|ethanone, 1-phenyl-|FEMA 2009|FEMA No. 2009|FEMA Number 2009|Hypnon|Hypnone|Ketone, methyl phenyl|Methyl phenyl ketone|Methyl phenyl-Ketone|Methylphenylketone|Nchem.180-comp5|NSC 7635|NSC 98542|Phenyl|Phenyl methyl ketone|Phenylethanone|Phenylmethylketone|RCRA waste number U004|UNII-RK493WHV10|USAF EK-496 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021828
ERPathway2016 ERPathway2016_1790 Acetophenone 98-86-2 DTXSID6021828 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C1=CC=CC=C1 Acetophenone 98-86-2|Acetophenone|1-Phenyl-1-ethanone|1-Phenyl-Ethanone|1-Phenylethan-1-one|1-Phenylethanone|1-Phenylethanone (acetophenone)|1-Phenylethanone, 9CI|Acetofenon|acetofenona|Acetophenon|Acetyl-Benzene|Acetylbenzene|Acetylbenzol|alpha-Acetophenone|Benzene, acetyl-|benzoyl methide|Benzoylmethide|Dymex|EINECS 202-708-7|ethanone, 1-phenyl-|FEMA 2009|FEMA No. 2009|FEMA Number 2009|Hypnon|Hypnone|Ketone, methyl phenyl|Methyl phenyl ketone|Methyl phenyl-Ketone|Methylphenylketone|Nchem.180-comp5|NSC 7635|NSC 98542|Phenyl|Phenyl methyl ketone|Phenylethanone|Phenylmethylketone|RCRA waste number U004|UNII-RK493WHV10|USAF EK-496 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021828
ERPathway2016 ERPathway2016_1790 Acetophenone 98-86-2 DTXSID6021828 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)C1=CC=CC=C1 Acetophenone 98-86-2|Acetophenone|1-Phenyl-1-ethanone|1-Phenyl-Ethanone|1-Phenylethan-1-one|1-Phenylethanone|1-Phenylethanone (acetophenone)|1-Phenylethanone, 9CI|Acetofenon|acetofenona|Acetophenon|Acetyl-Benzene|Acetylbenzene|Acetylbenzol|alpha-Acetophenone|Benzene, acetyl-|benzoyl methide|Benzoylmethide|Dymex|EINECS 202-708-7|ethanone, 1-phenyl-|FEMA 2009|FEMA No. 2009|FEMA Number 2009|Hypnon|Hypnone|Ketone, methyl phenyl|Methyl phenyl ketone|Methyl phenyl-Ketone|Methylphenylketone|Nchem.180-comp5|NSC 7635|NSC 98542|Phenyl|Phenyl methyl ketone|Phenylethanone|Phenylmethylketone|RCRA waste number U004|UNII-RK493WHV10|USAF EK-496 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021828
ERPathway2016 ERPathway2016_1790 Acetophenone 98-86-2 DTXSID6021828 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)C1=CC=CC=C1 Acetophenone 98-86-2|Acetophenone|1-Phenyl-1-ethanone|1-Phenyl-Ethanone|1-Phenylethan-1-one|1-Phenylethanone|1-Phenylethanone (acetophenone)|1-Phenylethanone, 9CI|Acetofenon|acetofenona|Acetophenon|Acetyl-Benzene|Acetylbenzene|Acetylbenzol|alpha-Acetophenone|Benzene, acetyl-|benzoyl methide|Benzoylmethide|Dymex|EINECS 202-708-7|ethanone, 1-phenyl-|FEMA 2009|FEMA No. 2009|FEMA Number 2009|Hypnon|Hypnone|Ketone, methyl phenyl|Methyl phenyl ketone|Methyl phenyl-Ketone|Methylphenylketone|Nchem.180-comp5|NSC 7635|NSC 98542|Phenyl|Phenyl methyl ketone|Phenylethanone|Phenylmethylketone|RCRA waste number U004|UNII-RK493WHV10|USAF EK-496 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021828
ARPathway2016 ARPathway2016_1565 Acetyl tributyl citrate 77-90-7 DTXSID2026446 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC Acetyl tributyl citrate 77-90-7|Acetyl tributyl citrate|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tributyl ester|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester|2-(Acetyloxy)-1,2,3-propanetricarboxylic acid tributyl ester|2-(Acetyloxy)-1,2,3-tributyloate-1,2,3-propanetricarboxylic acid|2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester|Acetyl butyl citrate|ACETYL TRI-N-BUTYL CITRATE|Acetylcitric acid tributyl ester|Acetylcitric acid, tributyl ester|Acetyltributylcitrate|Blo-trol|BRN 2303316|Caswell No. 005AB|Citric acid, tributyl ester, acetate|Citroflex 4A-S|Citroflex A|Citroflex A 4|EINECS 201-067-0|Estaflex ATC|FEMA No. 3080|Monocizer ATBC|Morflex ATBC|NSC 3894|O-acetilcitrato de tributilo|O-Acetylcitrate de tributyle|O-ACETYLCITRONENSAEURE-TRIBUTYLESTER|PROPANE-1,2,3-TRICARBOXYLATE, 2-(ACETOXY)-, TRIBUTYL|Sansocizer ATBC|Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylate|Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylic acid|Tributyl 2-acetoxy-1,2,3-propanetricarboxylate|Tributyl acetyl citrate|Tributyl acetylcitrate|Tributyl|37070-91-0|791812-73-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026446
ARPathway2016 ARPathway2016_1565 Acetyl tributyl citrate 77-90-7 DTXSID2026446 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC Acetyl tributyl citrate 77-90-7|Acetyl tributyl citrate|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tributyl ester|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester|2-(Acetyloxy)-1,2,3-propanetricarboxylic acid tributyl ester|2-(Acetyloxy)-1,2,3-tributyloate-1,2,3-propanetricarboxylic acid|2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester|Acetyl butyl citrate|ACETYL TRI-N-BUTYL CITRATE|Acetylcitric acid tributyl ester|Acetylcitric acid, tributyl ester|Acetyltributylcitrate|Blo-trol|BRN 2303316|Caswell No. 005AB|Citric acid, tributyl ester, acetate|Citroflex 4A-S|Citroflex A|Citroflex A 4|EINECS 201-067-0|Estaflex ATC|FEMA No. 3080|Monocizer ATBC|Morflex ATBC|NSC 3894|O-acetilcitrato de tributilo|O-Acetylcitrate de tributyle|O-ACETYLCITRONENSAEURE-TRIBUTYLESTER|PROPANE-1,2,3-TRICARBOXYLATE, 2-(ACETOXY)-, TRIBUTYL|Sansocizer ATBC|Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylate|Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylic acid|Tributyl 2-acetoxy-1,2,3-propanetricarboxylate|Tributyl acetyl citrate|Tributyl acetylcitrate|Tributyl|37070-91-0|791812-73-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026446
ARPathway2016 ARPathway2016_1565 Acetyl tributyl citrate 77-90-7 DTXSID2026446 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC Acetyl tributyl citrate 77-90-7|Acetyl tributyl citrate|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tributyl ester|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester|2-(Acetyloxy)-1,2,3-propanetricarboxylic acid tributyl ester|2-(Acetyloxy)-1,2,3-tributyloate-1,2,3-propanetricarboxylic acid|2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester|Acetyl butyl citrate|ACETYL TRI-N-BUTYL CITRATE|Acetylcitric acid tributyl ester|Acetylcitric acid, tributyl ester|Acetyltributylcitrate|Blo-trol|BRN 2303316|Caswell No. 005AB|Citric acid, tributyl ester, acetate|Citroflex 4A-S|Citroflex A|Citroflex A 4|EINECS 201-067-0|Estaflex ATC|FEMA No. 3080|Monocizer ATBC|Morflex ATBC|NSC 3894|O-acetilcitrato de tributilo|O-Acetylcitrate de tributyle|O-ACETYLCITRONENSAEURE-TRIBUTYLESTER|PROPANE-1,2,3-TRICARBOXYLATE, 2-(ACETOXY)-, TRIBUTYL|Sansocizer ATBC|Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylate|Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylic acid|Tributyl 2-acetoxy-1,2,3-propanetricarboxylate|Tributyl acetyl citrate|Tributyl acetylcitrate|Tributyl|37070-91-0|791812-73-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026446
ARPathway2016 ARPathway2016_1565 Acetyl tributyl citrate 77-90-7 DTXSID2026446 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC Acetyl tributyl citrate 77-90-7|Acetyl tributyl citrate|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tributyl ester|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester|2-(Acetyloxy)-1,2,3-propanetricarboxylic acid tributyl ester|2-(Acetyloxy)-1,2,3-tributyloate-1,2,3-propanetricarboxylic acid|2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester|Acetyl butyl citrate|ACETYL TRI-N-BUTYL CITRATE|Acetylcitric acid tributyl ester|Acetylcitric acid, tributyl ester|Acetyltributylcitrate|Blo-trol|BRN 2303316|Caswell No. 005AB|Citric acid, tributyl ester, acetate|Citroflex 4A-S|Citroflex A|Citroflex A 4|EINECS 201-067-0|Estaflex ATC|FEMA No. 3080|Monocizer ATBC|Morflex ATBC|NSC 3894|O-acetilcitrato de tributilo|O-Acetylcitrate de tributyle|O-ACETYLCITRONENSAEURE-TRIBUTYLESTER|PROPANE-1,2,3-TRICARBOXYLATE, 2-(ACETOXY)-, TRIBUTYL|Sansocizer ATBC|Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylate|Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylic acid|Tributyl 2-acetoxy-1,2,3-propanetricarboxylate|Tributyl acetyl citrate|Tributyl acetylcitrate|Tributyl|37070-91-0|791812-73-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026446
ERPathway2016 ERPathway2016_1659 Acetyl tributyl citrate 77-90-7 DTXSID2026446 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC Acetyl tributyl citrate 77-90-7|Acetyl tributyl citrate|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tributyl ester|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester|2-(Acetyloxy)-1,2,3-propanetricarboxylic acid tributyl ester|2-(Acetyloxy)-1,2,3-tributyloate-1,2,3-propanetricarboxylic acid|2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester|Acetyl butyl citrate|ACETYL TRI-N-BUTYL CITRATE|Acetylcitric acid tributyl ester|Acetylcitric acid, tributyl ester|Acetyltributylcitrate|Blo-trol|BRN 2303316|Caswell No. 005AB|Citric acid, tributyl ester, acetate|Citroflex 4A-S|Citroflex A|Citroflex A 4|EINECS 201-067-0|Estaflex ATC|FEMA No. 3080|Monocizer ATBC|Morflex ATBC|NSC 3894|O-acetilcitrato de tributilo|O-Acetylcitrate de tributyle|O-ACETYLCITRONENSAEURE-TRIBUTYLESTER|PROPANE-1,2,3-TRICARBOXYLATE, 2-(ACETOXY)-, TRIBUTYL|Sansocizer ATBC|Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylate|Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylic acid|Tributyl 2-acetoxy-1,2,3-propanetricarboxylate|Tributyl acetyl citrate|Tributyl acetylcitrate|Tributyl|37070-91-0|791812-73-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026446
ERPathway2016 ERPathway2016_1659 Acetyl tributyl citrate 77-90-7 DTXSID2026446 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC Acetyl tributyl citrate 77-90-7|Acetyl tributyl citrate|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tributyl ester|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester|2-(Acetyloxy)-1,2,3-propanetricarboxylic acid tributyl ester|2-(Acetyloxy)-1,2,3-tributyloate-1,2,3-propanetricarboxylic acid|2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester|Acetyl butyl citrate|ACETYL TRI-N-BUTYL CITRATE|Acetylcitric acid tributyl ester|Acetylcitric acid, tributyl ester|Acetyltributylcitrate|Blo-trol|BRN 2303316|Caswell No. 005AB|Citric acid, tributyl ester, acetate|Citroflex 4A-S|Citroflex A|Citroflex A 4|EINECS 201-067-0|Estaflex ATC|FEMA No. 3080|Monocizer ATBC|Morflex ATBC|NSC 3894|O-acetilcitrato de tributilo|O-Acetylcitrate de tributyle|O-ACETYLCITRONENSAEURE-TRIBUTYLESTER|PROPANE-1,2,3-TRICARBOXYLATE, 2-(ACETOXY)-, TRIBUTYL|Sansocizer ATBC|Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylate|Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylic acid|Tributyl 2-acetoxy-1,2,3-propanetricarboxylate|Tributyl acetyl citrate|Tributyl acetylcitrate|Tributyl|37070-91-0|791812-73-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026446
ERPathway2016 ERPathway2016_1659 Acetyl tributyl citrate 77-90-7 DTXSID2026446 ER Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC Acetyl tributyl citrate 77-90-7|Acetyl tributyl citrate|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tributyl ester|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester|2-(Acetyloxy)-1,2,3-propanetricarboxylic acid tributyl ester|2-(Acetyloxy)-1,2,3-tributyloate-1,2,3-propanetricarboxylic acid|2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester|Acetyl butyl citrate|ACETYL TRI-N-BUTYL CITRATE|Acetylcitric acid tributyl ester|Acetylcitric acid, tributyl ester|Acetyltributylcitrate|Blo-trol|BRN 2303316|Caswell No. 005AB|Citric acid, tributyl ester, acetate|Citroflex 4A-S|Citroflex A|Citroflex A 4|EINECS 201-067-0|Estaflex ATC|FEMA No. 3080|Monocizer ATBC|Morflex ATBC|NSC 3894|O-acetilcitrato de tributilo|O-Acetylcitrate de tributyle|O-ACETYLCITRONENSAEURE-TRIBUTYLESTER|PROPANE-1,2,3-TRICARBOXYLATE, 2-(ACETOXY)-, TRIBUTYL|Sansocizer ATBC|Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylate|Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylic acid|Tributyl 2-acetoxy-1,2,3-propanetricarboxylate|Tributyl acetyl citrate|Tributyl acetylcitrate|Tributyl|37070-91-0|791812-73-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026446
ERPathway2016 ERPathway2016_1659 Acetyl tributyl citrate 77-90-7 DTXSID2026446 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC Acetyl tributyl citrate 77-90-7|Acetyl tributyl citrate|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tributyl ester|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester|2-(Acetyloxy)-1,2,3-propanetricarboxylic acid tributyl ester|2-(Acetyloxy)-1,2,3-tributyloate-1,2,3-propanetricarboxylic acid|2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester|Acetyl butyl citrate|ACETYL TRI-N-BUTYL CITRATE|Acetylcitric acid tributyl ester|Acetylcitric acid, tributyl ester|Acetyltributylcitrate|Blo-trol|BRN 2303316|Caswell No. 005AB|Citric acid, tributyl ester, acetate|Citroflex 4A-S|Citroflex A|Citroflex A 4|EINECS 201-067-0|Estaflex ATC|FEMA No. 3080|Monocizer ATBC|Morflex ATBC|NSC 3894|O-acetilcitrato de tributilo|O-Acetylcitrate de tributyle|O-ACETYLCITRONENSAEURE-TRIBUTYLESTER|PROPANE-1,2,3-TRICARBOXYLATE, 2-(ACETOXY)-, TRIBUTYL|Sansocizer ATBC|Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylate|Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylic acid|Tributyl 2-acetoxy-1,2,3-propanetricarboxylate|Tributyl acetyl citrate|Tributyl acetylcitrate|Tributyl|37070-91-0|791812-73-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026446
ARPathway2016 ARPathway2016_1139 Acetylcedrene 32388-55-9 DTXSID4029353 1.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@]12C[C@@]3(CC(C(C)=O)=C1C)[C@H](C)CC[C@@]3([H])C2(C)C Acetylcedrene 32388-55-9|Acetylcedrene|[3R-(3a,3ab,7b,8aa)]-1-(2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-((3R,3AR,7R,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-(Cedr-8-en-9-yl)ethanone|1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]ethanone|1-[(3R,3aR,7R,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl]ethan-1-one|1-Cedr-8-en-9-ylethanone|1H-3a,7-Methanoazulene, ethanone deriv.|9-Acetyl-8-cedrene|9-Acetylcedr-8-ene|Acetyl-alpha-cedrene|Acetyl-a-cedrene|CEDRENE, 9-ACETYL-|EINECS 251-020-3|Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-, [3R-(3a,3ab,7b,8aa)]-|Ethanone, 1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]-|Lixetone|Methyl cedryl ketone|UNII-X6I62755AK|Vertofix|126239-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029353
ARPathway2016 ARPathway2016_1139 Acetylcedrene 32388-55-9 DTXSID4029353 1.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless [H][C@]12C[C@@]3(CC(C(C)=O)=C1C)[C@H](C)CC[C@@]3([H])C2(C)C Acetylcedrene 32388-55-9|Acetylcedrene|[3R-(3a,3ab,7b,8aa)]-1-(2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-((3R,3AR,7R,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-(Cedr-8-en-9-yl)ethanone|1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]ethanone|1-[(3R,3aR,7R,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl]ethan-1-one|1-Cedr-8-en-9-ylethanone|1H-3a,7-Methanoazulene, ethanone deriv.|9-Acetyl-8-cedrene|9-Acetylcedr-8-ene|Acetyl-alpha-cedrene|Acetyl-a-cedrene|CEDRENE, 9-ACETYL-|EINECS 251-020-3|Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-, [3R-(3a,3ab,7b,8aa)]-|Ethanone, 1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]-|Lixetone|Methyl cedryl ketone|UNII-X6I62755AK|Vertofix|126239-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029353
ARPathway2016 ARPathway2016_1139 Acetylcedrene 32388-55-9 DTXSID4029353 1.0 A5 AR Pathway Model, Agonist Call Inactive Unitless [H][C@]12C[C@@]3(CC(C(C)=O)=C1C)[C@H](C)CC[C@@]3([H])C2(C)C Acetylcedrene 32388-55-9|Acetylcedrene|[3R-(3a,3ab,7b,8aa)]-1-(2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-((3R,3AR,7R,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-(Cedr-8-en-9-yl)ethanone|1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]ethanone|1-[(3R,3aR,7R,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl]ethan-1-one|1-Cedr-8-en-9-ylethanone|1H-3a,7-Methanoazulene, ethanone deriv.|9-Acetyl-8-cedrene|9-Acetylcedr-8-ene|Acetyl-alpha-cedrene|Acetyl-a-cedrene|CEDRENE, 9-ACETYL-|EINECS 251-020-3|Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-, [3R-(3a,3ab,7b,8aa)]-|Ethanone, 1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]-|Lixetone|Methyl cedryl ketone|UNII-X6I62755AK|Vertofix|126239-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029353
ARPathway2016 ARPathway2016_1139 Acetylcedrene 32388-55-9 DTXSID4029353 1.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless [H][C@]12C[C@@]3(CC(C(C)=O)=C1C)[C@H](C)CC[C@@]3([H])C2(C)C Acetylcedrene 32388-55-9|Acetylcedrene|[3R-(3a,3ab,7b,8aa)]-1-(2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-((3R,3AR,7R,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-(Cedr-8-en-9-yl)ethanone|1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]ethanone|1-[(3R,3aR,7R,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl]ethan-1-one|1-Cedr-8-en-9-ylethanone|1H-3a,7-Methanoazulene, ethanone deriv.|9-Acetyl-8-cedrene|9-Acetylcedr-8-ene|Acetyl-alpha-cedrene|Acetyl-a-cedrene|CEDRENE, 9-ACETYL-|EINECS 251-020-3|Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-, [3R-(3a,3ab,7b,8aa)]-|Ethanone, 1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]-|Lixetone|Methyl cedryl ketone|UNII-X6I62755AK|Vertofix|126239-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029353
ERPathway2016 ERPathway2016_271 Acetylcedrene 32388-55-9 DTXSID4029353 ER Pathway Model, Antagonist AC50 13.9656498184324 uM [H][C@]12C[C@@]3(CC(C(C)=O)=C1C)[C@H](C)CC[C@@]3([H])C2(C)C Acetylcedrene 32388-55-9|Acetylcedrene|[3R-(3a,3ab,7b,8aa)]-1-(2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-((3R,3AR,7R,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-(Cedr-8-en-9-yl)ethanone|1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]ethanone|1-[(3R,3aR,7R,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl]ethan-1-one|1-Cedr-8-en-9-ylethanone|1H-3a,7-Methanoazulene, ethanone deriv.|9-Acetyl-8-cedrene|9-Acetylcedr-8-ene|Acetyl-alpha-cedrene|Acetyl-a-cedrene|CEDRENE, 9-ACETYL-|EINECS 251-020-3|Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-, [3R-(3a,3ab,7b,8aa)]-|Ethanone, 1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]-|Lixetone|Methyl cedryl ketone|UNII-X6I62755AK|Vertofix|126239-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029353
ERPathway2016 ERPathway2016_271 Acetylcedrene 32388-55-9 DTXSID4029353 ER Pathway Model, Antagonist ACC 10.4219672132238 uM [H][C@]12C[C@@]3(CC(C(C)=O)=C1C)[C@H](C)CC[C@@]3([H])C2(C)C Acetylcedrene 32388-55-9|Acetylcedrene|[3R-(3a,3ab,7b,8aa)]-1-(2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-((3R,3AR,7R,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-(Cedr-8-en-9-yl)ethanone|1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]ethanone|1-[(3R,3aR,7R,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl]ethan-1-one|1-Cedr-8-en-9-ylethanone|1H-3a,7-Methanoazulene, ethanone deriv.|9-Acetyl-8-cedrene|9-Acetylcedr-8-ene|Acetyl-alpha-cedrene|Acetyl-a-cedrene|CEDRENE, 9-ACETYL-|EINECS 251-020-3|Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-, [3R-(3a,3ab,7b,8aa)]-|Ethanone, 1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]-|Lixetone|Methyl cedryl ketone|UNII-X6I62755AK|Vertofix|126239-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029353
ERPathway2016 ERPathway2016_271 Acetylcedrene 32388-55-9 DTXSID4029353 ER Pathway Model, Agonist Model Score 0.0562 Unitless [H][C@]12C[C@@]3(CC(C(C)=O)=C1C)[C@H](C)CC[C@@]3([H])C2(C)C Acetylcedrene 32388-55-9|Acetylcedrene|[3R-(3a,3ab,7b,8aa)]-1-(2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-((3R,3AR,7R,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-(Cedr-8-en-9-yl)ethanone|1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]ethanone|1-[(3R,3aR,7R,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl]ethan-1-one|1-Cedr-8-en-9-ylethanone|1H-3a,7-Methanoazulene, ethanone deriv.|9-Acetyl-8-cedrene|9-Acetylcedr-8-ene|Acetyl-alpha-cedrene|Acetyl-a-cedrene|CEDRENE, 9-ACETYL-|EINECS 251-020-3|Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-, [3R-(3a,3ab,7b,8aa)]-|Ethanone, 1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]-|Lixetone|Methyl cedryl ketone|UNII-X6I62755AK|Vertofix|126239-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029353
ERPathway2016 ERPathway2016_271 Acetylcedrene 32388-55-9 DTXSID4029353 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@]12C[C@@]3(CC(C(C)=O)=C1C)[C@H](C)CC[C@@]3([H])C2(C)C Acetylcedrene 32388-55-9|Acetylcedrene|[3R-(3a,3ab,7b,8aa)]-1-(2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-((3R,3AR,7R,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-(Cedr-8-en-9-yl)ethanone|1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]ethanone|1-[(3R,3aR,7R,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl]ethan-1-one|1-Cedr-8-en-9-ylethanone|1H-3a,7-Methanoazulene, ethanone deriv.|9-Acetyl-8-cedrene|9-Acetylcedr-8-ene|Acetyl-alpha-cedrene|Acetyl-a-cedrene|CEDRENE, 9-ACETYL-|EINECS 251-020-3|Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-, [3R-(3a,3ab,7b,8aa)]-|Ethanone, 1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]-|Lixetone|Methyl cedryl ketone|UNII-X6I62755AK|Vertofix|126239-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029353
ERPathway2016 ERPathway2016_271 Acetylcedrene 32388-55-9 DTXSID4029353 ER Pathway Model, Agonist Call Inactive Unitless [H][C@]12C[C@@]3(CC(C(C)=O)=C1C)[C@H](C)CC[C@@]3([H])C2(C)C Acetylcedrene 32388-55-9|Acetylcedrene|[3R-(3a,3ab,7b,8aa)]-1-(2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-((3R,3AR,7R,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-(Cedr-8-en-9-yl)ethanone|1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]ethanone|1-[(3R,3aR,7R,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl]ethan-1-one|1-Cedr-8-en-9-ylethanone|1H-3a,7-Methanoazulene, ethanone deriv.|9-Acetyl-8-cedrene|9-Acetylcedr-8-ene|Acetyl-alpha-cedrene|Acetyl-a-cedrene|CEDRENE, 9-ACETYL-|EINECS 251-020-3|Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-, [3R-(3a,3ab,7b,8aa)]-|Ethanone, 1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]-|Lixetone|Methyl cedryl ketone|UNII-X6I62755AK|Vertofix|126239-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029353
ERPathway2016 ERPathway2016_271 Acetylcedrene 32388-55-9 DTXSID4029353 ER Pathway Model, Antagonist Call Active Unitless [H][C@]12C[C@@]3(CC(C(C)=O)=C1C)[C@H](C)CC[C@@]3([H])C2(C)C Acetylcedrene 32388-55-9|Acetylcedrene|[3R-(3a,3ab,7b,8aa)]-1-(2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-((3R,3AR,7R,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethan-1-one|1-(Cedr-8-en-9-yl)ethanone|1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]ethanone|1-[(3R,3aR,7R,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl]ethan-1-one|1-Cedr-8-en-9-ylethanone|1H-3a,7-Methanoazulene, ethanone deriv.|9-Acetyl-8-cedrene|9-Acetylcedr-8-ene|Acetyl-alpha-cedrene|Acetyl-a-cedrene|CEDRENE, 9-ACETYL-|EINECS 251-020-3|Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-, [3R-(3a,3ab,7b,8aa)]-|Ethanone, 1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]-|Lixetone|Methyl cedryl ketone|UNII-X6I62755AK|Vertofix|126239-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029353
ARPathway2016 ARPathway2016_66 Acibenzolar-S-methyl 135158-54-2 DTXSID1032519 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 27.6202834696301 uM CSC(=O)C1=CC=CC2=C1SN=N2 Acibenzolar-S-methyl 135158-54-2|Acibenzolar-S-methyl|1,2,3-Benzothiadiazole-7-carbothioic acid, S-methyl ester|1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl ester|7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazole|Actigard|Bendica|Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester|Benzothiadiazole|BTH|CGA 245704|CGA245704|EINECS 016-083-00-1|S-Methyl 1,2,3-benzothiadiazole-7-carbothioate|S-methyl benzo[1,2,3]thiadiazole-7-carbothioate|Salicyclic acid analog BTH|UNII-BCW6119347|1135442-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032519
ARPathway2016 ARPathway2016_66 Acibenzolar-S-methyl 135158-54-2 DTXSID1032519 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 38.03337204 uM CSC(=O)C1=CC=CC2=C1SN=N2 Acibenzolar-S-methyl 135158-54-2|Acibenzolar-S-methyl|1,2,3-Benzothiadiazole-7-carbothioic acid, S-methyl ester|1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl ester|7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazole|Actigard|Bendica|Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester|Benzothiadiazole|BTH|CGA 245704|CGA245704|EINECS 016-083-00-1|S-Methyl 1,2,3-benzothiadiazole-7-carbothioate|S-methyl benzo[1,2,3]thiadiazole-7-carbothioate|Salicyclic acid analog BTH|UNII-BCW6119347|1135442-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032519
ARPathway2016 ARPathway2016_66 Acibenzolar-S-methyl 135158-54-2 DTXSID1032519 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.211 Unitless CSC(=O)C1=CC=CC2=C1SN=N2 Acibenzolar-S-methyl 135158-54-2|Acibenzolar-S-methyl|1,2,3-Benzothiadiazole-7-carbothioic acid, S-methyl ester|1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl ester|7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazole|Actigard|Bendica|Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester|Benzothiadiazole|BTH|CGA 245704|CGA245704|EINECS 016-083-00-1|S-Methyl 1,2,3-benzothiadiazole-7-carbothioate|S-methyl benzo[1,2,3]thiadiazole-7-carbothioate|Salicyclic acid analog BTH|UNII-BCW6119347|1135442-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032519
ARPathway2016 ARPathway2016_66 Acibenzolar-S-methyl 135158-54-2 DTXSID1032519 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CSC(=O)C1=CC=CC2=C1SN=N2 Acibenzolar-S-methyl 135158-54-2|Acibenzolar-S-methyl|1,2,3-Benzothiadiazole-7-carbothioic acid, S-methyl ester|1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl ester|7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazole|Actigard|Bendica|Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester|Benzothiadiazole|BTH|CGA 245704|CGA245704|EINECS 016-083-00-1|S-Methyl 1,2,3-benzothiadiazole-7-carbothioate|S-methyl benzo[1,2,3]thiadiazole-7-carbothioate|Salicyclic acid analog BTH|UNII-BCW6119347|1135442-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032519
ARPathway2016 ARPathway2016_66 Acibenzolar-S-methyl 135158-54-2 DTXSID1032519 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CSC(=O)C1=CC=CC2=C1SN=N2 Acibenzolar-S-methyl 135158-54-2|Acibenzolar-S-methyl|1,2,3-Benzothiadiazole-7-carbothioic acid, S-methyl ester|1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl ester|7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazole|Actigard|Bendica|Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester|Benzothiadiazole|BTH|CGA 245704|CGA245704|EINECS 016-083-00-1|S-Methyl 1,2,3-benzothiadiazole-7-carbothioate|S-methyl benzo[1,2,3]thiadiazole-7-carbothioate|Salicyclic acid analog BTH|UNII-BCW6119347|1135442-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032519
ARPathway2016 ARPathway2016_66 Acibenzolar-S-methyl 135158-54-2 DTXSID1032519 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CSC(=O)C1=CC=CC2=C1SN=N2 Acibenzolar-S-methyl 135158-54-2|Acibenzolar-S-methyl|1,2,3-Benzothiadiazole-7-carbothioic acid, S-methyl ester|1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl ester|7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazole|Actigard|Bendica|Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester|Benzothiadiazole|BTH|CGA 245704|CGA245704|EINECS 016-083-00-1|S-Methyl 1,2,3-benzothiadiazole-7-carbothioate|S-methyl benzo[1,2,3]thiadiazole-7-carbothioate|Salicyclic acid analog BTH|UNII-BCW6119347|1135442-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032519
ERPathway2016 ERPathway2016_1281 Acibenzolar-S-methyl 135158-54-2 DTXSID1032519 ER Pathway Model, Agonist Model Score 0 Unitless CSC(=O)C1=CC=CC2=C1SN=N2 Acibenzolar-S-methyl 135158-54-2|Acibenzolar-S-methyl|1,2,3-Benzothiadiazole-7-carbothioic acid, S-methyl ester|1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl ester|7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazole|Actigard|Bendica|Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester|Benzothiadiazole|BTH|CGA 245704|CGA245704|EINECS 016-083-00-1|S-Methyl 1,2,3-benzothiadiazole-7-carbothioate|S-methyl benzo[1,2,3]thiadiazole-7-carbothioate|Salicyclic acid analog BTH|UNII-BCW6119347|1135442-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032519
ERPathway2016 ERPathway2016_1281 Acibenzolar-S-methyl 135158-54-2 DTXSID1032519 ER Pathway Model, Antagonist Model Score 0 Unitless CSC(=O)C1=CC=CC2=C1SN=N2 Acibenzolar-S-methyl 135158-54-2|Acibenzolar-S-methyl|1,2,3-Benzothiadiazole-7-carbothioic acid, S-methyl ester|1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl ester|7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazole|Actigard|Bendica|Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester|Benzothiadiazole|BTH|CGA 245704|CGA245704|EINECS 016-083-00-1|S-Methyl 1,2,3-benzothiadiazole-7-carbothioate|S-methyl benzo[1,2,3]thiadiazole-7-carbothioate|Salicyclic acid analog BTH|UNII-BCW6119347|1135442-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032519
ERPathway2016 ERPathway2016_1281 Acibenzolar-S-methyl 135158-54-2 DTXSID1032519 ER Pathway Model, Agonist Call Inactive Unitless CSC(=O)C1=CC=CC2=C1SN=N2 Acibenzolar-S-methyl 135158-54-2|Acibenzolar-S-methyl|1,2,3-Benzothiadiazole-7-carbothioic acid, S-methyl ester|1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl ester|7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazole|Actigard|Bendica|Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester|Benzothiadiazole|BTH|CGA 245704|CGA245704|EINECS 016-083-00-1|S-Methyl 1,2,3-benzothiadiazole-7-carbothioate|S-methyl benzo[1,2,3]thiadiazole-7-carbothioate|Salicyclic acid analog BTH|UNII-BCW6119347|1135442-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032519
ERPathway2016 ERPathway2016_1281 Acibenzolar-S-methyl 135158-54-2 DTXSID1032519 ER Pathway Model, Antagonist Call Inactive Unitless CSC(=O)C1=CC=CC2=C1SN=N2 Acibenzolar-S-methyl 135158-54-2|Acibenzolar-S-methyl|1,2,3-Benzothiadiazole-7-carbothioic acid, S-methyl ester|1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl ester|7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazole|Actigard|Bendica|Benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester|Benzothiadiazole|BTH|CGA 245704|CGA245704|EINECS 016-083-00-1|S-Methyl 1,2,3-benzothiadiazole-7-carbothioate|S-methyl benzo[1,2,3]thiadiazole-7-carbothioate|Salicyclic acid analog BTH|UNII-BCW6119347|1135442-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032519
ARPathway2016 ARPathway2016_1474 Acid Red 337 67786-14-5 DTXSID2044713 0.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].NC1=C(N=NC2=CC=CC=C2C(F)(F)F)C2=C(C=C1)C=C(C=C2O)S([O-])(=O)=O Acid Red 337 67786-14-5|Acid Red 337|2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[[2-(trifluoromethyl)phenyl]azo]-, monosodium salt|2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[2-[2-(trifluoromethyl)phenyl]diazenyl]-, sodium salt (1:1)|5-((2-Trifluoromethylphenyl)azo)-6-amino-4-hydroxy-2-naphthalenesulfonic acid, sodium salt|6-Amino-4-hydroxy-5-((2-(trifluoromethyl)phenyl)azo)-2-naphthalenesulfonic acid, sodium salt|6-Amino-4-hydroxy-5-((alpha,alpha,alpha-trifluoro-o-tolyl)azo)-2-naphthalenesulfonic acid, monosodium salt|C.I. Acid Red 337|EINECS 267-090-3|Sodium 6-amino-4-hydroxy-5-((2-(trifluoromethyl)phenyl)azo)naphthalene-2-sulphonate|12270-02-9|1244054-25-8|39280-63-2|71598-24-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044713
ARPathway2016 ARPathway2016_1474 Acid Red 337 67786-14-5 DTXSID2044713 0.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].NC1=C(N=NC2=CC=CC=C2C(F)(F)F)C2=C(C=C1)C=C(C=C2O)S([O-])(=O)=O Acid Red 337 67786-14-5|Acid Red 337|2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[[2-(trifluoromethyl)phenyl]azo]-, monosodium salt|2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[2-[2-(trifluoromethyl)phenyl]diazenyl]-, sodium salt (1:1)|5-((2-Trifluoromethylphenyl)azo)-6-amino-4-hydroxy-2-naphthalenesulfonic acid, sodium salt|6-Amino-4-hydroxy-5-((2-(trifluoromethyl)phenyl)azo)-2-naphthalenesulfonic acid, sodium salt|6-Amino-4-hydroxy-5-((alpha,alpha,alpha-trifluoro-o-tolyl)azo)-2-naphthalenesulfonic acid, monosodium salt|C.I. Acid Red 337|EINECS 267-090-3|Sodium 6-amino-4-hydroxy-5-((2-(trifluoromethyl)phenyl)azo)naphthalene-2-sulphonate|12270-02-9|1244054-25-8|39280-63-2|71598-24-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044713
ARPathway2016 ARPathway2016_1474 Acid Red 337 67786-14-5 DTXSID2044713 0.0 A3 AR Pathway Model, Agonist Call Inactive Unitless [Na+].NC1=C(N=NC2=CC=CC=C2C(F)(F)F)C2=C(C=C1)C=C(C=C2O)S([O-])(=O)=O Acid Red 337 67786-14-5|Acid Red 337|2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[[2-(trifluoromethyl)phenyl]azo]-, monosodium salt|2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[2-[2-(trifluoromethyl)phenyl]diazenyl]-, sodium salt (1:1)|5-((2-Trifluoromethylphenyl)azo)-6-amino-4-hydroxy-2-naphthalenesulfonic acid, sodium salt|6-Amino-4-hydroxy-5-((2-(trifluoromethyl)phenyl)azo)-2-naphthalenesulfonic acid, sodium salt|6-Amino-4-hydroxy-5-((alpha,alpha,alpha-trifluoro-o-tolyl)azo)-2-naphthalenesulfonic acid, monosodium salt|C.I. Acid Red 337|EINECS 267-090-3|Sodium 6-amino-4-hydroxy-5-((2-(trifluoromethyl)phenyl)azo)naphthalene-2-sulphonate|12270-02-9|1244054-25-8|39280-63-2|71598-24-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044713
ARPathway2016 ARPathway2016_1474 Acid Red 337 67786-14-5 DTXSID2044713 0.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].NC1=C(N=NC2=CC=CC=C2C(F)(F)F)C2=C(C=C1)C=C(C=C2O)S([O-])(=O)=O Acid Red 337 67786-14-5|Acid Red 337|2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[[2-(trifluoromethyl)phenyl]azo]-, monosodium salt|2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[2-[2-(trifluoromethyl)phenyl]diazenyl]-, sodium salt (1:1)|5-((2-Trifluoromethylphenyl)azo)-6-amino-4-hydroxy-2-naphthalenesulfonic acid, sodium salt|6-Amino-4-hydroxy-5-((2-(trifluoromethyl)phenyl)azo)-2-naphthalenesulfonic acid, sodium salt|6-Amino-4-hydroxy-5-((alpha,alpha,alpha-trifluoro-o-tolyl)azo)-2-naphthalenesulfonic acid, monosodium salt|C.I. Acid Red 337|EINECS 267-090-3|Sodium 6-amino-4-hydroxy-5-((2-(trifluoromethyl)phenyl)azo)naphthalene-2-sulphonate|12270-02-9|1244054-25-8|39280-63-2|71598-24-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044713
ERPathway2016 ERPathway2016_804 Acid Red 337 67786-14-5 DTXSID2044713 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].NC1=C(N=NC2=CC=CC=C2C(F)(F)F)C2=C(C=C1)C=C(C=C2O)S([O-])(=O)=O Acid Red 337 67786-14-5|Acid Red 337|2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[[2-(trifluoromethyl)phenyl]azo]-, monosodium salt|2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[2-[2-(trifluoromethyl)phenyl]diazenyl]-, sodium salt (1:1)|5-((2-Trifluoromethylphenyl)azo)-6-amino-4-hydroxy-2-naphthalenesulfonic acid, sodium salt|6-Amino-4-hydroxy-5-((2-(trifluoromethyl)phenyl)azo)-2-naphthalenesulfonic acid, sodium salt|6-Amino-4-hydroxy-5-((alpha,alpha,alpha-trifluoro-o-tolyl)azo)-2-naphthalenesulfonic acid, monosodium salt|C.I. Acid Red 337|EINECS 267-090-3|Sodium 6-amino-4-hydroxy-5-((2-(trifluoromethyl)phenyl)azo)naphthalene-2-sulphonate|12270-02-9|1244054-25-8|39280-63-2|71598-24-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044713
ERPathway2016 ERPathway2016_804 Acid Red 337 67786-14-5 DTXSID2044713 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].NC1=C(N=NC2=CC=CC=C2C(F)(F)F)C2=C(C=C1)C=C(C=C2O)S([O-])(=O)=O Acid Red 337 67786-14-5|Acid Red 337|2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[[2-(trifluoromethyl)phenyl]azo]-, monosodium salt|2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[2-[2-(trifluoromethyl)phenyl]diazenyl]-, sodium salt (1:1)|5-((2-Trifluoromethylphenyl)azo)-6-amino-4-hydroxy-2-naphthalenesulfonic acid, sodium salt|6-Amino-4-hydroxy-5-((2-(trifluoromethyl)phenyl)azo)-2-naphthalenesulfonic acid, sodium salt|6-Amino-4-hydroxy-5-((alpha,alpha,alpha-trifluoro-o-tolyl)azo)-2-naphthalenesulfonic acid, monosodium salt|C.I. Acid Red 337|EINECS 267-090-3|Sodium 6-amino-4-hydroxy-5-((2-(trifluoromethyl)phenyl)azo)naphthalene-2-sulphonate|12270-02-9|1244054-25-8|39280-63-2|71598-24-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044713
ERPathway2016 ERPathway2016_804 Acid Red 337 67786-14-5 DTXSID2044713 ER Pathway Model, Agonist Call Inactive Unitless [Na+].NC1=C(N=NC2=CC=CC=C2C(F)(F)F)C2=C(C=C1)C=C(C=C2O)S([O-])(=O)=O Acid Red 337 67786-14-5|Acid Red 337|2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[[2-(trifluoromethyl)phenyl]azo]-, monosodium salt|2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[2-[2-(trifluoromethyl)phenyl]diazenyl]-, sodium salt (1:1)|5-((2-Trifluoromethylphenyl)azo)-6-amino-4-hydroxy-2-naphthalenesulfonic acid, sodium salt|6-Amino-4-hydroxy-5-((2-(trifluoromethyl)phenyl)azo)-2-naphthalenesulfonic acid, sodium salt|6-Amino-4-hydroxy-5-((alpha,alpha,alpha-trifluoro-o-tolyl)azo)-2-naphthalenesulfonic acid, monosodium salt|C.I. Acid Red 337|EINECS 267-090-3|Sodium 6-amino-4-hydroxy-5-((2-(trifluoromethyl)phenyl)azo)naphthalene-2-sulphonate|12270-02-9|1244054-25-8|39280-63-2|71598-24-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044713
ERPathway2016 ERPathway2016_804 Acid Red 337 67786-14-5 DTXSID2044713 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].NC1=C(N=NC2=CC=CC=C2C(F)(F)F)C2=C(C=C1)C=C(C=C2O)S([O-])(=O)=O Acid Red 337 67786-14-5|Acid Red 337|2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[[2-(trifluoromethyl)phenyl]azo]-, monosodium salt|2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[2-[2-(trifluoromethyl)phenyl]diazenyl]-, sodium salt (1:1)|5-((2-Trifluoromethylphenyl)azo)-6-amino-4-hydroxy-2-naphthalenesulfonic acid, sodium salt|6-Amino-4-hydroxy-5-((2-(trifluoromethyl)phenyl)azo)-2-naphthalenesulfonic acid, sodium salt|6-Amino-4-hydroxy-5-((alpha,alpha,alpha-trifluoro-o-tolyl)azo)-2-naphthalenesulfonic acid, monosodium salt|C.I. Acid Red 337|EINECS 267-090-3|Sodium 6-amino-4-hydroxy-5-((2-(trifluoromethyl)phenyl)azo)naphthalene-2-sulphonate|12270-02-9|1244054-25-8|39280-63-2|71598-24-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044713
ARPathway2016 ARPathway2016_1245 Acifluorfen 50594-66-6 DTXSID0020022 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=C(C=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=C1)[N+]([O-])=O Acifluorfen 50594-66-6|Acifluorfen|2-Nitro-5-(2-chloro-4-trifluoromethylphenoxy)benzoic acid|3-Carboxy-2'-chloro-4'-trifluoromethyl-4-nitrodiphenyl ether|5-(2-Chloro-alapha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoic acid|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoic acid|5-(2-Chloro-a,a,a- trifluoro-p-tolyloxy)-2- nitrobenzoic acid|5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid|acifluorfen|Acifluorfen H|acifluorfene|BAS 9048 H)|Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-|BRN 2953865|EC No.: 256-634-5|EINECS 256-634-5|PPG 847|UNII-OI60IB203A|94128-04-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020022
ARPathway2016 ARPathway2016_1245 Acifluorfen 50594-66-6 DTXSID0020022 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=C(C=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=C1)[N+]([O-])=O Acifluorfen 50594-66-6|Acifluorfen|2-Nitro-5-(2-chloro-4-trifluoromethylphenoxy)benzoic acid|3-Carboxy-2'-chloro-4'-trifluoromethyl-4-nitrodiphenyl ether|5-(2-Chloro-alapha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoic acid|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoic acid|5-(2-Chloro-a,a,a- trifluoro-p-tolyloxy)-2- nitrobenzoic acid|5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid|acifluorfen|Acifluorfen H|acifluorfene|BAS 9048 H)|Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-|BRN 2953865|EC No.: 256-634-5|EINECS 256-634-5|PPG 847|UNII-OI60IB203A|94128-04-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020022
ARPathway2016 ARPathway2016_1245 Acifluorfen 50594-66-6 DTXSID0020022 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=C(C=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=C1)[N+]([O-])=O Acifluorfen 50594-66-6|Acifluorfen|2-Nitro-5-(2-chloro-4-trifluoromethylphenoxy)benzoic acid|3-Carboxy-2'-chloro-4'-trifluoromethyl-4-nitrodiphenyl ether|5-(2-Chloro-alapha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoic acid|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoic acid|5-(2-Chloro-a,a,a- trifluoro-p-tolyloxy)-2- nitrobenzoic acid|5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid|acifluorfen|Acifluorfen H|acifluorfene|BAS 9048 H)|Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-|BRN 2953865|EC No.: 256-634-5|EINECS 256-634-5|PPG 847|UNII-OI60IB203A|94128-04-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020022
ARPathway2016 ARPathway2016_1245 Acifluorfen 50594-66-6 DTXSID0020022 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=C(C=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=C1)[N+]([O-])=O Acifluorfen 50594-66-6|Acifluorfen|2-Nitro-5-(2-chloro-4-trifluoromethylphenoxy)benzoic acid|3-Carboxy-2'-chloro-4'-trifluoromethyl-4-nitrodiphenyl ether|5-(2-Chloro-alapha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoic acid|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoic acid|5-(2-Chloro-a,a,a- trifluoro-p-tolyloxy)-2- nitrobenzoic acid|5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid|acifluorfen|Acifluorfen H|acifluorfene|BAS 9048 H)|Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-|BRN 2953865|EC No.: 256-634-5|EINECS 256-634-5|PPG 847|UNII-OI60IB203A|94128-04-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020022
ERPathway2016 ERPathway2016_674 Acifluorfen 50594-66-6 DTXSID0020022 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=C(C=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=C1)[N+]([O-])=O Acifluorfen 50594-66-6|Acifluorfen|2-Nitro-5-(2-chloro-4-trifluoromethylphenoxy)benzoic acid|3-Carboxy-2'-chloro-4'-trifluoromethyl-4-nitrodiphenyl ether|5-(2-Chloro-alapha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoic acid|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoic acid|5-(2-Chloro-a,a,a- trifluoro-p-tolyloxy)-2- nitrobenzoic acid|5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid|acifluorfen|Acifluorfen H|acifluorfene|BAS 9048 H)|Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-|BRN 2953865|EC No.: 256-634-5|EINECS 256-634-5|PPG 847|UNII-OI60IB203A|94128-04-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020022
ERPathway2016 ERPathway2016_674 Acifluorfen 50594-66-6 DTXSID0020022 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=C(C=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=C1)[N+]([O-])=O Acifluorfen 50594-66-6|Acifluorfen|2-Nitro-5-(2-chloro-4-trifluoromethylphenoxy)benzoic acid|3-Carboxy-2'-chloro-4'-trifluoromethyl-4-nitrodiphenyl ether|5-(2-Chloro-alapha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoic acid|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoic acid|5-(2-Chloro-a,a,a- trifluoro-p-tolyloxy)-2- nitrobenzoic acid|5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid|acifluorfen|Acifluorfen H|acifluorfene|BAS 9048 H)|Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-|BRN 2953865|EC No.: 256-634-5|EINECS 256-634-5|PPG 847|UNII-OI60IB203A|94128-04-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020022
ERPathway2016 ERPathway2016_674 Acifluorfen 50594-66-6 DTXSID0020022 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=C(C=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=C1)[N+]([O-])=O Acifluorfen 50594-66-6|Acifluorfen|2-Nitro-5-(2-chloro-4-trifluoromethylphenoxy)benzoic acid|3-Carboxy-2'-chloro-4'-trifluoromethyl-4-nitrodiphenyl ether|5-(2-Chloro-alapha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoic acid|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoic acid|5-(2-Chloro-a,a,a- trifluoro-p-tolyloxy)-2- nitrobenzoic acid|5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid|acifluorfen|Acifluorfen H|acifluorfene|BAS 9048 H)|Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-|BRN 2953865|EC No.: 256-634-5|EINECS 256-634-5|PPG 847|UNII-OI60IB203A|94128-04-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020022
ERPathway2016 ERPathway2016_674 Acifluorfen 50594-66-6 DTXSID0020022 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=C(C=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=C1)[N+]([O-])=O Acifluorfen 50594-66-6|Acifluorfen|2-Nitro-5-(2-chloro-4-trifluoromethylphenoxy)benzoic acid|3-Carboxy-2'-chloro-4'-trifluoromethyl-4-nitrodiphenyl ether|5-(2-Chloro-alapha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoic acid|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-2-nitrobenzoic acid|5-(2-Chloro-a,a,a- trifluoro-p-tolyloxy)-2- nitrobenzoic acid|5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid|acifluorfen|Acifluorfen H|acifluorfene|BAS 9048 H)|Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-|BRN 2953865|EC No.: 256-634-5|EINECS 256-634-5|PPG 847|UNII-OI60IB203A|94128-04-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020022
ARPathway2016 ARPathway2016_1580 Acrylamide 79-06-1 DTXSID5020027 1.0 A8 AR Pathway Model, Antagonist Model Score 0 Unitless NC(=O)C=C Acrylamide 79-06-1|Acrylamide|2-Propenamide|2-Propene amide|acrilamida|Acrylagel|Acrylamid|Acrylamide monomer|Acrylic acid amide|Acrylic amide|Akrylamid|Amid kyseliny akrylove|Amresco Acryl-40|Bio-Acrylamide 50|BRN 0605349|EINECS 201-173-7|Ethylenecarboxamide|NSC 7785|Optimum|prop-2-enamide|Propenamide|Propeneamide|Propenoic acid amide|RCRA waste number U007|UN 2074|UN3426|UNII-20R035KLCI|Vinyl amide|1198293-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020027 https://doi.org/10.22427/NTP-DATA-DTXSID5020027
ARPathway2016 ARPathway2016_1580 Acrylamide 79-06-1 DTXSID5020027 1.0 A8 AR Pathway Model, Agonist Model Score 0 Unitless NC(=O)C=C Acrylamide 79-06-1|Acrylamide|2-Propenamide|2-Propene amide|acrilamida|Acrylagel|Acrylamid|Acrylamide monomer|Acrylic acid amide|Acrylic amide|Akrylamid|Amid kyseliny akrylove|Amresco Acryl-40|Bio-Acrylamide 50|BRN 0605349|EINECS 201-173-7|Ethylenecarboxamide|NSC 7785|Optimum|prop-2-enamide|Propenamide|Propeneamide|Propenoic acid amide|RCRA waste number U007|UN 2074|UN3426|UNII-20R035KLCI|Vinyl amide|1198293-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020027 https://doi.org/10.22427/NTP-DATA-DTXSID5020027
ARPathway2016 ARPathway2016_1580 Acrylamide 79-06-1 DTXSID5020027 1.0 A8 AR Pathway Model, Agonist Call Inactive Unitless NC(=O)C=C Acrylamide 79-06-1|Acrylamide|2-Propenamide|2-Propene amide|acrilamida|Acrylagel|Acrylamid|Acrylamide monomer|Acrylic acid amide|Acrylic amide|Akrylamid|Amid kyseliny akrylove|Amresco Acryl-40|Bio-Acrylamide 50|BRN 0605349|EINECS 201-173-7|Ethylenecarboxamide|NSC 7785|Optimum|prop-2-enamide|Propenamide|Propeneamide|Propenoic acid amide|RCRA waste number U007|UN 2074|UN3426|UNII-20R035KLCI|Vinyl amide|1198293-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020027 https://doi.org/10.22427/NTP-DATA-DTXSID5020027
ARPathway2016 ARPathway2016_1580 Acrylamide 79-06-1 DTXSID5020027 1.0 A8 AR Pathway Model, Antagonist Call Inactive Unitless NC(=O)C=C Acrylamide 79-06-1|Acrylamide|2-Propenamide|2-Propene amide|acrilamida|Acrylagel|Acrylamid|Acrylamide monomer|Acrylic acid amide|Acrylic amide|Akrylamid|Amid kyseliny akrylove|Amresco Acryl-40|Bio-Acrylamide 50|BRN 0605349|EINECS 201-173-7|Ethylenecarboxamide|NSC 7785|Optimum|prop-2-enamide|Propenamide|Propeneamide|Propenoic acid amide|RCRA waste number U007|UN 2074|UN3426|UNII-20R035KLCI|Vinyl amide|1198293-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020027 https://doi.org/10.22427/NTP-DATA-DTXSID5020027
ERPathway2016 ERPathway2016_1668 Acrylamide 79-06-1 DTXSID5020027 ER Pathway Model, Agonist Model Score 0 Unitless NC(=O)C=C Acrylamide 79-06-1|Acrylamide|2-Propenamide|2-Propene amide|acrilamida|Acrylagel|Acrylamid|Acrylamide monomer|Acrylic acid amide|Acrylic amide|Akrylamid|Amid kyseliny akrylove|Amresco Acryl-40|Bio-Acrylamide 50|BRN 0605349|EINECS 201-173-7|Ethylenecarboxamide|NSC 7785|Optimum|prop-2-enamide|Propenamide|Propeneamide|Propenoic acid amide|RCRA waste number U007|UN 2074|UN3426|UNII-20R035KLCI|Vinyl amide|1198293-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020027 https://doi.org/10.22427/NTP-DATA-DTXSID5020027
ERPathway2016 ERPathway2016_1668 Acrylamide 79-06-1 DTXSID5020027 ER Pathway Model, Antagonist Model Score 0 Unitless NC(=O)C=C Acrylamide 79-06-1|Acrylamide|2-Propenamide|2-Propene amide|acrilamida|Acrylagel|Acrylamid|Acrylamide monomer|Acrylic acid amide|Acrylic amide|Akrylamid|Amid kyseliny akrylove|Amresco Acryl-40|Bio-Acrylamide 50|BRN 0605349|EINECS 201-173-7|Ethylenecarboxamide|NSC 7785|Optimum|prop-2-enamide|Propenamide|Propeneamide|Propenoic acid amide|RCRA waste number U007|UN 2074|UN3426|UNII-20R035KLCI|Vinyl amide|1198293-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020027 https://doi.org/10.22427/NTP-DATA-DTXSID5020027
ERPathway2016 ERPathway2016_1668 Acrylamide 79-06-1 DTXSID5020027 ER Pathway Model, Agonist Call Inactive Unitless NC(=O)C=C Acrylamide 79-06-1|Acrylamide|2-Propenamide|2-Propene amide|acrilamida|Acrylagel|Acrylamid|Acrylamide monomer|Acrylic acid amide|Acrylic amide|Akrylamid|Amid kyseliny akrylove|Amresco Acryl-40|Bio-Acrylamide 50|BRN 0605349|EINECS 201-173-7|Ethylenecarboxamide|NSC 7785|Optimum|prop-2-enamide|Propenamide|Propeneamide|Propenoic acid amide|RCRA waste number U007|UN 2074|UN3426|UNII-20R035KLCI|Vinyl amide|1198293-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020027 https://doi.org/10.22427/NTP-DATA-DTXSID5020027
ERPathway2016 ERPathway2016_1668 Acrylamide 79-06-1 DTXSID5020027 ER Pathway Model, Antagonist Call Inactive Unitless NC(=O)C=C Acrylamide 79-06-1|Acrylamide|2-Propenamide|2-Propene amide|acrilamida|Acrylagel|Acrylamid|Acrylamide monomer|Acrylic acid amide|Acrylic amide|Akrylamid|Amid kyseliny akrylove|Amresco Acryl-40|Bio-Acrylamide 50|BRN 0605349|EINECS 201-173-7|Ethylenecarboxamide|NSC 7785|Optimum|prop-2-enamide|Propenamide|Propeneamide|Propenoic acid amide|RCRA waste number U007|UN 2074|UN3426|UNII-20R035KLCI|Vinyl amide|1198293-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020027 https://doi.org/10.22427/NTP-DATA-DTXSID5020027
ARPathway2016 ARPathway2016_487 Acrylonitrile 107-13-1 DTXSID5020029 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless C=CC#N Acrylonitrile 107-13-1|Acrylonitrile|2-Propenenitrile|203-466-5|4-02-00-01473|acrilonitrilo|Acritet|ACRYLNITRIL|Acrylon|Acrylonitril|Acrylonitrile monomer|Acrylsaeurenitril|Akrylonitril|Akrylonitryl|BRN 0605310|Carbacryl|Caswell No. 010|Cianuro di vinile|Cyanoethene|Cyanoethylene|cyanure de vinyle|EC No.: 203-466-5|EINECS 203-466-5|EPA Pesticide Chemical Code 000601|Fumigrain|Miller's fumigrain|NCI-C50215|Nitrile acrilico|nitrile acrylique|NSC 6362|PROP-2-ENENITRILE|Propenenitrile|RCRA waste number U009|UN 1093|UNII-MP1U0D42PE|Vinyl cyanide|Vinylkyanid|1006710-56-0|1197872-06-2|1221168-60-0|1309882-90-3|1538611-90-3|2015239-29-7|29754-21-0|63908-52-1|769126-92-3|769134-66-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020029 https://doi.org/10.22427/NTP-DATA-DTXSID5020029
ARPathway2016 ARPathway2016_487 Acrylonitrile 107-13-1 DTXSID5020029 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless C=CC#N Acrylonitrile 107-13-1|Acrylonitrile|2-Propenenitrile|203-466-5|4-02-00-01473|acrilonitrilo|Acritet|ACRYLNITRIL|Acrylon|Acrylonitril|Acrylonitrile monomer|Acrylsaeurenitril|Akrylonitril|Akrylonitryl|BRN 0605310|Carbacryl|Caswell No. 010|Cianuro di vinile|Cyanoethene|Cyanoethylene|cyanure de vinyle|EC No.: 203-466-5|EINECS 203-466-5|EPA Pesticide Chemical Code 000601|Fumigrain|Miller's fumigrain|NCI-C50215|Nitrile acrilico|nitrile acrylique|NSC 6362|PROP-2-ENENITRILE|Propenenitrile|RCRA waste number U009|UN 1093|UNII-MP1U0D42PE|Vinyl cyanide|Vinylkyanid|1006710-56-0|1197872-06-2|1221168-60-0|1309882-90-3|1538611-90-3|2015239-29-7|29754-21-0|63908-52-1|769126-92-3|769134-66-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020029 https://doi.org/10.22427/NTP-DATA-DTXSID5020029
ARPathway2016 ARPathway2016_487 Acrylonitrile 107-13-1 DTXSID5020029 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless C=CC#N Acrylonitrile 107-13-1|Acrylonitrile|2-Propenenitrile|203-466-5|4-02-00-01473|acrilonitrilo|Acritet|ACRYLNITRIL|Acrylon|Acrylonitril|Acrylonitrile monomer|Acrylsaeurenitril|Akrylonitril|Akrylonitryl|BRN 0605310|Carbacryl|Caswell No. 010|Cianuro di vinile|Cyanoethene|Cyanoethylene|cyanure de vinyle|EC No.: 203-466-5|EINECS 203-466-5|EPA Pesticide Chemical Code 000601|Fumigrain|Miller's fumigrain|NCI-C50215|Nitrile acrilico|nitrile acrylique|NSC 6362|PROP-2-ENENITRILE|Propenenitrile|RCRA waste number U009|UN 1093|UNII-MP1U0D42PE|Vinyl cyanide|Vinylkyanid|1006710-56-0|1197872-06-2|1221168-60-0|1309882-90-3|1538611-90-3|2015239-29-7|29754-21-0|63908-52-1|769126-92-3|769134-66-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020029 https://doi.org/10.22427/NTP-DATA-DTXSID5020029
ARPathway2016 ARPathway2016_487 Acrylonitrile 107-13-1 DTXSID5020029 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless C=CC#N Acrylonitrile 107-13-1|Acrylonitrile|2-Propenenitrile|203-466-5|4-02-00-01473|acrilonitrilo|Acritet|ACRYLNITRIL|Acrylon|Acrylonitril|Acrylonitrile monomer|Acrylsaeurenitril|Akrylonitril|Akrylonitryl|BRN 0605310|Carbacryl|Caswell No. 010|Cianuro di vinile|Cyanoethene|Cyanoethylene|cyanure de vinyle|EC No.: 203-466-5|EINECS 203-466-5|EPA Pesticide Chemical Code 000601|Fumigrain|Miller's fumigrain|NCI-C50215|Nitrile acrilico|nitrile acrylique|NSC 6362|PROP-2-ENENITRILE|Propenenitrile|RCRA waste number U009|UN 1093|UNII-MP1U0D42PE|Vinyl cyanide|Vinylkyanid|1006710-56-0|1197872-06-2|1221168-60-0|1309882-90-3|1538611-90-3|2015239-29-7|29754-21-0|63908-52-1|769126-92-3|769134-66-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020029 https://doi.org/10.22427/NTP-DATA-DTXSID5020029
ERPathway2016 ERPathway2016_994 Acrylonitrile 107-13-1 DTXSID5020029 ER Pathway Model, Agonist Model Score 0 Unitless C=CC#N Acrylonitrile 107-13-1|Acrylonitrile|2-Propenenitrile|203-466-5|4-02-00-01473|acrilonitrilo|Acritet|ACRYLNITRIL|Acrylon|Acrylonitril|Acrylonitrile monomer|Acrylsaeurenitril|Akrylonitril|Akrylonitryl|BRN 0605310|Carbacryl|Caswell No. 010|Cianuro di vinile|Cyanoethene|Cyanoethylene|cyanure de vinyle|EC No.: 203-466-5|EINECS 203-466-5|EPA Pesticide Chemical Code 000601|Fumigrain|Miller's fumigrain|NCI-C50215|Nitrile acrilico|nitrile acrylique|NSC 6362|PROP-2-ENENITRILE|Propenenitrile|RCRA waste number U009|UN 1093|UNII-MP1U0D42PE|Vinyl cyanide|Vinylkyanid|1006710-56-0|1197872-06-2|1221168-60-0|1309882-90-3|1538611-90-3|2015239-29-7|29754-21-0|63908-52-1|769126-92-3|769134-66-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020029 https://doi.org/10.22427/NTP-DATA-DTXSID5020029
ERPathway2016 ERPathway2016_994 Acrylonitrile 107-13-1 DTXSID5020029 ER Pathway Model, Antagonist Model Score 0 Unitless C=CC#N Acrylonitrile 107-13-1|Acrylonitrile|2-Propenenitrile|203-466-5|4-02-00-01473|acrilonitrilo|Acritet|ACRYLNITRIL|Acrylon|Acrylonitril|Acrylonitrile monomer|Acrylsaeurenitril|Akrylonitril|Akrylonitryl|BRN 0605310|Carbacryl|Caswell No. 010|Cianuro di vinile|Cyanoethene|Cyanoethylene|cyanure de vinyle|EC No.: 203-466-5|EINECS 203-466-5|EPA Pesticide Chemical Code 000601|Fumigrain|Miller's fumigrain|NCI-C50215|Nitrile acrilico|nitrile acrylique|NSC 6362|PROP-2-ENENITRILE|Propenenitrile|RCRA waste number U009|UN 1093|UNII-MP1U0D42PE|Vinyl cyanide|Vinylkyanid|1006710-56-0|1197872-06-2|1221168-60-0|1309882-90-3|1538611-90-3|2015239-29-7|29754-21-0|63908-52-1|769126-92-3|769134-66-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020029 https://doi.org/10.22427/NTP-DATA-DTXSID5020029
ERPathway2016 ERPathway2016_994 Acrylonitrile 107-13-1 DTXSID5020029 ER Pathway Model, Agonist Call Inactive Unitless C=CC#N Acrylonitrile 107-13-1|Acrylonitrile|2-Propenenitrile|203-466-5|4-02-00-01473|acrilonitrilo|Acritet|ACRYLNITRIL|Acrylon|Acrylonitril|Acrylonitrile monomer|Acrylsaeurenitril|Akrylonitril|Akrylonitryl|BRN 0605310|Carbacryl|Caswell No. 010|Cianuro di vinile|Cyanoethene|Cyanoethylene|cyanure de vinyle|EC No.: 203-466-5|EINECS 203-466-5|EPA Pesticide Chemical Code 000601|Fumigrain|Miller's fumigrain|NCI-C50215|Nitrile acrilico|nitrile acrylique|NSC 6362|PROP-2-ENENITRILE|Propenenitrile|RCRA waste number U009|UN 1093|UNII-MP1U0D42PE|Vinyl cyanide|Vinylkyanid|1006710-56-0|1197872-06-2|1221168-60-0|1309882-90-3|1538611-90-3|2015239-29-7|29754-21-0|63908-52-1|769126-92-3|769134-66-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020029 https://doi.org/10.22427/NTP-DATA-DTXSID5020029
ERPathway2016 ERPathway2016_994 Acrylonitrile 107-13-1 DTXSID5020029 ER Pathway Model, Antagonist Call Inactive Unitless C=CC#N Acrylonitrile 107-13-1|Acrylonitrile|2-Propenenitrile|203-466-5|4-02-00-01473|acrilonitrilo|Acritet|ACRYLNITRIL|Acrylon|Acrylonitril|Acrylonitrile monomer|Acrylsaeurenitril|Akrylonitril|Akrylonitryl|BRN 0605310|Carbacryl|Caswell No. 010|Cianuro di vinile|Cyanoethene|Cyanoethylene|cyanure de vinyle|EC No.: 203-466-5|EINECS 203-466-5|EPA Pesticide Chemical Code 000601|Fumigrain|Miller's fumigrain|NCI-C50215|Nitrile acrilico|nitrile acrylique|NSC 6362|PROP-2-ENENITRILE|Propenenitrile|RCRA waste number U009|UN 1093|UNII-MP1U0D42PE|Vinyl cyanide|Vinylkyanid|1006710-56-0|1197872-06-2|1221168-60-0|1309882-90-3|1538611-90-3|2015239-29-7|29754-21-0|63908-52-1|769126-92-3|769134-66-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020029 https://doi.org/10.22427/NTP-DATA-DTXSID5020029
ARPathway2016 ARPathway2016_1463 Adipic acid, polypropyleneglycol, laurate 66456-53-9 DTXSID6047527 1.0 A7 AR Pathway Model, Antagonist Model Score 0 Unitless Adipic acid, polypropyleneglycol, laurate 66456-53-9|Adipic acid, polypropyleneglycol, laurate|1,2-Propanediol, polymer with hexanedioic acid, dodecanoate|Adipic acid-propylene glycol copolymer lauric acid ester|Hexanedioic acid, polymer with 1,2-propanediol, dodecanoate|68562-48-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047527
ARPathway2016 ARPathway2016_1463 Adipic acid, polypropyleneglycol, laurate 66456-53-9 DTXSID6047527 1.0 A7 AR Pathway Model, Agonist Model Score 0 Unitless Adipic acid, polypropyleneglycol, laurate 66456-53-9|Adipic acid, polypropyleneglycol, laurate|1,2-Propanediol, polymer with hexanedioic acid, dodecanoate|Adipic acid-propylene glycol copolymer lauric acid ester|Hexanedioic acid, polymer with 1,2-propanediol, dodecanoate|68562-48-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047527
ARPathway2016 ARPathway2016_1463 Adipic acid, polypropyleneglycol, laurate 66456-53-9 DTXSID6047527 1.0 A7 AR Pathway Model, Agonist Call Inactive Unitless Adipic acid, polypropyleneglycol, laurate 66456-53-9|Adipic acid, polypropyleneglycol, laurate|1,2-Propanediol, polymer with hexanedioic acid, dodecanoate|Adipic acid-propylene glycol copolymer lauric acid ester|Hexanedioic acid, polymer with 1,2-propanediol, dodecanoate|68562-48-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047527
ARPathway2016 ARPathway2016_1463 Adipic acid, polypropyleneglycol, laurate 66456-53-9 DTXSID6047527 1.0 A7 AR Pathway Model, Antagonist Call Inactive Unitless Adipic acid, polypropyleneglycol, laurate 66456-53-9|Adipic acid, polypropyleneglycol, laurate|1,2-Propanediol, polymer with hexanedioic acid, dodecanoate|Adipic acid-propylene glycol copolymer lauric acid ester|Hexanedioic acid, polymer with 1,2-propanediol, dodecanoate|68562-48-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047527
ERPathway2016 ERPathway2016_1603 Adipic acid, polypropyleneglycol, laurate 66456-53-9 DTXSID6047527 ER Pathway Model, Agonist Model Score 0 Unitless Adipic acid, polypropyleneglycol, laurate 66456-53-9|Adipic acid, polypropyleneglycol, laurate|1,2-Propanediol, polymer with hexanedioic acid, dodecanoate|Adipic acid-propylene glycol copolymer lauric acid ester|Hexanedioic acid, polymer with 1,2-propanediol, dodecanoate|68562-48-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047527
ERPathway2016 ERPathway2016_1603 Adipic acid, polypropyleneglycol, laurate 66456-53-9 DTXSID6047527 ER Pathway Model, Antagonist Model Score 0 Unitless Adipic acid, polypropyleneglycol, laurate 66456-53-9|Adipic acid, polypropyleneglycol, laurate|1,2-Propanediol, polymer with hexanedioic acid, dodecanoate|Adipic acid-propylene glycol copolymer lauric acid ester|Hexanedioic acid, polymer with 1,2-propanediol, dodecanoate|68562-48-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047527
ERPathway2016 ERPathway2016_1603 Adipic acid, polypropyleneglycol, laurate 66456-53-9 DTXSID6047527 ER Pathway Model, Agonist Call Inactive Unitless Adipic acid, polypropyleneglycol, laurate 66456-53-9|Adipic acid, polypropyleneglycol, laurate|1,2-Propanediol, polymer with hexanedioic acid, dodecanoate|Adipic acid-propylene glycol copolymer lauric acid ester|Hexanedioic acid, polymer with 1,2-propanediol, dodecanoate|68562-48-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047527
ERPathway2016 ERPathway2016_1603 Adipic acid, polypropyleneglycol, laurate 66456-53-9 DTXSID6047527 ER Pathway Model, Antagonist Call Inactive Unitless Adipic acid, polypropyleneglycol, laurate 66456-53-9|Adipic acid, polypropyleneglycol, laurate|1,2-Propanediol, polymer with hexanedioic acid, dodecanoate|Adipic acid-propylene glycol copolymer lauric acid ester|Hexanedioic acid, polymer with 1,2-propanediol, dodecanoate|68562-48-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047527
ARPathway2016 ARPathway2016_87 Alachlor 15972-60-8 DTXSID1022265 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 33.0490140126772 uM CCC1=CC=CC(CC)=C1N(COC)C(=O)CCl Alachlor 15972-60-8|Alachlor|2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|2-Chloro-N-(2,6-diethyl)phenyl-N-methoxymethylacetamide|2-Chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide|2',6'-Diethyl-N-(methoxymethyl)-2-chloroacetanilide|Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)-|ACETANILIDE, 2-CHLORO-2',6'-DIETHYL-N- (METHOXYMETHYL)-|Acetanilide, 2-chloro-2',6'-diethyl-N-(methoxymethyl)-|alachlore|alacloro|Alochlor|alpha-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|BRN 2944476|Caswell No. 011|Chimiclor|Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilid|EINECS 240-110-8|EPA Pesticide Chemical Code 090501|Lasagrin|Lasso micro-tech|Lasso Microtech|Metachlor|Methachlor|Micro-Tech|N-(Methoxymethyl)-2,6-diethylchloroacetanilide|Perfect|Pillarzo|Satochlor|UNII-24S2S61PXL https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022265
ARPathway2016 ARPathway2016_87 Alachlor 15972-60-8 DTXSID1022265 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 34.96540833 uM CCC1=CC=CC(CC)=C1N(COC)C(=O)CCl Alachlor 15972-60-8|Alachlor|2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|2-Chloro-N-(2,6-diethyl)phenyl-N-methoxymethylacetamide|2-Chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide|2',6'-Diethyl-N-(methoxymethyl)-2-chloroacetanilide|Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)-|ACETANILIDE, 2-CHLORO-2',6'-DIETHYL-N- (METHOXYMETHYL)-|Acetanilide, 2-chloro-2',6'-diethyl-N-(methoxymethyl)-|alachlore|alacloro|Alochlor|alpha-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|BRN 2944476|Caswell No. 011|Chimiclor|Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilid|EINECS 240-110-8|EPA Pesticide Chemical Code 090501|Lasagrin|Lasso micro-tech|Lasso Microtech|Metachlor|Methachlor|Micro-Tech|N-(Methoxymethyl)-2,6-diethylchloroacetanilide|Perfect|Pillarzo|Satochlor|UNII-24S2S61PXL https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022265
ARPathway2016 ARPathway2016_87 Alachlor 15972-60-8 DTXSID1022265 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.111 Unitless CCC1=CC=CC(CC)=C1N(COC)C(=O)CCl Alachlor 15972-60-8|Alachlor|2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|2-Chloro-N-(2,6-diethyl)phenyl-N-methoxymethylacetamide|2-Chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide|2',6'-Diethyl-N-(methoxymethyl)-2-chloroacetanilide|Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)-|ACETANILIDE, 2-CHLORO-2',6'-DIETHYL-N- (METHOXYMETHYL)-|Acetanilide, 2-chloro-2',6'-diethyl-N-(methoxymethyl)-|alachlore|alacloro|Alochlor|alpha-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|BRN 2944476|Caswell No. 011|Chimiclor|Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilid|EINECS 240-110-8|EPA Pesticide Chemical Code 090501|Lasagrin|Lasso micro-tech|Lasso Microtech|Metachlor|Methachlor|Micro-Tech|N-(Methoxymethyl)-2,6-diethylchloroacetanilide|Perfect|Pillarzo|Satochlor|UNII-24S2S61PXL https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022265
ARPathway2016 ARPathway2016_87 Alachlor 15972-60-8 DTXSID1022265 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCC1=CC=CC(CC)=C1N(COC)C(=O)CCl Alachlor 15972-60-8|Alachlor|2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|2-Chloro-N-(2,6-diethyl)phenyl-N-methoxymethylacetamide|2-Chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide|2',6'-Diethyl-N-(methoxymethyl)-2-chloroacetanilide|Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)-|ACETANILIDE, 2-CHLORO-2',6'-DIETHYL-N- (METHOXYMETHYL)-|Acetanilide, 2-chloro-2',6'-diethyl-N-(methoxymethyl)-|alachlore|alacloro|Alochlor|alpha-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|BRN 2944476|Caswell No. 011|Chimiclor|Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilid|EINECS 240-110-8|EPA Pesticide Chemical Code 090501|Lasagrin|Lasso micro-tech|Lasso Microtech|Metachlor|Methachlor|Micro-Tech|N-(Methoxymethyl)-2,6-diethylchloroacetanilide|Perfect|Pillarzo|Satochlor|UNII-24S2S61PXL https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022265
ARPathway2016 ARPathway2016_87 Alachlor 15972-60-8 DTXSID1022265 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCC1=CC=CC(CC)=C1N(COC)C(=O)CCl Alachlor 15972-60-8|Alachlor|2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|2-Chloro-N-(2,6-diethyl)phenyl-N-methoxymethylacetamide|2-Chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide|2',6'-Diethyl-N-(methoxymethyl)-2-chloroacetanilide|Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)-|ACETANILIDE, 2-CHLORO-2',6'-DIETHYL-N- (METHOXYMETHYL)-|Acetanilide, 2-chloro-2',6'-diethyl-N-(methoxymethyl)-|alachlore|alacloro|Alochlor|alpha-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|BRN 2944476|Caswell No. 011|Chimiclor|Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilid|EINECS 240-110-8|EPA Pesticide Chemical Code 090501|Lasagrin|Lasso micro-tech|Lasso Microtech|Metachlor|Methachlor|Micro-Tech|N-(Methoxymethyl)-2,6-diethylchloroacetanilide|Perfect|Pillarzo|Satochlor|UNII-24S2S61PXL https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022265
ARPathway2016 ARPathway2016_87 Alachlor 15972-60-8 DTXSID1022265 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCC1=CC=CC(CC)=C1N(COC)C(=O)CCl Alachlor 15972-60-8|Alachlor|2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|2-Chloro-N-(2,6-diethyl)phenyl-N-methoxymethylacetamide|2-Chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide|2',6'-Diethyl-N-(methoxymethyl)-2-chloroacetanilide|Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)-|ACETANILIDE, 2-CHLORO-2',6'-DIETHYL-N- (METHOXYMETHYL)-|Acetanilide, 2-chloro-2',6'-diethyl-N-(methoxymethyl)-|alachlore|alacloro|Alochlor|alpha-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|BRN 2944476|Caswell No. 011|Chimiclor|Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilid|EINECS 240-110-8|EPA Pesticide Chemical Code 090501|Lasagrin|Lasso micro-tech|Lasso Microtech|Metachlor|Methachlor|Micro-Tech|N-(Methoxymethyl)-2,6-diethylchloroacetanilide|Perfect|Pillarzo|Satochlor|UNII-24S2S61PXL https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022265
ERPathway2016 ERPathway2016_635 Alachlor 15972-60-8 DTXSID1022265 ER Pathway Model, Agonist Model Score 0 Unitless CCC1=CC=CC(CC)=C1N(COC)C(=O)CCl Alachlor 15972-60-8|Alachlor|2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|2-Chloro-N-(2,6-diethyl)phenyl-N-methoxymethylacetamide|2-Chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide|2',6'-Diethyl-N-(methoxymethyl)-2-chloroacetanilide|Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)-|ACETANILIDE, 2-CHLORO-2',6'-DIETHYL-N- (METHOXYMETHYL)-|Acetanilide, 2-chloro-2',6'-diethyl-N-(methoxymethyl)-|alachlore|alacloro|Alochlor|alpha-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|BRN 2944476|Caswell No. 011|Chimiclor|Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilid|EINECS 240-110-8|EPA Pesticide Chemical Code 090501|Lasagrin|Lasso micro-tech|Lasso Microtech|Metachlor|Methachlor|Micro-Tech|N-(Methoxymethyl)-2,6-diethylchloroacetanilide|Perfect|Pillarzo|Satochlor|UNII-24S2S61PXL https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022265
ERPathway2016 ERPathway2016_635 Alachlor 15972-60-8 DTXSID1022265 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=CC=CC(CC)=C1N(COC)C(=O)CCl Alachlor 15972-60-8|Alachlor|2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|2-Chloro-N-(2,6-diethyl)phenyl-N-methoxymethylacetamide|2-Chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide|2',6'-Diethyl-N-(methoxymethyl)-2-chloroacetanilide|Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)-|ACETANILIDE, 2-CHLORO-2',6'-DIETHYL-N- (METHOXYMETHYL)-|Acetanilide, 2-chloro-2',6'-diethyl-N-(methoxymethyl)-|alachlore|alacloro|Alochlor|alpha-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|BRN 2944476|Caswell No. 011|Chimiclor|Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilid|EINECS 240-110-8|EPA Pesticide Chemical Code 090501|Lasagrin|Lasso micro-tech|Lasso Microtech|Metachlor|Methachlor|Micro-Tech|N-(Methoxymethyl)-2,6-diethylchloroacetanilide|Perfect|Pillarzo|Satochlor|UNII-24S2S61PXL https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022265
ERPathway2016 ERPathway2016_635 Alachlor 15972-60-8 DTXSID1022265 ER Pathway Model, Agonist Call Inactive Unitless CCC1=CC=CC(CC)=C1N(COC)C(=O)CCl Alachlor 15972-60-8|Alachlor|2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|2-Chloro-N-(2,6-diethyl)phenyl-N-methoxymethylacetamide|2-Chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide|2',6'-Diethyl-N-(methoxymethyl)-2-chloroacetanilide|Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)-|ACETANILIDE, 2-CHLORO-2',6'-DIETHYL-N- (METHOXYMETHYL)-|Acetanilide, 2-chloro-2',6'-diethyl-N-(methoxymethyl)-|alachlore|alacloro|Alochlor|alpha-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|BRN 2944476|Caswell No. 011|Chimiclor|Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilid|EINECS 240-110-8|EPA Pesticide Chemical Code 090501|Lasagrin|Lasso micro-tech|Lasso Microtech|Metachlor|Methachlor|Micro-Tech|N-(Methoxymethyl)-2,6-diethylchloroacetanilide|Perfect|Pillarzo|Satochlor|UNII-24S2S61PXL https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022265
ERPathway2016 ERPathway2016_635 Alachlor 15972-60-8 DTXSID1022265 ER Pathway Model, Antagonist Call Inactive Unitless CCC1=CC=CC(CC)=C1N(COC)C(=O)CCl Alachlor 15972-60-8|Alachlor|2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|2-Chloro-N-(2,6-diethyl)phenyl-N-methoxymethylacetamide|2-Chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide|2',6'-Diethyl-N-(methoxymethyl)-2-chloroacetanilide|Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)-|ACETANILIDE, 2-CHLORO-2',6'-DIETHYL-N- (METHOXYMETHYL)-|Acetanilide, 2-chloro-2',6'-diethyl-N-(methoxymethyl)-|alachlore|alacloro|Alochlor|alpha-Chloro-2',6'-diethyl-N-methoxymethylacetanilide|BRN 2944476|Caswell No. 011|Chimiclor|Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilid|EINECS 240-110-8|EPA Pesticide Chemical Code 090501|Lasagrin|Lasso micro-tech|Lasso Microtech|Metachlor|Methachlor|Micro-Tech|N-(Methoxymethyl)-2,6-diethylchloroacetanilide|Perfect|Pillarzo|Satochlor|UNII-24S2S61PXL https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022265
ARPathway2016 ARPathway2016_632 Aldicarb 116-06-3 DTXSID0039223 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)ON=CC(C)(C)SC Aldicarb 116-06-3|Aldicarb|(EZ)-2-Methyl-2-(methylthio)propionaldehyde O-methylcarbamoyloxime|2-Methyl-2-(methylthio)propanal O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylthio)propanal, O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxime|2-Methyl-2-(methylthio)propionaldehyde O(methylcarbamoyl)oxime|2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim|2-Metil-2-tiometil-propionaldeid-O-(N-metil-carbamoil)-ossima|Aldicarb|Aldicarbe|Carbamic acid, methyl-, O-((2-methyl-2-(methylthio)propylidene)amino) deriv.|Carbamyl|Caswell No. 011A|EINECS 204-123-2|EPA Pesticide Chemical Code 098301|NCI-C08640|NSC 379586|Propanal, 2-methyl-2-(methylthio)-, O-[(methylamino)carbonyl]oxime|Propionaldehyde, 2-methyl-2-(methylthio)-, O-(methylcarbamoyl)oxime|RCRA waste number P070|Sulfone aldoxycarb|TEMIK G|UNII-8V071SH05P|Union carbide 21149|Union carbide UC-21149 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0039223 https://doi.org/10.22427/NTP-DATA-DTXSID0039223
ARPathway2016 ARPathway2016_632 Aldicarb 116-06-3 DTXSID0039223 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CNC(=O)ON=CC(C)(C)SC Aldicarb 116-06-3|Aldicarb|(EZ)-2-Methyl-2-(methylthio)propionaldehyde O-methylcarbamoyloxime|2-Methyl-2-(methylthio)propanal O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylthio)propanal, O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxime|2-Methyl-2-(methylthio)propionaldehyde O(methylcarbamoyl)oxime|2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim|2-Metil-2-tiometil-propionaldeid-O-(N-metil-carbamoil)-ossima|Aldicarb|Aldicarbe|Carbamic acid, methyl-, O-((2-methyl-2-(methylthio)propylidene)amino) deriv.|Carbamyl|Caswell No. 011A|EINECS 204-123-2|EPA Pesticide Chemical Code 098301|NCI-C08640|NSC 379586|Propanal, 2-methyl-2-(methylthio)-, O-[(methylamino)carbonyl]oxime|Propionaldehyde, 2-methyl-2-(methylthio)-, O-(methylcarbamoyl)oxime|RCRA waste number P070|Sulfone aldoxycarb|TEMIK G|UNII-8V071SH05P|Union carbide 21149|Union carbide UC-21149 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0039223 https://doi.org/10.22427/NTP-DATA-DTXSID0039223
ARPathway2016 ARPathway2016_632 Aldicarb 116-06-3 DTXSID0039223 0.0 AR Pathway Model, Agonist Call Inactive Unitless CNC(=O)ON=CC(C)(C)SC Aldicarb 116-06-3|Aldicarb|(EZ)-2-Methyl-2-(methylthio)propionaldehyde O-methylcarbamoyloxime|2-Methyl-2-(methylthio)propanal O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylthio)propanal, O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxime|2-Methyl-2-(methylthio)propionaldehyde O(methylcarbamoyl)oxime|2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim|2-Metil-2-tiometil-propionaldeid-O-(N-metil-carbamoil)-ossima|Aldicarb|Aldicarbe|Carbamic acid, methyl-, O-((2-methyl-2-(methylthio)propylidene)amino) deriv.|Carbamyl|Caswell No. 011A|EINECS 204-123-2|EPA Pesticide Chemical Code 098301|NCI-C08640|NSC 379586|Propanal, 2-methyl-2-(methylthio)-, O-[(methylamino)carbonyl]oxime|Propionaldehyde, 2-methyl-2-(methylthio)-, O-(methylcarbamoyl)oxime|RCRA waste number P070|Sulfone aldoxycarb|TEMIK G|UNII-8V071SH05P|Union carbide 21149|Union carbide UC-21149 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0039223 https://doi.org/10.22427/NTP-DATA-DTXSID0039223
ARPathway2016 ARPathway2016_632 Aldicarb 116-06-3 DTXSID0039223 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CNC(=O)ON=CC(C)(C)SC Aldicarb 116-06-3|Aldicarb|(EZ)-2-Methyl-2-(methylthio)propionaldehyde O-methylcarbamoyloxime|2-Methyl-2-(methylthio)propanal O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylthio)propanal, O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxime|2-Methyl-2-(methylthio)propionaldehyde O(methylcarbamoyl)oxime|2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim|2-Metil-2-tiometil-propionaldeid-O-(N-metil-carbamoil)-ossima|Aldicarb|Aldicarbe|Carbamic acid, methyl-, O-((2-methyl-2-(methylthio)propylidene)amino) deriv.|Carbamyl|Caswell No. 011A|EINECS 204-123-2|EPA Pesticide Chemical Code 098301|NCI-C08640|NSC 379586|Propanal, 2-methyl-2-(methylthio)-, O-[(methylamino)carbonyl]oxime|Propionaldehyde, 2-methyl-2-(methylthio)-, O-(methylcarbamoyl)oxime|RCRA waste number P070|Sulfone aldoxycarb|TEMIK G|UNII-8V071SH05P|Union carbide 21149|Union carbide UC-21149 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0039223 https://doi.org/10.22427/NTP-DATA-DTXSID0039223
ERPathway2016 ERPathway2016_1191 Aldicarb 116-06-3 DTXSID0039223 ER Pathway Model, Agonist Model Score 0 Unitless CNC(=O)ON=CC(C)(C)SC Aldicarb 116-06-3|Aldicarb|(EZ)-2-Methyl-2-(methylthio)propionaldehyde O-methylcarbamoyloxime|2-Methyl-2-(methylthio)propanal O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylthio)propanal, O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxime|2-Methyl-2-(methylthio)propionaldehyde O(methylcarbamoyl)oxime|2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim|2-Metil-2-tiometil-propionaldeid-O-(N-metil-carbamoil)-ossima|Aldicarb|Aldicarbe|Carbamic acid, methyl-, O-((2-methyl-2-(methylthio)propylidene)amino) deriv.|Carbamyl|Caswell No. 011A|EINECS 204-123-2|EPA Pesticide Chemical Code 098301|NCI-C08640|NSC 379586|Propanal, 2-methyl-2-(methylthio)-, O-[(methylamino)carbonyl]oxime|Propionaldehyde, 2-methyl-2-(methylthio)-, O-(methylcarbamoyl)oxime|RCRA waste number P070|Sulfone aldoxycarb|TEMIK G|UNII-8V071SH05P|Union carbide 21149|Union carbide UC-21149 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0039223 https://doi.org/10.22427/NTP-DATA-DTXSID0039223
ERPathway2016 ERPathway2016_1191 Aldicarb 116-06-3 DTXSID0039223 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)ON=CC(C)(C)SC Aldicarb 116-06-3|Aldicarb|(EZ)-2-Methyl-2-(methylthio)propionaldehyde O-methylcarbamoyloxime|2-Methyl-2-(methylthio)propanal O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylthio)propanal, O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxime|2-Methyl-2-(methylthio)propionaldehyde O(methylcarbamoyl)oxime|2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim|2-Metil-2-tiometil-propionaldeid-O-(N-metil-carbamoil)-ossima|Aldicarb|Aldicarbe|Carbamic acid, methyl-, O-((2-methyl-2-(methylthio)propylidene)amino) deriv.|Carbamyl|Caswell No. 011A|EINECS 204-123-2|EPA Pesticide Chemical Code 098301|NCI-C08640|NSC 379586|Propanal, 2-methyl-2-(methylthio)-, O-[(methylamino)carbonyl]oxime|Propionaldehyde, 2-methyl-2-(methylthio)-, O-(methylcarbamoyl)oxime|RCRA waste number P070|Sulfone aldoxycarb|TEMIK G|UNII-8V071SH05P|Union carbide 21149|Union carbide UC-21149 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0039223 https://doi.org/10.22427/NTP-DATA-DTXSID0039223
ERPathway2016 ERPathway2016_1191 Aldicarb 116-06-3 DTXSID0039223 ER Pathway Model, Agonist Call Inactive Unitless CNC(=O)ON=CC(C)(C)SC Aldicarb 116-06-3|Aldicarb|(EZ)-2-Methyl-2-(methylthio)propionaldehyde O-methylcarbamoyloxime|2-Methyl-2-(methylthio)propanal O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylthio)propanal, O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxime|2-Methyl-2-(methylthio)propionaldehyde O(methylcarbamoyl)oxime|2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim|2-Metil-2-tiometil-propionaldeid-O-(N-metil-carbamoil)-ossima|Aldicarb|Aldicarbe|Carbamic acid, methyl-, O-((2-methyl-2-(methylthio)propylidene)amino) deriv.|Carbamyl|Caswell No. 011A|EINECS 204-123-2|EPA Pesticide Chemical Code 098301|NCI-C08640|NSC 379586|Propanal, 2-methyl-2-(methylthio)-, O-[(methylamino)carbonyl]oxime|Propionaldehyde, 2-methyl-2-(methylthio)-, O-(methylcarbamoyl)oxime|RCRA waste number P070|Sulfone aldoxycarb|TEMIK G|UNII-8V071SH05P|Union carbide 21149|Union carbide UC-21149 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0039223 https://doi.org/10.22427/NTP-DATA-DTXSID0039223
ERPathway2016 ERPathway2016_1191 Aldicarb 116-06-3 DTXSID0039223 ER Pathway Model, Antagonist Call Inactive Unitless CNC(=O)ON=CC(C)(C)SC Aldicarb 116-06-3|Aldicarb|(EZ)-2-Methyl-2-(methylthio)propionaldehyde O-methylcarbamoyloxime|2-Methyl-2-(methylthio)propanal O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylthio)propanal, O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxime|2-Methyl-2-(methylthio)propionaldehyde O(methylcarbamoyl)oxime|2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim|2-Metil-2-tiometil-propionaldeid-O-(N-metil-carbamoil)-ossima|Aldicarb|Aldicarbe|Carbamic acid, methyl-, O-((2-methyl-2-(methylthio)propylidene)amino) deriv.|Carbamyl|Caswell No. 011A|EINECS 204-123-2|EPA Pesticide Chemical Code 098301|NCI-C08640|NSC 379586|Propanal, 2-methyl-2-(methylthio)-, O-[(methylamino)carbonyl]oxime|Propionaldehyde, 2-methyl-2-(methylthio)-, O-(methylcarbamoyl)oxime|RCRA waste number P070|Sulfone aldoxycarb|TEMIK G|UNII-8V071SH05P|Union carbide 21149|Union carbide UC-21149 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0039223 https://doi.org/10.22427/NTP-DATA-DTXSID0039223
ARPathway2016 ARPathway2016_920 Aldicarb oxime 1646-75-9 DTXSID9024431 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CSC(C)(C)C=NO Aldicarb oxime 1646-75-9|Aldicarb oxime|2-(Methylthio)-2-methylpropionaldehyde oxime|2-(Methylthio)isobutyraldehyde oxime|2-Methyl-2-(methylthio)propanal oxime|2-Methyl-2-(methylthio)propionaldehyde oxime|2-Methyl-2-(methylthio)propionaldoxime|2-Methyl-2-methylsulfanyl-propionaldehyde oxime|EINECS 216-709-5|N-[2-Methyl-2-(methylsulfanyl)propylidene]hydroxylamine|Propanal, 2-methyl-2-(methylthio)-, oxime|Propionaldehyde, 2-methyl-2-(methylthio)-, oxime|Temik oxime|UNII-44OY94U09A https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024431 https://doi.org/10.22427/NTP-DATA-DTXSID9024431
ARPathway2016 ARPathway2016_920 Aldicarb oxime 1646-75-9 DTXSID9024431 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CSC(C)(C)C=NO Aldicarb oxime 1646-75-9|Aldicarb oxime|2-(Methylthio)-2-methylpropionaldehyde oxime|2-(Methylthio)isobutyraldehyde oxime|2-Methyl-2-(methylthio)propanal oxime|2-Methyl-2-(methylthio)propionaldehyde oxime|2-Methyl-2-(methylthio)propionaldoxime|2-Methyl-2-methylsulfanyl-propionaldehyde oxime|EINECS 216-709-5|N-[2-Methyl-2-(methylsulfanyl)propylidene]hydroxylamine|Propanal, 2-methyl-2-(methylthio)-, oxime|Propionaldehyde, 2-methyl-2-(methylthio)-, oxime|Temik oxime|UNII-44OY94U09A https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024431 https://doi.org/10.22427/NTP-DATA-DTXSID9024431
ARPathway2016 ARPathway2016_920 Aldicarb oxime 1646-75-9 DTXSID9024431 0.0 AR Pathway Model, Agonist Call Inactive Unitless CSC(C)(C)C=NO Aldicarb oxime 1646-75-9|Aldicarb oxime|2-(Methylthio)-2-methylpropionaldehyde oxime|2-(Methylthio)isobutyraldehyde oxime|2-Methyl-2-(methylthio)propanal oxime|2-Methyl-2-(methylthio)propionaldehyde oxime|2-Methyl-2-(methylthio)propionaldoxime|2-Methyl-2-methylsulfanyl-propionaldehyde oxime|EINECS 216-709-5|N-[2-Methyl-2-(methylsulfanyl)propylidene]hydroxylamine|Propanal, 2-methyl-2-(methylthio)-, oxime|Propionaldehyde, 2-methyl-2-(methylthio)-, oxime|Temik oxime|UNII-44OY94U09A https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024431 https://doi.org/10.22427/NTP-DATA-DTXSID9024431
ARPathway2016 ARPathway2016_920 Aldicarb oxime 1646-75-9 DTXSID9024431 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CSC(C)(C)C=NO Aldicarb oxime 1646-75-9|Aldicarb oxime|2-(Methylthio)-2-methylpropionaldehyde oxime|2-(Methylthio)isobutyraldehyde oxime|2-Methyl-2-(methylthio)propanal oxime|2-Methyl-2-(methylthio)propionaldehyde oxime|2-Methyl-2-(methylthio)propionaldoxime|2-Methyl-2-methylsulfanyl-propionaldehyde oxime|EINECS 216-709-5|N-[2-Methyl-2-(methylsulfanyl)propylidene]hydroxylamine|Propanal, 2-methyl-2-(methylthio)-, oxime|Propionaldehyde, 2-methyl-2-(methylthio)-, oxime|Temik oxime|UNII-44OY94U09A https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024431 https://doi.org/10.22427/NTP-DATA-DTXSID9024431
ERPathway2016 ERPathway2016_1047 Aldicarb oxime 1646-75-9 DTXSID9024431 ER Pathway Model, Agonist Model Score 0 Unitless CSC(C)(C)C=NO Aldicarb oxime 1646-75-9|Aldicarb oxime|2-(Methylthio)-2-methylpropionaldehyde oxime|2-(Methylthio)isobutyraldehyde oxime|2-Methyl-2-(methylthio)propanal oxime|2-Methyl-2-(methylthio)propionaldehyde oxime|2-Methyl-2-(methylthio)propionaldoxime|2-Methyl-2-methylsulfanyl-propionaldehyde oxime|EINECS 216-709-5|N-[2-Methyl-2-(methylsulfanyl)propylidene]hydroxylamine|Propanal, 2-methyl-2-(methylthio)-, oxime|Propionaldehyde, 2-methyl-2-(methylthio)-, oxime|Temik oxime|UNII-44OY94U09A https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024431 https://doi.org/10.22427/NTP-DATA-DTXSID9024431
ERPathway2016 ERPathway2016_1047 Aldicarb oxime 1646-75-9 DTXSID9024431 ER Pathway Model, Antagonist Model Score 0 Unitless CSC(C)(C)C=NO Aldicarb oxime 1646-75-9|Aldicarb oxime|2-(Methylthio)-2-methylpropionaldehyde oxime|2-(Methylthio)isobutyraldehyde oxime|2-Methyl-2-(methylthio)propanal oxime|2-Methyl-2-(methylthio)propionaldehyde oxime|2-Methyl-2-(methylthio)propionaldoxime|2-Methyl-2-methylsulfanyl-propionaldehyde oxime|EINECS 216-709-5|N-[2-Methyl-2-(methylsulfanyl)propylidene]hydroxylamine|Propanal, 2-methyl-2-(methylthio)-, oxime|Propionaldehyde, 2-methyl-2-(methylthio)-, oxime|Temik oxime|UNII-44OY94U09A https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024431 https://doi.org/10.22427/NTP-DATA-DTXSID9024431
ERPathway2016 ERPathway2016_1047 Aldicarb oxime 1646-75-9 DTXSID9024431 ER Pathway Model, Agonist Call Inactive Unitless CSC(C)(C)C=NO Aldicarb oxime 1646-75-9|Aldicarb oxime|2-(Methylthio)-2-methylpropionaldehyde oxime|2-(Methylthio)isobutyraldehyde oxime|2-Methyl-2-(methylthio)propanal oxime|2-Methyl-2-(methylthio)propionaldehyde oxime|2-Methyl-2-(methylthio)propionaldoxime|2-Methyl-2-methylsulfanyl-propionaldehyde oxime|EINECS 216-709-5|N-[2-Methyl-2-(methylsulfanyl)propylidene]hydroxylamine|Propanal, 2-methyl-2-(methylthio)-, oxime|Propionaldehyde, 2-methyl-2-(methylthio)-, oxime|Temik oxime|UNII-44OY94U09A https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024431 https://doi.org/10.22427/NTP-DATA-DTXSID9024431
ERPathway2016 ERPathway2016_1047 Aldicarb oxime 1646-75-9 DTXSID9024431 ER Pathway Model, Antagonist Call Inactive Unitless CSC(C)(C)C=NO Aldicarb oxime 1646-75-9|Aldicarb oxime|2-(Methylthio)-2-methylpropionaldehyde oxime|2-(Methylthio)isobutyraldehyde oxime|2-Methyl-2-(methylthio)propanal oxime|2-Methyl-2-(methylthio)propionaldehyde oxime|2-Methyl-2-(methylthio)propionaldoxime|2-Methyl-2-methylsulfanyl-propionaldehyde oxime|EINECS 216-709-5|N-[2-Methyl-2-(methylsulfanyl)propylidene]hydroxylamine|Propanal, 2-methyl-2-(methylthio)-, oxime|Propionaldehyde, 2-methyl-2-(methylthio)-, oxime|Temik oxime|UNII-44OY94U09A https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024431 https://doi.org/10.22427/NTP-DATA-DTXSID9024431
ARPathway2016 ARPathway2016_922 Aldicarb sulfone 1646-88-4 DTXSID6023862 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)ON=CC(C)(C)S(C)(=O)=O Aldicarb sulfone 1646-88-4|Aldicarb sulfone|2-Mesyl-2-methylpropionaldehyde O-methylcarbamoyloxime|2-Methyl-2-(methylsulfonyl)propanal O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylsulfonyl)propanal O-(methylcarbamoyl)oxime|2-Methyl-2-(methylsulfonyl)propionaldehyde O-(methylcarbamoyl)oxime|2-Methyl-2-methylsulphonylpropionaldehyde O-methylcarbamoyloxime|Aldicarb sulfone|Aldoxycarbe|BRN 1971375|Caswell No. 011AA|EINECS 216-710-0|ENT AI3-29261|EPA Pesticide Chemical Code 110801|Standak|Sulfocarb|UNII-IL70ANS043|60005-95-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023862
ARPathway2016 ARPathway2016_922 Aldicarb sulfone 1646-88-4 DTXSID6023862 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CNC(=O)ON=CC(C)(C)S(C)(=O)=O Aldicarb sulfone 1646-88-4|Aldicarb sulfone|2-Mesyl-2-methylpropionaldehyde O-methylcarbamoyloxime|2-Methyl-2-(methylsulfonyl)propanal O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylsulfonyl)propanal O-(methylcarbamoyl)oxime|2-Methyl-2-(methylsulfonyl)propionaldehyde O-(methylcarbamoyl)oxime|2-Methyl-2-methylsulphonylpropionaldehyde O-methylcarbamoyloxime|Aldicarb sulfone|Aldoxycarbe|BRN 1971375|Caswell No. 011AA|EINECS 216-710-0|ENT AI3-29261|EPA Pesticide Chemical Code 110801|Standak|Sulfocarb|UNII-IL70ANS043|60005-95-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023862
ARPathway2016 ARPathway2016_922 Aldicarb sulfone 1646-88-4 DTXSID6023862 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CNC(=O)ON=CC(C)(C)S(C)(=O)=O Aldicarb sulfone 1646-88-4|Aldicarb sulfone|2-Mesyl-2-methylpropionaldehyde O-methylcarbamoyloxime|2-Methyl-2-(methylsulfonyl)propanal O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylsulfonyl)propanal O-(methylcarbamoyl)oxime|2-Methyl-2-(methylsulfonyl)propionaldehyde O-(methylcarbamoyl)oxime|2-Methyl-2-methylsulphonylpropionaldehyde O-methylcarbamoyloxime|Aldicarb sulfone|Aldoxycarbe|BRN 1971375|Caswell No. 011AA|EINECS 216-710-0|ENT AI3-29261|EPA Pesticide Chemical Code 110801|Standak|Sulfocarb|UNII-IL70ANS043|60005-95-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023862
ARPathway2016 ARPathway2016_922 Aldicarb sulfone 1646-88-4 DTXSID6023862 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CNC(=O)ON=CC(C)(C)S(C)(=O)=O Aldicarb sulfone 1646-88-4|Aldicarb sulfone|2-Mesyl-2-methylpropionaldehyde O-methylcarbamoyloxime|2-Methyl-2-(methylsulfonyl)propanal O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylsulfonyl)propanal O-(methylcarbamoyl)oxime|2-Methyl-2-(methylsulfonyl)propionaldehyde O-(methylcarbamoyl)oxime|2-Methyl-2-methylsulphonylpropionaldehyde O-methylcarbamoyloxime|Aldicarb sulfone|Aldoxycarbe|BRN 1971375|Caswell No. 011AA|EINECS 216-710-0|ENT AI3-29261|EPA Pesticide Chemical Code 110801|Standak|Sulfocarb|UNII-IL70ANS043|60005-95-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023862
ERPathway2016 ERPathway2016_1338 Aldicarb sulfone 1646-88-4 DTXSID6023862 ER Pathway Model, Agonist Model Score 0 Unitless CNC(=O)ON=CC(C)(C)S(C)(=O)=O Aldicarb sulfone 1646-88-4|Aldicarb sulfone|2-Mesyl-2-methylpropionaldehyde O-methylcarbamoyloxime|2-Methyl-2-(methylsulfonyl)propanal O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylsulfonyl)propanal O-(methylcarbamoyl)oxime|2-Methyl-2-(methylsulfonyl)propionaldehyde O-(methylcarbamoyl)oxime|2-Methyl-2-methylsulphonylpropionaldehyde O-methylcarbamoyloxime|Aldicarb sulfone|Aldoxycarbe|BRN 1971375|Caswell No. 011AA|EINECS 216-710-0|ENT AI3-29261|EPA Pesticide Chemical Code 110801|Standak|Sulfocarb|UNII-IL70ANS043|60005-95-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023862
ERPathway2016 ERPathway2016_1338 Aldicarb sulfone 1646-88-4 DTXSID6023862 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)ON=CC(C)(C)S(C)(=O)=O Aldicarb sulfone 1646-88-4|Aldicarb sulfone|2-Mesyl-2-methylpropionaldehyde O-methylcarbamoyloxime|2-Methyl-2-(methylsulfonyl)propanal O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylsulfonyl)propanal O-(methylcarbamoyl)oxime|2-Methyl-2-(methylsulfonyl)propionaldehyde O-(methylcarbamoyl)oxime|2-Methyl-2-methylsulphonylpropionaldehyde O-methylcarbamoyloxime|Aldicarb sulfone|Aldoxycarbe|BRN 1971375|Caswell No. 011AA|EINECS 216-710-0|ENT AI3-29261|EPA Pesticide Chemical Code 110801|Standak|Sulfocarb|UNII-IL70ANS043|60005-95-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023862
ERPathway2016 ERPathway2016_1338 Aldicarb sulfone 1646-88-4 DTXSID6023862 ER Pathway Model, Agonist Call Inactive Unitless CNC(=O)ON=CC(C)(C)S(C)(=O)=O Aldicarb sulfone 1646-88-4|Aldicarb sulfone|2-Mesyl-2-methylpropionaldehyde O-methylcarbamoyloxime|2-Methyl-2-(methylsulfonyl)propanal O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylsulfonyl)propanal O-(methylcarbamoyl)oxime|2-Methyl-2-(methylsulfonyl)propionaldehyde O-(methylcarbamoyl)oxime|2-Methyl-2-methylsulphonylpropionaldehyde O-methylcarbamoyloxime|Aldicarb sulfone|Aldoxycarbe|BRN 1971375|Caswell No. 011AA|EINECS 216-710-0|ENT AI3-29261|EPA Pesticide Chemical Code 110801|Standak|Sulfocarb|UNII-IL70ANS043|60005-95-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023862
ERPathway2016 ERPathway2016_1338 Aldicarb sulfone 1646-88-4 DTXSID6023862 ER Pathway Model, Antagonist Call Inactive Unitless CNC(=O)ON=CC(C)(C)S(C)(=O)=O Aldicarb sulfone 1646-88-4|Aldicarb sulfone|2-Mesyl-2-methylpropionaldehyde O-methylcarbamoyloxime|2-Methyl-2-(methylsulfonyl)propanal O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylsulfonyl)propanal O-(methylcarbamoyl)oxime|2-Methyl-2-(methylsulfonyl)propionaldehyde O-(methylcarbamoyl)oxime|2-Methyl-2-methylsulphonylpropionaldehyde O-methylcarbamoyloxime|Aldicarb sulfone|Aldoxycarbe|BRN 1971375|Caswell No. 011AA|EINECS 216-710-0|ENT AI3-29261|EPA Pesticide Chemical Code 110801|Standak|Sulfocarb|UNII-IL70ANS043|60005-95-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023862
ARPathway2016 ARPathway2016_921 Aldicarb sulfoxide 1646-87-3 DTXSID1033161 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)ON=CC(C)(C)S(C)=O Aldicarb sulfoxide 1646-87-3|Aldicarb sulfoxide|2-Methyl-2-(methylsulfinyl)propionaldehyde O-(methylcarbamoyl)oxime|7,7-Dimethyl-4-oxa-8-thia-2,5-diazanon-5-en-3-one 8-oxide|BRN 1962013|Caswell No. 011AAA|Propanal, 2-methyl-2-(methylsulfinyl)-, O-[(methylamino)carbonyl]oxime|Propionaldehyde, 2-methyl-2-(methylsulfinyl)-, O-(methylcarbamoyl)oxime|Temik sulfoxide https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033161
ARPathway2016 ARPathway2016_921 Aldicarb sulfoxide 1646-87-3 DTXSID1033161 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CNC(=O)ON=CC(C)(C)S(C)=O Aldicarb sulfoxide 1646-87-3|Aldicarb sulfoxide|2-Methyl-2-(methylsulfinyl)propionaldehyde O-(methylcarbamoyl)oxime|7,7-Dimethyl-4-oxa-8-thia-2,5-diazanon-5-en-3-one 8-oxide|BRN 1962013|Caswell No. 011AAA|Propanal, 2-methyl-2-(methylsulfinyl)-, O-[(methylamino)carbonyl]oxime|Propionaldehyde, 2-methyl-2-(methylsulfinyl)-, O-(methylcarbamoyl)oxime|Temik sulfoxide https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033161
ARPathway2016 ARPathway2016_921 Aldicarb sulfoxide 1646-87-3 DTXSID1033161 0.0 AR Pathway Model, Agonist Call Inactive Unitless CNC(=O)ON=CC(C)(C)S(C)=O Aldicarb sulfoxide 1646-87-3|Aldicarb sulfoxide|2-Methyl-2-(methylsulfinyl)propionaldehyde O-(methylcarbamoyl)oxime|7,7-Dimethyl-4-oxa-8-thia-2,5-diazanon-5-en-3-one 8-oxide|BRN 1962013|Caswell No. 011AAA|Propanal, 2-methyl-2-(methylsulfinyl)-, O-[(methylamino)carbonyl]oxime|Propionaldehyde, 2-methyl-2-(methylsulfinyl)-, O-(methylcarbamoyl)oxime|Temik sulfoxide https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033161
ARPathway2016 ARPathway2016_921 Aldicarb sulfoxide 1646-87-3 DTXSID1033161 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CNC(=O)ON=CC(C)(C)S(C)=O Aldicarb sulfoxide 1646-87-3|Aldicarb sulfoxide|2-Methyl-2-(methylsulfinyl)propionaldehyde O-(methylcarbamoyl)oxime|7,7-Dimethyl-4-oxa-8-thia-2,5-diazanon-5-en-3-one 8-oxide|BRN 1962013|Caswell No. 011AAA|Propanal, 2-methyl-2-(methylsulfinyl)-, O-[(methylamino)carbonyl]oxime|Propionaldehyde, 2-methyl-2-(methylsulfinyl)-, O-(methylcarbamoyl)oxime|Temik sulfoxide https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033161
ERPathway2016 ERPathway2016_1006 Aldicarb sulfoxide 1646-87-3 DTXSID1033161 ER Pathway Model, Agonist Model Score 0 Unitless CNC(=O)ON=CC(C)(C)S(C)=O Aldicarb sulfoxide 1646-87-3|Aldicarb sulfoxide|2-Methyl-2-(methylsulfinyl)propionaldehyde O-(methylcarbamoyl)oxime|7,7-Dimethyl-4-oxa-8-thia-2,5-diazanon-5-en-3-one 8-oxide|BRN 1962013|Caswell No. 011AAA|Propanal, 2-methyl-2-(methylsulfinyl)-, O-[(methylamino)carbonyl]oxime|Propionaldehyde, 2-methyl-2-(methylsulfinyl)-, O-(methylcarbamoyl)oxime|Temik sulfoxide https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033161
ERPathway2016 ERPathway2016_1006 Aldicarb sulfoxide 1646-87-3 DTXSID1033161 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)ON=CC(C)(C)S(C)=O Aldicarb sulfoxide 1646-87-3|Aldicarb sulfoxide|2-Methyl-2-(methylsulfinyl)propionaldehyde O-(methylcarbamoyl)oxime|7,7-Dimethyl-4-oxa-8-thia-2,5-diazanon-5-en-3-one 8-oxide|BRN 1962013|Caswell No. 011AAA|Propanal, 2-methyl-2-(methylsulfinyl)-, O-[(methylamino)carbonyl]oxime|Propionaldehyde, 2-methyl-2-(methylsulfinyl)-, O-(methylcarbamoyl)oxime|Temik sulfoxide https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033161
ERPathway2016 ERPathway2016_1006 Aldicarb sulfoxide 1646-87-3 DTXSID1033161 ER Pathway Model, Agonist Call Inactive Unitless CNC(=O)ON=CC(C)(C)S(C)=O Aldicarb sulfoxide 1646-87-3|Aldicarb sulfoxide|2-Methyl-2-(methylsulfinyl)propionaldehyde O-(methylcarbamoyl)oxime|7,7-Dimethyl-4-oxa-8-thia-2,5-diazanon-5-en-3-one 8-oxide|BRN 1962013|Caswell No. 011AAA|Propanal, 2-methyl-2-(methylsulfinyl)-, O-[(methylamino)carbonyl]oxime|Propionaldehyde, 2-methyl-2-(methylsulfinyl)-, O-(methylcarbamoyl)oxime|Temik sulfoxide https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033161
ERPathway2016 ERPathway2016_1006 Aldicarb sulfoxide 1646-87-3 DTXSID1033161 ER Pathway Model, Antagonist Call Inactive Unitless CNC(=O)ON=CC(C)(C)S(C)=O Aldicarb sulfoxide 1646-87-3|Aldicarb sulfoxide|2-Methyl-2-(methylsulfinyl)propionaldehyde O-(methylcarbamoyl)oxime|7,7-Dimethyl-4-oxa-8-thia-2,5-diazanon-5-en-3-one 8-oxide|BRN 1962013|Caswell No. 011AAA|Propanal, 2-methyl-2-(methylsulfinyl)-, O-[(methylamino)carbonyl]oxime|Propionaldehyde, 2-methyl-2-(methylsulfinyl)-, O-(methylcarbamoyl)oxime|Temik sulfoxide https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033161
ARPathway2016 ARPathway2016_150 Aldrin 309-00-2 DTXSID8020040 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist AC50 83.81539044 uM [H][C@]12C[C@]([H])(C=C1)[C@]1([H])[C@@]2([H])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl Aldrin 309-00-2|Aldrin|(1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|(1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexachloro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5a,8a,8ab)1,4 ,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5b,8b,8ab)-1,4,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4,5,8-endo, endodimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (a,4a,4b,5a,8a,8ab)-|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro (1a,4a,4ab,5b,8b,8ab)-|1,4,5,8-Dimethanonaph|34487-55-3|6851-31-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020040
ARPathway2016 ARPathway2016_150 Aldrin 309-00-2 DTXSID8020040 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist ACC 79.1065464199999 uM [H][C@]12C[C@]([H])(C=C1)[C@]1([H])[C@@]2([H])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl Aldrin 309-00-2|Aldrin|(1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|(1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexachloro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5a,8a,8ab)1,4 ,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5b,8b,8ab)-1,4,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4,5,8-endo, endodimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (a,4a,4b,5a,8a,8ab)-|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro (1a,4a,4ab,5b,8b,8ab)-|1,4,5,8-Dimethanonaph|34487-55-3|6851-31-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020040
ARPathway2016 ARPathway2016_150 Aldrin 309-00-2 DTXSID8020040 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0.0345 Unitless [H][C@]12C[C@]([H])(C=C1)[C@]1([H])[C@@]2([H])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl Aldrin 309-00-2|Aldrin|(1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|(1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexachloro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5a,8a,8ab)1,4 ,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5b,8b,8ab)-1,4,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4,5,8-endo, endodimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (a,4a,4b,5a,8a,8ab)-|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro (1a,4a,4ab,5b,8b,8ab)-|1,4,5,8-Dimethanonaph|34487-55-3|6851-31-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020040
ARPathway2016 ARPathway2016_150 Aldrin 309-00-2 DTXSID8020040 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless [H][C@]12C[C@]([H])(C=C1)[C@]1([H])[C@@]2([H])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl Aldrin 309-00-2|Aldrin|(1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|(1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexachloro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5a,8a,8ab)1,4 ,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5b,8b,8ab)-1,4,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4,5,8-endo, endodimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (a,4a,4b,5a,8a,8ab)-|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro (1a,4a,4ab,5b,8b,8ab)-|1,4,5,8-Dimethanonaph|34487-55-3|6851-31-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020040
ARPathway2016 ARPathway2016_150 Aldrin 309-00-2 DTXSID8020040 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Active Unitless [H][C@]12C[C@]([H])(C=C1)[C@]1([H])[C@@]2([H])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl Aldrin 309-00-2|Aldrin|(1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|(1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexachloro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5a,8a,8ab)1,4 ,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5b,8b,8ab)-1,4,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4,5,8-endo, endodimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (a,4a,4b,5a,8a,8ab)-|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro (1a,4a,4ab,5b,8b,8ab)-|1,4,5,8-Dimethanonaph|34487-55-3|6851-31-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020040
ARPathway2016 ARPathway2016_150 Aldrin 309-00-2 DTXSID8020040 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless [H][C@]12C[C@]([H])(C=C1)[C@]1([H])[C@@]2([H])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl Aldrin 309-00-2|Aldrin|(1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|(1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexachloro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5a,8a,8ab)1,4 ,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5b,8b,8ab)-1,4,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4,5,8-endo, endodimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (a,4a,4b,5a,8a,8ab)-|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro (1a,4a,4ab,5b,8b,8ab)-|1,4,5,8-Dimethanonaph|34487-55-3|6851-31-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020040
ERPathway2016 ERPathway2016_510 Aldrin 309-00-2 DTXSID8020040 R6 ER Pathway Model, Agonist Model Score 0 Unitless [H][C@]12C[C@]([H])(C=C1)[C@]1([H])[C@@]2([H])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl Aldrin 309-00-2|Aldrin|(1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|(1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexachloro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5a,8a,8ab)1,4 ,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5b,8b,8ab)-1,4,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4,5,8-endo, endodimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (a,4a,4b,5a,8a,8ab)-|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro (1a,4a,4ab,5b,8b,8ab)-|1,4,5,8-Dimethanonaph|34487-55-3|6851-31-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020040
ERPathway2016 ERPathway2016_510 Aldrin 309-00-2 DTXSID8020040 R6 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@]12C[C@]([H])(C=C1)[C@]1([H])[C@@]2([H])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl Aldrin 309-00-2|Aldrin|(1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|(1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexachloro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5a,8a,8ab)1,4 ,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5b,8b,8ab)-1,4,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4,5,8-endo, endodimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (a,4a,4b,5a,8a,8ab)-|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro (1a,4a,4ab,5b,8b,8ab)-|1,4,5,8-Dimethanonaph|34487-55-3|6851-31-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020040
ERPathway2016 ERPathway2016_510 Aldrin 309-00-2 DTXSID8020040 R6 ER Pathway Model, Agonist Call Inactive Unitless [H][C@]12C[C@]([H])(C=C1)[C@]1([H])[C@@]2([H])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl Aldrin 309-00-2|Aldrin|(1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|(1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexachloro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5a,8a,8ab)1,4 ,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5b,8b,8ab)-1,4,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4,5,8-endo, endodimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (a,4a,4b,5a,8a,8ab)-|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro (1a,4a,4ab,5b,8b,8ab)-|1,4,5,8-Dimethanonaph|34487-55-3|6851-31-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020040
ERPathway2016 ERPathway2016_510 Aldrin 309-00-2 DTXSID8020040 R6 ER Pathway Model, Antagonist Call Inactive Unitless [H][C@]12C[C@]([H])(C=C1)[C@]1([H])[C@@]2([H])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl Aldrin 309-00-2|Aldrin|(1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|(1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexachloro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5a,8a,8ab)1,4 ,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5b,8b,8ab)-1,4,5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-endo-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4,5,8-endo, endodimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (a,4a,4b,5a,8a,8ab)-|1,4,5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro (1a,4a,4ab,5b,8b,8ab)-|1,4,5,8-Dimethanonaph|34487-55-3|6851-31-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020040
ARPathway2016 ARPathway2016_1489 Alkyl (C12-C14) glycidyl ether 68609-97-2 DTXSID7028774 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Alkyl (C12-C14) glycidyl ether 68609-97-2|Alkyl (C12-C14) glycidyl ether|Alkyl (C12, C14) glycidyl ether|C12-14-Alkyl glycidyl ether|EINECS 271-846-8|Oxirane, 2-[(C12-14-alkyloxy)methyl] derivs.|Oxirane, mono((C12-14-alkyloxy)methyl) derivatives|Oxirane, mono[(C12-14-C12-14-Alkyl glycidyl ether (alkyloxy)methyl] derivs.) https://comptox.epa.gov/dashboard/chemical/details/DTXSID7028774
ARPathway2016 ARPathway2016_1489 Alkyl (C12-C14) glycidyl ether 68609-97-2 DTXSID7028774 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Alkyl (C12-C14) glycidyl ether 68609-97-2|Alkyl (C12-C14) glycidyl ether|Alkyl (C12, C14) glycidyl ether|C12-14-Alkyl glycidyl ether|EINECS 271-846-8|Oxirane, 2-[(C12-14-alkyloxy)methyl] derivs.|Oxirane, mono((C12-14-alkyloxy)methyl) derivatives|Oxirane, mono[(C12-14-C12-14-Alkyl glycidyl ether (alkyloxy)methyl] derivs.) https://comptox.epa.gov/dashboard/chemical/details/DTXSID7028774
ARPathway2016 ARPathway2016_1489 Alkyl (C12-C14) glycidyl ether 68609-97-2 DTXSID7028774 0.0 AR Pathway Model, Agonist Call Inactive Unitless Alkyl (C12-C14) glycidyl ether 68609-97-2|Alkyl (C12-C14) glycidyl ether|Alkyl (C12, C14) glycidyl ether|C12-14-Alkyl glycidyl ether|EINECS 271-846-8|Oxirane, 2-[(C12-14-alkyloxy)methyl] derivs.|Oxirane, mono((C12-14-alkyloxy)methyl) derivatives|Oxirane, mono[(C12-14-C12-14-Alkyl glycidyl ether (alkyloxy)methyl] derivs.) https://comptox.epa.gov/dashboard/chemical/details/DTXSID7028774
ARPathway2016 ARPathway2016_1489 Alkyl (C12-C14) glycidyl ether 68609-97-2 DTXSID7028774 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Alkyl (C12-C14) glycidyl ether 68609-97-2|Alkyl (C12-C14) glycidyl ether|Alkyl (C12, C14) glycidyl ether|C12-14-Alkyl glycidyl ether|EINECS 271-846-8|Oxirane, 2-[(C12-14-alkyloxy)methyl] derivs.|Oxirane, mono((C12-14-alkyloxy)methyl) derivatives|Oxirane, mono[(C12-14-C12-14-Alkyl glycidyl ether (alkyloxy)methyl] derivs.) https://comptox.epa.gov/dashboard/chemical/details/DTXSID7028774
ERPathway2016 ERPathway2016_1614 Alkyl (C12-C14) glycidyl ether 68609-97-2 DTXSID7028774 ER Pathway Model, Agonist Model Score 0 Unitless Alkyl (C12-C14) glycidyl ether 68609-97-2|Alkyl (C12-C14) glycidyl ether|Alkyl (C12, C14) glycidyl ether|C12-14-Alkyl glycidyl ether|EINECS 271-846-8|Oxirane, 2-[(C12-14-alkyloxy)methyl] derivs.|Oxirane, mono((C12-14-alkyloxy)methyl) derivatives|Oxirane, mono[(C12-14-C12-14-Alkyl glycidyl ether (alkyloxy)methyl] derivs.) https://comptox.epa.gov/dashboard/chemical/details/DTXSID7028774
ERPathway2016 ERPathway2016_1614 Alkyl (C12-C14) glycidyl ether 68609-97-2 DTXSID7028774 ER Pathway Model, Antagonist Model Score 0 Unitless Alkyl (C12-C14) glycidyl ether 68609-97-2|Alkyl (C12-C14) glycidyl ether|Alkyl (C12, C14) glycidyl ether|C12-14-Alkyl glycidyl ether|EINECS 271-846-8|Oxirane, 2-[(C12-14-alkyloxy)methyl] derivs.|Oxirane, mono((C12-14-alkyloxy)methyl) derivatives|Oxirane, mono[(C12-14-C12-14-Alkyl glycidyl ether (alkyloxy)methyl] derivs.) https://comptox.epa.gov/dashboard/chemical/details/DTXSID7028774
ERPathway2016 ERPathway2016_1614 Alkyl (C12-C14) glycidyl ether 68609-97-2 DTXSID7028774 ER Pathway Model, Agonist Call Inactive Unitless Alkyl (C12-C14) glycidyl ether 68609-97-2|Alkyl (C12-C14) glycidyl ether|Alkyl (C12, C14) glycidyl ether|C12-14-Alkyl glycidyl ether|EINECS 271-846-8|Oxirane, 2-[(C12-14-alkyloxy)methyl] derivs.|Oxirane, mono((C12-14-alkyloxy)methyl) derivatives|Oxirane, mono[(C12-14-C12-14-Alkyl glycidyl ether (alkyloxy)methyl] derivs.) https://comptox.epa.gov/dashboard/chemical/details/DTXSID7028774
ERPathway2016 ERPathway2016_1614 Alkyl (C12-C14) glycidyl ether 68609-97-2 DTXSID7028774 ER Pathway Model, Antagonist Call Inactive Unitless Alkyl (C12-C14) glycidyl ether 68609-97-2|Alkyl (C12-C14) glycidyl ether|Alkyl (C12, C14) glycidyl ether|C12-14-Alkyl glycidyl ether|EINECS 271-846-8|Oxirane, 2-[(C12-14-alkyloxy)methyl] derivs.|Oxirane, mono((C12-14-alkyloxy)methyl) derivatives|Oxirane, mono[(C12-14-C12-14-Alkyl glycidyl ether (alkyloxy)methyl] derivs.) https://comptox.epa.gov/dashboard/chemical/details/DTXSID7028774
ARPathway2016 ARPathway2016_1790 Allantoin 97-59-6 DTXSID3020043 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC(=O)NC1NC(=O)NC1=O Allantoin 97-59-6|Allantoin|(.+-.)-Allantoin|(2,5-diketoimidazolidin-4-yl)urea|(2,5-Dioxo-4-imidazolidinyl)urea|(2,5-dioxoimidazolidin-4-yl)urea|(S)-allantoin|2,5-Dioxo-4-imidazolidinyl-urea|4-ureido-2,5-imidazolidinedione|5-25-15-00338|5-Ureido-2,4-imidazolidindion|5-Ureido-2,4-imidazolidindione|5-Ureido-Hydantoin|5-Ureidohydantoin|5-Ureidohydrantoin|Alantan|alantoina|Allantoine|Allantol|Alloxantin|AVC/Dienestrolcream|BRN 0102364|Caswell No. 024|Cordianine|Cutemol emollient|D00121|DL-Allantoin|EINECS 202-592-8|EPA Pesticide Chemical Code 085701|Fancol TOIN|Glyoxyldiureid|GLYOXYLDIUREIDE|Glyoxylic diureide|Herpecin L|Hydantoin, 5-ureido-|N-(2,5-Dioxo-4-imidazolidinyl)urea|NSC 7606|Psoralon|Sebical|Septalan|Uniderm A|UNII-344S277G0Z|Urea, (2,5-dioxo-4-imidazolidinyl)-|Urea, N-(2,5-dioxo-4-imidazolidinyl)-|37305-69-4|5377-33-3|58308-55-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020043
ARPathway2016 ARPathway2016_1790 Allantoin 97-59-6 DTXSID3020043 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC(=O)NC1NC(=O)NC1=O Allantoin 97-59-6|Allantoin|(.+-.)-Allantoin|(2,5-diketoimidazolidin-4-yl)urea|(2,5-Dioxo-4-imidazolidinyl)urea|(2,5-dioxoimidazolidin-4-yl)urea|(S)-allantoin|2,5-Dioxo-4-imidazolidinyl-urea|4-ureido-2,5-imidazolidinedione|5-25-15-00338|5-Ureido-2,4-imidazolidindion|5-Ureido-2,4-imidazolidindione|5-Ureido-Hydantoin|5-Ureidohydantoin|5-Ureidohydrantoin|Alantan|alantoina|Allantoine|Allantol|Alloxantin|AVC/Dienestrolcream|BRN 0102364|Caswell No. 024|Cordianine|Cutemol emollient|D00121|DL-Allantoin|EINECS 202-592-8|EPA Pesticide Chemical Code 085701|Fancol TOIN|Glyoxyldiureid|GLYOXYLDIUREIDE|Glyoxylic diureide|Herpecin L|Hydantoin, 5-ureido-|N-(2,5-Dioxo-4-imidazolidinyl)urea|NSC 7606|Psoralon|Sebical|Septalan|Uniderm A|UNII-344S277G0Z|Urea, (2,5-dioxo-4-imidazolidinyl)-|Urea, N-(2,5-dioxo-4-imidazolidinyl)-|37305-69-4|5377-33-3|58308-55-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020043
ARPathway2016 ARPathway2016_1790 Allantoin 97-59-6 DTXSID3020043 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC(=O)NC1NC(=O)NC1=O Allantoin 97-59-6|Allantoin|(.+-.)-Allantoin|(2,5-diketoimidazolidin-4-yl)urea|(2,5-Dioxo-4-imidazolidinyl)urea|(2,5-dioxoimidazolidin-4-yl)urea|(S)-allantoin|2,5-Dioxo-4-imidazolidinyl-urea|4-ureido-2,5-imidazolidinedione|5-25-15-00338|5-Ureido-2,4-imidazolidindion|5-Ureido-2,4-imidazolidindione|5-Ureido-Hydantoin|5-Ureidohydantoin|5-Ureidohydrantoin|Alantan|alantoina|Allantoine|Allantol|Alloxantin|AVC/Dienestrolcream|BRN 0102364|Caswell No. 024|Cordianine|Cutemol emollient|D00121|DL-Allantoin|EINECS 202-592-8|EPA Pesticide Chemical Code 085701|Fancol TOIN|Glyoxyldiureid|GLYOXYLDIUREIDE|Glyoxylic diureide|Herpecin L|Hydantoin, 5-ureido-|N-(2,5-Dioxo-4-imidazolidinyl)urea|NSC 7606|Psoralon|Sebical|Septalan|Uniderm A|UNII-344S277G0Z|Urea, (2,5-dioxo-4-imidazolidinyl)-|Urea, N-(2,5-dioxo-4-imidazolidinyl)-|37305-69-4|5377-33-3|58308-55-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020043
ARPathway2016 ARPathway2016_1790 Allantoin 97-59-6 DTXSID3020043 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC(=O)NC1NC(=O)NC1=O Allantoin 97-59-6|Allantoin|(.+-.)-Allantoin|(2,5-diketoimidazolidin-4-yl)urea|(2,5-Dioxo-4-imidazolidinyl)urea|(2,5-dioxoimidazolidin-4-yl)urea|(S)-allantoin|2,5-Dioxo-4-imidazolidinyl-urea|4-ureido-2,5-imidazolidinedione|5-25-15-00338|5-Ureido-2,4-imidazolidindion|5-Ureido-2,4-imidazolidindione|5-Ureido-Hydantoin|5-Ureidohydantoin|5-Ureidohydrantoin|Alantan|alantoina|Allantoine|Allantol|Alloxantin|AVC/Dienestrolcream|BRN 0102364|Caswell No. 024|Cordianine|Cutemol emollient|D00121|DL-Allantoin|EINECS 202-592-8|EPA Pesticide Chemical Code 085701|Fancol TOIN|Glyoxyldiureid|GLYOXYLDIUREIDE|Glyoxylic diureide|Herpecin L|Hydantoin, 5-ureido-|N-(2,5-Dioxo-4-imidazolidinyl)urea|NSC 7606|Psoralon|Sebical|Septalan|Uniderm A|UNII-344S277G0Z|Urea, (2,5-dioxo-4-imidazolidinyl)-|Urea, N-(2,5-dioxo-4-imidazolidinyl)-|37305-69-4|5377-33-3|58308-55-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020043
ERPathway2016 ERPathway2016_1783 Allantoin 97-59-6 DTXSID3020043 ER Pathway Model, Agonist Model Score 0 Unitless NC(=O)NC1NC(=O)NC1=O Allantoin 97-59-6|Allantoin|(.+-.)-Allantoin|(2,5-diketoimidazolidin-4-yl)urea|(2,5-Dioxo-4-imidazolidinyl)urea|(2,5-dioxoimidazolidin-4-yl)urea|(S)-allantoin|2,5-Dioxo-4-imidazolidinyl-urea|4-ureido-2,5-imidazolidinedione|5-25-15-00338|5-Ureido-2,4-imidazolidindion|5-Ureido-2,4-imidazolidindione|5-Ureido-Hydantoin|5-Ureidohydantoin|5-Ureidohydrantoin|Alantan|alantoina|Allantoine|Allantol|Alloxantin|AVC/Dienestrolcream|BRN 0102364|Caswell No. 024|Cordianine|Cutemol emollient|D00121|DL-Allantoin|EINECS 202-592-8|EPA Pesticide Chemical Code 085701|Fancol TOIN|Glyoxyldiureid|GLYOXYLDIUREIDE|Glyoxylic diureide|Herpecin L|Hydantoin, 5-ureido-|N-(2,5-Dioxo-4-imidazolidinyl)urea|NSC 7606|Psoralon|Sebical|Septalan|Uniderm A|UNII-344S277G0Z|Urea, (2,5-dioxo-4-imidazolidinyl)-|Urea, N-(2,5-dioxo-4-imidazolidinyl)-|37305-69-4|5377-33-3|58308-55-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020043
ERPathway2016 ERPathway2016_1783 Allantoin 97-59-6 DTXSID3020043 ER Pathway Model, Antagonist Model Score 0 Unitless NC(=O)NC1NC(=O)NC1=O Allantoin 97-59-6|Allantoin|(.+-.)-Allantoin|(2,5-diketoimidazolidin-4-yl)urea|(2,5-Dioxo-4-imidazolidinyl)urea|(2,5-dioxoimidazolidin-4-yl)urea|(S)-allantoin|2,5-Dioxo-4-imidazolidinyl-urea|4-ureido-2,5-imidazolidinedione|5-25-15-00338|5-Ureido-2,4-imidazolidindion|5-Ureido-2,4-imidazolidindione|5-Ureido-Hydantoin|5-Ureidohydantoin|5-Ureidohydrantoin|Alantan|alantoina|Allantoine|Allantol|Alloxantin|AVC/Dienestrolcream|BRN 0102364|Caswell No. 024|Cordianine|Cutemol emollient|D00121|DL-Allantoin|EINECS 202-592-8|EPA Pesticide Chemical Code 085701|Fancol TOIN|Glyoxyldiureid|GLYOXYLDIUREIDE|Glyoxylic diureide|Herpecin L|Hydantoin, 5-ureido-|N-(2,5-Dioxo-4-imidazolidinyl)urea|NSC 7606|Psoralon|Sebical|Septalan|Uniderm A|UNII-344S277G0Z|Urea, (2,5-dioxo-4-imidazolidinyl)-|Urea, N-(2,5-dioxo-4-imidazolidinyl)-|37305-69-4|5377-33-3|58308-55-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020043
ERPathway2016 ERPathway2016_1783 Allantoin 97-59-6 DTXSID3020043 ER Pathway Model, Agonist Call Inactive Unitless NC(=O)NC1NC(=O)NC1=O Allantoin 97-59-6|Allantoin|(.+-.)-Allantoin|(2,5-diketoimidazolidin-4-yl)urea|(2,5-Dioxo-4-imidazolidinyl)urea|(2,5-dioxoimidazolidin-4-yl)urea|(S)-allantoin|2,5-Dioxo-4-imidazolidinyl-urea|4-ureido-2,5-imidazolidinedione|5-25-15-00338|5-Ureido-2,4-imidazolidindion|5-Ureido-2,4-imidazolidindione|5-Ureido-Hydantoin|5-Ureidohydantoin|5-Ureidohydrantoin|Alantan|alantoina|Allantoine|Allantol|Alloxantin|AVC/Dienestrolcream|BRN 0102364|Caswell No. 024|Cordianine|Cutemol emollient|D00121|DL-Allantoin|EINECS 202-592-8|EPA Pesticide Chemical Code 085701|Fancol TOIN|Glyoxyldiureid|GLYOXYLDIUREIDE|Glyoxylic diureide|Herpecin L|Hydantoin, 5-ureido-|N-(2,5-Dioxo-4-imidazolidinyl)urea|NSC 7606|Psoralon|Sebical|Septalan|Uniderm A|UNII-344S277G0Z|Urea, (2,5-dioxo-4-imidazolidinyl)-|Urea, N-(2,5-dioxo-4-imidazolidinyl)-|37305-69-4|5377-33-3|58308-55-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020043
ERPathway2016 ERPathway2016_1783 Allantoin 97-59-6 DTXSID3020043 ER Pathway Model, Antagonist Call Inactive Unitless NC(=O)NC1NC(=O)NC1=O Allantoin 97-59-6|Allantoin|(.+-.)-Allantoin|(2,5-diketoimidazolidin-4-yl)urea|(2,5-Dioxo-4-imidazolidinyl)urea|(2,5-dioxoimidazolidin-4-yl)urea|(S)-allantoin|2,5-Dioxo-4-imidazolidinyl-urea|4-ureido-2,5-imidazolidinedione|5-25-15-00338|5-Ureido-2,4-imidazolidindion|5-Ureido-2,4-imidazolidindione|5-Ureido-Hydantoin|5-Ureidohydantoin|5-Ureidohydrantoin|Alantan|alantoina|Allantoine|Allantol|Alloxantin|AVC/Dienestrolcream|BRN 0102364|Caswell No. 024|Cordianine|Cutemol emollient|D00121|DL-Allantoin|EINECS 202-592-8|EPA Pesticide Chemical Code 085701|Fancol TOIN|Glyoxyldiureid|GLYOXYLDIUREIDE|Glyoxylic diureide|Herpecin L|Hydantoin, 5-ureido-|N-(2,5-Dioxo-4-imidazolidinyl)urea|NSC 7606|Psoralon|Sebical|Septalan|Uniderm A|UNII-344S277G0Z|Urea, (2,5-dioxo-4-imidazolidinyl)-|Urea, N-(2,5-dioxo-4-imidazolidinyl)-|37305-69-4|5377-33-3|58308-55-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020043
ARPathway2016 ARPathway2016_222 Allethrin 584-79-2 DTXSID8035180 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 39.8686991636518 uM CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C Allethrin 584-79-2|Allethrin|(+-)-Allerethonyl (+-)-cis,trans-chrysanthemate|(+)-Allelrethonyl (+)-cis,trans-chrysanthemate|(+)-trans-Chrysanthemumic acid ester of (+-)-allethrolone|(+/-)-3-Allyl-4-keto-2-methylcyclopent-2-enyl (.+-.)-cis,trans-chrysanthemummonocarboxylate|(+/-)-Allerethonyl (.+-.)-cis,trans-chrysanthemate|(+/-)-Allerethonyl (+/-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (+-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-cis-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1RS)-cis-trans-chrysanthemate|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of 2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylic acid|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of chrysanthemummono-carboxylic acid|2-Cyclopenten-1-one, 2-allyl-4-hydroxy-3-methyl-,2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|2-Methyl-3-(2-propenyl)-4-oxo-2-cyclopentenyl 2,2-dimethyl-3-(2-methyl-|137-98-4|18793-35-6|18877-88-8|20301-61-5|22431-63-6|22556-34-9|23453-08-9|24313-23-3|25406-22-8|25406-24-0|25406-25-1|6385-67-7|6385-68-8|71119-51-2|71211-88-6|8018-12-0|84030-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035180
ARPathway2016 ARPathway2016_222 Allethrin 584-79-2 DTXSID8035180 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 46.2618059 uM CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C Allethrin 584-79-2|Allethrin|(+-)-Allerethonyl (+-)-cis,trans-chrysanthemate|(+)-Allelrethonyl (+)-cis,trans-chrysanthemate|(+)-trans-Chrysanthemumic acid ester of (+-)-allethrolone|(+/-)-3-Allyl-4-keto-2-methylcyclopent-2-enyl (.+-.)-cis,trans-chrysanthemummonocarboxylate|(+/-)-Allerethonyl (.+-.)-cis,trans-chrysanthemate|(+/-)-Allerethonyl (+/-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (+-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-cis-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1RS)-cis-trans-chrysanthemate|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of 2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylic acid|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of chrysanthemummono-carboxylic acid|2-Cyclopenten-1-one, 2-allyl-4-hydroxy-3-methyl-,2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|2-Methyl-3-(2-propenyl)-4-oxo-2-cyclopentenyl 2,2-dimethyl-3-(2-methyl-|137-98-4|18793-35-6|18877-88-8|20301-61-5|22431-63-6|22556-34-9|23453-08-9|24313-23-3|25406-22-8|25406-24-0|25406-25-1|6385-67-7|6385-68-8|71119-51-2|71211-88-6|8018-12-0|84030-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035180
ARPathway2016 ARPathway2016_222 Allethrin 584-79-2 DTXSID8035180 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0783 Unitless CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C Allethrin 584-79-2|Allethrin|(+-)-Allerethonyl (+-)-cis,trans-chrysanthemate|(+)-Allelrethonyl (+)-cis,trans-chrysanthemate|(+)-trans-Chrysanthemumic acid ester of (+-)-allethrolone|(+/-)-3-Allyl-4-keto-2-methylcyclopent-2-enyl (.+-.)-cis,trans-chrysanthemummonocarboxylate|(+/-)-Allerethonyl (.+-.)-cis,trans-chrysanthemate|(+/-)-Allerethonyl (+/-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (+-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-cis-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1RS)-cis-trans-chrysanthemate|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of 2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylic acid|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of chrysanthemummono-carboxylic acid|2-Cyclopenten-1-one, 2-allyl-4-hydroxy-3-methyl-,2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|2-Methyl-3-(2-propenyl)-4-oxo-2-cyclopentenyl 2,2-dimethyl-3-(2-methyl-|137-98-4|18793-35-6|18877-88-8|20301-61-5|22431-63-6|22556-34-9|23453-08-9|24313-23-3|25406-22-8|25406-24-0|25406-25-1|6385-67-7|6385-68-8|71119-51-2|71211-88-6|8018-12-0|84030-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035180
ARPathway2016 ARPathway2016_222 Allethrin 584-79-2 DTXSID8035180 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C Allethrin 584-79-2|Allethrin|(+-)-Allerethonyl (+-)-cis,trans-chrysanthemate|(+)-Allelrethonyl (+)-cis,trans-chrysanthemate|(+)-trans-Chrysanthemumic acid ester of (+-)-allethrolone|(+/-)-3-Allyl-4-keto-2-methylcyclopent-2-enyl (.+-.)-cis,trans-chrysanthemummonocarboxylate|(+/-)-Allerethonyl (.+-.)-cis,trans-chrysanthemate|(+/-)-Allerethonyl (+/-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (+-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-cis-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1RS)-cis-trans-chrysanthemate|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of 2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylic acid|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of chrysanthemummono-carboxylic acid|2-Cyclopenten-1-one, 2-allyl-4-hydroxy-3-methyl-,2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|2-Methyl-3-(2-propenyl)-4-oxo-2-cyclopentenyl 2,2-dimethyl-3-(2-methyl-|137-98-4|18793-35-6|18877-88-8|20301-61-5|22431-63-6|22556-34-9|23453-08-9|24313-23-3|25406-22-8|25406-24-0|25406-25-1|6385-67-7|6385-68-8|71119-51-2|71211-88-6|8018-12-0|84030-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035180
ARPathway2016 ARPathway2016_222 Allethrin 584-79-2 DTXSID8035180 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C Allethrin 584-79-2|Allethrin|(+-)-Allerethonyl (+-)-cis,trans-chrysanthemate|(+)-Allelrethonyl (+)-cis,trans-chrysanthemate|(+)-trans-Chrysanthemumic acid ester of (+-)-allethrolone|(+/-)-3-Allyl-4-keto-2-methylcyclopent-2-enyl (.+-.)-cis,trans-chrysanthemummonocarboxylate|(+/-)-Allerethonyl (.+-.)-cis,trans-chrysanthemate|(+/-)-Allerethonyl (+/-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (+-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-cis-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1RS)-cis-trans-chrysanthemate|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of 2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylic acid|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of chrysanthemummono-carboxylic acid|2-Cyclopenten-1-one, 2-allyl-4-hydroxy-3-methyl-,2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|2-Methyl-3-(2-propenyl)-4-oxo-2-cyclopentenyl 2,2-dimethyl-3-(2-methyl-|137-98-4|18793-35-6|18877-88-8|20301-61-5|22431-63-6|22556-34-9|23453-08-9|24313-23-3|25406-22-8|25406-24-0|25406-25-1|6385-67-7|6385-68-8|71119-51-2|71211-88-6|8018-12-0|84030-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035180
ARPathway2016 ARPathway2016_222 Allethrin 584-79-2 DTXSID8035180 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C Allethrin 584-79-2|Allethrin|(+-)-Allerethonyl (+-)-cis,trans-chrysanthemate|(+)-Allelrethonyl (+)-cis,trans-chrysanthemate|(+)-trans-Chrysanthemumic acid ester of (+-)-allethrolone|(+/-)-3-Allyl-4-keto-2-methylcyclopent-2-enyl (.+-.)-cis,trans-chrysanthemummonocarboxylate|(+/-)-Allerethonyl (.+-.)-cis,trans-chrysanthemate|(+/-)-Allerethonyl (+/-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (+-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-cis-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1RS)-cis-trans-chrysanthemate|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of 2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylic acid|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of chrysanthemummono-carboxylic acid|2-Cyclopenten-1-one, 2-allyl-4-hydroxy-3-methyl-,2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|2-Methyl-3-(2-propenyl)-4-oxo-2-cyclopentenyl 2,2-dimethyl-3-(2-methyl-|137-98-4|18793-35-6|18877-88-8|20301-61-5|22431-63-6|22556-34-9|23453-08-9|24313-23-3|25406-22-8|25406-24-0|25406-25-1|6385-67-7|6385-68-8|71119-51-2|71211-88-6|8018-12-0|84030-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035180
ERPathway2016 ERPathway2016_588 Allethrin 584-79-2 DTXSID8035180 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C Allethrin 584-79-2|Allethrin|(+-)-Allerethonyl (+-)-cis,trans-chrysanthemate|(+)-Allelrethonyl (+)-cis,trans-chrysanthemate|(+)-trans-Chrysanthemumic acid ester of (+-)-allethrolone|(+/-)-3-Allyl-4-keto-2-methylcyclopent-2-enyl (.+-.)-cis,trans-chrysanthemummonocarboxylate|(+/-)-Allerethonyl (.+-.)-cis,trans-chrysanthemate|(+/-)-Allerethonyl (+/-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (+-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-cis-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1RS)-cis-trans-chrysanthemate|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of 2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylic acid|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of chrysanthemummono-carboxylic acid|2-Cyclopenten-1-one, 2-allyl-4-hydroxy-3-methyl-,2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|2-Methyl-3-(2-propenyl)-4-oxo-2-cyclopentenyl 2,2-dimethyl-3-(2-methyl-|137-98-4|18793-35-6|18877-88-8|20301-61-5|22431-63-6|22556-34-9|23453-08-9|24313-23-3|25406-22-8|25406-24-0|25406-25-1|6385-67-7|6385-68-8|71119-51-2|71211-88-6|8018-12-0|84030-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035180
ERPathway2016 ERPathway2016_588 Allethrin 584-79-2 DTXSID8035180 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C Allethrin 584-79-2|Allethrin|(+-)-Allerethonyl (+-)-cis,trans-chrysanthemate|(+)-Allelrethonyl (+)-cis,trans-chrysanthemate|(+)-trans-Chrysanthemumic acid ester of (+-)-allethrolone|(+/-)-3-Allyl-4-keto-2-methylcyclopent-2-enyl (.+-.)-cis,trans-chrysanthemummonocarboxylate|(+/-)-Allerethonyl (.+-.)-cis,trans-chrysanthemate|(+/-)-Allerethonyl (+/-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (+-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-cis-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1RS)-cis-trans-chrysanthemate|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of 2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylic acid|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of chrysanthemummono-carboxylic acid|2-Cyclopenten-1-one, 2-allyl-4-hydroxy-3-methyl-,2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|2-Methyl-3-(2-propenyl)-4-oxo-2-cyclopentenyl 2,2-dimethyl-3-(2-methyl-|137-98-4|18793-35-6|18877-88-8|20301-61-5|22431-63-6|22556-34-9|23453-08-9|24313-23-3|25406-22-8|25406-24-0|25406-25-1|6385-67-7|6385-68-8|71119-51-2|71211-88-6|8018-12-0|84030-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035180
ERPathway2016 ERPathway2016_588 Allethrin 584-79-2 DTXSID8035180 ER Pathway Model, Agonist Call Inactive Unitless CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C Allethrin 584-79-2|Allethrin|(+-)-Allerethonyl (+-)-cis,trans-chrysanthemate|(+)-Allelrethonyl (+)-cis,trans-chrysanthemate|(+)-trans-Chrysanthemumic acid ester of (+-)-allethrolone|(+/-)-3-Allyl-4-keto-2-methylcyclopent-2-enyl (.+-.)-cis,trans-chrysanthemummonocarboxylate|(+/-)-Allerethonyl (.+-.)-cis,trans-chrysanthemate|(+/-)-Allerethonyl (+/-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (+-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-cis-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1RS)-cis-trans-chrysanthemate|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of 2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylic acid|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of chrysanthemummono-carboxylic acid|2-Cyclopenten-1-one, 2-allyl-4-hydroxy-3-methyl-,2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|2-Methyl-3-(2-propenyl)-4-oxo-2-cyclopentenyl 2,2-dimethyl-3-(2-methyl-|137-98-4|18793-35-6|18877-88-8|20301-61-5|22431-63-6|22556-34-9|23453-08-9|24313-23-3|25406-22-8|25406-24-0|25406-25-1|6385-67-7|6385-68-8|71119-51-2|71211-88-6|8018-12-0|84030-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035180
ERPathway2016 ERPathway2016_588 Allethrin 584-79-2 DTXSID8035180 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C Allethrin 584-79-2|Allethrin|(+-)-Allerethonyl (+-)-cis,trans-chrysanthemate|(+)-Allelrethonyl (+)-cis,trans-chrysanthemate|(+)-trans-Chrysanthemumic acid ester of (+-)-allethrolone|(+/-)-3-Allyl-4-keto-2-methylcyclopent-2-enyl (.+-.)-cis,trans-chrysanthemummonocarboxylate|(+/-)-Allerethonyl (.+-.)-cis,trans-chrysanthemate|(+/-)-Allerethonyl (+/-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (+-)-cis,trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-cis-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1RS)-cis-trans-chrysanthemate|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of 2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylic acid|2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of chrysanthemummono-carboxylic acid|2-Cyclopenten-1-one, 2-allyl-4-hydroxy-3-methyl-,2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|2-Methyl-3-(2-propenyl)-4-oxo-2-cyclopentenyl 2,2-dimethyl-3-(2-methyl-|137-98-4|18793-35-6|18877-88-8|20301-61-5|22431-63-6|22556-34-9|23453-08-9|24313-23-3|25406-22-8|25406-24-0|25406-25-1|6385-67-7|6385-68-8|71119-51-2|71211-88-6|8018-12-0|84030-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8035180
ARPathway2016 ARPathway2016_1063 Allura Red C.I.16035 25956-17-6 DTXSID4024436 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].COC1=C(C=C(C)C(=C1)S([O-])(=O)=O)N=NC1=C2C=CC(=CC2=CC=C1O)S([O-])(=O)=O Allura Red C.I.16035 25956-17-6|Allura Red C.I.16035|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(6-methoxy-4-sulfo-m-tolyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]-, sodium salt (1:2)|6-hidroxi-5-[(2-metoxi-4-sulfonato-m-tolil)azo]naftaleno-2-sulfonato de disodio|6-Hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphtalene-2-sulfonate de disodium|ALLURA RED|Allura Red 40|Allura Red AC|Allura Red AC Dye|C. I. 16035|C.I. Food Red 17|Dinatrium-6-hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphthalin-2-sulfonat|Disodium 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfophenyl)azo)-2-naphthalenesulfonate|Disodium 6-hydroxy-5-((6-methoxy-4-sulfo-m-tolyl)azo)-2-naphthalenesulfonate|disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate|Disodium 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalene sulfonic acid|DISODIUM SALT OF 6-HYDROXY-5-(2-METHOXY-5-METHYL- 4-SULFOPHENYL)AZO)-2|64553-31-7|66813-73-8|84069-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024436 https://doi.org/10.22427/NTP-DATA-DTXSID4024436
ARPathway2016 ARPathway2016_1063 Allura Red C.I.16035 25956-17-6 DTXSID4024436 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].COC1=C(C=C(C)C(=C1)S([O-])(=O)=O)N=NC1=C2C=CC(=CC2=CC=C1O)S([O-])(=O)=O Allura Red C.I.16035 25956-17-6|Allura Red C.I.16035|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(6-methoxy-4-sulfo-m-tolyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]-, sodium salt (1:2)|6-hidroxi-5-[(2-metoxi-4-sulfonato-m-tolil)azo]naftaleno-2-sulfonato de disodio|6-Hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphtalene-2-sulfonate de disodium|ALLURA RED|Allura Red 40|Allura Red AC|Allura Red AC Dye|C. I. 16035|C.I. Food Red 17|Dinatrium-6-hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphthalin-2-sulfonat|Disodium 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfophenyl)azo)-2-naphthalenesulfonate|Disodium 6-hydroxy-5-((6-methoxy-4-sulfo-m-tolyl)azo)-2-naphthalenesulfonate|disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate|Disodium 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalene sulfonic acid|DISODIUM SALT OF 6-HYDROXY-5-(2-METHOXY-5-METHYL- 4-SULFOPHENYL)AZO)-2|64553-31-7|66813-73-8|84069-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024436 https://doi.org/10.22427/NTP-DATA-DTXSID4024436
ARPathway2016 ARPathway2016_1063 Allura Red C.I.16035 25956-17-6 DTXSID4024436 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].COC1=C(C=C(C)C(=C1)S([O-])(=O)=O)N=NC1=C2C=CC(=CC2=CC=C1O)S([O-])(=O)=O Allura Red C.I.16035 25956-17-6|Allura Red C.I.16035|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(6-methoxy-4-sulfo-m-tolyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]-, sodium salt (1:2)|6-hidroxi-5-[(2-metoxi-4-sulfonato-m-tolil)azo]naftaleno-2-sulfonato de disodio|6-Hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphtalene-2-sulfonate de disodium|ALLURA RED|Allura Red 40|Allura Red AC|Allura Red AC Dye|C. I. 16035|C.I. Food Red 17|Dinatrium-6-hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphthalin-2-sulfonat|Disodium 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfophenyl)azo)-2-naphthalenesulfonate|Disodium 6-hydroxy-5-((6-methoxy-4-sulfo-m-tolyl)azo)-2-naphthalenesulfonate|disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate|Disodium 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalene sulfonic acid|DISODIUM SALT OF 6-HYDROXY-5-(2-METHOXY-5-METHYL- 4-SULFOPHENYL)AZO)-2|64553-31-7|66813-73-8|84069-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024436 https://doi.org/10.22427/NTP-DATA-DTXSID4024436
ARPathway2016 ARPathway2016_1063 Allura Red C.I.16035 25956-17-6 DTXSID4024436 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].COC1=C(C=C(C)C(=C1)S([O-])(=O)=O)N=NC1=C2C=CC(=CC2=CC=C1O)S([O-])(=O)=O Allura Red C.I.16035 25956-17-6|Allura Red C.I.16035|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(6-methoxy-4-sulfo-m-tolyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]-, sodium salt (1:2)|6-hidroxi-5-[(2-metoxi-4-sulfonato-m-tolil)azo]naftaleno-2-sulfonato de disodio|6-Hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphtalene-2-sulfonate de disodium|ALLURA RED|Allura Red 40|Allura Red AC|Allura Red AC Dye|C. I. 16035|C.I. Food Red 17|Dinatrium-6-hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphthalin-2-sulfonat|Disodium 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfophenyl)azo)-2-naphthalenesulfonate|Disodium 6-hydroxy-5-((6-methoxy-4-sulfo-m-tolyl)azo)-2-naphthalenesulfonate|disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate|Disodium 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalene sulfonic acid|DISODIUM SALT OF 6-HYDROXY-5-(2-METHOXY-5-METHYL- 4-SULFOPHENYL)AZO)-2|64553-31-7|66813-73-8|84069-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024436 https://doi.org/10.22427/NTP-DATA-DTXSID4024436
ERPathway2016 ERPathway2016_110 Allura Red C.I.16035 25956-17-6 DTXSID4024436 ER Pathway Model, Agonist AC50 57.1229775240489 uM [Na+].[Na+].COC1=C(C=C(C)C(=C1)S([O-])(=O)=O)N=NC1=C2C=CC(=CC2=CC=C1O)S([O-])(=O)=O Allura Red C.I.16035 25956-17-6|Allura Red C.I.16035|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(6-methoxy-4-sulfo-m-tolyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]-, sodium salt (1:2)|6-hidroxi-5-[(2-metoxi-4-sulfonato-m-tolil)azo]naftaleno-2-sulfonato de disodio|6-Hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphtalene-2-sulfonate de disodium|ALLURA RED|Allura Red 40|Allura Red AC|Allura Red AC Dye|C. I. 16035|C.I. Food Red 17|Dinatrium-6-hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphthalin-2-sulfonat|Disodium 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfophenyl)azo)-2-naphthalenesulfonate|Disodium 6-hydroxy-5-((6-methoxy-4-sulfo-m-tolyl)azo)-2-naphthalenesulfonate|disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate|Disodium 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalene sulfonic acid|DISODIUM SALT OF 6-HYDROXY-5-(2-METHOXY-5-METHYL- 4-SULFOPHENYL)AZO)-2|64553-31-7|66813-73-8|84069-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024436 https://doi.org/10.22427/NTP-DATA-DTXSID4024436
ERPathway2016 ERPathway2016_110 Allura Red C.I.16035 25956-17-6 DTXSID4024436 ER Pathway Model, Agonist ACC 63.4118100206417 uM [Na+].[Na+].COC1=C(C=C(C)C(=C1)S([O-])(=O)=O)N=NC1=C2C=CC(=CC2=CC=C1O)S([O-])(=O)=O Allura Red C.I.16035 25956-17-6|Allura Red C.I.16035|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(6-methoxy-4-sulfo-m-tolyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]-, sodium salt (1:2)|6-hidroxi-5-[(2-metoxi-4-sulfonato-m-tolil)azo]naftaleno-2-sulfonato de disodio|6-Hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphtalene-2-sulfonate de disodium|ALLURA RED|Allura Red 40|Allura Red AC|Allura Red AC Dye|C. I. 16035|C.I. Food Red 17|Dinatrium-6-hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphthalin-2-sulfonat|Disodium 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfophenyl)azo)-2-naphthalenesulfonate|Disodium 6-hydroxy-5-((6-methoxy-4-sulfo-m-tolyl)azo)-2-naphthalenesulfonate|disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate|Disodium 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalene sulfonic acid|DISODIUM SALT OF 6-HYDROXY-5-(2-METHOXY-5-METHYL- 4-SULFOPHENYL)AZO)-2|64553-31-7|66813-73-8|84069-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024436 https://doi.org/10.22427/NTP-DATA-DTXSID4024436
ERPathway2016 ERPathway2016_110 Allura Red C.I.16035 25956-17-6 DTXSID4024436 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].COC1=C(C=C(C)C(=C1)S([O-])(=O)=O)N=NC1=C2C=CC(=CC2=CC=C1O)S([O-])(=O)=O Allura Red C.I.16035 25956-17-6|Allura Red C.I.16035|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(6-methoxy-4-sulfo-m-tolyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]-, sodium salt (1:2)|6-hidroxi-5-[(2-metoxi-4-sulfonato-m-tolil)azo]naftaleno-2-sulfonato de disodio|6-Hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphtalene-2-sulfonate de disodium|ALLURA RED|Allura Red 40|Allura Red AC|Allura Red AC Dye|C. I. 16035|C.I. Food Red 17|Dinatrium-6-hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphthalin-2-sulfonat|Disodium 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfophenyl)azo)-2-naphthalenesulfonate|Disodium 6-hydroxy-5-((6-methoxy-4-sulfo-m-tolyl)azo)-2-naphthalenesulfonate|disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate|Disodium 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalene sulfonic acid|DISODIUM SALT OF 6-HYDROXY-5-(2-METHOXY-5-METHYL- 4-SULFOPHENYL)AZO)-2|64553-31-7|66813-73-8|84069-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024436 https://doi.org/10.22427/NTP-DATA-DTXSID4024436
ERPathway2016 ERPathway2016_110 Allura Red C.I.16035 25956-17-6 DTXSID4024436 ER Pathway Model, Antagonist Model Score 0.0157 Unitless [Na+].[Na+].COC1=C(C=C(C)C(=C1)S([O-])(=O)=O)N=NC1=C2C=CC(=CC2=CC=C1O)S([O-])(=O)=O Allura Red C.I.16035 25956-17-6|Allura Red C.I.16035|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(6-methoxy-4-sulfo-m-tolyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]-, sodium salt (1:2)|6-hidroxi-5-[(2-metoxi-4-sulfonato-m-tolil)azo]naftaleno-2-sulfonato de disodio|6-Hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphtalene-2-sulfonate de disodium|ALLURA RED|Allura Red 40|Allura Red AC|Allura Red AC Dye|C. I. 16035|C.I. Food Red 17|Dinatrium-6-hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphthalin-2-sulfonat|Disodium 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfophenyl)azo)-2-naphthalenesulfonate|Disodium 6-hydroxy-5-((6-methoxy-4-sulfo-m-tolyl)azo)-2-naphthalenesulfonate|disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate|Disodium 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalene sulfonic acid|DISODIUM SALT OF 6-HYDROXY-5-(2-METHOXY-5-METHYL- 4-SULFOPHENYL)AZO)-2|64553-31-7|66813-73-8|84069-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024436 https://doi.org/10.22427/NTP-DATA-DTXSID4024436
ERPathway2016 ERPathway2016_110 Allura Red C.I.16035 25956-17-6 DTXSID4024436 ER Pathway Model, Agonist Call Active Unitless [Na+].[Na+].COC1=C(C=C(C)C(=C1)S([O-])(=O)=O)N=NC1=C2C=CC(=CC2=CC=C1O)S([O-])(=O)=O Allura Red C.I.16035 25956-17-6|Allura Red C.I.16035|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(6-methoxy-4-sulfo-m-tolyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]-, sodium salt (1:2)|6-hidroxi-5-[(2-metoxi-4-sulfonato-m-tolil)azo]naftaleno-2-sulfonato de disodio|6-Hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphtalene-2-sulfonate de disodium|ALLURA RED|Allura Red 40|Allura Red AC|Allura Red AC Dye|C. I. 16035|C.I. Food Red 17|Dinatrium-6-hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphthalin-2-sulfonat|Disodium 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfophenyl)azo)-2-naphthalenesulfonate|Disodium 6-hydroxy-5-((6-methoxy-4-sulfo-m-tolyl)azo)-2-naphthalenesulfonate|disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate|Disodium 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalene sulfonic acid|DISODIUM SALT OF 6-HYDROXY-5-(2-METHOXY-5-METHYL- 4-SULFOPHENYL)AZO)-2|64553-31-7|66813-73-8|84069-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024436 https://doi.org/10.22427/NTP-DATA-DTXSID4024436
ERPathway2016 ERPathway2016_110 Allura Red C.I.16035 25956-17-6 DTXSID4024436 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].COC1=C(C=C(C)C(=C1)S([O-])(=O)=O)N=NC1=C2C=CC(=CC2=CC=C1O)S([O-])(=O)=O Allura Red C.I.16035 25956-17-6|Allura Red C.I.16035|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(6-methoxy-4-sulfo-m-tolyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]-, sodium salt (1:2)|6-hidroxi-5-[(2-metoxi-4-sulfonato-m-tolil)azo]naftaleno-2-sulfonato de disodio|6-Hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphtalene-2-sulfonate de disodium|ALLURA RED|Allura Red 40|Allura Red AC|Allura Red AC Dye|C. I. 16035|C.I. Food Red 17|Dinatrium-6-hydroxy-5-[(2-methoxy-4-sulfonato-m-tolyl)azo]naphthalin-2-sulfonat|Disodium 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfophenyl)azo)-2-naphthalenesulfonate|Disodium 6-hydroxy-5-((6-methoxy-4-sulfo-m-tolyl)azo)-2-naphthalenesulfonate|disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate|Disodium 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalene sulfonic acid|DISODIUM SALT OF 6-HYDROXY-5-(2-METHOXY-5-METHYL- 4-SULFOPHENYL)AZO)-2|64553-31-7|66813-73-8|84069-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024436 https://doi.org/10.22427/NTP-DATA-DTXSID4024436
ARPathway2016 ARPathway2016_488 Allyl alcohol 107-18-6 DTXSID8020044 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCC=C Allyl alcohol 107-18-6|Allyl alcohol|1-Hydroxy-2-propene|1-Propen-3-ol|2-Propen-1-ol|2-Propenol|2-Propenyl alcohol|3-Hydroxy-1-propene|3-Hydroxypropene|alcohol alilico|Alcool allilco|Alcool allylique|Allilowy alkohol|Allylalkohol|Allylic alcohol|Caswell No. 026|EINECS 203-470-7|EPA Pesticide Chemical Code 068401|NSC 6526|PROP-2-EN-1-OL|Propen-1-ol-3|Propenyl alcohol|RCRA waste number P005|Shell unkrautted A|Shell unkrauttod A|UN 1098|UNII-3W678R12M0|Vinyl carbinol|Vinylcarbinol|Weed drench https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020044 https://doi.org/10.22427/NTP-DATA-DTXSID8020044
ARPathway2016 ARPathway2016_488 Allyl alcohol 107-18-6 DTXSID8020044 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCC=C Allyl alcohol 107-18-6|Allyl alcohol|1-Hydroxy-2-propene|1-Propen-3-ol|2-Propen-1-ol|2-Propenol|2-Propenyl alcohol|3-Hydroxy-1-propene|3-Hydroxypropene|alcohol alilico|Alcool allilco|Alcool allylique|Allilowy alkohol|Allylalkohol|Allylic alcohol|Caswell No. 026|EINECS 203-470-7|EPA Pesticide Chemical Code 068401|NSC 6526|PROP-2-EN-1-OL|Propen-1-ol-3|Propenyl alcohol|RCRA waste number P005|Shell unkrautted A|Shell unkrauttod A|UN 1098|UNII-3W678R12M0|Vinyl carbinol|Vinylcarbinol|Weed drench https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020044 https://doi.org/10.22427/NTP-DATA-DTXSID8020044
ARPathway2016 ARPathway2016_488 Allyl alcohol 107-18-6 DTXSID8020044 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCC=C Allyl alcohol 107-18-6|Allyl alcohol|1-Hydroxy-2-propene|1-Propen-3-ol|2-Propen-1-ol|2-Propenol|2-Propenyl alcohol|3-Hydroxy-1-propene|3-Hydroxypropene|alcohol alilico|Alcool allilco|Alcool allylique|Allilowy alkohol|Allylalkohol|Allylic alcohol|Caswell No. 026|EINECS 203-470-7|EPA Pesticide Chemical Code 068401|NSC 6526|PROP-2-EN-1-OL|Propen-1-ol-3|Propenyl alcohol|RCRA waste number P005|Shell unkrautted A|Shell unkrauttod A|UN 1098|UNII-3W678R12M0|Vinyl carbinol|Vinylcarbinol|Weed drench https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020044 https://doi.org/10.22427/NTP-DATA-DTXSID8020044
ARPathway2016 ARPathway2016_488 Allyl alcohol 107-18-6 DTXSID8020044 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCC=C Allyl alcohol 107-18-6|Allyl alcohol|1-Hydroxy-2-propene|1-Propen-3-ol|2-Propen-1-ol|2-Propenol|2-Propenyl alcohol|3-Hydroxy-1-propene|3-Hydroxypropene|alcohol alilico|Alcool allilco|Alcool allylique|Allilowy alkohol|Allylalkohol|Allylic alcohol|Caswell No. 026|EINECS 203-470-7|EPA Pesticide Chemical Code 068401|NSC 6526|PROP-2-EN-1-OL|Propen-1-ol-3|Propenyl alcohol|RCRA waste number P005|Shell unkrautted A|Shell unkrauttod A|UN 1098|UNII-3W678R12M0|Vinyl carbinol|Vinylcarbinol|Weed drench https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020044 https://doi.org/10.22427/NTP-DATA-DTXSID8020044
ERPathway2016 ERPathway2016_1097 Allyl alcohol 107-18-6 DTXSID8020044 ER Pathway Model, Agonist Model Score 0 Unitless OCC=C Allyl alcohol 107-18-6|Allyl alcohol|1-Hydroxy-2-propene|1-Propen-3-ol|2-Propen-1-ol|2-Propenol|2-Propenyl alcohol|3-Hydroxy-1-propene|3-Hydroxypropene|alcohol alilico|Alcool allilco|Alcool allylique|Allilowy alkohol|Allylalkohol|Allylic alcohol|Caswell No. 026|EINECS 203-470-7|EPA Pesticide Chemical Code 068401|NSC 6526|PROP-2-EN-1-OL|Propen-1-ol-3|Propenyl alcohol|RCRA waste number P005|Shell unkrautted A|Shell unkrauttod A|UN 1098|UNII-3W678R12M0|Vinyl carbinol|Vinylcarbinol|Weed drench https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020044 https://doi.org/10.22427/NTP-DATA-DTXSID8020044
ERPathway2016 ERPathway2016_1097 Allyl alcohol 107-18-6 DTXSID8020044 ER Pathway Model, Antagonist Model Score 0 Unitless OCC=C Allyl alcohol 107-18-6|Allyl alcohol|1-Hydroxy-2-propene|1-Propen-3-ol|2-Propen-1-ol|2-Propenol|2-Propenyl alcohol|3-Hydroxy-1-propene|3-Hydroxypropene|alcohol alilico|Alcool allilco|Alcool allylique|Allilowy alkohol|Allylalkohol|Allylic alcohol|Caswell No. 026|EINECS 203-470-7|EPA Pesticide Chemical Code 068401|NSC 6526|PROP-2-EN-1-OL|Propen-1-ol-3|Propenyl alcohol|RCRA waste number P005|Shell unkrautted A|Shell unkrauttod A|UN 1098|UNII-3W678R12M0|Vinyl carbinol|Vinylcarbinol|Weed drench https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020044 https://doi.org/10.22427/NTP-DATA-DTXSID8020044
ERPathway2016 ERPathway2016_1097 Allyl alcohol 107-18-6 DTXSID8020044 ER Pathway Model, Agonist Call Inactive Unitless OCC=C Allyl alcohol 107-18-6|Allyl alcohol|1-Hydroxy-2-propene|1-Propen-3-ol|2-Propen-1-ol|2-Propenol|2-Propenyl alcohol|3-Hydroxy-1-propene|3-Hydroxypropene|alcohol alilico|Alcool allilco|Alcool allylique|Allilowy alkohol|Allylalkohol|Allylic alcohol|Caswell No. 026|EINECS 203-470-7|EPA Pesticide Chemical Code 068401|NSC 6526|PROP-2-EN-1-OL|Propen-1-ol-3|Propenyl alcohol|RCRA waste number P005|Shell unkrautted A|Shell unkrauttod A|UN 1098|UNII-3W678R12M0|Vinyl carbinol|Vinylcarbinol|Weed drench https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020044 https://doi.org/10.22427/NTP-DATA-DTXSID8020044
ERPathway2016 ERPathway2016_1097 Allyl alcohol 107-18-6 DTXSID8020044 ER Pathway Model, Antagonist Call Inactive Unitless OCC=C Allyl alcohol 107-18-6|Allyl alcohol|1-Hydroxy-2-propene|1-Propen-3-ol|2-Propen-1-ol|2-Propenol|2-Propenyl alcohol|3-Hydroxy-1-propene|3-Hydroxypropene|alcohol alilico|Alcool allilco|Alcool allylique|Allilowy alkohol|Allylalkohol|Allylic alcohol|Caswell No. 026|EINECS 203-470-7|EPA Pesticide Chemical Code 068401|NSC 6526|PROP-2-EN-1-OL|Propen-1-ol-3|Propenyl alcohol|RCRA waste number P005|Shell unkrautted A|Shell unkrauttod A|UN 1098|UNII-3W678R12M0|Vinyl carbinol|Vinylcarbinol|Weed drench https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020044 https://doi.org/10.22427/NTP-DATA-DTXSID8020044
ARPathway2016 ARPathway2016_1337 Allyl isothiocyanate 57-06-7 DTXSID3020047 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C=CCN=C=S Allyl isothiocyanate 57-06-7|Allyl isothiocyanate|1-Propene, 3-isothiocyanato-|2-Propenyl isothiocyanate|200-309-2|3-Iso-Thiocyanatoprop-1-ene|3-Isothiocyanato-1-propene|3-Isothiocyanatoprop-1-ene|AIT|AITC|Allyl isosulfocyanate|Allyl isosulphocyanate|Allyl isothiocyanate (natural)|Allyl isothiocyanate (usp)|Allyl isothiocyanate non-perfume grade|Allyl isothiocyanate, non-perfume grade|Allyl mustard oil|Allyl sevenolum|Allyl thioisocyanate|Allylisothiocyanat|Allylisothiokyanat|Allylisothiokyanat [czech]|Allylsenevol|ALLYLSENFOEL|Allylsevenolum|Allyspol|Allyspol 75EC|Artificial mustard oil|Artificial oil of mustard|BRN 0773748|Carbospol|Caswell No. 027|EC No.: 200-309-2|EINECS 200-309-2|FEMA No. 2034|Isothiocyanate d'allyle|isothiocyanic acid allyl ester|Isothiocyanic acid, allyl ester|Isothiocyansaeureallylester|isotiocianato de alilo|Mustard oil|Mustard oil, volatile|Mustard oil, volatile, synthetic|NCI-C50464|NSC 5572|Oil of mustard|Oil of Mustard and Allyl Isothiocyanate|Oil of mustard BPC 1949|Oil of mustard, artificial|Oleum sinapis|Oleum sinapis volatil|107231-30-1|50888-64-7|50978-48-8|58391-87-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020047 https://doi.org/10.22427/NTP-DATA-DTXSID3020047
ARPathway2016 ARPathway2016_1337 Allyl isothiocyanate 57-06-7 DTXSID3020047 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C=CCN=C=S Allyl isothiocyanate 57-06-7|Allyl isothiocyanate|1-Propene, 3-isothiocyanato-|2-Propenyl isothiocyanate|200-309-2|3-Iso-Thiocyanatoprop-1-ene|3-Isothiocyanato-1-propene|3-Isothiocyanatoprop-1-ene|AIT|AITC|Allyl isosulfocyanate|Allyl isosulphocyanate|Allyl isothiocyanate (natural)|Allyl isothiocyanate (usp)|Allyl isothiocyanate non-perfume grade|Allyl isothiocyanate, non-perfume grade|Allyl mustard oil|Allyl sevenolum|Allyl thioisocyanate|Allylisothiocyanat|Allylisothiokyanat|Allylisothiokyanat [czech]|Allylsenevol|ALLYLSENFOEL|Allylsevenolum|Allyspol|Allyspol 75EC|Artificial mustard oil|Artificial oil of mustard|BRN 0773748|Carbospol|Caswell No. 027|EC No.: 200-309-2|EINECS 200-309-2|FEMA No. 2034|Isothiocyanate d'allyle|isothiocyanic acid allyl ester|Isothiocyanic acid, allyl ester|Isothiocyansaeureallylester|isotiocianato de alilo|Mustard oil|Mustard oil, volatile|Mustard oil, volatile, synthetic|NCI-C50464|NSC 5572|Oil of mustard|Oil of Mustard and Allyl Isothiocyanate|Oil of mustard BPC 1949|Oil of mustard, artificial|Oleum sinapis|Oleum sinapis volatil|107231-30-1|50888-64-7|50978-48-8|58391-87-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020047 https://doi.org/10.22427/NTP-DATA-DTXSID3020047
ARPathway2016 ARPathway2016_1337 Allyl isothiocyanate 57-06-7 DTXSID3020047 0.0 AR Pathway Model, Agonist Call Inactive Unitless C=CCN=C=S Allyl isothiocyanate 57-06-7|Allyl isothiocyanate|1-Propene, 3-isothiocyanato-|2-Propenyl isothiocyanate|200-309-2|3-Iso-Thiocyanatoprop-1-ene|3-Isothiocyanato-1-propene|3-Isothiocyanatoprop-1-ene|AIT|AITC|Allyl isosulfocyanate|Allyl isosulphocyanate|Allyl isothiocyanate (natural)|Allyl isothiocyanate (usp)|Allyl isothiocyanate non-perfume grade|Allyl isothiocyanate, non-perfume grade|Allyl mustard oil|Allyl sevenolum|Allyl thioisocyanate|Allylisothiocyanat|Allylisothiokyanat|Allylisothiokyanat [czech]|Allylsenevol|ALLYLSENFOEL|Allylsevenolum|Allyspol|Allyspol 75EC|Artificial mustard oil|Artificial oil of mustard|BRN 0773748|Carbospol|Caswell No. 027|EC No.: 200-309-2|EINECS 200-309-2|FEMA No. 2034|Isothiocyanate d'allyle|isothiocyanic acid allyl ester|Isothiocyanic acid, allyl ester|Isothiocyansaeureallylester|isotiocianato de alilo|Mustard oil|Mustard oil, volatile|Mustard oil, volatile, synthetic|NCI-C50464|NSC 5572|Oil of mustard|Oil of Mustard and Allyl Isothiocyanate|Oil of mustard BPC 1949|Oil of mustard, artificial|Oleum sinapis|Oleum sinapis volatil|107231-30-1|50888-64-7|50978-48-8|58391-87-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020047 https://doi.org/10.22427/NTP-DATA-DTXSID3020047
ARPathway2016 ARPathway2016_1337 Allyl isothiocyanate 57-06-7 DTXSID3020047 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C=CCN=C=S Allyl isothiocyanate 57-06-7|Allyl isothiocyanate|1-Propene, 3-isothiocyanato-|2-Propenyl isothiocyanate|200-309-2|3-Iso-Thiocyanatoprop-1-ene|3-Isothiocyanato-1-propene|3-Isothiocyanatoprop-1-ene|AIT|AITC|Allyl isosulfocyanate|Allyl isosulphocyanate|Allyl isothiocyanate (natural)|Allyl isothiocyanate (usp)|Allyl isothiocyanate non-perfume grade|Allyl isothiocyanate, non-perfume grade|Allyl mustard oil|Allyl sevenolum|Allyl thioisocyanate|Allylisothiocyanat|Allylisothiokyanat|Allylisothiokyanat [czech]|Allylsenevol|ALLYLSENFOEL|Allylsevenolum|Allyspol|Allyspol 75EC|Artificial mustard oil|Artificial oil of mustard|BRN 0773748|Carbospol|Caswell No. 027|EC No.: 200-309-2|EINECS 200-309-2|FEMA No. 2034|Isothiocyanate d'allyle|isothiocyanic acid allyl ester|Isothiocyanic acid, allyl ester|Isothiocyansaeureallylester|isotiocianato de alilo|Mustard oil|Mustard oil, volatile|Mustard oil, volatile, synthetic|NCI-C50464|NSC 5572|Oil of mustard|Oil of Mustard and Allyl Isothiocyanate|Oil of mustard BPC 1949|Oil of mustard, artificial|Oleum sinapis|Oleum sinapis volatil|107231-30-1|50888-64-7|50978-48-8|58391-87-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020047 https://doi.org/10.22427/NTP-DATA-DTXSID3020047
ERPathway2016 ERPathway2016_1545 Allyl isothiocyanate 57-06-7 DTXSID3020047 ER Pathway Model, Agonist Model Score 0 Unitless C=CCN=C=S Allyl isothiocyanate 57-06-7|Allyl isothiocyanate|1-Propene, 3-isothiocyanato-|2-Propenyl isothiocyanate|200-309-2|3-Iso-Thiocyanatoprop-1-ene|3-Isothiocyanato-1-propene|3-Isothiocyanatoprop-1-ene|AIT|AITC|Allyl isosulfocyanate|Allyl isosulphocyanate|Allyl isothiocyanate (natural)|Allyl isothiocyanate (usp)|Allyl isothiocyanate non-perfume grade|Allyl isothiocyanate, non-perfume grade|Allyl mustard oil|Allyl sevenolum|Allyl thioisocyanate|Allylisothiocyanat|Allylisothiokyanat|Allylisothiokyanat [czech]|Allylsenevol|ALLYLSENFOEL|Allylsevenolum|Allyspol|Allyspol 75EC|Artificial mustard oil|Artificial oil of mustard|BRN 0773748|Carbospol|Caswell No. 027|EC No.: 200-309-2|EINECS 200-309-2|FEMA No. 2034|Isothiocyanate d'allyle|isothiocyanic acid allyl ester|Isothiocyanic acid, allyl ester|Isothiocyansaeureallylester|isotiocianato de alilo|Mustard oil|Mustard oil, volatile|Mustard oil, volatile, synthetic|NCI-C50464|NSC 5572|Oil of mustard|Oil of Mustard and Allyl Isothiocyanate|Oil of mustard BPC 1949|Oil of mustard, artificial|Oleum sinapis|Oleum sinapis volatil|107231-30-1|50888-64-7|50978-48-8|58391-87-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020047 https://doi.org/10.22427/NTP-DATA-DTXSID3020047
ERPathway2016 ERPathway2016_1545 Allyl isothiocyanate 57-06-7 DTXSID3020047 ER Pathway Model, Antagonist Model Score 0 Unitless C=CCN=C=S Allyl isothiocyanate 57-06-7|Allyl isothiocyanate|1-Propene, 3-isothiocyanato-|2-Propenyl isothiocyanate|200-309-2|3-Iso-Thiocyanatoprop-1-ene|3-Isothiocyanato-1-propene|3-Isothiocyanatoprop-1-ene|AIT|AITC|Allyl isosulfocyanate|Allyl isosulphocyanate|Allyl isothiocyanate (natural)|Allyl isothiocyanate (usp)|Allyl isothiocyanate non-perfume grade|Allyl isothiocyanate, non-perfume grade|Allyl mustard oil|Allyl sevenolum|Allyl thioisocyanate|Allylisothiocyanat|Allylisothiokyanat|Allylisothiokyanat [czech]|Allylsenevol|ALLYLSENFOEL|Allylsevenolum|Allyspol|Allyspol 75EC|Artificial mustard oil|Artificial oil of mustard|BRN 0773748|Carbospol|Caswell No. 027|EC No.: 200-309-2|EINECS 200-309-2|FEMA No. 2034|Isothiocyanate d'allyle|isothiocyanic acid allyl ester|Isothiocyanic acid, allyl ester|Isothiocyansaeureallylester|isotiocianato de alilo|Mustard oil|Mustard oil, volatile|Mustard oil, volatile, synthetic|NCI-C50464|NSC 5572|Oil of mustard|Oil of Mustard and Allyl Isothiocyanate|Oil of mustard BPC 1949|Oil of mustard, artificial|Oleum sinapis|Oleum sinapis volatil|107231-30-1|50888-64-7|50978-48-8|58391-87-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020047 https://doi.org/10.22427/NTP-DATA-DTXSID3020047
ERPathway2016 ERPathway2016_1545 Allyl isothiocyanate 57-06-7 DTXSID3020047 ER Pathway Model, Agonist Call Inactive Unitless C=CCN=C=S Allyl isothiocyanate 57-06-7|Allyl isothiocyanate|1-Propene, 3-isothiocyanato-|2-Propenyl isothiocyanate|200-309-2|3-Iso-Thiocyanatoprop-1-ene|3-Isothiocyanato-1-propene|3-Isothiocyanatoprop-1-ene|AIT|AITC|Allyl isosulfocyanate|Allyl isosulphocyanate|Allyl isothiocyanate (natural)|Allyl isothiocyanate (usp)|Allyl isothiocyanate non-perfume grade|Allyl isothiocyanate, non-perfume grade|Allyl mustard oil|Allyl sevenolum|Allyl thioisocyanate|Allylisothiocyanat|Allylisothiokyanat|Allylisothiokyanat [czech]|Allylsenevol|ALLYLSENFOEL|Allylsevenolum|Allyspol|Allyspol 75EC|Artificial mustard oil|Artificial oil of mustard|BRN 0773748|Carbospol|Caswell No. 027|EC No.: 200-309-2|EINECS 200-309-2|FEMA No. 2034|Isothiocyanate d'allyle|isothiocyanic acid allyl ester|Isothiocyanic acid, allyl ester|Isothiocyansaeureallylester|isotiocianato de alilo|Mustard oil|Mustard oil, volatile|Mustard oil, volatile, synthetic|NCI-C50464|NSC 5572|Oil of mustard|Oil of Mustard and Allyl Isothiocyanate|Oil of mustard BPC 1949|Oil of mustard, artificial|Oleum sinapis|Oleum sinapis volatil|107231-30-1|50888-64-7|50978-48-8|58391-87-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020047 https://doi.org/10.22427/NTP-DATA-DTXSID3020047
ERPathway2016 ERPathway2016_1545 Allyl isothiocyanate 57-06-7 DTXSID3020047 ER Pathway Model, Antagonist Call Inactive Unitless C=CCN=C=S Allyl isothiocyanate 57-06-7|Allyl isothiocyanate|1-Propene, 3-isothiocyanato-|2-Propenyl isothiocyanate|200-309-2|3-Iso-Thiocyanatoprop-1-ene|3-Isothiocyanato-1-propene|3-Isothiocyanatoprop-1-ene|AIT|AITC|Allyl isosulfocyanate|Allyl isosulphocyanate|Allyl isothiocyanate (natural)|Allyl isothiocyanate (usp)|Allyl isothiocyanate non-perfume grade|Allyl isothiocyanate, non-perfume grade|Allyl mustard oil|Allyl sevenolum|Allyl thioisocyanate|Allylisothiocyanat|Allylisothiokyanat|Allylisothiokyanat [czech]|Allylsenevol|ALLYLSENFOEL|Allylsevenolum|Allyspol|Allyspol 75EC|Artificial mustard oil|Artificial oil of mustard|BRN 0773748|Carbospol|Caswell No. 027|EC No.: 200-309-2|EINECS 200-309-2|FEMA No. 2034|Isothiocyanate d'allyle|isothiocyanic acid allyl ester|Isothiocyanic acid, allyl ester|Isothiocyansaeureallylester|isotiocianato de alilo|Mustard oil|Mustard oil, volatile|Mustard oil, volatile, synthetic|NCI-C50464|NSC 5572|Oil of mustard|Oil of Mustard and Allyl Isothiocyanate|Oil of mustard BPC 1949|Oil of mustard, artificial|Oleum sinapis|Oleum sinapis volatil|107231-30-1|50888-64-7|50978-48-8|58391-87-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020047 https://doi.org/10.22427/NTP-DATA-DTXSID3020047
ARPathway2016 ARPathway2016_405 alpha,alpha-Dimethylphenethyl butyrate 10094-34-5 DTXSID5038830 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC(=O)OC(C)(C)CC1=CC=CC=C1 alpha,alpha-Dimethylphenethyl butyrate 10094-34-5|alpha,alpha-Dimethylphenethyl butyrate|1,1-Dimethyl-2-phenylethyl butanoate|2-Benzyl-2-propyl butyrate|alpha,alpha-Dimethylphenethyl butyrate|Benzyl dimethyl carbinyl butyrate|Benzyl dimethylcarbinyl butyrate|Benzyl dimethylcarbinyl n-butyrate|Butanoic acid, 1,1-dimethyl-2-phenylethyl ester|Dimethylbenzylcarbinyl butyrate|Dmbc butyrate|EINECS 233-221-8|FEMA No. 2394|UNII-3Q0C60547R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038830
ARPathway2016 ARPathway2016_405 alpha,alpha-Dimethylphenethyl butyrate 10094-34-5 DTXSID5038830 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCC(=O)OC(C)(C)CC1=CC=CC=C1 alpha,alpha-Dimethylphenethyl butyrate 10094-34-5|alpha,alpha-Dimethylphenethyl butyrate|1,1-Dimethyl-2-phenylethyl butanoate|2-Benzyl-2-propyl butyrate|alpha,alpha-Dimethylphenethyl butyrate|Benzyl dimethyl carbinyl butyrate|Benzyl dimethylcarbinyl butyrate|Benzyl dimethylcarbinyl n-butyrate|Butanoic acid, 1,1-dimethyl-2-phenylethyl ester|Dimethylbenzylcarbinyl butyrate|Dmbc butyrate|EINECS 233-221-8|FEMA No. 2394|UNII-3Q0C60547R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038830
ARPathway2016 ARPathway2016_405 alpha,alpha-Dimethylphenethyl butyrate 10094-34-5 DTXSID5038830 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCC(=O)OC(C)(C)CC1=CC=CC=C1 alpha,alpha-Dimethylphenethyl butyrate 10094-34-5|alpha,alpha-Dimethylphenethyl butyrate|1,1-Dimethyl-2-phenylethyl butanoate|2-Benzyl-2-propyl butyrate|alpha,alpha-Dimethylphenethyl butyrate|Benzyl dimethyl carbinyl butyrate|Benzyl dimethylcarbinyl butyrate|Benzyl dimethylcarbinyl n-butyrate|Butanoic acid, 1,1-dimethyl-2-phenylethyl ester|Dimethylbenzylcarbinyl butyrate|Dmbc butyrate|EINECS 233-221-8|FEMA No. 2394|UNII-3Q0C60547R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038830
ARPathway2016 ARPathway2016_405 alpha,alpha-Dimethylphenethyl butyrate 10094-34-5 DTXSID5038830 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCC(=O)OC(C)(C)CC1=CC=CC=C1 alpha,alpha-Dimethylphenethyl butyrate 10094-34-5|alpha,alpha-Dimethylphenethyl butyrate|1,1-Dimethyl-2-phenylethyl butanoate|2-Benzyl-2-propyl butyrate|alpha,alpha-Dimethylphenethyl butyrate|Benzyl dimethyl carbinyl butyrate|Benzyl dimethylcarbinyl butyrate|Benzyl dimethylcarbinyl n-butyrate|Butanoic acid, 1,1-dimethyl-2-phenylethyl ester|Dimethylbenzylcarbinyl butyrate|Dmbc butyrate|EINECS 233-221-8|FEMA No. 2394|UNII-3Q0C60547R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038830
ERPathway2016 ERPathway2016_957 alpha,alpha-Dimethylphenethyl butyrate 10094-34-5 DTXSID5038830 ER Pathway Model, Agonist Model Score 0 Unitless CCCC(=O)OC(C)(C)CC1=CC=CC=C1 alpha,alpha-Dimethylphenethyl butyrate 10094-34-5|alpha,alpha-Dimethylphenethyl butyrate|1,1-Dimethyl-2-phenylethyl butanoate|2-Benzyl-2-propyl butyrate|alpha,alpha-Dimethylphenethyl butyrate|Benzyl dimethyl carbinyl butyrate|Benzyl dimethylcarbinyl butyrate|Benzyl dimethylcarbinyl n-butyrate|Butanoic acid, 1,1-dimethyl-2-phenylethyl ester|Dimethylbenzylcarbinyl butyrate|Dmbc butyrate|EINECS 233-221-8|FEMA No. 2394|UNII-3Q0C60547R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038830
ERPathway2016 ERPathway2016_957 alpha,alpha-Dimethylphenethyl butyrate 10094-34-5 DTXSID5038830 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC(=O)OC(C)(C)CC1=CC=CC=C1 alpha,alpha-Dimethylphenethyl butyrate 10094-34-5|alpha,alpha-Dimethylphenethyl butyrate|1,1-Dimethyl-2-phenylethyl butanoate|2-Benzyl-2-propyl butyrate|alpha,alpha-Dimethylphenethyl butyrate|Benzyl dimethyl carbinyl butyrate|Benzyl dimethylcarbinyl butyrate|Benzyl dimethylcarbinyl n-butyrate|Butanoic acid, 1,1-dimethyl-2-phenylethyl ester|Dimethylbenzylcarbinyl butyrate|Dmbc butyrate|EINECS 233-221-8|FEMA No. 2394|UNII-3Q0C60547R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038830
ERPathway2016 ERPathway2016_957 alpha,alpha-Dimethylphenethyl butyrate 10094-34-5 DTXSID5038830 ER Pathway Model, Agonist Call Inactive Unitless CCCC(=O)OC(C)(C)CC1=CC=CC=C1 alpha,alpha-Dimethylphenethyl butyrate 10094-34-5|alpha,alpha-Dimethylphenethyl butyrate|1,1-Dimethyl-2-phenylethyl butanoate|2-Benzyl-2-propyl butyrate|alpha,alpha-Dimethylphenethyl butyrate|Benzyl dimethyl carbinyl butyrate|Benzyl dimethylcarbinyl butyrate|Benzyl dimethylcarbinyl n-butyrate|Butanoic acid, 1,1-dimethyl-2-phenylethyl ester|Dimethylbenzylcarbinyl butyrate|Dmbc butyrate|EINECS 233-221-8|FEMA No. 2394|UNII-3Q0C60547R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038830
ERPathway2016 ERPathway2016_957 alpha,alpha-Dimethylphenethyl butyrate 10094-34-5 DTXSID5038830 ER Pathway Model, Antagonist Call Inactive Unitless CCCC(=O)OC(C)(C)CC1=CC=CC=C1 alpha,alpha-Dimethylphenethyl butyrate 10094-34-5|alpha,alpha-Dimethylphenethyl butyrate|1,1-Dimethyl-2-phenylethyl butanoate|2-Benzyl-2-propyl butyrate|alpha,alpha-Dimethylphenethyl butyrate|Benzyl dimethyl carbinyl butyrate|Benzyl dimethylcarbinyl butyrate|Benzyl dimethylcarbinyl n-butyrate|Butanoic acid, 1,1-dimethyl-2-phenylethyl ester|Dimethylbenzylcarbinyl butyrate|Dmbc butyrate|EINECS 233-221-8|FEMA No. 2394|UNII-3Q0C60547R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038830
ARPathway2016 ARPathway2016_698 alpha-Amylcinnamaldehyde 122-40-7 DTXSID8029157 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCC(C=O)=CC1=CC=CC=C1 alpha-Amylcinnamaldehyde 122-40-7|alpha-Amylcinnamaldehyde|2-(Phenylmethylene)-heptanal|2-(Phenylmethylene)heptanal|2-07-00-00310|2-Benzylideneheptanal|204-541-5|alpha- Amyl cinnamal|alpha-Amyl cinnamicaldehyde|alpha-Amyl-beta-phenylacrolein|alpha-Pentyl-beta-phenylacrolein|Amyl cinnamal|Amyl cinnamic aldehyde|Amylcinnamaldehyde|Amylcinnamic acid aldehyde|BRN 0511292|EC No.: 204-541-5|EINECS 204-541-5|FEMA No. 2061|Flomine|Heptanal, 2-(phenylmethylene)-|Heptanal, 2-benzylidene-|Jasminal|Jasminaldehyde|Jasmine aldehyde|NSC 6649|Pentylcinnamaldehyde|UNII-WC51CA3418|a-Amyl-b-phenylacrolein|a-Amylcinnamal|a-Amylcinnamaldehyde|a-Pentylcinnamaldehyde|121734-22-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029157
ARPathway2016 ARPathway2016_698 alpha-Amylcinnamaldehyde 122-40-7 DTXSID8029157 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCC(C=O)=CC1=CC=CC=C1 alpha-Amylcinnamaldehyde 122-40-7|alpha-Amylcinnamaldehyde|2-(Phenylmethylene)-heptanal|2-(Phenylmethylene)heptanal|2-07-00-00310|2-Benzylideneheptanal|204-541-5|alpha- Amyl cinnamal|alpha-Amyl cinnamicaldehyde|alpha-Amyl-beta-phenylacrolein|alpha-Pentyl-beta-phenylacrolein|Amyl cinnamal|Amyl cinnamic aldehyde|Amylcinnamaldehyde|Amylcinnamic acid aldehyde|BRN 0511292|EC No.: 204-541-5|EINECS 204-541-5|FEMA No. 2061|Flomine|Heptanal, 2-(phenylmethylene)-|Heptanal, 2-benzylidene-|Jasminal|Jasminaldehyde|Jasmine aldehyde|NSC 6649|Pentylcinnamaldehyde|UNII-WC51CA3418|a-Amyl-b-phenylacrolein|a-Amylcinnamal|a-Amylcinnamaldehyde|a-Pentylcinnamaldehyde|121734-22-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029157
ARPathway2016 ARPathway2016_698 alpha-Amylcinnamaldehyde 122-40-7 DTXSID8029157 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCC(C=O)=CC1=CC=CC=C1 alpha-Amylcinnamaldehyde 122-40-7|alpha-Amylcinnamaldehyde|2-(Phenylmethylene)-heptanal|2-(Phenylmethylene)heptanal|2-07-00-00310|2-Benzylideneheptanal|204-541-5|alpha- Amyl cinnamal|alpha-Amyl cinnamicaldehyde|alpha-Amyl-beta-phenylacrolein|alpha-Pentyl-beta-phenylacrolein|Amyl cinnamal|Amyl cinnamic aldehyde|Amylcinnamaldehyde|Amylcinnamic acid aldehyde|BRN 0511292|EC No.: 204-541-5|EINECS 204-541-5|FEMA No. 2061|Flomine|Heptanal, 2-(phenylmethylene)-|Heptanal, 2-benzylidene-|Jasminal|Jasminaldehyde|Jasmine aldehyde|NSC 6649|Pentylcinnamaldehyde|UNII-WC51CA3418|a-Amyl-b-phenylacrolein|a-Amylcinnamal|a-Amylcinnamaldehyde|a-Pentylcinnamaldehyde|121734-22-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029157
ARPathway2016 ARPathway2016_698 alpha-Amylcinnamaldehyde 122-40-7 DTXSID8029157 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCC(C=O)=CC1=CC=CC=C1 alpha-Amylcinnamaldehyde 122-40-7|alpha-Amylcinnamaldehyde|2-(Phenylmethylene)-heptanal|2-(Phenylmethylene)heptanal|2-07-00-00310|2-Benzylideneheptanal|204-541-5|alpha- Amyl cinnamal|alpha-Amyl cinnamicaldehyde|alpha-Amyl-beta-phenylacrolein|alpha-Pentyl-beta-phenylacrolein|Amyl cinnamal|Amyl cinnamic aldehyde|Amylcinnamaldehyde|Amylcinnamic acid aldehyde|BRN 0511292|EC No.: 204-541-5|EINECS 204-541-5|FEMA No. 2061|Flomine|Heptanal, 2-(phenylmethylene)-|Heptanal, 2-benzylidene-|Jasminal|Jasminaldehyde|Jasmine aldehyde|NSC 6649|Pentylcinnamaldehyde|UNII-WC51CA3418|a-Amyl-b-phenylacrolein|a-Amylcinnamal|a-Amylcinnamaldehyde|a-Pentylcinnamaldehyde|121734-22-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029157
ERPathway2016 ERPathway2016_410 alpha-Amylcinnamaldehyde 122-40-7 DTXSID8029157 ER Pathway Model, Antagonist AC50 32.7598234957921 uM CCCCCC(C=O)=CC1=CC=CC=C1 alpha-Amylcinnamaldehyde 122-40-7|alpha-Amylcinnamaldehyde|2-(Phenylmethylene)-heptanal|2-(Phenylmethylene)heptanal|2-07-00-00310|2-Benzylideneheptanal|204-541-5|alpha- Amyl cinnamal|alpha-Amyl cinnamicaldehyde|alpha-Amyl-beta-phenylacrolein|alpha-Pentyl-beta-phenylacrolein|Amyl cinnamal|Amyl cinnamic aldehyde|Amylcinnamaldehyde|Amylcinnamic acid aldehyde|BRN 0511292|EC No.: 204-541-5|EINECS 204-541-5|FEMA No. 2061|Flomine|Heptanal, 2-(phenylmethylene)-|Heptanal, 2-benzylidene-|Jasminal|Jasminaldehyde|Jasmine aldehyde|NSC 6649|Pentylcinnamaldehyde|UNII-WC51CA3418|a-Amyl-b-phenylacrolein|a-Amylcinnamal|a-Amylcinnamaldehyde|a-Pentylcinnamaldehyde|121734-22-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029157
ERPathway2016 ERPathway2016_410 alpha-Amylcinnamaldehyde 122-40-7 DTXSID8029157 ER Pathway Model, Antagonist ACC 50.2937959418898 uM CCCCCC(C=O)=CC1=CC=CC=C1 alpha-Amylcinnamaldehyde 122-40-7|alpha-Amylcinnamaldehyde|2-(Phenylmethylene)-heptanal|2-(Phenylmethylene)heptanal|2-07-00-00310|2-Benzylideneheptanal|204-541-5|alpha- Amyl cinnamal|alpha-Amyl cinnamicaldehyde|alpha-Amyl-beta-phenylacrolein|alpha-Pentyl-beta-phenylacrolein|Amyl cinnamal|Amyl cinnamic aldehyde|Amylcinnamaldehyde|Amylcinnamic acid aldehyde|BRN 0511292|EC No.: 204-541-5|EINECS 204-541-5|FEMA No. 2061|Flomine|Heptanal, 2-(phenylmethylene)-|Heptanal, 2-benzylidene-|Jasminal|Jasminaldehyde|Jasmine aldehyde|NSC 6649|Pentylcinnamaldehyde|UNII-WC51CA3418|a-Amyl-b-phenylacrolein|a-Amylcinnamal|a-Amylcinnamaldehyde|a-Pentylcinnamaldehyde|121734-22-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029157
ERPathway2016 ERPathway2016_410 alpha-Amylcinnamaldehyde 122-40-7 DTXSID8029157 ER Pathway Model, Agonist Model Score 0.00842 Unitless CCCCCC(C=O)=CC1=CC=CC=C1 alpha-Amylcinnamaldehyde 122-40-7|alpha-Amylcinnamaldehyde|2-(Phenylmethylene)-heptanal|2-(Phenylmethylene)heptanal|2-07-00-00310|2-Benzylideneheptanal|204-541-5|alpha- Amyl cinnamal|alpha-Amyl cinnamicaldehyde|alpha-Amyl-beta-phenylacrolein|alpha-Pentyl-beta-phenylacrolein|Amyl cinnamal|Amyl cinnamic aldehyde|Amylcinnamaldehyde|Amylcinnamic acid aldehyde|BRN 0511292|EC No.: 204-541-5|EINECS 204-541-5|FEMA No. 2061|Flomine|Heptanal, 2-(phenylmethylene)-|Heptanal, 2-benzylidene-|Jasminal|Jasminaldehyde|Jasmine aldehyde|NSC 6649|Pentylcinnamaldehyde|UNII-WC51CA3418|a-Amyl-b-phenylacrolein|a-Amylcinnamal|a-Amylcinnamaldehyde|a-Pentylcinnamaldehyde|121734-22-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029157
ERPathway2016 ERPathway2016_410 alpha-Amylcinnamaldehyde 122-40-7 DTXSID8029157 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCC(C=O)=CC1=CC=CC=C1 alpha-Amylcinnamaldehyde 122-40-7|alpha-Amylcinnamaldehyde|2-(Phenylmethylene)-heptanal|2-(Phenylmethylene)heptanal|2-07-00-00310|2-Benzylideneheptanal|204-541-5|alpha- Amyl cinnamal|alpha-Amyl cinnamicaldehyde|alpha-Amyl-beta-phenylacrolein|alpha-Pentyl-beta-phenylacrolein|Amyl cinnamal|Amyl cinnamic aldehyde|Amylcinnamaldehyde|Amylcinnamic acid aldehyde|BRN 0511292|EC No.: 204-541-5|EINECS 204-541-5|FEMA No. 2061|Flomine|Heptanal, 2-(phenylmethylene)-|Heptanal, 2-benzylidene-|Jasminal|Jasminaldehyde|Jasmine aldehyde|NSC 6649|Pentylcinnamaldehyde|UNII-WC51CA3418|a-Amyl-b-phenylacrolein|a-Amylcinnamal|a-Amylcinnamaldehyde|a-Pentylcinnamaldehyde|121734-22-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029157
ERPathway2016 ERPathway2016_410 alpha-Amylcinnamaldehyde 122-40-7 DTXSID8029157 ER Pathway Model, Agonist Call Inactive Unitless CCCCCC(C=O)=CC1=CC=CC=C1 alpha-Amylcinnamaldehyde 122-40-7|alpha-Amylcinnamaldehyde|2-(Phenylmethylene)-heptanal|2-(Phenylmethylene)heptanal|2-07-00-00310|2-Benzylideneheptanal|204-541-5|alpha- Amyl cinnamal|alpha-Amyl cinnamicaldehyde|alpha-Amyl-beta-phenylacrolein|alpha-Pentyl-beta-phenylacrolein|Amyl cinnamal|Amyl cinnamic aldehyde|Amylcinnamaldehyde|Amylcinnamic acid aldehyde|BRN 0511292|EC No.: 204-541-5|EINECS 204-541-5|FEMA No. 2061|Flomine|Heptanal, 2-(phenylmethylene)-|Heptanal, 2-benzylidene-|Jasminal|Jasminaldehyde|Jasmine aldehyde|NSC 6649|Pentylcinnamaldehyde|UNII-WC51CA3418|a-Amyl-b-phenylacrolein|a-Amylcinnamal|a-Amylcinnamaldehyde|a-Pentylcinnamaldehyde|121734-22-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029157
ERPathway2016 ERPathway2016_410 alpha-Amylcinnamaldehyde 122-40-7 DTXSID8029157 ER Pathway Model, Antagonist Call Active Unitless CCCCCC(C=O)=CC1=CC=CC=C1 alpha-Amylcinnamaldehyde 122-40-7|alpha-Amylcinnamaldehyde|2-(Phenylmethylene)-heptanal|2-(Phenylmethylene)heptanal|2-07-00-00310|2-Benzylideneheptanal|204-541-5|alpha- Amyl cinnamal|alpha-Amyl cinnamicaldehyde|alpha-Amyl-beta-phenylacrolein|alpha-Pentyl-beta-phenylacrolein|Amyl cinnamal|Amyl cinnamic aldehyde|Amylcinnamaldehyde|Amylcinnamic acid aldehyde|BRN 0511292|EC No.: 204-541-5|EINECS 204-541-5|FEMA No. 2061|Flomine|Heptanal, 2-(phenylmethylene)-|Heptanal, 2-benzylidene-|Jasminal|Jasminaldehyde|Jasmine aldehyde|NSC 6649|Pentylcinnamaldehyde|UNII-WC51CA3418|a-Amyl-b-phenylacrolein|a-Amylcinnamal|a-Amylcinnamaldehyde|a-Pentylcinnamaldehyde|121734-22-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029157
ARPathway2016 ARPathway2016_393 alpha-Cyclodextrin 10016-20-3 DTXSID7030698 1.0 A1 AR Pathway Model, Antagonist Model Score 0 Unitless OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O alpha-Cyclodextrin 10016-20-3|alpha-Cyclodextrin|.alpha.-Cyclodextrin|2,4,7,9,12,14,17,19,22,24,27,29-Dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane, a-cyclodextrin deriv.|Alfadex|Alfadexum|alpha-Cycloamylose|alpha-Cyclodextrin|alpha-Dextrin|alpha-Schardinger dextrin|Cavamax W 6|Cavamax W 6 Food|Celdex A 100|ciclohexapentilosa|Cyclohexaamylose|Cyclohexaamylose carbonate|Cyclohexadextrin|Cyclohexapentylose|Cyclomaltohexaose|Cyclomaltohexose|Dextrin, alpha-cyclo|Dextrin, a-cyclo|Dexy Pearl a-100|EINECS 233-007-4|EINECS No.: 233-007-4|Isoeleat K 50|NSC 269470|Ringdex A|Stereoisomer of 5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol|UNII-Z1LH97KTRM|a-Cycloamylose|a-Cyclodextrin|a-Dextrin|a-Schardinger dextrin|1229648-14-9|1244024-89-2|23513-50-0|41871-62-9|47910-04-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030698 https://doi.org/10.22427/NTP-DATA-DTXSID7030698
ARPathway2016 ARPathway2016_393 alpha-Cyclodextrin 10016-20-3 DTXSID7030698 1.0 A1 AR Pathway Model, Agonist Model Score 0 Unitless OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O alpha-Cyclodextrin 10016-20-3|alpha-Cyclodextrin|.alpha.-Cyclodextrin|2,4,7,9,12,14,17,19,22,24,27,29-Dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane, a-cyclodextrin deriv.|Alfadex|Alfadexum|alpha-Cycloamylose|alpha-Cyclodextrin|alpha-Dextrin|alpha-Schardinger dextrin|Cavamax W 6|Cavamax W 6 Food|Celdex A 100|ciclohexapentilosa|Cyclohexaamylose|Cyclohexaamylose carbonate|Cyclohexadextrin|Cyclohexapentylose|Cyclomaltohexaose|Cyclomaltohexose|Dextrin, alpha-cyclo|Dextrin, a-cyclo|Dexy Pearl a-100|EINECS 233-007-4|EINECS No.: 233-007-4|Isoeleat K 50|NSC 269470|Ringdex A|Stereoisomer of 5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol|UNII-Z1LH97KTRM|a-Cycloamylose|a-Cyclodextrin|a-Dextrin|a-Schardinger dextrin|1229648-14-9|1244024-89-2|23513-50-0|41871-62-9|47910-04-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030698 https://doi.org/10.22427/NTP-DATA-DTXSID7030698
ARPathway2016 ARPathway2016_393 alpha-Cyclodextrin 10016-20-3 DTXSID7030698 1.0 A1 AR Pathway Model, Agonist Call Inactive Unitless OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O alpha-Cyclodextrin 10016-20-3|alpha-Cyclodextrin|.alpha.-Cyclodextrin|2,4,7,9,12,14,17,19,22,24,27,29-Dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane, a-cyclodextrin deriv.|Alfadex|Alfadexum|alpha-Cycloamylose|alpha-Cyclodextrin|alpha-Dextrin|alpha-Schardinger dextrin|Cavamax W 6|Cavamax W 6 Food|Celdex A 100|ciclohexapentilosa|Cyclohexaamylose|Cyclohexaamylose carbonate|Cyclohexadextrin|Cyclohexapentylose|Cyclomaltohexaose|Cyclomaltohexose|Dextrin, alpha-cyclo|Dextrin, a-cyclo|Dexy Pearl a-100|EINECS 233-007-4|EINECS No.: 233-007-4|Isoeleat K 50|NSC 269470|Ringdex A|Stereoisomer of 5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol|UNII-Z1LH97KTRM|a-Cycloamylose|a-Cyclodextrin|a-Dextrin|a-Schardinger dextrin|1229648-14-9|1244024-89-2|23513-50-0|41871-62-9|47910-04-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030698 https://doi.org/10.22427/NTP-DATA-DTXSID7030698
ARPathway2016 ARPathway2016_393 alpha-Cyclodextrin 10016-20-3 DTXSID7030698 1.0 A1 AR Pathway Model, Antagonist Call Inactive Unitless OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O alpha-Cyclodextrin 10016-20-3|alpha-Cyclodextrin|.alpha.-Cyclodextrin|2,4,7,9,12,14,17,19,22,24,27,29-Dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane, a-cyclodextrin deriv.|Alfadex|Alfadexum|alpha-Cycloamylose|alpha-Cyclodextrin|alpha-Dextrin|alpha-Schardinger dextrin|Cavamax W 6|Cavamax W 6 Food|Celdex A 100|ciclohexapentilosa|Cyclohexaamylose|Cyclohexaamylose carbonate|Cyclohexadextrin|Cyclohexapentylose|Cyclomaltohexaose|Cyclomaltohexose|Dextrin, alpha-cyclo|Dextrin, a-cyclo|Dexy Pearl a-100|EINECS 233-007-4|EINECS No.: 233-007-4|Isoeleat K 50|NSC 269470|Ringdex A|Stereoisomer of 5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol|UNII-Z1LH97KTRM|a-Cycloamylose|a-Cyclodextrin|a-Dextrin|a-Schardinger dextrin|1229648-14-9|1244024-89-2|23513-50-0|41871-62-9|47910-04-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030698 https://doi.org/10.22427/NTP-DATA-DTXSID7030698
ERPathway2016 ERPathway2016_491 alpha-Cyclodextrin 10016-20-3 DTXSID7030698 R3 ER Pathway Model, Agonist Model Score 0 Unitless OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O alpha-Cyclodextrin 10016-20-3|alpha-Cyclodextrin|.alpha.-Cyclodextrin|2,4,7,9,12,14,17,19,22,24,27,29-Dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane, a-cyclodextrin deriv.|Alfadex|Alfadexum|alpha-Cycloamylose|alpha-Cyclodextrin|alpha-Dextrin|alpha-Schardinger dextrin|Cavamax W 6|Cavamax W 6 Food|Celdex A 100|ciclohexapentilosa|Cyclohexaamylose|Cyclohexaamylose carbonate|Cyclohexadextrin|Cyclohexapentylose|Cyclomaltohexaose|Cyclomaltohexose|Dextrin, alpha-cyclo|Dextrin, a-cyclo|Dexy Pearl a-100|EINECS 233-007-4|EINECS No.: 233-007-4|Isoeleat K 50|NSC 269470|Ringdex A|Stereoisomer of 5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol|UNII-Z1LH97KTRM|a-Cycloamylose|a-Cyclodextrin|a-Dextrin|a-Schardinger dextrin|1229648-14-9|1244024-89-2|23513-50-0|41871-62-9|47910-04-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030698 https://doi.org/10.22427/NTP-DATA-DTXSID7030698
ERPathway2016 ERPathway2016_491 alpha-Cyclodextrin 10016-20-3 DTXSID7030698 R3 ER Pathway Model, Antagonist Model Score 0 Unitless OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O alpha-Cyclodextrin 10016-20-3|alpha-Cyclodextrin|.alpha.-Cyclodextrin|2,4,7,9,12,14,17,19,22,24,27,29-Dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane, a-cyclodextrin deriv.|Alfadex|Alfadexum|alpha-Cycloamylose|alpha-Cyclodextrin|alpha-Dextrin|alpha-Schardinger dextrin|Cavamax W 6|Cavamax W 6 Food|Celdex A 100|ciclohexapentilosa|Cyclohexaamylose|Cyclohexaamylose carbonate|Cyclohexadextrin|Cyclohexapentylose|Cyclomaltohexaose|Cyclomaltohexose|Dextrin, alpha-cyclo|Dextrin, a-cyclo|Dexy Pearl a-100|EINECS 233-007-4|EINECS No.: 233-007-4|Isoeleat K 50|NSC 269470|Ringdex A|Stereoisomer of 5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol|UNII-Z1LH97KTRM|a-Cycloamylose|a-Cyclodextrin|a-Dextrin|a-Schardinger dextrin|1229648-14-9|1244024-89-2|23513-50-0|41871-62-9|47910-04-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030698 https://doi.org/10.22427/NTP-DATA-DTXSID7030698
ERPathway2016 ERPathway2016_491 alpha-Cyclodextrin 10016-20-3 DTXSID7030698 R3 ER Pathway Model, Agonist Call Inactive Unitless OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O alpha-Cyclodextrin 10016-20-3|alpha-Cyclodextrin|.alpha.-Cyclodextrin|2,4,7,9,12,14,17,19,22,24,27,29-Dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane, a-cyclodextrin deriv.|Alfadex|Alfadexum|alpha-Cycloamylose|alpha-Cyclodextrin|alpha-Dextrin|alpha-Schardinger dextrin|Cavamax W 6|Cavamax W 6 Food|Celdex A 100|ciclohexapentilosa|Cyclohexaamylose|Cyclohexaamylose carbonate|Cyclohexadextrin|Cyclohexapentylose|Cyclomaltohexaose|Cyclomaltohexose|Dextrin, alpha-cyclo|Dextrin, a-cyclo|Dexy Pearl a-100|EINECS 233-007-4|EINECS No.: 233-007-4|Isoeleat K 50|NSC 269470|Ringdex A|Stereoisomer of 5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol|UNII-Z1LH97KTRM|a-Cycloamylose|a-Cyclodextrin|a-Dextrin|a-Schardinger dextrin|1229648-14-9|1244024-89-2|23513-50-0|41871-62-9|47910-04-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030698 https://doi.org/10.22427/NTP-DATA-DTXSID7030698
ERPathway2016 ERPathway2016_491 alpha-Cyclodextrin 10016-20-3 DTXSID7030698 R3 ER Pathway Model, Antagonist Call Inactive Unitless OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O alpha-Cyclodextrin 10016-20-3|alpha-Cyclodextrin|.alpha.-Cyclodextrin|2,4,7,9,12,14,17,19,22,24,27,29-Dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane, a-cyclodextrin deriv.|Alfadex|Alfadexum|alpha-Cycloamylose|alpha-Cyclodextrin|alpha-Dextrin|alpha-Schardinger dextrin|Cavamax W 6|Cavamax W 6 Food|Celdex A 100|ciclohexapentilosa|Cyclohexaamylose|Cyclohexaamylose carbonate|Cyclohexadextrin|Cyclohexapentylose|Cyclomaltohexaose|Cyclomaltohexose|Dextrin, alpha-cyclo|Dextrin, a-cyclo|Dexy Pearl a-100|EINECS 233-007-4|EINECS No.: 233-007-4|Isoeleat K 50|NSC 269470|Ringdex A|Stereoisomer of 5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol|UNII-Z1LH97KTRM|a-Cycloamylose|a-Cyclodextrin|a-Dextrin|a-Schardinger dextrin|1229648-14-9|1244024-89-2|23513-50-0|41871-62-9|47910-04-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7030698 https://doi.org/10.22427/NTP-DATA-DTXSID7030698
ARPathway2016 ARPathway2016_758 alpha-Ionone 127-41-3 DTXSID0035160 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)C=CC1C(C)=CCCC1(C)C alpha-Ionone 127-41-3|alpha-Ionone|(+/-)-trans-a-Ionone|(+/-)-a-Ionone|(3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-on|(3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one|(5E)-Ionone|(E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one|(E)-alpha-Ionone|(E)-a-Ionone|204-841-6|3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-|3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-|4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-one|4-(2,6,6-Trimethylcyclohex-2-en-1-yl)-but-3-en-2-on|4-(2,6,6-Trimethylcyclohex-2-en-1-yl)-but-3-en-2-one|4-(2,6,6-trimethylcyclohex-2-ene-1-yl)-but-3-ene-2-one|4-(2,6,6-trimetilciclohex-2-eno-1-il)-but-3-eno-2-ona|alpha-(E)-ionone|alpha-cyclocitrylideneacetone|alpha-Ionon|BUT-3-EN-2-ONE, 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-, (E)-|Cyclocitrylideneacetone, alpha-|EC No.: 204-841-6|EINECS 204-841-6|FEMA No. 2594|trans-alpha-Ionone|trans-a-Ionone|UNII-I9V075M61R|a-Cyclocitrylidenea|30685-95-1|31798-11-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035160
ARPathway2016 ARPathway2016_758 alpha-Ionone 127-41-3 DTXSID0035160 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)C=CC1C(C)=CCCC1(C)C alpha-Ionone 127-41-3|alpha-Ionone|(+/-)-trans-a-Ionone|(+/-)-a-Ionone|(3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-on|(3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one|(5E)-Ionone|(E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one|(E)-alpha-Ionone|(E)-a-Ionone|204-841-6|3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-|3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-|4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-one|4-(2,6,6-Trimethylcyclohex-2-en-1-yl)-but-3-en-2-on|4-(2,6,6-Trimethylcyclohex-2-en-1-yl)-but-3-en-2-one|4-(2,6,6-trimethylcyclohex-2-ene-1-yl)-but-3-ene-2-one|4-(2,6,6-trimetilciclohex-2-eno-1-il)-but-3-eno-2-ona|alpha-(E)-ionone|alpha-cyclocitrylideneacetone|alpha-Ionon|BUT-3-EN-2-ONE, 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-, (E)-|Cyclocitrylideneacetone, alpha-|EC No.: 204-841-6|EINECS 204-841-6|FEMA No. 2594|trans-alpha-Ionone|trans-a-Ionone|UNII-I9V075M61R|a-Cyclocitrylidenea|30685-95-1|31798-11-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035160
ARPathway2016 ARPathway2016_758 alpha-Ionone 127-41-3 DTXSID0035160 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C=CC1C(C)=CCCC1(C)C alpha-Ionone 127-41-3|alpha-Ionone|(+/-)-trans-a-Ionone|(+/-)-a-Ionone|(3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-on|(3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one|(5E)-Ionone|(E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one|(E)-alpha-Ionone|(E)-a-Ionone|204-841-6|3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-|3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-|4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-one|4-(2,6,6-Trimethylcyclohex-2-en-1-yl)-but-3-en-2-on|4-(2,6,6-Trimethylcyclohex-2-en-1-yl)-but-3-en-2-one|4-(2,6,6-trimethylcyclohex-2-ene-1-yl)-but-3-ene-2-one|4-(2,6,6-trimetilciclohex-2-eno-1-il)-but-3-eno-2-ona|alpha-(E)-ionone|alpha-cyclocitrylideneacetone|alpha-Ionon|BUT-3-EN-2-ONE, 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-, (E)-|Cyclocitrylideneacetone, alpha-|EC No.: 204-841-6|EINECS 204-841-6|FEMA No. 2594|trans-alpha-Ionone|trans-a-Ionone|UNII-I9V075M61R|a-Cyclocitrylidenea|30685-95-1|31798-11-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035160
ARPathway2016 ARPathway2016_758 alpha-Ionone 127-41-3 DTXSID0035160 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)C=CC1C(C)=CCCC1(C)C alpha-Ionone 127-41-3|alpha-Ionone|(+/-)-trans-a-Ionone|(+/-)-a-Ionone|(3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-on|(3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one|(5E)-Ionone|(E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one|(E)-alpha-Ionone|(E)-a-Ionone|204-841-6|3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-|3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-|4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-one|4-(2,6,6-Trimethylcyclohex-2-en-1-yl)-but-3-en-2-on|4-(2,6,6-Trimethylcyclohex-2-en-1-yl)-but-3-en-2-one|4-(2,6,6-trimethylcyclohex-2-ene-1-yl)-but-3-ene-2-one|4-(2,6,6-trimetilciclohex-2-eno-1-il)-but-3-eno-2-ona|alpha-(E)-ionone|alpha-cyclocitrylideneacetone|alpha-Ionon|BUT-3-EN-2-ONE, 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-, (E)-|Cyclocitrylideneacetone, alpha-|EC No.: 204-841-6|EINECS 204-841-6|FEMA No. 2594|trans-alpha-Ionone|trans-a-Ionone|UNII-I9V075M61R|a-Cyclocitrylidenea|30685-95-1|31798-11-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035160
ERPathway2016 ERPathway2016_824 alpha-Ionone 127-41-3 DTXSID0035160 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)C=CC1C(C)=CCCC1(C)C alpha-Ionone 127-41-3|alpha-Ionone|(+/-)-trans-a-Ionone|(+/-)-a-Ionone|(3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-on|(3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one|(5E)-Ionone|(E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one|(E)-alpha-Ionone|(E)-a-Ionone|204-841-6|3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-|3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-|4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-one|4-(2,6,6-Trimethylcyclohex-2-en-1-yl)-but-3-en-2-on|4-(2,6,6-Trimethylcyclohex-2-en-1-yl)-but-3-en-2-one|4-(2,6,6-trimethylcyclohex-2-ene-1-yl)-but-3-ene-2-one|4-(2,6,6-trimetilciclohex-2-eno-1-il)-but-3-eno-2-ona|alpha-(E)-ionone|alpha-cyclocitrylideneacetone|alpha-Ionon|BUT-3-EN-2-ONE, 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-, (E)-|Cyclocitrylideneacetone, alpha-|EC No.: 204-841-6|EINECS 204-841-6|FEMA No. 2594|trans-alpha-Ionone|trans-a-Ionone|UNII-I9V075M61R|a-Cyclocitrylidenea|30685-95-1|31798-11-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035160
ERPathway2016 ERPathway2016_824 alpha-Ionone 127-41-3 DTXSID0035160 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C=CC1C(C)=CCCC1(C)C alpha-Ionone 127-41-3|alpha-Ionone|(+/-)-trans-a-Ionone|(+/-)-a-Ionone|(3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-on|(3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one|(5E)-Ionone|(E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one|(E)-alpha-Ionone|(E)-a-Ionone|204-841-6|3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-|3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-|4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-one|4-(2,6,6-Trimethylcyclohex-2-en-1-yl)-but-3-en-2-on|4-(2,6,6-Trimethylcyclohex-2-en-1-yl)-but-3-en-2-one|4-(2,6,6-trimethylcyclohex-2-ene-1-yl)-but-3-ene-2-one|4-(2,6,6-trimetilciclohex-2-eno-1-il)-but-3-eno-2-ona|alpha-(E)-ionone|alpha-cyclocitrylideneacetone|alpha-Ionon|BUT-3-EN-2-ONE, 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-, (E)-|Cyclocitrylideneacetone, alpha-|EC No.: 204-841-6|EINECS 204-841-6|FEMA No. 2594|trans-alpha-Ionone|trans-a-Ionone|UNII-I9V075M61R|a-Cyclocitrylidenea|30685-95-1|31798-11-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035160
ERPathway2016 ERPathway2016_824 alpha-Ionone 127-41-3 DTXSID0035160 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)C=CC1C(C)=CCCC1(C)C alpha-Ionone 127-41-3|alpha-Ionone|(+/-)-trans-a-Ionone|(+/-)-a-Ionone|(3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-on|(3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one|(5E)-Ionone|(E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one|(E)-alpha-Ionone|(E)-a-Ionone|204-841-6|3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-|3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-|4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-one|4-(2,6,6-Trimethylcyclohex-2-en-1-yl)-but-3-en-2-on|4-(2,6,6-Trimethylcyclohex-2-en-1-yl)-but-3-en-2-one|4-(2,6,6-trimethylcyclohex-2-ene-1-yl)-but-3-ene-2-one|4-(2,6,6-trimetilciclohex-2-eno-1-il)-but-3-eno-2-ona|alpha-(E)-ionone|alpha-cyclocitrylideneacetone|alpha-Ionon|BUT-3-EN-2-ONE, 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-, (E)-|Cyclocitrylideneacetone, alpha-|EC No.: 204-841-6|EINECS 204-841-6|FEMA No. 2594|trans-alpha-Ionone|trans-a-Ionone|UNII-I9V075M61R|a-Cyclocitrylidenea|30685-95-1|31798-11-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035160
ERPathway2016 ERPathway2016_824 alpha-Ionone 127-41-3 DTXSID0035160 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)C=CC1C(C)=CCCC1(C)C alpha-Ionone 127-41-3|alpha-Ionone|(+/-)-trans-a-Ionone|(+/-)-a-Ionone|(3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-on|(3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one|(5E)-Ionone|(E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one|(E)-alpha-Ionone|(E)-a-Ionone|204-841-6|3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-|3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-|4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-one|4-(2,6,6-Trimethylcyclohex-2-en-1-yl)-but-3-en-2-on|4-(2,6,6-Trimethylcyclohex-2-en-1-yl)-but-3-en-2-one|4-(2,6,6-trimethylcyclohex-2-ene-1-yl)-but-3-ene-2-one|4-(2,6,6-trimetilciclohex-2-eno-1-il)-but-3-eno-2-ona|alpha-(E)-ionone|alpha-cyclocitrylideneacetone|alpha-Ionon|BUT-3-EN-2-ONE, 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-, (E)-|Cyclocitrylideneacetone, alpha-|EC No.: 204-841-6|EINECS 204-841-6|FEMA No. 2594|trans-alpha-Ionone|trans-a-Ionone|UNII-I9V075M61R|a-Cyclocitrylidenea|30685-95-1|31798-11-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035160
ARPathway2016 ARPathway2016_1607 alpha-Pinene 80-56-8 DTXSID4026501 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CCC2CC1C2(C)C alpha-Pinene 80-56-8|alpha-Pinene|(+/-)-2-Pinene|(+/-)-alpha-pinene|(+/-)-a-Pinene|2-pinene|2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene|2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene|2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene|4-05-00-00456|4,6,6-Trimethylbicyklo(3,1,1)hept-3-en|Acintene A|Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl|BICYCLO(3.1.1)HEPT-2-ENE, 2,6,6-TRIMETHYL-|Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-|BRN 3194807|EC No.: 201-291-9|EINECS 201-291-9|EINECS 219-445-9|FEMA No. 2902|FEMA Number 2902|Leavo 95|NSC 7727|PC 500 (terpene)|Pin-2(3)-en|Pin-2(3)-ene|pin-2(3)-eno|Pinene isomer|PINENE, ALPHA|Sylvapine A|UN 2368|UNII-JPF3YI7O34|a-PINENE|a-Pinene, Pin-2(3)-ene|2437-95-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026501
ARPathway2016 ARPathway2016_1607 alpha-Pinene 80-56-8 DTXSID4026501 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CCC2CC1C2(C)C alpha-Pinene 80-56-8|alpha-Pinene|(+/-)-2-Pinene|(+/-)-alpha-pinene|(+/-)-a-Pinene|2-pinene|2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene|2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene|2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene|4-05-00-00456|4,6,6-Trimethylbicyklo(3,1,1)hept-3-en|Acintene A|Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl|BICYCLO(3.1.1)HEPT-2-ENE, 2,6,6-TRIMETHYL-|Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-|BRN 3194807|EC No.: 201-291-9|EINECS 201-291-9|EINECS 219-445-9|FEMA No. 2902|FEMA Number 2902|Leavo 95|NSC 7727|PC 500 (terpene)|Pin-2(3)-en|Pin-2(3)-ene|pin-2(3)-eno|Pinene isomer|PINENE, ALPHA|Sylvapine A|UN 2368|UNII-JPF3YI7O34|a-PINENE|a-Pinene, Pin-2(3)-ene|2437-95-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026501
ARPathway2016 ARPathway2016_1607 alpha-Pinene 80-56-8 DTXSID4026501 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CCC2CC1C2(C)C alpha-Pinene 80-56-8|alpha-Pinene|(+/-)-2-Pinene|(+/-)-alpha-pinene|(+/-)-a-Pinene|2-pinene|2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene|2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene|2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene|4-05-00-00456|4,6,6-Trimethylbicyklo(3,1,1)hept-3-en|Acintene A|Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl|BICYCLO(3.1.1)HEPT-2-ENE, 2,6,6-TRIMETHYL-|Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-|BRN 3194807|EC No.: 201-291-9|EINECS 201-291-9|EINECS 219-445-9|FEMA No. 2902|FEMA Number 2902|Leavo 95|NSC 7727|PC 500 (terpene)|Pin-2(3)-en|Pin-2(3)-ene|pin-2(3)-eno|Pinene isomer|PINENE, ALPHA|Sylvapine A|UN 2368|UNII-JPF3YI7O34|a-PINENE|a-Pinene, Pin-2(3)-ene|2437-95-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026501
ARPathway2016 ARPathway2016_1607 alpha-Pinene 80-56-8 DTXSID4026501 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CCC2CC1C2(C)C alpha-Pinene 80-56-8|alpha-Pinene|(+/-)-2-Pinene|(+/-)-alpha-pinene|(+/-)-a-Pinene|2-pinene|2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene|2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene|2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene|4-05-00-00456|4,6,6-Trimethylbicyklo(3,1,1)hept-3-en|Acintene A|Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl|BICYCLO(3.1.1)HEPT-2-ENE, 2,6,6-TRIMETHYL-|Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-|BRN 3194807|EC No.: 201-291-9|EINECS 201-291-9|EINECS 219-445-9|FEMA No. 2902|FEMA Number 2902|Leavo 95|NSC 7727|PC 500 (terpene)|Pin-2(3)-en|Pin-2(3)-ene|pin-2(3)-eno|Pinene isomer|PINENE, ALPHA|Sylvapine A|UN 2368|UNII-JPF3YI7O34|a-PINENE|a-Pinene, Pin-2(3)-ene|2437-95-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026501
ERPathway2016 ERPathway2016_1681 alpha-Pinene 80-56-8 DTXSID4026501 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CCC2CC1C2(C)C alpha-Pinene 80-56-8|alpha-Pinene|(+/-)-2-Pinene|(+/-)-alpha-pinene|(+/-)-a-Pinene|2-pinene|2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene|2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene|2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene|4-05-00-00456|4,6,6-Trimethylbicyklo(3,1,1)hept-3-en|Acintene A|Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl|BICYCLO(3.1.1)HEPT-2-ENE, 2,6,6-TRIMETHYL-|Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-|BRN 3194807|EC No.: 201-291-9|EINECS 201-291-9|EINECS 219-445-9|FEMA No. 2902|FEMA Number 2902|Leavo 95|NSC 7727|PC 500 (terpene)|Pin-2(3)-en|Pin-2(3)-ene|pin-2(3)-eno|Pinene isomer|PINENE, ALPHA|Sylvapine A|UN 2368|UNII-JPF3YI7O34|a-PINENE|a-Pinene, Pin-2(3)-ene|2437-95-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026501
ERPathway2016 ERPathway2016_1681 alpha-Pinene 80-56-8 DTXSID4026501 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CCC2CC1C2(C)C alpha-Pinene 80-56-8|alpha-Pinene|(+/-)-2-Pinene|(+/-)-alpha-pinene|(+/-)-a-Pinene|2-pinene|2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene|2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene|2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene|4-05-00-00456|4,6,6-Trimethylbicyklo(3,1,1)hept-3-en|Acintene A|Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl|BICYCLO(3.1.1)HEPT-2-ENE, 2,6,6-TRIMETHYL-|Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-|BRN 3194807|EC No.: 201-291-9|EINECS 201-291-9|EINECS 219-445-9|FEMA No. 2902|FEMA Number 2902|Leavo 95|NSC 7727|PC 500 (terpene)|Pin-2(3)-en|Pin-2(3)-ene|pin-2(3)-eno|Pinene isomer|PINENE, ALPHA|Sylvapine A|UN 2368|UNII-JPF3YI7O34|a-PINENE|a-Pinene, Pin-2(3)-ene|2437-95-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026501
ERPathway2016 ERPathway2016_1681 alpha-Pinene 80-56-8 DTXSID4026501 ER Pathway Model, Agonist Call Inactive Unitless CC1=CCC2CC1C2(C)C alpha-Pinene 80-56-8|alpha-Pinene|(+/-)-2-Pinene|(+/-)-alpha-pinene|(+/-)-a-Pinene|2-pinene|2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene|2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene|2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene|4-05-00-00456|4,6,6-Trimethylbicyklo(3,1,1)hept-3-en|Acintene A|Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl|BICYCLO(3.1.1)HEPT-2-ENE, 2,6,6-TRIMETHYL-|Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-|BRN 3194807|EC No.: 201-291-9|EINECS 201-291-9|EINECS 219-445-9|FEMA No. 2902|FEMA Number 2902|Leavo 95|NSC 7727|PC 500 (terpene)|Pin-2(3)-en|Pin-2(3)-ene|pin-2(3)-eno|Pinene isomer|PINENE, ALPHA|Sylvapine A|UN 2368|UNII-JPF3YI7O34|a-PINENE|a-Pinene, Pin-2(3)-ene|2437-95-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026501
ERPathway2016 ERPathway2016_1681 alpha-Pinene 80-56-8 DTXSID4026501 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CCC2CC1C2(C)C alpha-Pinene 80-56-8|alpha-Pinene|(+/-)-2-Pinene|(+/-)-alpha-pinene|(+/-)-a-Pinene|2-pinene|2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene|2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene|2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene|4-05-00-00456|4,6,6-Trimethylbicyklo(3,1,1)hept-3-en|Acintene A|Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl|BICYCLO(3.1.1)HEPT-2-ENE, 2,6,6-TRIMETHYL-|Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-|BRN 3194807|EC No.: 201-291-9|EINECS 201-291-9|EINECS 219-445-9|FEMA No. 2902|FEMA Number 2902|Leavo 95|NSC 7727|PC 500 (terpene)|Pin-2(3)-en|Pin-2(3)-ene|pin-2(3)-eno|Pinene isomer|PINENE, ALPHA|Sylvapine A|UN 2368|UNII-JPF3YI7O34|a-PINENE|a-Pinene, Pin-2(3)-ene|2437-95-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026501
ARPathway2016 ARPathway2016_1696 alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4 DTXSID2029298 0.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCCCCCCCCCOCCOS([O-])(=O)=O |lp:13:2,16:2,18:3,19:2,20:2,Sg:n:16,15,14::ht| alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|81-5B|Abex 18S|Actinol SL 3|Alkanate 3SL3|Alkasurf ES 60|alpha-Sulfo-omega-(dodecyloxy)-poly(oxy-1,2-ethanediyl)-, sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl)sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxyethylene), sel de sodium|Alscoap AP 30|Alscoap AT 370|Alscoap TAP 30|Avirol 100E|Beaulight NA 25S|Calfoam ES 30|Calfoam ES 302|Calfoam ES 603|Chemsalan RLM 70EO2|Conco Sulfate WE|Cycloryl NA|Cycloryl NA 2|Cycloryl NA 61CG|Disponil FE 32IS|Disponil FES 32|Disponil FES 32IS|Disponil FES 61|Disponil FES 77|Disponil FES 77IS|Disponil FES 92E|Disponil FES 993|Disponil FES 993IS|Dodecyl alcohol, monoether with polyethylene glycol, hydrogen sulfate sodium salt|Eicosaethylene glycol dodecyl ether sulfate sodium salt|Elfan NS 242|Elfan NS 243|Elfan NS 2436|Elfan NS 243S|Elfan NS 252S|Emal 20C-NP|Emal 20CMS-FE|Emal 270D/EG|Empicol 0251|Empicol 0342|Empicol 0405|Empicol ESA|Empicol ESA/A 2|Empicol ESB|Empicol ESB 28|Empicol ESB|1014689-13-4|11121-04-3|113096-26-7|115284-60-1|116958-77-1|119764-46-4|124124-10-3|12627-22-4|12627-23-5|1269763-95-2|128835-50-7|1307693-64-6|131015-92-4|1335-73-5|134364-63-9|136752-27-7|1422159-09-8|1467719-83-0|150502-17-3|152157-39-6|156107-97-0|157481-33-9|1691242-43-9|170006-55-0|171544-36-8|181434-79-7|185461-11-4|199605-58-8|2131044-85-2|214976-60-0|216958-79-1|221041-96-9|2250420-04-1|236428-70-9|256225-57-7|263568-54-3|306291-75-8|32057-62-8|336794-32-2|37325-23-8|39390-84-6|39450-08-3|42504-27-8|507487-64-1|51059-21-3|53663-56-2|56572-89-5|57762-43-3|57762-59-1|577977-94-7|649569-38-0|66747-17-9|73651-68-0|74349-47-6|76724-02-2|865812-37-9|868601-22-3|923025-18-7|951330-36-2|95508-27-3|98112-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029298
ARPathway2016 ARPathway2016_1696 alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4 DTXSID2029298 0.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCCCCCCCCCOCCOS([O-])(=O)=O |lp:13:2,16:2,18:3,19:2,20:2,Sg:n:16,15,14::ht| alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|81-5B|Abex 18S|Actinol SL 3|Alkanate 3SL3|Alkasurf ES 60|alpha-Sulfo-omega-(dodecyloxy)-poly(oxy-1,2-ethanediyl)-, sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl)sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxyethylene), sel de sodium|Alscoap AP 30|Alscoap AT 370|Alscoap TAP 30|Avirol 100E|Beaulight NA 25S|Calfoam ES 30|Calfoam ES 302|Calfoam ES 603|Chemsalan RLM 70EO2|Conco Sulfate WE|Cycloryl NA|Cycloryl NA 2|Cycloryl NA 61CG|Disponil FE 32IS|Disponil FES 32|Disponil FES 32IS|Disponil FES 61|Disponil FES 77|Disponil FES 77IS|Disponil FES 92E|Disponil FES 993|Disponil FES 993IS|Dodecyl alcohol, monoether with polyethylene glycol, hydrogen sulfate sodium salt|Eicosaethylene glycol dodecyl ether sulfate sodium salt|Elfan NS 242|Elfan NS 243|Elfan NS 2436|Elfan NS 243S|Elfan NS 252S|Emal 20C-NP|Emal 20CMS-FE|Emal 270D/EG|Empicol 0251|Empicol 0342|Empicol 0405|Empicol ESA|Empicol ESA/A 2|Empicol ESB|Empicol ESB 28|Empicol ESB|1014689-13-4|11121-04-3|113096-26-7|115284-60-1|116958-77-1|119764-46-4|124124-10-3|12627-22-4|12627-23-5|1269763-95-2|128835-50-7|1307693-64-6|131015-92-4|1335-73-5|134364-63-9|136752-27-7|1422159-09-8|1467719-83-0|150502-17-3|152157-39-6|156107-97-0|157481-33-9|1691242-43-9|170006-55-0|171544-36-8|181434-79-7|185461-11-4|199605-58-8|2131044-85-2|214976-60-0|216958-79-1|221041-96-9|2250420-04-1|236428-70-9|256225-57-7|263568-54-3|306291-75-8|32057-62-8|336794-32-2|37325-23-8|39390-84-6|39450-08-3|42504-27-8|507487-64-1|51059-21-3|53663-56-2|56572-89-5|57762-43-3|57762-59-1|577977-94-7|649569-38-0|66747-17-9|73651-68-0|74349-47-6|76724-02-2|865812-37-9|868601-22-3|923025-18-7|951330-36-2|95508-27-3|98112-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029298
ARPathway2016 ARPathway2016_1696 alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4 DTXSID2029298 0.0 A3 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCCCCCCCCCOCCOS([O-])(=O)=O |lp:13:2,16:2,18:3,19:2,20:2,Sg:n:16,15,14::ht| alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|81-5B|Abex 18S|Actinol SL 3|Alkanate 3SL3|Alkasurf ES 60|alpha-Sulfo-omega-(dodecyloxy)-poly(oxy-1,2-ethanediyl)-, sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl)sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxyethylene), sel de sodium|Alscoap AP 30|Alscoap AT 370|Alscoap TAP 30|Avirol 100E|Beaulight NA 25S|Calfoam ES 30|Calfoam ES 302|Calfoam ES 603|Chemsalan RLM 70EO2|Conco Sulfate WE|Cycloryl NA|Cycloryl NA 2|Cycloryl NA 61CG|Disponil FE 32IS|Disponil FES 32|Disponil FES 32IS|Disponil FES 61|Disponil FES 77|Disponil FES 77IS|Disponil FES 92E|Disponil FES 993|Disponil FES 993IS|Dodecyl alcohol, monoether with polyethylene glycol, hydrogen sulfate sodium salt|Eicosaethylene glycol dodecyl ether sulfate sodium salt|Elfan NS 242|Elfan NS 243|Elfan NS 2436|Elfan NS 243S|Elfan NS 252S|Emal 20C-NP|Emal 20CMS-FE|Emal 270D/EG|Empicol 0251|Empicol 0342|Empicol 0405|Empicol ESA|Empicol ESA/A 2|Empicol ESB|Empicol ESB 28|Empicol ESB|1014689-13-4|11121-04-3|113096-26-7|115284-60-1|116958-77-1|119764-46-4|124124-10-3|12627-22-4|12627-23-5|1269763-95-2|128835-50-7|1307693-64-6|131015-92-4|1335-73-5|134364-63-9|136752-27-7|1422159-09-8|1467719-83-0|150502-17-3|152157-39-6|156107-97-0|157481-33-9|1691242-43-9|170006-55-0|171544-36-8|181434-79-7|185461-11-4|199605-58-8|2131044-85-2|214976-60-0|216958-79-1|221041-96-9|2250420-04-1|236428-70-9|256225-57-7|263568-54-3|306291-75-8|32057-62-8|336794-32-2|37325-23-8|39390-84-6|39450-08-3|42504-27-8|507487-64-1|51059-21-3|53663-56-2|56572-89-5|57762-43-3|57762-59-1|577977-94-7|649569-38-0|66747-17-9|73651-68-0|74349-47-6|76724-02-2|865812-37-9|868601-22-3|923025-18-7|951330-36-2|95508-27-3|98112-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029298
ARPathway2016 ARPathway2016_1696 alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4 DTXSID2029298 0.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCCCCCOCCOS([O-])(=O)=O |lp:13:2,16:2,18:3,19:2,20:2,Sg:n:16,15,14::ht| alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|81-5B|Abex 18S|Actinol SL 3|Alkanate 3SL3|Alkasurf ES 60|alpha-Sulfo-omega-(dodecyloxy)-poly(oxy-1,2-ethanediyl)-, sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl)sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxyethylene), sel de sodium|Alscoap AP 30|Alscoap AT 370|Alscoap TAP 30|Avirol 100E|Beaulight NA 25S|Calfoam ES 30|Calfoam ES 302|Calfoam ES 603|Chemsalan RLM 70EO2|Conco Sulfate WE|Cycloryl NA|Cycloryl NA 2|Cycloryl NA 61CG|Disponil FE 32IS|Disponil FES 32|Disponil FES 32IS|Disponil FES 61|Disponil FES 77|Disponil FES 77IS|Disponil FES 92E|Disponil FES 993|Disponil FES 993IS|Dodecyl alcohol, monoether with polyethylene glycol, hydrogen sulfate sodium salt|Eicosaethylene glycol dodecyl ether sulfate sodium salt|Elfan NS 242|Elfan NS 243|Elfan NS 2436|Elfan NS 243S|Elfan NS 252S|Emal 20C-NP|Emal 20CMS-FE|Emal 270D/EG|Empicol 0251|Empicol 0342|Empicol 0405|Empicol ESA|Empicol ESA/A 2|Empicol ESB|Empicol ESB 28|Empicol ESB|1014689-13-4|11121-04-3|113096-26-7|115284-60-1|116958-77-1|119764-46-4|124124-10-3|12627-22-4|12627-23-5|1269763-95-2|128835-50-7|1307693-64-6|131015-92-4|1335-73-5|134364-63-9|136752-27-7|1422159-09-8|1467719-83-0|150502-17-3|152157-39-6|156107-97-0|157481-33-9|1691242-43-9|170006-55-0|171544-36-8|181434-79-7|185461-11-4|199605-58-8|2131044-85-2|214976-60-0|216958-79-1|221041-96-9|2250420-04-1|236428-70-9|256225-57-7|263568-54-3|306291-75-8|32057-62-8|336794-32-2|37325-23-8|39390-84-6|39450-08-3|42504-27-8|507487-64-1|51059-21-3|53663-56-2|56572-89-5|57762-43-3|57762-59-1|577977-94-7|649569-38-0|66747-17-9|73651-68-0|74349-47-6|76724-02-2|865812-37-9|868601-22-3|923025-18-7|951330-36-2|95508-27-3|98112-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029298
ERPathway2016 ERPathway2016_33 alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4 DTXSID2029298 ER Pathway Model, Agonist AC50 28.2421198323205 uM [Na+].CCCCCCCCCCCCOCCOS([O-])(=O)=O |lp:13:2,16:2,18:3,19:2,20:2,Sg:n:16,15,14::ht| alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|81-5B|Abex 18S|Actinol SL 3|Alkanate 3SL3|Alkasurf ES 60|alpha-Sulfo-omega-(dodecyloxy)-poly(oxy-1,2-ethanediyl)-, sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl)sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxyethylene), sel de sodium|Alscoap AP 30|Alscoap AT 370|Alscoap TAP 30|Avirol 100E|Beaulight NA 25S|Calfoam ES 30|Calfoam ES 302|Calfoam ES 603|Chemsalan RLM 70EO2|Conco Sulfate WE|Cycloryl NA|Cycloryl NA 2|Cycloryl NA 61CG|Disponil FE 32IS|Disponil FES 32|Disponil FES 32IS|Disponil FES 61|Disponil FES 77|Disponil FES 77IS|Disponil FES 92E|Disponil FES 993|Disponil FES 993IS|Dodecyl alcohol, monoether with polyethylene glycol, hydrogen sulfate sodium salt|Eicosaethylene glycol dodecyl ether sulfate sodium salt|Elfan NS 242|Elfan NS 243|Elfan NS 2436|Elfan NS 243S|Elfan NS 252S|Emal 20C-NP|Emal 20CMS-FE|Emal 270D/EG|Empicol 0251|Empicol 0342|Empicol 0405|Empicol ESA|Empicol ESA/A 2|Empicol ESB|Empicol ESB 28|Empicol ESB|1014689-13-4|11121-04-3|113096-26-7|115284-60-1|116958-77-1|119764-46-4|124124-10-3|12627-22-4|12627-23-5|1269763-95-2|128835-50-7|1307693-64-6|131015-92-4|1335-73-5|134364-63-9|136752-27-7|1422159-09-8|1467719-83-0|150502-17-3|152157-39-6|156107-97-0|157481-33-9|1691242-43-9|170006-55-0|171544-36-8|181434-79-7|185461-11-4|199605-58-8|2131044-85-2|214976-60-0|216958-79-1|221041-96-9|2250420-04-1|236428-70-9|256225-57-7|263568-54-3|306291-75-8|32057-62-8|336794-32-2|37325-23-8|39390-84-6|39450-08-3|42504-27-8|507487-64-1|51059-21-3|53663-56-2|56572-89-5|57762-43-3|57762-59-1|577977-94-7|649569-38-0|66747-17-9|73651-68-0|74349-47-6|76724-02-2|865812-37-9|868601-22-3|923025-18-7|951330-36-2|95508-27-3|98112-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029298
ERPathway2016 ERPathway2016_33 alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4 DTXSID2029298 ER Pathway Model, Agonist ACC 16.8999072263549 uM [Na+].CCCCCCCCCCCCOCCOS([O-])(=O)=O |lp:13:2,16:2,18:3,19:2,20:2,Sg:n:16,15,14::ht| alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|81-5B|Abex 18S|Actinol SL 3|Alkanate 3SL3|Alkasurf ES 60|alpha-Sulfo-omega-(dodecyloxy)-poly(oxy-1,2-ethanediyl)-, sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl)sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxyethylene), sel de sodium|Alscoap AP 30|Alscoap AT 370|Alscoap TAP 30|Avirol 100E|Beaulight NA 25S|Calfoam ES 30|Calfoam ES 302|Calfoam ES 603|Chemsalan RLM 70EO2|Conco Sulfate WE|Cycloryl NA|Cycloryl NA 2|Cycloryl NA 61CG|Disponil FE 32IS|Disponil FES 32|Disponil FES 32IS|Disponil FES 61|Disponil FES 77|Disponil FES 77IS|Disponil FES 92E|Disponil FES 993|Disponil FES 993IS|Dodecyl alcohol, monoether with polyethylene glycol, hydrogen sulfate sodium salt|Eicosaethylene glycol dodecyl ether sulfate sodium salt|Elfan NS 242|Elfan NS 243|Elfan NS 2436|Elfan NS 243S|Elfan NS 252S|Emal 20C-NP|Emal 20CMS-FE|Emal 270D/EG|Empicol 0251|Empicol 0342|Empicol 0405|Empicol ESA|Empicol ESA/A 2|Empicol ESB|Empicol ESB 28|Empicol ESB|1014689-13-4|11121-04-3|113096-26-7|115284-60-1|116958-77-1|119764-46-4|124124-10-3|12627-22-4|12627-23-5|1269763-95-2|128835-50-7|1307693-64-6|131015-92-4|1335-73-5|134364-63-9|136752-27-7|1422159-09-8|1467719-83-0|150502-17-3|152157-39-6|156107-97-0|157481-33-9|1691242-43-9|170006-55-0|171544-36-8|181434-79-7|185461-11-4|199605-58-8|2131044-85-2|214976-60-0|216958-79-1|221041-96-9|2250420-04-1|236428-70-9|256225-57-7|263568-54-3|306291-75-8|32057-62-8|336794-32-2|37325-23-8|39390-84-6|39450-08-3|42504-27-8|507487-64-1|51059-21-3|53663-56-2|56572-89-5|57762-43-3|57762-59-1|577977-94-7|649569-38-0|66747-17-9|73651-68-0|74349-47-6|76724-02-2|865812-37-9|868601-22-3|923025-18-7|951330-36-2|95508-27-3|98112-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029298
ERPathway2016 ERPathway2016_33 alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4 DTXSID2029298 ER Pathway Model, Agonist Model Score 0.00534 Unitless [Na+].CCCCCCCCCCCCOCCOS([O-])(=O)=O |lp:13:2,16:2,18:3,19:2,20:2,Sg:n:16,15,14::ht| alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|81-5B|Abex 18S|Actinol SL 3|Alkanate 3SL3|Alkasurf ES 60|alpha-Sulfo-omega-(dodecyloxy)-poly(oxy-1,2-ethanediyl)-, sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl)sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxyethylene), sel de sodium|Alscoap AP 30|Alscoap AT 370|Alscoap TAP 30|Avirol 100E|Beaulight NA 25S|Calfoam ES 30|Calfoam ES 302|Calfoam ES 603|Chemsalan RLM 70EO2|Conco Sulfate WE|Cycloryl NA|Cycloryl NA 2|Cycloryl NA 61CG|Disponil FE 32IS|Disponil FES 32|Disponil FES 32IS|Disponil FES 61|Disponil FES 77|Disponil FES 77IS|Disponil FES 92E|Disponil FES 993|Disponil FES 993IS|Dodecyl alcohol, monoether with polyethylene glycol, hydrogen sulfate sodium salt|Eicosaethylene glycol dodecyl ether sulfate sodium salt|Elfan NS 242|Elfan NS 243|Elfan NS 2436|Elfan NS 243S|Elfan NS 252S|Emal 20C-NP|Emal 20CMS-FE|Emal 270D/EG|Empicol 0251|Empicol 0342|Empicol 0405|Empicol ESA|Empicol ESA/A 2|Empicol ESB|Empicol ESB 28|Empicol ESB|1014689-13-4|11121-04-3|113096-26-7|115284-60-1|116958-77-1|119764-46-4|124124-10-3|12627-22-4|12627-23-5|1269763-95-2|128835-50-7|1307693-64-6|131015-92-4|1335-73-5|134364-63-9|136752-27-7|1422159-09-8|1467719-83-0|150502-17-3|152157-39-6|156107-97-0|157481-33-9|1691242-43-9|170006-55-0|171544-36-8|181434-79-7|185461-11-4|199605-58-8|2131044-85-2|214976-60-0|216958-79-1|221041-96-9|2250420-04-1|236428-70-9|256225-57-7|263568-54-3|306291-75-8|32057-62-8|336794-32-2|37325-23-8|39390-84-6|39450-08-3|42504-27-8|507487-64-1|51059-21-3|53663-56-2|56572-89-5|57762-43-3|57762-59-1|577977-94-7|649569-38-0|66747-17-9|73651-68-0|74349-47-6|76724-02-2|865812-37-9|868601-22-3|923025-18-7|951330-36-2|95508-27-3|98112-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029298
ERPathway2016 ERPathway2016_33 alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4 DTXSID2029298 ER Pathway Model, Antagonist Model Score 0.0892 Unitless [Na+].CCCCCCCCCCCCOCCOS([O-])(=O)=O |lp:13:2,16:2,18:3,19:2,20:2,Sg:n:16,15,14::ht| alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|81-5B|Abex 18S|Actinol SL 3|Alkanate 3SL3|Alkasurf ES 60|alpha-Sulfo-omega-(dodecyloxy)-poly(oxy-1,2-ethanediyl)-, sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl)sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxyethylene), sel de sodium|Alscoap AP 30|Alscoap AT 370|Alscoap TAP 30|Avirol 100E|Beaulight NA 25S|Calfoam ES 30|Calfoam ES 302|Calfoam ES 603|Chemsalan RLM 70EO2|Conco Sulfate WE|Cycloryl NA|Cycloryl NA 2|Cycloryl NA 61CG|Disponil FE 32IS|Disponil FES 32|Disponil FES 32IS|Disponil FES 61|Disponil FES 77|Disponil FES 77IS|Disponil FES 92E|Disponil FES 993|Disponil FES 993IS|Dodecyl alcohol, monoether with polyethylene glycol, hydrogen sulfate sodium salt|Eicosaethylene glycol dodecyl ether sulfate sodium salt|Elfan NS 242|Elfan NS 243|Elfan NS 2436|Elfan NS 243S|Elfan NS 252S|Emal 20C-NP|Emal 20CMS-FE|Emal 270D/EG|Empicol 0251|Empicol 0342|Empicol 0405|Empicol ESA|Empicol ESA/A 2|Empicol ESB|Empicol ESB 28|Empicol ESB|1014689-13-4|11121-04-3|113096-26-7|115284-60-1|116958-77-1|119764-46-4|124124-10-3|12627-22-4|12627-23-5|1269763-95-2|128835-50-7|1307693-64-6|131015-92-4|1335-73-5|134364-63-9|136752-27-7|1422159-09-8|1467719-83-0|150502-17-3|152157-39-6|156107-97-0|157481-33-9|1691242-43-9|170006-55-0|171544-36-8|181434-79-7|185461-11-4|199605-58-8|2131044-85-2|214976-60-0|216958-79-1|221041-96-9|2250420-04-1|236428-70-9|256225-57-7|263568-54-3|306291-75-8|32057-62-8|336794-32-2|37325-23-8|39390-84-6|39450-08-3|42504-27-8|507487-64-1|51059-21-3|53663-56-2|56572-89-5|57762-43-3|57762-59-1|577977-94-7|649569-38-0|66747-17-9|73651-68-0|74349-47-6|76724-02-2|865812-37-9|868601-22-3|923025-18-7|951330-36-2|95508-27-3|98112-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029298
ERPathway2016 ERPathway2016_33 alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4 DTXSID2029298 ER Pathway Model, Agonist Call Active Unitless [Na+].CCCCCCCCCCCCOCCOS([O-])(=O)=O |lp:13:2,16:2,18:3,19:2,20:2,Sg:n:16,15,14::ht| alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|81-5B|Abex 18S|Actinol SL 3|Alkanate 3SL3|Alkasurf ES 60|alpha-Sulfo-omega-(dodecyloxy)-poly(oxy-1,2-ethanediyl)-, sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl)sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxyethylene), sel de sodium|Alscoap AP 30|Alscoap AT 370|Alscoap TAP 30|Avirol 100E|Beaulight NA 25S|Calfoam ES 30|Calfoam ES 302|Calfoam ES 603|Chemsalan RLM 70EO2|Conco Sulfate WE|Cycloryl NA|Cycloryl NA 2|Cycloryl NA 61CG|Disponil FE 32IS|Disponil FES 32|Disponil FES 32IS|Disponil FES 61|Disponil FES 77|Disponil FES 77IS|Disponil FES 92E|Disponil FES 993|Disponil FES 993IS|Dodecyl alcohol, monoether with polyethylene glycol, hydrogen sulfate sodium salt|Eicosaethylene glycol dodecyl ether sulfate sodium salt|Elfan NS 242|Elfan NS 243|Elfan NS 2436|Elfan NS 243S|Elfan NS 252S|Emal 20C-NP|Emal 20CMS-FE|Emal 270D/EG|Empicol 0251|Empicol 0342|Empicol 0405|Empicol ESA|Empicol ESA/A 2|Empicol ESB|Empicol ESB 28|Empicol ESB|1014689-13-4|11121-04-3|113096-26-7|115284-60-1|116958-77-1|119764-46-4|124124-10-3|12627-22-4|12627-23-5|1269763-95-2|128835-50-7|1307693-64-6|131015-92-4|1335-73-5|134364-63-9|136752-27-7|1422159-09-8|1467719-83-0|150502-17-3|152157-39-6|156107-97-0|157481-33-9|1691242-43-9|170006-55-0|171544-36-8|181434-79-7|185461-11-4|199605-58-8|2131044-85-2|214976-60-0|216958-79-1|221041-96-9|2250420-04-1|236428-70-9|256225-57-7|263568-54-3|306291-75-8|32057-62-8|336794-32-2|37325-23-8|39390-84-6|39450-08-3|42504-27-8|507487-64-1|51059-21-3|53663-56-2|56572-89-5|57762-43-3|57762-59-1|577977-94-7|649569-38-0|66747-17-9|73651-68-0|74349-47-6|76724-02-2|865812-37-9|868601-22-3|923025-18-7|951330-36-2|95508-27-3|98112-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029298
ERPathway2016 ERPathway2016_33 alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4 DTXSID2029298 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCCCCCOCCOS([O-])(=O)=O |lp:13:2,16:2,18:3,19:2,20:2,Sg:n:16,15,14::ht| alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt 9004-82-4|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|81-5B|Abex 18S|Actinol SL 3|Alkanate 3SL3|Alkasurf ES 60|alpha-Sulfo-omega-(dodecyloxy)-poly(oxy-1,2-ethanediyl)-, sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl) sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxy-1,2-ethanediyl)sodium salt|alpha-Sulfo-omega-(dodecyloxy)poly(oxyethylene), sel de sodium|Alscoap AP 30|Alscoap AT 370|Alscoap TAP 30|Avirol 100E|Beaulight NA 25S|Calfoam ES 30|Calfoam ES 302|Calfoam ES 603|Chemsalan RLM 70EO2|Conco Sulfate WE|Cycloryl NA|Cycloryl NA 2|Cycloryl NA 61CG|Disponil FE 32IS|Disponil FES 32|Disponil FES 32IS|Disponil FES 61|Disponil FES 77|Disponil FES 77IS|Disponil FES 92E|Disponil FES 993|Disponil FES 993IS|Dodecyl alcohol, monoether with polyethylene glycol, hydrogen sulfate sodium salt|Eicosaethylene glycol dodecyl ether sulfate sodium salt|Elfan NS 242|Elfan NS 243|Elfan NS 2436|Elfan NS 243S|Elfan NS 252S|Emal 20C-NP|Emal 20CMS-FE|Emal 270D/EG|Empicol 0251|Empicol 0342|Empicol 0405|Empicol ESA|Empicol ESA/A 2|Empicol ESB|Empicol ESB 28|Empicol ESB|1014689-13-4|11121-04-3|113096-26-7|115284-60-1|116958-77-1|119764-46-4|124124-10-3|12627-22-4|12627-23-5|1269763-95-2|128835-50-7|1307693-64-6|131015-92-4|1335-73-5|134364-63-9|136752-27-7|1422159-09-8|1467719-83-0|150502-17-3|152157-39-6|156107-97-0|157481-33-9|1691242-43-9|170006-55-0|171544-36-8|181434-79-7|185461-11-4|199605-58-8|2131044-85-2|214976-60-0|216958-79-1|221041-96-9|2250420-04-1|236428-70-9|256225-57-7|263568-54-3|306291-75-8|32057-62-8|336794-32-2|37325-23-8|39390-84-6|39450-08-3|42504-27-8|507487-64-1|51059-21-3|53663-56-2|56572-89-5|57762-43-3|57762-59-1|577977-94-7|649569-38-0|66747-17-9|73651-68-0|74349-47-6|76724-02-2|865812-37-9|868601-22-3|923025-18-7|951330-36-2|95508-27-3|98112-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029298
ARPathway2016 ARPathway2016_1825 alpha-Terpinene 99-86-5 DTXSID9041237 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC=C(C)CC1 alpha-Terpinene 99-86-5|alpha-Terpinene|1-Isopropyl-4-methyl-1,3-cyclohexadiene|1-Isopropyl-4-methyl-cyclohexa-1,3-diene|1-Isopropyl-4-methylcyclohexa-1,3-diene|1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene|1-Methyl-4-(propan-2-yl)cyclohexa-1,3-diene|1-Methyl-4-isopropyl-1,3-cyclohexadiene|1-Methyl-4-isopropylcyclohexadiene-1,3|1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|1,3-Cyclohexadiene, 1-methyl-4-isopropyl-|4-Isopropyl-1-methyl-1,3-cyclohexadiene|a-Terpinene|alpha -Terpinene|alpha-Terpinen|alpha-Terpinene|CYCLOHEXA-1,3-DIENE, 1-METHYL-4-(1-METHYLETHYL)-|EINECS 202-795-1|FEMA 3558|FEMA No. 3558|p-menta-1,3-dieno|p-Mentha-1,3-dien|p-mentha-1,3-diene|Terpilene|UNII-I24X278AP1|a-Terpinen|a-TERPINENE https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041237
ARPathway2016 ARPathway2016_1825 alpha-Terpinene 99-86-5 DTXSID9041237 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CC=C(C)CC1 alpha-Terpinene 99-86-5|alpha-Terpinene|1-Isopropyl-4-methyl-1,3-cyclohexadiene|1-Isopropyl-4-methyl-cyclohexa-1,3-diene|1-Isopropyl-4-methylcyclohexa-1,3-diene|1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene|1-Methyl-4-(propan-2-yl)cyclohexa-1,3-diene|1-Methyl-4-isopropyl-1,3-cyclohexadiene|1-Methyl-4-isopropylcyclohexadiene-1,3|1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|1,3-Cyclohexadiene, 1-methyl-4-isopropyl-|4-Isopropyl-1-methyl-1,3-cyclohexadiene|a-Terpinene|alpha -Terpinene|alpha-Terpinen|alpha-Terpinene|CYCLOHEXA-1,3-DIENE, 1-METHYL-4-(1-METHYLETHYL)-|EINECS 202-795-1|FEMA 3558|FEMA No. 3558|p-menta-1,3-dieno|p-Mentha-1,3-dien|p-mentha-1,3-diene|Terpilene|UNII-I24X278AP1|a-Terpinen|a-TERPINENE https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041237
ARPathway2016 ARPathway2016_1825 alpha-Terpinene 99-86-5 DTXSID9041237 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC=C(C)CC1 alpha-Terpinene 99-86-5|alpha-Terpinene|1-Isopropyl-4-methyl-1,3-cyclohexadiene|1-Isopropyl-4-methyl-cyclohexa-1,3-diene|1-Isopropyl-4-methylcyclohexa-1,3-diene|1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene|1-Methyl-4-(propan-2-yl)cyclohexa-1,3-diene|1-Methyl-4-isopropyl-1,3-cyclohexadiene|1-Methyl-4-isopropylcyclohexadiene-1,3|1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|1,3-Cyclohexadiene, 1-methyl-4-isopropyl-|4-Isopropyl-1-methyl-1,3-cyclohexadiene|a-Terpinene|alpha -Terpinene|alpha-Terpinen|alpha-Terpinene|CYCLOHEXA-1,3-DIENE, 1-METHYL-4-(1-METHYLETHYL)-|EINECS 202-795-1|FEMA 3558|FEMA No. 3558|p-menta-1,3-dieno|p-Mentha-1,3-dien|p-mentha-1,3-diene|Terpilene|UNII-I24X278AP1|a-Terpinen|a-TERPINENE https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041237
ARPathway2016 ARPathway2016_1825 alpha-Terpinene 99-86-5 DTXSID9041237 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC=C(C)CC1 alpha-Terpinene 99-86-5|alpha-Terpinene|1-Isopropyl-4-methyl-1,3-cyclohexadiene|1-Isopropyl-4-methyl-cyclohexa-1,3-diene|1-Isopropyl-4-methylcyclohexa-1,3-diene|1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene|1-Methyl-4-(propan-2-yl)cyclohexa-1,3-diene|1-Methyl-4-isopropyl-1,3-cyclohexadiene|1-Methyl-4-isopropylcyclohexadiene-1,3|1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|1,3-Cyclohexadiene, 1-methyl-4-isopropyl-|4-Isopropyl-1-methyl-1,3-cyclohexadiene|a-Terpinene|alpha -Terpinene|alpha-Terpinen|alpha-Terpinene|CYCLOHEXA-1,3-DIENE, 1-METHYL-4-(1-METHYLETHYL)-|EINECS 202-795-1|FEMA 3558|FEMA No. 3558|p-menta-1,3-dieno|p-Mentha-1,3-dien|p-mentha-1,3-diene|Terpilene|UNII-I24X278AP1|a-Terpinen|a-TERPINENE https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041237
ERPathway2016 ERPathway2016_13 alpha-Terpinene 99-86-5 DTXSID9041237 ER Pathway Model, Agonist AC50 30.9705788090365 uM CC(C)C1=CC=C(C)CC1 alpha-Terpinene 99-86-5|alpha-Terpinene|1-Isopropyl-4-methyl-1,3-cyclohexadiene|1-Isopropyl-4-methyl-cyclohexa-1,3-diene|1-Isopropyl-4-methylcyclohexa-1,3-diene|1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene|1-Methyl-4-(propan-2-yl)cyclohexa-1,3-diene|1-Methyl-4-isopropyl-1,3-cyclohexadiene|1-Methyl-4-isopropylcyclohexadiene-1,3|1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|1,3-Cyclohexadiene, 1-methyl-4-isopropyl-|4-Isopropyl-1-methyl-1,3-cyclohexadiene|a-Terpinene|alpha -Terpinene|alpha-Terpinen|alpha-Terpinene|CYCLOHEXA-1,3-DIENE, 1-METHYL-4-(1-METHYLETHYL)-|EINECS 202-795-1|FEMA 3558|FEMA No. 3558|p-menta-1,3-dieno|p-Mentha-1,3-dien|p-mentha-1,3-diene|Terpilene|UNII-I24X278AP1|a-Terpinen|a-TERPINENE https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041237
ERPathway2016 ERPathway2016_13 alpha-Terpinene 99-86-5 DTXSID9041237 ER Pathway Model, Agonist ACC 20.0419300867101 uM CC(C)C1=CC=C(C)CC1 alpha-Terpinene 99-86-5|alpha-Terpinene|1-Isopropyl-4-methyl-1,3-cyclohexadiene|1-Isopropyl-4-methyl-cyclohexa-1,3-diene|1-Isopropyl-4-methylcyclohexa-1,3-diene|1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene|1-Methyl-4-(propan-2-yl)cyclohexa-1,3-diene|1-Methyl-4-isopropyl-1,3-cyclohexadiene|1-Methyl-4-isopropylcyclohexadiene-1,3|1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|1,3-Cyclohexadiene, 1-methyl-4-isopropyl-|4-Isopropyl-1-methyl-1,3-cyclohexadiene|a-Terpinene|alpha -Terpinene|alpha-Terpinen|alpha-Terpinene|CYCLOHEXA-1,3-DIENE, 1-METHYL-4-(1-METHYLETHYL)-|EINECS 202-795-1|FEMA 3558|FEMA No. 3558|p-menta-1,3-dieno|p-Mentha-1,3-dien|p-mentha-1,3-diene|Terpilene|UNII-I24X278AP1|a-Terpinen|a-TERPINENE https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041237
ERPathway2016 ERPathway2016_13 alpha-Terpinene 99-86-5 DTXSID9041237 ER Pathway Model, Agonist Model Score 0.0161 Unitless CC(C)C1=CC=C(C)CC1 alpha-Terpinene 99-86-5|alpha-Terpinene|1-Isopropyl-4-methyl-1,3-cyclohexadiene|1-Isopropyl-4-methyl-cyclohexa-1,3-diene|1-Isopropyl-4-methylcyclohexa-1,3-diene|1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene|1-Methyl-4-(propan-2-yl)cyclohexa-1,3-diene|1-Methyl-4-isopropyl-1,3-cyclohexadiene|1-Methyl-4-isopropylcyclohexadiene-1,3|1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|1,3-Cyclohexadiene, 1-methyl-4-isopropyl-|4-Isopropyl-1-methyl-1,3-cyclohexadiene|a-Terpinene|alpha -Terpinene|alpha-Terpinen|alpha-Terpinene|CYCLOHEXA-1,3-DIENE, 1-METHYL-4-(1-METHYLETHYL)-|EINECS 202-795-1|FEMA 3558|FEMA No. 3558|p-menta-1,3-dieno|p-Mentha-1,3-dien|p-mentha-1,3-diene|Terpilene|UNII-I24X278AP1|a-Terpinen|a-TERPINENE https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041237
ERPathway2016 ERPathway2016_13 alpha-Terpinene 99-86-5 DTXSID9041237 ER Pathway Model, Antagonist Model Score 0.0482 Unitless CC(C)C1=CC=C(C)CC1 alpha-Terpinene 99-86-5|alpha-Terpinene|1-Isopropyl-4-methyl-1,3-cyclohexadiene|1-Isopropyl-4-methyl-cyclohexa-1,3-diene|1-Isopropyl-4-methylcyclohexa-1,3-diene|1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene|1-Methyl-4-(propan-2-yl)cyclohexa-1,3-diene|1-Methyl-4-isopropyl-1,3-cyclohexadiene|1-Methyl-4-isopropylcyclohexadiene-1,3|1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|1,3-Cyclohexadiene, 1-methyl-4-isopropyl-|4-Isopropyl-1-methyl-1,3-cyclohexadiene|a-Terpinene|alpha -Terpinene|alpha-Terpinen|alpha-Terpinene|CYCLOHEXA-1,3-DIENE, 1-METHYL-4-(1-METHYLETHYL)-|EINECS 202-795-1|FEMA 3558|FEMA No. 3558|p-menta-1,3-dieno|p-Mentha-1,3-dien|p-mentha-1,3-diene|Terpilene|UNII-I24X278AP1|a-Terpinen|a-TERPINENE https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041237
ERPathway2016 ERPathway2016_13 alpha-Terpinene 99-86-5 DTXSID9041237 ER Pathway Model, Agonist Call Active Unitless CC(C)C1=CC=C(C)CC1 alpha-Terpinene 99-86-5|alpha-Terpinene|1-Isopropyl-4-methyl-1,3-cyclohexadiene|1-Isopropyl-4-methyl-cyclohexa-1,3-diene|1-Isopropyl-4-methylcyclohexa-1,3-diene|1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene|1-Methyl-4-(propan-2-yl)cyclohexa-1,3-diene|1-Methyl-4-isopropyl-1,3-cyclohexadiene|1-Methyl-4-isopropylcyclohexadiene-1,3|1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|1,3-Cyclohexadiene, 1-methyl-4-isopropyl-|4-Isopropyl-1-methyl-1,3-cyclohexadiene|a-Terpinene|alpha -Terpinene|alpha-Terpinen|alpha-Terpinene|CYCLOHEXA-1,3-DIENE, 1-METHYL-4-(1-METHYLETHYL)-|EINECS 202-795-1|FEMA 3558|FEMA No. 3558|p-menta-1,3-dieno|p-Mentha-1,3-dien|p-mentha-1,3-diene|Terpilene|UNII-I24X278AP1|a-Terpinen|a-TERPINENE https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041237
ERPathway2016 ERPathway2016_13 alpha-Terpinene 99-86-5 DTXSID9041237 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC=C(C)CC1 alpha-Terpinene 99-86-5|alpha-Terpinene|1-Isopropyl-4-methyl-1,3-cyclohexadiene|1-Isopropyl-4-methyl-cyclohexa-1,3-diene|1-Isopropyl-4-methylcyclohexa-1,3-diene|1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene|1-Methyl-4-(propan-2-yl)cyclohexa-1,3-diene|1-Methyl-4-isopropyl-1,3-cyclohexadiene|1-Methyl-4-isopropylcyclohexadiene-1,3|1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|1,3-Cyclohexadiene, 1-methyl-4-isopropyl-|4-Isopropyl-1-methyl-1,3-cyclohexadiene|a-Terpinene|alpha -Terpinene|alpha-Terpinen|alpha-Terpinene|CYCLOHEXA-1,3-DIENE, 1-METHYL-4-(1-METHYLETHYL)-|EINECS 202-795-1|FEMA 3558|FEMA No. 3558|p-menta-1,3-dieno|p-Mentha-1,3-dien|p-mentha-1,3-diene|Terpilene|UNII-I24X278AP1|a-Terpinen|a-TERPINENE https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041237
ARPathway2016 ARPathway2016_1602 alpha-Terpinyl acetate 80-26-2 DTXSID2026496 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OC(C)(C)C1CCC(C)=CC1 alpha-Terpinyl acetate 80-26-2|alpha-Terpinyl acetate|(.+-.)-a-Terpineol acetate|(.+-.)-a-Terpinyl acetate|2-(4-Methyl-3-cyclohexen-1-yl)-2-propyl acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate|3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, acetate|4-06-00-00253|a-Terpineol acetate|Acetate de p-menth-1-en-8-yle|acetate de p-menth-1-ene-8-yle|ACETATE, a, a, 4-TRIMETHYL-CYCLOHEX-3-ENE-1-METHYL|acetato de p-ment-1-en-8-ilo|alpha-Terpineol, acetate|alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl acetate|BRN 3198769|EINECS 201-265-7|EINECS 234-183-5|FEMA 3047|FEMA No. 3047|p-Menth-1-en-8-ol, acetate|p-menth-1-en-8-yl acetate|p-Menth-1-en-8-ylacetat|TERPINYL ACETATE|UNII-9RXE0I9F2J|a-Terpineol acetate|a-Terpinyl acetate|a,a,4-trimethyl-3-cyclohexene-1-methanol acetate|104806-93-1|10581-37-0|21090-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026496
ARPathway2016 ARPathway2016_1602 alpha-Terpinyl acetate 80-26-2 DTXSID2026496 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)OC(C)(C)C1CCC(C)=CC1 alpha-Terpinyl acetate 80-26-2|alpha-Terpinyl acetate|(.+-.)-a-Terpineol acetate|(.+-.)-a-Terpinyl acetate|2-(4-Methyl-3-cyclohexen-1-yl)-2-propyl acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate|3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, acetate|4-06-00-00253|a-Terpineol acetate|Acetate de p-menth-1-en-8-yle|acetate de p-menth-1-ene-8-yle|ACETATE, a, a, 4-TRIMETHYL-CYCLOHEX-3-ENE-1-METHYL|acetato de p-ment-1-en-8-ilo|alpha-Terpineol, acetate|alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl acetate|BRN 3198769|EINECS 201-265-7|EINECS 234-183-5|FEMA 3047|FEMA No. 3047|p-Menth-1-en-8-ol, acetate|p-menth-1-en-8-yl acetate|p-Menth-1-en-8-ylacetat|TERPINYL ACETATE|UNII-9RXE0I9F2J|a-Terpineol acetate|a-Terpinyl acetate|a,a,4-trimethyl-3-cyclohexene-1-methanol acetate|104806-93-1|10581-37-0|21090-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026496
ARPathway2016 ARPathway2016_1602 alpha-Terpinyl acetate 80-26-2 DTXSID2026496 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)OC(C)(C)C1CCC(C)=CC1 alpha-Terpinyl acetate 80-26-2|alpha-Terpinyl acetate|(.+-.)-a-Terpineol acetate|(.+-.)-a-Terpinyl acetate|2-(4-Methyl-3-cyclohexen-1-yl)-2-propyl acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate|3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, acetate|4-06-00-00253|a-Terpineol acetate|Acetate de p-menth-1-en-8-yle|acetate de p-menth-1-ene-8-yle|ACETATE, a, a, 4-TRIMETHYL-CYCLOHEX-3-ENE-1-METHYL|acetato de p-ment-1-en-8-ilo|alpha-Terpineol, acetate|alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl acetate|BRN 3198769|EINECS 201-265-7|EINECS 234-183-5|FEMA 3047|FEMA No. 3047|p-Menth-1-en-8-ol, acetate|p-menth-1-en-8-yl acetate|p-Menth-1-en-8-ylacetat|TERPINYL ACETATE|UNII-9RXE0I9F2J|a-Terpineol acetate|a-Terpinyl acetate|a,a,4-trimethyl-3-cyclohexene-1-methanol acetate|104806-93-1|10581-37-0|21090-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026496
ARPathway2016 ARPathway2016_1602 alpha-Terpinyl acetate 80-26-2 DTXSID2026496 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)OC(C)(C)C1CCC(C)=CC1 alpha-Terpinyl acetate 80-26-2|alpha-Terpinyl acetate|(.+-.)-a-Terpineol acetate|(.+-.)-a-Terpinyl acetate|2-(4-Methyl-3-cyclohexen-1-yl)-2-propyl acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate|3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, acetate|4-06-00-00253|a-Terpineol acetate|Acetate de p-menth-1-en-8-yle|acetate de p-menth-1-ene-8-yle|ACETATE, a, a, 4-TRIMETHYL-CYCLOHEX-3-ENE-1-METHYL|acetato de p-ment-1-en-8-ilo|alpha-Terpineol, acetate|alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl acetate|BRN 3198769|EINECS 201-265-7|EINECS 234-183-5|FEMA 3047|FEMA No. 3047|p-Menth-1-en-8-ol, acetate|p-menth-1-en-8-yl acetate|p-Menth-1-en-8-ylacetat|TERPINYL ACETATE|UNII-9RXE0I9F2J|a-Terpineol acetate|a-Terpinyl acetate|a,a,4-trimethyl-3-cyclohexene-1-methanol acetate|104806-93-1|10581-37-0|21090-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026496
ERPathway2016 ERPathway2016_398 alpha-Terpinyl acetate 80-26-2 DTXSID2026496 ER Pathway Model, Antagonist AC50 66.5704213953948 uM CC(=O)OC(C)(C)C1CCC(C)=CC1 alpha-Terpinyl acetate 80-26-2|alpha-Terpinyl acetate|(.+-.)-a-Terpineol acetate|(.+-.)-a-Terpinyl acetate|2-(4-Methyl-3-cyclohexen-1-yl)-2-propyl acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate|3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, acetate|4-06-00-00253|a-Terpineol acetate|Acetate de p-menth-1-en-8-yle|acetate de p-menth-1-ene-8-yle|ACETATE, a, a, 4-TRIMETHYL-CYCLOHEX-3-ENE-1-METHYL|acetato de p-ment-1-en-8-ilo|alpha-Terpineol, acetate|alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl acetate|BRN 3198769|EINECS 201-265-7|EINECS 234-183-5|FEMA 3047|FEMA No. 3047|p-Menth-1-en-8-ol, acetate|p-menth-1-en-8-yl acetate|p-Menth-1-en-8-ylacetat|TERPINYL ACETATE|UNII-9RXE0I9F2J|a-Terpineol acetate|a-Terpinyl acetate|a,a,4-trimethyl-3-cyclohexene-1-methanol acetate|104806-93-1|10581-37-0|21090-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026496
ERPathway2016 ERPathway2016_398 alpha-Terpinyl acetate 80-26-2 DTXSID2026496 ER Pathway Model, Antagonist ACC 57.4984154765791 uM CC(=O)OC(C)(C)C1CCC(C)=CC1 alpha-Terpinyl acetate 80-26-2|alpha-Terpinyl acetate|(.+-.)-a-Terpineol acetate|(.+-.)-a-Terpinyl acetate|2-(4-Methyl-3-cyclohexen-1-yl)-2-propyl acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate|3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, acetate|4-06-00-00253|a-Terpineol acetate|Acetate de p-menth-1-en-8-yle|acetate de p-menth-1-ene-8-yle|ACETATE, a, a, 4-TRIMETHYL-CYCLOHEX-3-ENE-1-METHYL|acetato de p-ment-1-en-8-ilo|alpha-Terpineol, acetate|alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl acetate|BRN 3198769|EINECS 201-265-7|EINECS 234-183-5|FEMA 3047|FEMA No. 3047|p-Menth-1-en-8-ol, acetate|p-menth-1-en-8-yl acetate|p-Menth-1-en-8-ylacetat|TERPINYL ACETATE|UNII-9RXE0I9F2J|a-Terpineol acetate|a-Terpinyl acetate|a,a,4-trimethyl-3-cyclohexene-1-methanol acetate|104806-93-1|10581-37-0|21090-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026496
ERPathway2016 ERPathway2016_398 alpha-Terpinyl acetate 80-26-2 DTXSID2026496 ER Pathway Model, Agonist Model Score 0.00943 Unitless CC(=O)OC(C)(C)C1CCC(C)=CC1 alpha-Terpinyl acetate 80-26-2|alpha-Terpinyl acetate|(.+-.)-a-Terpineol acetate|(.+-.)-a-Terpinyl acetate|2-(4-Methyl-3-cyclohexen-1-yl)-2-propyl acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate|3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, acetate|4-06-00-00253|a-Terpineol acetate|Acetate de p-menth-1-en-8-yle|acetate de p-menth-1-ene-8-yle|ACETATE, a, a, 4-TRIMETHYL-CYCLOHEX-3-ENE-1-METHYL|acetato de p-ment-1-en-8-ilo|alpha-Terpineol, acetate|alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl acetate|BRN 3198769|EINECS 201-265-7|EINECS 234-183-5|FEMA 3047|FEMA No. 3047|p-Menth-1-en-8-ol, acetate|p-menth-1-en-8-yl acetate|p-Menth-1-en-8-ylacetat|TERPINYL ACETATE|UNII-9RXE0I9F2J|a-Terpineol acetate|a-Terpinyl acetate|a,a,4-trimethyl-3-cyclohexene-1-methanol acetate|104806-93-1|10581-37-0|21090-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026496
ERPathway2016 ERPathway2016_398 alpha-Terpinyl acetate 80-26-2 DTXSID2026496 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OC(C)(C)C1CCC(C)=CC1 alpha-Terpinyl acetate 80-26-2|alpha-Terpinyl acetate|(.+-.)-a-Terpineol acetate|(.+-.)-a-Terpinyl acetate|2-(4-Methyl-3-cyclohexen-1-yl)-2-propyl acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate|3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, acetate|4-06-00-00253|a-Terpineol acetate|Acetate de p-menth-1-en-8-yle|acetate de p-menth-1-ene-8-yle|ACETATE, a, a, 4-TRIMETHYL-CYCLOHEX-3-ENE-1-METHYL|acetato de p-ment-1-en-8-ilo|alpha-Terpineol, acetate|alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl acetate|BRN 3198769|EINECS 201-265-7|EINECS 234-183-5|FEMA 3047|FEMA No. 3047|p-Menth-1-en-8-ol, acetate|p-menth-1-en-8-yl acetate|p-Menth-1-en-8-ylacetat|TERPINYL ACETATE|UNII-9RXE0I9F2J|a-Terpineol acetate|a-Terpinyl acetate|a,a,4-trimethyl-3-cyclohexene-1-methanol acetate|104806-93-1|10581-37-0|21090-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026496
ERPathway2016 ERPathway2016_398 alpha-Terpinyl acetate 80-26-2 DTXSID2026496 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)OC(C)(C)C1CCC(C)=CC1 alpha-Terpinyl acetate 80-26-2|alpha-Terpinyl acetate|(.+-.)-a-Terpineol acetate|(.+-.)-a-Terpinyl acetate|2-(4-Methyl-3-cyclohexen-1-yl)-2-propyl acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate|3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, acetate|4-06-00-00253|a-Terpineol acetate|Acetate de p-menth-1-en-8-yle|acetate de p-menth-1-ene-8-yle|ACETATE, a, a, 4-TRIMETHYL-CYCLOHEX-3-ENE-1-METHYL|acetato de p-ment-1-en-8-ilo|alpha-Terpineol, acetate|alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl acetate|BRN 3198769|EINECS 201-265-7|EINECS 234-183-5|FEMA 3047|FEMA No. 3047|p-Menth-1-en-8-ol, acetate|p-menth-1-en-8-yl acetate|p-Menth-1-en-8-ylacetat|TERPINYL ACETATE|UNII-9RXE0I9F2J|a-Terpineol acetate|a-Terpinyl acetate|a,a,4-trimethyl-3-cyclohexene-1-methanol acetate|104806-93-1|10581-37-0|21090-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026496
ERPathway2016 ERPathway2016_398 alpha-Terpinyl acetate 80-26-2 DTXSID2026496 ER Pathway Model, Antagonist Call Active Unitless CC(=O)OC(C)(C)C1CCC(C)=CC1 alpha-Terpinyl acetate 80-26-2|alpha-Terpinyl acetate|(.+-.)-a-Terpineol acetate|(.+-.)-a-Terpinyl acetate|2-(4-Methyl-3-cyclohexen-1-yl)-2-propyl acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate|3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, 1-acetate|3-Cyclohexene-1-methanol, a,a,4-trimethyl-, acetate|4-06-00-00253|a-Terpineol acetate|Acetate de p-menth-1-en-8-yle|acetate de p-menth-1-ene-8-yle|ACETATE, a, a, 4-TRIMETHYL-CYCLOHEX-3-ENE-1-METHYL|acetato de p-ment-1-en-8-ilo|alpha-Terpineol, acetate|alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl acetate|BRN 3198769|EINECS 201-265-7|EINECS 234-183-5|FEMA 3047|FEMA No. 3047|p-Menth-1-en-8-ol, acetate|p-menth-1-en-8-yl acetate|p-Menth-1-en-8-ylacetat|TERPINYL ACETATE|UNII-9RXE0I9F2J|a-Terpineol acetate|a-Terpinyl acetate|a,a,4-trimethyl-3-cyclohexene-1-methanol acetate|104806-93-1|10581-37-0|21090-64-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026496
ARPathway2016 ARPathway2016_1632 Ametryn 834-12-8 DTXSID1023869 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCNC1=NC(SC)=NC(NC(C)C)=N1 Ametryn 834-12-8|Ametryn|1,3,5-Triazine-2,4-diamine, N-ethyl-N'-(1-methylethyl)-6-(methylthio)-|1,3,5-Triazine-2,4-diamine, N2-ethyl-N4-(1-methylethyl)-6-(methylthio)-|2-(methylthio)-4-(ethylamino)-6-(isopropylamino)-s-triazine|2-Ethylamino-4-isopropylamino-6-methylmercapto-s-triazine|2-Ethylamino-4-isopropylamino-6-methylthio-1,3,5-triazine|2-Ethylamino-4-isopropylamino-6-methylthio-s-triazine|2-Ethylamino-4-methylthio-6-isopropylamino-1,3,5-triazine|2-Methylmercapto-4-ethylamino-6-isopropylamino-s-triazine|2-Methylmercapto-4-isopropylamino-6-ethylamino-s-triazine|2-Methylthio-4-ethylamino-6-isopropylamino-s-triazine|2-Methylthio-4-ethylamino-6-isopropylamino-sym-triazine|Amephyt|Ametrex|ametrina|Ametrine|ametryn|Ametryn ((2-Ethylamino)-4-(isopropylamino)-6-(methylthio)-s-triazine)|ametryne|BRN 0613099|Caswell No. 431|Cemerin|Crisatrine|Doruplant|EINECS 212-634-7|EPA Pesticide Chemical Code 080801|Evik|G-34162|Gardopax|Gesapax|Geshpax|Gestene|N-Ethyl-N-isopropyl-6-methylthio-1,3,5-triazine-2,4-diamine|N-Ethyl-N'-(1-methylethyl)-6-( https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023869 https://doi.org/10.22427/NTP-DATA-DTXSID1023869
ARPathway2016 ARPathway2016_1632 Ametryn 834-12-8 DTXSID1023869 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCNC1=NC(SC)=NC(NC(C)C)=N1 Ametryn 834-12-8|Ametryn|1,3,5-Triazine-2,4-diamine, N-ethyl-N'-(1-methylethyl)-6-(methylthio)-|1,3,5-Triazine-2,4-diamine, N2-ethyl-N4-(1-methylethyl)-6-(methylthio)-|2-(methylthio)-4-(ethylamino)-6-(isopropylamino)-s-triazine|2-Ethylamino-4-isopropylamino-6-methylmercapto-s-triazine|2-Ethylamino-4-isopropylamino-6-methylthio-1,3,5-triazine|2-Ethylamino-4-isopropylamino-6-methylthio-s-triazine|2-Ethylamino-4-methylthio-6-isopropylamino-1,3,5-triazine|2-Methylmercapto-4-ethylamino-6-isopropylamino-s-triazine|2-Methylmercapto-4-isopropylamino-6-ethylamino-s-triazine|2-Methylthio-4-ethylamino-6-isopropylamino-s-triazine|2-Methylthio-4-ethylamino-6-isopropylamino-sym-triazine|Amephyt|Ametrex|ametrina|Ametrine|ametryn|Ametryn ((2-Ethylamino)-4-(isopropylamino)-6-(methylthio)-s-triazine)|ametryne|BRN 0613099|Caswell No. 431|Cemerin|Crisatrine|Doruplant|EINECS 212-634-7|EPA Pesticide Chemical Code 080801|Evik|G-34162|Gardopax|Gesapax|Geshpax|Gestene|N-Ethyl-N-isopropyl-6-methylthio-1,3,5-triazine-2,4-diamine|N-Ethyl-N'-(1-methylethyl)-6-( https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023869 https://doi.org/10.22427/NTP-DATA-DTXSID1023869
ARPathway2016 ARPathway2016_1632 Ametryn 834-12-8 DTXSID1023869 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCNC1=NC(SC)=NC(NC(C)C)=N1 Ametryn 834-12-8|Ametryn|1,3,5-Triazine-2,4-diamine, N-ethyl-N'-(1-methylethyl)-6-(methylthio)-|1,3,5-Triazine-2,4-diamine, N2-ethyl-N4-(1-methylethyl)-6-(methylthio)-|2-(methylthio)-4-(ethylamino)-6-(isopropylamino)-s-triazine|2-Ethylamino-4-isopropylamino-6-methylmercapto-s-triazine|2-Ethylamino-4-isopropylamino-6-methylthio-1,3,5-triazine|2-Ethylamino-4-isopropylamino-6-methylthio-s-triazine|2-Ethylamino-4-methylthio-6-isopropylamino-1,3,5-triazine|2-Methylmercapto-4-ethylamino-6-isopropylamino-s-triazine|2-Methylmercapto-4-isopropylamino-6-ethylamino-s-triazine|2-Methylthio-4-ethylamino-6-isopropylamino-s-triazine|2-Methylthio-4-ethylamino-6-isopropylamino-sym-triazine|Amephyt|Ametrex|ametrina|Ametrine|ametryn|Ametryn ((2-Ethylamino)-4-(isopropylamino)-6-(methylthio)-s-triazine)|ametryne|BRN 0613099|Caswell No. 431|Cemerin|Crisatrine|Doruplant|EINECS 212-634-7|EPA Pesticide Chemical Code 080801|Evik|G-34162|Gardopax|Gesapax|Geshpax|Gestene|N-Ethyl-N-isopropyl-6-methylthio-1,3,5-triazine-2,4-diamine|N-Ethyl-N'-(1-methylethyl)-6-( https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023869 https://doi.org/10.22427/NTP-DATA-DTXSID1023869
ARPathway2016 ARPathway2016_1632 Ametryn 834-12-8 DTXSID1023869 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCNC1=NC(SC)=NC(NC(C)C)=N1 Ametryn 834-12-8|Ametryn|1,3,5-Triazine-2,4-diamine, N-ethyl-N'-(1-methylethyl)-6-(methylthio)-|1,3,5-Triazine-2,4-diamine, N2-ethyl-N4-(1-methylethyl)-6-(methylthio)-|2-(methylthio)-4-(ethylamino)-6-(isopropylamino)-s-triazine|2-Ethylamino-4-isopropylamino-6-methylmercapto-s-triazine|2-Ethylamino-4-isopropylamino-6-methylthio-1,3,5-triazine|2-Ethylamino-4-isopropylamino-6-methylthio-s-triazine|2-Ethylamino-4-methylthio-6-isopropylamino-1,3,5-triazine|2-Methylmercapto-4-ethylamino-6-isopropylamino-s-triazine|2-Methylmercapto-4-isopropylamino-6-ethylamino-s-triazine|2-Methylthio-4-ethylamino-6-isopropylamino-s-triazine|2-Methylthio-4-ethylamino-6-isopropylamino-sym-triazine|Amephyt|Ametrex|ametrina|Ametrine|ametryn|Ametryn ((2-Ethylamino)-4-(isopropylamino)-6-(methylthio)-s-triazine)|ametryne|BRN 0613099|Caswell No. 431|Cemerin|Crisatrine|Doruplant|EINECS 212-634-7|EPA Pesticide Chemical Code 080801|Evik|G-34162|Gardopax|Gesapax|Geshpax|Gestene|N-Ethyl-N-isopropyl-6-methylthio-1,3,5-triazine-2,4-diamine|N-Ethyl-N'-(1-methylethyl)-6-( https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023869 https://doi.org/10.22427/NTP-DATA-DTXSID1023869
ERPathway2016 ERPathway2016_1696 Ametryn 834-12-8 DTXSID1023869 ER Pathway Model, Agonist Model Score 0 Unitless CCNC1=NC(SC)=NC(NC(C)C)=N1 Ametryn 834-12-8|Ametryn|1,3,5-Triazine-2,4-diamine, N-ethyl-N'-(1-methylethyl)-6-(methylthio)-|1,3,5-Triazine-2,4-diamine, N2-ethyl-N4-(1-methylethyl)-6-(methylthio)-|2-(methylthio)-4-(ethylamino)-6-(isopropylamino)-s-triazine|2-Ethylamino-4-isopropylamino-6-methylmercapto-s-triazine|2-Ethylamino-4-isopropylamino-6-methylthio-1,3,5-triazine|2-Ethylamino-4-isopropylamino-6-methylthio-s-triazine|2-Ethylamino-4-methylthio-6-isopropylamino-1,3,5-triazine|2-Methylmercapto-4-ethylamino-6-isopropylamino-s-triazine|2-Methylmercapto-4-isopropylamino-6-ethylamino-s-triazine|2-Methylthio-4-ethylamino-6-isopropylamino-s-triazine|2-Methylthio-4-ethylamino-6-isopropylamino-sym-triazine|Amephyt|Ametrex|ametrina|Ametrine|ametryn|Ametryn ((2-Ethylamino)-4-(isopropylamino)-6-(methylthio)-s-triazine)|ametryne|BRN 0613099|Caswell No. 431|Cemerin|Crisatrine|Doruplant|EINECS 212-634-7|EPA Pesticide Chemical Code 080801|Evik|G-34162|Gardopax|Gesapax|Geshpax|Gestene|N-Ethyl-N-isopropyl-6-methylthio-1,3,5-triazine-2,4-diamine|N-Ethyl-N'-(1-methylethyl)-6-( https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023869 https://doi.org/10.22427/NTP-DATA-DTXSID1023869
ERPathway2016 ERPathway2016_1696 Ametryn 834-12-8 DTXSID1023869 ER Pathway Model, Antagonist Model Score 0 Unitless CCNC1=NC(SC)=NC(NC(C)C)=N1 Ametryn 834-12-8|Ametryn|1,3,5-Triazine-2,4-diamine, N-ethyl-N'-(1-methylethyl)-6-(methylthio)-|1,3,5-Triazine-2,4-diamine, N2-ethyl-N4-(1-methylethyl)-6-(methylthio)-|2-(methylthio)-4-(ethylamino)-6-(isopropylamino)-s-triazine|2-Ethylamino-4-isopropylamino-6-methylmercapto-s-triazine|2-Ethylamino-4-isopropylamino-6-methylthio-1,3,5-triazine|2-Ethylamino-4-isopropylamino-6-methylthio-s-triazine|2-Ethylamino-4-methylthio-6-isopropylamino-1,3,5-triazine|2-Methylmercapto-4-ethylamino-6-isopropylamino-s-triazine|2-Methylmercapto-4-isopropylamino-6-ethylamino-s-triazine|2-Methylthio-4-ethylamino-6-isopropylamino-s-triazine|2-Methylthio-4-ethylamino-6-isopropylamino-sym-triazine|Amephyt|Ametrex|ametrina|Ametrine|ametryn|Ametryn ((2-Ethylamino)-4-(isopropylamino)-6-(methylthio)-s-triazine)|ametryne|BRN 0613099|Caswell No. 431|Cemerin|Crisatrine|Doruplant|EINECS 212-634-7|EPA Pesticide Chemical Code 080801|Evik|G-34162|Gardopax|Gesapax|Geshpax|Gestene|N-Ethyl-N-isopropyl-6-methylthio-1,3,5-triazine-2,4-diamine|N-Ethyl-N'-(1-methylethyl)-6-( https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023869 https://doi.org/10.22427/NTP-DATA-DTXSID1023869
ERPathway2016 ERPathway2016_1696 Ametryn 834-12-8 DTXSID1023869 ER Pathway Model, Agonist Call Inactive Unitless CCNC1=NC(SC)=NC(NC(C)C)=N1 Ametryn 834-12-8|Ametryn|1,3,5-Triazine-2,4-diamine, N-ethyl-N'-(1-methylethyl)-6-(methylthio)-|1,3,5-Triazine-2,4-diamine, N2-ethyl-N4-(1-methylethyl)-6-(methylthio)-|2-(methylthio)-4-(ethylamino)-6-(isopropylamino)-s-triazine|2-Ethylamino-4-isopropylamino-6-methylmercapto-s-triazine|2-Ethylamino-4-isopropylamino-6-methylthio-1,3,5-triazine|2-Ethylamino-4-isopropylamino-6-methylthio-s-triazine|2-Ethylamino-4-methylthio-6-isopropylamino-1,3,5-triazine|2-Methylmercapto-4-ethylamino-6-isopropylamino-s-triazine|2-Methylmercapto-4-isopropylamino-6-ethylamino-s-triazine|2-Methylthio-4-ethylamino-6-isopropylamino-s-triazine|2-Methylthio-4-ethylamino-6-isopropylamino-sym-triazine|Amephyt|Ametrex|ametrina|Ametrine|ametryn|Ametryn ((2-Ethylamino)-4-(isopropylamino)-6-(methylthio)-s-triazine)|ametryne|BRN 0613099|Caswell No. 431|Cemerin|Crisatrine|Doruplant|EINECS 212-634-7|EPA Pesticide Chemical Code 080801|Evik|G-34162|Gardopax|Gesapax|Geshpax|Gestene|N-Ethyl-N-isopropyl-6-methylthio-1,3,5-triazine-2,4-diamine|N-Ethyl-N'-(1-methylethyl)-6-( https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023869 https://doi.org/10.22427/NTP-DATA-DTXSID1023869
ERPathway2016 ERPathway2016_1696 Ametryn 834-12-8 DTXSID1023869 ER Pathway Model, Antagonist Call Inactive Unitless CCNC1=NC(SC)=NC(NC(C)C)=N1 Ametryn 834-12-8|Ametryn|1,3,5-Triazine-2,4-diamine, N-ethyl-N'-(1-methylethyl)-6-(methylthio)-|1,3,5-Triazine-2,4-diamine, N2-ethyl-N4-(1-methylethyl)-6-(methylthio)-|2-(methylthio)-4-(ethylamino)-6-(isopropylamino)-s-triazine|2-Ethylamino-4-isopropylamino-6-methylmercapto-s-triazine|2-Ethylamino-4-isopropylamino-6-methylthio-1,3,5-triazine|2-Ethylamino-4-isopropylamino-6-methylthio-s-triazine|2-Ethylamino-4-methylthio-6-isopropylamino-1,3,5-triazine|2-Methylmercapto-4-ethylamino-6-isopropylamino-s-triazine|2-Methylmercapto-4-isopropylamino-6-ethylamino-s-triazine|2-Methylthio-4-ethylamino-6-isopropylamino-s-triazine|2-Methylthio-4-ethylamino-6-isopropylamino-sym-triazine|Amephyt|Ametrex|ametrina|Ametrine|ametryn|Ametryn ((2-Ethylamino)-4-(isopropylamino)-6-(methylthio)-s-triazine)|ametryne|BRN 0613099|Caswell No. 431|Cemerin|Crisatrine|Doruplant|EINECS 212-634-7|EPA Pesticide Chemical Code 080801|Evik|G-34162|Gardopax|Gesapax|Geshpax|Gestene|N-Ethyl-N-isopropyl-6-methylthio-1,3,5-triazine-2,4-diamine|N-Ethyl-N'-(1-methylethyl)-6-( https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023869 https://doi.org/10.22427/NTP-DATA-DTXSID1023869
ARPathway2016 ARPathway2016_742 Aminoglutethimide 125-84-8 DTXSID8022589 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1 Aminoglutethimide 125-84-8|Aminoglutethimide|(.+-.)-Aminoglutethimide|(RS)-Aminoglutethimide|2-(p-Aminophenyl)-2-ethylglutarimide|2,6-Piperidinedione, 3-(4-aminophenyl)-3-ethyl-|3-(4-Aminophenyl)-3-ethyl-2,6-piperidindion|3-(4-Aminophenyl)-3-ethylpiperidine-2,6-dione|3-Ethyl-3-(p-aminophenyl)-2,6-dioxopiperidine|alpha-(p-Aminophenyl)-alpha-ethylglutarimide|Aminoglutethimid|Aminoglutethimidum|aminoglutetimida|BRN 0210656|Cytadren|dl-Aminoglutethimide|DL-p-Aminoglutethimide|EINECS 204-756-4|Elipten|Glutarimide, 2-(p-aminophenyl)-2-ethyl-|NSC 330915|Orimeten|p-Aminoglutethimide|UNII-0O54ZQ14I9|a-(p-Aminophenyl)-a-ethylglutarimide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022589
ARPathway2016 ARPathway2016_742 Aminoglutethimide 125-84-8 DTXSID8022589 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1 Aminoglutethimide 125-84-8|Aminoglutethimide|(.+-.)-Aminoglutethimide|(RS)-Aminoglutethimide|2-(p-Aminophenyl)-2-ethylglutarimide|2,6-Piperidinedione, 3-(4-aminophenyl)-3-ethyl-|3-(4-Aminophenyl)-3-ethyl-2,6-piperidindion|3-(4-Aminophenyl)-3-ethylpiperidine-2,6-dione|3-Ethyl-3-(p-aminophenyl)-2,6-dioxopiperidine|alpha-(p-Aminophenyl)-alpha-ethylglutarimide|Aminoglutethimid|Aminoglutethimidum|aminoglutetimida|BRN 0210656|Cytadren|dl-Aminoglutethimide|DL-p-Aminoglutethimide|EINECS 204-756-4|Elipten|Glutarimide, 2-(p-aminophenyl)-2-ethyl-|NSC 330915|Orimeten|p-Aminoglutethimide|UNII-0O54ZQ14I9|a-(p-Aminophenyl)-a-ethylglutarimide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022589
ARPathway2016 ARPathway2016_742 Aminoglutethimide 125-84-8 DTXSID8022589 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1 Aminoglutethimide 125-84-8|Aminoglutethimide|(.+-.)-Aminoglutethimide|(RS)-Aminoglutethimide|2-(p-Aminophenyl)-2-ethylglutarimide|2,6-Piperidinedione, 3-(4-aminophenyl)-3-ethyl-|3-(4-Aminophenyl)-3-ethyl-2,6-piperidindion|3-(4-Aminophenyl)-3-ethylpiperidine-2,6-dione|3-Ethyl-3-(p-aminophenyl)-2,6-dioxopiperidine|alpha-(p-Aminophenyl)-alpha-ethylglutarimide|Aminoglutethimid|Aminoglutethimidum|aminoglutetimida|BRN 0210656|Cytadren|dl-Aminoglutethimide|DL-p-Aminoglutethimide|EINECS 204-756-4|Elipten|Glutarimide, 2-(p-aminophenyl)-2-ethyl-|NSC 330915|Orimeten|p-Aminoglutethimide|UNII-0O54ZQ14I9|a-(p-Aminophenyl)-a-ethylglutarimide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022589
ARPathway2016 ARPathway2016_742 Aminoglutethimide 125-84-8 DTXSID8022589 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1 Aminoglutethimide 125-84-8|Aminoglutethimide|(.+-.)-Aminoglutethimide|(RS)-Aminoglutethimide|2-(p-Aminophenyl)-2-ethylglutarimide|2,6-Piperidinedione, 3-(4-aminophenyl)-3-ethyl-|3-(4-Aminophenyl)-3-ethyl-2,6-piperidindion|3-(4-Aminophenyl)-3-ethylpiperidine-2,6-dione|3-Ethyl-3-(p-aminophenyl)-2,6-dioxopiperidine|alpha-(p-Aminophenyl)-alpha-ethylglutarimide|Aminoglutethimid|Aminoglutethimidum|aminoglutetimida|BRN 0210656|Cytadren|dl-Aminoglutethimide|DL-p-Aminoglutethimide|EINECS 204-756-4|Elipten|Glutarimide, 2-(p-aminophenyl)-2-ethyl-|NSC 330915|Orimeten|p-Aminoglutethimide|UNII-0O54ZQ14I9|a-(p-Aminophenyl)-a-ethylglutarimide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022589
ERPathway2016 ERPathway2016_1253 Aminoglutethimide 125-84-8 DTXSID8022589 ER Pathway Model, Agonist Model Score 0 Unitless CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1 Aminoglutethimide 125-84-8|Aminoglutethimide|(.+-.)-Aminoglutethimide|(RS)-Aminoglutethimide|2-(p-Aminophenyl)-2-ethylglutarimide|2,6-Piperidinedione, 3-(4-aminophenyl)-3-ethyl-|3-(4-Aminophenyl)-3-ethyl-2,6-piperidindion|3-(4-Aminophenyl)-3-ethylpiperidine-2,6-dione|3-Ethyl-3-(p-aminophenyl)-2,6-dioxopiperidine|alpha-(p-Aminophenyl)-alpha-ethylglutarimide|Aminoglutethimid|Aminoglutethimidum|aminoglutetimida|BRN 0210656|Cytadren|dl-Aminoglutethimide|DL-p-Aminoglutethimide|EINECS 204-756-4|Elipten|Glutarimide, 2-(p-aminophenyl)-2-ethyl-|NSC 330915|Orimeten|p-Aminoglutethimide|UNII-0O54ZQ14I9|a-(p-Aminophenyl)-a-ethylglutarimide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022589
ERPathway2016 ERPathway2016_1253 Aminoglutethimide 125-84-8 DTXSID8022589 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1 Aminoglutethimide 125-84-8|Aminoglutethimide|(.+-.)-Aminoglutethimide|(RS)-Aminoglutethimide|2-(p-Aminophenyl)-2-ethylglutarimide|2,6-Piperidinedione, 3-(4-aminophenyl)-3-ethyl-|3-(4-Aminophenyl)-3-ethyl-2,6-piperidindion|3-(4-Aminophenyl)-3-ethylpiperidine-2,6-dione|3-Ethyl-3-(p-aminophenyl)-2,6-dioxopiperidine|alpha-(p-Aminophenyl)-alpha-ethylglutarimide|Aminoglutethimid|Aminoglutethimidum|aminoglutetimida|BRN 0210656|Cytadren|dl-Aminoglutethimide|DL-p-Aminoglutethimide|EINECS 204-756-4|Elipten|Glutarimide, 2-(p-aminophenyl)-2-ethyl-|NSC 330915|Orimeten|p-Aminoglutethimide|UNII-0O54ZQ14I9|a-(p-Aminophenyl)-a-ethylglutarimide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022589
ERPathway2016 ERPathway2016_1253 Aminoglutethimide 125-84-8 DTXSID8022589 ER Pathway Model, Agonist Call Inactive Unitless CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1 Aminoglutethimide 125-84-8|Aminoglutethimide|(.+-.)-Aminoglutethimide|(RS)-Aminoglutethimide|2-(p-Aminophenyl)-2-ethylglutarimide|2,6-Piperidinedione, 3-(4-aminophenyl)-3-ethyl-|3-(4-Aminophenyl)-3-ethyl-2,6-piperidindion|3-(4-Aminophenyl)-3-ethylpiperidine-2,6-dione|3-Ethyl-3-(p-aminophenyl)-2,6-dioxopiperidine|alpha-(p-Aminophenyl)-alpha-ethylglutarimide|Aminoglutethimid|Aminoglutethimidum|aminoglutetimida|BRN 0210656|Cytadren|dl-Aminoglutethimide|DL-p-Aminoglutethimide|EINECS 204-756-4|Elipten|Glutarimide, 2-(p-aminophenyl)-2-ethyl-|NSC 330915|Orimeten|p-Aminoglutethimide|UNII-0O54ZQ14I9|a-(p-Aminophenyl)-a-ethylglutarimide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022589
ERPathway2016 ERPathway2016_1253 Aminoglutethimide 125-84-8 DTXSID8022589 ER Pathway Model, Antagonist Call Inactive Unitless CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1 Aminoglutethimide 125-84-8|Aminoglutethimide|(.+-.)-Aminoglutethimide|(RS)-Aminoglutethimide|2-(p-Aminophenyl)-2-ethylglutarimide|2,6-Piperidinedione, 3-(4-aminophenyl)-3-ethyl-|3-(4-Aminophenyl)-3-ethyl-2,6-piperidindion|3-(4-Aminophenyl)-3-ethylpiperidine-2,6-dione|3-Ethyl-3-(p-aminophenyl)-2,6-dioxopiperidine|alpha-(p-Aminophenyl)-alpha-ethylglutarimide|Aminoglutethimid|Aminoglutethimidum|aminoglutetimida|BRN 0210656|Cytadren|dl-Aminoglutethimide|DL-p-Aminoglutethimide|EINECS 204-756-4|Elipten|Glutarimide, 2-(p-aminophenyl)-2-ethyl-|NSC 330915|Orimeten|p-Aminoglutethimide|UNII-0O54ZQ14I9|a-(p-Aminophenyl)-a-ethylglutarimide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022589
ARPathway2016 ARPathway2016_1311 Aminopterin 54-62-6 DTXSID3022588 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(N)=N1 Aminopterin 54-62-6|Aminopterin|(2S)-2-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}benzamido)pentanedioic acid|(2S)-2-[(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)amino]pentanedioic acid|(2S)-2-[[4-[(2,4-Diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|200-209-9|4-26-00-03831|4-Amino pteroylglutamic acid|4-Amino-4-deoxypteroylglutamate|4-Amino-4-desoxy-pteroylglutaminsaeure|4-Amino-PGA|4-Aminofolic acid|4-Aminopteroylglutamic acid|4'-Amino-folsaeure|4'-Desoxy-4'-aminofolsaeure|A-Ninopterin|Acide N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-L-glutamique|acido N-[4-[[(2,4-diamino-6-pteridinil)metil]amino]benzoil]-L-glutamico|Aminopteridine|Aminopterine|Aminopterinum|APGA|BRN 0069045|EC No.: 200-209-9|EINECS 200-209-9|Folic acid, 4-amino-|Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-, L-|Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, L-|Kyselina 4-aminolistova|Kyselina 4-aminopteroylglutamova|Kyselina N-(p-((2,4-diamino-6-pteridinyl)methyl)benzoyl)-L(+)-glutamo|120382-78-7|64801-55-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022588
ARPathway2016 ARPathway2016_1311 Aminopterin 54-62-6 DTXSID3022588 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(N)=N1 Aminopterin 54-62-6|Aminopterin|(2S)-2-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}benzamido)pentanedioic acid|(2S)-2-[(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)amino]pentanedioic acid|(2S)-2-[[4-[(2,4-Diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|200-209-9|4-26-00-03831|4-Amino pteroylglutamic acid|4-Amino-4-deoxypteroylglutamate|4-Amino-4-desoxy-pteroylglutaminsaeure|4-Amino-PGA|4-Aminofolic acid|4-Aminopteroylglutamic acid|4'-Amino-folsaeure|4'-Desoxy-4'-aminofolsaeure|A-Ninopterin|Acide N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-L-glutamique|acido N-[4-[[(2,4-diamino-6-pteridinil)metil]amino]benzoil]-L-glutamico|Aminopteridine|Aminopterine|Aminopterinum|APGA|BRN 0069045|EC No.: 200-209-9|EINECS 200-209-9|Folic acid, 4-amino-|Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-, L-|Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, L-|Kyselina 4-aminolistova|Kyselina 4-aminopteroylglutamova|Kyselina N-(p-((2,4-diamino-6-pteridinyl)methyl)benzoyl)-L(+)-glutamo|120382-78-7|64801-55-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022588
ARPathway2016 ARPathway2016_1311 Aminopterin 54-62-6 DTXSID3022588 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(N)=N1 Aminopterin 54-62-6|Aminopterin|(2S)-2-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}benzamido)pentanedioic acid|(2S)-2-[(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)amino]pentanedioic acid|(2S)-2-[[4-[(2,4-Diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|200-209-9|4-26-00-03831|4-Amino pteroylglutamic acid|4-Amino-4-deoxypteroylglutamate|4-Amino-4-desoxy-pteroylglutaminsaeure|4-Amino-PGA|4-Aminofolic acid|4-Aminopteroylglutamic acid|4'-Amino-folsaeure|4'-Desoxy-4'-aminofolsaeure|A-Ninopterin|Acide N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-L-glutamique|acido N-[4-[[(2,4-diamino-6-pteridinil)metil]amino]benzoil]-L-glutamico|Aminopteridine|Aminopterine|Aminopterinum|APGA|BRN 0069045|EC No.: 200-209-9|EINECS 200-209-9|Folic acid, 4-amino-|Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-, L-|Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, L-|Kyselina 4-aminolistova|Kyselina 4-aminopteroylglutamova|Kyselina N-(p-((2,4-diamino-6-pteridinyl)methyl)benzoyl)-L(+)-glutamo|120382-78-7|64801-55-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022588
ARPathway2016 ARPathway2016_1311 Aminopterin 54-62-6 DTXSID3022588 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(N)=N1 Aminopterin 54-62-6|Aminopterin|(2S)-2-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}benzamido)pentanedioic acid|(2S)-2-[(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)amino]pentanedioic acid|(2S)-2-[[4-[(2,4-Diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|200-209-9|4-26-00-03831|4-Amino pteroylglutamic acid|4-Amino-4-deoxypteroylglutamate|4-Amino-4-desoxy-pteroylglutaminsaeure|4-Amino-PGA|4-Aminofolic acid|4-Aminopteroylglutamic acid|4'-Amino-folsaeure|4'-Desoxy-4'-aminofolsaeure|A-Ninopterin|Acide N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-L-glutamique|acido N-[4-[[(2,4-diamino-6-pteridinil)metil]amino]benzoil]-L-glutamico|Aminopteridine|Aminopterine|Aminopterinum|APGA|BRN 0069045|EC No.: 200-209-9|EINECS 200-209-9|Folic acid, 4-amino-|Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-, L-|Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, L-|Kyselina 4-aminolistova|Kyselina 4-aminopteroylglutamova|Kyselina N-(p-((2,4-diamino-6-pteridinyl)methyl)benzoyl)-L(+)-glutamo|120382-78-7|64801-55-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022588
ERPathway2016 ERPathway2016_1528 Aminopterin 54-62-6 DTXSID3022588 ER Pathway Model, Agonist Model Score 0 Unitless NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(N)=N1 Aminopterin 54-62-6|Aminopterin|(2S)-2-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}benzamido)pentanedioic acid|(2S)-2-[(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)amino]pentanedioic acid|(2S)-2-[[4-[(2,4-Diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|200-209-9|4-26-00-03831|4-Amino pteroylglutamic acid|4-Amino-4-deoxypteroylglutamate|4-Amino-4-desoxy-pteroylglutaminsaeure|4-Amino-PGA|4-Aminofolic acid|4-Aminopteroylglutamic acid|4'-Amino-folsaeure|4'-Desoxy-4'-aminofolsaeure|A-Ninopterin|Acide N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-L-glutamique|acido N-[4-[[(2,4-diamino-6-pteridinil)metil]amino]benzoil]-L-glutamico|Aminopteridine|Aminopterine|Aminopterinum|APGA|BRN 0069045|EC No.: 200-209-9|EINECS 200-209-9|Folic acid, 4-amino-|Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-, L-|Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, L-|Kyselina 4-aminolistova|Kyselina 4-aminopteroylglutamova|Kyselina N-(p-((2,4-diamino-6-pteridinyl)methyl)benzoyl)-L(+)-glutamo|120382-78-7|64801-55-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022588
ERPathway2016 ERPathway2016_1528 Aminopterin 54-62-6 DTXSID3022588 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(N)=N1 Aminopterin 54-62-6|Aminopterin|(2S)-2-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}benzamido)pentanedioic acid|(2S)-2-[(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)amino]pentanedioic acid|(2S)-2-[[4-[(2,4-Diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|200-209-9|4-26-00-03831|4-Amino pteroylglutamic acid|4-Amino-4-deoxypteroylglutamate|4-Amino-4-desoxy-pteroylglutaminsaeure|4-Amino-PGA|4-Aminofolic acid|4-Aminopteroylglutamic acid|4'-Amino-folsaeure|4'-Desoxy-4'-aminofolsaeure|A-Ninopterin|Acide N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-L-glutamique|acido N-[4-[[(2,4-diamino-6-pteridinil)metil]amino]benzoil]-L-glutamico|Aminopteridine|Aminopterine|Aminopterinum|APGA|BRN 0069045|EC No.: 200-209-9|EINECS 200-209-9|Folic acid, 4-amino-|Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-, L-|Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, L-|Kyselina 4-aminolistova|Kyselina 4-aminopteroylglutamova|Kyselina N-(p-((2,4-diamino-6-pteridinyl)methyl)benzoyl)-L(+)-glutamo|120382-78-7|64801-55-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022588
ERPathway2016 ERPathway2016_1528 Aminopterin 54-62-6 DTXSID3022588 ER Pathway Model, Agonist Call Inactive Unitless NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(N)=N1 Aminopterin 54-62-6|Aminopterin|(2S)-2-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}benzamido)pentanedioic acid|(2S)-2-[(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)amino]pentanedioic acid|(2S)-2-[[4-[(2,4-Diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|200-209-9|4-26-00-03831|4-Amino pteroylglutamic acid|4-Amino-4-deoxypteroylglutamate|4-Amino-4-desoxy-pteroylglutaminsaeure|4-Amino-PGA|4-Aminofolic acid|4-Aminopteroylglutamic acid|4'-Amino-folsaeure|4'-Desoxy-4'-aminofolsaeure|A-Ninopterin|Acide N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-L-glutamique|acido N-[4-[[(2,4-diamino-6-pteridinil)metil]amino]benzoil]-L-glutamico|Aminopteridine|Aminopterine|Aminopterinum|APGA|BRN 0069045|EC No.: 200-209-9|EINECS 200-209-9|Folic acid, 4-amino-|Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-, L-|Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, L-|Kyselina 4-aminolistova|Kyselina 4-aminopteroylglutamova|Kyselina N-(p-((2,4-diamino-6-pteridinyl)methyl)benzoyl)-L(+)-glutamo|120382-78-7|64801-55-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022588
ERPathway2016 ERPathway2016_1528 Aminopterin 54-62-6 DTXSID3022588 ER Pathway Model, Antagonist Call Inactive Unitless NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(N)=N1 Aminopterin 54-62-6|Aminopterin|(2S)-2-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}benzamido)pentanedioic acid|(2S)-2-[(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)amino]pentanedioic acid|(2S)-2-[[4-[(2,4-Diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|200-209-9|4-26-00-03831|4-Amino pteroylglutamic acid|4-Amino-4-deoxypteroylglutamate|4-Amino-4-desoxy-pteroylglutaminsaeure|4-Amino-PGA|4-Aminofolic acid|4-Aminopteroylglutamic acid|4'-Amino-folsaeure|4'-Desoxy-4'-aminofolsaeure|A-Ninopterin|Acide N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-L-glutamique|acido N-[4-[[(2,4-diamino-6-pteridinil)metil]amino]benzoil]-L-glutamico|Aminopteridine|Aminopterine|Aminopterinum|APGA|BRN 0069045|EC No.: 200-209-9|EINECS 200-209-9|Folic acid, 4-amino-|Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-, L-|Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, L-|Kyselina 4-aminolistova|Kyselina 4-aminopteroylglutamova|Kyselina N-(p-((2,4-diamino-6-pteridinyl)methyl)benzoyl)-L(+)-glutamo|120382-78-7|64801-55-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022588
ARPathway2016 ARPathway2016_105 Amiodarone hydrochloride 19774-82-4 DTXSID7037185 True antagonist shift (No hit/Hit) 4.0 Agonist AR Pathway Model, Agonist AC50 13.76322187 uM Cl.CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 Amiodarone hydrochloride 19774-82-4|Amiodarone hydrochloride|2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone hydrochloride|51087 N HCl|Amiodar|Amiodarone HCl|Amiodaronum hydrochloride|Angoron|Atlansil|Cordarex|Cordarone|EINECS 243-293-2|L 3428 labaz|Miodrone|Nexterone|NSC 85442|Pacerone|Renodoron|Ritmocardyl|Rythmarone|SKF 33134 A|SKF 33134-A|Trangorex|UNII-976728SY6Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037185
ARPathway2016 ARPathway2016_105 Amiodarone hydrochloride 19774-82-4 DTXSID7037185 True antagonist shift (No hit/Hit) 4.0 Agonist AR Pathway Model, Agonist ACC 8.074575452 uM Cl.CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 Amiodarone hydrochloride 19774-82-4|Amiodarone hydrochloride|2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone hydrochloride|51087 N HCl|Amiodar|Amiodarone HCl|Amiodaronum hydrochloride|Angoron|Atlansil|Cordarex|Cordarone|EINECS 243-293-2|L 3428 labaz|Miodrone|Nexterone|NSC 85442|Pacerone|Renodoron|Ritmocardyl|Rythmarone|SKF 33134 A|SKF 33134-A|Trangorex|UNII-976728SY6Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037185
ARPathway2016 ARPathway2016_105 Amiodarone hydrochloride 19774-82-4 DTXSID7037185 True antagonist shift (No hit/Hit) 4.0 Agonist AR Pathway Model, Antagonist Model Score 0.189 Unitless Cl.CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 Amiodarone hydrochloride 19774-82-4|Amiodarone hydrochloride|2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone hydrochloride|51087 N HCl|Amiodar|Amiodarone HCl|Amiodaronum hydrochloride|Angoron|Atlansil|Cordarex|Cordarone|EINECS 243-293-2|L 3428 labaz|Miodrone|Nexterone|NSC 85442|Pacerone|Renodoron|Ritmocardyl|Rythmarone|SKF 33134 A|SKF 33134-A|Trangorex|UNII-976728SY6Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037185
ARPathway2016 ARPathway2016_105 Amiodarone hydrochloride 19774-82-4 DTXSID7037185 True antagonist shift (No hit/Hit) 4.0 Agonist AR Pathway Model, Agonist Model Score 0.126 Unitless Cl.CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 Amiodarone hydrochloride 19774-82-4|Amiodarone hydrochloride|2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone hydrochloride|51087 N HCl|Amiodar|Amiodarone HCl|Amiodaronum hydrochloride|Angoron|Atlansil|Cordarex|Cordarone|EINECS 243-293-2|L 3428 labaz|Miodrone|Nexterone|NSC 85442|Pacerone|Renodoron|Ritmocardyl|Rythmarone|SKF 33134 A|SKF 33134-A|Trangorex|UNII-976728SY6Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037185
ARPathway2016 ARPathway2016_105 Amiodarone hydrochloride 19774-82-4 DTXSID7037185 True antagonist shift (No hit/Hit) 4.0 Agonist AR Pathway Model, Agonist Call Active Unitless Cl.CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 Amiodarone hydrochloride 19774-82-4|Amiodarone hydrochloride|2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone hydrochloride|51087 N HCl|Amiodar|Amiodarone HCl|Amiodaronum hydrochloride|Angoron|Atlansil|Cordarex|Cordarone|EINECS 243-293-2|L 3428 labaz|Miodrone|Nexterone|NSC 85442|Pacerone|Renodoron|Ritmocardyl|Rythmarone|SKF 33134 A|SKF 33134-A|Trangorex|UNII-976728SY6Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037185
ARPathway2016 ARPathway2016_105 Amiodarone hydrochloride 19774-82-4 DTXSID7037185 True antagonist shift (No hit/Hit) 4.0 Agonist AR Pathway Model, Antagonist Call Inactive Unitless Cl.CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 Amiodarone hydrochloride 19774-82-4|Amiodarone hydrochloride|2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone hydrochloride|51087 N HCl|Amiodar|Amiodarone HCl|Amiodaronum hydrochloride|Angoron|Atlansil|Cordarex|Cordarone|EINECS 243-293-2|L 3428 labaz|Miodrone|Nexterone|NSC 85442|Pacerone|Renodoron|Ritmocardyl|Rythmarone|SKF 33134 A|SKF 33134-A|Trangorex|UNII-976728SY6Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037185
ERPathway2016 ERPathway2016_721 Amiodarone hydrochloride 19774-82-4 DTXSID7037185 A3 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 Amiodarone hydrochloride 19774-82-4|Amiodarone hydrochloride|2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone hydrochloride|51087 N HCl|Amiodar|Amiodarone HCl|Amiodaronum hydrochloride|Angoron|Atlansil|Cordarex|Cordarone|EINECS 243-293-2|L 3428 labaz|Miodrone|Nexterone|NSC 85442|Pacerone|Renodoron|Ritmocardyl|Rythmarone|SKF 33134 A|SKF 33134-A|Trangorex|UNII-976728SY6Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037185
ERPathway2016 ERPathway2016_721 Amiodarone hydrochloride 19774-82-4 DTXSID7037185 A3 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 Amiodarone hydrochloride 19774-82-4|Amiodarone hydrochloride|2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone hydrochloride|51087 N HCl|Amiodar|Amiodarone HCl|Amiodaronum hydrochloride|Angoron|Atlansil|Cordarex|Cordarone|EINECS 243-293-2|L 3428 labaz|Miodrone|Nexterone|NSC 85442|Pacerone|Renodoron|Ritmocardyl|Rythmarone|SKF 33134 A|SKF 33134-A|Trangorex|UNII-976728SY6Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037185
ERPathway2016 ERPathway2016_721 Amiodarone hydrochloride 19774-82-4 DTXSID7037185 A3 ER Pathway Model, Agonist Call Inactive Unitless Cl.CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 Amiodarone hydrochloride 19774-82-4|Amiodarone hydrochloride|2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone hydrochloride|51087 N HCl|Amiodar|Amiodarone HCl|Amiodaronum hydrochloride|Angoron|Atlansil|Cordarex|Cordarone|EINECS 243-293-2|L 3428 labaz|Miodrone|Nexterone|NSC 85442|Pacerone|Renodoron|Ritmocardyl|Rythmarone|SKF 33134 A|SKF 33134-A|Trangorex|UNII-976728SY6Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037185
ERPathway2016 ERPathway2016_721 Amiodarone hydrochloride 19774-82-4 DTXSID7037185 A3 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 Amiodarone hydrochloride 19774-82-4|Amiodarone hydrochloride|2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone hydrochloride|51087 N HCl|Amiodar|Amiodarone HCl|Amiodaronum hydrochloride|Angoron|Atlansil|Cordarex|Cordarone|EINECS 243-293-2|L 3428 labaz|Miodrone|Nexterone|NSC 85442|Pacerone|Renodoron|Ritmocardyl|Rythmarone|SKF 33134 A|SKF 33134-A|Trangorex|UNII-976728SY6Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037185
ARPathway2016 ARPathway2016_155 Amitraz 33089-61-1 DTXSID5023871 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist AC50 63.9598382913039 uM CN(C=NC1=C(C)C=C(C)C=C1)C=NC1=C(C)C=C(C)C=C1 Amitraz 33089-61-1|Amitraz|1,5-Di(2,4-dimethylphenyl)-3-methyl-1,3,5-triazapenta-1,4-diene|2-Methyl-1,3-di(2,4-xylylimino)-2-azapropane|251-375-4|Amigard|Amitraz estrella|Amitraze|Amitrazum|Apivar ND|Azadieno|Azaform|Boots BTS 27419|Bovitraz|BRN 2946590|Caswell No. 374A|EC No.: 251-375-4|Ectodex|Edrizar|EINECS 251-375-4|Ektodex|EPA Pesticide Chemical Code 106201|Formamidine, N-methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)-|Fumilat A|Methanimidamide, N'-(2,4-dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]methyl]-N-methyl-|Mitaban|N-Methyl-bis(2,4-xylyliminomethyl)amin|N-Methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)formamidine|N-Methylbis(2,4-xylyliminomethyl)amine|N,N-Bis(2,4-xylyliminomethyl)methylamine|N,N-Di-(2,4-Xylyliminomethyl)methylamine|N,N'-((Methylimino)dimethylidyne)bis(2,4-xylidine)|N,N'-((Methylimino)dimethylidyne)di-2,4-xylidine|N,N'-(Methyliminodimethylidyne)bis-2,4-xylidine|N'-(2,4-Dimethylphenyl)-N-(((2,4-dimethylphenyl)imino)methyl)-N-methylmethanimidamide|N'-(2,4-Dimethylphenyl)-N-[(2,4-dimethylphenyl)imino]methyl-N-|51847-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023871
ARPathway2016 ARPathway2016_155 Amitraz 33089-61-1 DTXSID5023871 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist ACC 61.6216135544935 uM CN(C=NC1=C(C)C=C(C)C=C1)C=NC1=C(C)C=C(C)C=C1 Amitraz 33089-61-1|Amitraz|1,5-Di(2,4-dimethylphenyl)-3-methyl-1,3,5-triazapenta-1,4-diene|2-Methyl-1,3-di(2,4-xylylimino)-2-azapropane|251-375-4|Amigard|Amitraz estrella|Amitraze|Amitrazum|Apivar ND|Azadieno|Azaform|Boots BTS 27419|Bovitraz|BRN 2946590|Caswell No. 374A|EC No.: 251-375-4|Ectodex|Edrizar|EINECS 251-375-4|Ektodex|EPA Pesticide Chemical Code 106201|Formamidine, N-methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)-|Fumilat A|Methanimidamide, N'-(2,4-dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]methyl]-N-methyl-|Mitaban|N-Methyl-bis(2,4-xylyliminomethyl)amin|N-Methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)formamidine|N-Methylbis(2,4-xylyliminomethyl)amine|N,N-Bis(2,4-xylyliminomethyl)methylamine|N,N-Di-(2,4-Xylyliminomethyl)methylamine|N,N'-((Methylimino)dimethylidyne)bis(2,4-xylidine)|N,N'-((Methylimino)dimethylidyne)di-2,4-xylidine|N,N'-(Methyliminodimethylidyne)bis-2,4-xylidine|N'-(2,4-Dimethylphenyl)-N-(((2,4-dimethylphenyl)imino)methyl)-N-methylmethanimidamide|N'-(2,4-Dimethylphenyl)-N-[(2,4-dimethylphenyl)imino]methyl-N-|51847-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023871
ARPathway2016 ARPathway2016_155 Amitraz 33089-61-1 DTXSID5023871 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0.026 Unitless CN(C=NC1=C(C)C=C(C)C=C1)C=NC1=C(C)C=C(C)C=C1 Amitraz 33089-61-1|Amitraz|1,5-Di(2,4-dimethylphenyl)-3-methyl-1,3,5-triazapenta-1,4-diene|2-Methyl-1,3-di(2,4-xylylimino)-2-azapropane|251-375-4|Amigard|Amitraz estrella|Amitraze|Amitrazum|Apivar ND|Azadieno|Azaform|Boots BTS 27419|Bovitraz|BRN 2946590|Caswell No. 374A|EC No.: 251-375-4|Ectodex|Edrizar|EINECS 251-375-4|Ektodex|EPA Pesticide Chemical Code 106201|Formamidine, N-methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)-|Fumilat A|Methanimidamide, N'-(2,4-dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]methyl]-N-methyl-|Mitaban|N-Methyl-bis(2,4-xylyliminomethyl)amin|N-Methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)formamidine|N-Methylbis(2,4-xylyliminomethyl)amine|N,N-Bis(2,4-xylyliminomethyl)methylamine|N,N-Di-(2,4-Xylyliminomethyl)methylamine|N,N'-((Methylimino)dimethylidyne)bis(2,4-xylidine)|N,N'-((Methylimino)dimethylidyne)di-2,4-xylidine|N,N'-(Methyliminodimethylidyne)bis-2,4-xylidine|N'-(2,4-Dimethylphenyl)-N-(((2,4-dimethylphenyl)imino)methyl)-N-methylmethanimidamide|N'-(2,4-Dimethylphenyl)-N-[(2,4-dimethylphenyl)imino]methyl-N-|51847-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023871
ARPathway2016 ARPathway2016_155 Amitraz 33089-61-1 DTXSID5023871 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CN(C=NC1=C(C)C=C(C)C=C1)C=NC1=C(C)C=C(C)C=C1 Amitraz 33089-61-1|Amitraz|1,5-Di(2,4-dimethylphenyl)-3-methyl-1,3,5-triazapenta-1,4-diene|2-Methyl-1,3-di(2,4-xylylimino)-2-azapropane|251-375-4|Amigard|Amitraz estrella|Amitraze|Amitrazum|Apivar ND|Azadieno|Azaform|Boots BTS 27419|Bovitraz|BRN 2946590|Caswell No. 374A|EC No.: 251-375-4|Ectodex|Edrizar|EINECS 251-375-4|Ektodex|EPA Pesticide Chemical Code 106201|Formamidine, N-methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)-|Fumilat A|Methanimidamide, N'-(2,4-dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]methyl]-N-methyl-|Mitaban|N-Methyl-bis(2,4-xylyliminomethyl)amin|N-Methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)formamidine|N-Methylbis(2,4-xylyliminomethyl)amine|N,N-Bis(2,4-xylyliminomethyl)methylamine|N,N-Di-(2,4-Xylyliminomethyl)methylamine|N,N'-((Methylimino)dimethylidyne)bis(2,4-xylidine)|N,N'-((Methylimino)dimethylidyne)di-2,4-xylidine|N,N'-(Methyliminodimethylidyne)bis-2,4-xylidine|N'-(2,4-Dimethylphenyl)-N-(((2,4-dimethylphenyl)imino)methyl)-N-methylmethanimidamide|N'-(2,4-Dimethylphenyl)-N-[(2,4-dimethylphenyl)imino]methyl-N-|51847-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023871
ARPathway2016 ARPathway2016_155 Amitraz 33089-61-1 DTXSID5023871 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Active Unitless CN(C=NC1=C(C)C=C(C)C=C1)C=NC1=C(C)C=C(C)C=C1 Amitraz 33089-61-1|Amitraz|1,5-Di(2,4-dimethylphenyl)-3-methyl-1,3,5-triazapenta-1,4-diene|2-Methyl-1,3-di(2,4-xylylimino)-2-azapropane|251-375-4|Amigard|Amitraz estrella|Amitraze|Amitrazum|Apivar ND|Azadieno|Azaform|Boots BTS 27419|Bovitraz|BRN 2946590|Caswell No. 374A|EC No.: 251-375-4|Ectodex|Edrizar|EINECS 251-375-4|Ektodex|EPA Pesticide Chemical Code 106201|Formamidine, N-methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)-|Fumilat A|Methanimidamide, N'-(2,4-dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]methyl]-N-methyl-|Mitaban|N-Methyl-bis(2,4-xylyliminomethyl)amin|N-Methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)formamidine|N-Methylbis(2,4-xylyliminomethyl)amine|N,N-Bis(2,4-xylyliminomethyl)methylamine|N,N-Di-(2,4-Xylyliminomethyl)methylamine|N,N'-((Methylimino)dimethylidyne)bis(2,4-xylidine)|N,N'-((Methylimino)dimethylidyne)di-2,4-xylidine|N,N'-(Methyliminodimethylidyne)bis-2,4-xylidine|N'-(2,4-Dimethylphenyl)-N-(((2,4-dimethylphenyl)imino)methyl)-N-methylmethanimidamide|N'-(2,4-Dimethylphenyl)-N-[(2,4-dimethylphenyl)imino]methyl-N-|51847-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023871
ARPathway2016 ARPathway2016_155 Amitraz 33089-61-1 DTXSID5023871 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CN(C=NC1=C(C)C=C(C)C=C1)C=NC1=C(C)C=C(C)C=C1 Amitraz 33089-61-1|Amitraz|1,5-Di(2,4-dimethylphenyl)-3-methyl-1,3,5-triazapenta-1,4-diene|2-Methyl-1,3-di(2,4-xylylimino)-2-azapropane|251-375-4|Amigard|Amitraz estrella|Amitraze|Amitrazum|Apivar ND|Azadieno|Azaform|Boots BTS 27419|Bovitraz|BRN 2946590|Caswell No. 374A|EC No.: 251-375-4|Ectodex|Edrizar|EINECS 251-375-4|Ektodex|EPA Pesticide Chemical Code 106201|Formamidine, N-methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)-|Fumilat A|Methanimidamide, N'-(2,4-dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]methyl]-N-methyl-|Mitaban|N-Methyl-bis(2,4-xylyliminomethyl)amin|N-Methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)formamidine|N-Methylbis(2,4-xylyliminomethyl)amine|N,N-Bis(2,4-xylyliminomethyl)methylamine|N,N-Di-(2,4-Xylyliminomethyl)methylamine|N,N'-((Methylimino)dimethylidyne)bis(2,4-xylidine)|N,N'-((Methylimino)dimethylidyne)di-2,4-xylidine|N,N'-(Methyliminodimethylidyne)bis-2,4-xylidine|N'-(2,4-Dimethylphenyl)-N-(((2,4-dimethylphenyl)imino)methyl)-N-methylmethanimidamide|N'-(2,4-Dimethylphenyl)-N-[(2,4-dimethylphenyl)imino]methyl-N-|51847-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023871
ERPathway2016 ERPathway2016_1454 Amitraz 33089-61-1 DTXSID5023871 ER Pathway Model, Agonist Model Score 0 Unitless CN(C=NC1=C(C)C=C(C)C=C1)C=NC1=C(C)C=C(C)C=C1 Amitraz 33089-61-1|Amitraz|1,5-Di(2,4-dimethylphenyl)-3-methyl-1,3,5-triazapenta-1,4-diene|2-Methyl-1,3-di(2,4-xylylimino)-2-azapropane|251-375-4|Amigard|Amitraz estrella|Amitraze|Amitrazum|Apivar ND|Azadieno|Azaform|Boots BTS 27419|Bovitraz|BRN 2946590|Caswell No. 374A|EC No.: 251-375-4|Ectodex|Edrizar|EINECS 251-375-4|Ektodex|EPA Pesticide Chemical Code 106201|Formamidine, N-methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)-|Fumilat A|Methanimidamide, N'-(2,4-dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]methyl]-N-methyl-|Mitaban|N-Methyl-bis(2,4-xylyliminomethyl)amin|N-Methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)formamidine|N-Methylbis(2,4-xylyliminomethyl)amine|N,N-Bis(2,4-xylyliminomethyl)methylamine|N,N-Di-(2,4-Xylyliminomethyl)methylamine|N,N'-((Methylimino)dimethylidyne)bis(2,4-xylidine)|N,N'-((Methylimino)dimethylidyne)di-2,4-xylidine|N,N'-(Methyliminodimethylidyne)bis-2,4-xylidine|N'-(2,4-Dimethylphenyl)-N-(((2,4-dimethylphenyl)imino)methyl)-N-methylmethanimidamide|N'-(2,4-Dimethylphenyl)-N-[(2,4-dimethylphenyl)imino]methyl-N-|51847-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023871
ERPathway2016 ERPathway2016_1454 Amitraz 33089-61-1 DTXSID5023871 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C=NC1=C(C)C=C(C)C=C1)C=NC1=C(C)C=C(C)C=C1 Amitraz 33089-61-1|Amitraz|1,5-Di(2,4-dimethylphenyl)-3-methyl-1,3,5-triazapenta-1,4-diene|2-Methyl-1,3-di(2,4-xylylimino)-2-azapropane|251-375-4|Amigard|Amitraz estrella|Amitraze|Amitrazum|Apivar ND|Azadieno|Azaform|Boots BTS 27419|Bovitraz|BRN 2946590|Caswell No. 374A|EC No.: 251-375-4|Ectodex|Edrizar|EINECS 251-375-4|Ektodex|EPA Pesticide Chemical Code 106201|Formamidine, N-methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)-|Fumilat A|Methanimidamide, N'-(2,4-dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]methyl]-N-methyl-|Mitaban|N-Methyl-bis(2,4-xylyliminomethyl)amin|N-Methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)formamidine|N-Methylbis(2,4-xylyliminomethyl)amine|N,N-Bis(2,4-xylyliminomethyl)methylamine|N,N-Di-(2,4-Xylyliminomethyl)methylamine|N,N'-((Methylimino)dimethylidyne)bis(2,4-xylidine)|N,N'-((Methylimino)dimethylidyne)di-2,4-xylidine|N,N'-(Methyliminodimethylidyne)bis-2,4-xylidine|N'-(2,4-Dimethylphenyl)-N-(((2,4-dimethylphenyl)imino)methyl)-N-methylmethanimidamide|N'-(2,4-Dimethylphenyl)-N-[(2,4-dimethylphenyl)imino]methyl-N-|51847-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023871
ERPathway2016 ERPathway2016_1454 Amitraz 33089-61-1 DTXSID5023871 ER Pathway Model, Agonist Call Inactive Unitless CN(C=NC1=C(C)C=C(C)C=C1)C=NC1=C(C)C=C(C)C=C1 Amitraz 33089-61-1|Amitraz|1,5-Di(2,4-dimethylphenyl)-3-methyl-1,3,5-triazapenta-1,4-diene|2-Methyl-1,3-di(2,4-xylylimino)-2-azapropane|251-375-4|Amigard|Amitraz estrella|Amitraze|Amitrazum|Apivar ND|Azadieno|Azaform|Boots BTS 27419|Bovitraz|BRN 2946590|Caswell No. 374A|EC No.: 251-375-4|Ectodex|Edrizar|EINECS 251-375-4|Ektodex|EPA Pesticide Chemical Code 106201|Formamidine, N-methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)-|Fumilat A|Methanimidamide, N'-(2,4-dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]methyl]-N-methyl-|Mitaban|N-Methyl-bis(2,4-xylyliminomethyl)amin|N-Methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)formamidine|N-Methylbis(2,4-xylyliminomethyl)amine|N,N-Bis(2,4-xylyliminomethyl)methylamine|N,N-Di-(2,4-Xylyliminomethyl)methylamine|N,N'-((Methylimino)dimethylidyne)bis(2,4-xylidine)|N,N'-((Methylimino)dimethylidyne)di-2,4-xylidine|N,N'-(Methyliminodimethylidyne)bis-2,4-xylidine|N'-(2,4-Dimethylphenyl)-N-(((2,4-dimethylphenyl)imino)methyl)-N-methylmethanimidamide|N'-(2,4-Dimethylphenyl)-N-[(2,4-dimethylphenyl)imino]methyl-N-|51847-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023871
ERPathway2016 ERPathway2016_1454 Amitraz 33089-61-1 DTXSID5023871 ER Pathway Model, Antagonist Call Inactive Unitless CN(C=NC1=C(C)C=C(C)C=C1)C=NC1=C(C)C=C(C)C=C1 Amitraz 33089-61-1|Amitraz|1,5-Di(2,4-dimethylphenyl)-3-methyl-1,3,5-triazapenta-1,4-diene|2-Methyl-1,3-di(2,4-xylylimino)-2-azapropane|251-375-4|Amigard|Amitraz estrella|Amitraze|Amitrazum|Apivar ND|Azadieno|Azaform|Boots BTS 27419|Bovitraz|BRN 2946590|Caswell No. 374A|EC No.: 251-375-4|Ectodex|Edrizar|EINECS 251-375-4|Ektodex|EPA Pesticide Chemical Code 106201|Formamidine, N-methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)-|Fumilat A|Methanimidamide, N'-(2,4-dimethylphenyl)-N-[[(2,4-dimethylphenyl)imino]methyl]-N-methyl-|Mitaban|N-Methyl-bis(2,4-xylyliminomethyl)amin|N-Methyl-N'-2,4-xylyl-N-(N-2,4-xylylformimidoyl)formamidine|N-Methylbis(2,4-xylyliminomethyl)amine|N,N-Bis(2,4-xylyliminomethyl)methylamine|N,N-Di-(2,4-Xylyliminomethyl)methylamine|N,N'-((Methylimino)dimethylidyne)bis(2,4-xylidine)|N,N'-((Methylimino)dimethylidyne)di-2,4-xylidine|N,N'-(Methyliminodimethylidyne)bis-2,4-xylidine|N'-(2,4-Dimethylphenyl)-N-(((2,4-dimethylphenyl)imino)methyl)-N-methylmethanimidamide|N'-(2,4-Dimethylphenyl)-N-[(2,4-dimethylphenyl)imino]methyl-N-|51847-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023871
ARPathway2016 ARPathway2016_1404 Amitrole 61-82-5 DTXSID0020076 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=NNC=N1 Amitrole 61-82-5|Amitrole|1H-1,2,4-Triazol-3-amine|1H-1,2,4-Triazol-3-ylamine|1H-1,2,4-Triazol-5-amine|1H-1,2,4-Triazolamine|1H-1,2,4-Triazole, 3-amino-|2-Amino-1,3,4-triazole|2-Aminotriazole|2,3,5,6-Tetraazabicyclo[2.1.1]hex-1-ene|3-Amino-1,2,4-triazole|3-Amino-1H-1,2,4-triazole|3-Amino-2H-1,2,4-triazole|3-Amino-s-triazole|3-Aminotriazole|5-Amino-1,2,4-triazole|5-Amino-1H-1,2,4-triazole|Amino triazole weedkiller 90|Aminotriazol-spritzpulver|Aminotriazole|Amitolamitril|Amitril T.L.|Amitrol|Amitrol T|Amitrol-T|amitrole|Amizol D|Amizol dp nau|Amizol F|Azaplant|Campaprim A 1544|Caswell No. 040|Cytrole|Diurol 5030|EC No.: 200-521-5|EINECS 200-521-5|Elmasil|Emisol F|EPA Pesticide Chemical Code 004401|Fenavar|Herbicide, Amino-1H-1,2,4-triazole, 3-|Herbidal total|Herbizole|Kleer-lot|NSC 34809|NSC 7243|Radoxone TL|Ramizol|RCRA waste number U011|s-Triazole, 3-amino-|Simazol|Triazolamine|TRIAZOLE (1,2,4), 3-AMINO-4H|UNII-ZF80H5GXUF|Vorox AA|Vorox AS|Weedar ADS|Weedar AT|Weedazin|Weedazin arginit|Weedazol|Weedazol GP2|Weedazol super|Weedazol T|W|1057722-43-6|11121-00-9|151517-46-3|155-25-9|16681-74-6|2356230-47-0|29212-82-6|30922-30-6|6051-75-8|63598-72-1|64598-23-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020076 https://doi.org/10.22427/NTP-DATA-DTXSID0020076
ARPathway2016 ARPathway2016_1404 Amitrole 61-82-5 DTXSID0020076 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=NNC=N1 Amitrole 61-82-5|Amitrole|1H-1,2,4-Triazol-3-amine|1H-1,2,4-Triazol-3-ylamine|1H-1,2,4-Triazol-5-amine|1H-1,2,4-Triazolamine|1H-1,2,4-Triazole, 3-amino-|2-Amino-1,3,4-triazole|2-Aminotriazole|2,3,5,6-Tetraazabicyclo[2.1.1]hex-1-ene|3-Amino-1,2,4-triazole|3-Amino-1H-1,2,4-triazole|3-Amino-2H-1,2,4-triazole|3-Amino-s-triazole|3-Aminotriazole|5-Amino-1,2,4-triazole|5-Amino-1H-1,2,4-triazole|Amino triazole weedkiller 90|Aminotriazol-spritzpulver|Aminotriazole|Amitolamitril|Amitril T.L.|Amitrol|Amitrol T|Amitrol-T|amitrole|Amizol D|Amizol dp nau|Amizol F|Azaplant|Campaprim A 1544|Caswell No. 040|Cytrole|Diurol 5030|EC No.: 200-521-5|EINECS 200-521-5|Elmasil|Emisol F|EPA Pesticide Chemical Code 004401|Fenavar|Herbicide, Amino-1H-1,2,4-triazole, 3-|Herbidal total|Herbizole|Kleer-lot|NSC 34809|NSC 7243|Radoxone TL|Ramizol|RCRA waste number U011|s-Triazole, 3-amino-|Simazol|Triazolamine|TRIAZOLE (1,2,4), 3-AMINO-4H|UNII-ZF80H5GXUF|Vorox AA|Vorox AS|Weedar ADS|Weedar AT|Weedazin|Weedazin arginit|Weedazol|Weedazol GP2|Weedazol super|Weedazol T|W|1057722-43-6|11121-00-9|151517-46-3|155-25-9|16681-74-6|2356230-47-0|29212-82-6|30922-30-6|6051-75-8|63598-72-1|64598-23-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020076 https://doi.org/10.22427/NTP-DATA-DTXSID0020076
ARPathway2016 ARPathway2016_1404 Amitrole 61-82-5 DTXSID0020076 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=NNC=N1 Amitrole 61-82-5|Amitrole|1H-1,2,4-Triazol-3-amine|1H-1,2,4-Triazol-3-ylamine|1H-1,2,4-Triazol-5-amine|1H-1,2,4-Triazolamine|1H-1,2,4-Triazole, 3-amino-|2-Amino-1,3,4-triazole|2-Aminotriazole|2,3,5,6-Tetraazabicyclo[2.1.1]hex-1-ene|3-Amino-1,2,4-triazole|3-Amino-1H-1,2,4-triazole|3-Amino-2H-1,2,4-triazole|3-Amino-s-triazole|3-Aminotriazole|5-Amino-1,2,4-triazole|5-Amino-1H-1,2,4-triazole|Amino triazole weedkiller 90|Aminotriazol-spritzpulver|Aminotriazole|Amitolamitril|Amitril T.L.|Amitrol|Amitrol T|Amitrol-T|amitrole|Amizol D|Amizol dp nau|Amizol F|Azaplant|Campaprim A 1544|Caswell No. 040|Cytrole|Diurol 5030|EC No.: 200-521-5|EINECS 200-521-5|Elmasil|Emisol F|EPA Pesticide Chemical Code 004401|Fenavar|Herbicide, Amino-1H-1,2,4-triazole, 3-|Herbidal total|Herbizole|Kleer-lot|NSC 34809|NSC 7243|Radoxone TL|Ramizol|RCRA waste number U011|s-Triazole, 3-amino-|Simazol|Triazolamine|TRIAZOLE (1,2,4), 3-AMINO-4H|UNII-ZF80H5GXUF|Vorox AA|Vorox AS|Weedar ADS|Weedar AT|Weedazin|Weedazin arginit|Weedazol|Weedazol GP2|Weedazol super|Weedazol T|W|1057722-43-6|11121-00-9|151517-46-3|155-25-9|16681-74-6|2356230-47-0|29212-82-6|30922-30-6|6051-75-8|63598-72-1|64598-23-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020076 https://doi.org/10.22427/NTP-DATA-DTXSID0020076
ARPathway2016 ARPathway2016_1404 Amitrole 61-82-5 DTXSID0020076 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=NNC=N1 Amitrole 61-82-5|Amitrole|1H-1,2,4-Triazol-3-amine|1H-1,2,4-Triazol-3-ylamine|1H-1,2,4-Triazol-5-amine|1H-1,2,4-Triazolamine|1H-1,2,4-Triazole, 3-amino-|2-Amino-1,3,4-triazole|2-Aminotriazole|2,3,5,6-Tetraazabicyclo[2.1.1]hex-1-ene|3-Amino-1,2,4-triazole|3-Amino-1H-1,2,4-triazole|3-Amino-2H-1,2,4-triazole|3-Amino-s-triazole|3-Aminotriazole|5-Amino-1,2,4-triazole|5-Amino-1H-1,2,4-triazole|Amino triazole weedkiller 90|Aminotriazol-spritzpulver|Aminotriazole|Amitolamitril|Amitril T.L.|Amitrol|Amitrol T|Amitrol-T|amitrole|Amizol D|Amizol dp nau|Amizol F|Azaplant|Campaprim A 1544|Caswell No. 040|Cytrole|Diurol 5030|EC No.: 200-521-5|EINECS 200-521-5|Elmasil|Emisol F|EPA Pesticide Chemical Code 004401|Fenavar|Herbicide, Amino-1H-1,2,4-triazole, 3-|Herbidal total|Herbizole|Kleer-lot|NSC 34809|NSC 7243|Radoxone TL|Ramizol|RCRA waste number U011|s-Triazole, 3-amino-|Simazol|Triazolamine|TRIAZOLE (1,2,4), 3-AMINO-4H|UNII-ZF80H5GXUF|Vorox AA|Vorox AS|Weedar ADS|Weedar AT|Weedazin|Weedazin arginit|Weedazol|Weedazol GP2|Weedazol super|Weedazol T|W|1057722-43-6|11121-00-9|151517-46-3|155-25-9|16681-74-6|2356230-47-0|29212-82-6|30922-30-6|6051-75-8|63598-72-1|64598-23-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020076 https://doi.org/10.22427/NTP-DATA-DTXSID0020076
ERPathway2016 ERPathway2016_871 Amitrole 61-82-5 DTXSID0020076 ER Pathway Model, Agonist Model Score 0 Unitless NC1=NNC=N1 Amitrole 61-82-5|Amitrole|1H-1,2,4-Triazol-3-amine|1H-1,2,4-Triazol-3-ylamine|1H-1,2,4-Triazol-5-amine|1H-1,2,4-Triazolamine|1H-1,2,4-Triazole, 3-amino-|2-Amino-1,3,4-triazole|2-Aminotriazole|2,3,5,6-Tetraazabicyclo[2.1.1]hex-1-ene|3-Amino-1,2,4-triazole|3-Amino-1H-1,2,4-triazole|3-Amino-2H-1,2,4-triazole|3-Amino-s-triazole|3-Aminotriazole|5-Amino-1,2,4-triazole|5-Amino-1H-1,2,4-triazole|Amino triazole weedkiller 90|Aminotriazol-spritzpulver|Aminotriazole|Amitolamitril|Amitril T.L.|Amitrol|Amitrol T|Amitrol-T|amitrole|Amizol D|Amizol dp nau|Amizol F|Azaplant|Campaprim A 1544|Caswell No. 040|Cytrole|Diurol 5030|EC No.: 200-521-5|EINECS 200-521-5|Elmasil|Emisol F|EPA Pesticide Chemical Code 004401|Fenavar|Herbicide, Amino-1H-1,2,4-triazole, 3-|Herbidal total|Herbizole|Kleer-lot|NSC 34809|NSC 7243|Radoxone TL|Ramizol|RCRA waste number U011|s-Triazole, 3-amino-|Simazol|Triazolamine|TRIAZOLE (1,2,4), 3-AMINO-4H|UNII-ZF80H5GXUF|Vorox AA|Vorox AS|Weedar ADS|Weedar AT|Weedazin|Weedazin arginit|Weedazol|Weedazol GP2|Weedazol super|Weedazol T|W|1057722-43-6|11121-00-9|151517-46-3|155-25-9|16681-74-6|2356230-47-0|29212-82-6|30922-30-6|6051-75-8|63598-72-1|64598-23-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020076 https://doi.org/10.22427/NTP-DATA-DTXSID0020076
ERPathway2016 ERPathway2016_871 Amitrole 61-82-5 DTXSID0020076 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=NNC=N1 Amitrole 61-82-5|Amitrole|1H-1,2,4-Triazol-3-amine|1H-1,2,4-Triazol-3-ylamine|1H-1,2,4-Triazol-5-amine|1H-1,2,4-Triazolamine|1H-1,2,4-Triazole, 3-amino-|2-Amino-1,3,4-triazole|2-Aminotriazole|2,3,5,6-Tetraazabicyclo[2.1.1]hex-1-ene|3-Amino-1,2,4-triazole|3-Amino-1H-1,2,4-triazole|3-Amino-2H-1,2,4-triazole|3-Amino-s-triazole|3-Aminotriazole|5-Amino-1,2,4-triazole|5-Amino-1H-1,2,4-triazole|Amino triazole weedkiller 90|Aminotriazol-spritzpulver|Aminotriazole|Amitolamitril|Amitril T.L.|Amitrol|Amitrol T|Amitrol-T|amitrole|Amizol D|Amizol dp nau|Amizol F|Azaplant|Campaprim A 1544|Caswell No. 040|Cytrole|Diurol 5030|EC No.: 200-521-5|EINECS 200-521-5|Elmasil|Emisol F|EPA Pesticide Chemical Code 004401|Fenavar|Herbicide, Amino-1H-1,2,4-triazole, 3-|Herbidal total|Herbizole|Kleer-lot|NSC 34809|NSC 7243|Radoxone TL|Ramizol|RCRA waste number U011|s-Triazole, 3-amino-|Simazol|Triazolamine|TRIAZOLE (1,2,4), 3-AMINO-4H|UNII-ZF80H5GXUF|Vorox AA|Vorox AS|Weedar ADS|Weedar AT|Weedazin|Weedazin arginit|Weedazol|Weedazol GP2|Weedazol super|Weedazol T|W|1057722-43-6|11121-00-9|151517-46-3|155-25-9|16681-74-6|2356230-47-0|29212-82-6|30922-30-6|6051-75-8|63598-72-1|64598-23-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020076 https://doi.org/10.22427/NTP-DATA-DTXSID0020076
ERPathway2016 ERPathway2016_871 Amitrole 61-82-5 DTXSID0020076 ER Pathway Model, Agonist Call Inactive Unitless NC1=NNC=N1 Amitrole 61-82-5|Amitrole|1H-1,2,4-Triazol-3-amine|1H-1,2,4-Triazol-3-ylamine|1H-1,2,4-Triazol-5-amine|1H-1,2,4-Triazolamine|1H-1,2,4-Triazole, 3-amino-|2-Amino-1,3,4-triazole|2-Aminotriazole|2,3,5,6-Tetraazabicyclo[2.1.1]hex-1-ene|3-Amino-1,2,4-triazole|3-Amino-1H-1,2,4-triazole|3-Amino-2H-1,2,4-triazole|3-Amino-s-triazole|3-Aminotriazole|5-Amino-1,2,4-triazole|5-Amino-1H-1,2,4-triazole|Amino triazole weedkiller 90|Aminotriazol-spritzpulver|Aminotriazole|Amitolamitril|Amitril T.L.|Amitrol|Amitrol T|Amitrol-T|amitrole|Amizol D|Amizol dp nau|Amizol F|Azaplant|Campaprim A 1544|Caswell No. 040|Cytrole|Diurol 5030|EC No.: 200-521-5|EINECS 200-521-5|Elmasil|Emisol F|EPA Pesticide Chemical Code 004401|Fenavar|Herbicide, Amino-1H-1,2,4-triazole, 3-|Herbidal total|Herbizole|Kleer-lot|NSC 34809|NSC 7243|Radoxone TL|Ramizol|RCRA waste number U011|s-Triazole, 3-amino-|Simazol|Triazolamine|TRIAZOLE (1,2,4), 3-AMINO-4H|UNII-ZF80H5GXUF|Vorox AA|Vorox AS|Weedar ADS|Weedar AT|Weedazin|Weedazin arginit|Weedazol|Weedazol GP2|Weedazol super|Weedazol T|W|1057722-43-6|11121-00-9|151517-46-3|155-25-9|16681-74-6|2356230-47-0|29212-82-6|30922-30-6|6051-75-8|63598-72-1|64598-23-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020076 https://doi.org/10.22427/NTP-DATA-DTXSID0020076
ERPathway2016 ERPathway2016_871 Amitrole 61-82-5 DTXSID0020076 ER Pathway Model, Antagonist Call Inactive Unitless NC1=NNC=N1 Amitrole 61-82-5|Amitrole|1H-1,2,4-Triazol-3-amine|1H-1,2,4-Triazol-3-ylamine|1H-1,2,4-Triazol-5-amine|1H-1,2,4-Triazolamine|1H-1,2,4-Triazole, 3-amino-|2-Amino-1,3,4-triazole|2-Aminotriazole|2,3,5,6-Tetraazabicyclo[2.1.1]hex-1-ene|3-Amino-1,2,4-triazole|3-Amino-1H-1,2,4-triazole|3-Amino-2H-1,2,4-triazole|3-Amino-s-triazole|3-Aminotriazole|5-Amino-1,2,4-triazole|5-Amino-1H-1,2,4-triazole|Amino triazole weedkiller 90|Aminotriazol-spritzpulver|Aminotriazole|Amitolamitril|Amitril T.L.|Amitrol|Amitrol T|Amitrol-T|amitrole|Amizol D|Amizol dp nau|Amizol F|Azaplant|Campaprim A 1544|Caswell No. 040|Cytrole|Diurol 5030|EC No.: 200-521-5|EINECS 200-521-5|Elmasil|Emisol F|EPA Pesticide Chemical Code 004401|Fenavar|Herbicide, Amino-1H-1,2,4-triazole, 3-|Herbidal total|Herbizole|Kleer-lot|NSC 34809|NSC 7243|Radoxone TL|Ramizol|RCRA waste number U011|s-Triazole, 3-amino-|Simazol|Triazolamine|TRIAZOLE (1,2,4), 3-AMINO-4H|UNII-ZF80H5GXUF|Vorox AA|Vorox AS|Weedar ADS|Weedar AT|Weedazin|Weedazin arginit|Weedazol|Weedazol GP2|Weedazol super|Weedazol T|W|1057722-43-6|11121-00-9|151517-46-3|155-25-9|16681-74-6|2356230-47-0|29212-82-6|30922-30-6|6051-75-8|63598-72-1|64598-23-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020076 https://doi.org/10.22427/NTP-DATA-DTXSID0020076
ARPathway2016 ARPathway2016_561 Ammonium carbamate 1111-78-0 DTXSID9027360 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [NH4+].NC([O-])=O Ammonium carbamate 1111-78-0|Ammonium carbamate|"Anhydride" of ammonium carbonate|Ammonium aminoformate|Carbamic acid, ammonium salt (1:1)|Carbamic acid, monoammonium salt|EINECS 214-185-2|UNII-I2W9615SWP|879665-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027360
ARPathway2016 ARPathway2016_561 Ammonium carbamate 1111-78-0 DTXSID9027360 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [NH4+].NC([O-])=O Ammonium carbamate 1111-78-0|Ammonium carbamate|"Anhydride" of ammonium carbonate|Ammonium aminoformate|Carbamic acid, ammonium salt (1:1)|Carbamic acid, monoammonium salt|EINECS 214-185-2|UNII-I2W9615SWP|879665-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027360
ARPathway2016 ARPathway2016_561 Ammonium carbamate 1111-78-0 DTXSID9027360 0.0 AR Pathway Model, Agonist Call Inactive Unitless [NH4+].NC([O-])=O Ammonium carbamate 1111-78-0|Ammonium carbamate|"Anhydride" of ammonium carbonate|Ammonium aminoformate|Carbamic acid, ammonium salt (1:1)|Carbamic acid, monoammonium salt|EINECS 214-185-2|UNII-I2W9615SWP|879665-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027360
ARPathway2016 ARPathway2016_561 Ammonium carbamate 1111-78-0 DTXSID9027360 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [NH4+].NC([O-])=O Ammonium carbamate 1111-78-0|Ammonium carbamate|"Anhydride" of ammonium carbonate|Ammonium aminoformate|Carbamic acid, ammonium salt (1:1)|Carbamic acid, monoammonium salt|EINECS 214-185-2|UNII-I2W9615SWP|879665-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027360
ERPathway2016 ERPathway2016_1147 Ammonium carbamate 1111-78-0 DTXSID9027360 ER Pathway Model, Agonist Model Score 0 Unitless [NH4+].NC([O-])=O Ammonium carbamate 1111-78-0|Ammonium carbamate|"Anhydride" of ammonium carbonate|Ammonium aminoformate|Carbamic acid, ammonium salt (1:1)|Carbamic acid, monoammonium salt|EINECS 214-185-2|UNII-I2W9615SWP|879665-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027360
ERPathway2016 ERPathway2016_1147 Ammonium carbamate 1111-78-0 DTXSID9027360 ER Pathway Model, Antagonist Model Score 0 Unitless [NH4+].NC([O-])=O Ammonium carbamate 1111-78-0|Ammonium carbamate|"Anhydride" of ammonium carbonate|Ammonium aminoformate|Carbamic acid, ammonium salt (1:1)|Carbamic acid, monoammonium salt|EINECS 214-185-2|UNII-I2W9615SWP|879665-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027360
ERPathway2016 ERPathway2016_1147 Ammonium carbamate 1111-78-0 DTXSID9027360 ER Pathway Model, Agonist Call Inactive Unitless [NH4+].NC([O-])=O Ammonium carbamate 1111-78-0|Ammonium carbamate|"Anhydride" of ammonium carbonate|Ammonium aminoformate|Carbamic acid, ammonium salt (1:1)|Carbamic acid, monoammonium salt|EINECS 214-185-2|UNII-I2W9615SWP|879665-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027360
ERPathway2016 ERPathway2016_1147 Ammonium carbamate 1111-78-0 DTXSID9027360 ER Pathway Model, Antagonist Call Inactive Unitless [NH4+].NC([O-])=O Ammonium carbamate 1111-78-0|Ammonium carbamate|"Anhydride" of ammonium carbonate|Ammonium aminoformate|Carbamic acid, ammonium salt (1:1)|Carbamic acid, monoammonium salt|EINECS 214-185-2|UNII-I2W9615SWP|879665-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027360
ARPathway2016 ARPathway2016_940 Ammonium isothiocyanate 1762-95-4 DTXSID3029653 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [NH4+].[S-]C#N Ammonium isothiocyanate 1762-95-4|Ammonium isothiocyanate|217-175-6|Ammonium cyanide sulfide (NH4CNS)|Ammonium isothiocyanate|Ammonium rhodanate|Ammonium rhodanide|Ammonium sulfocyanate|Ammonium sulfocyanide|ammonium thiocyanate|Ammonium Thiocyanate Crystals|Ammoniumrhodanid|Ammoniumthiocyanat|EC No.: 217-175-6|EINECS 217-175-6|NSC 31184|Rhodanid|Rhodanine, ammonium salt|Thiocyanate d'ammonium|Thiocyanic acid, ammonium salt|Thiocyanic acid, ammonium salt (1:1)|tiocianato de amonio|Trans-aid|UNII-YYL9152Z1Y|USAF EK-P-433|Weedazol tl|101218-28-4|113506-91-5|1147550-11-5|1189-67-9|14314-30-8|15268-45-8|1674-80-2|92568-90-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029653
ARPathway2016 ARPathway2016_940 Ammonium isothiocyanate 1762-95-4 DTXSID3029653 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [NH4+].[S-]C#N Ammonium isothiocyanate 1762-95-4|Ammonium isothiocyanate|217-175-6|Ammonium cyanide sulfide (NH4CNS)|Ammonium isothiocyanate|Ammonium rhodanate|Ammonium rhodanide|Ammonium sulfocyanate|Ammonium sulfocyanide|ammonium thiocyanate|Ammonium Thiocyanate Crystals|Ammoniumrhodanid|Ammoniumthiocyanat|EC No.: 217-175-6|EINECS 217-175-6|NSC 31184|Rhodanid|Rhodanine, ammonium salt|Thiocyanate d'ammonium|Thiocyanic acid, ammonium salt|Thiocyanic acid, ammonium salt (1:1)|tiocianato de amonio|Trans-aid|UNII-YYL9152Z1Y|USAF EK-P-433|Weedazol tl|101218-28-4|113506-91-5|1147550-11-5|1189-67-9|14314-30-8|15268-45-8|1674-80-2|92568-90-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029653
ARPathway2016 ARPathway2016_940 Ammonium isothiocyanate 1762-95-4 DTXSID3029653 0.0 AR Pathway Model, Agonist Call Inactive Unitless [NH4+].[S-]C#N Ammonium isothiocyanate 1762-95-4|Ammonium isothiocyanate|217-175-6|Ammonium cyanide sulfide (NH4CNS)|Ammonium isothiocyanate|Ammonium rhodanate|Ammonium rhodanide|Ammonium sulfocyanate|Ammonium sulfocyanide|ammonium thiocyanate|Ammonium Thiocyanate Crystals|Ammoniumrhodanid|Ammoniumthiocyanat|EC No.: 217-175-6|EINECS 217-175-6|NSC 31184|Rhodanid|Rhodanine, ammonium salt|Thiocyanate d'ammonium|Thiocyanic acid, ammonium salt|Thiocyanic acid, ammonium salt (1:1)|tiocianato de amonio|Trans-aid|UNII-YYL9152Z1Y|USAF EK-P-433|Weedazol tl|101218-28-4|113506-91-5|1147550-11-5|1189-67-9|14314-30-8|15268-45-8|1674-80-2|92568-90-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029653
ARPathway2016 ARPathway2016_940 Ammonium isothiocyanate 1762-95-4 DTXSID3029653 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [NH4+].[S-]C#N Ammonium isothiocyanate 1762-95-4|Ammonium isothiocyanate|217-175-6|Ammonium cyanide sulfide (NH4CNS)|Ammonium isothiocyanate|Ammonium rhodanate|Ammonium rhodanide|Ammonium sulfocyanate|Ammonium sulfocyanide|ammonium thiocyanate|Ammonium Thiocyanate Crystals|Ammoniumrhodanid|Ammoniumthiocyanat|EC No.: 217-175-6|EINECS 217-175-6|NSC 31184|Rhodanid|Rhodanine, ammonium salt|Thiocyanate d'ammonium|Thiocyanic acid, ammonium salt|Thiocyanic acid, ammonium salt (1:1)|tiocianato de amonio|Trans-aid|UNII-YYL9152Z1Y|USAF EK-P-433|Weedazol tl|101218-28-4|113506-91-5|1147550-11-5|1189-67-9|14314-30-8|15268-45-8|1674-80-2|92568-90-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029653
ERPathway2016 ERPathway2016_761 Ammonium isothiocyanate 1762-95-4 DTXSID3029653 A9 ER Pathway Model, Agonist Model Score 0 Unitless [NH4+].[S-]C#N Ammonium isothiocyanate 1762-95-4|Ammonium isothiocyanate|217-175-6|Ammonium cyanide sulfide (NH4CNS)|Ammonium isothiocyanate|Ammonium rhodanate|Ammonium rhodanide|Ammonium sulfocyanate|Ammonium sulfocyanide|ammonium thiocyanate|Ammonium Thiocyanate Crystals|Ammoniumrhodanid|Ammoniumthiocyanat|EC No.: 217-175-6|EINECS 217-175-6|NSC 31184|Rhodanid|Rhodanine, ammonium salt|Thiocyanate d'ammonium|Thiocyanic acid, ammonium salt|Thiocyanic acid, ammonium salt (1:1)|tiocianato de amonio|Trans-aid|UNII-YYL9152Z1Y|USAF EK-P-433|Weedazol tl|101218-28-4|113506-91-5|1147550-11-5|1189-67-9|14314-30-8|15268-45-8|1674-80-2|92568-90-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029653
ERPathway2016 ERPathway2016_761 Ammonium isothiocyanate 1762-95-4 DTXSID3029653 A9 ER Pathway Model, Antagonist Model Score 0 Unitless [NH4+].[S-]C#N Ammonium isothiocyanate 1762-95-4|Ammonium isothiocyanate|217-175-6|Ammonium cyanide sulfide (NH4CNS)|Ammonium isothiocyanate|Ammonium rhodanate|Ammonium rhodanide|Ammonium sulfocyanate|Ammonium sulfocyanide|ammonium thiocyanate|Ammonium Thiocyanate Crystals|Ammoniumrhodanid|Ammoniumthiocyanat|EC No.: 217-175-6|EINECS 217-175-6|NSC 31184|Rhodanid|Rhodanine, ammonium salt|Thiocyanate d'ammonium|Thiocyanic acid, ammonium salt|Thiocyanic acid, ammonium salt (1:1)|tiocianato de amonio|Trans-aid|UNII-YYL9152Z1Y|USAF EK-P-433|Weedazol tl|101218-28-4|113506-91-5|1147550-11-5|1189-67-9|14314-30-8|15268-45-8|1674-80-2|92568-90-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029653
ERPathway2016 ERPathway2016_761 Ammonium isothiocyanate 1762-95-4 DTXSID3029653 A9 ER Pathway Model, Agonist Call Inactive Unitless [NH4+].[S-]C#N Ammonium isothiocyanate 1762-95-4|Ammonium isothiocyanate|217-175-6|Ammonium cyanide sulfide (NH4CNS)|Ammonium isothiocyanate|Ammonium rhodanate|Ammonium rhodanide|Ammonium sulfocyanate|Ammonium sulfocyanide|ammonium thiocyanate|Ammonium Thiocyanate Crystals|Ammoniumrhodanid|Ammoniumthiocyanat|EC No.: 217-175-6|EINECS 217-175-6|NSC 31184|Rhodanid|Rhodanine, ammonium salt|Thiocyanate d'ammonium|Thiocyanic acid, ammonium salt|Thiocyanic acid, ammonium salt (1:1)|tiocianato de amonio|Trans-aid|UNII-YYL9152Z1Y|USAF EK-P-433|Weedazol tl|101218-28-4|113506-91-5|1147550-11-5|1189-67-9|14314-30-8|15268-45-8|1674-80-2|92568-90-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029653
ERPathway2016 ERPathway2016_761 Ammonium isothiocyanate 1762-95-4 DTXSID3029653 A9 ER Pathway Model, Antagonist Call Inactive Unitless [NH4+].[S-]C#N Ammonium isothiocyanate 1762-95-4|Ammonium isothiocyanate|217-175-6|Ammonium cyanide sulfide (NH4CNS)|Ammonium isothiocyanate|Ammonium rhodanate|Ammonium rhodanide|Ammonium sulfocyanate|Ammonium sulfocyanide|ammonium thiocyanate|Ammonium Thiocyanate Crystals|Ammoniumrhodanid|Ammoniumthiocyanat|EC No.: 217-175-6|EINECS 217-175-6|NSC 31184|Rhodanid|Rhodanine, ammonium salt|Thiocyanate d'ammonium|Thiocyanic acid, ammonium salt|Thiocyanic acid, ammonium salt (1:1)|tiocianato de amonio|Trans-aid|UNII-YYL9152Z1Y|USAF EK-P-433|Weedazol tl|101218-28-4|113506-91-5|1147550-11-5|1189-67-9|14314-30-8|15268-45-8|1674-80-2|92568-90-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029653
ARPathway2016 ARPathway2016_1183 Ammonium perfluorooctanoate 3825-26-1 DTXSID8037708 1.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless [NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Ammonium perfluorooctanoate 3825-26-1|Ammonium perfluorooctanoate|223-320-4|AFPO|Ammonium pentadecafluorooctanoate|Ammonium perfluorocaprylate|Ammonium salt of perfluorooctanoate|ammoniumpentadeca- fluorooctanoate|Ammoniumpentadecafluoroctanoat|AmPFOA|APFO|APFOA|CXR 1002|CXR-1002|EC No.: 223-320-4|EINECS 223-320-4|Fluorad FC 143|NH4-PFOA|NSC 35120|OCTANOATE, PENTADECAFLUORO-, AMMONIUM|Octanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- pentadecafluoro- , ammonium salt (1:1)|Octanoic acid, pentadecafluoro-, ammonium salt|Pentadecafluoro-1-octanoic acid, ammonium salt|Pentadecafluorooctanoate d'ammonium|pentadecafluorooctanoato de amonio|Pentadecafluorooctanoic acid ammonium salt|Perfluoroammonium octanoate|Perfluorooctanoic acid ammonium salt|Perfluorooctanoic acid, ammonium salt|PFOA-H3N|PFOA-NH4|PFOA, ammonium salt|PFOAA|T*PFOA|Unidyne DS 101|77751-76-9|95328-99-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037708
ARPathway2016 ARPathway2016_1183 Ammonium perfluorooctanoate 3825-26-1 DTXSID8037708 1.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless [NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Ammonium perfluorooctanoate 3825-26-1|Ammonium perfluorooctanoate|223-320-4|AFPO|Ammonium pentadecafluorooctanoate|Ammonium perfluorocaprylate|Ammonium salt of perfluorooctanoate|ammoniumpentadeca- fluorooctanoate|Ammoniumpentadecafluoroctanoat|AmPFOA|APFO|APFOA|CXR 1002|CXR-1002|EC No.: 223-320-4|EINECS 223-320-4|Fluorad FC 143|NH4-PFOA|NSC 35120|OCTANOATE, PENTADECAFLUORO-, AMMONIUM|Octanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- pentadecafluoro- , ammonium salt (1:1)|Octanoic acid, pentadecafluoro-, ammonium salt|Pentadecafluoro-1-octanoic acid, ammonium salt|Pentadecafluorooctanoate d'ammonium|pentadecafluorooctanoato de amonio|Pentadecafluorooctanoic acid ammonium salt|Perfluoroammonium octanoate|Perfluorooctanoic acid ammonium salt|Perfluorooctanoic acid, ammonium salt|PFOA-H3N|PFOA-NH4|PFOA, ammonium salt|PFOAA|T*PFOA|Unidyne DS 101|77751-76-9|95328-99-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037708
ARPathway2016 ARPathway2016_1183 Ammonium perfluorooctanoate 3825-26-1 DTXSID8037708 1.0 A3 AR Pathway Model, Agonist Call Inactive Unitless [NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Ammonium perfluorooctanoate 3825-26-1|Ammonium perfluorooctanoate|223-320-4|AFPO|Ammonium pentadecafluorooctanoate|Ammonium perfluorocaprylate|Ammonium salt of perfluorooctanoate|ammoniumpentadeca- fluorooctanoate|Ammoniumpentadecafluoroctanoat|AmPFOA|APFO|APFOA|CXR 1002|CXR-1002|EC No.: 223-320-4|EINECS 223-320-4|Fluorad FC 143|NH4-PFOA|NSC 35120|OCTANOATE, PENTADECAFLUORO-, AMMONIUM|Octanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- pentadecafluoro- , ammonium salt (1:1)|Octanoic acid, pentadecafluoro-, ammonium salt|Pentadecafluoro-1-octanoic acid, ammonium salt|Pentadecafluorooctanoate d'ammonium|pentadecafluorooctanoato de amonio|Pentadecafluorooctanoic acid ammonium salt|Perfluoroammonium octanoate|Perfluorooctanoic acid ammonium salt|Perfluorooctanoic acid, ammonium salt|PFOA-H3N|PFOA-NH4|PFOA, ammonium salt|PFOAA|T*PFOA|Unidyne DS 101|77751-76-9|95328-99-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037708
ARPathway2016 ARPathway2016_1183 Ammonium perfluorooctanoate 3825-26-1 DTXSID8037708 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless [NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Ammonium perfluorooctanoate 3825-26-1|Ammonium perfluorooctanoate|223-320-4|AFPO|Ammonium pentadecafluorooctanoate|Ammonium perfluorocaprylate|Ammonium salt of perfluorooctanoate|ammoniumpentadeca- fluorooctanoate|Ammoniumpentadecafluoroctanoat|AmPFOA|APFO|APFOA|CXR 1002|CXR-1002|EC No.: 223-320-4|EINECS 223-320-4|Fluorad FC 143|NH4-PFOA|NSC 35120|OCTANOATE, PENTADECAFLUORO-, AMMONIUM|Octanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- pentadecafluoro- , ammonium salt (1:1)|Octanoic acid, pentadecafluoro-, ammonium salt|Pentadecafluoro-1-octanoic acid, ammonium salt|Pentadecafluorooctanoate d'ammonium|pentadecafluorooctanoato de amonio|Pentadecafluorooctanoic acid ammonium salt|Perfluoroammonium octanoate|Perfluorooctanoic acid ammonium salt|Perfluorooctanoic acid, ammonium salt|PFOA-H3N|PFOA-NH4|PFOA, ammonium salt|PFOAA|T*PFOA|Unidyne DS 101|77751-76-9|95328-99-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037708
ERPathway2016 ERPathway2016_834 Ammonium perfluorooctanoate 3825-26-1 DTXSID8037708 ER Pathway Model, Agonist Model Score 0 Unitless [NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Ammonium perfluorooctanoate 3825-26-1|Ammonium perfluorooctanoate|223-320-4|AFPO|Ammonium pentadecafluorooctanoate|Ammonium perfluorocaprylate|Ammonium salt of perfluorooctanoate|ammoniumpentadeca- fluorooctanoate|Ammoniumpentadecafluoroctanoat|AmPFOA|APFO|APFOA|CXR 1002|CXR-1002|EC No.: 223-320-4|EINECS 223-320-4|Fluorad FC 143|NH4-PFOA|NSC 35120|OCTANOATE, PENTADECAFLUORO-, AMMONIUM|Octanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- pentadecafluoro- , ammonium salt (1:1)|Octanoic acid, pentadecafluoro-, ammonium salt|Pentadecafluoro-1-octanoic acid, ammonium salt|Pentadecafluorooctanoate d'ammonium|pentadecafluorooctanoato de amonio|Pentadecafluorooctanoic acid ammonium salt|Perfluoroammonium octanoate|Perfluorooctanoic acid ammonium salt|Perfluorooctanoic acid, ammonium salt|PFOA-H3N|PFOA-NH4|PFOA, ammonium salt|PFOAA|T*PFOA|Unidyne DS 101|77751-76-9|95328-99-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037708
ERPathway2016 ERPathway2016_834 Ammonium perfluorooctanoate 3825-26-1 DTXSID8037708 ER Pathway Model, Antagonist Model Score 0 Unitless [NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Ammonium perfluorooctanoate 3825-26-1|Ammonium perfluorooctanoate|223-320-4|AFPO|Ammonium pentadecafluorooctanoate|Ammonium perfluorocaprylate|Ammonium salt of perfluorooctanoate|ammoniumpentadeca- fluorooctanoate|Ammoniumpentadecafluoroctanoat|AmPFOA|APFO|APFOA|CXR 1002|CXR-1002|EC No.: 223-320-4|EINECS 223-320-4|Fluorad FC 143|NH4-PFOA|NSC 35120|OCTANOATE, PENTADECAFLUORO-, AMMONIUM|Octanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- pentadecafluoro- , ammonium salt (1:1)|Octanoic acid, pentadecafluoro-, ammonium salt|Pentadecafluoro-1-octanoic acid, ammonium salt|Pentadecafluorooctanoate d'ammonium|pentadecafluorooctanoato de amonio|Pentadecafluorooctanoic acid ammonium salt|Perfluoroammonium octanoate|Perfluorooctanoic acid ammonium salt|Perfluorooctanoic acid, ammonium salt|PFOA-H3N|PFOA-NH4|PFOA, ammonium salt|PFOAA|T*PFOA|Unidyne DS 101|77751-76-9|95328-99-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037708
ERPathway2016 ERPathway2016_834 Ammonium perfluorooctanoate 3825-26-1 DTXSID8037708 ER Pathway Model, Agonist Call Inactive Unitless [NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Ammonium perfluorooctanoate 3825-26-1|Ammonium perfluorooctanoate|223-320-4|AFPO|Ammonium pentadecafluorooctanoate|Ammonium perfluorocaprylate|Ammonium salt of perfluorooctanoate|ammoniumpentadeca- fluorooctanoate|Ammoniumpentadecafluoroctanoat|AmPFOA|APFO|APFOA|CXR 1002|CXR-1002|EC No.: 223-320-4|EINECS 223-320-4|Fluorad FC 143|NH4-PFOA|NSC 35120|OCTANOATE, PENTADECAFLUORO-, AMMONIUM|Octanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- pentadecafluoro- , ammonium salt (1:1)|Octanoic acid, pentadecafluoro-, ammonium salt|Pentadecafluoro-1-octanoic acid, ammonium salt|Pentadecafluorooctanoate d'ammonium|pentadecafluorooctanoato de amonio|Pentadecafluorooctanoic acid ammonium salt|Perfluoroammonium octanoate|Perfluorooctanoic acid ammonium salt|Perfluorooctanoic acid, ammonium salt|PFOA-H3N|PFOA-NH4|PFOA, ammonium salt|PFOAA|T*PFOA|Unidyne DS 101|77751-76-9|95328-99-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037708
ERPathway2016 ERPathway2016_834 Ammonium perfluorooctanoate 3825-26-1 DTXSID8037708 ER Pathway Model, Antagonist Call Inactive Unitless [NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Ammonium perfluorooctanoate 3825-26-1|Ammonium perfluorooctanoate|223-320-4|AFPO|Ammonium pentadecafluorooctanoate|Ammonium perfluorocaprylate|Ammonium salt of perfluorooctanoate|ammoniumpentadeca- fluorooctanoate|Ammoniumpentadecafluoroctanoat|AmPFOA|APFO|APFOA|CXR 1002|CXR-1002|EC No.: 223-320-4|EINECS 223-320-4|Fluorad FC 143|NH4-PFOA|NSC 35120|OCTANOATE, PENTADECAFLUORO-, AMMONIUM|Octanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- pentadecafluoro- , ammonium salt (1:1)|Octanoic acid, pentadecafluoro-, ammonium salt|Pentadecafluoro-1-octanoic acid, ammonium salt|Pentadecafluorooctanoate d'ammonium|pentadecafluorooctanoato de amonio|Pentadecafluorooctanoic acid ammonium salt|Perfluoroammonium octanoate|Perfluorooctanoic acid ammonium salt|Perfluorooctanoic acid, ammonium salt|PFOA-H3N|PFOA-NH4|PFOA, ammonium salt|PFOAA|T*PFOA|Unidyne DS 101|77751-76-9|95328-99-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037708
ARPathway2016 ARPathway2016_1555 Ammonium sulfamate 7773-06-0 DTXSID5023875 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [NH4+].NS([O-])(=O)=O Ammonium sulfamate 7773-06-0|Ammonium sulfamate|Ammate X|Ammonium amidosulfate|Ammonium amidosulfonate|Ammonium amidosulphate|Ammonium aminosulfonate|Ammonium sulfamidate|Ammonium sulphamate|ammonium sulphamidate|Ammoniumsalz der amidosulfonsaure|AMMONIUMSULFAMAT|Ammoniumsulfamidat|AMS (salt)|Caswell No. 047|EINECS 231-871-7|EPA Pesticide Chemical Code 005501|Feliderm K|Fyran 200 K|Monoammonium sulfamate|Sulfamate d'ammonium|Sulfamic acid, ammonium salt|Sulfamic acid, ammonium salt (1:1)|Sulfamic acid, monoammonium salt|Sulfamidate d'ammonium|sulfamidato de amonio|Sulfaminsaure|UNII-945C6IU09L|13765-36-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023875
ARPathway2016 ARPathway2016_1555 Ammonium sulfamate 7773-06-0 DTXSID5023875 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [NH4+].NS([O-])(=O)=O Ammonium sulfamate 7773-06-0|Ammonium sulfamate|Ammate X|Ammonium amidosulfate|Ammonium amidosulfonate|Ammonium amidosulphate|Ammonium aminosulfonate|Ammonium sulfamidate|Ammonium sulphamate|ammonium sulphamidate|Ammoniumsalz der amidosulfonsaure|AMMONIUMSULFAMAT|Ammoniumsulfamidat|AMS (salt)|Caswell No. 047|EINECS 231-871-7|EPA Pesticide Chemical Code 005501|Feliderm K|Fyran 200 K|Monoammonium sulfamate|Sulfamate d'ammonium|Sulfamic acid, ammonium salt|Sulfamic acid, ammonium salt (1:1)|Sulfamic acid, monoammonium salt|Sulfamidate d'ammonium|sulfamidato de amonio|Sulfaminsaure|UNII-945C6IU09L|13765-36-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023875
ARPathway2016 ARPathway2016_1555 Ammonium sulfamate 7773-06-0 DTXSID5023875 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [NH4+].NS([O-])(=O)=O Ammonium sulfamate 7773-06-0|Ammonium sulfamate|Ammate X|Ammonium amidosulfate|Ammonium amidosulfonate|Ammonium amidosulphate|Ammonium aminosulfonate|Ammonium sulfamidate|Ammonium sulphamate|ammonium sulphamidate|Ammoniumsalz der amidosulfonsaure|AMMONIUMSULFAMAT|Ammoniumsulfamidat|AMS (salt)|Caswell No. 047|EINECS 231-871-7|EPA Pesticide Chemical Code 005501|Feliderm K|Fyran 200 K|Monoammonium sulfamate|Sulfamate d'ammonium|Sulfamic acid, ammonium salt|Sulfamic acid, ammonium salt (1:1)|Sulfamic acid, monoammonium salt|Sulfamidate d'ammonium|sulfamidato de amonio|Sulfaminsaure|UNII-945C6IU09L|13765-36-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023875
ARPathway2016 ARPathway2016_1555 Ammonium sulfamate 7773-06-0 DTXSID5023875 0.0 AR Pathway Model, Agonist Call Inactive Unitless [NH4+].NS([O-])(=O)=O Ammonium sulfamate 7773-06-0|Ammonium sulfamate|Ammate X|Ammonium amidosulfate|Ammonium amidosulfonate|Ammonium amidosulphate|Ammonium aminosulfonate|Ammonium sulfamidate|Ammonium sulphamate|ammonium sulphamidate|Ammoniumsalz der amidosulfonsaure|AMMONIUMSULFAMAT|Ammoniumsulfamidat|AMS (salt)|Caswell No. 047|EINECS 231-871-7|EPA Pesticide Chemical Code 005501|Feliderm K|Fyran 200 K|Monoammonium sulfamate|Sulfamate d'ammonium|Sulfamic acid, ammonium salt|Sulfamic acid, ammonium salt (1:1)|Sulfamic acid, monoammonium salt|Sulfamidate d'ammonium|sulfamidato de amonio|Sulfaminsaure|UNII-945C6IU09L|13765-36-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023875
ERPathway2016 ERPathway2016_700 Ammonium sulfamate 7773-06-0 DTXSID5023875 A10 ER Pathway Model, Agonist Model Score 0 Unitless [NH4+].NS([O-])(=O)=O Ammonium sulfamate 7773-06-0|Ammonium sulfamate|Ammate X|Ammonium amidosulfate|Ammonium amidosulfonate|Ammonium amidosulphate|Ammonium aminosulfonate|Ammonium sulfamidate|Ammonium sulphamate|ammonium sulphamidate|Ammoniumsalz der amidosulfonsaure|AMMONIUMSULFAMAT|Ammoniumsulfamidat|AMS (salt)|Caswell No. 047|EINECS 231-871-7|EPA Pesticide Chemical Code 005501|Feliderm K|Fyran 200 K|Monoammonium sulfamate|Sulfamate d'ammonium|Sulfamic acid, ammonium salt|Sulfamic acid, ammonium salt (1:1)|Sulfamic acid, monoammonium salt|Sulfamidate d'ammonium|sulfamidato de amonio|Sulfaminsaure|UNII-945C6IU09L|13765-36-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023875
ERPathway2016 ERPathway2016_700 Ammonium sulfamate 7773-06-0 DTXSID5023875 A10 ER Pathway Model, Antagonist Model Score 0 Unitless [NH4+].NS([O-])(=O)=O Ammonium sulfamate 7773-06-0|Ammonium sulfamate|Ammate X|Ammonium amidosulfate|Ammonium amidosulfonate|Ammonium amidosulphate|Ammonium aminosulfonate|Ammonium sulfamidate|Ammonium sulphamate|ammonium sulphamidate|Ammoniumsalz der amidosulfonsaure|AMMONIUMSULFAMAT|Ammoniumsulfamidat|AMS (salt)|Caswell No. 047|EINECS 231-871-7|EPA Pesticide Chemical Code 005501|Feliderm K|Fyran 200 K|Monoammonium sulfamate|Sulfamate d'ammonium|Sulfamic acid, ammonium salt|Sulfamic acid, ammonium salt (1:1)|Sulfamic acid, monoammonium salt|Sulfamidate d'ammonium|sulfamidato de amonio|Sulfaminsaure|UNII-945C6IU09L|13765-36-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023875
ERPathway2016 ERPathway2016_700 Ammonium sulfamate 7773-06-0 DTXSID5023875 A10 ER Pathway Model, Agonist Call Inactive Unitless [NH4+].NS([O-])(=O)=O Ammonium sulfamate 7773-06-0|Ammonium sulfamate|Ammate X|Ammonium amidosulfate|Ammonium amidosulfonate|Ammonium amidosulphate|Ammonium aminosulfonate|Ammonium sulfamidate|Ammonium sulphamate|ammonium sulphamidate|Ammoniumsalz der amidosulfonsaure|AMMONIUMSULFAMAT|Ammoniumsulfamidat|AMS (salt)|Caswell No. 047|EINECS 231-871-7|EPA Pesticide Chemical Code 005501|Feliderm K|Fyran 200 K|Monoammonium sulfamate|Sulfamate d'ammonium|Sulfamic acid, ammonium salt|Sulfamic acid, ammonium salt (1:1)|Sulfamic acid, monoammonium salt|Sulfamidate d'ammonium|sulfamidato de amonio|Sulfaminsaure|UNII-945C6IU09L|13765-36-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023875
ERPathway2016 ERPathway2016_700 Ammonium sulfamate 7773-06-0 DTXSID5023875 A10 ER Pathway Model, Antagonist Call Inactive Unitless [NH4+].NS([O-])(=O)=O Ammonium sulfamate 7773-06-0|Ammonium sulfamate|Ammate X|Ammonium amidosulfate|Ammonium amidosulfonate|Ammonium amidosulphate|Ammonium aminosulfonate|Ammonium sulfamidate|Ammonium sulphamate|ammonium sulphamidate|Ammoniumsalz der amidosulfonsaure|AMMONIUMSULFAMAT|Ammoniumsulfamidat|AMS (salt)|Caswell No. 047|EINECS 231-871-7|EPA Pesticide Chemical Code 005501|Feliderm K|Fyran 200 K|Monoammonium sulfamate|Sulfamate d'ammonium|Sulfamic acid, ammonium salt|Sulfamic acid, ammonium salt (1:1)|Sulfamic acid, monoammonium salt|Sulfamidate d'ammonium|sulfamidato de amonio|Sulfaminsaure|UNII-945C6IU09L|13765-36-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023875
ARPathway2016 ARPathway2016_1075 Ammonium xylene sulfonate 26447-10-9 DTXSID1027899 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [NH4+].C*.C*.[O-]S(=O)(=O)C1=CC=CC=C1 |c:8,10,t:6,lp:5:3,7:2,8:2,m:2:10.14.11.13.12,4:10.14.11.13.12| Ammonium xylene sulfonate 26447-10-9|Ammonium xylene sulfonate|Ammonium xylenesulfonate|ammonium xylenesulphonate|Ammoniumxylolsulfonat|Benzenesulfonic acid, dimethyl-, ammonium salt|Benzenesulfonic acid, dimethyl-, ammonium salt (1:1)|Cyclophil AXS 40|Dimethylbenzenesulfonic acid ammonium salt|EINECS 247-710-9|Stepanate AM|Stepanate AXS|UNII-4FZY6L6XCM|xilenosulfonato de amonio|XYLENE SULFONATE, AMMONIUM|Xylenesulfonate d'ammonium|Xylenesulfonic acid, ammonium salt|127579-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027899
ARPathway2016 ARPathway2016_1075 Ammonium xylene sulfonate 26447-10-9 DTXSID1027899 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [NH4+].C*.C*.[O-]S(=O)(=O)C1=CC=CC=C1 |c:8,10,t:6,lp:5:3,7:2,8:2,m:2:10.14.11.13.12,4:10.14.11.13.12| Ammonium xylene sulfonate 26447-10-9|Ammonium xylene sulfonate|Ammonium xylenesulfonate|ammonium xylenesulphonate|Ammoniumxylolsulfonat|Benzenesulfonic acid, dimethyl-, ammonium salt|Benzenesulfonic acid, dimethyl-, ammonium salt (1:1)|Cyclophil AXS 40|Dimethylbenzenesulfonic acid ammonium salt|EINECS 247-710-9|Stepanate AM|Stepanate AXS|UNII-4FZY6L6XCM|xilenosulfonato de amonio|XYLENE SULFONATE, AMMONIUM|Xylenesulfonate d'ammonium|Xylenesulfonic acid, ammonium salt|127579-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027899
ARPathway2016 ARPathway2016_1075 Ammonium xylene sulfonate 26447-10-9 DTXSID1027899 0.0 AR Pathway Model, Agonist Call Inactive Unitless [NH4+].C*.C*.[O-]S(=O)(=O)C1=CC=CC=C1 |c:8,10,t:6,lp:5:3,7:2,8:2,m:2:10.14.11.13.12,4:10.14.11.13.12| Ammonium xylene sulfonate 26447-10-9|Ammonium xylene sulfonate|Ammonium xylenesulfonate|ammonium xylenesulphonate|Ammoniumxylolsulfonat|Benzenesulfonic acid, dimethyl-, ammonium salt|Benzenesulfonic acid, dimethyl-, ammonium salt (1:1)|Cyclophil AXS 40|Dimethylbenzenesulfonic acid ammonium salt|EINECS 247-710-9|Stepanate AM|Stepanate AXS|UNII-4FZY6L6XCM|xilenosulfonato de amonio|XYLENE SULFONATE, AMMONIUM|Xylenesulfonate d'ammonium|Xylenesulfonic acid, ammonium salt|127579-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027899
ARPathway2016 ARPathway2016_1075 Ammonium xylene sulfonate 26447-10-9 DTXSID1027899 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [NH4+].C*.C*.[O-]S(=O)(=O)C1=CC=CC=C1 |c:8,10,t:6,lp:5:3,7:2,8:2,m:2:10.14.11.13.12,4:10.14.11.13.12| Ammonium xylene sulfonate 26447-10-9|Ammonium xylene sulfonate|Ammonium xylenesulfonate|ammonium xylenesulphonate|Ammoniumxylolsulfonat|Benzenesulfonic acid, dimethyl-, ammonium salt|Benzenesulfonic acid, dimethyl-, ammonium salt (1:1)|Cyclophil AXS 40|Dimethylbenzenesulfonic acid ammonium salt|EINECS 247-710-9|Stepanate AM|Stepanate AXS|UNII-4FZY6L6XCM|xilenosulfonato de amonio|XYLENE SULFONATE, AMMONIUM|Xylenesulfonate d'ammonium|Xylenesulfonic acid, ammonium salt|127579-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027899
ERPathway2016 ERPathway2016_718 Ammonium xylene sulfonate 26447-10-9 DTXSID1027899 A9 ER Pathway Model, Agonist Model Score 0 Unitless [NH4+].C*.C*.[O-]S(=O)(=O)C1=CC=CC=C1 |c:8,10,t:6,lp:5:3,7:2,8:2,m:2:10.14.11.13.12,4:10.14.11.13.12| Ammonium xylene sulfonate 26447-10-9|Ammonium xylene sulfonate|Ammonium xylenesulfonate|ammonium xylenesulphonate|Ammoniumxylolsulfonat|Benzenesulfonic acid, dimethyl-, ammonium salt|Benzenesulfonic acid, dimethyl-, ammonium salt (1:1)|Cyclophil AXS 40|Dimethylbenzenesulfonic acid ammonium salt|EINECS 247-710-9|Stepanate AM|Stepanate AXS|UNII-4FZY6L6XCM|xilenosulfonato de amonio|XYLENE SULFONATE, AMMONIUM|Xylenesulfonate d'ammonium|Xylenesulfonic acid, ammonium salt|127579-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027899
ERPathway2016 ERPathway2016_718 Ammonium xylene sulfonate 26447-10-9 DTXSID1027899 A9 ER Pathway Model, Antagonist Model Score 0 Unitless [NH4+].C*.C*.[O-]S(=O)(=O)C1=CC=CC=C1 |c:8,10,t:6,lp:5:3,7:2,8:2,m:2:10.14.11.13.12,4:10.14.11.13.12| Ammonium xylene sulfonate 26447-10-9|Ammonium xylene sulfonate|Ammonium xylenesulfonate|ammonium xylenesulphonate|Ammoniumxylolsulfonat|Benzenesulfonic acid, dimethyl-, ammonium salt|Benzenesulfonic acid, dimethyl-, ammonium salt (1:1)|Cyclophil AXS 40|Dimethylbenzenesulfonic acid ammonium salt|EINECS 247-710-9|Stepanate AM|Stepanate AXS|UNII-4FZY6L6XCM|xilenosulfonato de amonio|XYLENE SULFONATE, AMMONIUM|Xylenesulfonate d'ammonium|Xylenesulfonic acid, ammonium salt|127579-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027899
ERPathway2016 ERPathway2016_718 Ammonium xylene sulfonate 26447-10-9 DTXSID1027899 A9 ER Pathway Model, Agonist Call Inactive Unitless [NH4+].C*.C*.[O-]S(=O)(=O)C1=CC=CC=C1 |c:8,10,t:6,lp:5:3,7:2,8:2,m:2:10.14.11.13.12,4:10.14.11.13.12| Ammonium xylene sulfonate 26447-10-9|Ammonium xylene sulfonate|Ammonium xylenesulfonate|ammonium xylenesulphonate|Ammoniumxylolsulfonat|Benzenesulfonic acid, dimethyl-, ammonium salt|Benzenesulfonic acid, dimethyl-, ammonium salt (1:1)|Cyclophil AXS 40|Dimethylbenzenesulfonic acid ammonium salt|EINECS 247-710-9|Stepanate AM|Stepanate AXS|UNII-4FZY6L6XCM|xilenosulfonato de amonio|XYLENE SULFONATE, AMMONIUM|Xylenesulfonate d'ammonium|Xylenesulfonic acid, ammonium salt|127579-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027899
ERPathway2016 ERPathway2016_718 Ammonium xylene sulfonate 26447-10-9 DTXSID1027899 A9 ER Pathway Model, Antagonist Call Inactive Unitless [NH4+].C*.C*.[O-]S(=O)(=O)C1=CC=CC=C1 |c:8,10,t:6,lp:5:3,7:2,8:2,m:2:10.14.11.13.12,4:10.14.11.13.12| Ammonium xylene sulfonate 26447-10-9|Ammonium xylene sulfonate|Ammonium xylenesulfonate|ammonium xylenesulphonate|Ammoniumxylolsulfonat|Benzenesulfonic acid, dimethyl-, ammonium salt|Benzenesulfonic acid, dimethyl-, ammonium salt (1:1)|Cyclophil AXS 40|Dimethylbenzenesulfonic acid ammonium salt|EINECS 247-710-9|Stepanate AM|Stepanate AXS|UNII-4FZY6L6XCM|xilenosulfonato de amonio|XYLENE SULFONATE, AMMONIUM|Xylenesulfonate d'ammonium|Xylenesulfonic acid, ammonium salt|127579-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027899
ARPathway2016 ARPathway2016_669 Anastrozole 120511-73-1 DTXSID9022607 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N Anastrozole 120511-73-1|Anastrozole|1,3-Benzenediacetonitrile, a,a,a',a'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-|alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile|Anastrazole|Anastrozol|Arimidex|Asiolex|UNII-2Z07MYW1AZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022607
ARPathway2016 ARPathway2016_669 Anastrozole 120511-73-1 DTXSID9022607 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N Anastrozole 120511-73-1|Anastrozole|1,3-Benzenediacetonitrile, a,a,a',a'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-|alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile|Anastrazole|Anastrozol|Arimidex|Asiolex|UNII-2Z07MYW1AZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022607
ARPathway2016 ARPathway2016_669 Anastrozole 120511-73-1 DTXSID9022607 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N Anastrozole 120511-73-1|Anastrozole|1,3-Benzenediacetonitrile, a,a,a',a'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-|alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile|Anastrazole|Anastrozol|Arimidex|Asiolex|UNII-2Z07MYW1AZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022607
ARPathway2016 ARPathway2016_669 Anastrozole 120511-73-1 DTXSID9022607 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N Anastrozole 120511-73-1|Anastrozole|1,3-Benzenediacetonitrile, a,a,a',a'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-|alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile|Anastrazole|Anastrozol|Arimidex|Asiolex|UNII-2Z07MYW1AZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022607
ERPathway2016 ERPathway2016_339 Anastrozole 120511-73-1 DTXSID9022607 ER Pathway Model, Antagonist AC50 18.5771499265447 uM CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N Anastrozole 120511-73-1|Anastrozole|1,3-Benzenediacetonitrile, a,a,a',a'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-|alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile|Anastrazole|Anastrozol|Arimidex|Asiolex|UNII-2Z07MYW1AZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022607
ERPathway2016 ERPathway2016_339 Anastrozole 120511-73-1 DTXSID9022607 ER Pathway Model, Antagonist ACC 1.35702850052793 uM CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N Anastrozole 120511-73-1|Anastrozole|1,3-Benzenediacetonitrile, a,a,a',a'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-|alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile|Anastrazole|Anastrozol|Arimidex|Asiolex|UNII-2Z07MYW1AZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022607
ERPathway2016 ERPathway2016_339 Anastrozole 120511-73-1 DTXSID9022607 ER Pathway Model, Agonist Model Score 0.0201 Unitless CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N Anastrozole 120511-73-1|Anastrozole|1,3-Benzenediacetonitrile, a,a,a',a'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-|alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile|Anastrazole|Anastrozol|Arimidex|Asiolex|UNII-2Z07MYW1AZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022607
ERPathway2016 ERPathway2016_339 Anastrozole 120511-73-1 DTXSID9022607 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N Anastrozole 120511-73-1|Anastrozole|1,3-Benzenediacetonitrile, a,a,a',a'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-|alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile|Anastrazole|Anastrozol|Arimidex|Asiolex|UNII-2Z07MYW1AZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022607
ERPathway2016 ERPathway2016_339 Anastrozole 120511-73-1 DTXSID9022607 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N Anastrozole 120511-73-1|Anastrozole|1,3-Benzenediacetonitrile, a,a,a',a'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-|alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile|Anastrazole|Anastrozol|Arimidex|Asiolex|UNII-2Z07MYW1AZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022607
ERPathway2016 ERPathway2016_339 Anastrozole 120511-73-1 DTXSID9022607 ER Pathway Model, Antagonist Call Active Unitless CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N Anastrozole 120511-73-1|Anastrozole|1,3-Benzenediacetonitrile, a,a,a',a'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-|alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile|Anastrazole|Anastrozol|Arimidex|Asiolex|UNII-2Z07MYW1AZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022607
ARPathway2016 ARPathway2016_408 Anilazine 101-05-3 DTXSID9020089 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=CC=C1NC1=NC(Cl)=NC(Cl)=N1 Anilazine 101-05-3|Anilazine|(o-Chloroanilino)dichlorotriazine|1,3,5-Triazin-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-|1,3,5-Triazine-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-|2-(2-Chloranilin)-4,6-dichlor-1,3,5-triazin|2-(2-Chloroanilino)-4,6-dichloro-s-triazine|2-(2'-Chloroanilino)-4,6-dichloro-s-triazine|2-(o-Chloroanilino)-4,6-dichloro-1,3,5-triazine|2-Chloro-N-(4,6-dichloro-1,3,5-triazin-2-yl)aniline|2,4-Dichloro-6-(2-chloranilino)-s-triazine|2,4-Dichloro-6-(2-chloroanilino)-1,3,5-triazine|2,4-Dichloro-6-(o-chloroanilino)-1,3,5-triazine|2,4-Dichloro-6-(o-chloroanilino)-s-triazine|2,4-Dichloro-6-(o-chlorophenyl)amino-s-triazine|2,4-Dichloro-6-o-chloranilino-s-triazine|4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine|5-26-08-00019|Anilazin|anilazina|Aniyaline|Bortrysan|BRN 0223133|Caswell No. 302|Dyrene|Dyrene Flussig|EINECS 202-910-5|EPA Pesticide Chemical Code 080811|NCI-C08684|NSC 3851|Pesticide, triazine|s-Triazine, 2,4-dichloro-6-(o-chloroanilino)-|Triasym|Triasyn|Triazin|UNII-C6E8Y03ZJN|Zinochlor|1135442-71-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020089 https://doi.org/10.22427/NTP-DATA-DTXSID9020089
ARPathway2016 ARPathway2016_408 Anilazine 101-05-3 DTXSID9020089 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=CC=C1NC1=NC(Cl)=NC(Cl)=N1 Anilazine 101-05-3|Anilazine|(o-Chloroanilino)dichlorotriazine|1,3,5-Triazin-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-|1,3,5-Triazine-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-|2-(2-Chloranilin)-4,6-dichlor-1,3,5-triazin|2-(2-Chloroanilino)-4,6-dichloro-s-triazine|2-(2'-Chloroanilino)-4,6-dichloro-s-triazine|2-(o-Chloroanilino)-4,6-dichloro-1,3,5-triazine|2-Chloro-N-(4,6-dichloro-1,3,5-triazin-2-yl)aniline|2,4-Dichloro-6-(2-chloranilino)-s-triazine|2,4-Dichloro-6-(2-chloroanilino)-1,3,5-triazine|2,4-Dichloro-6-(o-chloroanilino)-1,3,5-triazine|2,4-Dichloro-6-(o-chloroanilino)-s-triazine|2,4-Dichloro-6-(o-chlorophenyl)amino-s-triazine|2,4-Dichloro-6-o-chloranilino-s-triazine|4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine|5-26-08-00019|Anilazin|anilazina|Aniyaline|Bortrysan|BRN 0223133|Caswell No. 302|Dyrene|Dyrene Flussig|EINECS 202-910-5|EPA Pesticide Chemical Code 080811|NCI-C08684|NSC 3851|Pesticide, triazine|s-Triazine, 2,4-dichloro-6-(o-chloroanilino)-|Triasym|Triasyn|Triazin|UNII-C6E8Y03ZJN|Zinochlor|1135442-71-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020089 https://doi.org/10.22427/NTP-DATA-DTXSID9020089
ARPathway2016 ARPathway2016_408 Anilazine 101-05-3 DTXSID9020089 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC1=CC=CC=C1NC1=NC(Cl)=NC(Cl)=N1 Anilazine 101-05-3|Anilazine|(o-Chloroanilino)dichlorotriazine|1,3,5-Triazin-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-|1,3,5-Triazine-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-|2-(2-Chloranilin)-4,6-dichlor-1,3,5-triazin|2-(2-Chloroanilino)-4,6-dichloro-s-triazine|2-(2'-Chloroanilino)-4,6-dichloro-s-triazine|2-(o-Chloroanilino)-4,6-dichloro-1,3,5-triazine|2-Chloro-N-(4,6-dichloro-1,3,5-triazin-2-yl)aniline|2,4-Dichloro-6-(2-chloranilino)-s-triazine|2,4-Dichloro-6-(2-chloroanilino)-1,3,5-triazine|2,4-Dichloro-6-(o-chloroanilino)-1,3,5-triazine|2,4-Dichloro-6-(o-chloroanilino)-s-triazine|2,4-Dichloro-6-(o-chlorophenyl)amino-s-triazine|2,4-Dichloro-6-o-chloranilino-s-triazine|4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine|5-26-08-00019|Anilazin|anilazina|Aniyaline|Bortrysan|BRN 0223133|Caswell No. 302|Dyrene|Dyrene Flussig|EINECS 202-910-5|EPA Pesticide Chemical Code 080811|NCI-C08684|NSC 3851|Pesticide, triazine|s-Triazine, 2,4-dichloro-6-(o-chloroanilino)-|Triasym|Triasyn|Triazin|UNII-C6E8Y03ZJN|Zinochlor|1135442-71-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020089 https://doi.org/10.22427/NTP-DATA-DTXSID9020089
ARPathway2016 ARPathway2016_408 Anilazine 101-05-3 DTXSID9020089 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=CC=C1NC1=NC(Cl)=NC(Cl)=N1 Anilazine 101-05-3|Anilazine|(o-Chloroanilino)dichlorotriazine|1,3,5-Triazin-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-|1,3,5-Triazine-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-|2-(2-Chloranilin)-4,6-dichlor-1,3,5-triazin|2-(2-Chloroanilino)-4,6-dichloro-s-triazine|2-(2'-Chloroanilino)-4,6-dichloro-s-triazine|2-(o-Chloroanilino)-4,6-dichloro-1,3,5-triazine|2-Chloro-N-(4,6-dichloro-1,3,5-triazin-2-yl)aniline|2,4-Dichloro-6-(2-chloranilino)-s-triazine|2,4-Dichloro-6-(2-chloroanilino)-1,3,5-triazine|2,4-Dichloro-6-(o-chloroanilino)-1,3,5-triazine|2,4-Dichloro-6-(o-chloroanilino)-s-triazine|2,4-Dichloro-6-(o-chlorophenyl)amino-s-triazine|2,4-Dichloro-6-o-chloranilino-s-triazine|4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine|5-26-08-00019|Anilazin|anilazina|Aniyaline|Bortrysan|BRN 0223133|Caswell No. 302|Dyrene|Dyrene Flussig|EINECS 202-910-5|EPA Pesticide Chemical Code 080811|NCI-C08684|NSC 3851|Pesticide, triazine|s-Triazine, 2,4-dichloro-6-(o-chloroanilino)-|Triasym|Triasyn|Triazin|UNII-C6E8Y03ZJN|Zinochlor|1135442-71-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020089 https://doi.org/10.22427/NTP-DATA-DTXSID9020089
ERPathway2016 ERPathway2016_539 Anilazine 101-05-3 DTXSID9020089 R8 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=CC=C1NC1=NC(Cl)=NC(Cl)=N1 Anilazine 101-05-3|Anilazine|(o-Chloroanilino)dichlorotriazine|1,3,5-Triazin-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-|1,3,5-Triazine-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-|2-(2-Chloranilin)-4,6-dichlor-1,3,5-triazin|2-(2-Chloroanilino)-4,6-dichloro-s-triazine|2-(2'-Chloroanilino)-4,6-dichloro-s-triazine|2-(o-Chloroanilino)-4,6-dichloro-1,3,5-triazine|2-Chloro-N-(4,6-dichloro-1,3,5-triazin-2-yl)aniline|2,4-Dichloro-6-(2-chloranilino)-s-triazine|2,4-Dichloro-6-(2-chloroanilino)-1,3,5-triazine|2,4-Dichloro-6-(o-chloroanilino)-1,3,5-triazine|2,4-Dichloro-6-(o-chloroanilino)-s-triazine|2,4-Dichloro-6-(o-chlorophenyl)amino-s-triazine|2,4-Dichloro-6-o-chloranilino-s-triazine|4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine|5-26-08-00019|Anilazin|anilazina|Aniyaline|Bortrysan|BRN 0223133|Caswell No. 302|Dyrene|Dyrene Flussig|EINECS 202-910-5|EPA Pesticide Chemical Code 080811|NCI-C08684|NSC 3851|Pesticide, triazine|s-Triazine, 2,4-dichloro-6-(o-chloroanilino)-|Triasym|Triasyn|Triazin|UNII-C6E8Y03ZJN|Zinochlor|1135442-71-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020089 https://doi.org/10.22427/NTP-DATA-DTXSID9020089
ERPathway2016 ERPathway2016_539 Anilazine 101-05-3 DTXSID9020089 R8 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=CC=C1NC1=NC(Cl)=NC(Cl)=N1 Anilazine 101-05-3|Anilazine|(o-Chloroanilino)dichlorotriazine|1,3,5-Triazin-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-|1,3,5-Triazine-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-|2-(2-Chloranilin)-4,6-dichlor-1,3,5-triazin|2-(2-Chloroanilino)-4,6-dichloro-s-triazine|2-(2'-Chloroanilino)-4,6-dichloro-s-triazine|2-(o-Chloroanilino)-4,6-dichloro-1,3,5-triazine|2-Chloro-N-(4,6-dichloro-1,3,5-triazin-2-yl)aniline|2,4-Dichloro-6-(2-chloranilino)-s-triazine|2,4-Dichloro-6-(2-chloroanilino)-1,3,5-triazine|2,4-Dichloro-6-(o-chloroanilino)-1,3,5-triazine|2,4-Dichloro-6-(o-chloroanilino)-s-triazine|2,4-Dichloro-6-(o-chlorophenyl)amino-s-triazine|2,4-Dichloro-6-o-chloranilino-s-triazine|4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine|5-26-08-00019|Anilazin|anilazina|Aniyaline|Bortrysan|BRN 0223133|Caswell No. 302|Dyrene|Dyrene Flussig|EINECS 202-910-5|EPA Pesticide Chemical Code 080811|NCI-C08684|NSC 3851|Pesticide, triazine|s-Triazine, 2,4-dichloro-6-(o-chloroanilino)-|Triasym|Triasyn|Triazin|UNII-C6E8Y03ZJN|Zinochlor|1135442-71-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020089 https://doi.org/10.22427/NTP-DATA-DTXSID9020089
ERPathway2016 ERPathway2016_539 Anilazine 101-05-3 DTXSID9020089 R8 ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC=CC=C1NC1=NC(Cl)=NC(Cl)=N1 Anilazine 101-05-3|Anilazine|(o-Chloroanilino)dichlorotriazine|1,3,5-Triazin-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-|1,3,5-Triazine-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-|2-(2-Chloranilin)-4,6-dichlor-1,3,5-triazin|2-(2-Chloroanilino)-4,6-dichloro-s-triazine|2-(2'-Chloroanilino)-4,6-dichloro-s-triazine|2-(o-Chloroanilino)-4,6-dichloro-1,3,5-triazine|2-Chloro-N-(4,6-dichloro-1,3,5-triazin-2-yl)aniline|2,4-Dichloro-6-(2-chloranilino)-s-triazine|2,4-Dichloro-6-(2-chloroanilino)-1,3,5-triazine|2,4-Dichloro-6-(o-chloroanilino)-1,3,5-triazine|2,4-Dichloro-6-(o-chloroanilino)-s-triazine|2,4-Dichloro-6-(o-chlorophenyl)amino-s-triazine|2,4-Dichloro-6-o-chloranilino-s-triazine|4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine|5-26-08-00019|Anilazin|anilazina|Aniyaline|Bortrysan|BRN 0223133|Caswell No. 302|Dyrene|Dyrene Flussig|EINECS 202-910-5|EPA Pesticide Chemical Code 080811|NCI-C08684|NSC 3851|Pesticide, triazine|s-Triazine, 2,4-dichloro-6-(o-chloroanilino)-|Triasym|Triasyn|Triazin|UNII-C6E8Y03ZJN|Zinochlor|1135442-71-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020089 https://doi.org/10.22427/NTP-DATA-DTXSID9020089
ERPathway2016 ERPathway2016_539 Anilazine 101-05-3 DTXSID9020089 R8 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=CC=C1NC1=NC(Cl)=NC(Cl)=N1 Anilazine 101-05-3|Anilazine|(o-Chloroanilino)dichlorotriazine|1,3,5-Triazin-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-|1,3,5-Triazine-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-|2-(2-Chloranilin)-4,6-dichlor-1,3,5-triazin|2-(2-Chloroanilino)-4,6-dichloro-s-triazine|2-(2'-Chloroanilino)-4,6-dichloro-s-triazine|2-(o-Chloroanilino)-4,6-dichloro-1,3,5-triazine|2-Chloro-N-(4,6-dichloro-1,3,5-triazin-2-yl)aniline|2,4-Dichloro-6-(2-chloranilino)-s-triazine|2,4-Dichloro-6-(2-chloroanilino)-1,3,5-triazine|2,4-Dichloro-6-(o-chloroanilino)-1,3,5-triazine|2,4-Dichloro-6-(o-chloroanilino)-s-triazine|2,4-Dichloro-6-(o-chlorophenyl)amino-s-triazine|2,4-Dichloro-6-o-chloranilino-s-triazine|4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine|5-26-08-00019|Anilazin|anilazina|Aniyaline|Bortrysan|BRN 0223133|Caswell No. 302|Dyrene|Dyrene Flussig|EINECS 202-910-5|EPA Pesticide Chemical Code 080811|NCI-C08684|NSC 3851|Pesticide, triazine|s-Triazine, 2,4-dichloro-6-(o-chloroanilino)-|Triasym|Triasyn|Triazin|UNII-C6E8Y03ZJN|Zinochlor|1135442-71-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020089 https://doi.org/10.22427/NTP-DATA-DTXSID9020089
ARPathway2016 ARPathway2016_841 Aniline hydrochloride 142-04-1 DTXSID3020091 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.NC1=CC=CC=C1 Aniline hydrochloride 142-04-1|Aniline hydrochloride|'aniline Salt'|ANILIN.HCL, REIN|ANILIN.HCL, TECHNISCH|Aniline chloride|Aniline salt|Aniline, hydrochloride|anilinium chloride|Aniliniumchlorid|Benzenamine hydrochloride|Benzenamine, hydrochloride|Benzenamine, hydrochloride (1:1)|Chlorhydrate d'aniline|Chlorid anilinu|Chlorure d'anilinium|cloruro de anilinio|EINECS 205-519-8|NCI-C03736 hydrochloride|NSC 7910|Phenylamine hydrochloride|Phenylammonium chloride|Sul anilinova|UN 1548|UNII-576R1193YL|USAF EK-442 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020091 https://doi.org/10.22427/NTP-DATA-DTXSID3020091
ARPathway2016 ARPathway2016_841 Aniline hydrochloride 142-04-1 DTXSID3020091 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cl.NC1=CC=CC=C1 Aniline hydrochloride 142-04-1|Aniline hydrochloride|'aniline Salt'|ANILIN.HCL, REIN|ANILIN.HCL, TECHNISCH|Aniline chloride|Aniline salt|Aniline, hydrochloride|anilinium chloride|Aniliniumchlorid|Benzenamine hydrochloride|Benzenamine, hydrochloride|Benzenamine, hydrochloride (1:1)|Chlorhydrate d'aniline|Chlorid anilinu|Chlorure d'anilinium|cloruro de anilinio|EINECS 205-519-8|NCI-C03736 hydrochloride|NSC 7910|Phenylamine hydrochloride|Phenylammonium chloride|Sul anilinova|UN 1548|UNII-576R1193YL|USAF EK-442 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020091 https://doi.org/10.22427/NTP-DATA-DTXSID3020091
ARPathway2016 ARPathway2016_841 Aniline hydrochloride 142-04-1 DTXSID3020091 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cl.NC1=CC=CC=C1 Aniline hydrochloride 142-04-1|Aniline hydrochloride|'aniline Salt'|ANILIN.HCL, REIN|ANILIN.HCL, TECHNISCH|Aniline chloride|Aniline salt|Aniline, hydrochloride|anilinium chloride|Aniliniumchlorid|Benzenamine hydrochloride|Benzenamine, hydrochloride|Benzenamine, hydrochloride (1:1)|Chlorhydrate d'aniline|Chlorid anilinu|Chlorure d'anilinium|cloruro de anilinio|EINECS 205-519-8|NCI-C03736 hydrochloride|NSC 7910|Phenylamine hydrochloride|Phenylammonium chloride|Sul anilinova|UN 1548|UNII-576R1193YL|USAF EK-442 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020091 https://doi.org/10.22427/NTP-DATA-DTXSID3020091
ARPathway2016 ARPathway2016_841 Aniline hydrochloride 142-04-1 DTXSID3020091 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cl.NC1=CC=CC=C1 Aniline hydrochloride 142-04-1|Aniline hydrochloride|'aniline Salt'|ANILIN.HCL, REIN|ANILIN.HCL, TECHNISCH|Aniline chloride|Aniline salt|Aniline, hydrochloride|anilinium chloride|Aniliniumchlorid|Benzenamine hydrochloride|Benzenamine, hydrochloride|Benzenamine, hydrochloride (1:1)|Chlorhydrate d'aniline|Chlorid anilinu|Chlorure d'anilinium|cloruro de anilinio|EINECS 205-519-8|NCI-C03736 hydrochloride|NSC 7910|Phenylamine hydrochloride|Phenylammonium chloride|Sul anilinova|UN 1548|UNII-576R1193YL|USAF EK-442 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020091 https://doi.org/10.22427/NTP-DATA-DTXSID3020091
ERPathway2016 ERPathway2016_1301 Aniline hydrochloride 142-04-1 DTXSID3020091 ER Pathway Model, Agonist Model Score 0 Unitless Cl.NC1=CC=CC=C1 Aniline hydrochloride 142-04-1|Aniline hydrochloride|'aniline Salt'|ANILIN.HCL, REIN|ANILIN.HCL, TECHNISCH|Aniline chloride|Aniline salt|Aniline, hydrochloride|anilinium chloride|Aniliniumchlorid|Benzenamine hydrochloride|Benzenamine, hydrochloride|Benzenamine, hydrochloride (1:1)|Chlorhydrate d'aniline|Chlorid anilinu|Chlorure d'anilinium|cloruro de anilinio|EINECS 205-519-8|NCI-C03736 hydrochloride|NSC 7910|Phenylamine hydrochloride|Phenylammonium chloride|Sul anilinova|UN 1548|UNII-576R1193YL|USAF EK-442 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020091 https://doi.org/10.22427/NTP-DATA-DTXSID3020091
ERPathway2016 ERPathway2016_1301 Aniline hydrochloride 142-04-1 DTXSID3020091 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.NC1=CC=CC=C1 Aniline hydrochloride 142-04-1|Aniline hydrochloride|'aniline Salt'|ANILIN.HCL, REIN|ANILIN.HCL, TECHNISCH|Aniline chloride|Aniline salt|Aniline, hydrochloride|anilinium chloride|Aniliniumchlorid|Benzenamine hydrochloride|Benzenamine, hydrochloride|Benzenamine, hydrochloride (1:1)|Chlorhydrate d'aniline|Chlorid anilinu|Chlorure d'anilinium|cloruro de anilinio|EINECS 205-519-8|NCI-C03736 hydrochloride|NSC 7910|Phenylamine hydrochloride|Phenylammonium chloride|Sul anilinova|UN 1548|UNII-576R1193YL|USAF EK-442 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020091 https://doi.org/10.22427/NTP-DATA-DTXSID3020091
ERPathway2016 ERPathway2016_1301 Aniline hydrochloride 142-04-1 DTXSID3020091 ER Pathway Model, Agonist Call Inactive Unitless Cl.NC1=CC=CC=C1 Aniline hydrochloride 142-04-1|Aniline hydrochloride|'aniline Salt'|ANILIN.HCL, REIN|ANILIN.HCL, TECHNISCH|Aniline chloride|Aniline salt|Aniline, hydrochloride|anilinium chloride|Aniliniumchlorid|Benzenamine hydrochloride|Benzenamine, hydrochloride|Benzenamine, hydrochloride (1:1)|Chlorhydrate d'aniline|Chlorid anilinu|Chlorure d'anilinium|cloruro de anilinio|EINECS 205-519-8|NCI-C03736 hydrochloride|NSC 7910|Phenylamine hydrochloride|Phenylammonium chloride|Sul anilinova|UN 1548|UNII-576R1193YL|USAF EK-442 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020091 https://doi.org/10.22427/NTP-DATA-DTXSID3020091
ERPathway2016 ERPathway2016_1301 Aniline hydrochloride 142-04-1 DTXSID3020091 ER Pathway Model, Antagonist Call Inactive Unitless Cl.NC1=CC=CC=C1 Aniline hydrochloride 142-04-1|Aniline hydrochloride|'aniline Salt'|ANILIN.HCL, REIN|ANILIN.HCL, TECHNISCH|Aniline chloride|Aniline salt|Aniline, hydrochloride|anilinium chloride|Aniliniumchlorid|Benzenamine hydrochloride|Benzenamine, hydrochloride|Benzenamine, hydrochloride (1:1)|Chlorhydrate d'aniline|Chlorid anilinu|Chlorure d'anilinium|cloruro de anilinio|EINECS 205-519-8|NCI-C03736 hydrochloride|NSC 7910|Phenylamine hydrochloride|Phenylammonium chloride|Sul anilinova|UN 1548|UNII-576R1193YL|USAF EK-442 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020091 https://doi.org/10.22427/NTP-DATA-DTXSID3020091
ARPathway2016 ARPathway2016_1597 Anise oil 8007-70-3 DTXSID3024528 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Anise oil 8007-70-3|Anise oil|Anis oel|Anise star (Illicium verum Hook, F.)|Anise star extract (Illicium verum Hook, F.)|Anise star oil (Illicium verum Hook, F.)|Caswell No. 616|EPA Pesticide Chemical Code 004301|FEMA No. 2095|FEMA No. 2096|Oil of anise|Oils, anise|Oils, pimpinella anisum|Star anise oil|Staraniseed oil|UNII-6Y89129C8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024528 https://doi.org/10.22427/NTP-DATA-DTXSID3024528
ARPathway2016 ARPathway2016_1597 Anise oil 8007-70-3 DTXSID3024528 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Anise oil 8007-70-3|Anise oil|Anis oel|Anise star (Illicium verum Hook, F.)|Anise star extract (Illicium verum Hook, F.)|Anise star oil (Illicium verum Hook, F.)|Caswell No. 616|EPA Pesticide Chemical Code 004301|FEMA No. 2095|FEMA No. 2096|Oil of anise|Oils, anise|Oils, pimpinella anisum|Star anise oil|Staraniseed oil|UNII-6Y89129C8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024528 https://doi.org/10.22427/NTP-DATA-DTXSID3024528
ARPathway2016 ARPathway2016_1597 Anise oil 8007-70-3 DTXSID3024528 0.0 AR Pathway Model, Agonist Call Inactive Unitless Anise oil 8007-70-3|Anise oil|Anis oel|Anise star (Illicium verum Hook, F.)|Anise star extract (Illicium verum Hook, F.)|Anise star oil (Illicium verum Hook, F.)|Caswell No. 616|EPA Pesticide Chemical Code 004301|FEMA No. 2095|FEMA No. 2096|Oil of anise|Oils, anise|Oils, pimpinella anisum|Star anise oil|Staraniseed oil|UNII-6Y89129C8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024528 https://doi.org/10.22427/NTP-DATA-DTXSID3024528
ARPathway2016 ARPathway2016_1597 Anise oil 8007-70-3 DTXSID3024528 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Anise oil 8007-70-3|Anise oil|Anis oel|Anise star (Illicium verum Hook, F.)|Anise star extract (Illicium verum Hook, F.)|Anise star oil (Illicium verum Hook, F.)|Caswell No. 616|EPA Pesticide Chemical Code 004301|FEMA No. 2095|FEMA No. 2096|Oil of anise|Oils, anise|Oils, pimpinella anisum|Star anise oil|Staraniseed oil|UNII-6Y89129C8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024528 https://doi.org/10.22427/NTP-DATA-DTXSID3024528
ERPathway2016 ERPathway2016_296 Anise oil 8007-70-3 DTXSID3024528 ER Pathway Model, Antagonist AC50 34.0832156286038 uM Anise oil 8007-70-3|Anise oil|Anis oel|Anise star (Illicium verum Hook, F.)|Anise star extract (Illicium verum Hook, F.)|Anise star oil (Illicium verum Hook, F.)|Caswell No. 616|EPA Pesticide Chemical Code 004301|FEMA No. 2095|FEMA No. 2096|Oil of anise|Oils, anise|Oils, pimpinella anisum|Star anise oil|Staraniseed oil|UNII-6Y89129C8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024528 https://doi.org/10.22427/NTP-DATA-DTXSID3024528
ERPathway2016 ERPathway2016_296 Anise oil 8007-70-3 DTXSID3024528 ER Pathway Model, Antagonist ACC 25.2306997989536 uM Anise oil 8007-70-3|Anise oil|Anis oel|Anise star (Illicium verum Hook, F.)|Anise star extract (Illicium verum Hook, F.)|Anise star oil (Illicium verum Hook, F.)|Caswell No. 616|EPA Pesticide Chemical Code 004301|FEMA No. 2095|FEMA No. 2096|Oil of anise|Oils, anise|Oils, pimpinella anisum|Star anise oil|Staraniseed oil|UNII-6Y89129C8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024528 https://doi.org/10.22427/NTP-DATA-DTXSID3024528
ERPathway2016 ERPathway2016_296 Anise oil 8007-70-3 DTXSID3024528 ER Pathway Model, Agonist Model Score 0.0384 Unitless Anise oil 8007-70-3|Anise oil|Anis oel|Anise star (Illicium verum Hook, F.)|Anise star extract (Illicium verum Hook, F.)|Anise star oil (Illicium verum Hook, F.)|Caswell No. 616|EPA Pesticide Chemical Code 004301|FEMA No. 2095|FEMA No. 2096|Oil of anise|Oils, anise|Oils, pimpinella anisum|Star anise oil|Staraniseed oil|UNII-6Y89129C8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024528 https://doi.org/10.22427/NTP-DATA-DTXSID3024528
ERPathway2016 ERPathway2016_296 Anise oil 8007-70-3 DTXSID3024528 ER Pathway Model, Antagonist Model Score 0.00206 Unitless Anise oil 8007-70-3|Anise oil|Anis oel|Anise star (Illicium verum Hook, F.)|Anise star extract (Illicium verum Hook, F.)|Anise star oil (Illicium verum Hook, F.)|Caswell No. 616|EPA Pesticide Chemical Code 004301|FEMA No. 2095|FEMA No. 2096|Oil of anise|Oils, anise|Oils, pimpinella anisum|Star anise oil|Staraniseed oil|UNII-6Y89129C8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024528 https://doi.org/10.22427/NTP-DATA-DTXSID3024528
ERPathway2016 ERPathway2016_296 Anise oil 8007-70-3 DTXSID3024528 ER Pathway Model, Agonist Call Inactive Unitless Anise oil 8007-70-3|Anise oil|Anis oel|Anise star (Illicium verum Hook, F.)|Anise star extract (Illicium verum Hook, F.)|Anise star oil (Illicium verum Hook, F.)|Caswell No. 616|EPA Pesticide Chemical Code 004301|FEMA No. 2095|FEMA No. 2096|Oil of anise|Oils, anise|Oils, pimpinella anisum|Star anise oil|Staraniseed oil|UNII-6Y89129C8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024528 https://doi.org/10.22427/NTP-DATA-DTXSID3024528
ERPathway2016 ERPathway2016_296 Anise oil 8007-70-3 DTXSID3024528 ER Pathway Model, Antagonist Call Active Unitless Anise oil 8007-70-3|Anise oil|Anis oel|Anise star (Illicium verum Hook, F.)|Anise star extract (Illicium verum Hook, F.)|Anise star oil (Illicium verum Hook, F.)|Caswell No. 616|EPA Pesticide Chemical Code 004301|FEMA No. 2095|FEMA No. 2096|Oil of anise|Oils, anise|Oils, pimpinella anisum|Star anise oil|Staraniseed oil|UNII-6Y89129C8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024528 https://doi.org/10.22427/NTP-DATA-DTXSID3024528
ARPathway2016 ARPathway2016_663 Anthracene 120-12-7 DTXSID0023878 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=CC3=C(C=CC=C3)C=C2C=C1 Anthracene 120-12-7|Anthracene|Anthracen|Anthracin|antraceno, puro|Bis-alkylamino anthracene|EINECS 204-371-1|Green Oil|NSC 7958|Paranaphthalene|Tetra Olive N2G|UN 1136|UNII-EH46A1TLD7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023878 https://doi.org/10.22427/NTP-DATA-DTXSID0023878
ARPathway2016 ARPathway2016_663 Anthracene 120-12-7 DTXSID0023878 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1=CC2=CC3=C(C=CC=C3)C=C2C=C1 Anthracene 120-12-7|Anthracene|Anthracen|Anthracin|antraceno, puro|Bis-alkylamino anthracene|EINECS 204-371-1|Green Oil|NSC 7958|Paranaphthalene|Tetra Olive N2G|UN 1136|UNII-EH46A1TLD7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023878 https://doi.org/10.22427/NTP-DATA-DTXSID0023878
ARPathway2016 ARPathway2016_663 Anthracene 120-12-7 DTXSID0023878 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1=CC2=CC3=C(C=CC=C3)C=C2C=C1 Anthracene 120-12-7|Anthracene|Anthracen|Anthracin|antraceno, puro|Bis-alkylamino anthracene|EINECS 204-371-1|Green Oil|NSC 7958|Paranaphthalene|Tetra Olive N2G|UN 1136|UNII-EH46A1TLD7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023878 https://doi.org/10.22427/NTP-DATA-DTXSID0023878
ARPathway2016 ARPathway2016_663 Anthracene 120-12-7 DTXSID0023878 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1=CC2=CC3=C(C=CC=C3)C=C2C=C1 Anthracene 120-12-7|Anthracene|Anthracen|Anthracin|antraceno, puro|Bis-alkylamino anthracene|EINECS 204-371-1|Green Oil|NSC 7958|Paranaphthalene|Tetra Olive N2G|UN 1136|UNII-EH46A1TLD7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023878 https://doi.org/10.22427/NTP-DATA-DTXSID0023878
ERPathway2016 ERPathway2016_389 Anthracene 120-12-7 DTXSID0023878 A15 ER Pathway Model, Antagonist AC50 37.4523452174354 uM C1=CC2=CC3=C(C=CC=C3)C=C2C=C1 Anthracene 120-12-7|Anthracene|Anthracen|Anthracin|antraceno, puro|Bis-alkylamino anthracene|EINECS 204-371-1|Green Oil|NSC 7958|Paranaphthalene|Tetra Olive N2G|UN 1136|UNII-EH46A1TLD7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023878 https://doi.org/10.22427/NTP-DATA-DTXSID0023878
ERPathway2016 ERPathway2016_389 Anthracene 120-12-7 DTXSID0023878 A15 ER Pathway Model, Antagonist ACC 52.9480263674802 uM C1=CC2=CC3=C(C=CC=C3)C=C2C=C1 Anthracene 120-12-7|Anthracene|Anthracen|Anthracin|antraceno, puro|Bis-alkylamino anthracene|EINECS 204-371-1|Green Oil|NSC 7958|Paranaphthalene|Tetra Olive N2G|UN 1136|UNII-EH46A1TLD7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023878 https://doi.org/10.22427/NTP-DATA-DTXSID0023878
ERPathway2016 ERPathway2016_389 Anthracene 120-12-7 DTXSID0023878 A15 ER Pathway Model, Agonist Model Score 0.0112 Unitless C1=CC2=CC3=C(C=CC=C3)C=C2C=C1 Anthracene 120-12-7|Anthracene|Anthracen|Anthracin|antraceno, puro|Bis-alkylamino anthracene|EINECS 204-371-1|Green Oil|NSC 7958|Paranaphthalene|Tetra Olive N2G|UN 1136|UNII-EH46A1TLD7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023878 https://doi.org/10.22427/NTP-DATA-DTXSID0023878
ERPathway2016 ERPathway2016_389 Anthracene 120-12-7 DTXSID0023878 A15 ER Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=CC3=C(C=CC=C3)C=C2C=C1 Anthracene 120-12-7|Anthracene|Anthracen|Anthracin|antraceno, puro|Bis-alkylamino anthracene|EINECS 204-371-1|Green Oil|NSC 7958|Paranaphthalene|Tetra Olive N2G|UN 1136|UNII-EH46A1TLD7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023878 https://doi.org/10.22427/NTP-DATA-DTXSID0023878
ERPathway2016 ERPathway2016_389 Anthracene 120-12-7 DTXSID0023878 A15 ER Pathway Model, Agonist Call Inactive Unitless C1=CC2=CC3=C(C=CC=C3)C=C2C=C1 Anthracene 120-12-7|Anthracene|Anthracen|Anthracin|antraceno, puro|Bis-alkylamino anthracene|EINECS 204-371-1|Green Oil|NSC 7958|Paranaphthalene|Tetra Olive N2G|UN 1136|UNII-EH46A1TLD7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023878 https://doi.org/10.22427/NTP-DATA-DTXSID0023878
ERPathway2016 ERPathway2016_389 Anthracene 120-12-7 DTXSID0023878 A15 ER Pathway Model, Antagonist Call Active Unitless C1=CC2=CC3=C(C=CC=C3)C=C2C=C1 Anthracene 120-12-7|Anthracene|Anthracen|Anthracin|antraceno, puro|Bis-alkylamino anthracene|EINECS 204-371-1|Green Oil|NSC 7958|Paranaphthalene|Tetra Olive N2G|UN 1136|UNII-EH46A1TLD7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023878 https://doi.org/10.22427/NTP-DATA-DTXSID0023878
ARPathway2016 ARPathway2016_625 Anthralin 1143-38-0 DTXSID7024538 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=C2C(CC3=CC=CC(O)=C3C2=O)=CC=C1 Anthralin 1143-38-0|Anthralin|1,8-dihidroxiantracen-9(10H)-ona|1,8-Dihydroxy-9-anthrone|1,8-Dihydroxy-9(10H)-anthracenone|1,8-Dihydroxyanthracen-9(10H)-on|1,8-dihydroxyanthracen-9(10H)-one|1,8-dihydroxyanthracene-9(10H)-one|1,8-Dihydroxyanthrone|4-06-00-07602|9(10H)-Anthracenone, 1,8-dihydroxy-|9(10H)-Anthracenone,1,8-dihydroxy-|Anthra-Derm|Anthrone, 1,8-dihydroxy-|Batidrol|Batridol|BRN 1976792|BRN 2054360|Chrysodermol|Cignolin|Cigthranol|Dermaline|Derobin|Dioxyanthranol|Dithranol|Dithranolum|DrithoCreme|Drithoscalp|EINECS 214-538-0|NSC 43970|NSC 629313|Psodadrate|Psoriacid-Stift|Psoriacide|UNII-U8CJK0JH5M|Zithranol-RR https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024538 https://doi.org/10.22427/NTP-DATA-DTXSID7024538
ARPathway2016 ARPathway2016_625 Anthralin 1143-38-0 DTXSID7024538 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1=C2C(CC3=CC=CC(O)=C3C2=O)=CC=C1 Anthralin 1143-38-0|Anthralin|1,8-dihidroxiantracen-9(10H)-ona|1,8-Dihydroxy-9-anthrone|1,8-Dihydroxy-9(10H)-anthracenone|1,8-Dihydroxyanthracen-9(10H)-on|1,8-dihydroxyanthracen-9(10H)-one|1,8-dihydroxyanthracene-9(10H)-one|1,8-Dihydroxyanthrone|4-06-00-07602|9(10H)-Anthracenone, 1,8-dihydroxy-|9(10H)-Anthracenone,1,8-dihydroxy-|Anthra-Derm|Anthrone, 1,8-dihydroxy-|Batidrol|Batridol|BRN 1976792|BRN 2054360|Chrysodermol|Cignolin|Cigthranol|Dermaline|Derobin|Dioxyanthranol|Dithranol|Dithranolum|DrithoCreme|Drithoscalp|EINECS 214-538-0|NSC 43970|NSC 629313|Psodadrate|Psoriacid-Stift|Psoriacide|UNII-U8CJK0JH5M|Zithranol-RR https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024538 https://doi.org/10.22427/NTP-DATA-DTXSID7024538
ARPathway2016 ARPathway2016_625 Anthralin 1143-38-0 DTXSID7024538 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1=C2C(CC3=CC=CC(O)=C3C2=O)=CC=C1 Anthralin 1143-38-0|Anthralin|1,8-dihidroxiantracen-9(10H)-ona|1,8-Dihydroxy-9-anthrone|1,8-Dihydroxy-9(10H)-anthracenone|1,8-Dihydroxyanthracen-9(10H)-on|1,8-dihydroxyanthracen-9(10H)-one|1,8-dihydroxyanthracene-9(10H)-one|1,8-Dihydroxyanthrone|4-06-00-07602|9(10H)-Anthracenone, 1,8-dihydroxy-|9(10H)-Anthracenone,1,8-dihydroxy-|Anthra-Derm|Anthrone, 1,8-dihydroxy-|Batidrol|Batridol|BRN 1976792|BRN 2054360|Chrysodermol|Cignolin|Cigthranol|Dermaline|Derobin|Dioxyanthranol|Dithranol|Dithranolum|DrithoCreme|Drithoscalp|EINECS 214-538-0|NSC 43970|NSC 629313|Psodadrate|Psoriacid-Stift|Psoriacide|UNII-U8CJK0JH5M|Zithranol-RR https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024538 https://doi.org/10.22427/NTP-DATA-DTXSID7024538
ARPathway2016 ARPathway2016_625 Anthralin 1143-38-0 DTXSID7024538 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1=C2C(CC3=CC=CC(O)=C3C2=O)=CC=C1 Anthralin 1143-38-0|Anthralin|1,8-dihidroxiantracen-9(10H)-ona|1,8-Dihydroxy-9-anthrone|1,8-Dihydroxy-9(10H)-anthracenone|1,8-Dihydroxyanthracen-9(10H)-on|1,8-dihydroxyanthracen-9(10H)-one|1,8-dihydroxyanthracene-9(10H)-one|1,8-Dihydroxyanthrone|4-06-00-07602|9(10H)-Anthracenone, 1,8-dihydroxy-|9(10H)-Anthracenone,1,8-dihydroxy-|Anthra-Derm|Anthrone, 1,8-dihydroxy-|Batidrol|Batridol|BRN 1976792|BRN 2054360|Chrysodermol|Cignolin|Cigthranol|Dermaline|Derobin|Dioxyanthranol|Dithranol|Dithranolum|DrithoCreme|Drithoscalp|EINECS 214-538-0|NSC 43970|NSC 629313|Psodadrate|Psoriacid-Stift|Psoriacide|UNII-U8CJK0JH5M|Zithranol-RR https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024538 https://doi.org/10.22427/NTP-DATA-DTXSID7024538
ERPathway2016 ERPathway2016_1187 Anthralin 1143-38-0 DTXSID7024538 ER Pathway Model, Agonist Model Score 0 Unitless OC1=C2C(CC3=CC=CC(O)=C3C2=O)=CC=C1 Anthralin 1143-38-0|Anthralin|1,8-dihidroxiantracen-9(10H)-ona|1,8-Dihydroxy-9-anthrone|1,8-Dihydroxy-9(10H)-anthracenone|1,8-Dihydroxyanthracen-9(10H)-on|1,8-dihydroxyanthracen-9(10H)-one|1,8-dihydroxyanthracene-9(10H)-one|1,8-Dihydroxyanthrone|4-06-00-07602|9(10H)-Anthracenone, 1,8-dihydroxy-|9(10H)-Anthracenone,1,8-dihydroxy-|Anthra-Derm|Anthrone, 1,8-dihydroxy-|Batidrol|Batridol|BRN 1976792|BRN 2054360|Chrysodermol|Cignolin|Cigthranol|Dermaline|Derobin|Dioxyanthranol|Dithranol|Dithranolum|DrithoCreme|Drithoscalp|EINECS 214-538-0|NSC 43970|NSC 629313|Psodadrate|Psoriacid-Stift|Psoriacide|UNII-U8CJK0JH5M|Zithranol-RR https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024538 https://doi.org/10.22427/NTP-DATA-DTXSID7024538
ERPathway2016 ERPathway2016_1187 Anthralin 1143-38-0 DTXSID7024538 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C2C(CC3=CC=CC(O)=C3C2=O)=CC=C1 Anthralin 1143-38-0|Anthralin|1,8-dihidroxiantracen-9(10H)-ona|1,8-Dihydroxy-9-anthrone|1,8-Dihydroxy-9(10H)-anthracenone|1,8-Dihydroxyanthracen-9(10H)-on|1,8-dihydroxyanthracen-9(10H)-one|1,8-dihydroxyanthracene-9(10H)-one|1,8-Dihydroxyanthrone|4-06-00-07602|9(10H)-Anthracenone, 1,8-dihydroxy-|9(10H)-Anthracenone,1,8-dihydroxy-|Anthra-Derm|Anthrone, 1,8-dihydroxy-|Batidrol|Batridol|BRN 1976792|BRN 2054360|Chrysodermol|Cignolin|Cigthranol|Dermaline|Derobin|Dioxyanthranol|Dithranol|Dithranolum|DrithoCreme|Drithoscalp|EINECS 214-538-0|NSC 43970|NSC 629313|Psodadrate|Psoriacid-Stift|Psoriacide|UNII-U8CJK0JH5M|Zithranol-RR https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024538 https://doi.org/10.22427/NTP-DATA-DTXSID7024538
ERPathway2016 ERPathway2016_1187 Anthralin 1143-38-0 DTXSID7024538 ER Pathway Model, Agonist Call Inactive Unitless OC1=C2C(CC3=CC=CC(O)=C3C2=O)=CC=C1 Anthralin 1143-38-0|Anthralin|1,8-dihidroxiantracen-9(10H)-ona|1,8-Dihydroxy-9-anthrone|1,8-Dihydroxy-9(10H)-anthracenone|1,8-Dihydroxyanthracen-9(10H)-on|1,8-dihydroxyanthracen-9(10H)-one|1,8-dihydroxyanthracene-9(10H)-one|1,8-Dihydroxyanthrone|4-06-00-07602|9(10H)-Anthracenone, 1,8-dihydroxy-|9(10H)-Anthracenone,1,8-dihydroxy-|Anthra-Derm|Anthrone, 1,8-dihydroxy-|Batidrol|Batridol|BRN 1976792|BRN 2054360|Chrysodermol|Cignolin|Cigthranol|Dermaline|Derobin|Dioxyanthranol|Dithranol|Dithranolum|DrithoCreme|Drithoscalp|EINECS 214-538-0|NSC 43970|NSC 629313|Psodadrate|Psoriacid-Stift|Psoriacide|UNII-U8CJK0JH5M|Zithranol-RR https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024538 https://doi.org/10.22427/NTP-DATA-DTXSID7024538
ERPathway2016 ERPathway2016_1187 Anthralin 1143-38-0 DTXSID7024538 ER Pathway Model, Antagonist Call Inactive Unitless OC1=C2C(CC3=CC=CC(O)=C3C2=O)=CC=C1 Anthralin 1143-38-0|Anthralin|1,8-dihidroxiantracen-9(10H)-ona|1,8-Dihydroxy-9-anthrone|1,8-Dihydroxy-9(10H)-anthracenone|1,8-Dihydroxyanthracen-9(10H)-on|1,8-dihydroxyanthracen-9(10H)-one|1,8-dihydroxyanthracene-9(10H)-one|1,8-Dihydroxyanthrone|4-06-00-07602|9(10H)-Anthracenone, 1,8-dihydroxy-|9(10H)-Anthracenone,1,8-dihydroxy-|Anthra-Derm|Anthrone, 1,8-dihydroxy-|Batidrol|Batridol|BRN 1976792|BRN 2054360|Chrysodermol|Cignolin|Cigthranol|Dermaline|Derobin|Dioxyanthranol|Dithranol|Dithranolum|DrithoCreme|Drithoscalp|EINECS 214-538-0|NSC 43970|NSC 629313|Psodadrate|Psoriacid-Stift|Psoriacide|UNII-U8CJK0JH5M|Zithranol-RR https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024538 https://doi.org/10.22427/NTP-DATA-DTXSID7024538
ARPathway2016 ARPathway2016_198 Apigenin 520-36-5 DTXSID6022391 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 14.46593484 uM OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O Apigenin 520-36-5|Apigenin|2-(p-Hydroxyphenyl)-5,7-dihydroxychromone|4,5, 7-Trihydroxyflavone|4',5,7-Trihydroxy-Flavone|4',5,7-Trihydroxyflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-|5-18-04-00574|5,7-dihidroxi-2-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyron|5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|5,7-Dihydroxy-2-(4-Hydroxyphenyl)chromen-4-one|5,7,4'-Trihydroxyflavone|Apegenin|Apigenine|Apigenol|BRN 0262620|C.I. Natural Yellow 1|Chamomile|EINECS 208-292-3|Flavone, 4',5,7-trihydroxy-|LY 080400|NSC 83244|Pelargidenon 1449|Spigenin|UCCF 031|UNII-7V515PI7F6|Versulin|461015-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022391 https://doi.org/10.22427/NTP-DATA-DTXSID6022391
ARPathway2016 ARPathway2016_198 Apigenin 520-36-5 DTXSID6022391 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 8.74527856 uM OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O Apigenin 520-36-5|Apigenin|2-(p-Hydroxyphenyl)-5,7-dihydroxychromone|4,5, 7-Trihydroxyflavone|4',5,7-Trihydroxy-Flavone|4',5,7-Trihydroxyflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-|5-18-04-00574|5,7-dihidroxi-2-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyron|5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|5,7-Dihydroxy-2-(4-Hydroxyphenyl)chromen-4-one|5,7,4'-Trihydroxyflavone|Apegenin|Apigenine|Apigenol|BRN 0262620|C.I. Natural Yellow 1|Chamomile|EINECS 208-292-3|Flavone, 4',5,7-trihydroxy-|LY 080400|NSC 83244|Pelargidenon 1449|Spigenin|UCCF 031|UNII-7V515PI7F6|Versulin|461015-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022391 https://doi.org/10.22427/NTP-DATA-DTXSID6022391
ARPathway2016 ARPathway2016_198 Apigenin 520-36-5 DTXSID6022391 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.156 Unitless OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O Apigenin 520-36-5|Apigenin|2-(p-Hydroxyphenyl)-5,7-dihydroxychromone|4,5, 7-Trihydroxyflavone|4',5,7-Trihydroxy-Flavone|4',5,7-Trihydroxyflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-|5-18-04-00574|5,7-dihidroxi-2-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyron|5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|5,7-Dihydroxy-2-(4-Hydroxyphenyl)chromen-4-one|5,7,4'-Trihydroxyflavone|Apegenin|Apigenine|Apigenol|BRN 0262620|C.I. Natural Yellow 1|Chamomile|EINECS 208-292-3|Flavone, 4',5,7-trihydroxy-|LY 080400|NSC 83244|Pelargidenon 1449|Spigenin|UCCF 031|UNII-7V515PI7F6|Versulin|461015-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022391 https://doi.org/10.22427/NTP-DATA-DTXSID6022391
ARPathway2016 ARPathway2016_198 Apigenin 520-36-5 DTXSID6022391 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0.0403 Unitless OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O Apigenin 520-36-5|Apigenin|2-(p-Hydroxyphenyl)-5,7-dihydroxychromone|4,5, 7-Trihydroxyflavone|4',5,7-Trihydroxy-Flavone|4',5,7-Trihydroxyflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-|5-18-04-00574|5,7-dihidroxi-2-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyron|5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|5,7-Dihydroxy-2-(4-Hydroxyphenyl)chromen-4-one|5,7,4'-Trihydroxyflavone|Apegenin|Apigenine|Apigenol|BRN 0262620|C.I. Natural Yellow 1|Chamomile|EINECS 208-292-3|Flavone, 4',5,7-trihydroxy-|LY 080400|NSC 83244|Pelargidenon 1449|Spigenin|UCCF 031|UNII-7V515PI7F6|Versulin|461015-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022391 https://doi.org/10.22427/NTP-DATA-DTXSID6022391
ARPathway2016 ARPathway2016_198 Apigenin 520-36-5 DTXSID6022391 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O Apigenin 520-36-5|Apigenin|2-(p-Hydroxyphenyl)-5,7-dihydroxychromone|4,5, 7-Trihydroxyflavone|4',5,7-Trihydroxy-Flavone|4',5,7-Trihydroxyflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-|5-18-04-00574|5,7-dihidroxi-2-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyron|5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|5,7-Dihydroxy-2-(4-Hydroxyphenyl)chromen-4-one|5,7,4'-Trihydroxyflavone|Apegenin|Apigenine|Apigenol|BRN 0262620|C.I. Natural Yellow 1|Chamomile|EINECS 208-292-3|Flavone, 4',5,7-trihydroxy-|LY 080400|NSC 83244|Pelargidenon 1449|Spigenin|UCCF 031|UNII-7V515PI7F6|Versulin|461015-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022391 https://doi.org/10.22427/NTP-DATA-DTXSID6022391
ARPathway2016 ARPathway2016_198 Apigenin 520-36-5 DTXSID6022391 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O Apigenin 520-36-5|Apigenin|2-(p-Hydroxyphenyl)-5,7-dihydroxychromone|4,5, 7-Trihydroxyflavone|4',5,7-Trihydroxy-Flavone|4',5,7-Trihydroxyflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-|5-18-04-00574|5,7-dihidroxi-2-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyron|5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|5,7-Dihydroxy-2-(4-Hydroxyphenyl)chromen-4-one|5,7,4'-Trihydroxyflavone|Apegenin|Apigenine|Apigenol|BRN 0262620|C.I. Natural Yellow 1|Chamomile|EINECS 208-292-3|Flavone, 4',5,7-trihydroxy-|LY 080400|NSC 83244|Pelargidenon 1449|Spigenin|UCCF 031|UNII-7V515PI7F6|Versulin|461015-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022391 https://doi.org/10.22427/NTP-DATA-DTXSID6022391
ERPathway2016 ERPathway2016_180 Apigenin 520-36-5 DTXSID6022391 Agonist ER Pathway Model, Antagonist AC50 2.07800239171402 uM OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O Apigenin 520-36-5|Apigenin|2-(p-Hydroxyphenyl)-5,7-dihydroxychromone|4,5, 7-Trihydroxyflavone|4',5,7-Trihydroxy-Flavone|4',5,7-Trihydroxyflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-|5-18-04-00574|5,7-dihidroxi-2-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyron|5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|5,7-Dihydroxy-2-(4-Hydroxyphenyl)chromen-4-one|5,7,4'-Trihydroxyflavone|Apegenin|Apigenine|Apigenol|BRN 0262620|C.I. Natural Yellow 1|Chamomile|EINECS 208-292-3|Flavone, 4',5,7-trihydroxy-|LY 080400|NSC 83244|Pelargidenon 1449|Spigenin|UCCF 031|UNII-7V515PI7F6|Versulin|461015-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022391 https://doi.org/10.22427/NTP-DATA-DTXSID6022391
ERPathway2016 ERPathway2016_180 Apigenin 520-36-5 DTXSID6022391 Agonist ER Pathway Model, Antagonist ACC 0.935788213241416 uM OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O Apigenin 520-36-5|Apigenin|2-(p-Hydroxyphenyl)-5,7-dihydroxychromone|4,5, 7-Trihydroxyflavone|4',5,7-Trihydroxy-Flavone|4',5,7-Trihydroxyflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-|5-18-04-00574|5,7-dihidroxi-2-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyron|5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|5,7-Dihydroxy-2-(4-Hydroxyphenyl)chromen-4-one|5,7,4'-Trihydroxyflavone|Apegenin|Apigenine|Apigenol|BRN 0262620|C.I. Natural Yellow 1|Chamomile|EINECS 208-292-3|Flavone, 4',5,7-trihydroxy-|LY 080400|NSC 83244|Pelargidenon 1449|Spigenin|UCCF 031|UNII-7V515PI7F6|Versulin|461015-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022391 https://doi.org/10.22427/NTP-DATA-DTXSID6022391
ERPathway2016 ERPathway2016_180 Apigenin 520-36-5 DTXSID6022391 Agonist ER Pathway Model, Agonist Model Score 0.307 Unitless OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O Apigenin 520-36-5|Apigenin|2-(p-Hydroxyphenyl)-5,7-dihydroxychromone|4,5, 7-Trihydroxyflavone|4',5,7-Trihydroxy-Flavone|4',5,7-Trihydroxyflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-|5-18-04-00574|5,7-dihidroxi-2-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyron|5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|5,7-Dihydroxy-2-(4-Hydroxyphenyl)chromen-4-one|5,7,4'-Trihydroxyflavone|Apegenin|Apigenine|Apigenol|BRN 0262620|C.I. Natural Yellow 1|Chamomile|EINECS 208-292-3|Flavone, 4',5,7-trihydroxy-|LY 080400|NSC 83244|Pelargidenon 1449|Spigenin|UCCF 031|UNII-7V515PI7F6|Versulin|461015-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022391 https://doi.org/10.22427/NTP-DATA-DTXSID6022391
ERPathway2016 ERPathway2016_180 Apigenin 520-36-5 DTXSID6022391 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O Apigenin 520-36-5|Apigenin|2-(p-Hydroxyphenyl)-5,7-dihydroxychromone|4,5, 7-Trihydroxyflavone|4',5,7-Trihydroxy-Flavone|4',5,7-Trihydroxyflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-|5-18-04-00574|5,7-dihidroxi-2-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyron|5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|5,7-Dihydroxy-2-(4-Hydroxyphenyl)chromen-4-one|5,7,4'-Trihydroxyflavone|Apegenin|Apigenine|Apigenol|BRN 0262620|C.I. Natural Yellow 1|Chamomile|EINECS 208-292-3|Flavone, 4',5,7-trihydroxy-|LY 080400|NSC 83244|Pelargidenon 1449|Spigenin|UCCF 031|UNII-7V515PI7F6|Versulin|461015-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022391 https://doi.org/10.22427/NTP-DATA-DTXSID6022391
ERPathway2016 ERPathway2016_180 Apigenin 520-36-5 DTXSID6022391 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O Apigenin 520-36-5|Apigenin|2-(p-Hydroxyphenyl)-5,7-dihydroxychromone|4,5, 7-Trihydroxyflavone|4',5,7-Trihydroxy-Flavone|4',5,7-Trihydroxyflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-|5-18-04-00574|5,7-dihidroxi-2-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyron|5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|5,7-Dihydroxy-2-(4-Hydroxyphenyl)chromen-4-one|5,7,4'-Trihydroxyflavone|Apegenin|Apigenine|Apigenol|BRN 0262620|C.I. Natural Yellow 1|Chamomile|EINECS 208-292-3|Flavone, 4',5,7-trihydroxy-|LY 080400|NSC 83244|Pelargidenon 1449|Spigenin|UCCF 031|UNII-7V515PI7F6|Versulin|461015-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022391 https://doi.org/10.22427/NTP-DATA-DTXSID6022391
ERPathway2016 ERPathway2016_180 Apigenin 520-36-5 DTXSID6022391 Agonist ER Pathway Model, Antagonist Call Active Unitless OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O Apigenin 520-36-5|Apigenin|2-(p-Hydroxyphenyl)-5,7-dihydroxychromone|4,5, 7-Trihydroxyflavone|4',5,7-Trihydroxy-Flavone|4',5,7-Trihydroxyflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-|5-18-04-00574|5,7-dihidroxi-2-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyron|5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|5,7-Dihydroxy-2-(4-Hydroxyphenyl)chromen-4-one|5,7,4'-Trihydroxyflavone|Apegenin|Apigenine|Apigenol|BRN 0262620|C.I. Natural Yellow 1|Chamomile|EINECS 208-292-3|Flavone, 4',5,7-trihydroxy-|LY 080400|NSC 83244|Pelargidenon 1449|Spigenin|UCCF 031|UNII-7V515PI7F6|Versulin|461015-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022391 https://doi.org/10.22427/NTP-DATA-DTXSID6022391
ARPathway2016 ARPathway2016_180 Aplaviroc hydrochloride 461023-63-2 DTXSID1047316 1.0 A10 AR Pathway Model, Agonist AC50 6.97408303618322 uM Cl.CCCCN1C(=O)[C@H](NC(=O)C11CCN(CC2=CC=C(OC3=CC=C(C=C3)C(O)=O)C=C2)CC1)[C@H](O)C1CCCCC1 Aplaviroc hydrochloride 461023-63-2|Aplaviroc hydrochloride|Aplaviroc HCl|GW873140A - HCl Salt|UNII-04D148Z3VR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047316
ARPathway2016 ARPathway2016_180 Aplaviroc hydrochloride 461023-63-2 DTXSID1047316 1.0 A10 AR Pathway Model, Agonist ACC 9.95307133676816 uM Cl.CCCCN1C(=O)[C@H](NC(=O)C11CCN(CC2=CC=C(OC3=CC=C(C=C3)C(O)=O)C=C2)CC1)[C@H](O)C1CCCCC1 Aplaviroc hydrochloride 461023-63-2|Aplaviroc hydrochloride|Aplaviroc HCl|GW873140A - HCl Salt|UNII-04D148Z3VR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047316
ARPathway2016 ARPathway2016_180 Aplaviroc hydrochloride 461023-63-2 DTXSID1047316 1.0 A10 AR Pathway Model, Antagonist Model Score 0.039 Unitless Cl.CCCCN1C(=O)[C@H](NC(=O)C11CCN(CC2=CC=C(OC3=CC=C(C=C3)C(O)=O)C=C2)CC1)[C@H](O)C1CCCCC1 Aplaviroc hydrochloride 461023-63-2|Aplaviroc hydrochloride|Aplaviroc HCl|GW873140A - HCl Salt|UNII-04D148Z3VR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047316
ARPathway2016 ARPathway2016_180 Aplaviroc hydrochloride 461023-63-2 DTXSID1047316 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless Cl.CCCCN1C(=O)[C@H](NC(=O)C11CCN(CC2=CC=C(OC3=CC=C(C=C3)C(O)=O)C=C2)CC1)[C@H](O)C1CCCCC1 Aplaviroc hydrochloride 461023-63-2|Aplaviroc hydrochloride|Aplaviroc HCl|GW873140A - HCl Salt|UNII-04D148Z3VR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047316
ARPathway2016 ARPathway2016_180 Aplaviroc hydrochloride 461023-63-2 DTXSID1047316 1.0 A10 AR Pathway Model, Agonist Call Active Unitless Cl.CCCCN1C(=O)[C@H](NC(=O)C11CCN(CC2=CC=C(OC3=CC=C(C=C3)C(O)=O)C=C2)CC1)[C@H](O)C1CCCCC1 Aplaviroc hydrochloride 461023-63-2|Aplaviroc hydrochloride|Aplaviroc HCl|GW873140A - HCl Salt|UNII-04D148Z3VR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047316
ARPathway2016 ARPathway2016_180 Aplaviroc hydrochloride 461023-63-2 DTXSID1047316 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless Cl.CCCCN1C(=O)[C@H](NC(=O)C11CCN(CC2=CC=C(OC3=CC=C(C=C3)C(O)=O)C=C2)CC1)[C@H](O)C1CCCCC1 Aplaviroc hydrochloride 461023-63-2|Aplaviroc hydrochloride|Aplaviroc HCl|GW873140A - HCl Salt|UNII-04D148Z3VR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047316
ERPathway2016 ERPathway2016_1487 Aplaviroc hydrochloride 461023-63-2 DTXSID1047316 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CCCCN1C(=O)[C@H](NC(=O)C11CCN(CC2=CC=C(OC3=CC=C(C=C3)C(O)=O)C=C2)CC1)[C@H](O)C1CCCCC1 Aplaviroc hydrochloride 461023-63-2|Aplaviroc hydrochloride|Aplaviroc HCl|GW873140A - HCl Salt|UNII-04D148Z3VR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047316
ERPathway2016 ERPathway2016_1487 Aplaviroc hydrochloride 461023-63-2 DTXSID1047316 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CCCCN1C(=O)[C@H](NC(=O)C11CCN(CC2=CC=C(OC3=CC=C(C=C3)C(O)=O)C=C2)CC1)[C@H](O)C1CCCCC1 Aplaviroc hydrochloride 461023-63-2|Aplaviroc hydrochloride|Aplaviroc HCl|GW873140A - HCl Salt|UNII-04D148Z3VR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047316
ERPathway2016 ERPathway2016_1487 Aplaviroc hydrochloride 461023-63-2 DTXSID1047316 ER Pathway Model, Agonist Call Inactive Unitless Cl.CCCCN1C(=O)[C@H](NC(=O)C11CCN(CC2=CC=C(OC3=CC=C(C=C3)C(O)=O)C=C2)CC1)[C@H](O)C1CCCCC1 Aplaviroc hydrochloride 461023-63-2|Aplaviroc hydrochloride|Aplaviroc HCl|GW873140A - HCl Salt|UNII-04D148Z3VR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047316
ERPathway2016 ERPathway2016_1487 Aplaviroc hydrochloride 461023-63-2 DTXSID1047316 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CCCCN1C(=O)[C@H](NC(=O)C11CCN(CC2=CC=C(OC3=CC=C(C=C3)C(O)=O)C=C2)CC1)[C@H](O)C1CCCCC1 Aplaviroc hydrochloride 461023-63-2|Aplaviroc hydrochloride|Aplaviroc HCl|GW873140A - HCl Salt|UNII-04D148Z3VR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047316
ARPathway2016 ARPathway2016_172 Apomorphine hydrochloride 41372-20-7 DTXSID0048185 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 24.16582846 uM O.Cl.Cl.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1 Apomorphine hydrochloride 41372-20-7|Apomorphine hydrochloride|(6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol hydrochlorid|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hemihydrate, (R)-|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (R)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:2:1), (6aR)-|6abeta-Aporphine-10,11-diol hydrochloride hemihydrate|Apmorphine hydrochloride hemihydrate|Apomorphin hydrochlorid wasser (2/1)|Apomorphine HCl|R-(-)-Apomorphine hydrochloride hemihydrate|R-(-)-Apomorphine hydrochloride hemihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048185
ARPathway2016 ARPathway2016_172 Apomorphine hydrochloride 41372-20-7 DTXSID0048185 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 23.77615169 uM O.Cl.Cl.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1 Apomorphine hydrochloride 41372-20-7|Apomorphine hydrochloride|(6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol hydrochlorid|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hemihydrate, (R)-|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (R)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:2:1), (6aR)-|6abeta-Aporphine-10,11-diol hydrochloride hemihydrate|Apmorphine hydrochloride hemihydrate|Apomorphin hydrochlorid wasser (2/1)|Apomorphine HCl|R-(-)-Apomorphine hydrochloride hemihydrate|R-(-)-Apomorphine hydrochloride hemihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048185
ARPathway2016 ARPathway2016_172 Apomorphine hydrochloride 41372-20-7 DTXSID0048185 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0599 Unitless O.Cl.Cl.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1 Apomorphine hydrochloride 41372-20-7|Apomorphine hydrochloride|(6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol hydrochlorid|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hemihydrate, (R)-|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (R)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:2:1), (6aR)-|6abeta-Aporphine-10,11-diol hydrochloride hemihydrate|Apmorphine hydrochloride hemihydrate|Apomorphin hydrochlorid wasser (2/1)|Apomorphine HCl|R-(-)-Apomorphine hydrochloride hemihydrate|R-(-)-Apomorphine hydrochloride hemihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048185
ARPathway2016 ARPathway2016_172 Apomorphine hydrochloride 41372-20-7 DTXSID0048185 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless O.Cl.Cl.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1 Apomorphine hydrochloride 41372-20-7|Apomorphine hydrochloride|(6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol hydrochlorid|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hemihydrate, (R)-|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (R)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:2:1), (6aR)-|6abeta-Aporphine-10,11-diol hydrochloride hemihydrate|Apmorphine hydrochloride hemihydrate|Apomorphin hydrochlorid wasser (2/1)|Apomorphine HCl|R-(-)-Apomorphine hydrochloride hemihydrate|R-(-)-Apomorphine hydrochloride hemihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048185
ARPathway2016 ARPathway2016_172 Apomorphine hydrochloride 41372-20-7 DTXSID0048185 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless O.Cl.Cl.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1 Apomorphine hydrochloride 41372-20-7|Apomorphine hydrochloride|(6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol hydrochlorid|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hemihydrate, (R)-|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (R)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:2:1), (6aR)-|6abeta-Aporphine-10,11-diol hydrochloride hemihydrate|Apmorphine hydrochloride hemihydrate|Apomorphin hydrochlorid wasser (2/1)|Apomorphine HCl|R-(-)-Apomorphine hydrochloride hemihydrate|R-(-)-Apomorphine hydrochloride hemihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048185
ARPathway2016 ARPathway2016_172 Apomorphine hydrochloride 41372-20-7 DTXSID0048185 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless O.Cl.Cl.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1 Apomorphine hydrochloride 41372-20-7|Apomorphine hydrochloride|(6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol hydrochlorid|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hemihydrate, (R)-|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (R)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:2:1), (6aR)-|6abeta-Aporphine-10,11-diol hydrochloride hemihydrate|Apmorphine hydrochloride hemihydrate|Apomorphin hydrochlorid wasser (2/1)|Apomorphine HCl|R-(-)-Apomorphine hydrochloride hemihydrate|R-(-)-Apomorphine hydrochloride hemihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048185
ERPathway2016 ERPathway2016_30 Apomorphine hydrochloride 41372-20-7 DTXSID0048185 ER Pathway Model, Agonist AC50 0.836011312159782 uM O.Cl.Cl.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1 Apomorphine hydrochloride 41372-20-7|Apomorphine hydrochloride|(6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol hydrochlorid|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hemihydrate, (R)-|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (R)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:2:1), (6aR)-|6abeta-Aporphine-10,11-diol hydrochloride hemihydrate|Apmorphine hydrochloride hemihydrate|Apomorphin hydrochlorid wasser (2/1)|Apomorphine HCl|R-(-)-Apomorphine hydrochloride hemihydrate|R-(-)-Apomorphine hydrochloride hemihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048185
ERPathway2016 ERPathway2016_30 Apomorphine hydrochloride 41372-20-7 DTXSID0048185 ER Pathway Model, Agonist ACC 0.352938122370217 uM O.Cl.Cl.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1 Apomorphine hydrochloride 41372-20-7|Apomorphine hydrochloride|(6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol hydrochlorid|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hemihydrate, (R)-|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (R)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:2:1), (6aR)-|6abeta-Aporphine-10,11-diol hydrochloride hemihydrate|Apmorphine hydrochloride hemihydrate|Apomorphin hydrochlorid wasser (2/1)|Apomorphine HCl|R-(-)-Apomorphine hydrochloride hemihydrate|R-(-)-Apomorphine hydrochloride hemihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048185
ERPathway2016 ERPathway2016_30 Apomorphine hydrochloride 41372-20-7 DTXSID0048185 ER Pathway Model, Agonist Model Score 0.00617 Unitless O.Cl.Cl.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1 Apomorphine hydrochloride 41372-20-7|Apomorphine hydrochloride|(6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol hydrochlorid|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hemihydrate, (R)-|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (R)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:2:1), (6aR)-|6abeta-Aporphine-10,11-diol hydrochloride hemihydrate|Apmorphine hydrochloride hemihydrate|Apomorphin hydrochlorid wasser (2/1)|Apomorphine HCl|R-(-)-Apomorphine hydrochloride hemihydrate|R-(-)-Apomorphine hydrochloride hemihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048185
ERPathway2016 ERPathway2016_30 Apomorphine hydrochloride 41372-20-7 DTXSID0048185 ER Pathway Model, Antagonist Model Score 0.0435 Unitless O.Cl.Cl.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1 Apomorphine hydrochloride 41372-20-7|Apomorphine hydrochloride|(6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol hydrochlorid|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hemihydrate, (R)-|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (R)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:2:1), (6aR)-|6abeta-Aporphine-10,11-diol hydrochloride hemihydrate|Apmorphine hydrochloride hemihydrate|Apomorphin hydrochlorid wasser (2/1)|Apomorphine HCl|R-(-)-Apomorphine hydrochloride hemihydrate|R-(-)-Apomorphine hydrochloride hemihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048185
ERPathway2016 ERPathway2016_30 Apomorphine hydrochloride 41372-20-7 DTXSID0048185 ER Pathway Model, Agonist Call Active Unitless O.Cl.Cl.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1 Apomorphine hydrochloride 41372-20-7|Apomorphine hydrochloride|(6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol hydrochlorid|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hemihydrate, (R)-|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (R)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:2:1), (6aR)-|6abeta-Aporphine-10,11-diol hydrochloride hemihydrate|Apmorphine hydrochloride hemihydrate|Apomorphin hydrochlorid wasser (2/1)|Apomorphine HCl|R-(-)-Apomorphine hydrochloride hemihydrate|R-(-)-Apomorphine hydrochloride hemihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048185
ERPathway2016 ERPathway2016_30 Apomorphine hydrochloride 41372-20-7 DTXSID0048185 ER Pathway Model, Antagonist Call Inactive Unitless O.Cl.Cl.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1 Apomorphine hydrochloride 41372-20-7|Apomorphine hydrochloride|(6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol hydrochlorid|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hemihydrate, (R)-|4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (R)-|4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:2:1), (6aR)-|6abeta-Aporphine-10,11-diol hydrochloride hemihydrate|Apmorphine hydrochloride hemihydrate|Apomorphin hydrochlorid wasser (2/1)|Apomorphine HCl|R-(-)-Apomorphine hydrochloride hemihydrate|R-(-)-Apomorphine hydrochloride hemihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048185
ARPathway2016 ARPathway2016_867 Arabinose 147-81-9 DTXSID8041610 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless OC[C@@H](O)[C@@H](O)[C@H](O)C=O Arabinose 147-81-9|Arabinose|(+/-)-Arabinose|205-699-8|243-619-3|arabinosa|dl-Arabinose|EC No.: 205-699-8|EC No.: 243-619-3|EINECS 205-699-8|EINECS 243-619-3|20235-19-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041610
ARPathway2016 ARPathway2016_867 Arabinose 147-81-9 DTXSID8041610 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless OC[C@@H](O)[C@@H](O)[C@H](O)C=O Arabinose 147-81-9|Arabinose|(+/-)-Arabinose|205-699-8|243-619-3|arabinosa|dl-Arabinose|EC No.: 205-699-8|EC No.: 243-619-3|EINECS 205-699-8|EINECS 243-619-3|20235-19-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041610
ARPathway2016 ARPathway2016_867 Arabinose 147-81-9 DTXSID8041610 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless OC[C@@H](O)[C@@H](O)[C@H](O)C=O Arabinose 147-81-9|Arabinose|(+/-)-Arabinose|205-699-8|243-619-3|arabinosa|dl-Arabinose|EC No.: 205-699-8|EC No.: 243-619-3|EINECS 205-699-8|EINECS 243-619-3|20235-19-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041610
ARPathway2016 ARPathway2016_867 Arabinose 147-81-9 DTXSID8041610 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless OC[C@@H](O)[C@@H](O)[C@H](O)C=O Arabinose 147-81-9|Arabinose|(+/-)-Arabinose|205-699-8|243-619-3|arabinosa|dl-Arabinose|EC No.: 205-699-8|EC No.: 243-619-3|EINECS 205-699-8|EINECS 243-619-3|20235-19-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041610
ERPathway2016 ERPathway2016_707 Arabinose 147-81-9 DTXSID8041610 A1 ER Pathway Model, Agonist Model Score 0 Unitless OC[C@@H](O)[C@@H](O)[C@H](O)C=O Arabinose 147-81-9|Arabinose|(+/-)-Arabinose|205-699-8|243-619-3|arabinosa|dl-Arabinose|EC No.: 205-699-8|EC No.: 243-619-3|EINECS 205-699-8|EINECS 243-619-3|20235-19-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041610
ERPathway2016 ERPathway2016_707 Arabinose 147-81-9 DTXSID8041610 A1 ER Pathway Model, Antagonist Model Score 0 Unitless OC[C@@H](O)[C@@H](O)[C@H](O)C=O Arabinose 147-81-9|Arabinose|(+/-)-Arabinose|205-699-8|243-619-3|arabinosa|dl-Arabinose|EC No.: 205-699-8|EC No.: 243-619-3|EINECS 205-699-8|EINECS 243-619-3|20235-19-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041610
ERPathway2016 ERPathway2016_707 Arabinose 147-81-9 DTXSID8041610 A1 ER Pathway Model, Agonist Call Inactive Unitless OC[C@@H](O)[C@@H](O)[C@H](O)C=O Arabinose 147-81-9|Arabinose|(+/-)-Arabinose|205-699-8|243-619-3|arabinosa|dl-Arabinose|EC No.: 205-699-8|EC No.: 243-619-3|EINECS 205-699-8|EINECS 243-619-3|20235-19-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041610
ERPathway2016 ERPathway2016_707 Arabinose 147-81-9 DTXSID8041610 A1 ER Pathway Model, Antagonist Call Inactive Unitless OC[C@@H](O)[C@@H](O)[C@H](O)C=O Arabinose 147-81-9|Arabinose|(+/-)-Arabinose|205-699-8|243-619-3|arabinosa|dl-Arabinose|EC No.: 205-699-8|EC No.: 243-619-3|EINECS 205-699-8|EINECS 243-619-3|20235-19-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041610
ARPathway2016 ARPathway2016_811 Ascorbyl palmitate 137-66-6 DTXSID3041611 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O Ascorbyl palmitate 137-66-6|Ascorbyl palmitate|1-Ascorbyl palmitate|5-18-05-00031|6-Hexadecanoyl-L-ascorbic acid|6-Monopalmitoyl-L-ascorbate|6-O-Palmitoyl ascorbate|6-O-Palmitoyl-L-ascorbic acid|6-O-Palmitoylascorbic acid|6-O-Palmitoylascorbinsaure|6-Palmitate-L-ascorbic acid|6-Palmitoyl-L-ascorbic acid|6-Palmitoylascorbic acid|Acide 6-O-palmitoylascorbique|acido 6-0-palmitoilascorbico|ASCORBIC ACID (L), 6-HEXADECANOATE|Ascorbic acid 6-palmitate|Ascorbic acid palmitate|Ascorbic palmitate|Ascorboyl palmitate|Ascorbyl 6-hexadecanoate, L-|Ascorbyl 6-palmitate|Ascorbyl monopalmitate|Ascorbyl palmitic acid|Ascorbylpalmitic acid|BRN 0096552|Cetyl ascorbate|EINECS 205-305-4|L-Ascorbic acid 6-hexadecanoate|L-Ascorbic acid 6-palmitate|L-Ascorbic acid, 6-hexadecanoate|L-Ascorbic acid, 6-palmitate|L-Ascorbyl 6-palmitate|L-Ascorbyl monopalmitate|L-Ascorbyl palmitate|NSC 402451|Ondascora|PALMITATE, ASCORBYL|Palmitic acid, 6-ester with ascorbic acid|Palmitic acid, ester with ascorbic acid|Palmitoyl L-ascorbic acid|Quicifal|UNII-QN83US2B0N|1184913-60-7|120398-58-5|162872-43-7|57233-83-7|924964-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041611
ARPathway2016 ARPathway2016_811 Ascorbyl palmitate 137-66-6 DTXSID3041611 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O Ascorbyl palmitate 137-66-6|Ascorbyl palmitate|1-Ascorbyl palmitate|5-18-05-00031|6-Hexadecanoyl-L-ascorbic acid|6-Monopalmitoyl-L-ascorbate|6-O-Palmitoyl ascorbate|6-O-Palmitoyl-L-ascorbic acid|6-O-Palmitoylascorbic acid|6-O-Palmitoylascorbinsaure|6-Palmitate-L-ascorbic acid|6-Palmitoyl-L-ascorbic acid|6-Palmitoylascorbic acid|Acide 6-O-palmitoylascorbique|acido 6-0-palmitoilascorbico|ASCORBIC ACID (L), 6-HEXADECANOATE|Ascorbic acid 6-palmitate|Ascorbic acid palmitate|Ascorbic palmitate|Ascorboyl palmitate|Ascorbyl 6-hexadecanoate, L-|Ascorbyl 6-palmitate|Ascorbyl monopalmitate|Ascorbyl palmitic acid|Ascorbylpalmitic acid|BRN 0096552|Cetyl ascorbate|EINECS 205-305-4|L-Ascorbic acid 6-hexadecanoate|L-Ascorbic acid 6-palmitate|L-Ascorbic acid, 6-hexadecanoate|L-Ascorbic acid, 6-palmitate|L-Ascorbyl 6-palmitate|L-Ascorbyl monopalmitate|L-Ascorbyl palmitate|NSC 402451|Ondascora|PALMITATE, ASCORBYL|Palmitic acid, 6-ester with ascorbic acid|Palmitic acid, ester with ascorbic acid|Palmitoyl L-ascorbic acid|Quicifal|UNII-QN83US2B0N|1184913-60-7|120398-58-5|162872-43-7|57233-83-7|924964-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041611
ARPathway2016 ARPathway2016_811 Ascorbyl palmitate 137-66-6 DTXSID3041611 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O Ascorbyl palmitate 137-66-6|Ascorbyl palmitate|1-Ascorbyl palmitate|5-18-05-00031|6-Hexadecanoyl-L-ascorbic acid|6-Monopalmitoyl-L-ascorbate|6-O-Palmitoyl ascorbate|6-O-Palmitoyl-L-ascorbic acid|6-O-Palmitoylascorbic acid|6-O-Palmitoylascorbinsaure|6-Palmitate-L-ascorbic acid|6-Palmitoyl-L-ascorbic acid|6-Palmitoylascorbic acid|Acide 6-O-palmitoylascorbique|acido 6-0-palmitoilascorbico|ASCORBIC ACID (L), 6-HEXADECANOATE|Ascorbic acid 6-palmitate|Ascorbic acid palmitate|Ascorbic palmitate|Ascorboyl palmitate|Ascorbyl 6-hexadecanoate, L-|Ascorbyl 6-palmitate|Ascorbyl monopalmitate|Ascorbyl palmitic acid|Ascorbylpalmitic acid|BRN 0096552|Cetyl ascorbate|EINECS 205-305-4|L-Ascorbic acid 6-hexadecanoate|L-Ascorbic acid 6-palmitate|L-Ascorbic acid, 6-hexadecanoate|L-Ascorbic acid, 6-palmitate|L-Ascorbyl 6-palmitate|L-Ascorbyl monopalmitate|L-Ascorbyl palmitate|NSC 402451|Ondascora|PALMITATE, ASCORBYL|Palmitic acid, 6-ester with ascorbic acid|Palmitic acid, ester with ascorbic acid|Palmitoyl L-ascorbic acid|Quicifal|UNII-QN83US2B0N|1184913-60-7|120398-58-5|162872-43-7|57233-83-7|924964-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041611
ARPathway2016 ARPathway2016_811 Ascorbyl palmitate 137-66-6 DTXSID3041611 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O Ascorbyl palmitate 137-66-6|Ascorbyl palmitate|1-Ascorbyl palmitate|5-18-05-00031|6-Hexadecanoyl-L-ascorbic acid|6-Monopalmitoyl-L-ascorbate|6-O-Palmitoyl ascorbate|6-O-Palmitoyl-L-ascorbic acid|6-O-Palmitoylascorbic acid|6-O-Palmitoylascorbinsaure|6-Palmitate-L-ascorbic acid|6-Palmitoyl-L-ascorbic acid|6-Palmitoylascorbic acid|Acide 6-O-palmitoylascorbique|acido 6-0-palmitoilascorbico|ASCORBIC ACID (L), 6-HEXADECANOATE|Ascorbic acid 6-palmitate|Ascorbic acid palmitate|Ascorbic palmitate|Ascorboyl palmitate|Ascorbyl 6-hexadecanoate, L-|Ascorbyl 6-palmitate|Ascorbyl monopalmitate|Ascorbyl palmitic acid|Ascorbylpalmitic acid|BRN 0096552|Cetyl ascorbate|EINECS 205-305-4|L-Ascorbic acid 6-hexadecanoate|L-Ascorbic acid 6-palmitate|L-Ascorbic acid, 6-hexadecanoate|L-Ascorbic acid, 6-palmitate|L-Ascorbyl 6-palmitate|L-Ascorbyl monopalmitate|L-Ascorbyl palmitate|NSC 402451|Ondascora|PALMITATE, ASCORBYL|Palmitic acid, 6-ester with ascorbic acid|Palmitic acid, ester with ascorbic acid|Palmitoyl L-ascorbic acid|Quicifal|UNII-QN83US2B0N|1184913-60-7|120398-58-5|162872-43-7|57233-83-7|924964-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041611
ERPathway2016 ERPathway2016_1287 Ascorbyl palmitate 137-66-6 DTXSID3041611 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O Ascorbyl palmitate 137-66-6|Ascorbyl palmitate|1-Ascorbyl palmitate|5-18-05-00031|6-Hexadecanoyl-L-ascorbic acid|6-Monopalmitoyl-L-ascorbate|6-O-Palmitoyl ascorbate|6-O-Palmitoyl-L-ascorbic acid|6-O-Palmitoylascorbic acid|6-O-Palmitoylascorbinsaure|6-Palmitate-L-ascorbic acid|6-Palmitoyl-L-ascorbic acid|6-Palmitoylascorbic acid|Acide 6-O-palmitoylascorbique|acido 6-0-palmitoilascorbico|ASCORBIC ACID (L), 6-HEXADECANOATE|Ascorbic acid 6-palmitate|Ascorbic acid palmitate|Ascorbic palmitate|Ascorboyl palmitate|Ascorbyl 6-hexadecanoate, L-|Ascorbyl 6-palmitate|Ascorbyl monopalmitate|Ascorbyl palmitic acid|Ascorbylpalmitic acid|BRN 0096552|Cetyl ascorbate|EINECS 205-305-4|L-Ascorbic acid 6-hexadecanoate|L-Ascorbic acid 6-palmitate|L-Ascorbic acid, 6-hexadecanoate|L-Ascorbic acid, 6-palmitate|L-Ascorbyl 6-palmitate|L-Ascorbyl monopalmitate|L-Ascorbyl palmitate|NSC 402451|Ondascora|PALMITATE, ASCORBYL|Palmitic acid, 6-ester with ascorbic acid|Palmitic acid, ester with ascorbic acid|Palmitoyl L-ascorbic acid|Quicifal|UNII-QN83US2B0N|1184913-60-7|120398-58-5|162872-43-7|57233-83-7|924964-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041611
ERPathway2016 ERPathway2016_1287 Ascorbyl palmitate 137-66-6 DTXSID3041611 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O Ascorbyl palmitate 137-66-6|Ascorbyl palmitate|1-Ascorbyl palmitate|5-18-05-00031|6-Hexadecanoyl-L-ascorbic acid|6-Monopalmitoyl-L-ascorbate|6-O-Palmitoyl ascorbate|6-O-Palmitoyl-L-ascorbic acid|6-O-Palmitoylascorbic acid|6-O-Palmitoylascorbinsaure|6-Palmitate-L-ascorbic acid|6-Palmitoyl-L-ascorbic acid|6-Palmitoylascorbic acid|Acide 6-O-palmitoylascorbique|acido 6-0-palmitoilascorbico|ASCORBIC ACID (L), 6-HEXADECANOATE|Ascorbic acid 6-palmitate|Ascorbic acid palmitate|Ascorbic palmitate|Ascorboyl palmitate|Ascorbyl 6-hexadecanoate, L-|Ascorbyl 6-palmitate|Ascorbyl monopalmitate|Ascorbyl palmitic acid|Ascorbylpalmitic acid|BRN 0096552|Cetyl ascorbate|EINECS 205-305-4|L-Ascorbic acid 6-hexadecanoate|L-Ascorbic acid 6-palmitate|L-Ascorbic acid, 6-hexadecanoate|L-Ascorbic acid, 6-palmitate|L-Ascorbyl 6-palmitate|L-Ascorbyl monopalmitate|L-Ascorbyl palmitate|NSC 402451|Ondascora|PALMITATE, ASCORBYL|Palmitic acid, 6-ester with ascorbic acid|Palmitic acid, ester with ascorbic acid|Palmitoyl L-ascorbic acid|Quicifal|UNII-QN83US2B0N|1184913-60-7|120398-58-5|162872-43-7|57233-83-7|924964-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041611
ERPathway2016 ERPathway2016_1287 Ascorbyl palmitate 137-66-6 DTXSID3041611 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O Ascorbyl palmitate 137-66-6|Ascorbyl palmitate|1-Ascorbyl palmitate|5-18-05-00031|6-Hexadecanoyl-L-ascorbic acid|6-Monopalmitoyl-L-ascorbate|6-O-Palmitoyl ascorbate|6-O-Palmitoyl-L-ascorbic acid|6-O-Palmitoylascorbic acid|6-O-Palmitoylascorbinsaure|6-Palmitate-L-ascorbic acid|6-Palmitoyl-L-ascorbic acid|6-Palmitoylascorbic acid|Acide 6-O-palmitoylascorbique|acido 6-0-palmitoilascorbico|ASCORBIC ACID (L), 6-HEXADECANOATE|Ascorbic acid 6-palmitate|Ascorbic acid palmitate|Ascorbic palmitate|Ascorboyl palmitate|Ascorbyl 6-hexadecanoate, L-|Ascorbyl 6-palmitate|Ascorbyl monopalmitate|Ascorbyl palmitic acid|Ascorbylpalmitic acid|BRN 0096552|Cetyl ascorbate|EINECS 205-305-4|L-Ascorbic acid 6-hexadecanoate|L-Ascorbic acid 6-palmitate|L-Ascorbic acid, 6-hexadecanoate|L-Ascorbic acid, 6-palmitate|L-Ascorbyl 6-palmitate|L-Ascorbyl monopalmitate|L-Ascorbyl palmitate|NSC 402451|Ondascora|PALMITATE, ASCORBYL|Palmitic acid, 6-ester with ascorbic acid|Palmitic acid, ester with ascorbic acid|Palmitoyl L-ascorbic acid|Quicifal|UNII-QN83US2B0N|1184913-60-7|120398-58-5|162872-43-7|57233-83-7|924964-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041611
ERPathway2016 ERPathway2016_1287 Ascorbyl palmitate 137-66-6 DTXSID3041611 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O Ascorbyl palmitate 137-66-6|Ascorbyl palmitate|1-Ascorbyl palmitate|5-18-05-00031|6-Hexadecanoyl-L-ascorbic acid|6-Monopalmitoyl-L-ascorbate|6-O-Palmitoyl ascorbate|6-O-Palmitoyl-L-ascorbic acid|6-O-Palmitoylascorbic acid|6-O-Palmitoylascorbinsaure|6-Palmitate-L-ascorbic acid|6-Palmitoyl-L-ascorbic acid|6-Palmitoylascorbic acid|Acide 6-O-palmitoylascorbique|acido 6-0-palmitoilascorbico|ASCORBIC ACID (L), 6-HEXADECANOATE|Ascorbic acid 6-palmitate|Ascorbic acid palmitate|Ascorbic palmitate|Ascorboyl palmitate|Ascorbyl 6-hexadecanoate, L-|Ascorbyl 6-palmitate|Ascorbyl monopalmitate|Ascorbyl palmitic acid|Ascorbylpalmitic acid|BRN 0096552|Cetyl ascorbate|EINECS 205-305-4|L-Ascorbic acid 6-hexadecanoate|L-Ascorbic acid 6-palmitate|L-Ascorbic acid, 6-hexadecanoate|L-Ascorbic acid, 6-palmitate|L-Ascorbyl 6-palmitate|L-Ascorbyl monopalmitate|L-Ascorbyl palmitate|NSC 402451|Ondascora|PALMITATE, ASCORBYL|Palmitic acid, 6-ester with ascorbic acid|Palmitic acid, ester with ascorbic acid|Palmitoyl L-ascorbic acid|Quicifal|UNII-QN83US2B0N|1184913-60-7|120398-58-5|162872-43-7|57233-83-7|924964-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041611
ARPathway2016 ARPathway2016_1014 Aspartame 22839-47-0 DTXSID0020107 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O Aspartame 22839-47-0|Aspartame|(3S)-3-amino-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid|1-methyl N-L-alpha-aspartyl-L-phenylalanate|1-Methyl N-L-alpha-aspartyl-L-phenylalanine|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester, stereoisomer|3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid|ASP|Asp-phe-ome|aspartam|Aspartame, L,L-alpha-|aspartamo|Aspartamum|Aspartylphenylalanine methyl ester|Canderel|Dipeptide sweetener|E 951|EINECS 245-261-3|Equal|Finn|L-Aspartame|L-Aspartyl-L-3-phenylalanine methyl ester|L-Aspartyl-L-phenylalanine methyl ester|L-Aspartyl-L-phenylalanyl methyl ester|L-Phenylalanine, L-.alpha.-aspartyl-, 2-methyl ester|L-Phenylalanine, L-a-aspartyl-, 2-methyl ester|L-Phenylalanine, N-L-a-aspartyl-, 1-methyl ester|L-a-Aspartyl-L-phenylalanine methyl ester|Methyl aspartylphenylalanate|Methyl L-alpha-aspartyl-L-phenylalanate|Methyl L-aspartyl-L-phenylalanine|Methyl N-L-alpha-aspartyl-L-phenylalaninate|N-L-alpha-|172964-81-7|53906-69-7|7421-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020107 https://doi.org/10.22427/NTP-DATA-DTXSID0020107
ARPathway2016 ARPathway2016_1014 Aspartame 22839-47-0 DTXSID0020107 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O Aspartame 22839-47-0|Aspartame|(3S)-3-amino-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid|1-methyl N-L-alpha-aspartyl-L-phenylalanate|1-Methyl N-L-alpha-aspartyl-L-phenylalanine|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester, stereoisomer|3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid|ASP|Asp-phe-ome|aspartam|Aspartame, L,L-alpha-|aspartamo|Aspartamum|Aspartylphenylalanine methyl ester|Canderel|Dipeptide sweetener|E 951|EINECS 245-261-3|Equal|Finn|L-Aspartame|L-Aspartyl-L-3-phenylalanine methyl ester|L-Aspartyl-L-phenylalanine methyl ester|L-Aspartyl-L-phenylalanyl methyl ester|L-Phenylalanine, L-.alpha.-aspartyl-, 2-methyl ester|L-Phenylalanine, L-a-aspartyl-, 2-methyl ester|L-Phenylalanine, N-L-a-aspartyl-, 1-methyl ester|L-a-Aspartyl-L-phenylalanine methyl ester|Methyl aspartylphenylalanate|Methyl L-alpha-aspartyl-L-phenylalanate|Methyl L-aspartyl-L-phenylalanine|Methyl N-L-alpha-aspartyl-L-phenylalaninate|N-L-alpha-|172964-81-7|53906-69-7|7421-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020107 https://doi.org/10.22427/NTP-DATA-DTXSID0020107
ARPathway2016 ARPathway2016_1014 Aspartame 22839-47-0 DTXSID0020107 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O Aspartame 22839-47-0|Aspartame|(3S)-3-amino-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid|1-methyl N-L-alpha-aspartyl-L-phenylalanate|1-Methyl N-L-alpha-aspartyl-L-phenylalanine|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester, stereoisomer|3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid|ASP|Asp-phe-ome|aspartam|Aspartame, L,L-alpha-|aspartamo|Aspartamum|Aspartylphenylalanine methyl ester|Canderel|Dipeptide sweetener|E 951|EINECS 245-261-3|Equal|Finn|L-Aspartame|L-Aspartyl-L-3-phenylalanine methyl ester|L-Aspartyl-L-phenylalanine methyl ester|L-Aspartyl-L-phenylalanyl methyl ester|L-Phenylalanine, L-.alpha.-aspartyl-, 2-methyl ester|L-Phenylalanine, L-a-aspartyl-, 2-methyl ester|L-Phenylalanine, N-L-a-aspartyl-, 1-methyl ester|L-a-Aspartyl-L-phenylalanine methyl ester|Methyl aspartylphenylalanate|Methyl L-alpha-aspartyl-L-phenylalanate|Methyl L-aspartyl-L-phenylalanine|Methyl N-L-alpha-aspartyl-L-phenylalaninate|N-L-alpha-|172964-81-7|53906-69-7|7421-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020107 https://doi.org/10.22427/NTP-DATA-DTXSID0020107
ARPathway2016 ARPathway2016_1014 Aspartame 22839-47-0 DTXSID0020107 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O Aspartame 22839-47-0|Aspartame|(3S)-3-amino-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid|1-methyl N-L-alpha-aspartyl-L-phenylalanate|1-Methyl N-L-alpha-aspartyl-L-phenylalanine|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester, stereoisomer|3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid|ASP|Asp-phe-ome|aspartam|Aspartame, L,L-alpha-|aspartamo|Aspartamum|Aspartylphenylalanine methyl ester|Canderel|Dipeptide sweetener|E 951|EINECS 245-261-3|Equal|Finn|L-Aspartame|L-Aspartyl-L-3-phenylalanine methyl ester|L-Aspartyl-L-phenylalanine methyl ester|L-Aspartyl-L-phenylalanyl methyl ester|L-Phenylalanine, L-.alpha.-aspartyl-, 2-methyl ester|L-Phenylalanine, L-a-aspartyl-, 2-methyl ester|L-Phenylalanine, N-L-a-aspartyl-, 1-methyl ester|L-a-Aspartyl-L-phenylalanine methyl ester|Methyl aspartylphenylalanate|Methyl L-alpha-aspartyl-L-phenylalanate|Methyl L-aspartyl-L-phenylalanine|Methyl N-L-alpha-aspartyl-L-phenylalaninate|N-L-alpha-|172964-81-7|53906-69-7|7421-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020107 https://doi.org/10.22427/NTP-DATA-DTXSID0020107
ERPathway2016 ERPathway2016_436 Aspartame 22839-47-0 DTXSID0020107 ER Pathway Model, Antagonist AC50 53.8124788963568 uM COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O Aspartame 22839-47-0|Aspartame|(3S)-3-amino-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid|1-methyl N-L-alpha-aspartyl-L-phenylalanate|1-Methyl N-L-alpha-aspartyl-L-phenylalanine|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester, stereoisomer|3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid|ASP|Asp-phe-ome|aspartam|Aspartame, L,L-alpha-|aspartamo|Aspartamum|Aspartylphenylalanine methyl ester|Canderel|Dipeptide sweetener|E 951|EINECS 245-261-3|Equal|Finn|L-Aspartame|L-Aspartyl-L-3-phenylalanine methyl ester|L-Aspartyl-L-phenylalanine methyl ester|L-Aspartyl-L-phenylalanyl methyl ester|L-Phenylalanine, L-.alpha.-aspartyl-, 2-methyl ester|L-Phenylalanine, L-a-aspartyl-, 2-methyl ester|L-Phenylalanine, N-L-a-aspartyl-, 1-methyl ester|L-a-Aspartyl-L-phenylalanine methyl ester|Methyl aspartylphenylalanate|Methyl L-alpha-aspartyl-L-phenylalanate|Methyl L-aspartyl-L-phenylalanine|Methyl N-L-alpha-aspartyl-L-phenylalaninate|N-L-alpha-|172964-81-7|53906-69-7|7421-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020107 https://doi.org/10.22427/NTP-DATA-DTXSID0020107
ERPathway2016 ERPathway2016_436 Aspartame 22839-47-0 DTXSID0020107 ER Pathway Model, Antagonist ACC 38.6854899573427 uM COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O Aspartame 22839-47-0|Aspartame|(3S)-3-amino-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid|1-methyl N-L-alpha-aspartyl-L-phenylalanate|1-Methyl N-L-alpha-aspartyl-L-phenylalanine|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester, stereoisomer|3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid|ASP|Asp-phe-ome|aspartam|Aspartame, L,L-alpha-|aspartamo|Aspartamum|Aspartylphenylalanine methyl ester|Canderel|Dipeptide sweetener|E 951|EINECS 245-261-3|Equal|Finn|L-Aspartame|L-Aspartyl-L-3-phenylalanine methyl ester|L-Aspartyl-L-phenylalanine methyl ester|L-Aspartyl-L-phenylalanyl methyl ester|L-Phenylalanine, L-.alpha.-aspartyl-, 2-methyl ester|L-Phenylalanine, L-a-aspartyl-, 2-methyl ester|L-Phenylalanine, N-L-a-aspartyl-, 1-methyl ester|L-a-Aspartyl-L-phenylalanine methyl ester|Methyl aspartylphenylalanate|Methyl L-alpha-aspartyl-L-phenylalanate|Methyl L-aspartyl-L-phenylalanine|Methyl N-L-alpha-aspartyl-L-phenylalaninate|N-L-alpha-|172964-81-7|53906-69-7|7421-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020107 https://doi.org/10.22427/NTP-DATA-DTXSID0020107
ERPathway2016 ERPathway2016_436 Aspartame 22839-47-0 DTXSID0020107 ER Pathway Model, Agonist Model Score 0.00559 Unitless COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O Aspartame 22839-47-0|Aspartame|(3S)-3-amino-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid|1-methyl N-L-alpha-aspartyl-L-phenylalanate|1-Methyl N-L-alpha-aspartyl-L-phenylalanine|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester, stereoisomer|3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid|ASP|Asp-phe-ome|aspartam|Aspartame, L,L-alpha-|aspartamo|Aspartamum|Aspartylphenylalanine methyl ester|Canderel|Dipeptide sweetener|E 951|EINECS 245-261-3|Equal|Finn|L-Aspartame|L-Aspartyl-L-3-phenylalanine methyl ester|L-Aspartyl-L-phenylalanine methyl ester|L-Aspartyl-L-phenylalanyl methyl ester|L-Phenylalanine, L-.alpha.-aspartyl-, 2-methyl ester|L-Phenylalanine, L-a-aspartyl-, 2-methyl ester|L-Phenylalanine, N-L-a-aspartyl-, 1-methyl ester|L-a-Aspartyl-L-phenylalanine methyl ester|Methyl aspartylphenylalanate|Methyl L-alpha-aspartyl-L-phenylalanate|Methyl L-aspartyl-L-phenylalanine|Methyl N-L-alpha-aspartyl-L-phenylalaninate|N-L-alpha-|172964-81-7|53906-69-7|7421-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020107 https://doi.org/10.22427/NTP-DATA-DTXSID0020107
ERPathway2016 ERPathway2016_436 Aspartame 22839-47-0 DTXSID0020107 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O Aspartame 22839-47-0|Aspartame|(3S)-3-amino-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid|1-methyl N-L-alpha-aspartyl-L-phenylalanate|1-Methyl N-L-alpha-aspartyl-L-phenylalanine|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester, stereoisomer|3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid|ASP|Asp-phe-ome|aspartam|Aspartame, L,L-alpha-|aspartamo|Aspartamum|Aspartylphenylalanine methyl ester|Canderel|Dipeptide sweetener|E 951|EINECS 245-261-3|Equal|Finn|L-Aspartame|L-Aspartyl-L-3-phenylalanine methyl ester|L-Aspartyl-L-phenylalanine methyl ester|L-Aspartyl-L-phenylalanyl methyl ester|L-Phenylalanine, L-.alpha.-aspartyl-, 2-methyl ester|L-Phenylalanine, L-a-aspartyl-, 2-methyl ester|L-Phenylalanine, N-L-a-aspartyl-, 1-methyl ester|L-a-Aspartyl-L-phenylalanine methyl ester|Methyl aspartylphenylalanate|Methyl L-alpha-aspartyl-L-phenylalanate|Methyl L-aspartyl-L-phenylalanine|Methyl N-L-alpha-aspartyl-L-phenylalaninate|N-L-alpha-|172964-81-7|53906-69-7|7421-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020107 https://doi.org/10.22427/NTP-DATA-DTXSID0020107
ERPathway2016 ERPathway2016_436 Aspartame 22839-47-0 DTXSID0020107 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O Aspartame 22839-47-0|Aspartame|(3S)-3-amino-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid|1-methyl N-L-alpha-aspartyl-L-phenylalanate|1-Methyl N-L-alpha-aspartyl-L-phenylalanine|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester, stereoisomer|3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid|ASP|Asp-phe-ome|aspartam|Aspartame, L,L-alpha-|aspartamo|Aspartamum|Aspartylphenylalanine methyl ester|Canderel|Dipeptide sweetener|E 951|EINECS 245-261-3|Equal|Finn|L-Aspartame|L-Aspartyl-L-3-phenylalanine methyl ester|L-Aspartyl-L-phenylalanine methyl ester|L-Aspartyl-L-phenylalanyl methyl ester|L-Phenylalanine, L-.alpha.-aspartyl-, 2-methyl ester|L-Phenylalanine, L-a-aspartyl-, 2-methyl ester|L-Phenylalanine, N-L-a-aspartyl-, 1-methyl ester|L-a-Aspartyl-L-phenylalanine methyl ester|Methyl aspartylphenylalanate|Methyl L-alpha-aspartyl-L-phenylalanate|Methyl L-aspartyl-L-phenylalanine|Methyl N-L-alpha-aspartyl-L-phenylalaninate|N-L-alpha-|172964-81-7|53906-69-7|7421-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020107 https://doi.org/10.22427/NTP-DATA-DTXSID0020107
ERPathway2016 ERPathway2016_436 Aspartame 22839-47-0 DTXSID0020107 ER Pathway Model, Antagonist Call Active Unitless COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O Aspartame 22839-47-0|Aspartame|(3S)-3-amino-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid|1-methyl N-L-alpha-aspartyl-L-phenylalanate|1-Methyl N-L-alpha-aspartyl-L-phenylalanine|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester, stereoisomer|3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid|ASP|Asp-phe-ome|aspartam|Aspartame, L,L-alpha-|aspartamo|Aspartamum|Aspartylphenylalanine methyl ester|Canderel|Dipeptide sweetener|E 951|EINECS 245-261-3|Equal|Finn|L-Aspartame|L-Aspartyl-L-3-phenylalanine methyl ester|L-Aspartyl-L-phenylalanine methyl ester|L-Aspartyl-L-phenylalanyl methyl ester|L-Phenylalanine, L-.alpha.-aspartyl-, 2-methyl ester|L-Phenylalanine, L-a-aspartyl-, 2-methyl ester|L-Phenylalanine, N-L-a-aspartyl-, 1-methyl ester|L-a-Aspartyl-L-phenylalanine methyl ester|Methyl aspartylphenylalanate|Methyl L-alpha-aspartyl-L-phenylalanate|Methyl L-aspartyl-L-phenylalanine|Methyl N-L-alpha-aspartyl-L-phenylalaninate|N-L-alpha-|172964-81-7|53906-69-7|7421-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020107 https://doi.org/10.22427/NTP-DATA-DTXSID0020107
ARPathway2016 ARPathway2016_1248 Aspirin 50-78-2 DTXSID5020108 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OC1=C(C=CC=C1)C(O)=O Aspirin 50-78-2|Aspirin|2-(Acetyloxy)benzoate|2-(Acetyloxy)benzoic acid|2-(ACETYLOXYBENZOIC) ACID|2-Acetoxybenzoate|2-Acetoxybenzoic acid|2-Carboxyphenyl acetate|4-10-00-00138|8-hour Bayer|A.S.A. Empirin|Acenterine|Acetard|Aceticyl|Acetilsalicilico|Acetilum acidulatum|Acetisal|Acetol|Acetonyl|Acetophen|Acetosal|Acetosalic acid|Acetosalin|Acetylin|Acetylsal|Acetylsalicylate|Acetylsalicylic acid|ACETYLSALICYLSAEURE|Acetylsalicylsaure|Acetylsalycilic acid|Acetyonyl|Acetysal|Acetysalicylic acid|acide 2-(acetyloxy)benzoique|Acide acetylsalicylique|Acide O-acetylsalicylique|Acido acetilsalicilico|Acido O-acetil-benzoico|acido O-acetilsalicilico|Acidum acetylsalicylicum|Acimetten|Acylpyrin|Albyl E|ASA|Asaflow|Asagran|Asaphen|Asatard|Ascolong|Ascriptin|Aspalon|Aspergum|Aspir-Mox|Aspirdrops|Aspirin-Direkt|Aspirina 03|Aspirine|AspirinTest2|Aspro Clear|Aspropharm|Asteric|Azetylsalizylsaeure|Bayer Extra Strength Aspirin for Migraine Pain|Benaspir|Benzoic acid, 2-(acetyloxy)-|Bi-prin|Bialpirina|Bialpirinia|BRN 0779271|Bufferin|Caprin|Cardioaspir|11126-35-5|11126-37-7|2087491-38-9|2349-94-2|26914-13-6|98201-60-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020108 https://doi.org/10.22427/NTP-DATA-DTXSID5020108
ARPathway2016 ARPathway2016_1248 Aspirin 50-78-2 DTXSID5020108 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)OC1=C(C=CC=C1)C(O)=O Aspirin 50-78-2|Aspirin|2-(Acetyloxy)benzoate|2-(Acetyloxy)benzoic acid|2-(ACETYLOXYBENZOIC) ACID|2-Acetoxybenzoate|2-Acetoxybenzoic acid|2-Carboxyphenyl acetate|4-10-00-00138|8-hour Bayer|A.S.A. Empirin|Acenterine|Acetard|Aceticyl|Acetilsalicilico|Acetilum acidulatum|Acetisal|Acetol|Acetonyl|Acetophen|Acetosal|Acetosalic acid|Acetosalin|Acetylin|Acetylsal|Acetylsalicylate|Acetylsalicylic acid|ACETYLSALICYLSAEURE|Acetylsalicylsaure|Acetylsalycilic acid|Acetyonyl|Acetysal|Acetysalicylic acid|acide 2-(acetyloxy)benzoique|Acide acetylsalicylique|Acide O-acetylsalicylique|Acido acetilsalicilico|Acido O-acetil-benzoico|acido O-acetilsalicilico|Acidum acetylsalicylicum|Acimetten|Acylpyrin|Albyl E|ASA|Asaflow|Asagran|Asaphen|Asatard|Ascolong|Ascriptin|Aspalon|Aspergum|Aspir-Mox|Aspirdrops|Aspirin-Direkt|Aspirina 03|Aspirine|AspirinTest2|Aspro Clear|Aspropharm|Asteric|Azetylsalizylsaeure|Bayer Extra Strength Aspirin for Migraine Pain|Benaspir|Benzoic acid, 2-(acetyloxy)-|Bi-prin|Bialpirina|Bialpirinia|BRN 0779271|Bufferin|Caprin|Cardioaspir|11126-35-5|11126-37-7|2087491-38-9|2349-94-2|26914-13-6|98201-60-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020108 https://doi.org/10.22427/NTP-DATA-DTXSID5020108
ARPathway2016 ARPathway2016_1248 Aspirin 50-78-2 DTXSID5020108 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)OC1=C(C=CC=C1)C(O)=O Aspirin 50-78-2|Aspirin|2-(Acetyloxy)benzoate|2-(Acetyloxy)benzoic acid|2-(ACETYLOXYBENZOIC) ACID|2-Acetoxybenzoate|2-Acetoxybenzoic acid|2-Carboxyphenyl acetate|4-10-00-00138|8-hour Bayer|A.S.A. Empirin|Acenterine|Acetard|Aceticyl|Acetilsalicilico|Acetilum acidulatum|Acetisal|Acetol|Acetonyl|Acetophen|Acetosal|Acetosalic acid|Acetosalin|Acetylin|Acetylsal|Acetylsalicylate|Acetylsalicylic acid|ACETYLSALICYLSAEURE|Acetylsalicylsaure|Acetylsalycilic acid|Acetyonyl|Acetysal|Acetysalicylic acid|acide 2-(acetyloxy)benzoique|Acide acetylsalicylique|Acide O-acetylsalicylique|Acido acetilsalicilico|Acido O-acetil-benzoico|acido O-acetilsalicilico|Acidum acetylsalicylicum|Acimetten|Acylpyrin|Albyl E|ASA|Asaflow|Asagran|Asaphen|Asatard|Ascolong|Ascriptin|Aspalon|Aspergum|Aspir-Mox|Aspirdrops|Aspirin-Direkt|Aspirina 03|Aspirine|AspirinTest2|Aspro Clear|Aspropharm|Asteric|Azetylsalizylsaeure|Bayer Extra Strength Aspirin for Migraine Pain|Benaspir|Benzoic acid, 2-(acetyloxy)-|Bi-prin|Bialpirina|Bialpirinia|BRN 0779271|Bufferin|Caprin|Cardioaspir|11126-35-5|11126-37-7|2087491-38-9|2349-94-2|26914-13-6|98201-60-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020108 https://doi.org/10.22427/NTP-DATA-DTXSID5020108
ARPathway2016 ARPathway2016_1248 Aspirin 50-78-2 DTXSID5020108 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)OC1=C(C=CC=C1)C(O)=O Aspirin 50-78-2|Aspirin|2-(Acetyloxy)benzoate|2-(Acetyloxy)benzoic acid|2-(ACETYLOXYBENZOIC) ACID|2-Acetoxybenzoate|2-Acetoxybenzoic acid|2-Carboxyphenyl acetate|4-10-00-00138|8-hour Bayer|A.S.A. Empirin|Acenterine|Acetard|Aceticyl|Acetilsalicilico|Acetilum acidulatum|Acetisal|Acetol|Acetonyl|Acetophen|Acetosal|Acetosalic acid|Acetosalin|Acetylin|Acetylsal|Acetylsalicylate|Acetylsalicylic acid|ACETYLSALICYLSAEURE|Acetylsalicylsaure|Acetylsalycilic acid|Acetyonyl|Acetysal|Acetysalicylic acid|acide 2-(acetyloxy)benzoique|Acide acetylsalicylique|Acide O-acetylsalicylique|Acido acetilsalicilico|Acido O-acetil-benzoico|acido O-acetilsalicilico|Acidum acetylsalicylicum|Acimetten|Acylpyrin|Albyl E|ASA|Asaflow|Asagran|Asaphen|Asatard|Ascolong|Ascriptin|Aspalon|Aspergum|Aspir-Mox|Aspirdrops|Aspirin-Direkt|Aspirina 03|Aspirine|AspirinTest2|Aspro Clear|Aspropharm|Asteric|Azetylsalizylsaeure|Bayer Extra Strength Aspirin for Migraine Pain|Benaspir|Benzoic acid, 2-(acetyloxy)-|Bi-prin|Bialpirina|Bialpirinia|BRN 0779271|Bufferin|Caprin|Cardioaspir|11126-35-5|11126-37-7|2087491-38-9|2349-94-2|26914-13-6|98201-60-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020108 https://doi.org/10.22427/NTP-DATA-DTXSID5020108
ERPathway2016 ERPathway2016_1499 Aspirin 50-78-2 DTXSID5020108 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)OC1=C(C=CC=C1)C(O)=O Aspirin 50-78-2|Aspirin|2-(Acetyloxy)benzoate|2-(Acetyloxy)benzoic acid|2-(ACETYLOXYBENZOIC) ACID|2-Acetoxybenzoate|2-Acetoxybenzoic acid|2-Carboxyphenyl acetate|4-10-00-00138|8-hour Bayer|A.S.A. Empirin|Acenterine|Acetard|Aceticyl|Acetilsalicilico|Acetilum acidulatum|Acetisal|Acetol|Acetonyl|Acetophen|Acetosal|Acetosalic acid|Acetosalin|Acetylin|Acetylsal|Acetylsalicylate|Acetylsalicylic acid|ACETYLSALICYLSAEURE|Acetylsalicylsaure|Acetylsalycilic acid|Acetyonyl|Acetysal|Acetysalicylic acid|acide 2-(acetyloxy)benzoique|Acide acetylsalicylique|Acide O-acetylsalicylique|Acido acetilsalicilico|Acido O-acetil-benzoico|acido O-acetilsalicilico|Acidum acetylsalicylicum|Acimetten|Acylpyrin|Albyl E|ASA|Asaflow|Asagran|Asaphen|Asatard|Ascolong|Ascriptin|Aspalon|Aspergum|Aspir-Mox|Aspirdrops|Aspirin-Direkt|Aspirina 03|Aspirine|AspirinTest2|Aspro Clear|Aspropharm|Asteric|Azetylsalizylsaeure|Bayer Extra Strength Aspirin for Migraine Pain|Benaspir|Benzoic acid, 2-(acetyloxy)-|Bi-prin|Bialpirina|Bialpirinia|BRN 0779271|Bufferin|Caprin|Cardioaspir|11126-35-5|11126-37-7|2087491-38-9|2349-94-2|26914-13-6|98201-60-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020108 https://doi.org/10.22427/NTP-DATA-DTXSID5020108
ERPathway2016 ERPathway2016_1499 Aspirin 50-78-2 DTXSID5020108 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OC1=C(C=CC=C1)C(O)=O Aspirin 50-78-2|Aspirin|2-(Acetyloxy)benzoate|2-(Acetyloxy)benzoic acid|2-(ACETYLOXYBENZOIC) ACID|2-Acetoxybenzoate|2-Acetoxybenzoic acid|2-Carboxyphenyl acetate|4-10-00-00138|8-hour Bayer|A.S.A. Empirin|Acenterine|Acetard|Aceticyl|Acetilsalicilico|Acetilum acidulatum|Acetisal|Acetol|Acetonyl|Acetophen|Acetosal|Acetosalic acid|Acetosalin|Acetylin|Acetylsal|Acetylsalicylate|Acetylsalicylic acid|ACETYLSALICYLSAEURE|Acetylsalicylsaure|Acetylsalycilic acid|Acetyonyl|Acetysal|Acetysalicylic acid|acide 2-(acetyloxy)benzoique|Acide acetylsalicylique|Acide O-acetylsalicylique|Acido acetilsalicilico|Acido O-acetil-benzoico|acido O-acetilsalicilico|Acidum acetylsalicylicum|Acimetten|Acylpyrin|Albyl E|ASA|Asaflow|Asagran|Asaphen|Asatard|Ascolong|Ascriptin|Aspalon|Aspergum|Aspir-Mox|Aspirdrops|Aspirin-Direkt|Aspirina 03|Aspirine|AspirinTest2|Aspro Clear|Aspropharm|Asteric|Azetylsalizylsaeure|Bayer Extra Strength Aspirin for Migraine Pain|Benaspir|Benzoic acid, 2-(acetyloxy)-|Bi-prin|Bialpirina|Bialpirinia|BRN 0779271|Bufferin|Caprin|Cardioaspir|11126-35-5|11126-37-7|2087491-38-9|2349-94-2|26914-13-6|98201-60-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020108 https://doi.org/10.22427/NTP-DATA-DTXSID5020108
ERPathway2016 ERPathway2016_1499 Aspirin 50-78-2 DTXSID5020108 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)OC1=C(C=CC=C1)C(O)=O Aspirin 50-78-2|Aspirin|2-(Acetyloxy)benzoate|2-(Acetyloxy)benzoic acid|2-(ACETYLOXYBENZOIC) ACID|2-Acetoxybenzoate|2-Acetoxybenzoic acid|2-Carboxyphenyl acetate|4-10-00-00138|8-hour Bayer|A.S.A. Empirin|Acenterine|Acetard|Aceticyl|Acetilsalicilico|Acetilum acidulatum|Acetisal|Acetol|Acetonyl|Acetophen|Acetosal|Acetosalic acid|Acetosalin|Acetylin|Acetylsal|Acetylsalicylate|Acetylsalicylic acid|ACETYLSALICYLSAEURE|Acetylsalicylsaure|Acetylsalycilic acid|Acetyonyl|Acetysal|Acetysalicylic acid|acide 2-(acetyloxy)benzoique|Acide acetylsalicylique|Acide O-acetylsalicylique|Acido acetilsalicilico|Acido O-acetil-benzoico|acido O-acetilsalicilico|Acidum acetylsalicylicum|Acimetten|Acylpyrin|Albyl E|ASA|Asaflow|Asagran|Asaphen|Asatard|Ascolong|Ascriptin|Aspalon|Aspergum|Aspir-Mox|Aspirdrops|Aspirin-Direkt|Aspirina 03|Aspirine|AspirinTest2|Aspro Clear|Aspropharm|Asteric|Azetylsalizylsaeure|Bayer Extra Strength Aspirin for Migraine Pain|Benaspir|Benzoic acid, 2-(acetyloxy)-|Bi-prin|Bialpirina|Bialpirinia|BRN 0779271|Bufferin|Caprin|Cardioaspir|11126-35-5|11126-37-7|2087491-38-9|2349-94-2|26914-13-6|98201-60-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020108 https://doi.org/10.22427/NTP-DATA-DTXSID5020108
ERPathway2016 ERPathway2016_1499 Aspirin 50-78-2 DTXSID5020108 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)OC1=C(C=CC=C1)C(O)=O Aspirin 50-78-2|Aspirin|2-(Acetyloxy)benzoate|2-(Acetyloxy)benzoic acid|2-(ACETYLOXYBENZOIC) ACID|2-Acetoxybenzoate|2-Acetoxybenzoic acid|2-Carboxyphenyl acetate|4-10-00-00138|8-hour Bayer|A.S.A. Empirin|Acenterine|Acetard|Aceticyl|Acetilsalicilico|Acetilum acidulatum|Acetisal|Acetol|Acetonyl|Acetophen|Acetosal|Acetosalic acid|Acetosalin|Acetylin|Acetylsal|Acetylsalicylate|Acetylsalicylic acid|ACETYLSALICYLSAEURE|Acetylsalicylsaure|Acetylsalycilic acid|Acetyonyl|Acetysal|Acetysalicylic acid|acide 2-(acetyloxy)benzoique|Acide acetylsalicylique|Acide O-acetylsalicylique|Acido acetilsalicilico|Acido O-acetil-benzoico|acido O-acetilsalicilico|Acidum acetylsalicylicum|Acimetten|Acylpyrin|Albyl E|ASA|Asaflow|Asagran|Asaphen|Asatard|Ascolong|Ascriptin|Aspalon|Aspergum|Aspir-Mox|Aspirdrops|Aspirin-Direkt|Aspirina 03|Aspirine|AspirinTest2|Aspro Clear|Aspropharm|Asteric|Azetylsalizylsaeure|Bayer Extra Strength Aspirin for Migraine Pain|Benaspir|Benzoic acid, 2-(acetyloxy)-|Bi-prin|Bialpirina|Bialpirinia|BRN 0779271|Bufferin|Caprin|Cardioaspir|11126-35-5|11126-37-7|2087491-38-9|2349-94-2|26914-13-6|98201-60-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020108 https://doi.org/10.22427/NTP-DATA-DTXSID5020108
ARPathway2016 ARPathway2016_1150 Asulam 3337-71-1 DTXSID8023890 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)NS(=O)(=O)C1=CC=C(N)C=C1 Asulam 3337-71-1|Asulam|3-14-00-01967|4-Amino-benzolsulfonyl-methylcarbamat|Asulame|Asulox F|BRN 2697523|Carbamic acid, ((4-aminophenyl)sulfonyl)-, methyl ester, monosodium salt|Carbamic acid, sulfanilyl-, methyl ester|Caswell No. 062A|EINECS 222-077-1|EPA Pesticide Chemical Code 106901|M and B 9057|Methyl ((4-aminophenyl)sulfonyl)carbamate|Methyl 4-aminobenzenesulphonyl carbamate|Methyl 4-aminobenzenesulphonylcarbamate|Methyl 4-aminophenylsulphonyl carbamate|Methyl 4-aminophenylsulphonylcarbamate|Methyl N-(4-aminobenzenesulfonyl)carbamate|Methyl sulfanilyl carbamate|Methyl sulfanilylcarbamate|Methyl sulphanilylcarbamate|N(sup 1)-Methoxycarbonylsulfanilamide|UNII-0Y5ASM7P5S https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023890
ARPathway2016 ARPathway2016_1150 Asulam 3337-71-1 DTXSID8023890 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)NS(=O)(=O)C1=CC=C(N)C=C1 Asulam 3337-71-1|Asulam|3-14-00-01967|4-Amino-benzolsulfonyl-methylcarbamat|Asulame|Asulox F|BRN 2697523|Carbamic acid, ((4-aminophenyl)sulfonyl)-, methyl ester, monosodium salt|Carbamic acid, sulfanilyl-, methyl ester|Caswell No. 062A|EINECS 222-077-1|EPA Pesticide Chemical Code 106901|M and B 9057|Methyl ((4-aminophenyl)sulfonyl)carbamate|Methyl 4-aminobenzenesulphonyl carbamate|Methyl 4-aminobenzenesulphonylcarbamate|Methyl 4-aminophenylsulphonyl carbamate|Methyl 4-aminophenylsulphonylcarbamate|Methyl N-(4-aminobenzenesulfonyl)carbamate|Methyl sulfanilyl carbamate|Methyl sulfanilylcarbamate|Methyl sulphanilylcarbamate|N(sup 1)-Methoxycarbonylsulfanilamide|UNII-0Y5ASM7P5S https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023890
ARPathway2016 ARPathway2016_1150 Asulam 3337-71-1 DTXSID8023890 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)NS(=O)(=O)C1=CC=C(N)C=C1 Asulam 3337-71-1|Asulam|3-14-00-01967|4-Amino-benzolsulfonyl-methylcarbamat|Asulame|Asulox F|BRN 2697523|Carbamic acid, ((4-aminophenyl)sulfonyl)-, methyl ester, monosodium salt|Carbamic acid, sulfanilyl-, methyl ester|Caswell No. 062A|EINECS 222-077-1|EPA Pesticide Chemical Code 106901|M and B 9057|Methyl ((4-aminophenyl)sulfonyl)carbamate|Methyl 4-aminobenzenesulphonyl carbamate|Methyl 4-aminobenzenesulphonylcarbamate|Methyl 4-aminophenylsulphonyl carbamate|Methyl 4-aminophenylsulphonylcarbamate|Methyl N-(4-aminobenzenesulfonyl)carbamate|Methyl sulfanilyl carbamate|Methyl sulfanilylcarbamate|Methyl sulphanilylcarbamate|N(sup 1)-Methoxycarbonylsulfanilamide|UNII-0Y5ASM7P5S https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023890
ARPathway2016 ARPathway2016_1150 Asulam 3337-71-1 DTXSID8023890 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)NS(=O)(=O)C1=CC=C(N)C=C1 Asulam 3337-71-1|Asulam|3-14-00-01967|4-Amino-benzolsulfonyl-methylcarbamat|Asulame|Asulox F|BRN 2697523|Carbamic acid, ((4-aminophenyl)sulfonyl)-, methyl ester, monosodium salt|Carbamic acid, sulfanilyl-, methyl ester|Caswell No. 062A|EINECS 222-077-1|EPA Pesticide Chemical Code 106901|M and B 9057|Methyl ((4-aminophenyl)sulfonyl)carbamate|Methyl 4-aminobenzenesulphonyl carbamate|Methyl 4-aminobenzenesulphonylcarbamate|Methyl 4-aminophenylsulphonyl carbamate|Methyl 4-aminophenylsulphonylcarbamate|Methyl N-(4-aminobenzenesulfonyl)carbamate|Methyl sulfanilyl carbamate|Methyl sulfanilylcarbamate|Methyl sulphanilylcarbamate|N(sup 1)-Methoxycarbonylsulfanilamide|UNII-0Y5ASM7P5S https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023890
ERPathway2016 ERPathway2016_1456 Asulam 3337-71-1 DTXSID8023890 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)NS(=O)(=O)C1=CC=C(N)C=C1 Asulam 3337-71-1|Asulam|3-14-00-01967|4-Amino-benzolsulfonyl-methylcarbamat|Asulame|Asulox F|BRN 2697523|Carbamic acid, ((4-aminophenyl)sulfonyl)-, methyl ester, monosodium salt|Carbamic acid, sulfanilyl-, methyl ester|Caswell No. 062A|EINECS 222-077-1|EPA Pesticide Chemical Code 106901|M and B 9057|Methyl ((4-aminophenyl)sulfonyl)carbamate|Methyl 4-aminobenzenesulphonyl carbamate|Methyl 4-aminobenzenesulphonylcarbamate|Methyl 4-aminophenylsulphonyl carbamate|Methyl 4-aminophenylsulphonylcarbamate|Methyl N-(4-aminobenzenesulfonyl)carbamate|Methyl sulfanilyl carbamate|Methyl sulfanilylcarbamate|Methyl sulphanilylcarbamate|N(sup 1)-Methoxycarbonylsulfanilamide|UNII-0Y5ASM7P5S https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023890
ERPathway2016 ERPathway2016_1456 Asulam 3337-71-1 DTXSID8023890 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)NS(=O)(=O)C1=CC=C(N)C=C1 Asulam 3337-71-1|Asulam|3-14-00-01967|4-Amino-benzolsulfonyl-methylcarbamat|Asulame|Asulox F|BRN 2697523|Carbamic acid, ((4-aminophenyl)sulfonyl)-, methyl ester, monosodium salt|Carbamic acid, sulfanilyl-, methyl ester|Caswell No. 062A|EINECS 222-077-1|EPA Pesticide Chemical Code 106901|M and B 9057|Methyl ((4-aminophenyl)sulfonyl)carbamate|Methyl 4-aminobenzenesulphonyl carbamate|Methyl 4-aminobenzenesulphonylcarbamate|Methyl 4-aminophenylsulphonyl carbamate|Methyl 4-aminophenylsulphonylcarbamate|Methyl N-(4-aminobenzenesulfonyl)carbamate|Methyl sulfanilyl carbamate|Methyl sulfanilylcarbamate|Methyl sulphanilylcarbamate|N(sup 1)-Methoxycarbonylsulfanilamide|UNII-0Y5ASM7P5S https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023890
ERPathway2016 ERPathway2016_1456 Asulam 3337-71-1 DTXSID8023890 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)NS(=O)(=O)C1=CC=C(N)C=C1 Asulam 3337-71-1|Asulam|3-14-00-01967|4-Amino-benzolsulfonyl-methylcarbamat|Asulame|Asulox F|BRN 2697523|Carbamic acid, ((4-aminophenyl)sulfonyl)-, methyl ester, monosodium salt|Carbamic acid, sulfanilyl-, methyl ester|Caswell No. 062A|EINECS 222-077-1|EPA Pesticide Chemical Code 106901|M and B 9057|Methyl ((4-aminophenyl)sulfonyl)carbamate|Methyl 4-aminobenzenesulphonyl carbamate|Methyl 4-aminobenzenesulphonylcarbamate|Methyl 4-aminophenylsulphonyl carbamate|Methyl 4-aminophenylsulphonylcarbamate|Methyl N-(4-aminobenzenesulfonyl)carbamate|Methyl sulfanilyl carbamate|Methyl sulfanilylcarbamate|Methyl sulphanilylcarbamate|N(sup 1)-Methoxycarbonylsulfanilamide|UNII-0Y5ASM7P5S https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023890
ERPathway2016 ERPathway2016_1456 Asulam 3337-71-1 DTXSID8023890 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)NS(=O)(=O)C1=CC=C(N)C=C1 Asulam 3337-71-1|Asulam|3-14-00-01967|4-Amino-benzolsulfonyl-methylcarbamat|Asulame|Asulox F|BRN 2697523|Carbamic acid, ((4-aminophenyl)sulfonyl)-, methyl ester, monosodium salt|Carbamic acid, sulfanilyl-, methyl ester|Caswell No. 062A|EINECS 222-077-1|EPA Pesticide Chemical Code 106901|M and B 9057|Methyl ((4-aminophenyl)sulfonyl)carbamate|Methyl 4-aminobenzenesulphonyl carbamate|Methyl 4-aminobenzenesulphonylcarbamate|Methyl 4-aminophenylsulphonyl carbamate|Methyl 4-aminophenylsulphonylcarbamate|Methyl N-(4-aminobenzenesulfonyl)carbamate|Methyl sulfanilyl carbamate|Methyl sulfanilylcarbamate|Methyl sulphanilylcarbamate|N(sup 1)-Methoxycarbonylsulfanilamide|UNII-0Y5ASM7P5S https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023890
ARPathway2016 ARPathway2016_1108 Atenolol 29122-68-7 DTXSID2022628 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1 Atenolol 29122-68-7|Atenolol|(+/-)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide|(+/-)-Atenolol|(R,S)-Atenolol|(RS)-Atenolol|1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol|2-(4-(2-Hydroxy-3-isopropylaminopropoxy)phenyl)acetamid|2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide|4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide|4-[2'-Hydroxy-3'-(isopropylamino)propoxy]phenylacetamide|Acetamide, 2-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)-|Acetamide, 2-[p-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-|Aircrit|Alinor|Altol|Anselol|Antipressan|Apo-Atenolol|Atcardil|Atecard|AteHexal|Atenblock|Atendol|Atenet|Ateni|Atenil|Atenol 1A pharma|Atenol acis|Atenol AL|Atenol Atid|Atenol Cophar|Atenol ct|Atenol Fecofar|Atenol Gador|Atenol Genericon|Atenol GNR|Atenol Heumann|Atenol MSD|Atenol NM Pharma|Atenol Nordic|Atenol PB|Atenol Quesada|Atenol Stada|Atenol Tika|Atenol Trom|Atenol von ct|Atenol-Mepha|Atenol-ratiopharm|Atenol-Wolff|Atenolin|Atenolol (JAN/USP)|Atenolol [USAN:BAN:INN:JAN]|Atenololum|At|106020-65-9|60966-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022628
ARPathway2016 ARPathway2016_1108 Atenolol 29122-68-7 DTXSID2022628 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1 Atenolol 29122-68-7|Atenolol|(+/-)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide|(+/-)-Atenolol|(R,S)-Atenolol|(RS)-Atenolol|1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol|2-(4-(2-Hydroxy-3-isopropylaminopropoxy)phenyl)acetamid|2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide|4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide|4-[2'-Hydroxy-3'-(isopropylamino)propoxy]phenylacetamide|Acetamide, 2-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)-|Acetamide, 2-[p-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-|Aircrit|Alinor|Altol|Anselol|Antipressan|Apo-Atenolol|Atcardil|Atecard|AteHexal|Atenblock|Atendol|Atenet|Ateni|Atenil|Atenol 1A pharma|Atenol acis|Atenol AL|Atenol Atid|Atenol Cophar|Atenol ct|Atenol Fecofar|Atenol Gador|Atenol Genericon|Atenol GNR|Atenol Heumann|Atenol MSD|Atenol NM Pharma|Atenol Nordic|Atenol PB|Atenol Quesada|Atenol Stada|Atenol Tika|Atenol Trom|Atenol von ct|Atenol-Mepha|Atenol-ratiopharm|Atenol-Wolff|Atenolin|Atenolol (JAN/USP)|Atenolol [USAN:BAN:INN:JAN]|Atenololum|At|106020-65-9|60966-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022628
ARPathway2016 ARPathway2016_1108 Atenolol 29122-68-7 DTXSID2022628 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1 Atenolol 29122-68-7|Atenolol|(+/-)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide|(+/-)-Atenolol|(R,S)-Atenolol|(RS)-Atenolol|1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol|2-(4-(2-Hydroxy-3-isopropylaminopropoxy)phenyl)acetamid|2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide|4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide|4-[2'-Hydroxy-3'-(isopropylamino)propoxy]phenylacetamide|Acetamide, 2-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)-|Acetamide, 2-[p-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-|Aircrit|Alinor|Altol|Anselol|Antipressan|Apo-Atenolol|Atcardil|Atecard|AteHexal|Atenblock|Atendol|Atenet|Ateni|Atenil|Atenol 1A pharma|Atenol acis|Atenol AL|Atenol Atid|Atenol Cophar|Atenol ct|Atenol Fecofar|Atenol Gador|Atenol Genericon|Atenol GNR|Atenol Heumann|Atenol MSD|Atenol NM Pharma|Atenol Nordic|Atenol PB|Atenol Quesada|Atenol Stada|Atenol Tika|Atenol Trom|Atenol von ct|Atenol-Mepha|Atenol-ratiopharm|Atenol-Wolff|Atenolin|Atenolol (JAN/USP)|Atenolol [USAN:BAN:INN:JAN]|Atenololum|At|106020-65-9|60966-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022628
ARPathway2016 ARPathway2016_1108 Atenolol 29122-68-7 DTXSID2022628 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1 Atenolol 29122-68-7|Atenolol|(+/-)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide|(+/-)-Atenolol|(R,S)-Atenolol|(RS)-Atenolol|1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol|2-(4-(2-Hydroxy-3-isopropylaminopropoxy)phenyl)acetamid|2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide|4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide|4-[2'-Hydroxy-3'-(isopropylamino)propoxy]phenylacetamide|Acetamide, 2-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)-|Acetamide, 2-[p-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-|Aircrit|Alinor|Altol|Anselol|Antipressan|Apo-Atenolol|Atcardil|Atecard|AteHexal|Atenblock|Atendol|Atenet|Ateni|Atenil|Atenol 1A pharma|Atenol acis|Atenol AL|Atenol Atid|Atenol Cophar|Atenol ct|Atenol Fecofar|Atenol Gador|Atenol Genericon|Atenol GNR|Atenol Heumann|Atenol MSD|Atenol NM Pharma|Atenol Nordic|Atenol PB|Atenol Quesada|Atenol Stada|Atenol Tika|Atenol Trom|Atenol von ct|Atenol-Mepha|Atenol-ratiopharm|Atenol-Wolff|Atenolin|Atenolol (JAN/USP)|Atenolol [USAN:BAN:INN:JAN]|Atenololum|At|106020-65-9|60966-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022628
ERPathway2016 ERPathway2016_981 Atenolol 29122-68-7 DTXSID2022628 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1 Atenolol 29122-68-7|Atenolol|(+/-)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide|(+/-)-Atenolol|(R,S)-Atenolol|(RS)-Atenolol|1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol|2-(4-(2-Hydroxy-3-isopropylaminopropoxy)phenyl)acetamid|2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide|4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide|4-[2'-Hydroxy-3'-(isopropylamino)propoxy]phenylacetamide|Acetamide, 2-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)-|Acetamide, 2-[p-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-|Aircrit|Alinor|Altol|Anselol|Antipressan|Apo-Atenolol|Atcardil|Atecard|AteHexal|Atenblock|Atendol|Atenet|Ateni|Atenil|Atenol 1A pharma|Atenol acis|Atenol AL|Atenol Atid|Atenol Cophar|Atenol ct|Atenol Fecofar|Atenol Gador|Atenol Genericon|Atenol GNR|Atenol Heumann|Atenol MSD|Atenol NM Pharma|Atenol Nordic|Atenol PB|Atenol Quesada|Atenol Stada|Atenol Tika|Atenol Trom|Atenol von ct|Atenol-Mepha|Atenol-ratiopharm|Atenol-Wolff|Atenolin|Atenolol (JAN/USP)|Atenolol [USAN:BAN:INN:JAN]|Atenololum|At|106020-65-9|60966-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022628
ERPathway2016 ERPathway2016_981 Atenolol 29122-68-7 DTXSID2022628 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1 Atenolol 29122-68-7|Atenolol|(+/-)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide|(+/-)-Atenolol|(R,S)-Atenolol|(RS)-Atenolol|1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol|2-(4-(2-Hydroxy-3-isopropylaminopropoxy)phenyl)acetamid|2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide|4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide|4-[2'-Hydroxy-3'-(isopropylamino)propoxy]phenylacetamide|Acetamide, 2-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)-|Acetamide, 2-[p-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-|Aircrit|Alinor|Altol|Anselol|Antipressan|Apo-Atenolol|Atcardil|Atecard|AteHexal|Atenblock|Atendol|Atenet|Ateni|Atenil|Atenol 1A pharma|Atenol acis|Atenol AL|Atenol Atid|Atenol Cophar|Atenol ct|Atenol Fecofar|Atenol Gador|Atenol Genericon|Atenol GNR|Atenol Heumann|Atenol MSD|Atenol NM Pharma|Atenol Nordic|Atenol PB|Atenol Quesada|Atenol Stada|Atenol Tika|Atenol Trom|Atenol von ct|Atenol-Mepha|Atenol-ratiopharm|Atenol-Wolff|Atenolin|Atenolol (JAN/USP)|Atenolol [USAN:BAN:INN:JAN]|Atenololum|At|106020-65-9|60966-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022628
ERPathway2016 ERPathway2016_981 Atenolol 29122-68-7 DTXSID2022628 ER Pathway Model, Agonist Call Inactive Unitless CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1 Atenolol 29122-68-7|Atenolol|(+/-)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide|(+/-)-Atenolol|(R,S)-Atenolol|(RS)-Atenolol|1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol|2-(4-(2-Hydroxy-3-isopropylaminopropoxy)phenyl)acetamid|2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide|4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide|4-[2'-Hydroxy-3'-(isopropylamino)propoxy]phenylacetamide|Acetamide, 2-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)-|Acetamide, 2-[p-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-|Aircrit|Alinor|Altol|Anselol|Antipressan|Apo-Atenolol|Atcardil|Atecard|AteHexal|Atenblock|Atendol|Atenet|Ateni|Atenil|Atenol 1A pharma|Atenol acis|Atenol AL|Atenol Atid|Atenol Cophar|Atenol ct|Atenol Fecofar|Atenol Gador|Atenol Genericon|Atenol GNR|Atenol Heumann|Atenol MSD|Atenol NM Pharma|Atenol Nordic|Atenol PB|Atenol Quesada|Atenol Stada|Atenol Tika|Atenol Trom|Atenol von ct|Atenol-Mepha|Atenol-ratiopharm|Atenol-Wolff|Atenolin|Atenolol (JAN/USP)|Atenolol [USAN:BAN:INN:JAN]|Atenololum|At|106020-65-9|60966-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022628
ERPathway2016 ERPathway2016_981 Atenolol 29122-68-7 DTXSID2022628 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1 Atenolol 29122-68-7|Atenolol|(+/-)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide|(+/-)-Atenolol|(R,S)-Atenolol|(RS)-Atenolol|1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol|2-(4-(2-Hydroxy-3-isopropylaminopropoxy)phenyl)acetamid|2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide|4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide|4-[2'-Hydroxy-3'-(isopropylamino)propoxy]phenylacetamide|Acetamide, 2-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)-|Acetamide, 2-[p-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-|Aircrit|Alinor|Altol|Anselol|Antipressan|Apo-Atenolol|Atcardil|Atecard|AteHexal|Atenblock|Atendol|Atenet|Ateni|Atenil|Atenol 1A pharma|Atenol acis|Atenol AL|Atenol Atid|Atenol Cophar|Atenol ct|Atenol Fecofar|Atenol Gador|Atenol Genericon|Atenol GNR|Atenol Heumann|Atenol MSD|Atenol NM Pharma|Atenol Nordic|Atenol PB|Atenol Quesada|Atenol Stada|Atenol Tika|Atenol Trom|Atenol von ct|Atenol-Mepha|Atenol-ratiopharm|Atenol-Wolff|Atenolin|Atenolol (JAN/USP)|Atenolol [USAN:BAN:INN:JAN]|Atenololum|At|106020-65-9|60966-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022628
ARPathway2016 ARPathway2016_63 Atorvastatin calcium 134523-03-8 DTXSID6044303 2.0 A10 AR Pathway Model, Agonist AC50 9.96341457228664 uM [Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 Atorvastatin calcium 134523-03-8|Atorvastatin calcium|Atorvastatin calcium anhydrous|Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2)|Lipitor|Lorvast|PD 134298-38A|Ranbaxy's Storvas|Rotacor|Storvas|UNII-C0GEJ5QCSO|1108202-55-6|1370463-14-1|334757-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044303
ARPathway2016 ARPathway2016_63 Atorvastatin calcium 134523-03-8 DTXSID6044303 2.0 A10 AR Pathway Model, Agonist ACC 3.824440518 uM [Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 Atorvastatin calcium 134523-03-8|Atorvastatin calcium|Atorvastatin calcium anhydrous|Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2)|Lipitor|Lorvast|PD 134298-38A|Ranbaxy's Storvas|Rotacor|Storvas|UNII-C0GEJ5QCSO|1108202-55-6|1370463-14-1|334757-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044303
ARPathway2016 ARPathway2016_63 Atorvastatin calcium 134523-03-8 DTXSID6044303 2.0 A10 AR Pathway Model, Antagonist Model Score 0.0455 Unitless [Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 Atorvastatin calcium 134523-03-8|Atorvastatin calcium|Atorvastatin calcium anhydrous|Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2)|Lipitor|Lorvast|PD 134298-38A|Ranbaxy's Storvas|Rotacor|Storvas|UNII-C0GEJ5QCSO|1108202-55-6|1370463-14-1|334757-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044303
ARPathway2016 ARPathway2016_63 Atorvastatin calcium 134523-03-8 DTXSID6044303 2.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless [Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 Atorvastatin calcium 134523-03-8|Atorvastatin calcium|Atorvastatin calcium anhydrous|Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2)|Lipitor|Lorvast|PD 134298-38A|Ranbaxy's Storvas|Rotacor|Storvas|UNII-C0GEJ5QCSO|1108202-55-6|1370463-14-1|334757-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044303
ARPathway2016 ARPathway2016_63 Atorvastatin calcium 134523-03-8 DTXSID6044303 2.0 A10 AR Pathway Model, Agonist Call Active Unitless [Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 Atorvastatin calcium 134523-03-8|Atorvastatin calcium|Atorvastatin calcium anhydrous|Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2)|Lipitor|Lorvast|PD 134298-38A|Ranbaxy's Storvas|Rotacor|Storvas|UNII-C0GEJ5QCSO|1108202-55-6|1370463-14-1|334757-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044303
ARPathway2016 ARPathway2016_63 Atorvastatin calcium 134523-03-8 DTXSID6044303 2.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless [Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 Atorvastatin calcium 134523-03-8|Atorvastatin calcium|Atorvastatin calcium anhydrous|Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2)|Lipitor|Lorvast|PD 134298-38A|Ranbaxy's Storvas|Rotacor|Storvas|UNII-C0GEJ5QCSO|1108202-55-6|1370463-14-1|334757-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044303
ERPathway2016 ERPathway2016_780 Atorvastatin calcium 134523-03-8 DTXSID6044303 ER Pathway Model, Agonist Model Score 0 Unitless [Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 Atorvastatin calcium 134523-03-8|Atorvastatin calcium|Atorvastatin calcium anhydrous|Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2)|Lipitor|Lorvast|PD 134298-38A|Ranbaxy's Storvas|Rotacor|Storvas|UNII-C0GEJ5QCSO|1108202-55-6|1370463-14-1|334757-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044303
ERPathway2016 ERPathway2016_780 Atorvastatin calcium 134523-03-8 DTXSID6044303 ER Pathway Model, Antagonist Model Score 0 Unitless [Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 Atorvastatin calcium 134523-03-8|Atorvastatin calcium|Atorvastatin calcium anhydrous|Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2)|Lipitor|Lorvast|PD 134298-38A|Ranbaxy's Storvas|Rotacor|Storvas|UNII-C0GEJ5QCSO|1108202-55-6|1370463-14-1|334757-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044303
ERPathway2016 ERPathway2016_780 Atorvastatin calcium 134523-03-8 DTXSID6044303 ER Pathway Model, Agonist Call Inactive Unitless [Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 Atorvastatin calcium 134523-03-8|Atorvastatin calcium|Atorvastatin calcium anhydrous|Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2)|Lipitor|Lorvast|PD 134298-38A|Ranbaxy's Storvas|Rotacor|Storvas|UNII-C0GEJ5QCSO|1108202-55-6|1370463-14-1|334757-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044303
ERPathway2016 ERPathway2016_780 Atorvastatin calcium 134523-03-8 DTXSID6044303 ER Pathway Model, Antagonist Call Inactive Unitless [Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 Atorvastatin calcium 134523-03-8|Atorvastatin calcium|Atorvastatin calcium anhydrous|Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2)|Lipitor|Lorvast|PD 134298-38A|Ranbaxy's Storvas|Rotacor|Storvas|UNII-C0GEJ5QCSO|1108202-55-6|1370463-14-1|334757-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6044303
ARPathway2016 ARPathway2016_960 Atrazine 1912-24-9 DTXSID9020112 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCNC1=NC(NC(C)C)=NC(Cl)=N1 Atrazine 1912-24-9|Atrazine|[4-chloro-6-(ethylamino)-s-triazin-2-yl]-isopropyl-amine|1-Chloro-3-ethylamino-5-isopropylamino-2,4,6-triazine|1-Chloro-3-ethylamino-5-isopropylamino-s-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(1-methylethyl)-|2-Aethylamino-4-chlor-6-isopropylamino-1,3,5-triazin|2-Aethylamino-4-isopropylamino-6-chlor-1,3,5-triazin|2-Chloro-4-(2-propylamino)-6-ethylamino-s-triazine|2-Chloro-4-(ethylamino)-6-(2-propylamino)-s-triazine|2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine|2-Chloro-4-(ethylamino)-6-(isopropylamino)-s-triazine|2-Chloro-4-(ethylamino)-6-(isopropylamino)triazine|2-Chloro-4-ethylamineisopropylamine-s-triazine|2-Chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine|2-Chloro-4-ethylamino-6-isopropylamino-s-triazine|2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE|2-Ethylamino-4-isopropylamino-6-chloro-s-triazine|6-chloranyl-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine|6-Chloro-4-(ethylamino)-2-(isopropylamino|11121-31-6|12040-45-8|12797-72-7|39400-72-1|69771-31-9|93616-39-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020112 https://doi.org/10.22427/NTP-DATA-DTXSID9020112
ARPathway2016 ARPathway2016_960 Atrazine 1912-24-9 DTXSID9020112 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCNC1=NC(NC(C)C)=NC(Cl)=N1 Atrazine 1912-24-9|Atrazine|[4-chloro-6-(ethylamino)-s-triazin-2-yl]-isopropyl-amine|1-Chloro-3-ethylamino-5-isopropylamino-2,4,6-triazine|1-Chloro-3-ethylamino-5-isopropylamino-s-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(1-methylethyl)-|2-Aethylamino-4-chlor-6-isopropylamino-1,3,5-triazin|2-Aethylamino-4-isopropylamino-6-chlor-1,3,5-triazin|2-Chloro-4-(2-propylamino)-6-ethylamino-s-triazine|2-Chloro-4-(ethylamino)-6-(2-propylamino)-s-triazine|2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine|2-Chloro-4-(ethylamino)-6-(isopropylamino)-s-triazine|2-Chloro-4-(ethylamino)-6-(isopropylamino)triazine|2-Chloro-4-ethylamineisopropylamine-s-triazine|2-Chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine|2-Chloro-4-ethylamino-6-isopropylamino-s-triazine|2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE|2-Ethylamino-4-isopropylamino-6-chloro-s-triazine|6-chloranyl-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine|6-Chloro-4-(ethylamino)-2-(isopropylamino|11121-31-6|12040-45-8|12797-72-7|39400-72-1|69771-31-9|93616-39-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020112 https://doi.org/10.22427/NTP-DATA-DTXSID9020112
ARPathway2016 ARPathway2016_960 Atrazine 1912-24-9 DTXSID9020112 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCNC1=NC(NC(C)C)=NC(Cl)=N1 Atrazine 1912-24-9|Atrazine|[4-chloro-6-(ethylamino)-s-triazin-2-yl]-isopropyl-amine|1-Chloro-3-ethylamino-5-isopropylamino-2,4,6-triazine|1-Chloro-3-ethylamino-5-isopropylamino-s-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(1-methylethyl)-|2-Aethylamino-4-chlor-6-isopropylamino-1,3,5-triazin|2-Aethylamino-4-isopropylamino-6-chlor-1,3,5-triazin|2-Chloro-4-(2-propylamino)-6-ethylamino-s-triazine|2-Chloro-4-(ethylamino)-6-(2-propylamino)-s-triazine|2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine|2-Chloro-4-(ethylamino)-6-(isopropylamino)-s-triazine|2-Chloro-4-(ethylamino)-6-(isopropylamino)triazine|2-Chloro-4-ethylamineisopropylamine-s-triazine|2-Chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine|2-Chloro-4-ethylamino-6-isopropylamino-s-triazine|2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE|2-Ethylamino-4-isopropylamino-6-chloro-s-triazine|6-chloranyl-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine|6-Chloro-4-(ethylamino)-2-(isopropylamino|11121-31-6|12040-45-8|12797-72-7|39400-72-1|69771-31-9|93616-39-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020112 https://doi.org/10.22427/NTP-DATA-DTXSID9020112
ARPathway2016 ARPathway2016_960 Atrazine 1912-24-9 DTXSID9020112 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCNC1=NC(NC(C)C)=NC(Cl)=N1 Atrazine 1912-24-9|Atrazine|[4-chloro-6-(ethylamino)-s-triazin-2-yl]-isopropyl-amine|1-Chloro-3-ethylamino-5-isopropylamino-2,4,6-triazine|1-Chloro-3-ethylamino-5-isopropylamino-s-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(1-methylethyl)-|2-Aethylamino-4-chlor-6-isopropylamino-1,3,5-triazin|2-Aethylamino-4-isopropylamino-6-chlor-1,3,5-triazin|2-Chloro-4-(2-propylamino)-6-ethylamino-s-triazine|2-Chloro-4-(ethylamino)-6-(2-propylamino)-s-triazine|2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine|2-Chloro-4-(ethylamino)-6-(isopropylamino)-s-triazine|2-Chloro-4-(ethylamino)-6-(isopropylamino)triazine|2-Chloro-4-ethylamineisopropylamine-s-triazine|2-Chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine|2-Chloro-4-ethylamino-6-isopropylamino-s-triazine|2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE|2-Ethylamino-4-isopropylamino-6-chloro-s-triazine|6-chloranyl-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine|6-Chloro-4-(ethylamino)-2-(isopropylamino|11121-31-6|12040-45-8|12797-72-7|39400-72-1|69771-31-9|93616-39-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020112 https://doi.org/10.22427/NTP-DATA-DTXSID9020112
ERPathway2016 ERPathway2016_1360 Atrazine 1912-24-9 DTXSID9020112 ER Pathway Model, Agonist Model Score 0 Unitless CCNC1=NC(NC(C)C)=NC(Cl)=N1 Atrazine 1912-24-9|Atrazine|[4-chloro-6-(ethylamino)-s-triazin-2-yl]-isopropyl-amine|1-Chloro-3-ethylamino-5-isopropylamino-2,4,6-triazine|1-Chloro-3-ethylamino-5-isopropylamino-s-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(1-methylethyl)-|2-Aethylamino-4-chlor-6-isopropylamino-1,3,5-triazin|2-Aethylamino-4-isopropylamino-6-chlor-1,3,5-triazin|2-Chloro-4-(2-propylamino)-6-ethylamino-s-triazine|2-Chloro-4-(ethylamino)-6-(2-propylamino)-s-triazine|2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine|2-Chloro-4-(ethylamino)-6-(isopropylamino)-s-triazine|2-Chloro-4-(ethylamino)-6-(isopropylamino)triazine|2-Chloro-4-ethylamineisopropylamine-s-triazine|2-Chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine|2-Chloro-4-ethylamino-6-isopropylamino-s-triazine|2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE|2-Ethylamino-4-isopropylamino-6-chloro-s-triazine|6-chloranyl-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine|6-Chloro-4-(ethylamino)-2-(isopropylamino|11121-31-6|12040-45-8|12797-72-7|39400-72-1|69771-31-9|93616-39-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020112 https://doi.org/10.22427/NTP-DATA-DTXSID9020112
ERPathway2016 ERPathway2016_1360 Atrazine 1912-24-9 DTXSID9020112 ER Pathway Model, Antagonist Model Score 0 Unitless CCNC1=NC(NC(C)C)=NC(Cl)=N1 Atrazine 1912-24-9|Atrazine|[4-chloro-6-(ethylamino)-s-triazin-2-yl]-isopropyl-amine|1-Chloro-3-ethylamino-5-isopropylamino-2,4,6-triazine|1-Chloro-3-ethylamino-5-isopropylamino-s-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(1-methylethyl)-|2-Aethylamino-4-chlor-6-isopropylamino-1,3,5-triazin|2-Aethylamino-4-isopropylamino-6-chlor-1,3,5-triazin|2-Chloro-4-(2-propylamino)-6-ethylamino-s-triazine|2-Chloro-4-(ethylamino)-6-(2-propylamino)-s-triazine|2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine|2-Chloro-4-(ethylamino)-6-(isopropylamino)-s-triazine|2-Chloro-4-(ethylamino)-6-(isopropylamino)triazine|2-Chloro-4-ethylamineisopropylamine-s-triazine|2-Chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine|2-Chloro-4-ethylamino-6-isopropylamino-s-triazine|2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE|2-Ethylamino-4-isopropylamino-6-chloro-s-triazine|6-chloranyl-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine|6-Chloro-4-(ethylamino)-2-(isopropylamino|11121-31-6|12040-45-8|12797-72-7|39400-72-1|69771-31-9|93616-39-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020112 https://doi.org/10.22427/NTP-DATA-DTXSID9020112
ERPathway2016 ERPathway2016_1360 Atrazine 1912-24-9 DTXSID9020112 ER Pathway Model, Agonist Call Inactive Unitless CCNC1=NC(NC(C)C)=NC(Cl)=N1 Atrazine 1912-24-9|Atrazine|[4-chloro-6-(ethylamino)-s-triazin-2-yl]-isopropyl-amine|1-Chloro-3-ethylamino-5-isopropylamino-2,4,6-triazine|1-Chloro-3-ethylamino-5-isopropylamino-s-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(1-methylethyl)-|2-Aethylamino-4-chlor-6-isopropylamino-1,3,5-triazin|2-Aethylamino-4-isopropylamino-6-chlor-1,3,5-triazin|2-Chloro-4-(2-propylamino)-6-ethylamino-s-triazine|2-Chloro-4-(ethylamino)-6-(2-propylamino)-s-triazine|2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine|2-Chloro-4-(ethylamino)-6-(isopropylamino)-s-triazine|2-Chloro-4-(ethylamino)-6-(isopropylamino)triazine|2-Chloro-4-ethylamineisopropylamine-s-triazine|2-Chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine|2-Chloro-4-ethylamino-6-isopropylamino-s-triazine|2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE|2-Ethylamino-4-isopropylamino-6-chloro-s-triazine|6-chloranyl-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine|6-Chloro-4-(ethylamino)-2-(isopropylamino|11121-31-6|12040-45-8|12797-72-7|39400-72-1|69771-31-9|93616-39-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020112 https://doi.org/10.22427/NTP-DATA-DTXSID9020112
ERPathway2016 ERPathway2016_1360 Atrazine 1912-24-9 DTXSID9020112 ER Pathway Model, Antagonist Call Inactive Unitless CCNC1=NC(NC(C)C)=NC(Cl)=N1 Atrazine 1912-24-9|Atrazine|[4-chloro-6-(ethylamino)-s-triazin-2-yl]-isopropyl-amine|1-Chloro-3-ethylamino-5-isopropylamino-2,4,6-triazine|1-Chloro-3-ethylamino-5-isopropylamino-s-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-(1-methylethyl)-|2-Aethylamino-4-chlor-6-isopropylamino-1,3,5-triazin|2-Aethylamino-4-isopropylamino-6-chlor-1,3,5-triazin|2-Chloro-4-(2-propylamino)-6-ethylamino-s-triazine|2-Chloro-4-(ethylamino)-6-(2-propylamino)-s-triazine|2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine|2-Chloro-4-(ethylamino)-6-(isopropylamino)-s-triazine|2-Chloro-4-(ethylamino)-6-(isopropylamino)triazine|2-Chloro-4-ethylamineisopropylamine-s-triazine|2-Chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine|2-Chloro-4-ethylamino-6-isopropylamino-s-triazine|2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE|2-Ethylamino-4-isopropylamino-6-chloro-s-triazine|6-chloranyl-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine|6-Chloro-4-(ethylamino)-2-(isopropylamino|11121-31-6|12040-45-8|12797-72-7|39400-72-1|69771-31-9|93616-39-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020112 https://doi.org/10.22427/NTP-DATA-DTXSID9020112
ARPathway2016 ARPathway2016_127 Auramine hydrochloride 2465-27-2 DTXSID9020114 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 7.762592869 uM Cl.CN(C)C1=CC=C(C=C1)C(=N)C1=CC=C(C=C1)N(C)C Auramine hydrochloride 2465-27-2|Auramine hydrochloride|(Tetramethyldiamino)diphenylketoimine hydrochloride|1,1-Bis(p-dimethylaminophenyl)methylenimine hydrochloride|4,4'-(Imidocarbonyl)bis(N,N-dimethylamine), monohydrochloride|4,4'-Bis(dimethylamino)-benzhydrylidenimine hydrochloride|4,4'-Carbonimidoylbis(N,N-dimethylanilin)monohydrochlorid|4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride|4,4'-Carbonimidoylbis[N,N-dimethylbenzenamine] monohydrochloride|4:4'-Bis(dimethylamino)benzophenone-imine hydrochloride|ADC Auramine O|Aizen Auramine|Aizen Auramine Conc. SFA|Aizen Auramine OH|Aizen Auramine OW 100|Aniline, 4,4'-imidocarbonylbis(N,N-dimethyl-, monohydrochloride|Arazine Yellow|Auramin|AURAMIN, TECHNISCH|Auramine 0-100|Auramine A1|Auramine chloride|AURAMINE D|Auramine Extra|Auramine Extra Conc. A|Auramine FA|Auramine FWA|Auramine II|Auramine Lake Yellow O|Auramine N|Auramine O|Auramine O Extra Conc. A Export|Auramine ON|Auramine OO|Auramine OOO|Auramine OS|Auramine Pure|Auramine SP|Auramine Yellow|Auramine-O|Auramine, monohydrochloride|Basic Flavine Y|12237-78-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020114
ARPathway2016 ARPathway2016_127 Auramine hydrochloride 2465-27-2 DTXSID9020114 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 7.187112622 uM Cl.CN(C)C1=CC=C(C=C1)C(=N)C1=CC=C(C=C1)N(C)C Auramine hydrochloride 2465-27-2|Auramine hydrochloride|(Tetramethyldiamino)diphenylketoimine hydrochloride|1,1-Bis(p-dimethylaminophenyl)methylenimine hydrochloride|4,4'-(Imidocarbonyl)bis(N,N-dimethylamine), monohydrochloride|4,4'-Bis(dimethylamino)-benzhydrylidenimine hydrochloride|4,4'-Carbonimidoylbis(N,N-dimethylanilin)monohydrochlorid|4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride|4,4'-Carbonimidoylbis[N,N-dimethylbenzenamine] monohydrochloride|4:4'-Bis(dimethylamino)benzophenone-imine hydrochloride|ADC Auramine O|Aizen Auramine|Aizen Auramine Conc. SFA|Aizen Auramine OH|Aizen Auramine OW 100|Aniline, 4,4'-imidocarbonylbis(N,N-dimethyl-, monohydrochloride|Arazine Yellow|Auramin|AURAMIN, TECHNISCH|Auramine 0-100|Auramine A1|Auramine chloride|AURAMINE D|Auramine Extra|Auramine Extra Conc. A|Auramine FA|Auramine FWA|Auramine II|Auramine Lake Yellow O|Auramine N|Auramine O|Auramine O Extra Conc. A Export|Auramine ON|Auramine OO|Auramine OOO|Auramine OS|Auramine Pure|Auramine SP|Auramine Yellow|Auramine-O|Auramine, monohydrochloride|Basic Flavine Y|12237-78-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020114
ARPathway2016 ARPathway2016_127 Auramine hydrochloride 2465-27-2 DTXSID9020114 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0904 Unitless Cl.CN(C)C1=CC=C(C=C1)C(=N)C1=CC=C(C=C1)N(C)C Auramine hydrochloride 2465-27-2|Auramine hydrochloride|(Tetramethyldiamino)diphenylketoimine hydrochloride|1,1-Bis(p-dimethylaminophenyl)methylenimine hydrochloride|4,4'-(Imidocarbonyl)bis(N,N-dimethylamine), monohydrochloride|4,4'-Bis(dimethylamino)-benzhydrylidenimine hydrochloride|4,4'-Carbonimidoylbis(N,N-dimethylanilin)monohydrochlorid|4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride|4,4'-Carbonimidoylbis[N,N-dimethylbenzenamine] monohydrochloride|4:4'-Bis(dimethylamino)benzophenone-imine hydrochloride|ADC Auramine O|Aizen Auramine|Aizen Auramine Conc. SFA|Aizen Auramine OH|Aizen Auramine OW 100|Aniline, 4,4'-imidocarbonylbis(N,N-dimethyl-, monohydrochloride|Arazine Yellow|Auramin|AURAMIN, TECHNISCH|Auramine 0-100|Auramine A1|Auramine chloride|AURAMINE D|Auramine Extra|Auramine Extra Conc. A|Auramine FA|Auramine FWA|Auramine II|Auramine Lake Yellow O|Auramine N|Auramine O|Auramine O Extra Conc. A Export|Auramine ON|Auramine OO|Auramine OOO|Auramine OS|Auramine Pure|Auramine SP|Auramine Yellow|Auramine-O|Auramine, monohydrochloride|Basic Flavine Y|12237-78-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020114
ARPathway2016 ARPathway2016_127 Auramine hydrochloride 2465-27-2 DTXSID9020114 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless Cl.CN(C)C1=CC=C(C=C1)C(=N)C1=CC=C(C=C1)N(C)C Auramine hydrochloride 2465-27-2|Auramine hydrochloride|(Tetramethyldiamino)diphenylketoimine hydrochloride|1,1-Bis(p-dimethylaminophenyl)methylenimine hydrochloride|4,4'-(Imidocarbonyl)bis(N,N-dimethylamine), monohydrochloride|4,4'-Bis(dimethylamino)-benzhydrylidenimine hydrochloride|4,4'-Carbonimidoylbis(N,N-dimethylanilin)monohydrochlorid|4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride|4,4'-Carbonimidoylbis[N,N-dimethylbenzenamine] monohydrochloride|4:4'-Bis(dimethylamino)benzophenone-imine hydrochloride|ADC Auramine O|Aizen Auramine|Aizen Auramine Conc. SFA|Aizen Auramine OH|Aizen Auramine OW 100|Aniline, 4,4'-imidocarbonylbis(N,N-dimethyl-, monohydrochloride|Arazine Yellow|Auramin|AURAMIN, TECHNISCH|Auramine 0-100|Auramine A1|Auramine chloride|AURAMINE D|Auramine Extra|Auramine Extra Conc. A|Auramine FA|Auramine FWA|Auramine II|Auramine Lake Yellow O|Auramine N|Auramine O|Auramine O Extra Conc. A Export|Auramine ON|Auramine OO|Auramine OOO|Auramine OS|Auramine Pure|Auramine SP|Auramine Yellow|Auramine-O|Auramine, monohydrochloride|Basic Flavine Y|12237-78-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020114
ARPathway2016 ARPathway2016_127 Auramine hydrochloride 2465-27-2 DTXSID9020114 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Cl.CN(C)C1=CC=C(C=C1)C(=N)C1=CC=C(C=C1)N(C)C Auramine hydrochloride 2465-27-2|Auramine hydrochloride|(Tetramethyldiamino)diphenylketoimine hydrochloride|1,1-Bis(p-dimethylaminophenyl)methylenimine hydrochloride|4,4'-(Imidocarbonyl)bis(N,N-dimethylamine), monohydrochloride|4,4'-Bis(dimethylamino)-benzhydrylidenimine hydrochloride|4,4'-Carbonimidoylbis(N,N-dimethylanilin)monohydrochlorid|4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride|4,4'-Carbonimidoylbis[N,N-dimethylbenzenamine] monohydrochloride|4:4'-Bis(dimethylamino)benzophenone-imine hydrochloride|ADC Auramine O|Aizen Auramine|Aizen Auramine Conc. SFA|Aizen Auramine OH|Aizen Auramine OW 100|Aniline, 4,4'-imidocarbonylbis(N,N-dimethyl-, monohydrochloride|Arazine Yellow|Auramin|AURAMIN, TECHNISCH|Auramine 0-100|Auramine A1|Auramine chloride|AURAMINE D|Auramine Extra|Auramine Extra Conc. A|Auramine FA|Auramine FWA|Auramine II|Auramine Lake Yellow O|Auramine N|Auramine O|Auramine O Extra Conc. A Export|Auramine ON|Auramine OO|Auramine OOO|Auramine OS|Auramine Pure|Auramine SP|Auramine Yellow|Auramine-O|Auramine, monohydrochloride|Basic Flavine Y|12237-78-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020114
ARPathway2016 ARPathway2016_127 Auramine hydrochloride 2465-27-2 DTXSID9020114 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Cl.CN(C)C1=CC=C(C=C1)C(=N)C1=CC=C(C=C1)N(C)C Auramine hydrochloride 2465-27-2|Auramine hydrochloride|(Tetramethyldiamino)diphenylketoimine hydrochloride|1,1-Bis(p-dimethylaminophenyl)methylenimine hydrochloride|4,4'-(Imidocarbonyl)bis(N,N-dimethylamine), monohydrochloride|4,4'-Bis(dimethylamino)-benzhydrylidenimine hydrochloride|4,4'-Carbonimidoylbis(N,N-dimethylanilin)monohydrochlorid|4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride|4,4'-Carbonimidoylbis[N,N-dimethylbenzenamine] monohydrochloride|4:4'-Bis(dimethylamino)benzophenone-imine hydrochloride|ADC Auramine O|Aizen Auramine|Aizen Auramine Conc. SFA|Aizen Auramine OH|Aizen Auramine OW 100|Aniline, 4,4'-imidocarbonylbis(N,N-dimethyl-, monohydrochloride|Arazine Yellow|Auramin|AURAMIN, TECHNISCH|Auramine 0-100|Auramine A1|Auramine chloride|AURAMINE D|Auramine Extra|Auramine Extra Conc. A|Auramine FA|Auramine FWA|Auramine II|Auramine Lake Yellow O|Auramine N|Auramine O|Auramine O Extra Conc. A Export|Auramine ON|Auramine OO|Auramine OOO|Auramine OS|Auramine Pure|Auramine SP|Auramine Yellow|Auramine-O|Auramine, monohydrochloride|Basic Flavine Y|12237-78-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020114
ERPathway2016 ERPathway2016_554 Auramine hydrochloride 2465-27-2 DTXSID9020114 R9 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CN(C)C1=CC=C(C=C1)C(=N)C1=CC=C(C=C1)N(C)C Auramine hydrochloride 2465-27-2|Auramine hydrochloride|(Tetramethyldiamino)diphenylketoimine hydrochloride|1,1-Bis(p-dimethylaminophenyl)methylenimine hydrochloride|4,4'-(Imidocarbonyl)bis(N,N-dimethylamine), monohydrochloride|4,4'-Bis(dimethylamino)-benzhydrylidenimine hydrochloride|4,4'-Carbonimidoylbis(N,N-dimethylanilin)monohydrochlorid|4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride|4,4'-Carbonimidoylbis[N,N-dimethylbenzenamine] monohydrochloride|4:4'-Bis(dimethylamino)benzophenone-imine hydrochloride|ADC Auramine O|Aizen Auramine|Aizen Auramine Conc. SFA|Aizen Auramine OH|Aizen Auramine OW 100|Aniline, 4,4'-imidocarbonylbis(N,N-dimethyl-, monohydrochloride|Arazine Yellow|Auramin|AURAMIN, TECHNISCH|Auramine 0-100|Auramine A1|Auramine chloride|AURAMINE D|Auramine Extra|Auramine Extra Conc. A|Auramine FA|Auramine FWA|Auramine II|Auramine Lake Yellow O|Auramine N|Auramine O|Auramine O Extra Conc. A Export|Auramine ON|Auramine OO|Auramine OOO|Auramine OS|Auramine Pure|Auramine SP|Auramine Yellow|Auramine-O|Auramine, monohydrochloride|Basic Flavine Y|12237-78-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020114
ERPathway2016 ERPathway2016_554 Auramine hydrochloride 2465-27-2 DTXSID9020114 R9 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CN(C)C1=CC=C(C=C1)C(=N)C1=CC=C(C=C1)N(C)C Auramine hydrochloride 2465-27-2|Auramine hydrochloride|(Tetramethyldiamino)diphenylketoimine hydrochloride|1,1-Bis(p-dimethylaminophenyl)methylenimine hydrochloride|4,4'-(Imidocarbonyl)bis(N,N-dimethylamine), monohydrochloride|4,4'-Bis(dimethylamino)-benzhydrylidenimine hydrochloride|4,4'-Carbonimidoylbis(N,N-dimethylanilin)monohydrochlorid|4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride|4,4'-Carbonimidoylbis[N,N-dimethylbenzenamine] monohydrochloride|4:4'-Bis(dimethylamino)benzophenone-imine hydrochloride|ADC Auramine O|Aizen Auramine|Aizen Auramine Conc. SFA|Aizen Auramine OH|Aizen Auramine OW 100|Aniline, 4,4'-imidocarbonylbis(N,N-dimethyl-, monohydrochloride|Arazine Yellow|Auramin|AURAMIN, TECHNISCH|Auramine 0-100|Auramine A1|Auramine chloride|AURAMINE D|Auramine Extra|Auramine Extra Conc. A|Auramine FA|Auramine FWA|Auramine II|Auramine Lake Yellow O|Auramine N|Auramine O|Auramine O Extra Conc. A Export|Auramine ON|Auramine OO|Auramine OOO|Auramine OS|Auramine Pure|Auramine SP|Auramine Yellow|Auramine-O|Auramine, monohydrochloride|Basic Flavine Y|12237-78-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020114
ERPathway2016 ERPathway2016_554 Auramine hydrochloride 2465-27-2 DTXSID9020114 R9 ER Pathway Model, Agonist Call Inactive Unitless Cl.CN(C)C1=CC=C(C=C1)C(=N)C1=CC=C(C=C1)N(C)C Auramine hydrochloride 2465-27-2|Auramine hydrochloride|(Tetramethyldiamino)diphenylketoimine hydrochloride|1,1-Bis(p-dimethylaminophenyl)methylenimine hydrochloride|4,4'-(Imidocarbonyl)bis(N,N-dimethylamine), monohydrochloride|4,4'-Bis(dimethylamino)-benzhydrylidenimine hydrochloride|4,4'-Carbonimidoylbis(N,N-dimethylanilin)monohydrochlorid|4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride|4,4'-Carbonimidoylbis[N,N-dimethylbenzenamine] monohydrochloride|4:4'-Bis(dimethylamino)benzophenone-imine hydrochloride|ADC Auramine O|Aizen Auramine|Aizen Auramine Conc. SFA|Aizen Auramine OH|Aizen Auramine OW 100|Aniline, 4,4'-imidocarbonylbis(N,N-dimethyl-, monohydrochloride|Arazine Yellow|Auramin|AURAMIN, TECHNISCH|Auramine 0-100|Auramine A1|Auramine chloride|AURAMINE D|Auramine Extra|Auramine Extra Conc. A|Auramine FA|Auramine FWA|Auramine II|Auramine Lake Yellow O|Auramine N|Auramine O|Auramine O Extra Conc. A Export|Auramine ON|Auramine OO|Auramine OOO|Auramine OS|Auramine Pure|Auramine SP|Auramine Yellow|Auramine-O|Auramine, monohydrochloride|Basic Flavine Y|12237-78-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020114
ERPathway2016 ERPathway2016_554 Auramine hydrochloride 2465-27-2 DTXSID9020114 R9 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CN(C)C1=CC=C(C=C1)C(=N)C1=CC=C(C=C1)N(C)C Auramine hydrochloride 2465-27-2|Auramine hydrochloride|(Tetramethyldiamino)diphenylketoimine hydrochloride|1,1-Bis(p-dimethylaminophenyl)methylenimine hydrochloride|4,4'-(Imidocarbonyl)bis(N,N-dimethylamine), monohydrochloride|4,4'-Bis(dimethylamino)-benzhydrylidenimine hydrochloride|4,4'-Carbonimidoylbis(N,N-dimethylanilin)monohydrochlorid|4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride|4,4'-Carbonimidoylbis[N,N-dimethylbenzenamine] monohydrochloride|4:4'-Bis(dimethylamino)benzophenone-imine hydrochloride|ADC Auramine O|Aizen Auramine|Aizen Auramine Conc. SFA|Aizen Auramine OH|Aizen Auramine OW 100|Aniline, 4,4'-imidocarbonylbis(N,N-dimethyl-, monohydrochloride|Arazine Yellow|Auramin|AURAMIN, TECHNISCH|Auramine 0-100|Auramine A1|Auramine chloride|AURAMINE D|Auramine Extra|Auramine Extra Conc. A|Auramine FA|Auramine FWA|Auramine II|Auramine Lake Yellow O|Auramine N|Auramine O|Auramine O Extra Conc. A Export|Auramine ON|Auramine OO|Auramine OOO|Auramine OS|Auramine Pure|Auramine SP|Auramine Yellow|Auramine-O|Auramine, monohydrochloride|Basic Flavine Y|12237-78-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020114
ARPathway2016 ARPathway2016_1447 AVE2865 648917-13-9 DTXSID5047376 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1CCN(CC1)C1=C(NC(=O)NC(=O)C2=CC(F)=C(F)C=C2Cl)C=C(F)C=C1 AVE2865 648917-13-9|AVE2865|A002928656 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047376
ARPathway2016 ARPathway2016_1447 AVE2865 648917-13-9 DTXSID5047376 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1CCN(CC1)C1=C(NC(=O)NC(=O)C2=CC(F)=C(F)C=C2Cl)C=C(F)C=C1 AVE2865 648917-13-9|AVE2865|A002928656 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047376
ARPathway2016 ARPathway2016_1447 AVE2865 648917-13-9 DTXSID5047376 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1CCN(CC1)C1=C(NC(=O)NC(=O)C2=CC(F)=C(F)C=C2Cl)C=C(F)C=C1 AVE2865 648917-13-9|AVE2865|A002928656 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047376
ARPathway2016 ARPathway2016_1447 AVE2865 648917-13-9 DTXSID5047376 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1CCN(CC1)C1=C(NC(=O)NC(=O)C2=CC(F)=C(F)C=C2Cl)C=C(F)C=C1 AVE2865 648917-13-9|AVE2865|A002928656 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047376
ERPathway2016 ERPathway2016_1598 AVE2865 648917-13-9 DTXSID5047376 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1CCN(CC1)C1=C(NC(=O)NC(=O)C2=CC(F)=C(F)C=C2Cl)C=C(F)C=C1 AVE2865 648917-13-9|AVE2865|A002928656 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047376
ERPathway2016 ERPathway2016_1598 AVE2865 648917-13-9 DTXSID5047376 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1CCN(CC1)C1=C(NC(=O)NC(=O)C2=CC(F)=C(F)C=C2Cl)C=C(F)C=C1 AVE2865 648917-13-9|AVE2865|A002928656 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047376
ERPathway2016 ERPathway2016_1598 AVE2865 648917-13-9 DTXSID5047376 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1CCN(CC1)C1=C(NC(=O)NC(=O)C2=CC(F)=C(F)C=C2Cl)C=C(F)C=C1 AVE2865 648917-13-9|AVE2865|A002928656 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047376
ERPathway2016 ERPathway2016_1598 AVE2865 648917-13-9 DTXSID5047376 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1CCN(CC1)C1=C(NC(=O)NC(=O)C2=CC(F)=C(F)C=C2Cl)C=C(F)C=C1 AVE2865 648917-13-9|AVE2865|A002928656 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047376
ARPathway2016 ARPathway2016_1845 AVE3247 1437319-46-4 DTXSID4047383 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=NC2=C1)C(=O)NC1CCN(CC1)C1CC1 AVE3247 1437319-46-4|AVE3247|1H- Benzimidazole- 5- carboxylic acid, 1- [[5- (5- chloro- 2- thienyl) - 3- isoxazolyl] methyl] - 2- [[(1- cyclopropyl- 4- piperidinyl) amino] carbonyl] - , sodium salt (1:1)|A003313247A|Sodium 1-((5-(5-chloro-2-thienyl)-1,2-oxazol-3-yl)methyl)-2-((1-cyclopropyl-4-piperidinyl)carbamoyl)-1H-benzimidazole-5-carboxylate https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047383
ARPathway2016 ARPathway2016_1845 AVE3247 1437319-46-4 DTXSID4047383 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=NC2=C1)C(=O)NC1CCN(CC1)C1CC1 AVE3247 1437319-46-4|AVE3247|1H- Benzimidazole- 5- carboxylic acid, 1- [[5- (5- chloro- 2- thienyl) - 3- isoxazolyl] methyl] - 2- [[(1- cyclopropyl- 4- piperidinyl) amino] carbonyl] - , sodium salt (1:1)|A003313247A|Sodium 1-((5-(5-chloro-2-thienyl)-1,2-oxazol-3-yl)methyl)-2-((1-cyclopropyl-4-piperidinyl)carbamoyl)-1H-benzimidazole-5-carboxylate https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047383
ARPathway2016 ARPathway2016_1845 AVE3247 1437319-46-4 DTXSID4047383 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=NC2=C1)C(=O)NC1CCN(CC1)C1CC1 AVE3247 1437319-46-4|AVE3247|1H- Benzimidazole- 5- carboxylic acid, 1- [[5- (5- chloro- 2- thienyl) - 3- isoxazolyl] methyl] - 2- [[(1- cyclopropyl- 4- piperidinyl) amino] carbonyl] - , sodium salt (1:1)|A003313247A|Sodium 1-((5-(5-chloro-2-thienyl)-1,2-oxazol-3-yl)methyl)-2-((1-cyclopropyl-4-piperidinyl)carbamoyl)-1H-benzimidazole-5-carboxylate https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047383
ARPathway2016 ARPathway2016_1845 AVE3247 1437319-46-4 DTXSID4047383 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=NC2=C1)C(=O)NC1CCN(CC1)C1CC1 AVE3247 1437319-46-4|AVE3247|1H- Benzimidazole- 5- carboxylic acid, 1- [[5- (5- chloro- 2- thienyl) - 3- isoxazolyl] methyl] - 2- [[(1- cyclopropyl- 4- piperidinyl) amino] carbonyl] - , sodium salt (1:1)|A003313247A|Sodium 1-((5-(5-chloro-2-thienyl)-1,2-oxazol-3-yl)methyl)-2-((1-cyclopropyl-4-piperidinyl)carbamoyl)-1H-benzimidazole-5-carboxylate https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047383
ERPathway2016 ERPathway2016_736 AVE3247 1437319-46-4 DTXSID4047383 A13 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=NC2=C1)C(=O)NC1CCN(CC1)C1CC1 AVE3247 1437319-46-4|AVE3247|1H- Benzimidazole- 5- carboxylic acid, 1- [[5- (5- chloro- 2- thienyl) - 3- isoxazolyl] methyl] - 2- [[(1- cyclopropyl- 4- piperidinyl) amino] carbonyl] - , sodium salt (1:1)|A003313247A|Sodium 1-((5-(5-chloro-2-thienyl)-1,2-oxazol-3-yl)methyl)-2-((1-cyclopropyl-4-piperidinyl)carbamoyl)-1H-benzimidazole-5-carboxylate https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047383
ERPathway2016 ERPathway2016_736 AVE3247 1437319-46-4 DTXSID4047383 A13 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=NC2=C1)C(=O)NC1CCN(CC1)C1CC1 AVE3247 1437319-46-4|AVE3247|1H- Benzimidazole- 5- carboxylic acid, 1- [[5- (5- chloro- 2- thienyl) - 3- isoxazolyl] methyl] - 2- [[(1- cyclopropyl- 4- piperidinyl) amino] carbonyl] - , sodium salt (1:1)|A003313247A|Sodium 1-((5-(5-chloro-2-thienyl)-1,2-oxazol-3-yl)methyl)-2-((1-cyclopropyl-4-piperidinyl)carbamoyl)-1H-benzimidazole-5-carboxylate https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047383
ERPathway2016 ERPathway2016_736 AVE3247 1437319-46-4 DTXSID4047383 A13 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=NC2=C1)C(=O)NC1CCN(CC1)C1CC1 AVE3247 1437319-46-4|AVE3247|1H- Benzimidazole- 5- carboxylic acid, 1- [[5- (5- chloro- 2- thienyl) - 3- isoxazolyl] methyl] - 2- [[(1- cyclopropyl- 4- piperidinyl) amino] carbonyl] - , sodium salt (1:1)|A003313247A|Sodium 1-((5-(5-chloro-2-thienyl)-1,2-oxazol-3-yl)methyl)-2-((1-cyclopropyl-4-piperidinyl)carbamoyl)-1H-benzimidazole-5-carboxylate https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047383
ERPathway2016 ERPathway2016_736 AVE3247 1437319-46-4 DTXSID4047383 A13 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=NC2=C1)C(=O)NC1CCN(CC1)C1CC1 AVE3247 1437319-46-4|AVE3247|1H- Benzimidazole- 5- carboxylic acid, 1- [[5- (5- chloro- 2- thienyl) - 3- isoxazolyl] methyl] - 2- [[(1- cyclopropyl- 4- piperidinyl) amino] carbonyl] - , sodium salt (1:1)|A003313247A|Sodium 1-((5-(5-chloro-2-thienyl)-1,2-oxazol-3-yl)methyl)-2-((1-cyclopropyl-4-piperidinyl)carbamoyl)-1H-benzimidazole-5-carboxylate https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047383
ARPathway2016 ARPathway2016_1228 AVE3295 478263-98-8 DTXSID5047372 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC[C@H](NC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C23)C=CC(F)=C1)C1=CC=CC=C1 AVE3295 478263-98-8|AVE3295|A002032959B https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047372
ARPathway2016 ARPathway2016_1228 AVE3295 478263-98-8 DTXSID5047372 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CC[C@H](NC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C23)C=CC(F)=C1)C1=CC=CC=C1 AVE3295 478263-98-8|AVE3295|A002032959B https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047372
ARPathway2016 ARPathway2016_1228 AVE3295 478263-98-8 DTXSID5047372 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CC[C@H](NC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C23)C=CC(F)=C1)C1=CC=CC=C1 AVE3295 478263-98-8|AVE3295|A002032959B https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047372
ARPathway2016 ARPathway2016_1228 AVE3295 478263-98-8 DTXSID5047372 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CC[C@H](NC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C23)C=CC(F)=C1)C1=CC=CC=C1 AVE3295 478263-98-8|AVE3295|A002032959B https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047372
ERPathway2016 ERPathway2016_684 AVE3295 478263-98-8 DTXSID5047372 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CC[C@H](NC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C23)C=CC(F)=C1)C1=CC=CC=C1 AVE3295 478263-98-8|AVE3295|A002032959B https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047372
ERPathway2016 ERPathway2016_684 AVE3295 478263-98-8 DTXSID5047372 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC[C@H](NC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C23)C=CC(F)=C1)C1=CC=CC=C1 AVE3295 478263-98-8|AVE3295|A002032959B https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047372
ERPathway2016 ERPathway2016_684 AVE3295 478263-98-8 DTXSID5047372 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CC[C@H](NC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C23)C=CC(F)=C1)C1=CC=CC=C1 AVE3295 478263-98-8|AVE3295|A002032959B https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047372
ERPathway2016 ERPathway2016_684 AVE3295 478263-98-8 DTXSID5047372 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CC[C@H](NC(=O)C1=C([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C23)C=CC(F)=C1)C1=CC=CC=C1 AVE3295 478263-98-8|AVE3295|A002032959B https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047372
ARPathway2016 ARPathway2016_382 AVE5638 725228-45-5 DTXSID0047371 FLAG: Wrong direction (Hit/No hit) 0.0 Agonist AR Pathway Model, Antagonist AC50 17.4770479254289 uM NCC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC=C(O1)C#CC1=CC=CC=C1F AVE5638 725228-45-5|AVE5638|A002195638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047371
ARPathway2016 ARPathway2016_382 AVE5638 725228-45-5 DTXSID0047371 FLAG: Wrong direction (Hit/No hit) 0.0 Agonist AR Pathway Model, Antagonist ACC 18.64831643 uM NCC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC=C(O1)C#CC1=CC=CC=C1F AVE5638 725228-45-5|AVE5638|A002195638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047371
ARPathway2016 ARPathway2016_382 AVE5638 725228-45-5 DTXSID0047371 FLAG: Wrong direction (Hit/No hit) 0.0 Agonist AR Pathway Model, Antagonist Model Score 0.00573 Unitless NCC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC=C(O1)C#CC1=CC=CC=C1F AVE5638 725228-45-5|AVE5638|A002195638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047371
ARPathway2016 ARPathway2016_382 AVE5638 725228-45-5 DTXSID0047371 FLAG: Wrong direction (Hit/No hit) 0.0 Agonist AR Pathway Model, Agonist Model Score 0.113 Unitless NCC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC=C(O1)C#CC1=CC=CC=C1F AVE5638 725228-45-5|AVE5638|A002195638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047371
ARPathway2016 ARPathway2016_382 AVE5638 725228-45-5 DTXSID0047371 FLAG: Wrong direction (Hit/No hit) 0.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless NCC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC=C(O1)C#CC1=CC=CC=C1F AVE5638 725228-45-5|AVE5638|A002195638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047371
ARPathway2016 ARPathway2016_382 AVE5638 725228-45-5 DTXSID0047371 FLAG: Wrong direction (Hit/No hit) 0.0 Agonist AR Pathway Model, Antagonist Call Active Unitless NCC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC=C(O1)C#CC1=CC=CC=C1F AVE5638 725228-45-5|AVE5638|A002195638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047371
ERPathway2016 ERPathway2016_441 AVE5638 725228-45-5 DTXSID0047371 ER Pathway Model, Antagonist AC50 4.9214945599784 uM NCC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC=C(O1)C#CC1=CC=CC=C1F AVE5638 725228-45-5|AVE5638|A002195638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047371
ERPathway2016 ERPathway2016_441 AVE5638 725228-45-5 DTXSID0047371 ER Pathway Model, Antagonist ACC 5.57708697896061 uM NCC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC=C(O1)C#CC1=CC=CC=C1F AVE5638 725228-45-5|AVE5638|A002195638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047371
ERPathway2016 ERPathway2016_441 AVE5638 725228-45-5 DTXSID0047371 ER Pathway Model, Agonist Model Score 0.00507 Unitless NCC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC=C(O1)C#CC1=CC=CC=C1F AVE5638 725228-45-5|AVE5638|A002195638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047371
ERPathway2016 ERPathway2016_441 AVE5638 725228-45-5 DTXSID0047371 ER Pathway Model, Antagonist Model Score 0.00382 Unitless NCC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC=C(O1)C#CC1=CC=CC=C1F AVE5638 725228-45-5|AVE5638|A002195638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047371
ERPathway2016 ERPathway2016_441 AVE5638 725228-45-5 DTXSID0047371 ER Pathway Model, Agonist Call Inactive Unitless NCC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC=C(O1)C#CC1=CC=CC=C1F AVE5638 725228-45-5|AVE5638|A002195638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047371
ERPathway2016 ERPathway2016_441 AVE5638 725228-45-5 DTXSID0047371 ER Pathway Model, Antagonist Call Active Unitless NCC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC=C(O1)C#CC1=CC=CC=C1F AVE5638 725228-45-5|AVE5638|A002195638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047371
ARPathway2016 ARPathway2016_389 AVE6324 NOCAS_47377 DTXSID0047377 FLAG: Wrong direction shift (Hit/Hit) 0.0 Agonist AR Pathway Model, Antagonist AC50 8.0902848633831 uM Cl.CCOC(=O)O[C@H](C)OC(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C AVE6324 NOCAS_47377|AVE6324|A003086324A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047377
ARPathway2016 ARPathway2016_389 AVE6324 NOCAS_47377 DTXSID0047377 FLAG: Wrong direction shift (Hit/Hit) 0.0 Agonist AR Pathway Model, Antagonist ACC 7.83677881137091 uM Cl.CCOC(=O)O[C@H](C)OC(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C AVE6324 NOCAS_47377|AVE6324|A003086324A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047377
ARPathway2016 ARPathway2016_389 AVE6324 NOCAS_47377 DTXSID0047377 FLAG: Wrong direction shift (Hit/Hit) 0.0 Agonist AR Pathway Model, Antagonist Model Score 0.0219 Unitless Cl.CCOC(=O)O[C@H](C)OC(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C AVE6324 NOCAS_47377|AVE6324|A003086324A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047377
ARPathway2016 ARPathway2016_389 AVE6324 NOCAS_47377 DTXSID0047377 FLAG: Wrong direction shift (Hit/Hit) 0.0 Agonist AR Pathway Model, Agonist Model Score 0.174 Unitless Cl.CCOC(=O)O[C@H](C)OC(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C AVE6324 NOCAS_47377|AVE6324|A003086324A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047377
ARPathway2016 ARPathway2016_389 AVE6324 NOCAS_47377 DTXSID0047377 FLAG: Wrong direction shift (Hit/Hit) 0.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless Cl.CCOC(=O)O[C@H](C)OC(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C AVE6324 NOCAS_47377|AVE6324|A003086324A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047377
ARPathway2016 ARPathway2016_389 AVE6324 NOCAS_47377 DTXSID0047377 FLAG: Wrong direction shift (Hit/Hit) 0.0 Agonist AR Pathway Model, Antagonist Call Active Unitless Cl.CCOC(=O)O[C@H](C)OC(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C AVE6324 NOCAS_47377|AVE6324|A003086324A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047377
ERPathway2016 ERPathway2016_372 AVE6324 NOCAS_47377 DTXSID0047377 ER Pathway Model, Antagonist AC50 25.0300771861774 uM Cl.CCOC(=O)O[C@H](C)OC(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C AVE6324 NOCAS_47377|AVE6324|A003086324A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047377
ERPathway2016 ERPathway2016_372 AVE6324 NOCAS_47377 DTXSID0047377 ER Pathway Model, Antagonist ACC 18.0445988779623 uM Cl.CCOC(=O)O[C@H](C)OC(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C AVE6324 NOCAS_47377|AVE6324|A003086324A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047377
ERPathway2016 ERPathway2016_372 AVE6324 NOCAS_47377 DTXSID0047377 ER Pathway Model, Agonist Model Score 0.0137 Unitless Cl.CCOC(=O)O[C@H](C)OC(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C AVE6324 NOCAS_47377|AVE6324|A003086324A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047377
ERPathway2016 ERPathway2016_372 AVE6324 NOCAS_47377 DTXSID0047377 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CCOC(=O)O[C@H](C)OC(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C AVE6324 NOCAS_47377|AVE6324|A003086324A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047377
ERPathway2016 ERPathway2016_372 AVE6324 NOCAS_47377 DTXSID0047377 ER Pathway Model, Agonist Call Inactive Unitless Cl.CCOC(=O)O[C@H](C)OC(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C AVE6324 NOCAS_47377|AVE6324|A003086324A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047377
ERPathway2016 ERPathway2016_372 AVE6324 NOCAS_47377 DTXSID0047377 ER Pathway Model, Antagonist Call Active Unitless Cl.CCOC(=O)O[C@H](C)OC(=O)C1=CC=C2N(CC3=NOC(=C3)C3=CC=C(Cl)S3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C AVE6324 NOCAS_47377|AVE6324|A003086324A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047377
ARPathway2016 ARPathway2016_1651 AVE9423 862243-29-6 DTXSID0047375 1.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC=CC=C1N1C=C(C(O)=O)C(=O)C2=C1C=C(Cl)C(NC1=C(F)C=C(F)C=C1Cl)=C2 AVE9423 862243-29-6|AVE9423 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047375
ARPathway2016 ARPathway2016_1651 AVE9423 862243-29-6 DTXSID0047375 1.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC=CC=C1N1C=C(C(O)=O)C(=O)C2=C1C=C(Cl)C(NC1=C(F)C=C(F)C=C1Cl)=C2 AVE9423 862243-29-6|AVE9423 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047375
ARPathway2016 ARPathway2016_1651 AVE9423 862243-29-6 DTXSID0047375 1.0 A3 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC=CC=C1N1C=C(C(O)=O)C(=O)C2=C1C=C(Cl)C(NC1=C(F)C=C(F)C=C1Cl)=C2 AVE9423 862243-29-6|AVE9423 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047375
ARPathway2016 ARPathway2016_1651 AVE9423 862243-29-6 DTXSID0047375 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC=CC=C1N1C=C(C(O)=O)C(=O)C2=C1C=C(Cl)C(NC1=C(F)C=C(F)C=C1Cl)=C2 AVE9423 862243-29-6|AVE9423 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047375
ERPathway2016 ERPathway2016_1708 AVE9423 862243-29-6 DTXSID0047375 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC=CC=C1N1C=C(C(O)=O)C(=O)C2=C1C=C(Cl)C(NC1=C(F)C=C(F)C=C1Cl)=C2 AVE9423 862243-29-6|AVE9423 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047375
ERPathway2016 ERPathway2016_1708 AVE9423 862243-29-6 DTXSID0047375 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC=CC=C1N1C=C(C(O)=O)C(=O)C2=C1C=C(Cl)C(NC1=C(F)C=C(F)C=C1Cl)=C2 AVE9423 862243-29-6|AVE9423 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047375
ERPathway2016 ERPathway2016_1708 AVE9423 862243-29-6 DTXSID0047375 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC=CC=C1N1C=C(C(O)=O)C(=O)C2=C1C=C(Cl)C(NC1=C(F)C=C(F)C=C1Cl)=C2 AVE9423 862243-29-6|AVE9423 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047375
ERPathway2016 ERPathway2016_1708 AVE9423 862243-29-6 DTXSID0047375 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC=CC=C1N1C=C(C(O)=O)C(=O)C2=C1C=C(Cl)C(NC1=C(F)C=C(F)C=C1Cl)=C2 AVE9423 862243-29-6|AVE9423 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047375
ARPathway2016 ARPathway2016_162 Azamethiphos 35575-96-3 DTXSID9034818 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Agonist AC50 58.32956219 uM COP(=O)(OC)SCN1C(=O)OC2=CC(Cl)=CN=C12 Azamethiphos 35575-96-3|Azamethiphos|252-626-0|6-Chloro-3-dimethoxyphosphinoylthiomethyl-1,3-oxazolo(4,5-b)pyridin-2(3H)-one|azamethiphos|Azametiphos|BRN 1086470|CGA 18809|Ciba-Geigy 18809|EC No.: 252-626-0|EINECS 252-626-0|OMS No 1825|Oxazolo[4,5-b]pyridine, phosphorothioic acid deriv.|Phosphorothioic acid, S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl ester|S-((6-Chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)methyl) O,O-dimethyl phosphorothioate|S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl thiophosphate|Salmosan|Snip|UNII-9440R8149U|51274-12-5|59217-99-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034818
ARPathway2016 ARPathway2016_162 Azamethiphos 35575-96-3 DTXSID9034818 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Agonist ACC 77.28679028 uM COP(=O)(OC)SCN1C(=O)OC2=CC(Cl)=CN=C12 Azamethiphos 35575-96-3|Azamethiphos|252-626-0|6-Chloro-3-dimethoxyphosphinoylthiomethyl-1,3-oxazolo(4,5-b)pyridin-2(3H)-one|azamethiphos|Azametiphos|BRN 1086470|CGA 18809|Ciba-Geigy 18809|EC No.: 252-626-0|EINECS 252-626-0|OMS No 1825|Oxazolo[4,5-b]pyridine, phosphorothioic acid deriv.|Phosphorothioic acid, S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl ester|S-((6-Chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)methyl) O,O-dimethyl phosphorothioate|S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl thiophosphate|Salmosan|Snip|UNII-9440R8149U|51274-12-5|59217-99-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034818
ARPathway2016 ARPathway2016_162 Azamethiphos 35575-96-3 DTXSID9034818 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Antagonist Model Score 0.0312 Unitless COP(=O)(OC)SCN1C(=O)OC2=CC(Cl)=CN=C12 Azamethiphos 35575-96-3|Azamethiphos|252-626-0|6-Chloro-3-dimethoxyphosphinoylthiomethyl-1,3-oxazolo(4,5-b)pyridin-2(3H)-one|azamethiphos|Azametiphos|BRN 1086470|CGA 18809|Ciba-Geigy 18809|EC No.: 252-626-0|EINECS 252-626-0|OMS No 1825|Oxazolo[4,5-b]pyridine, phosphorothioic acid deriv.|Phosphorothioic acid, S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl ester|S-((6-Chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)methyl) O,O-dimethyl phosphorothioate|S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl thiophosphate|Salmosan|Snip|UNII-9440R8149U|51274-12-5|59217-99-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034818
ARPathway2016 ARPathway2016_162 Azamethiphos 35575-96-3 DTXSID9034818 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless COP(=O)(OC)SCN1C(=O)OC2=CC(Cl)=CN=C12 Azamethiphos 35575-96-3|Azamethiphos|252-626-0|6-Chloro-3-dimethoxyphosphinoylthiomethyl-1,3-oxazolo(4,5-b)pyridin-2(3H)-one|azamethiphos|Azametiphos|BRN 1086470|CGA 18809|Ciba-Geigy 18809|EC No.: 252-626-0|EINECS 252-626-0|OMS No 1825|Oxazolo[4,5-b]pyridine, phosphorothioic acid deriv.|Phosphorothioic acid, S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl ester|S-((6-Chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)methyl) O,O-dimethyl phosphorothioate|S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl thiophosphate|Salmosan|Snip|UNII-9440R8149U|51274-12-5|59217-99-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034818
ARPathway2016 ARPathway2016_162 Azamethiphos 35575-96-3 DTXSID9034818 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Agonist Call Active Unitless COP(=O)(OC)SCN1C(=O)OC2=CC(Cl)=CN=C12 Azamethiphos 35575-96-3|Azamethiphos|252-626-0|6-Chloro-3-dimethoxyphosphinoylthiomethyl-1,3-oxazolo(4,5-b)pyridin-2(3H)-one|azamethiphos|Azametiphos|BRN 1086470|CGA 18809|Ciba-Geigy 18809|EC No.: 252-626-0|EINECS 252-626-0|OMS No 1825|Oxazolo[4,5-b]pyridine, phosphorothioic acid deriv.|Phosphorothioic acid, S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl ester|S-((6-Chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)methyl) O,O-dimethyl phosphorothioate|S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl thiophosphate|Salmosan|Snip|UNII-9440R8149U|51274-12-5|59217-99-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034818
ARPathway2016 ARPathway2016_162 Azamethiphos 35575-96-3 DTXSID9034818 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless COP(=O)(OC)SCN1C(=O)OC2=CC(Cl)=CN=C12 Azamethiphos 35575-96-3|Azamethiphos|252-626-0|6-Chloro-3-dimethoxyphosphinoylthiomethyl-1,3-oxazolo(4,5-b)pyridin-2(3H)-one|azamethiphos|Azametiphos|BRN 1086470|CGA 18809|Ciba-Geigy 18809|EC No.: 252-626-0|EINECS 252-626-0|OMS No 1825|Oxazolo[4,5-b]pyridine, phosphorothioic acid deriv.|Phosphorothioic acid, S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl ester|S-((6-Chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)methyl) O,O-dimethyl phosphorothioate|S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl thiophosphate|Salmosan|Snip|UNII-9440R8149U|51274-12-5|59217-99-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034818
ERPathway2016 ERPathway2016_1465 Azamethiphos 35575-96-3 DTXSID9034818 ER Pathway Model, Agonist Model Score 0 Unitless COP(=O)(OC)SCN1C(=O)OC2=CC(Cl)=CN=C12 Azamethiphos 35575-96-3|Azamethiphos|252-626-0|6-Chloro-3-dimethoxyphosphinoylthiomethyl-1,3-oxazolo(4,5-b)pyridin-2(3H)-one|azamethiphos|Azametiphos|BRN 1086470|CGA 18809|Ciba-Geigy 18809|EC No.: 252-626-0|EINECS 252-626-0|OMS No 1825|Oxazolo[4,5-b]pyridine, phosphorothioic acid deriv.|Phosphorothioic acid, S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl ester|S-((6-Chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)methyl) O,O-dimethyl phosphorothioate|S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl thiophosphate|Salmosan|Snip|UNII-9440R8149U|51274-12-5|59217-99-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034818
ERPathway2016 ERPathway2016_1465 Azamethiphos 35575-96-3 DTXSID9034818 ER Pathway Model, Antagonist Model Score 0 Unitless COP(=O)(OC)SCN1C(=O)OC2=CC(Cl)=CN=C12 Azamethiphos 35575-96-3|Azamethiphos|252-626-0|6-Chloro-3-dimethoxyphosphinoylthiomethyl-1,3-oxazolo(4,5-b)pyridin-2(3H)-one|azamethiphos|Azametiphos|BRN 1086470|CGA 18809|Ciba-Geigy 18809|EC No.: 252-626-0|EINECS 252-626-0|OMS No 1825|Oxazolo[4,5-b]pyridine, phosphorothioic acid deriv.|Phosphorothioic acid, S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl ester|S-((6-Chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)methyl) O,O-dimethyl phosphorothioate|S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl thiophosphate|Salmosan|Snip|UNII-9440R8149U|51274-12-5|59217-99-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034818
ERPathway2016 ERPathway2016_1465 Azamethiphos 35575-96-3 DTXSID9034818 ER Pathway Model, Agonist Call Inactive Unitless COP(=O)(OC)SCN1C(=O)OC2=CC(Cl)=CN=C12 Azamethiphos 35575-96-3|Azamethiphos|252-626-0|6-Chloro-3-dimethoxyphosphinoylthiomethyl-1,3-oxazolo(4,5-b)pyridin-2(3H)-one|azamethiphos|Azametiphos|BRN 1086470|CGA 18809|Ciba-Geigy 18809|EC No.: 252-626-0|EINECS 252-626-0|OMS No 1825|Oxazolo[4,5-b]pyridine, phosphorothioic acid deriv.|Phosphorothioic acid, S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl ester|S-((6-Chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)methyl) O,O-dimethyl phosphorothioate|S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl thiophosphate|Salmosan|Snip|UNII-9440R8149U|51274-12-5|59217-99-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034818
ERPathway2016 ERPathway2016_1465 Azamethiphos 35575-96-3 DTXSID9034818 ER Pathway Model, Antagonist Call Inactive Unitless COP(=O)(OC)SCN1C(=O)OC2=CC(Cl)=CN=C12 Azamethiphos 35575-96-3|Azamethiphos|252-626-0|6-Chloro-3-dimethoxyphosphinoylthiomethyl-1,3-oxazolo(4,5-b)pyridin-2(3H)-one|azamethiphos|Azametiphos|BRN 1086470|CGA 18809|Ciba-Geigy 18809|EC No.: 252-626-0|EINECS 252-626-0|OMS No 1825|Oxazolo[4,5-b]pyridine, phosphorothioic acid deriv.|Phosphorothioic acid, S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl ester|S-((6-Chloro-2-oxo[1,3]oxazolo[4,5-b]pyridin-3(2H)-yl)methyl) O,O-dimethyl phosphorothioate|S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl thiophosphate|Salmosan|Snip|UNII-9440R8149U|51274-12-5|59217-99-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034818
ARPathway2016 ARPathway2016_1215 Azathioprine 446-86-6 DTXSID4020119 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O Azathioprine 446-86-6|Azathioprine|1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-|6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine|6-((1-Methyl-4-nitroimidazol-5-yl)thio)purine|6-(1-Methyl-4-nitroimidazol-5-yl)thiopurine|6-(1-Methyl-4-nitroimidazol-5-ylthio)purin|6-(1-Methyl-4-nitromidazol-5-ylthio)purine|6-(1-Methyl-p-nitro-5-imidazolyl)-thiopurine|6-(1'-Methyl-4'-nitro-5'-imidazolyl)-mercaptopurine|6-(1'-Methyl-4'-nitroimidazol-5'-ylthio)purine|6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-1H-purine|6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-9H-purine|6-1'-Methyl,4'-nitro,5'-imidazolyl mercaptopurine|9H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-|Azafor|Azamune|Azanin|Azasan|Azathioprin|azathioprine|Azathioprine, 6-(1-Methyl-4-nitro-5-imidazolyl)thiopurine|Azathioprinum|Azathropine|Azatioprin|azatioprina|Azoran|Azothioprine|BW 57-322|EINECS 207-175-4|Imuran|Imuran (TN)|Imurek|Methylnitroimidazolylmercaptopurine|NCI-C03474|NSC 39084|NSC-39084|Purine, 6-(1-methyl-4-nitro-5-imidazolylthio)-|Purine, 6-[(1-methyl-4-nitroimid|11120-16-4|33609-91-5|6165-04-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020119 https://doi.org/10.22427/NTP-DATA-DTXSID4020119
ARPathway2016 ARPathway2016_1215 Azathioprine 446-86-6 DTXSID4020119 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O Azathioprine 446-86-6|Azathioprine|1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-|6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine|6-((1-Methyl-4-nitroimidazol-5-yl)thio)purine|6-(1-Methyl-4-nitroimidazol-5-yl)thiopurine|6-(1-Methyl-4-nitroimidazol-5-ylthio)purin|6-(1-Methyl-4-nitromidazol-5-ylthio)purine|6-(1-Methyl-p-nitro-5-imidazolyl)-thiopurine|6-(1'-Methyl-4'-nitro-5'-imidazolyl)-mercaptopurine|6-(1'-Methyl-4'-nitroimidazol-5'-ylthio)purine|6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-1H-purine|6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-9H-purine|6-1'-Methyl,4'-nitro,5'-imidazolyl mercaptopurine|9H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-|Azafor|Azamune|Azanin|Azasan|Azathioprin|azathioprine|Azathioprine, 6-(1-Methyl-4-nitro-5-imidazolyl)thiopurine|Azathioprinum|Azathropine|Azatioprin|azatioprina|Azoran|Azothioprine|BW 57-322|EINECS 207-175-4|Imuran|Imuran (TN)|Imurek|Methylnitroimidazolylmercaptopurine|NCI-C03474|NSC 39084|NSC-39084|Purine, 6-(1-methyl-4-nitro-5-imidazolylthio)-|Purine, 6-[(1-methyl-4-nitroimid|11120-16-4|33609-91-5|6165-04-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020119 https://doi.org/10.22427/NTP-DATA-DTXSID4020119
ARPathway2016 ARPathway2016_1215 Azathioprine 446-86-6 DTXSID4020119 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O Azathioprine 446-86-6|Azathioprine|1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-|6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine|6-((1-Methyl-4-nitroimidazol-5-yl)thio)purine|6-(1-Methyl-4-nitroimidazol-5-yl)thiopurine|6-(1-Methyl-4-nitroimidazol-5-ylthio)purin|6-(1-Methyl-4-nitromidazol-5-ylthio)purine|6-(1-Methyl-p-nitro-5-imidazolyl)-thiopurine|6-(1'-Methyl-4'-nitro-5'-imidazolyl)-mercaptopurine|6-(1'-Methyl-4'-nitroimidazol-5'-ylthio)purine|6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-1H-purine|6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-9H-purine|6-1'-Methyl,4'-nitro,5'-imidazolyl mercaptopurine|9H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-|Azafor|Azamune|Azanin|Azasan|Azathioprin|azathioprine|Azathioprine, 6-(1-Methyl-4-nitro-5-imidazolyl)thiopurine|Azathioprinum|Azathropine|Azatioprin|azatioprina|Azoran|Azothioprine|BW 57-322|EINECS 207-175-4|Imuran|Imuran (TN)|Imurek|Methylnitroimidazolylmercaptopurine|NCI-C03474|NSC 39084|NSC-39084|Purine, 6-(1-methyl-4-nitro-5-imidazolylthio)-|Purine, 6-[(1-methyl-4-nitroimid|11120-16-4|33609-91-5|6165-04-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020119 https://doi.org/10.22427/NTP-DATA-DTXSID4020119
ARPathway2016 ARPathway2016_1215 Azathioprine 446-86-6 DTXSID4020119 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O Azathioprine 446-86-6|Azathioprine|1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-|6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine|6-((1-Methyl-4-nitroimidazol-5-yl)thio)purine|6-(1-Methyl-4-nitroimidazol-5-yl)thiopurine|6-(1-Methyl-4-nitroimidazol-5-ylthio)purin|6-(1-Methyl-4-nitromidazol-5-ylthio)purine|6-(1-Methyl-p-nitro-5-imidazolyl)-thiopurine|6-(1'-Methyl-4'-nitro-5'-imidazolyl)-mercaptopurine|6-(1'-Methyl-4'-nitroimidazol-5'-ylthio)purine|6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-1H-purine|6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-9H-purine|6-1'-Methyl,4'-nitro,5'-imidazolyl mercaptopurine|9H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-|Azafor|Azamune|Azanin|Azasan|Azathioprin|azathioprine|Azathioprine, 6-(1-Methyl-4-nitro-5-imidazolyl)thiopurine|Azathioprinum|Azathropine|Azatioprin|azatioprina|Azoran|Azothioprine|BW 57-322|EINECS 207-175-4|Imuran|Imuran (TN)|Imurek|Methylnitroimidazolylmercaptopurine|NCI-C03474|NSC 39084|NSC-39084|Purine, 6-(1-methyl-4-nitro-5-imidazolylthio)-|Purine, 6-[(1-methyl-4-nitroimid|11120-16-4|33609-91-5|6165-04-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020119 https://doi.org/10.22427/NTP-DATA-DTXSID4020119
ERPathway2016 ERPathway2016_859 Azathioprine 446-86-6 DTXSID4020119 ER Pathway Model, Agonist Model Score 0 Unitless CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O Azathioprine 446-86-6|Azathioprine|1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-|6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine|6-((1-Methyl-4-nitroimidazol-5-yl)thio)purine|6-(1-Methyl-4-nitroimidazol-5-yl)thiopurine|6-(1-Methyl-4-nitroimidazol-5-ylthio)purin|6-(1-Methyl-4-nitromidazol-5-ylthio)purine|6-(1-Methyl-p-nitro-5-imidazolyl)-thiopurine|6-(1'-Methyl-4'-nitro-5'-imidazolyl)-mercaptopurine|6-(1'-Methyl-4'-nitroimidazol-5'-ylthio)purine|6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-1H-purine|6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-9H-purine|6-1'-Methyl,4'-nitro,5'-imidazolyl mercaptopurine|9H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-|Azafor|Azamune|Azanin|Azasan|Azathioprin|azathioprine|Azathioprine, 6-(1-Methyl-4-nitro-5-imidazolyl)thiopurine|Azathioprinum|Azathropine|Azatioprin|azatioprina|Azoran|Azothioprine|BW 57-322|EINECS 207-175-4|Imuran|Imuran (TN)|Imurek|Methylnitroimidazolylmercaptopurine|NCI-C03474|NSC 39084|NSC-39084|Purine, 6-(1-methyl-4-nitro-5-imidazolylthio)-|Purine, 6-[(1-methyl-4-nitroimid|11120-16-4|33609-91-5|6165-04-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020119 https://doi.org/10.22427/NTP-DATA-DTXSID4020119
ERPathway2016 ERPathway2016_859 Azathioprine 446-86-6 DTXSID4020119 ER Pathway Model, Antagonist Model Score 0 Unitless CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O Azathioprine 446-86-6|Azathioprine|1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-|6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine|6-((1-Methyl-4-nitroimidazol-5-yl)thio)purine|6-(1-Methyl-4-nitroimidazol-5-yl)thiopurine|6-(1-Methyl-4-nitroimidazol-5-ylthio)purin|6-(1-Methyl-4-nitromidazol-5-ylthio)purine|6-(1-Methyl-p-nitro-5-imidazolyl)-thiopurine|6-(1'-Methyl-4'-nitro-5'-imidazolyl)-mercaptopurine|6-(1'-Methyl-4'-nitroimidazol-5'-ylthio)purine|6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-1H-purine|6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-9H-purine|6-1'-Methyl,4'-nitro,5'-imidazolyl mercaptopurine|9H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-|Azafor|Azamune|Azanin|Azasan|Azathioprin|azathioprine|Azathioprine, 6-(1-Methyl-4-nitro-5-imidazolyl)thiopurine|Azathioprinum|Azathropine|Azatioprin|azatioprina|Azoran|Azothioprine|BW 57-322|EINECS 207-175-4|Imuran|Imuran (TN)|Imurek|Methylnitroimidazolylmercaptopurine|NCI-C03474|NSC 39084|NSC-39084|Purine, 6-(1-methyl-4-nitro-5-imidazolylthio)-|Purine, 6-[(1-methyl-4-nitroimid|11120-16-4|33609-91-5|6165-04-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020119 https://doi.org/10.22427/NTP-DATA-DTXSID4020119
ERPathway2016 ERPathway2016_859 Azathioprine 446-86-6 DTXSID4020119 ER Pathway Model, Agonist Call Inactive Unitless CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O Azathioprine 446-86-6|Azathioprine|1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-|6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine|6-((1-Methyl-4-nitroimidazol-5-yl)thio)purine|6-(1-Methyl-4-nitroimidazol-5-yl)thiopurine|6-(1-Methyl-4-nitroimidazol-5-ylthio)purin|6-(1-Methyl-4-nitromidazol-5-ylthio)purine|6-(1-Methyl-p-nitro-5-imidazolyl)-thiopurine|6-(1'-Methyl-4'-nitro-5'-imidazolyl)-mercaptopurine|6-(1'-Methyl-4'-nitroimidazol-5'-ylthio)purine|6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-1H-purine|6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-9H-purine|6-1'-Methyl,4'-nitro,5'-imidazolyl mercaptopurine|9H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-|Azafor|Azamune|Azanin|Azasan|Azathioprin|azathioprine|Azathioprine, 6-(1-Methyl-4-nitro-5-imidazolyl)thiopurine|Azathioprinum|Azathropine|Azatioprin|azatioprina|Azoran|Azothioprine|BW 57-322|EINECS 207-175-4|Imuran|Imuran (TN)|Imurek|Methylnitroimidazolylmercaptopurine|NCI-C03474|NSC 39084|NSC-39084|Purine, 6-(1-methyl-4-nitro-5-imidazolylthio)-|Purine, 6-[(1-methyl-4-nitroimid|11120-16-4|33609-91-5|6165-04-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020119 https://doi.org/10.22427/NTP-DATA-DTXSID4020119
ERPathway2016 ERPathway2016_859 Azathioprine 446-86-6 DTXSID4020119 ER Pathway Model, Antagonist Call Inactive Unitless CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O Azathioprine 446-86-6|Azathioprine|1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-|6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine|6-((1-Methyl-4-nitroimidazol-5-yl)thio)purine|6-(1-Methyl-4-nitroimidazol-5-yl)thiopurine|6-(1-Methyl-4-nitroimidazol-5-ylthio)purin|6-(1-Methyl-4-nitromidazol-5-ylthio)purine|6-(1-Methyl-p-nitro-5-imidazolyl)-thiopurine|6-(1'-Methyl-4'-nitro-5'-imidazolyl)-mercaptopurine|6-(1'-Methyl-4'-nitroimidazol-5'-ylthio)purine|6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-1H-purine|6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-9H-purine|6-1'-Methyl,4'-nitro,5'-imidazolyl mercaptopurine|9H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-|Azafor|Azamune|Azanin|Azasan|Azathioprin|azathioprine|Azathioprine, 6-(1-Methyl-4-nitro-5-imidazolyl)thiopurine|Azathioprinum|Azathropine|Azatioprin|azatioprina|Azoran|Azothioprine|BW 57-322|EINECS 207-175-4|Imuran|Imuran (TN)|Imurek|Methylnitroimidazolylmercaptopurine|NCI-C03474|NSC 39084|NSC-39084|Purine, 6-(1-methyl-4-nitro-5-imidazolylthio)-|Purine, 6-[(1-methyl-4-nitroimid|11120-16-4|33609-91-5|6165-04-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020119 https://doi.org/10.22427/NTP-DATA-DTXSID4020119
ARPathway2016 ARPathway2016_303 Azinphos-methyl 86-50-0 DTXSID3020122 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 33.14530757 uM COP(=S)(OC)SCN1N=NC2=C(C=CC=C2)C1=O Azinphos-methyl 86-50-0|Azinphos-methyl|1,2,3-Benzotriazin-4(3H)-one, 3-(mercaptomethyl)-, O,O-dimethyl phosphorodithioate|3-(Mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one O,O-dimethyl phosphorodithioate S-ester|3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one, O,O-dimethyl phosphorodithioate|3-Dimethoxyphosphinothioylthiomethyl-1,2,3-benzotriazin-4(3H)-one|Azinfos-methyl|azinfos-metil|Azinphos|Azinphos M|AZINPHOS METHYL|Azinphos-metile|Azinphosmethyl|Azinugec|Bayer 17147|Benzotriazine derivative of a methyl dithiophosphate|Benzotriazinedithiophosphoric acid dimethoxy ester|BRN 0280476|Carfene|Caswell No. 374|Cotneon|Cotnion|Cotnion methyl|Cotnion-methyl|Crysthion 2L|Crysthyon|Dimethyldithiophosphoric acid N-methylbenzazimide ester|EINECS 201-676-1|EPA Pesticide Chemical Code 058001|EPA Shaughnessy #058001|Gusathion|Gusathion 20|Gusathion 25|Gusathion M|Gusathion methyl|Gusathion-20|Gusathion-methyl|GUTHION|Metazintox|Methyl guthion|Methyl-azinphos|Methylazinphos|Methylgusathion|Metiltriazotion|N-Methylbenzazimide, dimethyldithiophosphoric acid ester|54182-73-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020122 https://doi.org/10.22427/NTP-DATA-DTXSID3020122
ARPathway2016 ARPathway2016_303 Azinphos-methyl 86-50-0 DTXSID3020122 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 40.4553122860072 uM COP(=S)(OC)SCN1N=NC2=C(C=CC=C2)C1=O Azinphos-methyl 86-50-0|Azinphos-methyl|1,2,3-Benzotriazin-4(3H)-one, 3-(mercaptomethyl)-, O,O-dimethyl phosphorodithioate|3-(Mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one O,O-dimethyl phosphorodithioate S-ester|3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one, O,O-dimethyl phosphorodithioate|3-Dimethoxyphosphinothioylthiomethyl-1,2,3-benzotriazin-4(3H)-one|Azinfos-methyl|azinfos-metil|Azinphos|Azinphos M|AZINPHOS METHYL|Azinphos-metile|Azinphosmethyl|Azinugec|Bayer 17147|Benzotriazine derivative of a methyl dithiophosphate|Benzotriazinedithiophosphoric acid dimethoxy ester|BRN 0280476|Carfene|Caswell No. 374|Cotneon|Cotnion|Cotnion methyl|Cotnion-methyl|Crysthion 2L|Crysthyon|Dimethyldithiophosphoric acid N-methylbenzazimide ester|EINECS 201-676-1|EPA Pesticide Chemical Code 058001|EPA Shaughnessy #058001|Gusathion|Gusathion 20|Gusathion 25|Gusathion M|Gusathion methyl|Gusathion-20|Gusathion-methyl|GUTHION|Metazintox|Methyl guthion|Methyl-azinphos|Methylazinphos|Methylgusathion|Metiltriazotion|N-Methylbenzazimide, dimethyldithiophosphoric acid ester|54182-73-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020122 https://doi.org/10.22427/NTP-DATA-DTXSID3020122
ARPathway2016 ARPathway2016_303 Azinphos-methyl 86-50-0 DTXSID3020122 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.176 Unitless COP(=S)(OC)SCN1N=NC2=C(C=CC=C2)C1=O Azinphos-methyl 86-50-0|Azinphos-methyl|1,2,3-Benzotriazin-4(3H)-one, 3-(mercaptomethyl)-, O,O-dimethyl phosphorodithioate|3-(Mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one O,O-dimethyl phosphorodithioate S-ester|3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one, O,O-dimethyl phosphorodithioate|3-Dimethoxyphosphinothioylthiomethyl-1,2,3-benzotriazin-4(3H)-one|Azinfos-methyl|azinfos-metil|Azinphos|Azinphos M|AZINPHOS METHYL|Azinphos-metile|Azinphosmethyl|Azinugec|Bayer 17147|Benzotriazine derivative of a methyl dithiophosphate|Benzotriazinedithiophosphoric acid dimethoxy ester|BRN 0280476|Carfene|Caswell No. 374|Cotneon|Cotnion|Cotnion methyl|Cotnion-methyl|Crysthion 2L|Crysthyon|Dimethyldithiophosphoric acid N-methylbenzazimide ester|EINECS 201-676-1|EPA Pesticide Chemical Code 058001|EPA Shaughnessy #058001|Gusathion|Gusathion 20|Gusathion 25|Gusathion M|Gusathion methyl|Gusathion-20|Gusathion-methyl|GUTHION|Metazintox|Methyl guthion|Methyl-azinphos|Methylazinphos|Methylgusathion|Metiltriazotion|N-Methylbenzazimide, dimethyldithiophosphoric acid ester|54182-73-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020122 https://doi.org/10.22427/NTP-DATA-DTXSID3020122
ARPathway2016 ARPathway2016_303 Azinphos-methyl 86-50-0 DTXSID3020122 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless COP(=S)(OC)SCN1N=NC2=C(C=CC=C2)C1=O Azinphos-methyl 86-50-0|Azinphos-methyl|1,2,3-Benzotriazin-4(3H)-one, 3-(mercaptomethyl)-, O,O-dimethyl phosphorodithioate|3-(Mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one O,O-dimethyl phosphorodithioate S-ester|3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one, O,O-dimethyl phosphorodithioate|3-Dimethoxyphosphinothioylthiomethyl-1,2,3-benzotriazin-4(3H)-one|Azinfos-methyl|azinfos-metil|Azinphos|Azinphos M|AZINPHOS METHYL|Azinphos-metile|Azinphosmethyl|Azinugec|Bayer 17147|Benzotriazine derivative of a methyl dithiophosphate|Benzotriazinedithiophosphoric acid dimethoxy ester|BRN 0280476|Carfene|Caswell No. 374|Cotneon|Cotnion|Cotnion methyl|Cotnion-methyl|Crysthion 2L|Crysthyon|Dimethyldithiophosphoric acid N-methylbenzazimide ester|EINECS 201-676-1|EPA Pesticide Chemical Code 058001|EPA Shaughnessy #058001|Gusathion|Gusathion 20|Gusathion 25|Gusathion M|Gusathion methyl|Gusathion-20|Gusathion-methyl|GUTHION|Metazintox|Methyl guthion|Methyl-azinphos|Methylazinphos|Methylgusathion|Metiltriazotion|N-Methylbenzazimide, dimethyldithiophosphoric acid ester|54182-73-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020122 https://doi.org/10.22427/NTP-DATA-DTXSID3020122
ARPathway2016 ARPathway2016_303 Azinphos-methyl 86-50-0 DTXSID3020122 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless COP(=S)(OC)SCN1N=NC2=C(C=CC=C2)C1=O Azinphos-methyl 86-50-0|Azinphos-methyl|1,2,3-Benzotriazin-4(3H)-one, 3-(mercaptomethyl)-, O,O-dimethyl phosphorodithioate|3-(Mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one O,O-dimethyl phosphorodithioate S-ester|3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one, O,O-dimethyl phosphorodithioate|3-Dimethoxyphosphinothioylthiomethyl-1,2,3-benzotriazin-4(3H)-one|Azinfos-methyl|azinfos-metil|Azinphos|Azinphos M|AZINPHOS METHYL|Azinphos-metile|Azinphosmethyl|Azinugec|Bayer 17147|Benzotriazine derivative of a methyl dithiophosphate|Benzotriazinedithiophosphoric acid dimethoxy ester|BRN 0280476|Carfene|Caswell No. 374|Cotneon|Cotnion|Cotnion methyl|Cotnion-methyl|Crysthion 2L|Crysthyon|Dimethyldithiophosphoric acid N-methylbenzazimide ester|EINECS 201-676-1|EPA Pesticide Chemical Code 058001|EPA Shaughnessy #058001|Gusathion|Gusathion 20|Gusathion 25|Gusathion M|Gusathion methyl|Gusathion-20|Gusathion-methyl|GUTHION|Metazintox|Methyl guthion|Methyl-azinphos|Methylazinphos|Methylgusathion|Metiltriazotion|N-Methylbenzazimide, dimethyldithiophosphoric acid ester|54182-73-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020122 https://doi.org/10.22427/NTP-DATA-DTXSID3020122
ARPathway2016 ARPathway2016_303 Azinphos-methyl 86-50-0 DTXSID3020122 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless COP(=S)(OC)SCN1N=NC2=C(C=CC=C2)C1=O Azinphos-methyl 86-50-0|Azinphos-methyl|1,2,3-Benzotriazin-4(3H)-one, 3-(mercaptomethyl)-, O,O-dimethyl phosphorodithioate|3-(Mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one O,O-dimethyl phosphorodithioate S-ester|3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one, O,O-dimethyl phosphorodithioate|3-Dimethoxyphosphinothioylthiomethyl-1,2,3-benzotriazin-4(3H)-one|Azinfos-methyl|azinfos-metil|Azinphos|Azinphos M|AZINPHOS METHYL|Azinphos-metile|Azinphosmethyl|Azinugec|Bayer 17147|Benzotriazine derivative of a methyl dithiophosphate|Benzotriazinedithiophosphoric acid dimethoxy ester|BRN 0280476|Carfene|Caswell No. 374|Cotneon|Cotnion|Cotnion methyl|Cotnion-methyl|Crysthion 2L|Crysthyon|Dimethyldithiophosphoric acid N-methylbenzazimide ester|EINECS 201-676-1|EPA Pesticide Chemical Code 058001|EPA Shaughnessy #058001|Gusathion|Gusathion 20|Gusathion 25|Gusathion M|Gusathion methyl|Gusathion-20|Gusathion-methyl|GUTHION|Metazintox|Methyl guthion|Methyl-azinphos|Methylazinphos|Methylgusathion|Metiltriazotion|N-Methylbenzazimide, dimethyldithiophosphoric acid ester|54182-73-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020122 https://doi.org/10.22427/NTP-DATA-DTXSID3020122
ERPathway2016 ERPathway2016_853 Azinphos-methyl 86-50-0 DTXSID3020122 ER Pathway Model, Agonist Model Score 0 Unitless COP(=S)(OC)SCN1N=NC2=C(C=CC=C2)C1=O Azinphos-methyl 86-50-0|Azinphos-methyl|1,2,3-Benzotriazin-4(3H)-one, 3-(mercaptomethyl)-, O,O-dimethyl phosphorodithioate|3-(Mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one O,O-dimethyl phosphorodithioate S-ester|3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one, O,O-dimethyl phosphorodithioate|3-Dimethoxyphosphinothioylthiomethyl-1,2,3-benzotriazin-4(3H)-one|Azinfos-methyl|azinfos-metil|Azinphos|Azinphos M|AZINPHOS METHYL|Azinphos-metile|Azinphosmethyl|Azinugec|Bayer 17147|Benzotriazine derivative of a methyl dithiophosphate|Benzotriazinedithiophosphoric acid dimethoxy ester|BRN 0280476|Carfene|Caswell No. 374|Cotneon|Cotnion|Cotnion methyl|Cotnion-methyl|Crysthion 2L|Crysthyon|Dimethyldithiophosphoric acid N-methylbenzazimide ester|EINECS 201-676-1|EPA Pesticide Chemical Code 058001|EPA Shaughnessy #058001|Gusathion|Gusathion 20|Gusathion 25|Gusathion M|Gusathion methyl|Gusathion-20|Gusathion-methyl|GUTHION|Metazintox|Methyl guthion|Methyl-azinphos|Methylazinphos|Methylgusathion|Metiltriazotion|N-Methylbenzazimide, dimethyldithiophosphoric acid ester|54182-73-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020122 https://doi.org/10.22427/NTP-DATA-DTXSID3020122
ERPathway2016 ERPathway2016_853 Azinphos-methyl 86-50-0 DTXSID3020122 ER Pathway Model, Antagonist Model Score 0 Unitless COP(=S)(OC)SCN1N=NC2=C(C=CC=C2)C1=O Azinphos-methyl 86-50-0|Azinphos-methyl|1,2,3-Benzotriazin-4(3H)-one, 3-(mercaptomethyl)-, O,O-dimethyl phosphorodithioate|3-(Mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one O,O-dimethyl phosphorodithioate S-ester|3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one, O,O-dimethyl phosphorodithioate|3-Dimethoxyphosphinothioylthiomethyl-1,2,3-benzotriazin-4(3H)-one|Azinfos-methyl|azinfos-metil|Azinphos|Azinphos M|AZINPHOS METHYL|Azinphos-metile|Azinphosmethyl|Azinugec|Bayer 17147|Benzotriazine derivative of a methyl dithiophosphate|Benzotriazinedithiophosphoric acid dimethoxy ester|BRN 0280476|Carfene|Caswell No. 374|Cotneon|Cotnion|Cotnion methyl|Cotnion-methyl|Crysthion 2L|Crysthyon|Dimethyldithiophosphoric acid N-methylbenzazimide ester|EINECS 201-676-1|EPA Pesticide Chemical Code 058001|EPA Shaughnessy #058001|Gusathion|Gusathion 20|Gusathion 25|Gusathion M|Gusathion methyl|Gusathion-20|Gusathion-methyl|GUTHION|Metazintox|Methyl guthion|Methyl-azinphos|Methylazinphos|Methylgusathion|Metiltriazotion|N-Methylbenzazimide, dimethyldithiophosphoric acid ester|54182-73-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020122 https://doi.org/10.22427/NTP-DATA-DTXSID3020122
ERPathway2016 ERPathway2016_853 Azinphos-methyl 86-50-0 DTXSID3020122 ER Pathway Model, Agonist Call Inactive Unitless COP(=S)(OC)SCN1N=NC2=C(C=CC=C2)C1=O Azinphos-methyl 86-50-0|Azinphos-methyl|1,2,3-Benzotriazin-4(3H)-one, 3-(mercaptomethyl)-, O,O-dimethyl phosphorodithioate|3-(Mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one O,O-dimethyl phosphorodithioate S-ester|3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one, O,O-dimethyl phosphorodithioate|3-Dimethoxyphosphinothioylthiomethyl-1,2,3-benzotriazin-4(3H)-one|Azinfos-methyl|azinfos-metil|Azinphos|Azinphos M|AZINPHOS METHYL|Azinphos-metile|Azinphosmethyl|Azinugec|Bayer 17147|Benzotriazine derivative of a methyl dithiophosphate|Benzotriazinedithiophosphoric acid dimethoxy ester|BRN 0280476|Carfene|Caswell No. 374|Cotneon|Cotnion|Cotnion methyl|Cotnion-methyl|Crysthion 2L|Crysthyon|Dimethyldithiophosphoric acid N-methylbenzazimide ester|EINECS 201-676-1|EPA Pesticide Chemical Code 058001|EPA Shaughnessy #058001|Gusathion|Gusathion 20|Gusathion 25|Gusathion M|Gusathion methyl|Gusathion-20|Gusathion-methyl|GUTHION|Metazintox|Methyl guthion|Methyl-azinphos|Methylazinphos|Methylgusathion|Metiltriazotion|N-Methylbenzazimide, dimethyldithiophosphoric acid ester|54182-73-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020122 https://doi.org/10.22427/NTP-DATA-DTXSID3020122
ERPathway2016 ERPathway2016_853 Azinphos-methyl 86-50-0 DTXSID3020122 ER Pathway Model, Antagonist Call Inactive Unitless COP(=S)(OC)SCN1N=NC2=C(C=CC=C2)C1=O Azinphos-methyl 86-50-0|Azinphos-methyl|1,2,3-Benzotriazin-4(3H)-one, 3-(mercaptomethyl)-, O,O-dimethyl phosphorodithioate|3-(Mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one O,O-dimethyl phosphorodithioate S-ester|3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one, O,O-dimethyl phosphorodithioate|3-Dimethoxyphosphinothioylthiomethyl-1,2,3-benzotriazin-4(3H)-one|Azinfos-methyl|azinfos-metil|Azinphos|Azinphos M|AZINPHOS METHYL|Azinphos-metile|Azinphosmethyl|Azinugec|Bayer 17147|Benzotriazine derivative of a methyl dithiophosphate|Benzotriazinedithiophosphoric acid dimethoxy ester|BRN 0280476|Carfene|Caswell No. 374|Cotneon|Cotnion|Cotnion methyl|Cotnion-methyl|Crysthion 2L|Crysthyon|Dimethyldithiophosphoric acid N-methylbenzazimide ester|EINECS 201-676-1|EPA Pesticide Chemical Code 058001|EPA Shaughnessy #058001|Gusathion|Gusathion 20|Gusathion 25|Gusathion M|Gusathion methyl|Gusathion-20|Gusathion-methyl|GUTHION|Metazintox|Methyl guthion|Methyl-azinphos|Methylazinphos|Methylgusathion|Metiltriazotion|N-Methylbenzazimide, dimethyldithiophosphoric acid ester|54182-73-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020122 https://doi.org/10.22427/NTP-DATA-DTXSID3020122
ARPathway2016 ARPathway2016_436 Azobenzene 103-33-3 DTXSID8020123 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless C1=CC=C(C=C1)N=NC1=CC=CC=C1 Azobenzene 103-33-3|Azobenzene|1-16-00-00218|1,2-Diphenyldiazene|203-102-5|azobenceno|Azobenzeen|Azobenzide|Azobenzol|Azobisbenzene|Azodibenzene|Azodibenzeneazofume|Azofume|Benzene, azo-|Benzene, azobis-|Benzene, azodi|Benzeneazobenzene|Benzofume|BRN 0742609|Caswell No. 064|Diazene, 1,2-diphenyl-|Diazene, diphenyl-|Diazobenzene|Diphenyldiazene|Diphenyldiimide|EINECS 203-102-5|EPA Pesticide Chemical Code 007401|NCI-C02926|NSC 2102|PC 007401|PC Code 007401|Phenylazobenzene|trans-Azobenzene|UNII-F0U1H6UG5C|USAF EK-704 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020123 https://doi.org/10.22427/NTP-DATA-DTXSID8020123
ARPathway2016 ARPathway2016_436 Azobenzene 103-33-3 DTXSID8020123 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless C1=CC=C(C=C1)N=NC1=CC=CC=C1 Azobenzene 103-33-3|Azobenzene|1-16-00-00218|1,2-Diphenyldiazene|203-102-5|azobenceno|Azobenzeen|Azobenzide|Azobenzol|Azobisbenzene|Azodibenzene|Azodibenzeneazofume|Azofume|Benzene, azo-|Benzene, azobis-|Benzene, azodi|Benzeneazobenzene|Benzofume|BRN 0742609|Caswell No. 064|Diazene, 1,2-diphenyl-|Diazene, diphenyl-|Diazobenzene|Diphenyldiazene|Diphenyldiimide|EINECS 203-102-5|EPA Pesticide Chemical Code 007401|NCI-C02926|NSC 2102|PC 007401|PC Code 007401|Phenylazobenzene|trans-Azobenzene|UNII-F0U1H6UG5C|USAF EK-704 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020123 https://doi.org/10.22427/NTP-DATA-DTXSID8020123
ARPathway2016 ARPathway2016_436 Azobenzene 103-33-3 DTXSID8020123 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless C1=CC=C(C=C1)N=NC1=CC=CC=C1 Azobenzene 103-33-3|Azobenzene|1-16-00-00218|1,2-Diphenyldiazene|203-102-5|azobenceno|Azobenzeen|Azobenzide|Azobenzol|Azobisbenzene|Azodibenzene|Azodibenzeneazofume|Azofume|Benzene, azo-|Benzene, azobis-|Benzene, azodi|Benzeneazobenzene|Benzofume|BRN 0742609|Caswell No. 064|Diazene, 1,2-diphenyl-|Diazene, diphenyl-|Diazobenzene|Diphenyldiazene|Diphenyldiimide|EINECS 203-102-5|EPA Pesticide Chemical Code 007401|NCI-C02926|NSC 2102|PC 007401|PC Code 007401|Phenylazobenzene|trans-Azobenzene|UNII-F0U1H6UG5C|USAF EK-704 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020123 https://doi.org/10.22427/NTP-DATA-DTXSID8020123
ARPathway2016 ARPathway2016_436 Azobenzene 103-33-3 DTXSID8020123 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless C1=CC=C(C=C1)N=NC1=CC=CC=C1 Azobenzene 103-33-3|Azobenzene|1-16-00-00218|1,2-Diphenyldiazene|203-102-5|azobenceno|Azobenzeen|Azobenzide|Azobenzol|Azobisbenzene|Azodibenzene|Azodibenzeneazofume|Azofume|Benzene, azo-|Benzene, azobis-|Benzene, azodi|Benzeneazobenzene|Benzofume|BRN 0742609|Caswell No. 064|Diazene, 1,2-diphenyl-|Diazene, diphenyl-|Diazobenzene|Diphenyldiazene|Diphenyldiimide|EINECS 203-102-5|EPA Pesticide Chemical Code 007401|NCI-C02926|NSC 2102|PC 007401|PC Code 007401|Phenylazobenzene|trans-Azobenzene|UNII-F0U1H6UG5C|USAF EK-704 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020123 https://doi.org/10.22427/NTP-DATA-DTXSID8020123
ERPathway2016 ERPathway2016_995 Azobenzene 103-33-3 DTXSID8020123 ER Pathway Model, Agonist Model Score 0 Unitless C1=CC=C(C=C1)N=NC1=CC=CC=C1 Azobenzene 103-33-3|Azobenzene|1-16-00-00218|1,2-Diphenyldiazene|203-102-5|azobenceno|Azobenzeen|Azobenzide|Azobenzol|Azobisbenzene|Azodibenzene|Azodibenzeneazofume|Azofume|Benzene, azo-|Benzene, azobis-|Benzene, azodi|Benzeneazobenzene|Benzofume|BRN 0742609|Caswell No. 064|Diazene, 1,2-diphenyl-|Diazene, diphenyl-|Diazobenzene|Diphenyldiazene|Diphenyldiimide|EINECS 203-102-5|EPA Pesticide Chemical Code 007401|NCI-C02926|NSC 2102|PC 007401|PC Code 007401|Phenylazobenzene|trans-Azobenzene|UNII-F0U1H6UG5C|USAF EK-704 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020123 https://doi.org/10.22427/NTP-DATA-DTXSID8020123
ERPathway2016 ERPathway2016_995 Azobenzene 103-33-3 DTXSID8020123 ER Pathway Model, Antagonist Model Score 0 Unitless C1=CC=C(C=C1)N=NC1=CC=CC=C1 Azobenzene 103-33-3|Azobenzene|1-16-00-00218|1,2-Diphenyldiazene|203-102-5|azobenceno|Azobenzeen|Azobenzide|Azobenzol|Azobisbenzene|Azodibenzene|Azodibenzeneazofume|Azofume|Benzene, azo-|Benzene, azobis-|Benzene, azodi|Benzeneazobenzene|Benzofume|BRN 0742609|Caswell No. 064|Diazene, 1,2-diphenyl-|Diazene, diphenyl-|Diazobenzene|Diphenyldiazene|Diphenyldiimide|EINECS 203-102-5|EPA Pesticide Chemical Code 007401|NCI-C02926|NSC 2102|PC 007401|PC Code 007401|Phenylazobenzene|trans-Azobenzene|UNII-F0U1H6UG5C|USAF EK-704 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020123 https://doi.org/10.22427/NTP-DATA-DTXSID8020123
ERPathway2016 ERPathway2016_995 Azobenzene 103-33-3 DTXSID8020123 ER Pathway Model, Agonist Call Inactive Unitless C1=CC=C(C=C1)N=NC1=CC=CC=C1 Azobenzene 103-33-3|Azobenzene|1-16-00-00218|1,2-Diphenyldiazene|203-102-5|azobenceno|Azobenzeen|Azobenzide|Azobenzol|Azobisbenzene|Azodibenzene|Azodibenzeneazofume|Azofume|Benzene, azo-|Benzene, azobis-|Benzene, azodi|Benzeneazobenzene|Benzofume|BRN 0742609|Caswell No. 064|Diazene, 1,2-diphenyl-|Diazene, diphenyl-|Diazobenzene|Diphenyldiazene|Diphenyldiimide|EINECS 203-102-5|EPA Pesticide Chemical Code 007401|NCI-C02926|NSC 2102|PC 007401|PC Code 007401|Phenylazobenzene|trans-Azobenzene|UNII-F0U1H6UG5C|USAF EK-704 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020123 https://doi.org/10.22427/NTP-DATA-DTXSID8020123
ERPathway2016 ERPathway2016_995 Azobenzene 103-33-3 DTXSID8020123 ER Pathway Model, Antagonist Call Inactive Unitless C1=CC=C(C=C1)N=NC1=CC=CC=C1 Azobenzene 103-33-3|Azobenzene|1-16-00-00218|1,2-Diphenyldiazene|203-102-5|azobenceno|Azobenzeen|Azobenzide|Azobenzol|Azobisbenzene|Azodibenzene|Azodibenzeneazofume|Azofume|Benzene, azo-|Benzene, azobis-|Benzene, azodi|Benzeneazobenzene|Benzofume|BRN 0742609|Caswell No. 064|Diazene, 1,2-diphenyl-|Diazene, diphenyl-|Diazobenzene|Diphenyldiazene|Diphenyldiimide|EINECS 203-102-5|EPA Pesticide Chemical Code 007401|NCI-C02926|NSC 2102|PC 007401|PC Code 007401|Phenylazobenzene|trans-Azobenzene|UNII-F0U1H6UG5C|USAF EK-704 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020123 https://doi.org/10.22427/NTP-DATA-DTXSID8020123
ARPathway2016 ARPathway2016_724 Azodicarbonamide 123-77-3 DTXSID0024553 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC(=O)N=NC(N)=O Azodicarbonamide 123-77-3|Azodicarbonamide|1,1'-Azobis[formamide]|1,1'-Azobiscarbamide|1,1'-Azobisformamide|1,1'-Azodiformamide|1,2-Diazenedicarboxamide|ADK Stab OF 14|AZ Ultra 3050|Azobis CA|Azobis CA 110B|Azobis CA 51C|Azobiscarbonamide|Azobiscarboxamide|Azobisformamide|Azodicarbamide|Azodicarboamide|AZODICARBONAMID|Azodicarboxamide|Azodicarboxylic acid diamide|Azodiformamide|Azoform A|Azoplastone|C,C'-Azodi(formamid)|C,C'-azodi(formamida)|C,C'-Azodi(formamide)|Cellborn DW 6|Cellcom A|Cellmic 223|Cellmic C|Cellmic C 1|Cellmic C 121|Cellmic C 191|Cellmic C 2|Cellmic C 217|Cellmic C 22|Cellmic CA 500|Cellmic CAP|Cellmic CAP 500|Cellmic CE|Cellmic M 257|Cellmic MB 1031A|Cellmic MB 3013|Celogen 125FF|Celogen 725B|Celogen 765A|Celogen AZ|Celogen AZ 120|Celogen AZ 130|Celogen AZ 199|Celogen AZ 3990|Celosen AZ|Daiblow AC|Daiblow AC 2040L|delta(1,1')-Biurea|Diazenedicarboxamide|DIAZENEDICARBOXYAMIDE|EINECS 204-650-8|Emarcell BA|Excellar S 10|Fascom AZ 4ED|Ferrocell AZC 13R|Ficel AC|Ficel EP-A|Formamide, 1,1'-azobis-|Genitron AC|Genitron AC 2|Genitron AC 3|G|1006730-14-8|131715-26-9|183256-78-2|218433-14-8|221272-72-6|52737-71-0|62494-61-5|62494-62-6|62494-85-3|65098-86-4|65098-87-5|72514-45-5|73247-42-4|73905-77-8|81774-20-1|882523-85-5|89073-35-8|97707-96-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024553 https://doi.org/10.22427/NTP-DATA-DTXSID0024553
ARPathway2016 ARPathway2016_724 Azodicarbonamide 123-77-3 DTXSID0024553 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC(=O)N=NC(N)=O Azodicarbonamide 123-77-3|Azodicarbonamide|1,1'-Azobis[formamide]|1,1'-Azobiscarbamide|1,1'-Azobisformamide|1,1'-Azodiformamide|1,2-Diazenedicarboxamide|ADK Stab OF 14|AZ Ultra 3050|Azobis CA|Azobis CA 110B|Azobis CA 51C|Azobiscarbonamide|Azobiscarboxamide|Azobisformamide|Azodicarbamide|Azodicarboamide|AZODICARBONAMID|Azodicarboxamide|Azodicarboxylic acid diamide|Azodiformamide|Azoform A|Azoplastone|C,C'-Azodi(formamid)|C,C'-azodi(formamida)|C,C'-Azodi(formamide)|Cellborn DW 6|Cellcom A|Cellmic 223|Cellmic C|Cellmic C 1|Cellmic C 121|Cellmic C 191|Cellmic C 2|Cellmic C 217|Cellmic C 22|Cellmic CA 500|Cellmic CAP|Cellmic CAP 500|Cellmic CE|Cellmic M 257|Cellmic MB 1031A|Cellmic MB 3013|Celogen 125FF|Celogen 725B|Celogen 765A|Celogen AZ|Celogen AZ 120|Celogen AZ 130|Celogen AZ 199|Celogen AZ 3990|Celosen AZ|Daiblow AC|Daiblow AC 2040L|delta(1,1')-Biurea|Diazenedicarboxamide|DIAZENEDICARBOXYAMIDE|EINECS 204-650-8|Emarcell BA|Excellar S 10|Fascom AZ 4ED|Ferrocell AZC 13R|Ficel AC|Ficel EP-A|Formamide, 1,1'-azobis-|Genitron AC|Genitron AC 2|Genitron AC 3|G|1006730-14-8|131715-26-9|183256-78-2|218433-14-8|221272-72-6|52737-71-0|62494-61-5|62494-62-6|62494-85-3|65098-86-4|65098-87-5|72514-45-5|73247-42-4|73905-77-8|81774-20-1|882523-85-5|89073-35-8|97707-96-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024553 https://doi.org/10.22427/NTP-DATA-DTXSID0024553
ARPathway2016 ARPathway2016_724 Azodicarbonamide 123-77-3 DTXSID0024553 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC(=O)N=NC(N)=O Azodicarbonamide 123-77-3|Azodicarbonamide|1,1'-Azobis[formamide]|1,1'-Azobiscarbamide|1,1'-Azobisformamide|1,1'-Azodiformamide|1,2-Diazenedicarboxamide|ADK Stab OF 14|AZ Ultra 3050|Azobis CA|Azobis CA 110B|Azobis CA 51C|Azobiscarbonamide|Azobiscarboxamide|Azobisformamide|Azodicarbamide|Azodicarboamide|AZODICARBONAMID|Azodicarboxamide|Azodicarboxylic acid diamide|Azodiformamide|Azoform A|Azoplastone|C,C'-Azodi(formamid)|C,C'-azodi(formamida)|C,C'-Azodi(formamide)|Cellborn DW 6|Cellcom A|Cellmic 223|Cellmic C|Cellmic C 1|Cellmic C 121|Cellmic C 191|Cellmic C 2|Cellmic C 217|Cellmic C 22|Cellmic CA 500|Cellmic CAP|Cellmic CAP 500|Cellmic CE|Cellmic M 257|Cellmic MB 1031A|Cellmic MB 3013|Celogen 125FF|Celogen 725B|Celogen 765A|Celogen AZ|Celogen AZ 120|Celogen AZ 130|Celogen AZ 199|Celogen AZ 3990|Celosen AZ|Daiblow AC|Daiblow AC 2040L|delta(1,1')-Biurea|Diazenedicarboxamide|DIAZENEDICARBOXYAMIDE|EINECS 204-650-8|Emarcell BA|Excellar S 10|Fascom AZ 4ED|Ferrocell AZC 13R|Ficel AC|Ficel EP-A|Formamide, 1,1'-azobis-|Genitron AC|Genitron AC 2|Genitron AC 3|G|1006730-14-8|131715-26-9|183256-78-2|218433-14-8|221272-72-6|52737-71-0|62494-61-5|62494-62-6|62494-85-3|65098-86-4|65098-87-5|72514-45-5|73247-42-4|73905-77-8|81774-20-1|882523-85-5|89073-35-8|97707-96-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024553 https://doi.org/10.22427/NTP-DATA-DTXSID0024553
ARPathway2016 ARPathway2016_724 Azodicarbonamide 123-77-3 DTXSID0024553 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC(=O)N=NC(N)=O Azodicarbonamide 123-77-3|Azodicarbonamide|1,1'-Azobis[formamide]|1,1'-Azobiscarbamide|1,1'-Azobisformamide|1,1'-Azodiformamide|1,2-Diazenedicarboxamide|ADK Stab OF 14|AZ Ultra 3050|Azobis CA|Azobis CA 110B|Azobis CA 51C|Azobiscarbonamide|Azobiscarboxamide|Azobisformamide|Azodicarbamide|Azodicarboamide|AZODICARBONAMID|Azodicarboxamide|Azodicarboxylic acid diamide|Azodiformamide|Azoform A|Azoplastone|C,C'-Azodi(formamid)|C,C'-azodi(formamida)|C,C'-Azodi(formamide)|Cellborn DW 6|Cellcom A|Cellmic 223|Cellmic C|Cellmic C 1|Cellmic C 121|Cellmic C 191|Cellmic C 2|Cellmic C 217|Cellmic C 22|Cellmic CA 500|Cellmic CAP|Cellmic CAP 500|Cellmic CE|Cellmic M 257|Cellmic MB 1031A|Cellmic MB 3013|Celogen 125FF|Celogen 725B|Celogen 765A|Celogen AZ|Celogen AZ 120|Celogen AZ 130|Celogen AZ 199|Celogen AZ 3990|Celosen AZ|Daiblow AC|Daiblow AC 2040L|delta(1,1')-Biurea|Diazenedicarboxamide|DIAZENEDICARBOXYAMIDE|EINECS 204-650-8|Emarcell BA|Excellar S 10|Fascom AZ 4ED|Ferrocell AZC 13R|Ficel AC|Ficel EP-A|Formamide, 1,1'-azobis-|Genitron AC|Genitron AC 2|Genitron AC 3|G|1006730-14-8|131715-26-9|183256-78-2|218433-14-8|221272-72-6|52737-71-0|62494-61-5|62494-62-6|62494-85-3|65098-86-4|65098-87-5|72514-45-5|73247-42-4|73905-77-8|81774-20-1|882523-85-5|89073-35-8|97707-96-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024553 https://doi.org/10.22427/NTP-DATA-DTXSID0024553
ERPathway2016 ERPathway2016_778 Azodicarbonamide 123-77-3 DTXSID0024553 A10 ER Pathway Model, Agonist Model Score 0 Unitless NC(=O)N=NC(N)=O Azodicarbonamide 123-77-3|Azodicarbonamide|1,1'-Azobis[formamide]|1,1'-Azobiscarbamide|1,1'-Azobisformamide|1,1'-Azodiformamide|1,2-Diazenedicarboxamide|ADK Stab OF 14|AZ Ultra 3050|Azobis CA|Azobis CA 110B|Azobis CA 51C|Azobiscarbonamide|Azobiscarboxamide|Azobisformamide|Azodicarbamide|Azodicarboamide|AZODICARBONAMID|Azodicarboxamide|Azodicarboxylic acid diamide|Azodiformamide|Azoform A|Azoplastone|C,C'-Azodi(formamid)|C,C'-azodi(formamida)|C,C'-Azodi(formamide)|Cellborn DW 6|Cellcom A|Cellmic 223|Cellmic C|Cellmic C 1|Cellmic C 121|Cellmic C 191|Cellmic C 2|Cellmic C 217|Cellmic C 22|Cellmic CA 500|Cellmic CAP|Cellmic CAP 500|Cellmic CE|Cellmic M 257|Cellmic MB 1031A|Cellmic MB 3013|Celogen 125FF|Celogen 725B|Celogen 765A|Celogen AZ|Celogen AZ 120|Celogen AZ 130|Celogen AZ 199|Celogen AZ 3990|Celosen AZ|Daiblow AC|Daiblow AC 2040L|delta(1,1')-Biurea|Diazenedicarboxamide|DIAZENEDICARBOXYAMIDE|EINECS 204-650-8|Emarcell BA|Excellar S 10|Fascom AZ 4ED|Ferrocell AZC 13R|Ficel AC|Ficel EP-A|Formamide, 1,1'-azobis-|Genitron AC|Genitron AC 2|Genitron AC 3|G|1006730-14-8|131715-26-9|183256-78-2|218433-14-8|221272-72-6|52737-71-0|62494-61-5|62494-62-6|62494-85-3|65098-86-4|65098-87-5|72514-45-5|73247-42-4|73905-77-8|81774-20-1|882523-85-5|89073-35-8|97707-96-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024553 https://doi.org/10.22427/NTP-DATA-DTXSID0024553
ERPathway2016 ERPathway2016_778 Azodicarbonamide 123-77-3 DTXSID0024553 A10 ER Pathway Model, Antagonist Model Score 0 Unitless NC(=O)N=NC(N)=O Azodicarbonamide 123-77-3|Azodicarbonamide|1,1'-Azobis[formamide]|1,1'-Azobiscarbamide|1,1'-Azobisformamide|1,1'-Azodiformamide|1,2-Diazenedicarboxamide|ADK Stab OF 14|AZ Ultra 3050|Azobis CA|Azobis CA 110B|Azobis CA 51C|Azobiscarbonamide|Azobiscarboxamide|Azobisformamide|Azodicarbamide|Azodicarboamide|AZODICARBONAMID|Azodicarboxamide|Azodicarboxylic acid diamide|Azodiformamide|Azoform A|Azoplastone|C,C'-Azodi(formamid)|C,C'-azodi(formamida)|C,C'-Azodi(formamide)|Cellborn DW 6|Cellcom A|Cellmic 223|Cellmic C|Cellmic C 1|Cellmic C 121|Cellmic C 191|Cellmic C 2|Cellmic C 217|Cellmic C 22|Cellmic CA 500|Cellmic CAP|Cellmic CAP 500|Cellmic CE|Cellmic M 257|Cellmic MB 1031A|Cellmic MB 3013|Celogen 125FF|Celogen 725B|Celogen 765A|Celogen AZ|Celogen AZ 120|Celogen AZ 130|Celogen AZ 199|Celogen AZ 3990|Celosen AZ|Daiblow AC|Daiblow AC 2040L|delta(1,1')-Biurea|Diazenedicarboxamide|DIAZENEDICARBOXYAMIDE|EINECS 204-650-8|Emarcell BA|Excellar S 10|Fascom AZ 4ED|Ferrocell AZC 13R|Ficel AC|Ficel EP-A|Formamide, 1,1'-azobis-|Genitron AC|Genitron AC 2|Genitron AC 3|G|1006730-14-8|131715-26-9|183256-78-2|218433-14-8|221272-72-6|52737-71-0|62494-61-5|62494-62-6|62494-85-3|65098-86-4|65098-87-5|72514-45-5|73247-42-4|73905-77-8|81774-20-1|882523-85-5|89073-35-8|97707-96-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024553 https://doi.org/10.22427/NTP-DATA-DTXSID0024553
ERPathway2016 ERPathway2016_778 Azodicarbonamide 123-77-3 DTXSID0024553 A10 ER Pathway Model, Agonist Call Inactive Unitless NC(=O)N=NC(N)=O Azodicarbonamide 123-77-3|Azodicarbonamide|1,1'-Azobis[formamide]|1,1'-Azobiscarbamide|1,1'-Azobisformamide|1,1'-Azodiformamide|1,2-Diazenedicarboxamide|ADK Stab OF 14|AZ Ultra 3050|Azobis CA|Azobis CA 110B|Azobis CA 51C|Azobiscarbonamide|Azobiscarboxamide|Azobisformamide|Azodicarbamide|Azodicarboamide|AZODICARBONAMID|Azodicarboxamide|Azodicarboxylic acid diamide|Azodiformamide|Azoform A|Azoplastone|C,C'-Azodi(formamid)|C,C'-azodi(formamida)|C,C'-Azodi(formamide)|Cellborn DW 6|Cellcom A|Cellmic 223|Cellmic C|Cellmic C 1|Cellmic C 121|Cellmic C 191|Cellmic C 2|Cellmic C 217|Cellmic C 22|Cellmic CA 500|Cellmic CAP|Cellmic CAP 500|Cellmic CE|Cellmic M 257|Cellmic MB 1031A|Cellmic MB 3013|Celogen 125FF|Celogen 725B|Celogen 765A|Celogen AZ|Celogen AZ 120|Celogen AZ 130|Celogen AZ 199|Celogen AZ 3990|Celosen AZ|Daiblow AC|Daiblow AC 2040L|delta(1,1')-Biurea|Diazenedicarboxamide|DIAZENEDICARBOXYAMIDE|EINECS 204-650-8|Emarcell BA|Excellar S 10|Fascom AZ 4ED|Ferrocell AZC 13R|Ficel AC|Ficel EP-A|Formamide, 1,1'-azobis-|Genitron AC|Genitron AC 2|Genitron AC 3|G|1006730-14-8|131715-26-9|183256-78-2|218433-14-8|221272-72-6|52737-71-0|62494-61-5|62494-62-6|62494-85-3|65098-86-4|65098-87-5|72514-45-5|73247-42-4|73905-77-8|81774-20-1|882523-85-5|89073-35-8|97707-96-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024553 https://doi.org/10.22427/NTP-DATA-DTXSID0024553
ERPathway2016 ERPathway2016_778 Azodicarbonamide 123-77-3 DTXSID0024553 A10 ER Pathway Model, Antagonist Call Inactive Unitless NC(=O)N=NC(N)=O Azodicarbonamide 123-77-3|Azodicarbonamide|1,1'-Azobis[formamide]|1,1'-Azobiscarbamide|1,1'-Azobisformamide|1,1'-Azodiformamide|1,2-Diazenedicarboxamide|ADK Stab OF 14|AZ Ultra 3050|Azobis CA|Azobis CA 110B|Azobis CA 51C|Azobiscarbonamide|Azobiscarboxamide|Azobisformamide|Azodicarbamide|Azodicarboamide|AZODICARBONAMID|Azodicarboxamide|Azodicarboxylic acid diamide|Azodiformamide|Azoform A|Azoplastone|C,C'-Azodi(formamid)|C,C'-azodi(formamida)|C,C'-Azodi(formamide)|Cellborn DW 6|Cellcom A|Cellmic 223|Cellmic C|Cellmic C 1|Cellmic C 121|Cellmic C 191|Cellmic C 2|Cellmic C 217|Cellmic C 22|Cellmic CA 500|Cellmic CAP|Cellmic CAP 500|Cellmic CE|Cellmic M 257|Cellmic MB 1031A|Cellmic MB 3013|Celogen 125FF|Celogen 725B|Celogen 765A|Celogen AZ|Celogen AZ 120|Celogen AZ 130|Celogen AZ 199|Celogen AZ 3990|Celosen AZ|Daiblow AC|Daiblow AC 2040L|delta(1,1')-Biurea|Diazenedicarboxamide|DIAZENEDICARBOXYAMIDE|EINECS 204-650-8|Emarcell BA|Excellar S 10|Fascom AZ 4ED|Ferrocell AZC 13R|Ficel AC|Ficel EP-A|Formamide, 1,1'-azobis-|Genitron AC|Genitron AC 2|Genitron AC 3|G|1006730-14-8|131715-26-9|183256-78-2|218433-14-8|221272-72-6|52737-71-0|62494-61-5|62494-62-6|62494-85-3|65098-86-4|65098-87-5|72514-45-5|73247-42-4|73905-77-8|81774-20-1|882523-85-5|89073-35-8|97707-96-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024553 https://doi.org/10.22427/NTP-DATA-DTXSID0024553
ARPathway2016 ARPathway2016_54 Azoxystrobin 131860-33-8 DTXSID0032520 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist AC50 16.76343057 uM COC=C(C(=O)OC)C1=CC=CC=C1OC1=CC(OC2=CC=CC=C2C#N)=NC=N1 Azoxystrobin 131860-33-8|Azoxystrobin|(alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester|603-524-3|Amistar|Azoxystrobin (free acid)|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (E)-|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (aE)-|Dynasty|EC No.: 603-524-3|Heritage|Heritage 50DF|ICIA5504|Methyl (E)-2-(2-(6-(2-cyanopheoxy)pyrimidin-4-yloxy)phenyl)-3-methoxypropenoate|methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate|Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxypropenoate|Protege|Protege FL|Quadris|UNII-NYH7Y08IPM|215934-32-0|296237-03-1|918881-33-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032520
ARPathway2016 ARPathway2016_54 Azoxystrobin 131860-33-8 DTXSID0032520 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist ACC 12.66604076 uM COC=C(C(=O)OC)C1=CC=CC=C1OC1=CC(OC2=CC=CC=C2C#N)=NC=N1 Azoxystrobin 131860-33-8|Azoxystrobin|(alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester|603-524-3|Amistar|Azoxystrobin (free acid)|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (E)-|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (aE)-|Dynasty|EC No.: 603-524-3|Heritage|Heritage 50DF|ICIA5504|Methyl (E)-2-(2-(6-(2-cyanopheoxy)pyrimidin-4-yloxy)phenyl)-3-methoxypropenoate|methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate|Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxypropenoate|Protege|Protege FL|Quadris|UNII-NYH7Y08IPM|215934-32-0|296237-03-1|918881-33-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032520
ARPathway2016 ARPathway2016_54 Azoxystrobin 131860-33-8 DTXSID0032520 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0586 Unitless COC=C(C(=O)OC)C1=CC=CC=C1OC1=CC(OC2=CC=CC=C2C#N)=NC=N1 Azoxystrobin 131860-33-8|Azoxystrobin|(alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester|603-524-3|Amistar|Azoxystrobin (free acid)|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (E)-|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (aE)-|Dynasty|EC No.: 603-524-3|Heritage|Heritage 50DF|ICIA5504|Methyl (E)-2-(2-(6-(2-cyanopheoxy)pyrimidin-4-yloxy)phenyl)-3-methoxypropenoate|methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate|Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxypropenoate|Protege|Protege FL|Quadris|UNII-NYH7Y08IPM|215934-32-0|296237-03-1|918881-33-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032520
ARPathway2016 ARPathway2016_54 Azoxystrobin 131860-33-8 DTXSID0032520 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless COC=C(C(=O)OC)C1=CC=CC=C1OC1=CC(OC2=CC=CC=C2C#N)=NC=N1 Azoxystrobin 131860-33-8|Azoxystrobin|(alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester|603-524-3|Amistar|Azoxystrobin (free acid)|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (E)-|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (aE)-|Dynasty|EC No.: 603-524-3|Heritage|Heritage 50DF|ICIA5504|Methyl (E)-2-(2-(6-(2-cyanopheoxy)pyrimidin-4-yloxy)phenyl)-3-methoxypropenoate|methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate|Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxypropenoate|Protege|Protege FL|Quadris|UNII-NYH7Y08IPM|215934-32-0|296237-03-1|918881-33-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032520
ARPathway2016 ARPathway2016_54 Azoxystrobin 131860-33-8 DTXSID0032520 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist Call Active Unitless COC=C(C(=O)OC)C1=CC=CC=C1OC1=CC(OC2=CC=CC=C2C#N)=NC=N1 Azoxystrobin 131860-33-8|Azoxystrobin|(alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester|603-524-3|Amistar|Azoxystrobin (free acid)|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (E)-|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (aE)-|Dynasty|EC No.: 603-524-3|Heritage|Heritage 50DF|ICIA5504|Methyl (E)-2-(2-(6-(2-cyanopheoxy)pyrimidin-4-yloxy)phenyl)-3-methoxypropenoate|methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate|Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxypropenoate|Protege|Protege FL|Quadris|UNII-NYH7Y08IPM|215934-32-0|296237-03-1|918881-33-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032520
ARPathway2016 ARPathway2016_54 Azoxystrobin 131860-33-8 DTXSID0032520 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless COC=C(C(=O)OC)C1=CC=CC=C1OC1=CC(OC2=CC=CC=C2C#N)=NC=N1 Azoxystrobin 131860-33-8|Azoxystrobin|(alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester|603-524-3|Amistar|Azoxystrobin (free acid)|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (E)-|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (aE)-|Dynasty|EC No.: 603-524-3|Heritage|Heritage 50DF|ICIA5504|Methyl (E)-2-(2-(6-(2-cyanopheoxy)pyrimidin-4-yloxy)phenyl)-3-methoxypropenoate|methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate|Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxypropenoate|Protege|Protege FL|Quadris|UNII-NYH7Y08IPM|215934-32-0|296237-03-1|918881-33-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032520
ERPathway2016 ERPathway2016_501 Azoxystrobin 131860-33-8 DTXSID0032520 R8 ER Pathway Model, Agonist Model Score 0 Unitless COC=C(C(=O)OC)C1=CC=CC=C1OC1=CC(OC2=CC=CC=C2C#N)=NC=N1 Azoxystrobin 131860-33-8|Azoxystrobin|(alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester|603-524-3|Amistar|Azoxystrobin (free acid)|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (E)-|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (aE)-|Dynasty|EC No.: 603-524-3|Heritage|Heritage 50DF|ICIA5504|Methyl (E)-2-(2-(6-(2-cyanopheoxy)pyrimidin-4-yloxy)phenyl)-3-methoxypropenoate|methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate|Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxypropenoate|Protege|Protege FL|Quadris|UNII-NYH7Y08IPM|215934-32-0|296237-03-1|918881-33-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032520
ERPathway2016 ERPathway2016_501 Azoxystrobin 131860-33-8 DTXSID0032520 R8 ER Pathway Model, Antagonist Model Score 0 Unitless COC=C(C(=O)OC)C1=CC=CC=C1OC1=CC(OC2=CC=CC=C2C#N)=NC=N1 Azoxystrobin 131860-33-8|Azoxystrobin|(alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester|603-524-3|Amistar|Azoxystrobin (free acid)|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (E)-|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (aE)-|Dynasty|EC No.: 603-524-3|Heritage|Heritage 50DF|ICIA5504|Methyl (E)-2-(2-(6-(2-cyanopheoxy)pyrimidin-4-yloxy)phenyl)-3-methoxypropenoate|methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate|Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxypropenoate|Protege|Protege FL|Quadris|UNII-NYH7Y08IPM|215934-32-0|296237-03-1|918881-33-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032520
ERPathway2016 ERPathway2016_501 Azoxystrobin 131860-33-8 DTXSID0032520 R8 ER Pathway Model, Agonist Call Inactive Unitless COC=C(C(=O)OC)C1=CC=CC=C1OC1=CC(OC2=CC=CC=C2C#N)=NC=N1 Azoxystrobin 131860-33-8|Azoxystrobin|(alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester|603-524-3|Amistar|Azoxystrobin (free acid)|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (E)-|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (aE)-|Dynasty|EC No.: 603-524-3|Heritage|Heritage 50DF|ICIA5504|Methyl (E)-2-(2-(6-(2-cyanopheoxy)pyrimidin-4-yloxy)phenyl)-3-methoxypropenoate|methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate|Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxypropenoate|Protege|Protege FL|Quadris|UNII-NYH7Y08IPM|215934-32-0|296237-03-1|918881-33-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032520
ERPathway2016 ERPathway2016_501 Azoxystrobin 131860-33-8 DTXSID0032520 R8 ER Pathway Model, Antagonist Call Inactive Unitless COC=C(C(=O)OC)C1=CC=CC=C1OC1=CC(OC2=CC=CC=C2C#N)=NC=N1 Azoxystrobin 131860-33-8|Azoxystrobin|(alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester|603-524-3|Amistar|Azoxystrobin (free acid)|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (E)-|Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-a-(methoxymethylene)-, methyl ester, (aE)-|Dynasty|EC No.: 603-524-3|Heritage|Heritage 50DF|ICIA5504|Methyl (E)-2-(2-(6-(2-cyanopheoxy)pyrimidin-4-yloxy)phenyl)-3-methoxypropenoate|methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxyacrylate|Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl]-3-methoxypropenoate|Protege|Protege FL|Quadris|UNII-NYH7Y08IPM|215934-32-0|296237-03-1|918881-33-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032520
ARPathway2016 ARPathway2016_1039 Barium bis(2-ethylhexanoate) 2457-01-4 DTXSID8044888 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Ba++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O Barium bis(2-ethylhexanoate) 2457-01-4|Barium bis(2-ethylhexanoate)|Barium 2-ethylhexanoate|EINECS 219-535-8|Hexanoic acid, 2-ethyl-, barium salt|Hexanoic acid, 2-ethyl-, barium salt (2:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044888
ARPathway2016 ARPathway2016_1039 Barium bis(2-ethylhexanoate) 2457-01-4 DTXSID8044888 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Ba++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O Barium bis(2-ethylhexanoate) 2457-01-4|Barium bis(2-ethylhexanoate)|Barium 2-ethylhexanoate|EINECS 219-535-8|Hexanoic acid, 2-ethyl-, barium salt|Hexanoic acid, 2-ethyl-, barium salt (2:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044888
ARPathway2016 ARPathway2016_1039 Barium bis(2-ethylhexanoate) 2457-01-4 DTXSID8044888 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Ba++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O Barium bis(2-ethylhexanoate) 2457-01-4|Barium bis(2-ethylhexanoate)|Barium 2-ethylhexanoate|EINECS 219-535-8|Hexanoic acid, 2-ethyl-, barium salt|Hexanoic acid, 2-ethyl-, barium salt (2:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044888
ARPathway2016 ARPathway2016_1039 Barium bis(2-ethylhexanoate) 2457-01-4 DTXSID8044888 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Ba++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O Barium bis(2-ethylhexanoate) 2457-01-4|Barium bis(2-ethylhexanoate)|Barium 2-ethylhexanoate|EINECS 219-535-8|Hexanoic acid, 2-ethyl-, barium salt|Hexanoic acid, 2-ethyl-, barium salt (2:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044888
ERPathway2016 ERPathway2016_22 Barium bis(2-ethylhexanoate) 2457-01-4 DTXSID8044888 ER Pathway Model, Agonist AC50 11.3459017360509 uM [Ba++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O Barium bis(2-ethylhexanoate) 2457-01-4|Barium bis(2-ethylhexanoate)|Barium 2-ethylhexanoate|EINECS 219-535-8|Hexanoic acid, 2-ethyl-, barium salt|Hexanoic acid, 2-ethyl-, barium salt (2:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044888
ERPathway2016 ERPathway2016_22 Barium bis(2-ethylhexanoate) 2457-01-4 DTXSID8044888 ER Pathway Model, Agonist ACC 9.11368654096632 uM [Ba++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O Barium bis(2-ethylhexanoate) 2457-01-4|Barium bis(2-ethylhexanoate)|Barium 2-ethylhexanoate|EINECS 219-535-8|Hexanoic acid, 2-ethyl-, barium salt|Hexanoic acid, 2-ethyl-, barium salt (2:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044888
ERPathway2016 ERPathway2016_22 Barium bis(2-ethylhexanoate) 2457-01-4 DTXSID8044888 ER Pathway Model, Agonist Model Score 0.011 Unitless [Ba++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O Barium bis(2-ethylhexanoate) 2457-01-4|Barium bis(2-ethylhexanoate)|Barium 2-ethylhexanoate|EINECS 219-535-8|Hexanoic acid, 2-ethyl-, barium salt|Hexanoic acid, 2-ethyl-, barium salt (2:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044888
ERPathway2016 ERPathway2016_22 Barium bis(2-ethylhexanoate) 2457-01-4 DTXSID8044888 ER Pathway Model, Antagonist Model Score 0.032 Unitless [Ba++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O Barium bis(2-ethylhexanoate) 2457-01-4|Barium bis(2-ethylhexanoate)|Barium 2-ethylhexanoate|EINECS 219-535-8|Hexanoic acid, 2-ethyl-, barium salt|Hexanoic acid, 2-ethyl-, barium salt (2:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044888
ERPathway2016 ERPathway2016_22 Barium bis(2-ethylhexanoate) 2457-01-4 DTXSID8044888 ER Pathway Model, Agonist Call Active Unitless [Ba++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O Barium bis(2-ethylhexanoate) 2457-01-4|Barium bis(2-ethylhexanoate)|Barium 2-ethylhexanoate|EINECS 219-535-8|Hexanoic acid, 2-ethyl-, barium salt|Hexanoic acid, 2-ethyl-, barium salt (2:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044888
ERPathway2016 ERPathway2016_22 Barium bis(2-ethylhexanoate) 2457-01-4 DTXSID8044888 ER Pathway Model, Antagonist Call Inactive Unitless [Ba++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O Barium bis(2-ethylhexanoate) 2457-01-4|Barium bis(2-ethylhexanoate)|Barium 2-ethylhexanoate|EINECS 219-535-8|Hexanoic acid, 2-ethyl-, barium salt|Hexanoic acid, 2-ethyl-, barium salt (2:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044888
ARPathway2016 ARPathway2016_123 Basic Blue 7 2390-60-5 DTXSID5038888 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 1.26010531268686 uM [Cl-].CCNC1=CC=C(C(C2=CC=C(C=C2)N(CC)CC)=C2C=CC(C=C2)=[N+](CC)CC)C2=C1C=CC=C2 Basic Blue 7 2390-60-5|Basic Blue 7|(4-(4-(Diethylamino)-alpha-(4-(ethylamino)-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium chloride|Aizen Victoria Blue BO|Aizen Victoria Pure Blue BOH|Brilliant Victoria Blue RB|Brilliant Victoria Blue RS|C.I. Basic Blue 7 (8CI)|Calcozine Pure Blue BO|EINECS 219-232-0|Eljon Blue Toner|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)|Hidaco Victoria Blue BGO|Mitsui Victoria Pure Blue BO|No. 3772 Forthbrite Blue B|NSC 51534|Sicilian Blue X-2758|Silosuper Blue B|UNII-30F6F48H95|Victoria Blue BO|Victoria Blue BON 110|Victoria Blue FBO|Victoria Blue, Green Shade|Victoria Pure Blue|Victoria Pure Blue BGO|Victoria Pure Blue BO|Victoria Pure Blue BO CI 42595|Victoria Pure Blue BOC|Victoria Pure Blue BOD|Victoria Pure Blue BON|Victoria Pure Blue BOP|Victoria Pure Blue FBO|Vict|213762-89-1|336110-89-5|51938-69-3|54066-28-3|57657-49-5|72175-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038888
ARPathway2016 ARPathway2016_123 Basic Blue 7 2390-60-5 DTXSID5038888 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 0.566805136555992 uM [Cl-].CCNC1=CC=C(C(C2=CC=C(C=C2)N(CC)CC)=C2C=CC(C=C2)=[N+](CC)CC)C2=C1C=CC=C2 Basic Blue 7 2390-60-5|Basic Blue 7|(4-(4-(Diethylamino)-alpha-(4-(ethylamino)-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium chloride|Aizen Victoria Blue BO|Aizen Victoria Pure Blue BOH|Brilliant Victoria Blue RB|Brilliant Victoria Blue RS|C.I. Basic Blue 7 (8CI)|Calcozine Pure Blue BO|EINECS 219-232-0|Eljon Blue Toner|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)|Hidaco Victoria Blue BGO|Mitsui Victoria Pure Blue BO|No. 3772 Forthbrite Blue B|NSC 51534|Sicilian Blue X-2758|Silosuper Blue B|UNII-30F6F48H95|Victoria Blue BO|Victoria Blue BON 110|Victoria Blue FBO|Victoria Blue, Green Shade|Victoria Pure Blue|Victoria Pure Blue BGO|Victoria Pure Blue BO|Victoria Pure Blue BO CI 42595|Victoria Pure Blue BOC|Victoria Pure Blue BOD|Victoria Pure Blue BON|Victoria Pure Blue BOP|Victoria Pure Blue FBO|Vict|213762-89-1|336110-89-5|51938-69-3|54066-28-3|57657-49-5|72175-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038888
ARPathway2016 ARPathway2016_123 Basic Blue 7 2390-60-5 DTXSID5038888 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.814 Unitless [Cl-].CCNC1=CC=C(C(C2=CC=C(C=C2)N(CC)CC)=C2C=CC(C=C2)=[N+](CC)CC)C2=C1C=CC=C2 Basic Blue 7 2390-60-5|Basic Blue 7|(4-(4-(Diethylamino)-alpha-(4-(ethylamino)-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium chloride|Aizen Victoria Blue BO|Aizen Victoria Pure Blue BOH|Brilliant Victoria Blue RB|Brilliant Victoria Blue RS|C.I. Basic Blue 7 (8CI)|Calcozine Pure Blue BO|EINECS 219-232-0|Eljon Blue Toner|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)|Hidaco Victoria Blue BGO|Mitsui Victoria Pure Blue BO|No. 3772 Forthbrite Blue B|NSC 51534|Sicilian Blue X-2758|Silosuper Blue B|UNII-30F6F48H95|Victoria Blue BO|Victoria Blue BON 110|Victoria Blue FBO|Victoria Blue, Green Shade|Victoria Pure Blue|Victoria Pure Blue BGO|Victoria Pure Blue BO|Victoria Pure Blue BO CI 42595|Victoria Pure Blue BOC|Victoria Pure Blue BOD|Victoria Pure Blue BON|Victoria Pure Blue BOP|Victoria Pure Blue FBO|Vict|213762-89-1|336110-89-5|51938-69-3|54066-28-3|57657-49-5|72175-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038888
ARPathway2016 ARPathway2016_123 Basic Blue 7 2390-60-5 DTXSID5038888 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [Cl-].CCNC1=CC=C(C(C2=CC=C(C=C2)N(CC)CC)=C2C=CC(C=C2)=[N+](CC)CC)C2=C1C=CC=C2 Basic Blue 7 2390-60-5|Basic Blue 7|(4-(4-(Diethylamino)-alpha-(4-(ethylamino)-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium chloride|Aizen Victoria Blue BO|Aizen Victoria Pure Blue BOH|Brilliant Victoria Blue RB|Brilliant Victoria Blue RS|C.I. Basic Blue 7 (8CI)|Calcozine Pure Blue BO|EINECS 219-232-0|Eljon Blue Toner|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)|Hidaco Victoria Blue BGO|Mitsui Victoria Pure Blue BO|No. 3772 Forthbrite Blue B|NSC 51534|Sicilian Blue X-2758|Silosuper Blue B|UNII-30F6F48H95|Victoria Blue BO|Victoria Blue BON 110|Victoria Blue FBO|Victoria Blue, Green Shade|Victoria Pure Blue|Victoria Pure Blue BGO|Victoria Pure Blue BO|Victoria Pure Blue BO CI 42595|Victoria Pure Blue BOC|Victoria Pure Blue BOD|Victoria Pure Blue BON|Victoria Pure Blue BOP|Victoria Pure Blue FBO|Vict|213762-89-1|336110-89-5|51938-69-3|54066-28-3|57657-49-5|72175-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038888
ARPathway2016 ARPathway2016_123 Basic Blue 7 2390-60-5 DTXSID5038888 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Cl-].CCNC1=CC=C(C(C2=CC=C(C=C2)N(CC)CC)=C2C=CC(C=C2)=[N+](CC)CC)C2=C1C=CC=C2 Basic Blue 7 2390-60-5|Basic Blue 7|(4-(4-(Diethylamino)-alpha-(4-(ethylamino)-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium chloride|Aizen Victoria Blue BO|Aizen Victoria Pure Blue BOH|Brilliant Victoria Blue RB|Brilliant Victoria Blue RS|C.I. Basic Blue 7 (8CI)|Calcozine Pure Blue BO|EINECS 219-232-0|Eljon Blue Toner|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)|Hidaco Victoria Blue BGO|Mitsui Victoria Pure Blue BO|No. 3772 Forthbrite Blue B|NSC 51534|Sicilian Blue X-2758|Silosuper Blue B|UNII-30F6F48H95|Victoria Blue BO|Victoria Blue BON 110|Victoria Blue FBO|Victoria Blue, Green Shade|Victoria Pure Blue|Victoria Pure Blue BGO|Victoria Pure Blue BO|Victoria Pure Blue BO CI 42595|Victoria Pure Blue BOC|Victoria Pure Blue BOD|Victoria Pure Blue BON|Victoria Pure Blue BOP|Victoria Pure Blue FBO|Vict|213762-89-1|336110-89-5|51938-69-3|54066-28-3|57657-49-5|72175-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038888
ARPathway2016 ARPathway2016_123 Basic Blue 7 2390-60-5 DTXSID5038888 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].CCNC1=CC=C(C(C2=CC=C(C=C2)N(CC)CC)=C2C=CC(C=C2)=[N+](CC)CC)C2=C1C=CC=C2 Basic Blue 7 2390-60-5|Basic Blue 7|(4-(4-(Diethylamino)-alpha-(4-(ethylamino)-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium chloride|Aizen Victoria Blue BO|Aizen Victoria Pure Blue BOH|Brilliant Victoria Blue RB|Brilliant Victoria Blue RS|C.I. Basic Blue 7 (8CI)|Calcozine Pure Blue BO|EINECS 219-232-0|Eljon Blue Toner|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)|Hidaco Victoria Blue BGO|Mitsui Victoria Pure Blue BO|No. 3772 Forthbrite Blue B|NSC 51534|Sicilian Blue X-2758|Silosuper Blue B|UNII-30F6F48H95|Victoria Blue BO|Victoria Blue BON 110|Victoria Blue FBO|Victoria Blue, Green Shade|Victoria Pure Blue|Victoria Pure Blue BGO|Victoria Pure Blue BO|Victoria Pure Blue BO CI 42595|Victoria Pure Blue BOC|Victoria Pure Blue BOD|Victoria Pure Blue BON|Victoria Pure Blue BOP|Victoria Pure Blue FBO|Vict|213762-89-1|336110-89-5|51938-69-3|54066-28-3|57657-49-5|72175-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038888
ERPathway2016 ERPathway2016_121 Basic Blue 7 2390-60-5 DTXSID5038888 ER Pathway Model, Agonist AC50 0.266010055743071 uM [Cl-].CCNC1=CC=C(C(C2=CC=C(C=C2)N(CC)CC)=C2C=CC(C=C2)=[N+](CC)CC)C2=C1C=CC=C2 Basic Blue 7 2390-60-5|Basic Blue 7|(4-(4-(Diethylamino)-alpha-(4-(ethylamino)-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium chloride|Aizen Victoria Blue BO|Aizen Victoria Pure Blue BOH|Brilliant Victoria Blue RB|Brilliant Victoria Blue RS|C.I. Basic Blue 7 (8CI)|Calcozine Pure Blue BO|EINECS 219-232-0|Eljon Blue Toner|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)|Hidaco Victoria Blue BGO|Mitsui Victoria Pure Blue BO|No. 3772 Forthbrite Blue B|NSC 51534|Sicilian Blue X-2758|Silosuper Blue B|UNII-30F6F48H95|Victoria Blue BO|Victoria Blue BON 110|Victoria Blue FBO|Victoria Blue, Green Shade|Victoria Pure Blue|Victoria Pure Blue BGO|Victoria Pure Blue BO|Victoria Pure Blue BO CI 42595|Victoria Pure Blue BOC|Victoria Pure Blue BOD|Victoria Pure Blue BON|Victoria Pure Blue BOP|Victoria Pure Blue FBO|Vict|213762-89-1|336110-89-5|51938-69-3|54066-28-3|57657-49-5|72175-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038888
ERPathway2016 ERPathway2016_121 Basic Blue 7 2390-60-5 DTXSID5038888 ER Pathway Model, Agonist ACC 0.24327611920787 uM [Cl-].CCNC1=CC=C(C(C2=CC=C(C=C2)N(CC)CC)=C2C=CC(C=C2)=[N+](CC)CC)C2=C1C=CC=C2 Basic Blue 7 2390-60-5|Basic Blue 7|(4-(4-(Diethylamino)-alpha-(4-(ethylamino)-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium chloride|Aizen Victoria Blue BO|Aizen Victoria Pure Blue BOH|Brilliant Victoria Blue RB|Brilliant Victoria Blue RS|C.I. Basic Blue 7 (8CI)|Calcozine Pure Blue BO|EINECS 219-232-0|Eljon Blue Toner|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)|Hidaco Victoria Blue BGO|Mitsui Victoria Pure Blue BO|No. 3772 Forthbrite Blue B|NSC 51534|Sicilian Blue X-2758|Silosuper Blue B|UNII-30F6F48H95|Victoria Blue BO|Victoria Blue BON 110|Victoria Blue FBO|Victoria Blue, Green Shade|Victoria Pure Blue|Victoria Pure Blue BGO|Victoria Pure Blue BO|Victoria Pure Blue BO CI 42595|Victoria Pure Blue BOC|Victoria Pure Blue BOD|Victoria Pure Blue BON|Victoria Pure Blue BOP|Victoria Pure Blue FBO|Vict|213762-89-1|336110-89-5|51938-69-3|54066-28-3|57657-49-5|72175-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038888
ERPathway2016 ERPathway2016_121 Basic Blue 7 2390-60-5 DTXSID5038888 ER Pathway Model, Agonist Model Score 0 Unitless [Cl-].CCNC1=CC=C(C(C2=CC=C(C=C2)N(CC)CC)=C2C=CC(C=C2)=[N+](CC)CC)C2=C1C=CC=C2 Basic Blue 7 2390-60-5|Basic Blue 7|(4-(4-(Diethylamino)-alpha-(4-(ethylamino)-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium chloride|Aizen Victoria Blue BO|Aizen Victoria Pure Blue BOH|Brilliant Victoria Blue RB|Brilliant Victoria Blue RS|C.I. Basic Blue 7 (8CI)|Calcozine Pure Blue BO|EINECS 219-232-0|Eljon Blue Toner|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)|Hidaco Victoria Blue BGO|Mitsui Victoria Pure Blue BO|No. 3772 Forthbrite Blue B|NSC 51534|Sicilian Blue X-2758|Silosuper Blue B|UNII-30F6F48H95|Victoria Blue BO|Victoria Blue BON 110|Victoria Blue FBO|Victoria Blue, Green Shade|Victoria Pure Blue|Victoria Pure Blue BGO|Victoria Pure Blue BO|Victoria Pure Blue BO CI 42595|Victoria Pure Blue BOC|Victoria Pure Blue BOD|Victoria Pure Blue BON|Victoria Pure Blue BOP|Victoria Pure Blue FBO|Vict|213762-89-1|336110-89-5|51938-69-3|54066-28-3|57657-49-5|72175-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038888
ERPathway2016 ERPathway2016_121 Basic Blue 7 2390-60-5 DTXSID5038888 ER Pathway Model, Antagonist Model Score 0.0669 Unitless [Cl-].CCNC1=CC=C(C(C2=CC=C(C=C2)N(CC)CC)=C2C=CC(C=C2)=[N+](CC)CC)C2=C1C=CC=C2 Basic Blue 7 2390-60-5|Basic Blue 7|(4-(4-(Diethylamino)-alpha-(4-(ethylamino)-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium chloride|Aizen Victoria Blue BO|Aizen Victoria Pure Blue BOH|Brilliant Victoria Blue RB|Brilliant Victoria Blue RS|C.I. Basic Blue 7 (8CI)|Calcozine Pure Blue BO|EINECS 219-232-0|Eljon Blue Toner|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)|Hidaco Victoria Blue BGO|Mitsui Victoria Pure Blue BO|No. 3772 Forthbrite Blue B|NSC 51534|Sicilian Blue X-2758|Silosuper Blue B|UNII-30F6F48H95|Victoria Blue BO|Victoria Blue BON 110|Victoria Blue FBO|Victoria Blue, Green Shade|Victoria Pure Blue|Victoria Pure Blue BGO|Victoria Pure Blue BO|Victoria Pure Blue BO CI 42595|Victoria Pure Blue BOC|Victoria Pure Blue BOD|Victoria Pure Blue BON|Victoria Pure Blue BOP|Victoria Pure Blue FBO|Vict|213762-89-1|336110-89-5|51938-69-3|54066-28-3|57657-49-5|72175-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038888
ERPathway2016 ERPathway2016_121 Basic Blue 7 2390-60-5 DTXSID5038888 ER Pathway Model, Agonist Call Active Unitless [Cl-].CCNC1=CC=C(C(C2=CC=C(C=C2)N(CC)CC)=C2C=CC(C=C2)=[N+](CC)CC)C2=C1C=CC=C2 Basic Blue 7 2390-60-5|Basic Blue 7|(4-(4-(Diethylamino)-alpha-(4-(ethylamino)-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium chloride|Aizen Victoria Blue BO|Aizen Victoria Pure Blue BOH|Brilliant Victoria Blue RB|Brilliant Victoria Blue RS|C.I. Basic Blue 7 (8CI)|Calcozine Pure Blue BO|EINECS 219-232-0|Eljon Blue Toner|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)|Hidaco Victoria Blue BGO|Mitsui Victoria Pure Blue BO|No. 3772 Forthbrite Blue B|NSC 51534|Sicilian Blue X-2758|Silosuper Blue B|UNII-30F6F48H95|Victoria Blue BO|Victoria Blue BON 110|Victoria Blue FBO|Victoria Blue, Green Shade|Victoria Pure Blue|Victoria Pure Blue BGO|Victoria Pure Blue BO|Victoria Pure Blue BO CI 42595|Victoria Pure Blue BOC|Victoria Pure Blue BOD|Victoria Pure Blue BON|Victoria Pure Blue BOP|Victoria Pure Blue FBO|Vict|213762-89-1|336110-89-5|51938-69-3|54066-28-3|57657-49-5|72175-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038888
ERPathway2016 ERPathway2016_121 Basic Blue 7 2390-60-5 DTXSID5038888 ER Pathway Model, Antagonist Call Inactive Unitless [Cl-].CCNC1=CC=C(C(C2=CC=C(C=C2)N(CC)CC)=C2C=CC(C=C2)=[N+](CC)CC)C2=C1C=CC=C2 Basic Blue 7 2390-60-5|Basic Blue 7|(4-(4-(Diethylamino)-alpha-(4-(ethylamino)-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium chloride|Aizen Victoria Blue BO|Aizen Victoria Pure Blue BOH|Brilliant Victoria Blue RB|Brilliant Victoria Blue RS|C.I. Basic Blue 7 (8CI)|Calcozine Pure Blue BO|EINECS 219-232-0|Eljon Blue Toner|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride|Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)|Hidaco Victoria Blue BGO|Mitsui Victoria Pure Blue BO|No. 3772 Forthbrite Blue B|NSC 51534|Sicilian Blue X-2758|Silosuper Blue B|UNII-30F6F48H95|Victoria Blue BO|Victoria Blue BON 110|Victoria Blue FBO|Victoria Blue, Green Shade|Victoria Pure Blue|Victoria Pure Blue BGO|Victoria Pure Blue BO|Victoria Pure Blue BO CI 42595|Victoria Pure Blue BOC|Victoria Pure Blue BOD|Victoria Pure Blue BON|Victoria Pure Blue BOP|Victoria Pure Blue FBO|Vict|213762-89-1|336110-89-5|51938-69-3|54066-28-3|57657-49-5|72175-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5038888
ARPathway2016 ARPathway2016_1013 Bendiocarb 22781-23-3 DTXSID9032327 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)OC1=CC=CC2=C1OC(C)(C)O2 Bendiocarb 22781-23-3|Bendiocarb|1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylaminocarboxylato)-|1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylcarbamato)-|2,2-Dimethyl-1,3-benzdioxol-4-yl N-methylcarbamate|2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate|2,2-dimethyl-4-(methylcarbamoyloxy)-1,3-benzodioxole|2,2-Dimethylbenzo-1,3-dioxol-4-yl methylcarbamate|2,3-Isopropylidene-dioxyphenyl methylcarbamate|2,3-Isopropylidenedioxyphenyl methylcarbamate|Bencarbate|Bendiocarbamate|Bendiocarbe|BRN 1315404|Carbamic acid, methyl-, 2,3-(isopropylidenedioxy)phenyl ester|EINECS 245-216-8|EPA Pesticide Chemical Code 105201|Ficam B|Ficam D|Ficam ULV|Ficam ulv' ul|Ficam W|Ficam Z|Fisons NC 6897|Methylcarbamic acid 2,3-(isopropylidenedioxy)phenyl ester|Multamat|Multimet|Phenol, 2,3-(isopropylidenedioxy)-, methylcarbamate|UNII-QFH0ZU0A5U|61533-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032327
ARPathway2016 ARPathway2016_1013 Bendiocarb 22781-23-3 DTXSID9032327 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CNC(=O)OC1=CC=CC2=C1OC(C)(C)O2 Bendiocarb 22781-23-3|Bendiocarb|1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylaminocarboxylato)-|1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylcarbamato)-|2,2-Dimethyl-1,3-benzdioxol-4-yl N-methylcarbamate|2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate|2,2-dimethyl-4-(methylcarbamoyloxy)-1,3-benzodioxole|2,2-Dimethylbenzo-1,3-dioxol-4-yl methylcarbamate|2,3-Isopropylidene-dioxyphenyl methylcarbamate|2,3-Isopropylidenedioxyphenyl methylcarbamate|Bencarbate|Bendiocarbamate|Bendiocarbe|BRN 1315404|Carbamic acid, methyl-, 2,3-(isopropylidenedioxy)phenyl ester|EINECS 245-216-8|EPA Pesticide Chemical Code 105201|Ficam B|Ficam D|Ficam ULV|Ficam ulv' ul|Ficam W|Ficam Z|Fisons NC 6897|Methylcarbamic acid 2,3-(isopropylidenedioxy)phenyl ester|Multamat|Multimet|Phenol, 2,3-(isopropylidenedioxy)-, methylcarbamate|UNII-QFH0ZU0A5U|61533-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032327
ARPathway2016 ARPathway2016_1013 Bendiocarb 22781-23-3 DTXSID9032327 0.0 AR Pathway Model, Agonist Call Inactive Unitless CNC(=O)OC1=CC=CC2=C1OC(C)(C)O2 Bendiocarb 22781-23-3|Bendiocarb|1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylaminocarboxylato)-|1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylcarbamato)-|2,2-Dimethyl-1,3-benzdioxol-4-yl N-methylcarbamate|2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate|2,2-dimethyl-4-(methylcarbamoyloxy)-1,3-benzodioxole|2,2-Dimethylbenzo-1,3-dioxol-4-yl methylcarbamate|2,3-Isopropylidene-dioxyphenyl methylcarbamate|2,3-Isopropylidenedioxyphenyl methylcarbamate|Bencarbate|Bendiocarbamate|Bendiocarbe|BRN 1315404|Carbamic acid, methyl-, 2,3-(isopropylidenedioxy)phenyl ester|EINECS 245-216-8|EPA Pesticide Chemical Code 105201|Ficam B|Ficam D|Ficam ULV|Ficam ulv' ul|Ficam W|Ficam Z|Fisons NC 6897|Methylcarbamic acid 2,3-(isopropylidenedioxy)phenyl ester|Multamat|Multimet|Phenol, 2,3-(isopropylidenedioxy)-, methylcarbamate|UNII-QFH0ZU0A5U|61533-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032327
ARPathway2016 ARPathway2016_1013 Bendiocarb 22781-23-3 DTXSID9032327 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CNC(=O)OC1=CC=CC2=C1OC(C)(C)O2 Bendiocarb 22781-23-3|Bendiocarb|1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylaminocarboxylato)-|1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylcarbamato)-|2,2-Dimethyl-1,3-benzdioxol-4-yl N-methylcarbamate|2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate|2,2-dimethyl-4-(methylcarbamoyloxy)-1,3-benzodioxole|2,2-Dimethylbenzo-1,3-dioxol-4-yl methylcarbamate|2,3-Isopropylidene-dioxyphenyl methylcarbamate|2,3-Isopropylidenedioxyphenyl methylcarbamate|Bencarbate|Bendiocarbamate|Bendiocarbe|BRN 1315404|Carbamic acid, methyl-, 2,3-(isopropylidenedioxy)phenyl ester|EINECS 245-216-8|EPA Pesticide Chemical Code 105201|Ficam B|Ficam D|Ficam ULV|Ficam ulv' ul|Ficam W|Ficam Z|Fisons NC 6897|Methylcarbamic acid 2,3-(isopropylidenedioxy)phenyl ester|Multamat|Multimet|Phenol, 2,3-(isopropylidenedioxy)-, methylcarbamate|UNII-QFH0ZU0A5U|61533-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032327
ERPathway2016 ERPathway2016_819 Bendiocarb 22781-23-3 DTXSID9032327 A13 ER Pathway Model, Agonist Model Score 0 Unitless CNC(=O)OC1=CC=CC2=C1OC(C)(C)O2 Bendiocarb 22781-23-3|Bendiocarb|1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylaminocarboxylato)-|1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylcarbamato)-|2,2-Dimethyl-1,3-benzdioxol-4-yl N-methylcarbamate|2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate|2,2-dimethyl-4-(methylcarbamoyloxy)-1,3-benzodioxole|2,2-Dimethylbenzo-1,3-dioxol-4-yl methylcarbamate|2,3-Isopropylidene-dioxyphenyl methylcarbamate|2,3-Isopropylidenedioxyphenyl methylcarbamate|Bencarbate|Bendiocarbamate|Bendiocarbe|BRN 1315404|Carbamic acid, methyl-, 2,3-(isopropylidenedioxy)phenyl ester|EINECS 245-216-8|EPA Pesticide Chemical Code 105201|Ficam B|Ficam D|Ficam ULV|Ficam ulv' ul|Ficam W|Ficam Z|Fisons NC 6897|Methylcarbamic acid 2,3-(isopropylidenedioxy)phenyl ester|Multamat|Multimet|Phenol, 2,3-(isopropylidenedioxy)-, methylcarbamate|UNII-QFH0ZU0A5U|61533-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032327
ERPathway2016 ERPathway2016_819 Bendiocarb 22781-23-3 DTXSID9032327 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)OC1=CC=CC2=C1OC(C)(C)O2 Bendiocarb 22781-23-3|Bendiocarb|1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylaminocarboxylato)-|1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylcarbamato)-|2,2-Dimethyl-1,3-benzdioxol-4-yl N-methylcarbamate|2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate|2,2-dimethyl-4-(methylcarbamoyloxy)-1,3-benzodioxole|2,2-Dimethylbenzo-1,3-dioxol-4-yl methylcarbamate|2,3-Isopropylidene-dioxyphenyl methylcarbamate|2,3-Isopropylidenedioxyphenyl methylcarbamate|Bencarbate|Bendiocarbamate|Bendiocarbe|BRN 1315404|Carbamic acid, methyl-, 2,3-(isopropylidenedioxy)phenyl ester|EINECS 245-216-8|EPA Pesticide Chemical Code 105201|Ficam B|Ficam D|Ficam ULV|Ficam ulv' ul|Ficam W|Ficam Z|Fisons NC 6897|Methylcarbamic acid 2,3-(isopropylidenedioxy)phenyl ester|Multamat|Multimet|Phenol, 2,3-(isopropylidenedioxy)-, methylcarbamate|UNII-QFH0ZU0A5U|61533-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032327
ERPathway2016 ERPathway2016_819 Bendiocarb 22781-23-3 DTXSID9032327 A13 ER Pathway Model, Agonist Call Inactive Unitless CNC(=O)OC1=CC=CC2=C1OC(C)(C)O2 Bendiocarb 22781-23-3|Bendiocarb|1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylaminocarboxylato)-|1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylcarbamato)-|2,2-Dimethyl-1,3-benzdioxol-4-yl N-methylcarbamate|2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate|2,2-dimethyl-4-(methylcarbamoyloxy)-1,3-benzodioxole|2,2-Dimethylbenzo-1,3-dioxol-4-yl methylcarbamate|2,3-Isopropylidene-dioxyphenyl methylcarbamate|2,3-Isopropylidenedioxyphenyl methylcarbamate|Bencarbate|Bendiocarbamate|Bendiocarbe|BRN 1315404|Carbamic acid, methyl-, 2,3-(isopropylidenedioxy)phenyl ester|EINECS 245-216-8|EPA Pesticide Chemical Code 105201|Ficam B|Ficam D|Ficam ULV|Ficam ulv' ul|Ficam W|Ficam Z|Fisons NC 6897|Methylcarbamic acid 2,3-(isopropylidenedioxy)phenyl ester|Multamat|Multimet|Phenol, 2,3-(isopropylidenedioxy)-, methylcarbamate|UNII-QFH0ZU0A5U|61533-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032327
ERPathway2016 ERPathway2016_819 Bendiocarb 22781-23-3 DTXSID9032327 A13 ER Pathway Model, Antagonist Call Inactive Unitless CNC(=O)OC1=CC=CC2=C1OC(C)(C)O2 Bendiocarb 22781-23-3|Bendiocarb|1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylaminocarboxylato)-|1,3-Benzodioxole, 2,2-dimethyl-4-(N-methylcarbamato)-|2,2-Dimethyl-1,3-benzdioxol-4-yl N-methylcarbamate|2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate|2,2-dimethyl-4-(methylcarbamoyloxy)-1,3-benzodioxole|2,2-Dimethylbenzo-1,3-dioxol-4-yl methylcarbamate|2,3-Isopropylidene-dioxyphenyl methylcarbamate|2,3-Isopropylidenedioxyphenyl methylcarbamate|Bencarbate|Bendiocarbamate|Bendiocarbe|BRN 1315404|Carbamic acid, methyl-, 2,3-(isopropylidenedioxy)phenyl ester|EINECS 245-216-8|EPA Pesticide Chemical Code 105201|Ficam B|Ficam D|Ficam ULV|Ficam ulv' ul|Ficam W|Ficam Z|Fisons NC 6897|Methylcarbamic acid 2,3-(isopropylidenedioxy)phenyl ester|Multamat|Multimet|Phenol, 2,3-(isopropylidenedioxy)-, methylcarbamate|UNII-QFH0ZU0A5U|61533-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032327
ARPathway2016 ARPathway2016_955 Benfluralin 1861-40-1 DTXSID3023899 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCN(CC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Benfluralin 1861-40-1|Benfluralin|alpha,alpha,alpha-Trifluoro-2,6-dinitro-N,N-ethylbutyl-p-toluidine|Banafine|Benalan|Benefex|Benefin|Benephin|benfluraline|bethrodine|Binnell|Bonalan|BRN 2821329|Carpidor|Caswell No. 130|EC No.: 217-465-2|EINECS 217-465-2|EL-110|EPA Pesticide Chemical Code 084301|Flubalex|N-Butyl N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzeneamine|N-Butyl-2,6-dinitro-N-ethyl-4-trifluoromethylaniline|N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Butyl-N-ethyl-2,6-dinitro-4-trifluoromethylaniline|N-butyl-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|UNII-28224BUY6R|66152-77-0|87209-90-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023899
ARPathway2016 ARPathway2016_955 Benfluralin 1861-40-1 DTXSID3023899 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CCCCN(CC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Benfluralin 1861-40-1|Benfluralin|alpha,alpha,alpha-Trifluoro-2,6-dinitro-N,N-ethylbutyl-p-toluidine|Banafine|Benalan|Benefex|Benefin|Benephin|benfluraline|bethrodine|Binnell|Bonalan|BRN 2821329|Carpidor|Caswell No. 130|EC No.: 217-465-2|EINECS 217-465-2|EL-110|EPA Pesticide Chemical Code 084301|Flubalex|N-Butyl N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzeneamine|N-Butyl-2,6-dinitro-N-ethyl-4-trifluoromethylaniline|N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Butyl-N-ethyl-2,6-dinitro-4-trifluoromethylaniline|N-butyl-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|UNII-28224BUY6R|66152-77-0|87209-90-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023899
ARPathway2016 ARPathway2016_955 Benfluralin 1861-40-1 DTXSID3023899 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CCCCN(CC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Benfluralin 1861-40-1|Benfluralin|alpha,alpha,alpha-Trifluoro-2,6-dinitro-N,N-ethylbutyl-p-toluidine|Banafine|Benalan|Benefex|Benefin|Benephin|benfluraline|bethrodine|Binnell|Bonalan|BRN 2821329|Carpidor|Caswell No. 130|EC No.: 217-465-2|EINECS 217-465-2|EL-110|EPA Pesticide Chemical Code 084301|Flubalex|N-Butyl N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzeneamine|N-Butyl-2,6-dinitro-N-ethyl-4-trifluoromethylaniline|N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Butyl-N-ethyl-2,6-dinitro-4-trifluoromethylaniline|N-butyl-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|UNII-28224BUY6R|66152-77-0|87209-90-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023899
ARPathway2016 ARPathway2016_955 Benfluralin 1861-40-1 DTXSID3023899 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CCCCN(CC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Benfluralin 1861-40-1|Benfluralin|alpha,alpha,alpha-Trifluoro-2,6-dinitro-N,N-ethylbutyl-p-toluidine|Banafine|Benalan|Benefex|Benefin|Benephin|benfluraline|bethrodine|Binnell|Bonalan|BRN 2821329|Carpidor|Caswell No. 130|EC No.: 217-465-2|EINECS 217-465-2|EL-110|EPA Pesticide Chemical Code 084301|Flubalex|N-Butyl N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzeneamine|N-Butyl-2,6-dinitro-N-ethyl-4-trifluoromethylaniline|N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Butyl-N-ethyl-2,6-dinitro-4-trifluoromethylaniline|N-butyl-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|UNII-28224BUY6R|66152-77-0|87209-90-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023899
ERPathway2016 ERPathway2016_293 Benfluralin 1861-40-1 DTXSID3023899 ER Pathway Model, Antagonist AC50 18.687534358805 uM CCCCN(CC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Benfluralin 1861-40-1|Benfluralin|alpha,alpha,alpha-Trifluoro-2,6-dinitro-N,N-ethylbutyl-p-toluidine|Banafine|Benalan|Benefex|Benefin|Benephin|benfluraline|bethrodine|Binnell|Bonalan|BRN 2821329|Carpidor|Caswell No. 130|EC No.: 217-465-2|EINECS 217-465-2|EL-110|EPA Pesticide Chemical Code 084301|Flubalex|N-Butyl N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzeneamine|N-Butyl-2,6-dinitro-N-ethyl-4-trifluoromethylaniline|N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Butyl-N-ethyl-2,6-dinitro-4-trifluoromethylaniline|N-butyl-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|UNII-28224BUY6R|66152-77-0|87209-90-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023899
ERPathway2016 ERPathway2016_293 Benfluralin 1861-40-1 DTXSID3023899 ER Pathway Model, Antagonist ACC 14.3480517623362 uM CCCCN(CC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Benfluralin 1861-40-1|Benfluralin|alpha,alpha,alpha-Trifluoro-2,6-dinitro-N,N-ethylbutyl-p-toluidine|Banafine|Benalan|Benefex|Benefin|Benephin|benfluraline|bethrodine|Binnell|Bonalan|BRN 2821329|Carpidor|Caswell No. 130|EC No.: 217-465-2|EINECS 217-465-2|EL-110|EPA Pesticide Chemical Code 084301|Flubalex|N-Butyl N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzeneamine|N-Butyl-2,6-dinitro-N-ethyl-4-trifluoromethylaniline|N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Butyl-N-ethyl-2,6-dinitro-4-trifluoromethylaniline|N-butyl-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|UNII-28224BUY6R|66152-77-0|87209-90-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023899
ERPathway2016 ERPathway2016_293 Benfluralin 1861-40-1 DTXSID3023899 ER Pathway Model, Agonist Model Score 0.0398 Unitless CCCCN(CC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Benfluralin 1861-40-1|Benfluralin|alpha,alpha,alpha-Trifluoro-2,6-dinitro-N,N-ethylbutyl-p-toluidine|Banafine|Benalan|Benefex|Benefin|Benephin|benfluraline|bethrodine|Binnell|Bonalan|BRN 2821329|Carpidor|Caswell No. 130|EC No.: 217-465-2|EINECS 217-465-2|EL-110|EPA Pesticide Chemical Code 084301|Flubalex|N-Butyl N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzeneamine|N-Butyl-2,6-dinitro-N-ethyl-4-trifluoromethylaniline|N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Butyl-N-ethyl-2,6-dinitro-4-trifluoromethylaniline|N-butyl-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|UNII-28224BUY6R|66152-77-0|87209-90-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023899
ERPathway2016 ERPathway2016_293 Benfluralin 1861-40-1 DTXSID3023899 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCN(CC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Benfluralin 1861-40-1|Benfluralin|alpha,alpha,alpha-Trifluoro-2,6-dinitro-N,N-ethylbutyl-p-toluidine|Banafine|Benalan|Benefex|Benefin|Benephin|benfluraline|bethrodine|Binnell|Bonalan|BRN 2821329|Carpidor|Caswell No. 130|EC No.: 217-465-2|EINECS 217-465-2|EL-110|EPA Pesticide Chemical Code 084301|Flubalex|N-Butyl N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzeneamine|N-Butyl-2,6-dinitro-N-ethyl-4-trifluoromethylaniline|N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Butyl-N-ethyl-2,6-dinitro-4-trifluoromethylaniline|N-butyl-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|UNII-28224BUY6R|66152-77-0|87209-90-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023899
ERPathway2016 ERPathway2016_293 Benfluralin 1861-40-1 DTXSID3023899 ER Pathway Model, Agonist Call Inactive Unitless CCCCN(CC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Benfluralin 1861-40-1|Benfluralin|alpha,alpha,alpha-Trifluoro-2,6-dinitro-N,N-ethylbutyl-p-toluidine|Banafine|Benalan|Benefex|Benefin|Benephin|benfluraline|bethrodine|Binnell|Bonalan|BRN 2821329|Carpidor|Caswell No. 130|EC No.: 217-465-2|EINECS 217-465-2|EL-110|EPA Pesticide Chemical Code 084301|Flubalex|N-Butyl N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzeneamine|N-Butyl-2,6-dinitro-N-ethyl-4-trifluoromethylaniline|N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Butyl-N-ethyl-2,6-dinitro-4-trifluoromethylaniline|N-butyl-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|UNII-28224BUY6R|66152-77-0|87209-90-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023899
ERPathway2016 ERPathway2016_293 Benfluralin 1861-40-1 DTXSID3023899 ER Pathway Model, Antagonist Call Active Unitless CCCCN(CC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Benfluralin 1861-40-1|Benfluralin|alpha,alpha,alpha-Trifluoro-2,6-dinitro-N,N-ethylbutyl-p-toluidine|Banafine|Benalan|Benefex|Benefin|Benephin|benfluraline|bethrodine|Binnell|Bonalan|BRN 2821329|Carpidor|Caswell No. 130|EC No.: 217-465-2|EINECS 217-465-2|EL-110|EPA Pesticide Chemical Code 084301|Flubalex|N-Butyl N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzeneamine|N-Butyl-2,6-dinitro-N-ethyl-4-trifluoromethylaniline|N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Butyl-N-ethyl-2,6-dinitro-4-trifluoromethylaniline|N-butyl-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|UNII-28224BUY6R|66152-77-0|87209-90-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023899
ARPathway2016 ARPathway2016_889 Benodanil 15310-01-7 DTXSID7041623 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless IC1=C(C=CC=C1)C(=O)NC1=CC=CC=C1 Benodanil 15310-01-7|Benodanil|2-Iodo-N-phenylbenzamide|2-Iodobenzanilide|2-Iodobenzoic acid anilide|3-12-00-00506|BAS 3170F|BAS-3170|Benzamide, 2-iodo-N-phenyl-|BRN 2725018|Calirus|EINECS 239-352-7|NSC 100499|UNII-993ANP6B3R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041623
ARPathway2016 ARPathway2016_889 Benodanil 15310-01-7 DTXSID7041623 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless IC1=C(C=CC=C1)C(=O)NC1=CC=CC=C1 Benodanil 15310-01-7|Benodanil|2-Iodo-N-phenylbenzamide|2-Iodobenzanilide|2-Iodobenzoic acid anilide|3-12-00-00506|BAS 3170F|BAS-3170|Benzamide, 2-iodo-N-phenyl-|BRN 2725018|Calirus|EINECS 239-352-7|NSC 100499|UNII-993ANP6B3R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041623
ARPathway2016 ARPathway2016_889 Benodanil 15310-01-7 DTXSID7041623 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless IC1=C(C=CC=C1)C(=O)NC1=CC=CC=C1 Benodanil 15310-01-7|Benodanil|2-Iodo-N-phenylbenzamide|2-Iodobenzanilide|2-Iodobenzoic acid anilide|3-12-00-00506|BAS 3170F|BAS-3170|Benzamide, 2-iodo-N-phenyl-|BRN 2725018|Calirus|EINECS 239-352-7|NSC 100499|UNII-993ANP6B3R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041623
ARPathway2016 ARPathway2016_889 Benodanil 15310-01-7 DTXSID7041623 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless IC1=C(C=CC=C1)C(=O)NC1=CC=CC=C1 Benodanil 15310-01-7|Benodanil|2-Iodo-N-phenylbenzamide|2-Iodobenzanilide|2-Iodobenzoic acid anilide|3-12-00-00506|BAS 3170F|BAS-3170|Benzamide, 2-iodo-N-phenyl-|BRN 2725018|Calirus|EINECS 239-352-7|NSC 100499|UNII-993ANP6B3R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041623
ERPathway2016 ERPathway2016_831 Benodanil 15310-01-7 DTXSID7041623 ER Pathway Model, Agonist Model Score 0 Unitless IC1=C(C=CC=C1)C(=O)NC1=CC=CC=C1 Benodanil 15310-01-7|Benodanil|2-Iodo-N-phenylbenzamide|2-Iodobenzanilide|2-Iodobenzoic acid anilide|3-12-00-00506|BAS 3170F|BAS-3170|Benzamide, 2-iodo-N-phenyl-|BRN 2725018|Calirus|EINECS 239-352-7|NSC 100499|UNII-993ANP6B3R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041623
ERPathway2016 ERPathway2016_831 Benodanil 15310-01-7 DTXSID7041623 ER Pathway Model, Antagonist Model Score 0 Unitless IC1=C(C=CC=C1)C(=O)NC1=CC=CC=C1 Benodanil 15310-01-7|Benodanil|2-Iodo-N-phenylbenzamide|2-Iodobenzanilide|2-Iodobenzoic acid anilide|3-12-00-00506|BAS 3170F|BAS-3170|Benzamide, 2-iodo-N-phenyl-|BRN 2725018|Calirus|EINECS 239-352-7|NSC 100499|UNII-993ANP6B3R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041623
ERPathway2016 ERPathway2016_831 Benodanil 15310-01-7 DTXSID7041623 ER Pathway Model, Agonist Call Inactive Unitless IC1=C(C=CC=C1)C(=O)NC1=CC=CC=C1 Benodanil 15310-01-7|Benodanil|2-Iodo-N-phenylbenzamide|2-Iodobenzanilide|2-Iodobenzoic acid anilide|3-12-00-00506|BAS 3170F|BAS-3170|Benzamide, 2-iodo-N-phenyl-|BRN 2725018|Calirus|EINECS 239-352-7|NSC 100499|UNII-993ANP6B3R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041623
ERPathway2016 ERPathway2016_831 Benodanil 15310-01-7 DTXSID7041623 ER Pathway Model, Antagonist Call Inactive Unitless IC1=C(C=CC=C1)C(=O)NC1=CC=CC=C1 Benodanil 15310-01-7|Benodanil|2-Iodo-N-phenylbenzamide|2-Iodobenzanilide|2-Iodobenzoic acid anilide|3-12-00-00506|BAS 3170F|BAS-3170|Benzamide, 2-iodo-N-phenyl-|BRN 2725018|Calirus|EINECS 239-352-7|NSC 100499|UNII-993ANP6B3R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041623
ARPathway2016 ARPathway2016_944 Benomyl 17804-35-2 DTXSID5023900 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCNC(=O)N1C(NC(=O)OC)=NC2=C1C=CC=C2 Benomyl 17804-35-2|Benomyl|[1-[(Butylamino)carbonyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester|1-(Butylcarbamoyl)-2-benzimidazol-methylcarbamat|1-(Butylcarbamoyl)-2-benzimidazolecarbamic acid, methyl ester|1-(N-Butylcarbamoyl)-2-(methoxy-carboxamido)-benzimidazol|2-Benzimidazolecarbamic acid, 1-(butylcarbamoyl)-, methyl ester|5-25-10-00390|Agrocit|Arbortrine|Benlate|Benlate 50 W|Benlate 50W|Benomil|benomilo|Benomyl (Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate)|Benomyl 50W|Benomyl-Imex|BRN 0825455|Carbamic acid, (1-(butylamino)carbonyl)-1H-benzimidazol-2-yl), methyl ester|Carbamic acid, [1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester|Carbamic acid, N-[1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester|Caswell No. 075A|Chinoin-fundazol|Du Pont 1991|Dupont 1991|EINECS 241-775-7|EPA Pesticide Chemical Code 099101|Fundazol|Fundazol 50WP|Fungicide D-1991|Fungochrom|Kribenomyl|Methyl 1-(butylamino)carbonyl-1H-benzimidazol-2-ylcarbamate|Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate|Methyl 1-(butylca|1135441-25-6|39357-40-9|52683-56-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023900 https://doi.org/10.22427/NTP-DATA-DTXSID5023900
ARPathway2016 ARPathway2016_944 Benomyl 17804-35-2 DTXSID5023900 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCNC(=O)N1C(NC(=O)OC)=NC2=C1C=CC=C2 Benomyl 17804-35-2|Benomyl|[1-[(Butylamino)carbonyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester|1-(Butylcarbamoyl)-2-benzimidazol-methylcarbamat|1-(Butylcarbamoyl)-2-benzimidazolecarbamic acid, methyl ester|1-(N-Butylcarbamoyl)-2-(methoxy-carboxamido)-benzimidazol|2-Benzimidazolecarbamic acid, 1-(butylcarbamoyl)-, methyl ester|5-25-10-00390|Agrocit|Arbortrine|Benlate|Benlate 50 W|Benlate 50W|Benomil|benomilo|Benomyl (Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate)|Benomyl 50W|Benomyl-Imex|BRN 0825455|Carbamic acid, (1-(butylamino)carbonyl)-1H-benzimidazol-2-yl), methyl ester|Carbamic acid, [1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester|Carbamic acid, N-[1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester|Caswell No. 075A|Chinoin-fundazol|Du Pont 1991|Dupont 1991|EINECS 241-775-7|EPA Pesticide Chemical Code 099101|Fundazol|Fundazol 50WP|Fungicide D-1991|Fungochrom|Kribenomyl|Methyl 1-(butylamino)carbonyl-1H-benzimidazol-2-ylcarbamate|Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate|Methyl 1-(butylca|1135441-25-6|39357-40-9|52683-56-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023900 https://doi.org/10.22427/NTP-DATA-DTXSID5023900
ARPathway2016 ARPathway2016_944 Benomyl 17804-35-2 DTXSID5023900 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CCCCNC(=O)N1C(NC(=O)OC)=NC2=C1C=CC=C2 Benomyl 17804-35-2|Benomyl|[1-[(Butylamino)carbonyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester|1-(Butylcarbamoyl)-2-benzimidazol-methylcarbamat|1-(Butylcarbamoyl)-2-benzimidazolecarbamic acid, methyl ester|1-(N-Butylcarbamoyl)-2-(methoxy-carboxamido)-benzimidazol|2-Benzimidazolecarbamic acid, 1-(butylcarbamoyl)-, methyl ester|5-25-10-00390|Agrocit|Arbortrine|Benlate|Benlate 50 W|Benlate 50W|Benomil|benomilo|Benomyl (Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate)|Benomyl 50W|Benomyl-Imex|BRN 0825455|Carbamic acid, (1-(butylamino)carbonyl)-1H-benzimidazol-2-yl), methyl ester|Carbamic acid, [1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester|Carbamic acid, N-[1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester|Caswell No. 075A|Chinoin-fundazol|Du Pont 1991|Dupont 1991|EINECS 241-775-7|EPA Pesticide Chemical Code 099101|Fundazol|Fundazol 50WP|Fungicide D-1991|Fungochrom|Kribenomyl|Methyl 1-(butylamino)carbonyl-1H-benzimidazol-2-ylcarbamate|Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate|Methyl 1-(butylca|1135441-25-6|39357-40-9|52683-56-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023900 https://doi.org/10.22427/NTP-DATA-DTXSID5023900
ARPathway2016 ARPathway2016_944 Benomyl 17804-35-2 DTXSID5023900 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCNC(=O)N1C(NC(=O)OC)=NC2=C1C=CC=C2 Benomyl 17804-35-2|Benomyl|[1-[(Butylamino)carbonyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester|1-(Butylcarbamoyl)-2-benzimidazol-methylcarbamat|1-(Butylcarbamoyl)-2-benzimidazolecarbamic acid, methyl ester|1-(N-Butylcarbamoyl)-2-(methoxy-carboxamido)-benzimidazol|2-Benzimidazolecarbamic acid, 1-(butylcarbamoyl)-, methyl ester|5-25-10-00390|Agrocit|Arbortrine|Benlate|Benlate 50 W|Benlate 50W|Benomil|benomilo|Benomyl (Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate)|Benomyl 50W|Benomyl-Imex|BRN 0825455|Carbamic acid, (1-(butylamino)carbonyl)-1H-benzimidazol-2-yl), methyl ester|Carbamic acid, [1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester|Carbamic acid, N-[1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester|Caswell No. 075A|Chinoin-fundazol|Du Pont 1991|Dupont 1991|EINECS 241-775-7|EPA Pesticide Chemical Code 099101|Fundazol|Fundazol 50WP|Fungicide D-1991|Fungochrom|Kribenomyl|Methyl 1-(butylamino)carbonyl-1H-benzimidazol-2-ylcarbamate|Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate|Methyl 1-(butylca|1135441-25-6|39357-40-9|52683-56-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023900 https://doi.org/10.22427/NTP-DATA-DTXSID5023900
ERPathway2016 ERPathway2016_911 Benomyl 17804-35-2 DTXSID5023900 A15 ER Pathway Model, Agonist Model Score 0 Unitless CCCCNC(=O)N1C(NC(=O)OC)=NC2=C1C=CC=C2 Benomyl 17804-35-2|Benomyl|[1-[(Butylamino)carbonyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester|1-(Butylcarbamoyl)-2-benzimidazol-methylcarbamat|1-(Butylcarbamoyl)-2-benzimidazolecarbamic acid, methyl ester|1-(N-Butylcarbamoyl)-2-(methoxy-carboxamido)-benzimidazol|2-Benzimidazolecarbamic acid, 1-(butylcarbamoyl)-, methyl ester|5-25-10-00390|Agrocit|Arbortrine|Benlate|Benlate 50 W|Benlate 50W|Benomil|benomilo|Benomyl (Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate)|Benomyl 50W|Benomyl-Imex|BRN 0825455|Carbamic acid, (1-(butylamino)carbonyl)-1H-benzimidazol-2-yl), methyl ester|Carbamic acid, [1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester|Carbamic acid, N-[1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester|Caswell No. 075A|Chinoin-fundazol|Du Pont 1991|Dupont 1991|EINECS 241-775-7|EPA Pesticide Chemical Code 099101|Fundazol|Fundazol 50WP|Fungicide D-1991|Fungochrom|Kribenomyl|Methyl 1-(butylamino)carbonyl-1H-benzimidazol-2-ylcarbamate|Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate|Methyl 1-(butylca|1135441-25-6|39357-40-9|52683-56-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023900 https://doi.org/10.22427/NTP-DATA-DTXSID5023900
ERPathway2016 ERPathway2016_911 Benomyl 17804-35-2 DTXSID5023900 A15 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCNC(=O)N1C(NC(=O)OC)=NC2=C1C=CC=C2 Benomyl 17804-35-2|Benomyl|[1-[(Butylamino)carbonyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester|1-(Butylcarbamoyl)-2-benzimidazol-methylcarbamat|1-(Butylcarbamoyl)-2-benzimidazolecarbamic acid, methyl ester|1-(N-Butylcarbamoyl)-2-(methoxy-carboxamido)-benzimidazol|2-Benzimidazolecarbamic acid, 1-(butylcarbamoyl)-, methyl ester|5-25-10-00390|Agrocit|Arbortrine|Benlate|Benlate 50 W|Benlate 50W|Benomil|benomilo|Benomyl (Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate)|Benomyl 50W|Benomyl-Imex|BRN 0825455|Carbamic acid, (1-(butylamino)carbonyl)-1H-benzimidazol-2-yl), methyl ester|Carbamic acid, [1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester|Carbamic acid, N-[1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester|Caswell No. 075A|Chinoin-fundazol|Du Pont 1991|Dupont 1991|EINECS 241-775-7|EPA Pesticide Chemical Code 099101|Fundazol|Fundazol 50WP|Fungicide D-1991|Fungochrom|Kribenomyl|Methyl 1-(butylamino)carbonyl-1H-benzimidazol-2-ylcarbamate|Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate|Methyl 1-(butylca|1135441-25-6|39357-40-9|52683-56-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023900 https://doi.org/10.22427/NTP-DATA-DTXSID5023900
ERPathway2016 ERPathway2016_911 Benomyl 17804-35-2 DTXSID5023900 A15 ER Pathway Model, Agonist Call Inactive Unitless CCCCNC(=O)N1C(NC(=O)OC)=NC2=C1C=CC=C2 Benomyl 17804-35-2|Benomyl|[1-[(Butylamino)carbonyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester|1-(Butylcarbamoyl)-2-benzimidazol-methylcarbamat|1-(Butylcarbamoyl)-2-benzimidazolecarbamic acid, methyl ester|1-(N-Butylcarbamoyl)-2-(methoxy-carboxamido)-benzimidazol|2-Benzimidazolecarbamic acid, 1-(butylcarbamoyl)-, methyl ester|5-25-10-00390|Agrocit|Arbortrine|Benlate|Benlate 50 W|Benlate 50W|Benomil|benomilo|Benomyl (Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate)|Benomyl 50W|Benomyl-Imex|BRN 0825455|Carbamic acid, (1-(butylamino)carbonyl)-1H-benzimidazol-2-yl), methyl ester|Carbamic acid, [1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester|Carbamic acid, N-[1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester|Caswell No. 075A|Chinoin-fundazol|Du Pont 1991|Dupont 1991|EINECS 241-775-7|EPA Pesticide Chemical Code 099101|Fundazol|Fundazol 50WP|Fungicide D-1991|Fungochrom|Kribenomyl|Methyl 1-(butylamino)carbonyl-1H-benzimidazol-2-ylcarbamate|Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate|Methyl 1-(butylca|1135441-25-6|39357-40-9|52683-56-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023900 https://doi.org/10.22427/NTP-DATA-DTXSID5023900
ERPathway2016 ERPathway2016_911 Benomyl 17804-35-2 DTXSID5023900 A15 ER Pathway Model, Antagonist Call Inactive Unitless CCCCNC(=O)N1C(NC(=O)OC)=NC2=C1C=CC=C2 Benomyl 17804-35-2|Benomyl|[1-[(Butylamino)carbonyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester|1-(Butylcarbamoyl)-2-benzimidazol-methylcarbamat|1-(Butylcarbamoyl)-2-benzimidazolecarbamic acid, methyl ester|1-(N-Butylcarbamoyl)-2-(methoxy-carboxamido)-benzimidazol|2-Benzimidazolecarbamic acid, 1-(butylcarbamoyl)-, methyl ester|5-25-10-00390|Agrocit|Arbortrine|Benlate|Benlate 50 W|Benlate 50W|Benomil|benomilo|Benomyl (Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate)|Benomyl 50W|Benomyl-Imex|BRN 0825455|Carbamic acid, (1-(butylamino)carbonyl)-1H-benzimidazol-2-yl), methyl ester|Carbamic acid, [1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester|Carbamic acid, N-[1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]-, methyl ester|Caswell No. 075A|Chinoin-fundazol|Du Pont 1991|Dupont 1991|EINECS 241-775-7|EPA Pesticide Chemical Code 099101|Fundazol|Fundazol 50WP|Fungicide D-1991|Fungochrom|Kribenomyl|Methyl 1-(butylamino)carbonyl-1H-benzimidazol-2-ylcarbamate|Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate|Methyl 1-(butylca|1135441-25-6|39357-40-9|52683-56-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023900 https://doi.org/10.22427/NTP-DATA-DTXSID5023900
ARPathway2016 ARPathway2016_1804 Benoxacor 98730-04-2 DTXSID3029572 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless CC1COC2=C(C=CC=C2)N1C(=O)C(Cl)Cl Benoxacor 98730-04-2|Benoxacor|(+-)-2,2-Dichloro-1-(3,4-dihydro-3-methyl-2H-1,4-benzoxazin-4-yl)ethanone|(+-)-4-(Dichloroacetyl)-3,4-dihydro-3-methyl-2H-1,4-benzoxazine|2,2-Dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanone|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-, (+-)-|BRN 4190275|CGA 154 281|Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029572
ARPathway2016 ARPathway2016_1804 Benoxacor 98730-04-2 DTXSID3029572 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CC1COC2=C(C=CC=C2)N1C(=O)C(Cl)Cl Benoxacor 98730-04-2|Benoxacor|(+-)-2,2-Dichloro-1-(3,4-dihydro-3-methyl-2H-1,4-benzoxazin-4-yl)ethanone|(+-)-4-(Dichloroacetyl)-3,4-dihydro-3-methyl-2H-1,4-benzoxazine|2,2-Dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanone|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-, (+-)-|BRN 4190275|CGA 154 281|Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029572
ARPathway2016 ARPathway2016_1804 Benoxacor 98730-04-2 DTXSID3029572 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless CC1COC2=C(C=CC=C2)N1C(=O)C(Cl)Cl Benoxacor 98730-04-2|Benoxacor|(+-)-2,2-Dichloro-1-(3,4-dihydro-3-methyl-2H-1,4-benzoxazin-4-yl)ethanone|(+-)-4-(Dichloroacetyl)-3,4-dihydro-3-methyl-2H-1,4-benzoxazine|2,2-Dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanone|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-, (+-)-|BRN 4190275|CGA 154 281|Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029572
ARPathway2016 ARPathway2016_1804 Benoxacor 98730-04-2 DTXSID3029572 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CC1COC2=C(C=CC=C2)N1C(=O)C(Cl)Cl Benoxacor 98730-04-2|Benoxacor|(+-)-2,2-Dichloro-1-(3,4-dihydro-3-methyl-2H-1,4-benzoxazin-4-yl)ethanone|(+-)-4-(Dichloroacetyl)-3,4-dihydro-3-methyl-2H-1,4-benzoxazine|2,2-Dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanone|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-, (+-)-|BRN 4190275|CGA 154 281|Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029572
ERPathway2016 ERPathway2016_66 Benoxacor 98730-04-2 DTXSID3029572 R3 ER Pathway Model, Agonist AC50 0.584442900937313 uM CC1COC2=C(C=CC=C2)N1C(=O)C(Cl)Cl Benoxacor 98730-04-2|Benoxacor|(+-)-2,2-Dichloro-1-(3,4-dihydro-3-methyl-2H-1,4-benzoxazin-4-yl)ethanone|(+-)-4-(Dichloroacetyl)-3,4-dihydro-3-methyl-2H-1,4-benzoxazine|2,2-Dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanone|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-, (+-)-|BRN 4190275|CGA 154 281|Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029572
ERPathway2016 ERPathway2016_66 Benoxacor 98730-04-2 DTXSID3029572 R3 ER Pathway Model, Agonist ACC 0.260761836585459 uM CC1COC2=C(C=CC=C2)N1C(=O)C(Cl)Cl Benoxacor 98730-04-2|Benoxacor|(+-)-2,2-Dichloro-1-(3,4-dihydro-3-methyl-2H-1,4-benzoxazin-4-yl)ethanone|(+-)-4-(Dichloroacetyl)-3,4-dihydro-3-methyl-2H-1,4-benzoxazine|2,2-Dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanone|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-, (+-)-|BRN 4190275|CGA 154 281|Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029572
ERPathway2016 ERPathway2016_66 Benoxacor 98730-04-2 DTXSID3029572 R3 ER Pathway Model, Agonist Model Score 0 Unitless CC1COC2=C(C=CC=C2)N1C(=O)C(Cl)Cl Benoxacor 98730-04-2|Benoxacor|(+-)-2,2-Dichloro-1-(3,4-dihydro-3-methyl-2H-1,4-benzoxazin-4-yl)ethanone|(+-)-4-(Dichloroacetyl)-3,4-dihydro-3-methyl-2H-1,4-benzoxazine|2,2-Dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanone|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-, (+-)-|BRN 4190275|CGA 154 281|Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029572
ERPathway2016 ERPathway2016_66 Benoxacor 98730-04-2 DTXSID3029572 R3 ER Pathway Model, Antagonist Model Score 0.00117 Unitless CC1COC2=C(C=CC=C2)N1C(=O)C(Cl)Cl Benoxacor 98730-04-2|Benoxacor|(+-)-2,2-Dichloro-1-(3,4-dihydro-3-methyl-2H-1,4-benzoxazin-4-yl)ethanone|(+-)-4-(Dichloroacetyl)-3,4-dihydro-3-methyl-2H-1,4-benzoxazine|2,2-Dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanone|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-, (+-)-|BRN 4190275|CGA 154 281|Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029572
ERPathway2016 ERPathway2016_66 Benoxacor 98730-04-2 DTXSID3029572 R3 ER Pathway Model, Agonist Call Active Unitless CC1COC2=C(C=CC=C2)N1C(=O)C(Cl)Cl Benoxacor 98730-04-2|Benoxacor|(+-)-2,2-Dichloro-1-(3,4-dihydro-3-methyl-2H-1,4-benzoxazin-4-yl)ethanone|(+-)-4-(Dichloroacetyl)-3,4-dihydro-3-methyl-2H-1,4-benzoxazine|2,2-Dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanone|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-, (+-)-|BRN 4190275|CGA 154 281|Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029572
ERPathway2016 ERPathway2016_66 Benoxacor 98730-04-2 DTXSID3029572 R3 ER Pathway Model, Antagonist Call Inactive Unitless CC1COC2=C(C=CC=C2)N1C(=O)C(Cl)Cl Benoxacor 98730-04-2|Benoxacor|(+-)-2,2-Dichloro-1-(3,4-dihydro-3-methyl-2H-1,4-benzoxazin-4-yl)ethanone|(+-)-4-(Dichloroacetyl)-3,4-dihydro-3-methyl-2H-1,4-benzoxazine|2,2-Dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanone|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-, (+-)-|BRN 4190275|CGA 154 281|Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029572
ARPathway2016 ARPathway2016_266 Bensulide 741-58-2 DTXSID9032329 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist AC50 72.0172317130192 uM CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1 Bensulide 741-58-2|Bensulide|(N-(2-Mercaptoethyl)benzenesulfonamide)|Benzenesulfonamide, N-(2-mercaptoethyl)-, S-ester with O,O-diisopropylphosphorodithioate|Benzulfide|Betamec|Betasan|Betasan E|Betasan G|BRN 2164989|Caswell No. 357|EINECS 212-010-4|EPA Pesticide Chemical Code 009801|Exporsan|Kayaphenone|N-(2-(O,O-Diisopropyldithiophosphoryl)ethyl)benzenesulfonamide|N-(2-Ethylthio)benzene sulphonamide-S,O,O-diisopropylphosphorodithioate|N-(2-Mercaptoethyl)benzenesulfonamide S-(O,O-diisopropyl phosphorodithioate)|N-(2-Mercaptoethylbenzene)sulfonamide S-(O,O-diisopropylphosphorodithioate)|N-(beta-O,O-Diisopropyldithiophosphorylethyl)benzenesulfonamide|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)pheosphorodithioate|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)phosphorodithioate|O,O-Bis(1-methylethyl)-S-(2-((phenylsulfonyl)amino)ethyl) phosphorodithioate|O,O-Di-isopropyl S-2-phenylsulphonylaminoethyl phosphorodithioate|O,O-Diisopropyl 2-(benzenesulfonamido)ethyl dithiophosphate|O,O-Diisopropyl dithiophosphate S-ester|39291-71-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032329
ARPathway2016 ARPathway2016_266 Bensulide 741-58-2 DTXSID9032329 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist ACC 61.26056743 uM CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1 Bensulide 741-58-2|Bensulide|(N-(2-Mercaptoethyl)benzenesulfonamide)|Benzenesulfonamide, N-(2-mercaptoethyl)-, S-ester with O,O-diisopropylphosphorodithioate|Benzulfide|Betamec|Betasan|Betasan E|Betasan G|BRN 2164989|Caswell No. 357|EINECS 212-010-4|EPA Pesticide Chemical Code 009801|Exporsan|Kayaphenone|N-(2-(O,O-Diisopropyldithiophosphoryl)ethyl)benzenesulfonamide|N-(2-Ethylthio)benzene sulphonamide-S,O,O-diisopropylphosphorodithioate|N-(2-Mercaptoethyl)benzenesulfonamide S-(O,O-diisopropyl phosphorodithioate)|N-(2-Mercaptoethylbenzene)sulfonamide S-(O,O-diisopropylphosphorodithioate)|N-(beta-O,O-Diisopropyldithiophosphorylethyl)benzenesulfonamide|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)pheosphorodithioate|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)phosphorodithioate|O,O-Bis(1-methylethyl)-S-(2-((phenylsulfonyl)amino)ethyl) phosphorodithioate|O,O-Di-isopropyl S-2-phenylsulphonylaminoethyl phosphorodithioate|O,O-Diisopropyl 2-(benzenesulfonamido)ethyl dithiophosphate|O,O-Diisopropyl dithiophosphate S-ester|39291-71-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032329
ARPathway2016 ARPathway2016_266 Bensulide 741-58-2 DTXSID9032329 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Antagonist Model Score 0.0491 Unitless CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1 Bensulide 741-58-2|Bensulide|(N-(2-Mercaptoethyl)benzenesulfonamide)|Benzenesulfonamide, N-(2-mercaptoethyl)-, S-ester with O,O-diisopropylphosphorodithioate|Benzulfide|Betamec|Betasan|Betasan E|Betasan G|BRN 2164989|Caswell No. 357|EINECS 212-010-4|EPA Pesticide Chemical Code 009801|Exporsan|Kayaphenone|N-(2-(O,O-Diisopropyldithiophosphoryl)ethyl)benzenesulfonamide|N-(2-Ethylthio)benzene sulphonamide-S,O,O-diisopropylphosphorodithioate|N-(2-Mercaptoethyl)benzenesulfonamide S-(O,O-diisopropyl phosphorodithioate)|N-(2-Mercaptoethylbenzene)sulfonamide S-(O,O-diisopropylphosphorodithioate)|N-(beta-O,O-Diisopropyldithiophosphorylethyl)benzenesulfonamide|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)pheosphorodithioate|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)phosphorodithioate|O,O-Bis(1-methylethyl)-S-(2-((phenylsulfonyl)amino)ethyl) phosphorodithioate|O,O-Di-isopropyl S-2-phenylsulphonylaminoethyl phosphorodithioate|O,O-Diisopropyl 2-(benzenesulfonamido)ethyl dithiophosphate|O,O-Diisopropyl dithiophosphate S-ester|39291-71-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032329
ARPathway2016 ARPathway2016_266 Bensulide 741-58-2 DTXSID9032329 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1 Bensulide 741-58-2|Bensulide|(N-(2-Mercaptoethyl)benzenesulfonamide)|Benzenesulfonamide, N-(2-mercaptoethyl)-, S-ester with O,O-diisopropylphosphorodithioate|Benzulfide|Betamec|Betasan|Betasan E|Betasan G|BRN 2164989|Caswell No. 357|EINECS 212-010-4|EPA Pesticide Chemical Code 009801|Exporsan|Kayaphenone|N-(2-(O,O-Diisopropyldithiophosphoryl)ethyl)benzenesulfonamide|N-(2-Ethylthio)benzene sulphonamide-S,O,O-diisopropylphosphorodithioate|N-(2-Mercaptoethyl)benzenesulfonamide S-(O,O-diisopropyl phosphorodithioate)|N-(2-Mercaptoethylbenzene)sulfonamide S-(O,O-diisopropylphosphorodithioate)|N-(beta-O,O-Diisopropyldithiophosphorylethyl)benzenesulfonamide|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)pheosphorodithioate|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)phosphorodithioate|O,O-Bis(1-methylethyl)-S-(2-((phenylsulfonyl)amino)ethyl) phosphorodithioate|O,O-Di-isopropyl S-2-phenylsulphonylaminoethyl phosphorodithioate|O,O-Diisopropyl 2-(benzenesulfonamido)ethyl dithiophosphate|O,O-Diisopropyl dithiophosphate S-ester|39291-71-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032329
ARPathway2016 ARPathway2016_266 Bensulide 741-58-2 DTXSID9032329 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist Call Active Unitless CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1 Bensulide 741-58-2|Bensulide|(N-(2-Mercaptoethyl)benzenesulfonamide)|Benzenesulfonamide, N-(2-mercaptoethyl)-, S-ester with O,O-diisopropylphosphorodithioate|Benzulfide|Betamec|Betasan|Betasan E|Betasan G|BRN 2164989|Caswell No. 357|EINECS 212-010-4|EPA Pesticide Chemical Code 009801|Exporsan|Kayaphenone|N-(2-(O,O-Diisopropyldithiophosphoryl)ethyl)benzenesulfonamide|N-(2-Ethylthio)benzene sulphonamide-S,O,O-diisopropylphosphorodithioate|N-(2-Mercaptoethyl)benzenesulfonamide S-(O,O-diisopropyl phosphorodithioate)|N-(2-Mercaptoethylbenzene)sulfonamide S-(O,O-diisopropylphosphorodithioate)|N-(beta-O,O-Diisopropyldithiophosphorylethyl)benzenesulfonamide|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)pheosphorodithioate|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)phosphorodithioate|O,O-Bis(1-methylethyl)-S-(2-((phenylsulfonyl)amino)ethyl) phosphorodithioate|O,O-Di-isopropyl S-2-phenylsulphonylaminoethyl phosphorodithioate|O,O-Diisopropyl 2-(benzenesulfonamido)ethyl dithiophosphate|O,O-Diisopropyl dithiophosphate S-ester|39291-71-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032329
ARPathway2016 ARPathway2016_266 Bensulide 741-58-2 DTXSID9032329 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1 Bensulide 741-58-2|Bensulide|(N-(2-Mercaptoethyl)benzenesulfonamide)|Benzenesulfonamide, N-(2-mercaptoethyl)-, S-ester with O,O-diisopropylphosphorodithioate|Benzulfide|Betamec|Betasan|Betasan E|Betasan G|BRN 2164989|Caswell No. 357|EINECS 212-010-4|EPA Pesticide Chemical Code 009801|Exporsan|Kayaphenone|N-(2-(O,O-Diisopropyldithiophosphoryl)ethyl)benzenesulfonamide|N-(2-Ethylthio)benzene sulphonamide-S,O,O-diisopropylphosphorodithioate|N-(2-Mercaptoethyl)benzenesulfonamide S-(O,O-diisopropyl phosphorodithioate)|N-(2-Mercaptoethylbenzene)sulfonamide S-(O,O-diisopropylphosphorodithioate)|N-(beta-O,O-Diisopropyldithiophosphorylethyl)benzenesulfonamide|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)pheosphorodithioate|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)phosphorodithioate|O,O-Bis(1-methylethyl)-S-(2-((phenylsulfonyl)amino)ethyl) phosphorodithioate|O,O-Di-isopropyl S-2-phenylsulphonylaminoethyl phosphorodithioate|O,O-Diisopropyl 2-(benzenesulfonamido)ethyl dithiophosphate|O,O-Diisopropyl dithiophosphate S-ester|39291-71-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032329
ERPathway2016 ERPathway2016_84 Bensulide 741-58-2 DTXSID9032329 ER Pathway Model, Agonist AC50 15.8947497664488 uM CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1 Bensulide 741-58-2|Bensulide|(N-(2-Mercaptoethyl)benzenesulfonamide)|Benzenesulfonamide, N-(2-mercaptoethyl)-, S-ester with O,O-diisopropylphosphorodithioate|Benzulfide|Betamec|Betasan|Betasan E|Betasan G|BRN 2164989|Caswell No. 357|EINECS 212-010-4|EPA Pesticide Chemical Code 009801|Exporsan|Kayaphenone|N-(2-(O,O-Diisopropyldithiophosphoryl)ethyl)benzenesulfonamide|N-(2-Ethylthio)benzene sulphonamide-S,O,O-diisopropylphosphorodithioate|N-(2-Mercaptoethyl)benzenesulfonamide S-(O,O-diisopropyl phosphorodithioate)|N-(2-Mercaptoethylbenzene)sulfonamide S-(O,O-diisopropylphosphorodithioate)|N-(beta-O,O-Diisopropyldithiophosphorylethyl)benzenesulfonamide|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)pheosphorodithioate|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)phosphorodithioate|O,O-Bis(1-methylethyl)-S-(2-((phenylsulfonyl)amino)ethyl) phosphorodithioate|O,O-Di-isopropyl S-2-phenylsulphonylaminoethyl phosphorodithioate|O,O-Diisopropyl 2-(benzenesulfonamido)ethyl dithiophosphate|O,O-Diisopropyl dithiophosphate S-ester|39291-71-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032329
ERPathway2016 ERPathway2016_84 Bensulide 741-58-2 DTXSID9032329 ER Pathway Model, Agonist ACC 24.9255458991535 uM CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1 Bensulide 741-58-2|Bensulide|(N-(2-Mercaptoethyl)benzenesulfonamide)|Benzenesulfonamide, N-(2-mercaptoethyl)-, S-ester with O,O-diisopropylphosphorodithioate|Benzulfide|Betamec|Betasan|Betasan E|Betasan G|BRN 2164989|Caswell No. 357|EINECS 212-010-4|EPA Pesticide Chemical Code 009801|Exporsan|Kayaphenone|N-(2-(O,O-Diisopropyldithiophosphoryl)ethyl)benzenesulfonamide|N-(2-Ethylthio)benzene sulphonamide-S,O,O-diisopropylphosphorodithioate|N-(2-Mercaptoethyl)benzenesulfonamide S-(O,O-diisopropyl phosphorodithioate)|N-(2-Mercaptoethylbenzene)sulfonamide S-(O,O-diisopropylphosphorodithioate)|N-(beta-O,O-Diisopropyldithiophosphorylethyl)benzenesulfonamide|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)pheosphorodithioate|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)phosphorodithioate|O,O-Bis(1-methylethyl)-S-(2-((phenylsulfonyl)amino)ethyl) phosphorodithioate|O,O-Di-isopropyl S-2-phenylsulphonylaminoethyl phosphorodithioate|O,O-Diisopropyl 2-(benzenesulfonamido)ethyl dithiophosphate|O,O-Diisopropyl dithiophosphate S-ester|39291-71-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032329
ERPathway2016 ERPathway2016_84 Bensulide 741-58-2 DTXSID9032329 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1 Bensulide 741-58-2|Bensulide|(N-(2-Mercaptoethyl)benzenesulfonamide)|Benzenesulfonamide, N-(2-mercaptoethyl)-, S-ester with O,O-diisopropylphosphorodithioate|Benzulfide|Betamec|Betasan|Betasan E|Betasan G|BRN 2164989|Caswell No. 357|EINECS 212-010-4|EPA Pesticide Chemical Code 009801|Exporsan|Kayaphenone|N-(2-(O,O-Diisopropyldithiophosphoryl)ethyl)benzenesulfonamide|N-(2-Ethylthio)benzene sulphonamide-S,O,O-diisopropylphosphorodithioate|N-(2-Mercaptoethyl)benzenesulfonamide S-(O,O-diisopropyl phosphorodithioate)|N-(2-Mercaptoethylbenzene)sulfonamide S-(O,O-diisopropylphosphorodithioate)|N-(beta-O,O-Diisopropyldithiophosphorylethyl)benzenesulfonamide|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)pheosphorodithioate|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)phosphorodithioate|O,O-Bis(1-methylethyl)-S-(2-((phenylsulfonyl)amino)ethyl) phosphorodithioate|O,O-Di-isopropyl S-2-phenylsulphonylaminoethyl phosphorodithioate|O,O-Diisopropyl 2-(benzenesulfonamido)ethyl dithiophosphate|O,O-Diisopropyl dithiophosphate S-ester|39291-71-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032329
ERPathway2016 ERPathway2016_84 Bensulide 741-58-2 DTXSID9032329 ER Pathway Model, Antagonist Model Score 0.00571 Unitless CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1 Bensulide 741-58-2|Bensulide|(N-(2-Mercaptoethyl)benzenesulfonamide)|Benzenesulfonamide, N-(2-mercaptoethyl)-, S-ester with O,O-diisopropylphosphorodithioate|Benzulfide|Betamec|Betasan|Betasan E|Betasan G|BRN 2164989|Caswell No. 357|EINECS 212-010-4|EPA Pesticide Chemical Code 009801|Exporsan|Kayaphenone|N-(2-(O,O-Diisopropyldithiophosphoryl)ethyl)benzenesulfonamide|N-(2-Ethylthio)benzene sulphonamide-S,O,O-diisopropylphosphorodithioate|N-(2-Mercaptoethyl)benzenesulfonamide S-(O,O-diisopropyl phosphorodithioate)|N-(2-Mercaptoethylbenzene)sulfonamide S-(O,O-diisopropylphosphorodithioate)|N-(beta-O,O-Diisopropyldithiophosphorylethyl)benzenesulfonamide|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)pheosphorodithioate|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)phosphorodithioate|O,O-Bis(1-methylethyl)-S-(2-((phenylsulfonyl)amino)ethyl) phosphorodithioate|O,O-Di-isopropyl S-2-phenylsulphonylaminoethyl phosphorodithioate|O,O-Diisopropyl 2-(benzenesulfonamido)ethyl dithiophosphate|O,O-Diisopropyl dithiophosphate S-ester|39291-71-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032329
ERPathway2016 ERPathway2016_84 Bensulide 741-58-2 DTXSID9032329 ER Pathway Model, Agonist Call Active Unitless CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1 Bensulide 741-58-2|Bensulide|(N-(2-Mercaptoethyl)benzenesulfonamide)|Benzenesulfonamide, N-(2-mercaptoethyl)-, S-ester with O,O-diisopropylphosphorodithioate|Benzulfide|Betamec|Betasan|Betasan E|Betasan G|BRN 2164989|Caswell No. 357|EINECS 212-010-4|EPA Pesticide Chemical Code 009801|Exporsan|Kayaphenone|N-(2-(O,O-Diisopropyldithiophosphoryl)ethyl)benzenesulfonamide|N-(2-Ethylthio)benzene sulphonamide-S,O,O-diisopropylphosphorodithioate|N-(2-Mercaptoethyl)benzenesulfonamide S-(O,O-diisopropyl phosphorodithioate)|N-(2-Mercaptoethylbenzene)sulfonamide S-(O,O-diisopropylphosphorodithioate)|N-(beta-O,O-Diisopropyldithiophosphorylethyl)benzenesulfonamide|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)pheosphorodithioate|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)phosphorodithioate|O,O-Bis(1-methylethyl)-S-(2-((phenylsulfonyl)amino)ethyl) phosphorodithioate|O,O-Di-isopropyl S-2-phenylsulphonylaminoethyl phosphorodithioate|O,O-Diisopropyl 2-(benzenesulfonamido)ethyl dithiophosphate|O,O-Diisopropyl dithiophosphate S-ester|39291-71-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032329
ERPathway2016 ERPathway2016_84 Bensulide 741-58-2 DTXSID9032329 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1 Bensulide 741-58-2|Bensulide|(N-(2-Mercaptoethyl)benzenesulfonamide)|Benzenesulfonamide, N-(2-mercaptoethyl)-, S-ester with O,O-diisopropylphosphorodithioate|Benzulfide|Betamec|Betasan|Betasan E|Betasan G|BRN 2164989|Caswell No. 357|EINECS 212-010-4|EPA Pesticide Chemical Code 009801|Exporsan|Kayaphenone|N-(2-(O,O-Diisopropyldithiophosphoryl)ethyl)benzenesulfonamide|N-(2-Ethylthio)benzene sulphonamide-S,O,O-diisopropylphosphorodithioate|N-(2-Mercaptoethyl)benzenesulfonamide S-(O,O-diisopropyl phosphorodithioate)|N-(2-Mercaptoethylbenzene)sulfonamide S-(O,O-diisopropylphosphorodithioate)|N-(beta-O,O-Diisopropyldithiophosphorylethyl)benzenesulfonamide|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)pheosphorodithioate|O,O-Bis(1-methylethyl) S-(2-((phenylsulfonyl)amino)ethyl)phosphorodithioate|O,O-Bis(1-methylethyl)-S-(2-((phenylsulfonyl)amino)ethyl) phosphorodithioate|O,O-Di-isopropyl S-2-phenylsulphonylaminoethyl phosphorodithioate|O,O-Diisopropyl 2-(benzenesulfonamido)ethyl dithiophosphate|O,O-Diisopropyl dithiophosphate S-ester|39291-71-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032329
ARPathway2016 ARPathway2016_1046 Bentazone 25057-89-0 DTXSID0023901 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)N1C(=O)C2=C(NS1(=O)=O)C=CC=C2 Bentazone 25057-89-0|Bentazone|1H-2,1,3-Benzothiadiazin-4(3H)-one-2,2-dioxide, 3-isopropyl-|1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(1-methylethyl)-, 2,2-dioxide|1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-isopropyl-, 2,2-dioxide|246-585-8|3-(1-Methylethyl)-(1H)-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide|3-(1-Methylethyl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one S,S-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazine-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-benzo-2,1,3-thiadiazin-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazin-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazine-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxid|3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxide|3-Isopropyl-2,1,3-benzothiodiazin-4-one 2,2-dioxide|3-Isopropyl-4-oxo-2,1,3-benzothiadiazine 2,2-dioxide|3,4-Dihydro-3-isopropyl-1H-2,1,3-benzothiadiazin-4-one 2,2-dioxide|3,4-Dihydro-3-isop|12705-05-4|21723-40-0|58856-82-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023901
ARPathway2016 ARPathway2016_1046 Bentazone 25057-89-0 DTXSID0023901 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)N1C(=O)C2=C(NS1(=O)=O)C=CC=C2 Bentazone 25057-89-0|Bentazone|1H-2,1,3-Benzothiadiazin-4(3H)-one-2,2-dioxide, 3-isopropyl-|1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(1-methylethyl)-, 2,2-dioxide|1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-isopropyl-, 2,2-dioxide|246-585-8|3-(1-Methylethyl)-(1H)-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide|3-(1-Methylethyl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one S,S-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazine-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-benzo-2,1,3-thiadiazin-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazin-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazine-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxid|3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxide|3-Isopropyl-2,1,3-benzothiodiazin-4-one 2,2-dioxide|3-Isopropyl-4-oxo-2,1,3-benzothiadiazine 2,2-dioxide|3,4-Dihydro-3-isopropyl-1H-2,1,3-benzothiadiazin-4-one 2,2-dioxide|3,4-Dihydro-3-isop|12705-05-4|21723-40-0|58856-82-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023901
ARPathway2016 ARPathway2016_1046 Bentazone 25057-89-0 DTXSID0023901 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)N1C(=O)C2=C(NS1(=O)=O)C=CC=C2 Bentazone 25057-89-0|Bentazone|1H-2,1,3-Benzothiadiazin-4(3H)-one-2,2-dioxide, 3-isopropyl-|1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(1-methylethyl)-, 2,2-dioxide|1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-isopropyl-, 2,2-dioxide|246-585-8|3-(1-Methylethyl)-(1H)-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide|3-(1-Methylethyl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one S,S-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazine-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-benzo-2,1,3-thiadiazin-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazin-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazine-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxid|3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxide|3-Isopropyl-2,1,3-benzothiodiazin-4-one 2,2-dioxide|3-Isopropyl-4-oxo-2,1,3-benzothiadiazine 2,2-dioxide|3,4-Dihydro-3-isopropyl-1H-2,1,3-benzothiadiazin-4-one 2,2-dioxide|3,4-Dihydro-3-isop|12705-05-4|21723-40-0|58856-82-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023901
ARPathway2016 ARPathway2016_1046 Bentazone 25057-89-0 DTXSID0023901 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)N1C(=O)C2=C(NS1(=O)=O)C=CC=C2 Bentazone 25057-89-0|Bentazone|1H-2,1,3-Benzothiadiazin-4(3H)-one-2,2-dioxide, 3-isopropyl-|1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(1-methylethyl)-, 2,2-dioxide|1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-isopropyl-, 2,2-dioxide|246-585-8|3-(1-Methylethyl)-(1H)-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide|3-(1-Methylethyl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one S,S-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazine-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-benzo-2,1,3-thiadiazin-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazin-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazine-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxid|3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxide|3-Isopropyl-2,1,3-benzothiodiazin-4-one 2,2-dioxide|3-Isopropyl-4-oxo-2,1,3-benzothiadiazine 2,2-dioxide|3,4-Dihydro-3-isopropyl-1H-2,1,3-benzothiadiazin-4-one 2,2-dioxide|3,4-Dihydro-3-isop|12705-05-4|21723-40-0|58856-82-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023901
ERPathway2016 ERPathway2016_1400 Bentazone 25057-89-0 DTXSID0023901 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)N1C(=O)C2=C(NS1(=O)=O)C=CC=C2 Bentazone 25057-89-0|Bentazone|1H-2,1,3-Benzothiadiazin-4(3H)-one-2,2-dioxide, 3-isopropyl-|1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(1-methylethyl)-, 2,2-dioxide|1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-isopropyl-, 2,2-dioxide|246-585-8|3-(1-Methylethyl)-(1H)-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide|3-(1-Methylethyl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one S,S-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazine-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-benzo-2,1,3-thiadiazin-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazin-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazine-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxid|3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxide|3-Isopropyl-2,1,3-benzothiodiazin-4-one 2,2-dioxide|3-Isopropyl-4-oxo-2,1,3-benzothiadiazine 2,2-dioxide|3,4-Dihydro-3-isopropyl-1H-2,1,3-benzothiadiazin-4-one 2,2-dioxide|3,4-Dihydro-3-isop|12705-05-4|21723-40-0|58856-82-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023901
ERPathway2016 ERPathway2016_1400 Bentazone 25057-89-0 DTXSID0023901 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)N1C(=O)C2=C(NS1(=O)=O)C=CC=C2 Bentazone 25057-89-0|Bentazone|1H-2,1,3-Benzothiadiazin-4(3H)-one-2,2-dioxide, 3-isopropyl-|1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(1-methylethyl)-, 2,2-dioxide|1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-isopropyl-, 2,2-dioxide|246-585-8|3-(1-Methylethyl)-(1H)-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide|3-(1-Methylethyl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one S,S-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazine-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-benzo-2,1,3-thiadiazin-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazin-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazine-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxid|3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxide|3-Isopropyl-2,1,3-benzothiodiazin-4-one 2,2-dioxide|3-Isopropyl-4-oxo-2,1,3-benzothiadiazine 2,2-dioxide|3,4-Dihydro-3-isopropyl-1H-2,1,3-benzothiadiazin-4-one 2,2-dioxide|3,4-Dihydro-3-isop|12705-05-4|21723-40-0|58856-82-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023901
ERPathway2016 ERPathway2016_1400 Bentazone 25057-89-0 DTXSID0023901 ER Pathway Model, Agonist Call Inactive Unitless CC(C)N1C(=O)C2=C(NS1(=O)=O)C=CC=C2 Bentazone 25057-89-0|Bentazone|1H-2,1,3-Benzothiadiazin-4(3H)-one-2,2-dioxide, 3-isopropyl-|1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(1-methylethyl)-, 2,2-dioxide|1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-isopropyl-, 2,2-dioxide|246-585-8|3-(1-Methylethyl)-(1H)-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide|3-(1-Methylethyl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one S,S-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazine-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-benzo-2,1,3-thiadiazin-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazin-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazine-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxid|3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxide|3-Isopropyl-2,1,3-benzothiodiazin-4-one 2,2-dioxide|3-Isopropyl-4-oxo-2,1,3-benzothiadiazine 2,2-dioxide|3,4-Dihydro-3-isopropyl-1H-2,1,3-benzothiadiazin-4-one 2,2-dioxide|3,4-Dihydro-3-isop|12705-05-4|21723-40-0|58856-82-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023901
ERPathway2016 ERPathway2016_1400 Bentazone 25057-89-0 DTXSID0023901 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)N1C(=O)C2=C(NS1(=O)=O)C=CC=C2 Bentazone 25057-89-0|Bentazone|1H-2,1,3-Benzothiadiazin-4(3H)-one-2,2-dioxide, 3-isopropyl-|1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(1-methylethyl)-, 2,2-dioxide|1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-isopropyl-, 2,2-dioxide|246-585-8|3-(1-Methylethyl)-(1H)-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide|3-(1-Methylethyl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one S,S-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide|3-Isopropyl-1H-2,1,3-benzothiadiazine-4(3H)-one 2,2-dioxide|3-Isopropyl-1H-benzo-2,1,3-thiadiazin-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazin-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazine-4-one 2,2-dioxide|3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxid|3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxide|3-Isopropyl-2,1,3-benzothiodiazin-4-one 2,2-dioxide|3-Isopropyl-4-oxo-2,1,3-benzothiadiazine 2,2-dioxide|3,4-Dihydro-3-isopropyl-1H-2,1,3-benzothiadiazin-4-one 2,2-dioxide|3,4-Dihydro-3-isop|12705-05-4|21723-40-0|58856-82-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023901
ARPathway2016 ARPathway2016_1334 Benz(a)anthracene 56-55-3 DTXSID5023902 0.0 A9 AR Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=C(C=C1)C=C1C(C=CC3=C1C=CC=C3)=C2 Benz(a)anthracene 56-55-3|Benz(a)anthracene|1,2-Benz(a)anthracene|1,2-Benz[a]anthracene|1,2-Benzanthracene|1,2-Benzanthrazen|1,2-Benzanthrene|1,2-Benzoanthracene|2,3-Benzophenanthrene|2,3-Benzphenanthrene|BENZ(A)ANTHRACEN|Benz[a]anthracen|Benz[a]anthracene|Benzanthracene|Benzanthrene|Benzo(a)anthracene|Benzo(b)phenanthrene|Benzo[a]anthracene|benzo[a]antraceno|Benzo[b]phenanthrene|Benzoanthracene|EINECS 200-280-6|Naphthanthracene|NSC 30970|RCRA waste number U018|Tetraphene|UNII-C5PLF6152K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023902 https://doi.org/10.22427/NTP-DATA-DTXSID5023902
ARPathway2016 ARPathway2016_1334 Benz(a)anthracene 56-55-3 DTXSID5023902 0.0 A9 AR Pathway Model, Agonist Model Score 0 Unitless C1=CC2=C(C=C1)C=C1C(C=CC3=C1C=CC=C3)=C2 Benz(a)anthracene 56-55-3|Benz(a)anthracene|1,2-Benz(a)anthracene|1,2-Benz[a]anthracene|1,2-Benzanthracene|1,2-Benzanthrazen|1,2-Benzanthrene|1,2-Benzoanthracene|2,3-Benzophenanthrene|2,3-Benzphenanthrene|BENZ(A)ANTHRACEN|Benz[a]anthracen|Benz[a]anthracene|Benzanthracene|Benzanthrene|Benzo(a)anthracene|Benzo(b)phenanthrene|Benzo[a]anthracene|benzo[a]antraceno|Benzo[b]phenanthrene|Benzoanthracene|EINECS 200-280-6|Naphthanthracene|NSC 30970|RCRA waste number U018|Tetraphene|UNII-C5PLF6152K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023902 https://doi.org/10.22427/NTP-DATA-DTXSID5023902
ARPathway2016 ARPathway2016_1334 Benz(a)anthracene 56-55-3 DTXSID5023902 0.0 A9 AR Pathway Model, Agonist Call Inactive Unitless C1=CC2=C(C=C1)C=C1C(C=CC3=C1C=CC=C3)=C2 Benz(a)anthracene 56-55-3|Benz(a)anthracene|1,2-Benz(a)anthracene|1,2-Benz[a]anthracene|1,2-Benzanthracene|1,2-Benzanthrazen|1,2-Benzanthrene|1,2-Benzoanthracene|2,3-Benzophenanthrene|2,3-Benzphenanthrene|BENZ(A)ANTHRACEN|Benz[a]anthracen|Benz[a]anthracene|Benzanthracene|Benzanthrene|Benzo(a)anthracene|Benzo(b)phenanthrene|Benzo[a]anthracene|benzo[a]antraceno|Benzo[b]phenanthrene|Benzoanthracene|EINECS 200-280-6|Naphthanthracene|NSC 30970|RCRA waste number U018|Tetraphene|UNII-C5PLF6152K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023902 https://doi.org/10.22427/NTP-DATA-DTXSID5023902
ARPathway2016 ARPathway2016_1334 Benz(a)anthracene 56-55-3 DTXSID5023902 0.0 A9 AR Pathway Model, Antagonist Call Inactive Unitless C1=CC2=C(C=C1)C=C1C(C=CC3=C1C=CC=C3)=C2 Benz(a)anthracene 56-55-3|Benz(a)anthracene|1,2-Benz(a)anthracene|1,2-Benz[a]anthracene|1,2-Benzanthracene|1,2-Benzanthrazen|1,2-Benzanthrene|1,2-Benzoanthracene|2,3-Benzophenanthrene|2,3-Benzphenanthrene|BENZ(A)ANTHRACEN|Benz[a]anthracen|Benz[a]anthracene|Benzanthracene|Benzanthrene|Benzo(a)anthracene|Benzo(b)phenanthrene|Benzo[a]anthracene|benzo[a]antraceno|Benzo[b]phenanthrene|Benzoanthracene|EINECS 200-280-6|Naphthanthracene|NSC 30970|RCRA waste number U018|Tetraphene|UNII-C5PLF6152K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023902 https://doi.org/10.22427/NTP-DATA-DTXSID5023902
ERPathway2016 ERPathway2016_297 Benz(a)anthracene 56-55-3 DTXSID5023902 ER Pathway Model, Antagonist AC50 4.95685581848648 uM C1=CC2=C(C=C1)C=C1C(C=CC3=C1C=CC=C3)=C2 Benz(a)anthracene 56-55-3|Benz(a)anthracene|1,2-Benz(a)anthracene|1,2-Benz[a]anthracene|1,2-Benzanthracene|1,2-Benzanthrazen|1,2-Benzanthrene|1,2-Benzoanthracene|2,3-Benzophenanthrene|2,3-Benzphenanthrene|BENZ(A)ANTHRACEN|Benz[a]anthracen|Benz[a]anthracene|Benzanthracene|Benzanthrene|Benzo(a)anthracene|Benzo(b)phenanthrene|Benzo[a]anthracene|benzo[a]antraceno|Benzo[b]phenanthrene|Benzoanthracene|EINECS 200-280-6|Naphthanthracene|NSC 30970|RCRA waste number U018|Tetraphene|UNII-C5PLF6152K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023902 https://doi.org/10.22427/NTP-DATA-DTXSID5023902
ERPathway2016 ERPathway2016_297 Benz(a)anthracene 56-55-3 DTXSID5023902 ER Pathway Model, Antagonist ACC 5.19613999434663 uM C1=CC2=C(C=C1)C=C1C(C=CC3=C1C=CC=C3)=C2 Benz(a)anthracene 56-55-3|Benz(a)anthracene|1,2-Benz(a)anthracene|1,2-Benz[a]anthracene|1,2-Benzanthracene|1,2-Benzanthrazen|1,2-Benzanthrene|1,2-Benzoanthracene|2,3-Benzophenanthrene|2,3-Benzphenanthrene|BENZ(A)ANTHRACEN|Benz[a]anthracen|Benz[a]anthracene|Benzanthracene|Benzanthrene|Benzo(a)anthracene|Benzo(b)phenanthrene|Benzo[a]anthracene|benzo[a]antraceno|Benzo[b]phenanthrene|Benzoanthracene|EINECS 200-280-6|Naphthanthracene|NSC 30970|RCRA waste number U018|Tetraphene|UNII-C5PLF6152K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023902 https://doi.org/10.22427/NTP-DATA-DTXSID5023902
ERPathway2016 ERPathway2016_297 Benz(a)anthracene 56-55-3 DTXSID5023902 ER Pathway Model, Agonist Model Score 0.0372 Unitless C1=CC2=C(C=C1)C=C1C(C=CC3=C1C=CC=C3)=C2 Benz(a)anthracene 56-55-3|Benz(a)anthracene|1,2-Benz(a)anthracene|1,2-Benz[a]anthracene|1,2-Benzanthracene|1,2-Benzanthrazen|1,2-Benzanthrene|1,2-Benzoanthracene|2,3-Benzophenanthrene|2,3-Benzphenanthrene|BENZ(A)ANTHRACEN|Benz[a]anthracen|Benz[a]anthracene|Benzanthracene|Benzanthrene|Benzo(a)anthracene|Benzo(b)phenanthrene|Benzo[a]anthracene|benzo[a]antraceno|Benzo[b]phenanthrene|Benzoanthracene|EINECS 200-280-6|Naphthanthracene|NSC 30970|RCRA waste number U018|Tetraphene|UNII-C5PLF6152K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023902 https://doi.org/10.22427/NTP-DATA-DTXSID5023902
ERPathway2016 ERPathway2016_297 Benz(a)anthracene 56-55-3 DTXSID5023902 ER Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=C(C=C1)C=C1C(C=CC3=C1C=CC=C3)=C2 Benz(a)anthracene 56-55-3|Benz(a)anthracene|1,2-Benz(a)anthracene|1,2-Benz[a]anthracene|1,2-Benzanthracene|1,2-Benzanthrazen|1,2-Benzanthrene|1,2-Benzoanthracene|2,3-Benzophenanthrene|2,3-Benzphenanthrene|BENZ(A)ANTHRACEN|Benz[a]anthracen|Benz[a]anthracene|Benzanthracene|Benzanthrene|Benzo(a)anthracene|Benzo(b)phenanthrene|Benzo[a]anthracene|benzo[a]antraceno|Benzo[b]phenanthrene|Benzoanthracene|EINECS 200-280-6|Naphthanthracene|NSC 30970|RCRA waste number U018|Tetraphene|UNII-C5PLF6152K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023902 https://doi.org/10.22427/NTP-DATA-DTXSID5023902
ERPathway2016 ERPathway2016_297 Benz(a)anthracene 56-55-3 DTXSID5023902 ER Pathway Model, Agonist Call Inactive Unitless C1=CC2=C(C=C1)C=C1C(C=CC3=C1C=CC=C3)=C2 Benz(a)anthracene 56-55-3|Benz(a)anthracene|1,2-Benz(a)anthracene|1,2-Benz[a]anthracene|1,2-Benzanthracene|1,2-Benzanthrazen|1,2-Benzanthrene|1,2-Benzoanthracene|2,3-Benzophenanthrene|2,3-Benzphenanthrene|BENZ(A)ANTHRACEN|Benz[a]anthracen|Benz[a]anthracene|Benzanthracene|Benzanthrene|Benzo(a)anthracene|Benzo(b)phenanthrene|Benzo[a]anthracene|benzo[a]antraceno|Benzo[b]phenanthrene|Benzoanthracene|EINECS 200-280-6|Naphthanthracene|NSC 30970|RCRA waste number U018|Tetraphene|UNII-C5PLF6152K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023902 https://doi.org/10.22427/NTP-DATA-DTXSID5023902
ERPathway2016 ERPathway2016_297 Benz(a)anthracene 56-55-3 DTXSID5023902 ER Pathway Model, Antagonist Call Active Unitless C1=CC2=C(C=C1)C=C1C(C=CC3=C1C=CC=C3)=C2 Benz(a)anthracene 56-55-3|Benz(a)anthracene|1,2-Benz(a)anthracene|1,2-Benz[a]anthracene|1,2-Benzanthracene|1,2-Benzanthrazen|1,2-Benzanthrene|1,2-Benzoanthracene|2,3-Benzophenanthrene|2,3-Benzphenanthrene|BENZ(A)ANTHRACEN|Benz[a]anthracen|Benz[a]anthracene|Benzanthracene|Benzanthrene|Benzo(a)anthracene|Benzo(b)phenanthrene|Benzo[a]anthracene|benzo[a]antraceno|Benzo[b]phenanthrene|Benzoanthracene|EINECS 200-280-6|Naphthanthracene|NSC 30970|RCRA waste number U018|Tetraphene|UNII-C5PLF6152K https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023902 https://doi.org/10.22427/NTP-DATA-DTXSID5023902
ARPathway2016 ARPathway2016_1806 Benzal chloride 98-87-3 DTXSID6025014 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC(Cl)C1=CC=CC=C1 Benzal chloride 98-87-3|Benzal chloride|(Dichloromethyl)benzene|4-05-00-00817|alpha,alpha-Dichlorotoluene|Benzene, (dichloromethyl) -|Benzyl dichloride|Benzylene chloride|Benzylidene chloride|benzylidene dichloride|BRN 1099407|Chlorobenzal|Chlorure de benzylidene|Cloruro de bencilideno|Dichloromethyl benzene|Dichlorophenylmethane|EINECS 202-709-2|NSC 7915|RCRA waste number U017|Toluene, alpha,alpha-dichloro-|Toluene, a,a-dichloro-|UN 1886 (DOT)|UNII-222447TR16|a,a-Dichlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025014 https://doi.org/10.22427/NTP-DATA-DTXSID6025014
ARPathway2016 ARPathway2016_1806 Benzal chloride 98-87-3 DTXSID6025014 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)C1=CC=CC=C1 Benzal chloride 98-87-3|Benzal chloride|(Dichloromethyl)benzene|4-05-00-00817|alpha,alpha-Dichlorotoluene|Benzene, (dichloromethyl) -|Benzyl dichloride|Benzylene chloride|Benzylidene chloride|benzylidene dichloride|BRN 1099407|Chlorobenzal|Chlorure de benzylidene|Cloruro de bencilideno|Dichloromethyl benzene|Dichlorophenylmethane|EINECS 202-709-2|NSC 7915|RCRA waste number U017|Toluene, alpha,alpha-dichloro-|Toluene, a,a-dichloro-|UN 1886 (DOT)|UNII-222447TR16|a,a-Dichlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025014 https://doi.org/10.22427/NTP-DATA-DTXSID6025014
ARPathway2016 ARPathway2016_1806 Benzal chloride 98-87-3 DTXSID6025014 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC(Cl)C1=CC=CC=C1 Benzal chloride 98-87-3|Benzal chloride|(Dichloromethyl)benzene|4-05-00-00817|alpha,alpha-Dichlorotoluene|Benzene, (dichloromethyl) -|Benzyl dichloride|Benzylene chloride|Benzylidene chloride|benzylidene dichloride|BRN 1099407|Chlorobenzal|Chlorure de benzylidene|Cloruro de bencilideno|Dichloromethyl benzene|Dichlorophenylmethane|EINECS 202-709-2|NSC 7915|RCRA waste number U017|Toluene, alpha,alpha-dichloro-|Toluene, a,a-dichloro-|UN 1886 (DOT)|UNII-222447TR16|a,a-Dichlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025014 https://doi.org/10.22427/NTP-DATA-DTXSID6025014
ARPathway2016 ARPathway2016_1806 Benzal chloride 98-87-3 DTXSID6025014 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)C1=CC=CC=C1 Benzal chloride 98-87-3|Benzal chloride|(Dichloromethyl)benzene|4-05-00-00817|alpha,alpha-Dichlorotoluene|Benzene, (dichloromethyl) -|Benzyl dichloride|Benzylene chloride|Benzylidene chloride|benzylidene dichloride|BRN 1099407|Chlorobenzal|Chlorure de benzylidene|Cloruro de bencilideno|Dichloromethyl benzene|Dichlorophenylmethane|EINECS 202-709-2|NSC 7915|RCRA waste number U017|Toluene, alpha,alpha-dichloro-|Toluene, a,a-dichloro-|UN 1886 (DOT)|UNII-222447TR16|a,a-Dichlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025014 https://doi.org/10.22427/NTP-DATA-DTXSID6025014
ERPathway2016 ERPathway2016_1791 Benzal chloride 98-87-3 DTXSID6025014 ER Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)C1=CC=CC=C1 Benzal chloride 98-87-3|Benzal chloride|(Dichloromethyl)benzene|4-05-00-00817|alpha,alpha-Dichlorotoluene|Benzene, (dichloromethyl) -|Benzyl dichloride|Benzylene chloride|Benzylidene chloride|benzylidene dichloride|BRN 1099407|Chlorobenzal|Chlorure de benzylidene|Cloruro de bencilideno|Dichloromethyl benzene|Dichlorophenylmethane|EINECS 202-709-2|NSC 7915|RCRA waste number U017|Toluene, alpha,alpha-dichloro-|Toluene, a,a-dichloro-|UN 1886 (DOT)|UNII-222447TR16|a,a-Dichlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025014 https://doi.org/10.22427/NTP-DATA-DTXSID6025014
ERPathway2016 ERPathway2016_1791 Benzal chloride 98-87-3 DTXSID6025014 ER Pathway Model, Antagonist Model Score 0 Unitless ClC(Cl)C1=CC=CC=C1 Benzal chloride 98-87-3|Benzal chloride|(Dichloromethyl)benzene|4-05-00-00817|alpha,alpha-Dichlorotoluene|Benzene, (dichloromethyl) -|Benzyl dichloride|Benzylene chloride|Benzylidene chloride|benzylidene dichloride|BRN 1099407|Chlorobenzal|Chlorure de benzylidene|Cloruro de bencilideno|Dichloromethyl benzene|Dichlorophenylmethane|EINECS 202-709-2|NSC 7915|RCRA waste number U017|Toluene, alpha,alpha-dichloro-|Toluene, a,a-dichloro-|UN 1886 (DOT)|UNII-222447TR16|a,a-Dichlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025014 https://doi.org/10.22427/NTP-DATA-DTXSID6025014
ERPathway2016 ERPathway2016_1791 Benzal chloride 98-87-3 DTXSID6025014 ER Pathway Model, Agonist Call Inactive Unitless ClC(Cl)C1=CC=CC=C1 Benzal chloride 98-87-3|Benzal chloride|(Dichloromethyl)benzene|4-05-00-00817|alpha,alpha-Dichlorotoluene|Benzene, (dichloromethyl) -|Benzyl dichloride|Benzylene chloride|Benzylidene chloride|benzylidene dichloride|BRN 1099407|Chlorobenzal|Chlorure de benzylidene|Cloruro de bencilideno|Dichloromethyl benzene|Dichlorophenylmethane|EINECS 202-709-2|NSC 7915|RCRA waste number U017|Toluene, alpha,alpha-dichloro-|Toluene, a,a-dichloro-|UN 1886 (DOT)|UNII-222447TR16|a,a-Dichlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025014 https://doi.org/10.22427/NTP-DATA-DTXSID6025014
ERPathway2016 ERPathway2016_1791 Benzal chloride 98-87-3 DTXSID6025014 ER Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)C1=CC=CC=C1 Benzal chloride 98-87-3|Benzal chloride|(Dichloromethyl)benzene|4-05-00-00817|alpha,alpha-Dichlorotoluene|Benzene, (dichloromethyl) -|Benzyl dichloride|Benzylene chloride|Benzylidene chloride|benzylidene dichloride|BRN 1099407|Chlorobenzal|Chlorure de benzylidene|Cloruro de bencilideno|Dichloromethyl benzene|Dichlorophenylmethane|EINECS 202-709-2|NSC 7915|RCRA waste number U017|Toluene, alpha,alpha-dichloro-|Toluene, a,a-dichloro-|UN 1886 (DOT)|UNII-222447TR16|a,a-Dichlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025014 https://doi.org/10.22427/NTP-DATA-DTXSID6025014
ARPathway2016 ARPathway2016_285 Benzalkonium chloride 8001-54-5 DTXSID9034317 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 12.2763507815147 uM Benzalkonium chloride 8001-54-5|Benzalkonium chloride|ADBAC|ADBAC (C12 50%, C14 30%, C16 17%, C18 3%)|Alkyl dimethylbenzyl ammonium chloride|Alkyl* dimethyl benzyl ammonium chloride *(50%C12, 30%C14, 17%C16, 3%C18)|Alkylbenzyldimethylammonium chlorides|Alkyldimethyl(phenylmethyl)quaternary ammonium chlorides|Alkyldimethylbenzylammonium chloride|Ammonium compounds, substituted, alkylbenzyldimethyl chlorides|Ammonium salts, alkylbenzyldimethyl, chlorides|Ammonyx|Arquad B 100|Arquad CB 30|Arquad dmmcb-75|Barquat MB-50|Barquat MB-80|Bayclean|Benirol|Benzalconio cloruro|Benzalkon A|Benzalkonii chloridum|Benzalkonium A|BENZALKONIUMCHLORID|Bio-quat 50-24|Bio-quat 50-25|Bio-quat 50-30|Bio-quat 50-40|Bio-quat 50-42|Bio-quat 50-60|Bio-quat 50-65|Bio-quat 80-24|Bio-quat 80-28|Bio-quat 80-40|Bio-quat 80-42|BTC|BTC 2565|BTC 471|Capitol|Cequartyl|Chlorure de benzalkonium|Cloruro de benzalconio|Culversan LC 80|Desitin Dabaways|Desitin Skin Care Lotions|Dimanin A|Disinall|Drapolene|Drapolex|E-Pilo Ophthalmic Solution|EC No.: 616-786-9|Enuclen|EPA Pesticide Chemical Code 069105||115003-70-8|12741-06-9|39434-18-9|59890-14-1|75635-12-0|8011-91-4|8036-90-6|8039-63-2|8045-21-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034317
ARPathway2016 ARPathway2016_285 Benzalkonium chloride 8001-54-5 DTXSID9034317 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 10.3712700820365 uM Benzalkonium chloride 8001-54-5|Benzalkonium chloride|ADBAC|ADBAC (C12 50%, C14 30%, C16 17%, C18 3%)|Alkyl dimethylbenzyl ammonium chloride|Alkyl* dimethyl benzyl ammonium chloride *(50%C12, 30%C14, 17%C16, 3%C18)|Alkylbenzyldimethylammonium chlorides|Alkyldimethyl(phenylmethyl)quaternary ammonium chlorides|Alkyldimethylbenzylammonium chloride|Ammonium compounds, substituted, alkylbenzyldimethyl chlorides|Ammonium salts, alkylbenzyldimethyl, chlorides|Ammonyx|Arquad B 100|Arquad CB 30|Arquad dmmcb-75|Barquat MB-50|Barquat MB-80|Bayclean|Benirol|Benzalconio cloruro|Benzalkon A|Benzalkonii chloridum|Benzalkonium A|BENZALKONIUMCHLORID|Bio-quat 50-24|Bio-quat 50-25|Bio-quat 50-30|Bio-quat 50-40|Bio-quat 50-42|Bio-quat 50-60|Bio-quat 50-65|Bio-quat 80-24|Bio-quat 80-28|Bio-quat 80-40|Bio-quat 80-42|BTC|BTC 2565|BTC 471|Capitol|Cequartyl|Chlorure de benzalkonium|Cloruro de benzalconio|Culversan LC 80|Desitin Dabaways|Desitin Skin Care Lotions|Dimanin A|Disinall|Drapolene|Drapolex|E-Pilo Ophthalmic Solution|EC No.: 616-786-9|Enuclen|EPA Pesticide Chemical Code 069105||115003-70-8|12741-06-9|39434-18-9|59890-14-1|75635-12-0|8011-91-4|8036-90-6|8039-63-2|8045-21-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034317
ARPathway2016 ARPathway2016_285 Benzalkonium chloride 8001-54-5 DTXSID9034317 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.251 Unitless Benzalkonium chloride 8001-54-5|Benzalkonium chloride|ADBAC|ADBAC (C12 50%, C14 30%, C16 17%, C18 3%)|Alkyl dimethylbenzyl ammonium chloride|Alkyl* dimethyl benzyl ammonium chloride *(50%C12, 30%C14, 17%C16, 3%C18)|Alkylbenzyldimethylammonium chlorides|Alkyldimethyl(phenylmethyl)quaternary ammonium chlorides|Alkyldimethylbenzylammonium chloride|Ammonium compounds, substituted, alkylbenzyldimethyl chlorides|Ammonium salts, alkylbenzyldimethyl, chlorides|Ammonyx|Arquad B 100|Arquad CB 30|Arquad dmmcb-75|Barquat MB-50|Barquat MB-80|Bayclean|Benirol|Benzalconio cloruro|Benzalkon A|Benzalkonii chloridum|Benzalkonium A|BENZALKONIUMCHLORID|Bio-quat 50-24|Bio-quat 50-25|Bio-quat 50-30|Bio-quat 50-40|Bio-quat 50-42|Bio-quat 50-60|Bio-quat 50-65|Bio-quat 80-24|Bio-quat 80-28|Bio-quat 80-40|Bio-quat 80-42|BTC|BTC 2565|BTC 471|Capitol|Cequartyl|Chlorure de benzalkonium|Cloruro de benzalconio|Culversan LC 80|Desitin Dabaways|Desitin Skin Care Lotions|Dimanin A|Disinall|Drapolene|Drapolex|E-Pilo Ophthalmic Solution|EC No.: 616-786-9|Enuclen|EPA Pesticide Chemical Code 069105||115003-70-8|12741-06-9|39434-18-9|59890-14-1|75635-12-0|8011-91-4|8036-90-6|8039-63-2|8045-21-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034317
ARPathway2016 ARPathway2016_285 Benzalkonium chloride 8001-54-5 DTXSID9034317 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless Benzalkonium chloride 8001-54-5|Benzalkonium chloride|ADBAC|ADBAC (C12 50%, C14 30%, C16 17%, C18 3%)|Alkyl dimethylbenzyl ammonium chloride|Alkyl* dimethyl benzyl ammonium chloride *(50%C12, 30%C14, 17%C16, 3%C18)|Alkylbenzyldimethylammonium chlorides|Alkyldimethyl(phenylmethyl)quaternary ammonium chlorides|Alkyldimethylbenzylammonium chloride|Ammonium compounds, substituted, alkylbenzyldimethyl chlorides|Ammonium salts, alkylbenzyldimethyl, chlorides|Ammonyx|Arquad B 100|Arquad CB 30|Arquad dmmcb-75|Barquat MB-50|Barquat MB-80|Bayclean|Benirol|Benzalconio cloruro|Benzalkon A|Benzalkonii chloridum|Benzalkonium A|BENZALKONIUMCHLORID|Bio-quat 50-24|Bio-quat 50-25|Bio-quat 50-30|Bio-quat 50-40|Bio-quat 50-42|Bio-quat 50-60|Bio-quat 50-65|Bio-quat 80-24|Bio-quat 80-28|Bio-quat 80-40|Bio-quat 80-42|BTC|BTC 2565|BTC 471|Capitol|Cequartyl|Chlorure de benzalkonium|Cloruro de benzalconio|Culversan LC 80|Desitin Dabaways|Desitin Skin Care Lotions|Dimanin A|Disinall|Drapolene|Drapolex|E-Pilo Ophthalmic Solution|EC No.: 616-786-9|Enuclen|EPA Pesticide Chemical Code 069105||115003-70-8|12741-06-9|39434-18-9|59890-14-1|75635-12-0|8011-91-4|8036-90-6|8039-63-2|8045-21-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034317
ARPathway2016 ARPathway2016_285 Benzalkonium chloride 8001-54-5 DTXSID9034317 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Benzalkonium chloride 8001-54-5|Benzalkonium chloride|ADBAC|ADBAC (C12 50%, C14 30%, C16 17%, C18 3%)|Alkyl dimethylbenzyl ammonium chloride|Alkyl* dimethyl benzyl ammonium chloride *(50%C12, 30%C14, 17%C16, 3%C18)|Alkylbenzyldimethylammonium chlorides|Alkyldimethyl(phenylmethyl)quaternary ammonium chlorides|Alkyldimethylbenzylammonium chloride|Ammonium compounds, substituted, alkylbenzyldimethyl chlorides|Ammonium salts, alkylbenzyldimethyl, chlorides|Ammonyx|Arquad B 100|Arquad CB 30|Arquad dmmcb-75|Barquat MB-50|Barquat MB-80|Bayclean|Benirol|Benzalconio cloruro|Benzalkon A|Benzalkonii chloridum|Benzalkonium A|BENZALKONIUMCHLORID|Bio-quat 50-24|Bio-quat 50-25|Bio-quat 50-30|Bio-quat 50-40|Bio-quat 50-42|Bio-quat 50-60|Bio-quat 50-65|Bio-quat 80-24|Bio-quat 80-28|Bio-quat 80-40|Bio-quat 80-42|BTC|BTC 2565|BTC 471|Capitol|Cequartyl|Chlorure de benzalkonium|Cloruro de benzalconio|Culversan LC 80|Desitin Dabaways|Desitin Skin Care Lotions|Dimanin A|Disinall|Drapolene|Drapolex|E-Pilo Ophthalmic Solution|EC No.: 616-786-9|Enuclen|EPA Pesticide Chemical Code 069105||115003-70-8|12741-06-9|39434-18-9|59890-14-1|75635-12-0|8011-91-4|8036-90-6|8039-63-2|8045-21-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034317
ARPathway2016 ARPathway2016_285 Benzalkonium chloride 8001-54-5 DTXSID9034317 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Benzalkonium chloride 8001-54-5|Benzalkonium chloride|ADBAC|ADBAC (C12 50%, C14 30%, C16 17%, C18 3%)|Alkyl dimethylbenzyl ammonium chloride|Alkyl* dimethyl benzyl ammonium chloride *(50%C12, 30%C14, 17%C16, 3%C18)|Alkylbenzyldimethylammonium chlorides|Alkyldimethyl(phenylmethyl)quaternary ammonium chlorides|Alkyldimethylbenzylammonium chloride|Ammonium compounds, substituted, alkylbenzyldimethyl chlorides|Ammonium salts, alkylbenzyldimethyl, chlorides|Ammonyx|Arquad B 100|Arquad CB 30|Arquad dmmcb-75|Barquat MB-50|Barquat MB-80|Bayclean|Benirol|Benzalconio cloruro|Benzalkon A|Benzalkonii chloridum|Benzalkonium A|BENZALKONIUMCHLORID|Bio-quat 50-24|Bio-quat 50-25|Bio-quat 50-30|Bio-quat 50-40|Bio-quat 50-42|Bio-quat 50-60|Bio-quat 50-65|Bio-quat 80-24|Bio-quat 80-28|Bio-quat 80-40|Bio-quat 80-42|BTC|BTC 2565|BTC 471|Capitol|Cequartyl|Chlorure de benzalkonium|Cloruro de benzalconio|Culversan LC 80|Desitin Dabaways|Desitin Skin Care Lotions|Dimanin A|Disinall|Drapolene|Drapolex|E-Pilo Ophthalmic Solution|EC No.: 616-786-9|Enuclen|EPA Pesticide Chemical Code 069105||115003-70-8|12741-06-9|39434-18-9|59890-14-1|75635-12-0|8011-91-4|8036-90-6|8039-63-2|8045-21-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034317
ERPathway2016 ERPathway2016_89 Benzalkonium chloride 8001-54-5 DTXSID9034317 A3 ER Pathway Model, Agonist AC50 12.2835629449957 uM Benzalkonium chloride 8001-54-5|Benzalkonium chloride|ADBAC|ADBAC (C12 50%, C14 30%, C16 17%, C18 3%)|Alkyl dimethylbenzyl ammonium chloride|Alkyl* dimethyl benzyl ammonium chloride *(50%C12, 30%C14, 17%C16, 3%C18)|Alkylbenzyldimethylammonium chlorides|Alkyldimethyl(phenylmethyl)quaternary ammonium chlorides|Alkyldimethylbenzylammonium chloride|Ammonium compounds, substituted, alkylbenzyldimethyl chlorides|Ammonium salts, alkylbenzyldimethyl, chlorides|Ammonyx|Arquad B 100|Arquad CB 30|Arquad dmmcb-75|Barquat MB-50|Barquat MB-80|Bayclean|Benirol|Benzalconio cloruro|Benzalkon A|Benzalkonii chloridum|Benzalkonium A|BENZALKONIUMCHLORID|Bio-quat 50-24|Bio-quat 50-25|Bio-quat 50-30|Bio-quat 50-40|Bio-quat 50-42|Bio-quat 50-60|Bio-quat 50-65|Bio-quat 80-24|Bio-quat 80-28|Bio-quat 80-40|Bio-quat 80-42|BTC|BTC 2565|BTC 471|Capitol|Cequartyl|Chlorure de benzalkonium|Cloruro de benzalconio|Culversan LC 80|Desitin Dabaways|Desitin Skin Care Lotions|Dimanin A|Disinall|Drapolene|Drapolex|E-Pilo Ophthalmic Solution|EC No.: 616-786-9|Enuclen|EPA Pesticide Chemical Code 069105||115003-70-8|12741-06-9|39434-18-9|59890-14-1|75635-12-0|8011-91-4|8036-90-6|8039-63-2|8045-21-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034317
ERPathway2016 ERPathway2016_89 Benzalkonium chloride 8001-54-5 DTXSID9034317 A3 ER Pathway Model, Agonist ACC 5.82455030373376 uM Benzalkonium chloride 8001-54-5|Benzalkonium chloride|ADBAC|ADBAC (C12 50%, C14 30%, C16 17%, C18 3%)|Alkyl dimethylbenzyl ammonium chloride|Alkyl* dimethyl benzyl ammonium chloride *(50%C12, 30%C14, 17%C16, 3%C18)|Alkylbenzyldimethylammonium chlorides|Alkyldimethyl(phenylmethyl)quaternary ammonium chlorides|Alkyldimethylbenzylammonium chloride|Ammonium compounds, substituted, alkylbenzyldimethyl chlorides|Ammonium salts, alkylbenzyldimethyl, chlorides|Ammonyx|Arquad B 100|Arquad CB 30|Arquad dmmcb-75|Barquat MB-50|Barquat MB-80|Bayclean|Benirol|Benzalconio cloruro|Benzalkon A|Benzalkonii chloridum|Benzalkonium A|BENZALKONIUMCHLORID|Bio-quat 50-24|Bio-quat 50-25|Bio-quat 50-30|Bio-quat 50-40|Bio-quat 50-42|Bio-quat 50-60|Bio-quat 50-65|Bio-quat 80-24|Bio-quat 80-28|Bio-quat 80-40|Bio-quat 80-42|BTC|BTC 2565|BTC 471|Capitol|Cequartyl|Chlorure de benzalkonium|Cloruro de benzalconio|Culversan LC 80|Desitin Dabaways|Desitin Skin Care Lotions|Dimanin A|Disinall|Drapolene|Drapolex|E-Pilo Ophthalmic Solution|EC No.: 616-786-9|Enuclen|EPA Pesticide Chemical Code 069105||115003-70-8|12741-06-9|39434-18-9|59890-14-1|75635-12-0|8011-91-4|8036-90-6|8039-63-2|8045-21-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034317
ERPathway2016 ERPathway2016_89 Benzalkonium chloride 8001-54-5 DTXSID9034317 A3 ER Pathway Model, Agonist Model Score 0 Unitless Benzalkonium chloride 8001-54-5|Benzalkonium chloride|ADBAC|ADBAC (C12 50%, C14 30%, C16 17%, C18 3%)|Alkyl dimethylbenzyl ammonium chloride|Alkyl* dimethyl benzyl ammonium chloride *(50%C12, 30%C14, 17%C16, 3%C18)|Alkylbenzyldimethylammonium chlorides|Alkyldimethyl(phenylmethyl)quaternary ammonium chlorides|Alkyldimethylbenzylammonium chloride|Ammonium compounds, substituted, alkylbenzyldimethyl chlorides|Ammonium salts, alkylbenzyldimethyl, chlorides|Ammonyx|Arquad B 100|Arquad CB 30|Arquad dmmcb-75|Barquat MB-50|Barquat MB-80|Bayclean|Benirol|Benzalconio cloruro|Benzalkon A|Benzalkonii chloridum|Benzalkonium A|BENZALKONIUMCHLORID|Bio-quat 50-24|Bio-quat 50-25|Bio-quat 50-30|Bio-quat 50-40|Bio-quat 50-42|Bio-quat 50-60|Bio-quat 50-65|Bio-quat 80-24|Bio-quat 80-28|Bio-quat 80-40|Bio-quat 80-42|BTC|BTC 2565|BTC 471|Capitol|Cequartyl|Chlorure de benzalkonium|Cloruro de benzalconio|Culversan LC 80|Desitin Dabaways|Desitin Skin Care Lotions|Dimanin A|Disinall|Drapolene|Drapolex|E-Pilo Ophthalmic Solution|EC No.: 616-786-9|Enuclen|EPA Pesticide Chemical Code 069105||115003-70-8|12741-06-9|39434-18-9|59890-14-1|75635-12-0|8011-91-4|8036-90-6|8039-63-2|8045-21-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034317
ERPathway2016 ERPathway2016_89 Benzalkonium chloride 8001-54-5 DTXSID9034317 A3 ER Pathway Model, Antagonist Model Score 0.0727 Unitless Benzalkonium chloride 8001-54-5|Benzalkonium chloride|ADBAC|ADBAC (C12 50%, C14 30%, C16 17%, C18 3%)|Alkyl dimethylbenzyl ammonium chloride|Alkyl* dimethyl benzyl ammonium chloride *(50%C12, 30%C14, 17%C16, 3%C18)|Alkylbenzyldimethylammonium chlorides|Alkyldimethyl(phenylmethyl)quaternary ammonium chlorides|Alkyldimethylbenzylammonium chloride|Ammonium compounds, substituted, alkylbenzyldimethyl chlorides|Ammonium salts, alkylbenzyldimethyl, chlorides|Ammonyx|Arquad B 100|Arquad CB 30|Arquad dmmcb-75|Barquat MB-50|Barquat MB-80|Bayclean|Benirol|Benzalconio cloruro|Benzalkon A|Benzalkonii chloridum|Benzalkonium A|BENZALKONIUMCHLORID|Bio-quat 50-24|Bio-quat 50-25|Bio-quat 50-30|Bio-quat 50-40|Bio-quat 50-42|Bio-quat 50-60|Bio-quat 50-65|Bio-quat 80-24|Bio-quat 80-28|Bio-quat 80-40|Bio-quat 80-42|BTC|BTC 2565|BTC 471|Capitol|Cequartyl|Chlorure de benzalkonium|Cloruro de benzalconio|Culversan LC 80|Desitin Dabaways|Desitin Skin Care Lotions|Dimanin A|Disinall|Drapolene|Drapolex|E-Pilo Ophthalmic Solution|EC No.: 616-786-9|Enuclen|EPA Pesticide Chemical Code 069105||115003-70-8|12741-06-9|39434-18-9|59890-14-1|75635-12-0|8011-91-4|8036-90-6|8039-63-2|8045-21-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034317
ERPathway2016 ERPathway2016_89 Benzalkonium chloride 8001-54-5 DTXSID9034317 A3 ER Pathway Model, Agonist Call Active Unitless Benzalkonium chloride 8001-54-5|Benzalkonium chloride|ADBAC|ADBAC (C12 50%, C14 30%, C16 17%, C18 3%)|Alkyl dimethylbenzyl ammonium chloride|Alkyl* dimethyl benzyl ammonium chloride *(50%C12, 30%C14, 17%C16, 3%C18)|Alkylbenzyldimethylammonium chlorides|Alkyldimethyl(phenylmethyl)quaternary ammonium chlorides|Alkyldimethylbenzylammonium chloride|Ammonium compounds, substituted, alkylbenzyldimethyl chlorides|Ammonium salts, alkylbenzyldimethyl, chlorides|Ammonyx|Arquad B 100|Arquad CB 30|Arquad dmmcb-75|Barquat MB-50|Barquat MB-80|Bayclean|Benirol|Benzalconio cloruro|Benzalkon A|Benzalkonii chloridum|Benzalkonium A|BENZALKONIUMCHLORID|Bio-quat 50-24|Bio-quat 50-25|Bio-quat 50-30|Bio-quat 50-40|Bio-quat 50-42|Bio-quat 50-60|Bio-quat 50-65|Bio-quat 80-24|Bio-quat 80-28|Bio-quat 80-40|Bio-quat 80-42|BTC|BTC 2565|BTC 471|Capitol|Cequartyl|Chlorure de benzalkonium|Cloruro de benzalconio|Culversan LC 80|Desitin Dabaways|Desitin Skin Care Lotions|Dimanin A|Disinall|Drapolene|Drapolex|E-Pilo Ophthalmic Solution|EC No.: 616-786-9|Enuclen|EPA Pesticide Chemical Code 069105||115003-70-8|12741-06-9|39434-18-9|59890-14-1|75635-12-0|8011-91-4|8036-90-6|8039-63-2|8045-21-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034317
ERPathway2016 ERPathway2016_89 Benzalkonium chloride 8001-54-5 DTXSID9034317 A3 ER Pathway Model, Antagonist Call Inactive Unitless Benzalkonium chloride 8001-54-5|Benzalkonium chloride|ADBAC|ADBAC (C12 50%, C14 30%, C16 17%, C18 3%)|Alkyl dimethylbenzyl ammonium chloride|Alkyl* dimethyl benzyl ammonium chloride *(50%C12, 30%C14, 17%C16, 3%C18)|Alkylbenzyldimethylammonium chlorides|Alkyldimethyl(phenylmethyl)quaternary ammonium chlorides|Alkyldimethylbenzylammonium chloride|Ammonium compounds, substituted, alkylbenzyldimethyl chlorides|Ammonium salts, alkylbenzyldimethyl, chlorides|Ammonyx|Arquad B 100|Arquad CB 30|Arquad dmmcb-75|Barquat MB-50|Barquat MB-80|Bayclean|Benirol|Benzalconio cloruro|Benzalkon A|Benzalkonii chloridum|Benzalkonium A|BENZALKONIUMCHLORID|Bio-quat 50-24|Bio-quat 50-25|Bio-quat 50-30|Bio-quat 50-40|Bio-quat 50-42|Bio-quat 50-60|Bio-quat 50-65|Bio-quat 80-24|Bio-quat 80-28|Bio-quat 80-40|Bio-quat 80-42|BTC|BTC 2565|BTC 471|Capitol|Cequartyl|Chlorure de benzalkonium|Cloruro de benzalconio|Culversan LC 80|Desitin Dabaways|Desitin Skin Care Lotions|Dimanin A|Disinall|Drapolene|Drapolex|E-Pilo Ophthalmic Solution|EC No.: 616-786-9|Enuclen|EPA Pesticide Chemical Code 069105||115003-70-8|12741-06-9|39434-18-9|59890-14-1|75635-12-0|8011-91-4|8036-90-6|8039-63-2|8045-21-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034317
ARPathway2016 ARPathway2016_524 Benzenethiol 108-98-5 DTXSID7026811 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless SC1=CC=CC=C1 Benzenethiol 108-98-5|Benzenethiol|4-06-00-01463|bencenotiol|Benzene, mercapto-|Benzolthiol|BRN 0506523|EINECS 203-635-3|FEMA No. 3616|Mercaptobenzene|NSC 6953|Phenol, thio-|PHENYL MERCAPTAN|Phenylmercaptan|Phenylthiol|RCRA waste number P014|Thiofenol|Thiophenol|UN 2337|UNII-7K011JR4T0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026811 https://doi.org/10.22427/NTP-DATA-DTXSID7026811
ARPathway2016 ARPathway2016_524 Benzenethiol 108-98-5 DTXSID7026811 0.0 AR Pathway Model, Agonist Model Score 0 Unitless SC1=CC=CC=C1 Benzenethiol 108-98-5|Benzenethiol|4-06-00-01463|bencenotiol|Benzene, mercapto-|Benzolthiol|BRN 0506523|EINECS 203-635-3|FEMA No. 3616|Mercaptobenzene|NSC 6953|Phenol, thio-|PHENYL MERCAPTAN|Phenylmercaptan|Phenylthiol|RCRA waste number P014|Thiofenol|Thiophenol|UN 2337|UNII-7K011JR4T0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026811 https://doi.org/10.22427/NTP-DATA-DTXSID7026811
ARPathway2016 ARPathway2016_524 Benzenethiol 108-98-5 DTXSID7026811 0.0 AR Pathway Model, Agonist Call Inactive Unitless SC1=CC=CC=C1 Benzenethiol 108-98-5|Benzenethiol|4-06-00-01463|bencenotiol|Benzene, mercapto-|Benzolthiol|BRN 0506523|EINECS 203-635-3|FEMA No. 3616|Mercaptobenzene|NSC 6953|Phenol, thio-|PHENYL MERCAPTAN|Phenylmercaptan|Phenylthiol|RCRA waste number P014|Thiofenol|Thiophenol|UN 2337|UNII-7K011JR4T0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026811 https://doi.org/10.22427/NTP-DATA-DTXSID7026811
ARPathway2016 ARPathway2016_524 Benzenethiol 108-98-5 DTXSID7026811 0.0 AR Pathway Model, Antagonist Call Inactive Unitless SC1=CC=CC=C1 Benzenethiol 108-98-5|Benzenethiol|4-06-00-01463|bencenotiol|Benzene, mercapto-|Benzolthiol|BRN 0506523|EINECS 203-635-3|FEMA No. 3616|Mercaptobenzene|NSC 6953|Phenol, thio-|PHENYL MERCAPTAN|Phenylmercaptan|Phenylthiol|RCRA waste number P014|Thiofenol|Thiophenol|UN 2337|UNII-7K011JR4T0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026811 https://doi.org/10.22427/NTP-DATA-DTXSID7026811
ERPathway2016 ERPathway2016_403 Benzenethiol 108-98-5 DTXSID7026811 ER Pathway Model, Antagonist AC50 51.9069015523978 uM SC1=CC=CC=C1 Benzenethiol 108-98-5|Benzenethiol|4-06-00-01463|bencenotiol|Benzene, mercapto-|Benzolthiol|BRN 0506523|EINECS 203-635-3|FEMA No. 3616|Mercaptobenzene|NSC 6953|Phenol, thio-|PHENYL MERCAPTAN|Phenylmercaptan|Phenylthiol|RCRA waste number P014|Thiofenol|Thiophenol|UN 2337|UNII-7K011JR4T0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026811 https://doi.org/10.22427/NTP-DATA-DTXSID7026811
ERPathway2016 ERPathway2016_403 Benzenethiol 108-98-5 DTXSID7026811 ER Pathway Model, Antagonist ACC 35.4714244889808 uM SC1=CC=CC=C1 Benzenethiol 108-98-5|Benzenethiol|4-06-00-01463|bencenotiol|Benzene, mercapto-|Benzolthiol|BRN 0506523|EINECS 203-635-3|FEMA No. 3616|Mercaptobenzene|NSC 6953|Phenol, thio-|PHENYL MERCAPTAN|Phenylmercaptan|Phenylthiol|RCRA waste number P014|Thiofenol|Thiophenol|UN 2337|UNII-7K011JR4T0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026811 https://doi.org/10.22427/NTP-DATA-DTXSID7026811
ERPathway2016 ERPathway2016_403 Benzenethiol 108-98-5 DTXSID7026811 ER Pathway Model, Agonist Model Score 0.00908 Unitless SC1=CC=CC=C1 Benzenethiol 108-98-5|Benzenethiol|4-06-00-01463|bencenotiol|Benzene, mercapto-|Benzolthiol|BRN 0506523|EINECS 203-635-3|FEMA No. 3616|Mercaptobenzene|NSC 6953|Phenol, thio-|PHENYL MERCAPTAN|Phenylmercaptan|Phenylthiol|RCRA waste number P014|Thiofenol|Thiophenol|UN 2337|UNII-7K011JR4T0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026811 https://doi.org/10.22427/NTP-DATA-DTXSID7026811
ERPathway2016 ERPathway2016_403 Benzenethiol 108-98-5 DTXSID7026811 ER Pathway Model, Antagonist Model Score 0 Unitless SC1=CC=CC=C1 Benzenethiol 108-98-5|Benzenethiol|4-06-00-01463|bencenotiol|Benzene, mercapto-|Benzolthiol|BRN 0506523|EINECS 203-635-3|FEMA No. 3616|Mercaptobenzene|NSC 6953|Phenol, thio-|PHENYL MERCAPTAN|Phenylmercaptan|Phenylthiol|RCRA waste number P014|Thiofenol|Thiophenol|UN 2337|UNII-7K011JR4T0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026811 https://doi.org/10.22427/NTP-DATA-DTXSID7026811
ERPathway2016 ERPathway2016_403 Benzenethiol 108-98-5 DTXSID7026811 ER Pathway Model, Agonist Call Inactive Unitless SC1=CC=CC=C1 Benzenethiol 108-98-5|Benzenethiol|4-06-00-01463|bencenotiol|Benzene, mercapto-|Benzolthiol|BRN 0506523|EINECS 203-635-3|FEMA No. 3616|Mercaptobenzene|NSC 6953|Phenol, thio-|PHENYL MERCAPTAN|Phenylmercaptan|Phenylthiol|RCRA waste number P014|Thiofenol|Thiophenol|UN 2337|UNII-7K011JR4T0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026811 https://doi.org/10.22427/NTP-DATA-DTXSID7026811
ERPathway2016 ERPathway2016_403 Benzenethiol 108-98-5 DTXSID7026811 ER Pathway Model, Antagonist Call Active Unitless SC1=CC=CC=C1 Benzenethiol 108-98-5|Benzenethiol|4-06-00-01463|bencenotiol|Benzene, mercapto-|Benzolthiol|BRN 0506523|EINECS 203-635-3|FEMA No. 3616|Mercaptobenzene|NSC 6953|Phenol, thio-|PHENYL MERCAPTAN|Phenylmercaptan|Phenylthiol|RCRA waste number P014|Thiofenol|Thiophenol|UN 2337|UNII-7K011JR4T0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026811 https://doi.org/10.22427/NTP-DATA-DTXSID7026811
ARPathway2016 ARPathway2016_982 Benzo(b)fluoranthene 205-99-2 DTXSID0023907 0.0 A8 AR Pathway Model, Antagonist Model Score 0 Unitless C1=CC=C2C(=C1)C1=CC=CC3=C4C=CC=CC4=CC2=C13 Benzo(b)fluoranthene 205-99-2|Benzo(b)fluoranthene|2,3-Benzfluoranthene|2,3-Benzofluoranthene|2,3-Benzofluoranthrene|205-911-9|3,4-Benz(e)acephenanthrylene|3,4-Benz[e]acephenanthrylene|3,4-Benzfluoranthene|3,4-Benzofluoranthene|B(b)F|Benz(e)acephenanthrylen|benz(e)acephenanthrylene|Benz[e]acephenanthrylene|Benzo(b)flluoranthene|benzo(e)acefenantrileno|benzo(e)acephenanthrylene|Benzo(e)fluoranthene|Benzo[b]fluoranthene|Benzo[e]fluoranthene|BF|BRN 1872553|EC No.: 205-911-9|EINECS 205-911-9|NSC 89265|UNII-FJO154KG1X|858790-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023907 https://doi.org/10.22427/NTP-DATA-DTXSID0023907
ARPathway2016 ARPathway2016_982 Benzo(b)fluoranthene 205-99-2 DTXSID0023907 0.0 A8 AR Pathway Model, Agonist Model Score 0 Unitless C1=CC=C2C(=C1)C1=CC=CC3=C4C=CC=CC4=CC2=C13 Benzo(b)fluoranthene 205-99-2|Benzo(b)fluoranthene|2,3-Benzfluoranthene|2,3-Benzofluoranthene|2,3-Benzofluoranthrene|205-911-9|3,4-Benz(e)acephenanthrylene|3,4-Benz[e]acephenanthrylene|3,4-Benzfluoranthene|3,4-Benzofluoranthene|B(b)F|Benz(e)acephenanthrylen|benz(e)acephenanthrylene|Benz[e]acephenanthrylene|Benzo(b)flluoranthene|benzo(e)acefenantrileno|benzo(e)acephenanthrylene|Benzo(e)fluoranthene|Benzo[b]fluoranthene|Benzo[e]fluoranthene|BF|BRN 1872553|EC No.: 205-911-9|EINECS 205-911-9|NSC 89265|UNII-FJO154KG1X|858790-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023907 https://doi.org/10.22427/NTP-DATA-DTXSID0023907
ARPathway2016 ARPathway2016_982 Benzo(b)fluoranthene 205-99-2 DTXSID0023907 0.0 A8 AR Pathway Model, Agonist Call Inactive Unitless C1=CC=C2C(=C1)C1=CC=CC3=C4C=CC=CC4=CC2=C13 Benzo(b)fluoranthene 205-99-2|Benzo(b)fluoranthene|2,3-Benzfluoranthene|2,3-Benzofluoranthene|2,3-Benzofluoranthrene|205-911-9|3,4-Benz(e)acephenanthrylene|3,4-Benz[e]acephenanthrylene|3,4-Benzfluoranthene|3,4-Benzofluoranthene|B(b)F|Benz(e)acephenanthrylen|benz(e)acephenanthrylene|Benz[e]acephenanthrylene|Benzo(b)flluoranthene|benzo(e)acefenantrileno|benzo(e)acephenanthrylene|Benzo(e)fluoranthene|Benzo[b]fluoranthene|Benzo[e]fluoranthene|BF|BRN 1872553|EC No.: 205-911-9|EINECS 205-911-9|NSC 89265|UNII-FJO154KG1X|858790-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023907 https://doi.org/10.22427/NTP-DATA-DTXSID0023907
ARPathway2016 ARPathway2016_982 Benzo(b)fluoranthene 205-99-2 DTXSID0023907 0.0 A8 AR Pathway Model, Antagonist Call Inactive Unitless C1=CC=C2C(=C1)C1=CC=CC3=C4C=CC=CC4=CC2=C13 Benzo(b)fluoranthene 205-99-2|Benzo(b)fluoranthene|2,3-Benzfluoranthene|2,3-Benzofluoranthene|2,3-Benzofluoranthrene|205-911-9|3,4-Benz(e)acephenanthrylene|3,4-Benz[e]acephenanthrylene|3,4-Benzfluoranthene|3,4-Benzofluoranthene|B(b)F|Benz(e)acephenanthrylen|benz(e)acephenanthrylene|Benz[e]acephenanthrylene|Benzo(b)flluoranthene|benzo(e)acefenantrileno|benzo(e)acephenanthrylene|Benzo(e)fluoranthene|Benzo[b]fluoranthene|Benzo[e]fluoranthene|BF|BRN 1872553|EC No.: 205-911-9|EINECS 205-911-9|NSC 89265|UNII-FJO154KG1X|858790-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023907 https://doi.org/10.22427/NTP-DATA-DTXSID0023907
ERPathway2016 ERPathway2016_382 Benzo(b)fluoranthene 205-99-2 DTXSID0023907 A13 ER Pathway Model, Antagonist AC50 54.98326557162 uM C1=CC=C2C(=C1)C1=CC=CC3=C4C=CC=CC4=CC2=C13 Benzo(b)fluoranthene 205-99-2|Benzo(b)fluoranthene|2,3-Benzfluoranthene|2,3-Benzofluoranthene|2,3-Benzofluoranthrene|205-911-9|3,4-Benz(e)acephenanthrylene|3,4-Benz[e]acephenanthrylene|3,4-Benzfluoranthene|3,4-Benzofluoranthene|B(b)F|Benz(e)acephenanthrylen|benz(e)acephenanthrylene|Benz[e]acephenanthrylene|Benzo(b)flluoranthene|benzo(e)acefenantrileno|benzo(e)acephenanthrylene|Benzo(e)fluoranthene|Benzo[b]fluoranthene|Benzo[e]fluoranthene|BF|BRN 1872553|EC No.: 205-911-9|EINECS 205-911-9|NSC 89265|UNII-FJO154KG1X|858790-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023907 https://doi.org/10.22427/NTP-DATA-DTXSID0023907
ERPathway2016 ERPathway2016_382 Benzo(b)fluoranthene 205-99-2 DTXSID0023907 A13 ER Pathway Model, Antagonist ACC 54.6657781986682 uM C1=CC=C2C(=C1)C1=CC=CC3=C4C=CC=CC4=CC2=C13 Benzo(b)fluoranthene 205-99-2|Benzo(b)fluoranthene|2,3-Benzfluoranthene|2,3-Benzofluoranthene|2,3-Benzofluoranthrene|205-911-9|3,4-Benz(e)acephenanthrylene|3,4-Benz[e]acephenanthrylene|3,4-Benzfluoranthene|3,4-Benzofluoranthene|B(b)F|Benz(e)acephenanthrylen|benz(e)acephenanthrylene|Benz[e]acephenanthrylene|Benzo(b)flluoranthene|benzo(e)acefenantrileno|benzo(e)acephenanthrylene|Benzo(e)fluoranthene|Benzo[b]fluoranthene|Benzo[e]fluoranthene|BF|BRN 1872553|EC No.: 205-911-9|EINECS 205-911-9|NSC 89265|UNII-FJO154KG1X|858790-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023907 https://doi.org/10.22427/NTP-DATA-DTXSID0023907
ERPathway2016 ERPathway2016_382 Benzo(b)fluoranthene 205-99-2 DTXSID0023907 A13 ER Pathway Model, Agonist Model Score 0.012 Unitless C1=CC=C2C(=C1)C1=CC=CC3=C4C=CC=CC4=CC2=C13 Benzo(b)fluoranthene 205-99-2|Benzo(b)fluoranthene|2,3-Benzfluoranthene|2,3-Benzofluoranthene|2,3-Benzofluoranthrene|205-911-9|3,4-Benz(e)acephenanthrylene|3,4-Benz[e]acephenanthrylene|3,4-Benzfluoranthene|3,4-Benzofluoranthene|B(b)F|Benz(e)acephenanthrylen|benz(e)acephenanthrylene|Benz[e]acephenanthrylene|Benzo(b)flluoranthene|benzo(e)acefenantrileno|benzo(e)acephenanthrylene|Benzo(e)fluoranthene|Benzo[b]fluoranthene|Benzo[e]fluoranthene|BF|BRN 1872553|EC No.: 205-911-9|EINECS 205-911-9|NSC 89265|UNII-FJO154KG1X|858790-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023907 https://doi.org/10.22427/NTP-DATA-DTXSID0023907
ERPathway2016 ERPathway2016_382 Benzo(b)fluoranthene 205-99-2 DTXSID0023907 A13 ER Pathway Model, Antagonist Model Score 0 Unitless C1=CC=C2C(=C1)C1=CC=CC3=C4C=CC=CC4=CC2=C13 Benzo(b)fluoranthene 205-99-2|Benzo(b)fluoranthene|2,3-Benzfluoranthene|2,3-Benzofluoranthene|2,3-Benzofluoranthrene|205-911-9|3,4-Benz(e)acephenanthrylene|3,4-Benz[e]acephenanthrylene|3,4-Benzfluoranthene|3,4-Benzofluoranthene|B(b)F|Benz(e)acephenanthrylen|benz(e)acephenanthrylene|Benz[e]acephenanthrylene|Benzo(b)flluoranthene|benzo(e)acefenantrileno|benzo(e)acephenanthrylene|Benzo(e)fluoranthene|Benzo[b]fluoranthene|Benzo[e]fluoranthene|BF|BRN 1872553|EC No.: 205-911-9|EINECS 205-911-9|NSC 89265|UNII-FJO154KG1X|858790-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023907 https://doi.org/10.22427/NTP-DATA-DTXSID0023907
ERPathway2016 ERPathway2016_382 Benzo(b)fluoranthene 205-99-2 DTXSID0023907 A13 ER Pathway Model, Agonist Call Inactive Unitless C1=CC=C2C(=C1)C1=CC=CC3=C4C=CC=CC4=CC2=C13 Benzo(b)fluoranthene 205-99-2|Benzo(b)fluoranthene|2,3-Benzfluoranthene|2,3-Benzofluoranthene|2,3-Benzofluoranthrene|205-911-9|3,4-Benz(e)acephenanthrylene|3,4-Benz[e]acephenanthrylene|3,4-Benzfluoranthene|3,4-Benzofluoranthene|B(b)F|Benz(e)acephenanthrylen|benz(e)acephenanthrylene|Benz[e]acephenanthrylene|Benzo(b)flluoranthene|benzo(e)acefenantrileno|benzo(e)acephenanthrylene|Benzo(e)fluoranthene|Benzo[b]fluoranthene|Benzo[e]fluoranthene|BF|BRN 1872553|EC No.: 205-911-9|EINECS 205-911-9|NSC 89265|UNII-FJO154KG1X|858790-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023907 https://doi.org/10.22427/NTP-DATA-DTXSID0023907
ERPathway2016 ERPathway2016_382 Benzo(b)fluoranthene 205-99-2 DTXSID0023907 A13 ER Pathway Model, Antagonist Call Active Unitless C1=CC=C2C(=C1)C1=CC=CC3=C4C=CC=CC4=CC2=C13 Benzo(b)fluoranthene 205-99-2|Benzo(b)fluoranthene|2,3-Benzfluoranthene|2,3-Benzofluoranthene|2,3-Benzofluoranthrene|205-911-9|3,4-Benz(e)acephenanthrylene|3,4-Benz[e]acephenanthrylene|3,4-Benzfluoranthene|3,4-Benzofluoranthene|B(b)F|Benz(e)acephenanthrylen|benz(e)acephenanthrylene|Benz[e]acephenanthrylene|Benzo(b)flluoranthene|benzo(e)acefenantrileno|benzo(e)acephenanthrylene|Benzo(e)fluoranthene|Benzo[b]fluoranthene|Benzo[e]fluoranthene|BF|BRN 1872553|EC No.: 205-911-9|EINECS 205-911-9|NSC 89265|UNII-FJO154KG1X|858790-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023907 https://doi.org/10.22427/NTP-DATA-DTXSID0023907
ARPathway2016 ARPathway2016_1735 Benzocaine 94-09-7 DTXSID8021804 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1=CC=C(N)C=C1 Benzocaine 94-09-7|Benzocaine|(p-(Ethoxycarbonyl)phenylamine|4-(Ethoxycarbonyl)aniline|4-(Ethoxycarbonyl)phenylamine|4-14-00-01129|4-AMINOBENZOESAEURE-AETHYLESTER|4-Aminobenzoic acid ethyl ester|4-Aminobenzoic acid, ethyl ester|4-Carbethoxyaniline|Aethoform|Aethylium paraminobenzoicum|Amben ethyl ester|Americaine|Anaesthan-syngala|Anaesthesin|Anaesthesinum|Anaesthin|Anbesol|Anestezin|Anesthesin|Anesthesine|Anesthone|Baby Anbesol|Benzoak|BENZOATE, 4-AMINO-, ETHYL|Benzocain|benzocaina|Benzocainum|Benzoic acid, 4-amino-, ethyl ester|Benzoic acid, p-amino-, ethyl ester|BRN 0638434|Caswell No. 430A|Chloraseptic|Diet Ayds|EINECS 202-303-5|EPA Pesticide Chemical Code 097001|Et-PABA|Ethoform|Ethoforme|Ethyl 4-aminobenzoate|Ethyl aminobenzoate|Ethyl p-aminobenzenecarboxylate|Ethyl p-aminobenzoate|Ethyl p-aminophenylcarboxylate|Ethylester kyseliny p-aminobenzoove|Ethylis aminobenzoas|Finafta|Gingicaine|Hurricaine|Identhesin|Keloform|Norcain|Norcaine|Norcainum|NSC 41531|NSC 4688|Ora-jel|Orabase-B|Orthesin|Otocain|p-(Ethoxycarbonyl)aniline|p-Aminoben|1865741-16-7|71123-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021804
ARPathway2016 ARPathway2016_1735 Benzocaine 94-09-7 DTXSID8021804 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1=CC=C(N)C=C1 Benzocaine 94-09-7|Benzocaine|(p-(Ethoxycarbonyl)phenylamine|4-(Ethoxycarbonyl)aniline|4-(Ethoxycarbonyl)phenylamine|4-14-00-01129|4-AMINOBENZOESAEURE-AETHYLESTER|4-Aminobenzoic acid ethyl ester|4-Aminobenzoic acid, ethyl ester|4-Carbethoxyaniline|Aethoform|Aethylium paraminobenzoicum|Amben ethyl ester|Americaine|Anaesthan-syngala|Anaesthesin|Anaesthesinum|Anaesthin|Anbesol|Anestezin|Anesthesin|Anesthesine|Anesthone|Baby Anbesol|Benzoak|BENZOATE, 4-AMINO-, ETHYL|Benzocain|benzocaina|Benzocainum|Benzoic acid, 4-amino-, ethyl ester|Benzoic acid, p-amino-, ethyl ester|BRN 0638434|Caswell No. 430A|Chloraseptic|Diet Ayds|EINECS 202-303-5|EPA Pesticide Chemical Code 097001|Et-PABA|Ethoform|Ethoforme|Ethyl 4-aminobenzoate|Ethyl aminobenzoate|Ethyl p-aminobenzenecarboxylate|Ethyl p-aminobenzoate|Ethyl p-aminophenylcarboxylate|Ethylester kyseliny p-aminobenzoove|Ethylis aminobenzoas|Finafta|Gingicaine|Hurricaine|Identhesin|Keloform|Norcain|Norcaine|Norcainum|NSC 41531|NSC 4688|Ora-jel|Orabase-B|Orthesin|Otocain|p-(Ethoxycarbonyl)aniline|p-Aminoben|1865741-16-7|71123-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021804
ARPathway2016 ARPathway2016_1735 Benzocaine 94-09-7 DTXSID8021804 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1=CC=C(N)C=C1 Benzocaine 94-09-7|Benzocaine|(p-(Ethoxycarbonyl)phenylamine|4-(Ethoxycarbonyl)aniline|4-(Ethoxycarbonyl)phenylamine|4-14-00-01129|4-AMINOBENZOESAEURE-AETHYLESTER|4-Aminobenzoic acid ethyl ester|4-Aminobenzoic acid, ethyl ester|4-Carbethoxyaniline|Aethoform|Aethylium paraminobenzoicum|Amben ethyl ester|Americaine|Anaesthan-syngala|Anaesthesin|Anaesthesinum|Anaesthin|Anbesol|Anestezin|Anesthesin|Anesthesine|Anesthone|Baby Anbesol|Benzoak|BENZOATE, 4-AMINO-, ETHYL|Benzocain|benzocaina|Benzocainum|Benzoic acid, 4-amino-, ethyl ester|Benzoic acid, p-amino-, ethyl ester|BRN 0638434|Caswell No. 430A|Chloraseptic|Diet Ayds|EINECS 202-303-5|EPA Pesticide Chemical Code 097001|Et-PABA|Ethoform|Ethoforme|Ethyl 4-aminobenzoate|Ethyl aminobenzoate|Ethyl p-aminobenzenecarboxylate|Ethyl p-aminobenzoate|Ethyl p-aminophenylcarboxylate|Ethylester kyseliny p-aminobenzoove|Ethylis aminobenzoas|Finafta|Gingicaine|Hurricaine|Identhesin|Keloform|Norcain|Norcaine|Norcainum|NSC 41531|NSC 4688|Ora-jel|Orabase-B|Orthesin|Otocain|p-(Ethoxycarbonyl)aniline|p-Aminoben|1865741-16-7|71123-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021804
ARPathway2016 ARPathway2016_1735 Benzocaine 94-09-7 DTXSID8021804 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1=CC=C(N)C=C1 Benzocaine 94-09-7|Benzocaine|(p-(Ethoxycarbonyl)phenylamine|4-(Ethoxycarbonyl)aniline|4-(Ethoxycarbonyl)phenylamine|4-14-00-01129|4-AMINOBENZOESAEURE-AETHYLESTER|4-Aminobenzoic acid ethyl ester|4-Aminobenzoic acid, ethyl ester|4-Carbethoxyaniline|Aethoform|Aethylium paraminobenzoicum|Amben ethyl ester|Americaine|Anaesthan-syngala|Anaesthesin|Anaesthesinum|Anaesthin|Anbesol|Anestezin|Anesthesin|Anesthesine|Anesthone|Baby Anbesol|Benzoak|BENZOATE, 4-AMINO-, ETHYL|Benzocain|benzocaina|Benzocainum|Benzoic acid, 4-amino-, ethyl ester|Benzoic acid, p-amino-, ethyl ester|BRN 0638434|Caswell No. 430A|Chloraseptic|Diet Ayds|EINECS 202-303-5|EPA Pesticide Chemical Code 097001|Et-PABA|Ethoform|Ethoforme|Ethyl 4-aminobenzoate|Ethyl aminobenzoate|Ethyl p-aminobenzenecarboxylate|Ethyl p-aminobenzoate|Ethyl p-aminophenylcarboxylate|Ethylester kyseliny p-aminobenzoove|Ethylis aminobenzoas|Finafta|Gingicaine|Hurricaine|Identhesin|Keloform|Norcain|Norcaine|Norcainum|NSC 41531|NSC 4688|Ora-jel|Orabase-B|Orthesin|Otocain|p-(Ethoxycarbonyl)aniline|p-Aminoben|1865741-16-7|71123-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021804
ERPathway2016 ERPathway2016_693 Benzocaine 94-09-7 DTXSID8021804 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1=CC=C(N)C=C1 Benzocaine 94-09-7|Benzocaine|(p-(Ethoxycarbonyl)phenylamine|4-(Ethoxycarbonyl)aniline|4-(Ethoxycarbonyl)phenylamine|4-14-00-01129|4-AMINOBENZOESAEURE-AETHYLESTER|4-Aminobenzoic acid ethyl ester|4-Aminobenzoic acid, ethyl ester|4-Carbethoxyaniline|Aethoform|Aethylium paraminobenzoicum|Amben ethyl ester|Americaine|Anaesthan-syngala|Anaesthesin|Anaesthesinum|Anaesthin|Anbesol|Anestezin|Anesthesin|Anesthesine|Anesthone|Baby Anbesol|Benzoak|BENZOATE, 4-AMINO-, ETHYL|Benzocain|benzocaina|Benzocainum|Benzoic acid, 4-amino-, ethyl ester|Benzoic acid, p-amino-, ethyl ester|BRN 0638434|Caswell No. 430A|Chloraseptic|Diet Ayds|EINECS 202-303-5|EPA Pesticide Chemical Code 097001|Et-PABA|Ethoform|Ethoforme|Ethyl 4-aminobenzoate|Ethyl aminobenzoate|Ethyl p-aminobenzenecarboxylate|Ethyl p-aminobenzoate|Ethyl p-aminophenylcarboxylate|Ethylester kyseliny p-aminobenzoove|Ethylis aminobenzoas|Finafta|Gingicaine|Hurricaine|Identhesin|Keloform|Norcain|Norcaine|Norcainum|NSC 41531|NSC 4688|Ora-jel|Orabase-B|Orthesin|Otocain|p-(Ethoxycarbonyl)aniline|p-Aminoben|1865741-16-7|71123-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021804
ERPathway2016 ERPathway2016_693 Benzocaine 94-09-7 DTXSID8021804 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1=CC=C(N)C=C1 Benzocaine 94-09-7|Benzocaine|(p-(Ethoxycarbonyl)phenylamine|4-(Ethoxycarbonyl)aniline|4-(Ethoxycarbonyl)phenylamine|4-14-00-01129|4-AMINOBENZOESAEURE-AETHYLESTER|4-Aminobenzoic acid ethyl ester|4-Aminobenzoic acid, ethyl ester|4-Carbethoxyaniline|Aethoform|Aethylium paraminobenzoicum|Amben ethyl ester|Americaine|Anaesthan-syngala|Anaesthesin|Anaesthesinum|Anaesthin|Anbesol|Anestezin|Anesthesin|Anesthesine|Anesthone|Baby Anbesol|Benzoak|BENZOATE, 4-AMINO-, ETHYL|Benzocain|benzocaina|Benzocainum|Benzoic acid, 4-amino-, ethyl ester|Benzoic acid, p-amino-, ethyl ester|BRN 0638434|Caswell No. 430A|Chloraseptic|Diet Ayds|EINECS 202-303-5|EPA Pesticide Chemical Code 097001|Et-PABA|Ethoform|Ethoforme|Ethyl 4-aminobenzoate|Ethyl aminobenzoate|Ethyl p-aminobenzenecarboxylate|Ethyl p-aminobenzoate|Ethyl p-aminophenylcarboxylate|Ethylester kyseliny p-aminobenzoove|Ethylis aminobenzoas|Finafta|Gingicaine|Hurricaine|Identhesin|Keloform|Norcain|Norcaine|Norcainum|NSC 41531|NSC 4688|Ora-jel|Orabase-B|Orthesin|Otocain|p-(Ethoxycarbonyl)aniline|p-Aminoben|1865741-16-7|71123-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021804
ERPathway2016 ERPathway2016_693 Benzocaine 94-09-7 DTXSID8021804 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1=CC=C(N)C=C1 Benzocaine 94-09-7|Benzocaine|(p-(Ethoxycarbonyl)phenylamine|4-(Ethoxycarbonyl)aniline|4-(Ethoxycarbonyl)phenylamine|4-14-00-01129|4-AMINOBENZOESAEURE-AETHYLESTER|4-Aminobenzoic acid ethyl ester|4-Aminobenzoic acid, ethyl ester|4-Carbethoxyaniline|Aethoform|Aethylium paraminobenzoicum|Amben ethyl ester|Americaine|Anaesthan-syngala|Anaesthesin|Anaesthesinum|Anaesthin|Anbesol|Anestezin|Anesthesin|Anesthesine|Anesthone|Baby Anbesol|Benzoak|BENZOATE, 4-AMINO-, ETHYL|Benzocain|benzocaina|Benzocainum|Benzoic acid, 4-amino-, ethyl ester|Benzoic acid, p-amino-, ethyl ester|BRN 0638434|Caswell No. 430A|Chloraseptic|Diet Ayds|EINECS 202-303-5|EPA Pesticide Chemical Code 097001|Et-PABA|Ethoform|Ethoforme|Ethyl 4-aminobenzoate|Ethyl aminobenzoate|Ethyl p-aminobenzenecarboxylate|Ethyl p-aminobenzoate|Ethyl p-aminophenylcarboxylate|Ethylester kyseliny p-aminobenzoove|Ethylis aminobenzoas|Finafta|Gingicaine|Hurricaine|Identhesin|Keloform|Norcain|Norcaine|Norcainum|NSC 41531|NSC 4688|Ora-jel|Orabase-B|Orthesin|Otocain|p-(Ethoxycarbonyl)aniline|p-Aminoben|1865741-16-7|71123-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021804
ERPathway2016 ERPathway2016_693 Benzocaine 94-09-7 DTXSID8021804 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1=CC=C(N)C=C1 Benzocaine 94-09-7|Benzocaine|(p-(Ethoxycarbonyl)phenylamine|4-(Ethoxycarbonyl)aniline|4-(Ethoxycarbonyl)phenylamine|4-14-00-01129|4-AMINOBENZOESAEURE-AETHYLESTER|4-Aminobenzoic acid ethyl ester|4-Aminobenzoic acid, ethyl ester|4-Carbethoxyaniline|Aethoform|Aethylium paraminobenzoicum|Amben ethyl ester|Americaine|Anaesthan-syngala|Anaesthesin|Anaesthesinum|Anaesthin|Anbesol|Anestezin|Anesthesin|Anesthesine|Anesthone|Baby Anbesol|Benzoak|BENZOATE, 4-AMINO-, ETHYL|Benzocain|benzocaina|Benzocainum|Benzoic acid, 4-amino-, ethyl ester|Benzoic acid, p-amino-, ethyl ester|BRN 0638434|Caswell No. 430A|Chloraseptic|Diet Ayds|EINECS 202-303-5|EPA Pesticide Chemical Code 097001|Et-PABA|Ethoform|Ethoforme|Ethyl 4-aminobenzoate|Ethyl aminobenzoate|Ethyl p-aminobenzenecarboxylate|Ethyl p-aminobenzoate|Ethyl p-aminophenylcarboxylate|Ethylester kyseliny p-aminobenzoove|Ethylis aminobenzoas|Finafta|Gingicaine|Hurricaine|Identhesin|Keloform|Norcain|Norcaine|Norcainum|NSC 41531|NSC 4688|Ora-jel|Orabase-B|Orthesin|Otocain|p-(Ethoxycarbonyl)aniline|p-Aminoben|1865741-16-7|71123-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021804
ARPathway2016 ARPathway2016_1453 Benzoic acid 65-85-0 DTXSID6020143 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC=CC=C1 Benzoic acid 65-85-0|Benzoic acid|Acide benzoique|acido benzoico|Aromatic carboxylic acid|Benzenecarboxylate|Benzenecarboxylic acid|Benzeneformate|Benzeneformic acid|Benzenemethanoate|Benzenemethanoic acid|Benzenemethonic acid|Benzoate|BENZOESAEURE|Benzoesaeure GK|Benzoesaeure GV|Benzoesaure|Benzoic acid sodium salt|Benzoic acid, tech.|Carboxybenzene|Caswell No. 081|Diacylate|Diacylic acid|Dracylate|Dracylic acid|E210|EINECS 200-618-2|EPA Pesticide Chemical Code 009101|FEMA No. 2131|Flowers of benjamin|Flowers of benzoin|Kyselina benzoova|Menno-Florades|NSC 149|Oracylic acid|Phenyl carboxylic acid|Phenylcarboxylate|Phenylcarboxylic acid|Phenylformate|Phenylformic acid|Purox B|Retarder BA|Retardex|Salvo liquid|Tenn-Plas|UNII-8SKN0B0MIM|Unisept BZA|331473-08-6|8013-63-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020143 https://doi.org/10.22427/NTP-DATA-DTXSID6020143
ARPathway2016 ARPathway2016_1453 Benzoic acid 65-85-0 DTXSID6020143 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC=CC=C1 Benzoic acid 65-85-0|Benzoic acid|Acide benzoique|acido benzoico|Aromatic carboxylic acid|Benzenecarboxylate|Benzenecarboxylic acid|Benzeneformate|Benzeneformic acid|Benzenemethanoate|Benzenemethanoic acid|Benzenemethonic acid|Benzoate|BENZOESAEURE|Benzoesaeure GK|Benzoesaeure GV|Benzoesaure|Benzoic acid sodium salt|Benzoic acid, tech.|Carboxybenzene|Caswell No. 081|Diacylate|Diacylic acid|Dracylate|Dracylic acid|E210|EINECS 200-618-2|EPA Pesticide Chemical Code 009101|FEMA No. 2131|Flowers of benjamin|Flowers of benzoin|Kyselina benzoova|Menno-Florades|NSC 149|Oracylic acid|Phenyl carboxylic acid|Phenylcarboxylate|Phenylcarboxylic acid|Phenylformate|Phenylformic acid|Purox B|Retarder BA|Retardex|Salvo liquid|Tenn-Plas|UNII-8SKN0B0MIM|Unisept BZA|331473-08-6|8013-63-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020143 https://doi.org/10.22427/NTP-DATA-DTXSID6020143
ARPathway2016 ARPathway2016_1453 Benzoic acid 65-85-0 DTXSID6020143 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC=CC=C1 Benzoic acid 65-85-0|Benzoic acid|Acide benzoique|acido benzoico|Aromatic carboxylic acid|Benzenecarboxylate|Benzenecarboxylic acid|Benzeneformate|Benzeneformic acid|Benzenemethanoate|Benzenemethanoic acid|Benzenemethonic acid|Benzoate|BENZOESAEURE|Benzoesaeure GK|Benzoesaeure GV|Benzoesaure|Benzoic acid sodium salt|Benzoic acid, tech.|Carboxybenzene|Caswell No. 081|Diacylate|Diacylic acid|Dracylate|Dracylic acid|E210|EINECS 200-618-2|EPA Pesticide Chemical Code 009101|FEMA No. 2131|Flowers of benjamin|Flowers of benzoin|Kyselina benzoova|Menno-Florades|NSC 149|Oracylic acid|Phenyl carboxylic acid|Phenylcarboxylate|Phenylcarboxylic acid|Phenylformate|Phenylformic acid|Purox B|Retarder BA|Retardex|Salvo liquid|Tenn-Plas|UNII-8SKN0B0MIM|Unisept BZA|331473-08-6|8013-63-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020143 https://doi.org/10.22427/NTP-DATA-DTXSID6020143
ARPathway2016 ARPathway2016_1453 Benzoic acid 65-85-0 DTXSID6020143 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC=CC=C1 Benzoic acid 65-85-0|Benzoic acid|Acide benzoique|acido benzoico|Aromatic carboxylic acid|Benzenecarboxylate|Benzenecarboxylic acid|Benzeneformate|Benzeneformic acid|Benzenemethanoate|Benzenemethanoic acid|Benzenemethonic acid|Benzoate|BENZOESAEURE|Benzoesaeure GK|Benzoesaeure GV|Benzoesaure|Benzoic acid sodium salt|Benzoic acid, tech.|Carboxybenzene|Caswell No. 081|Diacylate|Diacylic acid|Dracylate|Dracylic acid|E210|EINECS 200-618-2|EPA Pesticide Chemical Code 009101|FEMA No. 2131|Flowers of benjamin|Flowers of benzoin|Kyselina benzoova|Menno-Florades|NSC 149|Oracylic acid|Phenyl carboxylic acid|Phenylcarboxylate|Phenylcarboxylic acid|Phenylformate|Phenylformic acid|Purox B|Retarder BA|Retardex|Salvo liquid|Tenn-Plas|UNII-8SKN0B0MIM|Unisept BZA|331473-08-6|8013-63-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020143 https://doi.org/10.22427/NTP-DATA-DTXSID6020143
ERPathway2016 ERPathway2016_1601 Benzoic acid 65-85-0 DTXSID6020143 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC=CC=C1 Benzoic acid 65-85-0|Benzoic acid|Acide benzoique|acido benzoico|Aromatic carboxylic acid|Benzenecarboxylate|Benzenecarboxylic acid|Benzeneformate|Benzeneformic acid|Benzenemethanoate|Benzenemethanoic acid|Benzenemethonic acid|Benzoate|BENZOESAEURE|Benzoesaeure GK|Benzoesaeure GV|Benzoesaure|Benzoic acid sodium salt|Benzoic acid, tech.|Carboxybenzene|Caswell No. 081|Diacylate|Diacylic acid|Dracylate|Dracylic acid|E210|EINECS 200-618-2|EPA Pesticide Chemical Code 009101|FEMA No. 2131|Flowers of benjamin|Flowers of benzoin|Kyselina benzoova|Menno-Florades|NSC 149|Oracylic acid|Phenyl carboxylic acid|Phenylcarboxylate|Phenylcarboxylic acid|Phenylformate|Phenylformic acid|Purox B|Retarder BA|Retardex|Salvo liquid|Tenn-Plas|UNII-8SKN0B0MIM|Unisept BZA|331473-08-6|8013-63-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020143 https://doi.org/10.22427/NTP-DATA-DTXSID6020143
ERPathway2016 ERPathway2016_1601 Benzoic acid 65-85-0 DTXSID6020143 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC=CC=C1 Benzoic acid 65-85-0|Benzoic acid|Acide benzoique|acido benzoico|Aromatic carboxylic acid|Benzenecarboxylate|Benzenecarboxylic acid|Benzeneformate|Benzeneformic acid|Benzenemethanoate|Benzenemethanoic acid|Benzenemethonic acid|Benzoate|BENZOESAEURE|Benzoesaeure GK|Benzoesaeure GV|Benzoesaure|Benzoic acid sodium salt|Benzoic acid, tech.|Carboxybenzene|Caswell No. 081|Diacylate|Diacylic acid|Dracylate|Dracylic acid|E210|EINECS 200-618-2|EPA Pesticide Chemical Code 009101|FEMA No. 2131|Flowers of benjamin|Flowers of benzoin|Kyselina benzoova|Menno-Florades|NSC 149|Oracylic acid|Phenyl carboxylic acid|Phenylcarboxylate|Phenylcarboxylic acid|Phenylformate|Phenylformic acid|Purox B|Retarder BA|Retardex|Salvo liquid|Tenn-Plas|UNII-8SKN0B0MIM|Unisept BZA|331473-08-6|8013-63-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020143 https://doi.org/10.22427/NTP-DATA-DTXSID6020143
ERPathway2016 ERPathway2016_1601 Benzoic acid 65-85-0 DTXSID6020143 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC=CC=C1 Benzoic acid 65-85-0|Benzoic acid|Acide benzoique|acido benzoico|Aromatic carboxylic acid|Benzenecarboxylate|Benzenecarboxylic acid|Benzeneformate|Benzeneformic acid|Benzenemethanoate|Benzenemethanoic acid|Benzenemethonic acid|Benzoate|BENZOESAEURE|Benzoesaeure GK|Benzoesaeure GV|Benzoesaure|Benzoic acid sodium salt|Benzoic acid, tech.|Carboxybenzene|Caswell No. 081|Diacylate|Diacylic acid|Dracylate|Dracylic acid|E210|EINECS 200-618-2|EPA Pesticide Chemical Code 009101|FEMA No. 2131|Flowers of benjamin|Flowers of benzoin|Kyselina benzoova|Menno-Florades|NSC 149|Oracylic acid|Phenyl carboxylic acid|Phenylcarboxylate|Phenylcarboxylic acid|Phenylformate|Phenylformic acid|Purox B|Retarder BA|Retardex|Salvo liquid|Tenn-Plas|UNII-8SKN0B0MIM|Unisept BZA|331473-08-6|8013-63-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020143 https://doi.org/10.22427/NTP-DATA-DTXSID6020143
ERPathway2016 ERPathway2016_1601 Benzoic acid 65-85-0 DTXSID6020143 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC=CC=C1 Benzoic acid 65-85-0|Benzoic acid|Acide benzoique|acido benzoico|Aromatic carboxylic acid|Benzenecarboxylate|Benzenecarboxylic acid|Benzeneformate|Benzeneformic acid|Benzenemethanoate|Benzenemethanoic acid|Benzenemethonic acid|Benzoate|BENZOESAEURE|Benzoesaeure GK|Benzoesaeure GV|Benzoesaure|Benzoic acid sodium salt|Benzoic acid, tech.|Carboxybenzene|Caswell No. 081|Diacylate|Diacylic acid|Dracylate|Dracylic acid|E210|EINECS 200-618-2|EPA Pesticide Chemical Code 009101|FEMA No. 2131|Flowers of benjamin|Flowers of benzoin|Kyselina benzoova|Menno-Florades|NSC 149|Oracylic acid|Phenyl carboxylic acid|Phenylcarboxylate|Phenylcarboxylic acid|Phenylformate|Phenylformic acid|Purox B|Retarder BA|Retardex|Salvo liquid|Tenn-Plas|UNII-8SKN0B0MIM|Unisept BZA|331473-08-6|8013-63-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020143 https://doi.org/10.22427/NTP-DATA-DTXSID6020143
ARPathway2016 ARPathway2016_660 Benzoin 119-53-9 DTXSID1020144 1.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 Benzoin 119-53-9|Benzoin|(.+-.)-2-Hydroxy-1,2-diphenylethanone|(.+-.)-2-Hydroxy-2-phenylacetophenone|(.+-.)-Benzoin|(+-)-Benzoin|(RS)-Benzoin|1,2-Diphenyl-1-hydroxy-2-ethanone|1,2-Diphenyl-2-hydroxyethanone|1,2-Diphenyl-2-oxoethanol|2-Hydroxy-1,2-diphenyl-1-ethanone|2-Hydroxy-1,2-diphenylethan-1-one|2-Hydroxy-1,2-diphenylethanone|2-Hydroxy-2-phenylacetophenone|4-08-00-01279|ACETOPHENONE, 2-HYDROXY-2-PHENYL-|Aerozoin|alpha-Hydroxy-alpha-phenylacetophenone|alpha-Hydroxybenzyl phenyl ketone|BENZOIN, (+/-)|benzoina|Benzoine|Benzoylphenylcarbinol|Bitter almond oil camphor|Bitter-almond-oil camphor|BRN 0391839|Desyl alcohol|dl-Benzoin|EINECS 204-331-3|EINECS 209-441-5|Ethanone, 2-hydroxy-1,2-diphenyl-|FEMA No. 2132|Fenyl-alpha-hydroxybenzylketon|Hydroxy-2-phenyl acetophenone|Ketone, alpha-hydroxybenzyl phenyl|NCI-C50011|Nisso Cure MB|NSC 8082|PhCH(OH)COPh|PhCOCH(OH)Ph|Phenyl-alpha-hydroxybenzyl ketone|Phenylbenzoyl carbinol|a-Benzoylbenzenemethanol|a-Hydroxy-a-phenylacetophenone|a-Hydroxybenzyl phenyl ketone|579-44-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020144 https://doi.org/10.22427/NTP-DATA-DTXSID1020144
ARPathway2016 ARPathway2016_660 Benzoin 119-53-9 DTXSID1020144 1.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 Benzoin 119-53-9|Benzoin|(.+-.)-2-Hydroxy-1,2-diphenylethanone|(.+-.)-2-Hydroxy-2-phenylacetophenone|(.+-.)-Benzoin|(+-)-Benzoin|(RS)-Benzoin|1,2-Diphenyl-1-hydroxy-2-ethanone|1,2-Diphenyl-2-hydroxyethanone|1,2-Diphenyl-2-oxoethanol|2-Hydroxy-1,2-diphenyl-1-ethanone|2-Hydroxy-1,2-diphenylethan-1-one|2-Hydroxy-1,2-diphenylethanone|2-Hydroxy-2-phenylacetophenone|4-08-00-01279|ACETOPHENONE, 2-HYDROXY-2-PHENYL-|Aerozoin|alpha-Hydroxy-alpha-phenylacetophenone|alpha-Hydroxybenzyl phenyl ketone|BENZOIN, (+/-)|benzoina|Benzoine|Benzoylphenylcarbinol|Bitter almond oil camphor|Bitter-almond-oil camphor|BRN 0391839|Desyl alcohol|dl-Benzoin|EINECS 204-331-3|EINECS 209-441-5|Ethanone, 2-hydroxy-1,2-diphenyl-|FEMA No. 2132|Fenyl-alpha-hydroxybenzylketon|Hydroxy-2-phenyl acetophenone|Ketone, alpha-hydroxybenzyl phenyl|NCI-C50011|Nisso Cure MB|NSC 8082|PhCH(OH)COPh|PhCOCH(OH)Ph|Phenyl-alpha-hydroxybenzyl ketone|Phenylbenzoyl carbinol|a-Benzoylbenzenemethanol|a-Hydroxy-a-phenylacetophenone|a-Hydroxybenzyl phenyl ketone|579-44-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020144 https://doi.org/10.22427/NTP-DATA-DTXSID1020144
ARPathway2016 ARPathway2016_660 Benzoin 119-53-9 DTXSID1020144 1.0 A5 AR Pathway Model, Agonist Call Inactive Unitless OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 Benzoin 119-53-9|Benzoin|(.+-.)-2-Hydroxy-1,2-diphenylethanone|(.+-.)-2-Hydroxy-2-phenylacetophenone|(.+-.)-Benzoin|(+-)-Benzoin|(RS)-Benzoin|1,2-Diphenyl-1-hydroxy-2-ethanone|1,2-Diphenyl-2-hydroxyethanone|1,2-Diphenyl-2-oxoethanol|2-Hydroxy-1,2-diphenyl-1-ethanone|2-Hydroxy-1,2-diphenylethan-1-one|2-Hydroxy-1,2-diphenylethanone|2-Hydroxy-2-phenylacetophenone|4-08-00-01279|ACETOPHENONE, 2-HYDROXY-2-PHENYL-|Aerozoin|alpha-Hydroxy-alpha-phenylacetophenone|alpha-Hydroxybenzyl phenyl ketone|BENZOIN, (+/-)|benzoina|Benzoine|Benzoylphenylcarbinol|Bitter almond oil camphor|Bitter-almond-oil camphor|BRN 0391839|Desyl alcohol|dl-Benzoin|EINECS 204-331-3|EINECS 209-441-5|Ethanone, 2-hydroxy-1,2-diphenyl-|FEMA No. 2132|Fenyl-alpha-hydroxybenzylketon|Hydroxy-2-phenyl acetophenone|Ketone, alpha-hydroxybenzyl phenyl|NCI-C50011|Nisso Cure MB|NSC 8082|PhCH(OH)COPh|PhCOCH(OH)Ph|Phenyl-alpha-hydroxybenzyl ketone|Phenylbenzoyl carbinol|a-Benzoylbenzenemethanol|a-Hydroxy-a-phenylacetophenone|a-Hydroxybenzyl phenyl ketone|579-44-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020144 https://doi.org/10.22427/NTP-DATA-DTXSID1020144
ARPathway2016 ARPathway2016_660 Benzoin 119-53-9 DTXSID1020144 1.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 Benzoin 119-53-9|Benzoin|(.+-.)-2-Hydroxy-1,2-diphenylethanone|(.+-.)-2-Hydroxy-2-phenylacetophenone|(.+-.)-Benzoin|(+-)-Benzoin|(RS)-Benzoin|1,2-Diphenyl-1-hydroxy-2-ethanone|1,2-Diphenyl-2-hydroxyethanone|1,2-Diphenyl-2-oxoethanol|2-Hydroxy-1,2-diphenyl-1-ethanone|2-Hydroxy-1,2-diphenylethan-1-one|2-Hydroxy-1,2-diphenylethanone|2-Hydroxy-2-phenylacetophenone|4-08-00-01279|ACETOPHENONE, 2-HYDROXY-2-PHENYL-|Aerozoin|alpha-Hydroxy-alpha-phenylacetophenone|alpha-Hydroxybenzyl phenyl ketone|BENZOIN, (+/-)|benzoina|Benzoine|Benzoylphenylcarbinol|Bitter almond oil camphor|Bitter-almond-oil camphor|BRN 0391839|Desyl alcohol|dl-Benzoin|EINECS 204-331-3|EINECS 209-441-5|Ethanone, 2-hydroxy-1,2-diphenyl-|FEMA No. 2132|Fenyl-alpha-hydroxybenzylketon|Hydroxy-2-phenyl acetophenone|Ketone, alpha-hydroxybenzyl phenyl|NCI-C50011|Nisso Cure MB|NSC 8082|PhCH(OH)COPh|PhCOCH(OH)Ph|Phenyl-alpha-hydroxybenzyl ketone|Phenylbenzoyl carbinol|a-Benzoylbenzenemethanol|a-Hydroxy-a-phenylacetophenone|a-Hydroxybenzyl phenyl ketone|579-44-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020144 https://doi.org/10.22427/NTP-DATA-DTXSID1020144
ERPathway2016 ERPathway2016_1205 Benzoin 119-53-9 DTXSID1020144 ER Pathway Model, Agonist Model Score 0 Unitless OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 Benzoin 119-53-9|Benzoin|(.+-.)-2-Hydroxy-1,2-diphenylethanone|(.+-.)-2-Hydroxy-2-phenylacetophenone|(.+-.)-Benzoin|(+-)-Benzoin|(RS)-Benzoin|1,2-Diphenyl-1-hydroxy-2-ethanone|1,2-Diphenyl-2-hydroxyethanone|1,2-Diphenyl-2-oxoethanol|2-Hydroxy-1,2-diphenyl-1-ethanone|2-Hydroxy-1,2-diphenylethan-1-one|2-Hydroxy-1,2-diphenylethanone|2-Hydroxy-2-phenylacetophenone|4-08-00-01279|ACETOPHENONE, 2-HYDROXY-2-PHENYL-|Aerozoin|alpha-Hydroxy-alpha-phenylacetophenone|alpha-Hydroxybenzyl phenyl ketone|BENZOIN, (+/-)|benzoina|Benzoine|Benzoylphenylcarbinol|Bitter almond oil camphor|Bitter-almond-oil camphor|BRN 0391839|Desyl alcohol|dl-Benzoin|EINECS 204-331-3|EINECS 209-441-5|Ethanone, 2-hydroxy-1,2-diphenyl-|FEMA No. 2132|Fenyl-alpha-hydroxybenzylketon|Hydroxy-2-phenyl acetophenone|Ketone, alpha-hydroxybenzyl phenyl|NCI-C50011|Nisso Cure MB|NSC 8082|PhCH(OH)COPh|PhCOCH(OH)Ph|Phenyl-alpha-hydroxybenzyl ketone|Phenylbenzoyl carbinol|a-Benzoylbenzenemethanol|a-Hydroxy-a-phenylacetophenone|a-Hydroxybenzyl phenyl ketone|579-44-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020144 https://doi.org/10.22427/NTP-DATA-DTXSID1020144
ERPathway2016 ERPathway2016_1205 Benzoin 119-53-9 DTXSID1020144 ER Pathway Model, Antagonist Model Score 0 Unitless OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 Benzoin 119-53-9|Benzoin|(.+-.)-2-Hydroxy-1,2-diphenylethanone|(.+-.)-2-Hydroxy-2-phenylacetophenone|(.+-.)-Benzoin|(+-)-Benzoin|(RS)-Benzoin|1,2-Diphenyl-1-hydroxy-2-ethanone|1,2-Diphenyl-2-hydroxyethanone|1,2-Diphenyl-2-oxoethanol|2-Hydroxy-1,2-diphenyl-1-ethanone|2-Hydroxy-1,2-diphenylethan-1-one|2-Hydroxy-1,2-diphenylethanone|2-Hydroxy-2-phenylacetophenone|4-08-00-01279|ACETOPHENONE, 2-HYDROXY-2-PHENYL-|Aerozoin|alpha-Hydroxy-alpha-phenylacetophenone|alpha-Hydroxybenzyl phenyl ketone|BENZOIN, (+/-)|benzoina|Benzoine|Benzoylphenylcarbinol|Bitter almond oil camphor|Bitter-almond-oil camphor|BRN 0391839|Desyl alcohol|dl-Benzoin|EINECS 204-331-3|EINECS 209-441-5|Ethanone, 2-hydroxy-1,2-diphenyl-|FEMA No. 2132|Fenyl-alpha-hydroxybenzylketon|Hydroxy-2-phenyl acetophenone|Ketone, alpha-hydroxybenzyl phenyl|NCI-C50011|Nisso Cure MB|NSC 8082|PhCH(OH)COPh|PhCOCH(OH)Ph|Phenyl-alpha-hydroxybenzyl ketone|Phenylbenzoyl carbinol|a-Benzoylbenzenemethanol|a-Hydroxy-a-phenylacetophenone|a-Hydroxybenzyl phenyl ketone|579-44-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020144 https://doi.org/10.22427/NTP-DATA-DTXSID1020144
ERPathway2016 ERPathway2016_1205 Benzoin 119-53-9 DTXSID1020144 ER Pathway Model, Agonist Call Inactive Unitless OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 Benzoin 119-53-9|Benzoin|(.+-.)-2-Hydroxy-1,2-diphenylethanone|(.+-.)-2-Hydroxy-2-phenylacetophenone|(.+-.)-Benzoin|(+-)-Benzoin|(RS)-Benzoin|1,2-Diphenyl-1-hydroxy-2-ethanone|1,2-Diphenyl-2-hydroxyethanone|1,2-Diphenyl-2-oxoethanol|2-Hydroxy-1,2-diphenyl-1-ethanone|2-Hydroxy-1,2-diphenylethan-1-one|2-Hydroxy-1,2-diphenylethanone|2-Hydroxy-2-phenylacetophenone|4-08-00-01279|ACETOPHENONE, 2-HYDROXY-2-PHENYL-|Aerozoin|alpha-Hydroxy-alpha-phenylacetophenone|alpha-Hydroxybenzyl phenyl ketone|BENZOIN, (+/-)|benzoina|Benzoine|Benzoylphenylcarbinol|Bitter almond oil camphor|Bitter-almond-oil camphor|BRN 0391839|Desyl alcohol|dl-Benzoin|EINECS 204-331-3|EINECS 209-441-5|Ethanone, 2-hydroxy-1,2-diphenyl-|FEMA No. 2132|Fenyl-alpha-hydroxybenzylketon|Hydroxy-2-phenyl acetophenone|Ketone, alpha-hydroxybenzyl phenyl|NCI-C50011|Nisso Cure MB|NSC 8082|PhCH(OH)COPh|PhCOCH(OH)Ph|Phenyl-alpha-hydroxybenzyl ketone|Phenylbenzoyl carbinol|a-Benzoylbenzenemethanol|a-Hydroxy-a-phenylacetophenone|a-Hydroxybenzyl phenyl ketone|579-44-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020144 https://doi.org/10.22427/NTP-DATA-DTXSID1020144
ERPathway2016 ERPathway2016_1205 Benzoin 119-53-9 DTXSID1020144 ER Pathway Model, Antagonist Call Inactive Unitless OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 Benzoin 119-53-9|Benzoin|(.+-.)-2-Hydroxy-1,2-diphenylethanone|(.+-.)-2-Hydroxy-2-phenylacetophenone|(.+-.)-Benzoin|(+-)-Benzoin|(RS)-Benzoin|1,2-Diphenyl-1-hydroxy-2-ethanone|1,2-Diphenyl-2-hydroxyethanone|1,2-Diphenyl-2-oxoethanol|2-Hydroxy-1,2-diphenyl-1-ethanone|2-Hydroxy-1,2-diphenylethan-1-one|2-Hydroxy-1,2-diphenylethanone|2-Hydroxy-2-phenylacetophenone|4-08-00-01279|ACETOPHENONE, 2-HYDROXY-2-PHENYL-|Aerozoin|alpha-Hydroxy-alpha-phenylacetophenone|alpha-Hydroxybenzyl phenyl ketone|BENZOIN, (+/-)|benzoina|Benzoine|Benzoylphenylcarbinol|Bitter almond oil camphor|Bitter-almond-oil camphor|BRN 0391839|Desyl alcohol|dl-Benzoin|EINECS 204-331-3|EINECS 209-441-5|Ethanone, 2-hydroxy-1,2-diphenyl-|FEMA No. 2132|Fenyl-alpha-hydroxybenzylketon|Hydroxy-2-phenyl acetophenone|Ketone, alpha-hydroxybenzyl phenyl|NCI-C50011|Nisso Cure MB|NSC 8082|PhCH(OH)COPh|PhCOCH(OH)Ph|Phenyl-alpha-hydroxybenzyl ketone|Phenylbenzoyl carbinol|a-Benzoylbenzenemethanol|a-Hydroxy-a-phenylacetophenone|a-Hydroxybenzyl phenyl ketone|579-44-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020144 https://doi.org/10.22427/NTP-DATA-DTXSID1020144
ARPathway2016 ARPathway2016_661 Benzophenone 119-61-9 DTXSID0021961 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C(C1=CC=CC=C1)C1=CC=CC=C1 Benzophenone 119-61-9|Benzophenone|1dzp|A-Oxodiphenylmethane|A-Oxoditane|Adjutan 6016|ADK STAB 1413|alpha -oxodiphenylmethane|alpha -oxoditane|alpha-Oxodiphenylmethane|alpha-Oxoditane|Benzene, benzoyl-|benzofenona|Benzopheneone|Benzophenon|BENZOPHENONE (8CI)|Benzophenone (diphenyl-ketone)|Benzoyl-Benzene|Benzoylbenzene|BP-1|BP-3|BZQ|Caswell No. 081G|Darocur BP|Di(phenyl)methanone|Diphenyl ketone|Diphenyl-methanon|Diphenyl-Methanone|Diphenylketone|Diphenylmethanone|Diphenylmethanone, 9CI|EINECS 204-337-6|EPA Pesticide Chemical Code 000315|FEMA 2134|FEMA No. 2134|Kayacure BP|Kayacure BP 100|Ketone, diphenyl|Methanone, diphenyl|Methanone, diphenyl-|METHANONE, DIPHENYL- (9CI)|NSC 8077|Ph2CO|Phenyl ketone|Speedcure BP|UNII-701M4TTV9O|a-Oxodiphenylmethane|a-Oxoditane|1711678-21-5|445389-89-9|852361-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021961 https://doi.org/10.22427/NTP-DATA-DTXSID0021961
ARPathway2016 ARPathway2016_661 Benzophenone 119-61-9 DTXSID0021961 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C(C1=CC=CC=C1)C1=CC=CC=C1 Benzophenone 119-61-9|Benzophenone|1dzp|A-Oxodiphenylmethane|A-Oxoditane|Adjutan 6016|ADK STAB 1413|alpha -oxodiphenylmethane|alpha -oxoditane|alpha-Oxodiphenylmethane|alpha-Oxoditane|Benzene, benzoyl-|benzofenona|Benzopheneone|Benzophenon|BENZOPHENONE (8CI)|Benzophenone (diphenyl-ketone)|Benzoyl-Benzene|Benzoylbenzene|BP-1|BP-3|BZQ|Caswell No. 081G|Darocur BP|Di(phenyl)methanone|Diphenyl ketone|Diphenyl-methanon|Diphenyl-Methanone|Diphenylketone|Diphenylmethanone|Diphenylmethanone, 9CI|EINECS 204-337-6|EPA Pesticide Chemical Code 000315|FEMA 2134|FEMA No. 2134|Kayacure BP|Kayacure BP 100|Ketone, diphenyl|Methanone, diphenyl|Methanone, diphenyl-|METHANONE, DIPHENYL- (9CI)|NSC 8077|Ph2CO|Phenyl ketone|Speedcure BP|UNII-701M4TTV9O|a-Oxodiphenylmethane|a-Oxoditane|1711678-21-5|445389-89-9|852361-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021961 https://doi.org/10.22427/NTP-DATA-DTXSID0021961
ARPathway2016 ARPathway2016_661 Benzophenone 119-61-9 DTXSID0021961 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C(C1=CC=CC=C1)C1=CC=CC=C1 Benzophenone 119-61-9|Benzophenone|1dzp|A-Oxodiphenylmethane|A-Oxoditane|Adjutan 6016|ADK STAB 1413|alpha -oxodiphenylmethane|alpha -oxoditane|alpha-Oxodiphenylmethane|alpha-Oxoditane|Benzene, benzoyl-|benzofenona|Benzopheneone|Benzophenon|BENZOPHENONE (8CI)|Benzophenone (diphenyl-ketone)|Benzoyl-Benzene|Benzoylbenzene|BP-1|BP-3|BZQ|Caswell No. 081G|Darocur BP|Di(phenyl)methanone|Diphenyl ketone|Diphenyl-methanon|Diphenyl-Methanone|Diphenylketone|Diphenylmethanone|Diphenylmethanone, 9CI|EINECS 204-337-6|EPA Pesticide Chemical Code 000315|FEMA 2134|FEMA No. 2134|Kayacure BP|Kayacure BP 100|Ketone, diphenyl|Methanone, diphenyl|Methanone, diphenyl-|METHANONE, DIPHENYL- (9CI)|NSC 8077|Ph2CO|Phenyl ketone|Speedcure BP|UNII-701M4TTV9O|a-Oxodiphenylmethane|a-Oxoditane|1711678-21-5|445389-89-9|852361-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021961 https://doi.org/10.22427/NTP-DATA-DTXSID0021961
ARPathway2016 ARPathway2016_661 Benzophenone 119-61-9 DTXSID0021961 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C(C1=CC=CC=C1)C1=CC=CC=C1 Benzophenone 119-61-9|Benzophenone|1dzp|A-Oxodiphenylmethane|A-Oxoditane|Adjutan 6016|ADK STAB 1413|alpha -oxodiphenylmethane|alpha -oxoditane|alpha-Oxodiphenylmethane|alpha-Oxoditane|Benzene, benzoyl-|benzofenona|Benzopheneone|Benzophenon|BENZOPHENONE (8CI)|Benzophenone (diphenyl-ketone)|Benzoyl-Benzene|Benzoylbenzene|BP-1|BP-3|BZQ|Caswell No. 081G|Darocur BP|Di(phenyl)methanone|Diphenyl ketone|Diphenyl-methanon|Diphenyl-Methanone|Diphenylketone|Diphenylmethanone|Diphenylmethanone, 9CI|EINECS 204-337-6|EPA Pesticide Chemical Code 000315|FEMA 2134|FEMA No. 2134|Kayacure BP|Kayacure BP 100|Ketone, diphenyl|Methanone, diphenyl|Methanone, diphenyl-|METHANONE, DIPHENYL- (9CI)|NSC 8077|Ph2CO|Phenyl ketone|Speedcure BP|UNII-701M4TTV9O|a-Oxodiphenylmethane|a-Oxoditane|1711678-21-5|445389-89-9|852361-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021961 https://doi.org/10.22427/NTP-DATA-DTXSID0021961
ERPathway2016 ERPathway2016_292 Benzophenone 119-61-9 DTXSID0021961 ER Pathway Model, Antagonist AC50 48.9096765124865 uM O=C(C1=CC=CC=C1)C1=CC=CC=C1 Benzophenone 119-61-9|Benzophenone|1dzp|A-Oxodiphenylmethane|A-Oxoditane|Adjutan 6016|ADK STAB 1413|alpha -oxodiphenylmethane|alpha -oxoditane|alpha-Oxodiphenylmethane|alpha-Oxoditane|Benzene, benzoyl-|benzofenona|Benzopheneone|Benzophenon|BENZOPHENONE (8CI)|Benzophenone (diphenyl-ketone)|Benzoyl-Benzene|Benzoylbenzene|BP-1|BP-3|BZQ|Caswell No. 081G|Darocur BP|Di(phenyl)methanone|Diphenyl ketone|Diphenyl-methanon|Diphenyl-Methanone|Diphenylketone|Diphenylmethanone|Diphenylmethanone, 9CI|EINECS 204-337-6|EPA Pesticide Chemical Code 000315|FEMA 2134|FEMA No. 2134|Kayacure BP|Kayacure BP 100|Ketone, diphenyl|Methanone, diphenyl|Methanone, diphenyl-|METHANONE, DIPHENYL- (9CI)|NSC 8077|Ph2CO|Phenyl ketone|Speedcure BP|UNII-701M4TTV9O|a-Oxodiphenylmethane|a-Oxoditane|1711678-21-5|445389-89-9|852361-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021961 https://doi.org/10.22427/NTP-DATA-DTXSID0021961
ERPathway2016 ERPathway2016_292 Benzophenone 119-61-9 DTXSID0021961 ER Pathway Model, Antagonist ACC 32.7989859636198 uM O=C(C1=CC=CC=C1)C1=CC=CC=C1 Benzophenone 119-61-9|Benzophenone|1dzp|A-Oxodiphenylmethane|A-Oxoditane|Adjutan 6016|ADK STAB 1413|alpha -oxodiphenylmethane|alpha -oxoditane|alpha-Oxodiphenylmethane|alpha-Oxoditane|Benzene, benzoyl-|benzofenona|Benzopheneone|Benzophenon|BENZOPHENONE (8CI)|Benzophenone (diphenyl-ketone)|Benzoyl-Benzene|Benzoylbenzene|BP-1|BP-3|BZQ|Caswell No. 081G|Darocur BP|Di(phenyl)methanone|Diphenyl ketone|Diphenyl-methanon|Diphenyl-Methanone|Diphenylketone|Diphenylmethanone|Diphenylmethanone, 9CI|EINECS 204-337-6|EPA Pesticide Chemical Code 000315|FEMA 2134|FEMA No. 2134|Kayacure BP|Kayacure BP 100|Ketone, diphenyl|Methanone, diphenyl|Methanone, diphenyl-|METHANONE, DIPHENYL- (9CI)|NSC 8077|Ph2CO|Phenyl ketone|Speedcure BP|UNII-701M4TTV9O|a-Oxodiphenylmethane|a-Oxoditane|1711678-21-5|445389-89-9|852361-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021961 https://doi.org/10.22427/NTP-DATA-DTXSID0021961
ERPathway2016 ERPathway2016_292 Benzophenone 119-61-9 DTXSID0021961 ER Pathway Model, Agonist Model Score 0.04 Unitless O=C(C1=CC=CC=C1)C1=CC=CC=C1 Benzophenone 119-61-9|Benzophenone|1dzp|A-Oxodiphenylmethane|A-Oxoditane|Adjutan 6016|ADK STAB 1413|alpha -oxodiphenylmethane|alpha -oxoditane|alpha-Oxodiphenylmethane|alpha-Oxoditane|Benzene, benzoyl-|benzofenona|Benzopheneone|Benzophenon|BENZOPHENONE (8CI)|Benzophenone (diphenyl-ketone)|Benzoyl-Benzene|Benzoylbenzene|BP-1|BP-3|BZQ|Caswell No. 081G|Darocur BP|Di(phenyl)methanone|Diphenyl ketone|Diphenyl-methanon|Diphenyl-Methanone|Diphenylketone|Diphenylmethanone|Diphenylmethanone, 9CI|EINECS 204-337-6|EPA Pesticide Chemical Code 000315|FEMA 2134|FEMA No. 2134|Kayacure BP|Kayacure BP 100|Ketone, diphenyl|Methanone, diphenyl|Methanone, diphenyl-|METHANONE, DIPHENYL- (9CI)|NSC 8077|Ph2CO|Phenyl ketone|Speedcure BP|UNII-701M4TTV9O|a-Oxodiphenylmethane|a-Oxoditane|1711678-21-5|445389-89-9|852361-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021961 https://doi.org/10.22427/NTP-DATA-DTXSID0021961
ERPathway2016 ERPathway2016_292 Benzophenone 119-61-9 DTXSID0021961 ER Pathway Model, Antagonist Model Score 0 Unitless O=C(C1=CC=CC=C1)C1=CC=CC=C1 Benzophenone 119-61-9|Benzophenone|1dzp|A-Oxodiphenylmethane|A-Oxoditane|Adjutan 6016|ADK STAB 1413|alpha -oxodiphenylmethane|alpha -oxoditane|alpha-Oxodiphenylmethane|alpha-Oxoditane|Benzene, benzoyl-|benzofenona|Benzopheneone|Benzophenon|BENZOPHENONE (8CI)|Benzophenone (diphenyl-ketone)|Benzoyl-Benzene|Benzoylbenzene|BP-1|BP-3|BZQ|Caswell No. 081G|Darocur BP|Di(phenyl)methanone|Diphenyl ketone|Diphenyl-methanon|Diphenyl-Methanone|Diphenylketone|Diphenylmethanone|Diphenylmethanone, 9CI|EINECS 204-337-6|EPA Pesticide Chemical Code 000315|FEMA 2134|FEMA No. 2134|Kayacure BP|Kayacure BP 100|Ketone, diphenyl|Methanone, diphenyl|Methanone, diphenyl-|METHANONE, DIPHENYL- (9CI)|NSC 8077|Ph2CO|Phenyl ketone|Speedcure BP|UNII-701M4TTV9O|a-Oxodiphenylmethane|a-Oxoditane|1711678-21-5|445389-89-9|852361-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021961 https://doi.org/10.22427/NTP-DATA-DTXSID0021961
ERPathway2016 ERPathway2016_292 Benzophenone 119-61-9 DTXSID0021961 ER Pathway Model, Agonist Call Inactive Unitless O=C(C1=CC=CC=C1)C1=CC=CC=C1 Benzophenone 119-61-9|Benzophenone|1dzp|A-Oxodiphenylmethane|A-Oxoditane|Adjutan 6016|ADK STAB 1413|alpha -oxodiphenylmethane|alpha -oxoditane|alpha-Oxodiphenylmethane|alpha-Oxoditane|Benzene, benzoyl-|benzofenona|Benzopheneone|Benzophenon|BENZOPHENONE (8CI)|Benzophenone (diphenyl-ketone)|Benzoyl-Benzene|Benzoylbenzene|BP-1|BP-3|BZQ|Caswell No. 081G|Darocur BP|Di(phenyl)methanone|Diphenyl ketone|Diphenyl-methanon|Diphenyl-Methanone|Diphenylketone|Diphenylmethanone|Diphenylmethanone, 9CI|EINECS 204-337-6|EPA Pesticide Chemical Code 000315|FEMA 2134|FEMA No. 2134|Kayacure BP|Kayacure BP 100|Ketone, diphenyl|Methanone, diphenyl|Methanone, diphenyl-|METHANONE, DIPHENYL- (9CI)|NSC 8077|Ph2CO|Phenyl ketone|Speedcure BP|UNII-701M4TTV9O|a-Oxodiphenylmethane|a-Oxoditane|1711678-21-5|445389-89-9|852361-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021961 https://doi.org/10.22427/NTP-DATA-DTXSID0021961
ERPathway2016 ERPathway2016_292 Benzophenone 119-61-9 DTXSID0021961 ER Pathway Model, Antagonist Call Active Unitless O=C(C1=CC=CC=C1)C1=CC=CC=C1 Benzophenone 119-61-9|Benzophenone|1dzp|A-Oxodiphenylmethane|A-Oxoditane|Adjutan 6016|ADK STAB 1413|alpha -oxodiphenylmethane|alpha -oxoditane|alpha-Oxodiphenylmethane|alpha-Oxoditane|Benzene, benzoyl-|benzofenona|Benzopheneone|Benzophenon|BENZOPHENONE (8CI)|Benzophenone (diphenyl-ketone)|Benzoyl-Benzene|Benzoylbenzene|BP-1|BP-3|BZQ|Caswell No. 081G|Darocur BP|Di(phenyl)methanone|Diphenyl ketone|Diphenyl-methanon|Diphenyl-Methanone|Diphenylketone|Diphenylmethanone|Diphenylmethanone, 9CI|EINECS 204-337-6|EPA Pesticide Chemical Code 000315|FEMA 2134|FEMA No. 2134|Kayacure BP|Kayacure BP 100|Ketone, diphenyl|Methanone, diphenyl|Methanone, diphenyl-|METHANONE, DIPHENYL- (9CI)|NSC 8077|Ph2CO|Phenyl ketone|Speedcure BP|UNII-701M4TTV9O|a-Oxodiphenylmethane|a-Oxoditane|1711678-21-5|445389-89-9|852361-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021961 https://doi.org/10.22427/NTP-DATA-DTXSID0021961
ARPathway2016 ARPathway2016_1756 Benzothiazole 95-16-9 DTXSID7024586 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless S1C=NC2=CC=CC=C12 Benzothiazole 95-16-9|Benzothiazole|1-Thia-3-azaindene|4-27-00-01069|BENZOSULFONAZOLE|Benzothiazol|benzotiazol|BRN 0109468|BT|EINECS 202-396-2|FEMA No. 3256|FEMA Number 3256|NSC 8040|UNII-G5BW2593EP|USAF EK-4812|Vangard BT|128366-28-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024586 https://doi.org/10.22427/NTP-DATA-DTXSID7024586
ARPathway2016 ARPathway2016_1756 Benzothiazole 95-16-9 DTXSID7024586 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless S1C=NC2=CC=CC=C12 Benzothiazole 95-16-9|Benzothiazole|1-Thia-3-azaindene|4-27-00-01069|BENZOSULFONAZOLE|Benzothiazol|benzotiazol|BRN 0109468|BT|EINECS 202-396-2|FEMA No. 3256|FEMA Number 3256|NSC 8040|UNII-G5BW2593EP|USAF EK-4812|Vangard BT|128366-28-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024586 https://doi.org/10.22427/NTP-DATA-DTXSID7024586
ARPathway2016 ARPathway2016_1756 Benzothiazole 95-16-9 DTXSID7024586 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless S1C=NC2=CC=CC=C12 Benzothiazole 95-16-9|Benzothiazole|1-Thia-3-azaindene|4-27-00-01069|BENZOSULFONAZOLE|Benzothiazol|benzotiazol|BRN 0109468|BT|EINECS 202-396-2|FEMA No. 3256|FEMA Number 3256|NSC 8040|UNII-G5BW2593EP|USAF EK-4812|Vangard BT|128366-28-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024586 https://doi.org/10.22427/NTP-DATA-DTXSID7024586
ARPathway2016 ARPathway2016_1756 Benzothiazole 95-16-9 DTXSID7024586 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless S1C=NC2=CC=CC=C12 Benzothiazole 95-16-9|Benzothiazole|1-Thia-3-azaindene|4-27-00-01069|BENZOSULFONAZOLE|Benzothiazol|benzotiazol|BRN 0109468|BT|EINECS 202-396-2|FEMA No. 3256|FEMA Number 3256|NSC 8040|UNII-G5BW2593EP|USAF EK-4812|Vangard BT|128366-28-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024586 https://doi.org/10.22427/NTP-DATA-DTXSID7024586
ERPathway2016 ERPathway2016_1763 Benzothiazole 95-16-9 DTXSID7024586 ER Pathway Model, Agonist Model Score 0 Unitless S1C=NC2=CC=CC=C12 Benzothiazole 95-16-9|Benzothiazole|1-Thia-3-azaindene|4-27-00-01069|BENZOSULFONAZOLE|Benzothiazol|benzotiazol|BRN 0109468|BT|EINECS 202-396-2|FEMA No. 3256|FEMA Number 3256|NSC 8040|UNII-G5BW2593EP|USAF EK-4812|Vangard BT|128366-28-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024586 https://doi.org/10.22427/NTP-DATA-DTXSID7024586
ERPathway2016 ERPathway2016_1763 Benzothiazole 95-16-9 DTXSID7024586 ER Pathway Model, Antagonist Model Score 0 Unitless S1C=NC2=CC=CC=C12 Benzothiazole 95-16-9|Benzothiazole|1-Thia-3-azaindene|4-27-00-01069|BENZOSULFONAZOLE|Benzothiazol|benzotiazol|BRN 0109468|BT|EINECS 202-396-2|FEMA No. 3256|FEMA Number 3256|NSC 8040|UNII-G5BW2593EP|USAF EK-4812|Vangard BT|128366-28-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024586 https://doi.org/10.22427/NTP-DATA-DTXSID7024586
ERPathway2016 ERPathway2016_1763 Benzothiazole 95-16-9 DTXSID7024586 ER Pathway Model, Agonist Call Inactive Unitless S1C=NC2=CC=CC=C12 Benzothiazole 95-16-9|Benzothiazole|1-Thia-3-azaindene|4-27-00-01069|BENZOSULFONAZOLE|Benzothiazol|benzotiazol|BRN 0109468|BT|EINECS 202-396-2|FEMA No. 3256|FEMA Number 3256|NSC 8040|UNII-G5BW2593EP|USAF EK-4812|Vangard BT|128366-28-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024586 https://doi.org/10.22427/NTP-DATA-DTXSID7024586
ERPathway2016 ERPathway2016_1763 Benzothiazole 95-16-9 DTXSID7024586 ER Pathway Model, Antagonist Call Inactive Unitless S1C=NC2=CC=CC=C12 Benzothiazole 95-16-9|Benzothiazole|1-Thia-3-azaindene|4-27-00-01069|BENZOSULFONAZOLE|Benzothiazol|benzotiazol|BRN 0109468|BT|EINECS 202-396-2|FEMA No. 3256|FEMA Number 3256|NSC 8040|UNII-G5BW2593EP|USAF EK-4812|Vangard BT|128366-28-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024586 https://doi.org/10.22427/NTP-DATA-DTXSID7024586
ARPathway2016 ARPathway2016_1797 Benzotrichloride 98-07-7 DTXSID1020148 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC(Cl)(Cl)C1=CC=CC=C1 Benzotrichloride 98-07-7|Benzotrichloride|(Trichloromethyl)benzene|1-(Trichloromethyl)benzene|4-05-00-00820|Benzene, (trichloromethyl)-|Benzenyl chloride|Benzenyl trichloride|Benzoic trichloride|Benzotricloruro|Benzyl trichloride|Benzylidyne chloride|BRN 0508152|Chlorure de benzenyle|Chlorure de benzylidyne|EINECS 202-634-5|NSC 14663|Phenyl chloroform|Phenylchloroform|Phenyltrichloromethane|RCRA waste number U023|Toluene trichloride|Toluene, alpha,alpha,alpha,-trichloro-|Toluene, a,a,a-trichloro-|Trichloormethylbenzeen|Trichlormethylbenzol|Trichloromethyl benzene|Trichloromethylbenzene|Trichlorophenylmethane|Triclorometilbenzene|Triclorotoluene|UN 2226|UNII-U62VHG99AM|a-a-a-triclorotolueno|a,a,a-Trichlorotoluene|a,a,a-Trichlortoluol|o,o,o-Trichlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020148 https://doi.org/10.22427/NTP-DATA-DTXSID1020148
ARPathway2016 ARPathway2016_1797 Benzotrichloride 98-07-7 DTXSID1020148 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)(Cl)C1=CC=CC=C1 Benzotrichloride 98-07-7|Benzotrichloride|(Trichloromethyl)benzene|1-(Trichloromethyl)benzene|4-05-00-00820|Benzene, (trichloromethyl)-|Benzenyl chloride|Benzenyl trichloride|Benzoic trichloride|Benzotricloruro|Benzyl trichloride|Benzylidyne chloride|BRN 0508152|Chlorure de benzenyle|Chlorure de benzylidyne|EINECS 202-634-5|NSC 14663|Phenyl chloroform|Phenylchloroform|Phenyltrichloromethane|RCRA waste number U023|Toluene trichloride|Toluene, alpha,alpha,alpha,-trichloro-|Toluene, a,a,a-trichloro-|Trichloormethylbenzeen|Trichlormethylbenzol|Trichloromethyl benzene|Trichloromethylbenzene|Trichlorophenylmethane|Triclorometilbenzene|Triclorotoluene|UN 2226|UNII-U62VHG99AM|a-a-a-triclorotolueno|a,a,a-Trichlorotoluene|a,a,a-Trichlortoluol|o,o,o-Trichlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020148 https://doi.org/10.22427/NTP-DATA-DTXSID1020148
ARPathway2016 ARPathway2016_1797 Benzotrichloride 98-07-7 DTXSID1020148 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC(Cl)(Cl)C1=CC=CC=C1 Benzotrichloride 98-07-7|Benzotrichloride|(Trichloromethyl)benzene|1-(Trichloromethyl)benzene|4-05-00-00820|Benzene, (trichloromethyl)-|Benzenyl chloride|Benzenyl trichloride|Benzoic trichloride|Benzotricloruro|Benzyl trichloride|Benzylidyne chloride|BRN 0508152|Chlorure de benzenyle|Chlorure de benzylidyne|EINECS 202-634-5|NSC 14663|Phenyl chloroform|Phenylchloroform|Phenyltrichloromethane|RCRA waste number U023|Toluene trichloride|Toluene, alpha,alpha,alpha,-trichloro-|Toluene, a,a,a-trichloro-|Trichloormethylbenzeen|Trichlormethylbenzol|Trichloromethyl benzene|Trichloromethylbenzene|Trichlorophenylmethane|Triclorometilbenzene|Triclorotoluene|UN 2226|UNII-U62VHG99AM|a-a-a-triclorotolueno|a,a,a-Trichlorotoluene|a,a,a-Trichlortoluol|o,o,o-Trichlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020148 https://doi.org/10.22427/NTP-DATA-DTXSID1020148
ARPathway2016 ARPathway2016_1797 Benzotrichloride 98-07-7 DTXSID1020148 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)(Cl)C1=CC=CC=C1 Benzotrichloride 98-07-7|Benzotrichloride|(Trichloromethyl)benzene|1-(Trichloromethyl)benzene|4-05-00-00820|Benzene, (trichloromethyl)-|Benzenyl chloride|Benzenyl trichloride|Benzoic trichloride|Benzotricloruro|Benzyl trichloride|Benzylidyne chloride|BRN 0508152|Chlorure de benzenyle|Chlorure de benzylidyne|EINECS 202-634-5|NSC 14663|Phenyl chloroform|Phenylchloroform|Phenyltrichloromethane|RCRA waste number U023|Toluene trichloride|Toluene, alpha,alpha,alpha,-trichloro-|Toluene, a,a,a-trichloro-|Trichloormethylbenzeen|Trichlormethylbenzol|Trichloromethyl benzene|Trichloromethylbenzene|Trichlorophenylmethane|Triclorometilbenzene|Triclorotoluene|UN 2226|UNII-U62VHG99AM|a-a-a-triclorotolueno|a,a,a-Trichlorotoluene|a,a,a-Trichlortoluol|o,o,o-Trichlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020148 https://doi.org/10.22427/NTP-DATA-DTXSID1020148
ERPathway2016 ERPathway2016_915 Benzotrichloride 98-07-7 DTXSID1020148 ER Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)(Cl)C1=CC=CC=C1 Benzotrichloride 98-07-7|Benzotrichloride|(Trichloromethyl)benzene|1-(Trichloromethyl)benzene|4-05-00-00820|Benzene, (trichloromethyl)-|Benzenyl chloride|Benzenyl trichloride|Benzoic trichloride|Benzotricloruro|Benzyl trichloride|Benzylidyne chloride|BRN 0508152|Chlorure de benzenyle|Chlorure de benzylidyne|EINECS 202-634-5|NSC 14663|Phenyl chloroform|Phenylchloroform|Phenyltrichloromethane|RCRA waste number U023|Toluene trichloride|Toluene, alpha,alpha,alpha,-trichloro-|Toluene, a,a,a-trichloro-|Trichloormethylbenzeen|Trichlormethylbenzol|Trichloromethyl benzene|Trichloromethylbenzene|Trichlorophenylmethane|Triclorometilbenzene|Triclorotoluene|UN 2226|UNII-U62VHG99AM|a-a-a-triclorotolueno|a,a,a-Trichlorotoluene|a,a,a-Trichlortoluol|o,o,o-Trichlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020148 https://doi.org/10.22427/NTP-DATA-DTXSID1020148
ERPathway2016 ERPathway2016_915 Benzotrichloride 98-07-7 DTXSID1020148 ER Pathway Model, Antagonist Model Score 0 Unitless ClC(Cl)(Cl)C1=CC=CC=C1 Benzotrichloride 98-07-7|Benzotrichloride|(Trichloromethyl)benzene|1-(Trichloromethyl)benzene|4-05-00-00820|Benzene, (trichloromethyl)-|Benzenyl chloride|Benzenyl trichloride|Benzoic trichloride|Benzotricloruro|Benzyl trichloride|Benzylidyne chloride|BRN 0508152|Chlorure de benzenyle|Chlorure de benzylidyne|EINECS 202-634-5|NSC 14663|Phenyl chloroform|Phenylchloroform|Phenyltrichloromethane|RCRA waste number U023|Toluene trichloride|Toluene, alpha,alpha,alpha,-trichloro-|Toluene, a,a,a-trichloro-|Trichloormethylbenzeen|Trichlormethylbenzol|Trichloromethyl benzene|Trichloromethylbenzene|Trichlorophenylmethane|Triclorometilbenzene|Triclorotoluene|UN 2226|UNII-U62VHG99AM|a-a-a-triclorotolueno|a,a,a-Trichlorotoluene|a,a,a-Trichlortoluol|o,o,o-Trichlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020148 https://doi.org/10.22427/NTP-DATA-DTXSID1020148
ERPathway2016 ERPathway2016_915 Benzotrichloride 98-07-7 DTXSID1020148 ER Pathway Model, Agonist Call Inactive Unitless ClC(Cl)(Cl)C1=CC=CC=C1 Benzotrichloride 98-07-7|Benzotrichloride|(Trichloromethyl)benzene|1-(Trichloromethyl)benzene|4-05-00-00820|Benzene, (trichloromethyl)-|Benzenyl chloride|Benzenyl trichloride|Benzoic trichloride|Benzotricloruro|Benzyl trichloride|Benzylidyne chloride|BRN 0508152|Chlorure de benzenyle|Chlorure de benzylidyne|EINECS 202-634-5|NSC 14663|Phenyl chloroform|Phenylchloroform|Phenyltrichloromethane|RCRA waste number U023|Toluene trichloride|Toluene, alpha,alpha,alpha,-trichloro-|Toluene, a,a,a-trichloro-|Trichloormethylbenzeen|Trichlormethylbenzol|Trichloromethyl benzene|Trichloromethylbenzene|Trichlorophenylmethane|Triclorometilbenzene|Triclorotoluene|UN 2226|UNII-U62VHG99AM|a-a-a-triclorotolueno|a,a,a-Trichlorotoluene|a,a,a-Trichlortoluol|o,o,o-Trichlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020148 https://doi.org/10.22427/NTP-DATA-DTXSID1020148
ERPathway2016 ERPathway2016_915 Benzotrichloride 98-07-7 DTXSID1020148 ER Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)(Cl)C1=CC=CC=C1 Benzotrichloride 98-07-7|Benzotrichloride|(Trichloromethyl)benzene|1-(Trichloromethyl)benzene|4-05-00-00820|Benzene, (trichloromethyl)-|Benzenyl chloride|Benzenyl trichloride|Benzoic trichloride|Benzotricloruro|Benzyl trichloride|Benzylidyne chloride|BRN 0508152|Chlorure de benzenyle|Chlorure de benzylidyne|EINECS 202-634-5|NSC 14663|Phenyl chloroform|Phenylchloroform|Phenyltrichloromethane|RCRA waste number U023|Toluene trichloride|Toluene, alpha,alpha,alpha,-trichloro-|Toluene, a,a,a-trichloro-|Trichloormethylbenzeen|Trichlormethylbenzol|Trichloromethyl benzene|Trichloromethylbenzene|Trichlorophenylmethane|Triclorometilbenzene|Triclorotoluene|UN 2226|UNII-U62VHG99AM|a-a-a-triclorotolueno|a,a,a-Trichlorotoluene|a,a,a-Trichlortoluol|o,o,o-Trichlorotoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020148 https://doi.org/10.22427/NTP-DATA-DTXSID1020148
ARPathway2016 ARPathway2016_1737 Benzyl 4-hydroxybenzoate 94-18-8 DTXSID9022526 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1 Benzyl 4-hydroxybenzoate 94-18-8|Benzyl 4-hydroxybenzoate|Benzoic acid, 4-hydroxy-, phenylmethyl ester|Benzyl 4-hydroxybenzoate|Benzyl parahydroxybenzoate|Benzyl Parasept|Benzyl Tegosept|Benzyl-Parasept|Benzylparaben|EINECS 202-311-9|Nipabenzyl|NSC 8080|p-Hydroxybenzoic acid benzyl ester|Parosept|Solbrol Z|UNII-8Y41DYV4VG https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022526
ARPathway2016 ARPathway2016_1737 Benzyl 4-hydroxybenzoate 94-18-8 DTXSID9022526 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1 Benzyl 4-hydroxybenzoate 94-18-8|Benzyl 4-hydroxybenzoate|Benzoic acid, 4-hydroxy-, phenylmethyl ester|Benzyl 4-hydroxybenzoate|Benzyl parahydroxybenzoate|Benzyl Parasept|Benzyl Tegosept|Benzyl-Parasept|Benzylparaben|EINECS 202-311-9|Nipabenzyl|NSC 8080|p-Hydroxybenzoic acid benzyl ester|Parosept|Solbrol Z|UNII-8Y41DYV4VG https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022526
ARPathway2016 ARPathway2016_1737 Benzyl 4-hydroxybenzoate 94-18-8 DTXSID9022526 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1 Benzyl 4-hydroxybenzoate 94-18-8|Benzyl 4-hydroxybenzoate|Benzoic acid, 4-hydroxy-, phenylmethyl ester|Benzyl 4-hydroxybenzoate|Benzyl parahydroxybenzoate|Benzyl Parasept|Benzyl Tegosept|Benzyl-Parasept|Benzylparaben|EINECS 202-311-9|Nipabenzyl|NSC 8080|p-Hydroxybenzoic acid benzyl ester|Parosept|Solbrol Z|UNII-8Y41DYV4VG https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022526
ARPathway2016 ARPathway2016_1737 Benzyl 4-hydroxybenzoate 94-18-8 DTXSID9022526 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1 Benzyl 4-hydroxybenzoate 94-18-8|Benzyl 4-hydroxybenzoate|Benzoic acid, 4-hydroxy-, phenylmethyl ester|Benzyl 4-hydroxybenzoate|Benzyl parahydroxybenzoate|Benzyl Parasept|Benzyl Tegosept|Benzyl-Parasept|Benzylparaben|EINECS 202-311-9|Nipabenzyl|NSC 8080|p-Hydroxybenzoic acid benzyl ester|Parosept|Solbrol Z|UNII-8Y41DYV4VG https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022526
ERPathway2016 ERPathway2016_195 Benzyl 4-hydroxybenzoate 94-18-8 DTXSID9022526 Agonist ER Pathway Model, Antagonist AC50 5.84189349377303 uM OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1 Benzyl 4-hydroxybenzoate 94-18-8|Benzyl 4-hydroxybenzoate|Benzoic acid, 4-hydroxy-, phenylmethyl ester|Benzyl 4-hydroxybenzoate|Benzyl parahydroxybenzoate|Benzyl Parasept|Benzyl Tegosept|Benzyl-Parasept|Benzylparaben|EINECS 202-311-9|Nipabenzyl|NSC 8080|p-Hydroxybenzoic acid benzyl ester|Parosept|Solbrol Z|UNII-8Y41DYV4VG https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022526
ERPathway2016 ERPathway2016_195 Benzyl 4-hydroxybenzoate 94-18-8 DTXSID9022526 Agonist ER Pathway Model, Antagonist ACC 1.761544913204 uM OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1 Benzyl 4-hydroxybenzoate 94-18-8|Benzyl 4-hydroxybenzoate|Benzoic acid, 4-hydroxy-, phenylmethyl ester|Benzyl 4-hydroxybenzoate|Benzyl parahydroxybenzoate|Benzyl Parasept|Benzyl Tegosept|Benzyl-Parasept|Benzylparaben|EINECS 202-311-9|Nipabenzyl|NSC 8080|p-Hydroxybenzoic acid benzyl ester|Parosept|Solbrol Z|UNII-8Y41DYV4VG https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022526
ERPathway2016 ERPathway2016_195 Benzyl 4-hydroxybenzoate 94-18-8 DTXSID9022526 Agonist ER Pathway Model, Agonist Model Score 0.234 Unitless OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1 Benzyl 4-hydroxybenzoate 94-18-8|Benzyl 4-hydroxybenzoate|Benzoic acid, 4-hydroxy-, phenylmethyl ester|Benzyl 4-hydroxybenzoate|Benzyl parahydroxybenzoate|Benzyl Parasept|Benzyl Tegosept|Benzyl-Parasept|Benzylparaben|EINECS 202-311-9|Nipabenzyl|NSC 8080|p-Hydroxybenzoic acid benzyl ester|Parosept|Solbrol Z|UNII-8Y41DYV4VG https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022526
ERPathway2016 ERPathway2016_195 Benzyl 4-hydroxybenzoate 94-18-8 DTXSID9022526 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1 Benzyl 4-hydroxybenzoate 94-18-8|Benzyl 4-hydroxybenzoate|Benzoic acid, 4-hydroxy-, phenylmethyl ester|Benzyl 4-hydroxybenzoate|Benzyl parahydroxybenzoate|Benzyl Parasept|Benzyl Tegosept|Benzyl-Parasept|Benzylparaben|EINECS 202-311-9|Nipabenzyl|NSC 8080|p-Hydroxybenzoic acid benzyl ester|Parosept|Solbrol Z|UNII-8Y41DYV4VG https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022526
ERPathway2016 ERPathway2016_195 Benzyl 4-hydroxybenzoate 94-18-8 DTXSID9022526 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1 Benzyl 4-hydroxybenzoate 94-18-8|Benzyl 4-hydroxybenzoate|Benzoic acid, 4-hydroxy-, phenylmethyl ester|Benzyl 4-hydroxybenzoate|Benzyl parahydroxybenzoate|Benzyl Parasept|Benzyl Tegosept|Benzyl-Parasept|Benzylparaben|EINECS 202-311-9|Nipabenzyl|NSC 8080|p-Hydroxybenzoic acid benzyl ester|Parosept|Solbrol Z|UNII-8Y41DYV4VG https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022526
ERPathway2016 ERPathway2016_195 Benzyl 4-hydroxybenzoate 94-18-8 DTXSID9022526 Agonist ER Pathway Model, Antagonist Call Active Unitless OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1 Benzyl 4-hydroxybenzoate 94-18-8|Benzyl 4-hydroxybenzoate|Benzoic acid, 4-hydroxy-, phenylmethyl ester|Benzyl 4-hydroxybenzoate|Benzyl parahydroxybenzoate|Benzyl Parasept|Benzyl Tegosept|Benzyl-Parasept|Benzylparaben|EINECS 202-311-9|Nipabenzyl|NSC 8080|p-Hydroxybenzoic acid benzyl ester|Parosept|Solbrol Z|UNII-8Y41DYV4VG https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022526
ARPathway2016 ARPathway2016_826 Benzyl acetate 140-11-4 DTXSID0020151 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OCC1=CC=CC=C1 Benzyl acetate 140-11-4|Benzyl acetate|(Acetoxymethyl)benzene|Acetate de benzyle|ACETATE, BENZYL|acetato de bencilo|Acetic acid benzyl ester|Acetic acid phenylmethyl ester|Acetic acid, benzyl ester|Acetic acid, phenylmethyl ester|alpha-Acetoxytoluene|Benzyl acetate + glycine combination|Benzyl ester of acetic acid|Benzyl ethanoate|Benzylacetat|Benzylester kyseliny octove|Caswell No. 081EA|EINECS 205-399-7|ESSIGSAEURE-BENZYLESTER|FEMA 2135|FEMA No. 2135|Nchem.167-comp5|NCI-C06508|NSC 4550|Phenylmethyl acetate|Phenylmethyl ethanoate|Plastolin I|UNII-0ECG3V79ZJ|a-Acetoxytoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020151 https://doi.org/10.22427/NTP-DATA-DTXSID0020151
ARPathway2016 ARPathway2016_826 Benzyl acetate 140-11-4 DTXSID0020151 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)OCC1=CC=CC=C1 Benzyl acetate 140-11-4|Benzyl acetate|(Acetoxymethyl)benzene|Acetate de benzyle|ACETATE, BENZYL|acetato de bencilo|Acetic acid benzyl ester|Acetic acid phenylmethyl ester|Acetic acid, benzyl ester|Acetic acid, phenylmethyl ester|alpha-Acetoxytoluene|Benzyl acetate + glycine combination|Benzyl ester of acetic acid|Benzyl ethanoate|Benzylacetat|Benzylester kyseliny octove|Caswell No. 081EA|EINECS 205-399-7|ESSIGSAEURE-BENZYLESTER|FEMA 2135|FEMA No. 2135|Nchem.167-comp5|NCI-C06508|NSC 4550|Phenylmethyl acetate|Phenylmethyl ethanoate|Plastolin I|UNII-0ECG3V79ZJ|a-Acetoxytoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020151 https://doi.org/10.22427/NTP-DATA-DTXSID0020151
ARPathway2016 ARPathway2016_826 Benzyl acetate 140-11-4 DTXSID0020151 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)OCC1=CC=CC=C1 Benzyl acetate 140-11-4|Benzyl acetate|(Acetoxymethyl)benzene|Acetate de benzyle|ACETATE, BENZYL|acetato de bencilo|Acetic acid benzyl ester|Acetic acid phenylmethyl ester|Acetic acid, benzyl ester|Acetic acid, phenylmethyl ester|alpha-Acetoxytoluene|Benzyl acetate + glycine combination|Benzyl ester of acetic acid|Benzyl ethanoate|Benzylacetat|Benzylester kyseliny octove|Caswell No. 081EA|EINECS 205-399-7|ESSIGSAEURE-BENZYLESTER|FEMA 2135|FEMA No. 2135|Nchem.167-comp5|NCI-C06508|NSC 4550|Phenylmethyl acetate|Phenylmethyl ethanoate|Plastolin I|UNII-0ECG3V79ZJ|a-Acetoxytoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020151 https://doi.org/10.22427/NTP-DATA-DTXSID0020151
ARPathway2016 ARPathway2016_826 Benzyl acetate 140-11-4 DTXSID0020151 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)OCC1=CC=CC=C1 Benzyl acetate 140-11-4|Benzyl acetate|(Acetoxymethyl)benzene|Acetate de benzyle|ACETATE, BENZYL|acetato de bencilo|Acetic acid benzyl ester|Acetic acid phenylmethyl ester|Acetic acid, benzyl ester|Acetic acid, phenylmethyl ester|alpha-Acetoxytoluene|Benzyl acetate + glycine combination|Benzyl ester of acetic acid|Benzyl ethanoate|Benzylacetat|Benzylester kyseliny octove|Caswell No. 081EA|EINECS 205-399-7|ESSIGSAEURE-BENZYLESTER|FEMA 2135|FEMA No. 2135|Nchem.167-comp5|NCI-C06508|NSC 4550|Phenylmethyl acetate|Phenylmethyl ethanoate|Plastolin I|UNII-0ECG3V79ZJ|a-Acetoxytoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020151 https://doi.org/10.22427/NTP-DATA-DTXSID0020151
ERPathway2016 ERPathway2016_1296 Benzyl acetate 140-11-4 DTXSID0020151 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)OCC1=CC=CC=C1 Benzyl acetate 140-11-4|Benzyl acetate|(Acetoxymethyl)benzene|Acetate de benzyle|ACETATE, BENZYL|acetato de bencilo|Acetic acid benzyl ester|Acetic acid phenylmethyl ester|Acetic acid, benzyl ester|Acetic acid, phenylmethyl ester|alpha-Acetoxytoluene|Benzyl acetate + glycine combination|Benzyl ester of acetic acid|Benzyl ethanoate|Benzylacetat|Benzylester kyseliny octove|Caswell No. 081EA|EINECS 205-399-7|ESSIGSAEURE-BENZYLESTER|FEMA 2135|FEMA No. 2135|Nchem.167-comp5|NCI-C06508|NSC 4550|Phenylmethyl acetate|Phenylmethyl ethanoate|Plastolin I|UNII-0ECG3V79ZJ|a-Acetoxytoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020151 https://doi.org/10.22427/NTP-DATA-DTXSID0020151
ERPathway2016 ERPathway2016_1296 Benzyl acetate 140-11-4 DTXSID0020151 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OCC1=CC=CC=C1 Benzyl acetate 140-11-4|Benzyl acetate|(Acetoxymethyl)benzene|Acetate de benzyle|ACETATE, BENZYL|acetato de bencilo|Acetic acid benzyl ester|Acetic acid phenylmethyl ester|Acetic acid, benzyl ester|Acetic acid, phenylmethyl ester|alpha-Acetoxytoluene|Benzyl acetate + glycine combination|Benzyl ester of acetic acid|Benzyl ethanoate|Benzylacetat|Benzylester kyseliny octove|Caswell No. 081EA|EINECS 205-399-7|ESSIGSAEURE-BENZYLESTER|FEMA 2135|FEMA No. 2135|Nchem.167-comp5|NCI-C06508|NSC 4550|Phenylmethyl acetate|Phenylmethyl ethanoate|Plastolin I|UNII-0ECG3V79ZJ|a-Acetoxytoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020151 https://doi.org/10.22427/NTP-DATA-DTXSID0020151
ERPathway2016 ERPathway2016_1296 Benzyl acetate 140-11-4 DTXSID0020151 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)OCC1=CC=CC=C1 Benzyl acetate 140-11-4|Benzyl acetate|(Acetoxymethyl)benzene|Acetate de benzyle|ACETATE, BENZYL|acetato de bencilo|Acetic acid benzyl ester|Acetic acid phenylmethyl ester|Acetic acid, benzyl ester|Acetic acid, phenylmethyl ester|alpha-Acetoxytoluene|Benzyl acetate + glycine combination|Benzyl ester of acetic acid|Benzyl ethanoate|Benzylacetat|Benzylester kyseliny octove|Caswell No. 081EA|EINECS 205-399-7|ESSIGSAEURE-BENZYLESTER|FEMA 2135|FEMA No. 2135|Nchem.167-comp5|NCI-C06508|NSC 4550|Phenylmethyl acetate|Phenylmethyl ethanoate|Plastolin I|UNII-0ECG3V79ZJ|a-Acetoxytoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020151 https://doi.org/10.22427/NTP-DATA-DTXSID0020151
ERPathway2016 ERPathway2016_1296 Benzyl acetate 140-11-4 DTXSID0020151 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)OCC1=CC=CC=C1 Benzyl acetate 140-11-4|Benzyl acetate|(Acetoxymethyl)benzene|Acetate de benzyle|ACETATE, BENZYL|acetato de bencilo|Acetic acid benzyl ester|Acetic acid phenylmethyl ester|Acetic acid, benzyl ester|Acetic acid, phenylmethyl ester|alpha-Acetoxytoluene|Benzyl acetate + glycine combination|Benzyl ester of acetic acid|Benzyl ethanoate|Benzylacetat|Benzylester kyseliny octove|Caswell No. 081EA|EINECS 205-399-7|ESSIGSAEURE-BENZYLESTER|FEMA 2135|FEMA No. 2135|Nchem.167-comp5|NCI-C06508|NSC 4550|Phenylmethyl acetate|Phenylmethyl ethanoate|Plastolin I|UNII-0ECG3V79ZJ|a-Acetoxytoluene https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020151 https://doi.org/10.22427/NTP-DATA-DTXSID0020151
ARPathway2016 ARPathway2016_399 Benzyl alcohol 100-51-6 DTXSID5020152 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCC1=CC=CC=C1 Benzyl alcohol 100-51-6|Benzyl alcohol|.alpha.-hydroxytoluene|.alpha.-toluenol|(Hydroxymethyl)benzene|4-06-00-02222|a-Hydroxytoluene|a-Toluenol|alcohol bencilico|alcoholum benzylicum|Alcool benzilico|Alcool benzylique|alpha-toluenol|Aromatic alcohol|Aromatic primary alcohol|Bentalol|Benzal alcohol|Benzenecarbinol|Benzenemethanol|Benzenmethanol|Benzolmethanol|Benzoyl alcohol|Benzyl alkohol|Benzyl-alcohol|BENZYLALCOHOL|Benzylalkohol|BENZYLIC ALCOHOL|Benzylicum|BRN 0878307|Caswell No. 081F|EINECS 202-859-9|Enzylalcohol|EPA Pesticide Chemical Code 009502|Euxyl K 100|FEMA No. 2137|Hydroxytoluene|Itch-x|MBN|Methanol benzene|Methanol, phenyl-|NCI-C06111|NSC 8044|Phenolcarbinol|Phenylcarbinol|Phenylcarbinolum|Phenylmethanol|PHENYLMETHANOL-HYDROXYTOLUENE|Phenylmethyl alcohol|Sunmorl BK 20|TB 13G|Ulesfia|UNII-LKG8494WBH|a-Hydroxytoluene|a-Toluenol|1336-27-2|185532-71-2|2263936-23-6|2565578-76-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020152 https://doi.org/10.22427/NTP-DATA-DTXSID5020152
ARPathway2016 ARPathway2016_399 Benzyl alcohol 100-51-6 DTXSID5020152 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCC1=CC=CC=C1 Benzyl alcohol 100-51-6|Benzyl alcohol|.alpha.-hydroxytoluene|.alpha.-toluenol|(Hydroxymethyl)benzene|4-06-00-02222|a-Hydroxytoluene|a-Toluenol|alcohol bencilico|alcoholum benzylicum|Alcool benzilico|Alcool benzylique|alpha-toluenol|Aromatic alcohol|Aromatic primary alcohol|Bentalol|Benzal alcohol|Benzenecarbinol|Benzenemethanol|Benzenmethanol|Benzolmethanol|Benzoyl alcohol|Benzyl alkohol|Benzyl-alcohol|BENZYLALCOHOL|Benzylalkohol|BENZYLIC ALCOHOL|Benzylicum|BRN 0878307|Caswell No. 081F|EINECS 202-859-9|Enzylalcohol|EPA Pesticide Chemical Code 009502|Euxyl K 100|FEMA No. 2137|Hydroxytoluene|Itch-x|MBN|Methanol benzene|Methanol, phenyl-|NCI-C06111|NSC 8044|Phenolcarbinol|Phenylcarbinol|Phenylcarbinolum|Phenylmethanol|PHENYLMETHANOL-HYDROXYTOLUENE|Phenylmethyl alcohol|Sunmorl BK 20|TB 13G|Ulesfia|UNII-LKG8494WBH|a-Hydroxytoluene|a-Toluenol|1336-27-2|185532-71-2|2263936-23-6|2565578-76-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020152 https://doi.org/10.22427/NTP-DATA-DTXSID5020152
ARPathway2016 ARPathway2016_399 Benzyl alcohol 100-51-6 DTXSID5020152 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCC1=CC=CC=C1 Benzyl alcohol 100-51-6|Benzyl alcohol|.alpha.-hydroxytoluene|.alpha.-toluenol|(Hydroxymethyl)benzene|4-06-00-02222|a-Hydroxytoluene|a-Toluenol|alcohol bencilico|alcoholum benzylicum|Alcool benzilico|Alcool benzylique|alpha-toluenol|Aromatic alcohol|Aromatic primary alcohol|Bentalol|Benzal alcohol|Benzenecarbinol|Benzenemethanol|Benzenmethanol|Benzolmethanol|Benzoyl alcohol|Benzyl alkohol|Benzyl-alcohol|BENZYLALCOHOL|Benzylalkohol|BENZYLIC ALCOHOL|Benzylicum|BRN 0878307|Caswell No. 081F|EINECS 202-859-9|Enzylalcohol|EPA Pesticide Chemical Code 009502|Euxyl K 100|FEMA No. 2137|Hydroxytoluene|Itch-x|MBN|Methanol benzene|Methanol, phenyl-|NCI-C06111|NSC 8044|Phenolcarbinol|Phenylcarbinol|Phenylcarbinolum|Phenylmethanol|PHENYLMETHANOL-HYDROXYTOLUENE|Phenylmethyl alcohol|Sunmorl BK 20|TB 13G|Ulesfia|UNII-LKG8494WBH|a-Hydroxytoluene|a-Toluenol|1336-27-2|185532-71-2|2263936-23-6|2565578-76-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020152 https://doi.org/10.22427/NTP-DATA-DTXSID5020152
ARPathway2016 ARPathway2016_399 Benzyl alcohol 100-51-6 DTXSID5020152 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCC1=CC=CC=C1 Benzyl alcohol 100-51-6|Benzyl alcohol|.alpha.-hydroxytoluene|.alpha.-toluenol|(Hydroxymethyl)benzene|4-06-00-02222|a-Hydroxytoluene|a-Toluenol|alcohol bencilico|alcoholum benzylicum|Alcool benzilico|Alcool benzylique|alpha-toluenol|Aromatic alcohol|Aromatic primary alcohol|Bentalol|Benzal alcohol|Benzenecarbinol|Benzenemethanol|Benzenmethanol|Benzolmethanol|Benzoyl alcohol|Benzyl alkohol|Benzyl-alcohol|BENZYLALCOHOL|Benzylalkohol|BENZYLIC ALCOHOL|Benzylicum|BRN 0878307|Caswell No. 081F|EINECS 202-859-9|Enzylalcohol|EPA Pesticide Chemical Code 009502|Euxyl K 100|FEMA No. 2137|Hydroxytoluene|Itch-x|MBN|Methanol benzene|Methanol, phenyl-|NCI-C06111|NSC 8044|Phenolcarbinol|Phenylcarbinol|Phenylcarbinolum|Phenylmethanol|PHENYLMETHANOL-HYDROXYTOLUENE|Phenylmethyl alcohol|Sunmorl BK 20|TB 13G|Ulesfia|UNII-LKG8494WBH|a-Hydroxytoluene|a-Toluenol|1336-27-2|185532-71-2|2263936-23-6|2565578-76-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020152 https://doi.org/10.22427/NTP-DATA-DTXSID5020152
ERPathway2016 ERPathway2016_1056 Benzyl alcohol 100-51-6 DTXSID5020152 ER Pathway Model, Agonist Model Score 0 Unitless OCC1=CC=CC=C1 Benzyl alcohol 100-51-6|Benzyl alcohol|.alpha.-hydroxytoluene|.alpha.-toluenol|(Hydroxymethyl)benzene|4-06-00-02222|a-Hydroxytoluene|a-Toluenol|alcohol bencilico|alcoholum benzylicum|Alcool benzilico|Alcool benzylique|alpha-toluenol|Aromatic alcohol|Aromatic primary alcohol|Bentalol|Benzal alcohol|Benzenecarbinol|Benzenemethanol|Benzenmethanol|Benzolmethanol|Benzoyl alcohol|Benzyl alkohol|Benzyl-alcohol|BENZYLALCOHOL|Benzylalkohol|BENZYLIC ALCOHOL|Benzylicum|BRN 0878307|Caswell No. 081F|EINECS 202-859-9|Enzylalcohol|EPA Pesticide Chemical Code 009502|Euxyl K 100|FEMA No. 2137|Hydroxytoluene|Itch-x|MBN|Methanol benzene|Methanol, phenyl-|NCI-C06111|NSC 8044|Phenolcarbinol|Phenylcarbinol|Phenylcarbinolum|Phenylmethanol|PHENYLMETHANOL-HYDROXYTOLUENE|Phenylmethyl alcohol|Sunmorl BK 20|TB 13G|Ulesfia|UNII-LKG8494WBH|a-Hydroxytoluene|a-Toluenol|1336-27-2|185532-71-2|2263936-23-6|2565578-76-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020152 https://doi.org/10.22427/NTP-DATA-DTXSID5020152
ERPathway2016 ERPathway2016_1056 Benzyl alcohol 100-51-6 DTXSID5020152 ER Pathway Model, Antagonist Model Score 0 Unitless OCC1=CC=CC=C1 Benzyl alcohol 100-51-6|Benzyl alcohol|.alpha.-hydroxytoluene|.alpha.-toluenol|(Hydroxymethyl)benzene|4-06-00-02222|a-Hydroxytoluene|a-Toluenol|alcohol bencilico|alcoholum benzylicum|Alcool benzilico|Alcool benzylique|alpha-toluenol|Aromatic alcohol|Aromatic primary alcohol|Bentalol|Benzal alcohol|Benzenecarbinol|Benzenemethanol|Benzenmethanol|Benzolmethanol|Benzoyl alcohol|Benzyl alkohol|Benzyl-alcohol|BENZYLALCOHOL|Benzylalkohol|BENZYLIC ALCOHOL|Benzylicum|BRN 0878307|Caswell No. 081F|EINECS 202-859-9|Enzylalcohol|EPA Pesticide Chemical Code 009502|Euxyl K 100|FEMA No. 2137|Hydroxytoluene|Itch-x|MBN|Methanol benzene|Methanol, phenyl-|NCI-C06111|NSC 8044|Phenolcarbinol|Phenylcarbinol|Phenylcarbinolum|Phenylmethanol|PHENYLMETHANOL-HYDROXYTOLUENE|Phenylmethyl alcohol|Sunmorl BK 20|TB 13G|Ulesfia|UNII-LKG8494WBH|a-Hydroxytoluene|a-Toluenol|1336-27-2|185532-71-2|2263936-23-6|2565578-76-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020152 https://doi.org/10.22427/NTP-DATA-DTXSID5020152
ERPathway2016 ERPathway2016_1056 Benzyl alcohol 100-51-6 DTXSID5020152 ER Pathway Model, Agonist Call Inactive Unitless OCC1=CC=CC=C1 Benzyl alcohol 100-51-6|Benzyl alcohol|.alpha.-hydroxytoluene|.alpha.-toluenol|(Hydroxymethyl)benzene|4-06-00-02222|a-Hydroxytoluene|a-Toluenol|alcohol bencilico|alcoholum benzylicum|Alcool benzilico|Alcool benzylique|alpha-toluenol|Aromatic alcohol|Aromatic primary alcohol|Bentalol|Benzal alcohol|Benzenecarbinol|Benzenemethanol|Benzenmethanol|Benzolmethanol|Benzoyl alcohol|Benzyl alkohol|Benzyl-alcohol|BENZYLALCOHOL|Benzylalkohol|BENZYLIC ALCOHOL|Benzylicum|BRN 0878307|Caswell No. 081F|EINECS 202-859-9|Enzylalcohol|EPA Pesticide Chemical Code 009502|Euxyl K 100|FEMA No. 2137|Hydroxytoluene|Itch-x|MBN|Methanol benzene|Methanol, phenyl-|NCI-C06111|NSC 8044|Phenolcarbinol|Phenylcarbinol|Phenylcarbinolum|Phenylmethanol|PHENYLMETHANOL-HYDROXYTOLUENE|Phenylmethyl alcohol|Sunmorl BK 20|TB 13G|Ulesfia|UNII-LKG8494WBH|a-Hydroxytoluene|a-Toluenol|1336-27-2|185532-71-2|2263936-23-6|2565578-76-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020152 https://doi.org/10.22427/NTP-DATA-DTXSID5020152
ERPathway2016 ERPathway2016_1056 Benzyl alcohol 100-51-6 DTXSID5020152 ER Pathway Model, Antagonist Call Inactive Unitless OCC1=CC=CC=C1 Benzyl alcohol 100-51-6|Benzyl alcohol|.alpha.-hydroxytoluene|.alpha.-toluenol|(Hydroxymethyl)benzene|4-06-00-02222|a-Hydroxytoluene|a-Toluenol|alcohol bencilico|alcoholum benzylicum|Alcool benzilico|Alcool benzylique|alpha-toluenol|Aromatic alcohol|Aromatic primary alcohol|Bentalol|Benzal alcohol|Benzenecarbinol|Benzenemethanol|Benzenmethanol|Benzolmethanol|Benzoyl alcohol|Benzyl alkohol|Benzyl-alcohol|BENZYLALCOHOL|Benzylalkohol|BENZYLIC ALCOHOL|Benzylicum|BRN 0878307|Caswell No. 081F|EINECS 202-859-9|Enzylalcohol|EPA Pesticide Chemical Code 009502|Euxyl K 100|FEMA No. 2137|Hydroxytoluene|Itch-x|MBN|Methanol benzene|Methanol, phenyl-|NCI-C06111|NSC 8044|Phenolcarbinol|Phenylcarbinol|Phenylcarbinolum|Phenylmethanol|PHENYLMETHANOL-HYDROXYTOLUENE|Phenylmethyl alcohol|Sunmorl BK 20|TB 13G|Ulesfia|UNII-LKG8494WBH|a-Hydroxytoluene|a-Toluenol|1336-27-2|185532-71-2|2263936-23-6|2565578-76-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020152 https://doi.org/10.22427/NTP-DATA-DTXSID5020152
ARPathway2016 ARPathway2016_670 Benzyl benzoate 120-51-4 DTXSID8029153 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C(OCC1=CC=CC=C1)C1=CC=CC=C1 Benzyl benzoate 120-51-4|Benzyl benzoate|4-09-00-00307|Antiscabiosum|Ascabin|Ascabiol|Benylate|Benzoate de benzyle|BENZOATE, BENZYL|benzoato de bencilo|BENZOESAEURE-BENZYLESTER|Benzoesaeurebenzylester|Benzoic acid phenylmethyl ester|Benzoic acid, benzyl ester|Benzoic acid, phenylmethyl ester|BENZOIC ACID, PHENYLMETHYLESTER|Benzyl alcohol benzoic ester|Benzyl benzenecarboxylate|Benzyl phenylformate|Benzylbenzoat|Benzylester kyseliny benzoove|Benzylets|Benzylis benzoas|Benzylum benzoicum|BRN 2049280|Caswell No. 082|Colebenz|EINECS 204-402-9|EPA Pesticide Chemical Code 009501|FEMA No. 2138|FEMA Number 2138|Nicca Sunsolt LM 7EX|Novoscabin|NSC 8081|Pelemol B66|Peruscabin|Peruscabina|Phenylmethyl benzoate|Scabagen|Scabanca|Scabcare BB|Scabide|Scabiozon|Scabitox|Scobenol|UNII-N863NB338G|Vanzoate|Venzonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029153
ARPathway2016 ARPathway2016_670 Benzyl benzoate 120-51-4 DTXSID8029153 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C(OCC1=CC=CC=C1)C1=CC=CC=C1 Benzyl benzoate 120-51-4|Benzyl benzoate|4-09-00-00307|Antiscabiosum|Ascabin|Ascabiol|Benylate|Benzoate de benzyle|BENZOATE, BENZYL|benzoato de bencilo|BENZOESAEURE-BENZYLESTER|Benzoesaeurebenzylester|Benzoic acid phenylmethyl ester|Benzoic acid, benzyl ester|Benzoic acid, phenylmethyl ester|BENZOIC ACID, PHENYLMETHYLESTER|Benzyl alcohol benzoic ester|Benzyl benzenecarboxylate|Benzyl phenylformate|Benzylbenzoat|Benzylester kyseliny benzoove|Benzylets|Benzylis benzoas|Benzylum benzoicum|BRN 2049280|Caswell No. 082|Colebenz|EINECS 204-402-9|EPA Pesticide Chemical Code 009501|FEMA No. 2138|FEMA Number 2138|Nicca Sunsolt LM 7EX|Novoscabin|NSC 8081|Pelemol B66|Peruscabin|Peruscabina|Phenylmethyl benzoate|Scabagen|Scabanca|Scabcare BB|Scabide|Scabiozon|Scabitox|Scobenol|UNII-N863NB338G|Vanzoate|Venzonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029153
ARPathway2016 ARPathway2016_670 Benzyl benzoate 120-51-4 DTXSID8029153 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C(OCC1=CC=CC=C1)C1=CC=CC=C1 Benzyl benzoate 120-51-4|Benzyl benzoate|4-09-00-00307|Antiscabiosum|Ascabin|Ascabiol|Benylate|Benzoate de benzyle|BENZOATE, BENZYL|benzoato de bencilo|BENZOESAEURE-BENZYLESTER|Benzoesaeurebenzylester|Benzoic acid phenylmethyl ester|Benzoic acid, benzyl ester|Benzoic acid, phenylmethyl ester|BENZOIC ACID, PHENYLMETHYLESTER|Benzyl alcohol benzoic ester|Benzyl benzenecarboxylate|Benzyl phenylformate|Benzylbenzoat|Benzylester kyseliny benzoove|Benzylets|Benzylis benzoas|Benzylum benzoicum|BRN 2049280|Caswell No. 082|Colebenz|EINECS 204-402-9|EPA Pesticide Chemical Code 009501|FEMA No. 2138|FEMA Number 2138|Nicca Sunsolt LM 7EX|Novoscabin|NSC 8081|Pelemol B66|Peruscabin|Peruscabina|Phenylmethyl benzoate|Scabagen|Scabanca|Scabcare BB|Scabide|Scabiozon|Scabitox|Scobenol|UNII-N863NB338G|Vanzoate|Venzonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029153
ARPathway2016 ARPathway2016_670 Benzyl benzoate 120-51-4 DTXSID8029153 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C(OCC1=CC=CC=C1)C1=CC=CC=C1 Benzyl benzoate 120-51-4|Benzyl benzoate|4-09-00-00307|Antiscabiosum|Ascabin|Ascabiol|Benylate|Benzoate de benzyle|BENZOATE, BENZYL|benzoato de bencilo|BENZOESAEURE-BENZYLESTER|Benzoesaeurebenzylester|Benzoic acid phenylmethyl ester|Benzoic acid, benzyl ester|Benzoic acid, phenylmethyl ester|BENZOIC ACID, PHENYLMETHYLESTER|Benzyl alcohol benzoic ester|Benzyl benzenecarboxylate|Benzyl phenylformate|Benzylbenzoat|Benzylester kyseliny benzoove|Benzylets|Benzylis benzoas|Benzylum benzoicum|BRN 2049280|Caswell No. 082|Colebenz|EINECS 204-402-9|EPA Pesticide Chemical Code 009501|FEMA No. 2138|FEMA Number 2138|Nicca Sunsolt LM 7EX|Novoscabin|NSC 8081|Pelemol B66|Peruscabin|Peruscabina|Phenylmethyl benzoate|Scabagen|Scabanca|Scabcare BB|Scabide|Scabiozon|Scabitox|Scobenol|UNII-N863NB338G|Vanzoate|Venzonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029153
ERPathway2016 ERPathway2016_717 Benzyl benzoate 120-51-4 DTXSID8029153 ER Pathway Model, Agonist Model Score 0 Unitless O=C(OCC1=CC=CC=C1)C1=CC=CC=C1 Benzyl benzoate 120-51-4|Benzyl benzoate|4-09-00-00307|Antiscabiosum|Ascabin|Ascabiol|Benylate|Benzoate de benzyle|BENZOATE, BENZYL|benzoato de bencilo|BENZOESAEURE-BENZYLESTER|Benzoesaeurebenzylester|Benzoic acid phenylmethyl ester|Benzoic acid, benzyl ester|Benzoic acid, phenylmethyl ester|BENZOIC ACID, PHENYLMETHYLESTER|Benzyl alcohol benzoic ester|Benzyl benzenecarboxylate|Benzyl phenylformate|Benzylbenzoat|Benzylester kyseliny benzoove|Benzylets|Benzylis benzoas|Benzylum benzoicum|BRN 2049280|Caswell No. 082|Colebenz|EINECS 204-402-9|EPA Pesticide Chemical Code 009501|FEMA No. 2138|FEMA Number 2138|Nicca Sunsolt LM 7EX|Novoscabin|NSC 8081|Pelemol B66|Peruscabin|Peruscabina|Phenylmethyl benzoate|Scabagen|Scabanca|Scabcare BB|Scabide|Scabiozon|Scabitox|Scobenol|UNII-N863NB338G|Vanzoate|Venzonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029153
ERPathway2016 ERPathway2016_717 Benzyl benzoate 120-51-4 DTXSID8029153 ER Pathway Model, Antagonist Model Score 0 Unitless O=C(OCC1=CC=CC=C1)C1=CC=CC=C1 Benzyl benzoate 120-51-4|Benzyl benzoate|4-09-00-00307|Antiscabiosum|Ascabin|Ascabiol|Benylate|Benzoate de benzyle|BENZOATE, BENZYL|benzoato de bencilo|BENZOESAEURE-BENZYLESTER|Benzoesaeurebenzylester|Benzoic acid phenylmethyl ester|Benzoic acid, benzyl ester|Benzoic acid, phenylmethyl ester|BENZOIC ACID, PHENYLMETHYLESTER|Benzyl alcohol benzoic ester|Benzyl benzenecarboxylate|Benzyl phenylformate|Benzylbenzoat|Benzylester kyseliny benzoove|Benzylets|Benzylis benzoas|Benzylum benzoicum|BRN 2049280|Caswell No. 082|Colebenz|EINECS 204-402-9|EPA Pesticide Chemical Code 009501|FEMA No. 2138|FEMA Number 2138|Nicca Sunsolt LM 7EX|Novoscabin|NSC 8081|Pelemol B66|Peruscabin|Peruscabina|Phenylmethyl benzoate|Scabagen|Scabanca|Scabcare BB|Scabide|Scabiozon|Scabitox|Scobenol|UNII-N863NB338G|Vanzoate|Venzonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029153
ERPathway2016 ERPathway2016_717 Benzyl benzoate 120-51-4 DTXSID8029153 ER Pathway Model, Agonist Call Inactive Unitless O=C(OCC1=CC=CC=C1)C1=CC=CC=C1 Benzyl benzoate 120-51-4|Benzyl benzoate|4-09-00-00307|Antiscabiosum|Ascabin|Ascabiol|Benylate|Benzoate de benzyle|BENZOATE, BENZYL|benzoato de bencilo|BENZOESAEURE-BENZYLESTER|Benzoesaeurebenzylester|Benzoic acid phenylmethyl ester|Benzoic acid, benzyl ester|Benzoic acid, phenylmethyl ester|BENZOIC ACID, PHENYLMETHYLESTER|Benzyl alcohol benzoic ester|Benzyl benzenecarboxylate|Benzyl phenylformate|Benzylbenzoat|Benzylester kyseliny benzoove|Benzylets|Benzylis benzoas|Benzylum benzoicum|BRN 2049280|Caswell No. 082|Colebenz|EINECS 204-402-9|EPA Pesticide Chemical Code 009501|FEMA No. 2138|FEMA Number 2138|Nicca Sunsolt LM 7EX|Novoscabin|NSC 8081|Pelemol B66|Peruscabin|Peruscabina|Phenylmethyl benzoate|Scabagen|Scabanca|Scabcare BB|Scabide|Scabiozon|Scabitox|Scobenol|UNII-N863NB338G|Vanzoate|Venzonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029153
ERPathway2016 ERPathway2016_717 Benzyl benzoate 120-51-4 DTXSID8029153 ER Pathway Model, Antagonist Call Inactive Unitless O=C(OCC1=CC=CC=C1)C1=CC=CC=C1 Benzyl benzoate 120-51-4|Benzyl benzoate|4-09-00-00307|Antiscabiosum|Ascabin|Ascabiol|Benylate|Benzoate de benzyle|BENZOATE, BENZYL|benzoato de bencilo|BENZOESAEURE-BENZYLESTER|Benzoesaeurebenzylester|Benzoic acid phenylmethyl ester|Benzoic acid, benzyl ester|Benzoic acid, phenylmethyl ester|BENZOIC ACID, PHENYLMETHYLESTER|Benzyl alcohol benzoic ester|Benzyl benzenecarboxylate|Benzyl phenylformate|Benzylbenzoat|Benzylester kyseliny benzoove|Benzylets|Benzylis benzoas|Benzylum benzoicum|BRN 2049280|Caswell No. 082|Colebenz|EINECS 204-402-9|EPA Pesticide Chemical Code 009501|FEMA No. 2138|FEMA Number 2138|Nicca Sunsolt LM 7EX|Novoscabin|NSC 8081|Pelemol B66|Peruscabin|Peruscabina|Phenylmethyl benzoate|Scabagen|Scabanca|Scabcare BB|Scabide|Scabiozon|Scabitox|Scobenol|UNII-N863NB338G|Vanzoate|Venzonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029153
ARPathway2016 ARPathway2016_1307 Benzyl bromoacetate 5437-45-6 DTXSID4040343 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless BrCC(=O)OCC1=CC=CC=C1 Benzyl bromoacetate 5437-45-6|Benzyl bromoacetate|4-06-00-02265|ACETATE, BROMO-, BENZYL|Acetic acid, 2-bromo-, phenylmethyl ester|Acetic acid, bromo-, benzyl ester|Acetic acid, bromo-, phenylmethyl ester|Benzyl 2-bromoacetate|Benzylbromacetat|BRN 0973658|Bromoacetate de benzyle|bromoacetato de bencilo|Bromoacetic acid benzyl ester|Caswell No. 082A|EINECS 226-611-4|EPA Pesticide Chemical Code 008710|NSC 16114|NSC 23980|Phenylmethyl bromoacetate|UNII-64U2RK18D3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040343
ARPathway2016 ARPathway2016_1307 Benzyl bromoacetate 5437-45-6 DTXSID4040343 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless BrCC(=O)OCC1=CC=CC=C1 Benzyl bromoacetate 5437-45-6|Benzyl bromoacetate|4-06-00-02265|ACETATE, BROMO-, BENZYL|Acetic acid, 2-bromo-, phenylmethyl ester|Acetic acid, bromo-, benzyl ester|Acetic acid, bromo-, phenylmethyl ester|Benzyl 2-bromoacetate|Benzylbromacetat|BRN 0973658|Bromoacetate de benzyle|bromoacetato de bencilo|Bromoacetic acid benzyl ester|Caswell No. 082A|EINECS 226-611-4|EPA Pesticide Chemical Code 008710|NSC 16114|NSC 23980|Phenylmethyl bromoacetate|UNII-64U2RK18D3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040343
ARPathway2016 ARPathway2016_1307 Benzyl bromoacetate 5437-45-6 DTXSID4040343 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless BrCC(=O)OCC1=CC=CC=C1 Benzyl bromoacetate 5437-45-6|Benzyl bromoacetate|4-06-00-02265|ACETATE, BROMO-, BENZYL|Acetic acid, 2-bromo-, phenylmethyl ester|Acetic acid, bromo-, benzyl ester|Acetic acid, bromo-, phenylmethyl ester|Benzyl 2-bromoacetate|Benzylbromacetat|BRN 0973658|Bromoacetate de benzyle|bromoacetato de bencilo|Bromoacetic acid benzyl ester|Caswell No. 082A|EINECS 226-611-4|EPA Pesticide Chemical Code 008710|NSC 16114|NSC 23980|Phenylmethyl bromoacetate|UNII-64U2RK18D3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040343
ARPathway2016 ARPathway2016_1307 Benzyl bromoacetate 5437-45-6 DTXSID4040343 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless BrCC(=O)OCC1=CC=CC=C1 Benzyl bromoacetate 5437-45-6|Benzyl bromoacetate|4-06-00-02265|ACETATE, BROMO-, BENZYL|Acetic acid, 2-bromo-, phenylmethyl ester|Acetic acid, bromo-, benzyl ester|Acetic acid, bromo-, phenylmethyl ester|Benzyl 2-bromoacetate|Benzylbromacetat|BRN 0973658|Bromoacetate de benzyle|bromoacetato de bencilo|Bromoacetic acid benzyl ester|Caswell No. 082A|EINECS 226-611-4|EPA Pesticide Chemical Code 008710|NSC 16114|NSC 23980|Phenylmethyl bromoacetate|UNII-64U2RK18D3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040343
ERPathway2016 ERPathway2016_479 Benzyl bromoacetate 5437-45-6 DTXSID4040343 A15 ER Pathway Model, Antagonist AC50 26.9224409688574 uM BrCC(=O)OCC1=CC=CC=C1 Benzyl bromoacetate 5437-45-6|Benzyl bromoacetate|4-06-00-02265|ACETATE, BROMO-, BENZYL|Acetic acid, 2-bromo-, phenylmethyl ester|Acetic acid, bromo-, benzyl ester|Acetic acid, bromo-, phenylmethyl ester|Benzyl 2-bromoacetate|Benzylbromacetat|BRN 0973658|Bromoacetate de benzyle|bromoacetato de bencilo|Bromoacetic acid benzyl ester|Caswell No. 082A|EINECS 226-611-4|EPA Pesticide Chemical Code 008710|NSC 16114|NSC 23980|Phenylmethyl bromoacetate|UNII-64U2RK18D3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040343
ERPathway2016 ERPathway2016_479 Benzyl bromoacetate 5437-45-6 DTXSID4040343 A15 ER Pathway Model, Antagonist ACC 60.2783141298594 uM BrCC(=O)OCC1=CC=CC=C1 Benzyl bromoacetate 5437-45-6|Benzyl bromoacetate|4-06-00-02265|ACETATE, BROMO-, BENZYL|Acetic acid, 2-bromo-, phenylmethyl ester|Acetic acid, bromo-, benzyl ester|Acetic acid, bromo-, phenylmethyl ester|Benzyl 2-bromoacetate|Benzylbromacetat|BRN 0973658|Bromoacetate de benzyle|bromoacetato de bencilo|Bromoacetic acid benzyl ester|Caswell No. 082A|EINECS 226-611-4|EPA Pesticide Chemical Code 008710|NSC 16114|NSC 23980|Phenylmethyl bromoacetate|UNII-64U2RK18D3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040343
ERPathway2016 ERPathway2016_479 Benzyl bromoacetate 5437-45-6 DTXSID4040343 A15 ER Pathway Model, Agonist Model Score 0.00188 Unitless BrCC(=O)OCC1=CC=CC=C1 Benzyl bromoacetate 5437-45-6|Benzyl bromoacetate|4-06-00-02265|ACETATE, BROMO-, BENZYL|Acetic acid, 2-bromo-, phenylmethyl ester|Acetic acid, bromo-, benzyl ester|Acetic acid, bromo-, phenylmethyl ester|Benzyl 2-bromoacetate|Benzylbromacetat|BRN 0973658|Bromoacetate de benzyle|bromoacetato de bencilo|Bromoacetic acid benzyl ester|Caswell No. 082A|EINECS 226-611-4|EPA Pesticide Chemical Code 008710|NSC 16114|NSC 23980|Phenylmethyl bromoacetate|UNII-64U2RK18D3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040343
ERPathway2016 ERPathway2016_479 Benzyl bromoacetate 5437-45-6 DTXSID4040343 A15 ER Pathway Model, Antagonist Model Score 0 Unitless BrCC(=O)OCC1=CC=CC=C1 Benzyl bromoacetate 5437-45-6|Benzyl bromoacetate|4-06-00-02265|ACETATE, BROMO-, BENZYL|Acetic acid, 2-bromo-, phenylmethyl ester|Acetic acid, bromo-, benzyl ester|Acetic acid, bromo-, phenylmethyl ester|Benzyl 2-bromoacetate|Benzylbromacetat|BRN 0973658|Bromoacetate de benzyle|bromoacetato de bencilo|Bromoacetic acid benzyl ester|Caswell No. 082A|EINECS 226-611-4|EPA Pesticide Chemical Code 008710|NSC 16114|NSC 23980|Phenylmethyl bromoacetate|UNII-64U2RK18D3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040343
ERPathway2016 ERPathway2016_479 Benzyl bromoacetate 5437-45-6 DTXSID4040343 A15 ER Pathway Model, Agonist Call Inactive Unitless BrCC(=O)OCC1=CC=CC=C1 Benzyl bromoacetate 5437-45-6|Benzyl bromoacetate|4-06-00-02265|ACETATE, BROMO-, BENZYL|Acetic acid, 2-bromo-, phenylmethyl ester|Acetic acid, bromo-, benzyl ester|Acetic acid, bromo-, phenylmethyl ester|Benzyl 2-bromoacetate|Benzylbromacetat|BRN 0973658|Bromoacetate de benzyle|bromoacetato de bencilo|Bromoacetic acid benzyl ester|Caswell No. 082A|EINECS 226-611-4|EPA Pesticide Chemical Code 008710|NSC 16114|NSC 23980|Phenylmethyl bromoacetate|UNII-64U2RK18D3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040343
ERPathway2016 ERPathway2016_479 Benzyl bromoacetate 5437-45-6 DTXSID4040343 A15 ER Pathway Model, Antagonist Call Active Unitless BrCC(=O)OCC1=CC=CC=C1 Benzyl bromoacetate 5437-45-6|Benzyl bromoacetate|4-06-00-02265|ACETATE, BROMO-, BENZYL|Acetic acid, 2-bromo-, phenylmethyl ester|Acetic acid, bromo-, benzyl ester|Acetic acid, bromo-, phenylmethyl ester|Benzyl 2-bromoacetate|Benzylbromacetat|BRN 0973658|Bromoacetate de benzyle|bromoacetato de bencilo|Bromoacetic acid benzyl ester|Caswell No. 082A|EINECS 226-611-4|EPA Pesticide Chemical Code 008710|NSC 16114|NSC 23980|Phenylmethyl bromoacetate|UNII-64U2RK18D3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040343
ARPathway2016 ARPathway2016_1649 Benzyl butyl phthalate 85-68-7 DTXSID3020205 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl butyl phthalate 85-68-7|Benzyl butyl phthalate|1,2-Benzenedicarboxylic acid butyl phenylmethyl ester|1,2-Benzenedicarboxylic acid, 1-butyl 2-(phenylmethyl) ester|1,2-BENZENEDICARBOXYLIC ACID, BUTYL PHENYL METHYL ESTER|1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester|BBP|Benzyl butylphthalate|Benzyl n-butyl phthalate|Benzyl-butylester kyseliny ftalove|Benzylbutylphthalat|BRN 2062204|Butyl phenylmethyl 1,2-benzenedicarboxylate|Butylbenzyl phthalate|BzBP|Caswell No. 125G|Diacizer D 160|EINECS 201-622-7|ftalato de bencilo y butilo|Ketjenflex 160|n-Butyl benzyl phthalate|n-Butyl benzyl phthalate diester|NCI-C54375|NSC 71001|Palatinol BB|Phtalate de benzyle et de butyle|Phtalate de bis Benzyle et de Butyle|PHTHALATE, BENZYLBUTYL-|PHTHALATE, BUTYL BENZYL|Phthalic acid, benzyl butyl ester|PHTHALSAEURE-BENZYL-BUTYL-ESTER|Sant 160|Santicizer 160|Santicizer C 160|Santicizer S 160|Sicol 160|Spatozoate|UNII-YPC4PJX59M|Unimoll BB|58128-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020205 https://doi.org/10.22427/NTP-DATA-DTXSID3020205
ARPathway2016 ARPathway2016_1649 Benzyl butyl phthalate 85-68-7 DTXSID3020205 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl butyl phthalate 85-68-7|Benzyl butyl phthalate|1,2-Benzenedicarboxylic acid butyl phenylmethyl ester|1,2-Benzenedicarboxylic acid, 1-butyl 2-(phenylmethyl) ester|1,2-BENZENEDICARBOXYLIC ACID, BUTYL PHENYL METHYL ESTER|1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester|BBP|Benzyl butylphthalate|Benzyl n-butyl phthalate|Benzyl-butylester kyseliny ftalove|Benzylbutylphthalat|BRN 2062204|Butyl phenylmethyl 1,2-benzenedicarboxylate|Butylbenzyl phthalate|BzBP|Caswell No. 125G|Diacizer D 160|EINECS 201-622-7|ftalato de bencilo y butilo|Ketjenflex 160|n-Butyl benzyl phthalate|n-Butyl benzyl phthalate diester|NCI-C54375|NSC 71001|Palatinol BB|Phtalate de benzyle et de butyle|Phtalate de bis Benzyle et de Butyle|PHTHALATE, BENZYLBUTYL-|PHTHALATE, BUTYL BENZYL|Phthalic acid, benzyl butyl ester|PHTHALSAEURE-BENZYL-BUTYL-ESTER|Sant 160|Santicizer 160|Santicizer C 160|Santicizer S 160|Sicol 160|Spatozoate|UNII-YPC4PJX59M|Unimoll BB|58128-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020205 https://doi.org/10.22427/NTP-DATA-DTXSID3020205
ARPathway2016 ARPathway2016_1649 Benzyl butyl phthalate 85-68-7 DTXSID3020205 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl butyl phthalate 85-68-7|Benzyl butyl phthalate|1,2-Benzenedicarboxylic acid butyl phenylmethyl ester|1,2-Benzenedicarboxylic acid, 1-butyl 2-(phenylmethyl) ester|1,2-BENZENEDICARBOXYLIC ACID, BUTYL PHENYL METHYL ESTER|1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester|BBP|Benzyl butylphthalate|Benzyl n-butyl phthalate|Benzyl-butylester kyseliny ftalove|Benzylbutylphthalat|BRN 2062204|Butyl phenylmethyl 1,2-benzenedicarboxylate|Butylbenzyl phthalate|BzBP|Caswell No. 125G|Diacizer D 160|EINECS 201-622-7|ftalato de bencilo y butilo|Ketjenflex 160|n-Butyl benzyl phthalate|n-Butyl benzyl phthalate diester|NCI-C54375|NSC 71001|Palatinol BB|Phtalate de benzyle et de butyle|Phtalate de bis Benzyle et de Butyle|PHTHALATE, BENZYLBUTYL-|PHTHALATE, BUTYL BENZYL|Phthalic acid, benzyl butyl ester|PHTHALSAEURE-BENZYL-BUTYL-ESTER|Sant 160|Santicizer 160|Santicizer C 160|Santicizer S 160|Sicol 160|Spatozoate|UNII-YPC4PJX59M|Unimoll BB|58128-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020205 https://doi.org/10.22427/NTP-DATA-DTXSID3020205
ARPathway2016 ARPathway2016_1649 Benzyl butyl phthalate 85-68-7 DTXSID3020205 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl butyl phthalate 85-68-7|Benzyl butyl phthalate|1,2-Benzenedicarboxylic acid butyl phenylmethyl ester|1,2-Benzenedicarboxylic acid, 1-butyl 2-(phenylmethyl) ester|1,2-BENZENEDICARBOXYLIC ACID, BUTYL PHENYL METHYL ESTER|1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester|BBP|Benzyl butylphthalate|Benzyl n-butyl phthalate|Benzyl-butylester kyseliny ftalove|Benzylbutylphthalat|BRN 2062204|Butyl phenylmethyl 1,2-benzenedicarboxylate|Butylbenzyl phthalate|BzBP|Caswell No. 125G|Diacizer D 160|EINECS 201-622-7|ftalato de bencilo y butilo|Ketjenflex 160|n-Butyl benzyl phthalate|n-Butyl benzyl phthalate diester|NCI-C54375|NSC 71001|Palatinol BB|Phtalate de benzyle et de butyle|Phtalate de bis Benzyle et de Butyle|PHTHALATE, BENZYLBUTYL-|PHTHALATE, BUTYL BENZYL|Phthalic acid, benzyl butyl ester|PHTHALSAEURE-BENZYL-BUTYL-ESTER|Sant 160|Santicizer 160|Santicizer C 160|Santicizer S 160|Sicol 160|Spatozoate|UNII-YPC4PJX59M|Unimoll BB|58128-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020205 https://doi.org/10.22427/NTP-DATA-DTXSID3020205
ERPathway2016 ERPathway2016_205 Benzyl butyl phthalate 85-68-7 DTXSID3020205 Agonist ER Pathway Model, Antagonist AC50 12.9441187605648 uM CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl butyl phthalate 85-68-7|Benzyl butyl phthalate|1,2-Benzenedicarboxylic acid butyl phenylmethyl ester|1,2-Benzenedicarboxylic acid, 1-butyl 2-(phenylmethyl) ester|1,2-BENZENEDICARBOXYLIC ACID, BUTYL PHENYL METHYL ESTER|1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester|BBP|Benzyl butylphthalate|Benzyl n-butyl phthalate|Benzyl-butylester kyseliny ftalove|Benzylbutylphthalat|BRN 2062204|Butyl phenylmethyl 1,2-benzenedicarboxylate|Butylbenzyl phthalate|BzBP|Caswell No. 125G|Diacizer D 160|EINECS 201-622-7|ftalato de bencilo y butilo|Ketjenflex 160|n-Butyl benzyl phthalate|n-Butyl benzyl phthalate diester|NCI-C54375|NSC 71001|Palatinol BB|Phtalate de benzyle et de butyle|Phtalate de bis Benzyle et de Butyle|PHTHALATE, BENZYLBUTYL-|PHTHALATE, BUTYL BENZYL|Phthalic acid, benzyl butyl ester|PHTHALSAEURE-BENZYL-BUTYL-ESTER|Sant 160|Santicizer 160|Santicizer C 160|Santicizer S 160|Sicol 160|Spatozoate|UNII-YPC4PJX59M|Unimoll BB|58128-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020205 https://doi.org/10.22427/NTP-DATA-DTXSID3020205
ERPathway2016 ERPathway2016_205 Benzyl butyl phthalate 85-68-7 DTXSID3020205 Agonist ER Pathway Model, Antagonist ACC 7.41251839025667 uM CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl butyl phthalate 85-68-7|Benzyl butyl phthalate|1,2-Benzenedicarboxylic acid butyl phenylmethyl ester|1,2-Benzenedicarboxylic acid, 1-butyl 2-(phenylmethyl) ester|1,2-BENZENEDICARBOXYLIC ACID, BUTYL PHENYL METHYL ESTER|1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester|BBP|Benzyl butylphthalate|Benzyl n-butyl phthalate|Benzyl-butylester kyseliny ftalove|Benzylbutylphthalat|BRN 2062204|Butyl phenylmethyl 1,2-benzenedicarboxylate|Butylbenzyl phthalate|BzBP|Caswell No. 125G|Diacizer D 160|EINECS 201-622-7|ftalato de bencilo y butilo|Ketjenflex 160|n-Butyl benzyl phthalate|n-Butyl benzyl phthalate diester|NCI-C54375|NSC 71001|Palatinol BB|Phtalate de benzyle et de butyle|Phtalate de bis Benzyle et de Butyle|PHTHALATE, BENZYLBUTYL-|PHTHALATE, BUTYL BENZYL|Phthalic acid, benzyl butyl ester|PHTHALSAEURE-BENZYL-BUTYL-ESTER|Sant 160|Santicizer 160|Santicizer C 160|Santicizer S 160|Sicol 160|Spatozoate|UNII-YPC4PJX59M|Unimoll BB|58128-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020205 https://doi.org/10.22427/NTP-DATA-DTXSID3020205
ERPathway2016 ERPathway2016_205 Benzyl butyl phthalate 85-68-7 DTXSID3020205 Agonist ER Pathway Model, Agonist Model Score 0.179 Unitless CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl butyl phthalate 85-68-7|Benzyl butyl phthalate|1,2-Benzenedicarboxylic acid butyl phenylmethyl ester|1,2-Benzenedicarboxylic acid, 1-butyl 2-(phenylmethyl) ester|1,2-BENZENEDICARBOXYLIC ACID, BUTYL PHENYL METHYL ESTER|1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester|BBP|Benzyl butylphthalate|Benzyl n-butyl phthalate|Benzyl-butylester kyseliny ftalove|Benzylbutylphthalat|BRN 2062204|Butyl phenylmethyl 1,2-benzenedicarboxylate|Butylbenzyl phthalate|BzBP|Caswell No. 125G|Diacizer D 160|EINECS 201-622-7|ftalato de bencilo y butilo|Ketjenflex 160|n-Butyl benzyl phthalate|n-Butyl benzyl phthalate diester|NCI-C54375|NSC 71001|Palatinol BB|Phtalate de benzyle et de butyle|Phtalate de bis Benzyle et de Butyle|PHTHALATE, BENZYLBUTYL-|PHTHALATE, BUTYL BENZYL|Phthalic acid, benzyl butyl ester|PHTHALSAEURE-BENZYL-BUTYL-ESTER|Sant 160|Santicizer 160|Santicizer C 160|Santicizer S 160|Sicol 160|Spatozoate|UNII-YPC4PJX59M|Unimoll BB|58128-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020205 https://doi.org/10.22427/NTP-DATA-DTXSID3020205
ERPathway2016 ERPathway2016_205 Benzyl butyl phthalate 85-68-7 DTXSID3020205 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl butyl phthalate 85-68-7|Benzyl butyl phthalate|1,2-Benzenedicarboxylic acid butyl phenylmethyl ester|1,2-Benzenedicarboxylic acid, 1-butyl 2-(phenylmethyl) ester|1,2-BENZENEDICARBOXYLIC ACID, BUTYL PHENYL METHYL ESTER|1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester|BBP|Benzyl butylphthalate|Benzyl n-butyl phthalate|Benzyl-butylester kyseliny ftalove|Benzylbutylphthalat|BRN 2062204|Butyl phenylmethyl 1,2-benzenedicarboxylate|Butylbenzyl phthalate|BzBP|Caswell No. 125G|Diacizer D 160|EINECS 201-622-7|ftalato de bencilo y butilo|Ketjenflex 160|n-Butyl benzyl phthalate|n-Butyl benzyl phthalate diester|NCI-C54375|NSC 71001|Palatinol BB|Phtalate de benzyle et de butyle|Phtalate de bis Benzyle et de Butyle|PHTHALATE, BENZYLBUTYL-|PHTHALATE, BUTYL BENZYL|Phthalic acid, benzyl butyl ester|PHTHALSAEURE-BENZYL-BUTYL-ESTER|Sant 160|Santicizer 160|Santicizer C 160|Santicizer S 160|Sicol 160|Spatozoate|UNII-YPC4PJX59M|Unimoll BB|58128-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020205 https://doi.org/10.22427/NTP-DATA-DTXSID3020205
ERPathway2016 ERPathway2016_205 Benzyl butyl phthalate 85-68-7 DTXSID3020205 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl butyl phthalate 85-68-7|Benzyl butyl phthalate|1,2-Benzenedicarboxylic acid butyl phenylmethyl ester|1,2-Benzenedicarboxylic acid, 1-butyl 2-(phenylmethyl) ester|1,2-BENZENEDICARBOXYLIC ACID, BUTYL PHENYL METHYL ESTER|1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester|BBP|Benzyl butylphthalate|Benzyl n-butyl phthalate|Benzyl-butylester kyseliny ftalove|Benzylbutylphthalat|BRN 2062204|Butyl phenylmethyl 1,2-benzenedicarboxylate|Butylbenzyl phthalate|BzBP|Caswell No. 125G|Diacizer D 160|EINECS 201-622-7|ftalato de bencilo y butilo|Ketjenflex 160|n-Butyl benzyl phthalate|n-Butyl benzyl phthalate diester|NCI-C54375|NSC 71001|Palatinol BB|Phtalate de benzyle et de butyle|Phtalate de bis Benzyle et de Butyle|PHTHALATE, BENZYLBUTYL-|PHTHALATE, BUTYL BENZYL|Phthalic acid, benzyl butyl ester|PHTHALSAEURE-BENZYL-BUTYL-ESTER|Sant 160|Santicizer 160|Santicizer C 160|Santicizer S 160|Sicol 160|Spatozoate|UNII-YPC4PJX59M|Unimoll BB|58128-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020205 https://doi.org/10.22427/NTP-DATA-DTXSID3020205
ERPathway2016 ERPathway2016_205 Benzyl butyl phthalate 85-68-7 DTXSID3020205 Agonist ER Pathway Model, Antagonist Call Active Unitless CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl butyl phthalate 85-68-7|Benzyl butyl phthalate|1,2-Benzenedicarboxylic acid butyl phenylmethyl ester|1,2-Benzenedicarboxylic acid, 1-butyl 2-(phenylmethyl) ester|1,2-BENZENEDICARBOXYLIC ACID, BUTYL PHENYL METHYL ESTER|1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester|BBP|Benzyl butylphthalate|Benzyl n-butyl phthalate|Benzyl-butylester kyseliny ftalove|Benzylbutylphthalat|BRN 2062204|Butyl phenylmethyl 1,2-benzenedicarboxylate|Butylbenzyl phthalate|BzBP|Caswell No. 125G|Diacizer D 160|EINECS 201-622-7|ftalato de bencilo y butilo|Ketjenflex 160|n-Butyl benzyl phthalate|n-Butyl benzyl phthalate diester|NCI-C54375|NSC 71001|Palatinol BB|Phtalate de benzyle et de butyle|Phtalate de bis Benzyle et de Butyle|PHTHALATE, BENZYLBUTYL-|PHTHALATE, BUTYL BENZYL|Phthalic acid, benzyl butyl ester|PHTHALSAEURE-BENZYL-BUTYL-ESTER|Sant 160|Santicizer 160|Santicizer C 160|Santicizer S 160|Sicol 160|Spatozoate|UNII-YPC4PJX59M|Unimoll BB|58128-78-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020205 https://doi.org/10.22427/NTP-DATA-DTXSID3020205
ARPathway2016 ARPathway2016_438 Benzyl cinnamate 103-41-3 DTXSID3041663 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C(OCC1=CC=CC=C1)C=CC1=CC=CC=C1 Benzyl cinnamate 103-41-3|Benzyl cinnamate|2-Propenoic acid, 3-phenyl-, phenylmethyl ester|203-109-3|3-Phenyl-2-propenoic acid phenylmethyl ester|Benzyl 3-phenylpropenoate|Benzyl alcohol, cinnamate|Benzyl alcohol, cinnamic ester|Benzyl gamma-phenylacrylate|Benzyl-3-phenylpropenoate|Benzylcinnamate|Benzylcinnamoate|Benzylester kyseliny skoricove|Cinnamein|EC No.: 203-109-3|EINECS 203-109-3|FEMA No. 2142|NCCF 100|NCCF 300|NCCF 4000|NSC 11780|NSC 44403|trans-Cinnamic acid benzyl ester|UNII-V67O3RO97U|8014-16-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041663
ARPathway2016 ARPathway2016_438 Benzyl cinnamate 103-41-3 DTXSID3041663 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C(OCC1=CC=CC=C1)C=CC1=CC=CC=C1 Benzyl cinnamate 103-41-3|Benzyl cinnamate|2-Propenoic acid, 3-phenyl-, phenylmethyl ester|203-109-3|3-Phenyl-2-propenoic acid phenylmethyl ester|Benzyl 3-phenylpropenoate|Benzyl alcohol, cinnamate|Benzyl alcohol, cinnamic ester|Benzyl gamma-phenylacrylate|Benzyl-3-phenylpropenoate|Benzylcinnamate|Benzylcinnamoate|Benzylester kyseliny skoricove|Cinnamein|EC No.: 203-109-3|EINECS 203-109-3|FEMA No. 2142|NCCF 100|NCCF 300|NCCF 4000|NSC 11780|NSC 44403|trans-Cinnamic acid benzyl ester|UNII-V67O3RO97U|8014-16-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041663
ARPathway2016 ARPathway2016_438 Benzyl cinnamate 103-41-3 DTXSID3041663 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C(OCC1=CC=CC=C1)C=CC1=CC=CC=C1 Benzyl cinnamate 103-41-3|Benzyl cinnamate|2-Propenoic acid, 3-phenyl-, phenylmethyl ester|203-109-3|3-Phenyl-2-propenoic acid phenylmethyl ester|Benzyl 3-phenylpropenoate|Benzyl alcohol, cinnamate|Benzyl alcohol, cinnamic ester|Benzyl gamma-phenylacrylate|Benzyl-3-phenylpropenoate|Benzylcinnamate|Benzylcinnamoate|Benzylester kyseliny skoricove|Cinnamein|EC No.: 203-109-3|EINECS 203-109-3|FEMA No. 2142|NCCF 100|NCCF 300|NCCF 4000|NSC 11780|NSC 44403|trans-Cinnamic acid benzyl ester|UNII-V67O3RO97U|8014-16-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041663
ARPathway2016 ARPathway2016_438 Benzyl cinnamate 103-41-3 DTXSID3041663 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C(OCC1=CC=CC=C1)C=CC1=CC=CC=C1 Benzyl cinnamate 103-41-3|Benzyl cinnamate|2-Propenoic acid, 3-phenyl-, phenylmethyl ester|203-109-3|3-Phenyl-2-propenoic acid phenylmethyl ester|Benzyl 3-phenylpropenoate|Benzyl alcohol, cinnamate|Benzyl alcohol, cinnamic ester|Benzyl gamma-phenylacrylate|Benzyl-3-phenylpropenoate|Benzylcinnamate|Benzylcinnamoate|Benzylester kyseliny skoricove|Cinnamein|EC No.: 203-109-3|EINECS 203-109-3|FEMA No. 2142|NCCF 100|NCCF 300|NCCF 4000|NSC 11780|NSC 44403|trans-Cinnamic acid benzyl ester|UNII-V67O3RO97U|8014-16-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041663
ERPathway2016 ERPathway2016_808 Benzyl cinnamate 103-41-3 DTXSID3041663 A15 ER Pathway Model, Agonist Model Score 0 Unitless O=C(OCC1=CC=CC=C1)C=CC1=CC=CC=C1 Benzyl cinnamate 103-41-3|Benzyl cinnamate|2-Propenoic acid, 3-phenyl-, phenylmethyl ester|203-109-3|3-Phenyl-2-propenoic acid phenylmethyl ester|Benzyl 3-phenylpropenoate|Benzyl alcohol, cinnamate|Benzyl alcohol, cinnamic ester|Benzyl gamma-phenylacrylate|Benzyl-3-phenylpropenoate|Benzylcinnamate|Benzylcinnamoate|Benzylester kyseliny skoricove|Cinnamein|EC No.: 203-109-3|EINECS 203-109-3|FEMA No. 2142|NCCF 100|NCCF 300|NCCF 4000|NSC 11780|NSC 44403|trans-Cinnamic acid benzyl ester|UNII-V67O3RO97U|8014-16-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041663
ERPathway2016 ERPathway2016_808 Benzyl cinnamate 103-41-3 DTXSID3041663 A15 ER Pathway Model, Antagonist Model Score 0 Unitless O=C(OCC1=CC=CC=C1)C=CC1=CC=CC=C1 Benzyl cinnamate 103-41-3|Benzyl cinnamate|2-Propenoic acid, 3-phenyl-, phenylmethyl ester|203-109-3|3-Phenyl-2-propenoic acid phenylmethyl ester|Benzyl 3-phenylpropenoate|Benzyl alcohol, cinnamate|Benzyl alcohol, cinnamic ester|Benzyl gamma-phenylacrylate|Benzyl-3-phenylpropenoate|Benzylcinnamate|Benzylcinnamoate|Benzylester kyseliny skoricove|Cinnamein|EC No.: 203-109-3|EINECS 203-109-3|FEMA No. 2142|NCCF 100|NCCF 300|NCCF 4000|NSC 11780|NSC 44403|trans-Cinnamic acid benzyl ester|UNII-V67O3RO97U|8014-16-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041663
ERPathway2016 ERPathway2016_808 Benzyl cinnamate 103-41-3 DTXSID3041663 A15 ER Pathway Model, Agonist Call Inactive Unitless O=C(OCC1=CC=CC=C1)C=CC1=CC=CC=C1 Benzyl cinnamate 103-41-3|Benzyl cinnamate|2-Propenoic acid, 3-phenyl-, phenylmethyl ester|203-109-3|3-Phenyl-2-propenoic acid phenylmethyl ester|Benzyl 3-phenylpropenoate|Benzyl alcohol, cinnamate|Benzyl alcohol, cinnamic ester|Benzyl gamma-phenylacrylate|Benzyl-3-phenylpropenoate|Benzylcinnamate|Benzylcinnamoate|Benzylester kyseliny skoricove|Cinnamein|EC No.: 203-109-3|EINECS 203-109-3|FEMA No. 2142|NCCF 100|NCCF 300|NCCF 4000|NSC 11780|NSC 44403|trans-Cinnamic acid benzyl ester|UNII-V67O3RO97U|8014-16-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041663
ERPathway2016 ERPathway2016_808 Benzyl cinnamate 103-41-3 DTXSID3041663 A15 ER Pathway Model, Antagonist Call Inactive Unitless O=C(OCC1=CC=CC=C1)C=CC1=CC=CC=C1 Benzyl cinnamate 103-41-3|Benzyl cinnamate|2-Propenoic acid, 3-phenyl-, phenylmethyl ester|203-109-3|3-Phenyl-2-propenoic acid phenylmethyl ester|Benzyl 3-phenylpropenoate|Benzyl alcohol, cinnamate|Benzyl alcohol, cinnamic ester|Benzyl gamma-phenylacrylate|Benzyl-3-phenylpropenoate|Benzylcinnamate|Benzylcinnamoate|Benzylester kyseliny skoricove|Cinnamein|EC No.: 203-109-3|EINECS 203-109-3|FEMA No. 2142|NCCF 100|NCCF 300|NCCF 4000|NSC 11780|NSC 44403|trans-Cinnamic acid benzyl ester|UNII-V67O3RO97U|8014-16-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041663
ARPathway2016 ARPathway2016_648 Benzyl salicylate 118-58-1 DTXSID1024598 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl salicylate 118-58-1|Benzyl salicylate|204-262-9|4-10-00-00157|Benzoic acid, 2-hydroxy-, phenylmethyl ester|Benzyl 2-hydroxybenzoate|Benzyl o-hydroxybenzoate|BRN 2115365|EC No.: 204-262-9|EINECS 204-262-9|FEMA No. 2151|NSC 6647|Salicyclic acid, benzyl ester|Salicylsaeurebenzylester|UNII-WAO5MNK9TU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024598 https://doi.org/10.22427/NTP-DATA-DTXSID1024598
ARPathway2016 ARPathway2016_648 Benzyl salicylate 118-58-1 DTXSID1024598 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl salicylate 118-58-1|Benzyl salicylate|204-262-9|4-10-00-00157|Benzoic acid, 2-hydroxy-, phenylmethyl ester|Benzyl 2-hydroxybenzoate|Benzyl o-hydroxybenzoate|BRN 2115365|EC No.: 204-262-9|EINECS 204-262-9|FEMA No. 2151|NSC 6647|Salicyclic acid, benzyl ester|Salicylsaeurebenzylester|UNII-WAO5MNK9TU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024598 https://doi.org/10.22427/NTP-DATA-DTXSID1024598
ARPathway2016 ARPathway2016_648 Benzyl salicylate 118-58-1 DTXSID1024598 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl salicylate 118-58-1|Benzyl salicylate|204-262-9|4-10-00-00157|Benzoic acid, 2-hydroxy-, phenylmethyl ester|Benzyl 2-hydroxybenzoate|Benzyl o-hydroxybenzoate|BRN 2115365|EC No.: 204-262-9|EINECS 204-262-9|FEMA No. 2151|NSC 6647|Salicyclic acid, benzyl ester|Salicylsaeurebenzylester|UNII-WAO5MNK9TU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024598 https://doi.org/10.22427/NTP-DATA-DTXSID1024598
ARPathway2016 ARPathway2016_648 Benzyl salicylate 118-58-1 DTXSID1024598 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl salicylate 118-58-1|Benzyl salicylate|204-262-9|4-10-00-00157|Benzoic acid, 2-hydroxy-, phenylmethyl ester|Benzyl 2-hydroxybenzoate|Benzyl o-hydroxybenzoate|BRN 2115365|EC No.: 204-262-9|EINECS 204-262-9|FEMA No. 2151|NSC 6647|Salicyclic acid, benzyl ester|Salicylsaeurebenzylester|UNII-WAO5MNK9TU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024598 https://doi.org/10.22427/NTP-DATA-DTXSID1024598
ERPathway2016 ERPathway2016_375 Benzyl salicylate 118-58-1 DTXSID1024598 ER Pathway Model, Antagonist AC50 53.9165290737662 uM OC1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl salicylate 118-58-1|Benzyl salicylate|204-262-9|4-10-00-00157|Benzoic acid, 2-hydroxy-, phenylmethyl ester|Benzyl 2-hydroxybenzoate|Benzyl o-hydroxybenzoate|BRN 2115365|EC No.: 204-262-9|EINECS 204-262-9|FEMA No. 2151|NSC 6647|Salicyclic acid, benzyl ester|Salicylsaeurebenzylester|UNII-WAO5MNK9TU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024598 https://doi.org/10.22427/NTP-DATA-DTXSID1024598
ERPathway2016 ERPathway2016_375 Benzyl salicylate 118-58-1 DTXSID1024598 ER Pathway Model, Antagonist ACC 42.9334269653505 uM OC1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl salicylate 118-58-1|Benzyl salicylate|204-262-9|4-10-00-00157|Benzoic acid, 2-hydroxy-, phenylmethyl ester|Benzyl 2-hydroxybenzoate|Benzyl o-hydroxybenzoate|BRN 2115365|EC No.: 204-262-9|EINECS 204-262-9|FEMA No. 2151|NSC 6647|Salicyclic acid, benzyl ester|Salicylsaeurebenzylester|UNII-WAO5MNK9TU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024598 https://doi.org/10.22427/NTP-DATA-DTXSID1024598
ERPathway2016 ERPathway2016_375 Benzyl salicylate 118-58-1 DTXSID1024598 ER Pathway Model, Agonist Model Score 0.013 Unitless OC1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl salicylate 118-58-1|Benzyl salicylate|204-262-9|4-10-00-00157|Benzoic acid, 2-hydroxy-, phenylmethyl ester|Benzyl 2-hydroxybenzoate|Benzyl o-hydroxybenzoate|BRN 2115365|EC No.: 204-262-9|EINECS 204-262-9|FEMA No. 2151|NSC 6647|Salicyclic acid, benzyl ester|Salicylsaeurebenzylester|UNII-WAO5MNK9TU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024598 https://doi.org/10.22427/NTP-DATA-DTXSID1024598
ERPathway2016 ERPathway2016_375 Benzyl salicylate 118-58-1 DTXSID1024598 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl salicylate 118-58-1|Benzyl salicylate|204-262-9|4-10-00-00157|Benzoic acid, 2-hydroxy-, phenylmethyl ester|Benzyl 2-hydroxybenzoate|Benzyl o-hydroxybenzoate|BRN 2115365|EC No.: 204-262-9|EINECS 204-262-9|FEMA No. 2151|NSC 6647|Salicyclic acid, benzyl ester|Salicylsaeurebenzylester|UNII-WAO5MNK9TU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024598 https://doi.org/10.22427/NTP-DATA-DTXSID1024598
ERPathway2016 ERPathway2016_375 Benzyl salicylate 118-58-1 DTXSID1024598 ER Pathway Model, Agonist Call Inactive Unitless OC1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl salicylate 118-58-1|Benzyl salicylate|204-262-9|4-10-00-00157|Benzoic acid, 2-hydroxy-, phenylmethyl ester|Benzyl 2-hydroxybenzoate|Benzyl o-hydroxybenzoate|BRN 2115365|EC No.: 204-262-9|EINECS 204-262-9|FEMA No. 2151|NSC 6647|Salicyclic acid, benzyl ester|Salicylsaeurebenzylester|UNII-WAO5MNK9TU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024598 https://doi.org/10.22427/NTP-DATA-DTXSID1024598
ERPathway2016 ERPathway2016_375 Benzyl salicylate 118-58-1 DTXSID1024598 ER Pathway Model, Antagonist Call Active Unitless OC1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Benzyl salicylate 118-58-1|Benzyl salicylate|204-262-9|4-10-00-00157|Benzoic acid, 2-hydroxy-, phenylmethyl ester|Benzyl 2-hydroxybenzoate|Benzyl o-hydroxybenzoate|BRN 2115365|EC No.: 204-262-9|EINECS 204-262-9|FEMA No. 2151|NSC 6647|Salicyclic acid, benzyl ester|Salicylsaeurebenzylester|UNII-WAO5MNK9TU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024598 https://doi.org/10.22427/NTP-DATA-DTXSID1024598
ARPathway2016 ARPathway2016_240 Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2 DTXSID1048122 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 19.46427686 uM Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2|Benzyl-C8-18-alkyldimethylammonium chlorides|ADBAC (C8, C10, C12, C14, C16, C18)|Alkylbenzyldimethylammonium chlorides, benzyl-C8-18-alkyldimethyl|Alkyldimethylbenzylammonium chloride|Arquad B|Arquad B 100|Arquad B 50|BENZALKONIUM CHLORIDE|C8-18-Alkydimethylbenzyl ammonium chlorides|Cation F2 50|EINECS 264-151-6|Nissan Cation F2 50|Quaternary ammonium compounds, benzyl-(C8-18)-alkyldimethyl, chlorides|quaternary ammonium compounds, benzyl-C8-18-alkyldimethyl, chlorides|Quaternary ammonium compounds, benzyl- C8- 18- alkyldimethyl, chlorides|Roccal|Tret-O-lite XC 511|50957-62-5|51004-71-8|51668-62-3|69344-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048122
ARPathway2016 ARPathway2016_240 Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2 DTXSID1048122 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 12.1015801370217 uM Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2|Benzyl-C8-18-alkyldimethylammonium chlorides|ADBAC (C8, C10, C12, C14, C16, C18)|Alkylbenzyldimethylammonium chlorides, benzyl-C8-18-alkyldimethyl|Alkyldimethylbenzylammonium chloride|Arquad B|Arquad B 100|Arquad B 50|BENZALKONIUM CHLORIDE|C8-18-Alkydimethylbenzyl ammonium chlorides|Cation F2 50|EINECS 264-151-6|Nissan Cation F2 50|Quaternary ammonium compounds, benzyl-(C8-18)-alkyldimethyl, chlorides|quaternary ammonium compounds, benzyl-C8-18-alkyldimethyl, chlorides|Quaternary ammonium compounds, benzyl- C8- 18- alkyldimethyl, chlorides|Roccal|Tret-O-lite XC 511|50957-62-5|51004-71-8|51668-62-3|69344-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048122
ARPathway2016 ARPathway2016_240 Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2 DTXSID1048122 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0727 Unitless Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2|Benzyl-C8-18-alkyldimethylammonium chlorides|ADBAC (C8, C10, C12, C14, C16, C18)|Alkylbenzyldimethylammonium chlorides, benzyl-C8-18-alkyldimethyl|Alkyldimethylbenzylammonium chloride|Arquad B|Arquad B 100|Arquad B 50|BENZALKONIUM CHLORIDE|C8-18-Alkydimethylbenzyl ammonium chlorides|Cation F2 50|EINECS 264-151-6|Nissan Cation F2 50|Quaternary ammonium compounds, benzyl-(C8-18)-alkyldimethyl, chlorides|quaternary ammonium compounds, benzyl-C8-18-alkyldimethyl, chlorides|Quaternary ammonium compounds, benzyl- C8- 18- alkyldimethyl, chlorides|Roccal|Tret-O-lite XC 511|50957-62-5|51004-71-8|51668-62-3|69344-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048122
ARPathway2016 ARPathway2016_240 Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2 DTXSID1048122 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0.0113 Unitless Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2|Benzyl-C8-18-alkyldimethylammonium chlorides|ADBAC (C8, C10, C12, C14, C16, C18)|Alkylbenzyldimethylammonium chlorides, benzyl-C8-18-alkyldimethyl|Alkyldimethylbenzylammonium chloride|Arquad B|Arquad B 100|Arquad B 50|BENZALKONIUM CHLORIDE|C8-18-Alkydimethylbenzyl ammonium chlorides|Cation F2 50|EINECS 264-151-6|Nissan Cation F2 50|Quaternary ammonium compounds, benzyl-(C8-18)-alkyldimethyl, chlorides|quaternary ammonium compounds, benzyl-C8-18-alkyldimethyl, chlorides|Quaternary ammonium compounds, benzyl- C8- 18- alkyldimethyl, chlorides|Roccal|Tret-O-lite XC 511|50957-62-5|51004-71-8|51668-62-3|69344-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048122
ARPathway2016 ARPathway2016_240 Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2 DTXSID1048122 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2|Benzyl-C8-18-alkyldimethylammonium chlorides|ADBAC (C8, C10, C12, C14, C16, C18)|Alkylbenzyldimethylammonium chlorides, benzyl-C8-18-alkyldimethyl|Alkyldimethylbenzylammonium chloride|Arquad B|Arquad B 100|Arquad B 50|BENZALKONIUM CHLORIDE|C8-18-Alkydimethylbenzyl ammonium chlorides|Cation F2 50|EINECS 264-151-6|Nissan Cation F2 50|Quaternary ammonium compounds, benzyl-(C8-18)-alkyldimethyl, chlorides|quaternary ammonium compounds, benzyl-C8-18-alkyldimethyl, chlorides|Quaternary ammonium compounds, benzyl- C8- 18- alkyldimethyl, chlorides|Roccal|Tret-O-lite XC 511|50957-62-5|51004-71-8|51668-62-3|69344-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048122
ARPathway2016 ARPathway2016_240 Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2 DTXSID1048122 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2|Benzyl-C8-18-alkyldimethylammonium chlorides|ADBAC (C8, C10, C12, C14, C16, C18)|Alkylbenzyldimethylammonium chlorides, benzyl-C8-18-alkyldimethyl|Alkyldimethylbenzylammonium chloride|Arquad B|Arquad B 100|Arquad B 50|BENZALKONIUM CHLORIDE|C8-18-Alkydimethylbenzyl ammonium chlorides|Cation F2 50|EINECS 264-151-6|Nissan Cation F2 50|Quaternary ammonium compounds, benzyl-(C8-18)-alkyldimethyl, chlorides|quaternary ammonium compounds, benzyl-C8-18-alkyldimethyl, chlorides|Quaternary ammonium compounds, benzyl- C8- 18- alkyldimethyl, chlorides|Roccal|Tret-O-lite XC 511|50957-62-5|51004-71-8|51668-62-3|69344-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048122
ERPathway2016 ERPathway2016_305 Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2 DTXSID1048122 ER Pathway Model, Antagonist AC50 7.35312207838896 uM Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2|Benzyl-C8-18-alkyldimethylammonium chlorides|ADBAC (C8, C10, C12, C14, C16, C18)|Alkylbenzyldimethylammonium chlorides, benzyl-C8-18-alkyldimethyl|Alkyldimethylbenzylammonium chloride|Arquad B|Arquad B 100|Arquad B 50|BENZALKONIUM CHLORIDE|C8-18-Alkydimethylbenzyl ammonium chlorides|Cation F2 50|EINECS 264-151-6|Nissan Cation F2 50|Quaternary ammonium compounds, benzyl-(C8-18)-alkyldimethyl, chlorides|quaternary ammonium compounds, benzyl-C8-18-alkyldimethyl, chlorides|Quaternary ammonium compounds, benzyl- C8- 18- alkyldimethyl, chlorides|Roccal|Tret-O-lite XC 511|50957-62-5|51004-71-8|51668-62-3|69344-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048122
ERPathway2016 ERPathway2016_305 Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2 DTXSID1048122 ER Pathway Model, Antagonist ACC 7.2386938009956 uM Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2|Benzyl-C8-18-alkyldimethylammonium chlorides|ADBAC (C8, C10, C12, C14, C16, C18)|Alkylbenzyldimethylammonium chlorides, benzyl-C8-18-alkyldimethyl|Alkyldimethylbenzylammonium chloride|Arquad B|Arquad B 100|Arquad B 50|BENZALKONIUM CHLORIDE|C8-18-Alkydimethylbenzyl ammonium chlorides|Cation F2 50|EINECS 264-151-6|Nissan Cation F2 50|Quaternary ammonium compounds, benzyl-(C8-18)-alkyldimethyl, chlorides|quaternary ammonium compounds, benzyl-C8-18-alkyldimethyl, chlorides|Quaternary ammonium compounds, benzyl- C8- 18- alkyldimethyl, chlorides|Roccal|Tret-O-lite XC 511|50957-62-5|51004-71-8|51668-62-3|69344-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048122
ERPathway2016 ERPathway2016_305 Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2 DTXSID1048122 ER Pathway Model, Agonist Model Score 0.0312 Unitless Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2|Benzyl-C8-18-alkyldimethylammonium chlorides|ADBAC (C8, C10, C12, C14, C16, C18)|Alkylbenzyldimethylammonium chlorides, benzyl-C8-18-alkyldimethyl|Alkyldimethylbenzylammonium chloride|Arquad B|Arquad B 100|Arquad B 50|BENZALKONIUM CHLORIDE|C8-18-Alkydimethylbenzyl ammonium chlorides|Cation F2 50|EINECS 264-151-6|Nissan Cation F2 50|Quaternary ammonium compounds, benzyl-(C8-18)-alkyldimethyl, chlorides|quaternary ammonium compounds, benzyl-C8-18-alkyldimethyl, chlorides|Quaternary ammonium compounds, benzyl- C8- 18- alkyldimethyl, chlorides|Roccal|Tret-O-lite XC 511|50957-62-5|51004-71-8|51668-62-3|69344-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048122
ERPathway2016 ERPathway2016_305 Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2 DTXSID1048122 ER Pathway Model, Antagonist Model Score 0.029 Unitless Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2|Benzyl-C8-18-alkyldimethylammonium chlorides|ADBAC (C8, C10, C12, C14, C16, C18)|Alkylbenzyldimethylammonium chlorides, benzyl-C8-18-alkyldimethyl|Alkyldimethylbenzylammonium chloride|Arquad B|Arquad B 100|Arquad B 50|BENZALKONIUM CHLORIDE|C8-18-Alkydimethylbenzyl ammonium chlorides|Cation F2 50|EINECS 264-151-6|Nissan Cation F2 50|Quaternary ammonium compounds, benzyl-(C8-18)-alkyldimethyl, chlorides|quaternary ammonium compounds, benzyl-C8-18-alkyldimethyl, chlorides|Quaternary ammonium compounds, benzyl- C8- 18- alkyldimethyl, chlorides|Roccal|Tret-O-lite XC 511|50957-62-5|51004-71-8|51668-62-3|69344-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048122
ERPathway2016 ERPathway2016_305 Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2 DTXSID1048122 ER Pathway Model, Agonist Call Inactive Unitless Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2|Benzyl-C8-18-alkyldimethylammonium chlorides|ADBAC (C8, C10, C12, C14, C16, C18)|Alkylbenzyldimethylammonium chlorides, benzyl-C8-18-alkyldimethyl|Alkyldimethylbenzylammonium chloride|Arquad B|Arquad B 100|Arquad B 50|BENZALKONIUM CHLORIDE|C8-18-Alkydimethylbenzyl ammonium chlorides|Cation F2 50|EINECS 264-151-6|Nissan Cation F2 50|Quaternary ammonium compounds, benzyl-(C8-18)-alkyldimethyl, chlorides|quaternary ammonium compounds, benzyl-C8-18-alkyldimethyl, chlorides|Quaternary ammonium compounds, benzyl- C8- 18- alkyldimethyl, chlorides|Roccal|Tret-O-lite XC 511|50957-62-5|51004-71-8|51668-62-3|69344-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048122
ERPathway2016 ERPathway2016_305 Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2 DTXSID1048122 ER Pathway Model, Antagonist Call Active Unitless Benzyl-C8-18-alkyldimethylammonium chlorides 63449-41-2|Benzyl-C8-18-alkyldimethylammonium chlorides|ADBAC (C8, C10, C12, C14, C16, C18)|Alkylbenzyldimethylammonium chlorides, benzyl-C8-18-alkyldimethyl|Alkyldimethylbenzylammonium chloride|Arquad B|Arquad B 100|Arquad B 50|BENZALKONIUM CHLORIDE|C8-18-Alkydimethylbenzyl ammonium chlorides|Cation F2 50|EINECS 264-151-6|Nissan Cation F2 50|Quaternary ammonium compounds, benzyl-(C8-18)-alkyldimethyl, chlorides|quaternary ammonium compounds, benzyl-C8-18-alkyldimethyl, chlorides|Quaternary ammonium compounds, benzyl- C8- 18- alkyldimethyl, chlorides|Roccal|Tret-O-lite XC 511|50957-62-5|51004-71-8|51668-62-3|69344-71-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048122
ARPathway2016 ARPathway2016_1355 Benzyloctyl adipate 58394-64-2 DTXSID1047528 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)CCCCC(=O)OCC1=CC=CC=C1 Benzyloctyl adipate 58394-64-2|Benzyloctyl adipate|Adimoll BO|Benzyl 2-ethylhexyl adipate|BOA|EINECS 261-234-9|Hexanedioic acid, 2-ethylhexyl phenylmethyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047528
ARPathway2016 ARPathway2016_1355 Benzyloctyl adipate 58394-64-2 DTXSID1047528 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)CCCCC(=O)OCC1=CC=CC=C1 Benzyloctyl adipate 58394-64-2|Benzyloctyl adipate|Adimoll BO|Benzyl 2-ethylhexyl adipate|BOA|EINECS 261-234-9|Hexanedioic acid, 2-ethylhexyl phenylmethyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047528
ARPathway2016 ARPathway2016_1355 Benzyloctyl adipate 58394-64-2 DTXSID1047528 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)CCCCC(=O)OCC1=CC=CC=C1 Benzyloctyl adipate 58394-64-2|Benzyloctyl adipate|Adimoll BO|Benzyl 2-ethylhexyl adipate|BOA|EINECS 261-234-9|Hexanedioic acid, 2-ethylhexyl phenylmethyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047528
ARPathway2016 ARPathway2016_1355 Benzyloctyl adipate 58394-64-2 DTXSID1047528 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)CCCCC(=O)OCC1=CC=CC=C1 Benzyloctyl adipate 58394-64-2|Benzyloctyl adipate|Adimoll BO|Benzyl 2-ethylhexyl adipate|BOA|EINECS 261-234-9|Hexanedioic acid, 2-ethylhexyl phenylmethyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047528
ERPathway2016 ERPathway2016_1555 Benzyloctyl adipate 58394-64-2 DTXSID1047528 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)CCCCC(=O)OCC1=CC=CC=C1 Benzyloctyl adipate 58394-64-2|Benzyloctyl adipate|Adimoll BO|Benzyl 2-ethylhexyl adipate|BOA|EINECS 261-234-9|Hexanedioic acid, 2-ethylhexyl phenylmethyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047528
ERPathway2016 ERPathway2016_1555 Benzyloctyl adipate 58394-64-2 DTXSID1047528 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)CCCCC(=O)OCC1=CC=CC=C1 Benzyloctyl adipate 58394-64-2|Benzyloctyl adipate|Adimoll BO|Benzyl 2-ethylhexyl adipate|BOA|EINECS 261-234-9|Hexanedioic acid, 2-ethylhexyl phenylmethyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047528
ERPathway2016 ERPathway2016_1555 Benzyloctyl adipate 58394-64-2 DTXSID1047528 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)CCCCC(=O)OCC1=CC=CC=C1 Benzyloctyl adipate 58394-64-2|Benzyloctyl adipate|Adimoll BO|Benzyl 2-ethylhexyl adipate|BOA|EINECS 261-234-9|Hexanedioic acid, 2-ethylhexyl phenylmethyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047528
ERPathway2016 ERPathway2016_1555 Benzyloctyl adipate 58394-64-2 DTXSID1047528 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)CCCCC(=O)OCC1=CC=CC=C1 Benzyloctyl adipate 58394-64-2|Benzyloctyl adipate|Adimoll BO|Benzyl 2-ethylhexyl adipate|BOA|EINECS 261-234-9|Hexanedioic acid, 2-ethylhexyl phenylmethyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047528
ARPathway2016 ARPathway2016_1052 Besonprodil 253450-09-8 DTXSID2047270 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless FC1=CC=C(CC2CCN(CCS(=O)C3=CC=C4NC(=O)OC4=C3)CC2)C=C1 Besonprodil 253450-09-8|Besonprodil|CI-1041|Co 200461|PD 0196860|UNII-5K3N2D15WW https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047270
ARPathway2016 ARPathway2016_1052 Besonprodil 253450-09-8 DTXSID2047270 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless FC1=CC=C(CC2CCN(CCS(=O)C3=CC=C4NC(=O)OC4=C3)CC2)C=C1 Besonprodil 253450-09-8|Besonprodil|CI-1041|Co 200461|PD 0196860|UNII-5K3N2D15WW https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047270
ARPathway2016 ARPathway2016_1052 Besonprodil 253450-09-8 DTXSID2047270 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Call Inactive Unitless FC1=CC=C(CC2CCN(CCS(=O)C3=CC=C4NC(=O)OC4=C3)CC2)C=C1 Besonprodil 253450-09-8|Besonprodil|CI-1041|Co 200461|PD 0196860|UNII-5K3N2D15WW https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047270
ARPathway2016 ARPathway2016_1052 Besonprodil 253450-09-8 DTXSID2047270 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless FC1=CC=C(CC2CCN(CCS(=O)C3=CC=C4NC(=O)OC4=C3)CC2)C=C1 Besonprodil 253450-09-8|Besonprodil|CI-1041|Co 200461|PD 0196860|UNII-5K3N2D15WW https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047270
ERPathway2016 ERPathway2016_774 Besonprodil 253450-09-8 DTXSID2047270 A15 ER Pathway Model, Agonist Model Score 0 Unitless FC1=CC=C(CC2CCN(CCS(=O)C3=CC=C4NC(=O)OC4=C3)CC2)C=C1 Besonprodil 253450-09-8|Besonprodil|CI-1041|Co 200461|PD 0196860|UNII-5K3N2D15WW https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047270
ERPathway2016 ERPathway2016_774 Besonprodil 253450-09-8 DTXSID2047270 A15 ER Pathway Model, Antagonist Model Score 0 Unitless FC1=CC=C(CC2CCN(CCS(=O)C3=CC=C4NC(=O)OC4=C3)CC2)C=C1 Besonprodil 253450-09-8|Besonprodil|CI-1041|Co 200461|PD 0196860|UNII-5K3N2D15WW https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047270
ERPathway2016 ERPathway2016_774 Besonprodil 253450-09-8 DTXSID2047270 A15 ER Pathway Model, Agonist Call Inactive Unitless FC1=CC=C(CC2CCN(CCS(=O)C3=CC=C4NC(=O)OC4=C3)CC2)C=C1 Besonprodil 253450-09-8|Besonprodil|CI-1041|Co 200461|PD 0196860|UNII-5K3N2D15WW https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047270
ERPathway2016 ERPathway2016_774 Besonprodil 253450-09-8 DTXSID2047270 A15 ER Pathway Model, Antagonist Call Inactive Unitless FC1=CC=C(CC2CCN(CCS(=O)C3=CC=C4NC(=O)OC4=C3)CC2)C=C1 Besonprodil 253450-09-8|Besonprodil|CI-1041|Co 200461|PD 0196860|UNII-5K3N2D15WW https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047270
ARPathway2016 ARPathway2016_1138 beta-Hexachlorocyclohexane 319-85-7 DTXSID7020685 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl beta-Hexachlorocyclohexane 319-85-7|beta-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorcyclohexan|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-hexaclorociclohexano|1-alpha,2-beta,3-alpha,4-beta,5-alpha,6-beta-Hexachlorocyclohexane|4-05-00-00061|BETA-1,2,3,4,5,6-HEXACHLORCYCLOHEXAN|beta-1,2,3,4,5,6-Hexachlorocyclohexane|beta-BHC|beta-HCH|beta-Hexachloran|beta-Hexachlorobenzene|beta-Lindane|BRN 1907338|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2b,3a,4b,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, b-|Cyclohexane, beta-1,2,3,4,5,6-hexachloro-|EINECS 206-271-3|trans-alpha-Benzenehexachloride|UNII-YM80ODM9PD|b-1,2,3,4,5,6-Hexachlorocyclohexane|b-Benzene hexachloride|b-Hexachloran|b-Hexachlorobenzene|b-Hexachlorocyclohexane|b-Lindane https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020685
ARPathway2016 ARPathway2016_1138 beta-Hexachlorocyclohexane 319-85-7 DTXSID7020685 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl beta-Hexachlorocyclohexane 319-85-7|beta-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorcyclohexan|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-hexaclorociclohexano|1-alpha,2-beta,3-alpha,4-beta,5-alpha,6-beta-Hexachlorocyclohexane|4-05-00-00061|BETA-1,2,3,4,5,6-HEXACHLORCYCLOHEXAN|beta-1,2,3,4,5,6-Hexachlorocyclohexane|beta-BHC|beta-HCH|beta-Hexachloran|beta-Hexachlorobenzene|beta-Lindane|BRN 1907338|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2b,3a,4b,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, b-|Cyclohexane, beta-1,2,3,4,5,6-hexachloro-|EINECS 206-271-3|trans-alpha-Benzenehexachloride|UNII-YM80ODM9PD|b-1,2,3,4,5,6-Hexachlorocyclohexane|b-Benzene hexachloride|b-Hexachloran|b-Hexachlorobenzene|b-Hexachlorocyclohexane|b-Lindane https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020685
ARPathway2016 ARPathway2016_1138 beta-Hexachlorocyclohexane 319-85-7 DTXSID7020685 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl beta-Hexachlorocyclohexane 319-85-7|beta-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorcyclohexan|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-hexaclorociclohexano|1-alpha,2-beta,3-alpha,4-beta,5-alpha,6-beta-Hexachlorocyclohexane|4-05-00-00061|BETA-1,2,3,4,5,6-HEXACHLORCYCLOHEXAN|beta-1,2,3,4,5,6-Hexachlorocyclohexane|beta-BHC|beta-HCH|beta-Hexachloran|beta-Hexachlorobenzene|beta-Lindane|BRN 1907338|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2b,3a,4b,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, b-|Cyclohexane, beta-1,2,3,4,5,6-hexachloro-|EINECS 206-271-3|trans-alpha-Benzenehexachloride|UNII-YM80ODM9PD|b-1,2,3,4,5,6-Hexachlorocyclohexane|b-Benzene hexachloride|b-Hexachloran|b-Hexachlorobenzene|b-Hexachlorocyclohexane|b-Lindane https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020685
ARPathway2016 ARPathway2016_1138 beta-Hexachlorocyclohexane 319-85-7 DTXSID7020685 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl beta-Hexachlorocyclohexane 319-85-7|beta-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorcyclohexan|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-hexaclorociclohexano|1-alpha,2-beta,3-alpha,4-beta,5-alpha,6-beta-Hexachlorocyclohexane|4-05-00-00061|BETA-1,2,3,4,5,6-HEXACHLORCYCLOHEXAN|beta-1,2,3,4,5,6-Hexachlorocyclohexane|beta-BHC|beta-HCH|beta-Hexachloran|beta-Hexachlorobenzene|beta-Lindane|BRN 1907338|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2b,3a,4b,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, b-|Cyclohexane, beta-1,2,3,4,5,6-hexachloro-|EINECS 206-271-3|trans-alpha-Benzenehexachloride|UNII-YM80ODM9PD|b-1,2,3,4,5,6-Hexachlorocyclohexane|b-Benzene hexachloride|b-Hexachloran|b-Hexachlorobenzene|b-Hexachlorocyclohexane|b-Lindane https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020685
ERPathway2016 ERPathway2016_254 beta-Hexachlorocyclohexane 319-85-7 DTXSID7020685 ER Pathway Model, Antagonist AC50 1.1558816082573 uM Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl beta-Hexachlorocyclohexane 319-85-7|beta-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorcyclohexan|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-hexaclorociclohexano|1-alpha,2-beta,3-alpha,4-beta,5-alpha,6-beta-Hexachlorocyclohexane|4-05-00-00061|BETA-1,2,3,4,5,6-HEXACHLORCYCLOHEXAN|beta-1,2,3,4,5,6-Hexachlorocyclohexane|beta-BHC|beta-HCH|beta-Hexachloran|beta-Hexachlorobenzene|beta-Lindane|BRN 1907338|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2b,3a,4b,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, b-|Cyclohexane, beta-1,2,3,4,5,6-hexachloro-|EINECS 206-271-3|trans-alpha-Benzenehexachloride|UNII-YM80ODM9PD|b-1,2,3,4,5,6-Hexachlorocyclohexane|b-Benzene hexachloride|b-Hexachloran|b-Hexachlorobenzene|b-Hexachlorocyclohexane|b-Lindane https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020685
ERPathway2016 ERPathway2016_254 beta-Hexachlorocyclohexane 319-85-7 DTXSID7020685 ER Pathway Model, Antagonist ACC 0.909385118440495 uM Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl beta-Hexachlorocyclohexane 319-85-7|beta-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorcyclohexan|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-hexaclorociclohexano|1-alpha,2-beta,3-alpha,4-beta,5-alpha,6-beta-Hexachlorocyclohexane|4-05-00-00061|BETA-1,2,3,4,5,6-HEXACHLORCYCLOHEXAN|beta-1,2,3,4,5,6-Hexachlorocyclohexane|beta-BHC|beta-HCH|beta-Hexachloran|beta-Hexachlorobenzene|beta-Lindane|BRN 1907338|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2b,3a,4b,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, b-|Cyclohexane, beta-1,2,3,4,5,6-hexachloro-|EINECS 206-271-3|trans-alpha-Benzenehexachloride|UNII-YM80ODM9PD|b-1,2,3,4,5,6-Hexachlorocyclohexane|b-Benzene hexachloride|b-Hexachloran|b-Hexachlorobenzene|b-Hexachlorocyclohexane|b-Lindane https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020685
ERPathway2016 ERPathway2016_254 beta-Hexachlorocyclohexane 319-85-7 DTXSID7020685 ER Pathway Model, Agonist Model Score 0.082 Unitless Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl beta-Hexachlorocyclohexane 319-85-7|beta-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorcyclohexan|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-hexaclorociclohexano|1-alpha,2-beta,3-alpha,4-beta,5-alpha,6-beta-Hexachlorocyclohexane|4-05-00-00061|BETA-1,2,3,4,5,6-HEXACHLORCYCLOHEXAN|beta-1,2,3,4,5,6-Hexachlorocyclohexane|beta-BHC|beta-HCH|beta-Hexachloran|beta-Hexachlorobenzene|beta-Lindane|BRN 1907338|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2b,3a,4b,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, b-|Cyclohexane, beta-1,2,3,4,5,6-hexachloro-|EINECS 206-271-3|trans-alpha-Benzenehexachloride|UNII-YM80ODM9PD|b-1,2,3,4,5,6-Hexachlorocyclohexane|b-Benzene hexachloride|b-Hexachloran|b-Hexachlorobenzene|b-Hexachlorocyclohexane|b-Lindane https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020685
ERPathway2016 ERPathway2016_254 beta-Hexachlorocyclohexane 319-85-7 DTXSID7020685 ER Pathway Model, Antagonist Model Score 0 Unitless Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl beta-Hexachlorocyclohexane 319-85-7|beta-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorcyclohexan|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-hexaclorociclohexano|1-alpha,2-beta,3-alpha,4-beta,5-alpha,6-beta-Hexachlorocyclohexane|4-05-00-00061|BETA-1,2,3,4,5,6-HEXACHLORCYCLOHEXAN|beta-1,2,3,4,5,6-Hexachlorocyclohexane|beta-BHC|beta-HCH|beta-Hexachloran|beta-Hexachlorobenzene|beta-Lindane|BRN 1907338|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2b,3a,4b,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, b-|Cyclohexane, beta-1,2,3,4,5,6-hexachloro-|EINECS 206-271-3|trans-alpha-Benzenehexachloride|UNII-YM80ODM9PD|b-1,2,3,4,5,6-Hexachlorocyclohexane|b-Benzene hexachloride|b-Hexachloran|b-Hexachlorobenzene|b-Hexachlorocyclohexane|b-Lindane https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020685
ERPathway2016 ERPathway2016_254 beta-Hexachlorocyclohexane 319-85-7 DTXSID7020685 ER Pathway Model, Agonist Call Inactive Unitless Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl beta-Hexachlorocyclohexane 319-85-7|beta-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorcyclohexan|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-hexaclorociclohexano|1-alpha,2-beta,3-alpha,4-beta,5-alpha,6-beta-Hexachlorocyclohexane|4-05-00-00061|BETA-1,2,3,4,5,6-HEXACHLORCYCLOHEXAN|beta-1,2,3,4,5,6-Hexachlorocyclohexane|beta-BHC|beta-HCH|beta-Hexachloran|beta-Hexachlorobenzene|beta-Lindane|BRN 1907338|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2b,3a,4b,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, b-|Cyclohexane, beta-1,2,3,4,5,6-hexachloro-|EINECS 206-271-3|trans-alpha-Benzenehexachloride|UNII-YM80ODM9PD|b-1,2,3,4,5,6-Hexachlorocyclohexane|b-Benzene hexachloride|b-Hexachloran|b-Hexachlorobenzene|b-Hexachlorocyclohexane|b-Lindane https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020685
ERPathway2016 ERPathway2016_254 beta-Hexachlorocyclohexane 319-85-7 DTXSID7020685 ER Pathway Model, Antagonist Call Active Unitless Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl beta-Hexachlorocyclohexane 319-85-7|beta-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorcyclohexan|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|(1a,2b,3a,4b,5a,6b)-1,2,3,4,5,6-hexaclorociclohexano|1-alpha,2-beta,3-alpha,4-beta,5-alpha,6-beta-Hexachlorocyclohexane|4-05-00-00061|BETA-1,2,3,4,5,6-HEXACHLORCYCLOHEXAN|beta-1,2,3,4,5,6-Hexachlorocyclohexane|beta-BHC|beta-HCH|beta-Hexachloran|beta-Hexachlorobenzene|beta-Lindane|BRN 1907338|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2b,3a,4b,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, b-|Cyclohexane, beta-1,2,3,4,5,6-hexachloro-|EINECS 206-271-3|trans-alpha-Benzenehexachloride|UNII-YM80ODM9PD|b-1,2,3,4,5,6-Hexachlorocyclohexane|b-Benzene hexachloride|b-Hexachloran|b-Hexachlorobenzene|b-Hexachlorocyclohexane|b-Lindane https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020685
ARPathway2016 ARPathway2016_309 Bicalutamide 90357-06-5 DTXSID2022678 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist AC50 3.26824797482968 uM CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F Bicalutamide 90357-06-5|Bicalutamide|(+/-)-4'-Cyano-a,a,a-trifluoro-3-[(p-fluorophenyl)sulfonyl]-2-methyl-m-lactotoluidide|A0Z3NAU9DP|bicalutamide|Bicalutamide (Casodex)|Bicalutamide (CDX)|BRN 5364666|Casode|Casodex|Cosudex|EC No.: 618-534-3|ICI 176334|N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide|Propanamide, N- [4- cyano- 3- (trifluoromethyl) phenyl] - 3- [(4- fluorophenyl) sulfonyl] - 2- hydroxy- 2- methyl-|Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-, (+/-)-|ZD 176334|151262-58-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022678
ARPathway2016 ARPathway2016_309 Bicalutamide 90357-06-5 DTXSID2022678 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist ACC 1.52809159970267 uM CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F Bicalutamide 90357-06-5|Bicalutamide|(+/-)-4'-Cyano-a,a,a-trifluoro-3-[(p-fluorophenyl)sulfonyl]-2-methyl-m-lactotoluidide|A0Z3NAU9DP|bicalutamide|Bicalutamide (Casodex)|Bicalutamide (CDX)|BRN 5364666|Casode|Casodex|Cosudex|EC No.: 618-534-3|ICI 176334|N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide|Propanamide, N- [4- cyano- 3- (trifluoromethyl) phenyl] - 3- [(4- fluorophenyl) sulfonyl] - 2- hydroxy- 2- methyl-|Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-, (+/-)-|ZD 176334|151262-58-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022678
ARPathway2016 ARPathway2016_309 Bicalutamide 90357-06-5 DTXSID2022678 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Antagonist Model Score 0.732 Unitless CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F Bicalutamide 90357-06-5|Bicalutamide|(+/-)-4'-Cyano-a,a,a-trifluoro-3-[(p-fluorophenyl)sulfonyl]-2-methyl-m-lactotoluidide|A0Z3NAU9DP|bicalutamide|Bicalutamide (Casodex)|Bicalutamide (CDX)|BRN 5364666|Casode|Casodex|Cosudex|EC No.: 618-534-3|ICI 176334|N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide|Propanamide, N- [4- cyano- 3- (trifluoromethyl) phenyl] - 3- [(4- fluorophenyl) sulfonyl] - 2- hydroxy- 2- methyl-|Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-, (+/-)-|ZD 176334|151262-58-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022678
ARPathway2016 ARPathway2016_309 Bicalutamide 90357-06-5 DTXSID2022678 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist Model Score 0.00158 Unitless CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F Bicalutamide 90357-06-5|Bicalutamide|(+/-)-4'-Cyano-a,a,a-trifluoro-3-[(p-fluorophenyl)sulfonyl]-2-methyl-m-lactotoluidide|A0Z3NAU9DP|bicalutamide|Bicalutamide (Casodex)|Bicalutamide (CDX)|BRN 5364666|Casode|Casodex|Cosudex|EC No.: 618-534-3|ICI 176334|N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide|Propanamide, N- [4- cyano- 3- (trifluoromethyl) phenyl] - 3- [(4- fluorophenyl) sulfonyl] - 2- hydroxy- 2- methyl-|Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-, (+/-)-|ZD 176334|151262-58-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022678
ARPathway2016 ARPathway2016_309 Bicalutamide 90357-06-5 DTXSID2022678 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F Bicalutamide 90357-06-5|Bicalutamide|(+/-)-4'-Cyano-a,a,a-trifluoro-3-[(p-fluorophenyl)sulfonyl]-2-methyl-m-lactotoluidide|A0Z3NAU9DP|bicalutamide|Bicalutamide (Casodex)|Bicalutamide (CDX)|BRN 5364666|Casode|Casodex|Cosudex|EC No.: 618-534-3|ICI 176334|N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide|Propanamide, N- [4- cyano- 3- (trifluoromethyl) phenyl] - 3- [(4- fluorophenyl) sulfonyl] - 2- hydroxy- 2- methyl-|Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-, (+/-)-|ZD 176334|151262-58-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022678
ARPathway2016 ARPathway2016_309 Bicalutamide 90357-06-5 DTXSID2022678 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F Bicalutamide 90357-06-5|Bicalutamide|(+/-)-4'-Cyano-a,a,a-trifluoro-3-[(p-fluorophenyl)sulfonyl]-2-methyl-m-lactotoluidide|A0Z3NAU9DP|bicalutamide|Bicalutamide (Casodex)|Bicalutamide (CDX)|BRN 5364666|Casode|Casodex|Cosudex|EC No.: 618-534-3|ICI 176334|N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide|Propanamide, N- [4- cyano- 3- (trifluoromethyl) phenyl] - 3- [(4- fluorophenyl) sulfonyl] - 2- hydroxy- 2- methyl-|Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-, (+/-)-|ZD 176334|151262-58-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022678
ERPathway2016 ERPathway2016_43 Bicalutamide 90357-06-5 DTXSID2022678 Antagonist ER Pathway Model, Agonist AC50 9.73955782745928 uM CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F Bicalutamide 90357-06-5|Bicalutamide|(+/-)-4'-Cyano-a,a,a-trifluoro-3-[(p-fluorophenyl)sulfonyl]-2-methyl-m-lactotoluidide|A0Z3NAU9DP|bicalutamide|Bicalutamide (Casodex)|Bicalutamide (CDX)|BRN 5364666|Casode|Casodex|Cosudex|EC No.: 618-534-3|ICI 176334|N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide|Propanamide, N- [4- cyano- 3- (trifluoromethyl) phenyl] - 3- [(4- fluorophenyl) sulfonyl] - 2- hydroxy- 2- methyl-|Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-, (+/-)-|ZD 176334|151262-58-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022678
ERPathway2016 ERPathway2016_43 Bicalutamide 90357-06-5 DTXSID2022678 Antagonist ER Pathway Model, Agonist ACC 8.30209072173212 uM CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F Bicalutamide 90357-06-5|Bicalutamide|(+/-)-4'-Cyano-a,a,a-trifluoro-3-[(p-fluorophenyl)sulfonyl]-2-methyl-m-lactotoluidide|A0Z3NAU9DP|bicalutamide|Bicalutamide (Casodex)|Bicalutamide (CDX)|BRN 5364666|Casode|Casodex|Cosudex|EC No.: 618-534-3|ICI 176334|N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide|Propanamide, N- [4- cyano- 3- (trifluoromethyl) phenyl] - 3- [(4- fluorophenyl) sulfonyl] - 2- hydroxy- 2- methyl-|Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-, (+/-)-|ZD 176334|151262-58-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022678
ERPathway2016 ERPathway2016_43 Bicalutamide 90357-06-5 DTXSID2022678 Antagonist ER Pathway Model, Agonist Model Score 0.00307 Unitless CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F Bicalutamide 90357-06-5|Bicalutamide|(+/-)-4'-Cyano-a,a,a-trifluoro-3-[(p-fluorophenyl)sulfonyl]-2-methyl-m-lactotoluidide|A0Z3NAU9DP|bicalutamide|Bicalutamide (Casodex)|Bicalutamide (CDX)|BRN 5364666|Casode|Casodex|Cosudex|EC No.: 618-534-3|ICI 176334|N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide|Propanamide, N- [4- cyano- 3- (trifluoromethyl) phenyl] - 3- [(4- fluorophenyl) sulfonyl] - 2- hydroxy- 2- methyl-|Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-, (+/-)-|ZD 176334|151262-58-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022678
ERPathway2016 ERPathway2016_43 Bicalutamide 90357-06-5 DTXSID2022678 Antagonist ER Pathway Model, Antagonist Model Score 0.107 Unitless CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F Bicalutamide 90357-06-5|Bicalutamide|(+/-)-4'-Cyano-a,a,a-trifluoro-3-[(p-fluorophenyl)sulfonyl]-2-methyl-m-lactotoluidide|A0Z3NAU9DP|bicalutamide|Bicalutamide (Casodex)|Bicalutamide (CDX)|BRN 5364666|Casode|Casodex|Cosudex|EC No.: 618-534-3|ICI 176334|N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide|Propanamide, N- [4- cyano- 3- (trifluoromethyl) phenyl] - 3- [(4- fluorophenyl) sulfonyl] - 2- hydroxy- 2- methyl-|Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-, (+/-)-|ZD 176334|151262-58-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022678
ERPathway2016 ERPathway2016_43 Bicalutamide 90357-06-5 DTXSID2022678 Antagonist ER Pathway Model, Agonist Call Active Unitless CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F Bicalutamide 90357-06-5|Bicalutamide|(+/-)-4'-Cyano-a,a,a-trifluoro-3-[(p-fluorophenyl)sulfonyl]-2-methyl-m-lactotoluidide|A0Z3NAU9DP|bicalutamide|Bicalutamide (Casodex)|Bicalutamide (CDX)|BRN 5364666|Casode|Casodex|Cosudex|EC No.: 618-534-3|ICI 176334|N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide|Propanamide, N- [4- cyano- 3- (trifluoromethyl) phenyl] - 3- [(4- fluorophenyl) sulfonyl] - 2- hydroxy- 2- methyl-|Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-, (+/-)-|ZD 176334|151262-58-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022678
ERPathway2016 ERPathway2016_43 Bicalutamide 90357-06-5 DTXSID2022678 Antagonist ER Pathway Model, Antagonist Call Inactive Unitless CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F Bicalutamide 90357-06-5|Bicalutamide|(+/-)-4'-Cyano-a,a,a-trifluoro-3-[(p-fluorophenyl)sulfonyl]-2-methyl-m-lactotoluidide|A0Z3NAU9DP|bicalutamide|Bicalutamide (Casodex)|Bicalutamide (CDX)|BRN 5364666|Casode|Casodex|Cosudex|EC No.: 618-534-3|ICI 176334|N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide|Propanamide, N- [4- cyano- 3- (trifluoromethyl) phenyl] - 3- [(4- fluorophenyl) sulfonyl] - 2- hydroxy- 2- methyl-|Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-, (+/-)-|ZD 176334|151262-58-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022678
ARPathway2016 ARPathway2016_877 Bifenazate 149877-41-8 DTXSID5032525 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=C(NNC(=O)OC(C)C)C=C(C=C1)C1=CC=CC=C1 Bifenazate 149877-41-8|Bifenazate|1-Methylethyl 2-(4-methoxy[1,1'-biphenyl]-3-yl)-hydrazinecarboxylate|2-(4-methoxy(1,1'-biphenyl)-3-yl)hydrazinecarboxylic acid 1-methylethyl ester|442-820-5|604-709-1|D 2341|EC No.: 604-709-1|EC No.: 442-820-5|EEC No.: 442-820-5|ELINCS No.: 442-820-5|EPA Pesticide Chemical Code 000586|Floramite|Hydrazinecarboxylic acid, 2-(4-methoxy{1,1'-biphenyl}-3-yl)-, 1-methylethyl ester|isopropyl 2-(4-methoxybiphenyl-3-yl)hydrazinecarboxylate|Isopropyl 3-(4-methoxy-3-biphenylyl)carbazate|Lianbenjingzhi|PC 000586|PC Code 000586|UNII-24Z9QW0505|1175647-34-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032525
ARPathway2016 ARPathway2016_877 Bifenazate 149877-41-8 DTXSID5032525 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless COC1=C(NNC(=O)OC(C)C)C=C(C=C1)C1=CC=CC=C1 Bifenazate 149877-41-8|Bifenazate|1-Methylethyl 2-(4-methoxy[1,1'-biphenyl]-3-yl)-hydrazinecarboxylate|2-(4-methoxy(1,1'-biphenyl)-3-yl)hydrazinecarboxylic acid 1-methylethyl ester|442-820-5|604-709-1|D 2341|EC No.: 604-709-1|EC No.: 442-820-5|EEC No.: 442-820-5|ELINCS No.: 442-820-5|EPA Pesticide Chemical Code 000586|Floramite|Hydrazinecarboxylic acid, 2-(4-methoxy{1,1'-biphenyl}-3-yl)-, 1-methylethyl ester|isopropyl 2-(4-methoxybiphenyl-3-yl)hydrazinecarboxylate|Isopropyl 3-(4-methoxy-3-biphenylyl)carbazate|Lianbenjingzhi|PC 000586|PC Code 000586|UNII-24Z9QW0505|1175647-34-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032525
ARPathway2016 ARPathway2016_877 Bifenazate 149877-41-8 DTXSID5032525 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist Call Inactive Unitless COC1=C(NNC(=O)OC(C)C)C=C(C=C1)C1=CC=CC=C1 Bifenazate 149877-41-8|Bifenazate|1-Methylethyl 2-(4-methoxy[1,1'-biphenyl]-3-yl)-hydrazinecarboxylate|2-(4-methoxy(1,1'-biphenyl)-3-yl)hydrazinecarboxylic acid 1-methylethyl ester|442-820-5|604-709-1|D 2341|EC No.: 604-709-1|EC No.: 442-820-5|EEC No.: 442-820-5|ELINCS No.: 442-820-5|EPA Pesticide Chemical Code 000586|Floramite|Hydrazinecarboxylic acid, 2-(4-methoxy{1,1'-biphenyl}-3-yl)-, 1-methylethyl ester|isopropyl 2-(4-methoxybiphenyl-3-yl)hydrazinecarboxylate|Isopropyl 3-(4-methoxy-3-biphenylyl)carbazate|Lianbenjingzhi|PC 000586|PC Code 000586|UNII-24Z9QW0505|1175647-34-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032525
ARPathway2016 ARPathway2016_877 Bifenazate 149877-41-8 DTXSID5032525 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless COC1=C(NNC(=O)OC(C)C)C=C(C=C1)C1=CC=CC=C1 Bifenazate 149877-41-8|Bifenazate|1-Methylethyl 2-(4-methoxy[1,1'-biphenyl]-3-yl)-hydrazinecarboxylate|2-(4-methoxy(1,1'-biphenyl)-3-yl)hydrazinecarboxylic acid 1-methylethyl ester|442-820-5|604-709-1|D 2341|EC No.: 604-709-1|EC No.: 442-820-5|EEC No.: 442-820-5|ELINCS No.: 442-820-5|EPA Pesticide Chemical Code 000586|Floramite|Hydrazinecarboxylic acid, 2-(4-methoxy{1,1'-biphenyl}-3-yl)-, 1-methylethyl ester|isopropyl 2-(4-methoxybiphenyl-3-yl)hydrazinecarboxylate|Isopropyl 3-(4-methoxy-3-biphenylyl)carbazate|Lianbenjingzhi|PC 000586|PC Code 000586|UNII-24Z9QW0505|1175647-34-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032525
ERPathway2016 ERPathway2016_594 Bifenazate 149877-41-8 DTXSID5032525 ER Pathway Model, Agonist Model Score 0 Unitless COC1=C(NNC(=O)OC(C)C)C=C(C=C1)C1=CC=CC=C1 Bifenazate 149877-41-8|Bifenazate|1-Methylethyl 2-(4-methoxy[1,1'-biphenyl]-3-yl)-hydrazinecarboxylate|2-(4-methoxy(1,1'-biphenyl)-3-yl)hydrazinecarboxylic acid 1-methylethyl ester|442-820-5|604-709-1|D 2341|EC No.: 604-709-1|EC No.: 442-820-5|EEC No.: 442-820-5|ELINCS No.: 442-820-5|EPA Pesticide Chemical Code 000586|Floramite|Hydrazinecarboxylic acid, 2-(4-methoxy{1,1'-biphenyl}-3-yl)-, 1-methylethyl ester|isopropyl 2-(4-methoxybiphenyl-3-yl)hydrazinecarboxylate|Isopropyl 3-(4-methoxy-3-biphenylyl)carbazate|Lianbenjingzhi|PC 000586|PC Code 000586|UNII-24Z9QW0505|1175647-34-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032525
ERPathway2016 ERPathway2016_594 Bifenazate 149877-41-8 DTXSID5032525 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=C(NNC(=O)OC(C)C)C=C(C=C1)C1=CC=CC=C1 Bifenazate 149877-41-8|Bifenazate|1-Methylethyl 2-(4-methoxy[1,1'-biphenyl]-3-yl)-hydrazinecarboxylate|2-(4-methoxy(1,1'-biphenyl)-3-yl)hydrazinecarboxylic acid 1-methylethyl ester|442-820-5|604-709-1|D 2341|EC No.: 604-709-1|EC No.: 442-820-5|EEC No.: 442-820-5|ELINCS No.: 442-820-5|EPA Pesticide Chemical Code 000586|Floramite|Hydrazinecarboxylic acid, 2-(4-methoxy{1,1'-biphenyl}-3-yl)-, 1-methylethyl ester|isopropyl 2-(4-methoxybiphenyl-3-yl)hydrazinecarboxylate|Isopropyl 3-(4-methoxy-3-biphenylyl)carbazate|Lianbenjingzhi|PC 000586|PC Code 000586|UNII-24Z9QW0505|1175647-34-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032525
ERPathway2016 ERPathway2016_594 Bifenazate 149877-41-8 DTXSID5032525 ER Pathway Model, Agonist Call Inactive Unitless COC1=C(NNC(=O)OC(C)C)C=C(C=C1)C1=CC=CC=C1 Bifenazate 149877-41-8|Bifenazate|1-Methylethyl 2-(4-methoxy[1,1'-biphenyl]-3-yl)-hydrazinecarboxylate|2-(4-methoxy(1,1'-biphenyl)-3-yl)hydrazinecarboxylic acid 1-methylethyl ester|442-820-5|604-709-1|D 2341|EC No.: 604-709-1|EC No.: 442-820-5|EEC No.: 442-820-5|ELINCS No.: 442-820-5|EPA Pesticide Chemical Code 000586|Floramite|Hydrazinecarboxylic acid, 2-(4-methoxy{1,1'-biphenyl}-3-yl)-, 1-methylethyl ester|isopropyl 2-(4-methoxybiphenyl-3-yl)hydrazinecarboxylate|Isopropyl 3-(4-methoxy-3-biphenylyl)carbazate|Lianbenjingzhi|PC 000586|PC Code 000586|UNII-24Z9QW0505|1175647-34-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032525
ERPathway2016 ERPathway2016_594 Bifenazate 149877-41-8 DTXSID5032525 ER Pathway Model, Antagonist Call Inactive Unitless COC1=C(NNC(=O)OC(C)C)C=C(C=C1)C1=CC=CC=C1 Bifenazate 149877-41-8|Bifenazate|1-Methylethyl 2-(4-methoxy[1,1'-biphenyl]-3-yl)-hydrazinecarboxylate|2-(4-methoxy(1,1'-biphenyl)-3-yl)hydrazinecarboxylic acid 1-methylethyl ester|442-820-5|604-709-1|D 2341|EC No.: 604-709-1|EC No.: 442-820-5|EEC No.: 442-820-5|ELINCS No.: 442-820-5|EPA Pesticide Chemical Code 000586|Floramite|Hydrazinecarboxylic acid, 2-(4-methoxy{1,1'-biphenyl}-3-yl)-, 1-methylethyl ester|isopropyl 2-(4-methoxybiphenyl-3-yl)hydrazinecarboxylate|Isopropyl 3-(4-methoxy-3-biphenylyl)carbazate|Lianbenjingzhi|PC 000586|PC Code 000586|UNII-24Z9QW0505|1175647-34-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032525
ARPathway2016 ARPathway2016_293 Bifenthrin 82657-04-3 DTXSID9020160 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist AC50 45.6317710597017 uM CC1=C(C=CC=C1COC(=O)[C@@H]1[C@H](C=C(/Cl)C(F)(F)F)C1(C)C)C1=CC=CC=C1 Bifenthrin 82657-04-3|Bifenthrin|(+/-)-Bifenthrin|(1alpha,3alpha(Z))-(+/-)-(2-Methyl(1,1'-biphenyl)-3-yl)methyl 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate|(1alpha,3alpha(Z))-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl(1,1'-biphenyl)-3-yl)methyl ester|[1a,3a(Z)]-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl[1,1'-biphenyl]-3-yl)methyl ester|2-Methylbiphenyl-3-ylmethyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl (Z)-(1RS,3RS)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl-(Z)-(1RS)-cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|617-373-6|AGST 02002|BIFENTHRIN|Bifenthrine|Biflex FT|Biphenate|Biphenthrin|Biphentrin|Brigade|Brigade 10WP|Brigata Flo|Capture|Capture (pesticide)|Capture LFR|Caswell No. 463F|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-tr|107497-60-9|107538-32-9|92880-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020160
ARPathway2016 ARPathway2016_293 Bifenthrin 82657-04-3 DTXSID9020160 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist ACC 55.2762470590677 uM CC1=C(C=CC=C1COC(=O)[C@@H]1[C@H](C=C(/Cl)C(F)(F)F)C1(C)C)C1=CC=CC=C1 Bifenthrin 82657-04-3|Bifenthrin|(+/-)-Bifenthrin|(1alpha,3alpha(Z))-(+/-)-(2-Methyl(1,1'-biphenyl)-3-yl)methyl 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate|(1alpha,3alpha(Z))-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl(1,1'-biphenyl)-3-yl)methyl ester|[1a,3a(Z)]-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl[1,1'-biphenyl]-3-yl)methyl ester|2-Methylbiphenyl-3-ylmethyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl (Z)-(1RS,3RS)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl-(Z)-(1RS)-cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|617-373-6|AGST 02002|BIFENTHRIN|Bifenthrine|Biflex FT|Biphenate|Biphenthrin|Biphentrin|Brigade|Brigade 10WP|Brigata Flo|Capture|Capture (pesticide)|Capture LFR|Caswell No. 463F|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-tr|107497-60-9|107538-32-9|92880-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020160
ARPathway2016 ARPathway2016_293 Bifenthrin 82657-04-3 DTXSID9020160 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0.0199 Unitless CC1=C(C=CC=C1COC(=O)[C@@H]1[C@H](C=C(/Cl)C(F)(F)F)C1(C)C)C1=CC=CC=C1 Bifenthrin 82657-04-3|Bifenthrin|(+/-)-Bifenthrin|(1alpha,3alpha(Z))-(+/-)-(2-Methyl(1,1'-biphenyl)-3-yl)methyl 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate|(1alpha,3alpha(Z))-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl(1,1'-biphenyl)-3-yl)methyl ester|[1a,3a(Z)]-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl[1,1'-biphenyl]-3-yl)methyl ester|2-Methylbiphenyl-3-ylmethyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl (Z)-(1RS,3RS)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl-(Z)-(1RS)-cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|617-373-6|AGST 02002|BIFENTHRIN|Bifenthrine|Biflex FT|Biphenate|Biphenthrin|Biphentrin|Brigade|Brigade 10WP|Brigata Flo|Capture|Capture (pesticide)|Capture LFR|Caswell No. 463F|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-tr|107497-60-9|107538-32-9|92880-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020160
ARPathway2016 ARPathway2016_293 Bifenthrin 82657-04-3 DTXSID9020160 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(C=CC=C1COC(=O)[C@@H]1[C@H](C=C(/Cl)C(F)(F)F)C1(C)C)C1=CC=CC=C1 Bifenthrin 82657-04-3|Bifenthrin|(+/-)-Bifenthrin|(1alpha,3alpha(Z))-(+/-)-(2-Methyl(1,1'-biphenyl)-3-yl)methyl 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate|(1alpha,3alpha(Z))-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl(1,1'-biphenyl)-3-yl)methyl ester|[1a,3a(Z)]-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl[1,1'-biphenyl]-3-yl)methyl ester|2-Methylbiphenyl-3-ylmethyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl (Z)-(1RS,3RS)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl-(Z)-(1RS)-cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|617-373-6|AGST 02002|BIFENTHRIN|Bifenthrine|Biflex FT|Biphenate|Biphenthrin|Biphentrin|Brigade|Brigade 10WP|Brigata Flo|Capture|Capture (pesticide)|Capture LFR|Caswell No. 463F|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-tr|107497-60-9|107538-32-9|92880-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020160
ARPathway2016 ARPathway2016_293 Bifenthrin 82657-04-3 DTXSID9020160 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Active Unitless CC1=C(C=CC=C1COC(=O)[C@@H]1[C@H](C=C(/Cl)C(F)(F)F)C1(C)C)C1=CC=CC=C1 Bifenthrin 82657-04-3|Bifenthrin|(+/-)-Bifenthrin|(1alpha,3alpha(Z))-(+/-)-(2-Methyl(1,1'-biphenyl)-3-yl)methyl 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate|(1alpha,3alpha(Z))-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl(1,1'-biphenyl)-3-yl)methyl ester|[1a,3a(Z)]-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl[1,1'-biphenyl]-3-yl)methyl ester|2-Methylbiphenyl-3-ylmethyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl (Z)-(1RS,3RS)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl-(Z)-(1RS)-cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|617-373-6|AGST 02002|BIFENTHRIN|Bifenthrine|Biflex FT|Biphenate|Biphenthrin|Biphentrin|Brigade|Brigade 10WP|Brigata Flo|Capture|Capture (pesticide)|Capture LFR|Caswell No. 463F|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-tr|107497-60-9|107538-32-9|92880-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020160
ARPathway2016 ARPathway2016_293 Bifenthrin 82657-04-3 DTXSID9020160 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(C=CC=C1COC(=O)[C@@H]1[C@H](C=C(/Cl)C(F)(F)F)C1(C)C)C1=CC=CC=C1 Bifenthrin 82657-04-3|Bifenthrin|(+/-)-Bifenthrin|(1alpha,3alpha(Z))-(+/-)-(2-Methyl(1,1'-biphenyl)-3-yl)methyl 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate|(1alpha,3alpha(Z))-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl(1,1'-biphenyl)-3-yl)methyl ester|[1a,3a(Z)]-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl[1,1'-biphenyl]-3-yl)methyl ester|2-Methylbiphenyl-3-ylmethyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl (Z)-(1RS,3RS)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl-(Z)-(1RS)-cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|617-373-6|AGST 02002|BIFENTHRIN|Bifenthrine|Biflex FT|Biphenate|Biphenthrin|Biphentrin|Brigade|Brigade 10WP|Brigata Flo|Capture|Capture (pesticide)|Capture LFR|Caswell No. 463F|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-tr|107497-60-9|107538-32-9|92880-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020160
ERPathway2016 ERPathway2016_526 Bifenthrin 82657-04-3 DTXSID9020160 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(C=CC=C1COC(=O)[C@@H]1[C@H](C=C(/Cl)C(F)(F)F)C1(C)C)C1=CC=CC=C1 Bifenthrin 82657-04-3|Bifenthrin|(+/-)-Bifenthrin|(1alpha,3alpha(Z))-(+/-)-(2-Methyl(1,1'-biphenyl)-3-yl)methyl 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate|(1alpha,3alpha(Z))-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl(1,1'-biphenyl)-3-yl)methyl ester|[1a,3a(Z)]-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl[1,1'-biphenyl]-3-yl)methyl ester|2-Methylbiphenyl-3-ylmethyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl (Z)-(1RS,3RS)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl-(Z)-(1RS)-cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|617-373-6|AGST 02002|BIFENTHRIN|Bifenthrine|Biflex FT|Biphenate|Biphenthrin|Biphentrin|Brigade|Brigade 10WP|Brigata Flo|Capture|Capture (pesticide)|Capture LFR|Caswell No. 463F|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-tr|107497-60-9|107538-32-9|92880-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020160
ERPathway2016 ERPathway2016_526 Bifenthrin 82657-04-3 DTXSID9020160 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(C=CC=C1COC(=O)[C@@H]1[C@H](C=C(/Cl)C(F)(F)F)C1(C)C)C1=CC=CC=C1 Bifenthrin 82657-04-3|Bifenthrin|(+/-)-Bifenthrin|(1alpha,3alpha(Z))-(+/-)-(2-Methyl(1,1'-biphenyl)-3-yl)methyl 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate|(1alpha,3alpha(Z))-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl(1,1'-biphenyl)-3-yl)methyl ester|[1a,3a(Z)]-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl[1,1'-biphenyl]-3-yl)methyl ester|2-Methylbiphenyl-3-ylmethyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl (Z)-(1RS,3RS)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl-(Z)-(1RS)-cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|617-373-6|AGST 02002|BIFENTHRIN|Bifenthrine|Biflex FT|Biphenate|Biphenthrin|Biphentrin|Brigade|Brigade 10WP|Brigata Flo|Capture|Capture (pesticide)|Capture LFR|Caswell No. 463F|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-tr|107497-60-9|107538-32-9|92880-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020160
ERPathway2016 ERPathway2016_526 Bifenthrin 82657-04-3 DTXSID9020160 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(C=CC=C1COC(=O)[C@@H]1[C@H](C=C(/Cl)C(F)(F)F)C1(C)C)C1=CC=CC=C1 Bifenthrin 82657-04-3|Bifenthrin|(+/-)-Bifenthrin|(1alpha,3alpha(Z))-(+/-)-(2-Methyl(1,1'-biphenyl)-3-yl)methyl 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate|(1alpha,3alpha(Z))-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl(1,1'-biphenyl)-3-yl)methyl ester|[1a,3a(Z)]-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl[1,1'-biphenyl]-3-yl)methyl ester|2-Methylbiphenyl-3-ylmethyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl (Z)-(1RS,3RS)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl-(Z)-(1RS)-cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|617-373-6|AGST 02002|BIFENTHRIN|Bifenthrine|Biflex FT|Biphenate|Biphenthrin|Biphentrin|Brigade|Brigade 10WP|Brigata Flo|Capture|Capture (pesticide)|Capture LFR|Caswell No. 463F|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-tr|107497-60-9|107538-32-9|92880-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020160
ERPathway2016 ERPathway2016_526 Bifenthrin 82657-04-3 DTXSID9020160 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(C=CC=C1COC(=O)[C@@H]1[C@H](C=C(/Cl)C(F)(F)F)C1(C)C)C1=CC=CC=C1 Bifenthrin 82657-04-3|Bifenthrin|(+/-)-Bifenthrin|(1alpha,3alpha(Z))-(+/-)-(2-Methyl(1,1'-biphenyl)-3-yl)methyl 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate|(1alpha,3alpha(Z))-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl(1,1'-biphenyl)-3-yl)methyl ester|[1a,3a(Z)]-(+/-)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2-methyl[1,1'-biphenyl]-3-yl)methyl ester|2-Methylbiphenyl-3-ylmethyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl (Z)-(1RS,3RS)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|2-Methylbiphenyl-3-ylmethyl-(Z)-(1RS)-cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate|617-373-6|AGST 02002|BIFENTHRIN|Bifenthrine|Biflex FT|Biphenate|Biphenthrin|Biphentrin|Brigade|Brigade 10WP|Brigata Flo|Capture|Capture (pesticide)|Capture LFR|Caswell No. 463F|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-tr|107497-60-9|107538-32-9|92880-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020160
ARPathway2016 ARPathway2016_1236 Biochanin A 491-80-5 DTXSID1022394 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Biochanin A 491-80-5|Biochanin A|(-)-5,7-Dihydroxy-4'-methoxyisoflavone|4'-Methylgenistein|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-|5,7-dihidroxi-3-p-metoxifenil-4H-cromen-4-ona|5,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-on|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one|5,7-dihydroxy-3-p-methoxyphenyl-4H-chromene-4-one|5,7-Dihydroxy-4'-methoxy-Isoflavone|5,7-Dihydroxy-4'-methoxy-Isoflavone (8CI)|5,7-Dihydroxy-4'-methoxyisoflavone|Biochanin|Biochanine a|EINECS 207-744-7|Genistein 4-methyl ether|Genistein 4'-methyl ether|Isoflavone, 5,7-dihydroxy-4'-methoxy-|NSC 123538|Olmelin|pratensol|UNII-U13J6U390T https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022394
ARPathway2016 ARPathway2016_1236 Biochanin A 491-80-5 DTXSID1022394 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Biochanin A 491-80-5|Biochanin A|(-)-5,7-Dihydroxy-4'-methoxyisoflavone|4'-Methylgenistein|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-|5,7-dihidroxi-3-p-metoxifenil-4H-cromen-4-ona|5,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-on|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one|5,7-dihydroxy-3-p-methoxyphenyl-4H-chromene-4-one|5,7-Dihydroxy-4'-methoxy-Isoflavone|5,7-Dihydroxy-4'-methoxy-Isoflavone (8CI)|5,7-Dihydroxy-4'-methoxyisoflavone|Biochanin|Biochanine a|EINECS 207-744-7|Genistein 4-methyl ether|Genistein 4'-methyl ether|Isoflavone, 5,7-dihydroxy-4'-methoxy-|NSC 123538|Olmelin|pratensol|UNII-U13J6U390T https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022394
ARPathway2016 ARPathway2016_1236 Biochanin A 491-80-5 DTXSID1022394 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Biochanin A 491-80-5|Biochanin A|(-)-5,7-Dihydroxy-4'-methoxyisoflavone|4'-Methylgenistein|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-|5,7-dihidroxi-3-p-metoxifenil-4H-cromen-4-ona|5,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-on|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one|5,7-dihydroxy-3-p-methoxyphenyl-4H-chromene-4-one|5,7-Dihydroxy-4'-methoxy-Isoflavone|5,7-Dihydroxy-4'-methoxy-Isoflavone (8CI)|5,7-Dihydroxy-4'-methoxyisoflavone|Biochanin|Biochanine a|EINECS 207-744-7|Genistein 4-methyl ether|Genistein 4'-methyl ether|Isoflavone, 5,7-dihydroxy-4'-methoxy-|NSC 123538|Olmelin|pratensol|UNII-U13J6U390T https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022394
ARPathway2016 ARPathway2016_1236 Biochanin A 491-80-5 DTXSID1022394 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Biochanin A 491-80-5|Biochanin A|(-)-5,7-Dihydroxy-4'-methoxyisoflavone|4'-Methylgenistein|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-|5,7-dihidroxi-3-p-metoxifenil-4H-cromen-4-ona|5,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-on|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one|5,7-dihydroxy-3-p-methoxyphenyl-4H-chromene-4-one|5,7-Dihydroxy-4'-methoxy-Isoflavone|5,7-Dihydroxy-4'-methoxy-Isoflavone (8CI)|5,7-Dihydroxy-4'-methoxyisoflavone|Biochanin|Biochanine a|EINECS 207-744-7|Genistein 4-methyl ether|Genistein 4'-methyl ether|Isoflavone, 5,7-dihydroxy-4'-methoxy-|NSC 123538|Olmelin|pratensol|UNII-U13J6U390T https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022394
ERPathway2016 ERPathway2016_177 Biochanin A 491-80-5 DTXSID1022394 Agonist ER Pathway Model, Antagonist AC50 4.04294328999697 uM COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Biochanin A 491-80-5|Biochanin A|(-)-5,7-Dihydroxy-4'-methoxyisoflavone|4'-Methylgenistein|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-|5,7-dihidroxi-3-p-metoxifenil-4H-cromen-4-ona|5,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-on|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one|5,7-dihydroxy-3-p-methoxyphenyl-4H-chromene-4-one|5,7-Dihydroxy-4'-methoxy-Isoflavone|5,7-Dihydroxy-4'-methoxy-Isoflavone (8CI)|5,7-Dihydroxy-4'-methoxyisoflavone|Biochanin|Biochanine a|EINECS 207-744-7|Genistein 4-methyl ether|Genistein 4'-methyl ether|Isoflavone, 5,7-dihydroxy-4'-methoxy-|NSC 123538|Olmelin|pratensol|UNII-U13J6U390T https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022394
ERPathway2016 ERPathway2016_177 Biochanin A 491-80-5 DTXSID1022394 Agonist ER Pathway Model, Antagonist ACC 1.85317832463126 uM COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Biochanin A 491-80-5|Biochanin A|(-)-5,7-Dihydroxy-4'-methoxyisoflavone|4'-Methylgenistein|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-|5,7-dihidroxi-3-p-metoxifenil-4H-cromen-4-ona|5,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-on|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one|5,7-dihydroxy-3-p-methoxyphenyl-4H-chromene-4-one|5,7-Dihydroxy-4'-methoxy-Isoflavone|5,7-Dihydroxy-4'-methoxy-Isoflavone (8CI)|5,7-Dihydroxy-4'-methoxyisoflavone|Biochanin|Biochanine a|EINECS 207-744-7|Genistein 4-methyl ether|Genistein 4'-methyl ether|Isoflavone, 5,7-dihydroxy-4'-methoxy-|NSC 123538|Olmelin|pratensol|UNII-U13J6U390T https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022394
ERPathway2016 ERPathway2016_177 Biochanin A 491-80-5 DTXSID1022394 Agonist ER Pathway Model, Agonist Model Score 0.356 Unitless COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Biochanin A 491-80-5|Biochanin A|(-)-5,7-Dihydroxy-4'-methoxyisoflavone|4'-Methylgenistein|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-|5,7-dihidroxi-3-p-metoxifenil-4H-cromen-4-ona|5,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-on|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one|5,7-dihydroxy-3-p-methoxyphenyl-4H-chromene-4-one|5,7-Dihydroxy-4'-methoxy-Isoflavone|5,7-Dihydroxy-4'-methoxy-Isoflavone (8CI)|5,7-Dihydroxy-4'-methoxyisoflavone|Biochanin|Biochanine a|EINECS 207-744-7|Genistein 4-methyl ether|Genistein 4'-methyl ether|Isoflavone, 5,7-dihydroxy-4'-methoxy-|NSC 123538|Olmelin|pratensol|UNII-U13J6U390T https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022394
ERPathway2016 ERPathway2016_177 Biochanin A 491-80-5 DTXSID1022394 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Biochanin A 491-80-5|Biochanin A|(-)-5,7-Dihydroxy-4'-methoxyisoflavone|4'-Methylgenistein|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-|5,7-dihidroxi-3-p-metoxifenil-4H-cromen-4-ona|5,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-on|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one|5,7-dihydroxy-3-p-methoxyphenyl-4H-chromene-4-one|5,7-Dihydroxy-4'-methoxy-Isoflavone|5,7-Dihydroxy-4'-methoxy-Isoflavone (8CI)|5,7-Dihydroxy-4'-methoxyisoflavone|Biochanin|Biochanine a|EINECS 207-744-7|Genistein 4-methyl ether|Genistein 4'-methyl ether|Isoflavone, 5,7-dihydroxy-4'-methoxy-|NSC 123538|Olmelin|pratensol|UNII-U13J6U390T https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022394
ERPathway2016 ERPathway2016_177 Biochanin A 491-80-5 DTXSID1022394 Agonist ER Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Biochanin A 491-80-5|Biochanin A|(-)-5,7-Dihydroxy-4'-methoxyisoflavone|4'-Methylgenistein|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-|5,7-dihidroxi-3-p-metoxifenil-4H-cromen-4-ona|5,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-on|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one|5,7-dihydroxy-3-p-methoxyphenyl-4H-chromene-4-one|5,7-Dihydroxy-4'-methoxy-Isoflavone|5,7-Dihydroxy-4'-methoxy-Isoflavone (8CI)|5,7-Dihydroxy-4'-methoxyisoflavone|Biochanin|Biochanine a|EINECS 207-744-7|Genistein 4-methyl ether|Genistein 4'-methyl ether|Isoflavone, 5,7-dihydroxy-4'-methoxy-|NSC 123538|Olmelin|pratensol|UNII-U13J6U390T https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022394
ERPathway2016 ERPathway2016_177 Biochanin A 491-80-5 DTXSID1022394 Agonist ER Pathway Model, Antagonist Call Active Unitless COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Biochanin A 491-80-5|Biochanin A|(-)-5,7-Dihydroxy-4'-methoxyisoflavone|4'-Methylgenistein|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-|5,7-dihidroxi-3-p-metoxifenil-4H-cromen-4-ona|5,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-on|5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one|5,7-dihydroxy-3-p-methoxyphenyl-4H-chromene-4-one|5,7-Dihydroxy-4'-methoxy-Isoflavone|5,7-Dihydroxy-4'-methoxy-Isoflavone (8CI)|5,7-Dihydroxy-4'-methoxyisoflavone|Biochanin|Biochanine a|EINECS 207-744-7|Genistein 4-methyl ether|Genistein 4'-methyl ether|Isoflavone, 5,7-dihydroxy-4'-methoxy-|NSC 123538|Olmelin|pratensol|UNII-U13J6U390T https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022394
ARPathway2016 ARPathway2016_1367 Biotin 58-85-5 DTXSID7022679 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CS[C@@H](CCCCC(O)=O)[C@]1([H])NC(=O)N2 Biotin 58-85-5|Biotin|-(+)-biotin|(+)-Biotin|(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valerate|(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid|(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-valerate|(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid|[3aS-(3aa,4b,6aa)]-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic acid|1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANOIC ACID, HEXAHYDRO-2-OXO-, (3AS-(3A,alpha.,4b,6Aa)|1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-|1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS,4S,6aR)-|1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3aS-(3aa,4b,6aa)]-|1swk|1swn|1swr|2'-Keto-3,4-imidazolido-2-tetrahydrothiophene-N-valeric acid|5-(2-Oxohexahydro-1H-thieno[3,4-D]imidazol-4-yl)pentanoate|5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid|5-(3AS,4S,5AR)-HEXAHYDRO-2-OXO-1H-THINO(3,4)- DIIMIDAZOL-4-YL) (3aS,4S,6aR)-|5-[(1R,5S,6S)-3-oxo-7-thia-2,4-diazabicyclo[3|15720-24-8|22879-79-4|3672-05-7|58073-87-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022679
ARPathway2016 ARPathway2016_1367 Biotin 58-85-5 DTXSID7022679 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12CS[C@@H](CCCCC(O)=O)[C@]1([H])NC(=O)N2 Biotin 58-85-5|Biotin|-(+)-biotin|(+)-Biotin|(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valerate|(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid|(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-valerate|(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid|[3aS-(3aa,4b,6aa)]-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic acid|1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANOIC ACID, HEXAHYDRO-2-OXO-, (3AS-(3A,alpha.,4b,6Aa)|1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-|1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS,4S,6aR)-|1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3aS-(3aa,4b,6aa)]-|1swk|1swn|1swr|2'-Keto-3,4-imidazolido-2-tetrahydrothiophene-N-valeric acid|5-(2-Oxohexahydro-1H-thieno[3,4-D]imidazol-4-yl)pentanoate|5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid|5-(3AS,4S,5AR)-HEXAHYDRO-2-OXO-1H-THINO(3,4)- DIIMIDAZOL-4-YL) (3aS,4S,6aR)-|5-[(1R,5S,6S)-3-oxo-7-thia-2,4-diazabicyclo[3|15720-24-8|22879-79-4|3672-05-7|58073-87-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022679
ARPathway2016 ARPathway2016_1367 Biotin 58-85-5 DTXSID7022679 0.0 AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CS[C@@H](CCCCC(O)=O)[C@]1([H])NC(=O)N2 Biotin 58-85-5|Biotin|-(+)-biotin|(+)-Biotin|(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valerate|(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid|(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-valerate|(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid|[3aS-(3aa,4b,6aa)]-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic acid|1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANOIC ACID, HEXAHYDRO-2-OXO-, (3AS-(3A,alpha.,4b,6Aa)|1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-|1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS,4S,6aR)-|1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3aS-(3aa,4b,6aa)]-|1swk|1swn|1swr|2'-Keto-3,4-imidazolido-2-tetrahydrothiophene-N-valeric acid|5-(2-Oxohexahydro-1H-thieno[3,4-D]imidazol-4-yl)pentanoate|5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid|5-(3AS,4S,5AR)-HEXAHYDRO-2-OXO-1H-THINO(3,4)- DIIMIDAZOL-4-YL) (3aS,4S,6aR)-|5-[(1R,5S,6S)-3-oxo-7-thia-2,4-diazabicyclo[3|15720-24-8|22879-79-4|3672-05-7|58073-87-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022679
ARPathway2016 ARPathway2016_1367 Biotin 58-85-5 DTXSID7022679 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12CS[C@@H](CCCCC(O)=O)[C@]1([H])NC(=O)N2 Biotin 58-85-5|Biotin|-(+)-biotin|(+)-Biotin|(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valerate|(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid|(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-valerate|(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid|[3aS-(3aa,4b,6aa)]-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic acid|1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANOIC ACID, HEXAHYDRO-2-OXO-, (3AS-(3A,alpha.,4b,6Aa)|1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-|1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS,4S,6aR)-|1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3aS-(3aa,4b,6aa)]-|1swk|1swn|1swr|2'-Keto-3,4-imidazolido-2-tetrahydrothiophene-N-valeric acid|5-(2-Oxohexahydro-1H-thieno[3,4-D]imidazol-4-yl)pentanoate|5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid|5-(3AS,4S,5AR)-HEXAHYDRO-2-OXO-1H-THINO(3,4)- DIIMIDAZOL-4-YL) (3aS,4S,6aR)-|5-[(1R,5S,6S)-3-oxo-7-thia-2,4-diazabicyclo[3|15720-24-8|22879-79-4|3672-05-7|58073-87-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022679
ERPathway2016 ERPathway2016_1562 Biotin 58-85-5 DTXSID7022679 ER Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12CS[C@@H](CCCCC(O)=O)[C@]1([H])NC(=O)N2 Biotin 58-85-5|Biotin|-(+)-biotin|(+)-Biotin|(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valerate|(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid|(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-valerate|(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid|[3aS-(3aa,4b,6aa)]-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic acid|1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANOIC ACID, HEXAHYDRO-2-OXO-, (3AS-(3A,alpha.,4b,6Aa)|1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-|1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS,4S,6aR)-|1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3aS-(3aa,4b,6aa)]-|1swk|1swn|1swr|2'-Keto-3,4-imidazolido-2-tetrahydrothiophene-N-valeric acid|5-(2-Oxohexahydro-1H-thieno[3,4-D]imidazol-4-yl)pentanoate|5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid|5-(3AS,4S,5AR)-HEXAHYDRO-2-OXO-1H-THINO(3,4)- DIIMIDAZOL-4-YL) (3aS,4S,6aR)-|5-[(1R,5S,6S)-3-oxo-7-thia-2,4-diazabicyclo[3|15720-24-8|22879-79-4|3672-05-7|58073-87-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022679
ERPathway2016 ERPathway2016_1562 Biotin 58-85-5 DTXSID7022679 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CS[C@@H](CCCCC(O)=O)[C@]1([H])NC(=O)N2 Biotin 58-85-5|Biotin|-(+)-biotin|(+)-Biotin|(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valerate|(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid|(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-valerate|(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid|[3aS-(3aa,4b,6aa)]-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic acid|1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANOIC ACID, HEXAHYDRO-2-OXO-, (3AS-(3A,alpha.,4b,6Aa)|1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-|1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS,4S,6aR)-|1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3aS-(3aa,4b,6aa)]-|1swk|1swn|1swr|2'-Keto-3,4-imidazolido-2-tetrahydrothiophene-N-valeric acid|5-(2-Oxohexahydro-1H-thieno[3,4-D]imidazol-4-yl)pentanoate|5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid|5-(3AS,4S,5AR)-HEXAHYDRO-2-OXO-1H-THINO(3,4)- DIIMIDAZOL-4-YL) (3aS,4S,6aR)-|5-[(1R,5S,6S)-3-oxo-7-thia-2,4-diazabicyclo[3|15720-24-8|22879-79-4|3672-05-7|58073-87-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022679
ERPathway2016 ERPathway2016_1562 Biotin 58-85-5 DTXSID7022679 ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CS[C@@H](CCCCC(O)=O)[C@]1([H])NC(=O)N2 Biotin 58-85-5|Biotin|-(+)-biotin|(+)-Biotin|(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valerate|(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid|(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-valerate|(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid|[3aS-(3aa,4b,6aa)]-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic acid|1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANOIC ACID, HEXAHYDRO-2-OXO-, (3AS-(3A,alpha.,4b,6Aa)|1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-|1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS,4S,6aR)-|1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3aS-(3aa,4b,6aa)]-|1swk|1swn|1swr|2'-Keto-3,4-imidazolido-2-tetrahydrothiophene-N-valeric acid|5-(2-Oxohexahydro-1H-thieno[3,4-D]imidazol-4-yl)pentanoate|5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid|5-(3AS,4S,5AR)-HEXAHYDRO-2-OXO-1H-THINO(3,4)- DIIMIDAZOL-4-YL) (3aS,4S,6aR)-|5-[(1R,5S,6S)-3-oxo-7-thia-2,4-diazabicyclo[3|15720-24-8|22879-79-4|3672-05-7|58073-87-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022679
ERPathway2016 ERPathway2016_1562 Biotin 58-85-5 DTXSID7022679 ER Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12CS[C@@H](CCCCC(O)=O)[C@]1([H])NC(=O)N2 Biotin 58-85-5|Biotin|-(+)-biotin|(+)-Biotin|(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valerate|(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid|(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-valerate|(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid|[3aS-(3aa,4b,6aa)]-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic acid|1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANOIC ACID, HEXAHYDRO-2-OXO-, (3AS-(3A,alpha.,4b,6Aa)|1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-|1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS,4S,6aR)-|1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3aS-(3aa,4b,6aa)]-|1swk|1swn|1swr|2'-Keto-3,4-imidazolido-2-tetrahydrothiophene-N-valeric acid|5-(2-Oxohexahydro-1H-thieno[3,4-D]imidazol-4-yl)pentanoate|5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid|5-(3AS,4S,5AR)-HEXAHYDRO-2-OXO-1H-THINO(3,4)- DIIMIDAZOL-4-YL) (3aS,4S,6aR)-|5-[(1R,5S,6S)-3-oxo-7-thia-2,4-diazabicyclo[3|15720-24-8|22879-79-4|3672-05-7|58073-87-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022679
ARPathway2016 ARPathway2016_1717 Biphenyl 92-52-4 DTXSID4020161 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1=CC=C(C=C1)C1=CC=CC=C1 Biphenyl 92-52-4|Biphenyl|1,1-Biphenyl|1,1'-Biphenyl|1,1'-Diphenyl|202-163-5|Bibenzene|bifenilo|Biphenyle|Carolid AL|Caswell No. 087|COMPOUND BIPHENYL|Dibenzene|Diphenyl|E230|EC No.: 202-163-5|EINECS 202-163-5|EPA Pesticide Chemical Code 017002|FEMA No. 3129|Lemonene|NSC 14916|PC 017002|PC Code 017002|Phenador-X|Phenylbenzene|Tetrosin LY|UNII-2L9GJK6MGN|1135443-72-9|56481-93-7|72931-46-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020161 https://doi.org/10.22427/NTP-DATA-DTXSID4020161
ARPathway2016 ARPathway2016_1717 Biphenyl 92-52-4 DTXSID4020161 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1=CC=C(C=C1)C1=CC=CC=C1 Biphenyl 92-52-4|Biphenyl|1,1-Biphenyl|1,1'-Biphenyl|1,1'-Diphenyl|202-163-5|Bibenzene|bifenilo|Biphenyle|Carolid AL|Caswell No. 087|COMPOUND BIPHENYL|Dibenzene|Diphenyl|E230|EC No.: 202-163-5|EINECS 202-163-5|EPA Pesticide Chemical Code 017002|FEMA No. 3129|Lemonene|NSC 14916|PC 017002|PC Code 017002|Phenador-X|Phenylbenzene|Tetrosin LY|UNII-2L9GJK6MGN|1135443-72-9|56481-93-7|72931-46-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020161 https://doi.org/10.22427/NTP-DATA-DTXSID4020161
ARPathway2016 ARPathway2016_1717 Biphenyl 92-52-4 DTXSID4020161 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1=CC=C(C=C1)C1=CC=CC=C1 Biphenyl 92-52-4|Biphenyl|1,1-Biphenyl|1,1'-Biphenyl|1,1'-Diphenyl|202-163-5|Bibenzene|bifenilo|Biphenyle|Carolid AL|Caswell No. 087|COMPOUND BIPHENYL|Dibenzene|Diphenyl|E230|EC No.: 202-163-5|EINECS 202-163-5|EPA Pesticide Chemical Code 017002|FEMA No. 3129|Lemonene|NSC 14916|PC 017002|PC Code 017002|Phenador-X|Phenylbenzene|Tetrosin LY|UNII-2L9GJK6MGN|1135443-72-9|56481-93-7|72931-46-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020161 https://doi.org/10.22427/NTP-DATA-DTXSID4020161
ARPathway2016 ARPathway2016_1717 Biphenyl 92-52-4 DTXSID4020161 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1=CC=C(C=C1)C1=CC=CC=C1 Biphenyl 92-52-4|Biphenyl|1,1-Biphenyl|1,1'-Biphenyl|1,1'-Diphenyl|202-163-5|Bibenzene|bifenilo|Biphenyle|Carolid AL|Caswell No. 087|COMPOUND BIPHENYL|Dibenzene|Diphenyl|E230|EC No.: 202-163-5|EINECS 202-163-5|EPA Pesticide Chemical Code 017002|FEMA No. 3129|Lemonene|NSC 14916|PC 017002|PC Code 017002|Phenador-X|Phenylbenzene|Tetrosin LY|UNII-2L9GJK6MGN|1135443-72-9|56481-93-7|72931-46-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020161 https://doi.org/10.22427/NTP-DATA-DTXSID4020161
ERPathway2016 ERPathway2016_875 Biphenyl 92-52-4 DTXSID4020161 ER Pathway Model, Agonist Model Score 0 Unitless C1=CC=C(C=C1)C1=CC=CC=C1 Biphenyl 92-52-4|Biphenyl|1,1-Biphenyl|1,1'-Biphenyl|1,1'-Diphenyl|202-163-5|Bibenzene|bifenilo|Biphenyle|Carolid AL|Caswell No. 087|COMPOUND BIPHENYL|Dibenzene|Diphenyl|E230|EC No.: 202-163-5|EINECS 202-163-5|EPA Pesticide Chemical Code 017002|FEMA No. 3129|Lemonene|NSC 14916|PC 017002|PC Code 017002|Phenador-X|Phenylbenzene|Tetrosin LY|UNII-2L9GJK6MGN|1135443-72-9|56481-93-7|72931-46-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020161 https://doi.org/10.22427/NTP-DATA-DTXSID4020161
ERPathway2016 ERPathway2016_875 Biphenyl 92-52-4 DTXSID4020161 ER Pathway Model, Antagonist Model Score 0 Unitless C1=CC=C(C=C1)C1=CC=CC=C1 Biphenyl 92-52-4|Biphenyl|1,1-Biphenyl|1,1'-Biphenyl|1,1'-Diphenyl|202-163-5|Bibenzene|bifenilo|Biphenyle|Carolid AL|Caswell No. 087|COMPOUND BIPHENYL|Dibenzene|Diphenyl|E230|EC No.: 202-163-5|EINECS 202-163-5|EPA Pesticide Chemical Code 017002|FEMA No. 3129|Lemonene|NSC 14916|PC 017002|PC Code 017002|Phenador-X|Phenylbenzene|Tetrosin LY|UNII-2L9GJK6MGN|1135443-72-9|56481-93-7|72931-46-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020161 https://doi.org/10.22427/NTP-DATA-DTXSID4020161
ERPathway2016 ERPathway2016_875 Biphenyl 92-52-4 DTXSID4020161 ER Pathway Model, Agonist Call Inactive Unitless C1=CC=C(C=C1)C1=CC=CC=C1 Biphenyl 92-52-4|Biphenyl|1,1-Biphenyl|1,1'-Biphenyl|1,1'-Diphenyl|202-163-5|Bibenzene|bifenilo|Biphenyle|Carolid AL|Caswell No. 087|COMPOUND BIPHENYL|Dibenzene|Diphenyl|E230|EC No.: 202-163-5|EINECS 202-163-5|EPA Pesticide Chemical Code 017002|FEMA No. 3129|Lemonene|NSC 14916|PC 017002|PC Code 017002|Phenador-X|Phenylbenzene|Tetrosin LY|UNII-2L9GJK6MGN|1135443-72-9|56481-93-7|72931-46-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020161 https://doi.org/10.22427/NTP-DATA-DTXSID4020161
ERPathway2016 ERPathway2016_875 Biphenyl 92-52-4 DTXSID4020161 ER Pathway Model, Antagonist Call Inactive Unitless C1=CC=C(C=C1)C1=CC=CC=C1 Biphenyl 92-52-4|Biphenyl|1,1-Biphenyl|1,1'-Biphenyl|1,1'-Diphenyl|202-163-5|Bibenzene|bifenilo|Biphenyle|Carolid AL|Caswell No. 087|COMPOUND BIPHENYL|Dibenzene|Diphenyl|E230|EC No.: 202-163-5|EINECS 202-163-5|EPA Pesticide Chemical Code 017002|FEMA No. 3129|Lemonene|NSC 14916|PC 017002|PC Code 017002|Phenador-X|Phenylbenzene|Tetrosin LY|UNII-2L9GJK6MGN|1135443-72-9|56481-93-7|72931-46-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020161 https://doi.org/10.22427/NTP-DATA-DTXSID4020161
ARPathway2016 ARPathway2016_859 Bis(1-methylethyl) methylphosphonate 1445-75-6 DTXSID5024051 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)OP(C)(=O)OC(C)C Bis(1-methylethyl) methylphosphonate 1445-75-6|Bis(1-methylethyl) methylphosphonate|4-04-00-03501|Bis(1-methylethyl) methylphosphonate|BRN 1761635|Diisopropyl methanephosphonate|Diisopropyl methylphosphonate|DIMP|EINECS 215-896-0|Methylphosphonic acid bis(1-methylethyl)ester|Phosphonic acid, P-methyl-, bis(1-methylethyl) ester|UNII-56V3OG5DC7|169301-54-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024051
ARPathway2016 ARPathway2016_859 Bis(1-methylethyl) methylphosphonate 1445-75-6 DTXSID5024051 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)OP(C)(=O)OC(C)C Bis(1-methylethyl) methylphosphonate 1445-75-6|Bis(1-methylethyl) methylphosphonate|4-04-00-03501|Bis(1-methylethyl) methylphosphonate|BRN 1761635|Diisopropyl methanephosphonate|Diisopropyl methylphosphonate|DIMP|EINECS 215-896-0|Methylphosphonic acid bis(1-methylethyl)ester|Phosphonic acid, P-methyl-, bis(1-methylethyl) ester|UNII-56V3OG5DC7|169301-54-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024051
ARPathway2016 ARPathway2016_859 Bis(1-methylethyl) methylphosphonate 1445-75-6 DTXSID5024051 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)OP(C)(=O)OC(C)C Bis(1-methylethyl) methylphosphonate 1445-75-6|Bis(1-methylethyl) methylphosphonate|4-04-00-03501|Bis(1-methylethyl) methylphosphonate|BRN 1761635|Diisopropyl methanephosphonate|Diisopropyl methylphosphonate|DIMP|EINECS 215-896-0|Methylphosphonic acid bis(1-methylethyl)ester|Phosphonic acid, P-methyl-, bis(1-methylethyl) ester|UNII-56V3OG5DC7|169301-54-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024051
ARPathway2016 ARPathway2016_859 Bis(1-methylethyl) methylphosphonate 1445-75-6 DTXSID5024051 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)OP(C)(=O)OC(C)C Bis(1-methylethyl) methylphosphonate 1445-75-6|Bis(1-methylethyl) methylphosphonate|4-04-00-03501|Bis(1-methylethyl) methylphosphonate|BRN 1761635|Diisopropyl methanephosphonate|Diisopropyl methylphosphonate|DIMP|EINECS 215-896-0|Methylphosphonic acid bis(1-methylethyl)ester|Phosphonic acid, P-methyl-, bis(1-methylethyl) ester|UNII-56V3OG5DC7|169301-54-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024051
ERPathway2016 ERPathway2016_1309 Bis(1-methylethyl) methylphosphonate 1445-75-6 DTXSID5024051 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)OP(C)(=O)OC(C)C Bis(1-methylethyl) methylphosphonate 1445-75-6|Bis(1-methylethyl) methylphosphonate|4-04-00-03501|Bis(1-methylethyl) methylphosphonate|BRN 1761635|Diisopropyl methanephosphonate|Diisopropyl methylphosphonate|DIMP|EINECS 215-896-0|Methylphosphonic acid bis(1-methylethyl)ester|Phosphonic acid, P-methyl-, bis(1-methylethyl) ester|UNII-56V3OG5DC7|169301-54-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024051
ERPathway2016 ERPathway2016_1309 Bis(1-methylethyl) methylphosphonate 1445-75-6 DTXSID5024051 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)OP(C)(=O)OC(C)C Bis(1-methylethyl) methylphosphonate 1445-75-6|Bis(1-methylethyl) methylphosphonate|4-04-00-03501|Bis(1-methylethyl) methylphosphonate|BRN 1761635|Diisopropyl methanephosphonate|Diisopropyl methylphosphonate|DIMP|EINECS 215-896-0|Methylphosphonic acid bis(1-methylethyl)ester|Phosphonic acid, P-methyl-, bis(1-methylethyl) ester|UNII-56V3OG5DC7|169301-54-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024051
ERPathway2016 ERPathway2016_1309 Bis(1-methylethyl) methylphosphonate 1445-75-6 DTXSID5024051 ER Pathway Model, Agonist Call Inactive Unitless CC(C)OP(C)(=O)OC(C)C Bis(1-methylethyl) methylphosphonate 1445-75-6|Bis(1-methylethyl) methylphosphonate|4-04-00-03501|Bis(1-methylethyl) methylphosphonate|BRN 1761635|Diisopropyl methanephosphonate|Diisopropyl methylphosphonate|DIMP|EINECS 215-896-0|Methylphosphonic acid bis(1-methylethyl)ester|Phosphonic acid, P-methyl-, bis(1-methylethyl) ester|UNII-56V3OG5DC7|169301-54-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024051
ERPathway2016 ERPathway2016_1309 Bis(1-methylethyl) methylphosphonate 1445-75-6 DTXSID5024051 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)OP(C)(=O)OC(C)C Bis(1-methylethyl) methylphosphonate 1445-75-6|Bis(1-methylethyl) methylphosphonate|4-04-00-03501|Bis(1-methylethyl) methylphosphonate|BRN 1761635|Diisopropyl methanephosphonate|Diisopropyl methylphosphonate|DIMP|EINECS 215-896-0|Methylphosphonic acid bis(1-methylethyl)ester|Phosphonic acid, P-methyl-, bis(1-methylethyl) ester|UNII-56V3OG5DC7|169301-54-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024051
ARPathway2016 ARPathway2016_702 Bis(2-ethylhexyl) decanedioate 122-62-3 DTXSID7025055 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl) decanedioate 122-62-3|Bis(2-ethylhexyl) decanedioate|1-Hexanol, 2-ethyl-, sebacate|2-Ethylhexyl sebacate|4-02-00-02083|Bis-(2-ethylhexyl)ester kyseliny sebakove|bis(2-ethylhexyl) sebacate|Bis(2-ethylhexyl)sebacat|Bis(2-ethylhexyl)sebacate|Bis(ethylhexyl) sebacate|Bisoflex|Bisoflex DOS|BRN 1806504|DECANEDIOATE, BIS(2-ETHYLHEXYL)|Decanedioic acid bis(2-ethylhexyl) ester|Decanedioic acid di(2-ethylhexyl) ester|Decanedioic acid, 1,10-bis(2-ethylhexyl) ester|Decanedioic acid, bis(2-ethylhexyl) ester|DECANEDIOIC ACID, BIS(2-ETHYLHEXYL)ESTER|DEHS|Di-2-ethylhexyl sebacate|Di(2-ethylhexyl)sebacate|Diethylhexyl sebacate|Dioctyl sebacate|Edenor DEHS|EINECS 204-558-8|Ergoplast SDO|Hallstar DOS|Monoplex DOS|NSC 68878|Octoil S|Plasthall DOS|Plexol 201J|Reolube DOS|Reomol DDS|Sansocizer DOS|Sebacate de bis(2-ethylhexyle)|sebacato de bis(2-etilhexilo)|Sebacic acid bis(2-ethylhexyl) ester|Sebacic acid di-2-ethylhexyl diester|Sebacic acid di(2-ethylhexyl) ester|Sebacic acid, bis(2-ethylhexyl) ester|Sebacic acid, di-2-ethylhexyl diester|Staflex DOS|Trivent DOS|Uniflex DOS|UNII-U9|131170-17-7|28986-40-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025055 https://doi.org/10.22427/NTP-DATA-DTXSID7025055
ARPathway2016 ARPathway2016_702 Bis(2-ethylhexyl) decanedioate 122-62-3 DTXSID7025055 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl) decanedioate 122-62-3|Bis(2-ethylhexyl) decanedioate|1-Hexanol, 2-ethyl-, sebacate|2-Ethylhexyl sebacate|4-02-00-02083|Bis-(2-ethylhexyl)ester kyseliny sebakove|bis(2-ethylhexyl) sebacate|Bis(2-ethylhexyl)sebacat|Bis(2-ethylhexyl)sebacate|Bis(ethylhexyl) sebacate|Bisoflex|Bisoflex DOS|BRN 1806504|DECANEDIOATE, BIS(2-ETHYLHEXYL)|Decanedioic acid bis(2-ethylhexyl) ester|Decanedioic acid di(2-ethylhexyl) ester|Decanedioic acid, 1,10-bis(2-ethylhexyl) ester|Decanedioic acid, bis(2-ethylhexyl) ester|DECANEDIOIC ACID, BIS(2-ETHYLHEXYL)ESTER|DEHS|Di-2-ethylhexyl sebacate|Di(2-ethylhexyl)sebacate|Diethylhexyl sebacate|Dioctyl sebacate|Edenor DEHS|EINECS 204-558-8|Ergoplast SDO|Hallstar DOS|Monoplex DOS|NSC 68878|Octoil S|Plasthall DOS|Plexol 201J|Reolube DOS|Reomol DDS|Sansocizer DOS|Sebacate de bis(2-ethylhexyle)|sebacato de bis(2-etilhexilo)|Sebacic acid bis(2-ethylhexyl) ester|Sebacic acid di-2-ethylhexyl diester|Sebacic acid di(2-ethylhexyl) ester|Sebacic acid, bis(2-ethylhexyl) ester|Sebacic acid, di-2-ethylhexyl diester|Staflex DOS|Trivent DOS|Uniflex DOS|UNII-U9|131170-17-7|28986-40-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025055 https://doi.org/10.22427/NTP-DATA-DTXSID7025055
ARPathway2016 ARPathway2016_702 Bis(2-ethylhexyl) decanedioate 122-62-3 DTXSID7025055 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl) decanedioate 122-62-3|Bis(2-ethylhexyl) decanedioate|1-Hexanol, 2-ethyl-, sebacate|2-Ethylhexyl sebacate|4-02-00-02083|Bis-(2-ethylhexyl)ester kyseliny sebakove|bis(2-ethylhexyl) sebacate|Bis(2-ethylhexyl)sebacat|Bis(2-ethylhexyl)sebacate|Bis(ethylhexyl) sebacate|Bisoflex|Bisoflex DOS|BRN 1806504|DECANEDIOATE, BIS(2-ETHYLHEXYL)|Decanedioic acid bis(2-ethylhexyl) ester|Decanedioic acid di(2-ethylhexyl) ester|Decanedioic acid, 1,10-bis(2-ethylhexyl) ester|Decanedioic acid, bis(2-ethylhexyl) ester|DECANEDIOIC ACID, BIS(2-ETHYLHEXYL)ESTER|DEHS|Di-2-ethylhexyl sebacate|Di(2-ethylhexyl)sebacate|Diethylhexyl sebacate|Dioctyl sebacate|Edenor DEHS|EINECS 204-558-8|Ergoplast SDO|Hallstar DOS|Monoplex DOS|NSC 68878|Octoil S|Plasthall DOS|Plexol 201J|Reolube DOS|Reomol DDS|Sansocizer DOS|Sebacate de bis(2-ethylhexyle)|sebacato de bis(2-etilhexilo)|Sebacic acid bis(2-ethylhexyl) ester|Sebacic acid di-2-ethylhexyl diester|Sebacic acid di(2-ethylhexyl) ester|Sebacic acid, bis(2-ethylhexyl) ester|Sebacic acid, di-2-ethylhexyl diester|Staflex DOS|Trivent DOS|Uniflex DOS|UNII-U9|131170-17-7|28986-40-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025055 https://doi.org/10.22427/NTP-DATA-DTXSID7025055
ARPathway2016 ARPathway2016_702 Bis(2-ethylhexyl) decanedioate 122-62-3 DTXSID7025055 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl) decanedioate 122-62-3|Bis(2-ethylhexyl) decanedioate|1-Hexanol, 2-ethyl-, sebacate|2-Ethylhexyl sebacate|4-02-00-02083|Bis-(2-ethylhexyl)ester kyseliny sebakove|bis(2-ethylhexyl) sebacate|Bis(2-ethylhexyl)sebacat|Bis(2-ethylhexyl)sebacate|Bis(ethylhexyl) sebacate|Bisoflex|Bisoflex DOS|BRN 1806504|DECANEDIOATE, BIS(2-ETHYLHEXYL)|Decanedioic acid bis(2-ethylhexyl) ester|Decanedioic acid di(2-ethylhexyl) ester|Decanedioic acid, 1,10-bis(2-ethylhexyl) ester|Decanedioic acid, bis(2-ethylhexyl) ester|DECANEDIOIC ACID, BIS(2-ETHYLHEXYL)ESTER|DEHS|Di-2-ethylhexyl sebacate|Di(2-ethylhexyl)sebacate|Diethylhexyl sebacate|Dioctyl sebacate|Edenor DEHS|EINECS 204-558-8|Ergoplast SDO|Hallstar DOS|Monoplex DOS|NSC 68878|Octoil S|Plasthall DOS|Plexol 201J|Reolube DOS|Reomol DDS|Sansocizer DOS|Sebacate de bis(2-ethylhexyle)|sebacato de bis(2-etilhexilo)|Sebacic acid bis(2-ethylhexyl) ester|Sebacic acid di-2-ethylhexyl diester|Sebacic acid di(2-ethylhexyl) ester|Sebacic acid, bis(2-ethylhexyl) ester|Sebacic acid, di-2-ethylhexyl diester|Staflex DOS|Trivent DOS|Uniflex DOS|UNII-U9|131170-17-7|28986-40-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025055 https://doi.org/10.22427/NTP-DATA-DTXSID7025055
ARPathway2016 ARPathway2016_842 Bis(2-ethylhexyl) maleate 142-16-5 DTXSID2027094 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C=C/C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) maleate 142-16-5|Bis(2-ethylhexyl) maleate|"Dioctyl" maleate|2-Butenedioic acid (2Z)-, 1,4-bis(2-ethylhexyl) ester|2-Butenedioic acid (2Z)-, bis(2-ethylhexyl) ester|Bis-(2-ethylhexyl)ester kyseliny maleinove|Bis(2-ethylhexyl) (2Z)-but-2-enedioate|Bis(2-ethylhexyl)maleate|BRN 1729133|Di-(2-ethylhexyl)maleate|EINECS 205-524-5|RC Comonomer DOM|UNII-C2F7JHI12L|48075-77-0|77666-69-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027094
ARPathway2016 ARPathway2016_842 Bis(2-ethylhexyl) maleate 142-16-5 DTXSID2027094 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)C=C/C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) maleate 142-16-5|Bis(2-ethylhexyl) maleate|"Dioctyl" maleate|2-Butenedioic acid (2Z)-, 1,4-bis(2-ethylhexyl) ester|2-Butenedioic acid (2Z)-, bis(2-ethylhexyl) ester|Bis-(2-ethylhexyl)ester kyseliny maleinove|Bis(2-ethylhexyl) (2Z)-but-2-enedioate|Bis(2-ethylhexyl)maleate|BRN 1729133|Di-(2-ethylhexyl)maleate|EINECS 205-524-5|RC Comonomer DOM|UNII-C2F7JHI12L|48075-77-0|77666-69-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027094
ARPathway2016 ARPathway2016_842 Bis(2-ethylhexyl) maleate 142-16-5 DTXSID2027094 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C=C/C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) maleate 142-16-5|Bis(2-ethylhexyl) maleate|"Dioctyl" maleate|2-Butenedioic acid (2Z)-, 1,4-bis(2-ethylhexyl) ester|2-Butenedioic acid (2Z)-, bis(2-ethylhexyl) ester|Bis-(2-ethylhexyl)ester kyseliny maleinove|Bis(2-ethylhexyl) (2Z)-but-2-enedioate|Bis(2-ethylhexyl)maleate|BRN 1729133|Di-(2-ethylhexyl)maleate|EINECS 205-524-5|RC Comonomer DOM|UNII-C2F7JHI12L|48075-77-0|77666-69-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027094
ARPathway2016 ARPathway2016_842 Bis(2-ethylhexyl) maleate 142-16-5 DTXSID2027094 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)C=C/C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) maleate 142-16-5|Bis(2-ethylhexyl) maleate|"Dioctyl" maleate|2-Butenedioic acid (2Z)-, 1,4-bis(2-ethylhexyl) ester|2-Butenedioic acid (2Z)-, bis(2-ethylhexyl) ester|Bis-(2-ethylhexyl)ester kyseliny maleinove|Bis(2-ethylhexyl) (2Z)-but-2-enedioate|Bis(2-ethylhexyl)maleate|BRN 1729133|Di-(2-ethylhexyl)maleate|EINECS 205-524-5|RC Comonomer DOM|UNII-C2F7JHI12L|48075-77-0|77666-69-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027094
ERPathway2016 ERPathway2016_784 Bis(2-ethylhexyl) maleate 142-16-5 DTXSID2027094 A13 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)C=C/C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) maleate 142-16-5|Bis(2-ethylhexyl) maleate|"Dioctyl" maleate|2-Butenedioic acid (2Z)-, 1,4-bis(2-ethylhexyl) ester|2-Butenedioic acid (2Z)-, bis(2-ethylhexyl) ester|Bis-(2-ethylhexyl)ester kyseliny maleinove|Bis(2-ethylhexyl) (2Z)-but-2-enedioate|Bis(2-ethylhexyl)maleate|BRN 1729133|Di-(2-ethylhexyl)maleate|EINECS 205-524-5|RC Comonomer DOM|UNII-C2F7JHI12L|48075-77-0|77666-69-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027094
ERPathway2016 ERPathway2016_784 Bis(2-ethylhexyl) maleate 142-16-5 DTXSID2027094 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C=C/C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) maleate 142-16-5|Bis(2-ethylhexyl) maleate|"Dioctyl" maleate|2-Butenedioic acid (2Z)-, 1,4-bis(2-ethylhexyl) ester|2-Butenedioic acid (2Z)-, bis(2-ethylhexyl) ester|Bis-(2-ethylhexyl)ester kyseliny maleinove|Bis(2-ethylhexyl) (2Z)-but-2-enedioate|Bis(2-ethylhexyl)maleate|BRN 1729133|Di-(2-ethylhexyl)maleate|EINECS 205-524-5|RC Comonomer DOM|UNII-C2F7JHI12L|48075-77-0|77666-69-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027094
ERPathway2016 ERPathway2016_784 Bis(2-ethylhexyl) maleate 142-16-5 DTXSID2027094 A13 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C=C/C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) maleate 142-16-5|Bis(2-ethylhexyl) maleate|"Dioctyl" maleate|2-Butenedioic acid (2Z)-, 1,4-bis(2-ethylhexyl) ester|2-Butenedioic acid (2Z)-, bis(2-ethylhexyl) ester|Bis-(2-ethylhexyl)ester kyseliny maleinove|Bis(2-ethylhexyl) (2Z)-but-2-enedioate|Bis(2-ethylhexyl)maleate|BRN 1729133|Di-(2-ethylhexyl)maleate|EINECS 205-524-5|RC Comonomer DOM|UNII-C2F7JHI12L|48075-77-0|77666-69-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027094
ERPathway2016 ERPathway2016_784 Bis(2-ethylhexyl) maleate 142-16-5 DTXSID2027094 A13 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)C=C/C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) maleate 142-16-5|Bis(2-ethylhexyl) maleate|"Dioctyl" maleate|2-Butenedioic acid (2Z)-, 1,4-bis(2-ethylhexyl) ester|2-Butenedioic acid (2Z)-, bis(2-ethylhexyl) ester|Bis-(2-ethylhexyl)ester kyseliny maleinove|Bis(2-ethylhexyl) (2Z)-but-2-enedioate|Bis(2-ethylhexyl)maleate|BRN 1729133|Di-(2-ethylhexyl)maleate|EINECS 205-524-5|RC Comonomer DOM|UNII-C2F7JHI12L|48075-77-0|77666-69-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027094
ARPathway2016 ARPathway2016_435 Bis(2-ethylhexyl) nonanedioate 103-24-2 DTXSID3026697 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl) nonanedioate 103-24-2|Bis(2-ethylhexyl) nonanedioate|3-02-00-01787|Azelaic acid, di(2-ethylhexyl)ester|Bis-(2-ethylhexyl)ester kyseliny azelaove|Bis(2-ethylhexyl)azelate|BRN 1806182|Di(2-ethylhexyl) azelate|Dioctyl azelate|Dioctyl nonanedioate|EINECS 203-091-7|Emolien 2986|Nonanedioic acid, bis(2-ethylhexyl) ester|Octyl azelate|Plastolein 9058|Plastolein 9058 DOZ|Plastolein 9058DOZ|Sansocizer DOZ|Staflex DOX|Truflex DOX|UNII-5D67SBH6QB|29058-99-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026697
ARPathway2016 ARPathway2016_435 Bis(2-ethylhexyl) nonanedioate 103-24-2 DTXSID3026697 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl) nonanedioate 103-24-2|Bis(2-ethylhexyl) nonanedioate|3-02-00-01787|Azelaic acid, di(2-ethylhexyl)ester|Bis-(2-ethylhexyl)ester kyseliny azelaove|Bis(2-ethylhexyl)azelate|BRN 1806182|Di(2-ethylhexyl) azelate|Dioctyl azelate|Dioctyl nonanedioate|EINECS 203-091-7|Emolien 2986|Nonanedioic acid, bis(2-ethylhexyl) ester|Octyl azelate|Plastolein 9058|Plastolein 9058 DOZ|Plastolein 9058DOZ|Sansocizer DOZ|Staflex DOX|Truflex DOX|UNII-5D67SBH6QB|29058-99-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026697
ARPathway2016 ARPathway2016_435 Bis(2-ethylhexyl) nonanedioate 103-24-2 DTXSID3026697 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl) nonanedioate 103-24-2|Bis(2-ethylhexyl) nonanedioate|3-02-00-01787|Azelaic acid, di(2-ethylhexyl)ester|Bis-(2-ethylhexyl)ester kyseliny azelaove|Bis(2-ethylhexyl)azelate|BRN 1806182|Di(2-ethylhexyl) azelate|Dioctyl azelate|Dioctyl nonanedioate|EINECS 203-091-7|Emolien 2986|Nonanedioic acid, bis(2-ethylhexyl) ester|Octyl azelate|Plastolein 9058|Plastolein 9058 DOZ|Plastolein 9058DOZ|Sansocizer DOZ|Staflex DOX|Truflex DOX|UNII-5D67SBH6QB|29058-99-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026697
ARPathway2016 ARPathway2016_435 Bis(2-ethylhexyl) nonanedioate 103-24-2 DTXSID3026697 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl) nonanedioate 103-24-2|Bis(2-ethylhexyl) nonanedioate|3-02-00-01787|Azelaic acid, di(2-ethylhexyl)ester|Bis-(2-ethylhexyl)ester kyseliny azelaove|Bis(2-ethylhexyl)azelate|BRN 1806182|Di(2-ethylhexyl) azelate|Dioctyl azelate|Dioctyl nonanedioate|EINECS 203-091-7|Emolien 2986|Nonanedioic acid, bis(2-ethylhexyl) ester|Octyl azelate|Plastolein 9058|Plastolein 9058 DOZ|Plastolein 9058DOZ|Sansocizer DOZ|Staflex DOX|Truflex DOX|UNII-5D67SBH6QB|29058-99-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026697
ERPathway2016 ERPathway2016_971 Bis(2-ethylhexyl) nonanedioate 103-24-2 DTXSID3026697 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl) nonanedioate 103-24-2|Bis(2-ethylhexyl) nonanedioate|3-02-00-01787|Azelaic acid, di(2-ethylhexyl)ester|Bis-(2-ethylhexyl)ester kyseliny azelaove|Bis(2-ethylhexyl)azelate|BRN 1806182|Di(2-ethylhexyl) azelate|Dioctyl azelate|Dioctyl nonanedioate|EINECS 203-091-7|Emolien 2986|Nonanedioic acid, bis(2-ethylhexyl) ester|Octyl azelate|Plastolein 9058|Plastolein 9058 DOZ|Plastolein 9058DOZ|Sansocizer DOZ|Staflex DOX|Truflex DOX|UNII-5D67SBH6QB|29058-99-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026697
ERPathway2016 ERPathway2016_971 Bis(2-ethylhexyl) nonanedioate 103-24-2 DTXSID3026697 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl) nonanedioate 103-24-2|Bis(2-ethylhexyl) nonanedioate|3-02-00-01787|Azelaic acid, di(2-ethylhexyl)ester|Bis-(2-ethylhexyl)ester kyseliny azelaove|Bis(2-ethylhexyl)azelate|BRN 1806182|Di(2-ethylhexyl) azelate|Dioctyl azelate|Dioctyl nonanedioate|EINECS 203-091-7|Emolien 2986|Nonanedioic acid, bis(2-ethylhexyl) ester|Octyl azelate|Plastolein 9058|Plastolein 9058 DOZ|Plastolein 9058DOZ|Sansocizer DOZ|Staflex DOX|Truflex DOX|UNII-5D67SBH6QB|29058-99-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026697
ERPathway2016 ERPathway2016_971 Bis(2-ethylhexyl) nonanedioate 103-24-2 DTXSID3026697 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl) nonanedioate 103-24-2|Bis(2-ethylhexyl) nonanedioate|3-02-00-01787|Azelaic acid, di(2-ethylhexyl)ester|Bis-(2-ethylhexyl)ester kyseliny azelaove|Bis(2-ethylhexyl)azelate|BRN 1806182|Di(2-ethylhexyl) azelate|Dioctyl azelate|Dioctyl nonanedioate|EINECS 203-091-7|Emolien 2986|Nonanedioic acid, bis(2-ethylhexyl) ester|Octyl azelate|Plastolein 9058|Plastolein 9058 DOZ|Plastolein 9058DOZ|Sansocizer DOZ|Staflex DOX|Truflex DOX|UNII-5D67SBH6QB|29058-99-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026697
ERPathway2016 ERPathway2016_971 Bis(2-ethylhexyl) nonanedioate 103-24-2 DTXSID3026697 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl) nonanedioate 103-24-2|Bis(2-ethylhexyl) nonanedioate|3-02-00-01787|Azelaic acid, di(2-ethylhexyl)ester|Bis-(2-ethylhexyl)ester kyseliny azelaove|Bis(2-ethylhexyl)azelate|BRN 1806182|Di(2-ethylhexyl) azelate|Dioctyl azelate|Dioctyl nonanedioate|EINECS 203-091-7|Emolien 2986|Nonanedioic acid, bis(2-ethylhexyl) ester|Octyl azelate|Plastolein 9058|Plastolein 9058 DOZ|Plastolein 9058DOZ|Sansocizer DOZ|Staflex DOX|Truflex DOX|UNII-5D67SBH6QB|29058-99-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026697
ARPathway2016 ARPathway2016_147 Bis(2-ethylhexyl) phosphate 298-07-7 DTXSID1027134 1.0 Antagonist AR Pathway Model, Agonist AC50 4.49363743354048 uM CCCCC(CC)COP(O)(=O)OCC(CC)CCCC Bis(2-ethylhexyl) phosphate 298-07-7|Bis(2-ethylhexyl) phosphate|1-Hexanol, 2-ethyl-, hydrogen phosphate|2-Ethyl-1-hexanol hydrogen phosphate|BIS-(2-AETHYLHEXYL)-PHOSPHAT|bis(2-ethylhexyl) hydrogen phosphate|Bis(2-ethylhexyl) orthophosphate|Bis(2-ethylhexyl) phosphoric acid|Bis(2-ethylhexyl)hydrogen phosphate|Bis(2-ethylhexyl)hydrogenphosphat|Bis(2-ethylhexyl)orthophosphoric acid|BIS(2-ETHYLHEXYL)PHOSPHATE|BIS(2-ETHYLHEXYL)PHOSPHORIC ACID|Bis(isooctyl)phosphate|BRN 1712988|Dehpa extractant|Di-(2-ethylhexyl) acid phosphate|DI-(2-ETHYLHEXYL)PHOSPHORIC ACID|Di-2-ethylhexyl hydrogen phosphate|Di-2(ethylhexyl)phosphoric acid|Di(2-ethylhexyl) orthophosphoric acid|Di(2-ethylhexyl) phosphate|Di(2-ethylhexyl) phosphoric acid|Di(2-ethylhexyl)orthophosphoric acid|Di(2-ethylhexyl)phosphate|Di(2-ethylhexyl)phosphoric acid|Dioctyl hydrogen phosphate|Dioctyl orthophosphate|Dioctylphosphate|EINECS 206-056-4|hidrogenofosfato de bis(2-etilhexilo)|Hostarex PA 216|Hydrogen bis(2-ethylhexyl) phosphate|Hydrogenophosphate de bis(2-ethylhexyle)|Kyselina di-(2-ethylhexyl)fosforecna|O,O-Bis(2-ethyl|1179814-34-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027134
ARPathway2016 ARPathway2016_147 Bis(2-ethylhexyl) phosphate 298-07-7 DTXSID1027134 1.0 Antagonist AR Pathway Model, Agonist ACC 18.23592761 uM CCCCC(CC)COP(O)(=O)OCC(CC)CCCC Bis(2-ethylhexyl) phosphate 298-07-7|Bis(2-ethylhexyl) phosphate|1-Hexanol, 2-ethyl-, hydrogen phosphate|2-Ethyl-1-hexanol hydrogen phosphate|BIS-(2-AETHYLHEXYL)-PHOSPHAT|bis(2-ethylhexyl) hydrogen phosphate|Bis(2-ethylhexyl) orthophosphate|Bis(2-ethylhexyl) phosphoric acid|Bis(2-ethylhexyl)hydrogen phosphate|Bis(2-ethylhexyl)hydrogenphosphat|Bis(2-ethylhexyl)orthophosphoric acid|BIS(2-ETHYLHEXYL)PHOSPHATE|BIS(2-ETHYLHEXYL)PHOSPHORIC ACID|Bis(isooctyl)phosphate|BRN 1712988|Dehpa extractant|Di-(2-ethylhexyl) acid phosphate|DI-(2-ETHYLHEXYL)PHOSPHORIC ACID|Di-2-ethylhexyl hydrogen phosphate|Di-2(ethylhexyl)phosphoric acid|Di(2-ethylhexyl) orthophosphoric acid|Di(2-ethylhexyl) phosphate|Di(2-ethylhexyl) phosphoric acid|Di(2-ethylhexyl)orthophosphoric acid|Di(2-ethylhexyl)phosphate|Di(2-ethylhexyl)phosphoric acid|Dioctyl hydrogen phosphate|Dioctyl orthophosphate|Dioctylphosphate|EINECS 206-056-4|hidrogenofosfato de bis(2-etilhexilo)|Hostarex PA 216|Hydrogen bis(2-ethylhexyl) phosphate|Hydrogenophosphate de bis(2-ethylhexyle)|Kyselina di-(2-ethylhexyl)fosforecna|O,O-Bis(2-ethyl|1179814-34-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027134
ARPathway2016 ARPathway2016_147 Bis(2-ethylhexyl) phosphate 298-07-7 DTXSID1027134 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0598 Unitless CCCCC(CC)COP(O)(=O)OCC(CC)CCCC Bis(2-ethylhexyl) phosphate 298-07-7|Bis(2-ethylhexyl) phosphate|1-Hexanol, 2-ethyl-, hydrogen phosphate|2-Ethyl-1-hexanol hydrogen phosphate|BIS-(2-AETHYLHEXYL)-PHOSPHAT|bis(2-ethylhexyl) hydrogen phosphate|Bis(2-ethylhexyl) orthophosphate|Bis(2-ethylhexyl) phosphoric acid|Bis(2-ethylhexyl)hydrogen phosphate|Bis(2-ethylhexyl)hydrogenphosphat|Bis(2-ethylhexyl)orthophosphoric acid|BIS(2-ETHYLHEXYL)PHOSPHATE|BIS(2-ETHYLHEXYL)PHOSPHORIC ACID|Bis(isooctyl)phosphate|BRN 1712988|Dehpa extractant|Di-(2-ethylhexyl) acid phosphate|DI-(2-ETHYLHEXYL)PHOSPHORIC ACID|Di-2-ethylhexyl hydrogen phosphate|Di-2(ethylhexyl)phosphoric acid|Di(2-ethylhexyl) orthophosphoric acid|Di(2-ethylhexyl) phosphate|Di(2-ethylhexyl) phosphoric acid|Di(2-ethylhexyl)orthophosphoric acid|Di(2-ethylhexyl)phosphate|Di(2-ethylhexyl)phosphoric acid|Dioctyl hydrogen phosphate|Dioctyl orthophosphate|Dioctylphosphate|EINECS 206-056-4|hidrogenofosfato de bis(2-etilhexilo)|Hostarex PA 216|Hydrogen bis(2-ethylhexyl) phosphate|Hydrogenophosphate de bis(2-ethylhexyle)|Kyselina di-(2-ethylhexyl)fosforecna|O,O-Bis(2-ethyl|1179814-34-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027134
ARPathway2016 ARPathway2016_147 Bis(2-ethylhexyl) phosphate 298-07-7 DTXSID1027134 1.0 Antagonist AR Pathway Model, Agonist Model Score 0.0165 Unitless CCCCC(CC)COP(O)(=O)OCC(CC)CCCC Bis(2-ethylhexyl) phosphate 298-07-7|Bis(2-ethylhexyl) phosphate|1-Hexanol, 2-ethyl-, hydrogen phosphate|2-Ethyl-1-hexanol hydrogen phosphate|BIS-(2-AETHYLHEXYL)-PHOSPHAT|bis(2-ethylhexyl) hydrogen phosphate|Bis(2-ethylhexyl) orthophosphate|Bis(2-ethylhexyl) phosphoric acid|Bis(2-ethylhexyl)hydrogen phosphate|Bis(2-ethylhexyl)hydrogenphosphat|Bis(2-ethylhexyl)orthophosphoric acid|BIS(2-ETHYLHEXYL)PHOSPHATE|BIS(2-ETHYLHEXYL)PHOSPHORIC ACID|Bis(isooctyl)phosphate|BRN 1712988|Dehpa extractant|Di-(2-ethylhexyl) acid phosphate|DI-(2-ETHYLHEXYL)PHOSPHORIC ACID|Di-2-ethylhexyl hydrogen phosphate|Di-2(ethylhexyl)phosphoric acid|Di(2-ethylhexyl) orthophosphoric acid|Di(2-ethylhexyl) phosphate|Di(2-ethylhexyl) phosphoric acid|Di(2-ethylhexyl)orthophosphoric acid|Di(2-ethylhexyl)phosphate|Di(2-ethylhexyl)phosphoric acid|Dioctyl hydrogen phosphate|Dioctyl orthophosphate|Dioctylphosphate|EINECS 206-056-4|hidrogenofosfato de bis(2-etilhexilo)|Hostarex PA 216|Hydrogen bis(2-ethylhexyl) phosphate|Hydrogenophosphate de bis(2-ethylhexyle)|Kyselina di-(2-ethylhexyl)fosforecna|O,O-Bis(2-ethyl|1179814-34-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027134
ARPathway2016 ARPathway2016_147 Bis(2-ethylhexyl) phosphate 298-07-7 DTXSID1027134 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCC(CC)COP(O)(=O)OCC(CC)CCCC Bis(2-ethylhexyl) phosphate 298-07-7|Bis(2-ethylhexyl) phosphate|1-Hexanol, 2-ethyl-, hydrogen phosphate|2-Ethyl-1-hexanol hydrogen phosphate|BIS-(2-AETHYLHEXYL)-PHOSPHAT|bis(2-ethylhexyl) hydrogen phosphate|Bis(2-ethylhexyl) orthophosphate|Bis(2-ethylhexyl) phosphoric acid|Bis(2-ethylhexyl)hydrogen phosphate|Bis(2-ethylhexyl)hydrogenphosphat|Bis(2-ethylhexyl)orthophosphoric acid|BIS(2-ETHYLHEXYL)PHOSPHATE|BIS(2-ETHYLHEXYL)PHOSPHORIC ACID|Bis(isooctyl)phosphate|BRN 1712988|Dehpa extractant|Di-(2-ethylhexyl) acid phosphate|DI-(2-ETHYLHEXYL)PHOSPHORIC ACID|Di-2-ethylhexyl hydrogen phosphate|Di-2(ethylhexyl)phosphoric acid|Di(2-ethylhexyl) orthophosphoric acid|Di(2-ethylhexyl) phosphate|Di(2-ethylhexyl) phosphoric acid|Di(2-ethylhexyl)orthophosphoric acid|Di(2-ethylhexyl)phosphate|Di(2-ethylhexyl)phosphoric acid|Dioctyl hydrogen phosphate|Dioctyl orthophosphate|Dioctylphosphate|EINECS 206-056-4|hidrogenofosfato de bis(2-etilhexilo)|Hostarex PA 216|Hydrogen bis(2-ethylhexyl) phosphate|Hydrogenophosphate de bis(2-ethylhexyle)|Kyselina di-(2-ethylhexyl)fosforecna|O,O-Bis(2-ethyl|1179814-34-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027134
ARPathway2016 ARPathway2016_147 Bis(2-ethylhexyl) phosphate 298-07-7 DTXSID1027134 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COP(O)(=O)OCC(CC)CCCC Bis(2-ethylhexyl) phosphate 298-07-7|Bis(2-ethylhexyl) phosphate|1-Hexanol, 2-ethyl-, hydrogen phosphate|2-Ethyl-1-hexanol hydrogen phosphate|BIS-(2-AETHYLHEXYL)-PHOSPHAT|bis(2-ethylhexyl) hydrogen phosphate|Bis(2-ethylhexyl) orthophosphate|Bis(2-ethylhexyl) phosphoric acid|Bis(2-ethylhexyl)hydrogen phosphate|Bis(2-ethylhexyl)hydrogenphosphat|Bis(2-ethylhexyl)orthophosphoric acid|BIS(2-ETHYLHEXYL)PHOSPHATE|BIS(2-ETHYLHEXYL)PHOSPHORIC ACID|Bis(isooctyl)phosphate|BRN 1712988|Dehpa extractant|Di-(2-ethylhexyl) acid phosphate|DI-(2-ETHYLHEXYL)PHOSPHORIC ACID|Di-2-ethylhexyl hydrogen phosphate|Di-2(ethylhexyl)phosphoric acid|Di(2-ethylhexyl) orthophosphoric acid|Di(2-ethylhexyl) phosphate|Di(2-ethylhexyl) phosphoric acid|Di(2-ethylhexyl)orthophosphoric acid|Di(2-ethylhexyl)phosphate|Di(2-ethylhexyl)phosphoric acid|Dioctyl hydrogen phosphate|Dioctyl orthophosphate|Dioctylphosphate|EINECS 206-056-4|hidrogenofosfato de bis(2-etilhexilo)|Hostarex PA 216|Hydrogen bis(2-ethylhexyl) phosphate|Hydrogenophosphate de bis(2-ethylhexyle)|Kyselina di-(2-ethylhexyl)fosforecna|O,O-Bis(2-ethyl|1179814-34-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027134
ERPathway2016 ERPathway2016_605 Bis(2-ethylhexyl) phosphate 298-07-7 DTXSID1027134 A17 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COP(O)(=O)OCC(CC)CCCC Bis(2-ethylhexyl) phosphate 298-07-7|Bis(2-ethylhexyl) phosphate|1-Hexanol, 2-ethyl-, hydrogen phosphate|2-Ethyl-1-hexanol hydrogen phosphate|BIS-(2-AETHYLHEXYL)-PHOSPHAT|bis(2-ethylhexyl) hydrogen phosphate|Bis(2-ethylhexyl) orthophosphate|Bis(2-ethylhexyl) phosphoric acid|Bis(2-ethylhexyl)hydrogen phosphate|Bis(2-ethylhexyl)hydrogenphosphat|Bis(2-ethylhexyl)orthophosphoric acid|BIS(2-ETHYLHEXYL)PHOSPHATE|BIS(2-ETHYLHEXYL)PHOSPHORIC ACID|Bis(isooctyl)phosphate|BRN 1712988|Dehpa extractant|Di-(2-ethylhexyl) acid phosphate|DI-(2-ETHYLHEXYL)PHOSPHORIC ACID|Di-2-ethylhexyl hydrogen phosphate|Di-2(ethylhexyl)phosphoric acid|Di(2-ethylhexyl) orthophosphoric acid|Di(2-ethylhexyl) phosphate|Di(2-ethylhexyl) phosphoric acid|Di(2-ethylhexyl)orthophosphoric acid|Di(2-ethylhexyl)phosphate|Di(2-ethylhexyl)phosphoric acid|Dioctyl hydrogen phosphate|Dioctyl orthophosphate|Dioctylphosphate|EINECS 206-056-4|hidrogenofosfato de bis(2-etilhexilo)|Hostarex PA 216|Hydrogen bis(2-ethylhexyl) phosphate|Hydrogenophosphate de bis(2-ethylhexyle)|Kyselina di-(2-ethylhexyl)fosforecna|O,O-Bis(2-ethyl|1179814-34-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027134
ERPathway2016 ERPathway2016_605 Bis(2-ethylhexyl) phosphate 298-07-7 DTXSID1027134 A17 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COP(O)(=O)OCC(CC)CCCC Bis(2-ethylhexyl) phosphate 298-07-7|Bis(2-ethylhexyl) phosphate|1-Hexanol, 2-ethyl-, hydrogen phosphate|2-Ethyl-1-hexanol hydrogen phosphate|BIS-(2-AETHYLHEXYL)-PHOSPHAT|bis(2-ethylhexyl) hydrogen phosphate|Bis(2-ethylhexyl) orthophosphate|Bis(2-ethylhexyl) phosphoric acid|Bis(2-ethylhexyl)hydrogen phosphate|Bis(2-ethylhexyl)hydrogenphosphat|Bis(2-ethylhexyl)orthophosphoric acid|BIS(2-ETHYLHEXYL)PHOSPHATE|BIS(2-ETHYLHEXYL)PHOSPHORIC ACID|Bis(isooctyl)phosphate|BRN 1712988|Dehpa extractant|Di-(2-ethylhexyl) acid phosphate|DI-(2-ETHYLHEXYL)PHOSPHORIC ACID|Di-2-ethylhexyl hydrogen phosphate|Di-2(ethylhexyl)phosphoric acid|Di(2-ethylhexyl) orthophosphoric acid|Di(2-ethylhexyl) phosphate|Di(2-ethylhexyl) phosphoric acid|Di(2-ethylhexyl)orthophosphoric acid|Di(2-ethylhexyl)phosphate|Di(2-ethylhexyl)phosphoric acid|Dioctyl hydrogen phosphate|Dioctyl orthophosphate|Dioctylphosphate|EINECS 206-056-4|hidrogenofosfato de bis(2-etilhexilo)|Hostarex PA 216|Hydrogen bis(2-ethylhexyl) phosphate|Hydrogenophosphate de bis(2-ethylhexyle)|Kyselina di-(2-ethylhexyl)fosforecna|O,O-Bis(2-ethyl|1179814-34-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027134
ERPathway2016 ERPathway2016_605 Bis(2-ethylhexyl) phosphate 298-07-7 DTXSID1027134 A17 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COP(O)(=O)OCC(CC)CCCC Bis(2-ethylhexyl) phosphate 298-07-7|Bis(2-ethylhexyl) phosphate|1-Hexanol, 2-ethyl-, hydrogen phosphate|2-Ethyl-1-hexanol hydrogen phosphate|BIS-(2-AETHYLHEXYL)-PHOSPHAT|bis(2-ethylhexyl) hydrogen phosphate|Bis(2-ethylhexyl) orthophosphate|Bis(2-ethylhexyl) phosphoric acid|Bis(2-ethylhexyl)hydrogen phosphate|Bis(2-ethylhexyl)hydrogenphosphat|Bis(2-ethylhexyl)orthophosphoric acid|BIS(2-ETHYLHEXYL)PHOSPHATE|BIS(2-ETHYLHEXYL)PHOSPHORIC ACID|Bis(isooctyl)phosphate|BRN 1712988|Dehpa extractant|Di-(2-ethylhexyl) acid phosphate|DI-(2-ETHYLHEXYL)PHOSPHORIC ACID|Di-2-ethylhexyl hydrogen phosphate|Di-2(ethylhexyl)phosphoric acid|Di(2-ethylhexyl) orthophosphoric acid|Di(2-ethylhexyl) phosphate|Di(2-ethylhexyl) phosphoric acid|Di(2-ethylhexyl)orthophosphoric acid|Di(2-ethylhexyl)phosphate|Di(2-ethylhexyl)phosphoric acid|Dioctyl hydrogen phosphate|Dioctyl orthophosphate|Dioctylphosphate|EINECS 206-056-4|hidrogenofosfato de bis(2-etilhexilo)|Hostarex PA 216|Hydrogen bis(2-ethylhexyl) phosphate|Hydrogenophosphate de bis(2-ethylhexyle)|Kyselina di-(2-ethylhexyl)fosforecna|O,O-Bis(2-ethyl|1179814-34-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027134
ERPathway2016 ERPathway2016_605 Bis(2-ethylhexyl) phosphate 298-07-7 DTXSID1027134 A17 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COP(O)(=O)OCC(CC)CCCC Bis(2-ethylhexyl) phosphate 298-07-7|Bis(2-ethylhexyl) phosphate|1-Hexanol, 2-ethyl-, hydrogen phosphate|2-Ethyl-1-hexanol hydrogen phosphate|BIS-(2-AETHYLHEXYL)-PHOSPHAT|bis(2-ethylhexyl) hydrogen phosphate|Bis(2-ethylhexyl) orthophosphate|Bis(2-ethylhexyl) phosphoric acid|Bis(2-ethylhexyl)hydrogen phosphate|Bis(2-ethylhexyl)hydrogenphosphat|Bis(2-ethylhexyl)orthophosphoric acid|BIS(2-ETHYLHEXYL)PHOSPHATE|BIS(2-ETHYLHEXYL)PHOSPHORIC ACID|Bis(isooctyl)phosphate|BRN 1712988|Dehpa extractant|Di-(2-ethylhexyl) acid phosphate|DI-(2-ETHYLHEXYL)PHOSPHORIC ACID|Di-2-ethylhexyl hydrogen phosphate|Di-2(ethylhexyl)phosphoric acid|Di(2-ethylhexyl) orthophosphoric acid|Di(2-ethylhexyl) phosphate|Di(2-ethylhexyl) phosphoric acid|Di(2-ethylhexyl)orthophosphoric acid|Di(2-ethylhexyl)phosphate|Di(2-ethylhexyl)phosphoric acid|Dioctyl hydrogen phosphate|Dioctyl orthophosphate|Dioctylphosphate|EINECS 206-056-4|hidrogenofosfato de bis(2-etilhexilo)|Hostarex PA 216|Hydrogen bis(2-ethylhexyl) phosphate|Hydrogenophosphate de bis(2-ethylhexyle)|Kyselina di-(2-ethylhexyl)fosforecna|O,O-Bis(2-ethyl|1179814-34-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027134
ARPathway2016 ARPathway2016_1437 Bis(2-ethylhexyl) terephthalate 6422-86-2 DTXSID7027625 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) terephthalate 6422-86-2|Bis(2-ethylhexyl) terephthalate|1,4-Benzenedicarboxylic acid bis(2-ethylhexyl) ester|1,4-Benzenedicarboxylic acid, 1,4-bis(2-ethylhexyl) ester|1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester|229-176-9|Bis(2-ethylhexyl)terephthalat|BRN 2302822|DEHTP|Di-(2-ethylhexyl) terephthalate|Di(2-ethylhexyl) terephthalate|DOTP|Eastman 168|EC No.: 229-176-9|EINECS 229-176-9|Kodaflex DOTP|N-(3-Amino-4-methoxyphenyl)acetamide (1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester)|Palatinol DOTP|tereftalato de bis(2-etilhexilo)|Terephtalate de bis(2-ethylhexyle)|TEREPHTHALATE, BIS(2-ETHYLHEXYL)-|Terephthalic acid, bis(2-ethylhexyl) ester|UNII-4VS908W98L|1173194-29-0|1264916-12-2|1402971-35-0|144981-82-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027625
ARPathway2016 ARPathway2016_1437 Bis(2-ethylhexyl) terephthalate 6422-86-2 DTXSID7027625 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) terephthalate 6422-86-2|Bis(2-ethylhexyl) terephthalate|1,4-Benzenedicarboxylic acid bis(2-ethylhexyl) ester|1,4-Benzenedicarboxylic acid, 1,4-bis(2-ethylhexyl) ester|1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester|229-176-9|Bis(2-ethylhexyl)terephthalat|BRN 2302822|DEHTP|Di-(2-ethylhexyl) terephthalate|Di(2-ethylhexyl) terephthalate|DOTP|Eastman 168|EC No.: 229-176-9|EINECS 229-176-9|Kodaflex DOTP|N-(3-Amino-4-methoxyphenyl)acetamide (1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester)|Palatinol DOTP|tereftalato de bis(2-etilhexilo)|Terephtalate de bis(2-ethylhexyle)|TEREPHTHALATE, BIS(2-ETHYLHEXYL)-|Terephthalic acid, bis(2-ethylhexyl) ester|UNII-4VS908W98L|1173194-29-0|1264916-12-2|1402971-35-0|144981-82-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027625
ARPathway2016 ARPathway2016_1437 Bis(2-ethylhexyl) terephthalate 6422-86-2 DTXSID7027625 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) terephthalate 6422-86-2|Bis(2-ethylhexyl) terephthalate|1,4-Benzenedicarboxylic acid bis(2-ethylhexyl) ester|1,4-Benzenedicarboxylic acid, 1,4-bis(2-ethylhexyl) ester|1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester|229-176-9|Bis(2-ethylhexyl)terephthalat|BRN 2302822|DEHTP|Di-(2-ethylhexyl) terephthalate|Di(2-ethylhexyl) terephthalate|DOTP|Eastman 168|EC No.: 229-176-9|EINECS 229-176-9|Kodaflex DOTP|N-(3-Amino-4-methoxyphenyl)acetamide (1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester)|Palatinol DOTP|tereftalato de bis(2-etilhexilo)|Terephtalate de bis(2-ethylhexyle)|TEREPHTHALATE, BIS(2-ETHYLHEXYL)-|Terephthalic acid, bis(2-ethylhexyl) ester|UNII-4VS908W98L|1173194-29-0|1264916-12-2|1402971-35-0|144981-82-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027625
ARPathway2016 ARPathway2016_1437 Bis(2-ethylhexyl) terephthalate 6422-86-2 DTXSID7027625 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) terephthalate 6422-86-2|Bis(2-ethylhexyl) terephthalate|1,4-Benzenedicarboxylic acid bis(2-ethylhexyl) ester|1,4-Benzenedicarboxylic acid, 1,4-bis(2-ethylhexyl) ester|1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester|229-176-9|Bis(2-ethylhexyl)terephthalat|BRN 2302822|DEHTP|Di-(2-ethylhexyl) terephthalate|Di(2-ethylhexyl) terephthalate|DOTP|Eastman 168|EC No.: 229-176-9|EINECS 229-176-9|Kodaflex DOTP|N-(3-Amino-4-methoxyphenyl)acetamide (1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester)|Palatinol DOTP|tereftalato de bis(2-etilhexilo)|Terephtalate de bis(2-ethylhexyle)|TEREPHTHALATE, BIS(2-ETHYLHEXYL)-|Terephthalic acid, bis(2-ethylhexyl) ester|UNII-4VS908W98L|1173194-29-0|1264916-12-2|1402971-35-0|144981-82-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027625
ERPathway2016 ERPathway2016_1594 Bis(2-ethylhexyl) terephthalate 6422-86-2 DTXSID7027625 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) terephthalate 6422-86-2|Bis(2-ethylhexyl) terephthalate|1,4-Benzenedicarboxylic acid bis(2-ethylhexyl) ester|1,4-Benzenedicarboxylic acid, 1,4-bis(2-ethylhexyl) ester|1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester|229-176-9|Bis(2-ethylhexyl)terephthalat|BRN 2302822|DEHTP|Di-(2-ethylhexyl) terephthalate|Di(2-ethylhexyl) terephthalate|DOTP|Eastman 168|EC No.: 229-176-9|EINECS 229-176-9|Kodaflex DOTP|N-(3-Amino-4-methoxyphenyl)acetamide (1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester)|Palatinol DOTP|tereftalato de bis(2-etilhexilo)|Terephtalate de bis(2-ethylhexyle)|TEREPHTHALATE, BIS(2-ETHYLHEXYL)-|Terephthalic acid, bis(2-ethylhexyl) ester|UNII-4VS908W98L|1173194-29-0|1264916-12-2|1402971-35-0|144981-82-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027625
ERPathway2016 ERPathway2016_1594 Bis(2-ethylhexyl) terephthalate 6422-86-2 DTXSID7027625 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) terephthalate 6422-86-2|Bis(2-ethylhexyl) terephthalate|1,4-Benzenedicarboxylic acid bis(2-ethylhexyl) ester|1,4-Benzenedicarboxylic acid, 1,4-bis(2-ethylhexyl) ester|1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester|229-176-9|Bis(2-ethylhexyl)terephthalat|BRN 2302822|DEHTP|Di-(2-ethylhexyl) terephthalate|Di(2-ethylhexyl) terephthalate|DOTP|Eastman 168|EC No.: 229-176-9|EINECS 229-176-9|Kodaflex DOTP|N-(3-Amino-4-methoxyphenyl)acetamide (1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester)|Palatinol DOTP|tereftalato de bis(2-etilhexilo)|Terephtalate de bis(2-ethylhexyle)|TEREPHTHALATE, BIS(2-ETHYLHEXYL)-|Terephthalic acid, bis(2-ethylhexyl) ester|UNII-4VS908W98L|1173194-29-0|1264916-12-2|1402971-35-0|144981-82-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027625
ERPathway2016 ERPathway2016_1594 Bis(2-ethylhexyl) terephthalate 6422-86-2 DTXSID7027625 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) terephthalate 6422-86-2|Bis(2-ethylhexyl) terephthalate|1,4-Benzenedicarboxylic acid bis(2-ethylhexyl) ester|1,4-Benzenedicarboxylic acid, 1,4-bis(2-ethylhexyl) ester|1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester|229-176-9|Bis(2-ethylhexyl)terephthalat|BRN 2302822|DEHTP|Di-(2-ethylhexyl) terephthalate|Di(2-ethylhexyl) terephthalate|DOTP|Eastman 168|EC No.: 229-176-9|EINECS 229-176-9|Kodaflex DOTP|N-(3-Amino-4-methoxyphenyl)acetamide (1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester)|Palatinol DOTP|tereftalato de bis(2-etilhexilo)|Terephtalate de bis(2-ethylhexyle)|TEREPHTHALATE, BIS(2-ETHYLHEXYL)-|Terephthalic acid, bis(2-ethylhexyl) ester|UNII-4VS908W98L|1173194-29-0|1264916-12-2|1402971-35-0|144981-82-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027625
ERPathway2016 ERPathway2016_1594 Bis(2-ethylhexyl) terephthalate 6422-86-2 DTXSID7027625 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) terephthalate 6422-86-2|Bis(2-ethylhexyl) terephthalate|1,4-Benzenedicarboxylic acid bis(2-ethylhexyl) ester|1,4-Benzenedicarboxylic acid, 1,4-bis(2-ethylhexyl) ester|1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester|229-176-9|Bis(2-ethylhexyl)terephthalat|BRN 2302822|DEHTP|Di-(2-ethylhexyl) terephthalate|Di(2-ethylhexyl) terephthalate|DOTP|Eastman 168|EC No.: 229-176-9|EINECS 229-176-9|Kodaflex DOTP|N-(3-Amino-4-methoxyphenyl)acetamide (1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester)|Palatinol DOTP|tereftalato de bis(2-etilhexilo)|Terephtalate de bis(2-ethylhexyle)|TEREPHTHALATE, BIS(2-ETHYLHEXYL)-|Terephthalic acid, bis(2-ethylhexyl) ester|UNII-4VS908W98L|1173194-29-0|1264916-12-2|1402971-35-0|144981-82-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027625
ARPathway2016 ARPathway2016_1065 Bis(2-ethylhexyl) tetrabromophthalate 26040-51-7 DTXSID7027887 1.0 A9 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=C(Br)C(Br)=C(Br)C(Br)=C1C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) tetrabromophthalate 26040-51-7|Bis(2-ethylhexyl) tetrabromophthalate|1, 2- Benzenedicarboxylic acid, 3, 4, 5, 6- tetrabromo- , 1, 2- bis(2- ethylhexyl) ester|1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, bis(2-ethylhexyl) ester|3,4,5,6-tetrabromobenzene-1,2-dicarboxylate de bis(2-ethyl-hexyle)|BEHTBP|Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1,2-bis(2-ethylhexyl) ester|Bis(2-ethyl-1-hexyl) tetrabromophthalate|Bis(2-ethylhexyl) 2,3,4,5-Tetrabromophthalate|Bis(2-ethylhexyl) 3,4,5,6-tetrabromophthalate (1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, bis(2-ethylhexyl) ester)|bis(2-ethylhexyl) tetrabromophthalate|Bis(2-ethylhexyl)tetrabromphthalat|Di(2-ethylhexyl) tetrabromophthalate|DP 45|EINECS 247-426-5|FRP 45|Phthalic acid, tetrabromo-, bis(2-ethylhexyl) ester|Phthalic acid, tetrabromo-, di(2-ethylhexyl) ester|Pyronil 45|TBPH|tetrabromoftalato de bis(2-etilhexilo)|Tetrabromophtalate de bis(2-ethylhexyle)|TETRABROMOPHTHALATE 2-ETHYLHEXYL ESTER|Tetrabromophthalic acid bis(2-ethylhexyl) ester|Uniplex FRP 45|118817-35-9|119418-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027887 https://doi.org/10.22427/NTP-DATA-DTXSID7027887
ARPathway2016 ARPathway2016_1065 Bis(2-ethylhexyl) tetrabromophthalate 26040-51-7 DTXSID7027887 1.0 A9 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=C(Br)C(Br)=C(Br)C(Br)=C1C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) tetrabromophthalate 26040-51-7|Bis(2-ethylhexyl) tetrabromophthalate|1, 2- Benzenedicarboxylic acid, 3, 4, 5, 6- tetrabromo- , 1, 2- bis(2- ethylhexyl) ester|1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, bis(2-ethylhexyl) ester|3,4,5,6-tetrabromobenzene-1,2-dicarboxylate de bis(2-ethyl-hexyle)|BEHTBP|Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1,2-bis(2-ethylhexyl) ester|Bis(2-ethyl-1-hexyl) tetrabromophthalate|Bis(2-ethylhexyl) 2,3,4,5-Tetrabromophthalate|Bis(2-ethylhexyl) 3,4,5,6-tetrabromophthalate (1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, bis(2-ethylhexyl) ester)|bis(2-ethylhexyl) tetrabromophthalate|Bis(2-ethylhexyl)tetrabromphthalat|Di(2-ethylhexyl) tetrabromophthalate|DP 45|EINECS 247-426-5|FRP 45|Phthalic acid, tetrabromo-, bis(2-ethylhexyl) ester|Phthalic acid, tetrabromo-, di(2-ethylhexyl) ester|Pyronil 45|TBPH|tetrabromoftalato de bis(2-etilhexilo)|Tetrabromophtalate de bis(2-ethylhexyle)|TETRABROMOPHTHALATE 2-ETHYLHEXYL ESTER|Tetrabromophthalic acid bis(2-ethylhexyl) ester|Uniplex FRP 45|118817-35-9|119418-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027887 https://doi.org/10.22427/NTP-DATA-DTXSID7027887
ARPathway2016 ARPathway2016_1065 Bis(2-ethylhexyl) tetrabromophthalate 26040-51-7 DTXSID7027887 1.0 A9 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=C(Br)C(Br)=C(Br)C(Br)=C1C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) tetrabromophthalate 26040-51-7|Bis(2-ethylhexyl) tetrabromophthalate|1, 2- Benzenedicarboxylic acid, 3, 4, 5, 6- tetrabromo- , 1, 2- bis(2- ethylhexyl) ester|1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, bis(2-ethylhexyl) ester|3,4,5,6-tetrabromobenzene-1,2-dicarboxylate de bis(2-ethyl-hexyle)|BEHTBP|Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1,2-bis(2-ethylhexyl) ester|Bis(2-ethyl-1-hexyl) tetrabromophthalate|Bis(2-ethylhexyl) 2,3,4,5-Tetrabromophthalate|Bis(2-ethylhexyl) 3,4,5,6-tetrabromophthalate (1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, bis(2-ethylhexyl) ester)|bis(2-ethylhexyl) tetrabromophthalate|Bis(2-ethylhexyl)tetrabromphthalat|Di(2-ethylhexyl) tetrabromophthalate|DP 45|EINECS 247-426-5|FRP 45|Phthalic acid, tetrabromo-, bis(2-ethylhexyl) ester|Phthalic acid, tetrabromo-, di(2-ethylhexyl) ester|Pyronil 45|TBPH|tetrabromoftalato de bis(2-etilhexilo)|Tetrabromophtalate de bis(2-ethylhexyle)|TETRABROMOPHTHALATE 2-ETHYLHEXYL ESTER|Tetrabromophthalic acid bis(2-ethylhexyl) ester|Uniplex FRP 45|118817-35-9|119418-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027887 https://doi.org/10.22427/NTP-DATA-DTXSID7027887
ARPathway2016 ARPathway2016_1065 Bis(2-ethylhexyl) tetrabromophthalate 26040-51-7 DTXSID7027887 1.0 A9 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=C(Br)C(Br)=C(Br)C(Br)=C1C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) tetrabromophthalate 26040-51-7|Bis(2-ethylhexyl) tetrabromophthalate|1, 2- Benzenedicarboxylic acid, 3, 4, 5, 6- tetrabromo- , 1, 2- bis(2- ethylhexyl) ester|1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, bis(2-ethylhexyl) ester|3,4,5,6-tetrabromobenzene-1,2-dicarboxylate de bis(2-ethyl-hexyle)|BEHTBP|Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1,2-bis(2-ethylhexyl) ester|Bis(2-ethyl-1-hexyl) tetrabromophthalate|Bis(2-ethylhexyl) 2,3,4,5-Tetrabromophthalate|Bis(2-ethylhexyl) 3,4,5,6-tetrabromophthalate (1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, bis(2-ethylhexyl) ester)|bis(2-ethylhexyl) tetrabromophthalate|Bis(2-ethylhexyl)tetrabromphthalat|Di(2-ethylhexyl) tetrabromophthalate|DP 45|EINECS 247-426-5|FRP 45|Phthalic acid, tetrabromo-, bis(2-ethylhexyl) ester|Phthalic acid, tetrabromo-, di(2-ethylhexyl) ester|Pyronil 45|TBPH|tetrabromoftalato de bis(2-etilhexilo)|Tetrabromophtalate de bis(2-ethylhexyle)|TETRABROMOPHTHALATE 2-ETHYLHEXYL ESTER|Tetrabromophthalic acid bis(2-ethylhexyl) ester|Uniplex FRP 45|118817-35-9|119418-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027887 https://doi.org/10.22427/NTP-DATA-DTXSID7027887
ERPathway2016 ERPathway2016_492 Bis(2-ethylhexyl) tetrabromophthalate 26040-51-7 DTXSID7027887 R8 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=C(Br)C(Br)=C(Br)C(Br)=C1C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) tetrabromophthalate 26040-51-7|Bis(2-ethylhexyl) tetrabromophthalate|1, 2- Benzenedicarboxylic acid, 3, 4, 5, 6- tetrabromo- , 1, 2- bis(2- ethylhexyl) ester|1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, bis(2-ethylhexyl) ester|3,4,5,6-tetrabromobenzene-1,2-dicarboxylate de bis(2-ethyl-hexyle)|BEHTBP|Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1,2-bis(2-ethylhexyl) ester|Bis(2-ethyl-1-hexyl) tetrabromophthalate|Bis(2-ethylhexyl) 2,3,4,5-Tetrabromophthalate|Bis(2-ethylhexyl) 3,4,5,6-tetrabromophthalate (1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, bis(2-ethylhexyl) ester)|bis(2-ethylhexyl) tetrabromophthalate|Bis(2-ethylhexyl)tetrabromphthalat|Di(2-ethylhexyl) tetrabromophthalate|DP 45|EINECS 247-426-5|FRP 45|Phthalic acid, tetrabromo-, bis(2-ethylhexyl) ester|Phthalic acid, tetrabromo-, di(2-ethylhexyl) ester|Pyronil 45|TBPH|tetrabromoftalato de bis(2-etilhexilo)|Tetrabromophtalate de bis(2-ethylhexyle)|TETRABROMOPHTHALATE 2-ETHYLHEXYL ESTER|Tetrabromophthalic acid bis(2-ethylhexyl) ester|Uniplex FRP 45|118817-35-9|119418-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027887 https://doi.org/10.22427/NTP-DATA-DTXSID7027887
ERPathway2016 ERPathway2016_492 Bis(2-ethylhexyl) tetrabromophthalate 26040-51-7 DTXSID7027887 R8 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=C(Br)C(Br)=C(Br)C(Br)=C1C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) tetrabromophthalate 26040-51-7|Bis(2-ethylhexyl) tetrabromophthalate|1, 2- Benzenedicarboxylic acid, 3, 4, 5, 6- tetrabromo- , 1, 2- bis(2- ethylhexyl) ester|1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, bis(2-ethylhexyl) ester|3,4,5,6-tetrabromobenzene-1,2-dicarboxylate de bis(2-ethyl-hexyle)|BEHTBP|Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1,2-bis(2-ethylhexyl) ester|Bis(2-ethyl-1-hexyl) tetrabromophthalate|Bis(2-ethylhexyl) 2,3,4,5-Tetrabromophthalate|Bis(2-ethylhexyl) 3,4,5,6-tetrabromophthalate (1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, bis(2-ethylhexyl) ester)|bis(2-ethylhexyl) tetrabromophthalate|Bis(2-ethylhexyl)tetrabromphthalat|Di(2-ethylhexyl) tetrabromophthalate|DP 45|EINECS 247-426-5|FRP 45|Phthalic acid, tetrabromo-, bis(2-ethylhexyl) ester|Phthalic acid, tetrabromo-, di(2-ethylhexyl) ester|Pyronil 45|TBPH|tetrabromoftalato de bis(2-etilhexilo)|Tetrabromophtalate de bis(2-ethylhexyle)|TETRABROMOPHTHALATE 2-ETHYLHEXYL ESTER|Tetrabromophthalic acid bis(2-ethylhexyl) ester|Uniplex FRP 45|118817-35-9|119418-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027887 https://doi.org/10.22427/NTP-DATA-DTXSID7027887
ERPathway2016 ERPathway2016_492 Bis(2-ethylhexyl) tetrabromophthalate 26040-51-7 DTXSID7027887 R8 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=C(Br)C(Br)=C(Br)C(Br)=C1C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) tetrabromophthalate 26040-51-7|Bis(2-ethylhexyl) tetrabromophthalate|1, 2- Benzenedicarboxylic acid, 3, 4, 5, 6- tetrabromo- , 1, 2- bis(2- ethylhexyl) ester|1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, bis(2-ethylhexyl) ester|3,4,5,6-tetrabromobenzene-1,2-dicarboxylate de bis(2-ethyl-hexyle)|BEHTBP|Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1,2-bis(2-ethylhexyl) ester|Bis(2-ethyl-1-hexyl) tetrabromophthalate|Bis(2-ethylhexyl) 2,3,4,5-Tetrabromophthalate|Bis(2-ethylhexyl) 3,4,5,6-tetrabromophthalate (1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, bis(2-ethylhexyl) ester)|bis(2-ethylhexyl) tetrabromophthalate|Bis(2-ethylhexyl)tetrabromphthalat|Di(2-ethylhexyl) tetrabromophthalate|DP 45|EINECS 247-426-5|FRP 45|Phthalic acid, tetrabromo-, bis(2-ethylhexyl) ester|Phthalic acid, tetrabromo-, di(2-ethylhexyl) ester|Pyronil 45|TBPH|tetrabromoftalato de bis(2-etilhexilo)|Tetrabromophtalate de bis(2-ethylhexyle)|TETRABROMOPHTHALATE 2-ETHYLHEXYL ESTER|Tetrabromophthalic acid bis(2-ethylhexyl) ester|Uniplex FRP 45|118817-35-9|119418-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027887 https://doi.org/10.22427/NTP-DATA-DTXSID7027887
ERPathway2016 ERPathway2016_492 Bis(2-ethylhexyl) tetrabromophthalate 26040-51-7 DTXSID7027887 R8 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=C(Br)C(Br)=C(Br)C(Br)=C1C(=O)OCC(CC)CCCC Bis(2-ethylhexyl) tetrabromophthalate 26040-51-7|Bis(2-ethylhexyl) tetrabromophthalate|1, 2- Benzenedicarboxylic acid, 3, 4, 5, 6- tetrabromo- , 1, 2- bis(2- ethylhexyl) ester|1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, bis(2-ethylhexyl) ester|3,4,5,6-tetrabromobenzene-1,2-dicarboxylate de bis(2-ethyl-hexyle)|BEHTBP|Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1,2-bis(2-ethylhexyl) ester|Bis(2-ethyl-1-hexyl) tetrabromophthalate|Bis(2-ethylhexyl) 2,3,4,5-Tetrabromophthalate|Bis(2-ethylhexyl) 3,4,5,6-tetrabromophthalate (1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, bis(2-ethylhexyl) ester)|bis(2-ethylhexyl) tetrabromophthalate|Bis(2-ethylhexyl)tetrabromphthalat|Di(2-ethylhexyl) tetrabromophthalate|DP 45|EINECS 247-426-5|FRP 45|Phthalic acid, tetrabromo-, bis(2-ethylhexyl) ester|Phthalic acid, tetrabromo-, di(2-ethylhexyl) ester|Pyronil 45|TBPH|tetrabromoftalato de bis(2-etilhexilo)|Tetrabromophtalate de bis(2-ethylhexyle)|TETRABROMOPHTHALATE 2-ETHYLHEXYL ESTER|Tetrabromophthalic acid bis(2-ethylhexyl) ester|Uniplex FRP 45|118817-35-9|119418-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027887 https://doi.org/10.22427/NTP-DATA-DTXSID7027887
ARPathway2016 ARPathway2016_434 Bis(2-ethylhexyl)hexanedioate 103-23-1 DTXSID0020606 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl)hexanedioate 103-23-1|Bis(2-ethylhexyl)hexanedioate|Adimoll DO|Adipate de bis(2-ethylhexyle)|ADIPATE, BIS-2-ETHYLHEXYL|ADIPATE, DI (2-ETHYLHEXYL)|ADIPATE, DI-(2-ETHYLHEXYL)|adipato de bis(2-etilhexilo)|adipic acid bis(2-ethylhexyl) ester|Adipic acid, bis(2-ethylhexyl) ester|ADIPINSAEURE-BIS-(2-AETHYLHEXYL)-ESTER|Arlamol DOA|BEHA|Bis-(2-ethylhexyl)ester kyseliny adipove|bis(2-ethylhexyl) adipate|bis(2-ethylhexyl) hexanedioate|Bis(2-ethylhexyl)adipat|BIS(2-ETHYLHEXYL)ADIPATE|Bisoflex DOA|BRN 1803774|Crodamol DOA|DEHA|Dermol DOA|Di-2-Ethylhexyl adipate|Di(2-ethylhexyl) adipate|Di(2-ethylhexyl)adipate|Diacizer DOA|Diethylhexyl adipate|Dioctyl adipate|Effomoll DA|Effomoll DOA|EINECS 203-090-1|Ergoplast AdDO|Flexol A 26|Flexol plasticizer 10-A|Flexol plasticizer A-26|Hatcol 2908|Hexanedioic acid, 1,6-bis(2-ethylhexyl) ester|Hexanedioic acid, bis(2-ethylhexyl) ester|Hexanedioic acid, bis(2-ethylhexyl)ester|Hexanedioic acid, dioctyl ester|Hexanoic acid bis(2-ethylhexyl) ester|Jayflex DOA 2|Kemester 5652|Kodaflex DOA|Lankroflex DOA|Mollan S|Monoplex DOA|Morflex 310|NCI|2093095-12-4|39393-67-4|63637-48-9|70147-21-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020606 https://doi.org/10.22427/NTP-DATA-DTXSID0020606
ARPathway2016 ARPathway2016_434 Bis(2-ethylhexyl)hexanedioate 103-23-1 DTXSID0020606 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl)hexanedioate 103-23-1|Bis(2-ethylhexyl)hexanedioate|Adimoll DO|Adipate de bis(2-ethylhexyle)|ADIPATE, BIS-2-ETHYLHEXYL|ADIPATE, DI (2-ETHYLHEXYL)|ADIPATE, DI-(2-ETHYLHEXYL)|adipato de bis(2-etilhexilo)|adipic acid bis(2-ethylhexyl) ester|Adipic acid, bis(2-ethylhexyl) ester|ADIPINSAEURE-BIS-(2-AETHYLHEXYL)-ESTER|Arlamol DOA|BEHA|Bis-(2-ethylhexyl)ester kyseliny adipove|bis(2-ethylhexyl) adipate|bis(2-ethylhexyl) hexanedioate|Bis(2-ethylhexyl)adipat|BIS(2-ETHYLHEXYL)ADIPATE|Bisoflex DOA|BRN 1803774|Crodamol DOA|DEHA|Dermol DOA|Di-2-Ethylhexyl adipate|Di(2-ethylhexyl) adipate|Di(2-ethylhexyl)adipate|Diacizer DOA|Diethylhexyl adipate|Dioctyl adipate|Effomoll DA|Effomoll DOA|EINECS 203-090-1|Ergoplast AdDO|Flexol A 26|Flexol plasticizer 10-A|Flexol plasticizer A-26|Hatcol 2908|Hexanedioic acid, 1,6-bis(2-ethylhexyl) ester|Hexanedioic acid, bis(2-ethylhexyl) ester|Hexanedioic acid, bis(2-ethylhexyl)ester|Hexanedioic acid, dioctyl ester|Hexanoic acid bis(2-ethylhexyl) ester|Jayflex DOA 2|Kemester 5652|Kodaflex DOA|Lankroflex DOA|Mollan S|Monoplex DOA|Morflex 310|NCI|2093095-12-4|39393-67-4|63637-48-9|70147-21-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020606 https://doi.org/10.22427/NTP-DATA-DTXSID0020606
ARPathway2016 ARPathway2016_434 Bis(2-ethylhexyl)hexanedioate 103-23-1 DTXSID0020606 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl)hexanedioate 103-23-1|Bis(2-ethylhexyl)hexanedioate|Adimoll DO|Adipate de bis(2-ethylhexyle)|ADIPATE, BIS-2-ETHYLHEXYL|ADIPATE, DI (2-ETHYLHEXYL)|ADIPATE, DI-(2-ETHYLHEXYL)|adipato de bis(2-etilhexilo)|adipic acid bis(2-ethylhexyl) ester|Adipic acid, bis(2-ethylhexyl) ester|ADIPINSAEURE-BIS-(2-AETHYLHEXYL)-ESTER|Arlamol DOA|BEHA|Bis-(2-ethylhexyl)ester kyseliny adipove|bis(2-ethylhexyl) adipate|bis(2-ethylhexyl) hexanedioate|Bis(2-ethylhexyl)adipat|BIS(2-ETHYLHEXYL)ADIPATE|Bisoflex DOA|BRN 1803774|Crodamol DOA|DEHA|Dermol DOA|Di-2-Ethylhexyl adipate|Di(2-ethylhexyl) adipate|Di(2-ethylhexyl)adipate|Diacizer DOA|Diethylhexyl adipate|Dioctyl adipate|Effomoll DA|Effomoll DOA|EINECS 203-090-1|Ergoplast AdDO|Flexol A 26|Flexol plasticizer 10-A|Flexol plasticizer A-26|Hatcol 2908|Hexanedioic acid, 1,6-bis(2-ethylhexyl) ester|Hexanedioic acid, bis(2-ethylhexyl) ester|Hexanedioic acid, bis(2-ethylhexyl)ester|Hexanedioic acid, dioctyl ester|Hexanoic acid bis(2-ethylhexyl) ester|Jayflex DOA 2|Kemester 5652|Kodaflex DOA|Lankroflex DOA|Mollan S|Monoplex DOA|Morflex 310|NCI|2093095-12-4|39393-67-4|63637-48-9|70147-21-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020606 https://doi.org/10.22427/NTP-DATA-DTXSID0020606
ARPathway2016 ARPathway2016_434 Bis(2-ethylhexyl)hexanedioate 103-23-1 DTXSID0020606 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl)hexanedioate 103-23-1|Bis(2-ethylhexyl)hexanedioate|Adimoll DO|Adipate de bis(2-ethylhexyle)|ADIPATE, BIS-2-ETHYLHEXYL|ADIPATE, DI (2-ETHYLHEXYL)|ADIPATE, DI-(2-ETHYLHEXYL)|adipato de bis(2-etilhexilo)|adipic acid bis(2-ethylhexyl) ester|Adipic acid, bis(2-ethylhexyl) ester|ADIPINSAEURE-BIS-(2-AETHYLHEXYL)-ESTER|Arlamol DOA|BEHA|Bis-(2-ethylhexyl)ester kyseliny adipove|bis(2-ethylhexyl) adipate|bis(2-ethylhexyl) hexanedioate|Bis(2-ethylhexyl)adipat|BIS(2-ETHYLHEXYL)ADIPATE|Bisoflex DOA|BRN 1803774|Crodamol DOA|DEHA|Dermol DOA|Di-2-Ethylhexyl adipate|Di(2-ethylhexyl) adipate|Di(2-ethylhexyl)adipate|Diacizer DOA|Diethylhexyl adipate|Dioctyl adipate|Effomoll DA|Effomoll DOA|EINECS 203-090-1|Ergoplast AdDO|Flexol A 26|Flexol plasticizer 10-A|Flexol plasticizer A-26|Hatcol 2908|Hexanedioic acid, 1,6-bis(2-ethylhexyl) ester|Hexanedioic acid, bis(2-ethylhexyl) ester|Hexanedioic acid, bis(2-ethylhexyl)ester|Hexanedioic acid, dioctyl ester|Hexanoic acid bis(2-ethylhexyl) ester|Jayflex DOA 2|Kemester 5652|Kodaflex DOA|Lankroflex DOA|Mollan S|Monoplex DOA|Morflex 310|NCI|2093095-12-4|39393-67-4|63637-48-9|70147-21-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020606 https://doi.org/10.22427/NTP-DATA-DTXSID0020606
ERPathway2016 ERPathway2016_1069 Bis(2-ethylhexyl)hexanedioate 103-23-1 DTXSID0020606 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl)hexanedioate 103-23-1|Bis(2-ethylhexyl)hexanedioate|Adimoll DO|Adipate de bis(2-ethylhexyle)|ADIPATE, BIS-2-ETHYLHEXYL|ADIPATE, DI (2-ETHYLHEXYL)|ADIPATE, DI-(2-ETHYLHEXYL)|adipato de bis(2-etilhexilo)|adipic acid bis(2-ethylhexyl) ester|Adipic acid, bis(2-ethylhexyl) ester|ADIPINSAEURE-BIS-(2-AETHYLHEXYL)-ESTER|Arlamol DOA|BEHA|Bis-(2-ethylhexyl)ester kyseliny adipove|bis(2-ethylhexyl) adipate|bis(2-ethylhexyl) hexanedioate|Bis(2-ethylhexyl)adipat|BIS(2-ETHYLHEXYL)ADIPATE|Bisoflex DOA|BRN 1803774|Crodamol DOA|DEHA|Dermol DOA|Di-2-Ethylhexyl adipate|Di(2-ethylhexyl) adipate|Di(2-ethylhexyl)adipate|Diacizer DOA|Diethylhexyl adipate|Dioctyl adipate|Effomoll DA|Effomoll DOA|EINECS 203-090-1|Ergoplast AdDO|Flexol A 26|Flexol plasticizer 10-A|Flexol plasticizer A-26|Hatcol 2908|Hexanedioic acid, 1,6-bis(2-ethylhexyl) ester|Hexanedioic acid, bis(2-ethylhexyl) ester|Hexanedioic acid, bis(2-ethylhexyl)ester|Hexanedioic acid, dioctyl ester|Hexanoic acid bis(2-ethylhexyl) ester|Jayflex DOA 2|Kemester 5652|Kodaflex DOA|Lankroflex DOA|Mollan S|Monoplex DOA|Morflex 310|NCI|2093095-12-4|39393-67-4|63637-48-9|70147-21-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020606 https://doi.org/10.22427/NTP-DATA-DTXSID0020606
ERPathway2016 ERPathway2016_1069 Bis(2-ethylhexyl)hexanedioate 103-23-1 DTXSID0020606 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl)hexanedioate 103-23-1|Bis(2-ethylhexyl)hexanedioate|Adimoll DO|Adipate de bis(2-ethylhexyle)|ADIPATE, BIS-2-ETHYLHEXYL|ADIPATE, DI (2-ETHYLHEXYL)|ADIPATE, DI-(2-ETHYLHEXYL)|adipato de bis(2-etilhexilo)|adipic acid bis(2-ethylhexyl) ester|Adipic acid, bis(2-ethylhexyl) ester|ADIPINSAEURE-BIS-(2-AETHYLHEXYL)-ESTER|Arlamol DOA|BEHA|Bis-(2-ethylhexyl)ester kyseliny adipove|bis(2-ethylhexyl) adipate|bis(2-ethylhexyl) hexanedioate|Bis(2-ethylhexyl)adipat|BIS(2-ETHYLHEXYL)ADIPATE|Bisoflex DOA|BRN 1803774|Crodamol DOA|DEHA|Dermol DOA|Di-2-Ethylhexyl adipate|Di(2-ethylhexyl) adipate|Di(2-ethylhexyl)adipate|Diacizer DOA|Diethylhexyl adipate|Dioctyl adipate|Effomoll DA|Effomoll DOA|EINECS 203-090-1|Ergoplast AdDO|Flexol A 26|Flexol plasticizer 10-A|Flexol plasticizer A-26|Hatcol 2908|Hexanedioic acid, 1,6-bis(2-ethylhexyl) ester|Hexanedioic acid, bis(2-ethylhexyl) ester|Hexanedioic acid, bis(2-ethylhexyl)ester|Hexanedioic acid, dioctyl ester|Hexanoic acid bis(2-ethylhexyl) ester|Jayflex DOA 2|Kemester 5652|Kodaflex DOA|Lankroflex DOA|Mollan S|Monoplex DOA|Morflex 310|NCI|2093095-12-4|39393-67-4|63637-48-9|70147-21-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020606 https://doi.org/10.22427/NTP-DATA-DTXSID0020606
ERPathway2016 ERPathway2016_1069 Bis(2-ethylhexyl)hexanedioate 103-23-1 DTXSID0020606 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl)hexanedioate 103-23-1|Bis(2-ethylhexyl)hexanedioate|Adimoll DO|Adipate de bis(2-ethylhexyle)|ADIPATE, BIS-2-ETHYLHEXYL|ADIPATE, DI (2-ETHYLHEXYL)|ADIPATE, DI-(2-ETHYLHEXYL)|adipato de bis(2-etilhexilo)|adipic acid bis(2-ethylhexyl) ester|Adipic acid, bis(2-ethylhexyl) ester|ADIPINSAEURE-BIS-(2-AETHYLHEXYL)-ESTER|Arlamol DOA|BEHA|Bis-(2-ethylhexyl)ester kyseliny adipove|bis(2-ethylhexyl) adipate|bis(2-ethylhexyl) hexanedioate|Bis(2-ethylhexyl)adipat|BIS(2-ETHYLHEXYL)ADIPATE|Bisoflex DOA|BRN 1803774|Crodamol DOA|DEHA|Dermol DOA|Di-2-Ethylhexyl adipate|Di(2-ethylhexyl) adipate|Di(2-ethylhexyl)adipate|Diacizer DOA|Diethylhexyl adipate|Dioctyl adipate|Effomoll DA|Effomoll DOA|EINECS 203-090-1|Ergoplast AdDO|Flexol A 26|Flexol plasticizer 10-A|Flexol plasticizer A-26|Hatcol 2908|Hexanedioic acid, 1,6-bis(2-ethylhexyl) ester|Hexanedioic acid, bis(2-ethylhexyl) ester|Hexanedioic acid, bis(2-ethylhexyl)ester|Hexanedioic acid, dioctyl ester|Hexanoic acid bis(2-ethylhexyl) ester|Jayflex DOA 2|Kemester 5652|Kodaflex DOA|Lankroflex DOA|Mollan S|Monoplex DOA|Morflex 310|NCI|2093095-12-4|39393-67-4|63637-48-9|70147-21-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020606 https://doi.org/10.22427/NTP-DATA-DTXSID0020606
ERPathway2016 ERPathway2016_1069 Bis(2-ethylhexyl)hexanedioate 103-23-1 DTXSID0020606 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC Bis(2-ethylhexyl)hexanedioate 103-23-1|Bis(2-ethylhexyl)hexanedioate|Adimoll DO|Adipate de bis(2-ethylhexyle)|ADIPATE, BIS-2-ETHYLHEXYL|ADIPATE, DI (2-ETHYLHEXYL)|ADIPATE, DI-(2-ETHYLHEXYL)|adipato de bis(2-etilhexilo)|adipic acid bis(2-ethylhexyl) ester|Adipic acid, bis(2-ethylhexyl) ester|ADIPINSAEURE-BIS-(2-AETHYLHEXYL)-ESTER|Arlamol DOA|BEHA|Bis-(2-ethylhexyl)ester kyseliny adipove|bis(2-ethylhexyl) adipate|bis(2-ethylhexyl) hexanedioate|Bis(2-ethylhexyl)adipat|BIS(2-ETHYLHEXYL)ADIPATE|Bisoflex DOA|BRN 1803774|Crodamol DOA|DEHA|Dermol DOA|Di-2-Ethylhexyl adipate|Di(2-ethylhexyl) adipate|Di(2-ethylhexyl)adipate|Diacizer DOA|Diethylhexyl adipate|Dioctyl adipate|Effomoll DA|Effomoll DOA|EINECS 203-090-1|Ergoplast AdDO|Flexol A 26|Flexol plasticizer 10-A|Flexol plasticizer A-26|Hatcol 2908|Hexanedioic acid, 1,6-bis(2-ethylhexyl) ester|Hexanedioic acid, bis(2-ethylhexyl) ester|Hexanedioic acid, bis(2-ethylhexyl)ester|Hexanedioic acid, dioctyl ester|Hexanoic acid bis(2-ethylhexyl) ester|Jayflex DOA 2|Kemester 5652|Kodaflex DOA|Lankroflex DOA|Mollan S|Monoplex DOA|Morflex 310|NCI|2093095-12-4|39393-67-4|63637-48-9|70147-21-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020606 https://doi.org/10.22427/NTP-DATA-DTXSID0020606
ARPathway2016 ARPathway2016_310 Bis(4-(dimethylamino)phenyl)methanone 90-94-8 DTXSID2020894 1.0 Antagonist AR Pathway Model, Agonist AC50 1.17880513391425 uM CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C Bis(4-(dimethylamino)phenyl)methanone 90-94-8|Bis(4-(dimethylamino)phenyl)methanone|202-027-5|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenon|4,4'-bis(dimethylamino)benzophenone|4,4'-bis(dimetilamino)benzofenona|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|BENZOPHENONE, 4,4'-BIS(DIMETHYLAMINO)-|Benzophenone, 4,4'-bis(dimethylamino)-|Bis(4-dimethylaminophenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl)ketone|Bis[(4-dimethylamino)phenyl]methanone|Bis[4-(dimethylamino)phenyl]methanone|Bis[p-(N,N-dimethylamino)phenyl] ketone|DABP|Di(p-dimethylamino)benzophenone|EC No.: 202-027-5|EINECS 202-027-5|Methanone, bis[4-(dimethylamino)phenyl]-|Michler ketone|Michler's ketone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|NCI-C02006|Nisso Cure MABP|NSC 9602|p,p'-Bis(|1817604-20-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020894 https://doi.org/10.22427/NTP-DATA-DTXSID2020894
ARPathway2016 ARPathway2016_310 Bis(4-(dimethylamino)phenyl)methanone 90-94-8 DTXSID2020894 1.0 Antagonist AR Pathway Model, Agonist ACC 4.62770102015816 uM CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C Bis(4-(dimethylamino)phenyl)methanone 90-94-8|Bis(4-(dimethylamino)phenyl)methanone|202-027-5|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenon|4,4'-bis(dimethylamino)benzophenone|4,4'-bis(dimetilamino)benzofenona|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|BENZOPHENONE, 4,4'-BIS(DIMETHYLAMINO)-|Benzophenone, 4,4'-bis(dimethylamino)-|Bis(4-dimethylaminophenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl)ketone|Bis[(4-dimethylamino)phenyl]methanone|Bis[4-(dimethylamino)phenyl]methanone|Bis[p-(N,N-dimethylamino)phenyl] ketone|DABP|Di(p-dimethylamino)benzophenone|EC No.: 202-027-5|EINECS 202-027-5|Methanone, bis[4-(dimethylamino)phenyl]-|Michler ketone|Michler's ketone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|NCI-C02006|Nisso Cure MABP|NSC 9602|p,p'-Bis(|1817604-20-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020894 https://doi.org/10.22427/NTP-DATA-DTXSID2020894
ARPathway2016 ARPathway2016_310 Bis(4-(dimethylamino)phenyl)methanone 90-94-8 DTXSID2020894 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0866 Unitless CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C Bis(4-(dimethylamino)phenyl)methanone 90-94-8|Bis(4-(dimethylamino)phenyl)methanone|202-027-5|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenon|4,4'-bis(dimethylamino)benzophenone|4,4'-bis(dimetilamino)benzofenona|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|BENZOPHENONE, 4,4'-BIS(DIMETHYLAMINO)-|Benzophenone, 4,4'-bis(dimethylamino)-|Bis(4-dimethylaminophenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl)ketone|Bis[(4-dimethylamino)phenyl]methanone|Bis[4-(dimethylamino)phenyl]methanone|Bis[p-(N,N-dimethylamino)phenyl] ketone|DABP|Di(p-dimethylamino)benzophenone|EC No.: 202-027-5|EINECS 202-027-5|Methanone, bis[4-(dimethylamino)phenyl]-|Michler ketone|Michler's ketone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|NCI-C02006|Nisso Cure MABP|NSC 9602|p,p'-Bis(|1817604-20-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020894 https://doi.org/10.22427/NTP-DATA-DTXSID2020894
ARPathway2016 ARPathway2016_310 Bis(4-(dimethylamino)phenyl)methanone 90-94-8 DTXSID2020894 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C Bis(4-(dimethylamino)phenyl)methanone 90-94-8|Bis(4-(dimethylamino)phenyl)methanone|202-027-5|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenon|4,4'-bis(dimethylamino)benzophenone|4,4'-bis(dimetilamino)benzofenona|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|BENZOPHENONE, 4,4'-BIS(DIMETHYLAMINO)-|Benzophenone, 4,4'-bis(dimethylamino)-|Bis(4-dimethylaminophenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl)ketone|Bis[(4-dimethylamino)phenyl]methanone|Bis[4-(dimethylamino)phenyl]methanone|Bis[p-(N,N-dimethylamino)phenyl] ketone|DABP|Di(p-dimethylamino)benzophenone|EC No.: 202-027-5|EINECS 202-027-5|Methanone, bis[4-(dimethylamino)phenyl]-|Michler ketone|Michler's ketone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|NCI-C02006|Nisso Cure MABP|NSC 9602|p,p'-Bis(|1817604-20-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020894 https://doi.org/10.22427/NTP-DATA-DTXSID2020894
ARPathway2016 ARPathway2016_310 Bis(4-(dimethylamino)phenyl)methanone 90-94-8 DTXSID2020894 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C Bis(4-(dimethylamino)phenyl)methanone 90-94-8|Bis(4-(dimethylamino)phenyl)methanone|202-027-5|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenon|4,4'-bis(dimethylamino)benzophenone|4,4'-bis(dimetilamino)benzofenona|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|BENZOPHENONE, 4,4'-BIS(DIMETHYLAMINO)-|Benzophenone, 4,4'-bis(dimethylamino)-|Bis(4-dimethylaminophenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl)ketone|Bis[(4-dimethylamino)phenyl]methanone|Bis[4-(dimethylamino)phenyl]methanone|Bis[p-(N,N-dimethylamino)phenyl] ketone|DABP|Di(p-dimethylamino)benzophenone|EC No.: 202-027-5|EINECS 202-027-5|Methanone, bis[4-(dimethylamino)phenyl]-|Michler ketone|Michler's ketone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|NCI-C02006|Nisso Cure MABP|NSC 9602|p,p'-Bis(|1817604-20-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020894 https://doi.org/10.22427/NTP-DATA-DTXSID2020894
ARPathway2016 ARPathway2016_310 Bis(4-(dimethylamino)phenyl)methanone 90-94-8 DTXSID2020894 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C Bis(4-(dimethylamino)phenyl)methanone 90-94-8|Bis(4-(dimethylamino)phenyl)methanone|202-027-5|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenon|4,4'-bis(dimethylamino)benzophenone|4,4'-bis(dimetilamino)benzofenona|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|BENZOPHENONE, 4,4'-BIS(DIMETHYLAMINO)-|Benzophenone, 4,4'-bis(dimethylamino)-|Bis(4-dimethylaminophenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl)ketone|Bis[(4-dimethylamino)phenyl]methanone|Bis[4-(dimethylamino)phenyl]methanone|Bis[p-(N,N-dimethylamino)phenyl] ketone|DABP|Di(p-dimethylamino)benzophenone|EC No.: 202-027-5|EINECS 202-027-5|Methanone, bis[4-(dimethylamino)phenyl]-|Michler ketone|Michler's ketone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|NCI-C02006|Nisso Cure MABP|NSC 9602|p,p'-Bis(|1817604-20-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020894 https://doi.org/10.22427/NTP-DATA-DTXSID2020894
ERPathway2016 ERPathway2016_660 Bis(4-(dimethylamino)phenyl)methanone 90-94-8 DTXSID2020894 A17 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C Bis(4-(dimethylamino)phenyl)methanone 90-94-8|Bis(4-(dimethylamino)phenyl)methanone|202-027-5|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenon|4,4'-bis(dimethylamino)benzophenone|4,4'-bis(dimetilamino)benzofenona|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|BENZOPHENONE, 4,4'-BIS(DIMETHYLAMINO)-|Benzophenone, 4,4'-bis(dimethylamino)-|Bis(4-dimethylaminophenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl)ketone|Bis[(4-dimethylamino)phenyl]methanone|Bis[4-(dimethylamino)phenyl]methanone|Bis[p-(N,N-dimethylamino)phenyl] ketone|DABP|Di(p-dimethylamino)benzophenone|EC No.: 202-027-5|EINECS 202-027-5|Methanone, bis[4-(dimethylamino)phenyl]-|Michler ketone|Michler's ketone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|NCI-C02006|Nisso Cure MABP|NSC 9602|p,p'-Bis(|1817604-20-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020894 https://doi.org/10.22427/NTP-DATA-DTXSID2020894
ERPathway2016 ERPathway2016_660 Bis(4-(dimethylamino)phenyl)methanone 90-94-8 DTXSID2020894 A17 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C Bis(4-(dimethylamino)phenyl)methanone 90-94-8|Bis(4-(dimethylamino)phenyl)methanone|202-027-5|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenon|4,4'-bis(dimethylamino)benzophenone|4,4'-bis(dimetilamino)benzofenona|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|BENZOPHENONE, 4,4'-BIS(DIMETHYLAMINO)-|Benzophenone, 4,4'-bis(dimethylamino)-|Bis(4-dimethylaminophenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl)ketone|Bis[(4-dimethylamino)phenyl]methanone|Bis[4-(dimethylamino)phenyl]methanone|Bis[p-(N,N-dimethylamino)phenyl] ketone|DABP|Di(p-dimethylamino)benzophenone|EC No.: 202-027-5|EINECS 202-027-5|Methanone, bis[4-(dimethylamino)phenyl]-|Michler ketone|Michler's ketone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|NCI-C02006|Nisso Cure MABP|NSC 9602|p,p'-Bis(|1817604-20-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020894 https://doi.org/10.22427/NTP-DATA-DTXSID2020894
ERPathway2016 ERPathway2016_660 Bis(4-(dimethylamino)phenyl)methanone 90-94-8 DTXSID2020894 A17 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C Bis(4-(dimethylamino)phenyl)methanone 90-94-8|Bis(4-(dimethylamino)phenyl)methanone|202-027-5|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenon|4,4'-bis(dimethylamino)benzophenone|4,4'-bis(dimetilamino)benzofenona|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|BENZOPHENONE, 4,4'-BIS(DIMETHYLAMINO)-|Benzophenone, 4,4'-bis(dimethylamino)-|Bis(4-dimethylaminophenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl)ketone|Bis[(4-dimethylamino)phenyl]methanone|Bis[4-(dimethylamino)phenyl]methanone|Bis[p-(N,N-dimethylamino)phenyl] ketone|DABP|Di(p-dimethylamino)benzophenone|EC No.: 202-027-5|EINECS 202-027-5|Methanone, bis[4-(dimethylamino)phenyl]-|Michler ketone|Michler's ketone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|NCI-C02006|Nisso Cure MABP|NSC 9602|p,p'-Bis(|1817604-20-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020894 https://doi.org/10.22427/NTP-DATA-DTXSID2020894
ERPathway2016 ERPathway2016_660 Bis(4-(dimethylamino)phenyl)methanone 90-94-8 DTXSID2020894 A17 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C Bis(4-(dimethylamino)phenyl)methanone 90-94-8|Bis(4-(dimethylamino)phenyl)methanone|202-027-5|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenon|4,4'-bis(dimethylamino)benzophenone|4,4'-bis(dimetilamino)benzofenona|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis (dimethylamino) benzophenone|4,4'-Bis(dimethylamino)benzophenone|4,4'-Bis(N,N-dimethylamino)benzophenone|4,4'-Tetramethyldiaminobenzophenone|BENZOPHENONE, 4,4'-BIS(DIMETHYLAMINO)-|Benzophenone, 4,4'-bis(dimethylamino)-|Bis(4-dimethylaminophenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl) ketone|Bis(p-(N,N-dimethylamino)phenyl)ketone|Bis[(4-dimethylamino)phenyl]methanone|Bis[4-(dimethylamino)phenyl]methanone|Bis[p-(N,N-dimethylamino)phenyl] ketone|DABP|Di(p-dimethylamino)benzophenone|EC No.: 202-027-5|EINECS 202-027-5|Methanone, bis[4-(dimethylamino)phenyl]-|Michler ketone|Michler's ketone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|N,N,N',N'-Tetramethyl-4,4'-diaminobenzophenone|NCI-C02006|Nisso Cure MABP|NSC 9602|p,p'-Bis(|1817604-20-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020894 https://doi.org/10.22427/NTP-DATA-DTXSID2020894
ARPathway2016 ARPathway2016_568 Bis(chloroethyl) ether 111-44-4 DTXSID9020168 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClCCOCCCl Bis(chloroethyl) ether 111-44-4|Bis(chloroethyl) ether|1-Chloro-2-(2-chloroethoxy)ethane|1-Chloro-2-(beta-chloroethoxy)ethane|1-Chloro-2-(b-chloroethoxy)ethane|1,1'-Oxybis(2-chloro)ethane|1,1'-Oxybis[2-chloroethane]|1,5-Dichloro-3-oxapentane|2-(2-Chloroethoxy)ethyl chloride|2-Chloroethyl ether|2,2'-Dichloorethylether|2,2'-Dichlor-diaethylaether|2,2'-DICHLORDIAETHYLAETHER|2,2'-Dichlorethyl ether|2,2'-Dichlorodiethyl ether|2,2'-Dichloroethyl ether|2,2'-Dicloroetiletere|BCEE|beta,beta-Dichlorodiethyl ether|Bis (chloroethyl) ether|Bis(2-chlorethyl)ether|Bis(2-chloroethyl) ether|Bis(2-chloroethyl)ether|bis(2-cloroetil) eter|Bis(beta-chloroethyl) ether|Bis(chloro-2-ethyl) oxide|Bis(b-chloroethyl) ether|BRN 0605317|Caswell No. 309|Chlorex|Chloroethyl ether|Di-2-chloroethyl ether|Di(2-chloroethyl) ether|Di(beta-chloroethyl)ether|Di(b-Chloroethyl) ether|Dichloroether|Dichloroethyl ether|Dichloroethyl oxide|Diethylene glycol dichloride|Dwuchlorodwuetylowy eter|EINECS 203-870-1|EPA Pesticide Chemical Code 029501|Ethane, 1,1'-oxybis[2-chloro-|Ether dichlore|Ether, bis(2-c|92091-28-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020168 https://doi.org/10.22427/NTP-DATA-DTXSID9020168
ARPathway2016 ARPathway2016_568 Bis(chloroethyl) ether 111-44-4 DTXSID9020168 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClCCOCCCl Bis(chloroethyl) ether 111-44-4|Bis(chloroethyl) ether|1-Chloro-2-(2-chloroethoxy)ethane|1-Chloro-2-(beta-chloroethoxy)ethane|1-Chloro-2-(b-chloroethoxy)ethane|1,1'-Oxybis(2-chloro)ethane|1,1'-Oxybis[2-chloroethane]|1,5-Dichloro-3-oxapentane|2-(2-Chloroethoxy)ethyl chloride|2-Chloroethyl ether|2,2'-Dichloorethylether|2,2'-Dichlor-diaethylaether|2,2'-DICHLORDIAETHYLAETHER|2,2'-Dichlorethyl ether|2,2'-Dichlorodiethyl ether|2,2'-Dichloroethyl ether|2,2'-Dicloroetiletere|BCEE|beta,beta-Dichlorodiethyl ether|Bis (chloroethyl) ether|Bis(2-chlorethyl)ether|Bis(2-chloroethyl) ether|Bis(2-chloroethyl)ether|bis(2-cloroetil) eter|Bis(beta-chloroethyl) ether|Bis(chloro-2-ethyl) oxide|Bis(b-chloroethyl) ether|BRN 0605317|Caswell No. 309|Chlorex|Chloroethyl ether|Di-2-chloroethyl ether|Di(2-chloroethyl) ether|Di(beta-chloroethyl)ether|Di(b-Chloroethyl) ether|Dichloroether|Dichloroethyl ether|Dichloroethyl oxide|Diethylene glycol dichloride|Dwuchlorodwuetylowy eter|EINECS 203-870-1|EPA Pesticide Chemical Code 029501|Ethane, 1,1'-oxybis[2-chloro-|Ether dichlore|Ether, bis(2-c|92091-28-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020168 https://doi.org/10.22427/NTP-DATA-DTXSID9020168
ARPathway2016 ARPathway2016_568 Bis(chloroethyl) ether 111-44-4 DTXSID9020168 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClCCOCCCl Bis(chloroethyl) ether 111-44-4|Bis(chloroethyl) ether|1-Chloro-2-(2-chloroethoxy)ethane|1-Chloro-2-(beta-chloroethoxy)ethane|1-Chloro-2-(b-chloroethoxy)ethane|1,1'-Oxybis(2-chloro)ethane|1,1'-Oxybis[2-chloroethane]|1,5-Dichloro-3-oxapentane|2-(2-Chloroethoxy)ethyl chloride|2-Chloroethyl ether|2,2'-Dichloorethylether|2,2'-Dichlor-diaethylaether|2,2'-DICHLORDIAETHYLAETHER|2,2'-Dichlorethyl ether|2,2'-Dichlorodiethyl ether|2,2'-Dichloroethyl ether|2,2'-Dicloroetiletere|BCEE|beta,beta-Dichlorodiethyl ether|Bis (chloroethyl) ether|Bis(2-chlorethyl)ether|Bis(2-chloroethyl) ether|Bis(2-chloroethyl)ether|bis(2-cloroetil) eter|Bis(beta-chloroethyl) ether|Bis(chloro-2-ethyl) oxide|Bis(b-chloroethyl) ether|BRN 0605317|Caswell No. 309|Chlorex|Chloroethyl ether|Di-2-chloroethyl ether|Di(2-chloroethyl) ether|Di(beta-chloroethyl)ether|Di(b-Chloroethyl) ether|Dichloroether|Dichloroethyl ether|Dichloroethyl oxide|Diethylene glycol dichloride|Dwuchlorodwuetylowy eter|EINECS 203-870-1|EPA Pesticide Chemical Code 029501|Ethane, 1,1'-oxybis[2-chloro-|Ether dichlore|Ether, bis(2-c|92091-28-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020168 https://doi.org/10.22427/NTP-DATA-DTXSID9020168
ARPathway2016 ARPathway2016_568 Bis(chloroethyl) ether 111-44-4 DTXSID9020168 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClCCOCCCl Bis(chloroethyl) ether 111-44-4|Bis(chloroethyl) ether|1-Chloro-2-(2-chloroethoxy)ethane|1-Chloro-2-(beta-chloroethoxy)ethane|1-Chloro-2-(b-chloroethoxy)ethane|1,1'-Oxybis(2-chloro)ethane|1,1'-Oxybis[2-chloroethane]|1,5-Dichloro-3-oxapentane|2-(2-Chloroethoxy)ethyl chloride|2-Chloroethyl ether|2,2'-Dichloorethylether|2,2'-Dichlor-diaethylaether|2,2'-DICHLORDIAETHYLAETHER|2,2'-Dichlorethyl ether|2,2'-Dichlorodiethyl ether|2,2'-Dichloroethyl ether|2,2'-Dicloroetiletere|BCEE|beta,beta-Dichlorodiethyl ether|Bis (chloroethyl) ether|Bis(2-chlorethyl)ether|Bis(2-chloroethyl) ether|Bis(2-chloroethyl)ether|bis(2-cloroetil) eter|Bis(beta-chloroethyl) ether|Bis(chloro-2-ethyl) oxide|Bis(b-chloroethyl) ether|BRN 0605317|Caswell No. 309|Chlorex|Chloroethyl ether|Di-2-chloroethyl ether|Di(2-chloroethyl) ether|Di(beta-chloroethyl)ether|Di(b-Chloroethyl) ether|Dichloroether|Dichloroethyl ether|Dichloroethyl oxide|Diethylene glycol dichloride|Dwuchlorodwuetylowy eter|EINECS 203-870-1|EPA Pesticide Chemical Code 029501|Ethane, 1,1'-oxybis[2-chloro-|Ether dichlore|Ether, bis(2-c|92091-28-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020168 https://doi.org/10.22427/NTP-DATA-DTXSID9020168
ERPathway2016 ERPathway2016_730 Bis(chloroethyl) ether 111-44-4 DTXSID9020168 A13 ER Pathway Model, Agonist Model Score 0 Unitless ClCCOCCCl Bis(chloroethyl) ether 111-44-4|Bis(chloroethyl) ether|1-Chloro-2-(2-chloroethoxy)ethane|1-Chloro-2-(beta-chloroethoxy)ethane|1-Chloro-2-(b-chloroethoxy)ethane|1,1'-Oxybis(2-chloro)ethane|1,1'-Oxybis[2-chloroethane]|1,5-Dichloro-3-oxapentane|2-(2-Chloroethoxy)ethyl chloride|2-Chloroethyl ether|2,2'-Dichloorethylether|2,2'-Dichlor-diaethylaether|2,2'-DICHLORDIAETHYLAETHER|2,2'-Dichlorethyl ether|2,2'-Dichlorodiethyl ether|2,2'-Dichloroethyl ether|2,2'-Dicloroetiletere|BCEE|beta,beta-Dichlorodiethyl ether|Bis (chloroethyl) ether|Bis(2-chlorethyl)ether|Bis(2-chloroethyl) ether|Bis(2-chloroethyl)ether|bis(2-cloroetil) eter|Bis(beta-chloroethyl) ether|Bis(chloro-2-ethyl) oxide|Bis(b-chloroethyl) ether|BRN 0605317|Caswell No. 309|Chlorex|Chloroethyl ether|Di-2-chloroethyl ether|Di(2-chloroethyl) ether|Di(beta-chloroethyl)ether|Di(b-Chloroethyl) ether|Dichloroether|Dichloroethyl ether|Dichloroethyl oxide|Diethylene glycol dichloride|Dwuchlorodwuetylowy eter|EINECS 203-870-1|EPA Pesticide Chemical Code 029501|Ethane, 1,1'-oxybis[2-chloro-|Ether dichlore|Ether, bis(2-c|92091-28-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020168 https://doi.org/10.22427/NTP-DATA-DTXSID9020168
ERPathway2016 ERPathway2016_730 Bis(chloroethyl) ether 111-44-4 DTXSID9020168 A13 ER Pathway Model, Antagonist Model Score 0 Unitless ClCCOCCCl Bis(chloroethyl) ether 111-44-4|Bis(chloroethyl) ether|1-Chloro-2-(2-chloroethoxy)ethane|1-Chloro-2-(beta-chloroethoxy)ethane|1-Chloro-2-(b-chloroethoxy)ethane|1,1'-Oxybis(2-chloro)ethane|1,1'-Oxybis[2-chloroethane]|1,5-Dichloro-3-oxapentane|2-(2-Chloroethoxy)ethyl chloride|2-Chloroethyl ether|2,2'-Dichloorethylether|2,2'-Dichlor-diaethylaether|2,2'-DICHLORDIAETHYLAETHER|2,2'-Dichlorethyl ether|2,2'-Dichlorodiethyl ether|2,2'-Dichloroethyl ether|2,2'-Dicloroetiletere|BCEE|beta,beta-Dichlorodiethyl ether|Bis (chloroethyl) ether|Bis(2-chlorethyl)ether|Bis(2-chloroethyl) ether|Bis(2-chloroethyl)ether|bis(2-cloroetil) eter|Bis(beta-chloroethyl) ether|Bis(chloro-2-ethyl) oxide|Bis(b-chloroethyl) ether|BRN 0605317|Caswell No. 309|Chlorex|Chloroethyl ether|Di-2-chloroethyl ether|Di(2-chloroethyl) ether|Di(beta-chloroethyl)ether|Di(b-Chloroethyl) ether|Dichloroether|Dichloroethyl ether|Dichloroethyl oxide|Diethylene glycol dichloride|Dwuchlorodwuetylowy eter|EINECS 203-870-1|EPA Pesticide Chemical Code 029501|Ethane, 1,1'-oxybis[2-chloro-|Ether dichlore|Ether, bis(2-c|92091-28-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020168 https://doi.org/10.22427/NTP-DATA-DTXSID9020168
ERPathway2016 ERPathway2016_730 Bis(chloroethyl) ether 111-44-4 DTXSID9020168 A13 ER Pathway Model, Agonist Call Inactive Unitless ClCCOCCCl Bis(chloroethyl) ether 111-44-4|Bis(chloroethyl) ether|1-Chloro-2-(2-chloroethoxy)ethane|1-Chloro-2-(beta-chloroethoxy)ethane|1-Chloro-2-(b-chloroethoxy)ethane|1,1'-Oxybis(2-chloro)ethane|1,1'-Oxybis[2-chloroethane]|1,5-Dichloro-3-oxapentane|2-(2-Chloroethoxy)ethyl chloride|2-Chloroethyl ether|2,2'-Dichloorethylether|2,2'-Dichlor-diaethylaether|2,2'-DICHLORDIAETHYLAETHER|2,2'-Dichlorethyl ether|2,2'-Dichlorodiethyl ether|2,2'-Dichloroethyl ether|2,2'-Dicloroetiletere|BCEE|beta,beta-Dichlorodiethyl ether|Bis (chloroethyl) ether|Bis(2-chlorethyl)ether|Bis(2-chloroethyl) ether|Bis(2-chloroethyl)ether|bis(2-cloroetil) eter|Bis(beta-chloroethyl) ether|Bis(chloro-2-ethyl) oxide|Bis(b-chloroethyl) ether|BRN 0605317|Caswell No. 309|Chlorex|Chloroethyl ether|Di-2-chloroethyl ether|Di(2-chloroethyl) ether|Di(beta-chloroethyl)ether|Di(b-Chloroethyl) ether|Dichloroether|Dichloroethyl ether|Dichloroethyl oxide|Diethylene glycol dichloride|Dwuchlorodwuetylowy eter|EINECS 203-870-1|EPA Pesticide Chemical Code 029501|Ethane, 1,1'-oxybis[2-chloro-|Ether dichlore|Ether, bis(2-c|92091-28-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020168 https://doi.org/10.22427/NTP-DATA-DTXSID9020168
ERPathway2016 ERPathway2016_730 Bis(chloroethyl) ether 111-44-4 DTXSID9020168 A13 ER Pathway Model, Antagonist Call Inactive Unitless ClCCOCCCl Bis(chloroethyl) ether 111-44-4|Bis(chloroethyl) ether|1-Chloro-2-(2-chloroethoxy)ethane|1-Chloro-2-(beta-chloroethoxy)ethane|1-Chloro-2-(b-chloroethoxy)ethane|1,1'-Oxybis(2-chloro)ethane|1,1'-Oxybis[2-chloroethane]|1,5-Dichloro-3-oxapentane|2-(2-Chloroethoxy)ethyl chloride|2-Chloroethyl ether|2,2'-Dichloorethylether|2,2'-Dichlor-diaethylaether|2,2'-DICHLORDIAETHYLAETHER|2,2'-Dichlorethyl ether|2,2'-Dichlorodiethyl ether|2,2'-Dichloroethyl ether|2,2'-Dicloroetiletere|BCEE|beta,beta-Dichlorodiethyl ether|Bis (chloroethyl) ether|Bis(2-chlorethyl)ether|Bis(2-chloroethyl) ether|Bis(2-chloroethyl)ether|bis(2-cloroetil) eter|Bis(beta-chloroethyl) ether|Bis(chloro-2-ethyl) oxide|Bis(b-chloroethyl) ether|BRN 0605317|Caswell No. 309|Chlorex|Chloroethyl ether|Di-2-chloroethyl ether|Di(2-chloroethyl) ether|Di(beta-chloroethyl)ether|Di(b-Chloroethyl) ether|Dichloroether|Dichloroethyl ether|Dichloroethyl oxide|Diethylene glycol dichloride|Dwuchlorodwuetylowy eter|EINECS 203-870-1|EPA Pesticide Chemical Code 029501|Ethane, 1,1'-oxybis[2-chloro-|Ether dichlore|Ether, bis(2-c|92091-28-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020168 https://doi.org/10.22427/NTP-DATA-DTXSID9020168
ARPathway2016 ARPathway2016_70 Bis(dimethylaminothiocarbonyl) disulfide 137-26-8 DTXSID5021332 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 25.92490805 uM CN(C)C(=S)SSC(=S)N(C)C Bis(dimethylaminothiocarbonyl) disulfide 137-26-8|Bis(dimethylaminothiocarbonyl) disulfide|[Me2NC(S)S]2|4-04-00-00242|AApirol|Aatiram|Accel TMT|Accel TT|Accelerant T|Accelerator T|Accelerator Thiuram|Aceto TETD|alpha,alpha'-dithiobis(dimethylthio)formamide|Arasan 42-S|Arasan 50 red|Arasan 70-S Red|Arasan M|Arasan-m|Arasan-SF|Arasan-sf-x|Basultra|Betoxin|bis((dimethylamino)carbonothioyl) disulfide|Bis((dimethylamino)carbonothioyl) disulphide|bis(dimethyl thiocarbamoyl)disulfide|Bis(dimethyl-thiocarbamoyl)-disulfid|Bis(dimethylaminothiocarbonyl)disulfide|Bis(dimethylthiocarbamoyl) disulfide|Bis(dimethylthiocarbamoyl) disulphide|BIS(DIMETHYLTHIOCARBAMYL) DISULFIDE|BRN 1725821|Caswell No. 856|Chipco thiram 75|Cunitex|Cyuram DS|dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate|Disolfuro di tetrametiltiourame|Disulfide, bis(dimethylthiocarbamoyl)|disulfure de tetramethylthiourame|Disulfuro di tetrametiltiourame|EINECS 205-286-2|Ekagom TB|EPA Pesticide Chemical Code 079801|Falitiram|Fermide|Fermide 850|Ferna-Col|Fernacol|Fernasan|Fernasan A|Fernide|Flo Pro T Seed Protectant|Formalsol|Formamide, 1|1135443-08-1|12680-07-8|12680-62-5|200889-05-0|2213445-87-3|39456-80-9|56645-31-9|66173-72-6|92481-09-9|93196-73-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021332 https://doi.org/10.22427/NTP-DATA-DTXSID5021332
ARPathway2016 ARPathway2016_70 Bis(dimethylaminothiocarbonyl) disulfide 137-26-8 DTXSID5021332 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 1.69650633256529 uM CN(C)C(=S)SSC(=S)N(C)C Bis(dimethylaminothiocarbonyl) disulfide 137-26-8|Bis(dimethylaminothiocarbonyl) disulfide|[Me2NC(S)S]2|4-04-00-00242|AApirol|Aatiram|Accel TMT|Accel TT|Accelerant T|Accelerator T|Accelerator Thiuram|Aceto TETD|alpha,alpha'-dithiobis(dimethylthio)formamide|Arasan 42-S|Arasan 50 red|Arasan 70-S Red|Arasan M|Arasan-m|Arasan-SF|Arasan-sf-x|Basultra|Betoxin|bis((dimethylamino)carbonothioyl) disulfide|Bis((dimethylamino)carbonothioyl) disulphide|bis(dimethyl thiocarbamoyl)disulfide|Bis(dimethyl-thiocarbamoyl)-disulfid|Bis(dimethylaminothiocarbonyl)disulfide|Bis(dimethylthiocarbamoyl) disulfide|Bis(dimethylthiocarbamoyl) disulphide|BIS(DIMETHYLTHIOCARBAMYL) DISULFIDE|BRN 1725821|Caswell No. 856|Chipco thiram 75|Cunitex|Cyuram DS|dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate|Disolfuro di tetrametiltiourame|Disulfide, bis(dimethylthiocarbamoyl)|disulfure de tetramethylthiourame|Disulfuro di tetrametiltiourame|EINECS 205-286-2|Ekagom TB|EPA Pesticide Chemical Code 079801|Falitiram|Fermide|Fermide 850|Ferna-Col|Fernacol|Fernasan|Fernasan A|Fernide|Flo Pro T Seed Protectant|Formalsol|Formamide, 1|1135443-08-1|12680-07-8|12680-62-5|200889-05-0|2213445-87-3|39456-80-9|56645-31-9|66173-72-6|92481-09-9|93196-73-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021332 https://doi.org/10.22427/NTP-DATA-DTXSID5021332
ARPathway2016 ARPathway2016_70 Bis(dimethylaminothiocarbonyl) disulfide 137-26-8 DTXSID5021332 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0731 Unitless CN(C)C(=S)SSC(=S)N(C)C Bis(dimethylaminothiocarbonyl) disulfide 137-26-8|Bis(dimethylaminothiocarbonyl) disulfide|[Me2NC(S)S]2|4-04-00-00242|AApirol|Aatiram|Accel TMT|Accel TT|Accelerant T|Accelerator T|Accelerator Thiuram|Aceto TETD|alpha,alpha'-dithiobis(dimethylthio)formamide|Arasan 42-S|Arasan 50 red|Arasan 70-S Red|Arasan M|Arasan-m|Arasan-SF|Arasan-sf-x|Basultra|Betoxin|bis((dimethylamino)carbonothioyl) disulfide|Bis((dimethylamino)carbonothioyl) disulphide|bis(dimethyl thiocarbamoyl)disulfide|Bis(dimethyl-thiocarbamoyl)-disulfid|Bis(dimethylaminothiocarbonyl)disulfide|Bis(dimethylthiocarbamoyl) disulfide|Bis(dimethylthiocarbamoyl) disulphide|BIS(DIMETHYLTHIOCARBAMYL) DISULFIDE|BRN 1725821|Caswell No. 856|Chipco thiram 75|Cunitex|Cyuram DS|dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate|Disolfuro di tetrametiltiourame|Disulfide, bis(dimethylthiocarbamoyl)|disulfure de tetramethylthiourame|Disulfuro di tetrametiltiourame|EINECS 205-286-2|Ekagom TB|EPA Pesticide Chemical Code 079801|Falitiram|Fermide|Fermide 850|Ferna-Col|Fernacol|Fernasan|Fernasan A|Fernide|Flo Pro T Seed Protectant|Formalsol|Formamide, 1|1135443-08-1|12680-07-8|12680-62-5|200889-05-0|2213445-87-3|39456-80-9|56645-31-9|66173-72-6|92481-09-9|93196-73-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021332 https://doi.org/10.22427/NTP-DATA-DTXSID5021332
ARPathway2016 ARPathway2016_70 Bis(dimethylaminothiocarbonyl) disulfide 137-26-8 DTXSID5021332 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C(=S)SSC(=S)N(C)C Bis(dimethylaminothiocarbonyl) disulfide 137-26-8|Bis(dimethylaminothiocarbonyl) disulfide|[Me2NC(S)S]2|4-04-00-00242|AApirol|Aatiram|Accel TMT|Accel TT|Accelerant T|Accelerator T|Accelerator Thiuram|Aceto TETD|alpha,alpha'-dithiobis(dimethylthio)formamide|Arasan 42-S|Arasan 50 red|Arasan 70-S Red|Arasan M|Arasan-m|Arasan-SF|Arasan-sf-x|Basultra|Betoxin|bis((dimethylamino)carbonothioyl) disulfide|Bis((dimethylamino)carbonothioyl) disulphide|bis(dimethyl thiocarbamoyl)disulfide|Bis(dimethyl-thiocarbamoyl)-disulfid|Bis(dimethylaminothiocarbonyl)disulfide|Bis(dimethylthiocarbamoyl) disulfide|Bis(dimethylthiocarbamoyl) disulphide|BIS(DIMETHYLTHIOCARBAMYL) DISULFIDE|BRN 1725821|Caswell No. 856|Chipco thiram 75|Cunitex|Cyuram DS|dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate|Disolfuro di tetrametiltiourame|Disulfide, bis(dimethylthiocarbamoyl)|disulfure de tetramethylthiourame|Disulfuro di tetrametiltiourame|EINECS 205-286-2|Ekagom TB|EPA Pesticide Chemical Code 079801|Falitiram|Fermide|Fermide 850|Ferna-Col|Fernacol|Fernasan|Fernasan A|Fernide|Flo Pro T Seed Protectant|Formalsol|Formamide, 1|1135443-08-1|12680-07-8|12680-62-5|200889-05-0|2213445-87-3|39456-80-9|56645-31-9|66173-72-6|92481-09-9|93196-73-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021332 https://doi.org/10.22427/NTP-DATA-DTXSID5021332
ARPathway2016 ARPathway2016_70 Bis(dimethylaminothiocarbonyl) disulfide 137-26-8 DTXSID5021332 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CN(C)C(=S)SSC(=S)N(C)C Bis(dimethylaminothiocarbonyl) disulfide 137-26-8|Bis(dimethylaminothiocarbonyl) disulfide|[Me2NC(S)S]2|4-04-00-00242|AApirol|Aatiram|Accel TMT|Accel TT|Accelerant T|Accelerator T|Accelerator Thiuram|Aceto TETD|alpha,alpha'-dithiobis(dimethylthio)formamide|Arasan 42-S|Arasan 50 red|Arasan 70-S Red|Arasan M|Arasan-m|Arasan-SF|Arasan-sf-x|Basultra|Betoxin|bis((dimethylamino)carbonothioyl) disulfide|Bis((dimethylamino)carbonothioyl) disulphide|bis(dimethyl thiocarbamoyl)disulfide|Bis(dimethyl-thiocarbamoyl)-disulfid|Bis(dimethylaminothiocarbonyl)disulfide|Bis(dimethylthiocarbamoyl) disulfide|Bis(dimethylthiocarbamoyl) disulphide|BIS(DIMETHYLTHIOCARBAMYL) DISULFIDE|BRN 1725821|Caswell No. 856|Chipco thiram 75|Cunitex|Cyuram DS|dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate|Disolfuro di tetrametiltiourame|Disulfide, bis(dimethylthiocarbamoyl)|disulfure de tetramethylthiourame|Disulfuro di tetrametiltiourame|EINECS 205-286-2|Ekagom TB|EPA Pesticide Chemical Code 079801|Falitiram|Fermide|Fermide 850|Ferna-Col|Fernacol|Fernasan|Fernasan A|Fernide|Flo Pro T Seed Protectant|Formalsol|Formamide, 1|1135443-08-1|12680-07-8|12680-62-5|200889-05-0|2213445-87-3|39456-80-9|56645-31-9|66173-72-6|92481-09-9|93196-73-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021332 https://doi.org/10.22427/NTP-DATA-DTXSID5021332
ARPathway2016 ARPathway2016_70 Bis(dimethylaminothiocarbonyl) disulfide 137-26-8 DTXSID5021332 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C(=S)SSC(=S)N(C)C Bis(dimethylaminothiocarbonyl) disulfide 137-26-8|Bis(dimethylaminothiocarbonyl) disulfide|[Me2NC(S)S]2|4-04-00-00242|AApirol|Aatiram|Accel TMT|Accel TT|Accelerant T|Accelerator T|Accelerator Thiuram|Aceto TETD|alpha,alpha'-dithiobis(dimethylthio)formamide|Arasan 42-S|Arasan 50 red|Arasan 70-S Red|Arasan M|Arasan-m|Arasan-SF|Arasan-sf-x|Basultra|Betoxin|bis((dimethylamino)carbonothioyl) disulfide|Bis((dimethylamino)carbonothioyl) disulphide|bis(dimethyl thiocarbamoyl)disulfide|Bis(dimethyl-thiocarbamoyl)-disulfid|Bis(dimethylaminothiocarbonyl)disulfide|Bis(dimethylthiocarbamoyl) disulfide|Bis(dimethylthiocarbamoyl) disulphide|BIS(DIMETHYLTHIOCARBAMYL) DISULFIDE|BRN 1725821|Caswell No. 856|Chipco thiram 75|Cunitex|Cyuram DS|dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate|Disolfuro di tetrametiltiourame|Disulfide, bis(dimethylthiocarbamoyl)|disulfure de tetramethylthiourame|Disulfuro di tetrametiltiourame|EINECS 205-286-2|Ekagom TB|EPA Pesticide Chemical Code 079801|Falitiram|Fermide|Fermide 850|Ferna-Col|Fernacol|Fernasan|Fernasan A|Fernide|Flo Pro T Seed Protectant|Formalsol|Formamide, 1|1135443-08-1|12680-07-8|12680-62-5|200889-05-0|2213445-87-3|39456-80-9|56645-31-9|66173-72-6|92481-09-9|93196-73-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021332 https://doi.org/10.22427/NTP-DATA-DTXSID5021332
ERPathway2016 ERPathway2016_442 Bis(dimethylaminothiocarbonyl) disulfide 137-26-8 DTXSID5021332 R8 ER Pathway Model, Antagonist AC50 15.8495315173844 uM CN(C)C(=S)SSC(=S)N(C)C Bis(dimethylaminothiocarbonyl) disulfide 137-26-8|Bis(dimethylaminothiocarbonyl) disulfide|[Me2NC(S)S]2|4-04-00-00242|AApirol|Aatiram|Accel TMT|Accel TT|Accelerant T|Accelerator T|Accelerator Thiuram|Aceto TETD|alpha,alpha'-dithiobis(dimethylthio)formamide|Arasan 42-S|Arasan 50 red|Arasan 70-S Red|Arasan M|Arasan-m|Arasan-SF|Arasan-sf-x|Basultra|Betoxin|bis((dimethylamino)carbonothioyl) disulfide|Bis((dimethylamino)carbonothioyl) disulphide|bis(dimethyl thiocarbamoyl)disulfide|Bis(dimethyl-thiocarbamoyl)-disulfid|Bis(dimethylaminothiocarbonyl)disulfide|Bis(dimethylthiocarbamoyl) disulfide|Bis(dimethylthiocarbamoyl) disulphide|BIS(DIMETHYLTHIOCARBAMYL) DISULFIDE|BRN 1725821|Caswell No. 856|Chipco thiram 75|Cunitex|Cyuram DS|dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate|Disolfuro di tetrametiltiourame|Disulfide, bis(dimethylthiocarbamoyl)|disulfure de tetramethylthiourame|Disulfuro di tetrametiltiourame|EINECS 205-286-2|Ekagom TB|EPA Pesticide Chemical Code 079801|Falitiram|Fermide|Fermide 850|Ferna-Col|Fernacol|Fernasan|Fernasan A|Fernide|Flo Pro T Seed Protectant|Formalsol|Formamide, 1|1135443-08-1|12680-07-8|12680-62-5|200889-05-0|2213445-87-3|39456-80-9|56645-31-9|66173-72-6|92481-09-9|93196-73-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021332 https://doi.org/10.22427/NTP-DATA-DTXSID5021332
ERPathway2016 ERPathway2016_442 Bis(dimethylaminothiocarbonyl) disulfide 137-26-8 DTXSID5021332 R8 ER Pathway Model, Antagonist ACC 13.9488404367794 uM CN(C)C(=S)SSC(=S)N(C)C Bis(dimethylaminothiocarbonyl) disulfide 137-26-8|Bis(dimethylaminothiocarbonyl) disulfide|[Me2NC(S)S]2|4-04-00-00242|AApirol|Aatiram|Accel TMT|Accel TT|Accelerant T|Accelerator T|Accelerator Thiuram|Aceto TETD|alpha,alpha'-dithiobis(dimethylthio)formamide|Arasan 42-S|Arasan 50 red|Arasan 70-S Red|Arasan M|Arasan-m|Arasan-SF|Arasan-sf-x|Basultra|Betoxin|bis((dimethylamino)carbonothioyl) disulfide|Bis((dimethylamino)carbonothioyl) disulphide|bis(dimethyl thiocarbamoyl)disulfide|Bis(dimethyl-thiocarbamoyl)-disulfid|Bis(dimethylaminothiocarbonyl)disulfide|Bis(dimethylthiocarbamoyl) disulfide|Bis(dimethylthiocarbamoyl) disulphide|BIS(DIMETHYLTHIOCARBAMYL) DISULFIDE|BRN 1725821|Caswell No. 856|Chipco thiram 75|Cunitex|Cyuram DS|dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate|Disolfuro di tetrametiltiourame|Disulfide, bis(dimethylthiocarbamoyl)|disulfure de tetramethylthiourame|Disulfuro di tetrametiltiourame|EINECS 205-286-2|Ekagom TB|EPA Pesticide Chemical Code 079801|Falitiram|Fermide|Fermide 850|Ferna-Col|Fernacol|Fernasan|Fernasan A|Fernide|Flo Pro T Seed Protectant|Formalsol|Formamide, 1|1135443-08-1|12680-07-8|12680-62-5|200889-05-0|2213445-87-3|39456-80-9|56645-31-9|66173-72-6|92481-09-9|93196-73-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021332 https://doi.org/10.22427/NTP-DATA-DTXSID5021332
ERPathway2016 ERPathway2016_442 Bis(dimethylaminothiocarbonyl) disulfide 137-26-8 DTXSID5021332 R8 ER Pathway Model, Agonist Model Score 0.00506 Unitless CN(C)C(=S)SSC(=S)N(C)C Bis(dimethylaminothiocarbonyl) disulfide 137-26-8|Bis(dimethylaminothiocarbonyl) disulfide|[Me2NC(S)S]2|4-04-00-00242|AApirol|Aatiram|Accel TMT|Accel TT|Accelerant T|Accelerator T|Accelerator Thiuram|Aceto TETD|alpha,alpha'-dithiobis(dimethylthio)formamide|Arasan 42-S|Arasan 50 red|Arasan 70-S Red|Arasan M|Arasan-m|Arasan-SF|Arasan-sf-x|Basultra|Betoxin|bis((dimethylamino)carbonothioyl) disulfide|Bis((dimethylamino)carbonothioyl) disulphide|bis(dimethyl thiocarbamoyl)disulfide|Bis(dimethyl-thiocarbamoyl)-disulfid|Bis(dimethylaminothiocarbonyl)disulfide|Bis(dimethylthiocarbamoyl) disulfide|Bis(dimethylthiocarbamoyl) disulphide|BIS(DIMETHYLTHIOCARBAMYL) DISULFIDE|BRN 1725821|Caswell No. 856|Chipco thiram 75|Cunitex|Cyuram DS|dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate|Disolfuro di tetrametiltiourame|Disulfide, bis(dimethylthiocarbamoyl)|disulfure de tetramethylthiourame|Disulfuro di tetrametiltiourame|EINECS 205-286-2|Ekagom TB|EPA Pesticide Chemical Code 079801|Falitiram|Fermide|Fermide 850|Ferna-Col|Fernacol|Fernasan|Fernasan A|Fernide|Flo Pro T Seed Protectant|Formalsol|Formamide, 1|1135443-08-1|12680-07-8|12680-62-5|200889-05-0|2213445-87-3|39456-80-9|56645-31-9|66173-72-6|92481-09-9|93196-73-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021332 https://doi.org/10.22427/NTP-DATA-DTXSID5021332
ERPathway2016 ERPathway2016_442 Bis(dimethylaminothiocarbonyl) disulfide 137-26-8 DTXSID5021332 R8 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(=S)SSC(=S)N(C)C Bis(dimethylaminothiocarbonyl) disulfide 137-26-8|Bis(dimethylaminothiocarbonyl) disulfide|[Me2NC(S)S]2|4-04-00-00242|AApirol|Aatiram|Accel TMT|Accel TT|Accelerant T|Accelerator T|Accelerator Thiuram|Aceto TETD|alpha,alpha'-dithiobis(dimethylthio)formamide|Arasan 42-S|Arasan 50 red|Arasan 70-S Red|Arasan M|Arasan-m|Arasan-SF|Arasan-sf-x|Basultra|Betoxin|bis((dimethylamino)carbonothioyl) disulfide|Bis((dimethylamino)carbonothioyl) disulphide|bis(dimethyl thiocarbamoyl)disulfide|Bis(dimethyl-thiocarbamoyl)-disulfid|Bis(dimethylaminothiocarbonyl)disulfide|Bis(dimethylthiocarbamoyl) disulfide|Bis(dimethylthiocarbamoyl) disulphide|BIS(DIMETHYLTHIOCARBAMYL) DISULFIDE|BRN 1725821|Caswell No. 856|Chipco thiram 75|Cunitex|Cyuram DS|dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate|Disolfuro di tetrametiltiourame|Disulfide, bis(dimethylthiocarbamoyl)|disulfure de tetramethylthiourame|Disulfuro di tetrametiltiourame|EINECS 205-286-2|Ekagom TB|EPA Pesticide Chemical Code 079801|Falitiram|Fermide|Fermide 850|Ferna-Col|Fernacol|Fernasan|Fernasan A|Fernide|Flo Pro T Seed Protectant|Formalsol|Formamide, 1|1135443-08-1|12680-07-8|12680-62-5|200889-05-0|2213445-87-3|39456-80-9|56645-31-9|66173-72-6|92481-09-9|93196-73-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021332 https://doi.org/10.22427/NTP-DATA-DTXSID5021332
ERPathway2016 ERPathway2016_442 Bis(dimethylaminothiocarbonyl) disulfide 137-26-8 DTXSID5021332 R8 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C(=S)SSC(=S)N(C)C Bis(dimethylaminothiocarbonyl) disulfide 137-26-8|Bis(dimethylaminothiocarbonyl) disulfide|[Me2NC(S)S]2|4-04-00-00242|AApirol|Aatiram|Accel TMT|Accel TT|Accelerant T|Accelerator T|Accelerator Thiuram|Aceto TETD|alpha,alpha'-dithiobis(dimethylthio)formamide|Arasan 42-S|Arasan 50 red|Arasan 70-S Red|Arasan M|Arasan-m|Arasan-SF|Arasan-sf-x|Basultra|Betoxin|bis((dimethylamino)carbonothioyl) disulfide|Bis((dimethylamino)carbonothioyl) disulphide|bis(dimethyl thiocarbamoyl)disulfide|Bis(dimethyl-thiocarbamoyl)-disulfid|Bis(dimethylaminothiocarbonyl)disulfide|Bis(dimethylthiocarbamoyl) disulfide|Bis(dimethylthiocarbamoyl) disulphide|BIS(DIMETHYLTHIOCARBAMYL) DISULFIDE|BRN 1725821|Caswell No. 856|Chipco thiram 75|Cunitex|Cyuram DS|dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate|Disolfuro di tetrametiltiourame|Disulfide, bis(dimethylthiocarbamoyl)|disulfure de tetramethylthiourame|Disulfuro di tetrametiltiourame|EINECS 205-286-2|Ekagom TB|EPA Pesticide Chemical Code 079801|Falitiram|Fermide|Fermide 850|Ferna-Col|Fernacol|Fernasan|Fernasan A|Fernide|Flo Pro T Seed Protectant|Formalsol|Formamide, 1|1135443-08-1|12680-07-8|12680-62-5|200889-05-0|2213445-87-3|39456-80-9|56645-31-9|66173-72-6|92481-09-9|93196-73-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021332 https://doi.org/10.22427/NTP-DATA-DTXSID5021332
ERPathway2016 ERPathway2016_442 Bis(dimethylaminothiocarbonyl) disulfide 137-26-8 DTXSID5021332 R8 ER Pathway Model, Antagonist Call Active Unitless CN(C)C(=S)SSC(=S)N(C)C Bis(dimethylaminothiocarbonyl) disulfide 137-26-8|Bis(dimethylaminothiocarbonyl) disulfide|[Me2NC(S)S]2|4-04-00-00242|AApirol|Aatiram|Accel TMT|Accel TT|Accelerant T|Accelerator T|Accelerator Thiuram|Aceto TETD|alpha,alpha'-dithiobis(dimethylthio)formamide|Arasan 42-S|Arasan 50 red|Arasan 70-S Red|Arasan M|Arasan-m|Arasan-SF|Arasan-sf-x|Basultra|Betoxin|bis((dimethylamino)carbonothioyl) disulfide|Bis((dimethylamino)carbonothioyl) disulphide|bis(dimethyl thiocarbamoyl)disulfide|Bis(dimethyl-thiocarbamoyl)-disulfid|Bis(dimethylaminothiocarbonyl)disulfide|Bis(dimethylthiocarbamoyl) disulfide|Bis(dimethylthiocarbamoyl) disulphide|BIS(DIMETHYLTHIOCARBAMYL) DISULFIDE|BRN 1725821|Caswell No. 856|Chipco thiram 75|Cunitex|Cyuram DS|dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate|Disolfuro di tetrametiltiourame|Disulfide, bis(dimethylthiocarbamoyl)|disulfure de tetramethylthiourame|Disulfuro di tetrametiltiourame|EINECS 205-286-2|Ekagom TB|EPA Pesticide Chemical Code 079801|Falitiram|Fermide|Fermide 850|Ferna-Col|Fernacol|Fernasan|Fernasan A|Fernide|Flo Pro T Seed Protectant|Formalsol|Formamide, 1|1135443-08-1|12680-07-8|12680-62-5|200889-05-0|2213445-87-3|39456-80-9|56645-31-9|66173-72-6|92481-09-9|93196-73-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021332 https://doi.org/10.22427/NTP-DATA-DTXSID5021332
ARPathway2016 ARPathway2016_286 Bisphenol A 80-05-7 DTXSID7020182 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 16.8348356403529 uM CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol A 80-05-7|Bisphenol A|(1-methylethylidene)bis-Phenol|(4,4'-Dihydroxydiphenyl)dimethylmethane|1,1'-(1-Methylethylidene)bisphenylol, 9CI|2, 2-Bis(4-hydroxyphenyl)propane|2, 2-Bis(hydroxyphenyl)propane|2, 2-Di(4-phenylol)propane|2,2-(4,4-Dihydroxydiphenyl)propane|2,2-(4,4'-Dihydroxydiphenyl)propane|2,2-Bis (4-hydroxyphenol) propane|2,2-BIS-(4-HYDROXY-PHENYL)-PROPANE|2,2-Bis-4'-hydroxyfenylpropan|2,2-Bis(4-hydroxyphenyl)propane|2,2-Bis(4,4'-hydroxyphenyl)propane|2,2-Bis(4'-hydroxyphenyl) propane|2,2-Bis(4'-hydroxyphenyl)propane|2,2-Bis(hydroxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)-Propane|2,2-Bis(p-hydroxyphenyl)propane|2,2-Bis[4-Hydroxyphenyl]propane|2,2-Di-(4'-Hydroxyphenyl)-propane|2,2-Di(4-Hydroxyphenyl) Propane|2,2-DI(4-HYDROXYPHENYL)PROPANE|2,2-Di(4-phenylol)propane|2,2'-Bis(4-hydroxyphenyl)propane|201-245-8|4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenol|4-[2-(4-hydroxyphenyl)propan-2-yl]phenol|4-06-00-06717|4, 4'-Bisphenol A|4, 4'-Dihydroxydiphenyl-2,2-propane|4, 4'-Dihydroxydiphenyldimethylmethane|4, 4'-Dihydroxydiphenylpropane||137885-53-1|1429425-26-2|146479-75-6|27360-89-0|28106-82-3|37808-08-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020182 https://doi.org/10.22427/NTP-DATA-DTXSID7020182
ARPathway2016 ARPathway2016_286 Bisphenol A 80-05-7 DTXSID7020182 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 17.0951719331564 uM CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol A 80-05-7|Bisphenol A|(1-methylethylidene)bis-Phenol|(4,4'-Dihydroxydiphenyl)dimethylmethane|1,1'-(1-Methylethylidene)bisphenylol, 9CI|2, 2-Bis(4-hydroxyphenyl)propane|2, 2-Bis(hydroxyphenyl)propane|2, 2-Di(4-phenylol)propane|2,2-(4,4-Dihydroxydiphenyl)propane|2,2-(4,4'-Dihydroxydiphenyl)propane|2,2-Bis (4-hydroxyphenol) propane|2,2-BIS-(4-HYDROXY-PHENYL)-PROPANE|2,2-Bis-4'-hydroxyfenylpropan|2,2-Bis(4-hydroxyphenyl)propane|2,2-Bis(4,4'-hydroxyphenyl)propane|2,2-Bis(4'-hydroxyphenyl) propane|2,2-Bis(4'-hydroxyphenyl)propane|2,2-Bis(hydroxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)-Propane|2,2-Bis(p-hydroxyphenyl)propane|2,2-Bis[4-Hydroxyphenyl]propane|2,2-Di-(4'-Hydroxyphenyl)-propane|2,2-Di(4-Hydroxyphenyl) Propane|2,2-DI(4-HYDROXYPHENYL)PROPANE|2,2-Di(4-phenylol)propane|2,2'-Bis(4-hydroxyphenyl)propane|201-245-8|4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenol|4-[2-(4-hydroxyphenyl)propan-2-yl]phenol|4-06-00-06717|4, 4'-Bisphenol A|4, 4'-Dihydroxydiphenyl-2,2-propane|4, 4'-Dihydroxydiphenyldimethylmethane|4, 4'-Dihydroxydiphenylpropane||137885-53-1|1429425-26-2|146479-75-6|27360-89-0|28106-82-3|37808-08-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020182 https://doi.org/10.22427/NTP-DATA-DTXSID7020182
ARPathway2016 ARPathway2016_286 Bisphenol A 80-05-7 DTXSID7020182 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.345 Unitless CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol A 80-05-7|Bisphenol A|(1-methylethylidene)bis-Phenol|(4,4'-Dihydroxydiphenyl)dimethylmethane|1,1'-(1-Methylethylidene)bisphenylol, 9CI|2, 2-Bis(4-hydroxyphenyl)propane|2, 2-Bis(hydroxyphenyl)propane|2, 2-Di(4-phenylol)propane|2,2-(4,4-Dihydroxydiphenyl)propane|2,2-(4,4'-Dihydroxydiphenyl)propane|2,2-Bis (4-hydroxyphenol) propane|2,2-BIS-(4-HYDROXY-PHENYL)-PROPANE|2,2-Bis-4'-hydroxyfenylpropan|2,2-Bis(4-hydroxyphenyl)propane|2,2-Bis(4,4'-hydroxyphenyl)propane|2,2-Bis(4'-hydroxyphenyl) propane|2,2-Bis(4'-hydroxyphenyl)propane|2,2-Bis(hydroxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)-Propane|2,2-Bis(p-hydroxyphenyl)propane|2,2-Bis[4-Hydroxyphenyl]propane|2,2-Di-(4'-Hydroxyphenyl)-propane|2,2-Di(4-Hydroxyphenyl) Propane|2,2-DI(4-HYDROXYPHENYL)PROPANE|2,2-Di(4-phenylol)propane|2,2'-Bis(4-hydroxyphenyl)propane|201-245-8|4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenol|4-[2-(4-hydroxyphenyl)propan-2-yl]phenol|4-06-00-06717|4, 4'-Bisphenol A|4, 4'-Dihydroxydiphenyl-2,2-propane|4, 4'-Dihydroxydiphenyldimethylmethane|4, 4'-Dihydroxydiphenylpropane||137885-53-1|1429425-26-2|146479-75-6|27360-89-0|28106-82-3|37808-08-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020182 https://doi.org/10.22427/NTP-DATA-DTXSID7020182
ARPathway2016 ARPathway2016_286 Bisphenol A 80-05-7 DTXSID7020182 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol A 80-05-7|Bisphenol A|(1-methylethylidene)bis-Phenol|(4,4'-Dihydroxydiphenyl)dimethylmethane|1,1'-(1-Methylethylidene)bisphenylol, 9CI|2, 2-Bis(4-hydroxyphenyl)propane|2, 2-Bis(hydroxyphenyl)propane|2, 2-Di(4-phenylol)propane|2,2-(4,4-Dihydroxydiphenyl)propane|2,2-(4,4'-Dihydroxydiphenyl)propane|2,2-Bis (4-hydroxyphenol) propane|2,2-BIS-(4-HYDROXY-PHENYL)-PROPANE|2,2-Bis-4'-hydroxyfenylpropan|2,2-Bis(4-hydroxyphenyl)propane|2,2-Bis(4,4'-hydroxyphenyl)propane|2,2-Bis(4'-hydroxyphenyl) propane|2,2-Bis(4'-hydroxyphenyl)propane|2,2-Bis(hydroxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)-Propane|2,2-Bis(p-hydroxyphenyl)propane|2,2-Bis[4-Hydroxyphenyl]propane|2,2-Di-(4'-Hydroxyphenyl)-propane|2,2-Di(4-Hydroxyphenyl) Propane|2,2-DI(4-HYDROXYPHENYL)PROPANE|2,2-Di(4-phenylol)propane|2,2'-Bis(4-hydroxyphenyl)propane|201-245-8|4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenol|4-[2-(4-hydroxyphenyl)propan-2-yl]phenol|4-06-00-06717|4, 4'-Bisphenol A|4, 4'-Dihydroxydiphenyl-2,2-propane|4, 4'-Dihydroxydiphenyldimethylmethane|4, 4'-Dihydroxydiphenylpropane||137885-53-1|1429425-26-2|146479-75-6|27360-89-0|28106-82-3|37808-08-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020182 https://doi.org/10.22427/NTP-DATA-DTXSID7020182
ARPathway2016 ARPathway2016_286 Bisphenol A 80-05-7 DTXSID7020182 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol A 80-05-7|Bisphenol A|(1-methylethylidene)bis-Phenol|(4,4'-Dihydroxydiphenyl)dimethylmethane|1,1'-(1-Methylethylidene)bisphenylol, 9CI|2, 2-Bis(4-hydroxyphenyl)propane|2, 2-Bis(hydroxyphenyl)propane|2, 2-Di(4-phenylol)propane|2,2-(4,4-Dihydroxydiphenyl)propane|2,2-(4,4'-Dihydroxydiphenyl)propane|2,2-Bis (4-hydroxyphenol) propane|2,2-BIS-(4-HYDROXY-PHENYL)-PROPANE|2,2-Bis-4'-hydroxyfenylpropan|2,2-Bis(4-hydroxyphenyl)propane|2,2-Bis(4,4'-hydroxyphenyl)propane|2,2-Bis(4'-hydroxyphenyl) propane|2,2-Bis(4'-hydroxyphenyl)propane|2,2-Bis(hydroxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)-Propane|2,2-Bis(p-hydroxyphenyl)propane|2,2-Bis[4-Hydroxyphenyl]propane|2,2-Di-(4'-Hydroxyphenyl)-propane|2,2-Di(4-Hydroxyphenyl) Propane|2,2-DI(4-HYDROXYPHENYL)PROPANE|2,2-Di(4-phenylol)propane|2,2'-Bis(4-hydroxyphenyl)propane|201-245-8|4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenol|4-[2-(4-hydroxyphenyl)propan-2-yl]phenol|4-06-00-06717|4, 4'-Bisphenol A|4, 4'-Dihydroxydiphenyl-2,2-propane|4, 4'-Dihydroxydiphenyldimethylmethane|4, 4'-Dihydroxydiphenylpropane||137885-53-1|1429425-26-2|146479-75-6|27360-89-0|28106-82-3|37808-08-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020182 https://doi.org/10.22427/NTP-DATA-DTXSID7020182
ARPathway2016 ARPathway2016_286 Bisphenol A 80-05-7 DTXSID7020182 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol A 80-05-7|Bisphenol A|(1-methylethylidene)bis-Phenol|(4,4'-Dihydroxydiphenyl)dimethylmethane|1,1'-(1-Methylethylidene)bisphenylol, 9CI|2, 2-Bis(4-hydroxyphenyl)propane|2, 2-Bis(hydroxyphenyl)propane|2, 2-Di(4-phenylol)propane|2,2-(4,4-Dihydroxydiphenyl)propane|2,2-(4,4'-Dihydroxydiphenyl)propane|2,2-Bis (4-hydroxyphenol) propane|2,2-BIS-(4-HYDROXY-PHENYL)-PROPANE|2,2-Bis-4'-hydroxyfenylpropan|2,2-Bis(4-hydroxyphenyl)propane|2,2-Bis(4,4'-hydroxyphenyl)propane|2,2-Bis(4'-hydroxyphenyl) propane|2,2-Bis(4'-hydroxyphenyl)propane|2,2-Bis(hydroxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)-Propane|2,2-Bis(p-hydroxyphenyl)propane|2,2-Bis[4-Hydroxyphenyl]propane|2,2-Di-(4'-Hydroxyphenyl)-propane|2,2-Di(4-Hydroxyphenyl) Propane|2,2-DI(4-HYDROXYPHENYL)PROPANE|2,2-Di(4-phenylol)propane|2,2'-Bis(4-hydroxyphenyl)propane|201-245-8|4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenol|4-[2-(4-hydroxyphenyl)propan-2-yl]phenol|4-06-00-06717|4, 4'-Bisphenol A|4, 4'-Dihydroxydiphenyl-2,2-propane|4, 4'-Dihydroxydiphenyldimethylmethane|4, 4'-Dihydroxydiphenylpropane||137885-53-1|1429425-26-2|146479-75-6|27360-89-0|28106-82-3|37808-08-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020182 https://doi.org/10.22427/NTP-DATA-DTXSID7020182
ERPathway2016 ERPathway2016_161 Bisphenol A 80-05-7 DTXSID7020182 Agonist ER Pathway Model, Antagonist AC50 0.669617515126504 uM CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol A 80-05-7|Bisphenol A|(1-methylethylidene)bis-Phenol|(4,4'-Dihydroxydiphenyl)dimethylmethane|1,1'-(1-Methylethylidene)bisphenylol, 9CI|2, 2-Bis(4-hydroxyphenyl)propane|2, 2-Bis(hydroxyphenyl)propane|2, 2-Di(4-phenylol)propane|2,2-(4,4-Dihydroxydiphenyl)propane|2,2-(4,4'-Dihydroxydiphenyl)propane|2,2-Bis (4-hydroxyphenol) propane|2,2-BIS-(4-HYDROXY-PHENYL)-PROPANE|2,2-Bis-4'-hydroxyfenylpropan|2,2-Bis(4-hydroxyphenyl)propane|2,2-Bis(4,4'-hydroxyphenyl)propane|2,2-Bis(4'-hydroxyphenyl) propane|2,2-Bis(4'-hydroxyphenyl)propane|2,2-Bis(hydroxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)-Propane|2,2-Bis(p-hydroxyphenyl)propane|2,2-Bis[4-Hydroxyphenyl]propane|2,2-Di-(4'-Hydroxyphenyl)-propane|2,2-Di(4-Hydroxyphenyl) Propane|2,2-DI(4-HYDROXYPHENYL)PROPANE|2,2-Di(4-phenylol)propane|2,2'-Bis(4-hydroxyphenyl)propane|201-245-8|4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenol|4-[2-(4-hydroxyphenyl)propan-2-yl]phenol|4-06-00-06717|4, 4'-Bisphenol A|4, 4'-Dihydroxydiphenyl-2,2-propane|4, 4'-Dihydroxydiphenyldimethylmethane|4, 4'-Dihydroxydiphenylpropane||137885-53-1|1429425-26-2|146479-75-6|27360-89-0|28106-82-3|37808-08-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020182 https://doi.org/10.22427/NTP-DATA-DTXSID7020182
ERPathway2016 ERPathway2016_161 Bisphenol A 80-05-7 DTXSID7020182 Agonist ER Pathway Model, Antagonist ACC 0.228354371372336 uM CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol A 80-05-7|Bisphenol A|(1-methylethylidene)bis-Phenol|(4,4'-Dihydroxydiphenyl)dimethylmethane|1,1'-(1-Methylethylidene)bisphenylol, 9CI|2, 2-Bis(4-hydroxyphenyl)propane|2, 2-Bis(hydroxyphenyl)propane|2, 2-Di(4-phenylol)propane|2,2-(4,4-Dihydroxydiphenyl)propane|2,2-(4,4'-Dihydroxydiphenyl)propane|2,2-Bis (4-hydroxyphenol) propane|2,2-BIS-(4-HYDROXY-PHENYL)-PROPANE|2,2-Bis-4'-hydroxyfenylpropan|2,2-Bis(4-hydroxyphenyl)propane|2,2-Bis(4,4'-hydroxyphenyl)propane|2,2-Bis(4'-hydroxyphenyl) propane|2,2-Bis(4'-hydroxyphenyl)propane|2,2-Bis(hydroxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)-Propane|2,2-Bis(p-hydroxyphenyl)propane|2,2-Bis[4-Hydroxyphenyl]propane|2,2-Di-(4'-Hydroxyphenyl)-propane|2,2-Di(4-Hydroxyphenyl) Propane|2,2-DI(4-HYDROXYPHENYL)PROPANE|2,2-Di(4-phenylol)propane|2,2'-Bis(4-hydroxyphenyl)propane|201-245-8|4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenol|4-[2-(4-hydroxyphenyl)propan-2-yl]phenol|4-06-00-06717|4, 4'-Bisphenol A|4, 4'-Dihydroxydiphenyl-2,2-propane|4, 4'-Dihydroxydiphenyldimethylmethane|4, 4'-Dihydroxydiphenylpropane||137885-53-1|1429425-26-2|146479-75-6|27360-89-0|28106-82-3|37808-08-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020182 https://doi.org/10.22427/NTP-DATA-DTXSID7020182
ERPathway2016 ERPathway2016_161 Bisphenol A 80-05-7 DTXSID7020182 Agonist ER Pathway Model, Agonist Model Score 0.45 Unitless CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol A 80-05-7|Bisphenol A|(1-methylethylidene)bis-Phenol|(4,4'-Dihydroxydiphenyl)dimethylmethane|1,1'-(1-Methylethylidene)bisphenylol, 9CI|2, 2-Bis(4-hydroxyphenyl)propane|2, 2-Bis(hydroxyphenyl)propane|2, 2-Di(4-phenylol)propane|2,2-(4,4-Dihydroxydiphenyl)propane|2,2-(4,4'-Dihydroxydiphenyl)propane|2,2-Bis (4-hydroxyphenol) propane|2,2-BIS-(4-HYDROXY-PHENYL)-PROPANE|2,2-Bis-4'-hydroxyfenylpropan|2,2-Bis(4-hydroxyphenyl)propane|2,2-Bis(4,4'-hydroxyphenyl)propane|2,2-Bis(4'-hydroxyphenyl) propane|2,2-Bis(4'-hydroxyphenyl)propane|2,2-Bis(hydroxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)-Propane|2,2-Bis(p-hydroxyphenyl)propane|2,2-Bis[4-Hydroxyphenyl]propane|2,2-Di-(4'-Hydroxyphenyl)-propane|2,2-Di(4-Hydroxyphenyl) Propane|2,2-DI(4-HYDROXYPHENYL)PROPANE|2,2-Di(4-phenylol)propane|2,2'-Bis(4-hydroxyphenyl)propane|201-245-8|4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenol|4-[2-(4-hydroxyphenyl)propan-2-yl]phenol|4-06-00-06717|4, 4'-Bisphenol A|4, 4'-Dihydroxydiphenyl-2,2-propane|4, 4'-Dihydroxydiphenyldimethylmethane|4, 4'-Dihydroxydiphenylpropane||137885-53-1|1429425-26-2|146479-75-6|27360-89-0|28106-82-3|37808-08-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020182 https://doi.org/10.22427/NTP-DATA-DTXSID7020182
ERPathway2016 ERPathway2016_161 Bisphenol A 80-05-7 DTXSID7020182 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol A 80-05-7|Bisphenol A|(1-methylethylidene)bis-Phenol|(4,4'-Dihydroxydiphenyl)dimethylmethane|1,1'-(1-Methylethylidene)bisphenylol, 9CI|2, 2-Bis(4-hydroxyphenyl)propane|2, 2-Bis(hydroxyphenyl)propane|2, 2-Di(4-phenylol)propane|2,2-(4,4-Dihydroxydiphenyl)propane|2,2-(4,4'-Dihydroxydiphenyl)propane|2,2-Bis (4-hydroxyphenol) propane|2,2-BIS-(4-HYDROXY-PHENYL)-PROPANE|2,2-Bis-4'-hydroxyfenylpropan|2,2-Bis(4-hydroxyphenyl)propane|2,2-Bis(4,4'-hydroxyphenyl)propane|2,2-Bis(4'-hydroxyphenyl) propane|2,2-Bis(4'-hydroxyphenyl)propane|2,2-Bis(hydroxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)-Propane|2,2-Bis(p-hydroxyphenyl)propane|2,2-Bis[4-Hydroxyphenyl]propane|2,2-Di-(4'-Hydroxyphenyl)-propane|2,2-Di(4-Hydroxyphenyl) Propane|2,2-DI(4-HYDROXYPHENYL)PROPANE|2,2-Di(4-phenylol)propane|2,2'-Bis(4-hydroxyphenyl)propane|201-245-8|4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenol|4-[2-(4-hydroxyphenyl)propan-2-yl]phenol|4-06-00-06717|4, 4'-Bisphenol A|4, 4'-Dihydroxydiphenyl-2,2-propane|4, 4'-Dihydroxydiphenyldimethylmethane|4, 4'-Dihydroxydiphenylpropane||137885-53-1|1429425-26-2|146479-75-6|27360-89-0|28106-82-3|37808-08-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020182 https://doi.org/10.22427/NTP-DATA-DTXSID7020182
ERPathway2016 ERPathway2016_161 Bisphenol A 80-05-7 DTXSID7020182 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol A 80-05-7|Bisphenol A|(1-methylethylidene)bis-Phenol|(4,4'-Dihydroxydiphenyl)dimethylmethane|1,1'-(1-Methylethylidene)bisphenylol, 9CI|2, 2-Bis(4-hydroxyphenyl)propane|2, 2-Bis(hydroxyphenyl)propane|2, 2-Di(4-phenylol)propane|2,2-(4,4-Dihydroxydiphenyl)propane|2,2-(4,4'-Dihydroxydiphenyl)propane|2,2-Bis (4-hydroxyphenol) propane|2,2-BIS-(4-HYDROXY-PHENYL)-PROPANE|2,2-Bis-4'-hydroxyfenylpropan|2,2-Bis(4-hydroxyphenyl)propane|2,2-Bis(4,4'-hydroxyphenyl)propane|2,2-Bis(4'-hydroxyphenyl) propane|2,2-Bis(4'-hydroxyphenyl)propane|2,2-Bis(hydroxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)-Propane|2,2-Bis(p-hydroxyphenyl)propane|2,2-Bis[4-Hydroxyphenyl]propane|2,2-Di-(4'-Hydroxyphenyl)-propane|2,2-Di(4-Hydroxyphenyl) Propane|2,2-DI(4-HYDROXYPHENYL)PROPANE|2,2-Di(4-phenylol)propane|2,2'-Bis(4-hydroxyphenyl)propane|201-245-8|4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenol|4-[2-(4-hydroxyphenyl)propan-2-yl]phenol|4-06-00-06717|4, 4'-Bisphenol A|4, 4'-Dihydroxydiphenyl-2,2-propane|4, 4'-Dihydroxydiphenyldimethylmethane|4, 4'-Dihydroxydiphenylpropane||137885-53-1|1429425-26-2|146479-75-6|27360-89-0|28106-82-3|37808-08-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020182 https://doi.org/10.22427/NTP-DATA-DTXSID7020182
ERPathway2016 ERPathway2016_161 Bisphenol A 80-05-7 DTXSID7020182 Agonist ER Pathway Model, Antagonist Call Active Unitless CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol A 80-05-7|Bisphenol A|(1-methylethylidene)bis-Phenol|(4,4'-Dihydroxydiphenyl)dimethylmethane|1,1'-(1-Methylethylidene)bisphenylol, 9CI|2, 2-Bis(4-hydroxyphenyl)propane|2, 2-Bis(hydroxyphenyl)propane|2, 2-Di(4-phenylol)propane|2,2-(4,4-Dihydroxydiphenyl)propane|2,2-(4,4'-Dihydroxydiphenyl)propane|2,2-Bis (4-hydroxyphenol) propane|2,2-BIS-(4-HYDROXY-PHENYL)-PROPANE|2,2-Bis-4'-hydroxyfenylpropan|2,2-Bis(4-hydroxyphenyl)propane|2,2-Bis(4,4'-hydroxyphenyl)propane|2,2-Bis(4'-hydroxyphenyl) propane|2,2-Bis(4'-hydroxyphenyl)propane|2,2-Bis(hydroxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)-Propane|2,2-Bis(p-hydroxyphenyl)propane|2,2-Bis[4-Hydroxyphenyl]propane|2,2-Di-(4'-Hydroxyphenyl)-propane|2,2-Di(4-Hydroxyphenyl) Propane|2,2-DI(4-HYDROXYPHENYL)PROPANE|2,2-Di(4-phenylol)propane|2,2'-Bis(4-hydroxyphenyl)propane|201-245-8|4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenol|4-[2-(4-hydroxyphenyl)propan-2-yl]phenol|4-06-00-06717|4, 4'-Bisphenol A|4, 4'-Dihydroxydiphenyl-2,2-propane|4, 4'-Dihydroxydiphenyldimethylmethane|4, 4'-Dihydroxydiphenylpropane||137885-53-1|1429425-26-2|146479-75-6|27360-89-0|28106-82-3|37808-08-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020182 https://doi.org/10.22427/NTP-DATA-DTXSID7020182
ARPathway2016 ARPathway2016_88 Bisphenol A diglycidyl ether 1675-54-3 DTXSID6024624 1.0 AR Pathway Model, Agonist AC50 86.91348115 uM CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1 Bisphenol A diglycidyl ether 1675-54-3|Bisphenol A diglycidyl ether|2,2-bis(4-(2,3-epoxypropoxy)phenyl) propane|2,2-Bis(4-(2,3-epoxypropyloxy)phenyl)propane|2,2-Bis(4-glycidyloxyphenyl)propane|2,2-Bis(4-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(4-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis(4'-glycidoxyphenyl)propane|2,2-Bis(4'-glycidyloxyphenyl)propane|2,2-Bis(p-(2,3-epoxypropoxy)phenyl)propane|2,2-Bis(p-glycidyloxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(p-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis[4-(2,3-epoxypropoxy)phenyl]propane|2,2-Bis[4-(2,3-epoxypropyloxy)phenyl]propane|2,2-Bis[p-(2,3-epoxypropoxy)phenyl]propane|2,2-Di(4-glycidyloxyphenyl)propane|2,2'-[(1-Methylethyliden)bis(4,1-phenylenoxymethylen)]bisoxiran|2,2'-[(1-Methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane|2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxiranne|2,2'-[(1-metiletiliden)bis(4,1-fenilenoximetilen)]bisoxirano|216-823-5|4,4'-Bis(2,3-epoxypropoxy)diphenyldimethylmethane|4,4'-Dihydroxydiphenyldimethylmethane diglycidyl ether|4,4'-Is|1018476-17-9|116161-20-7|1226906-55-3|170962-54-6|220756-60-5|47424-12-4|64339-51-1|85101-00-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024624 https://doi.org/10.22427/NTP-DATA-DTXSID6024624
ARPathway2016 ARPathway2016_88 Bisphenol A diglycidyl ether 1675-54-3 DTXSID6024624 1.0 AR Pathway Model, Agonist ACC 88.41065159 uM CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1 Bisphenol A diglycidyl ether 1675-54-3|Bisphenol A diglycidyl ether|2,2-bis(4-(2,3-epoxypropoxy)phenyl) propane|2,2-Bis(4-(2,3-epoxypropyloxy)phenyl)propane|2,2-Bis(4-glycidyloxyphenyl)propane|2,2-Bis(4-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(4-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis(4'-glycidoxyphenyl)propane|2,2-Bis(4'-glycidyloxyphenyl)propane|2,2-Bis(p-(2,3-epoxypropoxy)phenyl)propane|2,2-Bis(p-glycidyloxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(p-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis[4-(2,3-epoxypropoxy)phenyl]propane|2,2-Bis[4-(2,3-epoxypropyloxy)phenyl]propane|2,2-Bis[p-(2,3-epoxypropoxy)phenyl]propane|2,2-Di(4-glycidyloxyphenyl)propane|2,2'-[(1-Methylethyliden)bis(4,1-phenylenoxymethylen)]bisoxiran|2,2'-[(1-Methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane|2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxiranne|2,2'-[(1-metiletiliden)bis(4,1-fenilenoximetilen)]bisoxirano|216-823-5|4,4'-Bis(2,3-epoxypropoxy)diphenyldimethylmethane|4,4'-Dihydroxydiphenyldimethylmethane diglycidyl ether|4,4'-Is|1018476-17-9|116161-20-7|1226906-55-3|170962-54-6|220756-60-5|47424-12-4|64339-51-1|85101-00-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024624 https://doi.org/10.22427/NTP-DATA-DTXSID6024624
ARPathway2016 ARPathway2016_88 Bisphenol A diglycidyl ether 1675-54-3 DTXSID6024624 1.0 AR Pathway Model, Antagonist Model Score 0.0243 Unitless CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1 Bisphenol A diglycidyl ether 1675-54-3|Bisphenol A diglycidyl ether|2,2-bis(4-(2,3-epoxypropoxy)phenyl) propane|2,2-Bis(4-(2,3-epoxypropyloxy)phenyl)propane|2,2-Bis(4-glycidyloxyphenyl)propane|2,2-Bis(4-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(4-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis(4'-glycidoxyphenyl)propane|2,2-Bis(4'-glycidyloxyphenyl)propane|2,2-Bis(p-(2,3-epoxypropoxy)phenyl)propane|2,2-Bis(p-glycidyloxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(p-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis[4-(2,3-epoxypropoxy)phenyl]propane|2,2-Bis[4-(2,3-epoxypropyloxy)phenyl]propane|2,2-Bis[p-(2,3-epoxypropoxy)phenyl]propane|2,2-Di(4-glycidyloxyphenyl)propane|2,2'-[(1-Methylethyliden)bis(4,1-phenylenoxymethylen)]bisoxiran|2,2'-[(1-Methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane|2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxiranne|2,2'-[(1-metiletiliden)bis(4,1-fenilenoximetilen)]bisoxirano|216-823-5|4,4'-Bis(2,3-epoxypropoxy)diphenyldimethylmethane|4,4'-Dihydroxydiphenyldimethylmethane diglycidyl ether|4,4'-Is|1018476-17-9|116161-20-7|1226906-55-3|170962-54-6|220756-60-5|47424-12-4|64339-51-1|85101-00-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024624 https://doi.org/10.22427/NTP-DATA-DTXSID6024624
ARPathway2016 ARPathway2016_88 Bisphenol A diglycidyl ether 1675-54-3 DTXSID6024624 1.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1 Bisphenol A diglycidyl ether 1675-54-3|Bisphenol A diglycidyl ether|2,2-bis(4-(2,3-epoxypropoxy)phenyl) propane|2,2-Bis(4-(2,3-epoxypropyloxy)phenyl)propane|2,2-Bis(4-glycidyloxyphenyl)propane|2,2-Bis(4-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(4-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis(4'-glycidoxyphenyl)propane|2,2-Bis(4'-glycidyloxyphenyl)propane|2,2-Bis(p-(2,3-epoxypropoxy)phenyl)propane|2,2-Bis(p-glycidyloxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(p-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis[4-(2,3-epoxypropoxy)phenyl]propane|2,2-Bis[4-(2,3-epoxypropyloxy)phenyl]propane|2,2-Bis[p-(2,3-epoxypropoxy)phenyl]propane|2,2-Di(4-glycidyloxyphenyl)propane|2,2'-[(1-Methylethyliden)bis(4,1-phenylenoxymethylen)]bisoxiran|2,2'-[(1-Methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane|2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxiranne|2,2'-[(1-metiletiliden)bis(4,1-fenilenoximetilen)]bisoxirano|216-823-5|4,4'-Bis(2,3-epoxypropoxy)diphenyldimethylmethane|4,4'-Dihydroxydiphenyldimethylmethane diglycidyl ether|4,4'-Is|1018476-17-9|116161-20-7|1226906-55-3|170962-54-6|220756-60-5|47424-12-4|64339-51-1|85101-00-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024624 https://doi.org/10.22427/NTP-DATA-DTXSID6024624
ARPathway2016 ARPathway2016_88 Bisphenol A diglycidyl ether 1675-54-3 DTXSID6024624 1.0 AR Pathway Model, Agonist Call Active Unitless CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1 Bisphenol A diglycidyl ether 1675-54-3|Bisphenol A diglycidyl ether|2,2-bis(4-(2,3-epoxypropoxy)phenyl) propane|2,2-Bis(4-(2,3-epoxypropyloxy)phenyl)propane|2,2-Bis(4-glycidyloxyphenyl)propane|2,2-Bis(4-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(4-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis(4'-glycidoxyphenyl)propane|2,2-Bis(4'-glycidyloxyphenyl)propane|2,2-Bis(p-(2,3-epoxypropoxy)phenyl)propane|2,2-Bis(p-glycidyloxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(p-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis[4-(2,3-epoxypropoxy)phenyl]propane|2,2-Bis[4-(2,3-epoxypropyloxy)phenyl]propane|2,2-Bis[p-(2,3-epoxypropoxy)phenyl]propane|2,2-Di(4-glycidyloxyphenyl)propane|2,2'-[(1-Methylethyliden)bis(4,1-phenylenoxymethylen)]bisoxiran|2,2'-[(1-Methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane|2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxiranne|2,2'-[(1-metiletiliden)bis(4,1-fenilenoximetilen)]bisoxirano|216-823-5|4,4'-Bis(2,3-epoxypropoxy)diphenyldimethylmethane|4,4'-Dihydroxydiphenyldimethylmethane diglycidyl ether|4,4'-Is|1018476-17-9|116161-20-7|1226906-55-3|170962-54-6|220756-60-5|47424-12-4|64339-51-1|85101-00-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024624 https://doi.org/10.22427/NTP-DATA-DTXSID6024624
ARPathway2016 ARPathway2016_88 Bisphenol A diglycidyl ether 1675-54-3 DTXSID6024624 1.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1 Bisphenol A diglycidyl ether 1675-54-3|Bisphenol A diglycidyl ether|2,2-bis(4-(2,3-epoxypropoxy)phenyl) propane|2,2-Bis(4-(2,3-epoxypropyloxy)phenyl)propane|2,2-Bis(4-glycidyloxyphenyl)propane|2,2-Bis(4-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(4-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis(4'-glycidoxyphenyl)propane|2,2-Bis(4'-glycidyloxyphenyl)propane|2,2-Bis(p-(2,3-epoxypropoxy)phenyl)propane|2,2-Bis(p-glycidyloxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(p-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis[4-(2,3-epoxypropoxy)phenyl]propane|2,2-Bis[4-(2,3-epoxypropyloxy)phenyl]propane|2,2-Bis[p-(2,3-epoxypropoxy)phenyl]propane|2,2-Di(4-glycidyloxyphenyl)propane|2,2'-[(1-Methylethyliden)bis(4,1-phenylenoxymethylen)]bisoxiran|2,2'-[(1-Methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane|2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxiranne|2,2'-[(1-metiletiliden)bis(4,1-fenilenoximetilen)]bisoxirano|216-823-5|4,4'-Bis(2,3-epoxypropoxy)diphenyldimethylmethane|4,4'-Dihydroxydiphenyldimethylmethane diglycidyl ether|4,4'-Is|1018476-17-9|116161-20-7|1226906-55-3|170962-54-6|220756-60-5|47424-12-4|64339-51-1|85101-00-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024624 https://doi.org/10.22427/NTP-DATA-DTXSID6024624
ERPathway2016 ERPathway2016_1343 Bisphenol A diglycidyl ether 1675-54-3 DTXSID6024624 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1 Bisphenol A diglycidyl ether 1675-54-3|Bisphenol A diglycidyl ether|2,2-bis(4-(2,3-epoxypropoxy)phenyl) propane|2,2-Bis(4-(2,3-epoxypropyloxy)phenyl)propane|2,2-Bis(4-glycidyloxyphenyl)propane|2,2-Bis(4-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(4-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis(4'-glycidoxyphenyl)propane|2,2-Bis(4'-glycidyloxyphenyl)propane|2,2-Bis(p-(2,3-epoxypropoxy)phenyl)propane|2,2-Bis(p-glycidyloxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(p-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis[4-(2,3-epoxypropoxy)phenyl]propane|2,2-Bis[4-(2,3-epoxypropyloxy)phenyl]propane|2,2-Bis[p-(2,3-epoxypropoxy)phenyl]propane|2,2-Di(4-glycidyloxyphenyl)propane|2,2'-[(1-Methylethyliden)bis(4,1-phenylenoxymethylen)]bisoxiran|2,2'-[(1-Methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane|2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxiranne|2,2'-[(1-metiletiliden)bis(4,1-fenilenoximetilen)]bisoxirano|216-823-5|4,4'-Bis(2,3-epoxypropoxy)diphenyldimethylmethane|4,4'-Dihydroxydiphenyldimethylmethane diglycidyl ether|4,4'-Is|1018476-17-9|116161-20-7|1226906-55-3|170962-54-6|220756-60-5|47424-12-4|64339-51-1|85101-00-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024624 https://doi.org/10.22427/NTP-DATA-DTXSID6024624
ERPathway2016 ERPathway2016_1343 Bisphenol A diglycidyl ether 1675-54-3 DTXSID6024624 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1 Bisphenol A diglycidyl ether 1675-54-3|Bisphenol A diglycidyl ether|2,2-bis(4-(2,3-epoxypropoxy)phenyl) propane|2,2-Bis(4-(2,3-epoxypropyloxy)phenyl)propane|2,2-Bis(4-glycidyloxyphenyl)propane|2,2-Bis(4-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(4-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis(4'-glycidoxyphenyl)propane|2,2-Bis(4'-glycidyloxyphenyl)propane|2,2-Bis(p-(2,3-epoxypropoxy)phenyl)propane|2,2-Bis(p-glycidyloxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(p-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis[4-(2,3-epoxypropoxy)phenyl]propane|2,2-Bis[4-(2,3-epoxypropyloxy)phenyl]propane|2,2-Bis[p-(2,3-epoxypropoxy)phenyl]propane|2,2-Di(4-glycidyloxyphenyl)propane|2,2'-[(1-Methylethyliden)bis(4,1-phenylenoxymethylen)]bisoxiran|2,2'-[(1-Methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane|2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxiranne|2,2'-[(1-metiletiliden)bis(4,1-fenilenoximetilen)]bisoxirano|216-823-5|4,4'-Bis(2,3-epoxypropoxy)diphenyldimethylmethane|4,4'-Dihydroxydiphenyldimethylmethane diglycidyl ether|4,4'-Is|1018476-17-9|116161-20-7|1226906-55-3|170962-54-6|220756-60-5|47424-12-4|64339-51-1|85101-00-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024624 https://doi.org/10.22427/NTP-DATA-DTXSID6024624
ERPathway2016 ERPathway2016_1343 Bisphenol A diglycidyl ether 1675-54-3 DTXSID6024624 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1 Bisphenol A diglycidyl ether 1675-54-3|Bisphenol A diglycidyl ether|2,2-bis(4-(2,3-epoxypropoxy)phenyl) propane|2,2-Bis(4-(2,3-epoxypropyloxy)phenyl)propane|2,2-Bis(4-glycidyloxyphenyl)propane|2,2-Bis(4-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(4-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis(4'-glycidoxyphenyl)propane|2,2-Bis(4'-glycidyloxyphenyl)propane|2,2-Bis(p-(2,3-epoxypropoxy)phenyl)propane|2,2-Bis(p-glycidyloxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(p-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis[4-(2,3-epoxypropoxy)phenyl]propane|2,2-Bis[4-(2,3-epoxypropyloxy)phenyl]propane|2,2-Bis[p-(2,3-epoxypropoxy)phenyl]propane|2,2-Di(4-glycidyloxyphenyl)propane|2,2'-[(1-Methylethyliden)bis(4,1-phenylenoxymethylen)]bisoxiran|2,2'-[(1-Methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane|2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxiranne|2,2'-[(1-metiletiliden)bis(4,1-fenilenoximetilen)]bisoxirano|216-823-5|4,4'-Bis(2,3-epoxypropoxy)diphenyldimethylmethane|4,4'-Dihydroxydiphenyldimethylmethane diglycidyl ether|4,4'-Is|1018476-17-9|116161-20-7|1226906-55-3|170962-54-6|220756-60-5|47424-12-4|64339-51-1|85101-00-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024624 https://doi.org/10.22427/NTP-DATA-DTXSID6024624
ERPathway2016 ERPathway2016_1343 Bisphenol A diglycidyl ether 1675-54-3 DTXSID6024624 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1 Bisphenol A diglycidyl ether 1675-54-3|Bisphenol A diglycidyl ether|2,2-bis(4-(2,3-epoxypropoxy)phenyl) propane|2,2-Bis(4-(2,3-epoxypropyloxy)phenyl)propane|2,2-Bis(4-glycidyloxyphenyl)propane|2,2-Bis(4-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(4-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis(4'-glycidoxyphenyl)propane|2,2-Bis(4'-glycidyloxyphenyl)propane|2,2-Bis(p-(2,3-epoxypropoxy)phenyl)propane|2,2-Bis(p-glycidyloxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)propane diglycidyl ether|2,2-Bis(p-hydroxyphenyl)propane, diglycidyl ether|2,2-Bis[4-(2,3-epoxypropoxy)phenyl]propane|2,2-Bis[4-(2,3-epoxypropyloxy)phenyl]propane|2,2-Bis[p-(2,3-epoxypropoxy)phenyl]propane|2,2-Di(4-glycidyloxyphenyl)propane|2,2'-[(1-Methylethyliden)bis(4,1-phenylenoxymethylen)]bisoxiran|2,2'-[(1-Methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane|2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxiranne|2,2'-[(1-metiletiliden)bis(4,1-fenilenoximetilen)]bisoxirano|216-823-5|4,4'-Bis(2,3-epoxypropoxy)diphenyldimethylmethane|4,4'-Dihydroxydiphenyldimethylmethane diglycidyl ether|4,4'-Is|1018476-17-9|116161-20-7|1226906-55-3|170962-54-6|220756-60-5|47424-12-4|64339-51-1|85101-00-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024624 https://doi.org/10.22427/NTP-DATA-DTXSID6024624
ARPathway2016 ARPathway2016_79 Bisphenol AF 1478-61-1 DTXSID7037717 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 26.23359717 uM OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)(C(F)(F)F)C(F)(F)F Bisphenol AF 1478-61-1|Bisphenol AF|2,2-Bis-(p-hydroxyphenyl)-hexafluoropropane|2,2-Bis(4-hydroxyphenyl)perfluoropropane|216-036-7|4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)diphenol|4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphenol|4,4'-(Hexafluoroisopropylidene)diphenol|4,4'-(Trifluoro-1-(trifluoromethyl)ethylidene)diphenol|4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]diphenol|EC No.: 216-036-7|EINECS 216-036-7|Hexafluoroacetone bisphenol A|Hexafluorodiphenylolpropane|Hexafluoroisopropylidenebis(4-hydroxybenzene)|NSC 152522|Phenol, 4,4'-(bis(trifluoromethyl)methylene)di-|Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-|Phenol,4,4'-[2,2,2-trifluoro-1-(trifluromethyl)ethylidene]bis-|UNII-OH7IX8A37J|110444-90-1|1429425-28-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037717 https://doi.org/10.22427/NTP-DATA-DTXSID7037717
ARPathway2016 ARPathway2016_79 Bisphenol AF 1478-61-1 DTXSID7037717 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 21.38830686 uM OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)(C(F)(F)F)C(F)(F)F Bisphenol AF 1478-61-1|Bisphenol AF|2,2-Bis-(p-hydroxyphenyl)-hexafluoropropane|2,2-Bis(4-hydroxyphenyl)perfluoropropane|216-036-7|4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)diphenol|4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphenol|4,4'-(Hexafluoroisopropylidene)diphenol|4,4'-(Trifluoro-1-(trifluoromethyl)ethylidene)diphenol|4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]diphenol|EC No.: 216-036-7|EINECS 216-036-7|Hexafluoroacetone bisphenol A|Hexafluorodiphenylolpropane|Hexafluoroisopropylidenebis(4-hydroxybenzene)|NSC 152522|Phenol, 4,4'-(bis(trifluoromethyl)methylene)di-|Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-|Phenol,4,4'-[2,2,2-trifluoro-1-(trifluromethyl)ethylidene]bis-|UNII-OH7IX8A37J|110444-90-1|1429425-28-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037717 https://doi.org/10.22427/NTP-DATA-DTXSID7037717
ARPathway2016 ARPathway2016_79 Bisphenol AF 1478-61-1 DTXSID7037717 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.328 Unitless OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)(C(F)(F)F)C(F)(F)F Bisphenol AF 1478-61-1|Bisphenol AF|2,2-Bis-(p-hydroxyphenyl)-hexafluoropropane|2,2-Bis(4-hydroxyphenyl)perfluoropropane|216-036-7|4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)diphenol|4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphenol|4,4'-(Hexafluoroisopropylidene)diphenol|4,4'-(Trifluoro-1-(trifluoromethyl)ethylidene)diphenol|4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]diphenol|EC No.: 216-036-7|EINECS 216-036-7|Hexafluoroacetone bisphenol A|Hexafluorodiphenylolpropane|Hexafluoroisopropylidenebis(4-hydroxybenzene)|NSC 152522|Phenol, 4,4'-(bis(trifluoromethyl)methylene)di-|Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-|Phenol,4,4'-[2,2,2-trifluoro-1-(trifluromethyl)ethylidene]bis-|UNII-OH7IX8A37J|110444-90-1|1429425-28-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037717 https://doi.org/10.22427/NTP-DATA-DTXSID7037717
ARPathway2016 ARPathway2016_79 Bisphenol AF 1478-61-1 DTXSID7037717 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)(C(F)(F)F)C(F)(F)F Bisphenol AF 1478-61-1|Bisphenol AF|2,2-Bis-(p-hydroxyphenyl)-hexafluoropropane|2,2-Bis(4-hydroxyphenyl)perfluoropropane|216-036-7|4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)diphenol|4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphenol|4,4'-(Hexafluoroisopropylidene)diphenol|4,4'-(Trifluoro-1-(trifluoromethyl)ethylidene)diphenol|4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]diphenol|EC No.: 216-036-7|EINECS 216-036-7|Hexafluoroacetone bisphenol A|Hexafluorodiphenylolpropane|Hexafluoroisopropylidenebis(4-hydroxybenzene)|NSC 152522|Phenol, 4,4'-(bis(trifluoromethyl)methylene)di-|Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-|Phenol,4,4'-[2,2,2-trifluoro-1-(trifluromethyl)ethylidene]bis-|UNII-OH7IX8A37J|110444-90-1|1429425-28-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037717 https://doi.org/10.22427/NTP-DATA-DTXSID7037717
ARPathway2016 ARPathway2016_79 Bisphenol AF 1478-61-1 DTXSID7037717 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)(C(F)(F)F)C(F)(F)F Bisphenol AF 1478-61-1|Bisphenol AF|2,2-Bis-(p-hydroxyphenyl)-hexafluoropropane|2,2-Bis(4-hydroxyphenyl)perfluoropropane|216-036-7|4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)diphenol|4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphenol|4,4'-(Hexafluoroisopropylidene)diphenol|4,4'-(Trifluoro-1-(trifluoromethyl)ethylidene)diphenol|4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]diphenol|EC No.: 216-036-7|EINECS 216-036-7|Hexafluoroacetone bisphenol A|Hexafluorodiphenylolpropane|Hexafluoroisopropylidenebis(4-hydroxybenzene)|NSC 152522|Phenol, 4,4'-(bis(trifluoromethyl)methylene)di-|Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-|Phenol,4,4'-[2,2,2-trifluoro-1-(trifluromethyl)ethylidene]bis-|UNII-OH7IX8A37J|110444-90-1|1429425-28-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037717 https://doi.org/10.22427/NTP-DATA-DTXSID7037717
ARPathway2016 ARPathway2016_79 Bisphenol AF 1478-61-1 DTXSID7037717 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)(C(F)(F)F)C(F)(F)F Bisphenol AF 1478-61-1|Bisphenol AF|2,2-Bis-(p-hydroxyphenyl)-hexafluoropropane|2,2-Bis(4-hydroxyphenyl)perfluoropropane|216-036-7|4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)diphenol|4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphenol|4,4'-(Hexafluoroisopropylidene)diphenol|4,4'-(Trifluoro-1-(trifluoromethyl)ethylidene)diphenol|4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]diphenol|EC No.: 216-036-7|EINECS 216-036-7|Hexafluoroacetone bisphenol A|Hexafluorodiphenylolpropane|Hexafluoroisopropylidenebis(4-hydroxybenzene)|NSC 152522|Phenol, 4,4'-(bis(trifluoromethyl)methylene)di-|Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-|Phenol,4,4'-[2,2,2-trifluoro-1-(trifluromethyl)ethylidene]bis-|UNII-OH7IX8A37J|110444-90-1|1429425-28-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037717 https://doi.org/10.22427/NTP-DATA-DTXSID7037717
ERPathway2016 ERPathway2016_155 Bisphenol AF 1478-61-1 DTXSID7037717 Agonist ER Pathway Model, Antagonist AC50 0.103899631829059 uM OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)(C(F)(F)F)C(F)(F)F Bisphenol AF 1478-61-1|Bisphenol AF|2,2-Bis-(p-hydroxyphenyl)-hexafluoropropane|2,2-Bis(4-hydroxyphenyl)perfluoropropane|216-036-7|4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)diphenol|4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphenol|4,4'-(Hexafluoroisopropylidene)diphenol|4,4'-(Trifluoro-1-(trifluoromethyl)ethylidene)diphenol|4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]diphenol|EC No.: 216-036-7|EINECS 216-036-7|Hexafluoroacetone bisphenol A|Hexafluorodiphenylolpropane|Hexafluoroisopropylidenebis(4-hydroxybenzene)|NSC 152522|Phenol, 4,4'-(bis(trifluoromethyl)methylene)di-|Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-|Phenol,4,4'-[2,2,2-trifluoro-1-(trifluromethyl)ethylidene]bis-|UNII-OH7IX8A37J|110444-90-1|1429425-28-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037717 https://doi.org/10.22427/NTP-DATA-DTXSID7037717
ERPathway2016 ERPathway2016_155 Bisphenol AF 1478-61-1 DTXSID7037717 Agonist ER Pathway Model, Antagonist ACC 0.0302387033423784 uM OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)(C(F)(F)F)C(F)(F)F Bisphenol AF 1478-61-1|Bisphenol AF|2,2-Bis-(p-hydroxyphenyl)-hexafluoropropane|2,2-Bis(4-hydroxyphenyl)perfluoropropane|216-036-7|4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)diphenol|4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphenol|4,4'-(Hexafluoroisopropylidene)diphenol|4,4'-(Trifluoro-1-(trifluoromethyl)ethylidene)diphenol|4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]diphenol|EC No.: 216-036-7|EINECS 216-036-7|Hexafluoroacetone bisphenol A|Hexafluorodiphenylolpropane|Hexafluoroisopropylidenebis(4-hydroxybenzene)|NSC 152522|Phenol, 4,4'-(bis(trifluoromethyl)methylene)di-|Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-|Phenol,4,4'-[2,2,2-trifluoro-1-(trifluromethyl)ethylidene]bis-|UNII-OH7IX8A37J|110444-90-1|1429425-28-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037717 https://doi.org/10.22427/NTP-DATA-DTXSID7037717
ERPathway2016 ERPathway2016_155 Bisphenol AF 1478-61-1 DTXSID7037717 Agonist ER Pathway Model, Agonist Model Score 0.552 Unitless OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)(C(F)(F)F)C(F)(F)F Bisphenol AF 1478-61-1|Bisphenol AF|2,2-Bis-(p-hydroxyphenyl)-hexafluoropropane|2,2-Bis(4-hydroxyphenyl)perfluoropropane|216-036-7|4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)diphenol|4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphenol|4,4'-(Hexafluoroisopropylidene)diphenol|4,4'-(Trifluoro-1-(trifluoromethyl)ethylidene)diphenol|4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]diphenol|EC No.: 216-036-7|EINECS 216-036-7|Hexafluoroacetone bisphenol A|Hexafluorodiphenylolpropane|Hexafluoroisopropylidenebis(4-hydroxybenzene)|NSC 152522|Phenol, 4,4'-(bis(trifluoromethyl)methylene)di-|Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-|Phenol,4,4'-[2,2,2-trifluoro-1-(trifluromethyl)ethylidene]bis-|UNII-OH7IX8A37J|110444-90-1|1429425-28-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037717 https://doi.org/10.22427/NTP-DATA-DTXSID7037717
ERPathway2016 ERPathway2016_155 Bisphenol AF 1478-61-1 DTXSID7037717 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)(C(F)(F)F)C(F)(F)F Bisphenol AF 1478-61-1|Bisphenol AF|2,2-Bis-(p-hydroxyphenyl)-hexafluoropropane|2,2-Bis(4-hydroxyphenyl)perfluoropropane|216-036-7|4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)diphenol|4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphenol|4,4'-(Hexafluoroisopropylidene)diphenol|4,4'-(Trifluoro-1-(trifluoromethyl)ethylidene)diphenol|4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]diphenol|EC No.: 216-036-7|EINECS 216-036-7|Hexafluoroacetone bisphenol A|Hexafluorodiphenylolpropane|Hexafluoroisopropylidenebis(4-hydroxybenzene)|NSC 152522|Phenol, 4,4'-(bis(trifluoromethyl)methylene)di-|Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-|Phenol,4,4'-[2,2,2-trifluoro-1-(trifluromethyl)ethylidene]bis-|UNII-OH7IX8A37J|110444-90-1|1429425-28-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037717 https://doi.org/10.22427/NTP-DATA-DTXSID7037717
ERPathway2016 ERPathway2016_155 Bisphenol AF 1478-61-1 DTXSID7037717 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)(C(F)(F)F)C(F)(F)F Bisphenol AF 1478-61-1|Bisphenol AF|2,2-Bis-(p-hydroxyphenyl)-hexafluoropropane|2,2-Bis(4-hydroxyphenyl)perfluoropropane|216-036-7|4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)diphenol|4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphenol|4,4'-(Hexafluoroisopropylidene)diphenol|4,4'-(Trifluoro-1-(trifluoromethyl)ethylidene)diphenol|4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]diphenol|EC No.: 216-036-7|EINECS 216-036-7|Hexafluoroacetone bisphenol A|Hexafluorodiphenylolpropane|Hexafluoroisopropylidenebis(4-hydroxybenzene)|NSC 152522|Phenol, 4,4'-(bis(trifluoromethyl)methylene)di-|Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-|Phenol,4,4'-[2,2,2-trifluoro-1-(trifluromethyl)ethylidene]bis-|UNII-OH7IX8A37J|110444-90-1|1429425-28-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037717 https://doi.org/10.22427/NTP-DATA-DTXSID7037717
ERPathway2016 ERPathway2016_155 Bisphenol AF 1478-61-1 DTXSID7037717 Agonist ER Pathway Model, Antagonist Call Active Unitless OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)(C(F)(F)F)C(F)(F)F Bisphenol AF 1478-61-1|Bisphenol AF|2,2-Bis-(p-hydroxyphenyl)-hexafluoropropane|2,2-Bis(4-hydroxyphenyl)perfluoropropane|216-036-7|4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)diphenol|4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphenol|4,4'-(Hexafluoroisopropylidene)diphenol|4,4'-(Trifluoro-1-(trifluoromethyl)ethylidene)diphenol|4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]diphenol|EC No.: 216-036-7|EINECS 216-036-7|Hexafluoroacetone bisphenol A|Hexafluorodiphenylolpropane|Hexafluoroisopropylidenebis(4-hydroxybenzene)|NSC 152522|Phenol, 4,4'-(bis(trifluoromethyl)methylene)di-|Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-|Phenol,4,4'-[2,2,2-trifluoro-1-(trifluromethyl)ethylidene]bis-|UNII-OH7IX8A37J|110444-90-1|1429425-28-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037717 https://doi.org/10.22427/NTP-DATA-DTXSID7037717
ARPathway2016 ARPathway2016_276 Bisphenol B 77-40-7 DTXSID4022442 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 25.72574106 uM CCC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol B 77-40-7|Bisphenol B|2,2-Bis(4-hydroxyphenyl)butane|4,4'-(1-Methylpropylidene)bisphenol|4,4'-Dihydroxy-2,2-diphenylbutane|EINECS 201-025-1|UNII-1RC731TJJA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022442
ARPathway2016 ARPathway2016_276 Bisphenol B 77-40-7 DTXSID4022442 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 25.49750737 uM CCC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol B 77-40-7|Bisphenol B|2,2-Bis(4-hydroxyphenyl)butane|4,4'-(1-Methylpropylidene)bisphenol|4,4'-Dihydroxy-2,2-diphenylbutane|EINECS 201-025-1|UNII-1RC731TJJA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022442
ARPathway2016 ARPathway2016_276 Bisphenol B 77-40-7 DTXSID4022442 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.258 Unitless CCC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol B 77-40-7|Bisphenol B|2,2-Bis(4-hydroxyphenyl)butane|4,4'-(1-Methylpropylidene)bisphenol|4,4'-Dihydroxy-2,2-diphenylbutane|EINECS 201-025-1|UNII-1RC731TJJA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022442
ARPathway2016 ARPathway2016_276 Bisphenol B 77-40-7 DTXSID4022442 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol B 77-40-7|Bisphenol B|2,2-Bis(4-hydroxyphenyl)butane|4,4'-(1-Methylpropylidene)bisphenol|4,4'-Dihydroxy-2,2-diphenylbutane|EINECS 201-025-1|UNII-1RC731TJJA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022442
ARPathway2016 ARPathway2016_276 Bisphenol B 77-40-7 DTXSID4022442 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol B 77-40-7|Bisphenol B|2,2-Bis(4-hydroxyphenyl)butane|4,4'-(1-Methylpropylidene)bisphenol|4,4'-Dihydroxy-2,2-diphenylbutane|EINECS 201-025-1|UNII-1RC731TJJA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022442
ARPathway2016 ARPathway2016_276 Bisphenol B 77-40-7 DTXSID4022442 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol B 77-40-7|Bisphenol B|2,2-Bis(4-hydroxyphenyl)butane|4,4'-(1-Methylpropylidene)bisphenol|4,4'-Dihydroxy-2,2-diphenylbutane|EINECS 201-025-1|UNII-1RC731TJJA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022442
ERPathway2016 ERPathway2016_159 Bisphenol B 77-40-7 DTXSID4022442 Agonist ER Pathway Model, Antagonist AC50 0.206317359497137 uM CCC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol B 77-40-7|Bisphenol B|2,2-Bis(4-hydroxyphenyl)butane|4,4'-(1-Methylpropylidene)bisphenol|4,4'-Dihydroxy-2,2-diphenylbutane|EINECS 201-025-1|UNII-1RC731TJJA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022442
ERPathway2016 ERPathway2016_159 Bisphenol B 77-40-7 DTXSID4022442 Agonist ER Pathway Model, Antagonist ACC 0.0735461170082794 uM CCC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol B 77-40-7|Bisphenol B|2,2-Bis(4-hydroxyphenyl)butane|4,4'-(1-Methylpropylidene)bisphenol|4,4'-Dihydroxy-2,2-diphenylbutane|EINECS 201-025-1|UNII-1RC731TJJA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022442
ERPathway2016 ERPathway2016_159 Bisphenol B 77-40-7 DTXSID4022442 Agonist ER Pathway Model, Agonist Model Score 0.491 Unitless CCC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol B 77-40-7|Bisphenol B|2,2-Bis(4-hydroxyphenyl)butane|4,4'-(1-Methylpropylidene)bisphenol|4,4'-Dihydroxy-2,2-diphenylbutane|EINECS 201-025-1|UNII-1RC731TJJA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022442
ERPathway2016 ERPathway2016_159 Bisphenol B 77-40-7 DTXSID4022442 Agonist ER Pathway Model, Antagonist Model Score 0.00196 Unitless CCC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol B 77-40-7|Bisphenol B|2,2-Bis(4-hydroxyphenyl)butane|4,4'-(1-Methylpropylidene)bisphenol|4,4'-Dihydroxy-2,2-diphenylbutane|EINECS 201-025-1|UNII-1RC731TJJA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022442
ERPathway2016 ERPathway2016_159 Bisphenol B 77-40-7 DTXSID4022442 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol B 77-40-7|Bisphenol B|2,2-Bis(4-hydroxyphenyl)butane|4,4'-(1-Methylpropylidene)bisphenol|4,4'-Dihydroxy-2,2-diphenylbutane|EINECS 201-025-1|UNII-1RC731TJJA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022442
ERPathway2016 ERPathway2016_159 Bisphenol B 77-40-7 DTXSID4022442 Agonist ER Pathway Model, Antagonist Call Active Unitless CCC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Bisphenol B 77-40-7|Bisphenol B|2,2-Bis(4-hydroxyphenyl)butane|4,4'-(1-Methylpropylidene)bisphenol|4,4'-Dihydroxy-2,2-diphenylbutane|EINECS 201-025-1|UNII-1RC731TJJA https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022442
ARPathway2016 ARPathway2016_741 Bispyribac-sodium 125401-92-5 DTXSID7034383 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].COC1=CC(OC)=NC(OC2=CC=CC(OC3=NC(OC)=CC(OC)=N3)=C2C([O-])=O)=N1 Bispyribac-sodium 125401-92-5|Bispyribac-sodium|603-066-4|Adora|Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt|Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt (1:1)|Bispyribac sodium|Designee|EC No.: 603-066-4|EPA Chemical Code 078906|KIH 2023|KIH-2023|Nanogen Index code is BPY (3-031)|Nominee|Nominee 400SC|PC 078906|PC Code 078906|Regiment|Short-keep|Sodium 2,6-bis(4,6-dimethoxy-2-pyrimidinyl)xoy)benzoate|sodium 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate|UNII-4NVB39F4NF|V 10029 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034383
ARPathway2016 ARPathway2016_741 Bispyribac-sodium 125401-92-5 DTXSID7034383 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].COC1=CC(OC)=NC(OC2=CC=CC(OC3=NC(OC)=CC(OC)=N3)=C2C([O-])=O)=N1 Bispyribac-sodium 125401-92-5|Bispyribac-sodium|603-066-4|Adora|Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt|Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt (1:1)|Bispyribac sodium|Designee|EC No.: 603-066-4|EPA Chemical Code 078906|KIH 2023|KIH-2023|Nanogen Index code is BPY (3-031)|Nominee|Nominee 400SC|PC 078906|PC Code 078906|Regiment|Short-keep|Sodium 2,6-bis(4,6-dimethoxy-2-pyrimidinyl)xoy)benzoate|sodium 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate|UNII-4NVB39F4NF|V 10029 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034383
ARPathway2016 ARPathway2016_741 Bispyribac-sodium 125401-92-5 DTXSID7034383 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].COC1=CC(OC)=NC(OC2=CC=CC(OC3=NC(OC)=CC(OC)=N3)=C2C([O-])=O)=N1 Bispyribac-sodium 125401-92-5|Bispyribac-sodium|603-066-4|Adora|Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt|Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt (1:1)|Bispyribac sodium|Designee|EC No.: 603-066-4|EPA Chemical Code 078906|KIH 2023|KIH-2023|Nanogen Index code is BPY (3-031)|Nominee|Nominee 400SC|PC 078906|PC Code 078906|Regiment|Short-keep|Sodium 2,6-bis(4,6-dimethoxy-2-pyrimidinyl)xoy)benzoate|sodium 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate|UNII-4NVB39F4NF|V 10029 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034383
ARPathway2016 ARPathway2016_741 Bispyribac-sodium 125401-92-5 DTXSID7034383 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].COC1=CC(OC)=NC(OC2=CC=CC(OC3=NC(OC)=CC(OC)=N3)=C2C([O-])=O)=N1 Bispyribac-sodium 125401-92-5|Bispyribac-sodium|603-066-4|Adora|Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt|Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt (1:1)|Bispyribac sodium|Designee|EC No.: 603-066-4|EPA Chemical Code 078906|KIH 2023|KIH-2023|Nanogen Index code is BPY (3-031)|Nominee|Nominee 400SC|PC 078906|PC Code 078906|Regiment|Short-keep|Sodium 2,6-bis(4,6-dimethoxy-2-pyrimidinyl)xoy)benzoate|sodium 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate|UNII-4NVB39F4NF|V 10029 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034383
ERPathway2016 ERPathway2016_1252 Bispyribac-sodium 125401-92-5 DTXSID7034383 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].COC1=CC(OC)=NC(OC2=CC=CC(OC3=NC(OC)=CC(OC)=N3)=C2C([O-])=O)=N1 Bispyribac-sodium 125401-92-5|Bispyribac-sodium|603-066-4|Adora|Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt|Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt (1:1)|Bispyribac sodium|Designee|EC No.: 603-066-4|EPA Chemical Code 078906|KIH 2023|KIH-2023|Nanogen Index code is BPY (3-031)|Nominee|Nominee 400SC|PC 078906|PC Code 078906|Regiment|Short-keep|Sodium 2,6-bis(4,6-dimethoxy-2-pyrimidinyl)xoy)benzoate|sodium 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate|UNII-4NVB39F4NF|V 10029 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034383
ERPathway2016 ERPathway2016_1252 Bispyribac-sodium 125401-92-5 DTXSID7034383 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].COC1=CC(OC)=NC(OC2=CC=CC(OC3=NC(OC)=CC(OC)=N3)=C2C([O-])=O)=N1 Bispyribac-sodium 125401-92-5|Bispyribac-sodium|603-066-4|Adora|Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt|Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt (1:1)|Bispyribac sodium|Designee|EC No.: 603-066-4|EPA Chemical Code 078906|KIH 2023|KIH-2023|Nanogen Index code is BPY (3-031)|Nominee|Nominee 400SC|PC 078906|PC Code 078906|Regiment|Short-keep|Sodium 2,6-bis(4,6-dimethoxy-2-pyrimidinyl)xoy)benzoate|sodium 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate|UNII-4NVB39F4NF|V 10029 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034383
ERPathway2016 ERPathway2016_1252 Bispyribac-sodium 125401-92-5 DTXSID7034383 ER Pathway Model, Agonist Call Inactive Unitless [Na+].COC1=CC(OC)=NC(OC2=CC=CC(OC3=NC(OC)=CC(OC)=N3)=C2C([O-])=O)=N1 Bispyribac-sodium 125401-92-5|Bispyribac-sodium|603-066-4|Adora|Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt|Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt (1:1)|Bispyribac sodium|Designee|EC No.: 603-066-4|EPA Chemical Code 078906|KIH 2023|KIH-2023|Nanogen Index code is BPY (3-031)|Nominee|Nominee 400SC|PC 078906|PC Code 078906|Regiment|Short-keep|Sodium 2,6-bis(4,6-dimethoxy-2-pyrimidinyl)xoy)benzoate|sodium 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate|UNII-4NVB39F4NF|V 10029 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034383
ERPathway2016 ERPathway2016_1252 Bispyribac-sodium 125401-92-5 DTXSID7034383 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].COC1=CC(OC)=NC(OC2=CC=CC(OC3=NC(OC)=CC(OC)=N3)=C2C([O-])=O)=N1 Bispyribac-sodium 125401-92-5|Bispyribac-sodium|603-066-4|Adora|Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt|Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt (1:1)|Bispyribac sodium|Designee|EC No.: 603-066-4|EPA Chemical Code 078906|KIH 2023|KIH-2023|Nanogen Index code is BPY (3-031)|Nominee|Nominee 400SC|PC 078906|PC Code 078906|Regiment|Short-keep|Sodium 2,6-bis(4,6-dimethoxy-2-pyrimidinyl)xoy)benzoate|sodium 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate|UNII-4NVB39F4NF|V 10029 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034383
ARPathway2016 ARPathway2016_398 Boric acid (H3BO3) 10043-35-3 DTXSID1020194 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OB(O)O Boric acid (H3BO3) 10043-35-3|Boric acid (H3BO3)|Acide borique|acido borico natural, conteniendo como maximo 85 por ciento de BO3H3 sobre producto seco|Basilit B|Boracic acid|Boric acid|Boric acid (B(OH)3)|Borofax|Boron hydroxide|Boron trihydroxide|BORSAEURE|Borsaure|Bortrac|Bushwhacker|Caswell No. 109|CB BORid|component of Aci-Jel|Dia Flea-Mate|Dr.'s 1 Flea Terminator DF|Dr.'s 1 Flea Terminator DFPBO|Dr.'s 1 Flea Terminator DT|Dr.'s 1 Flea Terminator DTPBO|EINECS 233-139-2|Entimaden|EPA Pesticide Chemical Code 011001|Flea Prufe|NCI-C56417|Niban|Niban Granular Bait|Niban-FG|Nitrate balancer|NSC 81726|Optibor|Optibor TP|ORTHOBARIC ACID|Orthoboric acid|Orthoboric acid (B(OH)3)|Orthoboric acid (H3BO3)|Orthoborsaeure|Roach Away|Roach Prufe|Super Flea Eliminator|Trihydroxyborane|Trihydroxyborone|12795-04-9|2253722-08-4|30698-98-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020194 https://doi.org/10.22427/NTP-DATA-DTXSID1020194
ARPathway2016 ARPathway2016_398 Boric acid (H3BO3) 10043-35-3 DTXSID1020194 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OB(O)O Boric acid (H3BO3) 10043-35-3|Boric acid (H3BO3)|Acide borique|acido borico natural, conteniendo como maximo 85 por ciento de BO3H3 sobre producto seco|Basilit B|Boracic acid|Boric acid|Boric acid (B(OH)3)|Borofax|Boron hydroxide|Boron trihydroxide|BORSAEURE|Borsaure|Bortrac|Bushwhacker|Caswell No. 109|CB BORid|component of Aci-Jel|Dia Flea-Mate|Dr.'s 1 Flea Terminator DF|Dr.'s 1 Flea Terminator DFPBO|Dr.'s 1 Flea Terminator DT|Dr.'s 1 Flea Terminator DTPBO|EINECS 233-139-2|Entimaden|EPA Pesticide Chemical Code 011001|Flea Prufe|NCI-C56417|Niban|Niban Granular Bait|Niban-FG|Nitrate balancer|NSC 81726|Optibor|Optibor TP|ORTHOBARIC ACID|Orthoboric acid|Orthoboric acid (B(OH)3)|Orthoboric acid (H3BO3)|Orthoborsaeure|Roach Away|Roach Prufe|Super Flea Eliminator|Trihydroxyborane|Trihydroxyborone|12795-04-9|2253722-08-4|30698-98-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020194 https://doi.org/10.22427/NTP-DATA-DTXSID1020194
ARPathway2016 ARPathway2016_398 Boric acid (H3BO3) 10043-35-3 DTXSID1020194 0.0 AR Pathway Model, Agonist Call Inactive Unitless OB(O)O Boric acid (H3BO3) 10043-35-3|Boric acid (H3BO3)|Acide borique|acido borico natural, conteniendo como maximo 85 por ciento de BO3H3 sobre producto seco|Basilit B|Boracic acid|Boric acid|Boric acid (B(OH)3)|Borofax|Boron hydroxide|Boron trihydroxide|BORSAEURE|Borsaure|Bortrac|Bushwhacker|Caswell No. 109|CB BORid|component of Aci-Jel|Dia Flea-Mate|Dr.'s 1 Flea Terminator DF|Dr.'s 1 Flea Terminator DFPBO|Dr.'s 1 Flea Terminator DT|Dr.'s 1 Flea Terminator DTPBO|EINECS 233-139-2|Entimaden|EPA Pesticide Chemical Code 011001|Flea Prufe|NCI-C56417|Niban|Niban Granular Bait|Niban-FG|Nitrate balancer|NSC 81726|Optibor|Optibor TP|ORTHOBARIC ACID|Orthoboric acid|Orthoboric acid (B(OH)3)|Orthoboric acid (H3BO3)|Orthoborsaeure|Roach Away|Roach Prufe|Super Flea Eliminator|Trihydroxyborane|Trihydroxyborone|12795-04-9|2253722-08-4|30698-98-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020194 https://doi.org/10.22427/NTP-DATA-DTXSID1020194
ARPathway2016 ARPathway2016_398 Boric acid (H3BO3) 10043-35-3 DTXSID1020194 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OB(O)O Boric acid (H3BO3) 10043-35-3|Boric acid (H3BO3)|Acide borique|acido borico natural, conteniendo como maximo 85 por ciento de BO3H3 sobre producto seco|Basilit B|Boracic acid|Boric acid|Boric acid (B(OH)3)|Borofax|Boron hydroxide|Boron trihydroxide|BORSAEURE|Borsaure|Bortrac|Bushwhacker|Caswell No. 109|CB BORid|component of Aci-Jel|Dia Flea-Mate|Dr.'s 1 Flea Terminator DF|Dr.'s 1 Flea Terminator DFPBO|Dr.'s 1 Flea Terminator DT|Dr.'s 1 Flea Terminator DTPBO|EINECS 233-139-2|Entimaden|EPA Pesticide Chemical Code 011001|Flea Prufe|NCI-C56417|Niban|Niban Granular Bait|Niban-FG|Nitrate balancer|NSC 81726|Optibor|Optibor TP|ORTHOBARIC ACID|Orthoboric acid|Orthoboric acid (B(OH)3)|Orthoboric acid (H3BO3)|Orthoborsaeure|Roach Away|Roach Prufe|Super Flea Eliminator|Trihydroxyborane|Trihydroxyborone|12795-04-9|2253722-08-4|30698-98-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020194 https://doi.org/10.22427/NTP-DATA-DTXSID1020194
ERPathway2016 ERPathway2016_1055 Boric acid (H3BO3) 10043-35-3 DTXSID1020194 ER Pathway Model, Agonist Model Score 0 Unitless OB(O)O Boric acid (H3BO3) 10043-35-3|Boric acid (H3BO3)|Acide borique|acido borico natural, conteniendo como maximo 85 por ciento de BO3H3 sobre producto seco|Basilit B|Boracic acid|Boric acid|Boric acid (B(OH)3)|Borofax|Boron hydroxide|Boron trihydroxide|BORSAEURE|Borsaure|Bortrac|Bushwhacker|Caswell No. 109|CB BORid|component of Aci-Jel|Dia Flea-Mate|Dr.'s 1 Flea Terminator DF|Dr.'s 1 Flea Terminator DFPBO|Dr.'s 1 Flea Terminator DT|Dr.'s 1 Flea Terminator DTPBO|EINECS 233-139-2|Entimaden|EPA Pesticide Chemical Code 011001|Flea Prufe|NCI-C56417|Niban|Niban Granular Bait|Niban-FG|Nitrate balancer|NSC 81726|Optibor|Optibor TP|ORTHOBARIC ACID|Orthoboric acid|Orthoboric acid (B(OH)3)|Orthoboric acid (H3BO3)|Orthoborsaeure|Roach Away|Roach Prufe|Super Flea Eliminator|Trihydroxyborane|Trihydroxyborone|12795-04-9|2253722-08-4|30698-98-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020194 https://doi.org/10.22427/NTP-DATA-DTXSID1020194
ERPathway2016 ERPathway2016_1055 Boric acid (H3BO3) 10043-35-3 DTXSID1020194 ER Pathway Model, Antagonist Model Score 0 Unitless OB(O)O Boric acid (H3BO3) 10043-35-3|Boric acid (H3BO3)|Acide borique|acido borico natural, conteniendo como maximo 85 por ciento de BO3H3 sobre producto seco|Basilit B|Boracic acid|Boric acid|Boric acid (B(OH)3)|Borofax|Boron hydroxide|Boron trihydroxide|BORSAEURE|Borsaure|Bortrac|Bushwhacker|Caswell No. 109|CB BORid|component of Aci-Jel|Dia Flea-Mate|Dr.'s 1 Flea Terminator DF|Dr.'s 1 Flea Terminator DFPBO|Dr.'s 1 Flea Terminator DT|Dr.'s 1 Flea Terminator DTPBO|EINECS 233-139-2|Entimaden|EPA Pesticide Chemical Code 011001|Flea Prufe|NCI-C56417|Niban|Niban Granular Bait|Niban-FG|Nitrate balancer|NSC 81726|Optibor|Optibor TP|ORTHOBARIC ACID|Orthoboric acid|Orthoboric acid (B(OH)3)|Orthoboric acid (H3BO3)|Orthoborsaeure|Roach Away|Roach Prufe|Super Flea Eliminator|Trihydroxyborane|Trihydroxyborone|12795-04-9|2253722-08-4|30698-98-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020194 https://doi.org/10.22427/NTP-DATA-DTXSID1020194
ERPathway2016 ERPathway2016_1055 Boric acid (H3BO3) 10043-35-3 DTXSID1020194 ER Pathway Model, Agonist Call Inactive Unitless OB(O)O Boric acid (H3BO3) 10043-35-3|Boric acid (H3BO3)|Acide borique|acido borico natural, conteniendo como maximo 85 por ciento de BO3H3 sobre producto seco|Basilit B|Boracic acid|Boric acid|Boric acid (B(OH)3)|Borofax|Boron hydroxide|Boron trihydroxide|BORSAEURE|Borsaure|Bortrac|Bushwhacker|Caswell No. 109|CB BORid|component of Aci-Jel|Dia Flea-Mate|Dr.'s 1 Flea Terminator DF|Dr.'s 1 Flea Terminator DFPBO|Dr.'s 1 Flea Terminator DT|Dr.'s 1 Flea Terminator DTPBO|EINECS 233-139-2|Entimaden|EPA Pesticide Chemical Code 011001|Flea Prufe|NCI-C56417|Niban|Niban Granular Bait|Niban-FG|Nitrate balancer|NSC 81726|Optibor|Optibor TP|ORTHOBARIC ACID|Orthoboric acid|Orthoboric acid (B(OH)3)|Orthoboric acid (H3BO3)|Orthoborsaeure|Roach Away|Roach Prufe|Super Flea Eliminator|Trihydroxyborane|Trihydroxyborone|12795-04-9|2253722-08-4|30698-98-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020194 https://doi.org/10.22427/NTP-DATA-DTXSID1020194
ERPathway2016 ERPathway2016_1055 Boric acid (H3BO3) 10043-35-3 DTXSID1020194 ER Pathway Model, Antagonist Call Inactive Unitless OB(O)O Boric acid (H3BO3) 10043-35-3|Boric acid (H3BO3)|Acide borique|acido borico natural, conteniendo como maximo 85 por ciento de BO3H3 sobre producto seco|Basilit B|Boracic acid|Boric acid|Boric acid (B(OH)3)|Borofax|Boron hydroxide|Boron trihydroxide|BORSAEURE|Borsaure|Bortrac|Bushwhacker|Caswell No. 109|CB BORid|component of Aci-Jel|Dia Flea-Mate|Dr.'s 1 Flea Terminator DF|Dr.'s 1 Flea Terminator DFPBO|Dr.'s 1 Flea Terminator DT|Dr.'s 1 Flea Terminator DTPBO|EINECS 233-139-2|Entimaden|EPA Pesticide Chemical Code 011001|Flea Prufe|NCI-C56417|Niban|Niban Granular Bait|Niban-FG|Nitrate balancer|NSC 81726|Optibor|Optibor TP|ORTHOBARIC ACID|Orthoboric acid|Orthoboric acid (B(OH)3)|Orthoboric acid (H3BO3)|Orthoborsaeure|Roach Away|Roach Prufe|Super Flea Eliminator|Trihydroxyborane|Trihydroxyborone|12795-04-9|2253722-08-4|30698-98-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020194 https://doi.org/10.22427/NTP-DATA-DTXSID1020194
ARPathway2016 ARPathway2016_957 Boscalid 188425-85-6 DTXSID6034392 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=C(C=C1)C1=C(NC(=O)C2=C(Cl)N=CC=C2)C=CC=C1 Boscalid 188425-85-6|Boscalid|2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide|2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)pyridine-3-carboxamide|2-Chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide|2-Chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide|2-Chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide|2-Chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide|3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-|3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-|Anilide|BAS 510 F|Cantus|Emerald|Emerald (fungicide)|Endura|F 510|Filan|Nicobifen|UNII-32MS8ZRD1V https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034392
ARPathway2016 ARPathway2016_957 Boscalid 188425-85-6 DTXSID6034392 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=C(C=C1)C1=C(NC(=O)C2=C(Cl)N=CC=C2)C=CC=C1 Boscalid 188425-85-6|Boscalid|2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide|2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)pyridine-3-carboxamide|2-Chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide|2-Chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide|2-Chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide|2-Chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide|3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-|3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-|Anilide|BAS 510 F|Cantus|Emerald|Emerald (fungicide)|Endura|F 510|Filan|Nicobifen|UNII-32MS8ZRD1V https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034392
ARPathway2016 ARPathway2016_957 Boscalid 188425-85-6 DTXSID6034392 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC1=CC=C(C=C1)C1=C(NC(=O)C2=C(Cl)N=CC=C2)C=CC=C1 Boscalid 188425-85-6|Boscalid|2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide|2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)pyridine-3-carboxamide|2-Chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide|2-Chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide|2-Chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide|2-Chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide|3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-|3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-|Anilide|BAS 510 F|Cantus|Emerald|Emerald (fungicide)|Endura|F 510|Filan|Nicobifen|UNII-32MS8ZRD1V https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034392
ARPathway2016 ARPathway2016_957 Boscalid 188425-85-6 DTXSID6034392 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=C(C=C1)C1=C(NC(=O)C2=C(Cl)N=CC=C2)C=CC=C1 Boscalid 188425-85-6|Boscalid|2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide|2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)pyridine-3-carboxamide|2-Chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide|2-Chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide|2-Chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide|2-Chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide|3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-|3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-|Anilide|BAS 510 F|Cantus|Emerald|Emerald (fungicide)|Endura|F 510|Filan|Nicobifen|UNII-32MS8ZRD1V https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034392
ERPathway2016 ERPathway2016_1356 Boscalid 188425-85-6 DTXSID6034392 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=C(C=C1)C1=C(NC(=O)C2=C(Cl)N=CC=C2)C=CC=C1 Boscalid 188425-85-6|Boscalid|2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide|2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)pyridine-3-carboxamide|2-Chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide|2-Chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide|2-Chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide|2-Chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide|3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-|3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-|Anilide|BAS 510 F|Cantus|Emerald|Emerald (fungicide)|Endura|F 510|Filan|Nicobifen|UNII-32MS8ZRD1V https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034392
ERPathway2016 ERPathway2016_1356 Boscalid 188425-85-6 DTXSID6034392 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=C(C=C1)C1=C(NC(=O)C2=C(Cl)N=CC=C2)C=CC=C1 Boscalid 188425-85-6|Boscalid|2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide|2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)pyridine-3-carboxamide|2-Chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide|2-Chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide|2-Chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide|2-Chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide|3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-|3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-|Anilide|BAS 510 F|Cantus|Emerald|Emerald (fungicide)|Endura|F 510|Filan|Nicobifen|UNII-32MS8ZRD1V https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034392
ERPathway2016 ERPathway2016_1356 Boscalid 188425-85-6 DTXSID6034392 ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC=C(C=C1)C1=C(NC(=O)C2=C(Cl)N=CC=C2)C=CC=C1 Boscalid 188425-85-6|Boscalid|2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide|2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)pyridine-3-carboxamide|2-Chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide|2-Chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide|2-Chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide|2-Chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide|3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-|3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-|Anilide|BAS 510 F|Cantus|Emerald|Emerald (fungicide)|Endura|F 510|Filan|Nicobifen|UNII-32MS8ZRD1V https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034392
ERPathway2016 ERPathway2016_1356 Boscalid 188425-85-6 DTXSID6034392 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=C(C=C1)C1=C(NC(=O)C2=C(Cl)N=CC=C2)C=CC=C1 Boscalid 188425-85-6|Boscalid|2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide|2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)pyridine-3-carboxamide|2-Chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide|2-Chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide|2-Chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide|2-Chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide|3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-|3-Pyridinecarboxamide, 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-|Anilide|BAS 510 F|Cantus|Emerald|Emerald (fungicide)|Endura|F 510|Filan|Nicobifen|UNII-32MS8ZRD1V https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034392
ARPathway2016 ARPathway2016_1135 Bromacil 314-40-9 DTXSID4022020 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(C)N1C(=O)NC(C)=C(Br)C1=O Bromacil 314-40-9|Bromacil|(.+-.)-Bromacil|2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methyl propyl)-|2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylpropyl)-|3-sec-Butyl-5-bromo-6-methyluracil|3-sek.Butyl-5-brom-6-methyluracil|5-24-07-00040|5-Bromo-3-sec-butyl-6-methyl uracil|5-Bromo-3-sec-butyl-6-methyl-uracil|5-Bromo-3-sec-butyl-6-methyluracil|5-Bromo-6-methyl-3-(1-methyl-n-propyl)uracil|5-Bromo-6-methyl-3-(1-methylpropyl) uracil|5-Bromo-6-methyl-3-(1-methylpropyl)-2,4(1H,3H)-pyrimidinedione|5-Bromo-6-methyl-3-(1-methylpropyl)uracil|5-Bromo-6-methyl-3-sec-butyluracil|Borocil|BRN 0647896|bromacilo|Caswell No. 111|Cynogan|Du Pont herbicide 976|Eerex Granular Weed Killer|Eerex Water Soluble Concentrate Weed Killer|EINECS 206-245-1|EPA Pesticide Chemical Code 012301|Herbicide 976|Hyvar X|Hyvar X bromacil|Hyvar X Weed Killer|Hyvar X-L|Hyvar X-WS|Hyvar-X Weed Killer|Hyvar-xl Weed Killer|Hyvarex|Istemul|Krovar I Weed Killer|Krovar II|Krovar II Weed Killer|UNII-I048FFR2J0|URACIL, 5-BROMO-3-SEC-BUTYL-6-METHYL-|Urox ha|Urox HX||154670-12-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022020
ARPathway2016 ARPathway2016_1135 Bromacil 314-40-9 DTXSID4022020 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)N1C(=O)NC(C)=C(Br)C1=O Bromacil 314-40-9|Bromacil|(.+-.)-Bromacil|2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methyl propyl)-|2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylpropyl)-|3-sec-Butyl-5-bromo-6-methyluracil|3-sek.Butyl-5-brom-6-methyluracil|5-24-07-00040|5-Bromo-3-sec-butyl-6-methyl uracil|5-Bromo-3-sec-butyl-6-methyl-uracil|5-Bromo-3-sec-butyl-6-methyluracil|5-Bromo-6-methyl-3-(1-methyl-n-propyl)uracil|5-Bromo-6-methyl-3-(1-methylpropyl) uracil|5-Bromo-6-methyl-3-(1-methylpropyl)-2,4(1H,3H)-pyrimidinedione|5-Bromo-6-methyl-3-(1-methylpropyl)uracil|5-Bromo-6-methyl-3-sec-butyluracil|Borocil|BRN 0647896|bromacilo|Caswell No. 111|Cynogan|Du Pont herbicide 976|Eerex Granular Weed Killer|Eerex Water Soluble Concentrate Weed Killer|EINECS 206-245-1|EPA Pesticide Chemical Code 012301|Herbicide 976|Hyvar X|Hyvar X bromacil|Hyvar X Weed Killer|Hyvar X-L|Hyvar X-WS|Hyvar-X Weed Killer|Hyvar-xl Weed Killer|Hyvarex|Istemul|Krovar I Weed Killer|Krovar II|Krovar II Weed Killer|UNII-I048FFR2J0|URACIL, 5-BROMO-3-SEC-BUTYL-6-METHYL-|Urox ha|Urox HX||154670-12-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022020
ARPathway2016 ARPathway2016_1135 Bromacil 314-40-9 DTXSID4022020 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC(C)N1C(=O)NC(C)=C(Br)C1=O Bromacil 314-40-9|Bromacil|(.+-.)-Bromacil|2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methyl propyl)-|2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylpropyl)-|3-sec-Butyl-5-bromo-6-methyluracil|3-sek.Butyl-5-brom-6-methyluracil|5-24-07-00040|5-Bromo-3-sec-butyl-6-methyl uracil|5-Bromo-3-sec-butyl-6-methyl-uracil|5-Bromo-3-sec-butyl-6-methyluracil|5-Bromo-6-methyl-3-(1-methyl-n-propyl)uracil|5-Bromo-6-methyl-3-(1-methylpropyl) uracil|5-Bromo-6-methyl-3-(1-methylpropyl)-2,4(1H,3H)-pyrimidinedione|5-Bromo-6-methyl-3-(1-methylpropyl)uracil|5-Bromo-6-methyl-3-sec-butyluracil|Borocil|BRN 0647896|bromacilo|Caswell No. 111|Cynogan|Du Pont herbicide 976|Eerex Granular Weed Killer|Eerex Water Soluble Concentrate Weed Killer|EINECS 206-245-1|EPA Pesticide Chemical Code 012301|Herbicide 976|Hyvar X|Hyvar X bromacil|Hyvar X Weed Killer|Hyvar X-L|Hyvar X-WS|Hyvar-X Weed Killer|Hyvar-xl Weed Killer|Hyvarex|Istemul|Krovar I Weed Killer|Krovar II|Krovar II Weed Killer|UNII-I048FFR2J0|URACIL, 5-BROMO-3-SEC-BUTYL-6-METHYL-|Urox ha|Urox HX||154670-12-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022020
ARPathway2016 ARPathway2016_1135 Bromacil 314-40-9 DTXSID4022020 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)N1C(=O)NC(C)=C(Br)C1=O Bromacil 314-40-9|Bromacil|(.+-.)-Bromacil|2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methyl propyl)-|2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylpropyl)-|3-sec-Butyl-5-bromo-6-methyluracil|3-sek.Butyl-5-brom-6-methyluracil|5-24-07-00040|5-Bromo-3-sec-butyl-6-methyl uracil|5-Bromo-3-sec-butyl-6-methyl-uracil|5-Bromo-3-sec-butyl-6-methyluracil|5-Bromo-6-methyl-3-(1-methyl-n-propyl)uracil|5-Bromo-6-methyl-3-(1-methylpropyl) uracil|5-Bromo-6-methyl-3-(1-methylpropyl)-2,4(1H,3H)-pyrimidinedione|5-Bromo-6-methyl-3-(1-methylpropyl)uracil|5-Bromo-6-methyl-3-sec-butyluracil|Borocil|BRN 0647896|bromacilo|Caswell No. 111|Cynogan|Du Pont herbicide 976|Eerex Granular Weed Killer|Eerex Water Soluble Concentrate Weed Killer|EINECS 206-245-1|EPA Pesticide Chemical Code 012301|Herbicide 976|Hyvar X|Hyvar X bromacil|Hyvar X Weed Killer|Hyvar X-L|Hyvar X-WS|Hyvar-X Weed Killer|Hyvar-xl Weed Killer|Hyvarex|Istemul|Krovar I Weed Killer|Krovar II|Krovar II Weed Killer|UNII-I048FFR2J0|URACIL, 5-BROMO-3-SEC-BUTYL-6-METHYL-|Urox ha|Urox HX||154670-12-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022020
ERPathway2016 ERPathway2016_1447 Bromacil 314-40-9 DTXSID4022020 ER Pathway Model, Agonist Model Score 0 Unitless CCC(C)N1C(=O)NC(C)=C(Br)C1=O Bromacil 314-40-9|Bromacil|(.+-.)-Bromacil|2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methyl propyl)-|2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylpropyl)-|3-sec-Butyl-5-bromo-6-methyluracil|3-sek.Butyl-5-brom-6-methyluracil|5-24-07-00040|5-Bromo-3-sec-butyl-6-methyl uracil|5-Bromo-3-sec-butyl-6-methyl-uracil|5-Bromo-3-sec-butyl-6-methyluracil|5-Bromo-6-methyl-3-(1-methyl-n-propyl)uracil|5-Bromo-6-methyl-3-(1-methylpropyl) uracil|5-Bromo-6-methyl-3-(1-methylpropyl)-2,4(1H,3H)-pyrimidinedione|5-Bromo-6-methyl-3-(1-methylpropyl)uracil|5-Bromo-6-methyl-3-sec-butyluracil|Borocil|BRN 0647896|bromacilo|Caswell No. 111|Cynogan|Du Pont herbicide 976|Eerex Granular Weed Killer|Eerex Water Soluble Concentrate Weed Killer|EINECS 206-245-1|EPA Pesticide Chemical Code 012301|Herbicide 976|Hyvar X|Hyvar X bromacil|Hyvar X Weed Killer|Hyvar X-L|Hyvar X-WS|Hyvar-X Weed Killer|Hyvar-xl Weed Killer|Hyvarex|Istemul|Krovar I Weed Killer|Krovar II|Krovar II Weed Killer|UNII-I048FFR2J0|URACIL, 5-BROMO-3-SEC-BUTYL-6-METHYL-|Urox ha|Urox HX||154670-12-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022020
ERPathway2016 ERPathway2016_1447 Bromacil 314-40-9 DTXSID4022020 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)N1C(=O)NC(C)=C(Br)C1=O Bromacil 314-40-9|Bromacil|(.+-.)-Bromacil|2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methyl propyl)-|2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylpropyl)-|3-sec-Butyl-5-bromo-6-methyluracil|3-sek.Butyl-5-brom-6-methyluracil|5-24-07-00040|5-Bromo-3-sec-butyl-6-methyl uracil|5-Bromo-3-sec-butyl-6-methyl-uracil|5-Bromo-3-sec-butyl-6-methyluracil|5-Bromo-6-methyl-3-(1-methyl-n-propyl)uracil|5-Bromo-6-methyl-3-(1-methylpropyl) uracil|5-Bromo-6-methyl-3-(1-methylpropyl)-2,4(1H,3H)-pyrimidinedione|5-Bromo-6-methyl-3-(1-methylpropyl)uracil|5-Bromo-6-methyl-3-sec-butyluracil|Borocil|BRN 0647896|bromacilo|Caswell No. 111|Cynogan|Du Pont herbicide 976|Eerex Granular Weed Killer|Eerex Water Soluble Concentrate Weed Killer|EINECS 206-245-1|EPA Pesticide Chemical Code 012301|Herbicide 976|Hyvar X|Hyvar X bromacil|Hyvar X Weed Killer|Hyvar X-L|Hyvar X-WS|Hyvar-X Weed Killer|Hyvar-xl Weed Killer|Hyvarex|Istemul|Krovar I Weed Killer|Krovar II|Krovar II Weed Killer|UNII-I048FFR2J0|URACIL, 5-BROMO-3-SEC-BUTYL-6-METHYL-|Urox ha|Urox HX||154670-12-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022020
ERPathway2016 ERPathway2016_1447 Bromacil 314-40-9 DTXSID4022020 ER Pathway Model, Agonist Call Inactive Unitless CCC(C)N1C(=O)NC(C)=C(Br)C1=O Bromacil 314-40-9|Bromacil|(.+-.)-Bromacil|2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methyl propyl)-|2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylpropyl)-|3-sec-Butyl-5-bromo-6-methyluracil|3-sek.Butyl-5-brom-6-methyluracil|5-24-07-00040|5-Bromo-3-sec-butyl-6-methyl uracil|5-Bromo-3-sec-butyl-6-methyl-uracil|5-Bromo-3-sec-butyl-6-methyluracil|5-Bromo-6-methyl-3-(1-methyl-n-propyl)uracil|5-Bromo-6-methyl-3-(1-methylpropyl) uracil|5-Bromo-6-methyl-3-(1-methylpropyl)-2,4(1H,3H)-pyrimidinedione|5-Bromo-6-methyl-3-(1-methylpropyl)uracil|5-Bromo-6-methyl-3-sec-butyluracil|Borocil|BRN 0647896|bromacilo|Caswell No. 111|Cynogan|Du Pont herbicide 976|Eerex Granular Weed Killer|Eerex Water Soluble Concentrate Weed Killer|EINECS 206-245-1|EPA Pesticide Chemical Code 012301|Herbicide 976|Hyvar X|Hyvar X bromacil|Hyvar X Weed Killer|Hyvar X-L|Hyvar X-WS|Hyvar-X Weed Killer|Hyvar-xl Weed Killer|Hyvarex|Istemul|Krovar I Weed Killer|Krovar II|Krovar II Weed Killer|UNII-I048FFR2J0|URACIL, 5-BROMO-3-SEC-BUTYL-6-METHYL-|Urox ha|Urox HX||154670-12-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022020
ERPathway2016 ERPathway2016_1447 Bromacil 314-40-9 DTXSID4022020 ER Pathway Model, Antagonist Call Inactive Unitless CCC(C)N1C(=O)NC(C)=C(Br)C1=O Bromacil 314-40-9|Bromacil|(.+-.)-Bromacil|2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methyl propyl)-|2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylpropyl)-|3-sec-Butyl-5-bromo-6-methyluracil|3-sek.Butyl-5-brom-6-methyluracil|5-24-07-00040|5-Bromo-3-sec-butyl-6-methyl uracil|5-Bromo-3-sec-butyl-6-methyl-uracil|5-Bromo-3-sec-butyl-6-methyluracil|5-Bromo-6-methyl-3-(1-methyl-n-propyl)uracil|5-Bromo-6-methyl-3-(1-methylpropyl) uracil|5-Bromo-6-methyl-3-(1-methylpropyl)-2,4(1H,3H)-pyrimidinedione|5-Bromo-6-methyl-3-(1-methylpropyl)uracil|5-Bromo-6-methyl-3-sec-butyluracil|Borocil|BRN 0647896|bromacilo|Caswell No. 111|Cynogan|Du Pont herbicide 976|Eerex Granular Weed Killer|Eerex Water Soluble Concentrate Weed Killer|EINECS 206-245-1|EPA Pesticide Chemical Code 012301|Herbicide 976|Hyvar X|Hyvar X bromacil|Hyvar X Weed Killer|Hyvar X-L|Hyvar X-WS|Hyvar-X Weed Killer|Hyvar-xl Weed Killer|Hyvarex|Istemul|Krovar I Weed Killer|Krovar II|Krovar II Weed Killer|UNII-I048FFR2J0|URACIL, 5-BROMO-3-SEC-BUTYL-6-METHYL-|Urox ha|Urox HX||154670-12-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022020
ARPathway2016 ARPathway2016_114 Bromocriptine mesylate 22260-51-1 DTXSID6020197 FLAG: Wrong direction (Hit/No hit) 2.0 Agonist AR Pathway Model, Agonist AC50 1.119322807 uM CS(O)(=O)=O.CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C Bromocriptine mesylate 22260-51-1|Bromocriptine mesylate|(+)-Bromocriptine methanesulfonate|(+)-Bromocriptine methanesulfonate salt|(5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate|2-Bromine-alpha-ergocryptine methanesulfonate|2-bromo-alpha-ergocryptine mesylate|2-Bromo-alpha-ergocryptine methanesulfonate|2-Bromo-alpha-ergokryptine-mesilate|2-Bromo-a-ergocryptine methanesulfonate salt|Bromergon|bromocriptine mesilate|bromocriptine methanesulfonate|Bromocryptine mesylate|Bromocryptine methanesulfonate|Cycloset|EINECS 244-881-1|Parlodel|Pravidel|UNII-FFP983J3OD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020197
ARPathway2016 ARPathway2016_114 Bromocriptine mesylate 22260-51-1 DTXSID6020197 FLAG: Wrong direction (Hit/No hit) 2.0 Agonist AR Pathway Model, Agonist ACC 1.17209606819917 uM CS(O)(=O)=O.CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C Bromocriptine mesylate 22260-51-1|Bromocriptine mesylate|(+)-Bromocriptine methanesulfonate|(+)-Bromocriptine methanesulfonate salt|(5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate|2-Bromine-alpha-ergocryptine methanesulfonate|2-bromo-alpha-ergocryptine mesylate|2-Bromo-alpha-ergocryptine methanesulfonate|2-Bromo-alpha-ergokryptine-mesilate|2-Bromo-a-ergocryptine methanesulfonate salt|Bromergon|bromocriptine mesilate|bromocriptine methanesulfonate|Bromocryptine mesylate|Bromocryptine methanesulfonate|Cycloset|EINECS 244-881-1|Parlodel|Pravidel|UNII-FFP983J3OD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020197
ARPathway2016 ARPathway2016_114 Bromocriptine mesylate 22260-51-1 DTXSID6020197 FLAG: Wrong direction (Hit/No hit) 2.0 Agonist AR Pathway Model, Antagonist Model Score 0.159 Unitless CS(O)(=O)=O.CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C Bromocriptine mesylate 22260-51-1|Bromocriptine mesylate|(+)-Bromocriptine methanesulfonate|(+)-Bromocriptine methanesulfonate salt|(5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate|2-Bromine-alpha-ergocryptine methanesulfonate|2-bromo-alpha-ergocryptine mesylate|2-Bromo-alpha-ergocryptine methanesulfonate|2-Bromo-alpha-ergokryptine-mesilate|2-Bromo-a-ergocryptine methanesulfonate salt|Bromergon|bromocriptine mesilate|bromocriptine methanesulfonate|Bromocryptine mesylate|Bromocryptine methanesulfonate|Cycloset|EINECS 244-881-1|Parlodel|Pravidel|UNII-FFP983J3OD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020197
ARPathway2016 ARPathway2016_114 Bromocriptine mesylate 22260-51-1 DTXSID6020197 FLAG: Wrong direction (Hit/No hit) 2.0 Agonist AR Pathway Model, Agonist Model Score 0.119 Unitless CS(O)(=O)=O.CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C Bromocriptine mesylate 22260-51-1|Bromocriptine mesylate|(+)-Bromocriptine methanesulfonate|(+)-Bromocriptine methanesulfonate salt|(5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate|2-Bromine-alpha-ergocryptine methanesulfonate|2-bromo-alpha-ergocryptine mesylate|2-Bromo-alpha-ergocryptine methanesulfonate|2-Bromo-alpha-ergokryptine-mesilate|2-Bromo-a-ergocryptine methanesulfonate salt|Bromergon|bromocriptine mesilate|bromocriptine methanesulfonate|Bromocryptine mesylate|Bromocryptine methanesulfonate|Cycloset|EINECS 244-881-1|Parlodel|Pravidel|UNII-FFP983J3OD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020197
ARPathway2016 ARPathway2016_114 Bromocriptine mesylate 22260-51-1 DTXSID6020197 FLAG: Wrong direction (Hit/No hit) 2.0 Agonist AR Pathway Model, Agonist Call Active Unitless CS(O)(=O)=O.CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C Bromocriptine mesylate 22260-51-1|Bromocriptine mesylate|(+)-Bromocriptine methanesulfonate|(+)-Bromocriptine methanesulfonate salt|(5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate|2-Bromine-alpha-ergocryptine methanesulfonate|2-bromo-alpha-ergocryptine mesylate|2-Bromo-alpha-ergocryptine methanesulfonate|2-Bromo-alpha-ergokryptine-mesilate|2-Bromo-a-ergocryptine methanesulfonate salt|Bromergon|bromocriptine mesilate|bromocriptine methanesulfonate|Bromocryptine mesylate|Bromocryptine methanesulfonate|Cycloset|EINECS 244-881-1|Parlodel|Pravidel|UNII-FFP983J3OD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020197
ARPathway2016 ARPathway2016_114 Bromocriptine mesylate 22260-51-1 DTXSID6020197 FLAG: Wrong direction (Hit/No hit) 2.0 Agonist AR Pathway Model, Antagonist Call Inactive Unitless CS(O)(=O)=O.CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C Bromocriptine mesylate 22260-51-1|Bromocriptine mesylate|(+)-Bromocriptine methanesulfonate|(+)-Bromocriptine methanesulfonate salt|(5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate|2-Bromine-alpha-ergocryptine methanesulfonate|2-bromo-alpha-ergocryptine mesylate|2-Bromo-alpha-ergocryptine methanesulfonate|2-Bromo-alpha-ergokryptine-mesilate|2-Bromo-a-ergocryptine methanesulfonate salt|Bromergon|bromocriptine mesilate|bromocriptine methanesulfonate|Bromocryptine mesylate|Bromocryptine methanesulfonate|Cycloset|EINECS 244-881-1|Parlodel|Pravidel|UNII-FFP983J3OD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020197
ERPathway2016 ERPathway2016_126 Bromocriptine mesylate 22260-51-1 DTXSID6020197 A3 ER Pathway Model, Agonist AC50 0.163581329007583 uM CS(O)(=O)=O.CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C Bromocriptine mesylate 22260-51-1|Bromocriptine mesylate|(+)-Bromocriptine methanesulfonate|(+)-Bromocriptine methanesulfonate salt|(5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate|2-Bromine-alpha-ergocryptine methanesulfonate|2-bromo-alpha-ergocryptine mesylate|2-Bromo-alpha-ergocryptine methanesulfonate|2-Bromo-alpha-ergokryptine-mesilate|2-Bromo-a-ergocryptine methanesulfonate salt|Bromergon|bromocriptine mesilate|bromocriptine methanesulfonate|Bromocryptine mesylate|Bromocryptine methanesulfonate|Cycloset|EINECS 244-881-1|Parlodel|Pravidel|UNII-FFP983J3OD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020197
ERPathway2016 ERPathway2016_126 Bromocriptine mesylate 22260-51-1 DTXSID6020197 A3 ER Pathway Model, Agonist ACC 0.164527045020566 uM CS(O)(=O)=O.CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C Bromocriptine mesylate 22260-51-1|Bromocriptine mesylate|(+)-Bromocriptine methanesulfonate|(+)-Bromocriptine methanesulfonate salt|(5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate|2-Bromine-alpha-ergocryptine methanesulfonate|2-bromo-alpha-ergocryptine mesylate|2-Bromo-alpha-ergocryptine methanesulfonate|2-Bromo-alpha-ergokryptine-mesilate|2-Bromo-a-ergocryptine methanesulfonate salt|Bromergon|bromocriptine mesilate|bromocriptine methanesulfonate|Bromocryptine mesylate|Bromocryptine methanesulfonate|Cycloset|EINECS 244-881-1|Parlodel|Pravidel|UNII-FFP983J3OD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020197
ERPathway2016 ERPathway2016_126 Bromocriptine mesylate 22260-51-1 DTXSID6020197 A3 ER Pathway Model, Agonist Model Score 0 Unitless CS(O)(=O)=O.CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C Bromocriptine mesylate 22260-51-1|Bromocriptine mesylate|(+)-Bromocriptine methanesulfonate|(+)-Bromocriptine methanesulfonate salt|(5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate|2-Bromine-alpha-ergocryptine methanesulfonate|2-bromo-alpha-ergocryptine mesylate|2-Bromo-alpha-ergocryptine methanesulfonate|2-Bromo-alpha-ergokryptine-mesilate|2-Bromo-a-ergocryptine methanesulfonate salt|Bromergon|bromocriptine mesilate|bromocriptine methanesulfonate|Bromocryptine mesylate|Bromocryptine methanesulfonate|Cycloset|EINECS 244-881-1|Parlodel|Pravidel|UNII-FFP983J3OD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020197
ERPathway2016 ERPathway2016_126 Bromocriptine mesylate 22260-51-1 DTXSID6020197 A3 ER Pathway Model, Antagonist Model Score 0.0351 Unitless CS(O)(=O)=O.CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C Bromocriptine mesylate 22260-51-1|Bromocriptine mesylate|(+)-Bromocriptine methanesulfonate|(+)-Bromocriptine methanesulfonate salt|(5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate|2-Bromine-alpha-ergocryptine methanesulfonate|2-bromo-alpha-ergocryptine mesylate|2-Bromo-alpha-ergocryptine methanesulfonate|2-Bromo-alpha-ergokryptine-mesilate|2-Bromo-a-ergocryptine methanesulfonate salt|Bromergon|bromocriptine mesilate|bromocriptine methanesulfonate|Bromocryptine mesylate|Bromocryptine methanesulfonate|Cycloset|EINECS 244-881-1|Parlodel|Pravidel|UNII-FFP983J3OD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020197
ERPathway2016 ERPathway2016_126 Bromocriptine mesylate 22260-51-1 DTXSID6020197 A3 ER Pathway Model, Agonist Call Active Unitless CS(O)(=O)=O.CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C Bromocriptine mesylate 22260-51-1|Bromocriptine mesylate|(+)-Bromocriptine methanesulfonate|(+)-Bromocriptine methanesulfonate salt|(5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate|2-Bromine-alpha-ergocryptine methanesulfonate|2-bromo-alpha-ergocryptine mesylate|2-Bromo-alpha-ergocryptine methanesulfonate|2-Bromo-alpha-ergokryptine-mesilate|2-Bromo-a-ergocryptine methanesulfonate salt|Bromergon|bromocriptine mesilate|bromocriptine methanesulfonate|Bromocryptine mesylate|Bromocryptine methanesulfonate|Cycloset|EINECS 244-881-1|Parlodel|Pravidel|UNII-FFP983J3OD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020197
ERPathway2016 ERPathway2016_126 Bromocriptine mesylate 22260-51-1 DTXSID6020197 A3 ER Pathway Model, Antagonist Call Inactive Unitless CS(O)(=O)=O.CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C Bromocriptine mesylate 22260-51-1|Bromocriptine mesylate|(+)-Bromocriptine methanesulfonate|(+)-Bromocriptine methanesulfonate salt|(5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate|2-Bromine-alpha-ergocryptine methanesulfonate|2-bromo-alpha-ergocryptine mesylate|2-Bromo-alpha-ergocryptine methanesulfonate|2-Bromo-alpha-ergokryptine-mesilate|2-Bromo-a-ergocryptine methanesulfonate salt|Bromergon|bromocriptine mesilate|bromocriptine methanesulfonate|Bromocryptine mesylate|Bromocryptine methanesulfonate|Cycloset|EINECS 244-881-1|Parlodel|Pravidel|UNII-FFP983J3OD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020197
ARPathway2016 ARPathway2016_24 Bromophenol blue 115-39-9 DTXSID6041682 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 4.74301705 uM OC1=C(Br)C=C(C=C1Br)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC(Br)=C(O)C(Br)=C1 Bromophenol blue 115-39-9|Bromophenol blue|3, 5, 3'', 5''-Tetrabromophenosulfophthalein|3,3',5,5'-Tetrabromophenolsulfonphthalein|3,3',5,5'-tetrabromophenolsulfophthalein|3',3'',5',5''-Tetrabromophenolsulfonephthalein|3',3'',5',5''-Tetrabromophenolsulfophthalein|4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis[2,6-dibromophenol]-S,S-dioxide|5-19-03-00458|Albutest|azul de tetrabromofenol|Bleu de tetrabromophenol|BRN 0061698|bromophenol blue, sultone form|Bromphenol blue|CRAON 17-510|EINECS 204-086-2|NSC 7818|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide|tetrabromophenol blue|TETRABROMOPHENOLSULFOPHTHALEIN|Tetrabromphenol Blue|Tetrabromphenolblau|UNII-0R2969YC90|1007629-43-7|1011401-24-3|1016316-66-7|1018123-58-4|1083043-33-7|134863-99-3|58296-21-2|61226-61-7|632-72-4|711007-29-3|784127-37-3|932977-58-7|952016-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041682
ARPathway2016 ARPathway2016_24 Bromophenol blue 115-39-9 DTXSID6041682 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 1.325491978 uM OC1=C(Br)C=C(C=C1Br)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC(Br)=C(O)C(Br)=C1 Bromophenol blue 115-39-9|Bromophenol blue|3, 5, 3'', 5''-Tetrabromophenosulfophthalein|3,3',5,5'-Tetrabromophenolsulfonphthalein|3,3',5,5'-tetrabromophenolsulfophthalein|3',3'',5',5''-Tetrabromophenolsulfonephthalein|3',3'',5',5''-Tetrabromophenolsulfophthalein|4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis[2,6-dibromophenol]-S,S-dioxide|5-19-03-00458|Albutest|azul de tetrabromofenol|Bleu de tetrabromophenol|BRN 0061698|bromophenol blue, sultone form|Bromphenol blue|CRAON 17-510|EINECS 204-086-2|NSC 7818|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide|tetrabromophenol blue|TETRABROMOPHENOLSULFOPHTHALEIN|Tetrabromphenol Blue|Tetrabromphenolblau|UNII-0R2969YC90|1007629-43-7|1011401-24-3|1016316-66-7|1018123-58-4|1083043-33-7|134863-99-3|58296-21-2|61226-61-7|632-72-4|711007-29-3|784127-37-3|932977-58-7|952016-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041682
ARPathway2016 ARPathway2016_24 Bromophenol blue 115-39-9 DTXSID6041682 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.232 Unitless OC1=C(Br)C=C(C=C1Br)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC(Br)=C(O)C(Br)=C1 Bromophenol blue 115-39-9|Bromophenol blue|3, 5, 3'', 5''-Tetrabromophenosulfophthalein|3,3',5,5'-Tetrabromophenolsulfonphthalein|3,3',5,5'-tetrabromophenolsulfophthalein|3',3'',5',5''-Tetrabromophenolsulfonephthalein|3',3'',5',5''-Tetrabromophenolsulfophthalein|4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis[2,6-dibromophenol]-S,S-dioxide|5-19-03-00458|Albutest|azul de tetrabromofenol|Bleu de tetrabromophenol|BRN 0061698|bromophenol blue, sultone form|Bromphenol blue|CRAON 17-510|EINECS 204-086-2|NSC 7818|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide|tetrabromophenol blue|TETRABROMOPHENOLSULFOPHTHALEIN|Tetrabromphenol Blue|Tetrabromphenolblau|UNII-0R2969YC90|1007629-43-7|1011401-24-3|1016316-66-7|1018123-58-4|1083043-33-7|134863-99-3|58296-21-2|61226-61-7|632-72-4|711007-29-3|784127-37-3|932977-58-7|952016-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041682
ARPathway2016 ARPathway2016_24 Bromophenol blue 115-39-9 DTXSID6041682 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0.0461 Unitless OC1=C(Br)C=C(C=C1Br)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC(Br)=C(O)C(Br)=C1 Bromophenol blue 115-39-9|Bromophenol blue|3, 5, 3'', 5''-Tetrabromophenosulfophthalein|3,3',5,5'-Tetrabromophenolsulfonphthalein|3,3',5,5'-tetrabromophenolsulfophthalein|3',3'',5',5''-Tetrabromophenolsulfonephthalein|3',3'',5',5''-Tetrabromophenolsulfophthalein|4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis[2,6-dibromophenol]-S,S-dioxide|5-19-03-00458|Albutest|azul de tetrabromofenol|Bleu de tetrabromophenol|BRN 0061698|bromophenol blue, sultone form|Bromphenol blue|CRAON 17-510|EINECS 204-086-2|NSC 7818|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide|tetrabromophenol blue|TETRABROMOPHENOLSULFOPHTHALEIN|Tetrabromphenol Blue|Tetrabromphenolblau|UNII-0R2969YC90|1007629-43-7|1011401-24-3|1016316-66-7|1018123-58-4|1083043-33-7|134863-99-3|58296-21-2|61226-61-7|632-72-4|711007-29-3|784127-37-3|932977-58-7|952016-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041682
ARPathway2016 ARPathway2016_24 Bromophenol blue 115-39-9 DTXSID6041682 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=C(Br)C=C(C=C1Br)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC(Br)=C(O)C(Br)=C1 Bromophenol blue 115-39-9|Bromophenol blue|3, 5, 3'', 5''-Tetrabromophenosulfophthalein|3,3',5,5'-Tetrabromophenolsulfonphthalein|3,3',5,5'-tetrabromophenolsulfophthalein|3',3'',5',5''-Tetrabromophenolsulfonephthalein|3',3'',5',5''-Tetrabromophenolsulfophthalein|4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis[2,6-dibromophenol]-S,S-dioxide|5-19-03-00458|Albutest|azul de tetrabromofenol|Bleu de tetrabromophenol|BRN 0061698|bromophenol blue, sultone form|Bromphenol blue|CRAON 17-510|EINECS 204-086-2|NSC 7818|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide|tetrabromophenol blue|TETRABROMOPHENOLSULFOPHTHALEIN|Tetrabromphenol Blue|Tetrabromphenolblau|UNII-0R2969YC90|1007629-43-7|1011401-24-3|1016316-66-7|1018123-58-4|1083043-33-7|134863-99-3|58296-21-2|61226-61-7|632-72-4|711007-29-3|784127-37-3|932977-58-7|952016-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041682
ARPathway2016 ARPathway2016_24 Bromophenol blue 115-39-9 DTXSID6041682 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(Br)C=C(C=C1Br)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC(Br)=C(O)C(Br)=C1 Bromophenol blue 115-39-9|Bromophenol blue|3, 5, 3'', 5''-Tetrabromophenosulfophthalein|3,3',5,5'-Tetrabromophenolsulfonphthalein|3,3',5,5'-tetrabromophenolsulfophthalein|3',3'',5',5''-Tetrabromophenolsulfonephthalein|3',3'',5',5''-Tetrabromophenolsulfophthalein|4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis[2,6-dibromophenol]-S,S-dioxide|5-19-03-00458|Albutest|azul de tetrabromofenol|Bleu de tetrabromophenol|BRN 0061698|bromophenol blue, sultone form|Bromphenol blue|CRAON 17-510|EINECS 204-086-2|NSC 7818|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide|tetrabromophenol blue|TETRABROMOPHENOLSULFOPHTHALEIN|Tetrabromphenol Blue|Tetrabromphenolblau|UNII-0R2969YC90|1007629-43-7|1011401-24-3|1016316-66-7|1018123-58-4|1083043-33-7|134863-99-3|58296-21-2|61226-61-7|632-72-4|711007-29-3|784127-37-3|932977-58-7|952016-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041682
ERPathway2016 ERPathway2016_108 Bromophenol blue 115-39-9 DTXSID6041682 A18 ER Pathway Model, Agonist AC50 20.8347568620169 uM OC1=C(Br)C=C(C=C1Br)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC(Br)=C(O)C(Br)=C1 Bromophenol blue 115-39-9|Bromophenol blue|3, 5, 3'', 5''-Tetrabromophenosulfophthalein|3,3',5,5'-Tetrabromophenolsulfonphthalein|3,3',5,5'-tetrabromophenolsulfophthalein|3',3'',5',5''-Tetrabromophenolsulfonephthalein|3',3'',5',5''-Tetrabromophenolsulfophthalein|4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis[2,6-dibromophenol]-S,S-dioxide|5-19-03-00458|Albutest|azul de tetrabromofenol|Bleu de tetrabromophenol|BRN 0061698|bromophenol blue, sultone form|Bromphenol blue|CRAON 17-510|EINECS 204-086-2|NSC 7818|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide|tetrabromophenol blue|TETRABROMOPHENOLSULFOPHTHALEIN|Tetrabromphenol Blue|Tetrabromphenolblau|UNII-0R2969YC90|1007629-43-7|1011401-24-3|1016316-66-7|1018123-58-4|1083043-33-7|134863-99-3|58296-21-2|61226-61-7|632-72-4|711007-29-3|784127-37-3|932977-58-7|952016-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041682
ERPathway2016 ERPathway2016_108 Bromophenol blue 115-39-9 DTXSID6041682 A18 ER Pathway Model, Agonist ACC 26.1726056233093 uM OC1=C(Br)C=C(C=C1Br)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC(Br)=C(O)C(Br)=C1 Bromophenol blue 115-39-9|Bromophenol blue|3, 5, 3'', 5''-Tetrabromophenosulfophthalein|3,3',5,5'-Tetrabromophenolsulfonphthalein|3,3',5,5'-tetrabromophenolsulfophthalein|3',3'',5',5''-Tetrabromophenolsulfonephthalein|3',3'',5',5''-Tetrabromophenolsulfophthalein|4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis[2,6-dibromophenol]-S,S-dioxide|5-19-03-00458|Albutest|azul de tetrabromofenol|Bleu de tetrabromophenol|BRN 0061698|bromophenol blue, sultone form|Bromphenol blue|CRAON 17-510|EINECS 204-086-2|NSC 7818|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide|tetrabromophenol blue|TETRABROMOPHENOLSULFOPHTHALEIN|Tetrabromphenol Blue|Tetrabromphenolblau|UNII-0R2969YC90|1007629-43-7|1011401-24-3|1016316-66-7|1018123-58-4|1083043-33-7|134863-99-3|58296-21-2|61226-61-7|632-72-4|711007-29-3|784127-37-3|932977-58-7|952016-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041682
ERPathway2016 ERPathway2016_108 Bromophenol blue 115-39-9 DTXSID6041682 A18 ER Pathway Model, Agonist Model Score 0 Unitless OC1=C(Br)C=C(C=C1Br)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC(Br)=C(O)C(Br)=C1 Bromophenol blue 115-39-9|Bromophenol blue|3, 5, 3'', 5''-Tetrabromophenosulfophthalein|3,3',5,5'-Tetrabromophenolsulfonphthalein|3,3',5,5'-tetrabromophenolsulfophthalein|3',3'',5',5''-Tetrabromophenolsulfonephthalein|3',3'',5',5''-Tetrabromophenolsulfophthalein|4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis[2,6-dibromophenol]-S,S-dioxide|5-19-03-00458|Albutest|azul de tetrabromofenol|Bleu de tetrabromophenol|BRN 0061698|bromophenol blue, sultone form|Bromphenol blue|CRAON 17-510|EINECS 204-086-2|NSC 7818|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide|tetrabromophenol blue|TETRABROMOPHENOLSULFOPHTHALEIN|Tetrabromphenol Blue|Tetrabromphenolblau|UNII-0R2969YC90|1007629-43-7|1011401-24-3|1016316-66-7|1018123-58-4|1083043-33-7|134863-99-3|58296-21-2|61226-61-7|632-72-4|711007-29-3|784127-37-3|932977-58-7|952016-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041682
ERPathway2016 ERPathway2016_108 Bromophenol blue 115-39-9 DTXSID6041682 A18 ER Pathway Model, Antagonist Model Score 0.0128 Unitless OC1=C(Br)C=C(C=C1Br)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC(Br)=C(O)C(Br)=C1 Bromophenol blue 115-39-9|Bromophenol blue|3, 5, 3'', 5''-Tetrabromophenosulfophthalein|3,3',5,5'-Tetrabromophenolsulfonphthalein|3,3',5,5'-tetrabromophenolsulfophthalein|3',3'',5',5''-Tetrabromophenolsulfonephthalein|3',3'',5',5''-Tetrabromophenolsulfophthalein|4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis[2,6-dibromophenol]-S,S-dioxide|5-19-03-00458|Albutest|azul de tetrabromofenol|Bleu de tetrabromophenol|BRN 0061698|bromophenol blue, sultone form|Bromphenol blue|CRAON 17-510|EINECS 204-086-2|NSC 7818|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide|tetrabromophenol blue|TETRABROMOPHENOLSULFOPHTHALEIN|Tetrabromphenol Blue|Tetrabromphenolblau|UNII-0R2969YC90|1007629-43-7|1011401-24-3|1016316-66-7|1018123-58-4|1083043-33-7|134863-99-3|58296-21-2|61226-61-7|632-72-4|711007-29-3|784127-37-3|932977-58-7|952016-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041682
ERPathway2016 ERPathway2016_108 Bromophenol blue 115-39-9 DTXSID6041682 A18 ER Pathway Model, Agonist Call Active Unitless OC1=C(Br)C=C(C=C1Br)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC(Br)=C(O)C(Br)=C1 Bromophenol blue 115-39-9|Bromophenol blue|3, 5, 3'', 5''-Tetrabromophenosulfophthalein|3,3',5,5'-Tetrabromophenolsulfonphthalein|3,3',5,5'-tetrabromophenolsulfophthalein|3',3'',5',5''-Tetrabromophenolsulfonephthalein|3',3'',5',5''-Tetrabromophenolsulfophthalein|4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis[2,6-dibromophenol]-S,S-dioxide|5-19-03-00458|Albutest|azul de tetrabromofenol|Bleu de tetrabromophenol|BRN 0061698|bromophenol blue, sultone form|Bromphenol blue|CRAON 17-510|EINECS 204-086-2|NSC 7818|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide|tetrabromophenol blue|TETRABROMOPHENOLSULFOPHTHALEIN|Tetrabromphenol Blue|Tetrabromphenolblau|UNII-0R2969YC90|1007629-43-7|1011401-24-3|1016316-66-7|1018123-58-4|1083043-33-7|134863-99-3|58296-21-2|61226-61-7|632-72-4|711007-29-3|784127-37-3|932977-58-7|952016-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041682
ERPathway2016 ERPathway2016_108 Bromophenol blue 115-39-9 DTXSID6041682 A18 ER Pathway Model, Antagonist Call Inactive Unitless OC1=C(Br)C=C(C=C1Br)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC(Br)=C(O)C(Br)=C1 Bromophenol blue 115-39-9|Bromophenol blue|3, 5, 3'', 5''-Tetrabromophenosulfophthalein|3,3',5,5'-Tetrabromophenolsulfonphthalein|3,3',5,5'-tetrabromophenolsulfophthalein|3',3'',5',5''-Tetrabromophenolsulfonephthalein|3',3'',5',5''-Tetrabromophenolsulfophthalein|4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis[2,6-dibromophenol]-S,S-dioxide|5-19-03-00458|Albutest|azul de tetrabromofenol|Bleu de tetrabromophenol|BRN 0061698|bromophenol blue, sultone form|Bromphenol blue|CRAON 17-510|EINECS 204-086-2|NSC 7818|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide|tetrabromophenol blue|TETRABROMOPHENOLSULFOPHTHALEIN|Tetrabromphenol Blue|Tetrabromphenolblau|UNII-0R2969YC90|1007629-43-7|1011401-24-3|1016316-66-7|1018123-58-4|1083043-33-7|134863-99-3|58296-21-2|61226-61-7|632-72-4|711007-29-3|784127-37-3|932977-58-7|952016-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041682
ARPathway2016 ARPathway2016_930 Bromoxynil 1689-84-5 DTXSID3022162 FLAG: Antagonist shift, but CI overlap 1.0 R6 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=C(Br)C=C(C=C1Br)C#N Bromoxynil 1689-84-5|Bromoxynil|1-Cyano-3,5-dibromo-4-hydroxybenzene|2,6-Dibromo-4-cyanophenol|3,5-Dibrom-4-hydroxybenzonitril|3,5-dibromo-4-hidroxibenzonitrilo|3,5-Dibromo-4-hydroxybenzonitril|3,5-Dibromo-4-hydroxybenzonitrile|3,5-Dibromo-4-hydroxyphenyl cyanide|3,5-Dibromo-4-hydroxyphenylcyanide|4-10-00-00475|4-Cyano-2,6-dibromophenol|4-Hydroxy-3,5-dibromobenzonitrile|Benzonitrile, 3,5-dibromo-4-hydroxy-|Brittox|BRN 2364039|Brominal|Brominal Industrial|Brominal Plus|Brominal Triple|Brominex|Brominil|Bromotril|Bromoxynil phenol|Broxynil|Buctril|Buctril industrial|Butil chlorofos|Butilchorofos|Caswell No. 119|Certrol B|Chipco buctril|Chipco crab-kleen|EINECS 216-882-7|EPA Pesticide Chemical Code 035301|Labuctril|Labuctril 25|Litarol M|ME 4 Brominal|Novacorn|NU-Lawn weeder|Oxytril M|Pardner|UNII-J46EK95K0P https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022162
ARPathway2016 ARPathway2016_930 Bromoxynil 1689-84-5 DTXSID3022162 FLAG: Antagonist shift, but CI overlap 1.0 R6 AR Pathway Model, Agonist Model Score 0 Unitless OC1=C(Br)C=C(C=C1Br)C#N Bromoxynil 1689-84-5|Bromoxynil|1-Cyano-3,5-dibromo-4-hydroxybenzene|2,6-Dibromo-4-cyanophenol|3,5-Dibrom-4-hydroxybenzonitril|3,5-dibromo-4-hidroxibenzonitrilo|3,5-Dibromo-4-hydroxybenzonitril|3,5-Dibromo-4-hydroxybenzonitrile|3,5-Dibromo-4-hydroxyphenyl cyanide|3,5-Dibromo-4-hydroxyphenylcyanide|4-10-00-00475|4-Cyano-2,6-dibromophenol|4-Hydroxy-3,5-dibromobenzonitrile|Benzonitrile, 3,5-dibromo-4-hydroxy-|Brittox|BRN 2364039|Brominal|Brominal Industrial|Brominal Plus|Brominal Triple|Brominex|Brominil|Bromotril|Bromoxynil phenol|Broxynil|Buctril|Buctril industrial|Butil chlorofos|Butilchorofos|Caswell No. 119|Certrol B|Chipco buctril|Chipco crab-kleen|EINECS 216-882-7|EPA Pesticide Chemical Code 035301|Labuctril|Labuctril 25|Litarol M|ME 4 Brominal|Novacorn|NU-Lawn weeder|Oxytril M|Pardner|UNII-J46EK95K0P https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022162
ARPathway2016 ARPathway2016_930 Bromoxynil 1689-84-5 DTXSID3022162 FLAG: Antagonist shift, but CI overlap 1.0 R6 AR Pathway Model, Agonist Call Inactive Unitless OC1=C(Br)C=C(C=C1Br)C#N Bromoxynil 1689-84-5|Bromoxynil|1-Cyano-3,5-dibromo-4-hydroxybenzene|2,6-Dibromo-4-cyanophenol|3,5-Dibrom-4-hydroxybenzonitril|3,5-dibromo-4-hidroxibenzonitrilo|3,5-Dibromo-4-hydroxybenzonitril|3,5-Dibromo-4-hydroxybenzonitrile|3,5-Dibromo-4-hydroxyphenyl cyanide|3,5-Dibromo-4-hydroxyphenylcyanide|4-10-00-00475|4-Cyano-2,6-dibromophenol|4-Hydroxy-3,5-dibromobenzonitrile|Benzonitrile, 3,5-dibromo-4-hydroxy-|Brittox|BRN 2364039|Brominal|Brominal Industrial|Brominal Plus|Brominal Triple|Brominex|Brominil|Bromotril|Bromoxynil phenol|Broxynil|Buctril|Buctril industrial|Butil chlorofos|Butilchorofos|Caswell No. 119|Certrol B|Chipco buctril|Chipco crab-kleen|EINECS 216-882-7|EPA Pesticide Chemical Code 035301|Labuctril|Labuctril 25|Litarol M|ME 4 Brominal|Novacorn|NU-Lawn weeder|Oxytril M|Pardner|UNII-J46EK95K0P https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022162
ARPathway2016 ARPathway2016_930 Bromoxynil 1689-84-5 DTXSID3022162 FLAG: Antagonist shift, but CI overlap 1.0 R6 AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(Br)C=C(C=C1Br)C#N Bromoxynil 1689-84-5|Bromoxynil|1-Cyano-3,5-dibromo-4-hydroxybenzene|2,6-Dibromo-4-cyanophenol|3,5-Dibrom-4-hydroxybenzonitril|3,5-dibromo-4-hidroxibenzonitrilo|3,5-Dibromo-4-hydroxybenzonitril|3,5-Dibromo-4-hydroxybenzonitrile|3,5-Dibromo-4-hydroxyphenyl cyanide|3,5-Dibromo-4-hydroxyphenylcyanide|4-10-00-00475|4-Cyano-2,6-dibromophenol|4-Hydroxy-3,5-dibromobenzonitrile|Benzonitrile, 3,5-dibromo-4-hydroxy-|Brittox|BRN 2364039|Brominal|Brominal Industrial|Brominal Plus|Brominal Triple|Brominex|Brominil|Bromotril|Bromoxynil phenol|Broxynil|Buctril|Buctril industrial|Butil chlorofos|Butilchorofos|Caswell No. 119|Certrol B|Chipco buctril|Chipco crab-kleen|EINECS 216-882-7|EPA Pesticide Chemical Code 035301|Labuctril|Labuctril 25|Litarol M|ME 4 Brominal|Novacorn|NU-Lawn weeder|Oxytril M|Pardner|UNII-J46EK95K0P https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022162
ERPathway2016 ERPathway2016_687 Bromoxynil 1689-84-5 DTXSID3022162 ER Pathway Model, Agonist Model Score 0 Unitless OC1=C(Br)C=C(C=C1Br)C#N Bromoxynil 1689-84-5|Bromoxynil|1-Cyano-3,5-dibromo-4-hydroxybenzene|2,6-Dibromo-4-cyanophenol|3,5-Dibrom-4-hydroxybenzonitril|3,5-dibromo-4-hidroxibenzonitrilo|3,5-Dibromo-4-hydroxybenzonitril|3,5-Dibromo-4-hydroxybenzonitrile|3,5-Dibromo-4-hydroxyphenyl cyanide|3,5-Dibromo-4-hydroxyphenylcyanide|4-10-00-00475|4-Cyano-2,6-dibromophenol|4-Hydroxy-3,5-dibromobenzonitrile|Benzonitrile, 3,5-dibromo-4-hydroxy-|Brittox|BRN 2364039|Brominal|Brominal Industrial|Brominal Plus|Brominal Triple|Brominex|Brominil|Bromotril|Bromoxynil phenol|Broxynil|Buctril|Buctril industrial|Butil chlorofos|Butilchorofos|Caswell No. 119|Certrol B|Chipco buctril|Chipco crab-kleen|EINECS 216-882-7|EPA Pesticide Chemical Code 035301|Labuctril|Labuctril 25|Litarol M|ME 4 Brominal|Novacorn|NU-Lawn weeder|Oxytril M|Pardner|UNII-J46EK95K0P https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022162
ERPathway2016 ERPathway2016_687 Bromoxynil 1689-84-5 DTXSID3022162 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C(Br)C=C(C=C1Br)C#N Bromoxynil 1689-84-5|Bromoxynil|1-Cyano-3,5-dibromo-4-hydroxybenzene|2,6-Dibromo-4-cyanophenol|3,5-Dibrom-4-hydroxybenzonitril|3,5-dibromo-4-hidroxibenzonitrilo|3,5-Dibromo-4-hydroxybenzonitril|3,5-Dibromo-4-hydroxybenzonitrile|3,5-Dibromo-4-hydroxyphenyl cyanide|3,5-Dibromo-4-hydroxyphenylcyanide|4-10-00-00475|4-Cyano-2,6-dibromophenol|4-Hydroxy-3,5-dibromobenzonitrile|Benzonitrile, 3,5-dibromo-4-hydroxy-|Brittox|BRN 2364039|Brominal|Brominal Industrial|Brominal Plus|Brominal Triple|Brominex|Brominil|Bromotril|Bromoxynil phenol|Broxynil|Buctril|Buctril industrial|Butil chlorofos|Butilchorofos|Caswell No. 119|Certrol B|Chipco buctril|Chipco crab-kleen|EINECS 216-882-7|EPA Pesticide Chemical Code 035301|Labuctril|Labuctril 25|Litarol M|ME 4 Brominal|Novacorn|NU-Lawn weeder|Oxytril M|Pardner|UNII-J46EK95K0P https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022162
ERPathway2016 ERPathway2016_687 Bromoxynil 1689-84-5 DTXSID3022162 ER Pathway Model, Agonist Call Inactive Unitless OC1=C(Br)C=C(C=C1Br)C#N Bromoxynil 1689-84-5|Bromoxynil|1-Cyano-3,5-dibromo-4-hydroxybenzene|2,6-Dibromo-4-cyanophenol|3,5-Dibrom-4-hydroxybenzonitril|3,5-dibromo-4-hidroxibenzonitrilo|3,5-Dibromo-4-hydroxybenzonitril|3,5-Dibromo-4-hydroxybenzonitrile|3,5-Dibromo-4-hydroxyphenyl cyanide|3,5-Dibromo-4-hydroxyphenylcyanide|4-10-00-00475|4-Cyano-2,6-dibromophenol|4-Hydroxy-3,5-dibromobenzonitrile|Benzonitrile, 3,5-dibromo-4-hydroxy-|Brittox|BRN 2364039|Brominal|Brominal Industrial|Brominal Plus|Brominal Triple|Brominex|Brominil|Bromotril|Bromoxynil phenol|Broxynil|Buctril|Buctril industrial|Butil chlorofos|Butilchorofos|Caswell No. 119|Certrol B|Chipco buctril|Chipco crab-kleen|EINECS 216-882-7|EPA Pesticide Chemical Code 035301|Labuctril|Labuctril 25|Litarol M|ME 4 Brominal|Novacorn|NU-Lawn weeder|Oxytril M|Pardner|UNII-J46EK95K0P https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022162
ERPathway2016 ERPathway2016_687 Bromoxynil 1689-84-5 DTXSID3022162 ER Pathway Model, Antagonist Call Inactive Unitless OC1=C(Br)C=C(C=C1Br)C#N Bromoxynil 1689-84-5|Bromoxynil|1-Cyano-3,5-dibromo-4-hydroxybenzene|2,6-Dibromo-4-cyanophenol|3,5-Dibrom-4-hydroxybenzonitril|3,5-dibromo-4-hidroxibenzonitrilo|3,5-Dibromo-4-hydroxybenzonitril|3,5-Dibromo-4-hydroxybenzonitrile|3,5-Dibromo-4-hydroxyphenyl cyanide|3,5-Dibromo-4-hydroxyphenylcyanide|4-10-00-00475|4-Cyano-2,6-dibromophenol|4-Hydroxy-3,5-dibromobenzonitrile|Benzonitrile, 3,5-dibromo-4-hydroxy-|Brittox|BRN 2364039|Brominal|Brominal Industrial|Brominal Plus|Brominal Triple|Brominex|Brominil|Bromotril|Bromoxynil phenol|Broxynil|Buctril|Buctril industrial|Butil chlorofos|Butilchorofos|Caswell No. 119|Certrol B|Chipco buctril|Chipco crab-kleen|EINECS 216-882-7|EPA Pesticide Chemical Code 035301|Labuctril|Labuctril 25|Litarol M|ME 4 Brominal|Novacorn|NU-Lawn weeder|Oxytril M|Pardner|UNII-J46EK95K0P https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022162
ARPathway2016 ARPathway2016_26 Bromuconazole 116255-48-2 DTXSID9032531 FLAG: Antagonist shift, but CI overlap 4.0 Antagonist AR Pathway Model, Agonist AC50 31.20348641 uM ClC1=CC(Cl)=C(C=C1)C1(CN2C=NC=N2)CC(Br)CO1 Bromuconazole 116255-48-2|Bromuconazole|1-((2RS,4RS,2RS,4SR)-4-Bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl)-1H-1,2,4-triazole|1-((4-Bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl]methyl]-|2,5-Anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol|CHIPCO Bromuconazole|Granit|Granit (pesticide)|LS 860263|Pentitol, 2,5-anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-|UNII-PHS29ZMZ81|Vectra|188992-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032531
ARPathway2016 ARPathway2016_26 Bromuconazole 116255-48-2 DTXSID9032531 FLAG: Antagonist shift, but CI overlap 4.0 Antagonist AR Pathway Model, Agonist ACC 32.90544862 uM ClC1=CC(Cl)=C(C=C1)C1(CN2C=NC=N2)CC(Br)CO1 Bromuconazole 116255-48-2|Bromuconazole|1-((2RS,4RS,2RS,4SR)-4-Bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl)-1H-1,2,4-triazole|1-((4-Bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl]methyl]-|2,5-Anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol|CHIPCO Bromuconazole|Granit|Granit (pesticide)|LS 860263|Pentitol, 2,5-anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-|UNII-PHS29ZMZ81|Vectra|188992-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032531
ARPathway2016 ARPathway2016_26 Bromuconazole 116255-48-2 DTXSID9032531 FLAG: Antagonist shift, but CI overlap 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.247 Unitless ClC1=CC(Cl)=C(C=C1)C1(CN2C=NC=N2)CC(Br)CO1 Bromuconazole 116255-48-2|Bromuconazole|1-((2RS,4RS,2RS,4SR)-4-Bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl)-1H-1,2,4-triazole|1-((4-Bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl]methyl]-|2,5-Anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol|CHIPCO Bromuconazole|Granit|Granit (pesticide)|LS 860263|Pentitol, 2,5-anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-|UNII-PHS29ZMZ81|Vectra|188992-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032531
ARPathway2016 ARPathway2016_26 Bromuconazole 116255-48-2 DTXSID9032531 FLAG: Antagonist shift, but CI overlap 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC(Cl)=C(C=C1)C1(CN2C=NC=N2)CC(Br)CO1 Bromuconazole 116255-48-2|Bromuconazole|1-((2RS,4RS,2RS,4SR)-4-Bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl)-1H-1,2,4-triazole|1-((4-Bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl]methyl]-|2,5-Anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol|CHIPCO Bromuconazole|Granit|Granit (pesticide)|LS 860263|Pentitol, 2,5-anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-|UNII-PHS29ZMZ81|Vectra|188992-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032531
ARPathway2016 ARPathway2016_26 Bromuconazole 116255-48-2 DTXSID9032531 FLAG: Antagonist shift, but CI overlap 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC1=CC(Cl)=C(C=C1)C1(CN2C=NC=N2)CC(Br)CO1 Bromuconazole 116255-48-2|Bromuconazole|1-((2RS,4RS,2RS,4SR)-4-Bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl)-1H-1,2,4-triazole|1-((4-Bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl]methyl]-|2,5-Anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol|CHIPCO Bromuconazole|Granit|Granit (pesticide)|LS 860263|Pentitol, 2,5-anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-|UNII-PHS29ZMZ81|Vectra|188992-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032531
ARPathway2016 ARPathway2016_26 Bromuconazole 116255-48-2 DTXSID9032531 FLAG: Antagonist shift, but CI overlap 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC(Cl)=C(C=C1)C1(CN2C=NC=N2)CC(Br)CO1 Bromuconazole 116255-48-2|Bromuconazole|1-((2RS,4RS,2RS,4SR)-4-Bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl)-1H-1,2,4-triazole|1-((4-Bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl]methyl]-|2,5-Anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol|CHIPCO Bromuconazole|Granit|Granit (pesticide)|LS 860263|Pentitol, 2,5-anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-|UNII-PHS29ZMZ81|Vectra|188992-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032531
ERPathway2016 ERPathway2016_677 Bromuconazole 116255-48-2 DTXSID9032531 R6 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=CC(Cl)=C(C=C1)C1(CN2C=NC=N2)CC(Br)CO1 Bromuconazole 116255-48-2|Bromuconazole|1-((2RS,4RS,2RS,4SR)-4-Bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl)-1H-1,2,4-triazole|1-((4-Bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl]methyl]-|2,5-Anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol|CHIPCO Bromuconazole|Granit|Granit (pesticide)|LS 860263|Pentitol, 2,5-anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-|UNII-PHS29ZMZ81|Vectra|188992-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032531
ERPathway2016 ERPathway2016_677 Bromuconazole 116255-48-2 DTXSID9032531 R6 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC(Cl)=C(C=C1)C1(CN2C=NC=N2)CC(Br)CO1 Bromuconazole 116255-48-2|Bromuconazole|1-((2RS,4RS,2RS,4SR)-4-Bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl)-1H-1,2,4-triazole|1-((4-Bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl]methyl]-|2,5-Anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol|CHIPCO Bromuconazole|Granit|Granit (pesticide)|LS 860263|Pentitol, 2,5-anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-|UNII-PHS29ZMZ81|Vectra|188992-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032531
ERPathway2016 ERPathway2016_677 Bromuconazole 116255-48-2 DTXSID9032531 R6 ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC(Cl)=C(C=C1)C1(CN2C=NC=N2)CC(Br)CO1 Bromuconazole 116255-48-2|Bromuconazole|1-((2RS,4RS,2RS,4SR)-4-Bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl)-1H-1,2,4-triazole|1-((4-Bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl]methyl]-|2,5-Anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol|CHIPCO Bromuconazole|Granit|Granit (pesticide)|LS 860263|Pentitol, 2,5-anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-|UNII-PHS29ZMZ81|Vectra|188992-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032531
ERPathway2016 ERPathway2016_677 Bromuconazole 116255-48-2 DTXSID9032531 R6 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=CC(Cl)=C(C=C1)C1(CN2C=NC=N2)CC(Br)CO1 Bromuconazole 116255-48-2|Bromuconazole|1-((2RS,4RS,2RS,4SR)-4-Bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl)-1H-1,2,4-triazole|1-((4-Bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl]methyl]-|2,5-Anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol|CHIPCO Bromuconazole|Granit|Granit (pesticide)|LS 860263|Pentitol, 2,5-anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-|UNII-PHS29ZMZ81|Vectra|188992-37-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032531
ARPathway2016 ARPathway2016_1275 Bronopol 52-51-7 DTXSID8024652 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless OCC(Br)(CO)[N+]([O-])=O Bronopol 52-51-7|Bronopol|1,2-Bromo-2-nitropropane-1,3-diol|1,3-Propanediol, 2-bromo-2-nitro-|2-BROM-2-NITRO-1,3-PROPANDIOL|2-BROMO-2-NITRO-, 1,3-PROPANDIOL|2-Bromo-2-nitro-1,3-propanediol|2-Bromo-2-nitropropan-1,3-diol|2-Bromo-2-nitropropane-1,3-diol|2-Nitro-2-bromo-1,3-propanediol|Acticide L 30|Bactrinol 100|beta-Bromo-beta-nitrotrimethyleneglycol|BRN 1705868|Bronidiol|Bronocot|Bronopolu|Bronopolum|Bronosol|Bronotak|Canguard 409|Caswell No. 116A|EINECS 200-143-0|EPA Pesticide Chemical Code 216400|Lexgard bronopol|Myacide AS|Myacide BT|Myacide Pharma BP|Nalco 92RU093|NSC 141021|Onyxide 500|PROPANE-1,3-DIOL, 2-BROMO-2-NITRO-|Topcide 2520|Ultra Fresh SAB|UN 3241|UNII-6PU1E16C9W|b-Bromo-b-nitrotrimethyleneglycol|1135443-73-0|133248-96-1|179733-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024652 https://doi.org/10.22427/NTP-DATA-DTXSID8024652
ARPathway2016 ARPathway2016_1275 Bronopol 52-51-7 DTXSID8024652 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless OCC(Br)(CO)[N+]([O-])=O Bronopol 52-51-7|Bronopol|1,2-Bromo-2-nitropropane-1,3-diol|1,3-Propanediol, 2-bromo-2-nitro-|2-BROM-2-NITRO-1,3-PROPANDIOL|2-BROMO-2-NITRO-, 1,3-PROPANDIOL|2-Bromo-2-nitro-1,3-propanediol|2-Bromo-2-nitropropan-1,3-diol|2-Bromo-2-nitropropane-1,3-diol|2-Nitro-2-bromo-1,3-propanediol|Acticide L 30|Bactrinol 100|beta-Bromo-beta-nitrotrimethyleneglycol|BRN 1705868|Bronidiol|Bronocot|Bronopolu|Bronopolum|Bronosol|Bronotak|Canguard 409|Caswell No. 116A|EINECS 200-143-0|EPA Pesticide Chemical Code 216400|Lexgard bronopol|Myacide AS|Myacide BT|Myacide Pharma BP|Nalco 92RU093|NSC 141021|Onyxide 500|PROPANE-1,3-DIOL, 2-BROMO-2-NITRO-|Topcide 2520|Ultra Fresh SAB|UN 3241|UNII-6PU1E16C9W|b-Bromo-b-nitrotrimethyleneglycol|1135443-73-0|133248-96-1|179733-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024652 https://doi.org/10.22427/NTP-DATA-DTXSID8024652
ARPathway2016 ARPathway2016_1275 Bronopol 52-51-7 DTXSID8024652 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless OCC(Br)(CO)[N+]([O-])=O Bronopol 52-51-7|Bronopol|1,2-Bromo-2-nitropropane-1,3-diol|1,3-Propanediol, 2-bromo-2-nitro-|2-BROM-2-NITRO-1,3-PROPANDIOL|2-BROMO-2-NITRO-, 1,3-PROPANDIOL|2-Bromo-2-nitro-1,3-propanediol|2-Bromo-2-nitropropan-1,3-diol|2-Bromo-2-nitropropane-1,3-diol|2-Nitro-2-bromo-1,3-propanediol|Acticide L 30|Bactrinol 100|beta-Bromo-beta-nitrotrimethyleneglycol|BRN 1705868|Bronidiol|Bronocot|Bronopolu|Bronopolum|Bronosol|Bronotak|Canguard 409|Caswell No. 116A|EINECS 200-143-0|EPA Pesticide Chemical Code 216400|Lexgard bronopol|Myacide AS|Myacide BT|Myacide Pharma BP|Nalco 92RU093|NSC 141021|Onyxide 500|PROPANE-1,3-DIOL, 2-BROMO-2-NITRO-|Topcide 2520|Ultra Fresh SAB|UN 3241|UNII-6PU1E16C9W|b-Bromo-b-nitrotrimethyleneglycol|1135443-73-0|133248-96-1|179733-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024652 https://doi.org/10.22427/NTP-DATA-DTXSID8024652
ARPathway2016 ARPathway2016_1275 Bronopol 52-51-7 DTXSID8024652 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless OCC(Br)(CO)[N+]([O-])=O Bronopol 52-51-7|Bronopol|1,2-Bromo-2-nitropropane-1,3-diol|1,3-Propanediol, 2-bromo-2-nitro-|2-BROM-2-NITRO-1,3-PROPANDIOL|2-BROMO-2-NITRO-, 1,3-PROPANDIOL|2-Bromo-2-nitro-1,3-propanediol|2-Bromo-2-nitropropan-1,3-diol|2-Bromo-2-nitropropane-1,3-diol|2-Nitro-2-bromo-1,3-propanediol|Acticide L 30|Bactrinol 100|beta-Bromo-beta-nitrotrimethyleneglycol|BRN 1705868|Bronidiol|Bronocot|Bronopolu|Bronopolum|Bronosol|Bronotak|Canguard 409|Caswell No. 116A|EINECS 200-143-0|EPA Pesticide Chemical Code 216400|Lexgard bronopol|Myacide AS|Myacide BT|Myacide Pharma BP|Nalco 92RU093|NSC 141021|Onyxide 500|PROPANE-1,3-DIOL, 2-BROMO-2-NITRO-|Topcide 2520|Ultra Fresh SAB|UN 3241|UNII-6PU1E16C9W|b-Bromo-b-nitrotrimethyleneglycol|1135443-73-0|133248-96-1|179733-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024652 https://doi.org/10.22427/NTP-DATA-DTXSID8024652
ERPathway2016 ERPathway2016_1510 Bronopol 52-51-7 DTXSID8024652 ER Pathway Model, Agonist Model Score 0 Unitless OCC(Br)(CO)[N+]([O-])=O Bronopol 52-51-7|Bronopol|1,2-Bromo-2-nitropropane-1,3-diol|1,3-Propanediol, 2-bromo-2-nitro-|2-BROM-2-NITRO-1,3-PROPANDIOL|2-BROMO-2-NITRO-, 1,3-PROPANDIOL|2-Bromo-2-nitro-1,3-propanediol|2-Bromo-2-nitropropan-1,3-diol|2-Bromo-2-nitropropane-1,3-diol|2-Nitro-2-bromo-1,3-propanediol|Acticide L 30|Bactrinol 100|beta-Bromo-beta-nitrotrimethyleneglycol|BRN 1705868|Bronidiol|Bronocot|Bronopolu|Bronopolum|Bronosol|Bronotak|Canguard 409|Caswell No. 116A|EINECS 200-143-0|EPA Pesticide Chemical Code 216400|Lexgard bronopol|Myacide AS|Myacide BT|Myacide Pharma BP|Nalco 92RU093|NSC 141021|Onyxide 500|PROPANE-1,3-DIOL, 2-BROMO-2-NITRO-|Topcide 2520|Ultra Fresh SAB|UN 3241|UNII-6PU1E16C9W|b-Bromo-b-nitrotrimethyleneglycol|1135443-73-0|133248-96-1|179733-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024652 https://doi.org/10.22427/NTP-DATA-DTXSID8024652
ERPathway2016 ERPathway2016_1510 Bronopol 52-51-7 DTXSID8024652 ER Pathway Model, Antagonist Model Score 0 Unitless OCC(Br)(CO)[N+]([O-])=O Bronopol 52-51-7|Bronopol|1,2-Bromo-2-nitropropane-1,3-diol|1,3-Propanediol, 2-bromo-2-nitro-|2-BROM-2-NITRO-1,3-PROPANDIOL|2-BROMO-2-NITRO-, 1,3-PROPANDIOL|2-Bromo-2-nitro-1,3-propanediol|2-Bromo-2-nitropropan-1,3-diol|2-Bromo-2-nitropropane-1,3-diol|2-Nitro-2-bromo-1,3-propanediol|Acticide L 30|Bactrinol 100|beta-Bromo-beta-nitrotrimethyleneglycol|BRN 1705868|Bronidiol|Bronocot|Bronopolu|Bronopolum|Bronosol|Bronotak|Canguard 409|Caswell No. 116A|EINECS 200-143-0|EPA Pesticide Chemical Code 216400|Lexgard bronopol|Myacide AS|Myacide BT|Myacide Pharma BP|Nalco 92RU093|NSC 141021|Onyxide 500|PROPANE-1,3-DIOL, 2-BROMO-2-NITRO-|Topcide 2520|Ultra Fresh SAB|UN 3241|UNII-6PU1E16C9W|b-Bromo-b-nitrotrimethyleneglycol|1135443-73-0|133248-96-1|179733-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024652 https://doi.org/10.22427/NTP-DATA-DTXSID8024652
ERPathway2016 ERPathway2016_1510 Bronopol 52-51-7 DTXSID8024652 ER Pathway Model, Agonist Call Inactive Unitless OCC(Br)(CO)[N+]([O-])=O Bronopol 52-51-7|Bronopol|1,2-Bromo-2-nitropropane-1,3-diol|1,3-Propanediol, 2-bromo-2-nitro-|2-BROM-2-NITRO-1,3-PROPANDIOL|2-BROMO-2-NITRO-, 1,3-PROPANDIOL|2-Bromo-2-nitro-1,3-propanediol|2-Bromo-2-nitropropan-1,3-diol|2-Bromo-2-nitropropane-1,3-diol|2-Nitro-2-bromo-1,3-propanediol|Acticide L 30|Bactrinol 100|beta-Bromo-beta-nitrotrimethyleneglycol|BRN 1705868|Bronidiol|Bronocot|Bronopolu|Bronopolum|Bronosol|Bronotak|Canguard 409|Caswell No. 116A|EINECS 200-143-0|EPA Pesticide Chemical Code 216400|Lexgard bronopol|Myacide AS|Myacide BT|Myacide Pharma BP|Nalco 92RU093|NSC 141021|Onyxide 500|PROPANE-1,3-DIOL, 2-BROMO-2-NITRO-|Topcide 2520|Ultra Fresh SAB|UN 3241|UNII-6PU1E16C9W|b-Bromo-b-nitrotrimethyleneglycol|1135443-73-0|133248-96-1|179733-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024652 https://doi.org/10.22427/NTP-DATA-DTXSID8024652
ERPathway2016 ERPathway2016_1510 Bronopol 52-51-7 DTXSID8024652 ER Pathway Model, Antagonist Call Inactive Unitless OCC(Br)(CO)[N+]([O-])=O Bronopol 52-51-7|Bronopol|1,2-Bromo-2-nitropropane-1,3-diol|1,3-Propanediol, 2-bromo-2-nitro-|2-BROM-2-NITRO-1,3-PROPANDIOL|2-BROMO-2-NITRO-, 1,3-PROPANDIOL|2-Bromo-2-nitro-1,3-propanediol|2-Bromo-2-nitropropan-1,3-diol|2-Bromo-2-nitropropane-1,3-diol|2-Nitro-2-bromo-1,3-propanediol|Acticide L 30|Bactrinol 100|beta-Bromo-beta-nitrotrimethyleneglycol|BRN 1705868|Bronidiol|Bronocot|Bronopolu|Bronopolum|Bronosol|Bronotak|Canguard 409|Caswell No. 116A|EINECS 200-143-0|EPA Pesticide Chemical Code 216400|Lexgard bronopol|Myacide AS|Myacide BT|Myacide Pharma BP|Nalco 92RU093|NSC 141021|Onyxide 500|PROPANE-1,3-DIOL, 2-BROMO-2-NITRO-|Topcide 2520|Ultra Fresh SAB|UN 3241|UNII-6PU1E16C9W|b-Bromo-b-nitrotrimethyleneglycol|1135443-73-0|133248-96-1|179733-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024652 https://doi.org/10.22427/NTP-DATA-DTXSID8024652
ARPathway2016 ARPathway2016_256 Buprofezin 69327-76-0 DTXSID8034401 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 61.02110954 uM CC(C)N1C(SCN(C1=O)C1=CC=CC=C1)=NC(C)(C)C Buprofezin 69327-76-0|Buprofezin|2-((1,1-Dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one|2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiodiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenylperhydro-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-tiaziadin-4-one|3-Isopropyl-2-[(2-methyl-2-propanyl)imino]-5-phenyl-1,3,5-thiadiazinan-4-one|4H-1,3,5-Thiadiazin-4-one, 2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-|4H-1,3,5-Thiadiazin-4-one, 2-{(1,1-dimethylethyl)imino}tetrahydro-3-(1-methylethyl)-5-phenyl-|Applaud|Applaud 40SC|BRN 1010518|Buprofezine|Courier|EC No.: 614-948-3|EC No.: 929-167-6|NNI 750|Stater|Talus|THIADIAZINAN(1,3,5)-4-ONE, 2-T-BUTYLIM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034401
ARPathway2016 ARPathway2016_256 Buprofezin 69327-76-0 DTXSID8034401 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 41.79693435 uM CC(C)N1C(SCN(C1=O)C1=CC=CC=C1)=NC(C)(C)C Buprofezin 69327-76-0|Buprofezin|2-((1,1-Dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one|2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiodiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenylperhydro-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-tiaziadin-4-one|3-Isopropyl-2-[(2-methyl-2-propanyl)imino]-5-phenyl-1,3,5-thiadiazinan-4-one|4H-1,3,5-Thiadiazin-4-one, 2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-|4H-1,3,5-Thiadiazin-4-one, 2-{(1,1-dimethylethyl)imino}tetrahydro-3-(1-methylethyl)-5-phenyl-|Applaud|Applaud 40SC|BRN 1010518|Buprofezine|Courier|EC No.: 614-948-3|EC No.: 929-167-6|NNI 750|Stater|Talus|THIADIAZINAN(1,3,5)-4-ONE, 2-T-BUTYLIM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034401
ARPathway2016 ARPathway2016_256 Buprofezin 69327-76-0 DTXSID8034401 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0521 Unitless CC(C)N1C(SCN(C1=O)C1=CC=CC=C1)=NC(C)(C)C Buprofezin 69327-76-0|Buprofezin|2-((1,1-Dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one|2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiodiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenylperhydro-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-tiaziadin-4-one|3-Isopropyl-2-[(2-methyl-2-propanyl)imino]-5-phenyl-1,3,5-thiadiazinan-4-one|4H-1,3,5-Thiadiazin-4-one, 2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-|4H-1,3,5-Thiadiazin-4-one, 2-{(1,1-dimethylethyl)imino}tetrahydro-3-(1-methylethyl)-5-phenyl-|Applaud|Applaud 40SC|BRN 1010518|Buprofezine|Courier|EC No.: 614-948-3|EC No.: 929-167-6|NNI 750|Stater|Talus|THIADIAZINAN(1,3,5)-4-ONE, 2-T-BUTYLIM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034401
ARPathway2016 ARPathway2016_256 Buprofezin 69327-76-0 DTXSID8034401 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)N1C(SCN(C1=O)C1=CC=CC=C1)=NC(C)(C)C Buprofezin 69327-76-0|Buprofezin|2-((1,1-Dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one|2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiodiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenylperhydro-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-tiaziadin-4-one|3-Isopropyl-2-[(2-methyl-2-propanyl)imino]-5-phenyl-1,3,5-thiadiazinan-4-one|4H-1,3,5-Thiadiazin-4-one, 2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-|4H-1,3,5-Thiadiazin-4-one, 2-{(1,1-dimethylethyl)imino}tetrahydro-3-(1-methylethyl)-5-phenyl-|Applaud|Applaud 40SC|BRN 1010518|Buprofezine|Courier|EC No.: 614-948-3|EC No.: 929-167-6|NNI 750|Stater|Talus|THIADIAZINAN(1,3,5)-4-ONE, 2-T-BUTYLIM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034401
ARPathway2016 ARPathway2016_256 Buprofezin 69327-76-0 DTXSID8034401 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)N1C(SCN(C1=O)C1=CC=CC=C1)=NC(C)(C)C Buprofezin 69327-76-0|Buprofezin|2-((1,1-Dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one|2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiodiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenylperhydro-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-tiaziadin-4-one|3-Isopropyl-2-[(2-methyl-2-propanyl)imino]-5-phenyl-1,3,5-thiadiazinan-4-one|4H-1,3,5-Thiadiazin-4-one, 2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-|4H-1,3,5-Thiadiazin-4-one, 2-{(1,1-dimethylethyl)imino}tetrahydro-3-(1-methylethyl)-5-phenyl-|Applaud|Applaud 40SC|BRN 1010518|Buprofezine|Courier|EC No.: 614-948-3|EC No.: 929-167-6|NNI 750|Stater|Talus|THIADIAZINAN(1,3,5)-4-ONE, 2-T-BUTYLIM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034401
ARPathway2016 ARPathway2016_256 Buprofezin 69327-76-0 DTXSID8034401 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)N1C(SCN(C1=O)C1=CC=CC=C1)=NC(C)(C)C Buprofezin 69327-76-0|Buprofezin|2-((1,1-Dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one|2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiodiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenylperhydro-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-tiaziadin-4-one|3-Isopropyl-2-[(2-methyl-2-propanyl)imino]-5-phenyl-1,3,5-thiadiazinan-4-one|4H-1,3,5-Thiadiazin-4-one, 2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-|4H-1,3,5-Thiadiazin-4-one, 2-{(1,1-dimethylethyl)imino}tetrahydro-3-(1-methylethyl)-5-phenyl-|Applaud|Applaud 40SC|BRN 1010518|Buprofezine|Courier|EC No.: 614-948-3|EC No.: 929-167-6|NNI 750|Stater|Talus|THIADIAZINAN(1,3,5)-4-ONE, 2-T-BUTYLIM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034401
ERPathway2016 ERPathway2016_81 Buprofezin 69327-76-0 DTXSID8034401 ER Pathway Model, Agonist AC50 21.1116501147843 uM CC(C)N1C(SCN(C1=O)C1=CC=CC=C1)=NC(C)(C)C Buprofezin 69327-76-0|Buprofezin|2-((1,1-Dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one|2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiodiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenylperhydro-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-tiaziadin-4-one|3-Isopropyl-2-[(2-methyl-2-propanyl)imino]-5-phenyl-1,3,5-thiadiazinan-4-one|4H-1,3,5-Thiadiazin-4-one, 2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-|4H-1,3,5-Thiadiazin-4-one, 2-{(1,1-dimethylethyl)imino}tetrahydro-3-(1-methylethyl)-5-phenyl-|Applaud|Applaud 40SC|BRN 1010518|Buprofezine|Courier|EC No.: 614-948-3|EC No.: 929-167-6|NNI 750|Stater|Talus|THIADIAZINAN(1,3,5)-4-ONE, 2-T-BUTYLIM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034401
ERPathway2016 ERPathway2016_81 Buprofezin 69327-76-0 DTXSID8034401 ER Pathway Model, Agonist ACC 20.7049303187395 uM CC(C)N1C(SCN(C1=O)C1=CC=CC=C1)=NC(C)(C)C Buprofezin 69327-76-0|Buprofezin|2-((1,1-Dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one|2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiodiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenylperhydro-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-tiaziadin-4-one|3-Isopropyl-2-[(2-methyl-2-propanyl)imino]-5-phenyl-1,3,5-thiadiazinan-4-one|4H-1,3,5-Thiadiazin-4-one, 2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-|4H-1,3,5-Thiadiazin-4-one, 2-{(1,1-dimethylethyl)imino}tetrahydro-3-(1-methylethyl)-5-phenyl-|Applaud|Applaud 40SC|BRN 1010518|Buprofezine|Courier|EC No.: 614-948-3|EC No.: 929-167-6|NNI 750|Stater|Talus|THIADIAZINAN(1,3,5)-4-ONE, 2-T-BUTYLIM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034401
ERPathway2016 ERPathway2016_81 Buprofezin 69327-76-0 DTXSID8034401 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)N1C(SCN(C1=O)C1=CC=CC=C1)=NC(C)(C)C Buprofezin 69327-76-0|Buprofezin|2-((1,1-Dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one|2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiodiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenylperhydro-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-tiaziadin-4-one|3-Isopropyl-2-[(2-methyl-2-propanyl)imino]-5-phenyl-1,3,5-thiadiazinan-4-one|4H-1,3,5-Thiadiazin-4-one, 2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-|4H-1,3,5-Thiadiazin-4-one, 2-{(1,1-dimethylethyl)imino}tetrahydro-3-(1-methylethyl)-5-phenyl-|Applaud|Applaud 40SC|BRN 1010518|Buprofezine|Courier|EC No.: 614-948-3|EC No.: 929-167-6|NNI 750|Stater|Talus|THIADIAZINAN(1,3,5)-4-ONE, 2-T-BUTYLIM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034401
ERPathway2016 ERPathway2016_81 Buprofezin 69327-76-0 DTXSID8034401 ER Pathway Model, Antagonist Model Score 0.00796 Unitless CC(C)N1C(SCN(C1=O)C1=CC=CC=C1)=NC(C)(C)C Buprofezin 69327-76-0|Buprofezin|2-((1,1-Dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one|2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiodiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenylperhydro-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-tiaziadin-4-one|3-Isopropyl-2-[(2-methyl-2-propanyl)imino]-5-phenyl-1,3,5-thiadiazinan-4-one|4H-1,3,5-Thiadiazin-4-one, 2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-|4H-1,3,5-Thiadiazin-4-one, 2-{(1,1-dimethylethyl)imino}tetrahydro-3-(1-methylethyl)-5-phenyl-|Applaud|Applaud 40SC|BRN 1010518|Buprofezine|Courier|EC No.: 614-948-3|EC No.: 929-167-6|NNI 750|Stater|Talus|THIADIAZINAN(1,3,5)-4-ONE, 2-T-BUTYLIM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034401
ERPathway2016 ERPathway2016_81 Buprofezin 69327-76-0 DTXSID8034401 ER Pathway Model, Agonist Call Active Unitless CC(C)N1C(SCN(C1=O)C1=CC=CC=C1)=NC(C)(C)C Buprofezin 69327-76-0|Buprofezin|2-((1,1-Dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one|2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiodiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenylperhydro-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-tiaziadin-4-one|3-Isopropyl-2-[(2-methyl-2-propanyl)imino]-5-phenyl-1,3,5-thiadiazinan-4-one|4H-1,3,5-Thiadiazin-4-one, 2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-|4H-1,3,5-Thiadiazin-4-one, 2-{(1,1-dimethylethyl)imino}tetrahydro-3-(1-methylethyl)-5-phenyl-|Applaud|Applaud 40SC|BRN 1010518|Buprofezine|Courier|EC No.: 614-948-3|EC No.: 929-167-6|NNI 750|Stater|Talus|THIADIAZINAN(1,3,5)-4-ONE, 2-T-BUTYLIM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034401
ERPathway2016 ERPathway2016_81 Buprofezin 69327-76-0 DTXSID8034401 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)N1C(SCN(C1=O)C1=CC=CC=C1)=NC(C)(C)C Buprofezin 69327-76-0|Buprofezin|2-((1,1-Dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one|2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiodiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenylperhydro-1,3,5-thiadiazinan-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-thiadiazin-4-one|2-tert-Butylimino-3-isopropyl-5-phenyltetrahydro-4H-1,3,5-tiaziadin-4-one|3-Isopropyl-2-[(2-methyl-2-propanyl)imino]-5-phenyl-1,3,5-thiadiazinan-4-one|4H-1,3,5-Thiadiazin-4-one, 2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-|4H-1,3,5-Thiadiazin-4-one, 2-{(1,1-dimethylethyl)imino}tetrahydro-3-(1-methylethyl)-5-phenyl-|Applaud|Applaud 40SC|BRN 1010518|Buprofezine|Courier|EC No.: 614-948-3|EC No.: 929-167-6|NNI 750|Stater|Talus|THIADIAZINAN(1,3,5)-4-ONE, 2-T-BUTYLIM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034401
ARPathway2016 ARPathway2016_1329 Busulfan 55-98-1 DTXSID3020910 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CS(=O)(=O)OCCCCOS(C)(=O)=O Busulfan 55-98-1|Busulfan|1,4-Bis(methanesulfonoxy)butane|1,4-Bis(methanesulfonyloxy)butane|1,4-Butanediol dimesylate|1,4-Butanediol dimethanesulfonate|1,4-Butanediol dimethanesulphonate|1,4-Butanediol dimethylsulfonate|1,4-Butanediol, 1,4-dimethanesulfonate|1,4-Butanediol, dimethanesulfonate|1,4-Dibutanediol dimethanesulfonate|1,4-Dimesyloxybutane|1,4-Dimethane sulfonyl oxybutane|1,4-Dimethanesulfonoxybutane|1,4-Dimethanesulfonoxylbutane|1,4-Dimethanesulfonyloxybutane|1,4-Dimethanesulphonyloxybutane|1,4-Dimethylsulfonoxybutane|1,4-Dimethylsulfonyloxybutane|BRN 1791786|busulfano|Busulfanum|Busulfex|Busulphan|Butane-1,4-diyl bis(methanesulfonate)|Butanediol dimethanesulphonate (mylran), 1,4-|Citosulfan|EINECS 200-250-2|Glyzophrol|Leucosulfan|Methanesulfonic acid, tetramethylene ester|Mielevcin|Mielosan|Mielucin|Milecitan|Mileran|Misulban|Mitostan|Myeleukon|Myeloleukon|Myelosan|Myelosanum|Mylecytan|Myleran|NCI C01592|NCI-C01592|NSC 750|NSC-750|Sulfabutin|Sulphabutin|Tetramethylene bis(methanesulfonate)|Tetramethylene bis[methanesulfonat https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020910 https://doi.org/10.22427/NTP-DATA-DTXSID3020910
ARPathway2016 ARPathway2016_1329 Busulfan 55-98-1 DTXSID3020910 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CS(=O)(=O)OCCCCOS(C)(=O)=O Busulfan 55-98-1|Busulfan|1,4-Bis(methanesulfonoxy)butane|1,4-Bis(methanesulfonyloxy)butane|1,4-Butanediol dimesylate|1,4-Butanediol dimethanesulfonate|1,4-Butanediol dimethanesulphonate|1,4-Butanediol dimethylsulfonate|1,4-Butanediol, 1,4-dimethanesulfonate|1,4-Butanediol, dimethanesulfonate|1,4-Dibutanediol dimethanesulfonate|1,4-Dimesyloxybutane|1,4-Dimethane sulfonyl oxybutane|1,4-Dimethanesulfonoxybutane|1,4-Dimethanesulfonoxylbutane|1,4-Dimethanesulfonyloxybutane|1,4-Dimethanesulphonyloxybutane|1,4-Dimethylsulfonoxybutane|1,4-Dimethylsulfonyloxybutane|BRN 1791786|busulfano|Busulfanum|Busulfex|Busulphan|Butane-1,4-diyl bis(methanesulfonate)|Butanediol dimethanesulphonate (mylran), 1,4-|Citosulfan|EINECS 200-250-2|Glyzophrol|Leucosulfan|Methanesulfonic acid, tetramethylene ester|Mielevcin|Mielosan|Mielucin|Milecitan|Mileran|Misulban|Mitostan|Myeleukon|Myeloleukon|Myelosan|Myelosanum|Mylecytan|Myleran|NCI C01592|NCI-C01592|NSC 750|NSC-750|Sulfabutin|Sulphabutin|Tetramethylene bis(methanesulfonate)|Tetramethylene bis[methanesulfonat https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020910 https://doi.org/10.22427/NTP-DATA-DTXSID3020910
ARPathway2016 ARPathway2016_1329 Busulfan 55-98-1 DTXSID3020910 0.0 AR Pathway Model, Agonist Call Inactive Unitless CS(=O)(=O)OCCCCOS(C)(=O)=O Busulfan 55-98-1|Busulfan|1,4-Bis(methanesulfonoxy)butane|1,4-Bis(methanesulfonyloxy)butane|1,4-Butanediol dimesylate|1,4-Butanediol dimethanesulfonate|1,4-Butanediol dimethanesulphonate|1,4-Butanediol dimethylsulfonate|1,4-Butanediol, 1,4-dimethanesulfonate|1,4-Butanediol, dimethanesulfonate|1,4-Dibutanediol dimethanesulfonate|1,4-Dimesyloxybutane|1,4-Dimethane sulfonyl oxybutane|1,4-Dimethanesulfonoxybutane|1,4-Dimethanesulfonoxylbutane|1,4-Dimethanesulfonyloxybutane|1,4-Dimethanesulphonyloxybutane|1,4-Dimethylsulfonoxybutane|1,4-Dimethylsulfonyloxybutane|BRN 1791786|busulfano|Busulfanum|Busulfex|Busulphan|Butane-1,4-diyl bis(methanesulfonate)|Butanediol dimethanesulphonate (mylran), 1,4-|Citosulfan|EINECS 200-250-2|Glyzophrol|Leucosulfan|Methanesulfonic acid, tetramethylene ester|Mielevcin|Mielosan|Mielucin|Milecitan|Mileran|Misulban|Mitostan|Myeleukon|Myeloleukon|Myelosan|Myelosanum|Mylecytan|Myleran|NCI C01592|NCI-C01592|NSC 750|NSC-750|Sulfabutin|Sulphabutin|Tetramethylene bis(methanesulfonate)|Tetramethylene bis[methanesulfonat https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020910 https://doi.org/10.22427/NTP-DATA-DTXSID3020910
ARPathway2016 ARPathway2016_1329 Busulfan 55-98-1 DTXSID3020910 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CS(=O)(=O)OCCCCOS(C)(=O)=O Busulfan 55-98-1|Busulfan|1,4-Bis(methanesulfonoxy)butane|1,4-Bis(methanesulfonyloxy)butane|1,4-Butanediol dimesylate|1,4-Butanediol dimethanesulfonate|1,4-Butanediol dimethanesulphonate|1,4-Butanediol dimethylsulfonate|1,4-Butanediol, 1,4-dimethanesulfonate|1,4-Butanediol, dimethanesulfonate|1,4-Dibutanediol dimethanesulfonate|1,4-Dimesyloxybutane|1,4-Dimethane sulfonyl oxybutane|1,4-Dimethanesulfonoxybutane|1,4-Dimethanesulfonoxylbutane|1,4-Dimethanesulfonyloxybutane|1,4-Dimethanesulphonyloxybutane|1,4-Dimethylsulfonoxybutane|1,4-Dimethylsulfonyloxybutane|BRN 1791786|busulfano|Busulfanum|Busulfex|Busulphan|Butane-1,4-diyl bis(methanesulfonate)|Butanediol dimethanesulphonate (mylran), 1,4-|Citosulfan|EINECS 200-250-2|Glyzophrol|Leucosulfan|Methanesulfonic acid, tetramethylene ester|Mielevcin|Mielosan|Mielucin|Milecitan|Mileran|Misulban|Mitostan|Myeleukon|Myeloleukon|Myelosan|Myelosanum|Mylecytan|Myleran|NCI C01592|NCI-C01592|NSC 750|NSC-750|Sulfabutin|Sulphabutin|Tetramethylene bis(methanesulfonate)|Tetramethylene bis[methanesulfonat https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020910 https://doi.org/10.22427/NTP-DATA-DTXSID3020910
ERPathway2016 ERPathway2016_1540 Busulfan 55-98-1 DTXSID3020910 ER Pathway Model, Agonist Model Score 0 Unitless CS(=O)(=O)OCCCCOS(C)(=O)=O Busulfan 55-98-1|Busulfan|1,4-Bis(methanesulfonoxy)butane|1,4-Bis(methanesulfonyloxy)butane|1,4-Butanediol dimesylate|1,4-Butanediol dimethanesulfonate|1,4-Butanediol dimethanesulphonate|1,4-Butanediol dimethylsulfonate|1,4-Butanediol, 1,4-dimethanesulfonate|1,4-Butanediol, dimethanesulfonate|1,4-Dibutanediol dimethanesulfonate|1,4-Dimesyloxybutane|1,4-Dimethane sulfonyl oxybutane|1,4-Dimethanesulfonoxybutane|1,4-Dimethanesulfonoxylbutane|1,4-Dimethanesulfonyloxybutane|1,4-Dimethanesulphonyloxybutane|1,4-Dimethylsulfonoxybutane|1,4-Dimethylsulfonyloxybutane|BRN 1791786|busulfano|Busulfanum|Busulfex|Busulphan|Butane-1,4-diyl bis(methanesulfonate)|Butanediol dimethanesulphonate (mylran), 1,4-|Citosulfan|EINECS 200-250-2|Glyzophrol|Leucosulfan|Methanesulfonic acid, tetramethylene ester|Mielevcin|Mielosan|Mielucin|Milecitan|Mileran|Misulban|Mitostan|Myeleukon|Myeloleukon|Myelosan|Myelosanum|Mylecytan|Myleran|NCI C01592|NCI-C01592|NSC 750|NSC-750|Sulfabutin|Sulphabutin|Tetramethylene bis(methanesulfonate)|Tetramethylene bis[methanesulfonat https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020910 https://doi.org/10.22427/NTP-DATA-DTXSID3020910
ERPathway2016 ERPathway2016_1540 Busulfan 55-98-1 DTXSID3020910 ER Pathway Model, Antagonist Model Score 0 Unitless CS(=O)(=O)OCCCCOS(C)(=O)=O Busulfan 55-98-1|Busulfan|1,4-Bis(methanesulfonoxy)butane|1,4-Bis(methanesulfonyloxy)butane|1,4-Butanediol dimesylate|1,4-Butanediol dimethanesulfonate|1,4-Butanediol dimethanesulphonate|1,4-Butanediol dimethylsulfonate|1,4-Butanediol, 1,4-dimethanesulfonate|1,4-Butanediol, dimethanesulfonate|1,4-Dibutanediol dimethanesulfonate|1,4-Dimesyloxybutane|1,4-Dimethane sulfonyl oxybutane|1,4-Dimethanesulfonoxybutane|1,4-Dimethanesulfonoxylbutane|1,4-Dimethanesulfonyloxybutane|1,4-Dimethanesulphonyloxybutane|1,4-Dimethylsulfonoxybutane|1,4-Dimethylsulfonyloxybutane|BRN 1791786|busulfano|Busulfanum|Busulfex|Busulphan|Butane-1,4-diyl bis(methanesulfonate)|Butanediol dimethanesulphonate (mylran), 1,4-|Citosulfan|EINECS 200-250-2|Glyzophrol|Leucosulfan|Methanesulfonic acid, tetramethylene ester|Mielevcin|Mielosan|Mielucin|Milecitan|Mileran|Misulban|Mitostan|Myeleukon|Myeloleukon|Myelosan|Myelosanum|Mylecytan|Myleran|NCI C01592|NCI-C01592|NSC 750|NSC-750|Sulfabutin|Sulphabutin|Tetramethylene bis(methanesulfonate)|Tetramethylene bis[methanesulfonat https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020910 https://doi.org/10.22427/NTP-DATA-DTXSID3020910
ERPathway2016 ERPathway2016_1540 Busulfan 55-98-1 DTXSID3020910 ER Pathway Model, Agonist Call Inactive Unitless CS(=O)(=O)OCCCCOS(C)(=O)=O Busulfan 55-98-1|Busulfan|1,4-Bis(methanesulfonoxy)butane|1,4-Bis(methanesulfonyloxy)butane|1,4-Butanediol dimesylate|1,4-Butanediol dimethanesulfonate|1,4-Butanediol dimethanesulphonate|1,4-Butanediol dimethylsulfonate|1,4-Butanediol, 1,4-dimethanesulfonate|1,4-Butanediol, dimethanesulfonate|1,4-Dibutanediol dimethanesulfonate|1,4-Dimesyloxybutane|1,4-Dimethane sulfonyl oxybutane|1,4-Dimethanesulfonoxybutane|1,4-Dimethanesulfonoxylbutane|1,4-Dimethanesulfonyloxybutane|1,4-Dimethanesulphonyloxybutane|1,4-Dimethylsulfonoxybutane|1,4-Dimethylsulfonyloxybutane|BRN 1791786|busulfano|Busulfanum|Busulfex|Busulphan|Butane-1,4-diyl bis(methanesulfonate)|Butanediol dimethanesulphonate (mylran), 1,4-|Citosulfan|EINECS 200-250-2|Glyzophrol|Leucosulfan|Methanesulfonic acid, tetramethylene ester|Mielevcin|Mielosan|Mielucin|Milecitan|Mileran|Misulban|Mitostan|Myeleukon|Myeloleukon|Myelosan|Myelosanum|Mylecytan|Myleran|NCI C01592|NCI-C01592|NSC 750|NSC-750|Sulfabutin|Sulphabutin|Tetramethylene bis(methanesulfonate)|Tetramethylene bis[methanesulfonat https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020910 https://doi.org/10.22427/NTP-DATA-DTXSID3020910
ERPathway2016 ERPathway2016_1540 Busulfan 55-98-1 DTXSID3020910 ER Pathway Model, Antagonist Call Inactive Unitless CS(=O)(=O)OCCCCOS(C)(=O)=O Busulfan 55-98-1|Busulfan|1,4-Bis(methanesulfonoxy)butane|1,4-Bis(methanesulfonyloxy)butane|1,4-Butanediol dimesylate|1,4-Butanediol dimethanesulfonate|1,4-Butanediol dimethanesulphonate|1,4-Butanediol dimethylsulfonate|1,4-Butanediol, 1,4-dimethanesulfonate|1,4-Butanediol, dimethanesulfonate|1,4-Dibutanediol dimethanesulfonate|1,4-Dimesyloxybutane|1,4-Dimethane sulfonyl oxybutane|1,4-Dimethanesulfonoxybutane|1,4-Dimethanesulfonoxylbutane|1,4-Dimethanesulfonyloxybutane|1,4-Dimethanesulphonyloxybutane|1,4-Dimethylsulfonoxybutane|1,4-Dimethylsulfonyloxybutane|BRN 1791786|busulfano|Busulfanum|Busulfex|Busulphan|Butane-1,4-diyl bis(methanesulfonate)|Butanediol dimethanesulphonate (mylran), 1,4-|Citosulfan|EINECS 200-250-2|Glyzophrol|Leucosulfan|Methanesulfonic acid, tetramethylene ester|Mielevcin|Mielosan|Mielucin|Milecitan|Mileran|Misulban|Mitostan|Myeleukon|Myeloleukon|Myelosan|Myelosanum|Mylecytan|Myleran|NCI C01592|NCI-C01592|NSC 750|NSC-750|Sulfabutin|Sulphabutin|Tetramethylene bis(methanesulfonate)|Tetramethylene bis[methanesulfonat https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020910 https://doi.org/10.22427/NTP-DATA-DTXSID3020910
ARPathway2016 ARPathway2016_119 Butachlor 23184-66-9 DTXSID3034402 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 27.3215202872814 uM CCCCOCN(C(=O)CCl)C1=C(CC)C=CC=C1CC Butachlor 23184-66-9|Butachlor|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetoanilide|2',6'-Diethyl-N-butoxymethyl-2-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-alpha-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-a-chloroacetanilide|Acetamide, N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)-|Acetanilide, N-(butoxymethyl)-2-chloro-2',6'-diethyl-|Amichlor|Bilchlor|BRN 2873811|Butaclor|Butanex|Caswell No. 119B|Delchlor|Delchlor 5G|EINECS 245-477-8|EPA Pesticide Chemical Code 112301|Hiltachlor|Mach-Mach|Machete|Machette|N-(butoximetil)-2-cloro-2',6'-dietilacetanilida|N-(Butoxymethyl)-2-chlor-2',6'-diethylacetanilid|N-(butoxymethyl)-2-chloro-2',6'-diethylacetanilide|N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide|N-Butoxymethyl-alpha-chloro-2',6'-diethylacetanilide|NSC 221683|Pillarsete|Rasayanchlor|UNII-94NU90OO5K|Weedout|130661-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034402
ARPathway2016 ARPathway2016_119 Butachlor 23184-66-9 DTXSID3034402 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 24.3229599532029 uM CCCCOCN(C(=O)CCl)C1=C(CC)C=CC=C1CC Butachlor 23184-66-9|Butachlor|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetoanilide|2',6'-Diethyl-N-butoxymethyl-2-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-alpha-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-a-chloroacetanilide|Acetamide, N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)-|Acetanilide, N-(butoxymethyl)-2-chloro-2',6'-diethyl-|Amichlor|Bilchlor|BRN 2873811|Butaclor|Butanex|Caswell No. 119B|Delchlor|Delchlor 5G|EINECS 245-477-8|EPA Pesticide Chemical Code 112301|Hiltachlor|Mach-Mach|Machete|Machette|N-(butoximetil)-2-cloro-2',6'-dietilacetanilida|N-(Butoxymethyl)-2-chlor-2',6'-diethylacetanilid|N-(butoxymethyl)-2-chloro-2',6'-diethylacetanilide|N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide|N-Butoxymethyl-alpha-chloro-2',6'-diethylacetanilide|NSC 221683|Pillarsete|Rasayanchlor|UNII-94NU90OO5K|Weedout|130661-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034402
ARPathway2016 ARPathway2016_119 Butachlor 23184-66-9 DTXSID3034402 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.143 Unitless CCCCOCN(C(=O)CCl)C1=C(CC)C=CC=C1CC Butachlor 23184-66-9|Butachlor|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetoanilide|2',6'-Diethyl-N-butoxymethyl-2-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-alpha-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-a-chloroacetanilide|Acetamide, N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)-|Acetanilide, N-(butoxymethyl)-2-chloro-2',6'-diethyl-|Amichlor|Bilchlor|BRN 2873811|Butaclor|Butanex|Caswell No. 119B|Delchlor|Delchlor 5G|EINECS 245-477-8|EPA Pesticide Chemical Code 112301|Hiltachlor|Mach-Mach|Machete|Machette|N-(butoximetil)-2-cloro-2',6'-dietilacetanilida|N-(Butoxymethyl)-2-chlor-2',6'-diethylacetanilid|N-(butoxymethyl)-2-chloro-2',6'-diethylacetanilide|N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide|N-Butoxymethyl-alpha-chloro-2',6'-diethylacetanilide|NSC 221683|Pillarsete|Rasayanchlor|UNII-94NU90OO5K|Weedout|130661-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034402
ARPathway2016 ARPathway2016_119 Butachlor 23184-66-9 DTXSID3034402 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCCOCN(C(=O)CCl)C1=C(CC)C=CC=C1CC Butachlor 23184-66-9|Butachlor|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetoanilide|2',6'-Diethyl-N-butoxymethyl-2-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-alpha-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-a-chloroacetanilide|Acetamide, N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)-|Acetanilide, N-(butoxymethyl)-2-chloro-2',6'-diethyl-|Amichlor|Bilchlor|BRN 2873811|Butaclor|Butanex|Caswell No. 119B|Delchlor|Delchlor 5G|EINECS 245-477-8|EPA Pesticide Chemical Code 112301|Hiltachlor|Mach-Mach|Machete|Machette|N-(butoximetil)-2-cloro-2',6'-dietilacetanilida|N-(Butoxymethyl)-2-chlor-2',6'-diethylacetanilid|N-(butoxymethyl)-2-chloro-2',6'-diethylacetanilide|N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide|N-Butoxymethyl-alpha-chloro-2',6'-diethylacetanilide|NSC 221683|Pillarsete|Rasayanchlor|UNII-94NU90OO5K|Weedout|130661-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034402
ARPathway2016 ARPathway2016_119 Butachlor 23184-66-9 DTXSID3034402 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCOCN(C(=O)CCl)C1=C(CC)C=CC=C1CC Butachlor 23184-66-9|Butachlor|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetoanilide|2',6'-Diethyl-N-butoxymethyl-2-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-alpha-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-a-chloroacetanilide|Acetamide, N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)-|Acetanilide, N-(butoxymethyl)-2-chloro-2',6'-diethyl-|Amichlor|Bilchlor|BRN 2873811|Butaclor|Butanex|Caswell No. 119B|Delchlor|Delchlor 5G|EINECS 245-477-8|EPA Pesticide Chemical Code 112301|Hiltachlor|Mach-Mach|Machete|Machette|N-(butoximetil)-2-cloro-2',6'-dietilacetanilida|N-(Butoxymethyl)-2-chlor-2',6'-diethylacetanilid|N-(butoxymethyl)-2-chloro-2',6'-diethylacetanilide|N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide|N-Butoxymethyl-alpha-chloro-2',6'-diethylacetanilide|NSC 221683|Pillarsete|Rasayanchlor|UNII-94NU90OO5K|Weedout|130661-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034402
ARPathway2016 ARPathway2016_119 Butachlor 23184-66-9 DTXSID3034402 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCOCN(C(=O)CCl)C1=C(CC)C=CC=C1CC Butachlor 23184-66-9|Butachlor|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetoanilide|2',6'-Diethyl-N-butoxymethyl-2-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-alpha-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-a-chloroacetanilide|Acetamide, N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)-|Acetanilide, N-(butoxymethyl)-2-chloro-2',6'-diethyl-|Amichlor|Bilchlor|BRN 2873811|Butaclor|Butanex|Caswell No. 119B|Delchlor|Delchlor 5G|EINECS 245-477-8|EPA Pesticide Chemical Code 112301|Hiltachlor|Mach-Mach|Machete|Machette|N-(butoximetil)-2-cloro-2',6'-dietilacetanilida|N-(Butoxymethyl)-2-chlor-2',6'-diethylacetanilid|N-(butoxymethyl)-2-chloro-2',6'-diethylacetanilide|N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide|N-Butoxymethyl-alpha-chloro-2',6'-diethylacetanilide|NSC 221683|Pillarsete|Rasayanchlor|UNII-94NU90OO5K|Weedout|130661-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034402
ERPathway2016 ERPathway2016_113 Butachlor 23184-66-9 DTXSID3034402 ER Pathway Model, Agonist AC50 61.9473870955143 uM CCCCOCN(C(=O)CCl)C1=C(CC)C=CC=C1CC Butachlor 23184-66-9|Butachlor|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetoanilide|2',6'-Diethyl-N-butoxymethyl-2-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-alpha-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-a-chloroacetanilide|Acetamide, N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)-|Acetanilide, N-(butoxymethyl)-2-chloro-2',6'-diethyl-|Amichlor|Bilchlor|BRN 2873811|Butaclor|Butanex|Caswell No. 119B|Delchlor|Delchlor 5G|EINECS 245-477-8|EPA Pesticide Chemical Code 112301|Hiltachlor|Mach-Mach|Machete|Machette|N-(butoximetil)-2-cloro-2',6'-dietilacetanilida|N-(Butoxymethyl)-2-chlor-2',6'-diethylacetanilid|N-(butoxymethyl)-2-chloro-2',6'-diethylacetanilide|N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide|N-Butoxymethyl-alpha-chloro-2',6'-diethylacetanilide|NSC 221683|Pillarsete|Rasayanchlor|UNII-94NU90OO5K|Weedout|130661-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034402
ERPathway2016 ERPathway2016_113 Butachlor 23184-66-9 DTXSID3034402 ER Pathway Model, Agonist ACC 47.1054694341887 uM CCCCOCN(C(=O)CCl)C1=C(CC)C=CC=C1CC Butachlor 23184-66-9|Butachlor|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetoanilide|2',6'-Diethyl-N-butoxymethyl-2-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-alpha-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-a-chloroacetanilide|Acetamide, N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)-|Acetanilide, N-(butoxymethyl)-2-chloro-2',6'-diethyl-|Amichlor|Bilchlor|BRN 2873811|Butaclor|Butanex|Caswell No. 119B|Delchlor|Delchlor 5G|EINECS 245-477-8|EPA Pesticide Chemical Code 112301|Hiltachlor|Mach-Mach|Machete|Machette|N-(butoximetil)-2-cloro-2',6'-dietilacetanilida|N-(Butoxymethyl)-2-chlor-2',6'-diethylacetanilid|N-(butoxymethyl)-2-chloro-2',6'-diethylacetanilide|N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide|N-Butoxymethyl-alpha-chloro-2',6'-diethylacetanilide|NSC 221683|Pillarsete|Rasayanchlor|UNII-94NU90OO5K|Weedout|130661-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034402
ERPathway2016 ERPathway2016_113 Butachlor 23184-66-9 DTXSID3034402 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOCN(C(=O)CCl)C1=C(CC)C=CC=C1CC Butachlor 23184-66-9|Butachlor|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetoanilide|2',6'-Diethyl-N-butoxymethyl-2-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-alpha-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-a-chloroacetanilide|Acetamide, N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)-|Acetanilide, N-(butoxymethyl)-2-chloro-2',6'-diethyl-|Amichlor|Bilchlor|BRN 2873811|Butaclor|Butanex|Caswell No. 119B|Delchlor|Delchlor 5G|EINECS 245-477-8|EPA Pesticide Chemical Code 112301|Hiltachlor|Mach-Mach|Machete|Machette|N-(butoximetil)-2-cloro-2',6'-dietilacetanilida|N-(Butoxymethyl)-2-chlor-2',6'-diethylacetanilid|N-(butoxymethyl)-2-chloro-2',6'-diethylacetanilide|N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide|N-Butoxymethyl-alpha-chloro-2',6'-diethylacetanilide|NSC 221683|Pillarsete|Rasayanchlor|UNII-94NU90OO5K|Weedout|130661-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034402
ERPathway2016 ERPathway2016_113 Butachlor 23184-66-9 DTXSID3034402 ER Pathway Model, Antagonist Model Score 0.00908 Unitless CCCCOCN(C(=O)CCl)C1=C(CC)C=CC=C1CC Butachlor 23184-66-9|Butachlor|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetoanilide|2',6'-Diethyl-N-butoxymethyl-2-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-alpha-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-a-chloroacetanilide|Acetamide, N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)-|Acetanilide, N-(butoxymethyl)-2-chloro-2',6'-diethyl-|Amichlor|Bilchlor|BRN 2873811|Butaclor|Butanex|Caswell No. 119B|Delchlor|Delchlor 5G|EINECS 245-477-8|EPA Pesticide Chemical Code 112301|Hiltachlor|Mach-Mach|Machete|Machette|N-(butoximetil)-2-cloro-2',6'-dietilacetanilida|N-(Butoxymethyl)-2-chlor-2',6'-diethylacetanilid|N-(butoxymethyl)-2-chloro-2',6'-diethylacetanilide|N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide|N-Butoxymethyl-alpha-chloro-2',6'-diethylacetanilide|NSC 221683|Pillarsete|Rasayanchlor|UNII-94NU90OO5K|Weedout|130661-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034402
ERPathway2016 ERPathway2016_113 Butachlor 23184-66-9 DTXSID3034402 ER Pathway Model, Agonist Call Active Unitless CCCCOCN(C(=O)CCl)C1=C(CC)C=CC=C1CC Butachlor 23184-66-9|Butachlor|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetoanilide|2',6'-Diethyl-N-butoxymethyl-2-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-alpha-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-a-chloroacetanilide|Acetamide, N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)-|Acetanilide, N-(butoxymethyl)-2-chloro-2',6'-diethyl-|Amichlor|Bilchlor|BRN 2873811|Butaclor|Butanex|Caswell No. 119B|Delchlor|Delchlor 5G|EINECS 245-477-8|EPA Pesticide Chemical Code 112301|Hiltachlor|Mach-Mach|Machete|Machette|N-(butoximetil)-2-cloro-2',6'-dietilacetanilida|N-(Butoxymethyl)-2-chlor-2',6'-diethylacetanilid|N-(butoxymethyl)-2-chloro-2',6'-diethylacetanilide|N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide|N-Butoxymethyl-alpha-chloro-2',6'-diethylacetanilide|NSC 221683|Pillarsete|Rasayanchlor|UNII-94NU90OO5K|Weedout|130661-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034402
ERPathway2016 ERPathway2016_113 Butachlor 23184-66-9 DTXSID3034402 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOCN(C(=O)CCl)C1=C(CC)C=CC=C1CC Butachlor 23184-66-9|Butachlor|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetanilide|2-Chloro-2',6'-diethyl-N-(butoxymethyl)acetoanilide|2',6'-Diethyl-N-butoxymethyl-2-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-alpha-chloroacetanilide|2',6'-Diethyl-N-butoxymethyl-a-chloroacetanilide|Acetamide, N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)-|Acetanilide, N-(butoxymethyl)-2-chloro-2',6'-diethyl-|Amichlor|Bilchlor|BRN 2873811|Butaclor|Butanex|Caswell No. 119B|Delchlor|Delchlor 5G|EINECS 245-477-8|EPA Pesticide Chemical Code 112301|Hiltachlor|Mach-Mach|Machete|Machette|N-(butoximetil)-2-cloro-2',6'-dietilacetanilida|N-(Butoxymethyl)-2-chlor-2',6'-diethylacetanilid|N-(butoxymethyl)-2-chloro-2',6'-diethylacetanilide|N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide|N-Butoxymethyl-alpha-chloro-2',6'-diethylacetanilide|NSC 221683|Pillarsete|Rasayanchlor|UNII-94NU90OO5K|Weedout|130661-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034402
ARPathway2016 ARPathway2016_798 Butafenacil 134605-64-4 DTXSID9034365 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CN1C(=O)N(C(=O)C=C1C(F)(F)F)C1=CC(C(=O)OC(C)(C)C(=O)OCC=C)=C(Cl)C=C1 Butafenacil 134605-64-4|Butafenacil|(2-allyloxy-1,1-dimethyl-2-oxo-ethyl) 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidin-1-yl]benzoate|2-Chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]benzoic acid 1-allyloxycarbonyl-1-methylethyl ester|Benzoic acid, 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester|Benzoic acid, 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester|Butafenacil allyl|CGA-276854|Fluobutracil|Nanogen Index code BUL|UNII-7Z141CCP2R|252205-33-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034365
ARPathway2016 ARPathway2016_798 Butafenacil 134605-64-4 DTXSID9034365 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CN1C(=O)N(C(=O)C=C1C(F)(F)F)C1=CC(C(=O)OC(C)(C)C(=O)OCC=C)=C(Cl)C=C1 Butafenacil 134605-64-4|Butafenacil|(2-allyloxy-1,1-dimethyl-2-oxo-ethyl) 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidin-1-yl]benzoate|2-Chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]benzoic acid 1-allyloxycarbonyl-1-methylethyl ester|Benzoic acid, 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester|Benzoic acid, 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester|Butafenacil allyl|CGA-276854|Fluobutracil|Nanogen Index code BUL|UNII-7Z141CCP2R|252205-33-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034365
ARPathway2016 ARPathway2016_798 Butafenacil 134605-64-4 DTXSID9034365 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CN1C(=O)N(C(=O)C=C1C(F)(F)F)C1=CC(C(=O)OC(C)(C)C(=O)OCC=C)=C(Cl)C=C1 Butafenacil 134605-64-4|Butafenacil|(2-allyloxy-1,1-dimethyl-2-oxo-ethyl) 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidin-1-yl]benzoate|2-Chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]benzoic acid 1-allyloxycarbonyl-1-methylethyl ester|Benzoic acid, 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester|Benzoic acid, 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester|Butafenacil allyl|CGA-276854|Fluobutracil|Nanogen Index code BUL|UNII-7Z141CCP2R|252205-33-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034365
ARPathway2016 ARPathway2016_798 Butafenacil 134605-64-4 DTXSID9034365 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CN1C(=O)N(C(=O)C=C1C(F)(F)F)C1=CC(C(=O)OC(C)(C)C(=O)OCC=C)=C(Cl)C=C1 Butafenacil 134605-64-4|Butafenacil|(2-allyloxy-1,1-dimethyl-2-oxo-ethyl) 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidin-1-yl]benzoate|2-Chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]benzoic acid 1-allyloxycarbonyl-1-methylethyl ester|Benzoic acid, 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester|Benzoic acid, 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester|Butafenacil allyl|CGA-276854|Fluobutracil|Nanogen Index code BUL|UNII-7Z141CCP2R|252205-33-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034365
ERPathway2016 ERPathway2016_655 Butafenacil 134605-64-4 DTXSID9034365 A18 ER Pathway Model, Agonist Model Score 0 Unitless CN1C(=O)N(C(=O)C=C1C(F)(F)F)C1=CC(C(=O)OC(C)(C)C(=O)OCC=C)=C(Cl)C=C1 Butafenacil 134605-64-4|Butafenacil|(2-allyloxy-1,1-dimethyl-2-oxo-ethyl) 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidin-1-yl]benzoate|2-Chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]benzoic acid 1-allyloxycarbonyl-1-methylethyl ester|Benzoic acid, 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester|Benzoic acid, 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester|Butafenacil allyl|CGA-276854|Fluobutracil|Nanogen Index code BUL|UNII-7Z141CCP2R|252205-33-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034365
ERPathway2016 ERPathway2016_655 Butafenacil 134605-64-4 DTXSID9034365 A18 ER Pathway Model, Antagonist Model Score 0 Unitless CN1C(=O)N(C(=O)C=C1C(F)(F)F)C1=CC(C(=O)OC(C)(C)C(=O)OCC=C)=C(Cl)C=C1 Butafenacil 134605-64-4|Butafenacil|(2-allyloxy-1,1-dimethyl-2-oxo-ethyl) 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidin-1-yl]benzoate|2-Chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]benzoic acid 1-allyloxycarbonyl-1-methylethyl ester|Benzoic acid, 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester|Benzoic acid, 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester|Butafenacil allyl|CGA-276854|Fluobutracil|Nanogen Index code BUL|UNII-7Z141CCP2R|252205-33-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034365
ERPathway2016 ERPathway2016_655 Butafenacil 134605-64-4 DTXSID9034365 A18 ER Pathway Model, Agonist Call Inactive Unitless CN1C(=O)N(C(=O)C=C1C(F)(F)F)C1=CC(C(=O)OC(C)(C)C(=O)OCC=C)=C(Cl)C=C1 Butafenacil 134605-64-4|Butafenacil|(2-allyloxy-1,1-dimethyl-2-oxo-ethyl) 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidin-1-yl]benzoate|2-Chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]benzoic acid 1-allyloxycarbonyl-1-methylethyl ester|Benzoic acid, 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester|Benzoic acid, 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester|Butafenacil allyl|CGA-276854|Fluobutracil|Nanogen Index code BUL|UNII-7Z141CCP2R|252205-33-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034365
ERPathway2016 ERPathway2016_655 Butafenacil 134605-64-4 DTXSID9034365 A18 ER Pathway Model, Antagonist Call Inactive Unitless CN1C(=O)N(C(=O)C=C1C(F)(F)F)C1=CC(C(=O)OC(C)(C)C(=O)OCC=C)=C(Cl)C=C1 Butafenacil 134605-64-4|Butafenacil|(2-allyloxy-1,1-dimethyl-2-oxo-ethyl) 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidin-1-yl]benzoate|2-Chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]benzoic acid 1-allyloxycarbonyl-1-methylethyl ester|Benzoic acid, 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-, 1,1-dimethyl-2-oxo-2-(2-propen-1-yloxy)ethyl ester|Benzoic acid, 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester|Butafenacil allyl|CGA-276854|Fluobutracil|Nanogen Index code BUL|UNII-7Z141CCP2R|252205-33-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034365
ARPathway2016 ARPathway2016_1163 Butam 35256-85-0 DTXSID5041691 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C Butam 35256-85-0|Butam|2,2-Dimethyl-N-(1-methylethyl)-N-(phenylmethyl)propanamide|BRN 2838127|Caswell No. 083EE|Comodor|EC No.: 252-470-3|EINECS 252-470-3|EPA Pesticide Chemical Code 219500|N-Benzyl-N-isopropyl-2,2-dimethylpropanamide|N-benzyl-N-isopropyl-2,2-dimethylpropionamide|N-benzyl-N-isopropylpivalamide|N-Benzyl-N-isopropyltrimethylacetamide|Propanamide, 2,2-dimethyl-N-(1-methylethyl)-N-(phenylmethyl)-|Tebutam|Tebutame|UNII-43Q5P667CM https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041691
ARPathway2016 ARPathway2016_1163 Butam 35256-85-0 DTXSID5041691 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C Butam 35256-85-0|Butam|2,2-Dimethyl-N-(1-methylethyl)-N-(phenylmethyl)propanamide|BRN 2838127|Caswell No. 083EE|Comodor|EC No.: 252-470-3|EINECS 252-470-3|EPA Pesticide Chemical Code 219500|N-Benzyl-N-isopropyl-2,2-dimethylpropanamide|N-benzyl-N-isopropyl-2,2-dimethylpropionamide|N-benzyl-N-isopropylpivalamide|N-Benzyl-N-isopropyltrimethylacetamide|Propanamide, 2,2-dimethyl-N-(1-methylethyl)-N-(phenylmethyl)-|Tebutam|Tebutame|UNII-43Q5P667CM https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041691
ARPathway2016 ARPathway2016_1163 Butam 35256-85-0 DTXSID5041691 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C Butam 35256-85-0|Butam|2,2-Dimethyl-N-(1-methylethyl)-N-(phenylmethyl)propanamide|BRN 2838127|Caswell No. 083EE|Comodor|EC No.: 252-470-3|EINECS 252-470-3|EPA Pesticide Chemical Code 219500|N-Benzyl-N-isopropyl-2,2-dimethylpropanamide|N-benzyl-N-isopropyl-2,2-dimethylpropionamide|N-benzyl-N-isopropylpivalamide|N-Benzyl-N-isopropyltrimethylacetamide|Propanamide, 2,2-dimethyl-N-(1-methylethyl)-N-(phenylmethyl)-|Tebutam|Tebutame|UNII-43Q5P667CM https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041691
ARPathway2016 ARPathway2016_1163 Butam 35256-85-0 DTXSID5041691 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C Butam 35256-85-0|Butam|2,2-Dimethyl-N-(1-methylethyl)-N-(phenylmethyl)propanamide|BRN 2838127|Caswell No. 083EE|Comodor|EC No.: 252-470-3|EINECS 252-470-3|EPA Pesticide Chemical Code 219500|N-Benzyl-N-isopropyl-2,2-dimethylpropanamide|N-benzyl-N-isopropyl-2,2-dimethylpropionamide|N-benzyl-N-isopropylpivalamide|N-Benzyl-N-isopropyltrimethylacetamide|Propanamide, 2,2-dimethyl-N-(1-methylethyl)-N-(phenylmethyl)-|Tebutam|Tebutame|UNII-43Q5P667CM https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041691
ERPathway2016 ERPathway2016_253 Butam 35256-85-0 DTXSID5041691 ER Pathway Model, Antagonist AC50 51.8645152838936 uM CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C Butam 35256-85-0|Butam|2,2-Dimethyl-N-(1-methylethyl)-N-(phenylmethyl)propanamide|BRN 2838127|Caswell No. 083EE|Comodor|EC No.: 252-470-3|EINECS 252-470-3|EPA Pesticide Chemical Code 219500|N-Benzyl-N-isopropyl-2,2-dimethylpropanamide|N-benzyl-N-isopropyl-2,2-dimethylpropionamide|N-benzyl-N-isopropylpivalamide|N-Benzyl-N-isopropyltrimethylacetamide|Propanamide, 2,2-dimethyl-N-(1-methylethyl)-N-(phenylmethyl)-|Tebutam|Tebutame|UNII-43Q5P667CM https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041691
ERPathway2016 ERPathway2016_253 Butam 35256-85-0 DTXSID5041691 ER Pathway Model, Antagonist ACC 38.6407239576438 uM CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C Butam 35256-85-0|Butam|2,2-Dimethyl-N-(1-methylethyl)-N-(phenylmethyl)propanamide|BRN 2838127|Caswell No. 083EE|Comodor|EC No.: 252-470-3|EINECS 252-470-3|EPA Pesticide Chemical Code 219500|N-Benzyl-N-isopropyl-2,2-dimethylpropanamide|N-benzyl-N-isopropyl-2,2-dimethylpropionamide|N-benzyl-N-isopropylpivalamide|N-Benzyl-N-isopropyltrimethylacetamide|Propanamide, 2,2-dimethyl-N-(1-methylethyl)-N-(phenylmethyl)-|Tebutam|Tebutame|UNII-43Q5P667CM https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041691
ERPathway2016 ERPathway2016_253 Butam 35256-85-0 DTXSID5041691 ER Pathway Model, Agonist Model Score 0.0822 Unitless CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C Butam 35256-85-0|Butam|2,2-Dimethyl-N-(1-methylethyl)-N-(phenylmethyl)propanamide|BRN 2838127|Caswell No. 083EE|Comodor|EC No.: 252-470-3|EINECS 252-470-3|EPA Pesticide Chemical Code 219500|N-Benzyl-N-isopropyl-2,2-dimethylpropanamide|N-benzyl-N-isopropyl-2,2-dimethylpropionamide|N-benzyl-N-isopropylpivalamide|N-Benzyl-N-isopropyltrimethylacetamide|Propanamide, 2,2-dimethyl-N-(1-methylethyl)-N-(phenylmethyl)-|Tebutam|Tebutame|UNII-43Q5P667CM https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041691
ERPathway2016 ERPathway2016_253 Butam 35256-85-0 DTXSID5041691 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C Butam 35256-85-0|Butam|2,2-Dimethyl-N-(1-methylethyl)-N-(phenylmethyl)propanamide|BRN 2838127|Caswell No. 083EE|Comodor|EC No.: 252-470-3|EINECS 252-470-3|EPA Pesticide Chemical Code 219500|N-Benzyl-N-isopropyl-2,2-dimethylpropanamide|N-benzyl-N-isopropyl-2,2-dimethylpropionamide|N-benzyl-N-isopropylpivalamide|N-Benzyl-N-isopropyltrimethylacetamide|Propanamide, 2,2-dimethyl-N-(1-methylethyl)-N-(phenylmethyl)-|Tebutam|Tebutame|UNII-43Q5P667CM https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041691
ERPathway2016 ERPathway2016_253 Butam 35256-85-0 DTXSID5041691 ER Pathway Model, Agonist Call Inactive Unitless CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C Butam 35256-85-0|Butam|2,2-Dimethyl-N-(1-methylethyl)-N-(phenylmethyl)propanamide|BRN 2838127|Caswell No. 083EE|Comodor|EC No.: 252-470-3|EINECS 252-470-3|EPA Pesticide Chemical Code 219500|N-Benzyl-N-isopropyl-2,2-dimethylpropanamide|N-benzyl-N-isopropyl-2,2-dimethylpropionamide|N-benzyl-N-isopropylpivalamide|N-Benzyl-N-isopropyltrimethylacetamide|Propanamide, 2,2-dimethyl-N-(1-methylethyl)-N-(phenylmethyl)-|Tebutam|Tebutame|UNII-43Q5P667CM https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041691
ERPathway2016 ERPathway2016_253 Butam 35256-85-0 DTXSID5041691 ER Pathway Model, Antagonist Call Active Unitless CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C Butam 35256-85-0|Butam|2,2-Dimethyl-N-(1-methylethyl)-N-(phenylmethyl)propanamide|BRN 2838127|Caswell No. 083EE|Comodor|EC No.: 252-470-3|EINECS 252-470-3|EPA Pesticide Chemical Code 219500|N-Benzyl-N-isopropyl-2,2-dimethylpropanamide|N-benzyl-N-isopropyl-2,2-dimethylpropionamide|N-benzyl-N-isopropylpivalamide|N-Benzyl-N-isopropyltrimethylacetamide|Propanamide, 2,2-dimethyl-N-(1-methylethyl)-N-(phenylmethyl)-|Tebutam|Tebutame|UNII-43Q5P667CM https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041691
ARPathway2016 ARPathway2016_536 Butanedioic acid 110-15-6 DTXSID6023602 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CCC(O)=O Butanedioic acid 110-15-6|Butanedioic acid|1,2-Ethanedicarboxylate|1,2-Ethanedicarboxylic acid|1,4-Butanedioate|1,4-Butanedioic acid|4-02-00-01908|acide butanedioique|Acide succinique|acido succinico|acidum succinicum|Amber acid|Asuccin|BERNSTEINSAEURE|Bernsteinsaure|BRN 1754069|Butandisaeure|Dihydrofumarate|Dihydrofumaric acid|DPhP transformation product "b"|E363|EDHP transformation product "b"|EINECS 203-740-4|Ethylene dicarboxylic acid|Ethylenesuccinic acid|HOOC-CH2-CH2-COOH|Katasuccin|Kyselina jantarova|NSC 106449|NSC 25949|spirit of amber|Succinate|Succinic acid|Succinicum acidum|TCP transformation product "b"|UNII-AB6MNQ6J6L|Wormwood acid|Yantar-antitox|2087491-34-5|623158-99-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023602
ARPathway2016 ARPathway2016_536 Butanedioic acid 110-15-6 DTXSID6023602 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)CCC(O)=O Butanedioic acid 110-15-6|Butanedioic acid|1,2-Ethanedicarboxylate|1,2-Ethanedicarboxylic acid|1,4-Butanedioate|1,4-Butanedioic acid|4-02-00-01908|acide butanedioique|Acide succinique|acido succinico|acidum succinicum|Amber acid|Asuccin|BERNSTEINSAEURE|Bernsteinsaure|BRN 1754069|Butandisaeure|Dihydrofumarate|Dihydrofumaric acid|DPhP transformation product "b"|E363|EDHP transformation product "b"|EINECS 203-740-4|Ethylene dicarboxylic acid|Ethylenesuccinic acid|HOOC-CH2-CH2-COOH|Katasuccin|Kyselina jantarova|NSC 106449|NSC 25949|spirit of amber|Succinate|Succinic acid|Succinicum acidum|TCP transformation product "b"|UNII-AB6MNQ6J6L|Wormwood acid|Yantar-antitox|2087491-34-5|623158-99-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023602
ARPathway2016 ARPathway2016_536 Butanedioic acid 110-15-6 DTXSID6023602 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)CCC(O)=O Butanedioic acid 110-15-6|Butanedioic acid|1,2-Ethanedicarboxylate|1,2-Ethanedicarboxylic acid|1,4-Butanedioate|1,4-Butanedioic acid|4-02-00-01908|acide butanedioique|Acide succinique|acido succinico|acidum succinicum|Amber acid|Asuccin|BERNSTEINSAEURE|Bernsteinsaure|BRN 1754069|Butandisaeure|Dihydrofumarate|Dihydrofumaric acid|DPhP transformation product "b"|E363|EDHP transformation product "b"|EINECS 203-740-4|Ethylene dicarboxylic acid|Ethylenesuccinic acid|HOOC-CH2-CH2-COOH|Katasuccin|Kyselina jantarova|NSC 106449|NSC 25949|spirit of amber|Succinate|Succinic acid|Succinicum acidum|TCP transformation product "b"|UNII-AB6MNQ6J6L|Wormwood acid|Yantar-antitox|2087491-34-5|623158-99-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023602
ARPathway2016 ARPathway2016_536 Butanedioic acid 110-15-6 DTXSID6023602 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)CCC(O)=O Butanedioic acid 110-15-6|Butanedioic acid|1,2-Ethanedicarboxylate|1,2-Ethanedicarboxylic acid|1,4-Butanedioate|1,4-Butanedioic acid|4-02-00-01908|acide butanedioique|Acide succinique|acido succinico|acidum succinicum|Amber acid|Asuccin|BERNSTEINSAEURE|Bernsteinsaure|BRN 1754069|Butandisaeure|Dihydrofumarate|Dihydrofumaric acid|DPhP transformation product "b"|E363|EDHP transformation product "b"|EINECS 203-740-4|Ethylene dicarboxylic acid|Ethylenesuccinic acid|HOOC-CH2-CH2-COOH|Katasuccin|Kyselina jantarova|NSC 106449|NSC 25949|spirit of amber|Succinate|Succinic acid|Succinicum acidum|TCP transformation product "b"|UNII-AB6MNQ6J6L|Wormwood acid|Yantar-antitox|2087491-34-5|623158-99-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023602
ERPathway2016 ERPathway2016_897 Butanedioic acid 110-15-6 DTXSID6023602 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)CCC(O)=O Butanedioic acid 110-15-6|Butanedioic acid|1,2-Ethanedicarboxylate|1,2-Ethanedicarboxylic acid|1,4-Butanedioate|1,4-Butanedioic acid|4-02-00-01908|acide butanedioique|Acide succinique|acido succinico|acidum succinicum|Amber acid|Asuccin|BERNSTEINSAEURE|Bernsteinsaure|BRN 1754069|Butandisaeure|Dihydrofumarate|Dihydrofumaric acid|DPhP transformation product "b"|E363|EDHP transformation product "b"|EINECS 203-740-4|Ethylene dicarboxylic acid|Ethylenesuccinic acid|HOOC-CH2-CH2-COOH|Katasuccin|Kyselina jantarova|NSC 106449|NSC 25949|spirit of amber|Succinate|Succinic acid|Succinicum acidum|TCP transformation product "b"|UNII-AB6MNQ6J6L|Wormwood acid|Yantar-antitox|2087491-34-5|623158-99-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023602
ERPathway2016 ERPathway2016_897 Butanedioic acid 110-15-6 DTXSID6023602 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CCC(O)=O Butanedioic acid 110-15-6|Butanedioic acid|1,2-Ethanedicarboxylate|1,2-Ethanedicarboxylic acid|1,4-Butanedioate|1,4-Butanedioic acid|4-02-00-01908|acide butanedioique|Acide succinique|acido succinico|acidum succinicum|Amber acid|Asuccin|BERNSTEINSAEURE|Bernsteinsaure|BRN 1754069|Butandisaeure|Dihydrofumarate|Dihydrofumaric acid|DPhP transformation product "b"|E363|EDHP transformation product "b"|EINECS 203-740-4|Ethylene dicarboxylic acid|Ethylenesuccinic acid|HOOC-CH2-CH2-COOH|Katasuccin|Kyselina jantarova|NSC 106449|NSC 25949|spirit of amber|Succinate|Succinic acid|Succinicum acidum|TCP transformation product "b"|UNII-AB6MNQ6J6L|Wormwood acid|Yantar-antitox|2087491-34-5|623158-99-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023602
ERPathway2016 ERPathway2016_897 Butanedioic acid 110-15-6 DTXSID6023602 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)CCC(O)=O Butanedioic acid 110-15-6|Butanedioic acid|1,2-Ethanedicarboxylate|1,2-Ethanedicarboxylic acid|1,4-Butanedioate|1,4-Butanedioic acid|4-02-00-01908|acide butanedioique|Acide succinique|acido succinico|acidum succinicum|Amber acid|Asuccin|BERNSTEINSAEURE|Bernsteinsaure|BRN 1754069|Butandisaeure|Dihydrofumarate|Dihydrofumaric acid|DPhP transformation product "b"|E363|EDHP transformation product "b"|EINECS 203-740-4|Ethylene dicarboxylic acid|Ethylenesuccinic acid|HOOC-CH2-CH2-COOH|Katasuccin|Kyselina jantarova|NSC 106449|NSC 25949|spirit of amber|Succinate|Succinic acid|Succinicum acidum|TCP transformation product "b"|UNII-AB6MNQ6J6L|Wormwood acid|Yantar-antitox|2087491-34-5|623158-99-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023602
ERPathway2016 ERPathway2016_897 Butanedioic acid 110-15-6 DTXSID6023602 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)CCC(O)=O Butanedioic acid 110-15-6|Butanedioic acid|1,2-Ethanedicarboxylate|1,2-Ethanedicarboxylic acid|1,4-Butanedioate|1,4-Butanedioic acid|4-02-00-01908|acide butanedioique|Acide succinique|acido succinico|acidum succinicum|Amber acid|Asuccin|BERNSTEINSAEURE|Bernsteinsaure|BRN 1754069|Butandisaeure|Dihydrofumarate|Dihydrofumaric acid|DPhP transformation product "b"|E363|EDHP transformation product "b"|EINECS 203-740-4|Ethylene dicarboxylic acid|Ethylenesuccinic acid|HOOC-CH2-CH2-COOH|Katasuccin|Kyselina jantarova|NSC 106449|NSC 25949|spirit of amber|Succinate|Succinic acid|Succinicum acidum|TCP transformation product "b"|UNII-AB6MNQ6J6L|Wormwood acid|Yantar-antitox|2087491-34-5|623158-99-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023602
ARPathway2016 ARPathway2016_501 Butanoic acid 107-92-6 DTXSID8021515 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC(O)=O Butanoic acid 107-92-6|Butanoic acid|1-butanoic acid|1-Butyrate|1-butyric acid|1-Propanecarboxylate|1-Propanecarboxylic acid|4-02-00-00779|4:0|acide butanoique|Acide butyrique|acido butirico|BRN 0906770|Butanate|butanic acid|Butanoate|butoic acid|BUTTERSAEURE|Buttersaure|Butyric acid|C4:0|CH3-[CH2]2-COOH|EINECS 203-532-3|Ethylacetic acid|FEMA No. 2221|FEMA Number 2221|Honey robber|Kyselina maselna|N-Butanoate|n-Butanoic acid|N-Butyrate|N-BUTYRIC ACID|NSC 8415|Propanecarboxylate|propanecarboxylic acid|Propylformate|Propylformic acid|UN 2820|UNII-40UIR9Q29H https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021515 https://doi.org/10.22427/NTP-DATA-DTXSID8021515
ARPathway2016 ARPathway2016_501 Butanoic acid 107-92-6 DTXSID8021515 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCC(O)=O Butanoic acid 107-92-6|Butanoic acid|1-butanoic acid|1-Butyrate|1-butyric acid|1-Propanecarboxylate|1-Propanecarboxylic acid|4-02-00-00779|4:0|acide butanoique|Acide butyrique|acido butirico|BRN 0906770|Butanate|butanic acid|Butanoate|butoic acid|BUTTERSAEURE|Buttersaure|Butyric acid|C4:0|CH3-[CH2]2-COOH|EINECS 203-532-3|Ethylacetic acid|FEMA No. 2221|FEMA Number 2221|Honey robber|Kyselina maselna|N-Butanoate|n-Butanoic acid|N-Butyrate|N-BUTYRIC ACID|NSC 8415|Propanecarboxylate|propanecarboxylic acid|Propylformate|Propylformic acid|UN 2820|UNII-40UIR9Q29H https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021515 https://doi.org/10.22427/NTP-DATA-DTXSID8021515
ARPathway2016 ARPathway2016_501 Butanoic acid 107-92-6 DTXSID8021515 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCC(O)=O Butanoic acid 107-92-6|Butanoic acid|1-butanoic acid|1-Butyrate|1-butyric acid|1-Propanecarboxylate|1-Propanecarboxylic acid|4-02-00-00779|4:0|acide butanoique|Acide butyrique|acido butirico|BRN 0906770|Butanate|butanic acid|Butanoate|butoic acid|BUTTERSAEURE|Buttersaure|Butyric acid|C4:0|CH3-[CH2]2-COOH|EINECS 203-532-3|Ethylacetic acid|FEMA No. 2221|FEMA Number 2221|Honey robber|Kyselina maselna|N-Butanoate|n-Butanoic acid|N-Butyrate|N-BUTYRIC ACID|NSC 8415|Propanecarboxylate|propanecarboxylic acid|Propylformate|Propylformic acid|UN 2820|UNII-40UIR9Q29H https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021515 https://doi.org/10.22427/NTP-DATA-DTXSID8021515
ARPathway2016 ARPathway2016_501 Butanoic acid 107-92-6 DTXSID8021515 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCC(O)=O Butanoic acid 107-92-6|Butanoic acid|1-butanoic acid|1-Butyrate|1-butyric acid|1-Propanecarboxylate|1-Propanecarboxylic acid|4-02-00-00779|4:0|acide butanoique|Acide butyrique|acido butirico|BRN 0906770|Butanate|butanic acid|Butanoate|butoic acid|BUTTERSAEURE|Buttersaure|Butyric acid|C4:0|CH3-[CH2]2-COOH|EINECS 203-532-3|Ethylacetic acid|FEMA No. 2221|FEMA Number 2221|Honey robber|Kyselina maselna|N-Butanoate|n-Butanoic acid|N-Butyrate|N-BUTYRIC ACID|NSC 8415|Propanecarboxylate|propanecarboxylic acid|Propylformate|Propylformic acid|UN 2820|UNII-40UIR9Q29H https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021515 https://doi.org/10.22427/NTP-DATA-DTXSID8021515
ERPathway2016 ERPathway2016_1105 Butanoic acid 107-92-6 DTXSID8021515 ER Pathway Model, Agonist Model Score 0 Unitless CCCC(O)=O Butanoic acid 107-92-6|Butanoic acid|1-butanoic acid|1-Butyrate|1-butyric acid|1-Propanecarboxylate|1-Propanecarboxylic acid|4-02-00-00779|4:0|acide butanoique|Acide butyrique|acido butirico|BRN 0906770|Butanate|butanic acid|Butanoate|butoic acid|BUTTERSAEURE|Buttersaure|Butyric acid|C4:0|CH3-[CH2]2-COOH|EINECS 203-532-3|Ethylacetic acid|FEMA No. 2221|FEMA Number 2221|Honey robber|Kyselina maselna|N-Butanoate|n-Butanoic acid|N-Butyrate|N-BUTYRIC ACID|NSC 8415|Propanecarboxylate|propanecarboxylic acid|Propylformate|Propylformic acid|UN 2820|UNII-40UIR9Q29H https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021515 https://doi.org/10.22427/NTP-DATA-DTXSID8021515
ERPathway2016 ERPathway2016_1105 Butanoic acid 107-92-6 DTXSID8021515 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC(O)=O Butanoic acid 107-92-6|Butanoic acid|1-butanoic acid|1-Butyrate|1-butyric acid|1-Propanecarboxylate|1-Propanecarboxylic acid|4-02-00-00779|4:0|acide butanoique|Acide butyrique|acido butirico|BRN 0906770|Butanate|butanic acid|Butanoate|butoic acid|BUTTERSAEURE|Buttersaure|Butyric acid|C4:0|CH3-[CH2]2-COOH|EINECS 203-532-3|Ethylacetic acid|FEMA No. 2221|FEMA Number 2221|Honey robber|Kyselina maselna|N-Butanoate|n-Butanoic acid|N-Butyrate|N-BUTYRIC ACID|NSC 8415|Propanecarboxylate|propanecarboxylic acid|Propylformate|Propylformic acid|UN 2820|UNII-40UIR9Q29H https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021515 https://doi.org/10.22427/NTP-DATA-DTXSID8021515
ERPathway2016 ERPathway2016_1105 Butanoic acid 107-92-6 DTXSID8021515 ER Pathway Model, Agonist Call Inactive Unitless CCCC(O)=O Butanoic acid 107-92-6|Butanoic acid|1-butanoic acid|1-Butyrate|1-butyric acid|1-Propanecarboxylate|1-Propanecarboxylic acid|4-02-00-00779|4:0|acide butanoique|Acide butyrique|acido butirico|BRN 0906770|Butanate|butanic acid|Butanoate|butoic acid|BUTTERSAEURE|Buttersaure|Butyric acid|C4:0|CH3-[CH2]2-COOH|EINECS 203-532-3|Ethylacetic acid|FEMA No. 2221|FEMA Number 2221|Honey robber|Kyselina maselna|N-Butanoate|n-Butanoic acid|N-Butyrate|N-BUTYRIC ACID|NSC 8415|Propanecarboxylate|propanecarboxylic acid|Propylformate|Propylformic acid|UN 2820|UNII-40UIR9Q29H https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021515 https://doi.org/10.22427/NTP-DATA-DTXSID8021515
ERPathway2016 ERPathway2016_1105 Butanoic acid 107-92-6 DTXSID8021515 ER Pathway Model, Antagonist Call Inactive Unitless CCCC(O)=O Butanoic acid 107-92-6|Butanoic acid|1-butanoic acid|1-Butyrate|1-butyric acid|1-Propanecarboxylate|1-Propanecarboxylic acid|4-02-00-00779|4:0|acide butanoique|Acide butyrique|acido butirico|BRN 0906770|Butanate|butanic acid|Butanoate|butoic acid|BUTTERSAEURE|Buttersaure|Butyric acid|C4:0|CH3-[CH2]2-COOH|EINECS 203-532-3|Ethylacetic acid|FEMA No. 2221|FEMA Number 2221|Honey robber|Kyselina maselna|N-Butanoate|n-Butanoic acid|N-Butyrate|N-BUTYRIC ACID|NSC 8415|Propanecarboxylate|propanecarboxylic acid|Propylformate|Propylformic acid|UN 2820|UNII-40UIR9Q29H https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021515 https://doi.org/10.22427/NTP-DATA-DTXSID8021515
ARPathway2016 ARPathway2016_1154 Butralin 33629-47-9 DTXSID3032337 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(C)NC1=C(C=C(C=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O Butralin 33629-47-9|Butralin|Amchem 70-25|Amchem A-280|Aniline, N-sec-butyl-4-tert-butyl-2,6-dinitro-|Benzenamine, 4-(1,1-dimethylethyl)-N-(1-methylpropyl)-2,6-dinitro-|BRN 2947948|Butraline|Caswell No. 125E|Dibutalin|EINECS 251-607-4|EPA Pesticide Chemical Code 106501|N-sec-Butyl-4-tert-butyl-2,6-dinitroaniline|N-sec-Butyl-4-tert-butyl-2,6-dinitrobenzamine|Rutralin|Technical AMEX-820|UNII-5CZK3K1YPB|Zitsaosol|12676-07-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032337
ARPathway2016 ARPathway2016_1154 Butralin 33629-47-9 DTXSID3032337 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)NC1=C(C=C(C=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O Butralin 33629-47-9|Butralin|Amchem 70-25|Amchem A-280|Aniline, N-sec-butyl-4-tert-butyl-2,6-dinitro-|Benzenamine, 4-(1,1-dimethylethyl)-N-(1-methylpropyl)-2,6-dinitro-|BRN 2947948|Butraline|Caswell No. 125E|Dibutalin|EINECS 251-607-4|EPA Pesticide Chemical Code 106501|N-sec-Butyl-4-tert-butyl-2,6-dinitroaniline|N-sec-Butyl-4-tert-butyl-2,6-dinitrobenzamine|Rutralin|Technical AMEX-820|UNII-5CZK3K1YPB|Zitsaosol|12676-07-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032337
ARPathway2016 ARPathway2016_1154 Butralin 33629-47-9 DTXSID3032337 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CCC(C)NC1=C(C=C(C=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O Butralin 33629-47-9|Butralin|Amchem 70-25|Amchem A-280|Aniline, N-sec-butyl-4-tert-butyl-2,6-dinitro-|Benzenamine, 4-(1,1-dimethylethyl)-N-(1-methylpropyl)-2,6-dinitro-|BRN 2947948|Butraline|Caswell No. 125E|Dibutalin|EINECS 251-607-4|EPA Pesticide Chemical Code 106501|N-sec-Butyl-4-tert-butyl-2,6-dinitroaniline|N-sec-Butyl-4-tert-butyl-2,6-dinitrobenzamine|Rutralin|Technical AMEX-820|UNII-5CZK3K1YPB|Zitsaosol|12676-07-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032337
ARPathway2016 ARPathway2016_1154 Butralin 33629-47-9 DTXSID3032337 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)NC1=C(C=C(C=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O Butralin 33629-47-9|Butralin|Amchem 70-25|Amchem A-280|Aniline, N-sec-butyl-4-tert-butyl-2,6-dinitro-|Benzenamine, 4-(1,1-dimethylethyl)-N-(1-methylpropyl)-2,6-dinitro-|BRN 2947948|Butraline|Caswell No. 125E|Dibutalin|EINECS 251-607-4|EPA Pesticide Chemical Code 106501|N-sec-Butyl-4-tert-butyl-2,6-dinitroaniline|N-sec-Butyl-4-tert-butyl-2,6-dinitrobenzamine|Rutralin|Technical AMEX-820|UNII-5CZK3K1YPB|Zitsaosol|12676-07-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032337
ERPathway2016 ERPathway2016_287 Butralin 33629-47-9 DTXSID3032337 ER Pathway Model, Antagonist AC50 12.7355611035802 uM CCC(C)NC1=C(C=C(C=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O Butralin 33629-47-9|Butralin|Amchem 70-25|Amchem A-280|Aniline, N-sec-butyl-4-tert-butyl-2,6-dinitro-|Benzenamine, 4-(1,1-dimethylethyl)-N-(1-methylpropyl)-2,6-dinitro-|BRN 2947948|Butraline|Caswell No. 125E|Dibutalin|EINECS 251-607-4|EPA Pesticide Chemical Code 106501|N-sec-Butyl-4-tert-butyl-2,6-dinitroaniline|N-sec-Butyl-4-tert-butyl-2,6-dinitrobenzamine|Rutralin|Technical AMEX-820|UNII-5CZK3K1YPB|Zitsaosol|12676-07-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032337
ERPathway2016 ERPathway2016_287 Butralin 33629-47-9 DTXSID3032337 ER Pathway Model, Antagonist ACC 11.5124316521642 uM CCC(C)NC1=C(C=C(C=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O Butralin 33629-47-9|Butralin|Amchem 70-25|Amchem A-280|Aniline, N-sec-butyl-4-tert-butyl-2,6-dinitro-|Benzenamine, 4-(1,1-dimethylethyl)-N-(1-methylpropyl)-2,6-dinitro-|BRN 2947948|Butraline|Caswell No. 125E|Dibutalin|EINECS 251-607-4|EPA Pesticide Chemical Code 106501|N-sec-Butyl-4-tert-butyl-2,6-dinitroaniline|N-sec-Butyl-4-tert-butyl-2,6-dinitrobenzamine|Rutralin|Technical AMEX-820|UNII-5CZK3K1YPB|Zitsaosol|12676-07-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032337
ERPathway2016 ERPathway2016_287 Butralin 33629-47-9 DTXSID3032337 ER Pathway Model, Agonist Model Score 0.0426 Unitless CCC(C)NC1=C(C=C(C=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O Butralin 33629-47-9|Butralin|Amchem 70-25|Amchem A-280|Aniline, N-sec-butyl-4-tert-butyl-2,6-dinitro-|Benzenamine, 4-(1,1-dimethylethyl)-N-(1-methylpropyl)-2,6-dinitro-|BRN 2947948|Butraline|Caswell No. 125E|Dibutalin|EINECS 251-607-4|EPA Pesticide Chemical Code 106501|N-sec-Butyl-4-tert-butyl-2,6-dinitroaniline|N-sec-Butyl-4-tert-butyl-2,6-dinitrobenzamine|Rutralin|Technical AMEX-820|UNII-5CZK3K1YPB|Zitsaosol|12676-07-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032337
ERPathway2016 ERPathway2016_287 Butralin 33629-47-9 DTXSID3032337 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)NC1=C(C=C(C=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O Butralin 33629-47-9|Butralin|Amchem 70-25|Amchem A-280|Aniline, N-sec-butyl-4-tert-butyl-2,6-dinitro-|Benzenamine, 4-(1,1-dimethylethyl)-N-(1-methylpropyl)-2,6-dinitro-|BRN 2947948|Butraline|Caswell No. 125E|Dibutalin|EINECS 251-607-4|EPA Pesticide Chemical Code 106501|N-sec-Butyl-4-tert-butyl-2,6-dinitroaniline|N-sec-Butyl-4-tert-butyl-2,6-dinitrobenzamine|Rutralin|Technical AMEX-820|UNII-5CZK3K1YPB|Zitsaosol|12676-07-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032337
ERPathway2016 ERPathway2016_287 Butralin 33629-47-9 DTXSID3032337 ER Pathway Model, Agonist Call Inactive Unitless CCC(C)NC1=C(C=C(C=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O Butralin 33629-47-9|Butralin|Amchem 70-25|Amchem A-280|Aniline, N-sec-butyl-4-tert-butyl-2,6-dinitro-|Benzenamine, 4-(1,1-dimethylethyl)-N-(1-methylpropyl)-2,6-dinitro-|BRN 2947948|Butraline|Caswell No. 125E|Dibutalin|EINECS 251-607-4|EPA Pesticide Chemical Code 106501|N-sec-Butyl-4-tert-butyl-2,6-dinitroaniline|N-sec-Butyl-4-tert-butyl-2,6-dinitrobenzamine|Rutralin|Technical AMEX-820|UNII-5CZK3K1YPB|Zitsaosol|12676-07-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032337
ERPathway2016 ERPathway2016_287 Butralin 33629-47-9 DTXSID3032337 ER Pathway Model, Antagonist Call Active Unitless CCC(C)NC1=C(C=C(C=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O Butralin 33629-47-9|Butralin|Amchem 70-25|Amchem A-280|Aniline, N-sec-butyl-4-tert-butyl-2,6-dinitro-|Benzenamine, 4-(1,1-dimethylethyl)-N-(1-methylpropyl)-2,6-dinitro-|BRN 2947948|Butraline|Caswell No. 125E|Dibutalin|EINECS 251-607-4|EPA Pesticide Chemical Code 106501|N-sec-Butyl-4-tert-butyl-2,6-dinitroaniline|N-sec-Butyl-4-tert-butyl-2,6-dinitrobenzamine|Rutralin|Technical AMEX-820|UNII-5CZK3K1YPB|Zitsaosol|12676-07-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032337
ARPathway2016 ARPathway2016_1584 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6 DTXSID0034855 0.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6|Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|(+)-Fluazifop-butyl|(R)-2-[ 4-( 5-trifluoromethyl-pyridin-2-yloxy)-phenoxy ]prop ionic acid butyl ester|(R)-Butyl-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid|616-669-2|butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate|Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2pyridinyl] oxy]phenoxy]propanoate|Butyl (R)-2-(4-(5-trifluoromethyl)-2-pyridyloxy)phenoxypropionate|butyl (R)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate|Butyl(R)-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxyl]propionic acid|CGA 149108|CGA149108|EC No.: 616-669-2|Fluazifop-P-butyl|Fusilade 2000|Fusilade DX|Fusilade forte|Fusilade II|Fusilade S|Fusilade Super|PC 122809|PC Code 122809|PP005 2E Herbicide|Propanoic acid, 2-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, butyl ester, (R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (R)-|R154875|UNII-N99K0AJ91S https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034855
ARPathway2016 ARPathway2016_1584 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6 DTXSID0034855 0.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6|Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|(+)-Fluazifop-butyl|(R)-2-[ 4-( 5-trifluoromethyl-pyridin-2-yloxy)-phenoxy ]prop ionic acid butyl ester|(R)-Butyl-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid|616-669-2|butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate|Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2pyridinyl] oxy]phenoxy]propanoate|Butyl (R)-2-(4-(5-trifluoromethyl)-2-pyridyloxy)phenoxypropionate|butyl (R)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate|Butyl(R)-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxyl]propionic acid|CGA 149108|CGA149108|EC No.: 616-669-2|Fluazifop-P-butyl|Fusilade 2000|Fusilade DX|Fusilade forte|Fusilade II|Fusilade S|Fusilade Super|PC 122809|PC Code 122809|PP005 2E Herbicide|Propanoic acid, 2-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, butyl ester, (R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (R)-|R154875|UNII-N99K0AJ91S https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034855
ARPathway2016 ARPathway2016_1584 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6 DTXSID0034855 0.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6|Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|(+)-Fluazifop-butyl|(R)-2-[ 4-( 5-trifluoromethyl-pyridin-2-yloxy)-phenoxy ]prop ionic acid butyl ester|(R)-Butyl-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid|616-669-2|butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate|Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2pyridinyl] oxy]phenoxy]propanoate|Butyl (R)-2-(4-(5-trifluoromethyl)-2-pyridyloxy)phenoxypropionate|butyl (R)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate|Butyl(R)-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxyl]propionic acid|CGA 149108|CGA149108|EC No.: 616-669-2|Fluazifop-P-butyl|Fusilade 2000|Fusilade DX|Fusilade forte|Fusilade II|Fusilade S|Fusilade Super|PC 122809|PC Code 122809|PP005 2E Herbicide|Propanoic acid, 2-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, butyl ester, (R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (R)-|R154875|UNII-N99K0AJ91S https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034855
ARPathway2016 ARPathway2016_1584 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6 DTXSID0034855 0.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6|Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|(+)-Fluazifop-butyl|(R)-2-[ 4-( 5-trifluoromethyl-pyridin-2-yloxy)-phenoxy ]prop ionic acid butyl ester|(R)-Butyl-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid|616-669-2|butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate|Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2pyridinyl] oxy]phenoxy]propanoate|Butyl (R)-2-(4-(5-trifluoromethyl)-2-pyridyloxy)phenoxypropionate|butyl (R)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate|Butyl(R)-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxyl]propionic acid|CGA 149108|CGA149108|EC No.: 616-669-2|Fluazifop-P-butyl|Fusilade 2000|Fusilade DX|Fusilade forte|Fusilade II|Fusilade S|Fusilade Super|PC 122809|PC Code 122809|PP005 2E Herbicide|Propanoic acid, 2-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, butyl ester, (R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (R)-|R154875|UNII-N99K0AJ91S https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034855
ERPathway2016 ERPathway2016_317 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6 DTXSID0034855 ER Pathway Model, Antagonist AC50 48.4486559234664 uM CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6|Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|(+)-Fluazifop-butyl|(R)-2-[ 4-( 5-trifluoromethyl-pyridin-2-yloxy)-phenoxy ]prop ionic acid butyl ester|(R)-Butyl-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid|616-669-2|butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate|Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2pyridinyl] oxy]phenoxy]propanoate|Butyl (R)-2-(4-(5-trifluoromethyl)-2-pyridyloxy)phenoxypropionate|butyl (R)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate|Butyl(R)-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxyl]propionic acid|CGA 149108|CGA149108|EC No.: 616-669-2|Fluazifop-P-butyl|Fusilade 2000|Fusilade DX|Fusilade forte|Fusilade II|Fusilade S|Fusilade Super|PC 122809|PC Code 122809|PP005 2E Herbicide|Propanoic acid, 2-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, butyl ester, (R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (R)-|R154875|UNII-N99K0AJ91S https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034855
ERPathway2016 ERPathway2016_317 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6 DTXSID0034855 ER Pathway Model, Antagonist ACC 48.216951982361 uM CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6|Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|(+)-Fluazifop-butyl|(R)-2-[ 4-( 5-trifluoromethyl-pyridin-2-yloxy)-phenoxy ]prop ionic acid butyl ester|(R)-Butyl-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid|616-669-2|butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate|Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2pyridinyl] oxy]phenoxy]propanoate|Butyl (R)-2-(4-(5-trifluoromethyl)-2-pyridyloxy)phenoxypropionate|butyl (R)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate|Butyl(R)-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxyl]propionic acid|CGA 149108|CGA149108|EC No.: 616-669-2|Fluazifop-P-butyl|Fusilade 2000|Fusilade DX|Fusilade forte|Fusilade II|Fusilade S|Fusilade Super|PC 122809|PC Code 122809|PP005 2E Herbicide|Propanoic acid, 2-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, butyl ester, (R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (R)-|R154875|UNII-N99K0AJ91S https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034855
ERPathway2016 ERPathway2016_317 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6 DTXSID0034855 ER Pathway Model, Agonist Model Score 0.0272 Unitless CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6|Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|(+)-Fluazifop-butyl|(R)-2-[ 4-( 5-trifluoromethyl-pyridin-2-yloxy)-phenoxy ]prop ionic acid butyl ester|(R)-Butyl-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid|616-669-2|butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate|Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2pyridinyl] oxy]phenoxy]propanoate|Butyl (R)-2-(4-(5-trifluoromethyl)-2-pyridyloxy)phenoxypropionate|butyl (R)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate|Butyl(R)-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxyl]propionic acid|CGA 149108|CGA149108|EC No.: 616-669-2|Fluazifop-P-butyl|Fusilade 2000|Fusilade DX|Fusilade forte|Fusilade II|Fusilade S|Fusilade Super|PC 122809|PC Code 122809|PP005 2E Herbicide|Propanoic acid, 2-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, butyl ester, (R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (R)-|R154875|UNII-N99K0AJ91S https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034855
ERPathway2016 ERPathway2016_317 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6 DTXSID0034855 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6|Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|(+)-Fluazifop-butyl|(R)-2-[ 4-( 5-trifluoromethyl-pyridin-2-yloxy)-phenoxy ]prop ionic acid butyl ester|(R)-Butyl-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid|616-669-2|butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate|Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2pyridinyl] oxy]phenoxy]propanoate|Butyl (R)-2-(4-(5-trifluoromethyl)-2-pyridyloxy)phenoxypropionate|butyl (R)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate|Butyl(R)-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxyl]propionic acid|CGA 149108|CGA149108|EC No.: 616-669-2|Fluazifop-P-butyl|Fusilade 2000|Fusilade DX|Fusilade forte|Fusilade II|Fusilade S|Fusilade Super|PC 122809|PC Code 122809|PP005 2E Herbicide|Propanoic acid, 2-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, butyl ester, (R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (R)-|R154875|UNII-N99K0AJ91S https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034855
ERPathway2016 ERPathway2016_317 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6 DTXSID0034855 ER Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6|Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|(+)-Fluazifop-butyl|(R)-2-[ 4-( 5-trifluoromethyl-pyridin-2-yloxy)-phenoxy ]prop ionic acid butyl ester|(R)-Butyl-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid|616-669-2|butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate|Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2pyridinyl] oxy]phenoxy]propanoate|Butyl (R)-2-(4-(5-trifluoromethyl)-2-pyridyloxy)phenoxypropionate|butyl (R)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate|Butyl(R)-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxyl]propionic acid|CGA 149108|CGA149108|EC No.: 616-669-2|Fluazifop-P-butyl|Fusilade 2000|Fusilade DX|Fusilade forte|Fusilade II|Fusilade S|Fusilade Super|PC 122809|PC Code 122809|PP005 2E Herbicide|Propanoic acid, 2-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, butyl ester, (R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (R)-|R154875|UNII-N99K0AJ91S https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034855
ERPathway2016 ERPathway2016_317 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6 DTXSID0034855 ER Pathway Model, Antagonist Call Active Unitless CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate 79241-46-6|Butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|(+)-Fluazifop-butyl|(R)-2-[ 4-( 5-trifluoromethyl-pyridin-2-yloxy)-phenoxy ]prop ionic acid butyl ester|(R)-Butyl-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid|616-669-2|butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate|Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2pyridinyl] oxy]phenoxy]propanoate|Butyl (R)-2-(4-(5-trifluoromethyl)-2-pyridyloxy)phenoxypropionate|butyl (R)-2-{4-[5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate|Butyl(R)-2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxyl]propionic acid|CGA 149108|CGA149108|EC No.: 616-669-2|Fluazifop-P-butyl|Fusilade 2000|Fusilade DX|Fusilade forte|Fusilade II|Fusilade S|Fusilade Super|PC 122809|PC Code 122809|PP005 2E Herbicide|Propanoic acid, 2-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, butyl ester, (R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (R)-|R154875|UNII-N99K0AJ91S https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034855
ARPathway2016 ARPathway2016_1158 Butyl (2S)-2-hydroxypropanoate 34451-19-9 DTXSID4042335 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)[C@H](C)O Butyl (2S)-2-hydroxypropanoate 34451-19-9|Butyl (2S)-2-hydroxypropanoate|EINECS 252-036-3|Propanoic acid, 2-hydroxy-, butyl ester, (2S)- ((-)-Butyl L-lactate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042335
ARPathway2016 ARPathway2016_1158 Butyl (2S)-2-hydroxypropanoate 34451-19-9 DTXSID4042335 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)[C@H](C)O Butyl (2S)-2-hydroxypropanoate 34451-19-9|Butyl (2S)-2-hydroxypropanoate|EINECS 252-036-3|Propanoic acid, 2-hydroxy-, butyl ester, (2S)- ((-)-Butyl L-lactate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042335
ARPathway2016 ARPathway2016_1158 Butyl (2S)-2-hydroxypropanoate 34451-19-9 DTXSID4042335 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)[C@H](C)O Butyl (2S)-2-hydroxypropanoate 34451-19-9|Butyl (2S)-2-hydroxypropanoate|EINECS 252-036-3|Propanoic acid, 2-hydroxy-, butyl ester, (2S)- ((-)-Butyl L-lactate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042335
ARPathway2016 ARPathway2016_1158 Butyl (2S)-2-hydroxypropanoate 34451-19-9 DTXSID4042335 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)[C@H](C)O Butyl (2S)-2-hydroxypropanoate 34451-19-9|Butyl (2S)-2-hydroxypropanoate|EINECS 252-036-3|Propanoic acid, 2-hydroxy-, butyl ester, (2S)- ((-)-Butyl L-lactate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042335
ERPathway2016 ERPathway2016_1460 Butyl (2S)-2-hydroxypropanoate 34451-19-9 DTXSID4042335 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)[C@H](C)O Butyl (2S)-2-hydroxypropanoate 34451-19-9|Butyl (2S)-2-hydroxypropanoate|EINECS 252-036-3|Propanoic acid, 2-hydroxy-, butyl ester, (2S)- ((-)-Butyl L-lactate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042335
ERPathway2016 ERPathway2016_1460 Butyl (2S)-2-hydroxypropanoate 34451-19-9 DTXSID4042335 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)[C@H](C)O Butyl (2S)-2-hydroxypropanoate 34451-19-9|Butyl (2S)-2-hydroxypropanoate|EINECS 252-036-3|Propanoic acid, 2-hydroxy-, butyl ester, (2S)- ((-)-Butyl L-lactate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042335
ERPathway2016 ERPathway2016_1460 Butyl (2S)-2-hydroxypropanoate 34451-19-9 DTXSID4042335 ER Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)[C@H](C)O Butyl (2S)-2-hydroxypropanoate 34451-19-9|Butyl (2S)-2-hydroxypropanoate|EINECS 252-036-3|Propanoic acid, 2-hydroxy-, butyl ester, (2S)- ((-)-Butyl L-lactate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042335
ERPathway2016 ERPathway2016_1460 Butyl (2S)-2-hydroxypropanoate 34451-19-9 DTXSID4042335 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)[C@H](C)O Butyl (2S)-2-hydroxypropanoate 34451-19-9|Butyl (2S)-2-hydroxypropanoate|EINECS 252-036-3|Propanoic acid, 2-hydroxy-, butyl ester, (2S)- ((-)-Butyl L-lactate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042335
ARPathway2016 ARPathway2016_836 Butyl acrylate 141-32-2 DTXSID6024676 1.0 R6 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)C=C Butyl acrylate 141-32-2|Butyl acrylate|2-Propenoic acid butyl ester|2-Propenoic acid, butyl ester|2-Propenoic acid, n-butyl ester|4-02-00-01463|acrilato de butilo|Acrylate de butyle|ACRYLATE, BUTYL|Acrylic acid butyl ester|Acrylic acid n-butyl ester|ACRYLIC ACID, BUTYL ESTER|ACRYLSAEURE-BUTYLESTER|BA 100PPM|BRN 1749970|Butan-1-yl acrylate|Butyl 2-propenoate|Butyl propenoate|Butylacrylat|Butylester kyseliny akrylove|DL 325|EINECS 205-480-7|EM 24|n-Butyl acrylate|n-Butyl propenoate|NSC 5163|PROP-2-ENOATE, BUTYL|UN 2348|UN 2348 (DOT)|UNII-705NM8U35V|YDCN 330-607P|126492-54-4|1361383-41-6|1453490-09-9|220713-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024676 https://doi.org/10.22427/NTP-DATA-DTXSID6024676
ARPathway2016 ARPathway2016_836 Butyl acrylate 141-32-2 DTXSID6024676 1.0 R6 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)C=C Butyl acrylate 141-32-2|Butyl acrylate|2-Propenoic acid butyl ester|2-Propenoic acid, butyl ester|2-Propenoic acid, n-butyl ester|4-02-00-01463|acrilato de butilo|Acrylate de butyle|ACRYLATE, BUTYL|Acrylic acid butyl ester|Acrylic acid n-butyl ester|ACRYLIC ACID, BUTYL ESTER|ACRYLSAEURE-BUTYLESTER|BA 100PPM|BRN 1749970|Butan-1-yl acrylate|Butyl 2-propenoate|Butyl propenoate|Butylacrylat|Butylester kyseliny akrylove|DL 325|EINECS 205-480-7|EM 24|n-Butyl acrylate|n-Butyl propenoate|NSC 5163|PROP-2-ENOATE, BUTYL|UN 2348|UN 2348 (DOT)|UNII-705NM8U35V|YDCN 330-607P|126492-54-4|1361383-41-6|1453490-09-9|220713-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024676 https://doi.org/10.22427/NTP-DATA-DTXSID6024676
ARPathway2016 ARPathway2016_836 Butyl acrylate 141-32-2 DTXSID6024676 1.0 R6 AR Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)C=C Butyl acrylate 141-32-2|Butyl acrylate|2-Propenoic acid butyl ester|2-Propenoic acid, butyl ester|2-Propenoic acid, n-butyl ester|4-02-00-01463|acrilato de butilo|Acrylate de butyle|ACRYLATE, BUTYL|Acrylic acid butyl ester|Acrylic acid n-butyl ester|ACRYLIC ACID, BUTYL ESTER|ACRYLSAEURE-BUTYLESTER|BA 100PPM|BRN 1749970|Butan-1-yl acrylate|Butyl 2-propenoate|Butyl propenoate|Butylacrylat|Butylester kyseliny akrylove|DL 325|EINECS 205-480-7|EM 24|n-Butyl acrylate|n-Butyl propenoate|NSC 5163|PROP-2-ENOATE, BUTYL|UN 2348|UN 2348 (DOT)|UNII-705NM8U35V|YDCN 330-607P|126492-54-4|1361383-41-6|1453490-09-9|220713-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024676 https://doi.org/10.22427/NTP-DATA-DTXSID6024676
ARPathway2016 ARPathway2016_836 Butyl acrylate 141-32-2 DTXSID6024676 1.0 R6 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)C=C Butyl acrylate 141-32-2|Butyl acrylate|2-Propenoic acid butyl ester|2-Propenoic acid, butyl ester|2-Propenoic acid, n-butyl ester|4-02-00-01463|acrilato de butilo|Acrylate de butyle|ACRYLATE, BUTYL|Acrylic acid butyl ester|Acrylic acid n-butyl ester|ACRYLIC ACID, BUTYL ESTER|ACRYLSAEURE-BUTYLESTER|BA 100PPM|BRN 1749970|Butan-1-yl acrylate|Butyl 2-propenoate|Butyl propenoate|Butylacrylat|Butylester kyseliny akrylove|DL 325|EINECS 205-480-7|EM 24|n-Butyl acrylate|n-Butyl propenoate|NSC 5163|PROP-2-ENOATE, BUTYL|UN 2348|UN 2348 (DOT)|UNII-705NM8U35V|YDCN 330-607P|126492-54-4|1361383-41-6|1453490-09-9|220713-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024676 https://doi.org/10.22427/NTP-DATA-DTXSID6024676
ERPathway2016 ERPathway2016_1046 Butyl acrylate 141-32-2 DTXSID6024676 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)C=C Butyl acrylate 141-32-2|Butyl acrylate|2-Propenoic acid butyl ester|2-Propenoic acid, butyl ester|2-Propenoic acid, n-butyl ester|4-02-00-01463|acrilato de butilo|Acrylate de butyle|ACRYLATE, BUTYL|Acrylic acid butyl ester|Acrylic acid n-butyl ester|ACRYLIC ACID, BUTYL ESTER|ACRYLSAEURE-BUTYLESTER|BA 100PPM|BRN 1749970|Butan-1-yl acrylate|Butyl 2-propenoate|Butyl propenoate|Butylacrylat|Butylester kyseliny akrylove|DL 325|EINECS 205-480-7|EM 24|n-Butyl acrylate|n-Butyl propenoate|NSC 5163|PROP-2-ENOATE, BUTYL|UN 2348|UN 2348 (DOT)|UNII-705NM8U35V|YDCN 330-607P|126492-54-4|1361383-41-6|1453490-09-9|220713-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024676 https://doi.org/10.22427/NTP-DATA-DTXSID6024676
ERPathway2016 ERPathway2016_1046 Butyl acrylate 141-32-2 DTXSID6024676 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)C=C Butyl acrylate 141-32-2|Butyl acrylate|2-Propenoic acid butyl ester|2-Propenoic acid, butyl ester|2-Propenoic acid, n-butyl ester|4-02-00-01463|acrilato de butilo|Acrylate de butyle|ACRYLATE, BUTYL|Acrylic acid butyl ester|Acrylic acid n-butyl ester|ACRYLIC ACID, BUTYL ESTER|ACRYLSAEURE-BUTYLESTER|BA 100PPM|BRN 1749970|Butan-1-yl acrylate|Butyl 2-propenoate|Butyl propenoate|Butylacrylat|Butylester kyseliny akrylove|DL 325|EINECS 205-480-7|EM 24|n-Butyl acrylate|n-Butyl propenoate|NSC 5163|PROP-2-ENOATE, BUTYL|UN 2348|UN 2348 (DOT)|UNII-705NM8U35V|YDCN 330-607P|126492-54-4|1361383-41-6|1453490-09-9|220713-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024676 https://doi.org/10.22427/NTP-DATA-DTXSID6024676
ERPathway2016 ERPathway2016_1046 Butyl acrylate 141-32-2 DTXSID6024676 ER Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)C=C Butyl acrylate 141-32-2|Butyl acrylate|2-Propenoic acid butyl ester|2-Propenoic acid, butyl ester|2-Propenoic acid, n-butyl ester|4-02-00-01463|acrilato de butilo|Acrylate de butyle|ACRYLATE, BUTYL|Acrylic acid butyl ester|Acrylic acid n-butyl ester|ACRYLIC ACID, BUTYL ESTER|ACRYLSAEURE-BUTYLESTER|BA 100PPM|BRN 1749970|Butan-1-yl acrylate|Butyl 2-propenoate|Butyl propenoate|Butylacrylat|Butylester kyseliny akrylove|DL 325|EINECS 205-480-7|EM 24|n-Butyl acrylate|n-Butyl propenoate|NSC 5163|PROP-2-ENOATE, BUTYL|UN 2348|UN 2348 (DOT)|UNII-705NM8U35V|YDCN 330-607P|126492-54-4|1361383-41-6|1453490-09-9|220713-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024676 https://doi.org/10.22427/NTP-DATA-DTXSID6024676
ERPathway2016 ERPathway2016_1046 Butyl acrylate 141-32-2 DTXSID6024676 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)C=C Butyl acrylate 141-32-2|Butyl acrylate|2-Propenoic acid butyl ester|2-Propenoic acid, butyl ester|2-Propenoic acid, n-butyl ester|4-02-00-01463|acrilato de butilo|Acrylate de butyle|ACRYLATE, BUTYL|Acrylic acid butyl ester|Acrylic acid n-butyl ester|ACRYLIC ACID, BUTYL ESTER|ACRYLSAEURE-BUTYLESTER|BA 100PPM|BRN 1749970|Butan-1-yl acrylate|Butyl 2-propenoate|Butyl propenoate|Butylacrylat|Butylester kyseliny akrylove|DL 325|EINECS 205-480-7|EM 24|n-Butyl acrylate|n-Butyl propenoate|NSC 5163|PROP-2-ENOATE, BUTYL|UN 2348|UN 2348 (DOT)|UNII-705NM8U35V|YDCN 330-607P|126492-54-4|1361383-41-6|1453490-09-9|220713-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024676 https://doi.org/10.22427/NTP-DATA-DTXSID6024676
ARPathway2016 ARPathway2016_805 Butyl benzoate 136-60-7 DTXSID8040694 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)C1=CC=CC=C1 Butyl benzoate 136-60-7|Butyl benzoate|4-09-00-00290|Anthrapole AZ|Benzoate de butyle|BENZOATE, BUTYL|benzoato de butilo|BENZOESAEURE-BUTYLESTER|Benzoic acid n-butyl ester|Benzoic acid, butyl ester|BENZOIC ACID, BUTYLESTER|BRN 1867073|Butylbenzoat|BUTYLBENZOATE|Butylester kyseliny benzoove|Chemcryl C 101N|Dai Cari XBN|EINECS 205-252-7|IP Carrier N 20|N-BUTYL BENZOATE|NSC 8474|UNII-1TGZ0D0O8I https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040694
ARPathway2016 ARPathway2016_805 Butyl benzoate 136-60-7 DTXSID8040694 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)C1=CC=CC=C1 Butyl benzoate 136-60-7|Butyl benzoate|4-09-00-00290|Anthrapole AZ|Benzoate de butyle|BENZOATE, BUTYL|benzoato de butilo|BENZOESAEURE-BUTYLESTER|Benzoic acid n-butyl ester|Benzoic acid, butyl ester|BENZOIC ACID, BUTYLESTER|BRN 1867073|Butylbenzoat|BUTYLBENZOATE|Butylester kyseliny benzoove|Chemcryl C 101N|Dai Cari XBN|EINECS 205-252-7|IP Carrier N 20|N-BUTYL BENZOATE|NSC 8474|UNII-1TGZ0D0O8I https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040694
ARPathway2016 ARPathway2016_805 Butyl benzoate 136-60-7 DTXSID8040694 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)C1=CC=CC=C1 Butyl benzoate 136-60-7|Butyl benzoate|4-09-00-00290|Anthrapole AZ|Benzoate de butyle|BENZOATE, BUTYL|benzoato de butilo|BENZOESAEURE-BUTYLESTER|Benzoic acid n-butyl ester|Benzoic acid, butyl ester|BENZOIC ACID, BUTYLESTER|BRN 1867073|Butylbenzoat|BUTYLBENZOATE|Butylester kyseliny benzoove|Chemcryl C 101N|Dai Cari XBN|EINECS 205-252-7|IP Carrier N 20|N-BUTYL BENZOATE|NSC 8474|UNII-1TGZ0D0O8I https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040694
ARPathway2016 ARPathway2016_805 Butyl benzoate 136-60-7 DTXSID8040694 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)C1=CC=CC=C1 Butyl benzoate 136-60-7|Butyl benzoate|4-09-00-00290|Anthrapole AZ|Benzoate de butyle|BENZOATE, BUTYL|benzoato de butilo|BENZOESAEURE-BUTYLESTER|Benzoic acid n-butyl ester|Benzoic acid, butyl ester|BENZOIC ACID, BUTYLESTER|BRN 1867073|Butylbenzoat|BUTYLBENZOATE|Butylester kyseliny benzoove|Chemcryl C 101N|Dai Cari XBN|EINECS 205-252-7|IP Carrier N 20|N-BUTYL BENZOATE|NSC 8474|UNII-1TGZ0D0O8I https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040694
ERPathway2016 ERPathway2016_840 Butyl benzoate 136-60-7 DTXSID8040694 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)C1=CC=CC=C1 Butyl benzoate 136-60-7|Butyl benzoate|4-09-00-00290|Anthrapole AZ|Benzoate de butyle|BENZOATE, BUTYL|benzoato de butilo|BENZOESAEURE-BUTYLESTER|Benzoic acid n-butyl ester|Benzoic acid, butyl ester|BENZOIC ACID, BUTYLESTER|BRN 1867073|Butylbenzoat|BUTYLBENZOATE|Butylester kyseliny benzoove|Chemcryl C 101N|Dai Cari XBN|EINECS 205-252-7|IP Carrier N 20|N-BUTYL BENZOATE|NSC 8474|UNII-1TGZ0D0O8I https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040694
ERPathway2016 ERPathway2016_840 Butyl benzoate 136-60-7 DTXSID8040694 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)C1=CC=CC=C1 Butyl benzoate 136-60-7|Butyl benzoate|4-09-00-00290|Anthrapole AZ|Benzoate de butyle|BENZOATE, BUTYL|benzoato de butilo|BENZOESAEURE-BUTYLESTER|Benzoic acid n-butyl ester|Benzoic acid, butyl ester|BENZOIC ACID, BUTYLESTER|BRN 1867073|Butylbenzoat|BUTYLBENZOATE|Butylester kyseliny benzoove|Chemcryl C 101N|Dai Cari XBN|EINECS 205-252-7|IP Carrier N 20|N-BUTYL BENZOATE|NSC 8474|UNII-1TGZ0D0O8I https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040694
ERPathway2016 ERPathway2016_840 Butyl benzoate 136-60-7 DTXSID8040694 ER Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)C1=CC=CC=C1 Butyl benzoate 136-60-7|Butyl benzoate|4-09-00-00290|Anthrapole AZ|Benzoate de butyle|BENZOATE, BUTYL|benzoato de butilo|BENZOESAEURE-BUTYLESTER|Benzoic acid n-butyl ester|Benzoic acid, butyl ester|BENZOIC ACID, BUTYLESTER|BRN 1867073|Butylbenzoat|BUTYLBENZOATE|Butylester kyseliny benzoove|Chemcryl C 101N|Dai Cari XBN|EINECS 205-252-7|IP Carrier N 20|N-BUTYL BENZOATE|NSC 8474|UNII-1TGZ0D0O8I https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040694
ERPathway2016 ERPathway2016_840 Butyl benzoate 136-60-7 DTXSID8040694 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)C1=CC=CC=C1 Butyl benzoate 136-60-7|Butyl benzoate|4-09-00-00290|Anthrapole AZ|Benzoate de butyle|BENZOATE, BUTYL|benzoato de butilo|BENZOESAEURE-BUTYLESTER|Benzoic acid n-butyl ester|Benzoic acid, butyl ester|BENZOIC ACID, BUTYLESTER|BRN 1867073|Butylbenzoat|BUTYLBENZOATE|Butylester kyseliny benzoove|Chemcryl C 101N|Dai Cari XBN|EINECS 205-252-7|IP Carrier N 20|N-BUTYL BENZOATE|NSC 8474|UNII-1TGZ0D0O8I https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040694
ARPathway2016 ARPathway2016_1033 Butyl glycidyl ether 2426-08-6 DTXSID9024691 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOCC1CO1 Butyl glycidyl ether 2426-08-6|Butyl glycidyl ether|(.+-.)-Butyl glycidyl ether|(Butoxymethyl)oxirane|1-Butoxy-2,3-epoxypropane|1-Butyl glycidyl ether|2-(Butoxymethyl)oxirane|2,3-Epoxypropyl butyl ether|3-Butoxy-1,2-epoxypropane|Ageflex BGE|BRN 0103668|butil 2,3-epoxipropil eter|Butyl 2,3-epoxy propyl ether|butyl 2,3-epoxypropyl ether|Butyl-2,3-epoxypropylether|BUTYL-GLYCIDYL-AETHER|Butylglycidylether|EINECS 219-376-4|Epi-Rez 501|Epodil 741HP|Ether, butyl 2,3-epoxypropyl|Ether, butyl glycidyl|Glycidyl butyl ether|Glycidyl n-butyl ether|n-Butyl glycidyl ether|Normal Butyl Glycidyl Ether|NSC 83413|Oxirane, (butoxymethyl)-|Oxirane, 2-(butoxymethyl)-|Oxyde de butyle et de 2,3-epoxypropyle|Propane, 1-butoxy-2,3-epoxy-|Sipomer BGE|144376-83-0|85858-60-2|921213-37-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024691 https://doi.org/10.22427/NTP-DATA-DTXSID9024691
ARPathway2016 ARPathway2016_1033 Butyl glycidyl ether 2426-08-6 DTXSID9024691 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOCC1CO1 Butyl glycidyl ether 2426-08-6|Butyl glycidyl ether|(.+-.)-Butyl glycidyl ether|(Butoxymethyl)oxirane|1-Butoxy-2,3-epoxypropane|1-Butyl glycidyl ether|2-(Butoxymethyl)oxirane|2,3-Epoxypropyl butyl ether|3-Butoxy-1,2-epoxypropane|Ageflex BGE|BRN 0103668|butil 2,3-epoxipropil eter|Butyl 2,3-epoxy propyl ether|butyl 2,3-epoxypropyl ether|Butyl-2,3-epoxypropylether|BUTYL-GLYCIDYL-AETHER|Butylglycidylether|EINECS 219-376-4|Epi-Rez 501|Epodil 741HP|Ether, butyl 2,3-epoxypropyl|Ether, butyl glycidyl|Glycidyl butyl ether|Glycidyl n-butyl ether|n-Butyl glycidyl ether|Normal Butyl Glycidyl Ether|NSC 83413|Oxirane, (butoxymethyl)-|Oxirane, 2-(butoxymethyl)-|Oxyde de butyle et de 2,3-epoxypropyle|Propane, 1-butoxy-2,3-epoxy-|Sipomer BGE|144376-83-0|85858-60-2|921213-37-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024691 https://doi.org/10.22427/NTP-DATA-DTXSID9024691
ARPathway2016 ARPathway2016_1033 Butyl glycidyl ether 2426-08-6 DTXSID9024691 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOCC1CO1 Butyl glycidyl ether 2426-08-6|Butyl glycidyl ether|(.+-.)-Butyl glycidyl ether|(Butoxymethyl)oxirane|1-Butoxy-2,3-epoxypropane|1-Butyl glycidyl ether|2-(Butoxymethyl)oxirane|2,3-Epoxypropyl butyl ether|3-Butoxy-1,2-epoxypropane|Ageflex BGE|BRN 0103668|butil 2,3-epoxipropil eter|Butyl 2,3-epoxy propyl ether|butyl 2,3-epoxypropyl ether|Butyl-2,3-epoxypropylether|BUTYL-GLYCIDYL-AETHER|Butylglycidylether|EINECS 219-376-4|Epi-Rez 501|Epodil 741HP|Ether, butyl 2,3-epoxypropyl|Ether, butyl glycidyl|Glycidyl butyl ether|Glycidyl n-butyl ether|n-Butyl glycidyl ether|Normal Butyl Glycidyl Ether|NSC 83413|Oxirane, (butoxymethyl)-|Oxirane, 2-(butoxymethyl)-|Oxyde de butyle et de 2,3-epoxypropyle|Propane, 1-butoxy-2,3-epoxy-|Sipomer BGE|144376-83-0|85858-60-2|921213-37-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024691 https://doi.org/10.22427/NTP-DATA-DTXSID9024691
ARPathway2016 ARPathway2016_1033 Butyl glycidyl ether 2426-08-6 DTXSID9024691 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOCC1CO1 Butyl glycidyl ether 2426-08-6|Butyl glycidyl ether|(.+-.)-Butyl glycidyl ether|(Butoxymethyl)oxirane|1-Butoxy-2,3-epoxypropane|1-Butyl glycidyl ether|2-(Butoxymethyl)oxirane|2,3-Epoxypropyl butyl ether|3-Butoxy-1,2-epoxypropane|Ageflex BGE|BRN 0103668|butil 2,3-epoxipropil eter|Butyl 2,3-epoxy propyl ether|butyl 2,3-epoxypropyl ether|Butyl-2,3-epoxypropylether|BUTYL-GLYCIDYL-AETHER|Butylglycidylether|EINECS 219-376-4|Epi-Rez 501|Epodil 741HP|Ether, butyl 2,3-epoxypropyl|Ether, butyl glycidyl|Glycidyl butyl ether|Glycidyl n-butyl ether|n-Butyl glycidyl ether|Normal Butyl Glycidyl Ether|NSC 83413|Oxirane, (butoxymethyl)-|Oxirane, 2-(butoxymethyl)-|Oxyde de butyle et de 2,3-epoxypropyle|Propane, 1-butoxy-2,3-epoxy-|Sipomer BGE|144376-83-0|85858-60-2|921213-37-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024691 https://doi.org/10.22427/NTP-DATA-DTXSID9024691
ERPathway2016 ERPathway2016_1393 Butyl glycidyl ether 2426-08-6 DTXSID9024691 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOCC1CO1 Butyl glycidyl ether 2426-08-6|Butyl glycidyl ether|(.+-.)-Butyl glycidyl ether|(Butoxymethyl)oxirane|1-Butoxy-2,3-epoxypropane|1-Butyl glycidyl ether|2-(Butoxymethyl)oxirane|2,3-Epoxypropyl butyl ether|3-Butoxy-1,2-epoxypropane|Ageflex BGE|BRN 0103668|butil 2,3-epoxipropil eter|Butyl 2,3-epoxy propyl ether|butyl 2,3-epoxypropyl ether|Butyl-2,3-epoxypropylether|BUTYL-GLYCIDYL-AETHER|Butylglycidylether|EINECS 219-376-4|Epi-Rez 501|Epodil 741HP|Ether, butyl 2,3-epoxypropyl|Ether, butyl glycidyl|Glycidyl butyl ether|Glycidyl n-butyl ether|n-Butyl glycidyl ether|Normal Butyl Glycidyl Ether|NSC 83413|Oxirane, (butoxymethyl)-|Oxirane, 2-(butoxymethyl)-|Oxyde de butyle et de 2,3-epoxypropyle|Propane, 1-butoxy-2,3-epoxy-|Sipomer BGE|144376-83-0|85858-60-2|921213-37-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024691 https://doi.org/10.22427/NTP-DATA-DTXSID9024691
ERPathway2016 ERPathway2016_1393 Butyl glycidyl ether 2426-08-6 DTXSID9024691 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOCC1CO1 Butyl glycidyl ether 2426-08-6|Butyl glycidyl ether|(.+-.)-Butyl glycidyl ether|(Butoxymethyl)oxirane|1-Butoxy-2,3-epoxypropane|1-Butyl glycidyl ether|2-(Butoxymethyl)oxirane|2,3-Epoxypropyl butyl ether|3-Butoxy-1,2-epoxypropane|Ageflex BGE|BRN 0103668|butil 2,3-epoxipropil eter|Butyl 2,3-epoxy propyl ether|butyl 2,3-epoxypropyl ether|Butyl-2,3-epoxypropylether|BUTYL-GLYCIDYL-AETHER|Butylglycidylether|EINECS 219-376-4|Epi-Rez 501|Epodil 741HP|Ether, butyl 2,3-epoxypropyl|Ether, butyl glycidyl|Glycidyl butyl ether|Glycidyl n-butyl ether|n-Butyl glycidyl ether|Normal Butyl Glycidyl Ether|NSC 83413|Oxirane, (butoxymethyl)-|Oxirane, 2-(butoxymethyl)-|Oxyde de butyle et de 2,3-epoxypropyle|Propane, 1-butoxy-2,3-epoxy-|Sipomer BGE|144376-83-0|85858-60-2|921213-37-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024691 https://doi.org/10.22427/NTP-DATA-DTXSID9024691
ERPathway2016 ERPathway2016_1393 Butyl glycidyl ether 2426-08-6 DTXSID9024691 ER Pathway Model, Agonist Call Inactive Unitless CCCCOCC1CO1 Butyl glycidyl ether 2426-08-6|Butyl glycidyl ether|(.+-.)-Butyl glycidyl ether|(Butoxymethyl)oxirane|1-Butoxy-2,3-epoxypropane|1-Butyl glycidyl ether|2-(Butoxymethyl)oxirane|2,3-Epoxypropyl butyl ether|3-Butoxy-1,2-epoxypropane|Ageflex BGE|BRN 0103668|butil 2,3-epoxipropil eter|Butyl 2,3-epoxy propyl ether|butyl 2,3-epoxypropyl ether|Butyl-2,3-epoxypropylether|BUTYL-GLYCIDYL-AETHER|Butylglycidylether|EINECS 219-376-4|Epi-Rez 501|Epodil 741HP|Ether, butyl 2,3-epoxypropyl|Ether, butyl glycidyl|Glycidyl butyl ether|Glycidyl n-butyl ether|n-Butyl glycidyl ether|Normal Butyl Glycidyl Ether|NSC 83413|Oxirane, (butoxymethyl)-|Oxirane, 2-(butoxymethyl)-|Oxyde de butyle et de 2,3-epoxypropyle|Propane, 1-butoxy-2,3-epoxy-|Sipomer BGE|144376-83-0|85858-60-2|921213-37-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024691 https://doi.org/10.22427/NTP-DATA-DTXSID9024691
ERPathway2016 ERPathway2016_1393 Butyl glycidyl ether 2426-08-6 DTXSID9024691 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOCC1CO1 Butyl glycidyl ether 2426-08-6|Butyl glycidyl ether|(.+-.)-Butyl glycidyl ether|(Butoxymethyl)oxirane|1-Butoxy-2,3-epoxypropane|1-Butyl glycidyl ether|2-(Butoxymethyl)oxirane|2,3-Epoxypropyl butyl ether|3-Butoxy-1,2-epoxypropane|Ageflex BGE|BRN 0103668|butil 2,3-epoxipropil eter|Butyl 2,3-epoxy propyl ether|butyl 2,3-epoxypropyl ether|Butyl-2,3-epoxypropylether|BUTYL-GLYCIDYL-AETHER|Butylglycidylether|EINECS 219-376-4|Epi-Rez 501|Epodil 741HP|Ether, butyl 2,3-epoxypropyl|Ether, butyl glycidyl|Glycidyl butyl ether|Glycidyl n-butyl ether|n-Butyl glycidyl ether|Normal Butyl Glycidyl Ether|NSC 83413|Oxirane, (butoxymethyl)-|Oxirane, 2-(butoxymethyl)-|Oxyde de butyle et de 2,3-epoxypropyle|Propane, 1-butoxy-2,3-epoxy-|Sipomer BGE|144376-83-0|85858-60-2|921213-37-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024691 https://doi.org/10.22427/NTP-DATA-DTXSID9024691
ARPathway2016 ARPathway2016_812 Butyl lactate 138-22-7 DTXSID7042196 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)C(C)O Butyl lactate 138-22-7|Butyl lactate|(+/-)-Butyl lactate|2-Hydroxypropanoic acid butyl ester|4-03-00-00649|BRN 1721597|Butyl 2-hydroxypropanoate|Butyl alpha-hydroxypropionate|Butylester kyseliny mlecne|EINECS 205-316-4|FEMA No. 2205|NSC 6533|UNII-0UI63W814U|126872-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042196
ARPathway2016 ARPathway2016_812 Butyl lactate 138-22-7 DTXSID7042196 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)C(C)O Butyl lactate 138-22-7|Butyl lactate|(+/-)-Butyl lactate|2-Hydroxypropanoic acid butyl ester|4-03-00-00649|BRN 1721597|Butyl 2-hydroxypropanoate|Butyl alpha-hydroxypropionate|Butylester kyseliny mlecne|EINECS 205-316-4|FEMA No. 2205|NSC 6533|UNII-0UI63W814U|126872-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042196
ARPathway2016 ARPathway2016_812 Butyl lactate 138-22-7 DTXSID7042196 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)C(C)O Butyl lactate 138-22-7|Butyl lactate|(+/-)-Butyl lactate|2-Hydroxypropanoic acid butyl ester|4-03-00-00649|BRN 1721597|Butyl 2-hydroxypropanoate|Butyl alpha-hydroxypropionate|Butylester kyseliny mlecne|EINECS 205-316-4|FEMA No. 2205|NSC 6533|UNII-0UI63W814U|126872-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042196
ARPathway2016 ARPathway2016_812 Butyl lactate 138-22-7 DTXSID7042196 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)C(C)O Butyl lactate 138-22-7|Butyl lactate|(+/-)-Butyl lactate|2-Hydroxypropanoic acid butyl ester|4-03-00-00649|BRN 1721597|Butyl 2-hydroxypropanoate|Butyl alpha-hydroxypropionate|Butylester kyseliny mlecne|EINECS 205-316-4|FEMA No. 2205|NSC 6533|UNII-0UI63W814U|126872-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042196
ERPathway2016 ERPathway2016_708 Butyl lactate 138-22-7 DTXSID7042196 A10 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)C(C)O Butyl lactate 138-22-7|Butyl lactate|(+/-)-Butyl lactate|2-Hydroxypropanoic acid butyl ester|4-03-00-00649|BRN 1721597|Butyl 2-hydroxypropanoate|Butyl alpha-hydroxypropionate|Butylester kyseliny mlecne|EINECS 205-316-4|FEMA No. 2205|NSC 6533|UNII-0UI63W814U|126872-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042196
ERPathway2016 ERPathway2016_708 Butyl lactate 138-22-7 DTXSID7042196 A10 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)C(C)O Butyl lactate 138-22-7|Butyl lactate|(+/-)-Butyl lactate|2-Hydroxypropanoic acid butyl ester|4-03-00-00649|BRN 1721597|Butyl 2-hydroxypropanoate|Butyl alpha-hydroxypropionate|Butylester kyseliny mlecne|EINECS 205-316-4|FEMA No. 2205|NSC 6533|UNII-0UI63W814U|126872-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042196
ERPathway2016 ERPathway2016_708 Butyl lactate 138-22-7 DTXSID7042196 A10 ER Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)C(C)O Butyl lactate 138-22-7|Butyl lactate|(+/-)-Butyl lactate|2-Hydroxypropanoic acid butyl ester|4-03-00-00649|BRN 1721597|Butyl 2-hydroxypropanoate|Butyl alpha-hydroxypropionate|Butylester kyseliny mlecne|EINECS 205-316-4|FEMA No. 2205|NSC 6533|UNII-0UI63W814U|126872-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042196
ERPathway2016 ERPathway2016_708 Butyl lactate 138-22-7 DTXSID7042196 A10 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)C(C)O Butyl lactate 138-22-7|Butyl lactate|(+/-)-Butyl lactate|2-Hydroxypropanoic acid butyl ester|4-03-00-00649|BRN 1721597|Butyl 2-hydroxypropanoate|Butyl alpha-hydroxypropionate|Butylester kyseliny mlecne|EINECS 205-316-4|FEMA No. 2205|NSC 6533|UNII-0UI63W814U|126872-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042196
ARPathway2016 ARPathway2016_974 Butylate 2008-41-5 DTXSID7023936 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCSC(=O)N(CC(C)C)CC(C)C Butylate 2008-41-5|Butylate|4-04-00-00651|Aneldazine|Bis(2-methylpropyl)carbamothioic acid S-ethyl ester|Bis(2-methylpropyl)carbamothioic acid, S-ethyl ester|BRN 1770420|Butilate|Carbamothioic acid, N,N-bis(2-methylpropyl)-, S-ethyl ester|Caswell No. 434A|Diisobutylthiocarbamic acid S-ethyl ester|Diisocarb|EINECS 217-916-3|EPA Pesticide Chemical Code 041405|Ethyl N,N-diisobutylthiocarbamate|Ethyl N,N-diisobutylthiolcarbamate|Ethyl-N,N-diisobutyl thiolcarbamate|Ethyl-N,N-diisobutylthiocarbamate|Genate plus|S-Ethyl bis(2-methylpropyl) carbamothioate|S-Ethyl bis(2-methylpropyl)carbamothioate|S-Ethyl di-isobutylthiocarbamate|S-Ethyl N,N-diisobutyl thiocarbamate|S-Ethyl N,N-diisobutyl thiolcarbamate|S-Ethyl N,N-diisobutylthiocarbamate|S-Ethyldiisobutyl thiocarbamate|S-Ethyldiisobutylthiocarbamate|Stauffer R-1910|Sutan|Sutar' 85 E|Tomahawk|UNII-3U78PG73G7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023936
ARPathway2016 ARPathway2016_974 Butylate 2008-41-5 DTXSID7023936 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCSC(=O)N(CC(C)C)CC(C)C Butylate 2008-41-5|Butylate|4-04-00-00651|Aneldazine|Bis(2-methylpropyl)carbamothioic acid S-ethyl ester|Bis(2-methylpropyl)carbamothioic acid, S-ethyl ester|BRN 1770420|Butilate|Carbamothioic acid, N,N-bis(2-methylpropyl)-, S-ethyl ester|Caswell No. 434A|Diisobutylthiocarbamic acid S-ethyl ester|Diisocarb|EINECS 217-916-3|EPA Pesticide Chemical Code 041405|Ethyl N,N-diisobutylthiocarbamate|Ethyl N,N-diisobutylthiolcarbamate|Ethyl-N,N-diisobutyl thiolcarbamate|Ethyl-N,N-diisobutylthiocarbamate|Genate plus|S-Ethyl bis(2-methylpropyl) carbamothioate|S-Ethyl bis(2-methylpropyl)carbamothioate|S-Ethyl di-isobutylthiocarbamate|S-Ethyl N,N-diisobutyl thiocarbamate|S-Ethyl N,N-diisobutyl thiolcarbamate|S-Ethyl N,N-diisobutylthiocarbamate|S-Ethyldiisobutyl thiocarbamate|S-Ethyldiisobutylthiocarbamate|Stauffer R-1910|Sutan|Sutar' 85 E|Tomahawk|UNII-3U78PG73G7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023936
ARPathway2016 ARPathway2016_974 Butylate 2008-41-5 DTXSID7023936 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCSC(=O)N(CC(C)C)CC(C)C Butylate 2008-41-5|Butylate|4-04-00-00651|Aneldazine|Bis(2-methylpropyl)carbamothioic acid S-ethyl ester|Bis(2-methylpropyl)carbamothioic acid, S-ethyl ester|BRN 1770420|Butilate|Carbamothioic acid, N,N-bis(2-methylpropyl)-, S-ethyl ester|Caswell No. 434A|Diisobutylthiocarbamic acid S-ethyl ester|Diisocarb|EINECS 217-916-3|EPA Pesticide Chemical Code 041405|Ethyl N,N-diisobutylthiocarbamate|Ethyl N,N-diisobutylthiolcarbamate|Ethyl-N,N-diisobutyl thiolcarbamate|Ethyl-N,N-diisobutylthiocarbamate|Genate plus|S-Ethyl bis(2-methylpropyl) carbamothioate|S-Ethyl bis(2-methylpropyl)carbamothioate|S-Ethyl di-isobutylthiocarbamate|S-Ethyl N,N-diisobutyl thiocarbamate|S-Ethyl N,N-diisobutyl thiolcarbamate|S-Ethyl N,N-diisobutylthiocarbamate|S-Ethyldiisobutyl thiocarbamate|S-Ethyldiisobutylthiocarbamate|Stauffer R-1910|Sutan|Sutar' 85 E|Tomahawk|UNII-3U78PG73G7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023936
ARPathway2016 ARPathway2016_974 Butylate 2008-41-5 DTXSID7023936 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCSC(=O)N(CC(C)C)CC(C)C Butylate 2008-41-5|Butylate|4-04-00-00651|Aneldazine|Bis(2-methylpropyl)carbamothioic acid S-ethyl ester|Bis(2-methylpropyl)carbamothioic acid, S-ethyl ester|BRN 1770420|Butilate|Carbamothioic acid, N,N-bis(2-methylpropyl)-, S-ethyl ester|Caswell No. 434A|Diisobutylthiocarbamic acid S-ethyl ester|Diisocarb|EINECS 217-916-3|EPA Pesticide Chemical Code 041405|Ethyl N,N-diisobutylthiocarbamate|Ethyl N,N-diisobutylthiolcarbamate|Ethyl-N,N-diisobutyl thiolcarbamate|Ethyl-N,N-diisobutylthiocarbamate|Genate plus|S-Ethyl bis(2-methylpropyl) carbamothioate|S-Ethyl bis(2-methylpropyl)carbamothioate|S-Ethyl di-isobutylthiocarbamate|S-Ethyl N,N-diisobutyl thiocarbamate|S-Ethyl N,N-diisobutyl thiolcarbamate|S-Ethyl N,N-diisobutylthiocarbamate|S-Ethyldiisobutyl thiocarbamate|S-Ethyldiisobutylthiocarbamate|Stauffer R-1910|Sutan|Sutar' 85 E|Tomahawk|UNII-3U78PG73G7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023936
ERPathway2016 ERPathway2016_765 Butylate 2008-41-5 DTXSID7023936 ER Pathway Model, Agonist Model Score 0 Unitless CCSC(=O)N(CC(C)C)CC(C)C Butylate 2008-41-5|Butylate|4-04-00-00651|Aneldazine|Bis(2-methylpropyl)carbamothioic acid S-ethyl ester|Bis(2-methylpropyl)carbamothioic acid, S-ethyl ester|BRN 1770420|Butilate|Carbamothioic acid, N,N-bis(2-methylpropyl)-, S-ethyl ester|Caswell No. 434A|Diisobutylthiocarbamic acid S-ethyl ester|Diisocarb|EINECS 217-916-3|EPA Pesticide Chemical Code 041405|Ethyl N,N-diisobutylthiocarbamate|Ethyl N,N-diisobutylthiolcarbamate|Ethyl-N,N-diisobutyl thiolcarbamate|Ethyl-N,N-diisobutylthiocarbamate|Genate plus|S-Ethyl bis(2-methylpropyl) carbamothioate|S-Ethyl bis(2-methylpropyl)carbamothioate|S-Ethyl di-isobutylthiocarbamate|S-Ethyl N,N-diisobutyl thiocarbamate|S-Ethyl N,N-diisobutyl thiolcarbamate|S-Ethyl N,N-diisobutylthiocarbamate|S-Ethyldiisobutyl thiocarbamate|S-Ethyldiisobutylthiocarbamate|Stauffer R-1910|Sutan|Sutar' 85 E|Tomahawk|UNII-3U78PG73G7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023936
ERPathway2016 ERPathway2016_765 Butylate 2008-41-5 DTXSID7023936 ER Pathway Model, Antagonist Model Score 0 Unitless CCSC(=O)N(CC(C)C)CC(C)C Butylate 2008-41-5|Butylate|4-04-00-00651|Aneldazine|Bis(2-methylpropyl)carbamothioic acid S-ethyl ester|Bis(2-methylpropyl)carbamothioic acid, S-ethyl ester|BRN 1770420|Butilate|Carbamothioic acid, N,N-bis(2-methylpropyl)-, S-ethyl ester|Caswell No. 434A|Diisobutylthiocarbamic acid S-ethyl ester|Diisocarb|EINECS 217-916-3|EPA Pesticide Chemical Code 041405|Ethyl N,N-diisobutylthiocarbamate|Ethyl N,N-diisobutylthiolcarbamate|Ethyl-N,N-diisobutyl thiolcarbamate|Ethyl-N,N-diisobutylthiocarbamate|Genate plus|S-Ethyl bis(2-methylpropyl) carbamothioate|S-Ethyl bis(2-methylpropyl)carbamothioate|S-Ethyl di-isobutylthiocarbamate|S-Ethyl N,N-diisobutyl thiocarbamate|S-Ethyl N,N-diisobutyl thiolcarbamate|S-Ethyl N,N-diisobutylthiocarbamate|S-Ethyldiisobutyl thiocarbamate|S-Ethyldiisobutylthiocarbamate|Stauffer R-1910|Sutan|Sutar' 85 E|Tomahawk|UNII-3U78PG73G7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023936
ERPathway2016 ERPathway2016_765 Butylate 2008-41-5 DTXSID7023936 ER Pathway Model, Agonist Call Inactive Unitless CCSC(=O)N(CC(C)C)CC(C)C Butylate 2008-41-5|Butylate|4-04-00-00651|Aneldazine|Bis(2-methylpropyl)carbamothioic acid S-ethyl ester|Bis(2-methylpropyl)carbamothioic acid, S-ethyl ester|BRN 1770420|Butilate|Carbamothioic acid, N,N-bis(2-methylpropyl)-, S-ethyl ester|Caswell No. 434A|Diisobutylthiocarbamic acid S-ethyl ester|Diisocarb|EINECS 217-916-3|EPA Pesticide Chemical Code 041405|Ethyl N,N-diisobutylthiocarbamate|Ethyl N,N-diisobutylthiolcarbamate|Ethyl-N,N-diisobutyl thiolcarbamate|Ethyl-N,N-diisobutylthiocarbamate|Genate plus|S-Ethyl bis(2-methylpropyl) carbamothioate|S-Ethyl bis(2-methylpropyl)carbamothioate|S-Ethyl di-isobutylthiocarbamate|S-Ethyl N,N-diisobutyl thiocarbamate|S-Ethyl N,N-diisobutyl thiolcarbamate|S-Ethyl N,N-diisobutylthiocarbamate|S-Ethyldiisobutyl thiocarbamate|S-Ethyldiisobutylthiocarbamate|Stauffer R-1910|Sutan|Sutar' 85 E|Tomahawk|UNII-3U78PG73G7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023936
ERPathway2016 ERPathway2016_765 Butylate 2008-41-5 DTXSID7023936 ER Pathway Model, Antagonist Call Inactive Unitless CCSC(=O)N(CC(C)C)CC(C)C Butylate 2008-41-5|Butylate|4-04-00-00651|Aneldazine|Bis(2-methylpropyl)carbamothioic acid S-ethyl ester|Bis(2-methylpropyl)carbamothioic acid, S-ethyl ester|BRN 1770420|Butilate|Carbamothioic acid, N,N-bis(2-methylpropyl)-, S-ethyl ester|Caswell No. 434A|Diisobutylthiocarbamic acid S-ethyl ester|Diisocarb|EINECS 217-916-3|EPA Pesticide Chemical Code 041405|Ethyl N,N-diisobutylthiocarbamate|Ethyl N,N-diisobutylthiolcarbamate|Ethyl-N,N-diisobutyl thiolcarbamate|Ethyl-N,N-diisobutylthiocarbamate|Genate plus|S-Ethyl bis(2-methylpropyl) carbamothioate|S-Ethyl bis(2-methylpropyl)carbamothioate|S-Ethyl di-isobutylthiocarbamate|S-Ethyl N,N-diisobutyl thiocarbamate|S-Ethyl N,N-diisobutyl thiolcarbamate|S-Ethyl N,N-diisobutylthiocarbamate|S-Ethyldiisobutyl thiocarbamate|S-Ethyldiisobutylthiocarbamate|Stauffer R-1910|Sutan|Sutar' 85 E|Tomahawk|UNII-3U78PG73G7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023936
ARPathway2016 ARPathway2016_761 Butylated hydroxytoluene 128-37-0 DTXSID2020216 1.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C Butylated hydroxytoluene 128-37-0|Butylated hydroxytoluene|"Ionol" CP-antioxidant|1-Hydroxy-4-methyl-2,6-di-tert-butylbenzene|2,6-bis(1,1-Dimethylethyl)-4-methyl-phenol|2,6-Bis(1,1-dimethylethyl)-4-methylphenol|2,6-Bis(1,1-dimethylethyl)-4-methylphenol, 9CI|2,6-Bis(tert-butyl)-4-methylphenol|2,6-Di-t-butyl-4-methylphenol|2,6-di-terc-butil-p-cresol|2,6-Di-terc.butyl-p-kresol|2,6-DI-TERT BUTYL-4-METHYLPHENOL|2,6-Di-tert-butyl-1-hydroxy-4-methylbenzene|2,6-Di-tert-butyl-4-cresol|2,6-Di-tert-butyl-4-hydroxytoluene|2,6-DI-TERT-BUTYL-4-METHYL PHENOL|2,6-Di-tert-butyl-4-methyl-1-hydroxybenzene|2,6-Di-tert-butyl-4-methylhydroxybenzene|2,6-Di-tert-butyl-4-methylphenol|2,6-DI-TERT-BUTYL-4-METHYLPHENOL(3,5-DI-TERT-BUTYL-4-HYDROXYTOLUENE)(2,6-DI-TERT-BUTYL-P-CRESOL)|2,6-Di-tert-butyl-4-methyphenol|2,6-Di-tert-butyl-p-cresol|2,6-Di-tert-butyl-p-cresol, 8CI|2,6-Di-tert-butyl-p-cresole|2,6-Di-tert-butyl-p-kresol|2,6-Di-tert-butyl-p-methylphenol|2,6-Di-tert-butylcresol|2,6-Di-tert-butylmethylphenol|2,6-DI-TERT.-BUTYL-P-KRESOL|2,6-Di(tert-butyl)hydroxytoluene|2,6-tert-Butyl-4-methylp|102962-45-8|1394965-02-6|1456709-94-6|1847425-90-4|2055662-96-7|259752-53-9|290348-23-1|338986-13-3|36631-28-4|42615-30-5|50356-19-9|50641-99-1|52683-46-2|53571-70-3|58500-82-6|83047-16-9|97123-41-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020216 https://doi.org/10.22427/NTP-DATA-DTXSID2020216
ARPathway2016 ARPathway2016_761 Butylated hydroxytoluene 128-37-0 DTXSID2020216 1.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C Butylated hydroxytoluene 128-37-0|Butylated hydroxytoluene|"Ionol" CP-antioxidant|1-Hydroxy-4-methyl-2,6-di-tert-butylbenzene|2,6-bis(1,1-Dimethylethyl)-4-methyl-phenol|2,6-Bis(1,1-dimethylethyl)-4-methylphenol|2,6-Bis(1,1-dimethylethyl)-4-methylphenol, 9CI|2,6-Bis(tert-butyl)-4-methylphenol|2,6-Di-t-butyl-4-methylphenol|2,6-di-terc-butil-p-cresol|2,6-Di-terc.butyl-p-kresol|2,6-DI-TERT BUTYL-4-METHYLPHENOL|2,6-Di-tert-butyl-1-hydroxy-4-methylbenzene|2,6-Di-tert-butyl-4-cresol|2,6-Di-tert-butyl-4-hydroxytoluene|2,6-DI-TERT-BUTYL-4-METHYL PHENOL|2,6-Di-tert-butyl-4-methyl-1-hydroxybenzene|2,6-Di-tert-butyl-4-methylhydroxybenzene|2,6-Di-tert-butyl-4-methylphenol|2,6-DI-TERT-BUTYL-4-METHYLPHENOL(3,5-DI-TERT-BUTYL-4-HYDROXYTOLUENE)(2,6-DI-TERT-BUTYL-P-CRESOL)|2,6-Di-tert-butyl-4-methyphenol|2,6-Di-tert-butyl-p-cresol|2,6-Di-tert-butyl-p-cresol, 8CI|2,6-Di-tert-butyl-p-cresole|2,6-Di-tert-butyl-p-kresol|2,6-Di-tert-butyl-p-methylphenol|2,6-Di-tert-butylcresol|2,6-Di-tert-butylmethylphenol|2,6-DI-TERT.-BUTYL-P-KRESOL|2,6-Di(tert-butyl)hydroxytoluene|2,6-tert-Butyl-4-methylp|102962-45-8|1394965-02-6|1456709-94-6|1847425-90-4|2055662-96-7|259752-53-9|290348-23-1|338986-13-3|36631-28-4|42615-30-5|50356-19-9|50641-99-1|52683-46-2|53571-70-3|58500-82-6|83047-16-9|97123-41-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020216 https://doi.org/10.22427/NTP-DATA-DTXSID2020216
ARPathway2016 ARPathway2016_761 Butylated hydroxytoluene 128-37-0 DTXSID2020216 1.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C Butylated hydroxytoluene 128-37-0|Butylated hydroxytoluene|"Ionol" CP-antioxidant|1-Hydroxy-4-methyl-2,6-di-tert-butylbenzene|2,6-bis(1,1-Dimethylethyl)-4-methyl-phenol|2,6-Bis(1,1-dimethylethyl)-4-methylphenol|2,6-Bis(1,1-dimethylethyl)-4-methylphenol, 9CI|2,6-Bis(tert-butyl)-4-methylphenol|2,6-Di-t-butyl-4-methylphenol|2,6-di-terc-butil-p-cresol|2,6-Di-terc.butyl-p-kresol|2,6-DI-TERT BUTYL-4-METHYLPHENOL|2,6-Di-tert-butyl-1-hydroxy-4-methylbenzene|2,6-Di-tert-butyl-4-cresol|2,6-Di-tert-butyl-4-hydroxytoluene|2,6-DI-TERT-BUTYL-4-METHYL PHENOL|2,6-Di-tert-butyl-4-methyl-1-hydroxybenzene|2,6-Di-tert-butyl-4-methylhydroxybenzene|2,6-Di-tert-butyl-4-methylphenol|2,6-DI-TERT-BUTYL-4-METHYLPHENOL(3,5-DI-TERT-BUTYL-4-HYDROXYTOLUENE)(2,6-DI-TERT-BUTYL-P-CRESOL)|2,6-Di-tert-butyl-4-methyphenol|2,6-Di-tert-butyl-p-cresol|2,6-Di-tert-butyl-p-cresol, 8CI|2,6-Di-tert-butyl-p-cresole|2,6-Di-tert-butyl-p-kresol|2,6-Di-tert-butyl-p-methylphenol|2,6-Di-tert-butylcresol|2,6-Di-tert-butylmethylphenol|2,6-DI-TERT.-BUTYL-P-KRESOL|2,6-Di(tert-butyl)hydroxytoluene|2,6-tert-Butyl-4-methylp|102962-45-8|1394965-02-6|1456709-94-6|1847425-90-4|2055662-96-7|259752-53-9|290348-23-1|338986-13-3|36631-28-4|42615-30-5|50356-19-9|50641-99-1|52683-46-2|53571-70-3|58500-82-6|83047-16-9|97123-41-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020216 https://doi.org/10.22427/NTP-DATA-DTXSID2020216
ARPathway2016 ARPathway2016_761 Butylated hydroxytoluene 128-37-0 DTXSID2020216 1.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C Butylated hydroxytoluene 128-37-0|Butylated hydroxytoluene|"Ionol" CP-antioxidant|1-Hydroxy-4-methyl-2,6-di-tert-butylbenzene|2,6-bis(1,1-Dimethylethyl)-4-methyl-phenol|2,6-Bis(1,1-dimethylethyl)-4-methylphenol|2,6-Bis(1,1-dimethylethyl)-4-methylphenol, 9CI|2,6-Bis(tert-butyl)-4-methylphenol|2,6-Di-t-butyl-4-methylphenol|2,6-di-terc-butil-p-cresol|2,6-Di-terc.butyl-p-kresol|2,6-DI-TERT BUTYL-4-METHYLPHENOL|2,6-Di-tert-butyl-1-hydroxy-4-methylbenzene|2,6-Di-tert-butyl-4-cresol|2,6-Di-tert-butyl-4-hydroxytoluene|2,6-DI-TERT-BUTYL-4-METHYL PHENOL|2,6-Di-tert-butyl-4-methyl-1-hydroxybenzene|2,6-Di-tert-butyl-4-methylhydroxybenzene|2,6-Di-tert-butyl-4-methylphenol|2,6-DI-TERT-BUTYL-4-METHYLPHENOL(3,5-DI-TERT-BUTYL-4-HYDROXYTOLUENE)(2,6-DI-TERT-BUTYL-P-CRESOL)|2,6-Di-tert-butyl-4-methyphenol|2,6-Di-tert-butyl-p-cresol|2,6-Di-tert-butyl-p-cresol, 8CI|2,6-Di-tert-butyl-p-cresole|2,6-Di-tert-butyl-p-kresol|2,6-Di-tert-butyl-p-methylphenol|2,6-Di-tert-butylcresol|2,6-Di-tert-butylmethylphenol|2,6-DI-TERT.-BUTYL-P-KRESOL|2,6-Di(tert-butyl)hydroxytoluene|2,6-tert-Butyl-4-methylp|102962-45-8|1394965-02-6|1456709-94-6|1847425-90-4|2055662-96-7|259752-53-9|290348-23-1|338986-13-3|36631-28-4|42615-30-5|50356-19-9|50641-99-1|52683-46-2|53571-70-3|58500-82-6|83047-16-9|97123-41-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020216 https://doi.org/10.22427/NTP-DATA-DTXSID2020216
ERPathway2016 ERPathway2016_791 Butylated hydroxytoluene 128-37-0 DTXSID2020216 A12 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C Butylated hydroxytoluene 128-37-0|Butylated hydroxytoluene|"Ionol" CP-antioxidant|1-Hydroxy-4-methyl-2,6-di-tert-butylbenzene|2,6-bis(1,1-Dimethylethyl)-4-methyl-phenol|2,6-Bis(1,1-dimethylethyl)-4-methylphenol|2,6-Bis(1,1-dimethylethyl)-4-methylphenol, 9CI|2,6-Bis(tert-butyl)-4-methylphenol|2,6-Di-t-butyl-4-methylphenol|2,6-di-terc-butil-p-cresol|2,6-Di-terc.butyl-p-kresol|2,6-DI-TERT BUTYL-4-METHYLPHENOL|2,6-Di-tert-butyl-1-hydroxy-4-methylbenzene|2,6-Di-tert-butyl-4-cresol|2,6-Di-tert-butyl-4-hydroxytoluene|2,6-DI-TERT-BUTYL-4-METHYL PHENOL|2,6-Di-tert-butyl-4-methyl-1-hydroxybenzene|2,6-Di-tert-butyl-4-methylhydroxybenzene|2,6-Di-tert-butyl-4-methylphenol|2,6-DI-TERT-BUTYL-4-METHYLPHENOL(3,5-DI-TERT-BUTYL-4-HYDROXYTOLUENE)(2,6-DI-TERT-BUTYL-P-CRESOL)|2,6-Di-tert-butyl-4-methyphenol|2,6-Di-tert-butyl-p-cresol|2,6-Di-tert-butyl-p-cresol, 8CI|2,6-Di-tert-butyl-p-cresole|2,6-Di-tert-butyl-p-kresol|2,6-Di-tert-butyl-p-methylphenol|2,6-Di-tert-butylcresol|2,6-Di-tert-butylmethylphenol|2,6-DI-TERT.-BUTYL-P-KRESOL|2,6-Di(tert-butyl)hydroxytoluene|2,6-tert-Butyl-4-methylp|102962-45-8|1394965-02-6|1456709-94-6|1847425-90-4|2055662-96-7|259752-53-9|290348-23-1|338986-13-3|36631-28-4|42615-30-5|50356-19-9|50641-99-1|52683-46-2|53571-70-3|58500-82-6|83047-16-9|97123-41-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020216 https://doi.org/10.22427/NTP-DATA-DTXSID2020216
ERPathway2016 ERPathway2016_791 Butylated hydroxytoluene 128-37-0 DTXSID2020216 A12 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C Butylated hydroxytoluene 128-37-0|Butylated hydroxytoluene|"Ionol" CP-antioxidant|1-Hydroxy-4-methyl-2,6-di-tert-butylbenzene|2,6-bis(1,1-Dimethylethyl)-4-methyl-phenol|2,6-Bis(1,1-dimethylethyl)-4-methylphenol|2,6-Bis(1,1-dimethylethyl)-4-methylphenol, 9CI|2,6-Bis(tert-butyl)-4-methylphenol|2,6-Di-t-butyl-4-methylphenol|2,6-di-terc-butil-p-cresol|2,6-Di-terc.butyl-p-kresol|2,6-DI-TERT BUTYL-4-METHYLPHENOL|2,6-Di-tert-butyl-1-hydroxy-4-methylbenzene|2,6-Di-tert-butyl-4-cresol|2,6-Di-tert-butyl-4-hydroxytoluene|2,6-DI-TERT-BUTYL-4-METHYL PHENOL|2,6-Di-tert-butyl-4-methyl-1-hydroxybenzene|2,6-Di-tert-butyl-4-methylhydroxybenzene|2,6-Di-tert-butyl-4-methylphenol|2,6-DI-TERT-BUTYL-4-METHYLPHENOL(3,5-DI-TERT-BUTYL-4-HYDROXYTOLUENE)(2,6-DI-TERT-BUTYL-P-CRESOL)|2,6-Di-tert-butyl-4-methyphenol|2,6-Di-tert-butyl-p-cresol|2,6-Di-tert-butyl-p-cresol, 8CI|2,6-Di-tert-butyl-p-cresole|2,6-Di-tert-butyl-p-kresol|2,6-Di-tert-butyl-p-methylphenol|2,6-Di-tert-butylcresol|2,6-Di-tert-butylmethylphenol|2,6-DI-TERT.-BUTYL-P-KRESOL|2,6-Di(tert-butyl)hydroxytoluene|2,6-tert-Butyl-4-methylp|102962-45-8|1394965-02-6|1456709-94-6|1847425-90-4|2055662-96-7|259752-53-9|290348-23-1|338986-13-3|36631-28-4|42615-30-5|50356-19-9|50641-99-1|52683-46-2|53571-70-3|58500-82-6|83047-16-9|97123-41-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020216 https://doi.org/10.22427/NTP-DATA-DTXSID2020216
ERPathway2016 ERPathway2016_791 Butylated hydroxytoluene 128-37-0 DTXSID2020216 A12 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C Butylated hydroxytoluene 128-37-0|Butylated hydroxytoluene|"Ionol" CP-antioxidant|1-Hydroxy-4-methyl-2,6-di-tert-butylbenzene|2,6-bis(1,1-Dimethylethyl)-4-methyl-phenol|2,6-Bis(1,1-dimethylethyl)-4-methylphenol|2,6-Bis(1,1-dimethylethyl)-4-methylphenol, 9CI|2,6-Bis(tert-butyl)-4-methylphenol|2,6-Di-t-butyl-4-methylphenol|2,6-di-terc-butil-p-cresol|2,6-Di-terc.butyl-p-kresol|2,6-DI-TERT BUTYL-4-METHYLPHENOL|2,6-Di-tert-butyl-1-hydroxy-4-methylbenzene|2,6-Di-tert-butyl-4-cresol|2,6-Di-tert-butyl-4-hydroxytoluene|2,6-DI-TERT-BUTYL-4-METHYL PHENOL|2,6-Di-tert-butyl-4-methyl-1-hydroxybenzene|2,6-Di-tert-butyl-4-methylhydroxybenzene|2,6-Di-tert-butyl-4-methylphenol|2,6-DI-TERT-BUTYL-4-METHYLPHENOL(3,5-DI-TERT-BUTYL-4-HYDROXYTOLUENE)(2,6-DI-TERT-BUTYL-P-CRESOL)|2,6-Di-tert-butyl-4-methyphenol|2,6-Di-tert-butyl-p-cresol|2,6-Di-tert-butyl-p-cresol, 8CI|2,6-Di-tert-butyl-p-cresole|2,6-Di-tert-butyl-p-kresol|2,6-Di-tert-butyl-p-methylphenol|2,6-Di-tert-butylcresol|2,6-Di-tert-butylmethylphenol|2,6-DI-TERT.-BUTYL-P-KRESOL|2,6-Di(tert-butyl)hydroxytoluene|2,6-tert-Butyl-4-methylp|102962-45-8|1394965-02-6|1456709-94-6|1847425-90-4|2055662-96-7|259752-53-9|290348-23-1|338986-13-3|36631-28-4|42615-30-5|50356-19-9|50641-99-1|52683-46-2|53571-70-3|58500-82-6|83047-16-9|97123-41-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020216 https://doi.org/10.22427/NTP-DATA-DTXSID2020216
ERPathway2016 ERPathway2016_791 Butylated hydroxytoluene 128-37-0 DTXSID2020216 A12 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C Butylated hydroxytoluene 128-37-0|Butylated hydroxytoluene|"Ionol" CP-antioxidant|1-Hydroxy-4-methyl-2,6-di-tert-butylbenzene|2,6-bis(1,1-Dimethylethyl)-4-methyl-phenol|2,6-Bis(1,1-dimethylethyl)-4-methylphenol|2,6-Bis(1,1-dimethylethyl)-4-methylphenol, 9CI|2,6-Bis(tert-butyl)-4-methylphenol|2,6-Di-t-butyl-4-methylphenol|2,6-di-terc-butil-p-cresol|2,6-Di-terc.butyl-p-kresol|2,6-DI-TERT BUTYL-4-METHYLPHENOL|2,6-Di-tert-butyl-1-hydroxy-4-methylbenzene|2,6-Di-tert-butyl-4-cresol|2,6-Di-tert-butyl-4-hydroxytoluene|2,6-DI-TERT-BUTYL-4-METHYL PHENOL|2,6-Di-tert-butyl-4-methyl-1-hydroxybenzene|2,6-Di-tert-butyl-4-methylhydroxybenzene|2,6-Di-tert-butyl-4-methylphenol|2,6-DI-TERT-BUTYL-4-METHYLPHENOL(3,5-DI-TERT-BUTYL-4-HYDROXYTOLUENE)(2,6-DI-TERT-BUTYL-P-CRESOL)|2,6-Di-tert-butyl-4-methyphenol|2,6-Di-tert-butyl-p-cresol|2,6-Di-tert-butyl-p-cresol, 8CI|2,6-Di-tert-butyl-p-cresole|2,6-Di-tert-butyl-p-kresol|2,6-Di-tert-butyl-p-methylphenol|2,6-Di-tert-butylcresol|2,6-Di-tert-butylmethylphenol|2,6-DI-TERT.-BUTYL-P-KRESOL|2,6-Di(tert-butyl)hydroxytoluene|2,6-tert-Butyl-4-methylp|102962-45-8|1394965-02-6|1456709-94-6|1847425-90-4|2055662-96-7|259752-53-9|290348-23-1|338986-13-3|36631-28-4|42615-30-5|50356-19-9|50641-99-1|52683-46-2|53571-70-3|58500-82-6|83047-16-9|97123-41-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020216 https://doi.org/10.22427/NTP-DATA-DTXSID2020216
ARPathway2016 ARPathway2016_447 Butylbenzene 104-51-8 DTXSID6022472 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC1=CC=CC=C1 Butylbenzene 104-51-8|Butylbenzene|1-Butylbenzene|1-Phenylbutane|4-05-00-01033|Benzene, butyl-|BRN 1903395|butilbenceno|Butylbenzol|EINECS 203-209-7|n-Butylbenzene|NSC 8465|UNII-S8XZ2901RZ|74296-32-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022472
ARPathway2016 ARPathway2016_447 Butylbenzene 104-51-8 DTXSID6022472 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC1=CC=CC=C1 Butylbenzene 104-51-8|Butylbenzene|1-Butylbenzene|1-Phenylbutane|4-05-00-01033|Benzene, butyl-|BRN 1903395|butilbenceno|Butylbenzol|EINECS 203-209-7|n-Butylbenzene|NSC 8465|UNII-S8XZ2901RZ|74296-32-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022472
ARPathway2016 ARPathway2016_447 Butylbenzene 104-51-8 DTXSID6022472 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC1=CC=CC=C1 Butylbenzene 104-51-8|Butylbenzene|1-Butylbenzene|1-Phenylbutane|4-05-00-01033|Benzene, butyl-|BRN 1903395|butilbenceno|Butylbenzol|EINECS 203-209-7|n-Butylbenzene|NSC 8465|UNII-S8XZ2901RZ|74296-32-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022472
ARPathway2016 ARPathway2016_447 Butylbenzene 104-51-8 DTXSID6022472 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC1=CC=CC=C1 Butylbenzene 104-51-8|Butylbenzene|1-Butylbenzene|1-Phenylbutane|4-05-00-01033|Benzene, butyl-|BRN 1903395|butilbenceno|Butylbenzol|EINECS 203-209-7|n-Butylbenzene|NSC 8465|UNII-S8XZ2901RZ|74296-32-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022472
ERPathway2016 ERPathway2016_1076 Butylbenzene 104-51-8 DTXSID6022472 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC1=CC=CC=C1 Butylbenzene 104-51-8|Butylbenzene|1-Butylbenzene|1-Phenylbutane|4-05-00-01033|Benzene, butyl-|BRN 1903395|butilbenceno|Butylbenzol|EINECS 203-209-7|n-Butylbenzene|NSC 8465|UNII-S8XZ2901RZ|74296-32-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022472
ERPathway2016 ERPathway2016_1076 Butylbenzene 104-51-8 DTXSID6022472 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC1=CC=CC=C1 Butylbenzene 104-51-8|Butylbenzene|1-Butylbenzene|1-Phenylbutane|4-05-00-01033|Benzene, butyl-|BRN 1903395|butilbenceno|Butylbenzol|EINECS 203-209-7|n-Butylbenzene|NSC 8465|UNII-S8XZ2901RZ|74296-32-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022472
ERPathway2016 ERPathway2016_1076 Butylbenzene 104-51-8 DTXSID6022472 ER Pathway Model, Agonist Call Inactive Unitless CCCCC1=CC=CC=C1 Butylbenzene 104-51-8|Butylbenzene|1-Butylbenzene|1-Phenylbutane|4-05-00-01033|Benzene, butyl-|BRN 1903395|butilbenceno|Butylbenzol|EINECS 203-209-7|n-Butylbenzene|NSC 8465|UNII-S8XZ2901RZ|74296-32-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022472
ERPathway2016 ERPathway2016_1076 Butylbenzene 104-51-8 DTXSID6022472 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC1=CC=CC=C1 Butylbenzene 104-51-8|Butylbenzene|1-Butylbenzene|1-Phenylbutane|4-05-00-01033|Benzene, butyl-|BRN 1903395|butilbenceno|Butylbenzol|EINECS 203-209-7|n-Butylbenzene|NSC 8465|UNII-S8XZ2901RZ|74296-32-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022472
ARPathway2016 ARPathway2016_1060 Butylnaphthalenesulfonic acid sodium salt 25638-17-9 DTXSID2041703 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless Butylnaphthalenesulfonic acid sodium salt 25638-17-9|Butylnaphthalenesulfonic acid sodium salt|Butylnaphthalenesulfonate sodium salt|EINECS 247-150-5|Naphthalenesulfonic acid, butyl-, sodium salt (1:1)|Sodium alkylnaphthalenesulfonate|Sodium butylnaphthalenesulphonate|12769-57-2|128858-86-6|27178-71-8|64886-90-4|73560-52-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041703
ARPathway2016 ARPathway2016_1060 Butylnaphthalenesulfonic acid sodium salt 25638-17-9 DTXSID2041703 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless Butylnaphthalenesulfonic acid sodium salt 25638-17-9|Butylnaphthalenesulfonic acid sodium salt|Butylnaphthalenesulfonate sodium salt|EINECS 247-150-5|Naphthalenesulfonic acid, butyl-, sodium salt (1:1)|Sodium alkylnaphthalenesulfonate|Sodium butylnaphthalenesulphonate|12769-57-2|128858-86-6|27178-71-8|64886-90-4|73560-52-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041703
ARPathway2016 ARPathway2016_1060 Butylnaphthalenesulfonic acid sodium salt 25638-17-9 DTXSID2041703 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless Butylnaphthalenesulfonic acid sodium salt 25638-17-9|Butylnaphthalenesulfonic acid sodium salt|Butylnaphthalenesulfonate sodium salt|EINECS 247-150-5|Naphthalenesulfonic acid, butyl-, sodium salt (1:1)|Sodium alkylnaphthalenesulfonate|Sodium butylnaphthalenesulphonate|12769-57-2|128858-86-6|27178-71-8|64886-90-4|73560-52-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041703
ARPathway2016 ARPathway2016_1060 Butylnaphthalenesulfonic acid sodium salt 25638-17-9 DTXSID2041703 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless Butylnaphthalenesulfonic acid sodium salt 25638-17-9|Butylnaphthalenesulfonic acid sodium salt|Butylnaphthalenesulfonate sodium salt|EINECS 247-150-5|Naphthalenesulfonic acid, butyl-, sodium salt (1:1)|Sodium alkylnaphthalenesulfonate|Sodium butylnaphthalenesulphonate|12769-57-2|128858-86-6|27178-71-8|64886-90-4|73560-52-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041703
ERPathway2016 ERPathway2016_1408 Butylnaphthalenesulfonic acid sodium salt 25638-17-9 DTXSID2041703 ER Pathway Model, Agonist Model Score 0 Unitless Butylnaphthalenesulfonic acid sodium salt 25638-17-9|Butylnaphthalenesulfonic acid sodium salt|Butylnaphthalenesulfonate sodium salt|EINECS 247-150-5|Naphthalenesulfonic acid, butyl-, sodium salt (1:1)|Sodium alkylnaphthalenesulfonate|Sodium butylnaphthalenesulphonate|12769-57-2|128858-86-6|27178-71-8|64886-90-4|73560-52-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041703
ERPathway2016 ERPathway2016_1408 Butylnaphthalenesulfonic acid sodium salt 25638-17-9 DTXSID2041703 ER Pathway Model, Antagonist Model Score 0 Unitless Butylnaphthalenesulfonic acid sodium salt 25638-17-9|Butylnaphthalenesulfonic acid sodium salt|Butylnaphthalenesulfonate sodium salt|EINECS 247-150-5|Naphthalenesulfonic acid, butyl-, sodium salt (1:1)|Sodium alkylnaphthalenesulfonate|Sodium butylnaphthalenesulphonate|12769-57-2|128858-86-6|27178-71-8|64886-90-4|73560-52-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041703
ERPathway2016 ERPathway2016_1408 Butylnaphthalenesulfonic acid sodium salt 25638-17-9 DTXSID2041703 ER Pathway Model, Agonist Call Inactive Unitless Butylnaphthalenesulfonic acid sodium salt 25638-17-9|Butylnaphthalenesulfonic acid sodium salt|Butylnaphthalenesulfonate sodium salt|EINECS 247-150-5|Naphthalenesulfonic acid, butyl-, sodium salt (1:1)|Sodium alkylnaphthalenesulfonate|Sodium butylnaphthalenesulphonate|12769-57-2|128858-86-6|27178-71-8|64886-90-4|73560-52-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041703
ERPathway2016 ERPathway2016_1408 Butylnaphthalenesulfonic acid sodium salt 25638-17-9 DTXSID2041703 ER Pathway Model, Antagonist Call Inactive Unitless Butylnaphthalenesulfonic acid sodium salt 25638-17-9|Butylnaphthalenesulfonic acid sodium salt|Butylnaphthalenesulfonate sodium salt|EINECS 247-150-5|Naphthalenesulfonic acid, butyl-, sodium salt (1:1)|Sodium alkylnaphthalenesulfonate|Sodium butylnaphthalenesulphonate|12769-57-2|128858-86-6|27178-71-8|64886-90-4|73560-52-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041703
ARPathway2016 ARPathway2016_1738 Butylparaben 94-26-8 DTXSID3020209 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)C1=CC=C(O)C=C1 Butylparaben 94-26-8|Butylparaben|4-(Butoxycarbonyl)phenol|4-hidroxibenzoato de butilo|4-Hydroxybenzoate de butyle|4-HYDROXYBENZOESAEURE-BUTYLESTER|4-Hydroxybenzoic acid butyl ester|Aseptoform Butyl|BENZOATE, 4-HYDROXY-, BUTYL|Benzoic acid, 4-hydroxy-, butyl ester|Benzoic acid, p-hydroxy-, butyl ester|BRN 1103741|Butoben|Butyl 4-hydroxybenzoate|Butyl Butex|Butyl chemosept|Butyl p-hydroxybenzoate|BUTYL PARABEN|Butyl parabens|Butyl parasept|Butyl Tegosept|Butyl-4-hydroxybenzoat|Butyl-Parasept|Butylparaben (TN)|Caswell No. 130A|EINECS 202-318-7|EPA Pesticide Chemical Code 061205|FEMA No. 2203|FEMA Number 2203|Mekkings B|n-Butyl 4-hydroxybenzoate|n-Butyl hydroxybenzoate|n-Butyl p-hydroxybenzoate|n-Butyl parahydroxybenzoate|n-Butyl-p-hydroxybenzoate|n-Butylparaben|Nipabutyl|NSC 13164|NSC 8475|p-Hydroxybenzoic acid butyl ester|P-OXYBUTYLBENZOATE|Preserval B|Solbrol B|Tegosept B|Tegosept Butyl|UNII-3QPI1U3FV8|1350551-41-5|8068-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020209 https://doi.org/10.22427/NTP-DATA-DTXSID3020209
ARPathway2016 ARPathway2016_1738 Butylparaben 94-26-8 DTXSID3020209 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)C1=CC=C(O)C=C1 Butylparaben 94-26-8|Butylparaben|4-(Butoxycarbonyl)phenol|4-hidroxibenzoato de butilo|4-Hydroxybenzoate de butyle|4-HYDROXYBENZOESAEURE-BUTYLESTER|4-Hydroxybenzoic acid butyl ester|Aseptoform Butyl|BENZOATE, 4-HYDROXY-, BUTYL|Benzoic acid, 4-hydroxy-, butyl ester|Benzoic acid, p-hydroxy-, butyl ester|BRN 1103741|Butoben|Butyl 4-hydroxybenzoate|Butyl Butex|Butyl chemosept|Butyl p-hydroxybenzoate|BUTYL PARABEN|Butyl parabens|Butyl parasept|Butyl Tegosept|Butyl-4-hydroxybenzoat|Butyl-Parasept|Butylparaben (TN)|Caswell No. 130A|EINECS 202-318-7|EPA Pesticide Chemical Code 061205|FEMA No. 2203|FEMA Number 2203|Mekkings B|n-Butyl 4-hydroxybenzoate|n-Butyl hydroxybenzoate|n-Butyl p-hydroxybenzoate|n-Butyl parahydroxybenzoate|n-Butyl-p-hydroxybenzoate|n-Butylparaben|Nipabutyl|NSC 13164|NSC 8475|p-Hydroxybenzoic acid butyl ester|P-OXYBUTYLBENZOATE|Preserval B|Solbrol B|Tegosept B|Tegosept Butyl|UNII-3QPI1U3FV8|1350551-41-5|8068-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020209 https://doi.org/10.22427/NTP-DATA-DTXSID3020209
ARPathway2016 ARPathway2016_1738 Butylparaben 94-26-8 DTXSID3020209 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)C1=CC=C(O)C=C1 Butylparaben 94-26-8|Butylparaben|4-(Butoxycarbonyl)phenol|4-hidroxibenzoato de butilo|4-Hydroxybenzoate de butyle|4-HYDROXYBENZOESAEURE-BUTYLESTER|4-Hydroxybenzoic acid butyl ester|Aseptoform Butyl|BENZOATE, 4-HYDROXY-, BUTYL|Benzoic acid, 4-hydroxy-, butyl ester|Benzoic acid, p-hydroxy-, butyl ester|BRN 1103741|Butoben|Butyl 4-hydroxybenzoate|Butyl Butex|Butyl chemosept|Butyl p-hydroxybenzoate|BUTYL PARABEN|Butyl parabens|Butyl parasept|Butyl Tegosept|Butyl-4-hydroxybenzoat|Butyl-Parasept|Butylparaben (TN)|Caswell No. 130A|EINECS 202-318-7|EPA Pesticide Chemical Code 061205|FEMA No. 2203|FEMA Number 2203|Mekkings B|n-Butyl 4-hydroxybenzoate|n-Butyl hydroxybenzoate|n-Butyl p-hydroxybenzoate|n-Butyl parahydroxybenzoate|n-Butyl-p-hydroxybenzoate|n-Butylparaben|Nipabutyl|NSC 13164|NSC 8475|p-Hydroxybenzoic acid butyl ester|P-OXYBUTYLBENZOATE|Preserval B|Solbrol B|Tegosept B|Tegosept Butyl|UNII-3QPI1U3FV8|1350551-41-5|8068-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020209 https://doi.org/10.22427/NTP-DATA-DTXSID3020209
ARPathway2016 ARPathway2016_1738 Butylparaben 94-26-8 DTXSID3020209 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)C1=CC=C(O)C=C1 Butylparaben 94-26-8|Butylparaben|4-(Butoxycarbonyl)phenol|4-hidroxibenzoato de butilo|4-Hydroxybenzoate de butyle|4-HYDROXYBENZOESAEURE-BUTYLESTER|4-Hydroxybenzoic acid butyl ester|Aseptoform Butyl|BENZOATE, 4-HYDROXY-, BUTYL|Benzoic acid, 4-hydroxy-, butyl ester|Benzoic acid, p-hydroxy-, butyl ester|BRN 1103741|Butoben|Butyl 4-hydroxybenzoate|Butyl Butex|Butyl chemosept|Butyl p-hydroxybenzoate|BUTYL PARABEN|Butyl parabens|Butyl parasept|Butyl Tegosept|Butyl-4-hydroxybenzoat|Butyl-Parasept|Butylparaben (TN)|Caswell No. 130A|EINECS 202-318-7|EPA Pesticide Chemical Code 061205|FEMA No. 2203|FEMA Number 2203|Mekkings B|n-Butyl 4-hydroxybenzoate|n-Butyl hydroxybenzoate|n-Butyl p-hydroxybenzoate|n-Butyl parahydroxybenzoate|n-Butyl-p-hydroxybenzoate|n-Butylparaben|Nipabutyl|NSC 13164|NSC 8475|p-Hydroxybenzoic acid butyl ester|P-OXYBUTYLBENZOATE|Preserval B|Solbrol B|Tegosept B|Tegosept Butyl|UNII-3QPI1U3FV8|1350551-41-5|8068-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020209 https://doi.org/10.22427/NTP-DATA-DTXSID3020209
ERPathway2016 ERPathway2016_190 Butylparaben 94-26-8 DTXSID3020209 Agonist ER Pathway Model, Antagonist AC50 4.6867652031015 uM CCCCOC(=O)C1=CC=C(O)C=C1 Butylparaben 94-26-8|Butylparaben|4-(Butoxycarbonyl)phenol|4-hidroxibenzoato de butilo|4-Hydroxybenzoate de butyle|4-HYDROXYBENZOESAEURE-BUTYLESTER|4-Hydroxybenzoic acid butyl ester|Aseptoform Butyl|BENZOATE, 4-HYDROXY-, BUTYL|Benzoic acid, 4-hydroxy-, butyl ester|Benzoic acid, p-hydroxy-, butyl ester|BRN 1103741|Butoben|Butyl 4-hydroxybenzoate|Butyl Butex|Butyl chemosept|Butyl p-hydroxybenzoate|BUTYL PARABEN|Butyl parabens|Butyl parasept|Butyl Tegosept|Butyl-4-hydroxybenzoat|Butyl-Parasept|Butylparaben (TN)|Caswell No. 130A|EINECS 202-318-7|EPA Pesticide Chemical Code 061205|FEMA No. 2203|FEMA Number 2203|Mekkings B|n-Butyl 4-hydroxybenzoate|n-Butyl hydroxybenzoate|n-Butyl p-hydroxybenzoate|n-Butyl parahydroxybenzoate|n-Butyl-p-hydroxybenzoate|n-Butylparaben|Nipabutyl|NSC 13164|NSC 8475|p-Hydroxybenzoic acid butyl ester|P-OXYBUTYLBENZOATE|Preserval B|Solbrol B|Tegosept B|Tegosept Butyl|UNII-3QPI1U3FV8|1350551-41-5|8068-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020209 https://doi.org/10.22427/NTP-DATA-DTXSID3020209
ERPathway2016 ERPathway2016_190 Butylparaben 94-26-8 DTXSID3020209 Agonist ER Pathway Model, Antagonist ACC 1.98886677293605 uM CCCCOC(=O)C1=CC=C(O)C=C1 Butylparaben 94-26-8|Butylparaben|4-(Butoxycarbonyl)phenol|4-hidroxibenzoato de butilo|4-Hydroxybenzoate de butyle|4-HYDROXYBENZOESAEURE-BUTYLESTER|4-Hydroxybenzoic acid butyl ester|Aseptoform Butyl|BENZOATE, 4-HYDROXY-, BUTYL|Benzoic acid, 4-hydroxy-, butyl ester|Benzoic acid, p-hydroxy-, butyl ester|BRN 1103741|Butoben|Butyl 4-hydroxybenzoate|Butyl Butex|Butyl chemosept|Butyl p-hydroxybenzoate|BUTYL PARABEN|Butyl parabens|Butyl parasept|Butyl Tegosept|Butyl-4-hydroxybenzoat|Butyl-Parasept|Butylparaben (TN)|Caswell No. 130A|EINECS 202-318-7|EPA Pesticide Chemical Code 061205|FEMA No. 2203|FEMA Number 2203|Mekkings B|n-Butyl 4-hydroxybenzoate|n-Butyl hydroxybenzoate|n-Butyl p-hydroxybenzoate|n-Butyl parahydroxybenzoate|n-Butyl-p-hydroxybenzoate|n-Butylparaben|Nipabutyl|NSC 13164|NSC 8475|p-Hydroxybenzoic acid butyl ester|P-OXYBUTYLBENZOATE|Preserval B|Solbrol B|Tegosept B|Tegosept Butyl|UNII-3QPI1U3FV8|1350551-41-5|8068-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020209 https://doi.org/10.22427/NTP-DATA-DTXSID3020209
ERPathway2016 ERPathway2016_190 Butylparaben 94-26-8 DTXSID3020209 Agonist ER Pathway Model, Agonist Model Score 0.251 Unitless CCCCOC(=O)C1=CC=C(O)C=C1 Butylparaben 94-26-8|Butylparaben|4-(Butoxycarbonyl)phenol|4-hidroxibenzoato de butilo|4-Hydroxybenzoate de butyle|4-HYDROXYBENZOESAEURE-BUTYLESTER|4-Hydroxybenzoic acid butyl ester|Aseptoform Butyl|BENZOATE, 4-HYDROXY-, BUTYL|Benzoic acid, 4-hydroxy-, butyl ester|Benzoic acid, p-hydroxy-, butyl ester|BRN 1103741|Butoben|Butyl 4-hydroxybenzoate|Butyl Butex|Butyl chemosept|Butyl p-hydroxybenzoate|BUTYL PARABEN|Butyl parabens|Butyl parasept|Butyl Tegosept|Butyl-4-hydroxybenzoat|Butyl-Parasept|Butylparaben (TN)|Caswell No. 130A|EINECS 202-318-7|EPA Pesticide Chemical Code 061205|FEMA No. 2203|FEMA Number 2203|Mekkings B|n-Butyl 4-hydroxybenzoate|n-Butyl hydroxybenzoate|n-Butyl p-hydroxybenzoate|n-Butyl parahydroxybenzoate|n-Butyl-p-hydroxybenzoate|n-Butylparaben|Nipabutyl|NSC 13164|NSC 8475|p-Hydroxybenzoic acid butyl ester|P-OXYBUTYLBENZOATE|Preserval B|Solbrol B|Tegosept B|Tegosept Butyl|UNII-3QPI1U3FV8|1350551-41-5|8068-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020209 https://doi.org/10.22427/NTP-DATA-DTXSID3020209
ERPathway2016 ERPathway2016_190 Butylparaben 94-26-8 DTXSID3020209 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)C1=CC=C(O)C=C1 Butylparaben 94-26-8|Butylparaben|4-(Butoxycarbonyl)phenol|4-hidroxibenzoato de butilo|4-Hydroxybenzoate de butyle|4-HYDROXYBENZOESAEURE-BUTYLESTER|4-Hydroxybenzoic acid butyl ester|Aseptoform Butyl|BENZOATE, 4-HYDROXY-, BUTYL|Benzoic acid, 4-hydroxy-, butyl ester|Benzoic acid, p-hydroxy-, butyl ester|BRN 1103741|Butoben|Butyl 4-hydroxybenzoate|Butyl Butex|Butyl chemosept|Butyl p-hydroxybenzoate|BUTYL PARABEN|Butyl parabens|Butyl parasept|Butyl Tegosept|Butyl-4-hydroxybenzoat|Butyl-Parasept|Butylparaben (TN)|Caswell No. 130A|EINECS 202-318-7|EPA Pesticide Chemical Code 061205|FEMA No. 2203|FEMA Number 2203|Mekkings B|n-Butyl 4-hydroxybenzoate|n-Butyl hydroxybenzoate|n-Butyl p-hydroxybenzoate|n-Butyl parahydroxybenzoate|n-Butyl-p-hydroxybenzoate|n-Butylparaben|Nipabutyl|NSC 13164|NSC 8475|p-Hydroxybenzoic acid butyl ester|P-OXYBUTYLBENZOATE|Preserval B|Solbrol B|Tegosept B|Tegosept Butyl|UNII-3QPI1U3FV8|1350551-41-5|8068-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020209 https://doi.org/10.22427/NTP-DATA-DTXSID3020209
ERPathway2016 ERPathway2016_190 Butylparaben 94-26-8 DTXSID3020209 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)C1=CC=C(O)C=C1 Butylparaben 94-26-8|Butylparaben|4-(Butoxycarbonyl)phenol|4-hidroxibenzoato de butilo|4-Hydroxybenzoate de butyle|4-HYDROXYBENZOESAEURE-BUTYLESTER|4-Hydroxybenzoic acid butyl ester|Aseptoform Butyl|BENZOATE, 4-HYDROXY-, BUTYL|Benzoic acid, 4-hydroxy-, butyl ester|Benzoic acid, p-hydroxy-, butyl ester|BRN 1103741|Butoben|Butyl 4-hydroxybenzoate|Butyl Butex|Butyl chemosept|Butyl p-hydroxybenzoate|BUTYL PARABEN|Butyl parabens|Butyl parasept|Butyl Tegosept|Butyl-4-hydroxybenzoat|Butyl-Parasept|Butylparaben (TN)|Caswell No. 130A|EINECS 202-318-7|EPA Pesticide Chemical Code 061205|FEMA No. 2203|FEMA Number 2203|Mekkings B|n-Butyl 4-hydroxybenzoate|n-Butyl hydroxybenzoate|n-Butyl p-hydroxybenzoate|n-Butyl parahydroxybenzoate|n-Butyl-p-hydroxybenzoate|n-Butylparaben|Nipabutyl|NSC 13164|NSC 8475|p-Hydroxybenzoic acid butyl ester|P-OXYBUTYLBENZOATE|Preserval B|Solbrol B|Tegosept B|Tegosept Butyl|UNII-3QPI1U3FV8|1350551-41-5|8068-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020209 https://doi.org/10.22427/NTP-DATA-DTXSID3020209
ERPathway2016 ERPathway2016_190 Butylparaben 94-26-8 DTXSID3020209 Agonist ER Pathway Model, Antagonist Call Active Unitless CCCCOC(=O)C1=CC=C(O)C=C1 Butylparaben 94-26-8|Butylparaben|4-(Butoxycarbonyl)phenol|4-hidroxibenzoato de butilo|4-Hydroxybenzoate de butyle|4-HYDROXYBENZOESAEURE-BUTYLESTER|4-Hydroxybenzoic acid butyl ester|Aseptoform Butyl|BENZOATE, 4-HYDROXY-, BUTYL|Benzoic acid, 4-hydroxy-, butyl ester|Benzoic acid, p-hydroxy-, butyl ester|BRN 1103741|Butoben|Butyl 4-hydroxybenzoate|Butyl Butex|Butyl chemosept|Butyl p-hydroxybenzoate|BUTYL PARABEN|Butyl parabens|Butyl parasept|Butyl Tegosept|Butyl-4-hydroxybenzoat|Butyl-Parasept|Butylparaben (TN)|Caswell No. 130A|EINECS 202-318-7|EPA Pesticide Chemical Code 061205|FEMA No. 2203|FEMA Number 2203|Mekkings B|n-Butyl 4-hydroxybenzoate|n-Butyl hydroxybenzoate|n-Butyl p-hydroxybenzoate|n-Butyl parahydroxybenzoate|n-Butyl-p-hydroxybenzoate|n-Butylparaben|Nipabutyl|NSC 13164|NSC 8475|p-Hydroxybenzoic acid butyl ester|P-OXYBUTYLBENZOATE|Preserval B|Solbrol B|Tegosept B|Tegosept Butyl|UNII-3QPI1U3FV8|1350551-41-5|8068-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020209 https://doi.org/10.22427/NTP-DATA-DTXSID3020209
ARPathway2016 ARPathway2016_581 Butyltin trichloride 1118-46-3 DTXSID0029210 1.0 A2 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC[Sn](Cl)(Cl)Cl Butyltin trichloride 1118-46-3|Butyltin trichloride|BRN 3535350|Butyl trichloro tin|Butylstannium trichloride|Butyltrichlorostannane|Butyltrichlorotin|Chlorid n-butylcinicity|EINECS 214-263-6|MBTC|Monobutyltin trichloride|N-Butyltin trichloride|NSC 67013|Stannane, butyltrichloro-|Stannane, trichlorobutyl-|Tin, n-butyl-, trichloride|Trichlorobutylstannane|Trichlorobutyltin|UNII-9R2DZM42GM https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029210 https://doi.org/10.22427/NTP-DATA-DTXSID0029210
ARPathway2016 ARPathway2016_581 Butyltin trichloride 1118-46-3 DTXSID0029210 1.0 A2 AR Pathway Model, Agonist Model Score 0 Unitless CCCC[Sn](Cl)(Cl)Cl Butyltin trichloride 1118-46-3|Butyltin trichloride|BRN 3535350|Butyl trichloro tin|Butylstannium trichloride|Butyltrichlorostannane|Butyltrichlorotin|Chlorid n-butylcinicity|EINECS 214-263-6|MBTC|Monobutyltin trichloride|N-Butyltin trichloride|NSC 67013|Stannane, butyltrichloro-|Stannane, trichlorobutyl-|Tin, n-butyl-, trichloride|Trichlorobutylstannane|Trichlorobutyltin|UNII-9R2DZM42GM https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029210 https://doi.org/10.22427/NTP-DATA-DTXSID0029210
ARPathway2016 ARPathway2016_581 Butyltin trichloride 1118-46-3 DTXSID0029210 1.0 A2 AR Pathway Model, Agonist Call Inactive Unitless CCCC[Sn](Cl)(Cl)Cl Butyltin trichloride 1118-46-3|Butyltin trichloride|BRN 3535350|Butyl trichloro tin|Butylstannium trichloride|Butyltrichlorostannane|Butyltrichlorotin|Chlorid n-butylcinicity|EINECS 214-263-6|MBTC|Monobutyltin trichloride|N-Butyltin trichloride|NSC 67013|Stannane, butyltrichloro-|Stannane, trichlorobutyl-|Tin, n-butyl-, trichloride|Trichlorobutylstannane|Trichlorobutyltin|UNII-9R2DZM42GM https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029210 https://doi.org/10.22427/NTP-DATA-DTXSID0029210
ARPathway2016 ARPathway2016_581 Butyltin trichloride 1118-46-3 DTXSID0029210 1.0 A2 AR Pathway Model, Antagonist Call Inactive Unitless CCCC[Sn](Cl)(Cl)Cl Butyltin trichloride 1118-46-3|Butyltin trichloride|BRN 3535350|Butyl trichloro tin|Butylstannium trichloride|Butyltrichlorostannane|Butyltrichlorotin|Chlorid n-butylcinicity|EINECS 214-263-6|MBTC|Monobutyltin trichloride|N-Butyltin trichloride|NSC 67013|Stannane, butyltrichloro-|Stannane, trichlorobutyl-|Tin, n-butyl-, trichloride|Trichlorobutylstannane|Trichlorobutyltin|UNII-9R2DZM42GM https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029210 https://doi.org/10.22427/NTP-DATA-DTXSID0029210
ERPathway2016 ERPathway2016_1158 Butyltin trichloride 1118-46-3 DTXSID0029210 ER Pathway Model, Agonist Model Score 0 Unitless CCCC[Sn](Cl)(Cl)Cl Butyltin trichloride 1118-46-3|Butyltin trichloride|BRN 3535350|Butyl trichloro tin|Butylstannium trichloride|Butyltrichlorostannane|Butyltrichlorotin|Chlorid n-butylcinicity|EINECS 214-263-6|MBTC|Monobutyltin trichloride|N-Butyltin trichloride|NSC 67013|Stannane, butyltrichloro-|Stannane, trichlorobutyl-|Tin, n-butyl-, trichloride|Trichlorobutylstannane|Trichlorobutyltin|UNII-9R2DZM42GM https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029210 https://doi.org/10.22427/NTP-DATA-DTXSID0029210
ERPathway2016 ERPathway2016_1158 Butyltin trichloride 1118-46-3 DTXSID0029210 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC[Sn](Cl)(Cl)Cl Butyltin trichloride 1118-46-3|Butyltin trichloride|BRN 3535350|Butyl trichloro tin|Butylstannium trichloride|Butyltrichlorostannane|Butyltrichlorotin|Chlorid n-butylcinicity|EINECS 214-263-6|MBTC|Monobutyltin trichloride|N-Butyltin trichloride|NSC 67013|Stannane, butyltrichloro-|Stannane, trichlorobutyl-|Tin, n-butyl-, trichloride|Trichlorobutylstannane|Trichlorobutyltin|UNII-9R2DZM42GM https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029210 https://doi.org/10.22427/NTP-DATA-DTXSID0029210
ERPathway2016 ERPathway2016_1158 Butyltin trichloride 1118-46-3 DTXSID0029210 ER Pathway Model, Agonist Call Inactive Unitless CCCC[Sn](Cl)(Cl)Cl Butyltin trichloride 1118-46-3|Butyltin trichloride|BRN 3535350|Butyl trichloro tin|Butylstannium trichloride|Butyltrichlorostannane|Butyltrichlorotin|Chlorid n-butylcinicity|EINECS 214-263-6|MBTC|Monobutyltin trichloride|N-Butyltin trichloride|NSC 67013|Stannane, butyltrichloro-|Stannane, trichlorobutyl-|Tin, n-butyl-, trichloride|Trichlorobutylstannane|Trichlorobutyltin|UNII-9R2DZM42GM https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029210 https://doi.org/10.22427/NTP-DATA-DTXSID0029210
ERPathway2016 ERPathway2016_1158 Butyltin trichloride 1118-46-3 DTXSID0029210 ER Pathway Model, Antagonist Call Inactive Unitless CCCC[Sn](Cl)(Cl)Cl Butyltin trichloride 1118-46-3|Butyltin trichloride|BRN 3535350|Butyl trichloro tin|Butylstannium trichloride|Butyltrichlorostannane|Butyltrichlorotin|Chlorid n-butylcinicity|EINECS 214-263-6|MBTC|Monobutyltin trichloride|N-Butyltin trichloride|NSC 67013|Stannane, butyltrichloro-|Stannane, trichlorobutyl-|Tin, n-butyl-, trichloride|Trichlorobutylstannane|Trichlorobutyltin|UNII-9R2DZM42GM https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029210 https://doi.org/10.22427/NTP-DATA-DTXSID0029210
ARPathway2016 ARPathway2016_550 Butyraldehyde oxime 110-69-0 DTXSID2024664 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC=NO Butyraldehyde oxime 110-69-0|Butyraldehyde oxime|(1E)-Butanal oxime|(E)-CH3(CH2)2CH=NOH|4-01-00-03234|BRN 1698799|Butanal oxime|Butanal, oxime|Butylaldoxime|Butyraldehyde oxime|Butyraldoxime|EINECS 203-792-8|Exkin No. 1 anti-skinning agent|m-Butyraldehyde oxime|n-Butyraldehyde oxime|n-Butyraldoxime|NSC 1487|Troykyd Anti-skin BTO https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024664 https://doi.org/10.22427/NTP-DATA-DTXSID2024664
ARPathway2016 ARPathway2016_550 Butyraldehyde oxime 110-69-0 DTXSID2024664 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCCC=NO Butyraldehyde oxime 110-69-0|Butyraldehyde oxime|(1E)-Butanal oxime|(E)-CH3(CH2)2CH=NOH|4-01-00-03234|BRN 1698799|Butanal oxime|Butanal, oxime|Butylaldoxime|Butyraldehyde oxime|Butyraldoxime|EINECS 203-792-8|Exkin No. 1 anti-skinning agent|m-Butyraldehyde oxime|n-Butyraldehyde oxime|n-Butyraldoxime|NSC 1487|Troykyd Anti-skin BTO https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024664 https://doi.org/10.22427/NTP-DATA-DTXSID2024664
ARPathway2016 ARPathway2016_550 Butyraldehyde oxime 110-69-0 DTXSID2024664 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCCC=NO Butyraldehyde oxime 110-69-0|Butyraldehyde oxime|(1E)-Butanal oxime|(E)-CH3(CH2)2CH=NOH|4-01-00-03234|BRN 1698799|Butanal oxime|Butanal, oxime|Butylaldoxime|Butyraldehyde oxime|Butyraldoxime|EINECS 203-792-8|Exkin No. 1 anti-skinning agent|m-Butyraldehyde oxime|n-Butyraldehyde oxime|n-Butyraldoxime|NSC 1487|Troykyd Anti-skin BTO https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024664 https://doi.org/10.22427/NTP-DATA-DTXSID2024664
ARPathway2016 ARPathway2016_550 Butyraldehyde oxime 110-69-0 DTXSID2024664 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCCC=NO Butyraldehyde oxime 110-69-0|Butyraldehyde oxime|(1E)-Butanal oxime|(E)-CH3(CH2)2CH=NOH|4-01-00-03234|BRN 1698799|Butanal oxime|Butanal, oxime|Butylaldoxime|Butyraldehyde oxime|Butyraldoxime|EINECS 203-792-8|Exkin No. 1 anti-skinning agent|m-Butyraldehyde oxime|n-Butyraldehyde oxime|n-Butyraldoxime|NSC 1487|Troykyd Anti-skin BTO https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024664 https://doi.org/10.22427/NTP-DATA-DTXSID2024664
ERPathway2016 ERPathway2016_896 Butyraldehyde oxime 110-69-0 DTXSID2024664 ER Pathway Model, Agonist Model Score 0 Unitless CCCC=NO Butyraldehyde oxime 110-69-0|Butyraldehyde oxime|(1E)-Butanal oxime|(E)-CH3(CH2)2CH=NOH|4-01-00-03234|BRN 1698799|Butanal oxime|Butanal, oxime|Butylaldoxime|Butyraldehyde oxime|Butyraldoxime|EINECS 203-792-8|Exkin No. 1 anti-skinning agent|m-Butyraldehyde oxime|n-Butyraldehyde oxime|n-Butyraldoxime|NSC 1487|Troykyd Anti-skin BTO https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024664 https://doi.org/10.22427/NTP-DATA-DTXSID2024664
ERPathway2016 ERPathway2016_896 Butyraldehyde oxime 110-69-0 DTXSID2024664 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC=NO Butyraldehyde oxime 110-69-0|Butyraldehyde oxime|(1E)-Butanal oxime|(E)-CH3(CH2)2CH=NOH|4-01-00-03234|BRN 1698799|Butanal oxime|Butanal, oxime|Butylaldoxime|Butyraldehyde oxime|Butyraldoxime|EINECS 203-792-8|Exkin No. 1 anti-skinning agent|m-Butyraldehyde oxime|n-Butyraldehyde oxime|n-Butyraldoxime|NSC 1487|Troykyd Anti-skin BTO https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024664 https://doi.org/10.22427/NTP-DATA-DTXSID2024664
ERPathway2016 ERPathway2016_896 Butyraldehyde oxime 110-69-0 DTXSID2024664 ER Pathway Model, Agonist Call Inactive Unitless CCCC=NO Butyraldehyde oxime 110-69-0|Butyraldehyde oxime|(1E)-Butanal oxime|(E)-CH3(CH2)2CH=NOH|4-01-00-03234|BRN 1698799|Butanal oxime|Butanal, oxime|Butylaldoxime|Butyraldehyde oxime|Butyraldoxime|EINECS 203-792-8|Exkin No. 1 anti-skinning agent|m-Butyraldehyde oxime|n-Butyraldehyde oxime|n-Butyraldoxime|NSC 1487|Troykyd Anti-skin BTO https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024664 https://doi.org/10.22427/NTP-DATA-DTXSID2024664
ERPathway2016 ERPathway2016_896 Butyraldehyde oxime 110-69-0 DTXSID2024664 ER Pathway Model, Antagonist Call Inactive Unitless CCCC=NO Butyraldehyde oxime 110-69-0|Butyraldehyde oxime|(1E)-Butanal oxime|(E)-CH3(CH2)2CH=NOH|4-01-00-03234|BRN 1698799|Butanal oxime|Butanal, oxime|Butylaldoxime|Butyraldehyde oxime|Butyraldoxime|EINECS 203-792-8|Exkin No. 1 anti-skinning agent|m-Butyraldehyde oxime|n-Butyraldehyde oxime|n-Butyraldoxime|NSC 1487|Troykyd Anti-skin BTO https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024664 https://doi.org/10.22427/NTP-DATA-DTXSID2024664
ARPathway2016 ARPathway2016_1622 Butyryl-n-trihexylcitrate 82469-79-2 DTXSID0047535 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC Butyryl-n-trihexylcitrate 82469-79-2|Butyryl-n-trihexylcitrate|1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 1,2,3-trihexyl ester|1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester|Butyryl trihexyl citrate|N-BUTYRYL TRI-N-HEXYL CITRATE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047535
ARPathway2016 ARPathway2016_1622 Butyryl-n-trihexylcitrate 82469-79-2 DTXSID0047535 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC Butyryl-n-trihexylcitrate 82469-79-2|Butyryl-n-trihexylcitrate|1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 1,2,3-trihexyl ester|1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester|Butyryl trihexyl citrate|N-BUTYRYL TRI-N-HEXYL CITRATE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047535
ARPathway2016 ARPathway2016_1622 Butyryl-n-trihexylcitrate 82469-79-2 DTXSID0047535 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC Butyryl-n-trihexylcitrate 82469-79-2|Butyryl-n-trihexylcitrate|1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 1,2,3-trihexyl ester|1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester|Butyryl trihexyl citrate|N-BUTYRYL TRI-N-HEXYL CITRATE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047535
ARPathway2016 ARPathway2016_1622 Butyryl-n-trihexylcitrate 82469-79-2 DTXSID0047535 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC Butyryl-n-trihexylcitrate 82469-79-2|Butyryl-n-trihexylcitrate|1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 1,2,3-trihexyl ester|1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester|Butyryl trihexyl citrate|N-BUTYRYL TRI-N-HEXYL CITRATE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047535
ERPathway2016 ERPathway2016_1691 Butyryl-n-trihexylcitrate 82469-79-2 DTXSID0047535 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC Butyryl-n-trihexylcitrate 82469-79-2|Butyryl-n-trihexylcitrate|1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 1,2,3-trihexyl ester|1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester|Butyryl trihexyl citrate|N-BUTYRYL TRI-N-HEXYL CITRATE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047535
ERPathway2016 ERPathway2016_1691 Butyryl-n-trihexylcitrate 82469-79-2 DTXSID0047535 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC Butyryl-n-trihexylcitrate 82469-79-2|Butyryl-n-trihexylcitrate|1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 1,2,3-trihexyl ester|1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester|Butyryl trihexyl citrate|N-BUTYRYL TRI-N-HEXYL CITRATE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047535
ERPathway2016 ERPathway2016_1691 Butyryl-n-trihexylcitrate 82469-79-2 DTXSID0047535 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC Butyryl-n-trihexylcitrate 82469-79-2|Butyryl-n-trihexylcitrate|1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 1,2,3-trihexyl ester|1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester|Butyryl trihexyl citrate|N-BUTYRYL TRI-N-HEXYL CITRATE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047535
ERPathway2016 ERPathway2016_1691 Butyryl-n-trihexylcitrate 82469-79-2 DTXSID0047535 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC Butyryl-n-trihexylcitrate 82469-79-2|Butyryl-n-trihexylcitrate|1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 1,2,3-trihexyl ester|1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester|Butyryl trihexyl citrate|N-BUTYRYL TRI-N-HEXYL CITRATE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047535
ARPathway2016 ARPathway2016_766 C.I. Acid Blue 1, sodium salt 129-17-9 DTXSID3026065 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=C(C=C(C=C1)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Blue 1, sodium salt 129-17-9|C.I. Acid Blue 1, sodium salt|(4-(alpha-(4-Diethylaminophenyl)-2,4-disulfobenzyliden)-2,5-cyclohexadienylden)diethylammoniumhydroxid, inneres salz, natriumsalz|[4-[a-[p-(Diethylamino)phenyl]-2,4-disulfobenzylidene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydroxide, inner salt, sodium salt|4,4'-Di(diethylamino)-4',6'-disulphotriphenylmethanol anhydride, sodium salt|Acid Blue 1|Acid Blue V|Acid bright azure Z|Acid Brilliant Blue VF|Acid Brilliant Blue Z|Acid Brilliant Sky Blue Z|Acid Leather Blue V|Aizen Brilliant Acid Pure Blue VH|Alphazurine 2G|Amacid Blue V|Anhydro-4,4'-bis(diethylamino)triphenylmethanol-2',4''-disulphonic acid, monosodium salt|Blue URS|Blue VRS|Brilliant Acid Blue A Export|Brilliant Acid Blue V Extra|Brilliant Acid Blue VS|Brilliant Blue GS|Bucacid Patent Blue VF|C.I. Acid Blue 1|C.I. Acid Blue 1, sodium salt|C.I. Food Blue 3|Carmin Blue VS|Carmine Blue VF|Disulphen Blau|Disulphine Blue VN|Disulphine Blue VN 150|Disulphine VN|Edicol Supra Blue VR|EINECS 204-934-1|Erio Brilliant Blue V|Erioglaucine Supra|Ethanaminiu|220750-19-6|64366-33-2|66554-69-6|81604-53-7|856315-34-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026065 https://doi.org/10.22427/NTP-DATA-DTXSID3026065
ARPathway2016 ARPathway2016_766 C.I. Acid Blue 1, sodium salt 129-17-9 DTXSID3026065 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=C(C=C(C=C1)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Blue 1, sodium salt 129-17-9|C.I. Acid Blue 1, sodium salt|(4-(alpha-(4-Diethylaminophenyl)-2,4-disulfobenzyliden)-2,5-cyclohexadienylden)diethylammoniumhydroxid, inneres salz, natriumsalz|[4-[a-[p-(Diethylamino)phenyl]-2,4-disulfobenzylidene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydroxide, inner salt, sodium salt|4,4'-Di(diethylamino)-4',6'-disulphotriphenylmethanol anhydride, sodium salt|Acid Blue 1|Acid Blue V|Acid bright azure Z|Acid Brilliant Blue VF|Acid Brilliant Blue Z|Acid Brilliant Sky Blue Z|Acid Leather Blue V|Aizen Brilliant Acid Pure Blue VH|Alphazurine 2G|Amacid Blue V|Anhydro-4,4'-bis(diethylamino)triphenylmethanol-2',4''-disulphonic acid, monosodium salt|Blue URS|Blue VRS|Brilliant Acid Blue A Export|Brilliant Acid Blue V Extra|Brilliant Acid Blue VS|Brilliant Blue GS|Bucacid Patent Blue VF|C.I. Acid Blue 1|C.I. Acid Blue 1, sodium salt|C.I. Food Blue 3|Carmin Blue VS|Carmine Blue VF|Disulphen Blau|Disulphine Blue VN|Disulphine Blue VN 150|Disulphine VN|Edicol Supra Blue VR|EINECS 204-934-1|Erio Brilliant Blue V|Erioglaucine Supra|Ethanaminiu|220750-19-6|64366-33-2|66554-69-6|81604-53-7|856315-34-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026065 https://doi.org/10.22427/NTP-DATA-DTXSID3026065
ARPathway2016 ARPathway2016_766 C.I. Acid Blue 1, sodium salt 129-17-9 DTXSID3026065 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=C(C=C(C=C1)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Blue 1, sodium salt 129-17-9|C.I. Acid Blue 1, sodium salt|(4-(alpha-(4-Diethylaminophenyl)-2,4-disulfobenzyliden)-2,5-cyclohexadienylden)diethylammoniumhydroxid, inneres salz, natriumsalz|[4-[a-[p-(Diethylamino)phenyl]-2,4-disulfobenzylidene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydroxide, inner salt, sodium salt|4,4'-Di(diethylamino)-4',6'-disulphotriphenylmethanol anhydride, sodium salt|Acid Blue 1|Acid Blue V|Acid bright azure Z|Acid Brilliant Blue VF|Acid Brilliant Blue Z|Acid Brilliant Sky Blue Z|Acid Leather Blue V|Aizen Brilliant Acid Pure Blue VH|Alphazurine 2G|Amacid Blue V|Anhydro-4,4'-bis(diethylamino)triphenylmethanol-2',4''-disulphonic acid, monosodium salt|Blue URS|Blue VRS|Brilliant Acid Blue A Export|Brilliant Acid Blue V Extra|Brilliant Acid Blue VS|Brilliant Blue GS|Bucacid Patent Blue VF|C.I. Acid Blue 1|C.I. Acid Blue 1, sodium salt|C.I. Food Blue 3|Carmin Blue VS|Carmine Blue VF|Disulphen Blau|Disulphine Blue VN|Disulphine Blue VN 150|Disulphine VN|Edicol Supra Blue VR|EINECS 204-934-1|Erio Brilliant Blue V|Erioglaucine Supra|Ethanaminiu|220750-19-6|64366-33-2|66554-69-6|81604-53-7|856315-34-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026065 https://doi.org/10.22427/NTP-DATA-DTXSID3026065
ARPathway2016 ARPathway2016_766 C.I. Acid Blue 1, sodium salt 129-17-9 DTXSID3026065 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=C(C=C(C=C1)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Blue 1, sodium salt 129-17-9|C.I. Acid Blue 1, sodium salt|(4-(alpha-(4-Diethylaminophenyl)-2,4-disulfobenzyliden)-2,5-cyclohexadienylden)diethylammoniumhydroxid, inneres salz, natriumsalz|[4-[a-[p-(Diethylamino)phenyl]-2,4-disulfobenzylidene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydroxide, inner salt, sodium salt|4,4'-Di(diethylamino)-4',6'-disulphotriphenylmethanol anhydride, sodium salt|Acid Blue 1|Acid Blue V|Acid bright azure Z|Acid Brilliant Blue VF|Acid Brilliant Blue Z|Acid Brilliant Sky Blue Z|Acid Leather Blue V|Aizen Brilliant Acid Pure Blue VH|Alphazurine 2G|Amacid Blue V|Anhydro-4,4'-bis(diethylamino)triphenylmethanol-2',4''-disulphonic acid, monosodium salt|Blue URS|Blue VRS|Brilliant Acid Blue A Export|Brilliant Acid Blue V Extra|Brilliant Acid Blue VS|Brilliant Blue GS|Bucacid Patent Blue VF|C.I. Acid Blue 1|C.I. Acid Blue 1, sodium salt|C.I. Food Blue 3|Carmin Blue VS|Carmine Blue VF|Disulphen Blau|Disulphine Blue VN|Disulphine Blue VN 150|Disulphine VN|Edicol Supra Blue VR|EINECS 204-934-1|Erio Brilliant Blue V|Erioglaucine Supra|Ethanaminiu|220750-19-6|64366-33-2|66554-69-6|81604-53-7|856315-34-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026065 https://doi.org/10.22427/NTP-DATA-DTXSID3026065
ERPathway2016 ERPathway2016_604 C.I. Acid Blue 1, sodium salt 129-17-9 DTXSID3026065 A18 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=C(C=C(C=C1)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Blue 1, sodium salt 129-17-9|C.I. Acid Blue 1, sodium salt|(4-(alpha-(4-Diethylaminophenyl)-2,4-disulfobenzyliden)-2,5-cyclohexadienylden)diethylammoniumhydroxid, inneres salz, natriumsalz|[4-[a-[p-(Diethylamino)phenyl]-2,4-disulfobenzylidene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydroxide, inner salt, sodium salt|4,4'-Di(diethylamino)-4',6'-disulphotriphenylmethanol anhydride, sodium salt|Acid Blue 1|Acid Blue V|Acid bright azure Z|Acid Brilliant Blue VF|Acid Brilliant Blue Z|Acid Brilliant Sky Blue Z|Acid Leather Blue V|Aizen Brilliant Acid Pure Blue VH|Alphazurine 2G|Amacid Blue V|Anhydro-4,4'-bis(diethylamino)triphenylmethanol-2',4''-disulphonic acid, monosodium salt|Blue URS|Blue VRS|Brilliant Acid Blue A Export|Brilliant Acid Blue V Extra|Brilliant Acid Blue VS|Brilliant Blue GS|Bucacid Patent Blue VF|C.I. Acid Blue 1|C.I. Acid Blue 1, sodium salt|C.I. Food Blue 3|Carmin Blue VS|Carmine Blue VF|Disulphen Blau|Disulphine Blue VN|Disulphine Blue VN 150|Disulphine VN|Edicol Supra Blue VR|EINECS 204-934-1|Erio Brilliant Blue V|Erioglaucine Supra|Ethanaminiu|220750-19-6|64366-33-2|66554-69-6|81604-53-7|856315-34-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026065 https://doi.org/10.22427/NTP-DATA-DTXSID3026065
ERPathway2016 ERPathway2016_604 C.I. Acid Blue 1, sodium salt 129-17-9 DTXSID3026065 A18 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=C(C=C(C=C1)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Blue 1, sodium salt 129-17-9|C.I. Acid Blue 1, sodium salt|(4-(alpha-(4-Diethylaminophenyl)-2,4-disulfobenzyliden)-2,5-cyclohexadienylden)diethylammoniumhydroxid, inneres salz, natriumsalz|[4-[a-[p-(Diethylamino)phenyl]-2,4-disulfobenzylidene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydroxide, inner salt, sodium salt|4,4'-Di(diethylamino)-4',6'-disulphotriphenylmethanol anhydride, sodium salt|Acid Blue 1|Acid Blue V|Acid bright azure Z|Acid Brilliant Blue VF|Acid Brilliant Blue Z|Acid Brilliant Sky Blue Z|Acid Leather Blue V|Aizen Brilliant Acid Pure Blue VH|Alphazurine 2G|Amacid Blue V|Anhydro-4,4'-bis(diethylamino)triphenylmethanol-2',4''-disulphonic acid, monosodium salt|Blue URS|Blue VRS|Brilliant Acid Blue A Export|Brilliant Acid Blue V Extra|Brilliant Acid Blue VS|Brilliant Blue GS|Bucacid Patent Blue VF|C.I. Acid Blue 1|C.I. Acid Blue 1, sodium salt|C.I. Food Blue 3|Carmin Blue VS|Carmine Blue VF|Disulphen Blau|Disulphine Blue VN|Disulphine Blue VN 150|Disulphine VN|Edicol Supra Blue VR|EINECS 204-934-1|Erio Brilliant Blue V|Erioglaucine Supra|Ethanaminiu|220750-19-6|64366-33-2|66554-69-6|81604-53-7|856315-34-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026065 https://doi.org/10.22427/NTP-DATA-DTXSID3026065
ERPathway2016 ERPathway2016_604 C.I. Acid Blue 1, sodium salt 129-17-9 DTXSID3026065 A18 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=C(C=C(C=C1)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Blue 1, sodium salt 129-17-9|C.I. Acid Blue 1, sodium salt|(4-(alpha-(4-Diethylaminophenyl)-2,4-disulfobenzyliden)-2,5-cyclohexadienylden)diethylammoniumhydroxid, inneres salz, natriumsalz|[4-[a-[p-(Diethylamino)phenyl]-2,4-disulfobenzylidene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydroxide, inner salt, sodium salt|4,4'-Di(diethylamino)-4',6'-disulphotriphenylmethanol anhydride, sodium salt|Acid Blue 1|Acid Blue V|Acid bright azure Z|Acid Brilliant Blue VF|Acid Brilliant Blue Z|Acid Brilliant Sky Blue Z|Acid Leather Blue V|Aizen Brilliant Acid Pure Blue VH|Alphazurine 2G|Amacid Blue V|Anhydro-4,4'-bis(diethylamino)triphenylmethanol-2',4''-disulphonic acid, monosodium salt|Blue URS|Blue VRS|Brilliant Acid Blue A Export|Brilliant Acid Blue V Extra|Brilliant Acid Blue VS|Brilliant Blue GS|Bucacid Patent Blue VF|C.I. Acid Blue 1|C.I. Acid Blue 1, sodium salt|C.I. Food Blue 3|Carmin Blue VS|Carmine Blue VF|Disulphen Blau|Disulphine Blue VN|Disulphine Blue VN 150|Disulphine VN|Edicol Supra Blue VR|EINECS 204-934-1|Erio Brilliant Blue V|Erioglaucine Supra|Ethanaminiu|220750-19-6|64366-33-2|66554-69-6|81604-53-7|856315-34-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026065 https://doi.org/10.22427/NTP-DATA-DTXSID3026065
ERPathway2016 ERPathway2016_604 C.I. Acid Blue 1, sodium salt 129-17-9 DTXSID3026065 A18 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=C(C=C(C=C1)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Blue 1, sodium salt 129-17-9|C.I. Acid Blue 1, sodium salt|(4-(alpha-(4-Diethylaminophenyl)-2,4-disulfobenzyliden)-2,5-cyclohexadienylden)diethylammoniumhydroxid, inneres salz, natriumsalz|[4-[a-[p-(Diethylamino)phenyl]-2,4-disulfobenzylidene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydroxide, inner salt, sodium salt|4,4'-Di(diethylamino)-4',6'-disulphotriphenylmethanol anhydride, sodium salt|Acid Blue 1|Acid Blue V|Acid bright azure Z|Acid Brilliant Blue VF|Acid Brilliant Blue Z|Acid Brilliant Sky Blue Z|Acid Leather Blue V|Aizen Brilliant Acid Pure Blue VH|Alphazurine 2G|Amacid Blue V|Anhydro-4,4'-bis(diethylamino)triphenylmethanol-2',4''-disulphonic acid, monosodium salt|Blue URS|Blue VRS|Brilliant Acid Blue A Export|Brilliant Acid Blue V Extra|Brilliant Acid Blue VS|Brilliant Blue GS|Bucacid Patent Blue VF|C.I. Acid Blue 1|C.I. Acid Blue 1, sodium salt|C.I. Food Blue 3|Carmin Blue VS|Carmine Blue VF|Disulphen Blau|Disulphine Blue VN|Disulphine Blue VN 150|Disulphine VN|Edicol Supra Blue VR|EINECS 204-934-1|Erio Brilliant Blue V|Erioglaucine Supra|Ethanaminiu|220750-19-6|64366-33-2|66554-69-6|81604-53-7|856315-34-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026065 https://doi.org/10.22427/NTP-DATA-DTXSID3026065
ARPathway2016 ARPathway2016_1102 C.I. Acid Blue 22 28631-66-5 DTXSID9044904 1.0 R3 AR Pathway Model, Antagonist Model Score 0 Unitless C.I. Acid Blue 22 28631-66-5|C.I. Acid Blue 22|Acid Blue 2BN|Acid Blue 2R|Acid Blue 3B|Acid Blue 3R|Acid Blue B|Acid Blue R|Acid Blue S 2B|Acid Blue S 3R|Acid Blue SB|Acid Blue SGR|Acid Blue SR|Aniline Blue|Aniline blue water soluble|Benzenesulfonic acid, aminomethyl[[4-[(sulfophenyl) amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien -1-ylidene]methyl]-, disodium salt)|Benzenesulfonic acid, aminomethyl[[4-[(sulfophenyl)amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-, sodium salt (1:2)|C.I. 42755|Calcocid Blue 2R|Calcocid Blue 3B|Calcocid Blue B|Calcocid Blue R|Calcocid Ink Blue G|Calcocid Ink Blue R|China Blue|EINECS 249-113-9|Ink Blue A|Ink Blue CR|Ink Blue GS|Ink Blue RS|Marine Blue V|Mitsui Soluble Blue B|Mitsui Soluble Blue BNX|Modr Kysela 22|Modr Vodni|NSC 13988|Paper Acid Blue BC|Pure Soluble Blue 1811|Pure Soluble Blue 3B|Soluble Blue 2B|Soluble Blue 2R|Soluble Blue 3B|Soluble Blue 3M|Soluble Blue 3RPA|Soluble Blue B|Soluble Blue C 4B|Soluble Blue D 400|Soluble Blue G|Soluble Blue RS|Soluble Ink Blue G|Soluble Ink Blu|1324-47-6|29154-94-7|31227-61-9|31359-33-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044904
ARPathway2016 ARPathway2016_1102 C.I. Acid Blue 22 28631-66-5 DTXSID9044904 1.0 R3 AR Pathway Model, Agonist Model Score 0 Unitless C.I. Acid Blue 22 28631-66-5|C.I. Acid Blue 22|Acid Blue 2BN|Acid Blue 2R|Acid Blue 3B|Acid Blue 3R|Acid Blue B|Acid Blue R|Acid Blue S 2B|Acid Blue S 3R|Acid Blue SB|Acid Blue SGR|Acid Blue SR|Aniline Blue|Aniline blue water soluble|Benzenesulfonic acid, aminomethyl[[4-[(sulfophenyl) amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien -1-ylidene]methyl]-, disodium salt)|Benzenesulfonic acid, aminomethyl[[4-[(sulfophenyl)amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-, sodium salt (1:2)|C.I. 42755|Calcocid Blue 2R|Calcocid Blue 3B|Calcocid Blue B|Calcocid Blue R|Calcocid Ink Blue G|Calcocid Ink Blue R|China Blue|EINECS 249-113-9|Ink Blue A|Ink Blue CR|Ink Blue GS|Ink Blue RS|Marine Blue V|Mitsui Soluble Blue B|Mitsui Soluble Blue BNX|Modr Kysela 22|Modr Vodni|NSC 13988|Paper Acid Blue BC|Pure Soluble Blue 1811|Pure Soluble Blue 3B|Soluble Blue 2B|Soluble Blue 2R|Soluble Blue 3B|Soluble Blue 3M|Soluble Blue 3RPA|Soluble Blue B|Soluble Blue C 4B|Soluble Blue D 400|Soluble Blue G|Soluble Blue RS|Soluble Ink Blue G|Soluble Ink Blu|1324-47-6|29154-94-7|31227-61-9|31359-33-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044904
ARPathway2016 ARPathway2016_1102 C.I. Acid Blue 22 28631-66-5 DTXSID9044904 1.0 R3 AR Pathway Model, Agonist Call Inactive Unitless C.I. Acid Blue 22 28631-66-5|C.I. Acid Blue 22|Acid Blue 2BN|Acid Blue 2R|Acid Blue 3B|Acid Blue 3R|Acid Blue B|Acid Blue R|Acid Blue S 2B|Acid Blue S 3R|Acid Blue SB|Acid Blue SGR|Acid Blue SR|Aniline Blue|Aniline blue water soluble|Benzenesulfonic acid, aminomethyl[[4-[(sulfophenyl) amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien -1-ylidene]methyl]-, disodium salt)|Benzenesulfonic acid, aminomethyl[[4-[(sulfophenyl)amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-, sodium salt (1:2)|C.I. 42755|Calcocid Blue 2R|Calcocid Blue 3B|Calcocid Blue B|Calcocid Blue R|Calcocid Ink Blue G|Calcocid Ink Blue R|China Blue|EINECS 249-113-9|Ink Blue A|Ink Blue CR|Ink Blue GS|Ink Blue RS|Marine Blue V|Mitsui Soluble Blue B|Mitsui Soluble Blue BNX|Modr Kysela 22|Modr Vodni|NSC 13988|Paper Acid Blue BC|Pure Soluble Blue 1811|Pure Soluble Blue 3B|Soluble Blue 2B|Soluble Blue 2R|Soluble Blue 3B|Soluble Blue 3M|Soluble Blue 3RPA|Soluble Blue B|Soluble Blue C 4B|Soluble Blue D 400|Soluble Blue G|Soluble Blue RS|Soluble Ink Blue G|Soluble Ink Blu|1324-47-6|29154-94-7|31227-61-9|31359-33-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044904
ARPathway2016 ARPathway2016_1102 C.I. Acid Blue 22 28631-66-5 DTXSID9044904 1.0 R3 AR Pathway Model, Antagonist Call Inactive Unitless C.I. Acid Blue 22 28631-66-5|C.I. Acid Blue 22|Acid Blue 2BN|Acid Blue 2R|Acid Blue 3B|Acid Blue 3R|Acid Blue B|Acid Blue R|Acid Blue S 2B|Acid Blue S 3R|Acid Blue SB|Acid Blue SGR|Acid Blue SR|Aniline Blue|Aniline blue water soluble|Benzenesulfonic acid, aminomethyl[[4-[(sulfophenyl) amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien -1-ylidene]methyl]-, disodium salt)|Benzenesulfonic acid, aminomethyl[[4-[(sulfophenyl)amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-, sodium salt (1:2)|C.I. 42755|Calcocid Blue 2R|Calcocid Blue 3B|Calcocid Blue B|Calcocid Blue R|Calcocid Ink Blue G|Calcocid Ink Blue R|China Blue|EINECS 249-113-9|Ink Blue A|Ink Blue CR|Ink Blue GS|Ink Blue RS|Marine Blue V|Mitsui Soluble Blue B|Mitsui Soluble Blue BNX|Modr Kysela 22|Modr Vodni|NSC 13988|Paper Acid Blue BC|Pure Soluble Blue 1811|Pure Soluble Blue 3B|Soluble Blue 2B|Soluble Blue 2R|Soluble Blue 3B|Soluble Blue 3M|Soluble Blue 3RPA|Soluble Blue B|Soluble Blue C 4B|Soluble Blue D 400|Soluble Blue G|Soluble Blue RS|Soluble Ink Blue G|Soluble Ink Blu|1324-47-6|29154-94-7|31227-61-9|31359-33-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044904
ERPathway2016 ERPathway2016_1429 C.I. Acid Blue 22 28631-66-5 DTXSID9044904 ER Pathway Model, Agonist Model Score 0 Unitless C.I. Acid Blue 22 28631-66-5|C.I. Acid Blue 22|Acid Blue 2BN|Acid Blue 2R|Acid Blue 3B|Acid Blue 3R|Acid Blue B|Acid Blue R|Acid Blue S 2B|Acid Blue S 3R|Acid Blue SB|Acid Blue SGR|Acid Blue SR|Aniline Blue|Aniline blue water soluble|Benzenesulfonic acid, aminomethyl[[4-[(sulfophenyl) amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien -1-ylidene]methyl]-, disodium salt)|Benzenesulfonic acid, aminomethyl[[4-[(sulfophenyl)amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-, sodium salt (1:2)|C.I. 42755|Calcocid Blue 2R|Calcocid Blue 3B|Calcocid Blue B|Calcocid Blue R|Calcocid Ink Blue G|Calcocid Ink Blue R|China Blue|EINECS 249-113-9|Ink Blue A|Ink Blue CR|Ink Blue GS|Ink Blue RS|Marine Blue V|Mitsui Soluble Blue B|Mitsui Soluble Blue BNX|Modr Kysela 22|Modr Vodni|NSC 13988|Paper Acid Blue BC|Pure Soluble Blue 1811|Pure Soluble Blue 3B|Soluble Blue 2B|Soluble Blue 2R|Soluble Blue 3B|Soluble Blue 3M|Soluble Blue 3RPA|Soluble Blue B|Soluble Blue C 4B|Soluble Blue D 400|Soluble Blue G|Soluble Blue RS|Soluble Ink Blue G|Soluble Ink Blu|1324-47-6|29154-94-7|31227-61-9|31359-33-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044904
ERPathway2016 ERPathway2016_1429 C.I. Acid Blue 22 28631-66-5 DTXSID9044904 ER Pathway Model, Antagonist Model Score 0 Unitless C.I. Acid Blue 22 28631-66-5|C.I. Acid Blue 22|Acid Blue 2BN|Acid Blue 2R|Acid Blue 3B|Acid Blue 3R|Acid Blue B|Acid Blue R|Acid Blue S 2B|Acid Blue S 3R|Acid Blue SB|Acid Blue SGR|Acid Blue SR|Aniline Blue|Aniline blue water soluble|Benzenesulfonic acid, aminomethyl[[4-[(sulfophenyl) amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien -1-ylidene]methyl]-, disodium salt)|Benzenesulfonic acid, aminomethyl[[4-[(sulfophenyl)amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-, sodium salt (1:2)|C.I. 42755|Calcocid Blue 2R|Calcocid Blue 3B|Calcocid Blue B|Calcocid Blue R|Calcocid Ink Blue G|Calcocid Ink Blue R|China Blue|EINECS 249-113-9|Ink Blue A|Ink Blue CR|Ink Blue GS|Ink Blue RS|Marine Blue V|Mitsui Soluble Blue B|Mitsui Soluble Blue BNX|Modr Kysela 22|Modr Vodni|NSC 13988|Paper Acid Blue BC|Pure Soluble Blue 1811|Pure Soluble Blue 3B|Soluble Blue 2B|Soluble Blue 2R|Soluble Blue 3B|Soluble Blue 3M|Soluble Blue 3RPA|Soluble Blue B|Soluble Blue C 4B|Soluble Blue D 400|Soluble Blue G|Soluble Blue RS|Soluble Ink Blue G|Soluble Ink Blu|1324-47-6|29154-94-7|31227-61-9|31359-33-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044904
ERPathway2016 ERPathway2016_1429 C.I. Acid Blue 22 28631-66-5 DTXSID9044904 ER Pathway Model, Agonist Call Inactive Unitless C.I. Acid Blue 22 28631-66-5|C.I. Acid Blue 22|Acid Blue 2BN|Acid Blue 2R|Acid Blue 3B|Acid Blue 3R|Acid Blue B|Acid Blue R|Acid Blue S 2B|Acid Blue S 3R|Acid Blue SB|Acid Blue SGR|Acid Blue SR|Aniline Blue|Aniline blue water soluble|Benzenesulfonic acid, aminomethyl[[4-[(sulfophenyl) amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien -1-ylidene]methyl]-, disodium salt)|Benzenesulfonic acid, aminomethyl[[4-[(sulfophenyl)amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-, sodium salt (1:2)|C.I. 42755|Calcocid Blue 2R|Calcocid Blue 3B|Calcocid Blue B|Calcocid Blue R|Calcocid Ink Blue G|Calcocid Ink Blue R|China Blue|EINECS 249-113-9|Ink Blue A|Ink Blue CR|Ink Blue GS|Ink Blue RS|Marine Blue V|Mitsui Soluble Blue B|Mitsui Soluble Blue BNX|Modr Kysela 22|Modr Vodni|NSC 13988|Paper Acid Blue BC|Pure Soluble Blue 1811|Pure Soluble Blue 3B|Soluble Blue 2B|Soluble Blue 2R|Soluble Blue 3B|Soluble Blue 3M|Soluble Blue 3RPA|Soluble Blue B|Soluble Blue C 4B|Soluble Blue D 400|Soluble Blue G|Soluble Blue RS|Soluble Ink Blue G|Soluble Ink Blu|1324-47-6|29154-94-7|31227-61-9|31359-33-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044904
ERPathway2016 ERPathway2016_1429 C.I. Acid Blue 22 28631-66-5 DTXSID9044904 ER Pathway Model, Antagonist Call Inactive Unitless C.I. Acid Blue 22 28631-66-5|C.I. Acid Blue 22|Acid Blue 2BN|Acid Blue 2R|Acid Blue 3B|Acid Blue 3R|Acid Blue B|Acid Blue R|Acid Blue S 2B|Acid Blue S 3R|Acid Blue SB|Acid Blue SGR|Acid Blue SR|Aniline Blue|Aniline blue water soluble|Benzenesulfonic acid, aminomethyl[[4-[(sulfophenyl) amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien -1-ylidene]methyl]-, disodium salt)|Benzenesulfonic acid, aminomethyl[[4-[(sulfophenyl)amino]phenyl][4-[(sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-, sodium salt (1:2)|C.I. 42755|Calcocid Blue 2R|Calcocid Blue 3B|Calcocid Blue B|Calcocid Blue R|Calcocid Ink Blue G|Calcocid Ink Blue R|China Blue|EINECS 249-113-9|Ink Blue A|Ink Blue CR|Ink Blue GS|Ink Blue RS|Marine Blue V|Mitsui Soluble Blue B|Mitsui Soluble Blue BNX|Modr Kysela 22|Modr Vodni|NSC 13988|Paper Acid Blue BC|Pure Soluble Blue 1811|Pure Soluble Blue 3B|Soluble Blue 2B|Soluble Blue 2R|Soluble Blue 3B|Soluble Blue 3M|Soluble Blue 3RPA|Soluble Blue B|Soluble Blue C 4B|Soluble Blue D 400|Soluble Blue G|Soluble Blue RS|Soluble Ink Blue G|Soluble Ink Blu|1324-47-6|29154-94-7|31227-61-9|31359-33-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044904
ARPathway2016 ARPathway2016_1650 C.I. Acid Blue 74 860-22-0 DTXSID1020190 1.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C2NC(C(=O)C2=C1)=C1NC2=CC=C(C=C2C1=O)S([O-])(=O)=O C.I. Acid Blue 74 860-22-0|C.I. Acid Blue 74|(delta2,2'-Biindoline)-5,5'-disulfonic acid, 3,3'-dioxo-, disodium salt|[D2,2'-Biindoline]-5,5'-disulfonic acid, 3,3'-dioxo-, disodium salt|12070 Blue|1311 Blue|1h-Indol-5-acido sulfonico, 2-(1,3-dihidro-3-oxo-5-sulfo-2H-indol-2-iliden) -2,3-dihidro-3-oxo-, sal de sodio (1:2)|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2h-indol-2-ylidene)-2,3-dihydro-3-oxo-, disodium salt|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, sodium salt (1:2)|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo, disodium salt|2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-Indole-5-sulfonic acid disodium salt|212-728-8|5,5'-(2-(1,3-dihidro-3-oxo-2H-indazol-2-ilideno)-1,2-dihidro-3H-indol-3-ona)disulfonato de disodio|5,5'-(2-(1,3-Dihydro-3-oxo-2H-indazol-2-ylidene)-1,2-dihydro-3H-indol-3-one)disulfonate de disodium|5,5'-(2-(1,3-dihydro-3-oxo-2H-indazole-2-ylidene)-1,2-dihydro-3H-indole-3-one)disulfonate de diso https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020190 https://doi.org/10.22427/NTP-DATA-DTXSID1020190
ARPathway2016 ARPathway2016_1650 C.I. Acid Blue 74 860-22-0 DTXSID1020190 1.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C2NC(C(=O)C2=C1)=C1NC2=CC=C(C=C2C1=O)S([O-])(=O)=O C.I. Acid Blue 74 860-22-0|C.I. Acid Blue 74|(delta2,2'-Biindoline)-5,5'-disulfonic acid, 3,3'-dioxo-, disodium salt|[D2,2'-Biindoline]-5,5'-disulfonic acid, 3,3'-dioxo-, disodium salt|12070 Blue|1311 Blue|1h-Indol-5-acido sulfonico, 2-(1,3-dihidro-3-oxo-5-sulfo-2H-indol-2-iliden) -2,3-dihidro-3-oxo-, sal de sodio (1:2)|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2h-indol-2-ylidene)-2,3-dihydro-3-oxo-, disodium salt|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, sodium salt (1:2)|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo, disodium salt|2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-Indole-5-sulfonic acid disodium salt|212-728-8|5,5'-(2-(1,3-dihidro-3-oxo-2H-indazol-2-ilideno)-1,2-dihidro-3H-indol-3-ona)disulfonato de disodio|5,5'-(2-(1,3-Dihydro-3-oxo-2H-indazol-2-ylidene)-1,2-dihydro-3H-indol-3-one)disulfonate de disodium|5,5'-(2-(1,3-dihydro-3-oxo-2H-indazole-2-ylidene)-1,2-dihydro-3H-indole-3-one)disulfonate de diso https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020190 https://doi.org/10.22427/NTP-DATA-DTXSID1020190
ARPathway2016 ARPathway2016_1650 C.I. Acid Blue 74 860-22-0 DTXSID1020190 1.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C2NC(C(=O)C2=C1)=C1NC2=CC=C(C=C2C1=O)S([O-])(=O)=O C.I. Acid Blue 74 860-22-0|C.I. Acid Blue 74|(delta2,2'-Biindoline)-5,5'-disulfonic acid, 3,3'-dioxo-, disodium salt|[D2,2'-Biindoline]-5,5'-disulfonic acid, 3,3'-dioxo-, disodium salt|12070 Blue|1311 Blue|1h-Indol-5-acido sulfonico, 2-(1,3-dihidro-3-oxo-5-sulfo-2H-indol-2-iliden) -2,3-dihidro-3-oxo-, sal de sodio (1:2)|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2h-indol-2-ylidene)-2,3-dihydro-3-oxo-, disodium salt|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, sodium salt (1:2)|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo, disodium salt|2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-Indole-5-sulfonic acid disodium salt|212-728-8|5,5'-(2-(1,3-dihidro-3-oxo-2H-indazol-2-ilideno)-1,2-dihidro-3H-indol-3-ona)disulfonato de disodio|5,5'-(2-(1,3-Dihydro-3-oxo-2H-indazol-2-ylidene)-1,2-dihydro-3H-indol-3-one)disulfonate de disodium|5,5'-(2-(1,3-dihydro-3-oxo-2H-indazole-2-ylidene)-1,2-dihydro-3H-indole-3-one)disulfonate de diso https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020190 https://doi.org/10.22427/NTP-DATA-DTXSID1020190
ARPathway2016 ARPathway2016_1650 C.I. Acid Blue 74 860-22-0 DTXSID1020190 1.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C2NC(C(=O)C2=C1)=C1NC2=CC=C(C=C2C1=O)S([O-])(=O)=O C.I. Acid Blue 74 860-22-0|C.I. Acid Blue 74|(delta2,2'-Biindoline)-5,5'-disulfonic acid, 3,3'-dioxo-, disodium salt|[D2,2'-Biindoline]-5,5'-disulfonic acid, 3,3'-dioxo-, disodium salt|12070 Blue|1311 Blue|1h-Indol-5-acido sulfonico, 2-(1,3-dihidro-3-oxo-5-sulfo-2H-indol-2-iliden) -2,3-dihidro-3-oxo-, sal de sodio (1:2)|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2h-indol-2-ylidene)-2,3-dihydro-3-oxo-, disodium salt|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, sodium salt (1:2)|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo, disodium salt|2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-Indole-5-sulfonic acid disodium salt|212-728-8|5,5'-(2-(1,3-dihidro-3-oxo-2H-indazol-2-ilideno)-1,2-dihidro-3H-indol-3-ona)disulfonato de disodio|5,5'-(2-(1,3-Dihydro-3-oxo-2H-indazol-2-ylidene)-1,2-dihydro-3H-indol-3-one)disulfonate de disodium|5,5'-(2-(1,3-dihydro-3-oxo-2H-indazole-2-ylidene)-1,2-dihydro-3H-indole-3-one)disulfonate de diso https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020190 https://doi.org/10.22427/NTP-DATA-DTXSID1020190
ERPathway2016 ERPathway2016_1707 C.I. Acid Blue 74 860-22-0 DTXSID1020190 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C2NC(C(=O)C2=C1)=C1NC2=CC=C(C=C2C1=O)S([O-])(=O)=O C.I. Acid Blue 74 860-22-0|C.I. Acid Blue 74|(delta2,2'-Biindoline)-5,5'-disulfonic acid, 3,3'-dioxo-, disodium salt|[D2,2'-Biindoline]-5,5'-disulfonic acid, 3,3'-dioxo-, disodium salt|12070 Blue|1311 Blue|1h-Indol-5-acido sulfonico, 2-(1,3-dihidro-3-oxo-5-sulfo-2H-indol-2-iliden) -2,3-dihidro-3-oxo-, sal de sodio (1:2)|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2h-indol-2-ylidene)-2,3-dihydro-3-oxo-, disodium salt|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, sodium salt (1:2)|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo, disodium salt|2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-Indole-5-sulfonic acid disodium salt|212-728-8|5,5'-(2-(1,3-dihidro-3-oxo-2H-indazol-2-ilideno)-1,2-dihidro-3H-indol-3-ona)disulfonato de disodio|5,5'-(2-(1,3-Dihydro-3-oxo-2H-indazol-2-ylidene)-1,2-dihydro-3H-indol-3-one)disulfonate de disodium|5,5'-(2-(1,3-dihydro-3-oxo-2H-indazole-2-ylidene)-1,2-dihydro-3H-indole-3-one)disulfonate de diso https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020190 https://doi.org/10.22427/NTP-DATA-DTXSID1020190
ERPathway2016 ERPathway2016_1707 C.I. Acid Blue 74 860-22-0 DTXSID1020190 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C2NC(C(=O)C2=C1)=C1NC2=CC=C(C=C2C1=O)S([O-])(=O)=O C.I. Acid Blue 74 860-22-0|C.I. Acid Blue 74|(delta2,2'-Biindoline)-5,5'-disulfonic acid, 3,3'-dioxo-, disodium salt|[D2,2'-Biindoline]-5,5'-disulfonic acid, 3,3'-dioxo-, disodium salt|12070 Blue|1311 Blue|1h-Indol-5-acido sulfonico, 2-(1,3-dihidro-3-oxo-5-sulfo-2H-indol-2-iliden) -2,3-dihidro-3-oxo-, sal de sodio (1:2)|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2h-indol-2-ylidene)-2,3-dihydro-3-oxo-, disodium salt|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, sodium salt (1:2)|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo, disodium salt|2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-Indole-5-sulfonic acid disodium salt|212-728-8|5,5'-(2-(1,3-dihidro-3-oxo-2H-indazol-2-ilideno)-1,2-dihidro-3H-indol-3-ona)disulfonato de disodio|5,5'-(2-(1,3-Dihydro-3-oxo-2H-indazol-2-ylidene)-1,2-dihydro-3H-indol-3-one)disulfonate de disodium|5,5'-(2-(1,3-dihydro-3-oxo-2H-indazole-2-ylidene)-1,2-dihydro-3H-indole-3-one)disulfonate de diso https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020190 https://doi.org/10.22427/NTP-DATA-DTXSID1020190
ERPathway2016 ERPathway2016_1707 C.I. Acid Blue 74 860-22-0 DTXSID1020190 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C2NC(C(=O)C2=C1)=C1NC2=CC=C(C=C2C1=O)S([O-])(=O)=O C.I. Acid Blue 74 860-22-0|C.I. Acid Blue 74|(delta2,2'-Biindoline)-5,5'-disulfonic acid, 3,3'-dioxo-, disodium salt|[D2,2'-Biindoline]-5,5'-disulfonic acid, 3,3'-dioxo-, disodium salt|12070 Blue|1311 Blue|1h-Indol-5-acido sulfonico, 2-(1,3-dihidro-3-oxo-5-sulfo-2H-indol-2-iliden) -2,3-dihidro-3-oxo-, sal de sodio (1:2)|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2h-indol-2-ylidene)-2,3-dihydro-3-oxo-, disodium salt|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, sodium salt (1:2)|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo, disodium salt|2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-Indole-5-sulfonic acid disodium salt|212-728-8|5,5'-(2-(1,3-dihidro-3-oxo-2H-indazol-2-ilideno)-1,2-dihidro-3H-indol-3-ona)disulfonato de disodio|5,5'-(2-(1,3-Dihydro-3-oxo-2H-indazol-2-ylidene)-1,2-dihydro-3H-indol-3-one)disulfonate de disodium|5,5'-(2-(1,3-dihydro-3-oxo-2H-indazole-2-ylidene)-1,2-dihydro-3H-indole-3-one)disulfonate de diso https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020190 https://doi.org/10.22427/NTP-DATA-DTXSID1020190
ERPathway2016 ERPathway2016_1707 C.I. Acid Blue 74 860-22-0 DTXSID1020190 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C2NC(C(=O)C2=C1)=C1NC2=CC=C(C=C2C1=O)S([O-])(=O)=O C.I. Acid Blue 74 860-22-0|C.I. Acid Blue 74|(delta2,2'-Biindoline)-5,5'-disulfonic acid, 3,3'-dioxo-, disodium salt|[D2,2'-Biindoline]-5,5'-disulfonic acid, 3,3'-dioxo-, disodium salt|12070 Blue|1311 Blue|1h-Indol-5-acido sulfonico, 2-(1,3-dihidro-3-oxo-5-sulfo-2H-indol-2-iliden) -2,3-dihidro-3-oxo-, sal de sodio (1:2)|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2h-indol-2-ylidene)-2,3-dihydro-3-oxo-, disodium salt|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, sodium salt (1:2)|1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo, disodium salt|2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-Indole-5-sulfonic acid disodium salt|212-728-8|5,5'-(2-(1,3-dihidro-3-oxo-2H-indazol-2-ilideno)-1,2-dihidro-3H-indol-3-ona)disulfonato de disodio|5,5'-(2-(1,3-Dihydro-3-oxo-2H-indazol-2-ylidene)-1,2-dihydro-3H-indol-3-one)disulfonate de disodium|5,5'-(2-(1,3-dihydro-3-oxo-2H-indazole-2-ylidene)-1,2-dihydro-3H-indole-3-one)disulfonate de diso https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020190 https://doi.org/10.22427/NTP-DATA-DTXSID1020190
ARPathway2016 ARPathway2016_967 C.I. Acid Orange 10 1936-15-8 DTXSID6021082 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].OC1=C(N=NC2=CC=CC=C2)C2=C(C=C(C=C2C=C1)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Orange 10 1936-15-8|C.I. Acid Orange 10|1-Phenylazo-2-naphthol-6,8-disulfonic acid, disodium salt|1-Phenylazo-2-naphthol-6,8-disulphonic acid, disodium salt|1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-phenyldiazenyl)-, sodium salt (1:2)|1370 Orange|2-Hydroxy-1-phenylazo-6,8-naphthalenedisulfonic acid, disodium salt|7-Hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid, disodium salt|7-Hydroxy-8-(phenylazo)-1,3-naphthalenedisulphonic acid, disodium salt|Acid Fast Orange EGG|Acid Fast Orange G|Acid Leather Orange KG|Acid Leather Orange PGW|Acid Light Orange G|Acid Light Orange J|Acid Light Orange JA Export|Acid Light Orange SX|Acid Lightfast Orange|acid orange 10|Acid Orange 2G|Acid Orange G|Acid Orange GG|Acid Orange Lightfast|Acidal Fast Orange|Acilan Orange GX|Amacid Crystal Orange|Apocid Orange 2G|Atul Acid Crystal Orange G|Brasilan Orange 2G|Bucacid Fast Orange G|C.I. 16230|C.I. Acid Orange 10, disodium salt|C.I. Acid Orange No. 10|C.I. Food Orange 4|C.I. Orange G|Calcocid Fast Light Orange 2G|Certicol Orange GS|Cetil Light Orange GG|Colacid|53988-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021082 https://doi.org/10.22427/NTP-DATA-DTXSID6021082
ARPathway2016 ARPathway2016_967 C.I. Acid Orange 10 1936-15-8 DTXSID6021082 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].OC1=C(N=NC2=CC=CC=C2)C2=C(C=C(C=C2C=C1)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Orange 10 1936-15-8|C.I. Acid Orange 10|1-Phenylazo-2-naphthol-6,8-disulfonic acid, disodium salt|1-Phenylazo-2-naphthol-6,8-disulphonic acid, disodium salt|1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-phenyldiazenyl)-, sodium salt (1:2)|1370 Orange|2-Hydroxy-1-phenylazo-6,8-naphthalenedisulfonic acid, disodium salt|7-Hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid, disodium salt|7-Hydroxy-8-(phenylazo)-1,3-naphthalenedisulphonic acid, disodium salt|Acid Fast Orange EGG|Acid Fast Orange G|Acid Leather Orange KG|Acid Leather Orange PGW|Acid Light Orange G|Acid Light Orange J|Acid Light Orange JA Export|Acid Light Orange SX|Acid Lightfast Orange|acid orange 10|Acid Orange 2G|Acid Orange G|Acid Orange GG|Acid Orange Lightfast|Acidal Fast Orange|Acilan Orange GX|Amacid Crystal Orange|Apocid Orange 2G|Atul Acid Crystal Orange G|Brasilan Orange 2G|Bucacid Fast Orange G|C.I. 16230|C.I. Acid Orange 10, disodium salt|C.I. Acid Orange No. 10|C.I. Food Orange 4|C.I. Orange G|Calcocid Fast Light Orange 2G|Certicol Orange GS|Cetil Light Orange GG|Colacid|53988-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021082 https://doi.org/10.22427/NTP-DATA-DTXSID6021082
ARPathway2016 ARPathway2016_967 C.I. Acid Orange 10 1936-15-8 DTXSID6021082 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].OC1=C(N=NC2=CC=CC=C2)C2=C(C=C(C=C2C=C1)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Orange 10 1936-15-8|C.I. Acid Orange 10|1-Phenylazo-2-naphthol-6,8-disulfonic acid, disodium salt|1-Phenylazo-2-naphthol-6,8-disulphonic acid, disodium salt|1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-phenyldiazenyl)-, sodium salt (1:2)|1370 Orange|2-Hydroxy-1-phenylazo-6,8-naphthalenedisulfonic acid, disodium salt|7-Hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid, disodium salt|7-Hydroxy-8-(phenylazo)-1,3-naphthalenedisulphonic acid, disodium salt|Acid Fast Orange EGG|Acid Fast Orange G|Acid Leather Orange KG|Acid Leather Orange PGW|Acid Light Orange G|Acid Light Orange J|Acid Light Orange JA Export|Acid Light Orange SX|Acid Lightfast Orange|acid orange 10|Acid Orange 2G|Acid Orange G|Acid Orange GG|Acid Orange Lightfast|Acidal Fast Orange|Acilan Orange GX|Amacid Crystal Orange|Apocid Orange 2G|Atul Acid Crystal Orange G|Brasilan Orange 2G|Bucacid Fast Orange G|C.I. 16230|C.I. Acid Orange 10, disodium salt|C.I. Acid Orange No. 10|C.I. Food Orange 4|C.I. Orange G|Calcocid Fast Light Orange 2G|Certicol Orange GS|Cetil Light Orange GG|Colacid|53988-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021082 https://doi.org/10.22427/NTP-DATA-DTXSID6021082
ARPathway2016 ARPathway2016_967 C.I. Acid Orange 10 1936-15-8 DTXSID6021082 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].OC1=C(N=NC2=CC=CC=C2)C2=C(C=C(C=C2C=C1)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Orange 10 1936-15-8|C.I. Acid Orange 10|1-Phenylazo-2-naphthol-6,8-disulfonic acid, disodium salt|1-Phenylazo-2-naphthol-6,8-disulphonic acid, disodium salt|1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-phenyldiazenyl)-, sodium salt (1:2)|1370 Orange|2-Hydroxy-1-phenylazo-6,8-naphthalenedisulfonic acid, disodium salt|7-Hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid, disodium salt|7-Hydroxy-8-(phenylazo)-1,3-naphthalenedisulphonic acid, disodium salt|Acid Fast Orange EGG|Acid Fast Orange G|Acid Leather Orange KG|Acid Leather Orange PGW|Acid Light Orange G|Acid Light Orange J|Acid Light Orange JA Export|Acid Light Orange SX|Acid Lightfast Orange|acid orange 10|Acid Orange 2G|Acid Orange G|Acid Orange GG|Acid Orange Lightfast|Acidal Fast Orange|Acilan Orange GX|Amacid Crystal Orange|Apocid Orange 2G|Atul Acid Crystal Orange G|Brasilan Orange 2G|Bucacid Fast Orange G|C.I. 16230|C.I. Acid Orange 10, disodium salt|C.I. Acid Orange No. 10|C.I. Food Orange 4|C.I. Orange G|Calcocid Fast Light Orange 2G|Certicol Orange GS|Cetil Light Orange GG|Colacid|53988-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021082 https://doi.org/10.22427/NTP-DATA-DTXSID6021082
ERPathway2016 ERPathway2016_1365 C.I. Acid Orange 10 1936-15-8 DTXSID6021082 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].OC1=C(N=NC2=CC=CC=C2)C2=C(C=C(C=C2C=C1)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Orange 10 1936-15-8|C.I. Acid Orange 10|1-Phenylazo-2-naphthol-6,8-disulfonic acid, disodium salt|1-Phenylazo-2-naphthol-6,8-disulphonic acid, disodium salt|1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-phenyldiazenyl)-, sodium salt (1:2)|1370 Orange|2-Hydroxy-1-phenylazo-6,8-naphthalenedisulfonic acid, disodium salt|7-Hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid, disodium salt|7-Hydroxy-8-(phenylazo)-1,3-naphthalenedisulphonic acid, disodium salt|Acid Fast Orange EGG|Acid Fast Orange G|Acid Leather Orange KG|Acid Leather Orange PGW|Acid Light Orange G|Acid Light Orange J|Acid Light Orange JA Export|Acid Light Orange SX|Acid Lightfast Orange|acid orange 10|Acid Orange 2G|Acid Orange G|Acid Orange GG|Acid Orange Lightfast|Acidal Fast Orange|Acilan Orange GX|Amacid Crystal Orange|Apocid Orange 2G|Atul Acid Crystal Orange G|Brasilan Orange 2G|Bucacid Fast Orange G|C.I. 16230|C.I. Acid Orange 10, disodium salt|C.I. Acid Orange No. 10|C.I. Food Orange 4|C.I. Orange G|Calcocid Fast Light Orange 2G|Certicol Orange GS|Cetil Light Orange GG|Colacid|53988-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021082 https://doi.org/10.22427/NTP-DATA-DTXSID6021082
ERPathway2016 ERPathway2016_1365 C.I. Acid Orange 10 1936-15-8 DTXSID6021082 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].OC1=C(N=NC2=CC=CC=C2)C2=C(C=C(C=C2C=C1)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Orange 10 1936-15-8|C.I. Acid Orange 10|1-Phenylazo-2-naphthol-6,8-disulfonic acid, disodium salt|1-Phenylazo-2-naphthol-6,8-disulphonic acid, disodium salt|1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-phenyldiazenyl)-, sodium salt (1:2)|1370 Orange|2-Hydroxy-1-phenylazo-6,8-naphthalenedisulfonic acid, disodium salt|7-Hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid, disodium salt|7-Hydroxy-8-(phenylazo)-1,3-naphthalenedisulphonic acid, disodium salt|Acid Fast Orange EGG|Acid Fast Orange G|Acid Leather Orange KG|Acid Leather Orange PGW|Acid Light Orange G|Acid Light Orange J|Acid Light Orange JA Export|Acid Light Orange SX|Acid Lightfast Orange|acid orange 10|Acid Orange 2G|Acid Orange G|Acid Orange GG|Acid Orange Lightfast|Acidal Fast Orange|Acilan Orange GX|Amacid Crystal Orange|Apocid Orange 2G|Atul Acid Crystal Orange G|Brasilan Orange 2G|Bucacid Fast Orange G|C.I. 16230|C.I. Acid Orange 10, disodium salt|C.I. Acid Orange No. 10|C.I. Food Orange 4|C.I. Orange G|Calcocid Fast Light Orange 2G|Certicol Orange GS|Cetil Light Orange GG|Colacid|53988-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021082 https://doi.org/10.22427/NTP-DATA-DTXSID6021082
ERPathway2016 ERPathway2016_1365 C.I. Acid Orange 10 1936-15-8 DTXSID6021082 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].OC1=C(N=NC2=CC=CC=C2)C2=C(C=C(C=C2C=C1)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Orange 10 1936-15-8|C.I. Acid Orange 10|1-Phenylazo-2-naphthol-6,8-disulfonic acid, disodium salt|1-Phenylazo-2-naphthol-6,8-disulphonic acid, disodium salt|1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-phenyldiazenyl)-, sodium salt (1:2)|1370 Orange|2-Hydroxy-1-phenylazo-6,8-naphthalenedisulfonic acid, disodium salt|7-Hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid, disodium salt|7-Hydroxy-8-(phenylazo)-1,3-naphthalenedisulphonic acid, disodium salt|Acid Fast Orange EGG|Acid Fast Orange G|Acid Leather Orange KG|Acid Leather Orange PGW|Acid Light Orange G|Acid Light Orange J|Acid Light Orange JA Export|Acid Light Orange SX|Acid Lightfast Orange|acid orange 10|Acid Orange 2G|Acid Orange G|Acid Orange GG|Acid Orange Lightfast|Acidal Fast Orange|Acilan Orange GX|Amacid Crystal Orange|Apocid Orange 2G|Atul Acid Crystal Orange G|Brasilan Orange 2G|Bucacid Fast Orange G|C.I. 16230|C.I. Acid Orange 10, disodium salt|C.I. Acid Orange No. 10|C.I. Food Orange 4|C.I. Orange G|Calcocid Fast Light Orange 2G|Certicol Orange GS|Cetil Light Orange GG|Colacid|53988-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021082 https://doi.org/10.22427/NTP-DATA-DTXSID6021082
ERPathway2016 ERPathway2016_1365 C.I. Acid Orange 10 1936-15-8 DTXSID6021082 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].OC1=C(N=NC2=CC=CC=C2)C2=C(C=C(C=C2C=C1)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Orange 10 1936-15-8|C.I. Acid Orange 10|1-Phenylazo-2-naphthol-6,8-disulfonic acid, disodium salt|1-Phenylazo-2-naphthol-6,8-disulphonic acid, disodium salt|1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-phenyldiazenyl)-, sodium salt (1:2)|1370 Orange|2-Hydroxy-1-phenylazo-6,8-naphthalenedisulfonic acid, disodium salt|7-Hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid, disodium salt|7-Hydroxy-8-(phenylazo)-1,3-naphthalenedisulphonic acid, disodium salt|Acid Fast Orange EGG|Acid Fast Orange G|Acid Leather Orange KG|Acid Leather Orange PGW|Acid Light Orange G|Acid Light Orange J|Acid Light Orange JA Export|Acid Light Orange SX|Acid Lightfast Orange|acid orange 10|Acid Orange 2G|Acid Orange G|Acid Orange GG|Acid Orange Lightfast|Acidal Fast Orange|Acilan Orange GX|Amacid Crystal Orange|Apocid Orange 2G|Atul Acid Crystal Orange G|Brasilan Orange 2G|Bucacid Fast Orange G|C.I. 16230|C.I. Acid Orange 10, disodium salt|C.I. Acid Orange No. 10|C.I. Food Orange 4|C.I. Orange G|Calcocid Fast Light Orange 2G|Certicol Orange GS|Cetil Light Orange GG|Colacid|53988-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021082 https://doi.org/10.22427/NTP-DATA-DTXSID6021082
ARPathway2016 ARPathway2016_1488 C.I. Acid Orange 156 68555-86-2 DTXSID7044718 0.0 R3 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].COC1=CC=C(C=C1)N=NC1=C(OC)C=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(C)=C1 C.I. Acid Orange 156 68555-86-2|C.I. Acid Orange 156|4-((5-Methoxy-4-((4-methoxyphenyl)azo)-2-methylphenyl)azo)benzenesulfonic acid, sodium salt|Acid Orange 156|Benzenesulfonic acid, 4-[[5-methoxy-4-[(4-methoxyphenyl)azo]-2-methylphenyl]azo]-, sodium salt|Benzenesulfonic acid, 4-[2-[5-methoxy-4-[2-(4-methoxyphenyl)diazenyl]-2-methylphenyl]diazenyl]-, sodium salt (1:1)|C.I. 26501|EINECS 271-462-0|Sodium 4-((5-methoxy-4-((4-methoxyphenyl)azo)-2-methylphenyl)azo)benzenesulphonate|72827-75-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044718
ARPathway2016 ARPathway2016_1488 C.I. Acid Orange 156 68555-86-2 DTXSID7044718 0.0 R3 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].COC1=CC=C(C=C1)N=NC1=C(OC)C=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(C)=C1 C.I. Acid Orange 156 68555-86-2|C.I. Acid Orange 156|4-((5-Methoxy-4-((4-methoxyphenyl)azo)-2-methylphenyl)azo)benzenesulfonic acid, sodium salt|Acid Orange 156|Benzenesulfonic acid, 4-[[5-methoxy-4-[(4-methoxyphenyl)azo]-2-methylphenyl]azo]-, sodium salt|Benzenesulfonic acid, 4-[2-[5-methoxy-4-[2-(4-methoxyphenyl)diazenyl]-2-methylphenyl]diazenyl]-, sodium salt (1:1)|C.I. 26501|EINECS 271-462-0|Sodium 4-((5-methoxy-4-((4-methoxyphenyl)azo)-2-methylphenyl)azo)benzenesulphonate|72827-75-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044718
ARPathway2016 ARPathway2016_1488 C.I. Acid Orange 156 68555-86-2 DTXSID7044718 0.0 R3 AR Pathway Model, Agonist Call Inactive Unitless [Na+].COC1=CC=C(C=C1)N=NC1=C(OC)C=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(C)=C1 C.I. Acid Orange 156 68555-86-2|C.I. Acid Orange 156|4-((5-Methoxy-4-((4-methoxyphenyl)azo)-2-methylphenyl)azo)benzenesulfonic acid, sodium salt|Acid Orange 156|Benzenesulfonic acid, 4-[[5-methoxy-4-[(4-methoxyphenyl)azo]-2-methylphenyl]azo]-, sodium salt|Benzenesulfonic acid, 4-[2-[5-methoxy-4-[2-(4-methoxyphenyl)diazenyl]-2-methylphenyl]diazenyl]-, sodium salt (1:1)|C.I. 26501|EINECS 271-462-0|Sodium 4-((5-methoxy-4-((4-methoxyphenyl)azo)-2-methylphenyl)azo)benzenesulphonate|72827-75-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044718
ARPathway2016 ARPathway2016_1488 C.I. Acid Orange 156 68555-86-2 DTXSID7044718 0.0 R3 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].COC1=CC=C(C=C1)N=NC1=C(OC)C=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(C)=C1 C.I. Acid Orange 156 68555-86-2|C.I. Acid Orange 156|4-((5-Methoxy-4-((4-methoxyphenyl)azo)-2-methylphenyl)azo)benzenesulfonic acid, sodium salt|Acid Orange 156|Benzenesulfonic acid, 4-[[5-methoxy-4-[(4-methoxyphenyl)azo]-2-methylphenyl]azo]-, sodium salt|Benzenesulfonic acid, 4-[2-[5-methoxy-4-[2-(4-methoxyphenyl)diazenyl]-2-methylphenyl]diazenyl]-, sodium salt (1:1)|C.I. 26501|EINECS 271-462-0|Sodium 4-((5-methoxy-4-((4-methoxyphenyl)azo)-2-methylphenyl)azo)benzenesulphonate|72827-75-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044718
ERPathway2016 ERPathway2016_794 C.I. Acid Orange 156 68555-86-2 DTXSID7044718 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].COC1=CC=C(C=C1)N=NC1=C(OC)C=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(C)=C1 C.I. Acid Orange 156 68555-86-2|C.I. Acid Orange 156|4-((5-Methoxy-4-((4-methoxyphenyl)azo)-2-methylphenyl)azo)benzenesulfonic acid, sodium salt|Acid Orange 156|Benzenesulfonic acid, 4-[[5-methoxy-4-[(4-methoxyphenyl)azo]-2-methylphenyl]azo]-, sodium salt|Benzenesulfonic acid, 4-[2-[5-methoxy-4-[2-(4-methoxyphenyl)diazenyl]-2-methylphenyl]diazenyl]-, sodium salt (1:1)|C.I. 26501|EINECS 271-462-0|Sodium 4-((5-methoxy-4-((4-methoxyphenyl)azo)-2-methylphenyl)azo)benzenesulphonate|72827-75-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044718
ERPathway2016 ERPathway2016_794 C.I. Acid Orange 156 68555-86-2 DTXSID7044718 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].COC1=CC=C(C=C1)N=NC1=C(OC)C=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(C)=C1 C.I. Acid Orange 156 68555-86-2|C.I. Acid Orange 156|4-((5-Methoxy-4-((4-methoxyphenyl)azo)-2-methylphenyl)azo)benzenesulfonic acid, sodium salt|Acid Orange 156|Benzenesulfonic acid, 4-[[5-methoxy-4-[(4-methoxyphenyl)azo]-2-methylphenyl]azo]-, sodium salt|Benzenesulfonic acid, 4-[2-[5-methoxy-4-[2-(4-methoxyphenyl)diazenyl]-2-methylphenyl]diazenyl]-, sodium salt (1:1)|C.I. 26501|EINECS 271-462-0|Sodium 4-((5-methoxy-4-((4-methoxyphenyl)azo)-2-methylphenyl)azo)benzenesulphonate|72827-75-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044718
ERPathway2016 ERPathway2016_794 C.I. Acid Orange 156 68555-86-2 DTXSID7044718 ER Pathway Model, Agonist Call Inactive Unitless [Na+].COC1=CC=C(C=C1)N=NC1=C(OC)C=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(C)=C1 C.I. Acid Orange 156 68555-86-2|C.I. Acid Orange 156|4-((5-Methoxy-4-((4-methoxyphenyl)azo)-2-methylphenyl)azo)benzenesulfonic acid, sodium salt|Acid Orange 156|Benzenesulfonic acid, 4-[[5-methoxy-4-[(4-methoxyphenyl)azo]-2-methylphenyl]azo]-, sodium salt|Benzenesulfonic acid, 4-[2-[5-methoxy-4-[2-(4-methoxyphenyl)diazenyl]-2-methylphenyl]diazenyl]-, sodium salt (1:1)|C.I. 26501|EINECS 271-462-0|Sodium 4-((5-methoxy-4-((4-methoxyphenyl)azo)-2-methylphenyl)azo)benzenesulphonate|72827-75-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044718
ERPathway2016 ERPathway2016_794 C.I. Acid Orange 156 68555-86-2 DTXSID7044718 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].COC1=CC=C(C=C1)N=NC1=C(OC)C=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(C)=C1 C.I. Acid Orange 156 68555-86-2|C.I. Acid Orange 156|4-((5-Methoxy-4-((4-methoxyphenyl)azo)-2-methylphenyl)azo)benzenesulfonic acid, sodium salt|Acid Orange 156|Benzenesulfonic acid, 4-[[5-methoxy-4-[(4-methoxyphenyl)azo]-2-methylphenyl]azo]-, sodium salt|Benzenesulfonic acid, 4-[2-[5-methoxy-4-[2-(4-methoxyphenyl)diazenyl]-2-methylphenyl]diazenyl]-, sodium salt (1:1)|C.I. 26501|EINECS 271-462-0|Sodium 4-((5-methoxy-4-((4-methoxyphenyl)azo)-2-methylphenyl)azo)benzenesulphonate|72827-75-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044718
ARPathway2016 ARPathway2016_782 C.I. Acid Orange 24, monosodium salt 1320-07-6 DTXSID7041708 0.0 R3 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].C*.CC1=CC=CC=C1N=NC1=C(O)C=CC(N=NC2=CC=C(C=C2)S([O-])(=O)=O)=C1O |c:4,6,11,14,21,23,29,t:2,19,lp:10:1,11:1,14:2,18:1,19:1,27:3,28:2,29:2,31:2,m:2:8.5.7.6| C.I. Acid Orange 24, monosodium salt 1320-07-6|C.I. Acid Orange 24, monosodium salt|215-296-9|4-[[3-[(Dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulfonate de sodium|4-[[3-[(dimetilfenil)azo]-2,4-dihidroxifenil]azo]bencenosulfonato de sodio|Acid Orange 24|Benzenesulfonic acid 4-[[3-[dimethylphenyl(azo)]-2,4-dihydroxyphenyl]azo]-,monosodium salt|Benzenesulfonic acid, 4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]-, monosodium salt|Benzenesulfonic acid, 4-[2-[3-[2-(dimethylphenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]-, sodium salt (1:1)|Brown No. 201|C Ext. Brown 4|C.I. 20170|C.I. acid orange 024|C.I. Acid Orange 24|D & C Brown 1|D and C Brown No. 1|D&C Brown No. 1|EC No.: 215-296-9|EINECS 215-296-9|Fabracid Brown S-B|Multicuer Brown MNO|Natrium-4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzolsulfonat|Ratna Acid Fast Brown 2BB|Resorcin Brown|Resorcin Brown G|Resorcin Brown R|Resorcine Brown B|Resorcine Brown G|Resorcine Brown R|sodium 4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulphonate|UNII-8796B4I6HE|8004-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041708
ARPathway2016 ARPathway2016_782 C.I. Acid Orange 24, monosodium salt 1320-07-6 DTXSID7041708 0.0 R3 AR Pathway Model, Agonist Call Inactive Unitless [Na+].C*.CC1=CC=CC=C1N=NC1=C(O)C=CC(N=NC2=CC=C(C=C2)S([O-])(=O)=O)=C1O |c:4,6,11,14,21,23,29,t:2,19,lp:10:1,11:1,14:2,18:1,19:1,27:3,28:2,29:2,31:2,m:2:8.5.7.6| C.I. Acid Orange 24, monosodium salt 1320-07-6|C.I. Acid Orange 24, monosodium salt|215-296-9|4-[[3-[(Dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulfonate de sodium|4-[[3-[(dimetilfenil)azo]-2,4-dihidroxifenil]azo]bencenosulfonato de sodio|Acid Orange 24|Benzenesulfonic acid 4-[[3-[dimethylphenyl(azo)]-2,4-dihydroxyphenyl]azo]-,monosodium salt|Benzenesulfonic acid, 4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]-, monosodium salt|Benzenesulfonic acid, 4-[2-[3-[2-(dimethylphenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]-, sodium salt (1:1)|Brown No. 201|C Ext. Brown 4|C.I. 20170|C.I. acid orange 024|C.I. Acid Orange 24|D & C Brown 1|D and C Brown No. 1|D&C Brown No. 1|EC No.: 215-296-9|EINECS 215-296-9|Fabracid Brown S-B|Multicuer Brown MNO|Natrium-4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzolsulfonat|Ratna Acid Fast Brown 2BB|Resorcin Brown|Resorcin Brown G|Resorcin Brown R|Resorcine Brown B|Resorcine Brown G|Resorcine Brown R|sodium 4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulphonate|UNII-8796B4I6HE|8004-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041708
ARPathway2016 ARPathway2016_782 C.I. Acid Orange 24, monosodium salt 1320-07-6 DTXSID7041708 0.0 R3 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].C*.CC1=CC=CC=C1N=NC1=C(O)C=CC(N=NC2=CC=C(C=C2)S([O-])(=O)=O)=C1O |c:4,6,11,14,21,23,29,t:2,19,lp:10:1,11:1,14:2,18:1,19:1,27:3,28:2,29:2,31:2,m:2:8.5.7.6| C.I. Acid Orange 24, monosodium salt 1320-07-6|C.I. Acid Orange 24, monosodium salt|215-296-9|4-[[3-[(Dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulfonate de sodium|4-[[3-[(dimetilfenil)azo]-2,4-dihidroxifenil]azo]bencenosulfonato de sodio|Acid Orange 24|Benzenesulfonic acid 4-[[3-[dimethylphenyl(azo)]-2,4-dihydroxyphenyl]azo]-,monosodium salt|Benzenesulfonic acid, 4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]-, monosodium salt|Benzenesulfonic acid, 4-[2-[3-[2-(dimethylphenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]-, sodium salt (1:1)|Brown No. 201|C Ext. Brown 4|C.I. 20170|C.I. acid orange 024|C.I. Acid Orange 24|D & C Brown 1|D and C Brown No. 1|D&C Brown No. 1|EC No.: 215-296-9|EINECS 215-296-9|Fabracid Brown S-B|Multicuer Brown MNO|Natrium-4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzolsulfonat|Ratna Acid Fast Brown 2BB|Resorcin Brown|Resorcin Brown G|Resorcin Brown R|Resorcine Brown B|Resorcine Brown G|Resorcine Brown R|sodium 4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulphonate|UNII-8796B4I6HE|8004-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041708
ARPathway2016 ARPathway2016_782 C.I. Acid Orange 24, monosodium salt 1320-07-6 DTXSID7041708 0.0 R3 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].C*.CC1=CC=CC=C1N=NC1=C(O)C=CC(N=NC2=CC=C(C=C2)S([O-])(=O)=O)=C1O |c:4,6,11,14,21,23,29,t:2,19,lp:10:1,11:1,14:2,18:1,19:1,27:3,28:2,29:2,31:2,m:2:8.5.7.6| C.I. Acid Orange 24, monosodium salt 1320-07-6|C.I. Acid Orange 24, monosodium salt|215-296-9|4-[[3-[(Dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulfonate de sodium|4-[[3-[(dimetilfenil)azo]-2,4-dihidroxifenil]azo]bencenosulfonato de sodio|Acid Orange 24|Benzenesulfonic acid 4-[[3-[dimethylphenyl(azo)]-2,4-dihydroxyphenyl]azo]-,monosodium salt|Benzenesulfonic acid, 4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]-, monosodium salt|Benzenesulfonic acid, 4-[2-[3-[2-(dimethylphenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]-, sodium salt (1:1)|Brown No. 201|C Ext. Brown 4|C.I. 20170|C.I. acid orange 024|C.I. Acid Orange 24|D & C Brown 1|D and C Brown No. 1|D&C Brown No. 1|EC No.: 215-296-9|EINECS 215-296-9|Fabracid Brown S-B|Multicuer Brown MNO|Natrium-4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzolsulfonat|Ratna Acid Fast Brown 2BB|Resorcin Brown|Resorcin Brown G|Resorcin Brown R|Resorcine Brown B|Resorcine Brown G|Resorcine Brown R|sodium 4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulphonate|UNII-8796B4I6HE|8004-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041708
ERPathway2016 ERPathway2016_1014 C.I. Acid Orange 24, monosodium salt 1320-07-6 DTXSID7041708 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].C*.CC1=CC=CC=C1N=NC1=C(O)C=CC(N=NC2=CC=C(C=C2)S([O-])(=O)=O)=C1O |c:4,6,11,14,21,23,29,t:2,19,lp:10:1,11:1,14:2,18:1,19:1,27:3,28:2,29:2,31:2,m:2:8.5.7.6| C.I. Acid Orange 24, monosodium salt 1320-07-6|C.I. Acid Orange 24, monosodium salt|215-296-9|4-[[3-[(Dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulfonate de sodium|4-[[3-[(dimetilfenil)azo]-2,4-dihidroxifenil]azo]bencenosulfonato de sodio|Acid Orange 24|Benzenesulfonic acid 4-[[3-[dimethylphenyl(azo)]-2,4-dihydroxyphenyl]azo]-,monosodium salt|Benzenesulfonic acid, 4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]-, monosodium salt|Benzenesulfonic acid, 4-[2-[3-[2-(dimethylphenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]-, sodium salt (1:1)|Brown No. 201|C Ext. Brown 4|C.I. 20170|C.I. acid orange 024|C.I. Acid Orange 24|D & C Brown 1|D and C Brown No. 1|D&C Brown No. 1|EC No.: 215-296-9|EINECS 215-296-9|Fabracid Brown S-B|Multicuer Brown MNO|Natrium-4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzolsulfonat|Ratna Acid Fast Brown 2BB|Resorcin Brown|Resorcin Brown G|Resorcin Brown R|Resorcine Brown B|Resorcine Brown G|Resorcine Brown R|sodium 4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulphonate|UNII-8796B4I6HE|8004-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041708
ERPathway2016 ERPathway2016_1014 C.I. Acid Orange 24, monosodium salt 1320-07-6 DTXSID7041708 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].C*.CC1=CC=CC=C1N=NC1=C(O)C=CC(N=NC2=CC=C(C=C2)S([O-])(=O)=O)=C1O |c:4,6,11,14,21,23,29,t:2,19,lp:10:1,11:1,14:2,18:1,19:1,27:3,28:2,29:2,31:2,m:2:8.5.7.6| C.I. Acid Orange 24, monosodium salt 1320-07-6|C.I. Acid Orange 24, monosodium salt|215-296-9|4-[[3-[(Dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulfonate de sodium|4-[[3-[(dimetilfenil)azo]-2,4-dihidroxifenil]azo]bencenosulfonato de sodio|Acid Orange 24|Benzenesulfonic acid 4-[[3-[dimethylphenyl(azo)]-2,4-dihydroxyphenyl]azo]-,monosodium salt|Benzenesulfonic acid, 4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]-, monosodium salt|Benzenesulfonic acid, 4-[2-[3-[2-(dimethylphenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]-, sodium salt (1:1)|Brown No. 201|C Ext. Brown 4|C.I. 20170|C.I. acid orange 024|C.I. Acid Orange 24|D & C Brown 1|D and C Brown No. 1|D&C Brown No. 1|EC No.: 215-296-9|EINECS 215-296-9|Fabracid Brown S-B|Multicuer Brown MNO|Natrium-4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzolsulfonat|Ratna Acid Fast Brown 2BB|Resorcin Brown|Resorcin Brown G|Resorcin Brown R|Resorcine Brown B|Resorcine Brown G|Resorcine Brown R|sodium 4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulphonate|UNII-8796B4I6HE|8004-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041708
ERPathway2016 ERPathway2016_1014 C.I. Acid Orange 24, monosodium salt 1320-07-6 DTXSID7041708 ER Pathway Model, Agonist Call Inactive Unitless [Na+].C*.CC1=CC=CC=C1N=NC1=C(O)C=CC(N=NC2=CC=C(C=C2)S([O-])(=O)=O)=C1O |c:4,6,11,14,21,23,29,t:2,19,lp:10:1,11:1,14:2,18:1,19:1,27:3,28:2,29:2,31:2,m:2:8.5.7.6| C.I. Acid Orange 24, monosodium salt 1320-07-6|C.I. Acid Orange 24, monosodium salt|215-296-9|4-[[3-[(Dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulfonate de sodium|4-[[3-[(dimetilfenil)azo]-2,4-dihidroxifenil]azo]bencenosulfonato de sodio|Acid Orange 24|Benzenesulfonic acid 4-[[3-[dimethylphenyl(azo)]-2,4-dihydroxyphenyl]azo]-,monosodium salt|Benzenesulfonic acid, 4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]-, monosodium salt|Benzenesulfonic acid, 4-[2-[3-[2-(dimethylphenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]-, sodium salt (1:1)|Brown No. 201|C Ext. Brown 4|C.I. 20170|C.I. acid orange 024|C.I. Acid Orange 24|D & C Brown 1|D and C Brown No. 1|D&C Brown No. 1|EC No.: 215-296-9|EINECS 215-296-9|Fabracid Brown S-B|Multicuer Brown MNO|Natrium-4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzolsulfonat|Ratna Acid Fast Brown 2BB|Resorcin Brown|Resorcin Brown G|Resorcin Brown R|Resorcine Brown B|Resorcine Brown G|Resorcine Brown R|sodium 4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulphonate|UNII-8796B4I6HE|8004-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041708
ERPathway2016 ERPathway2016_1014 C.I. Acid Orange 24, monosodium salt 1320-07-6 DTXSID7041708 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].C*.CC1=CC=CC=C1N=NC1=C(O)C=CC(N=NC2=CC=C(C=C2)S([O-])(=O)=O)=C1O |c:4,6,11,14,21,23,29,t:2,19,lp:10:1,11:1,14:2,18:1,19:1,27:3,28:2,29:2,31:2,m:2:8.5.7.6| C.I. Acid Orange 24, monosodium salt 1320-07-6|C.I. Acid Orange 24, monosodium salt|215-296-9|4-[[3-[(Dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulfonate de sodium|4-[[3-[(dimetilfenil)azo]-2,4-dihidroxifenil]azo]bencenosulfonato de sodio|Acid Orange 24|Benzenesulfonic acid 4-[[3-[dimethylphenyl(azo)]-2,4-dihydroxyphenyl]azo]-,monosodium salt|Benzenesulfonic acid, 4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]-, monosodium salt|Benzenesulfonic acid, 4-[2-[3-[2-(dimethylphenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]-, sodium salt (1:1)|Brown No. 201|C Ext. Brown 4|C.I. 20170|C.I. acid orange 024|C.I. Acid Orange 24|D & C Brown 1|D and C Brown No. 1|D&C Brown No. 1|EC No.: 215-296-9|EINECS 215-296-9|Fabracid Brown S-B|Multicuer Brown MNO|Natrium-4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzolsulfonat|Ratna Acid Fast Brown 2BB|Resorcin Brown|Resorcin Brown G|Resorcin Brown R|Resorcine Brown B|Resorcine Brown G|Resorcine Brown R|sodium 4-[[3-[(dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulphonate|UNII-8796B4I6HE|8004-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041708
ARPathway2016 ARPathway2016_1427 C.I. Acid Orange 7 633-96-5 DTXSID0038881 0.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=CC=CC=C2C=C1 C.I. Acid Orange 7 633-96-5|C.I. Acid Orange 7|1-p-Sulfophenylazo-2-naphthol, monosodium salt|11550 Orange|2-Naphthol Orange II|211-199-0|4-((2-Hydroxy-1-naphthyl)azo)benzenesulfonic acid, sodium salt|4-[(2-hidroxi-1-naftil)azo]bencenosulfonato de sodio|4-[(2-Hydroxy-1-naphthyl)azo]benzenesulfonic acid, sodium salt|4-[(2-Hydroxy-1-naphtyl)azo]benzenesulfonate de sodium|Acid Leather Orange Extra|Acid Leather Orange Extra G|Acid Leather Orange Extra PRW|Acid Leather Orange PRW|Acid Orange|Acid Orange 7|Acid Orange A|Acid Orange II|Acilan Orange II|Airedale Orange II|Amacid Orange Y|Amacid Orange Y Conc|AO 7|Apollo Acid Orange II|Atul Acid Orange II|Basacid Orange 280|Basacid Orange 282|Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-, monosodium salt|Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)|Benzenesulfonic acid, p-(2-hydroxy-1-naphthylazo)-, sodium salt|beta-Naphthyl orange|Betanaphthol orange|Borunil Orange A 2R|Brasilan Orange A|BTK Orange II|Bucacid Orange A|C Ext. Orange 8|C. I. Acid orange 007|C.I. 1551|161628-32-6|75025-97-7|84842-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038881
ARPathway2016 ARPathway2016_1427 C.I. Acid Orange 7 633-96-5 DTXSID0038881 0.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=CC=CC=C2C=C1 C.I. Acid Orange 7 633-96-5|C.I. Acid Orange 7|1-p-Sulfophenylazo-2-naphthol, monosodium salt|11550 Orange|2-Naphthol Orange II|211-199-0|4-((2-Hydroxy-1-naphthyl)azo)benzenesulfonic acid, sodium salt|4-[(2-hidroxi-1-naftil)azo]bencenosulfonato de sodio|4-[(2-Hydroxy-1-naphthyl)azo]benzenesulfonic acid, sodium salt|4-[(2-Hydroxy-1-naphtyl)azo]benzenesulfonate de sodium|Acid Leather Orange Extra|Acid Leather Orange Extra G|Acid Leather Orange Extra PRW|Acid Leather Orange PRW|Acid Orange|Acid Orange 7|Acid Orange A|Acid Orange II|Acilan Orange II|Airedale Orange II|Amacid Orange Y|Amacid Orange Y Conc|AO 7|Apollo Acid Orange II|Atul Acid Orange II|Basacid Orange 280|Basacid Orange 282|Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-, monosodium salt|Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)|Benzenesulfonic acid, p-(2-hydroxy-1-naphthylazo)-, sodium salt|beta-Naphthyl orange|Betanaphthol orange|Borunil Orange A 2R|Brasilan Orange A|BTK Orange II|Bucacid Orange A|C Ext. Orange 8|C. I. Acid orange 007|C.I. 1551|161628-32-6|75025-97-7|84842-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038881
ARPathway2016 ARPathway2016_1427 C.I. Acid Orange 7 633-96-5 DTXSID0038881 0.0 A3 AR Pathway Model, Agonist Call Inactive Unitless [Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=CC=CC=C2C=C1 C.I. Acid Orange 7 633-96-5|C.I. Acid Orange 7|1-p-Sulfophenylazo-2-naphthol, monosodium salt|11550 Orange|2-Naphthol Orange II|211-199-0|4-((2-Hydroxy-1-naphthyl)azo)benzenesulfonic acid, sodium salt|4-[(2-hidroxi-1-naftil)azo]bencenosulfonato de sodio|4-[(2-Hydroxy-1-naphthyl)azo]benzenesulfonic acid, sodium salt|4-[(2-Hydroxy-1-naphtyl)azo]benzenesulfonate de sodium|Acid Leather Orange Extra|Acid Leather Orange Extra G|Acid Leather Orange Extra PRW|Acid Leather Orange PRW|Acid Orange|Acid Orange 7|Acid Orange A|Acid Orange II|Acilan Orange II|Airedale Orange II|Amacid Orange Y|Amacid Orange Y Conc|AO 7|Apollo Acid Orange II|Atul Acid Orange II|Basacid Orange 280|Basacid Orange 282|Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-, monosodium salt|Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)|Benzenesulfonic acid, p-(2-hydroxy-1-naphthylazo)-, sodium salt|beta-Naphthyl orange|Betanaphthol orange|Borunil Orange A 2R|Brasilan Orange A|BTK Orange II|Bucacid Orange A|C Ext. Orange 8|C. I. Acid orange 007|C.I. 1551|161628-32-6|75025-97-7|84842-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038881
ARPathway2016 ARPathway2016_1427 C.I. Acid Orange 7 633-96-5 DTXSID0038881 0.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=CC=CC=C2C=C1 C.I. Acid Orange 7 633-96-5|C.I. Acid Orange 7|1-p-Sulfophenylazo-2-naphthol, monosodium salt|11550 Orange|2-Naphthol Orange II|211-199-0|4-((2-Hydroxy-1-naphthyl)azo)benzenesulfonic acid, sodium salt|4-[(2-hidroxi-1-naftil)azo]bencenosulfonato de sodio|4-[(2-Hydroxy-1-naphthyl)azo]benzenesulfonic acid, sodium salt|4-[(2-Hydroxy-1-naphtyl)azo]benzenesulfonate de sodium|Acid Leather Orange Extra|Acid Leather Orange Extra G|Acid Leather Orange Extra PRW|Acid Leather Orange PRW|Acid Orange|Acid Orange 7|Acid Orange A|Acid Orange II|Acilan Orange II|Airedale Orange II|Amacid Orange Y|Amacid Orange Y Conc|AO 7|Apollo Acid Orange II|Atul Acid Orange II|Basacid Orange 280|Basacid Orange 282|Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-, monosodium salt|Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)|Benzenesulfonic acid, p-(2-hydroxy-1-naphthylazo)-, sodium salt|beta-Naphthyl orange|Betanaphthol orange|Borunil Orange A 2R|Brasilan Orange A|BTK Orange II|Bucacid Orange A|C Ext. Orange 8|C. I. Acid orange 007|C.I. 1551|161628-32-6|75025-97-7|84842-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038881
ERPathway2016 ERPathway2016_823 C.I. Acid Orange 7 633-96-5 DTXSID0038881 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=CC=CC=C2C=C1 C.I. Acid Orange 7 633-96-5|C.I. Acid Orange 7|1-p-Sulfophenylazo-2-naphthol, monosodium salt|11550 Orange|2-Naphthol Orange II|211-199-0|4-((2-Hydroxy-1-naphthyl)azo)benzenesulfonic acid, sodium salt|4-[(2-hidroxi-1-naftil)azo]bencenosulfonato de sodio|4-[(2-Hydroxy-1-naphthyl)azo]benzenesulfonic acid, sodium salt|4-[(2-Hydroxy-1-naphtyl)azo]benzenesulfonate de sodium|Acid Leather Orange Extra|Acid Leather Orange Extra G|Acid Leather Orange Extra PRW|Acid Leather Orange PRW|Acid Orange|Acid Orange 7|Acid Orange A|Acid Orange II|Acilan Orange II|Airedale Orange II|Amacid Orange Y|Amacid Orange Y Conc|AO 7|Apollo Acid Orange II|Atul Acid Orange II|Basacid Orange 280|Basacid Orange 282|Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-, monosodium salt|Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)|Benzenesulfonic acid, p-(2-hydroxy-1-naphthylazo)-, sodium salt|beta-Naphthyl orange|Betanaphthol orange|Borunil Orange A 2R|Brasilan Orange A|BTK Orange II|Bucacid Orange A|C Ext. Orange 8|C. I. Acid orange 007|C.I. 1551|161628-32-6|75025-97-7|84842-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038881
ERPathway2016 ERPathway2016_823 C.I. Acid Orange 7 633-96-5 DTXSID0038881 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=CC=CC=C2C=C1 C.I. Acid Orange 7 633-96-5|C.I. Acid Orange 7|1-p-Sulfophenylazo-2-naphthol, monosodium salt|11550 Orange|2-Naphthol Orange II|211-199-0|4-((2-Hydroxy-1-naphthyl)azo)benzenesulfonic acid, sodium salt|4-[(2-hidroxi-1-naftil)azo]bencenosulfonato de sodio|4-[(2-Hydroxy-1-naphthyl)azo]benzenesulfonic acid, sodium salt|4-[(2-Hydroxy-1-naphtyl)azo]benzenesulfonate de sodium|Acid Leather Orange Extra|Acid Leather Orange Extra G|Acid Leather Orange Extra PRW|Acid Leather Orange PRW|Acid Orange|Acid Orange 7|Acid Orange A|Acid Orange II|Acilan Orange II|Airedale Orange II|Amacid Orange Y|Amacid Orange Y Conc|AO 7|Apollo Acid Orange II|Atul Acid Orange II|Basacid Orange 280|Basacid Orange 282|Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-, monosodium salt|Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)|Benzenesulfonic acid, p-(2-hydroxy-1-naphthylazo)-, sodium salt|beta-Naphthyl orange|Betanaphthol orange|Borunil Orange A 2R|Brasilan Orange A|BTK Orange II|Bucacid Orange A|C Ext. Orange 8|C. I. Acid orange 007|C.I. 1551|161628-32-6|75025-97-7|84842-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038881
ERPathway2016 ERPathway2016_823 C.I. Acid Orange 7 633-96-5 DTXSID0038881 ER Pathway Model, Agonist Call Inactive Unitless [Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=CC=CC=C2C=C1 C.I. Acid Orange 7 633-96-5|C.I. Acid Orange 7|1-p-Sulfophenylazo-2-naphthol, monosodium salt|11550 Orange|2-Naphthol Orange II|211-199-0|4-((2-Hydroxy-1-naphthyl)azo)benzenesulfonic acid, sodium salt|4-[(2-hidroxi-1-naftil)azo]bencenosulfonato de sodio|4-[(2-Hydroxy-1-naphthyl)azo]benzenesulfonic acid, sodium salt|4-[(2-Hydroxy-1-naphtyl)azo]benzenesulfonate de sodium|Acid Leather Orange Extra|Acid Leather Orange Extra G|Acid Leather Orange Extra PRW|Acid Leather Orange PRW|Acid Orange|Acid Orange 7|Acid Orange A|Acid Orange II|Acilan Orange II|Airedale Orange II|Amacid Orange Y|Amacid Orange Y Conc|AO 7|Apollo Acid Orange II|Atul Acid Orange II|Basacid Orange 280|Basacid Orange 282|Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-, monosodium salt|Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)|Benzenesulfonic acid, p-(2-hydroxy-1-naphthylazo)-, sodium salt|beta-Naphthyl orange|Betanaphthol orange|Borunil Orange A 2R|Brasilan Orange A|BTK Orange II|Bucacid Orange A|C Ext. Orange 8|C. I. Acid orange 007|C.I. 1551|161628-32-6|75025-97-7|84842-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038881
ERPathway2016 ERPathway2016_823 C.I. Acid Orange 7 633-96-5 DTXSID0038881 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=CC=CC=C2C=C1 C.I. Acid Orange 7 633-96-5|C.I. Acid Orange 7|1-p-Sulfophenylazo-2-naphthol, monosodium salt|11550 Orange|2-Naphthol Orange II|211-199-0|4-((2-Hydroxy-1-naphthyl)azo)benzenesulfonic acid, sodium salt|4-[(2-hidroxi-1-naftil)azo]bencenosulfonato de sodio|4-[(2-Hydroxy-1-naphthyl)azo]benzenesulfonic acid, sodium salt|4-[(2-Hydroxy-1-naphtyl)azo]benzenesulfonate de sodium|Acid Leather Orange Extra|Acid Leather Orange Extra G|Acid Leather Orange Extra PRW|Acid Leather Orange PRW|Acid Orange|Acid Orange 7|Acid Orange A|Acid Orange II|Acilan Orange II|Airedale Orange II|Amacid Orange Y|Amacid Orange Y Conc|AO 7|Apollo Acid Orange II|Atul Acid Orange II|Basacid Orange 280|Basacid Orange 282|Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-, monosodium salt|Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)|Benzenesulfonic acid, p-(2-hydroxy-1-naphthylazo)-, sodium salt|beta-Naphthyl orange|Betanaphthol orange|Borunil Orange A 2R|Brasilan Orange A|BTK Orange II|Bucacid Orange A|C Ext. Orange 8|C. I. Acid orange 007|C.I. 1551|161628-32-6|75025-97-7|84842-86-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038881
ARPathway2016 ARPathway2016_1359 C.I. Acid Orange 8, monosodium salt 5850-86-2 DTXSID2041709 0.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC1=C(C=CC(=C1)S([O-])(=O)=O)N=NC1=C(O)C=CC2=CC=CC=C12 C.I. Acid Orange 8, monosodium salt 5850-86-2|C.I. Acid Orange 8, monosodium salt|Acid Brilliant Orange R|Acid Orange 8|Airedale Orange R|Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-3-methyl-, monosodium salt|Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-3-methyl-, sodium salt (1:1)|Brilliant Orange R|Brilliant Orange RO|C.I. Acid Orange 8|C.I. Acid Orange 8, monosodium salt|Calcocid Orange RR|Diacid Orange R|EINECS 227-458-6|Kayaku Acid Orange RO|Kiton Fast Orange 2R|Kiton Orange R|Naphthazine Orange R|NSC 51525|Orange RO|Orange T|Polycor Orange R|Shikiso Acid Orange RO|Solar Orange R|Tertracid Orange RO|Vondacid Orange RO|Wool Orange R|Yodogawa Acid Orange R https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041709
ARPathway2016 ARPathway2016_1359 C.I. Acid Orange 8, monosodium salt 5850-86-2 DTXSID2041709 0.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CC1=C(C=CC(=C1)S([O-])(=O)=O)N=NC1=C(O)C=CC2=CC=CC=C12 C.I. Acid Orange 8, monosodium salt 5850-86-2|C.I. Acid Orange 8, monosodium salt|Acid Brilliant Orange R|Acid Orange 8|Airedale Orange R|Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-3-methyl-, monosodium salt|Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-3-methyl-, sodium salt (1:1)|Brilliant Orange R|Brilliant Orange RO|C.I. Acid Orange 8|C.I. Acid Orange 8, monosodium salt|Calcocid Orange RR|Diacid Orange R|EINECS 227-458-6|Kayaku Acid Orange RO|Kiton Fast Orange 2R|Kiton Orange R|Naphthazine Orange R|NSC 51525|Orange RO|Orange T|Polycor Orange R|Shikiso Acid Orange RO|Solar Orange R|Tertracid Orange RO|Vondacid Orange RO|Wool Orange R|Yodogawa Acid Orange R https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041709
ARPathway2016 ARPathway2016_1359 C.I. Acid Orange 8, monosodium salt 5850-86-2 DTXSID2041709 0.0 A3 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CC1=C(C=CC(=C1)S([O-])(=O)=O)N=NC1=C(O)C=CC2=CC=CC=C12 C.I. Acid Orange 8, monosodium salt 5850-86-2|C.I. Acid Orange 8, monosodium salt|Acid Brilliant Orange R|Acid Orange 8|Airedale Orange R|Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-3-methyl-, monosodium salt|Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-3-methyl-, sodium salt (1:1)|Brilliant Orange R|Brilliant Orange RO|C.I. Acid Orange 8|C.I. Acid Orange 8, monosodium salt|Calcocid Orange RR|Diacid Orange R|EINECS 227-458-6|Kayaku Acid Orange RO|Kiton Fast Orange 2R|Kiton Orange R|Naphthazine Orange R|NSC 51525|Orange RO|Orange T|Polycor Orange R|Shikiso Acid Orange RO|Solar Orange R|Tertracid Orange RO|Vondacid Orange RO|Wool Orange R|Yodogawa Acid Orange R https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041709
ARPathway2016 ARPathway2016_1359 C.I. Acid Orange 8, monosodium salt 5850-86-2 DTXSID2041709 0.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CC1=C(C=CC(=C1)S([O-])(=O)=O)N=NC1=C(O)C=CC2=CC=CC=C12 C.I. Acid Orange 8, monosodium salt 5850-86-2|C.I. Acid Orange 8, monosodium salt|Acid Brilliant Orange R|Acid Orange 8|Airedale Orange R|Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-3-methyl-, monosodium salt|Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-3-methyl-, sodium salt (1:1)|Brilliant Orange R|Brilliant Orange RO|C.I. Acid Orange 8|C.I. Acid Orange 8, monosodium salt|Calcocid Orange RR|Diacid Orange R|EINECS 227-458-6|Kayaku Acid Orange RO|Kiton Fast Orange 2R|Kiton Orange R|Naphthazine Orange R|NSC 51525|Orange RO|Orange T|Polycor Orange R|Shikiso Acid Orange RO|Solar Orange R|Tertracid Orange RO|Vondacid Orange RO|Wool Orange R|Yodogawa Acid Orange R https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041709
ERPathway2016 ERPathway2016_1557 C.I. Acid Orange 8, monosodium salt 5850-86-2 DTXSID2041709 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CC1=C(C=CC(=C1)S([O-])(=O)=O)N=NC1=C(O)C=CC2=CC=CC=C12 C.I. Acid Orange 8, monosodium salt 5850-86-2|C.I. Acid Orange 8, monosodium salt|Acid Brilliant Orange R|Acid Orange 8|Airedale Orange R|Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-3-methyl-, monosodium salt|Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-3-methyl-, sodium salt (1:1)|Brilliant Orange R|Brilliant Orange RO|C.I. Acid Orange 8|C.I. Acid Orange 8, monosodium salt|Calcocid Orange RR|Diacid Orange R|EINECS 227-458-6|Kayaku Acid Orange RO|Kiton Fast Orange 2R|Kiton Orange R|Naphthazine Orange R|NSC 51525|Orange RO|Orange T|Polycor Orange R|Shikiso Acid Orange RO|Solar Orange R|Tertracid Orange RO|Vondacid Orange RO|Wool Orange R|Yodogawa Acid Orange R https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041709
ERPathway2016 ERPathway2016_1557 C.I. Acid Orange 8, monosodium salt 5850-86-2 DTXSID2041709 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC1=C(C=CC(=C1)S([O-])(=O)=O)N=NC1=C(O)C=CC2=CC=CC=C12 C.I. Acid Orange 8, monosodium salt 5850-86-2|C.I. Acid Orange 8, monosodium salt|Acid Brilliant Orange R|Acid Orange 8|Airedale Orange R|Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-3-methyl-, monosodium salt|Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-3-methyl-, sodium salt (1:1)|Brilliant Orange R|Brilliant Orange RO|C.I. Acid Orange 8|C.I. Acid Orange 8, monosodium salt|Calcocid Orange RR|Diacid Orange R|EINECS 227-458-6|Kayaku Acid Orange RO|Kiton Fast Orange 2R|Kiton Orange R|Naphthazine Orange R|NSC 51525|Orange RO|Orange T|Polycor Orange R|Shikiso Acid Orange RO|Solar Orange R|Tertracid Orange RO|Vondacid Orange RO|Wool Orange R|Yodogawa Acid Orange R https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041709
ERPathway2016 ERPathway2016_1557 C.I. Acid Orange 8, monosodium salt 5850-86-2 DTXSID2041709 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CC1=C(C=CC(=C1)S([O-])(=O)=O)N=NC1=C(O)C=CC2=CC=CC=C12 C.I. Acid Orange 8, monosodium salt 5850-86-2|C.I. Acid Orange 8, monosodium salt|Acid Brilliant Orange R|Acid Orange 8|Airedale Orange R|Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-3-methyl-, monosodium salt|Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-3-methyl-, sodium salt (1:1)|Brilliant Orange R|Brilliant Orange RO|C.I. Acid Orange 8|C.I. Acid Orange 8, monosodium salt|Calcocid Orange RR|Diacid Orange R|EINECS 227-458-6|Kayaku Acid Orange RO|Kiton Fast Orange 2R|Kiton Orange R|Naphthazine Orange R|NSC 51525|Orange RO|Orange T|Polycor Orange R|Shikiso Acid Orange RO|Solar Orange R|Tertracid Orange RO|Vondacid Orange RO|Wool Orange R|Yodogawa Acid Orange R https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041709
ERPathway2016 ERPathway2016_1557 C.I. Acid Orange 8, monosodium salt 5850-86-2 DTXSID2041709 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CC1=C(C=CC(=C1)S([O-])(=O)=O)N=NC1=C(O)C=CC2=CC=CC=C12 C.I. Acid Orange 8, monosodium salt 5850-86-2|C.I. Acid Orange 8, monosodium salt|Acid Brilliant Orange R|Acid Orange 8|Airedale Orange R|Benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-3-methyl-, monosodium salt|Benzenesulfonic acid, 4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-3-methyl-, sodium salt (1:1)|Brilliant Orange R|Brilliant Orange RO|C.I. Acid Orange 8|C.I. Acid Orange 8, monosodium salt|Calcocid Orange RR|Diacid Orange R|EINECS 227-458-6|Kayaku Acid Orange RO|Kiton Fast Orange 2R|Kiton Orange R|Naphthazine Orange R|NSC 51525|Orange RO|Orange T|Polycor Orange R|Shikiso Acid Orange RO|Solar Orange R|Tertracid Orange RO|Vondacid Orange RO|Wool Orange R|Yodogawa Acid Orange R https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041709
ARPathway2016 ARPathway2016_1176 C.I. Acid Red 1 3734-67-6 DTXSID9044663 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].CC(=O)NC1=CC(=CC2=C1C(O)=C(N=NC1=CC=CC=C1)C(=C2)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Red 1 3734-67-6|C.I. Acid Red 1|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(2-phenyldiazenyl)-, sodium salt (1:2)|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(phenylazo)-, disodium salt|223-098-9|Acetyl Red G|Acetyl Red J|Acetyl Rose 2GL|Acid Bright Red|Acid Brilliant Red|Acid Fast Red 3G|Acid Fast Red EGG|Acid Leather Red KG|Acid Naftol Red G|Acid Phloxine GA|Acid Red 2G|Acid Red GA|Acid Rose 2GL|Acidal Brilliant Red 2G|Acidine Red G|Acilan Naphthol Red G|Acilan Naphtol Red G|Ahcocid Carmine 2G|Amacid Phloxine|Amacid Phloxine G|Amido Naphthol Red 2G|Amido Naphthol Red G|Amido Naphthol Red GA|Amido Red 2G|Ariavit Red 2G|Atul Acid Geranine G|Azo Geranine 2G|Azo Geranine 2GA|Azo Phloxine|Azo Phloxine GA|Azo Phloxine GA-CF|Azo Rhodine 2G|Azonaphthol Red J|Azophloxin|Azophloxine|Belacid Phloxine G|Brilliant Acid Red G|Brilliant Acid Rosamine 2G|Brilliant Colacid Red G|Bucacid Fast Crimson|C. I. Food Red 10|C.I. 18050|C.I. Acid Red 1, disodium salt|C.I. Food Red 10|Calcocid Phloxine 2G|Cerven kysela 1|Cerven potr|85537-28-6|97502-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044663
ARPathway2016 ARPathway2016_1176 C.I. Acid Red 1 3734-67-6 DTXSID9044663 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].CC(=O)NC1=CC(=CC2=C1C(O)=C(N=NC1=CC=CC=C1)C(=C2)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Red 1 3734-67-6|C.I. Acid Red 1|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(2-phenyldiazenyl)-, sodium salt (1:2)|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(phenylazo)-, disodium salt|223-098-9|Acetyl Red G|Acetyl Red J|Acetyl Rose 2GL|Acid Bright Red|Acid Brilliant Red|Acid Fast Red 3G|Acid Fast Red EGG|Acid Leather Red KG|Acid Naftol Red G|Acid Phloxine GA|Acid Red 2G|Acid Red GA|Acid Rose 2GL|Acidal Brilliant Red 2G|Acidine Red G|Acilan Naphthol Red G|Acilan Naphtol Red G|Ahcocid Carmine 2G|Amacid Phloxine|Amacid Phloxine G|Amido Naphthol Red 2G|Amido Naphthol Red G|Amido Naphthol Red GA|Amido Red 2G|Ariavit Red 2G|Atul Acid Geranine G|Azo Geranine 2G|Azo Geranine 2GA|Azo Phloxine|Azo Phloxine GA|Azo Phloxine GA-CF|Azo Rhodine 2G|Azonaphthol Red J|Azophloxin|Azophloxine|Belacid Phloxine G|Brilliant Acid Red G|Brilliant Acid Rosamine 2G|Brilliant Colacid Red G|Bucacid Fast Crimson|C. I. Food Red 10|C.I. 18050|C.I. Acid Red 1, disodium salt|C.I. Food Red 10|Calcocid Phloxine 2G|Cerven kysela 1|Cerven potr|85537-28-6|97502-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044663
ARPathway2016 ARPathway2016_1176 C.I. Acid Red 1 3734-67-6 DTXSID9044663 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].CC(=O)NC1=CC(=CC2=C1C(O)=C(N=NC1=CC=CC=C1)C(=C2)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Red 1 3734-67-6|C.I. Acid Red 1|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(2-phenyldiazenyl)-, sodium salt (1:2)|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(phenylazo)-, disodium salt|223-098-9|Acetyl Red G|Acetyl Red J|Acetyl Rose 2GL|Acid Bright Red|Acid Brilliant Red|Acid Fast Red 3G|Acid Fast Red EGG|Acid Leather Red KG|Acid Naftol Red G|Acid Phloxine GA|Acid Red 2G|Acid Red GA|Acid Rose 2GL|Acidal Brilliant Red 2G|Acidine Red G|Acilan Naphthol Red G|Acilan Naphtol Red G|Ahcocid Carmine 2G|Amacid Phloxine|Amacid Phloxine G|Amido Naphthol Red 2G|Amido Naphthol Red G|Amido Naphthol Red GA|Amido Red 2G|Ariavit Red 2G|Atul Acid Geranine G|Azo Geranine 2G|Azo Geranine 2GA|Azo Phloxine|Azo Phloxine GA|Azo Phloxine GA-CF|Azo Rhodine 2G|Azonaphthol Red J|Azophloxin|Azophloxine|Belacid Phloxine G|Brilliant Acid Red G|Brilliant Acid Rosamine 2G|Brilliant Colacid Red G|Bucacid Fast Crimson|C. I. Food Red 10|C.I. 18050|C.I. Acid Red 1, disodium salt|C.I. Food Red 10|Calcocid Phloxine 2G|Cerven kysela 1|Cerven potr|85537-28-6|97502-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044663
ARPathway2016 ARPathway2016_1176 C.I. Acid Red 1 3734-67-6 DTXSID9044663 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].CC(=O)NC1=CC(=CC2=C1C(O)=C(N=NC1=CC=CC=C1)C(=C2)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Red 1 3734-67-6|C.I. Acid Red 1|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(2-phenyldiazenyl)-, sodium salt (1:2)|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(phenylazo)-, disodium salt|223-098-9|Acetyl Red G|Acetyl Red J|Acetyl Rose 2GL|Acid Bright Red|Acid Brilliant Red|Acid Fast Red 3G|Acid Fast Red EGG|Acid Leather Red KG|Acid Naftol Red G|Acid Phloxine GA|Acid Red 2G|Acid Red GA|Acid Rose 2GL|Acidal Brilliant Red 2G|Acidine Red G|Acilan Naphthol Red G|Acilan Naphtol Red G|Ahcocid Carmine 2G|Amacid Phloxine|Amacid Phloxine G|Amido Naphthol Red 2G|Amido Naphthol Red G|Amido Naphthol Red GA|Amido Red 2G|Ariavit Red 2G|Atul Acid Geranine G|Azo Geranine 2G|Azo Geranine 2GA|Azo Phloxine|Azo Phloxine GA|Azo Phloxine GA-CF|Azo Rhodine 2G|Azonaphthol Red J|Azophloxin|Azophloxine|Belacid Phloxine G|Brilliant Acid Red G|Brilliant Acid Rosamine 2G|Brilliant Colacid Red G|Bucacid Fast Crimson|C. I. Food Red 10|C.I. 18050|C.I. Acid Red 1, disodium salt|C.I. Food Red 10|Calcocid Phloxine 2G|Cerven kysela 1|Cerven potr|85537-28-6|97502-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044663
ERPathway2016 ERPathway2016_1472 C.I. Acid Red 1 3734-67-6 DTXSID9044663 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].CC(=O)NC1=CC(=CC2=C1C(O)=C(N=NC1=CC=CC=C1)C(=C2)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Red 1 3734-67-6|C.I. Acid Red 1|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(2-phenyldiazenyl)-, sodium salt (1:2)|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(phenylazo)-, disodium salt|223-098-9|Acetyl Red G|Acetyl Red J|Acetyl Rose 2GL|Acid Bright Red|Acid Brilliant Red|Acid Fast Red 3G|Acid Fast Red EGG|Acid Leather Red KG|Acid Naftol Red G|Acid Phloxine GA|Acid Red 2G|Acid Red GA|Acid Rose 2GL|Acidal Brilliant Red 2G|Acidine Red G|Acilan Naphthol Red G|Acilan Naphtol Red G|Ahcocid Carmine 2G|Amacid Phloxine|Amacid Phloxine G|Amido Naphthol Red 2G|Amido Naphthol Red G|Amido Naphthol Red GA|Amido Red 2G|Ariavit Red 2G|Atul Acid Geranine G|Azo Geranine 2G|Azo Geranine 2GA|Azo Phloxine|Azo Phloxine GA|Azo Phloxine GA-CF|Azo Rhodine 2G|Azonaphthol Red J|Azophloxin|Azophloxine|Belacid Phloxine G|Brilliant Acid Red G|Brilliant Acid Rosamine 2G|Brilliant Colacid Red G|Bucacid Fast Crimson|C. I. Food Red 10|C.I. 18050|C.I. Acid Red 1, disodium salt|C.I. Food Red 10|Calcocid Phloxine 2G|Cerven kysela 1|Cerven potr|85537-28-6|97502-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044663
ERPathway2016 ERPathway2016_1472 C.I. Acid Red 1 3734-67-6 DTXSID9044663 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].CC(=O)NC1=CC(=CC2=C1C(O)=C(N=NC1=CC=CC=C1)C(=C2)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Red 1 3734-67-6|C.I. Acid Red 1|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(2-phenyldiazenyl)-, sodium salt (1:2)|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(phenylazo)-, disodium salt|223-098-9|Acetyl Red G|Acetyl Red J|Acetyl Rose 2GL|Acid Bright Red|Acid Brilliant Red|Acid Fast Red 3G|Acid Fast Red EGG|Acid Leather Red KG|Acid Naftol Red G|Acid Phloxine GA|Acid Red 2G|Acid Red GA|Acid Rose 2GL|Acidal Brilliant Red 2G|Acidine Red G|Acilan Naphthol Red G|Acilan Naphtol Red G|Ahcocid Carmine 2G|Amacid Phloxine|Amacid Phloxine G|Amido Naphthol Red 2G|Amido Naphthol Red G|Amido Naphthol Red GA|Amido Red 2G|Ariavit Red 2G|Atul Acid Geranine G|Azo Geranine 2G|Azo Geranine 2GA|Azo Phloxine|Azo Phloxine GA|Azo Phloxine GA-CF|Azo Rhodine 2G|Azonaphthol Red J|Azophloxin|Azophloxine|Belacid Phloxine G|Brilliant Acid Red G|Brilliant Acid Rosamine 2G|Brilliant Colacid Red G|Bucacid Fast Crimson|C. I. Food Red 10|C.I. 18050|C.I. Acid Red 1, disodium salt|C.I. Food Red 10|Calcocid Phloxine 2G|Cerven kysela 1|Cerven potr|85537-28-6|97502-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044663
ERPathway2016 ERPathway2016_1472 C.I. Acid Red 1 3734-67-6 DTXSID9044663 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].CC(=O)NC1=CC(=CC2=C1C(O)=C(N=NC1=CC=CC=C1)C(=C2)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Red 1 3734-67-6|C.I. Acid Red 1|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(2-phenyldiazenyl)-, sodium salt (1:2)|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(phenylazo)-, disodium salt|223-098-9|Acetyl Red G|Acetyl Red J|Acetyl Rose 2GL|Acid Bright Red|Acid Brilliant Red|Acid Fast Red 3G|Acid Fast Red EGG|Acid Leather Red KG|Acid Naftol Red G|Acid Phloxine GA|Acid Red 2G|Acid Red GA|Acid Rose 2GL|Acidal Brilliant Red 2G|Acidine Red G|Acilan Naphthol Red G|Acilan Naphtol Red G|Ahcocid Carmine 2G|Amacid Phloxine|Amacid Phloxine G|Amido Naphthol Red 2G|Amido Naphthol Red G|Amido Naphthol Red GA|Amido Red 2G|Ariavit Red 2G|Atul Acid Geranine G|Azo Geranine 2G|Azo Geranine 2GA|Azo Phloxine|Azo Phloxine GA|Azo Phloxine GA-CF|Azo Rhodine 2G|Azonaphthol Red J|Azophloxin|Azophloxine|Belacid Phloxine G|Brilliant Acid Red G|Brilliant Acid Rosamine 2G|Brilliant Colacid Red G|Bucacid Fast Crimson|C. I. Food Red 10|C.I. 18050|C.I. Acid Red 1, disodium salt|C.I. Food Red 10|Calcocid Phloxine 2G|Cerven kysela 1|Cerven potr|85537-28-6|97502-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044663
ERPathway2016 ERPathway2016_1472 C.I. Acid Red 1 3734-67-6 DTXSID9044663 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].CC(=O)NC1=CC(=CC2=C1C(O)=C(N=NC1=CC=CC=C1)C(=C2)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Red 1 3734-67-6|C.I. Acid Red 1|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(2-phenyldiazenyl)-, sodium salt (1:2)|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(phenylazo)-, disodium salt|223-098-9|Acetyl Red G|Acetyl Red J|Acetyl Rose 2GL|Acid Bright Red|Acid Brilliant Red|Acid Fast Red 3G|Acid Fast Red EGG|Acid Leather Red KG|Acid Naftol Red G|Acid Phloxine GA|Acid Red 2G|Acid Red GA|Acid Rose 2GL|Acidal Brilliant Red 2G|Acidine Red G|Acilan Naphthol Red G|Acilan Naphtol Red G|Ahcocid Carmine 2G|Amacid Phloxine|Amacid Phloxine G|Amido Naphthol Red 2G|Amido Naphthol Red G|Amido Naphthol Red GA|Amido Red 2G|Ariavit Red 2G|Atul Acid Geranine G|Azo Geranine 2G|Azo Geranine 2GA|Azo Phloxine|Azo Phloxine GA|Azo Phloxine GA-CF|Azo Rhodine 2G|Azonaphthol Red J|Azophloxin|Azophloxine|Belacid Phloxine G|Brilliant Acid Red G|Brilliant Acid Rosamine 2G|Brilliant Colacid Red G|Bucacid Fast Crimson|C. I. Food Red 10|C.I. 18050|C.I. Acid Red 1, disodium salt|C.I. Food Red 10|Calcocid Phloxine 2G|Cerven kysela 1|Cerven potr|85537-28-6|97502-49-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044663
ARPathway2016 ARPathway2016_1441 C.I. Acid Red 114 6459-94-5 DTXSID8021224 FLAG: Wrong direction shift (Hit/Hit) 0.0 R3 AR Pathway Model, Antagonist Model Score 0.00114 Unitless [Na+].[Na+].CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C1)N=NC1=C(C)C=C(C=C1)C1=CC=C(N=NC2=C(O)C=CC3=CC(=CC(=C23)S([O-])(=O)=O)S([O-])(=O)=O)C(C)=C1 C.I. Acid Red 114 6459-94-5|C.I. Acid Red 114|1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxy-, disodium salt|1,3-Naphthalenedisulfonic acid, 8-[2-[3,3'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-7-hydroxy-, sodium salt (1:2)|Acid Leather Red BG|Acid Red 114|Amacid Milling Red PRS|Benzyl Fast Red BG|Benzyl Red BR|C.I. Acid Red 114, disodium salt|Cerven kysela 114|CI Acid Red 114|Dinacid Milling Red RG|EINECS 229-272-0|Elcacid Milling Fast Red RS|Erionyl Red RS|Fenafor Red PB|Folan Red B|Intrazone Red BR|Kayanol Milling Red RS|Leather Fast Red B|Levanol Red GG|Midlon Red PRS|Milling Fast Red B|Milling Red B|Milling Red BB|Milling Red SWB|NCI C61096|Polar Red RS|Sandolan Red N-RS|Sella Fast Red RS|Sulphonol Fast Red R|Sulphonol Red R|Suminol Milling Red RS|Supranol Fast Red 3G|Supranol Fast Red GG|Supranol Red PBX-CF|Supranol Red R|Telon Fast Red GG|Tertracid Milling Red B|Tetracid Milling Red B|Tetracid Milling Red G||471258-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021224 https://doi.org/10.22427/NTP-DATA-DTXSID8021224
ARPathway2016 ARPathway2016_1441 C.I. Acid Red 114 6459-94-5 DTXSID8021224 FLAG: Wrong direction shift (Hit/Hit) 0.0 R3 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C1)N=NC1=C(C)C=C(C=C1)C1=CC=C(N=NC2=C(O)C=CC3=CC(=CC(=C23)S([O-])(=O)=O)S([O-])(=O)=O)C(C)=C1 C.I. Acid Red 114 6459-94-5|C.I. Acid Red 114|1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxy-, disodium salt|1,3-Naphthalenedisulfonic acid, 8-[2-[3,3'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-7-hydroxy-, sodium salt (1:2)|Acid Leather Red BG|Acid Red 114|Amacid Milling Red PRS|Benzyl Fast Red BG|Benzyl Red BR|C.I. Acid Red 114, disodium salt|Cerven kysela 114|CI Acid Red 114|Dinacid Milling Red RG|EINECS 229-272-0|Elcacid Milling Fast Red RS|Erionyl Red RS|Fenafor Red PB|Folan Red B|Intrazone Red BR|Kayanol Milling Red RS|Leather Fast Red B|Levanol Red GG|Midlon Red PRS|Milling Fast Red B|Milling Red B|Milling Red BB|Milling Red SWB|NCI C61096|Polar Red RS|Sandolan Red N-RS|Sella Fast Red RS|Sulphonol Fast Red R|Sulphonol Red R|Suminol Milling Red RS|Supranol Fast Red 3G|Supranol Fast Red GG|Supranol Red PBX-CF|Supranol Red R|Telon Fast Red GG|Tertracid Milling Red B|Tetracid Milling Red B|Tetracid Milling Red G||471258-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021224 https://doi.org/10.22427/NTP-DATA-DTXSID8021224
ARPathway2016 ARPathway2016_1441 C.I. Acid Red 114 6459-94-5 DTXSID8021224 FLAG: Wrong direction shift (Hit/Hit) 0.0 R3 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C1)N=NC1=C(C)C=C(C=C1)C1=CC=C(N=NC2=C(O)C=CC3=CC(=CC(=C23)S([O-])(=O)=O)S([O-])(=O)=O)C(C)=C1 C.I. Acid Red 114 6459-94-5|C.I. Acid Red 114|1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxy-, disodium salt|1,3-Naphthalenedisulfonic acid, 8-[2-[3,3'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-7-hydroxy-, sodium salt (1:2)|Acid Leather Red BG|Acid Red 114|Amacid Milling Red PRS|Benzyl Fast Red BG|Benzyl Red BR|C.I. Acid Red 114, disodium salt|Cerven kysela 114|CI Acid Red 114|Dinacid Milling Red RG|EINECS 229-272-0|Elcacid Milling Fast Red RS|Erionyl Red RS|Fenafor Red PB|Folan Red B|Intrazone Red BR|Kayanol Milling Red RS|Leather Fast Red B|Levanol Red GG|Midlon Red PRS|Milling Fast Red B|Milling Red B|Milling Red BB|Milling Red SWB|NCI C61096|Polar Red RS|Sandolan Red N-RS|Sella Fast Red RS|Sulphonol Fast Red R|Sulphonol Red R|Suminol Milling Red RS|Supranol Fast Red 3G|Supranol Fast Red GG|Supranol Red PBX-CF|Supranol Red R|Telon Fast Red GG|Tertracid Milling Red B|Tetracid Milling Red B|Tetracid Milling Red G||471258-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021224 https://doi.org/10.22427/NTP-DATA-DTXSID8021224
ARPathway2016 ARPathway2016_1441 C.I. Acid Red 114 6459-94-5 DTXSID8021224 FLAG: Wrong direction shift (Hit/Hit) 0.0 R3 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C1)N=NC1=C(C)C=C(C=C1)C1=CC=C(N=NC2=C(O)C=CC3=CC(=CC(=C23)S([O-])(=O)=O)S([O-])(=O)=O)C(C)=C1 C.I. Acid Red 114 6459-94-5|C.I. Acid Red 114|1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxy-, disodium salt|1,3-Naphthalenedisulfonic acid, 8-[2-[3,3'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-7-hydroxy-, sodium salt (1:2)|Acid Leather Red BG|Acid Red 114|Amacid Milling Red PRS|Benzyl Fast Red BG|Benzyl Red BR|C.I. Acid Red 114, disodium salt|Cerven kysela 114|CI Acid Red 114|Dinacid Milling Red RG|EINECS 229-272-0|Elcacid Milling Fast Red RS|Erionyl Red RS|Fenafor Red PB|Folan Red B|Intrazone Red BR|Kayanol Milling Red RS|Leather Fast Red B|Levanol Red GG|Midlon Red PRS|Milling Fast Red B|Milling Red B|Milling Red BB|Milling Red SWB|NCI C61096|Polar Red RS|Sandolan Red N-RS|Sella Fast Red RS|Sulphonol Fast Red R|Sulphonol Red R|Suminol Milling Red RS|Supranol Fast Red 3G|Supranol Fast Red GG|Supranol Red PBX-CF|Supranol Red R|Telon Fast Red GG|Tertracid Milling Red B|Tetracid Milling Red B|Tetracid Milling Red G||471258-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021224 https://doi.org/10.22427/NTP-DATA-DTXSID8021224
ERPathway2016 ERPathway2016_107 C.I. Acid Red 114 6459-94-5 DTXSID8021224 ER Pathway Model, Agonist AC50 15.2957412586826 uM [Na+].[Na+].CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C1)N=NC1=C(C)C=C(C=C1)C1=CC=C(N=NC2=C(O)C=CC3=CC(=CC(=C23)S([O-])(=O)=O)S([O-])(=O)=O)C(C)=C1 C.I. Acid Red 114 6459-94-5|C.I. Acid Red 114|1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxy-, disodium salt|1,3-Naphthalenedisulfonic acid, 8-[2-[3,3'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-7-hydroxy-, sodium salt (1:2)|Acid Leather Red BG|Acid Red 114|Amacid Milling Red PRS|Benzyl Fast Red BG|Benzyl Red BR|C.I. Acid Red 114, disodium salt|Cerven kysela 114|CI Acid Red 114|Dinacid Milling Red RG|EINECS 229-272-0|Elcacid Milling Fast Red RS|Erionyl Red RS|Fenafor Red PB|Folan Red B|Intrazone Red BR|Kayanol Milling Red RS|Leather Fast Red B|Levanol Red GG|Midlon Red PRS|Milling Fast Red B|Milling Red B|Milling Red BB|Milling Red SWB|NCI C61096|Polar Red RS|Sandolan Red N-RS|Sella Fast Red RS|Sulphonol Fast Red R|Sulphonol Red R|Suminol Milling Red RS|Supranol Fast Red 3G|Supranol Fast Red GG|Supranol Red PBX-CF|Supranol Red R|Telon Fast Red GG|Tertracid Milling Red B|Tetracid Milling Red B|Tetracid Milling Red G||471258-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021224 https://doi.org/10.22427/NTP-DATA-DTXSID8021224
ERPathway2016 ERPathway2016_107 C.I. Acid Red 114 6459-94-5 DTXSID8021224 ER Pathway Model, Agonist ACC 6.24489113730482 uM [Na+].[Na+].CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C1)N=NC1=C(C)C=C(C=C1)C1=CC=C(N=NC2=C(O)C=CC3=CC(=CC(=C23)S([O-])(=O)=O)S([O-])(=O)=O)C(C)=C1 C.I. Acid Red 114 6459-94-5|C.I. Acid Red 114|1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxy-, disodium salt|1,3-Naphthalenedisulfonic acid, 8-[2-[3,3'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-7-hydroxy-, sodium salt (1:2)|Acid Leather Red BG|Acid Red 114|Amacid Milling Red PRS|Benzyl Fast Red BG|Benzyl Red BR|C.I. Acid Red 114, disodium salt|Cerven kysela 114|CI Acid Red 114|Dinacid Milling Red RG|EINECS 229-272-0|Elcacid Milling Fast Red RS|Erionyl Red RS|Fenafor Red PB|Folan Red B|Intrazone Red BR|Kayanol Milling Red RS|Leather Fast Red B|Levanol Red GG|Midlon Red PRS|Milling Fast Red B|Milling Red B|Milling Red BB|Milling Red SWB|NCI C61096|Polar Red RS|Sandolan Red N-RS|Sella Fast Red RS|Sulphonol Fast Red R|Sulphonol Red R|Suminol Milling Red RS|Supranol Fast Red 3G|Supranol Fast Red GG|Supranol Red PBX-CF|Supranol Red R|Telon Fast Red GG|Tertracid Milling Red B|Tetracid Milling Red B|Tetracid Milling Red G||471258-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021224 https://doi.org/10.22427/NTP-DATA-DTXSID8021224
ERPathway2016 ERPathway2016_107 C.I. Acid Red 114 6459-94-5 DTXSID8021224 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C1)N=NC1=C(C)C=C(C=C1)C1=CC=C(N=NC2=C(O)C=CC3=CC(=CC(=C23)S([O-])(=O)=O)S([O-])(=O)=O)C(C)=C1 C.I. Acid Red 114 6459-94-5|C.I. Acid Red 114|1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxy-, disodium salt|1,3-Naphthalenedisulfonic acid, 8-[2-[3,3'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-7-hydroxy-, sodium salt (1:2)|Acid Leather Red BG|Acid Red 114|Amacid Milling Red PRS|Benzyl Fast Red BG|Benzyl Red BR|C.I. Acid Red 114, disodium salt|Cerven kysela 114|CI Acid Red 114|Dinacid Milling Red RG|EINECS 229-272-0|Elcacid Milling Fast Red RS|Erionyl Red RS|Fenafor Red PB|Folan Red B|Intrazone Red BR|Kayanol Milling Red RS|Leather Fast Red B|Levanol Red GG|Midlon Red PRS|Milling Fast Red B|Milling Red B|Milling Red BB|Milling Red SWB|NCI C61096|Polar Red RS|Sandolan Red N-RS|Sella Fast Red RS|Sulphonol Fast Red R|Sulphonol Red R|Suminol Milling Red RS|Supranol Fast Red 3G|Supranol Fast Red GG|Supranol Red PBX-CF|Supranol Red R|Telon Fast Red GG|Tertracid Milling Red B|Tetracid Milling Red B|Tetracid Milling Red G||471258-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021224 https://doi.org/10.22427/NTP-DATA-DTXSID8021224
ERPathway2016 ERPathway2016_107 C.I. Acid Red 114 6459-94-5 DTXSID8021224 ER Pathway Model, Antagonist Model Score 0.0473 Unitless [Na+].[Na+].CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C1)N=NC1=C(C)C=C(C=C1)C1=CC=C(N=NC2=C(O)C=CC3=CC(=CC(=C23)S([O-])(=O)=O)S([O-])(=O)=O)C(C)=C1 C.I. Acid Red 114 6459-94-5|C.I. Acid Red 114|1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxy-, disodium salt|1,3-Naphthalenedisulfonic acid, 8-[2-[3,3'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-7-hydroxy-, sodium salt (1:2)|Acid Leather Red BG|Acid Red 114|Amacid Milling Red PRS|Benzyl Fast Red BG|Benzyl Red BR|C.I. Acid Red 114, disodium salt|Cerven kysela 114|CI Acid Red 114|Dinacid Milling Red RG|EINECS 229-272-0|Elcacid Milling Fast Red RS|Erionyl Red RS|Fenafor Red PB|Folan Red B|Intrazone Red BR|Kayanol Milling Red RS|Leather Fast Red B|Levanol Red GG|Midlon Red PRS|Milling Fast Red B|Milling Red B|Milling Red BB|Milling Red SWB|NCI C61096|Polar Red RS|Sandolan Red N-RS|Sella Fast Red RS|Sulphonol Fast Red R|Sulphonol Red R|Suminol Milling Red RS|Supranol Fast Red 3G|Supranol Fast Red GG|Supranol Red PBX-CF|Supranol Red R|Telon Fast Red GG|Tertracid Milling Red B|Tetracid Milling Red B|Tetracid Milling Red G||471258-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021224 https://doi.org/10.22427/NTP-DATA-DTXSID8021224
ERPathway2016 ERPathway2016_107 C.I. Acid Red 114 6459-94-5 DTXSID8021224 ER Pathway Model, Agonist Call Active Unitless [Na+].[Na+].CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C1)N=NC1=C(C)C=C(C=C1)C1=CC=C(N=NC2=C(O)C=CC3=CC(=CC(=C23)S([O-])(=O)=O)S([O-])(=O)=O)C(C)=C1 C.I. Acid Red 114 6459-94-5|C.I. Acid Red 114|1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxy-, disodium salt|1,3-Naphthalenedisulfonic acid, 8-[2-[3,3'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-7-hydroxy-, sodium salt (1:2)|Acid Leather Red BG|Acid Red 114|Amacid Milling Red PRS|Benzyl Fast Red BG|Benzyl Red BR|C.I. Acid Red 114, disodium salt|Cerven kysela 114|CI Acid Red 114|Dinacid Milling Red RG|EINECS 229-272-0|Elcacid Milling Fast Red RS|Erionyl Red RS|Fenafor Red PB|Folan Red B|Intrazone Red BR|Kayanol Milling Red RS|Leather Fast Red B|Levanol Red GG|Midlon Red PRS|Milling Fast Red B|Milling Red B|Milling Red BB|Milling Red SWB|NCI C61096|Polar Red RS|Sandolan Red N-RS|Sella Fast Red RS|Sulphonol Fast Red R|Sulphonol Red R|Suminol Milling Red RS|Supranol Fast Red 3G|Supranol Fast Red GG|Supranol Red PBX-CF|Supranol Red R|Telon Fast Red GG|Tertracid Milling Red B|Tetracid Milling Red B|Tetracid Milling Red G||471258-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021224 https://doi.org/10.22427/NTP-DATA-DTXSID8021224
ERPathway2016 ERPathway2016_107 C.I. Acid Red 114 6459-94-5 DTXSID8021224 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C1)N=NC1=C(C)C=C(C=C1)C1=CC=C(N=NC2=C(O)C=CC3=CC(=CC(=C23)S([O-])(=O)=O)S([O-])(=O)=O)C(C)=C1 C.I. Acid Red 114 6459-94-5|C.I. Acid Red 114|1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxy-, disodium salt|1,3-Naphthalenedisulfonic acid, 8-[2-[3,3'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-7-hydroxy-, sodium salt (1:2)|Acid Leather Red BG|Acid Red 114|Amacid Milling Red PRS|Benzyl Fast Red BG|Benzyl Red BR|C.I. Acid Red 114, disodium salt|Cerven kysela 114|CI Acid Red 114|Dinacid Milling Red RG|EINECS 229-272-0|Elcacid Milling Fast Red RS|Erionyl Red RS|Fenafor Red PB|Folan Red B|Intrazone Red BR|Kayanol Milling Red RS|Leather Fast Red B|Levanol Red GG|Midlon Red PRS|Milling Fast Red B|Milling Red B|Milling Red BB|Milling Red SWB|NCI C61096|Polar Red RS|Sandolan Red N-RS|Sella Fast Red RS|Sulphonol Fast Red R|Sulphonol Red R|Suminol Milling Red RS|Supranol Fast Red 3G|Supranol Fast Red GG|Supranol Red PBX-CF|Supranol Red R|Telon Fast Red GG|Tertracid Milling Red B|Tetracid Milling Red B|Tetracid Milling Red G||471258-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021224 https://doi.org/10.22427/NTP-DATA-DTXSID8021224
ARPathway2016 ARPathway2016_1458 C.I. Acid Violet 12, disodium salt 6625-46-3 DTXSID6041715 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].COC1=CC=CC=C1N=NC1=C(C=C2C=C(C=C(NC(C)=O)C2=C1O)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Violet 12, disodium salt 6625-46-3|C.I. Acid Violet 12, disodium salt|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[(2-methoxyphenyl)azo]-, disodium salt|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[2-(2-methoxyphenyl)diazenyl]-, sodium salt (1:2)|Acid Brilliant Red 2B|Acid Red R|Amido Brilliant Red BBA|Amido Naphthol Red A2B|Azo Brilliant Rhodine 4B|C.I. 18075|C.I. Acid Violet 12|Cetil Light Red BB|EINECS 229-584-7|Fenazo Red XB|Kiton Brilliant Carmine 2B|NSC 47711|Pontacyl Carmine 2B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041715
ARPathway2016 ARPathway2016_1458 C.I. Acid Violet 12, disodium salt 6625-46-3 DTXSID6041715 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].COC1=CC=CC=C1N=NC1=C(C=C2C=C(C=C(NC(C)=O)C2=C1O)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Violet 12, disodium salt 6625-46-3|C.I. Acid Violet 12, disodium salt|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[(2-methoxyphenyl)azo]-, disodium salt|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[2-(2-methoxyphenyl)diazenyl]-, sodium salt (1:2)|Acid Brilliant Red 2B|Acid Red R|Amido Brilliant Red BBA|Amido Naphthol Red A2B|Azo Brilliant Rhodine 4B|C.I. 18075|C.I. Acid Violet 12|Cetil Light Red BB|EINECS 229-584-7|Fenazo Red XB|Kiton Brilliant Carmine 2B|NSC 47711|Pontacyl Carmine 2B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041715
ARPathway2016 ARPathway2016_1458 C.I. Acid Violet 12, disodium salt 6625-46-3 DTXSID6041715 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].COC1=CC=CC=C1N=NC1=C(C=C2C=C(C=C(NC(C)=O)C2=C1O)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Violet 12, disodium salt 6625-46-3|C.I. Acid Violet 12, disodium salt|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[(2-methoxyphenyl)azo]-, disodium salt|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[2-(2-methoxyphenyl)diazenyl]-, sodium salt (1:2)|Acid Brilliant Red 2B|Acid Red R|Amido Brilliant Red BBA|Amido Naphthol Red A2B|Azo Brilliant Rhodine 4B|C.I. 18075|C.I. Acid Violet 12|Cetil Light Red BB|EINECS 229-584-7|Fenazo Red XB|Kiton Brilliant Carmine 2B|NSC 47711|Pontacyl Carmine 2B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041715
ARPathway2016 ARPathway2016_1458 C.I. Acid Violet 12, disodium salt 6625-46-3 DTXSID6041715 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].COC1=CC=CC=C1N=NC1=C(C=C2C=C(C=C(NC(C)=O)C2=C1O)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Violet 12, disodium salt 6625-46-3|C.I. Acid Violet 12, disodium salt|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[(2-methoxyphenyl)azo]-, disodium salt|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[2-(2-methoxyphenyl)diazenyl]-, sodium salt (1:2)|Acid Brilliant Red 2B|Acid Red R|Amido Brilliant Red BBA|Amido Naphthol Red A2B|Azo Brilliant Rhodine 4B|C.I. 18075|C.I. Acid Violet 12|Cetil Light Red BB|EINECS 229-584-7|Fenazo Red XB|Kiton Brilliant Carmine 2B|NSC 47711|Pontacyl Carmine 2B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041715
ERPathway2016 ERPathway2016_652 C.I. Acid Violet 12, disodium salt 6625-46-3 DTXSID6041715 A18 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].COC1=CC=CC=C1N=NC1=C(C=C2C=C(C=C(NC(C)=O)C2=C1O)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Violet 12, disodium salt 6625-46-3|C.I. Acid Violet 12, disodium salt|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[(2-methoxyphenyl)azo]-, disodium salt|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[2-(2-methoxyphenyl)diazenyl]-, sodium salt (1:2)|Acid Brilliant Red 2B|Acid Red R|Amido Brilliant Red BBA|Amido Naphthol Red A2B|Azo Brilliant Rhodine 4B|C.I. 18075|C.I. Acid Violet 12|Cetil Light Red BB|EINECS 229-584-7|Fenazo Red XB|Kiton Brilliant Carmine 2B|NSC 47711|Pontacyl Carmine 2B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041715
ERPathway2016 ERPathway2016_652 C.I. Acid Violet 12, disodium salt 6625-46-3 DTXSID6041715 A18 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].COC1=CC=CC=C1N=NC1=C(C=C2C=C(C=C(NC(C)=O)C2=C1O)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Violet 12, disodium salt 6625-46-3|C.I. Acid Violet 12, disodium salt|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[(2-methoxyphenyl)azo]-, disodium salt|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[2-(2-methoxyphenyl)diazenyl]-, sodium salt (1:2)|Acid Brilliant Red 2B|Acid Red R|Amido Brilliant Red BBA|Amido Naphthol Red A2B|Azo Brilliant Rhodine 4B|C.I. 18075|C.I. Acid Violet 12|Cetil Light Red BB|EINECS 229-584-7|Fenazo Red XB|Kiton Brilliant Carmine 2B|NSC 47711|Pontacyl Carmine 2B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041715
ERPathway2016 ERPathway2016_652 C.I. Acid Violet 12, disodium salt 6625-46-3 DTXSID6041715 A18 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].COC1=CC=CC=C1N=NC1=C(C=C2C=C(C=C(NC(C)=O)C2=C1O)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Violet 12, disodium salt 6625-46-3|C.I. Acid Violet 12, disodium salt|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[(2-methoxyphenyl)azo]-, disodium salt|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[2-(2-methoxyphenyl)diazenyl]-, sodium salt (1:2)|Acid Brilliant Red 2B|Acid Red R|Amido Brilliant Red BBA|Amido Naphthol Red A2B|Azo Brilliant Rhodine 4B|C.I. 18075|C.I. Acid Violet 12|Cetil Light Red BB|EINECS 229-584-7|Fenazo Red XB|Kiton Brilliant Carmine 2B|NSC 47711|Pontacyl Carmine 2B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041715
ERPathway2016 ERPathway2016_652 C.I. Acid Violet 12, disodium salt 6625-46-3 DTXSID6041715 A18 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].COC1=CC=CC=C1N=NC1=C(C=C2C=C(C=C(NC(C)=O)C2=C1O)S([O-])(=O)=O)S([O-])(=O)=O C.I. Acid Violet 12, disodium salt 6625-46-3|C.I. Acid Violet 12, disodium salt|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[(2-methoxyphenyl)azo]-, disodium salt|2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[2-(2-methoxyphenyl)diazenyl]-, sodium salt (1:2)|Acid Brilliant Red 2B|Acid Red R|Amido Brilliant Red BBA|Amido Naphthol Red A2B|Azo Brilliant Rhodine 4B|C.I. 18075|C.I. Acid Violet 12|Cetil Light Red BB|EINECS 229-584-7|Fenazo Red XB|Kiton Brilliant Carmine 2B|NSC 47711|Pontacyl Carmine 2B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041715
ARPathway2016 ARPathway2016_1429 C.I. Acid Yellow 11, sodium salt 6359-82-6 DTXSID5047451 0.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC1=NN(C(=O)C1N=NC1=CC=CC=C1)C1=CC=C(C=C1)S([O-])(=O)=O C.I. Acid Yellow 11, sodium salt 6359-82-6|C.I. Acid Yellow 11, sodium salt|4-(3-hydroxy-5-methyl-4-phenylazopyrazol-2-yl)benzenesulphonate|Acid Brilliant Yellow G|Acid Yellow 11|Acid Yellow 11, sodium salt|Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-, sodium salt|Benzenesulfonic acid, 4-[4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl]-, sodium salt (1:1)|C.I. Acid Yellow 11, sodium salt|EINECS 228-808-0|UNII-ED6O1DCO98|1007521-14-3|1089713-15-4|115133-45-4|1173011-33-0|1174554-58-5|1185242-62-9|35772-90-8|4692-37-9|642458-21-7|77107-21-2|84875-67-2|98249-01-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047451
ARPathway2016 ARPathway2016_1429 C.I. Acid Yellow 11, sodium salt 6359-82-6 DTXSID5047451 0.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CC1=NN(C(=O)C1N=NC1=CC=CC=C1)C1=CC=C(C=C1)S([O-])(=O)=O C.I. Acid Yellow 11, sodium salt 6359-82-6|C.I. Acid Yellow 11, sodium salt|4-(3-hydroxy-5-methyl-4-phenylazopyrazol-2-yl)benzenesulphonate|Acid Brilliant Yellow G|Acid Yellow 11|Acid Yellow 11, sodium salt|Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-, sodium salt|Benzenesulfonic acid, 4-[4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl]-, sodium salt (1:1)|C.I. Acid Yellow 11, sodium salt|EINECS 228-808-0|UNII-ED6O1DCO98|1007521-14-3|1089713-15-4|115133-45-4|1173011-33-0|1174554-58-5|1185242-62-9|35772-90-8|4692-37-9|642458-21-7|77107-21-2|84875-67-2|98249-01-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047451
ARPathway2016 ARPathway2016_1429 C.I. Acid Yellow 11, sodium salt 6359-82-6 DTXSID5047451 0.0 R5 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CC1=NN(C(=O)C1N=NC1=CC=CC=C1)C1=CC=C(C=C1)S([O-])(=O)=O C.I. Acid Yellow 11, sodium salt 6359-82-6|C.I. Acid Yellow 11, sodium salt|4-(3-hydroxy-5-methyl-4-phenylazopyrazol-2-yl)benzenesulphonate|Acid Brilliant Yellow G|Acid Yellow 11|Acid Yellow 11, sodium salt|Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-, sodium salt|Benzenesulfonic acid, 4-[4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl]-, sodium salt (1:1)|C.I. Acid Yellow 11, sodium salt|EINECS 228-808-0|UNII-ED6O1DCO98|1007521-14-3|1089713-15-4|115133-45-4|1173011-33-0|1174554-58-5|1185242-62-9|35772-90-8|4692-37-9|642458-21-7|77107-21-2|84875-67-2|98249-01-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047451
ARPathway2016 ARPathway2016_1429 C.I. Acid Yellow 11, sodium salt 6359-82-6 DTXSID5047451 0.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CC1=NN(C(=O)C1N=NC1=CC=CC=C1)C1=CC=C(C=C1)S([O-])(=O)=O C.I. Acid Yellow 11, sodium salt 6359-82-6|C.I. Acid Yellow 11, sodium salt|4-(3-hydroxy-5-methyl-4-phenylazopyrazol-2-yl)benzenesulphonate|Acid Brilliant Yellow G|Acid Yellow 11|Acid Yellow 11, sodium salt|Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-, sodium salt|Benzenesulfonic acid, 4-[4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl]-, sodium salt (1:1)|C.I. Acid Yellow 11, sodium salt|EINECS 228-808-0|UNII-ED6O1DCO98|1007521-14-3|1089713-15-4|115133-45-4|1173011-33-0|1174554-58-5|1185242-62-9|35772-90-8|4692-37-9|642458-21-7|77107-21-2|84875-67-2|98249-01-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047451
ERPathway2016 ERPathway2016_1588 C.I. Acid Yellow 11, sodium salt 6359-82-6 DTXSID5047451 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CC1=NN(C(=O)C1N=NC1=CC=CC=C1)C1=CC=C(C=C1)S([O-])(=O)=O C.I. Acid Yellow 11, sodium salt 6359-82-6|C.I. Acid Yellow 11, sodium salt|4-(3-hydroxy-5-methyl-4-phenylazopyrazol-2-yl)benzenesulphonate|Acid Brilliant Yellow G|Acid Yellow 11|Acid Yellow 11, sodium salt|Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-, sodium salt|Benzenesulfonic acid, 4-[4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl]-, sodium salt (1:1)|C.I. Acid Yellow 11, sodium salt|EINECS 228-808-0|UNII-ED6O1DCO98|1007521-14-3|1089713-15-4|115133-45-4|1173011-33-0|1174554-58-5|1185242-62-9|35772-90-8|4692-37-9|642458-21-7|77107-21-2|84875-67-2|98249-01-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047451
ERPathway2016 ERPathway2016_1588 C.I. Acid Yellow 11, sodium salt 6359-82-6 DTXSID5047451 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC1=NN(C(=O)C1N=NC1=CC=CC=C1)C1=CC=C(C=C1)S([O-])(=O)=O C.I. Acid Yellow 11, sodium salt 6359-82-6|C.I. Acid Yellow 11, sodium salt|4-(3-hydroxy-5-methyl-4-phenylazopyrazol-2-yl)benzenesulphonate|Acid Brilliant Yellow G|Acid Yellow 11|Acid Yellow 11, sodium salt|Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-, sodium salt|Benzenesulfonic acid, 4-[4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl]-, sodium salt (1:1)|C.I. Acid Yellow 11, sodium salt|EINECS 228-808-0|UNII-ED6O1DCO98|1007521-14-3|1089713-15-4|115133-45-4|1173011-33-0|1174554-58-5|1185242-62-9|35772-90-8|4692-37-9|642458-21-7|77107-21-2|84875-67-2|98249-01-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047451
ERPathway2016 ERPathway2016_1588 C.I. Acid Yellow 11, sodium salt 6359-82-6 DTXSID5047451 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CC1=NN(C(=O)C1N=NC1=CC=CC=C1)C1=CC=C(C=C1)S([O-])(=O)=O C.I. Acid Yellow 11, sodium salt 6359-82-6|C.I. Acid Yellow 11, sodium salt|4-(3-hydroxy-5-methyl-4-phenylazopyrazol-2-yl)benzenesulphonate|Acid Brilliant Yellow G|Acid Yellow 11|Acid Yellow 11, sodium salt|Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-, sodium salt|Benzenesulfonic acid, 4-[4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl]-, sodium salt (1:1)|C.I. Acid Yellow 11, sodium salt|EINECS 228-808-0|UNII-ED6O1DCO98|1007521-14-3|1089713-15-4|115133-45-4|1173011-33-0|1174554-58-5|1185242-62-9|35772-90-8|4692-37-9|642458-21-7|77107-21-2|84875-67-2|98249-01-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047451
ERPathway2016 ERPathway2016_1588 C.I. Acid Yellow 11, sodium salt 6359-82-6 DTXSID5047451 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CC1=NN(C(=O)C1N=NC1=CC=CC=C1)C1=CC=C(C=C1)S([O-])(=O)=O C.I. Acid Yellow 11, sodium salt 6359-82-6|C.I. Acid Yellow 11, sodium salt|4-(3-hydroxy-5-methyl-4-phenylazopyrazol-2-yl)benzenesulphonate|Acid Brilliant Yellow G|Acid Yellow 11|Acid Yellow 11, sodium salt|Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-, sodium salt|Benzenesulfonic acid, 4-[4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl]-, sodium salt (1:1)|C.I. Acid Yellow 11, sodium salt|EINECS 228-808-0|UNII-ED6O1DCO98|1007521-14-3|1089713-15-4|115133-45-4|1173011-33-0|1174554-58-5|1185242-62-9|35772-90-8|4692-37-9|642458-21-7|77107-21-2|84875-67-2|98249-01-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047451
ARPathway2016 ARPathway2016_1431 C.I. Acid Yellow 17, disodium salt 6359-98-4 DTXSID6041719 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].CC1=NN(C(=O)C1N=NC1=CC=C(C=C1)S([O-])(=O)=O)C1=CC(Cl)=C(C=C1Cl)S([O-])(=O)=O C.I. Acid Yellow 17, disodium salt 6359-98-4|C.I. Acid Yellow 17, disodium salt|1437 Yellow|228-819-0|Acid Leather Yellow 2GL|Acid Light Yellow 2G|Acid Yellow 17|Acidine Fast Yellow 2GD|Amacid Fast Light Yellow G|Amacid Light Yellow 2G|Apocid Light Yellow 2GX|Belacid Fast Light Yellow 2G|Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-4-((4-sulfophenyl)azo)-1H-pyrazol-1-yl)-, disodium salt|Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[(4-sulfophenyl)azo]-1H-pyrazol-1-yl]-, disodium salt|Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazol-1-yl]-, sodium salt (1:2)|Bucacid Light Yellow 2G|C.I. Acid Yellow 17|C.I. Food Yellow 5|C.I.18965|Calcocid Fast Yellow 2G|Cetil Light Yellow 2G|Disodium 2,5-dichloro-4-(5-hydroxy-3-methyl-4-(sulphophenylazo)pyrazol-1-yl)benzenesulphonate|EC No.: 228-819-0|EINECS 228-819-0|Erio Fast Flavine 3G|Erio Flavine 3G|Erio Flavine SX|Fast Light Yellow 2G|Fast Light Yellow 5GL|Fast Light Yellow 6GL|Fast Light Yellow G2X|Fast Light Yellow GGXN-CF|Fast Light Yellow Silk Spec|1071063-08-5|11130-36-2|1324-95-4|3791-68-2|442682-12-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041719
ARPathway2016 ARPathway2016_1431 C.I. Acid Yellow 17, disodium salt 6359-98-4 DTXSID6041719 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].CC1=NN(C(=O)C1N=NC1=CC=C(C=C1)S([O-])(=O)=O)C1=CC(Cl)=C(C=C1Cl)S([O-])(=O)=O C.I. Acid Yellow 17, disodium salt 6359-98-4|C.I. Acid Yellow 17, disodium salt|1437 Yellow|228-819-0|Acid Leather Yellow 2GL|Acid Light Yellow 2G|Acid Yellow 17|Acidine Fast Yellow 2GD|Amacid Fast Light Yellow G|Amacid Light Yellow 2G|Apocid Light Yellow 2GX|Belacid Fast Light Yellow 2G|Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-4-((4-sulfophenyl)azo)-1H-pyrazol-1-yl)-, disodium salt|Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[(4-sulfophenyl)azo]-1H-pyrazol-1-yl]-, disodium salt|Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazol-1-yl]-, sodium salt (1:2)|Bucacid Light Yellow 2G|C.I. Acid Yellow 17|C.I. Food Yellow 5|C.I.18965|Calcocid Fast Yellow 2G|Cetil Light Yellow 2G|Disodium 2,5-dichloro-4-(5-hydroxy-3-methyl-4-(sulphophenylazo)pyrazol-1-yl)benzenesulphonate|EC No.: 228-819-0|EINECS 228-819-0|Erio Fast Flavine 3G|Erio Flavine 3G|Erio Flavine SX|Fast Light Yellow 2G|Fast Light Yellow 5GL|Fast Light Yellow 6GL|Fast Light Yellow G2X|Fast Light Yellow GGXN-CF|Fast Light Yellow Silk Spec|1071063-08-5|11130-36-2|1324-95-4|3791-68-2|442682-12-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041719
ARPathway2016 ARPathway2016_1431 C.I. Acid Yellow 17, disodium salt 6359-98-4 DTXSID6041719 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].CC1=NN(C(=O)C1N=NC1=CC=C(C=C1)S([O-])(=O)=O)C1=CC(Cl)=C(C=C1Cl)S([O-])(=O)=O C.I. Acid Yellow 17, disodium salt 6359-98-4|C.I. Acid Yellow 17, disodium salt|1437 Yellow|228-819-0|Acid Leather Yellow 2GL|Acid Light Yellow 2G|Acid Yellow 17|Acidine Fast Yellow 2GD|Amacid Fast Light Yellow G|Amacid Light Yellow 2G|Apocid Light Yellow 2GX|Belacid Fast Light Yellow 2G|Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-4-((4-sulfophenyl)azo)-1H-pyrazol-1-yl)-, disodium salt|Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[(4-sulfophenyl)azo]-1H-pyrazol-1-yl]-, disodium salt|Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazol-1-yl]-, sodium salt (1:2)|Bucacid Light Yellow 2G|C.I. Acid Yellow 17|C.I. Food Yellow 5|C.I.18965|Calcocid Fast Yellow 2G|Cetil Light Yellow 2G|Disodium 2,5-dichloro-4-(5-hydroxy-3-methyl-4-(sulphophenylazo)pyrazol-1-yl)benzenesulphonate|EC No.: 228-819-0|EINECS 228-819-0|Erio Fast Flavine 3G|Erio Flavine 3G|Erio Flavine SX|Fast Light Yellow 2G|Fast Light Yellow 5GL|Fast Light Yellow 6GL|Fast Light Yellow G2X|Fast Light Yellow GGXN-CF|Fast Light Yellow Silk Spec|1071063-08-5|11130-36-2|1324-95-4|3791-68-2|442682-12-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041719
ARPathway2016 ARPathway2016_1431 C.I. Acid Yellow 17, disodium salt 6359-98-4 DTXSID6041719 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].CC1=NN(C(=O)C1N=NC1=CC=C(C=C1)S([O-])(=O)=O)C1=CC(Cl)=C(C=C1Cl)S([O-])(=O)=O C.I. Acid Yellow 17, disodium salt 6359-98-4|C.I. Acid Yellow 17, disodium salt|1437 Yellow|228-819-0|Acid Leather Yellow 2GL|Acid Light Yellow 2G|Acid Yellow 17|Acidine Fast Yellow 2GD|Amacid Fast Light Yellow G|Amacid Light Yellow 2G|Apocid Light Yellow 2GX|Belacid Fast Light Yellow 2G|Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-4-((4-sulfophenyl)azo)-1H-pyrazol-1-yl)-, disodium salt|Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[(4-sulfophenyl)azo]-1H-pyrazol-1-yl]-, disodium salt|Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazol-1-yl]-, sodium salt (1:2)|Bucacid Light Yellow 2G|C.I. Acid Yellow 17|C.I. Food Yellow 5|C.I.18965|Calcocid Fast Yellow 2G|Cetil Light Yellow 2G|Disodium 2,5-dichloro-4-(5-hydroxy-3-methyl-4-(sulphophenylazo)pyrazol-1-yl)benzenesulphonate|EC No.: 228-819-0|EINECS 228-819-0|Erio Fast Flavine 3G|Erio Flavine 3G|Erio Flavine SX|Fast Light Yellow 2G|Fast Light Yellow 5GL|Fast Light Yellow 6GL|Fast Light Yellow G2X|Fast Light Yellow GGXN-CF|Fast Light Yellow Silk Spec|1071063-08-5|11130-36-2|1324-95-4|3791-68-2|442682-12-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041719
ERPathway2016 ERPathway2016_1590 C.I. Acid Yellow 17, disodium salt 6359-98-4 DTXSID6041719 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].CC1=NN(C(=O)C1N=NC1=CC=C(C=C1)S([O-])(=O)=O)C1=CC(Cl)=C(C=C1Cl)S([O-])(=O)=O C.I. Acid Yellow 17, disodium salt 6359-98-4|C.I. Acid Yellow 17, disodium salt|1437 Yellow|228-819-0|Acid Leather Yellow 2GL|Acid Light Yellow 2G|Acid Yellow 17|Acidine Fast Yellow 2GD|Amacid Fast Light Yellow G|Amacid Light Yellow 2G|Apocid Light Yellow 2GX|Belacid Fast Light Yellow 2G|Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-4-((4-sulfophenyl)azo)-1H-pyrazol-1-yl)-, disodium salt|Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[(4-sulfophenyl)azo]-1H-pyrazol-1-yl]-, disodium salt|Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazol-1-yl]-, sodium salt (1:2)|Bucacid Light Yellow 2G|C.I. Acid Yellow 17|C.I. Food Yellow 5|C.I.18965|Calcocid Fast Yellow 2G|Cetil Light Yellow 2G|Disodium 2,5-dichloro-4-(5-hydroxy-3-methyl-4-(sulphophenylazo)pyrazol-1-yl)benzenesulphonate|EC No.: 228-819-0|EINECS 228-819-0|Erio Fast Flavine 3G|Erio Flavine 3G|Erio Flavine SX|Fast Light Yellow 2G|Fast Light Yellow 5GL|Fast Light Yellow 6GL|Fast Light Yellow G2X|Fast Light Yellow GGXN-CF|Fast Light Yellow Silk Spec|1071063-08-5|11130-36-2|1324-95-4|3791-68-2|442682-12-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041719
ERPathway2016 ERPathway2016_1590 C.I. Acid Yellow 17, disodium salt 6359-98-4 DTXSID6041719 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].CC1=NN(C(=O)C1N=NC1=CC=C(C=C1)S([O-])(=O)=O)C1=CC(Cl)=C(C=C1Cl)S([O-])(=O)=O C.I. Acid Yellow 17, disodium salt 6359-98-4|C.I. Acid Yellow 17, disodium salt|1437 Yellow|228-819-0|Acid Leather Yellow 2GL|Acid Light Yellow 2G|Acid Yellow 17|Acidine Fast Yellow 2GD|Amacid Fast Light Yellow G|Amacid Light Yellow 2G|Apocid Light Yellow 2GX|Belacid Fast Light Yellow 2G|Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-4-((4-sulfophenyl)azo)-1H-pyrazol-1-yl)-, disodium salt|Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[(4-sulfophenyl)azo]-1H-pyrazol-1-yl]-, disodium salt|Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazol-1-yl]-, sodium salt (1:2)|Bucacid Light Yellow 2G|C.I. Acid Yellow 17|C.I. Food Yellow 5|C.I.18965|Calcocid Fast Yellow 2G|Cetil Light Yellow 2G|Disodium 2,5-dichloro-4-(5-hydroxy-3-methyl-4-(sulphophenylazo)pyrazol-1-yl)benzenesulphonate|EC No.: 228-819-0|EINECS 228-819-0|Erio Fast Flavine 3G|Erio Flavine 3G|Erio Flavine SX|Fast Light Yellow 2G|Fast Light Yellow 5GL|Fast Light Yellow 6GL|Fast Light Yellow G2X|Fast Light Yellow GGXN-CF|Fast Light Yellow Silk Spec|1071063-08-5|11130-36-2|1324-95-4|3791-68-2|442682-12-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041719
ERPathway2016 ERPathway2016_1590 C.I. Acid Yellow 17, disodium salt 6359-98-4 DTXSID6041719 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].CC1=NN(C(=O)C1N=NC1=CC=C(C=C1)S([O-])(=O)=O)C1=CC(Cl)=C(C=C1Cl)S([O-])(=O)=O C.I. Acid Yellow 17, disodium salt 6359-98-4|C.I. Acid Yellow 17, disodium salt|1437 Yellow|228-819-0|Acid Leather Yellow 2GL|Acid Light Yellow 2G|Acid Yellow 17|Acidine Fast Yellow 2GD|Amacid Fast Light Yellow G|Amacid Light Yellow 2G|Apocid Light Yellow 2GX|Belacid Fast Light Yellow 2G|Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-4-((4-sulfophenyl)azo)-1H-pyrazol-1-yl)-, disodium salt|Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[(4-sulfophenyl)azo]-1H-pyrazol-1-yl]-, disodium salt|Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazol-1-yl]-, sodium salt (1:2)|Bucacid Light Yellow 2G|C.I. Acid Yellow 17|C.I. Food Yellow 5|C.I.18965|Calcocid Fast Yellow 2G|Cetil Light Yellow 2G|Disodium 2,5-dichloro-4-(5-hydroxy-3-methyl-4-(sulphophenylazo)pyrazol-1-yl)benzenesulphonate|EC No.: 228-819-0|EINECS 228-819-0|Erio Fast Flavine 3G|Erio Flavine 3G|Erio Flavine SX|Fast Light Yellow 2G|Fast Light Yellow 5GL|Fast Light Yellow 6GL|Fast Light Yellow G2X|Fast Light Yellow GGXN-CF|Fast Light Yellow Silk Spec|1071063-08-5|11130-36-2|1324-95-4|3791-68-2|442682-12-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041719
ERPathway2016 ERPathway2016_1590 C.I. Acid Yellow 17, disodium salt 6359-98-4 DTXSID6041719 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].CC1=NN(C(=O)C1N=NC1=CC=C(C=C1)S([O-])(=O)=O)C1=CC(Cl)=C(C=C1Cl)S([O-])(=O)=O C.I. Acid Yellow 17, disodium salt 6359-98-4|C.I. Acid Yellow 17, disodium salt|1437 Yellow|228-819-0|Acid Leather Yellow 2GL|Acid Light Yellow 2G|Acid Yellow 17|Acidine Fast Yellow 2GD|Amacid Fast Light Yellow G|Amacid Light Yellow 2G|Apocid Light Yellow 2GX|Belacid Fast Light Yellow 2G|Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-4-((4-sulfophenyl)azo)-1H-pyrazol-1-yl)-, disodium salt|Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[(4-sulfophenyl)azo]-1H-pyrazol-1-yl]-, disodium salt|Benzenesulfonic acid, 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazol-1-yl]-, sodium salt (1:2)|Bucacid Light Yellow 2G|C.I. Acid Yellow 17|C.I. Food Yellow 5|C.I.18965|Calcocid Fast Yellow 2G|Cetil Light Yellow 2G|Disodium 2,5-dichloro-4-(5-hydroxy-3-methyl-4-(sulphophenylazo)pyrazol-1-yl)benzenesulphonate|EC No.: 228-819-0|EINECS 228-819-0|Erio Fast Flavine 3G|Erio Flavine 3G|Erio Flavine SX|Fast Light Yellow 2G|Fast Light Yellow 5GL|Fast Light Yellow 6GL|Fast Light Yellow G2X|Fast Light Yellow GGXN-CF|Fast Light Yellow Silk Spec|1071063-08-5|11130-36-2|1324-95-4|3791-68-2|442682-12-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041719
ARPathway2016 ARPathway2016_966 C.I. Acid Yellow 23 1934-21-0 DTXSID1021455 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].[Na+].[O-]C(=O)C1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(=O)N(N1)C1=CC=C(C=C1)S([O-])(=O)=O C.I. Acid Yellow 23 1934-21-0|C.I. Acid Yellow 23|1-(4-SULFOPHENYL)-3-CARBOXY-4-(4- SULFOPHENYL)AZO-5-PYRAZOLONE, TRISODIUM SALT|1-(4-Sulfophenyl)-4-((4-sulfophenyl)azo)-1H-pyrazole-3-carboxylic|1310 Yellow|1409 Yellow|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, trisodium salt|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(sulfophenyl)azo]-, trisodium salt|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3)|3-Carboxy-5-hydroxy-1-p-sulfophenyl-4-p-sulfophenylazopyrazole trisodium salt|4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid, trisodium salt|5-hidroxi-1-(4-sulfofenil)-4-(4-sulfofenilazo)pirazol-3-carboxilato de trisodio|5-Hydroxy-1-(4-sulfophenyl)-4-(4-sulfophenylazo)pyrazole-3-carboxylate de trisodium|5-Hydroxy-1-p-sulfophenyl-4-(p-sulfophenylazo)pyrazole-3-carboxylic acid, trisodium salt|A.F. Yellow No. 4|A.F. Yellow No.4|Acid Leather Yellow T|Acid Yellow 23|Acid Yellow N|Acid|117209-34-4|12000-64-5|1342-47-8|1342-53-6|134240-82-7|139601-06-2|154881-98-8|183808-13-1|191807-79-1|389057-90-3|469888-21-9|50809-64-8|642-62-6|84842-94-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021455
ARPathway2016 ARPathway2016_966 C.I. Acid Yellow 23 1934-21-0 DTXSID1021455 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].[Na+].[O-]C(=O)C1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(=O)N(N1)C1=CC=C(C=C1)S([O-])(=O)=O C.I. Acid Yellow 23 1934-21-0|C.I. Acid Yellow 23|1-(4-SULFOPHENYL)-3-CARBOXY-4-(4- SULFOPHENYL)AZO-5-PYRAZOLONE, TRISODIUM SALT|1-(4-Sulfophenyl)-4-((4-sulfophenyl)azo)-1H-pyrazole-3-carboxylic|1310 Yellow|1409 Yellow|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, trisodium salt|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(sulfophenyl)azo]-, trisodium salt|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3)|3-Carboxy-5-hydroxy-1-p-sulfophenyl-4-p-sulfophenylazopyrazole trisodium salt|4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid, trisodium salt|5-hidroxi-1-(4-sulfofenil)-4-(4-sulfofenilazo)pirazol-3-carboxilato de trisodio|5-Hydroxy-1-(4-sulfophenyl)-4-(4-sulfophenylazo)pyrazole-3-carboxylate de trisodium|5-Hydroxy-1-p-sulfophenyl-4-(p-sulfophenylazo)pyrazole-3-carboxylic acid, trisodium salt|A.F. Yellow No. 4|A.F. Yellow No.4|Acid Leather Yellow T|Acid Yellow 23|Acid Yellow N|Acid|117209-34-4|12000-64-5|1342-47-8|1342-53-6|134240-82-7|139601-06-2|154881-98-8|183808-13-1|191807-79-1|389057-90-3|469888-21-9|50809-64-8|642-62-6|84842-94-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021455
ARPathway2016 ARPathway2016_966 C.I. Acid Yellow 23 1934-21-0 DTXSID1021455 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].[Na+].[O-]C(=O)C1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(=O)N(N1)C1=CC=C(C=C1)S([O-])(=O)=O C.I. Acid Yellow 23 1934-21-0|C.I. Acid Yellow 23|1-(4-SULFOPHENYL)-3-CARBOXY-4-(4- SULFOPHENYL)AZO-5-PYRAZOLONE, TRISODIUM SALT|1-(4-Sulfophenyl)-4-((4-sulfophenyl)azo)-1H-pyrazole-3-carboxylic|1310 Yellow|1409 Yellow|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, trisodium salt|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(sulfophenyl)azo]-, trisodium salt|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3)|3-Carboxy-5-hydroxy-1-p-sulfophenyl-4-p-sulfophenylazopyrazole trisodium salt|4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid, trisodium salt|5-hidroxi-1-(4-sulfofenil)-4-(4-sulfofenilazo)pirazol-3-carboxilato de trisodio|5-Hydroxy-1-(4-sulfophenyl)-4-(4-sulfophenylazo)pyrazole-3-carboxylate de trisodium|5-Hydroxy-1-p-sulfophenyl-4-(p-sulfophenylazo)pyrazole-3-carboxylic acid, trisodium salt|A.F. Yellow No. 4|A.F. Yellow No.4|Acid Leather Yellow T|Acid Yellow 23|Acid Yellow N|Acid|117209-34-4|12000-64-5|1342-47-8|1342-53-6|134240-82-7|139601-06-2|154881-98-8|183808-13-1|191807-79-1|389057-90-3|469888-21-9|50809-64-8|642-62-6|84842-94-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021455
ARPathway2016 ARPathway2016_966 C.I. Acid Yellow 23 1934-21-0 DTXSID1021455 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].[Na+].[O-]C(=O)C1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(=O)N(N1)C1=CC=C(C=C1)S([O-])(=O)=O C.I. Acid Yellow 23 1934-21-0|C.I. Acid Yellow 23|1-(4-SULFOPHENYL)-3-CARBOXY-4-(4- SULFOPHENYL)AZO-5-PYRAZOLONE, TRISODIUM SALT|1-(4-Sulfophenyl)-4-((4-sulfophenyl)azo)-1H-pyrazole-3-carboxylic|1310 Yellow|1409 Yellow|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, trisodium salt|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(sulfophenyl)azo]-, trisodium salt|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3)|3-Carboxy-5-hydroxy-1-p-sulfophenyl-4-p-sulfophenylazopyrazole trisodium salt|4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid, trisodium salt|5-hidroxi-1-(4-sulfofenil)-4-(4-sulfofenilazo)pirazol-3-carboxilato de trisodio|5-Hydroxy-1-(4-sulfophenyl)-4-(4-sulfophenylazo)pyrazole-3-carboxylate de trisodium|5-Hydroxy-1-p-sulfophenyl-4-(p-sulfophenylazo)pyrazole-3-carboxylic acid, trisodium salt|A.F. Yellow No. 4|A.F. Yellow No.4|Acid Leather Yellow T|Acid Yellow 23|Acid Yellow N|Acid|117209-34-4|12000-64-5|1342-47-8|1342-53-6|134240-82-7|139601-06-2|154881-98-8|183808-13-1|191807-79-1|389057-90-3|469888-21-9|50809-64-8|642-62-6|84842-94-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021455
ERPathway2016 ERPathway2016_1364 C.I. Acid Yellow 23 1934-21-0 DTXSID1021455 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].[Na+].[O-]C(=O)C1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(=O)N(N1)C1=CC=C(C=C1)S([O-])(=O)=O C.I. Acid Yellow 23 1934-21-0|C.I. Acid Yellow 23|1-(4-SULFOPHENYL)-3-CARBOXY-4-(4- SULFOPHENYL)AZO-5-PYRAZOLONE, TRISODIUM SALT|1-(4-Sulfophenyl)-4-((4-sulfophenyl)azo)-1H-pyrazole-3-carboxylic|1310 Yellow|1409 Yellow|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, trisodium salt|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(sulfophenyl)azo]-, trisodium salt|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3)|3-Carboxy-5-hydroxy-1-p-sulfophenyl-4-p-sulfophenylazopyrazole trisodium salt|4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid, trisodium salt|5-hidroxi-1-(4-sulfofenil)-4-(4-sulfofenilazo)pirazol-3-carboxilato de trisodio|5-Hydroxy-1-(4-sulfophenyl)-4-(4-sulfophenylazo)pyrazole-3-carboxylate de trisodium|5-Hydroxy-1-p-sulfophenyl-4-(p-sulfophenylazo)pyrazole-3-carboxylic acid, trisodium salt|A.F. Yellow No. 4|A.F. Yellow No.4|Acid Leather Yellow T|Acid Yellow 23|Acid Yellow N|Acid|117209-34-4|12000-64-5|1342-47-8|1342-53-6|134240-82-7|139601-06-2|154881-98-8|183808-13-1|191807-79-1|389057-90-3|469888-21-9|50809-64-8|642-62-6|84842-94-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021455
ERPathway2016 ERPathway2016_1364 C.I. Acid Yellow 23 1934-21-0 DTXSID1021455 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].[Na+].[O-]C(=O)C1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(=O)N(N1)C1=CC=C(C=C1)S([O-])(=O)=O C.I. Acid Yellow 23 1934-21-0|C.I. Acid Yellow 23|1-(4-SULFOPHENYL)-3-CARBOXY-4-(4- SULFOPHENYL)AZO-5-PYRAZOLONE, TRISODIUM SALT|1-(4-Sulfophenyl)-4-((4-sulfophenyl)azo)-1H-pyrazole-3-carboxylic|1310 Yellow|1409 Yellow|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, trisodium salt|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(sulfophenyl)azo]-, trisodium salt|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3)|3-Carboxy-5-hydroxy-1-p-sulfophenyl-4-p-sulfophenylazopyrazole trisodium salt|4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid, trisodium salt|5-hidroxi-1-(4-sulfofenil)-4-(4-sulfofenilazo)pirazol-3-carboxilato de trisodio|5-Hydroxy-1-(4-sulfophenyl)-4-(4-sulfophenylazo)pyrazole-3-carboxylate de trisodium|5-Hydroxy-1-p-sulfophenyl-4-(p-sulfophenylazo)pyrazole-3-carboxylic acid, trisodium salt|A.F. Yellow No. 4|A.F. Yellow No.4|Acid Leather Yellow T|Acid Yellow 23|Acid Yellow N|Acid|117209-34-4|12000-64-5|1342-47-8|1342-53-6|134240-82-7|139601-06-2|154881-98-8|183808-13-1|191807-79-1|389057-90-3|469888-21-9|50809-64-8|642-62-6|84842-94-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021455
ERPathway2016 ERPathway2016_1364 C.I. Acid Yellow 23 1934-21-0 DTXSID1021455 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].[Na+].[O-]C(=O)C1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(=O)N(N1)C1=CC=C(C=C1)S([O-])(=O)=O C.I. Acid Yellow 23 1934-21-0|C.I. Acid Yellow 23|1-(4-SULFOPHENYL)-3-CARBOXY-4-(4- SULFOPHENYL)AZO-5-PYRAZOLONE, TRISODIUM SALT|1-(4-Sulfophenyl)-4-((4-sulfophenyl)azo)-1H-pyrazole-3-carboxylic|1310 Yellow|1409 Yellow|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, trisodium salt|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(sulfophenyl)azo]-, trisodium salt|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3)|3-Carboxy-5-hydroxy-1-p-sulfophenyl-4-p-sulfophenylazopyrazole trisodium salt|4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid, trisodium salt|5-hidroxi-1-(4-sulfofenil)-4-(4-sulfofenilazo)pirazol-3-carboxilato de trisodio|5-Hydroxy-1-(4-sulfophenyl)-4-(4-sulfophenylazo)pyrazole-3-carboxylate de trisodium|5-Hydroxy-1-p-sulfophenyl-4-(p-sulfophenylazo)pyrazole-3-carboxylic acid, trisodium salt|A.F. Yellow No. 4|A.F. Yellow No.4|Acid Leather Yellow T|Acid Yellow 23|Acid Yellow N|Acid|117209-34-4|12000-64-5|1342-47-8|1342-53-6|134240-82-7|139601-06-2|154881-98-8|183808-13-1|191807-79-1|389057-90-3|469888-21-9|50809-64-8|642-62-6|84842-94-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021455
ERPathway2016 ERPathway2016_1364 C.I. Acid Yellow 23 1934-21-0 DTXSID1021455 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].[Na+].[O-]C(=O)C1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(=O)N(N1)C1=CC=C(C=C1)S([O-])(=O)=O C.I. Acid Yellow 23 1934-21-0|C.I. Acid Yellow 23|1-(4-SULFOPHENYL)-3-CARBOXY-4-(4- SULFOPHENYL)AZO-5-PYRAZOLONE, TRISODIUM SALT|1-(4-Sulfophenyl)-4-((4-sulfophenyl)azo)-1H-pyrazole-3-carboxylic|1310 Yellow|1409 Yellow|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, trisodium salt|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(sulfophenyl)azo]-, trisodium salt|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3)|3-Carboxy-5-hydroxy-1-p-sulfophenyl-4-p-sulfophenylazopyrazole trisodium salt|4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid, trisodium salt|5-hidroxi-1-(4-sulfofenil)-4-(4-sulfofenilazo)pirazol-3-carboxilato de trisodio|5-Hydroxy-1-(4-sulfophenyl)-4-(4-sulfophenylazo)pyrazole-3-carboxylate de trisodium|5-Hydroxy-1-p-sulfophenyl-4-(p-sulfophenylazo)pyrazole-3-carboxylic acid, trisodium salt|A.F. Yellow No. 4|A.F. Yellow No.4|Acid Leather Yellow T|Acid Yellow 23|Acid Yellow N|Acid|117209-34-4|12000-64-5|1342-47-8|1342-53-6|134240-82-7|139601-06-2|154881-98-8|183808-13-1|191807-79-1|389057-90-3|469888-21-9|50809-64-8|642-62-6|84842-94-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021455
ARPathway2016 ARPathway2016_1595 C.I. Acid Yellow 3 disodium salt 8004-92-0 DTXSID0041721 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C.I. Acid Yellow 3 disodium salt 8004-92-0|C.I. Acid Yellow 3 disodium salt|1,3-Isobenzofurandione, reaction products with methylquinoline and quinoline, sulfonated|2-(2-Quinolyl)-1,3-indandione disulfonic acid disodium salt|ACID QUINOLINE YELLOW WS|Acid Yellow 3|Acid Yellow QS|Anhydride phtalique, produits de reaction avec la methylquinoline et la quinoline sulfurises|Basacid Yellow 094|Basovit Yellow 095E|C.I. 47005|C.I. acid yellow 003|C.I. Acid Yellow 3|C.I. Acid Yellow 4|C.I. Food Yellow 13|Chinogelb|Chinogelb Extra|Chinogelb wasserloeslich|Cogilor Yellow 112.12|D & C YELLOW 10|D & C Yellow No. 10|D and C Yellow No. 10|D&C Yellow No. 10|D&C Yellow No. 10-307007|D&C Yellow No. 10-38009|D&C Yellow No. 10-38012|D&C Yellow No. 10-90125|D&C Yellow No. 10HWS307010|D&C Yellow No. 10W074|Dye Quinoline Yellow|Eurocert Quinoline Yellow 311744|FD and C Yellow No. 10|FD&C Yellow No. 10|Food Yellow 13|Food Yellow No. 13|Japan Yellow 203|Jaune de quinoleine|Lemon Yellow ZN 3|Neelicol Quinoline Yellow WS|Quinidine Yellow KT|Quinoline Yellow 36012|Quinoline Yellow 38009|Quinoline Yellow 90125|Q|12000-69-0|12124-89-9|39354-67-1|65721-84-8|83711-72-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041721
ARPathway2016 ARPathway2016_1595 C.I. Acid Yellow 3 disodium salt 8004-92-0 DTXSID0041721 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C.I. Acid Yellow 3 disodium salt 8004-92-0|C.I. Acid Yellow 3 disodium salt|1,3-Isobenzofurandione, reaction products with methylquinoline and quinoline, sulfonated|2-(2-Quinolyl)-1,3-indandione disulfonic acid disodium salt|ACID QUINOLINE YELLOW WS|Acid Yellow 3|Acid Yellow QS|Anhydride phtalique, produits de reaction avec la methylquinoline et la quinoline sulfurises|Basacid Yellow 094|Basovit Yellow 095E|C.I. 47005|C.I. acid yellow 003|C.I. Acid Yellow 3|C.I. Acid Yellow 4|C.I. Food Yellow 13|Chinogelb|Chinogelb Extra|Chinogelb wasserloeslich|Cogilor Yellow 112.12|D & C YELLOW 10|D & C Yellow No. 10|D and C Yellow No. 10|D&C Yellow No. 10|D&C Yellow No. 10-307007|D&C Yellow No. 10-38009|D&C Yellow No. 10-38012|D&C Yellow No. 10-90125|D&C Yellow No. 10HWS307010|D&C Yellow No. 10W074|Dye Quinoline Yellow|Eurocert Quinoline Yellow 311744|FD and C Yellow No. 10|FD&C Yellow No. 10|Food Yellow 13|Food Yellow No. 13|Japan Yellow 203|Jaune de quinoleine|Lemon Yellow ZN 3|Neelicol Quinoline Yellow WS|Quinidine Yellow KT|Quinoline Yellow 36012|Quinoline Yellow 38009|Quinoline Yellow 90125|Q|12000-69-0|12124-89-9|39354-67-1|65721-84-8|83711-72-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041721
ARPathway2016 ARPathway2016_1595 C.I. Acid Yellow 3 disodium salt 8004-92-0 DTXSID0041721 0.0 AR Pathway Model, Agonist Call Inactive Unitless C.I. Acid Yellow 3 disodium salt 8004-92-0|C.I. Acid Yellow 3 disodium salt|1,3-Isobenzofurandione, reaction products with methylquinoline and quinoline, sulfonated|2-(2-Quinolyl)-1,3-indandione disulfonic acid disodium salt|ACID QUINOLINE YELLOW WS|Acid Yellow 3|Acid Yellow QS|Anhydride phtalique, produits de reaction avec la methylquinoline et la quinoline sulfurises|Basacid Yellow 094|Basovit Yellow 095E|C.I. 47005|C.I. acid yellow 003|C.I. Acid Yellow 3|C.I. Acid Yellow 4|C.I. Food Yellow 13|Chinogelb|Chinogelb Extra|Chinogelb wasserloeslich|Cogilor Yellow 112.12|D & C YELLOW 10|D & C Yellow No. 10|D and C Yellow No. 10|D&C Yellow No. 10|D&C Yellow No. 10-307007|D&C Yellow No. 10-38009|D&C Yellow No. 10-38012|D&C Yellow No. 10-90125|D&C Yellow No. 10HWS307010|D&C Yellow No. 10W074|Dye Quinoline Yellow|Eurocert Quinoline Yellow 311744|FD and C Yellow No. 10|FD&C Yellow No. 10|Food Yellow 13|Food Yellow No. 13|Japan Yellow 203|Jaune de quinoleine|Lemon Yellow ZN 3|Neelicol Quinoline Yellow WS|Quinidine Yellow KT|Quinoline Yellow 36012|Quinoline Yellow 38009|Quinoline Yellow 90125|Q|12000-69-0|12124-89-9|39354-67-1|65721-84-8|83711-72-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041721
ARPathway2016 ARPathway2016_1595 C.I. Acid Yellow 3 disodium salt 8004-92-0 DTXSID0041721 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C.I. Acid Yellow 3 disodium salt 8004-92-0|C.I. Acid Yellow 3 disodium salt|1,3-Isobenzofurandione, reaction products with methylquinoline and quinoline, sulfonated|2-(2-Quinolyl)-1,3-indandione disulfonic acid disodium salt|ACID QUINOLINE YELLOW WS|Acid Yellow 3|Acid Yellow QS|Anhydride phtalique, produits de reaction avec la methylquinoline et la quinoline sulfurises|Basacid Yellow 094|Basovit Yellow 095E|C.I. 47005|C.I. acid yellow 003|C.I. Acid Yellow 3|C.I. Acid Yellow 4|C.I. Food Yellow 13|Chinogelb|Chinogelb Extra|Chinogelb wasserloeslich|Cogilor Yellow 112.12|D & C YELLOW 10|D & C Yellow No. 10|D and C Yellow No. 10|D&C Yellow No. 10|D&C Yellow No. 10-307007|D&C Yellow No. 10-38009|D&C Yellow No. 10-38012|D&C Yellow No. 10-90125|D&C Yellow No. 10HWS307010|D&C Yellow No. 10W074|Dye Quinoline Yellow|Eurocert Quinoline Yellow 311744|FD and C Yellow No. 10|FD&C Yellow No. 10|Food Yellow 13|Food Yellow No. 13|Japan Yellow 203|Jaune de quinoleine|Lemon Yellow ZN 3|Neelicol Quinoline Yellow WS|Quinidine Yellow KT|Quinoline Yellow 36012|Quinoline Yellow 38009|Quinoline Yellow 90125|Q|12000-69-0|12124-89-9|39354-67-1|65721-84-8|83711-72-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041721
ERPathway2016 ERPathway2016_1679 C.I. Acid Yellow 3 disodium salt 8004-92-0 DTXSID0041721 ER Pathway Model, Agonist Model Score 0 Unitless C.I. Acid Yellow 3 disodium salt 8004-92-0|C.I. Acid Yellow 3 disodium salt|1,3-Isobenzofurandione, reaction products with methylquinoline and quinoline, sulfonated|2-(2-Quinolyl)-1,3-indandione disulfonic acid disodium salt|ACID QUINOLINE YELLOW WS|Acid Yellow 3|Acid Yellow QS|Anhydride phtalique, produits de reaction avec la methylquinoline et la quinoline sulfurises|Basacid Yellow 094|Basovit Yellow 095E|C.I. 47005|C.I. acid yellow 003|C.I. Acid Yellow 3|C.I. Acid Yellow 4|C.I. Food Yellow 13|Chinogelb|Chinogelb Extra|Chinogelb wasserloeslich|Cogilor Yellow 112.12|D & C YELLOW 10|D & C Yellow No. 10|D and C Yellow No. 10|D&C Yellow No. 10|D&C Yellow No. 10-307007|D&C Yellow No. 10-38009|D&C Yellow No. 10-38012|D&C Yellow No. 10-90125|D&C Yellow No. 10HWS307010|D&C Yellow No. 10W074|Dye Quinoline Yellow|Eurocert Quinoline Yellow 311744|FD and C Yellow No. 10|FD&C Yellow No. 10|Food Yellow 13|Food Yellow No. 13|Japan Yellow 203|Jaune de quinoleine|Lemon Yellow ZN 3|Neelicol Quinoline Yellow WS|Quinidine Yellow KT|Quinoline Yellow 36012|Quinoline Yellow 38009|Quinoline Yellow 90125|Q|12000-69-0|12124-89-9|39354-67-1|65721-84-8|83711-72-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041721
ERPathway2016 ERPathway2016_1679 C.I. Acid Yellow 3 disodium salt 8004-92-0 DTXSID0041721 ER Pathway Model, Antagonist Model Score 0 Unitless C.I. Acid Yellow 3 disodium salt 8004-92-0|C.I. Acid Yellow 3 disodium salt|1,3-Isobenzofurandione, reaction products with methylquinoline and quinoline, sulfonated|2-(2-Quinolyl)-1,3-indandione disulfonic acid disodium salt|ACID QUINOLINE YELLOW WS|Acid Yellow 3|Acid Yellow QS|Anhydride phtalique, produits de reaction avec la methylquinoline et la quinoline sulfurises|Basacid Yellow 094|Basovit Yellow 095E|C.I. 47005|C.I. acid yellow 003|C.I. Acid Yellow 3|C.I. Acid Yellow 4|C.I. Food Yellow 13|Chinogelb|Chinogelb Extra|Chinogelb wasserloeslich|Cogilor Yellow 112.12|D & C YELLOW 10|D & C Yellow No. 10|D and C Yellow No. 10|D&C Yellow No. 10|D&C Yellow No. 10-307007|D&C Yellow No. 10-38009|D&C Yellow No. 10-38012|D&C Yellow No. 10-90125|D&C Yellow No. 10HWS307010|D&C Yellow No. 10W074|Dye Quinoline Yellow|Eurocert Quinoline Yellow 311744|FD and C Yellow No. 10|FD&C Yellow No. 10|Food Yellow 13|Food Yellow No. 13|Japan Yellow 203|Jaune de quinoleine|Lemon Yellow ZN 3|Neelicol Quinoline Yellow WS|Quinidine Yellow KT|Quinoline Yellow 36012|Quinoline Yellow 38009|Quinoline Yellow 90125|Q|12000-69-0|12124-89-9|39354-67-1|65721-84-8|83711-72-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041721
ERPathway2016 ERPathway2016_1679 C.I. Acid Yellow 3 disodium salt 8004-92-0 DTXSID0041721 ER Pathway Model, Agonist Call Inactive Unitless C.I. Acid Yellow 3 disodium salt 8004-92-0|C.I. Acid Yellow 3 disodium salt|1,3-Isobenzofurandione, reaction products with methylquinoline and quinoline, sulfonated|2-(2-Quinolyl)-1,3-indandione disulfonic acid disodium salt|ACID QUINOLINE YELLOW WS|Acid Yellow 3|Acid Yellow QS|Anhydride phtalique, produits de reaction avec la methylquinoline et la quinoline sulfurises|Basacid Yellow 094|Basovit Yellow 095E|C.I. 47005|C.I. acid yellow 003|C.I. Acid Yellow 3|C.I. Acid Yellow 4|C.I. Food Yellow 13|Chinogelb|Chinogelb Extra|Chinogelb wasserloeslich|Cogilor Yellow 112.12|D & C YELLOW 10|D & C Yellow No. 10|D and C Yellow No. 10|D&C Yellow No. 10|D&C Yellow No. 10-307007|D&C Yellow No. 10-38009|D&C Yellow No. 10-38012|D&C Yellow No. 10-90125|D&C Yellow No. 10HWS307010|D&C Yellow No. 10W074|Dye Quinoline Yellow|Eurocert Quinoline Yellow 311744|FD and C Yellow No. 10|FD&C Yellow No. 10|Food Yellow 13|Food Yellow No. 13|Japan Yellow 203|Jaune de quinoleine|Lemon Yellow ZN 3|Neelicol Quinoline Yellow WS|Quinidine Yellow KT|Quinoline Yellow 36012|Quinoline Yellow 38009|Quinoline Yellow 90125|Q|12000-69-0|12124-89-9|39354-67-1|65721-84-8|83711-72-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041721
ERPathway2016 ERPathway2016_1679 C.I. Acid Yellow 3 disodium salt 8004-92-0 DTXSID0041721 ER Pathway Model, Antagonist Call Inactive Unitless C.I. Acid Yellow 3 disodium salt 8004-92-0|C.I. Acid Yellow 3 disodium salt|1,3-Isobenzofurandione, reaction products with methylquinoline and quinoline, sulfonated|2-(2-Quinolyl)-1,3-indandione disulfonic acid disodium salt|ACID QUINOLINE YELLOW WS|Acid Yellow 3|Acid Yellow QS|Anhydride phtalique, produits de reaction avec la methylquinoline et la quinoline sulfurises|Basacid Yellow 094|Basovit Yellow 095E|C.I. 47005|C.I. acid yellow 003|C.I. Acid Yellow 3|C.I. Acid Yellow 4|C.I. Food Yellow 13|Chinogelb|Chinogelb Extra|Chinogelb wasserloeslich|Cogilor Yellow 112.12|D & C YELLOW 10|D & C Yellow No. 10|D and C Yellow No. 10|D&C Yellow No. 10|D&C Yellow No. 10-307007|D&C Yellow No. 10-38009|D&C Yellow No. 10-38012|D&C Yellow No. 10-90125|D&C Yellow No. 10HWS307010|D&C Yellow No. 10W074|Dye Quinoline Yellow|Eurocert Quinoline Yellow 311744|FD and C Yellow No. 10|FD&C Yellow No. 10|Food Yellow 13|Food Yellow No. 13|Japan Yellow 203|Jaune de quinoleine|Lemon Yellow ZN 3|Neelicol Quinoline Yellow WS|Quinidine Yellow KT|Quinoline Yellow 36012|Quinoline Yellow 38009|Quinoline Yellow 90125|Q|12000-69-0|12124-89-9|39354-67-1|65721-84-8|83711-72-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041721
ARPathway2016 ARPathway2016_1430 C.I. Acid Yellow 34, monosodium salt 6359-90-6 DTXSID0041646 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC1=NN(C(=O)C1N=NC1=CC=CC=C1)C1=CC(=CC=C1Cl)S([O-])(=O)=O C.I. Acid Yellow 34, monosodium salt 6359-90-6|C.I. Acid Yellow 34, monosodium salt|Acid yellow 34|Amacid Light Yellow 3GL|Benzenesulfonic acid, 4-chloro-3-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]-, sodium salt|C.I. Acid Yellow 34|EINECS 228-813-8|Fast Light Yellow D3GA|Fast Wool Yellow 3GL|NSC 326207 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041646
ARPathway2016 ARPathway2016_1430 C.I. Acid Yellow 34, monosodium salt 6359-90-6 DTXSID0041646 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CC1=NN(C(=O)C1N=NC1=CC=CC=C1)C1=CC(=CC=C1Cl)S([O-])(=O)=O C.I. Acid Yellow 34, monosodium salt 6359-90-6|C.I. Acid Yellow 34, monosodium salt|Acid yellow 34|Amacid Light Yellow 3GL|Benzenesulfonic acid, 4-chloro-3-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]-, sodium salt|C.I. Acid Yellow 34|EINECS 228-813-8|Fast Light Yellow D3GA|Fast Wool Yellow 3GL|NSC 326207 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041646
ARPathway2016 ARPathway2016_1430 C.I. Acid Yellow 34, monosodium salt 6359-90-6 DTXSID0041646 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CC1=NN(C(=O)C1N=NC1=CC=CC=C1)C1=CC(=CC=C1Cl)S([O-])(=O)=O C.I. Acid Yellow 34, monosodium salt 6359-90-6|C.I. Acid Yellow 34, monosodium salt|Acid yellow 34|Amacid Light Yellow 3GL|Benzenesulfonic acid, 4-chloro-3-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]-, sodium salt|C.I. Acid Yellow 34|EINECS 228-813-8|Fast Light Yellow D3GA|Fast Wool Yellow 3GL|NSC 326207 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041646
ARPathway2016 ARPathway2016_1430 C.I. Acid Yellow 34, monosodium salt 6359-90-6 DTXSID0041646 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CC1=NN(C(=O)C1N=NC1=CC=CC=C1)C1=CC(=CC=C1Cl)S([O-])(=O)=O C.I. Acid Yellow 34, monosodium salt 6359-90-6|C.I. Acid Yellow 34, monosodium salt|Acid yellow 34|Amacid Light Yellow 3GL|Benzenesulfonic acid, 4-chloro-3-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]-, sodium salt|C.I. Acid Yellow 34|EINECS 228-813-8|Fast Light Yellow D3GA|Fast Wool Yellow 3GL|NSC 326207 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041646
ERPathway2016 ERPathway2016_1589 C.I. Acid Yellow 34, monosodium salt 6359-90-6 DTXSID0041646 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CC1=NN(C(=O)C1N=NC1=CC=CC=C1)C1=CC(=CC=C1Cl)S([O-])(=O)=O C.I. Acid Yellow 34, monosodium salt 6359-90-6|C.I. Acid Yellow 34, monosodium salt|Acid yellow 34|Amacid Light Yellow 3GL|Benzenesulfonic acid, 4-chloro-3-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]-, sodium salt|C.I. Acid Yellow 34|EINECS 228-813-8|Fast Light Yellow D3GA|Fast Wool Yellow 3GL|NSC 326207 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041646
ERPathway2016 ERPathway2016_1589 C.I. Acid Yellow 34, monosodium salt 6359-90-6 DTXSID0041646 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC1=NN(C(=O)C1N=NC1=CC=CC=C1)C1=CC(=CC=C1Cl)S([O-])(=O)=O C.I. Acid Yellow 34, monosodium salt 6359-90-6|C.I. Acid Yellow 34, monosodium salt|Acid yellow 34|Amacid Light Yellow 3GL|Benzenesulfonic acid, 4-chloro-3-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]-, sodium salt|C.I. Acid Yellow 34|EINECS 228-813-8|Fast Light Yellow D3GA|Fast Wool Yellow 3GL|NSC 326207 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041646
ERPathway2016 ERPathway2016_1589 C.I. Acid Yellow 34, monosodium salt 6359-90-6 DTXSID0041646 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CC1=NN(C(=O)C1N=NC1=CC=CC=C1)C1=CC(=CC=C1Cl)S([O-])(=O)=O C.I. Acid Yellow 34, monosodium salt 6359-90-6|C.I. Acid Yellow 34, monosodium salt|Acid yellow 34|Amacid Light Yellow 3GL|Benzenesulfonic acid, 4-chloro-3-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]-, sodium salt|C.I. Acid Yellow 34|EINECS 228-813-8|Fast Light Yellow D3GA|Fast Wool Yellow 3GL|NSC 326207 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041646
ERPathway2016 ERPathway2016_1589 C.I. Acid Yellow 34, monosodium salt 6359-90-6 DTXSID0041646 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CC1=NN(C(=O)C1N=NC1=CC=CC=C1)C1=CC(=CC=C1Cl)S([O-])(=O)=O C.I. Acid Yellow 34, monosodium salt 6359-90-6|C.I. Acid Yellow 34, monosodium salt|Acid yellow 34|Amacid Light Yellow 3GL|Benzenesulfonic acid, 4-chloro-3-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]-, sodium salt|C.I. Acid Yellow 34|EINECS 228-813-8|Fast Light Yellow D3GA|Fast Wool Yellow 3GL|NSC 326207 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041646
ARPathway2016 ARPathway2016_1815 C.I. Azoic Diazo Component 12 99-55-8 DTXSID4020959 1.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(N)C=C(C=C1)[N+]([O-])=O C.I. Azoic Diazo Component 12 99-55-8|C.I. Azoic Diazo Component 12|1-Amino-2-methyl-5-nitrobenzene|2-Amino-4-nitrotoluene|2-Methyl-5-nitro-benzeneamine|2-Methyl-5-nitro-phenylamine|2-Methyl-5-nitroaniline|2-Methyl-5-nitrobenzenamine|3-Nitro-6-methylaniline|4-12-00-01807|4-Nitro-2-aminotoluene|5-Nitro-2-methylaniline|5-Nitro-2-toluidine|5-Nitro-o-toluidine|6-Methyl-3-nitroaniline|Amarthol Fast Scarlet G Base|Amarthol Fast Scarlet G salt|Azoene Fast Scarlet GC Base|Azoene Fast Scarlet GC salt|Azofix Scarlet G salt|Azogene Fast Scarlet G|Azoic Diazo Component 12|Benzenamine, 2-methyl-5-nitro-|BRN 0879021|C.I. Azoic Diazo Component 12|CI Azoic Diazo Component 12|Dainichi Fast Scarlet G Base|Daito Scarlet Base G|Devol Scarlet B|Devol Scarlet G salt|Diabase Scarlet G|Diazo Fast Scarlet G|EINECS 202-765-8|Fast Red SG Base|Fast Scarlet Base G|Fast Scarlet Base J|Fast Scarlet G|Fast Scarlet G Base|Fast Scarlet G salt|Fast Scarlet GC Base|Fast Scarlet J salt|Fast Scarlet M4NT Base|Fast Scarlet T Base|Hiltonil Fast Scarlet G Base|Hiltonil Fast Scarlet G salt|Hiltonil Fast Scarlet GC Ba https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020959 https://doi.org/10.22427/NTP-DATA-DTXSID4020959
ARPathway2016 ARPathway2016_1815 C.I. Azoic Diazo Component 12 99-55-8 DTXSID4020959 1.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(N)C=C(C=C1)[N+]([O-])=O C.I. Azoic Diazo Component 12 99-55-8|C.I. Azoic Diazo Component 12|1-Amino-2-methyl-5-nitrobenzene|2-Amino-4-nitrotoluene|2-Methyl-5-nitro-benzeneamine|2-Methyl-5-nitro-phenylamine|2-Methyl-5-nitroaniline|2-Methyl-5-nitrobenzenamine|3-Nitro-6-methylaniline|4-12-00-01807|4-Nitro-2-aminotoluene|5-Nitro-2-methylaniline|5-Nitro-2-toluidine|5-Nitro-o-toluidine|6-Methyl-3-nitroaniline|Amarthol Fast Scarlet G Base|Amarthol Fast Scarlet G salt|Azoene Fast Scarlet GC Base|Azoene Fast Scarlet GC salt|Azofix Scarlet G salt|Azogene Fast Scarlet G|Azoic Diazo Component 12|Benzenamine, 2-methyl-5-nitro-|BRN 0879021|C.I. Azoic Diazo Component 12|CI Azoic Diazo Component 12|Dainichi Fast Scarlet G Base|Daito Scarlet Base G|Devol Scarlet B|Devol Scarlet G salt|Diabase Scarlet G|Diazo Fast Scarlet G|EINECS 202-765-8|Fast Red SG Base|Fast Scarlet Base G|Fast Scarlet Base J|Fast Scarlet G|Fast Scarlet G Base|Fast Scarlet G salt|Fast Scarlet GC Base|Fast Scarlet J salt|Fast Scarlet M4NT Base|Fast Scarlet T Base|Hiltonil Fast Scarlet G Base|Hiltonil Fast Scarlet G salt|Hiltonil Fast Scarlet GC Ba https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020959 https://doi.org/10.22427/NTP-DATA-DTXSID4020959
ARPathway2016 ARPathway2016_1815 C.I. Azoic Diazo Component 12 99-55-8 DTXSID4020959 1.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(N)C=C(C=C1)[N+]([O-])=O C.I. Azoic Diazo Component 12 99-55-8|C.I. Azoic Diazo Component 12|1-Amino-2-methyl-5-nitrobenzene|2-Amino-4-nitrotoluene|2-Methyl-5-nitro-benzeneamine|2-Methyl-5-nitro-phenylamine|2-Methyl-5-nitroaniline|2-Methyl-5-nitrobenzenamine|3-Nitro-6-methylaniline|4-12-00-01807|4-Nitro-2-aminotoluene|5-Nitro-2-methylaniline|5-Nitro-2-toluidine|5-Nitro-o-toluidine|6-Methyl-3-nitroaniline|Amarthol Fast Scarlet G Base|Amarthol Fast Scarlet G salt|Azoene Fast Scarlet GC Base|Azoene Fast Scarlet GC salt|Azofix Scarlet G salt|Azogene Fast Scarlet G|Azoic Diazo Component 12|Benzenamine, 2-methyl-5-nitro-|BRN 0879021|C.I. Azoic Diazo Component 12|CI Azoic Diazo Component 12|Dainichi Fast Scarlet G Base|Daito Scarlet Base G|Devol Scarlet B|Devol Scarlet G salt|Diabase Scarlet G|Diazo Fast Scarlet G|EINECS 202-765-8|Fast Red SG Base|Fast Scarlet Base G|Fast Scarlet Base J|Fast Scarlet G|Fast Scarlet G Base|Fast Scarlet G salt|Fast Scarlet GC Base|Fast Scarlet J salt|Fast Scarlet M4NT Base|Fast Scarlet T Base|Hiltonil Fast Scarlet G Base|Hiltonil Fast Scarlet G salt|Hiltonil Fast Scarlet GC Ba https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020959 https://doi.org/10.22427/NTP-DATA-DTXSID4020959
ARPathway2016 ARPathway2016_1815 C.I. Azoic Diazo Component 12 99-55-8 DTXSID4020959 1.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(N)C=C(C=C1)[N+]([O-])=O C.I. Azoic Diazo Component 12 99-55-8|C.I. Azoic Diazo Component 12|1-Amino-2-methyl-5-nitrobenzene|2-Amino-4-nitrotoluene|2-Methyl-5-nitro-benzeneamine|2-Methyl-5-nitro-phenylamine|2-Methyl-5-nitroaniline|2-Methyl-5-nitrobenzenamine|3-Nitro-6-methylaniline|4-12-00-01807|4-Nitro-2-aminotoluene|5-Nitro-2-methylaniline|5-Nitro-2-toluidine|5-Nitro-o-toluidine|6-Methyl-3-nitroaniline|Amarthol Fast Scarlet G Base|Amarthol Fast Scarlet G salt|Azoene Fast Scarlet GC Base|Azoene Fast Scarlet GC salt|Azofix Scarlet G salt|Azogene Fast Scarlet G|Azoic Diazo Component 12|Benzenamine, 2-methyl-5-nitro-|BRN 0879021|C.I. Azoic Diazo Component 12|CI Azoic Diazo Component 12|Dainichi Fast Scarlet G Base|Daito Scarlet Base G|Devol Scarlet B|Devol Scarlet G salt|Diabase Scarlet G|Diazo Fast Scarlet G|EINECS 202-765-8|Fast Red SG Base|Fast Scarlet Base G|Fast Scarlet Base J|Fast Scarlet G|Fast Scarlet G Base|Fast Scarlet G salt|Fast Scarlet GC Base|Fast Scarlet J salt|Fast Scarlet M4NT Base|Fast Scarlet T Base|Hiltonil Fast Scarlet G Base|Hiltonil Fast Scarlet G salt|Hiltonil Fast Scarlet GC Ba https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020959 https://doi.org/10.22427/NTP-DATA-DTXSID4020959
ERPathway2016 ERPathway2016_1795 C.I. Azoic Diazo Component 12 99-55-8 DTXSID4020959 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(N)C=C(C=C1)[N+]([O-])=O C.I. Azoic Diazo Component 12 99-55-8|C.I. Azoic Diazo Component 12|1-Amino-2-methyl-5-nitrobenzene|2-Amino-4-nitrotoluene|2-Methyl-5-nitro-benzeneamine|2-Methyl-5-nitro-phenylamine|2-Methyl-5-nitroaniline|2-Methyl-5-nitrobenzenamine|3-Nitro-6-methylaniline|4-12-00-01807|4-Nitro-2-aminotoluene|5-Nitro-2-methylaniline|5-Nitro-2-toluidine|5-Nitro-o-toluidine|6-Methyl-3-nitroaniline|Amarthol Fast Scarlet G Base|Amarthol Fast Scarlet G salt|Azoene Fast Scarlet GC Base|Azoene Fast Scarlet GC salt|Azofix Scarlet G salt|Azogene Fast Scarlet G|Azoic Diazo Component 12|Benzenamine, 2-methyl-5-nitro-|BRN 0879021|C.I. Azoic Diazo Component 12|CI Azoic Diazo Component 12|Dainichi Fast Scarlet G Base|Daito Scarlet Base G|Devol Scarlet B|Devol Scarlet G salt|Diabase Scarlet G|Diazo Fast Scarlet G|EINECS 202-765-8|Fast Red SG Base|Fast Scarlet Base G|Fast Scarlet Base J|Fast Scarlet G|Fast Scarlet G Base|Fast Scarlet G salt|Fast Scarlet GC Base|Fast Scarlet J salt|Fast Scarlet M4NT Base|Fast Scarlet T Base|Hiltonil Fast Scarlet G Base|Hiltonil Fast Scarlet G salt|Hiltonil Fast Scarlet GC Ba https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020959 https://doi.org/10.22427/NTP-DATA-DTXSID4020959
ERPathway2016 ERPathway2016_1795 C.I. Azoic Diazo Component 12 99-55-8 DTXSID4020959 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(N)C=C(C=C1)[N+]([O-])=O C.I. Azoic Diazo Component 12 99-55-8|C.I. Azoic Diazo Component 12|1-Amino-2-methyl-5-nitrobenzene|2-Amino-4-nitrotoluene|2-Methyl-5-nitro-benzeneamine|2-Methyl-5-nitro-phenylamine|2-Methyl-5-nitroaniline|2-Methyl-5-nitrobenzenamine|3-Nitro-6-methylaniline|4-12-00-01807|4-Nitro-2-aminotoluene|5-Nitro-2-methylaniline|5-Nitro-2-toluidine|5-Nitro-o-toluidine|6-Methyl-3-nitroaniline|Amarthol Fast Scarlet G Base|Amarthol Fast Scarlet G salt|Azoene Fast Scarlet GC Base|Azoene Fast Scarlet GC salt|Azofix Scarlet G salt|Azogene Fast Scarlet G|Azoic Diazo Component 12|Benzenamine, 2-methyl-5-nitro-|BRN 0879021|C.I. Azoic Diazo Component 12|CI Azoic Diazo Component 12|Dainichi Fast Scarlet G Base|Daito Scarlet Base G|Devol Scarlet B|Devol Scarlet G salt|Diabase Scarlet G|Diazo Fast Scarlet G|EINECS 202-765-8|Fast Red SG Base|Fast Scarlet Base G|Fast Scarlet Base J|Fast Scarlet G|Fast Scarlet G Base|Fast Scarlet G salt|Fast Scarlet GC Base|Fast Scarlet J salt|Fast Scarlet M4NT Base|Fast Scarlet T Base|Hiltonil Fast Scarlet G Base|Hiltonil Fast Scarlet G salt|Hiltonil Fast Scarlet GC Ba https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020959 https://doi.org/10.22427/NTP-DATA-DTXSID4020959
ERPathway2016 ERPathway2016_1795 C.I. Azoic Diazo Component 12 99-55-8 DTXSID4020959 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(N)C=C(C=C1)[N+]([O-])=O C.I. Azoic Diazo Component 12 99-55-8|C.I. Azoic Diazo Component 12|1-Amino-2-methyl-5-nitrobenzene|2-Amino-4-nitrotoluene|2-Methyl-5-nitro-benzeneamine|2-Methyl-5-nitro-phenylamine|2-Methyl-5-nitroaniline|2-Methyl-5-nitrobenzenamine|3-Nitro-6-methylaniline|4-12-00-01807|4-Nitro-2-aminotoluene|5-Nitro-2-methylaniline|5-Nitro-2-toluidine|5-Nitro-o-toluidine|6-Methyl-3-nitroaniline|Amarthol Fast Scarlet G Base|Amarthol Fast Scarlet G salt|Azoene Fast Scarlet GC Base|Azoene Fast Scarlet GC salt|Azofix Scarlet G salt|Azogene Fast Scarlet G|Azoic Diazo Component 12|Benzenamine, 2-methyl-5-nitro-|BRN 0879021|C.I. Azoic Diazo Component 12|CI Azoic Diazo Component 12|Dainichi Fast Scarlet G Base|Daito Scarlet Base G|Devol Scarlet B|Devol Scarlet G salt|Diabase Scarlet G|Diazo Fast Scarlet G|EINECS 202-765-8|Fast Red SG Base|Fast Scarlet Base G|Fast Scarlet Base J|Fast Scarlet G|Fast Scarlet G Base|Fast Scarlet G salt|Fast Scarlet GC Base|Fast Scarlet J salt|Fast Scarlet M4NT Base|Fast Scarlet T Base|Hiltonil Fast Scarlet G Base|Hiltonil Fast Scarlet G salt|Hiltonil Fast Scarlet GC Ba https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020959 https://doi.org/10.22427/NTP-DATA-DTXSID4020959
ERPathway2016 ERPathway2016_1795 C.I. Azoic Diazo Component 12 99-55-8 DTXSID4020959 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(N)C=C(C=C1)[N+]([O-])=O C.I. Azoic Diazo Component 12 99-55-8|C.I. Azoic Diazo Component 12|1-Amino-2-methyl-5-nitrobenzene|2-Amino-4-nitrotoluene|2-Methyl-5-nitro-benzeneamine|2-Methyl-5-nitro-phenylamine|2-Methyl-5-nitroaniline|2-Methyl-5-nitrobenzenamine|3-Nitro-6-methylaniline|4-12-00-01807|4-Nitro-2-aminotoluene|5-Nitro-2-methylaniline|5-Nitro-2-toluidine|5-Nitro-o-toluidine|6-Methyl-3-nitroaniline|Amarthol Fast Scarlet G Base|Amarthol Fast Scarlet G salt|Azoene Fast Scarlet GC Base|Azoene Fast Scarlet GC salt|Azofix Scarlet G salt|Azogene Fast Scarlet G|Azoic Diazo Component 12|Benzenamine, 2-methyl-5-nitro-|BRN 0879021|C.I. Azoic Diazo Component 12|CI Azoic Diazo Component 12|Dainichi Fast Scarlet G Base|Daito Scarlet Base G|Devol Scarlet B|Devol Scarlet G salt|Diabase Scarlet G|Diazo Fast Scarlet G|EINECS 202-765-8|Fast Red SG Base|Fast Scarlet Base G|Fast Scarlet Base J|Fast Scarlet G|Fast Scarlet G Base|Fast Scarlet G salt|Fast Scarlet GC Base|Fast Scarlet J salt|Fast Scarlet M4NT Base|Fast Scarlet T Base|Hiltonil Fast Scarlet G Base|Hiltonil Fast Scarlet G salt|Hiltonil Fast Scarlet GC Ba https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020959 https://doi.org/10.22427/NTP-DATA-DTXSID4020959
ARPathway2016 ARPathway2016_235 C.I. Basic Blue 9 61-73-4 DTXSID0023296 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 18.5295744813443 uM [Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1 C.I. Basic Blue 9 61-73-4|C.I. Basic Blue 9|3,7-BIS(DIMETHYLAMINO)PHENAZATHIONIUM CHLORIDE|3,7-Bis(dimethylamino)phenothiazin-5-ium chloride|Aizen Methylene Blue BH|Aizen Methylene Blue FZ|azul de metileno|Basic Blue 9|bleu de methylene|C.I. 52015|C.I. basic blue 009|Calcozine Blue ZF|Caswell No. 567|Ceruleum methylenum|Chlorure de methylthioninium|Chromosmon|CI Basic Blue 9|cloruro de metiltioninio|D and C Blue No. 1|D And C Blue Number 1|EINECS 200-515-2|EPA Pesticide Chemical Code 039505|Ext D and C Blue No. 1|External Blue 1|Hidaco Methylene Blue Salt Free|Izit Crystal Dye|Leather Pure Blue HB|M-B Tabs|METHYLENBLAU|Methylene Blue 2B|Methylene Blue 2BF|Methylene Blue 2BN|Methylene Blue 2BP|Methylene Blue A|Methylene Blue anhydrous|Methylene Blue B|Methylene Blue BB|Methylene Blue BBA|Methylene Blue BD|Methylene Blue BP|Methylene Blue BPC|Methylene Blue BX|Methylene Blue BZ|Methylene Blue chloride|Methylene Blue D|Methylene Blue FZ|Methylene Blue G|Methylene Blue GZ|Methylene Blue HGG|Methylene Blue IAD|Methylene Blue JFA|Methylene Blue N|Methylene B|1001913-24-1|1001914-35-7|105504-42-5|121067-62-7|1219638-11-5|12262-49-6|1341-90-8|167498-52-4|6476-03-5|923927-02-0|97130-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023296
ARPathway2016 ARPathway2016_235 C.I. Basic Blue 9 61-73-4 DTXSID0023296 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 6.790072082 uM [Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1 C.I. Basic Blue 9 61-73-4|C.I. Basic Blue 9|3,7-BIS(DIMETHYLAMINO)PHENAZATHIONIUM CHLORIDE|3,7-Bis(dimethylamino)phenothiazin-5-ium chloride|Aizen Methylene Blue BH|Aizen Methylene Blue FZ|azul de metileno|Basic Blue 9|bleu de methylene|C.I. 52015|C.I. basic blue 009|Calcozine Blue ZF|Caswell No. 567|Ceruleum methylenum|Chlorure de methylthioninium|Chromosmon|CI Basic Blue 9|cloruro de metiltioninio|D and C Blue No. 1|D And C Blue Number 1|EINECS 200-515-2|EPA Pesticide Chemical Code 039505|Ext D and C Blue No. 1|External Blue 1|Hidaco Methylene Blue Salt Free|Izit Crystal Dye|Leather Pure Blue HB|M-B Tabs|METHYLENBLAU|Methylene Blue 2B|Methylene Blue 2BF|Methylene Blue 2BN|Methylene Blue 2BP|Methylene Blue A|Methylene Blue anhydrous|Methylene Blue B|Methylene Blue BB|Methylene Blue BBA|Methylene Blue BD|Methylene Blue BP|Methylene Blue BPC|Methylene Blue BX|Methylene Blue BZ|Methylene Blue chloride|Methylene Blue D|Methylene Blue FZ|Methylene Blue G|Methylene Blue GZ|Methylene Blue HGG|Methylene Blue IAD|Methylene Blue JFA|Methylene Blue N|Methylene B|1001913-24-1|1001914-35-7|105504-42-5|121067-62-7|1219638-11-5|12262-49-6|1341-90-8|167498-52-4|6476-03-5|923927-02-0|97130-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023296
ARPathway2016 ARPathway2016_235 C.I. Basic Blue 9 61-73-4 DTXSID0023296 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.237 Unitless [Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1 C.I. Basic Blue 9 61-73-4|C.I. Basic Blue 9|3,7-BIS(DIMETHYLAMINO)PHENAZATHIONIUM CHLORIDE|3,7-Bis(dimethylamino)phenothiazin-5-ium chloride|Aizen Methylene Blue BH|Aizen Methylene Blue FZ|azul de metileno|Basic Blue 9|bleu de methylene|C.I. 52015|C.I. basic blue 009|Calcozine Blue ZF|Caswell No. 567|Ceruleum methylenum|Chlorure de methylthioninium|Chromosmon|CI Basic Blue 9|cloruro de metiltioninio|D and C Blue No. 1|D And C Blue Number 1|EINECS 200-515-2|EPA Pesticide Chemical Code 039505|Ext D and C Blue No. 1|External Blue 1|Hidaco Methylene Blue Salt Free|Izit Crystal Dye|Leather Pure Blue HB|M-B Tabs|METHYLENBLAU|Methylene Blue 2B|Methylene Blue 2BF|Methylene Blue 2BN|Methylene Blue 2BP|Methylene Blue A|Methylene Blue anhydrous|Methylene Blue B|Methylene Blue BB|Methylene Blue BBA|Methylene Blue BD|Methylene Blue BP|Methylene Blue BPC|Methylene Blue BX|Methylene Blue BZ|Methylene Blue chloride|Methylene Blue D|Methylene Blue FZ|Methylene Blue G|Methylene Blue GZ|Methylene Blue HGG|Methylene Blue IAD|Methylene Blue JFA|Methylene Blue N|Methylene B|1001913-24-1|1001914-35-7|105504-42-5|121067-62-7|1219638-11-5|12262-49-6|1341-90-8|167498-52-4|6476-03-5|923927-02-0|97130-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023296
ARPathway2016 ARPathway2016_235 C.I. Basic Blue 9 61-73-4 DTXSID0023296 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1 C.I. Basic Blue 9 61-73-4|C.I. Basic Blue 9|3,7-BIS(DIMETHYLAMINO)PHENAZATHIONIUM CHLORIDE|3,7-Bis(dimethylamino)phenothiazin-5-ium chloride|Aizen Methylene Blue BH|Aizen Methylene Blue FZ|azul de metileno|Basic Blue 9|bleu de methylene|C.I. 52015|C.I. basic blue 009|Calcozine Blue ZF|Caswell No. 567|Ceruleum methylenum|Chlorure de methylthioninium|Chromosmon|CI Basic Blue 9|cloruro de metiltioninio|D and C Blue No. 1|D And C Blue Number 1|EINECS 200-515-2|EPA Pesticide Chemical Code 039505|Ext D and C Blue No. 1|External Blue 1|Hidaco Methylene Blue Salt Free|Izit Crystal Dye|Leather Pure Blue HB|M-B Tabs|METHYLENBLAU|Methylene Blue 2B|Methylene Blue 2BF|Methylene Blue 2BN|Methylene Blue 2BP|Methylene Blue A|Methylene Blue anhydrous|Methylene Blue B|Methylene Blue BB|Methylene Blue BBA|Methylene Blue BD|Methylene Blue BP|Methylene Blue BPC|Methylene Blue BX|Methylene Blue BZ|Methylene Blue chloride|Methylene Blue D|Methylene Blue FZ|Methylene Blue G|Methylene Blue GZ|Methylene Blue HGG|Methylene Blue IAD|Methylene Blue JFA|Methylene Blue N|Methylene B|1001913-24-1|1001914-35-7|105504-42-5|121067-62-7|1219638-11-5|12262-49-6|1341-90-8|167498-52-4|6476-03-5|923927-02-0|97130-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023296
ARPathway2016 ARPathway2016_235 C.I. Basic Blue 9 61-73-4 DTXSID0023296 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1 C.I. Basic Blue 9 61-73-4|C.I. Basic Blue 9|3,7-BIS(DIMETHYLAMINO)PHENAZATHIONIUM CHLORIDE|3,7-Bis(dimethylamino)phenothiazin-5-ium chloride|Aizen Methylene Blue BH|Aizen Methylene Blue FZ|azul de metileno|Basic Blue 9|bleu de methylene|C.I. 52015|C.I. basic blue 009|Calcozine Blue ZF|Caswell No. 567|Ceruleum methylenum|Chlorure de methylthioninium|Chromosmon|CI Basic Blue 9|cloruro de metiltioninio|D and C Blue No. 1|D And C Blue Number 1|EINECS 200-515-2|EPA Pesticide Chemical Code 039505|Ext D and C Blue No. 1|External Blue 1|Hidaco Methylene Blue Salt Free|Izit Crystal Dye|Leather Pure Blue HB|M-B Tabs|METHYLENBLAU|Methylene Blue 2B|Methylene Blue 2BF|Methylene Blue 2BN|Methylene Blue 2BP|Methylene Blue A|Methylene Blue anhydrous|Methylene Blue B|Methylene Blue BB|Methylene Blue BBA|Methylene Blue BD|Methylene Blue BP|Methylene Blue BPC|Methylene Blue BX|Methylene Blue BZ|Methylene Blue chloride|Methylene Blue D|Methylene Blue FZ|Methylene Blue G|Methylene Blue GZ|Methylene Blue HGG|Methylene Blue IAD|Methylene Blue JFA|Methylene Blue N|Methylene B|1001913-24-1|1001914-35-7|105504-42-5|121067-62-7|1219638-11-5|12262-49-6|1341-90-8|167498-52-4|6476-03-5|923927-02-0|97130-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023296
ARPathway2016 ARPathway2016_235 C.I. Basic Blue 9 61-73-4 DTXSID0023296 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1 C.I. Basic Blue 9 61-73-4|C.I. Basic Blue 9|3,7-BIS(DIMETHYLAMINO)PHENAZATHIONIUM CHLORIDE|3,7-Bis(dimethylamino)phenothiazin-5-ium chloride|Aizen Methylene Blue BH|Aizen Methylene Blue FZ|azul de metileno|Basic Blue 9|bleu de methylene|C.I. 52015|C.I. basic blue 009|Calcozine Blue ZF|Caswell No. 567|Ceruleum methylenum|Chlorure de methylthioninium|Chromosmon|CI Basic Blue 9|cloruro de metiltioninio|D and C Blue No. 1|D And C Blue Number 1|EINECS 200-515-2|EPA Pesticide Chemical Code 039505|Ext D and C Blue No. 1|External Blue 1|Hidaco Methylene Blue Salt Free|Izit Crystal Dye|Leather Pure Blue HB|M-B Tabs|METHYLENBLAU|Methylene Blue 2B|Methylene Blue 2BF|Methylene Blue 2BN|Methylene Blue 2BP|Methylene Blue A|Methylene Blue anhydrous|Methylene Blue B|Methylene Blue BB|Methylene Blue BBA|Methylene Blue BD|Methylene Blue BP|Methylene Blue BPC|Methylene Blue BX|Methylene Blue BZ|Methylene Blue chloride|Methylene Blue D|Methylene Blue FZ|Methylene Blue G|Methylene Blue GZ|Methylene Blue HGG|Methylene Blue IAD|Methylene Blue JFA|Methylene Blue N|Methylene B|1001913-24-1|1001914-35-7|105504-42-5|121067-62-7|1219638-11-5|12262-49-6|1341-90-8|167498-52-4|6476-03-5|923927-02-0|97130-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023296
ERPathway2016 ERPathway2016_59 C.I. Basic Blue 9 61-73-4 DTXSID0023296 ER Pathway Model, Agonist AC50 48.3519738192217 uM [Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1 C.I. Basic Blue 9 61-73-4|C.I. Basic Blue 9|3,7-BIS(DIMETHYLAMINO)PHENAZATHIONIUM CHLORIDE|3,7-Bis(dimethylamino)phenothiazin-5-ium chloride|Aizen Methylene Blue BH|Aizen Methylene Blue FZ|azul de metileno|Basic Blue 9|bleu de methylene|C.I. 52015|C.I. basic blue 009|Calcozine Blue ZF|Caswell No. 567|Ceruleum methylenum|Chlorure de methylthioninium|Chromosmon|CI Basic Blue 9|cloruro de metiltioninio|D and C Blue No. 1|D And C Blue Number 1|EINECS 200-515-2|EPA Pesticide Chemical Code 039505|Ext D and C Blue No. 1|External Blue 1|Hidaco Methylene Blue Salt Free|Izit Crystal Dye|Leather Pure Blue HB|M-B Tabs|METHYLENBLAU|Methylene Blue 2B|Methylene Blue 2BF|Methylene Blue 2BN|Methylene Blue 2BP|Methylene Blue A|Methylene Blue anhydrous|Methylene Blue B|Methylene Blue BB|Methylene Blue BBA|Methylene Blue BD|Methylene Blue BP|Methylene Blue BPC|Methylene Blue BX|Methylene Blue BZ|Methylene Blue chloride|Methylene Blue D|Methylene Blue FZ|Methylene Blue G|Methylene Blue GZ|Methylene Blue HGG|Methylene Blue IAD|Methylene Blue JFA|Methylene Blue N|Methylene B|1001913-24-1|1001914-35-7|105504-42-5|121067-62-7|1219638-11-5|12262-49-6|1341-90-8|167498-52-4|6476-03-5|923927-02-0|97130-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023296
ERPathway2016 ERPathway2016_59 C.I. Basic Blue 9 61-73-4 DTXSID0023296 ER Pathway Model, Agonist ACC 17.5220106521944 uM [Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1 C.I. Basic Blue 9 61-73-4|C.I. Basic Blue 9|3,7-BIS(DIMETHYLAMINO)PHENAZATHIONIUM CHLORIDE|3,7-Bis(dimethylamino)phenothiazin-5-ium chloride|Aizen Methylene Blue BH|Aizen Methylene Blue FZ|azul de metileno|Basic Blue 9|bleu de methylene|C.I. 52015|C.I. basic blue 009|Calcozine Blue ZF|Caswell No. 567|Ceruleum methylenum|Chlorure de methylthioninium|Chromosmon|CI Basic Blue 9|cloruro de metiltioninio|D and C Blue No. 1|D And C Blue Number 1|EINECS 200-515-2|EPA Pesticide Chemical Code 039505|Ext D and C Blue No. 1|External Blue 1|Hidaco Methylene Blue Salt Free|Izit Crystal Dye|Leather Pure Blue HB|M-B Tabs|METHYLENBLAU|Methylene Blue 2B|Methylene Blue 2BF|Methylene Blue 2BN|Methylene Blue 2BP|Methylene Blue A|Methylene Blue anhydrous|Methylene Blue B|Methylene Blue BB|Methylene Blue BBA|Methylene Blue BD|Methylene Blue BP|Methylene Blue BPC|Methylene Blue BX|Methylene Blue BZ|Methylene Blue chloride|Methylene Blue D|Methylene Blue FZ|Methylene Blue G|Methylene Blue GZ|Methylene Blue HGG|Methylene Blue IAD|Methylene Blue JFA|Methylene Blue N|Methylene B|1001913-24-1|1001914-35-7|105504-42-5|121067-62-7|1219638-11-5|12262-49-6|1341-90-8|167498-52-4|6476-03-5|923927-02-0|97130-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023296
ERPathway2016 ERPathway2016_59 C.I. Basic Blue 9 61-73-4 DTXSID0023296 ER Pathway Model, Agonist Model Score 0.00154 Unitless [Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1 C.I. Basic Blue 9 61-73-4|C.I. Basic Blue 9|3,7-BIS(DIMETHYLAMINO)PHENAZATHIONIUM CHLORIDE|3,7-Bis(dimethylamino)phenothiazin-5-ium chloride|Aizen Methylene Blue BH|Aizen Methylene Blue FZ|azul de metileno|Basic Blue 9|bleu de methylene|C.I. 52015|C.I. basic blue 009|Calcozine Blue ZF|Caswell No. 567|Ceruleum methylenum|Chlorure de methylthioninium|Chromosmon|CI Basic Blue 9|cloruro de metiltioninio|D and C Blue No. 1|D And C Blue Number 1|EINECS 200-515-2|EPA Pesticide Chemical Code 039505|Ext D and C Blue No. 1|External Blue 1|Hidaco Methylene Blue Salt Free|Izit Crystal Dye|Leather Pure Blue HB|M-B Tabs|METHYLENBLAU|Methylene Blue 2B|Methylene Blue 2BF|Methylene Blue 2BN|Methylene Blue 2BP|Methylene Blue A|Methylene Blue anhydrous|Methylene Blue B|Methylene Blue BB|Methylene Blue BBA|Methylene Blue BD|Methylene Blue BP|Methylene Blue BPC|Methylene Blue BX|Methylene Blue BZ|Methylene Blue chloride|Methylene Blue D|Methylene Blue FZ|Methylene Blue G|Methylene Blue GZ|Methylene Blue HGG|Methylene Blue IAD|Methylene Blue JFA|Methylene Blue N|Methylene B|1001913-24-1|1001914-35-7|105504-42-5|121067-62-7|1219638-11-5|12262-49-6|1341-90-8|167498-52-4|6476-03-5|923927-02-0|97130-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023296
ERPathway2016 ERPathway2016_59 C.I. Basic Blue 9 61-73-4 DTXSID0023296 ER Pathway Model, Antagonist Model Score 0.0591 Unitless [Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1 C.I. Basic Blue 9 61-73-4|C.I. Basic Blue 9|3,7-BIS(DIMETHYLAMINO)PHENAZATHIONIUM CHLORIDE|3,7-Bis(dimethylamino)phenothiazin-5-ium chloride|Aizen Methylene Blue BH|Aizen Methylene Blue FZ|azul de metileno|Basic Blue 9|bleu de methylene|C.I. 52015|C.I. basic blue 009|Calcozine Blue ZF|Caswell No. 567|Ceruleum methylenum|Chlorure de methylthioninium|Chromosmon|CI Basic Blue 9|cloruro de metiltioninio|D and C Blue No. 1|D And C Blue Number 1|EINECS 200-515-2|EPA Pesticide Chemical Code 039505|Ext D and C Blue No. 1|External Blue 1|Hidaco Methylene Blue Salt Free|Izit Crystal Dye|Leather Pure Blue HB|M-B Tabs|METHYLENBLAU|Methylene Blue 2B|Methylene Blue 2BF|Methylene Blue 2BN|Methylene Blue 2BP|Methylene Blue A|Methylene Blue anhydrous|Methylene Blue B|Methylene Blue BB|Methylene Blue BBA|Methylene Blue BD|Methylene Blue BP|Methylene Blue BPC|Methylene Blue BX|Methylene Blue BZ|Methylene Blue chloride|Methylene Blue D|Methylene Blue FZ|Methylene Blue G|Methylene Blue GZ|Methylene Blue HGG|Methylene Blue IAD|Methylene Blue JFA|Methylene Blue N|Methylene B|1001913-24-1|1001914-35-7|105504-42-5|121067-62-7|1219638-11-5|12262-49-6|1341-90-8|167498-52-4|6476-03-5|923927-02-0|97130-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023296
ERPathway2016 ERPathway2016_59 C.I. Basic Blue 9 61-73-4 DTXSID0023296 ER Pathway Model, Agonist Call Active Unitless [Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1 C.I. Basic Blue 9 61-73-4|C.I. Basic Blue 9|3,7-BIS(DIMETHYLAMINO)PHENAZATHIONIUM CHLORIDE|3,7-Bis(dimethylamino)phenothiazin-5-ium chloride|Aizen Methylene Blue BH|Aizen Methylene Blue FZ|azul de metileno|Basic Blue 9|bleu de methylene|C.I. 52015|C.I. basic blue 009|Calcozine Blue ZF|Caswell No. 567|Ceruleum methylenum|Chlorure de methylthioninium|Chromosmon|CI Basic Blue 9|cloruro de metiltioninio|D and C Blue No. 1|D And C Blue Number 1|EINECS 200-515-2|EPA Pesticide Chemical Code 039505|Ext D and C Blue No. 1|External Blue 1|Hidaco Methylene Blue Salt Free|Izit Crystal Dye|Leather Pure Blue HB|M-B Tabs|METHYLENBLAU|Methylene Blue 2B|Methylene Blue 2BF|Methylene Blue 2BN|Methylene Blue 2BP|Methylene Blue A|Methylene Blue anhydrous|Methylene Blue B|Methylene Blue BB|Methylene Blue BBA|Methylene Blue BD|Methylene Blue BP|Methylene Blue BPC|Methylene Blue BX|Methylene Blue BZ|Methylene Blue chloride|Methylene Blue D|Methylene Blue FZ|Methylene Blue G|Methylene Blue GZ|Methylene Blue HGG|Methylene Blue IAD|Methylene Blue JFA|Methylene Blue N|Methylene B|1001913-24-1|1001914-35-7|105504-42-5|121067-62-7|1219638-11-5|12262-49-6|1341-90-8|167498-52-4|6476-03-5|923927-02-0|97130-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023296
ERPathway2016 ERPathway2016_59 C.I. Basic Blue 9 61-73-4 DTXSID0023296 ER Pathway Model, Antagonist Call Inactive Unitless [Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1 C.I. Basic Blue 9 61-73-4|C.I. Basic Blue 9|3,7-BIS(DIMETHYLAMINO)PHENAZATHIONIUM CHLORIDE|3,7-Bis(dimethylamino)phenothiazin-5-ium chloride|Aizen Methylene Blue BH|Aizen Methylene Blue FZ|azul de metileno|Basic Blue 9|bleu de methylene|C.I. 52015|C.I. basic blue 009|Calcozine Blue ZF|Caswell No. 567|Ceruleum methylenum|Chlorure de methylthioninium|Chromosmon|CI Basic Blue 9|cloruro de metiltioninio|D and C Blue No. 1|D And C Blue Number 1|EINECS 200-515-2|EPA Pesticide Chemical Code 039505|Ext D and C Blue No. 1|External Blue 1|Hidaco Methylene Blue Salt Free|Izit Crystal Dye|Leather Pure Blue HB|M-B Tabs|METHYLENBLAU|Methylene Blue 2B|Methylene Blue 2BF|Methylene Blue 2BN|Methylene Blue 2BP|Methylene Blue A|Methylene Blue anhydrous|Methylene Blue B|Methylene Blue BB|Methylene Blue BBA|Methylene Blue BD|Methylene Blue BP|Methylene Blue BPC|Methylene Blue BX|Methylene Blue BZ|Methylene Blue chloride|Methylene Blue D|Methylene Blue FZ|Methylene Blue G|Methylene Blue GZ|Methylene Blue HGG|Methylene Blue IAD|Methylene Blue JFA|Methylene Blue N|Methylene B|1001913-24-1|1001914-35-7|105504-42-5|121067-62-7|1219638-11-5|12262-49-6|1341-90-8|167498-52-4|6476-03-5|923927-02-0|97130-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023296
ARPathway2016 ARPathway2016_1067 C.I. Direct Red 81 disodium salt 2610-11-9 DTXSID5041726 0.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(=CC2=CC(NC(=O)C3=CC=CC=C3)=CC=C12)S([O-])(=O)=O C.I. Direct Red 81 disodium salt 2610-11-9|C.I. Direct Red 81 disodium salt|2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-((4-((4-sulfophenyl)azo)phenyl)azo)-, disodium salt|2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:2)|Airedale Red KD|Aizen Primula Red 4BH|Amanil Fast Red 8BL|Amanil Fast Red 8BLW|Belamine Fast Red 8 BL|Belamine Fast Red 8BL|Benzanil Fast Red K|Benzo Fast Red 8BL|Bordeaux EMBL|C.I. Direct Red 81|Calcodur Red 8BL|Chloramine Fast Red 5BL|Chloramine Fast Red K|Chlorantine Fast Red|Chlorantine Fast Red 5B|Chrome Leather Red 5B|Dialuminous Red 4B|Diaphtamine Light Red 4B|Diazine Fast Red 8BK|Diazo Light Red 8B|Diazo Light Red 8BD|Diazol Light Red 8B|Diphenyl Fast 5BL Supra I Red|Diphenyl Fast Red 5BL|Diphenyl Fast Red 5BLN|Direct Fast Red 2S|Direct Fast Red 5B|Direct Fast Red 8BL|Direct Light Red 4B|Direct Light Red 8B|Direct Light Red M 8BL|Direct Lightfast Red 2S|Direct Red 81 disodium salt|Disodium 7-benzamido-4-hydroxy-3-((4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2-sul|12237-71-7|134092-10-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041726
ARPathway2016 ARPathway2016_1067 C.I. Direct Red 81 disodium salt 2610-11-9 DTXSID5041726 0.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(=CC2=CC(NC(=O)C3=CC=CC=C3)=CC=C12)S([O-])(=O)=O C.I. Direct Red 81 disodium salt 2610-11-9|C.I. Direct Red 81 disodium salt|2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-((4-((4-sulfophenyl)azo)phenyl)azo)-, disodium salt|2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:2)|Airedale Red KD|Aizen Primula Red 4BH|Amanil Fast Red 8BL|Amanil Fast Red 8BLW|Belamine Fast Red 8 BL|Belamine Fast Red 8BL|Benzanil Fast Red K|Benzo Fast Red 8BL|Bordeaux EMBL|C.I. Direct Red 81|Calcodur Red 8BL|Chloramine Fast Red 5BL|Chloramine Fast Red K|Chlorantine Fast Red|Chlorantine Fast Red 5B|Chrome Leather Red 5B|Dialuminous Red 4B|Diaphtamine Light Red 4B|Diazine Fast Red 8BK|Diazo Light Red 8B|Diazo Light Red 8BD|Diazol Light Red 8B|Diphenyl Fast 5BL Supra I Red|Diphenyl Fast Red 5BL|Diphenyl Fast Red 5BLN|Direct Fast Red 2S|Direct Fast Red 5B|Direct Fast Red 8BL|Direct Light Red 4B|Direct Light Red 8B|Direct Light Red M 8BL|Direct Lightfast Red 2S|Direct Red 81 disodium salt|Disodium 7-benzamido-4-hydroxy-3-((4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2-sul|12237-71-7|134092-10-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041726
ARPathway2016 ARPathway2016_1067 C.I. Direct Red 81 disodium salt 2610-11-9 DTXSID5041726 0.0 A3 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(=CC2=CC(NC(=O)C3=CC=CC=C3)=CC=C12)S([O-])(=O)=O C.I. Direct Red 81 disodium salt 2610-11-9|C.I. Direct Red 81 disodium salt|2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-((4-((4-sulfophenyl)azo)phenyl)azo)-, disodium salt|2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:2)|Airedale Red KD|Aizen Primula Red 4BH|Amanil Fast Red 8BL|Amanil Fast Red 8BLW|Belamine Fast Red 8 BL|Belamine Fast Red 8BL|Benzanil Fast Red K|Benzo Fast Red 8BL|Bordeaux EMBL|C.I. Direct Red 81|Calcodur Red 8BL|Chloramine Fast Red 5BL|Chloramine Fast Red K|Chlorantine Fast Red|Chlorantine Fast Red 5B|Chrome Leather Red 5B|Dialuminous Red 4B|Diaphtamine Light Red 4B|Diazine Fast Red 8BK|Diazo Light Red 8B|Diazo Light Red 8BD|Diazol Light Red 8B|Diphenyl Fast 5BL Supra I Red|Diphenyl Fast Red 5BL|Diphenyl Fast Red 5BLN|Direct Fast Red 2S|Direct Fast Red 5B|Direct Fast Red 8BL|Direct Light Red 4B|Direct Light Red 8B|Direct Light Red M 8BL|Direct Lightfast Red 2S|Direct Red 81 disodium salt|Disodium 7-benzamido-4-hydroxy-3-((4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2-sul|12237-71-7|134092-10-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041726
ARPathway2016 ARPathway2016_1067 C.I. Direct Red 81 disodium salt 2610-11-9 DTXSID5041726 0.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(=CC2=CC(NC(=O)C3=CC=CC=C3)=CC=C12)S([O-])(=O)=O C.I. Direct Red 81 disodium salt 2610-11-9|C.I. Direct Red 81 disodium salt|2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-((4-((4-sulfophenyl)azo)phenyl)azo)-, disodium salt|2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:2)|Airedale Red KD|Aizen Primula Red 4BH|Amanil Fast Red 8BL|Amanil Fast Red 8BLW|Belamine Fast Red 8 BL|Belamine Fast Red 8BL|Benzanil Fast Red K|Benzo Fast Red 8BL|Bordeaux EMBL|C.I. Direct Red 81|Calcodur Red 8BL|Chloramine Fast Red 5BL|Chloramine Fast Red K|Chlorantine Fast Red|Chlorantine Fast Red 5B|Chrome Leather Red 5B|Dialuminous Red 4B|Diaphtamine Light Red 4B|Diazine Fast Red 8BK|Diazo Light Red 8B|Diazo Light Red 8BD|Diazol Light Red 8B|Diphenyl Fast 5BL Supra I Red|Diphenyl Fast Red 5BL|Diphenyl Fast Red 5BLN|Direct Fast Red 2S|Direct Fast Red 5B|Direct Fast Red 8BL|Direct Light Red 4B|Direct Light Red 8B|Direct Light Red M 8BL|Direct Lightfast Red 2S|Direct Red 81 disodium salt|Disodium 7-benzamido-4-hydroxy-3-((4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2-sul|12237-71-7|134092-10-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041726
ERPathway2016 ERPathway2016_630 C.I. Direct Red 81 disodium salt 2610-11-9 DTXSID5041726 A18 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(=CC2=CC(NC(=O)C3=CC=CC=C3)=CC=C12)S([O-])(=O)=O C.I. Direct Red 81 disodium salt 2610-11-9|C.I. Direct Red 81 disodium salt|2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-((4-((4-sulfophenyl)azo)phenyl)azo)-, disodium salt|2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:2)|Airedale Red KD|Aizen Primula Red 4BH|Amanil Fast Red 8BL|Amanil Fast Red 8BLW|Belamine Fast Red 8 BL|Belamine Fast Red 8BL|Benzanil Fast Red K|Benzo Fast Red 8BL|Bordeaux EMBL|C.I. Direct Red 81|Calcodur Red 8BL|Chloramine Fast Red 5BL|Chloramine Fast Red K|Chlorantine Fast Red|Chlorantine Fast Red 5B|Chrome Leather Red 5B|Dialuminous Red 4B|Diaphtamine Light Red 4B|Diazine Fast Red 8BK|Diazo Light Red 8B|Diazo Light Red 8BD|Diazol Light Red 8B|Diphenyl Fast 5BL Supra I Red|Diphenyl Fast Red 5BL|Diphenyl Fast Red 5BLN|Direct Fast Red 2S|Direct Fast Red 5B|Direct Fast Red 8BL|Direct Light Red 4B|Direct Light Red 8B|Direct Light Red M 8BL|Direct Lightfast Red 2S|Direct Red 81 disodium salt|Disodium 7-benzamido-4-hydroxy-3-((4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2-sul|12237-71-7|134092-10-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041726
ERPathway2016 ERPathway2016_630 C.I. Direct Red 81 disodium salt 2610-11-9 DTXSID5041726 A18 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(=CC2=CC(NC(=O)C3=CC=CC=C3)=CC=C12)S([O-])(=O)=O C.I. Direct Red 81 disodium salt 2610-11-9|C.I. Direct Red 81 disodium salt|2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-((4-((4-sulfophenyl)azo)phenyl)azo)-, disodium salt|2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:2)|Airedale Red KD|Aizen Primula Red 4BH|Amanil Fast Red 8BL|Amanil Fast Red 8BLW|Belamine Fast Red 8 BL|Belamine Fast Red 8BL|Benzanil Fast Red K|Benzo Fast Red 8BL|Bordeaux EMBL|C.I. Direct Red 81|Calcodur Red 8BL|Chloramine Fast Red 5BL|Chloramine Fast Red K|Chlorantine Fast Red|Chlorantine Fast Red 5B|Chrome Leather Red 5B|Dialuminous Red 4B|Diaphtamine Light Red 4B|Diazine Fast Red 8BK|Diazo Light Red 8B|Diazo Light Red 8BD|Diazol Light Red 8B|Diphenyl Fast 5BL Supra I Red|Diphenyl Fast Red 5BL|Diphenyl Fast Red 5BLN|Direct Fast Red 2S|Direct Fast Red 5B|Direct Fast Red 8BL|Direct Light Red 4B|Direct Light Red 8B|Direct Light Red M 8BL|Direct Lightfast Red 2S|Direct Red 81 disodium salt|Disodium 7-benzamido-4-hydroxy-3-((4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2-sul|12237-71-7|134092-10-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041726
ERPathway2016 ERPathway2016_630 C.I. Direct Red 81 disodium salt 2610-11-9 DTXSID5041726 A18 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(=CC2=CC(NC(=O)C3=CC=CC=C3)=CC=C12)S([O-])(=O)=O C.I. Direct Red 81 disodium salt 2610-11-9|C.I. Direct Red 81 disodium salt|2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-((4-((4-sulfophenyl)azo)phenyl)azo)-, disodium salt|2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:2)|Airedale Red KD|Aizen Primula Red 4BH|Amanil Fast Red 8BL|Amanil Fast Red 8BLW|Belamine Fast Red 8 BL|Belamine Fast Red 8BL|Benzanil Fast Red K|Benzo Fast Red 8BL|Bordeaux EMBL|C.I. Direct Red 81|Calcodur Red 8BL|Chloramine Fast Red 5BL|Chloramine Fast Red K|Chlorantine Fast Red|Chlorantine Fast Red 5B|Chrome Leather Red 5B|Dialuminous Red 4B|Diaphtamine Light Red 4B|Diazine Fast Red 8BK|Diazo Light Red 8B|Diazo Light Red 8BD|Diazol Light Red 8B|Diphenyl Fast 5BL Supra I Red|Diphenyl Fast Red 5BL|Diphenyl Fast Red 5BLN|Direct Fast Red 2S|Direct Fast Red 5B|Direct Fast Red 8BL|Direct Light Red 4B|Direct Light Red 8B|Direct Light Red M 8BL|Direct Lightfast Red 2S|Direct Red 81 disodium salt|Disodium 7-benzamido-4-hydroxy-3-((4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2-sul|12237-71-7|134092-10-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041726
ERPathway2016 ERPathway2016_630 C.I. Direct Red 81 disodium salt 2610-11-9 DTXSID5041726 A18 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(=CC2=CC(NC(=O)C3=CC=CC=C3)=CC=C12)S([O-])(=O)=O C.I. Direct Red 81 disodium salt 2610-11-9|C.I. Direct Red 81 disodium salt|2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-((4-((4-sulfophenyl)azo)phenyl)azo)-, disodium salt|2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:2)|Airedale Red KD|Aizen Primula Red 4BH|Amanil Fast Red 8BL|Amanil Fast Red 8BLW|Belamine Fast Red 8 BL|Belamine Fast Red 8BL|Benzanil Fast Red K|Benzo Fast Red 8BL|Bordeaux EMBL|C.I. Direct Red 81|Calcodur Red 8BL|Chloramine Fast Red 5BL|Chloramine Fast Red K|Chlorantine Fast Red|Chlorantine Fast Red 5B|Chrome Leather Red 5B|Dialuminous Red 4B|Diaphtamine Light Red 4B|Diazine Fast Red 8BK|Diazo Light Red 8B|Diazo Light Red 8BD|Diazol Light Red 8B|Diphenyl Fast 5BL Supra I Red|Diphenyl Fast Red 5BL|Diphenyl Fast Red 5BLN|Direct Fast Red 2S|Direct Fast Red 5B|Direct Fast Red 8BL|Direct Light Red 4B|Direct Light Red 8B|Direct Light Red M 8BL|Direct Lightfast Red 2S|Direct Red 81 disodium salt|Disodium 7-benzamido-4-hydroxy-3-((4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2-sul|12237-71-7|134092-10-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041726
ARPathway2016 ARPathway2016_360 C.I. Direct Yellow 12 2870-32-8 DTXSID5041728 0.0 Agonist AR Pathway Model, Antagonist ACC 7.31970397 uM [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(C=CC2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O C.I. Direct Yellow 12 2870-32-8|C.I. Direct Yellow 12|4,4'-Bis((p-ethoxyphenyl)azo)-2,2'-stilbenesulfonic acid disodium salt|Airedale Yellow CHD|Amanil Chrysophenine G|Atlantic Chrysophenine YA|Aurophenine O|Benzanil Yellow CH|Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-ethoxyphenyl)diazenyl]-, sodium salt (1:2)|Benzo Yellow LG|Calcomine Brilliant Yellow|Chrome Leather Yellow CH|Chrysophenine|Chrysophenine ESP|Chrysophenine Extra|Chrysophenine G|Chrysophenine G Extra|Chrysophenine GP|Chrysophenine J|Chrysophenine NS|Chrysophenine Y|Chrysophenine YA-CF|CI Direct Yellow 12|Cotton Yellow CH|Diazamine Yellow C|Diphenyl Chrysoine 3G|Diphenyl Chrysoine 3GP|Direct Yellow 12|Direct Yellow C|Direct Yellow CHD|Direct Yellow CV|Disodium 4,4'-bis((4-ethoxyphenyl)azo)stilbene-2,2'-disulphonate|EINECS 220-698-2|Erie Yellow Y|Fenamin Yellow CP|Fixanol Yellow 3G|Kayaku Chrysophenine GE|Kayaku Chrysophenine GN|Kayaku Chrysophenine GX|Mitsui Chrysophenine G|Mitsui Chrysophenine G No. 400|Mitsui Chrysophenine KG|NSC 47745|NSC 6178|Nylomine Acid Yellow C-4R|Peeramine Chr|125622-42-6|55208-64-5|86168-12-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041728
ARPathway2016 ARPathway2016_360 C.I. Direct Yellow 12 2870-32-8 DTXSID5041728 0.0 Agonist AR Pathway Model, Antagonist AC50 11.79084283 uM [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(C=CC2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O C.I. Direct Yellow 12 2870-32-8|C.I. Direct Yellow 12|4,4'-Bis((p-ethoxyphenyl)azo)-2,2'-stilbenesulfonic acid disodium salt|Airedale Yellow CHD|Amanil Chrysophenine G|Atlantic Chrysophenine YA|Aurophenine O|Benzanil Yellow CH|Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-ethoxyphenyl)diazenyl]-, sodium salt (1:2)|Benzo Yellow LG|Calcomine Brilliant Yellow|Chrome Leather Yellow CH|Chrysophenine|Chrysophenine ESP|Chrysophenine Extra|Chrysophenine G|Chrysophenine G Extra|Chrysophenine GP|Chrysophenine J|Chrysophenine NS|Chrysophenine Y|Chrysophenine YA-CF|CI Direct Yellow 12|Cotton Yellow CH|Diazamine Yellow C|Diphenyl Chrysoine 3G|Diphenyl Chrysoine 3GP|Direct Yellow 12|Direct Yellow C|Direct Yellow CHD|Direct Yellow CV|Disodium 4,4'-bis((4-ethoxyphenyl)azo)stilbene-2,2'-disulphonate|EINECS 220-698-2|Erie Yellow Y|Fenamin Yellow CP|Fixanol Yellow 3G|Kayaku Chrysophenine GE|Kayaku Chrysophenine GN|Kayaku Chrysophenine GX|Mitsui Chrysophenine G|Mitsui Chrysophenine G No. 400|Mitsui Chrysophenine KG|NSC 47745|NSC 6178|Nylomine Acid Yellow C-4R|Peeramine Chr|125622-42-6|55208-64-5|86168-12-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041728
ARPathway2016 ARPathway2016_360 C.I. Direct Yellow 12 2870-32-8 DTXSID5041728 0.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(C=CC2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O C.I. Direct Yellow 12 2870-32-8|C.I. Direct Yellow 12|4,4'-Bis((p-ethoxyphenyl)azo)-2,2'-stilbenesulfonic acid disodium salt|Airedale Yellow CHD|Amanil Chrysophenine G|Atlantic Chrysophenine YA|Aurophenine O|Benzanil Yellow CH|Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-ethoxyphenyl)diazenyl]-, sodium salt (1:2)|Benzo Yellow LG|Calcomine Brilliant Yellow|Chrome Leather Yellow CH|Chrysophenine|Chrysophenine ESP|Chrysophenine Extra|Chrysophenine G|Chrysophenine G Extra|Chrysophenine GP|Chrysophenine J|Chrysophenine NS|Chrysophenine Y|Chrysophenine YA-CF|CI Direct Yellow 12|Cotton Yellow CH|Diazamine Yellow C|Diphenyl Chrysoine 3G|Diphenyl Chrysoine 3GP|Direct Yellow 12|Direct Yellow C|Direct Yellow CHD|Direct Yellow CV|Disodium 4,4'-bis((4-ethoxyphenyl)azo)stilbene-2,2'-disulphonate|EINECS 220-698-2|Erie Yellow Y|Fenamin Yellow CP|Fixanol Yellow 3G|Kayaku Chrysophenine GE|Kayaku Chrysophenine GN|Kayaku Chrysophenine GX|Mitsui Chrysophenine G|Mitsui Chrysophenine G No. 400|Mitsui Chrysophenine KG|NSC 47745|NSC 6178|Nylomine Acid Yellow C-4R|Peeramine Chr|125622-42-6|55208-64-5|86168-12-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041728
ARPathway2016 ARPathway2016_360 C.I. Direct Yellow 12 2870-32-8 DTXSID5041728 0.0 Agonist AR Pathway Model, Agonist Model Score 0.0716 Unitless [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(C=CC2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O C.I. Direct Yellow 12 2870-32-8|C.I. Direct Yellow 12|4,4'-Bis((p-ethoxyphenyl)azo)-2,2'-stilbenesulfonic acid disodium salt|Airedale Yellow CHD|Amanil Chrysophenine G|Atlantic Chrysophenine YA|Aurophenine O|Benzanil Yellow CH|Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-ethoxyphenyl)diazenyl]-, sodium salt (1:2)|Benzo Yellow LG|Calcomine Brilliant Yellow|Chrome Leather Yellow CH|Chrysophenine|Chrysophenine ESP|Chrysophenine Extra|Chrysophenine G|Chrysophenine G Extra|Chrysophenine GP|Chrysophenine J|Chrysophenine NS|Chrysophenine Y|Chrysophenine YA-CF|CI Direct Yellow 12|Cotton Yellow CH|Diazamine Yellow C|Diphenyl Chrysoine 3G|Diphenyl Chrysoine 3GP|Direct Yellow 12|Direct Yellow C|Direct Yellow CHD|Direct Yellow CV|Disodium 4,4'-bis((4-ethoxyphenyl)azo)stilbene-2,2'-disulphonate|EINECS 220-698-2|Erie Yellow Y|Fenamin Yellow CP|Fixanol Yellow 3G|Kayaku Chrysophenine GE|Kayaku Chrysophenine GN|Kayaku Chrysophenine GX|Mitsui Chrysophenine G|Mitsui Chrysophenine G No. 400|Mitsui Chrysophenine KG|NSC 47745|NSC 6178|Nylomine Acid Yellow C-4R|Peeramine Chr|125622-42-6|55208-64-5|86168-12-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041728
ARPathway2016 ARPathway2016_360 C.I. Direct Yellow 12 2870-32-8 DTXSID5041728 0.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(C=CC2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O C.I. Direct Yellow 12 2870-32-8|C.I. Direct Yellow 12|4,4'-Bis((p-ethoxyphenyl)azo)-2,2'-stilbenesulfonic acid disodium salt|Airedale Yellow CHD|Amanil Chrysophenine G|Atlantic Chrysophenine YA|Aurophenine O|Benzanil Yellow CH|Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-ethoxyphenyl)diazenyl]-, sodium salt (1:2)|Benzo Yellow LG|Calcomine Brilliant Yellow|Chrome Leather Yellow CH|Chrysophenine|Chrysophenine ESP|Chrysophenine Extra|Chrysophenine G|Chrysophenine G Extra|Chrysophenine GP|Chrysophenine J|Chrysophenine NS|Chrysophenine Y|Chrysophenine YA-CF|CI Direct Yellow 12|Cotton Yellow CH|Diazamine Yellow C|Diphenyl Chrysoine 3G|Diphenyl Chrysoine 3GP|Direct Yellow 12|Direct Yellow C|Direct Yellow CHD|Direct Yellow CV|Disodium 4,4'-bis((4-ethoxyphenyl)azo)stilbene-2,2'-disulphonate|EINECS 220-698-2|Erie Yellow Y|Fenamin Yellow CP|Fixanol Yellow 3G|Kayaku Chrysophenine GE|Kayaku Chrysophenine GN|Kayaku Chrysophenine GX|Mitsui Chrysophenine G|Mitsui Chrysophenine G No. 400|Mitsui Chrysophenine KG|NSC 47745|NSC 6178|Nylomine Acid Yellow C-4R|Peeramine Chr|125622-42-6|55208-64-5|86168-12-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041728
ARPathway2016 ARPathway2016_360 C.I. Direct Yellow 12 2870-32-8 DTXSID5041728 0.0 Agonist AR Pathway Model, Antagonist Call Active Unitless [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(C=CC2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O C.I. Direct Yellow 12 2870-32-8|C.I. Direct Yellow 12|4,4'-Bis((p-ethoxyphenyl)azo)-2,2'-stilbenesulfonic acid disodium salt|Airedale Yellow CHD|Amanil Chrysophenine G|Atlantic Chrysophenine YA|Aurophenine O|Benzanil Yellow CH|Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-ethoxyphenyl)diazenyl]-, sodium salt (1:2)|Benzo Yellow LG|Calcomine Brilliant Yellow|Chrome Leather Yellow CH|Chrysophenine|Chrysophenine ESP|Chrysophenine Extra|Chrysophenine G|Chrysophenine G Extra|Chrysophenine GP|Chrysophenine J|Chrysophenine NS|Chrysophenine Y|Chrysophenine YA-CF|CI Direct Yellow 12|Cotton Yellow CH|Diazamine Yellow C|Diphenyl Chrysoine 3G|Diphenyl Chrysoine 3GP|Direct Yellow 12|Direct Yellow C|Direct Yellow CHD|Direct Yellow CV|Disodium 4,4'-bis((4-ethoxyphenyl)azo)stilbene-2,2'-disulphonate|EINECS 220-698-2|Erie Yellow Y|Fenamin Yellow CP|Fixanol Yellow 3G|Kayaku Chrysophenine GE|Kayaku Chrysophenine GN|Kayaku Chrysophenine GX|Mitsui Chrysophenine G|Mitsui Chrysophenine G No. 400|Mitsui Chrysophenine KG|NSC 47745|NSC 6178|Nylomine Acid Yellow C-4R|Peeramine Chr|125622-42-6|55208-64-5|86168-12-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041728
ERPathway2016 ERPathway2016_696 C.I. Direct Yellow 12 2870-32-8 DTXSID5041728 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(C=CC2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O C.I. Direct Yellow 12 2870-32-8|C.I. Direct Yellow 12|4,4'-Bis((p-ethoxyphenyl)azo)-2,2'-stilbenesulfonic acid disodium salt|Airedale Yellow CHD|Amanil Chrysophenine G|Atlantic Chrysophenine YA|Aurophenine O|Benzanil Yellow CH|Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-ethoxyphenyl)diazenyl]-, sodium salt (1:2)|Benzo Yellow LG|Calcomine Brilliant Yellow|Chrome Leather Yellow CH|Chrysophenine|Chrysophenine ESP|Chrysophenine Extra|Chrysophenine G|Chrysophenine G Extra|Chrysophenine GP|Chrysophenine J|Chrysophenine NS|Chrysophenine Y|Chrysophenine YA-CF|CI Direct Yellow 12|Cotton Yellow CH|Diazamine Yellow C|Diphenyl Chrysoine 3G|Diphenyl Chrysoine 3GP|Direct Yellow 12|Direct Yellow C|Direct Yellow CHD|Direct Yellow CV|Disodium 4,4'-bis((4-ethoxyphenyl)azo)stilbene-2,2'-disulphonate|EINECS 220-698-2|Erie Yellow Y|Fenamin Yellow CP|Fixanol Yellow 3G|Kayaku Chrysophenine GE|Kayaku Chrysophenine GN|Kayaku Chrysophenine GX|Mitsui Chrysophenine G|Mitsui Chrysophenine G No. 400|Mitsui Chrysophenine KG|NSC 47745|NSC 6178|Nylomine Acid Yellow C-4R|Peeramine Chr|125622-42-6|55208-64-5|86168-12-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041728
ERPathway2016 ERPathway2016_696 C.I. Direct Yellow 12 2870-32-8 DTXSID5041728 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(C=CC2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O C.I. Direct Yellow 12 2870-32-8|C.I. Direct Yellow 12|4,4'-Bis((p-ethoxyphenyl)azo)-2,2'-stilbenesulfonic acid disodium salt|Airedale Yellow CHD|Amanil Chrysophenine G|Atlantic Chrysophenine YA|Aurophenine O|Benzanil Yellow CH|Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-ethoxyphenyl)diazenyl]-, sodium salt (1:2)|Benzo Yellow LG|Calcomine Brilliant Yellow|Chrome Leather Yellow CH|Chrysophenine|Chrysophenine ESP|Chrysophenine Extra|Chrysophenine G|Chrysophenine G Extra|Chrysophenine GP|Chrysophenine J|Chrysophenine NS|Chrysophenine Y|Chrysophenine YA-CF|CI Direct Yellow 12|Cotton Yellow CH|Diazamine Yellow C|Diphenyl Chrysoine 3G|Diphenyl Chrysoine 3GP|Direct Yellow 12|Direct Yellow C|Direct Yellow CHD|Direct Yellow CV|Disodium 4,4'-bis((4-ethoxyphenyl)azo)stilbene-2,2'-disulphonate|EINECS 220-698-2|Erie Yellow Y|Fenamin Yellow CP|Fixanol Yellow 3G|Kayaku Chrysophenine GE|Kayaku Chrysophenine GN|Kayaku Chrysophenine GX|Mitsui Chrysophenine G|Mitsui Chrysophenine G No. 400|Mitsui Chrysophenine KG|NSC 47745|NSC 6178|Nylomine Acid Yellow C-4R|Peeramine Chr|125622-42-6|55208-64-5|86168-12-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041728
ERPathway2016 ERPathway2016_696 C.I. Direct Yellow 12 2870-32-8 DTXSID5041728 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(C=CC2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O C.I. Direct Yellow 12 2870-32-8|C.I. Direct Yellow 12|4,4'-Bis((p-ethoxyphenyl)azo)-2,2'-stilbenesulfonic acid disodium salt|Airedale Yellow CHD|Amanil Chrysophenine G|Atlantic Chrysophenine YA|Aurophenine O|Benzanil Yellow CH|Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-ethoxyphenyl)diazenyl]-, sodium salt (1:2)|Benzo Yellow LG|Calcomine Brilliant Yellow|Chrome Leather Yellow CH|Chrysophenine|Chrysophenine ESP|Chrysophenine Extra|Chrysophenine G|Chrysophenine G Extra|Chrysophenine GP|Chrysophenine J|Chrysophenine NS|Chrysophenine Y|Chrysophenine YA-CF|CI Direct Yellow 12|Cotton Yellow CH|Diazamine Yellow C|Diphenyl Chrysoine 3G|Diphenyl Chrysoine 3GP|Direct Yellow 12|Direct Yellow C|Direct Yellow CHD|Direct Yellow CV|Disodium 4,4'-bis((4-ethoxyphenyl)azo)stilbene-2,2'-disulphonate|EINECS 220-698-2|Erie Yellow Y|Fenamin Yellow CP|Fixanol Yellow 3G|Kayaku Chrysophenine GE|Kayaku Chrysophenine GN|Kayaku Chrysophenine GX|Mitsui Chrysophenine G|Mitsui Chrysophenine G No. 400|Mitsui Chrysophenine KG|NSC 47745|NSC 6178|Nylomine Acid Yellow C-4R|Peeramine Chr|125622-42-6|55208-64-5|86168-12-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041728
ERPathway2016 ERPathway2016_696 C.I. Direct Yellow 12 2870-32-8 DTXSID5041728 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].CCOC1=CC=C(C=C1)N=NC1=CC=C(C=CC2=CC=C(C=C2S([O-])(=O)=O)N=NC2=CC=C(OCC)C=C2)C(=C1)S([O-])(=O)=O C.I. Direct Yellow 12 2870-32-8|C.I. Direct Yellow 12|4,4'-Bis((p-ethoxyphenyl)azo)-2,2'-stilbenesulfonic acid disodium salt|Airedale Yellow CHD|Amanil Chrysophenine G|Atlantic Chrysophenine YA|Aurophenine O|Benzanil Yellow CH|Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-ethoxyphenyl)diazenyl]-, sodium salt (1:2)|Benzo Yellow LG|Calcomine Brilliant Yellow|Chrome Leather Yellow CH|Chrysophenine|Chrysophenine ESP|Chrysophenine Extra|Chrysophenine G|Chrysophenine G Extra|Chrysophenine GP|Chrysophenine J|Chrysophenine NS|Chrysophenine Y|Chrysophenine YA-CF|CI Direct Yellow 12|Cotton Yellow CH|Diazamine Yellow C|Diphenyl Chrysoine 3G|Diphenyl Chrysoine 3GP|Direct Yellow 12|Direct Yellow C|Direct Yellow CHD|Direct Yellow CV|Disodium 4,4'-bis((4-ethoxyphenyl)azo)stilbene-2,2'-disulphonate|EINECS 220-698-2|Erie Yellow Y|Fenamin Yellow CP|Fixanol Yellow 3G|Kayaku Chrysophenine GE|Kayaku Chrysophenine GN|Kayaku Chrysophenine GX|Mitsui Chrysophenine G|Mitsui Chrysophenine G No. 400|Mitsui Chrysophenine KG|NSC 47745|NSC 6178|Nylomine Acid Yellow C-4R|Peeramine Chr|125622-42-6|55208-64-5|86168-12-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041728
ARPathway2016 ARPathway2016_34 C.I. Disperse Black 6 119-90-4 DTXSID3025091 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 20.6682378645434 uM COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1 C.I. Disperse Black 6 119-90-4|C.I. Disperse Black 6|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|204-355-4|3,3'-Dianisidine|3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidin|3,3'-Dimethoxybenzidine|3,3'-Dimethoxybiphenyl-4,4'-diamine|3,3'-Dimetossibenzodina|3,3'-dimetoxibencidina|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidine|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethoxybiphenyl|4,4'-Diamino-3,3'-dimethoxydiphenyl|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|Acetamine Diazo Black RD|Acetamine Diazo Navy RD|Amacel Developed Navy SD|Azoene Fast Blue Base|Azofix Blue B Salt|Azogene Fast Blue B|Azogene Fast Blue B Salt|Benzidene, 3,3'-dimethoxy-|BENZIDINE, 3,3'-DIMETHOXY-|Benzidine, 3,3'-dimethoxy-|B|59777-10-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025091 https://doi.org/10.22427/NTP-DATA-DTXSID3025091
ARPathway2016 ARPathway2016_34 C.I. Disperse Black 6 119-90-4 DTXSID3025091 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 21.0678701168849 uM COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1 C.I. Disperse Black 6 119-90-4|C.I. Disperse Black 6|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|204-355-4|3,3'-Dianisidine|3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidin|3,3'-Dimethoxybenzidine|3,3'-Dimethoxybiphenyl-4,4'-diamine|3,3'-Dimetossibenzodina|3,3'-dimetoxibencidina|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidine|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethoxybiphenyl|4,4'-Diamino-3,3'-dimethoxydiphenyl|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|Acetamine Diazo Black RD|Acetamine Diazo Navy RD|Amacel Developed Navy SD|Azoene Fast Blue Base|Azofix Blue B Salt|Azogene Fast Blue B|Azogene Fast Blue B Salt|Benzidene, 3,3'-dimethoxy-|BENZIDINE, 3,3'-DIMETHOXY-|Benzidine, 3,3'-dimethoxy-|B|59777-10-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025091 https://doi.org/10.22427/NTP-DATA-DTXSID3025091
ARPathway2016 ARPathway2016_34 C.I. Disperse Black 6 119-90-4 DTXSID3025091 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0693 Unitless COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1 C.I. Disperse Black 6 119-90-4|C.I. Disperse Black 6|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|204-355-4|3,3'-Dianisidine|3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidin|3,3'-Dimethoxybenzidine|3,3'-Dimethoxybiphenyl-4,4'-diamine|3,3'-Dimetossibenzodina|3,3'-dimetoxibencidina|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidine|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethoxybiphenyl|4,4'-Diamino-3,3'-dimethoxydiphenyl|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|Acetamine Diazo Black RD|Acetamine Diazo Navy RD|Amacel Developed Navy SD|Azoene Fast Blue Base|Azofix Blue B Salt|Azogene Fast Blue B|Azogene Fast Blue B Salt|Benzidene, 3,3'-dimethoxy-|BENZIDINE, 3,3'-DIMETHOXY-|Benzidine, 3,3'-dimethoxy-|B|59777-10-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025091 https://doi.org/10.22427/NTP-DATA-DTXSID3025091
ARPathway2016 ARPathway2016_34 C.I. Disperse Black 6 119-90-4 DTXSID3025091 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1 C.I. Disperse Black 6 119-90-4|C.I. Disperse Black 6|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|204-355-4|3,3'-Dianisidine|3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidin|3,3'-Dimethoxybenzidine|3,3'-Dimethoxybiphenyl-4,4'-diamine|3,3'-Dimetossibenzodina|3,3'-dimetoxibencidina|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidine|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethoxybiphenyl|4,4'-Diamino-3,3'-dimethoxydiphenyl|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|Acetamine Diazo Black RD|Acetamine Diazo Navy RD|Amacel Developed Navy SD|Azoene Fast Blue Base|Azofix Blue B Salt|Azogene Fast Blue B|Azogene Fast Blue B Salt|Benzidene, 3,3'-dimethoxy-|BENZIDINE, 3,3'-DIMETHOXY-|Benzidine, 3,3'-dimethoxy-|B|59777-10-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025091 https://doi.org/10.22427/NTP-DATA-DTXSID3025091
ARPathway2016 ARPathway2016_34 C.I. Disperse Black 6 119-90-4 DTXSID3025091 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1 C.I. Disperse Black 6 119-90-4|C.I. Disperse Black 6|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|204-355-4|3,3'-Dianisidine|3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidin|3,3'-Dimethoxybenzidine|3,3'-Dimethoxybiphenyl-4,4'-diamine|3,3'-Dimetossibenzodina|3,3'-dimetoxibencidina|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidine|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethoxybiphenyl|4,4'-Diamino-3,3'-dimethoxydiphenyl|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|Acetamine Diazo Black RD|Acetamine Diazo Navy RD|Amacel Developed Navy SD|Azoene Fast Blue Base|Azofix Blue B Salt|Azogene Fast Blue B|Azogene Fast Blue B Salt|Benzidene, 3,3'-dimethoxy-|BENZIDINE, 3,3'-DIMETHOXY-|Benzidine, 3,3'-dimethoxy-|B|59777-10-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025091 https://doi.org/10.22427/NTP-DATA-DTXSID3025091
ARPathway2016 ARPathway2016_34 C.I. Disperse Black 6 119-90-4 DTXSID3025091 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1 C.I. Disperse Black 6 119-90-4|C.I. Disperse Black 6|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|204-355-4|3,3'-Dianisidine|3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidin|3,3'-Dimethoxybenzidine|3,3'-Dimethoxybiphenyl-4,4'-diamine|3,3'-Dimetossibenzodina|3,3'-dimetoxibencidina|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidine|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethoxybiphenyl|4,4'-Diamino-3,3'-dimethoxydiphenyl|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|Acetamine Diazo Black RD|Acetamine Diazo Navy RD|Amacel Developed Navy SD|Azoene Fast Blue Base|Azofix Blue B Salt|Azogene Fast Blue B|Azogene Fast Blue B Salt|Benzidene, 3,3'-dimethoxy-|BENZIDINE, 3,3'-DIMETHOXY-|Benzidine, 3,3'-dimethoxy-|B|59777-10-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025091 https://doi.org/10.22427/NTP-DATA-DTXSID3025091
ERPathway2016 ERPathway2016_814 C.I. Disperse Black 6 119-90-4 DTXSID3025091 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1 C.I. Disperse Black 6 119-90-4|C.I. Disperse Black 6|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|204-355-4|3,3'-Dianisidine|3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidin|3,3'-Dimethoxybenzidine|3,3'-Dimethoxybiphenyl-4,4'-diamine|3,3'-Dimetossibenzodina|3,3'-dimetoxibencidina|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidine|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethoxybiphenyl|4,4'-Diamino-3,3'-dimethoxydiphenyl|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|Acetamine Diazo Black RD|Acetamine Diazo Navy RD|Amacel Developed Navy SD|Azoene Fast Blue Base|Azofix Blue B Salt|Azogene Fast Blue B|Azogene Fast Blue B Salt|Benzidene, 3,3'-dimethoxy-|BENZIDINE, 3,3'-DIMETHOXY-|Benzidine, 3,3'-dimethoxy-|B|59777-10-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025091 https://doi.org/10.22427/NTP-DATA-DTXSID3025091
ERPathway2016 ERPathway2016_814 C.I. Disperse Black 6 119-90-4 DTXSID3025091 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1 C.I. Disperse Black 6 119-90-4|C.I. Disperse Black 6|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|204-355-4|3,3'-Dianisidine|3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidin|3,3'-Dimethoxybenzidine|3,3'-Dimethoxybiphenyl-4,4'-diamine|3,3'-Dimetossibenzodina|3,3'-dimetoxibencidina|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidine|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethoxybiphenyl|4,4'-Diamino-3,3'-dimethoxydiphenyl|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|Acetamine Diazo Black RD|Acetamine Diazo Navy RD|Amacel Developed Navy SD|Azoene Fast Blue Base|Azofix Blue B Salt|Azogene Fast Blue B|Azogene Fast Blue B Salt|Benzidene, 3,3'-dimethoxy-|BENZIDINE, 3,3'-DIMETHOXY-|Benzidine, 3,3'-dimethoxy-|B|59777-10-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025091 https://doi.org/10.22427/NTP-DATA-DTXSID3025091
ERPathway2016 ERPathway2016_814 C.I. Disperse Black 6 119-90-4 DTXSID3025091 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1 C.I. Disperse Black 6 119-90-4|C.I. Disperse Black 6|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|204-355-4|3,3'-Dianisidine|3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidin|3,3'-Dimethoxybenzidine|3,3'-Dimethoxybiphenyl-4,4'-diamine|3,3'-Dimetossibenzodina|3,3'-dimetoxibencidina|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidine|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethoxybiphenyl|4,4'-Diamino-3,3'-dimethoxydiphenyl|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|Acetamine Diazo Black RD|Acetamine Diazo Navy RD|Amacel Developed Navy SD|Azoene Fast Blue Base|Azofix Blue B Salt|Azogene Fast Blue B|Azogene Fast Blue B Salt|Benzidene, 3,3'-dimethoxy-|BENZIDINE, 3,3'-DIMETHOXY-|Benzidine, 3,3'-dimethoxy-|B|59777-10-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025091 https://doi.org/10.22427/NTP-DATA-DTXSID3025091
ERPathway2016 ERPathway2016_814 C.I. Disperse Black 6 119-90-4 DTXSID3025091 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1 C.I. Disperse Black 6 119-90-4|C.I. Disperse Black 6|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-|204-355-4|3,3'-Dianisidine|3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidin|3,3'-Dimethoxybenzidine|3,3'-Dimethoxybiphenyl-4,4'-diamine|3,3'-Dimetossibenzodina|3,3'-dimetoxibencidina|3,3'-Dimethoxy-4,4'-diaminobiphenyl|3,3'-Dimethoxy-4,4'-diaminodiphenyl|3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diamine|3,3'-Dimethoxybenzidene|3,3'-Dimethoxybenzidine|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|4,4'-Diamino-3,3'-dimethoxybiphenyl|4,4'-Diamino-3,3'-dimethoxydiphenyl|4,4'-Bi-o-anisidine|4,4'-Diamino-3,3'-dimethoxy-1,1'-biphenyl|Acetamine Diazo Black RD|Acetamine Diazo Navy RD|Amacel Developed Navy SD|Azoene Fast Blue Base|Azofix Blue B Salt|Azogene Fast Blue B|Azogene Fast Blue B Salt|Benzidene, 3,3'-dimethoxy-|BENZIDINE, 3,3'-DIMETHOXY-|Benzidine, 3,3'-dimethoxy-|B|59777-10-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025091 https://doi.org/10.22427/NTP-DATA-DTXSID3025091
ARPathway2016 ARPathway2016_107 C.I. Disperse Black 6 dihydrochloride 20325-40-0 DTXSID1020485 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 21.14499692 uM Cl.Cl.COC1=CC(=CC=C1N)C1=CC=C(N)C(OC)=C1 C.I. Disperse Black 6 dihydrochloride 20325-40-0|C.I. Disperse Black 6 dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-, dihydrochloride|[1, 1'- Biphenyl] - 4, 4'- diamine, 3, 3'- dimethoxy- , hydrochloride (1:2)|243-737-5|3,3'-Dimethoxybenzidine dihydrochloride|3,3'-dimethoxybiphenyl-4,4'-ylenediammonium dichloride|Benzidine, 3,3'-dimethoxy-, dihydrochloride|EC No.: 243-737-5|EINECS 243-737-5|o-Dianisidine dihydrochloride https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020485 https://doi.org/10.22427/NTP-DATA-DTXSID1020485
ARPathway2016 ARPathway2016_107 C.I. Disperse Black 6 dihydrochloride 20325-40-0 DTXSID1020485 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 26.7505812724412 uM Cl.Cl.COC1=CC(=CC=C1N)C1=CC=C(N)C(OC)=C1 C.I. Disperse Black 6 dihydrochloride 20325-40-0|C.I. Disperse Black 6 dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-, dihydrochloride|[1, 1'- Biphenyl] - 4, 4'- diamine, 3, 3'- dimethoxy- , hydrochloride (1:2)|243-737-5|3,3'-Dimethoxybenzidine dihydrochloride|3,3'-dimethoxybiphenyl-4,4'-ylenediammonium dichloride|Benzidine, 3,3'-dimethoxy-, dihydrochloride|EC No.: 243-737-5|EINECS 243-737-5|o-Dianisidine dihydrochloride https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020485 https://doi.org/10.22427/NTP-DATA-DTXSID1020485
ARPathway2016 ARPathway2016_107 C.I. Disperse Black 6 dihydrochloride 20325-40-0 DTXSID1020485 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.287 Unitless Cl.Cl.COC1=CC(=CC=C1N)C1=CC=C(N)C(OC)=C1 C.I. Disperse Black 6 dihydrochloride 20325-40-0|C.I. Disperse Black 6 dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-, dihydrochloride|[1, 1'- Biphenyl] - 4, 4'- diamine, 3, 3'- dimethoxy- , hydrochloride (1:2)|243-737-5|3,3'-Dimethoxybenzidine dihydrochloride|3,3'-dimethoxybiphenyl-4,4'-ylenediammonium dichloride|Benzidine, 3,3'-dimethoxy-, dihydrochloride|EC No.: 243-737-5|EINECS 243-737-5|o-Dianisidine dihydrochloride https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020485 https://doi.org/10.22427/NTP-DATA-DTXSID1020485
ARPathway2016 ARPathway2016_107 C.I. Disperse Black 6 dihydrochloride 20325-40-0 DTXSID1020485 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless Cl.Cl.COC1=CC(=CC=C1N)C1=CC=C(N)C(OC)=C1 C.I. Disperse Black 6 dihydrochloride 20325-40-0|C.I. Disperse Black 6 dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-, dihydrochloride|[1, 1'- Biphenyl] - 4, 4'- diamine, 3, 3'- dimethoxy- , hydrochloride (1:2)|243-737-5|3,3'-Dimethoxybenzidine dihydrochloride|3,3'-dimethoxybiphenyl-4,4'-ylenediammonium dichloride|Benzidine, 3,3'-dimethoxy-, dihydrochloride|EC No.: 243-737-5|EINECS 243-737-5|o-Dianisidine dihydrochloride https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020485 https://doi.org/10.22427/NTP-DATA-DTXSID1020485
ARPathway2016 ARPathway2016_107 C.I. Disperse Black 6 dihydrochloride 20325-40-0 DTXSID1020485 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Cl.Cl.COC1=CC(=CC=C1N)C1=CC=C(N)C(OC)=C1 C.I. Disperse Black 6 dihydrochloride 20325-40-0|C.I. Disperse Black 6 dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-, dihydrochloride|[1, 1'- Biphenyl] - 4, 4'- diamine, 3, 3'- dimethoxy- , hydrochloride (1:2)|243-737-5|3,3'-Dimethoxybenzidine dihydrochloride|3,3'-dimethoxybiphenyl-4,4'-ylenediammonium dichloride|Benzidine, 3,3'-dimethoxy-, dihydrochloride|EC No.: 243-737-5|EINECS 243-737-5|o-Dianisidine dihydrochloride https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020485 https://doi.org/10.22427/NTP-DATA-DTXSID1020485
ARPathway2016 ARPathway2016_107 C.I. Disperse Black 6 dihydrochloride 20325-40-0 DTXSID1020485 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Cl.Cl.COC1=CC(=CC=C1N)C1=CC=C(N)C(OC)=C1 C.I. Disperse Black 6 dihydrochloride 20325-40-0|C.I. Disperse Black 6 dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-, dihydrochloride|[1, 1'- Biphenyl] - 4, 4'- diamine, 3, 3'- dimethoxy- , hydrochloride (1:2)|243-737-5|3,3'-Dimethoxybenzidine dihydrochloride|3,3'-dimethoxybiphenyl-4,4'-ylenediammonium dichloride|Benzidine, 3,3'-dimethoxy-, dihydrochloride|EC No.: 243-737-5|EINECS 243-737-5|o-Dianisidine dihydrochloride https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020485 https://doi.org/10.22427/NTP-DATA-DTXSID1020485
ERPathway2016 ERPathway2016_726 C.I. Disperse Black 6 dihydrochloride 20325-40-0 DTXSID1020485 A13 ER Pathway Model, Agonist Model Score 0 Unitless Cl.Cl.COC1=CC(=CC=C1N)C1=CC=C(N)C(OC)=C1 C.I. Disperse Black 6 dihydrochloride 20325-40-0|C.I. Disperse Black 6 dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-, dihydrochloride|[1, 1'- Biphenyl] - 4, 4'- diamine, 3, 3'- dimethoxy- , hydrochloride (1:2)|243-737-5|3,3'-Dimethoxybenzidine dihydrochloride|3,3'-dimethoxybiphenyl-4,4'-ylenediammonium dichloride|Benzidine, 3,3'-dimethoxy-, dihydrochloride|EC No.: 243-737-5|EINECS 243-737-5|o-Dianisidine dihydrochloride https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020485 https://doi.org/10.22427/NTP-DATA-DTXSID1020485
ERPathway2016 ERPathway2016_726 C.I. Disperse Black 6 dihydrochloride 20325-40-0 DTXSID1020485 A13 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.Cl.COC1=CC(=CC=C1N)C1=CC=C(N)C(OC)=C1 C.I. Disperse Black 6 dihydrochloride 20325-40-0|C.I. Disperse Black 6 dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-, dihydrochloride|[1, 1'- Biphenyl] - 4, 4'- diamine, 3, 3'- dimethoxy- , hydrochloride (1:2)|243-737-5|3,3'-Dimethoxybenzidine dihydrochloride|3,3'-dimethoxybiphenyl-4,4'-ylenediammonium dichloride|Benzidine, 3,3'-dimethoxy-, dihydrochloride|EC No.: 243-737-5|EINECS 243-737-5|o-Dianisidine dihydrochloride https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020485 https://doi.org/10.22427/NTP-DATA-DTXSID1020485
ERPathway2016 ERPathway2016_726 C.I. Disperse Black 6 dihydrochloride 20325-40-0 DTXSID1020485 A13 ER Pathway Model, Agonist Call Inactive Unitless Cl.Cl.COC1=CC(=CC=C1N)C1=CC=C(N)C(OC)=C1 C.I. Disperse Black 6 dihydrochloride 20325-40-0|C.I. Disperse Black 6 dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-, dihydrochloride|[1, 1'- Biphenyl] - 4, 4'- diamine, 3, 3'- dimethoxy- , hydrochloride (1:2)|243-737-5|3,3'-Dimethoxybenzidine dihydrochloride|3,3'-dimethoxybiphenyl-4,4'-ylenediammonium dichloride|Benzidine, 3,3'-dimethoxy-, dihydrochloride|EC No.: 243-737-5|EINECS 243-737-5|o-Dianisidine dihydrochloride https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020485 https://doi.org/10.22427/NTP-DATA-DTXSID1020485
ERPathway2016 ERPathway2016_726 C.I. Disperse Black 6 dihydrochloride 20325-40-0 DTXSID1020485 A13 ER Pathway Model, Antagonist Call Inactive Unitless Cl.Cl.COC1=CC(=CC=C1N)C1=CC=C(N)C(OC)=C1 C.I. Disperse Black 6 dihydrochloride 20325-40-0|C.I. Disperse Black 6 dihydrochloride|[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethoxy-, dihydrochloride|[1, 1'- Biphenyl] - 4, 4'- diamine, 3, 3'- dimethoxy- , hydrochloride (1:2)|243-737-5|3,3'-Dimethoxybenzidine dihydrochloride|3,3'-dimethoxybiphenyl-4,4'-ylenediammonium dichloride|Benzidine, 3,3'-dimethoxy-, dihydrochloride|EC No.: 243-737-5|EINECS 243-737-5|o-Dianisidine dihydrochloride https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020485 https://doi.org/10.22427/NTP-DATA-DTXSID1020485
ARPathway2016 ARPathway2016_56 C.I. Disperse Orange 37 13301-61-6 DTXSID9044538 True antagonist shift (No hit/Hit) 3.0 A3 AR Pathway Model, Agonist AC50 19.04977981 uM CCN(CCC#N)C1=CC=C(C=C1)N=NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O C.I. Disperse Orange 37 13301-61-6|C.I. Disperse Orange 37|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propanenitrile|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propiononitrile List Acronyms|3-(p-((2,6-Dichloro-4-nitrophenyl)azo)-N-ethylanilino)propionitrile|Disperse Orange 37|EINECS 236-325-1|Propanenitrile, 3-((4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)ethylamino)-|Propanenitrile, 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]-|Propanenitrile, 3-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-|Propanonitrile, 3-(ethyl(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-|12223-33-5|51811-42-8|71819-66-4|88651-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044538
ARPathway2016 ARPathway2016_56 C.I. Disperse Orange 37 13301-61-6 DTXSID9044538 True antagonist shift (No hit/Hit) 3.0 A3 AR Pathway Model, Agonist ACC 16.53788512 uM CCN(CCC#N)C1=CC=C(C=C1)N=NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O C.I. Disperse Orange 37 13301-61-6|C.I. Disperse Orange 37|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propanenitrile|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propiononitrile List Acronyms|3-(p-((2,6-Dichloro-4-nitrophenyl)azo)-N-ethylanilino)propionitrile|Disperse Orange 37|EINECS 236-325-1|Propanenitrile, 3-((4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)ethylamino)-|Propanenitrile, 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]-|Propanenitrile, 3-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-|Propanonitrile, 3-(ethyl(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-|12223-33-5|51811-42-8|71819-66-4|88651-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044538
ARPathway2016 ARPathway2016_56 C.I. Disperse Orange 37 13301-61-6 DTXSID9044538 True antagonist shift (No hit/Hit) 3.0 A3 AR Pathway Model, Antagonist Model Score 0.0271 Unitless CCN(CCC#N)C1=CC=C(C=C1)N=NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O C.I. Disperse Orange 37 13301-61-6|C.I. Disperse Orange 37|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propanenitrile|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propiononitrile List Acronyms|3-(p-((2,6-Dichloro-4-nitrophenyl)azo)-N-ethylanilino)propionitrile|Disperse Orange 37|EINECS 236-325-1|Propanenitrile, 3-((4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)ethylamino)-|Propanenitrile, 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]-|Propanenitrile, 3-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-|Propanonitrile, 3-(ethyl(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-|12223-33-5|51811-42-8|71819-66-4|88651-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044538
ARPathway2016 ARPathway2016_56 C.I. Disperse Orange 37 13301-61-6 DTXSID9044538 True antagonist shift (No hit/Hit) 3.0 A3 AR Pathway Model, Agonist Model Score 0.0135 Unitless CCN(CCC#N)C1=CC=C(C=C1)N=NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O C.I. Disperse Orange 37 13301-61-6|C.I. Disperse Orange 37|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propanenitrile|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propiononitrile List Acronyms|3-(p-((2,6-Dichloro-4-nitrophenyl)azo)-N-ethylanilino)propionitrile|Disperse Orange 37|EINECS 236-325-1|Propanenitrile, 3-((4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)ethylamino)-|Propanenitrile, 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]-|Propanenitrile, 3-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-|Propanonitrile, 3-(ethyl(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-|12223-33-5|51811-42-8|71819-66-4|88651-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044538
ARPathway2016 ARPathway2016_56 C.I. Disperse Orange 37 13301-61-6 DTXSID9044538 True antagonist shift (No hit/Hit) 3.0 A3 AR Pathway Model, Agonist Call Active Unitless CCN(CCC#N)C1=CC=C(C=C1)N=NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O C.I. Disperse Orange 37 13301-61-6|C.I. Disperse Orange 37|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propanenitrile|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propiononitrile List Acronyms|3-(p-((2,6-Dichloro-4-nitrophenyl)azo)-N-ethylanilino)propionitrile|Disperse Orange 37|EINECS 236-325-1|Propanenitrile, 3-((4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)ethylamino)-|Propanenitrile, 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]-|Propanenitrile, 3-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-|Propanonitrile, 3-(ethyl(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-|12223-33-5|51811-42-8|71819-66-4|88651-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044538
ARPathway2016 ARPathway2016_56 C.I. Disperse Orange 37 13301-61-6 DTXSID9044538 True antagonist shift (No hit/Hit) 3.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless CCN(CCC#N)C1=CC=C(C=C1)N=NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O C.I. Disperse Orange 37 13301-61-6|C.I. Disperse Orange 37|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propanenitrile|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propiononitrile List Acronyms|3-(p-((2,6-Dichloro-4-nitrophenyl)azo)-N-ethylanilino)propionitrile|Disperse Orange 37|EINECS 236-325-1|Propanenitrile, 3-((4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)ethylamino)-|Propanenitrile, 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]-|Propanenitrile, 3-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-|Propanonitrile, 3-(ethyl(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-|12223-33-5|51811-42-8|71819-66-4|88651-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044538
ERPathway2016 ERPathway2016_500 C.I. Disperse Orange 37 13301-61-6 DTXSID9044538 A12 ER Pathway Model, Agonist Model Score 0 Unitless CCN(CCC#N)C1=CC=C(C=C1)N=NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O C.I. Disperse Orange 37 13301-61-6|C.I. Disperse Orange 37|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propanenitrile|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propiononitrile List Acronyms|3-(p-((2,6-Dichloro-4-nitrophenyl)azo)-N-ethylanilino)propionitrile|Disperse Orange 37|EINECS 236-325-1|Propanenitrile, 3-((4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)ethylamino)-|Propanenitrile, 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]-|Propanenitrile, 3-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-|Propanonitrile, 3-(ethyl(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-|12223-33-5|51811-42-8|71819-66-4|88651-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044538
ERPathway2016 ERPathway2016_500 C.I. Disperse Orange 37 13301-61-6 DTXSID9044538 A12 ER Pathway Model, Antagonist Model Score 0 Unitless CCN(CCC#N)C1=CC=C(C=C1)N=NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O C.I. Disperse Orange 37 13301-61-6|C.I. Disperse Orange 37|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propanenitrile|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propiononitrile List Acronyms|3-(p-((2,6-Dichloro-4-nitrophenyl)azo)-N-ethylanilino)propionitrile|Disperse Orange 37|EINECS 236-325-1|Propanenitrile, 3-((4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)ethylamino)-|Propanenitrile, 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]-|Propanenitrile, 3-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-|Propanonitrile, 3-(ethyl(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-|12223-33-5|51811-42-8|71819-66-4|88651-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044538
ERPathway2016 ERPathway2016_500 C.I. Disperse Orange 37 13301-61-6 DTXSID9044538 A12 ER Pathway Model, Agonist Call Inactive Unitless CCN(CCC#N)C1=CC=C(C=C1)N=NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O C.I. Disperse Orange 37 13301-61-6|C.I. Disperse Orange 37|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propanenitrile|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propiononitrile List Acronyms|3-(p-((2,6-Dichloro-4-nitrophenyl)azo)-N-ethylanilino)propionitrile|Disperse Orange 37|EINECS 236-325-1|Propanenitrile, 3-((4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)ethylamino)-|Propanenitrile, 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]-|Propanenitrile, 3-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-|Propanonitrile, 3-(ethyl(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-|12223-33-5|51811-42-8|71819-66-4|88651-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044538
ERPathway2016 ERPathway2016_500 C.I. Disperse Orange 37 13301-61-6 DTXSID9044538 A12 ER Pathway Model, Antagonist Call Inactive Unitless CCN(CCC#N)C1=CC=C(C=C1)N=NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O C.I. Disperse Orange 37 13301-61-6|C.I. Disperse Orange 37|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propanenitrile|3-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)propiononitrile List Acronyms|3-(p-((2,6-Dichloro-4-nitrophenyl)azo)-N-ethylanilino)propionitrile|Disperse Orange 37|EINECS 236-325-1|Propanenitrile, 3-((4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)ethylamino)-|Propanenitrile, 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]-|Propanenitrile, 3-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-|Propanonitrile, 3-(ethyl(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-|12223-33-5|51811-42-8|71819-66-4|88651-54-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044538
ARPathway2016 ARPathway2016_1385 C.I. Solvent Yellow 1 60-09-3 DTXSID6024460 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(C=C1)N=NC1=CC=CC=C1 C.I. Solvent Yellow 1 60-09-3|C.I. Solvent Yellow 1|4-(Phenylazo)aniline|4-(Phenylazo)benzenamine|4-(phenyldiazenyl)aniline|4-[2-Phenyldiazen-1-yl]aniline|4-AAB|4-Amino-1,1'-azobenzene|4-Amino-azobenzene|4-aminoazobenceno|4-Aminoazobenzene|4-Aminoazobenzol|4-Benzeneazoaniline|4-Phenylazo-phenylamine|4-Phenylazophenylamine|AAB|Aminoazobenzene|Aniline yellow|AZOBENZENE, 4-AMINO-|Benzenamine, 4-(2-phenyldiazenyl)-|Benzenamine, 4-(phenylazo)-|Brasilazina Oil Yellow G|Cellitazol R|Ceres Yellow R|CI Solvent Yellow 1|EINECS 200-453-6|Fast Spirit Yellow|Fast Spirit Yellow AAB|Fat Yellow AAB|Induline R|NSC 2032|Oil Soluble Aniline Yellow|Oil Yellow AAB|Oil Yellow AB|Oil Yellow AN|Oil Yellow B|Oil Yellow R|Oil-Sol. Aniline Yellow|Organol Yellow|Organol Yellow 2A|p-(Phenolazo)aniline|p-(Phenylazo)aniline|p-AAZB|p-Aminoazobenzene|p-Aminoazobenzol|p-Aminodiphenylimide|p-Phenylazonaniline|p-Phenylazophenylamine|Paraphenolazo aniline|Solvent Yellow 1|Somalia Yellow 2G|Stearix Brown 4R|Sudan Yellow R|Sudan Yellow RA|UNII-57X2AH42T1|USAF EK-1375|Zlut anilinova|Zlut rozpoustedl|81691-68-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024460 https://doi.org/10.22427/NTP-DATA-DTXSID6024460
ARPathway2016 ARPathway2016_1385 C.I. Solvent Yellow 1 60-09-3 DTXSID6024460 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless NC1=CC=C(C=C1)N=NC1=CC=CC=C1 C.I. Solvent Yellow 1 60-09-3|C.I. Solvent Yellow 1|4-(Phenylazo)aniline|4-(Phenylazo)benzenamine|4-(phenyldiazenyl)aniline|4-[2-Phenyldiazen-1-yl]aniline|4-AAB|4-Amino-1,1'-azobenzene|4-Amino-azobenzene|4-aminoazobenceno|4-Aminoazobenzene|4-Aminoazobenzol|4-Benzeneazoaniline|4-Phenylazo-phenylamine|4-Phenylazophenylamine|AAB|Aminoazobenzene|Aniline yellow|AZOBENZENE, 4-AMINO-|Benzenamine, 4-(2-phenyldiazenyl)-|Benzenamine, 4-(phenylazo)-|Brasilazina Oil Yellow G|Cellitazol R|Ceres Yellow R|CI Solvent Yellow 1|EINECS 200-453-6|Fast Spirit Yellow|Fast Spirit Yellow AAB|Fat Yellow AAB|Induline R|NSC 2032|Oil Soluble Aniline Yellow|Oil Yellow AAB|Oil Yellow AB|Oil Yellow AN|Oil Yellow B|Oil Yellow R|Oil-Sol. Aniline Yellow|Organol Yellow|Organol Yellow 2A|p-(Phenolazo)aniline|p-(Phenylazo)aniline|p-AAZB|p-Aminoazobenzene|p-Aminoazobenzol|p-Aminodiphenylimide|p-Phenylazonaniline|p-Phenylazophenylamine|Paraphenolazo aniline|Solvent Yellow 1|Somalia Yellow 2G|Stearix Brown 4R|Sudan Yellow R|Sudan Yellow RA|UNII-57X2AH42T1|USAF EK-1375|Zlut anilinova|Zlut rozpoustedl|81691-68-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024460 https://doi.org/10.22427/NTP-DATA-DTXSID6024460
ARPathway2016 ARPathway2016_1385 C.I. Solvent Yellow 1 60-09-3 DTXSID6024460 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(C=C1)N=NC1=CC=CC=C1 C.I. Solvent Yellow 1 60-09-3|C.I. Solvent Yellow 1|4-(Phenylazo)aniline|4-(Phenylazo)benzenamine|4-(phenyldiazenyl)aniline|4-[2-Phenyldiazen-1-yl]aniline|4-AAB|4-Amino-1,1'-azobenzene|4-Amino-azobenzene|4-aminoazobenceno|4-Aminoazobenzene|4-Aminoazobenzol|4-Benzeneazoaniline|4-Phenylazo-phenylamine|4-Phenylazophenylamine|AAB|Aminoazobenzene|Aniline yellow|AZOBENZENE, 4-AMINO-|Benzenamine, 4-(2-phenyldiazenyl)-|Benzenamine, 4-(phenylazo)-|Brasilazina Oil Yellow G|Cellitazol R|Ceres Yellow R|CI Solvent Yellow 1|EINECS 200-453-6|Fast Spirit Yellow|Fast Spirit Yellow AAB|Fat Yellow AAB|Induline R|NSC 2032|Oil Soluble Aniline Yellow|Oil Yellow AAB|Oil Yellow AB|Oil Yellow AN|Oil Yellow B|Oil Yellow R|Oil-Sol. Aniline Yellow|Organol Yellow|Organol Yellow 2A|p-(Phenolazo)aniline|p-(Phenylazo)aniline|p-AAZB|p-Aminoazobenzene|p-Aminoazobenzol|p-Aminodiphenylimide|p-Phenylazonaniline|p-Phenylazophenylamine|Paraphenolazo aniline|Solvent Yellow 1|Somalia Yellow 2G|Stearix Brown 4R|Sudan Yellow R|Sudan Yellow RA|UNII-57X2AH42T1|USAF EK-1375|Zlut anilinova|Zlut rozpoustedl|81691-68-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024460 https://doi.org/10.22427/NTP-DATA-DTXSID6024460
ARPathway2016 ARPathway2016_1385 C.I. Solvent Yellow 1 60-09-3 DTXSID6024460 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC=C(C=C1)N=NC1=CC=CC=C1 C.I. Solvent Yellow 1 60-09-3|C.I. Solvent Yellow 1|4-(Phenylazo)aniline|4-(Phenylazo)benzenamine|4-(phenyldiazenyl)aniline|4-[2-Phenyldiazen-1-yl]aniline|4-AAB|4-Amino-1,1'-azobenzene|4-Amino-azobenzene|4-aminoazobenceno|4-Aminoazobenzene|4-Aminoazobenzol|4-Benzeneazoaniline|4-Phenylazo-phenylamine|4-Phenylazophenylamine|AAB|Aminoazobenzene|Aniline yellow|AZOBENZENE, 4-AMINO-|Benzenamine, 4-(2-phenyldiazenyl)-|Benzenamine, 4-(phenylazo)-|Brasilazina Oil Yellow G|Cellitazol R|Ceres Yellow R|CI Solvent Yellow 1|EINECS 200-453-6|Fast Spirit Yellow|Fast Spirit Yellow AAB|Fat Yellow AAB|Induline R|NSC 2032|Oil Soluble Aniline Yellow|Oil Yellow AAB|Oil Yellow AB|Oil Yellow AN|Oil Yellow B|Oil Yellow R|Oil-Sol. Aniline Yellow|Organol Yellow|Organol Yellow 2A|p-(Phenolazo)aniline|p-(Phenylazo)aniline|p-AAZB|p-Aminoazobenzene|p-Aminoazobenzol|p-Aminodiphenylimide|p-Phenylazonaniline|p-Phenylazophenylamine|Paraphenolazo aniline|Solvent Yellow 1|Somalia Yellow 2G|Stearix Brown 4R|Sudan Yellow R|Sudan Yellow RA|UNII-57X2AH42T1|USAF EK-1375|Zlut anilinova|Zlut rozpoustedl|81691-68-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024460 https://doi.org/10.22427/NTP-DATA-DTXSID6024460
ERPathway2016 ERPathway2016_259 C.I. Solvent Yellow 1 60-09-3 DTXSID6024460 A15 ER Pathway Model, Antagonist AC50 33.7855296313877 uM NC1=CC=C(C=C1)N=NC1=CC=CC=C1 C.I. Solvent Yellow 1 60-09-3|C.I. Solvent Yellow 1|4-(Phenylazo)aniline|4-(Phenylazo)benzenamine|4-(phenyldiazenyl)aniline|4-[2-Phenyldiazen-1-yl]aniline|4-AAB|4-Amino-1,1'-azobenzene|4-Amino-azobenzene|4-aminoazobenceno|4-Aminoazobenzene|4-Aminoazobenzol|4-Benzeneazoaniline|4-Phenylazo-phenylamine|4-Phenylazophenylamine|AAB|Aminoazobenzene|Aniline yellow|AZOBENZENE, 4-AMINO-|Benzenamine, 4-(2-phenyldiazenyl)-|Benzenamine, 4-(phenylazo)-|Brasilazina Oil Yellow G|Cellitazol R|Ceres Yellow R|CI Solvent Yellow 1|EINECS 200-453-6|Fast Spirit Yellow|Fast Spirit Yellow AAB|Fat Yellow AAB|Induline R|NSC 2032|Oil Soluble Aniline Yellow|Oil Yellow AAB|Oil Yellow AB|Oil Yellow AN|Oil Yellow B|Oil Yellow R|Oil-Sol. Aniline Yellow|Organol Yellow|Organol Yellow 2A|p-(Phenolazo)aniline|p-(Phenylazo)aniline|p-AAZB|p-Aminoazobenzene|p-Aminoazobenzol|p-Aminodiphenylimide|p-Phenylazonaniline|p-Phenylazophenylamine|Paraphenolazo aniline|Solvent Yellow 1|Somalia Yellow 2G|Stearix Brown 4R|Sudan Yellow R|Sudan Yellow RA|UNII-57X2AH42T1|USAF EK-1375|Zlut anilinova|Zlut rozpoustedl|81691-68-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024460 https://doi.org/10.22427/NTP-DATA-DTXSID6024460
ERPathway2016 ERPathway2016_259 C.I. Solvent Yellow 1 60-09-3 DTXSID6024460 A15 ER Pathway Model, Antagonist ACC 19.8269451152139 uM NC1=CC=C(C=C1)N=NC1=CC=CC=C1 C.I. Solvent Yellow 1 60-09-3|C.I. Solvent Yellow 1|4-(Phenylazo)aniline|4-(Phenylazo)benzenamine|4-(phenyldiazenyl)aniline|4-[2-Phenyldiazen-1-yl]aniline|4-AAB|4-Amino-1,1'-azobenzene|4-Amino-azobenzene|4-aminoazobenceno|4-Aminoazobenzene|4-Aminoazobenzol|4-Benzeneazoaniline|4-Phenylazo-phenylamine|4-Phenylazophenylamine|AAB|Aminoazobenzene|Aniline yellow|AZOBENZENE, 4-AMINO-|Benzenamine, 4-(2-phenyldiazenyl)-|Benzenamine, 4-(phenylazo)-|Brasilazina Oil Yellow G|Cellitazol R|Ceres Yellow R|CI Solvent Yellow 1|EINECS 200-453-6|Fast Spirit Yellow|Fast Spirit Yellow AAB|Fat Yellow AAB|Induline R|NSC 2032|Oil Soluble Aniline Yellow|Oil Yellow AAB|Oil Yellow AB|Oil Yellow AN|Oil Yellow B|Oil Yellow R|Oil-Sol. Aniline Yellow|Organol Yellow|Organol Yellow 2A|p-(Phenolazo)aniline|p-(Phenylazo)aniline|p-AAZB|p-Aminoazobenzene|p-Aminoazobenzol|p-Aminodiphenylimide|p-Phenylazonaniline|p-Phenylazophenylamine|Paraphenolazo aniline|Solvent Yellow 1|Somalia Yellow 2G|Stearix Brown 4R|Sudan Yellow R|Sudan Yellow RA|UNII-57X2AH42T1|USAF EK-1375|Zlut anilinova|Zlut rozpoustedl|81691-68-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024460 https://doi.org/10.22427/NTP-DATA-DTXSID6024460
ERPathway2016 ERPathway2016_259 C.I. Solvent Yellow 1 60-09-3 DTXSID6024460 A15 ER Pathway Model, Agonist Model Score 0.0658 Unitless NC1=CC=C(C=C1)N=NC1=CC=CC=C1 C.I. Solvent Yellow 1 60-09-3|C.I. Solvent Yellow 1|4-(Phenylazo)aniline|4-(Phenylazo)benzenamine|4-(phenyldiazenyl)aniline|4-[2-Phenyldiazen-1-yl]aniline|4-AAB|4-Amino-1,1'-azobenzene|4-Amino-azobenzene|4-aminoazobenceno|4-Aminoazobenzene|4-Aminoazobenzol|4-Benzeneazoaniline|4-Phenylazo-phenylamine|4-Phenylazophenylamine|AAB|Aminoazobenzene|Aniline yellow|AZOBENZENE, 4-AMINO-|Benzenamine, 4-(2-phenyldiazenyl)-|Benzenamine, 4-(phenylazo)-|Brasilazina Oil Yellow G|Cellitazol R|Ceres Yellow R|CI Solvent Yellow 1|EINECS 200-453-6|Fast Spirit Yellow|Fast Spirit Yellow AAB|Fat Yellow AAB|Induline R|NSC 2032|Oil Soluble Aniline Yellow|Oil Yellow AAB|Oil Yellow AB|Oil Yellow AN|Oil Yellow B|Oil Yellow R|Oil-Sol. Aniline Yellow|Organol Yellow|Organol Yellow 2A|p-(Phenolazo)aniline|p-(Phenylazo)aniline|p-AAZB|p-Aminoazobenzene|p-Aminoazobenzol|p-Aminodiphenylimide|p-Phenylazonaniline|p-Phenylazophenylamine|Paraphenolazo aniline|Solvent Yellow 1|Somalia Yellow 2G|Stearix Brown 4R|Sudan Yellow R|Sudan Yellow RA|UNII-57X2AH42T1|USAF EK-1375|Zlut anilinova|Zlut rozpoustedl|81691-68-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024460 https://doi.org/10.22427/NTP-DATA-DTXSID6024460
ERPathway2016 ERPathway2016_259 C.I. Solvent Yellow 1 60-09-3 DTXSID6024460 A15 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(C=C1)N=NC1=CC=CC=C1 C.I. Solvent Yellow 1 60-09-3|C.I. Solvent Yellow 1|4-(Phenylazo)aniline|4-(Phenylazo)benzenamine|4-(phenyldiazenyl)aniline|4-[2-Phenyldiazen-1-yl]aniline|4-AAB|4-Amino-1,1'-azobenzene|4-Amino-azobenzene|4-aminoazobenceno|4-Aminoazobenzene|4-Aminoazobenzol|4-Benzeneazoaniline|4-Phenylazo-phenylamine|4-Phenylazophenylamine|AAB|Aminoazobenzene|Aniline yellow|AZOBENZENE, 4-AMINO-|Benzenamine, 4-(2-phenyldiazenyl)-|Benzenamine, 4-(phenylazo)-|Brasilazina Oil Yellow G|Cellitazol R|Ceres Yellow R|CI Solvent Yellow 1|EINECS 200-453-6|Fast Spirit Yellow|Fast Spirit Yellow AAB|Fat Yellow AAB|Induline R|NSC 2032|Oil Soluble Aniline Yellow|Oil Yellow AAB|Oil Yellow AB|Oil Yellow AN|Oil Yellow B|Oil Yellow R|Oil-Sol. Aniline Yellow|Organol Yellow|Organol Yellow 2A|p-(Phenolazo)aniline|p-(Phenylazo)aniline|p-AAZB|p-Aminoazobenzene|p-Aminoazobenzol|p-Aminodiphenylimide|p-Phenylazonaniline|p-Phenylazophenylamine|Paraphenolazo aniline|Solvent Yellow 1|Somalia Yellow 2G|Stearix Brown 4R|Sudan Yellow R|Sudan Yellow RA|UNII-57X2AH42T1|USAF EK-1375|Zlut anilinova|Zlut rozpoustedl|81691-68-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024460 https://doi.org/10.22427/NTP-DATA-DTXSID6024460
ERPathway2016 ERPathway2016_259 C.I. Solvent Yellow 1 60-09-3 DTXSID6024460 A15 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(C=C1)N=NC1=CC=CC=C1 C.I. Solvent Yellow 1 60-09-3|C.I. Solvent Yellow 1|4-(Phenylazo)aniline|4-(Phenylazo)benzenamine|4-(phenyldiazenyl)aniline|4-[2-Phenyldiazen-1-yl]aniline|4-AAB|4-Amino-1,1'-azobenzene|4-Amino-azobenzene|4-aminoazobenceno|4-Aminoazobenzene|4-Aminoazobenzol|4-Benzeneazoaniline|4-Phenylazo-phenylamine|4-Phenylazophenylamine|AAB|Aminoazobenzene|Aniline yellow|AZOBENZENE, 4-AMINO-|Benzenamine, 4-(2-phenyldiazenyl)-|Benzenamine, 4-(phenylazo)-|Brasilazina Oil Yellow G|Cellitazol R|Ceres Yellow R|CI Solvent Yellow 1|EINECS 200-453-6|Fast Spirit Yellow|Fast Spirit Yellow AAB|Fat Yellow AAB|Induline R|NSC 2032|Oil Soluble Aniline Yellow|Oil Yellow AAB|Oil Yellow AB|Oil Yellow AN|Oil Yellow B|Oil Yellow R|Oil-Sol. Aniline Yellow|Organol Yellow|Organol Yellow 2A|p-(Phenolazo)aniline|p-(Phenylazo)aniline|p-AAZB|p-Aminoazobenzene|p-Aminoazobenzol|p-Aminodiphenylimide|p-Phenylazonaniline|p-Phenylazophenylamine|Paraphenolazo aniline|Solvent Yellow 1|Somalia Yellow 2G|Stearix Brown 4R|Sudan Yellow R|Sudan Yellow RA|UNII-57X2AH42T1|USAF EK-1375|Zlut anilinova|Zlut rozpoustedl|81691-68-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024460 https://doi.org/10.22427/NTP-DATA-DTXSID6024460
ERPathway2016 ERPathway2016_259 C.I. Solvent Yellow 1 60-09-3 DTXSID6024460 A15 ER Pathway Model, Antagonist Call Active Unitless NC1=CC=C(C=C1)N=NC1=CC=CC=C1 C.I. Solvent Yellow 1 60-09-3|C.I. Solvent Yellow 1|4-(Phenylazo)aniline|4-(Phenylazo)benzenamine|4-(phenyldiazenyl)aniline|4-[2-Phenyldiazen-1-yl]aniline|4-AAB|4-Amino-1,1'-azobenzene|4-Amino-azobenzene|4-aminoazobenceno|4-Aminoazobenzene|4-Aminoazobenzol|4-Benzeneazoaniline|4-Phenylazo-phenylamine|4-Phenylazophenylamine|AAB|Aminoazobenzene|Aniline yellow|AZOBENZENE, 4-AMINO-|Benzenamine, 4-(2-phenyldiazenyl)-|Benzenamine, 4-(phenylazo)-|Brasilazina Oil Yellow G|Cellitazol R|Ceres Yellow R|CI Solvent Yellow 1|EINECS 200-453-6|Fast Spirit Yellow|Fast Spirit Yellow AAB|Fat Yellow AAB|Induline R|NSC 2032|Oil Soluble Aniline Yellow|Oil Yellow AAB|Oil Yellow AB|Oil Yellow AN|Oil Yellow B|Oil Yellow R|Oil-Sol. Aniline Yellow|Organol Yellow|Organol Yellow 2A|p-(Phenolazo)aniline|p-(Phenylazo)aniline|p-AAZB|p-Aminoazobenzene|p-Aminoazobenzol|p-Aminodiphenylimide|p-Phenylazonaniline|p-Phenylazophenylamine|Paraphenolazo aniline|Solvent Yellow 1|Somalia Yellow 2G|Stearix Brown 4R|Sudan Yellow R|Sudan Yellow RA|UNII-57X2AH42T1|USAF EK-1375|Zlut anilinova|Zlut rozpoustedl|81691-68-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024460 https://doi.org/10.22427/NTP-DATA-DTXSID6024460
ARPathway2016 ARPathway2016_1638 C.I. Solvent Yellow 14 842-07-9 DTXSID4021135 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C2C=CC=CC2=C1N=NC1=CC=CC=C1 C.I. Solvent Yellow 14 842-07-9|C.I. Solvent Yellow 14|1-(2-Hydroxynaphthyl)azobenzene|1-(Phenylazo)-2-hydroxynaphthalene|1-(Phenylazo)-2-naphthalenol|1-(Phenylazo)-2-naphthol|1-(Phenyldiazenyl)naphthalen-2-ol|1-Benzeneazo-2-naphthol|1-Benzoazo-2-naphthol|1-fenilazo-2-naftol|1-Phenylazo-2-naphthalenol|1-phenylazo-2-naphthol|1-Phenylazo-2-naphtol|1-Phenylazo-beta-naphthol|1-Phenylazo-b-naphthol|2-Hydroxy-1-(phenylazo)naphthalene|2-Hydroxy-1-phenylazonaphthalene|2-Hydroxynaphthyl-1-azobenzene|2-Naphthalenol, 1-(2-phenyldiazenyl)-|2-Naphthalenol, 1-(phenylazo)-|2-Naphthalenol, 1-(phenyldiazenyl)-|2-Naphthol, 1-phenylazo-|2-Naphtholazobenzene|4-16-00-00228|alpha-Phenylazo-beta-naphthol|Atul Orange R|Benzene-1-azo-2-naphthol|Benzeneazo-beta-naphthol|Benzeneazo-b-naphthol|Brasilazina Oil Orange|Brilliant Oil Orange R|BRN 0651992|C.I Solvent yellow 14 (1-Phenylazo-2-naphthol)|C.I. Disperse Yellow 97|C.I. solvent yellow 014|Calco Oil Orange 7078|Calco Oil Orange 7078-Y|Calco Oil Orange Z-7078|Calcogas M|Calcogas Orange NC|Campbelline Oil Orange|Carminaph|Ceres Orange R|104407-03-6|1846566-64-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021135 https://doi.org/10.22427/NTP-DATA-DTXSID4021135
ARPathway2016 ARPathway2016_1638 C.I. Solvent Yellow 14 842-07-9 DTXSID4021135 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=C2C=CC=CC2=C1N=NC1=CC=CC=C1 C.I. Solvent Yellow 14 842-07-9|C.I. Solvent Yellow 14|1-(2-Hydroxynaphthyl)azobenzene|1-(Phenylazo)-2-hydroxynaphthalene|1-(Phenylazo)-2-naphthalenol|1-(Phenylazo)-2-naphthol|1-(Phenyldiazenyl)naphthalen-2-ol|1-Benzeneazo-2-naphthol|1-Benzoazo-2-naphthol|1-fenilazo-2-naftol|1-Phenylazo-2-naphthalenol|1-phenylazo-2-naphthol|1-Phenylazo-2-naphtol|1-Phenylazo-beta-naphthol|1-Phenylazo-b-naphthol|2-Hydroxy-1-(phenylazo)naphthalene|2-Hydroxy-1-phenylazonaphthalene|2-Hydroxynaphthyl-1-azobenzene|2-Naphthalenol, 1-(2-phenyldiazenyl)-|2-Naphthalenol, 1-(phenylazo)-|2-Naphthalenol, 1-(phenyldiazenyl)-|2-Naphthol, 1-phenylazo-|2-Naphtholazobenzene|4-16-00-00228|alpha-Phenylazo-beta-naphthol|Atul Orange R|Benzene-1-azo-2-naphthol|Benzeneazo-beta-naphthol|Benzeneazo-b-naphthol|Brasilazina Oil Orange|Brilliant Oil Orange R|BRN 0651992|C.I Solvent yellow 14 (1-Phenylazo-2-naphthol)|C.I. Disperse Yellow 97|C.I. solvent yellow 014|Calco Oil Orange 7078|Calco Oil Orange 7078-Y|Calco Oil Orange Z-7078|Calcogas M|Calcogas Orange NC|Campbelline Oil Orange|Carminaph|Ceres Orange R|104407-03-6|1846566-64-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021135 https://doi.org/10.22427/NTP-DATA-DTXSID4021135
ARPathway2016 ARPathway2016_1638 C.I. Solvent Yellow 14 842-07-9 DTXSID4021135 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC=C2C=CC=CC2=C1N=NC1=CC=CC=C1 C.I. Solvent Yellow 14 842-07-9|C.I. Solvent Yellow 14|1-(2-Hydroxynaphthyl)azobenzene|1-(Phenylazo)-2-hydroxynaphthalene|1-(Phenylazo)-2-naphthalenol|1-(Phenylazo)-2-naphthol|1-(Phenyldiazenyl)naphthalen-2-ol|1-Benzeneazo-2-naphthol|1-Benzoazo-2-naphthol|1-fenilazo-2-naftol|1-Phenylazo-2-naphthalenol|1-phenylazo-2-naphthol|1-Phenylazo-2-naphtol|1-Phenylazo-beta-naphthol|1-Phenylazo-b-naphthol|2-Hydroxy-1-(phenylazo)naphthalene|2-Hydroxy-1-phenylazonaphthalene|2-Hydroxynaphthyl-1-azobenzene|2-Naphthalenol, 1-(2-phenyldiazenyl)-|2-Naphthalenol, 1-(phenylazo)-|2-Naphthalenol, 1-(phenyldiazenyl)-|2-Naphthol, 1-phenylazo-|2-Naphtholazobenzene|4-16-00-00228|alpha-Phenylazo-beta-naphthol|Atul Orange R|Benzene-1-azo-2-naphthol|Benzeneazo-beta-naphthol|Benzeneazo-b-naphthol|Brasilazina Oil Orange|Brilliant Oil Orange R|BRN 0651992|C.I Solvent yellow 14 (1-Phenylazo-2-naphthol)|C.I. Disperse Yellow 97|C.I. solvent yellow 014|Calco Oil Orange 7078|Calco Oil Orange 7078-Y|Calco Oil Orange Z-7078|Calcogas M|Calcogas Orange NC|Campbelline Oil Orange|Carminaph|Ceres Orange R|104407-03-6|1846566-64-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021135 https://doi.org/10.22427/NTP-DATA-DTXSID4021135
ARPathway2016 ARPathway2016_1638 C.I. Solvent Yellow 14 842-07-9 DTXSID4021135 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C2C=CC=CC2=C1N=NC1=CC=CC=C1 C.I. Solvent Yellow 14 842-07-9|C.I. Solvent Yellow 14|1-(2-Hydroxynaphthyl)azobenzene|1-(Phenylazo)-2-hydroxynaphthalene|1-(Phenylazo)-2-naphthalenol|1-(Phenylazo)-2-naphthol|1-(Phenyldiazenyl)naphthalen-2-ol|1-Benzeneazo-2-naphthol|1-Benzoazo-2-naphthol|1-fenilazo-2-naftol|1-Phenylazo-2-naphthalenol|1-phenylazo-2-naphthol|1-Phenylazo-2-naphtol|1-Phenylazo-beta-naphthol|1-Phenylazo-b-naphthol|2-Hydroxy-1-(phenylazo)naphthalene|2-Hydroxy-1-phenylazonaphthalene|2-Hydroxynaphthyl-1-azobenzene|2-Naphthalenol, 1-(2-phenyldiazenyl)-|2-Naphthalenol, 1-(phenylazo)-|2-Naphthalenol, 1-(phenyldiazenyl)-|2-Naphthol, 1-phenylazo-|2-Naphtholazobenzene|4-16-00-00228|alpha-Phenylazo-beta-naphthol|Atul Orange R|Benzene-1-azo-2-naphthol|Benzeneazo-beta-naphthol|Benzeneazo-b-naphthol|Brasilazina Oil Orange|Brilliant Oil Orange R|BRN 0651992|C.I Solvent yellow 14 (1-Phenylazo-2-naphthol)|C.I. Disperse Yellow 97|C.I. solvent yellow 014|Calco Oil Orange 7078|Calco Oil Orange 7078-Y|Calco Oil Orange Z-7078|Calcogas M|Calcogas Orange NC|Campbelline Oil Orange|Carminaph|Ceres Orange R|104407-03-6|1846566-64-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021135 https://doi.org/10.22427/NTP-DATA-DTXSID4021135
ERPathway2016 ERPathway2016_227 C.I. Solvent Yellow 14 842-07-9 DTXSID4021135 Agonist ER Pathway Model, Antagonist AC50 5.43065296898055 uM OC1=CC=C2C=CC=CC2=C1N=NC1=CC=CC=C1 C.I. Solvent Yellow 14 842-07-9|C.I. Solvent Yellow 14|1-(2-Hydroxynaphthyl)azobenzene|1-(Phenylazo)-2-hydroxynaphthalene|1-(Phenylazo)-2-naphthalenol|1-(Phenylazo)-2-naphthol|1-(Phenyldiazenyl)naphthalen-2-ol|1-Benzeneazo-2-naphthol|1-Benzoazo-2-naphthol|1-fenilazo-2-naftol|1-Phenylazo-2-naphthalenol|1-phenylazo-2-naphthol|1-Phenylazo-2-naphtol|1-Phenylazo-beta-naphthol|1-Phenylazo-b-naphthol|2-Hydroxy-1-(phenylazo)naphthalene|2-Hydroxy-1-phenylazonaphthalene|2-Hydroxynaphthyl-1-azobenzene|2-Naphthalenol, 1-(2-phenyldiazenyl)-|2-Naphthalenol, 1-(phenylazo)-|2-Naphthalenol, 1-(phenyldiazenyl)-|2-Naphthol, 1-phenylazo-|2-Naphtholazobenzene|4-16-00-00228|alpha-Phenylazo-beta-naphthol|Atul Orange R|Benzene-1-azo-2-naphthol|Benzeneazo-beta-naphthol|Benzeneazo-b-naphthol|Brasilazina Oil Orange|Brilliant Oil Orange R|BRN 0651992|C.I Solvent yellow 14 (1-Phenylazo-2-naphthol)|C.I. Disperse Yellow 97|C.I. solvent yellow 014|Calco Oil Orange 7078|Calco Oil Orange 7078-Y|Calco Oil Orange Z-7078|Calcogas M|Calcogas Orange NC|Campbelline Oil Orange|Carminaph|Ceres Orange R|104407-03-6|1846566-64-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021135 https://doi.org/10.22427/NTP-DATA-DTXSID4021135
ERPathway2016 ERPathway2016_227 C.I. Solvent Yellow 14 842-07-9 DTXSID4021135 Agonist ER Pathway Model, Antagonist ACC 3.16033910455903 uM OC1=CC=C2C=CC=CC2=C1N=NC1=CC=CC=C1 C.I. Solvent Yellow 14 842-07-9|C.I. Solvent Yellow 14|1-(2-Hydroxynaphthyl)azobenzene|1-(Phenylazo)-2-hydroxynaphthalene|1-(Phenylazo)-2-naphthalenol|1-(Phenylazo)-2-naphthol|1-(Phenyldiazenyl)naphthalen-2-ol|1-Benzeneazo-2-naphthol|1-Benzoazo-2-naphthol|1-fenilazo-2-naftol|1-Phenylazo-2-naphthalenol|1-phenylazo-2-naphthol|1-Phenylazo-2-naphtol|1-Phenylazo-beta-naphthol|1-Phenylazo-b-naphthol|2-Hydroxy-1-(phenylazo)naphthalene|2-Hydroxy-1-phenylazonaphthalene|2-Hydroxynaphthyl-1-azobenzene|2-Naphthalenol, 1-(2-phenyldiazenyl)-|2-Naphthalenol, 1-(phenylazo)-|2-Naphthalenol, 1-(phenyldiazenyl)-|2-Naphthol, 1-phenylazo-|2-Naphtholazobenzene|4-16-00-00228|alpha-Phenylazo-beta-naphthol|Atul Orange R|Benzene-1-azo-2-naphthol|Benzeneazo-beta-naphthol|Benzeneazo-b-naphthol|Brasilazina Oil Orange|Brilliant Oil Orange R|BRN 0651992|C.I Solvent yellow 14 (1-Phenylazo-2-naphthol)|C.I. Disperse Yellow 97|C.I. solvent yellow 014|Calco Oil Orange 7078|Calco Oil Orange 7078-Y|Calco Oil Orange Z-7078|Calcogas M|Calcogas Orange NC|Campbelline Oil Orange|Carminaph|Ceres Orange R|104407-03-6|1846566-64-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021135 https://doi.org/10.22427/NTP-DATA-DTXSID4021135
ERPathway2016 ERPathway2016_227 C.I. Solvent Yellow 14 842-07-9 DTXSID4021135 Agonist ER Pathway Model, Agonist Model Score 0.117 Unitless OC1=CC=C2C=CC=CC2=C1N=NC1=CC=CC=C1 C.I. Solvent Yellow 14 842-07-9|C.I. Solvent Yellow 14|1-(2-Hydroxynaphthyl)azobenzene|1-(Phenylazo)-2-hydroxynaphthalene|1-(Phenylazo)-2-naphthalenol|1-(Phenylazo)-2-naphthol|1-(Phenyldiazenyl)naphthalen-2-ol|1-Benzeneazo-2-naphthol|1-Benzoazo-2-naphthol|1-fenilazo-2-naftol|1-Phenylazo-2-naphthalenol|1-phenylazo-2-naphthol|1-Phenylazo-2-naphtol|1-Phenylazo-beta-naphthol|1-Phenylazo-b-naphthol|2-Hydroxy-1-(phenylazo)naphthalene|2-Hydroxy-1-phenylazonaphthalene|2-Hydroxynaphthyl-1-azobenzene|2-Naphthalenol, 1-(2-phenyldiazenyl)-|2-Naphthalenol, 1-(phenylazo)-|2-Naphthalenol, 1-(phenyldiazenyl)-|2-Naphthol, 1-phenylazo-|2-Naphtholazobenzene|4-16-00-00228|alpha-Phenylazo-beta-naphthol|Atul Orange R|Benzene-1-azo-2-naphthol|Benzeneazo-beta-naphthol|Benzeneazo-b-naphthol|Brasilazina Oil Orange|Brilliant Oil Orange R|BRN 0651992|C.I Solvent yellow 14 (1-Phenylazo-2-naphthol)|C.I. Disperse Yellow 97|C.I. solvent yellow 014|Calco Oil Orange 7078|Calco Oil Orange 7078-Y|Calco Oil Orange Z-7078|Calcogas M|Calcogas Orange NC|Campbelline Oil Orange|Carminaph|Ceres Orange R|104407-03-6|1846566-64-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021135 https://doi.org/10.22427/NTP-DATA-DTXSID4021135
ERPathway2016 ERPathway2016_227 C.I. Solvent Yellow 14 842-07-9 DTXSID4021135 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C2C=CC=CC2=C1N=NC1=CC=CC=C1 C.I. Solvent Yellow 14 842-07-9|C.I. Solvent Yellow 14|1-(2-Hydroxynaphthyl)azobenzene|1-(Phenylazo)-2-hydroxynaphthalene|1-(Phenylazo)-2-naphthalenol|1-(Phenylazo)-2-naphthol|1-(Phenyldiazenyl)naphthalen-2-ol|1-Benzeneazo-2-naphthol|1-Benzoazo-2-naphthol|1-fenilazo-2-naftol|1-Phenylazo-2-naphthalenol|1-phenylazo-2-naphthol|1-Phenylazo-2-naphtol|1-Phenylazo-beta-naphthol|1-Phenylazo-b-naphthol|2-Hydroxy-1-(phenylazo)naphthalene|2-Hydroxy-1-phenylazonaphthalene|2-Hydroxynaphthyl-1-azobenzene|2-Naphthalenol, 1-(2-phenyldiazenyl)-|2-Naphthalenol, 1-(phenylazo)-|2-Naphthalenol, 1-(phenyldiazenyl)-|2-Naphthol, 1-phenylazo-|2-Naphtholazobenzene|4-16-00-00228|alpha-Phenylazo-beta-naphthol|Atul Orange R|Benzene-1-azo-2-naphthol|Benzeneazo-beta-naphthol|Benzeneazo-b-naphthol|Brasilazina Oil Orange|Brilliant Oil Orange R|BRN 0651992|C.I Solvent yellow 14 (1-Phenylazo-2-naphthol)|C.I. Disperse Yellow 97|C.I. solvent yellow 014|Calco Oil Orange 7078|Calco Oil Orange 7078-Y|Calco Oil Orange Z-7078|Calcogas M|Calcogas Orange NC|Campbelline Oil Orange|Carminaph|Ceres Orange R|104407-03-6|1846566-64-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021135 https://doi.org/10.22427/NTP-DATA-DTXSID4021135
ERPathway2016 ERPathway2016_227 C.I. Solvent Yellow 14 842-07-9 DTXSID4021135 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=C2C=CC=CC2=C1N=NC1=CC=CC=C1 C.I. Solvent Yellow 14 842-07-9|C.I. Solvent Yellow 14|1-(2-Hydroxynaphthyl)azobenzene|1-(Phenylazo)-2-hydroxynaphthalene|1-(Phenylazo)-2-naphthalenol|1-(Phenylazo)-2-naphthol|1-(Phenyldiazenyl)naphthalen-2-ol|1-Benzeneazo-2-naphthol|1-Benzoazo-2-naphthol|1-fenilazo-2-naftol|1-Phenylazo-2-naphthalenol|1-phenylazo-2-naphthol|1-Phenylazo-2-naphtol|1-Phenylazo-beta-naphthol|1-Phenylazo-b-naphthol|2-Hydroxy-1-(phenylazo)naphthalene|2-Hydroxy-1-phenylazonaphthalene|2-Hydroxynaphthyl-1-azobenzene|2-Naphthalenol, 1-(2-phenyldiazenyl)-|2-Naphthalenol, 1-(phenylazo)-|2-Naphthalenol, 1-(phenyldiazenyl)-|2-Naphthol, 1-phenylazo-|2-Naphtholazobenzene|4-16-00-00228|alpha-Phenylazo-beta-naphthol|Atul Orange R|Benzene-1-azo-2-naphthol|Benzeneazo-beta-naphthol|Benzeneazo-b-naphthol|Brasilazina Oil Orange|Brilliant Oil Orange R|BRN 0651992|C.I Solvent yellow 14 (1-Phenylazo-2-naphthol)|C.I. Disperse Yellow 97|C.I. solvent yellow 014|Calco Oil Orange 7078|Calco Oil Orange 7078-Y|Calco Oil Orange Z-7078|Calcogas M|Calcogas Orange NC|Campbelline Oil Orange|Carminaph|Ceres Orange R|104407-03-6|1846566-64-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021135 https://doi.org/10.22427/NTP-DATA-DTXSID4021135
ERPathway2016 ERPathway2016_227 C.I. Solvent Yellow 14 842-07-9 DTXSID4021135 Agonist ER Pathway Model, Antagonist Call Active Unitless OC1=CC=C2C=CC=CC2=C1N=NC1=CC=CC=C1 C.I. Solvent Yellow 14 842-07-9|C.I. Solvent Yellow 14|1-(2-Hydroxynaphthyl)azobenzene|1-(Phenylazo)-2-hydroxynaphthalene|1-(Phenylazo)-2-naphthalenol|1-(Phenylazo)-2-naphthol|1-(Phenyldiazenyl)naphthalen-2-ol|1-Benzeneazo-2-naphthol|1-Benzoazo-2-naphthol|1-fenilazo-2-naftol|1-Phenylazo-2-naphthalenol|1-phenylazo-2-naphthol|1-Phenylazo-2-naphtol|1-Phenylazo-beta-naphthol|1-Phenylazo-b-naphthol|2-Hydroxy-1-(phenylazo)naphthalene|2-Hydroxy-1-phenylazonaphthalene|2-Hydroxynaphthyl-1-azobenzene|2-Naphthalenol, 1-(2-phenyldiazenyl)-|2-Naphthalenol, 1-(phenylazo)-|2-Naphthalenol, 1-(phenyldiazenyl)-|2-Naphthol, 1-phenylazo-|2-Naphtholazobenzene|4-16-00-00228|alpha-Phenylazo-beta-naphthol|Atul Orange R|Benzene-1-azo-2-naphthol|Benzeneazo-beta-naphthol|Benzeneazo-b-naphthol|Brasilazina Oil Orange|Brilliant Oil Orange R|BRN 0651992|C.I Solvent yellow 14 (1-Phenylazo-2-naphthol)|C.I. Disperse Yellow 97|C.I. solvent yellow 014|Calco Oil Orange 7078|Calco Oil Orange 7078-Y|Calco Oil Orange Z-7078|Calcogas M|Calcogas Orange NC|Campbelline Oil Orange|Carminaph|Ceres Orange R|104407-03-6|1846566-64-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021135 https://doi.org/10.22427/NTP-DATA-DTXSID4021135
ARPathway2016 ARPathway2016_1706 C10-21 alkanesulfonic acids phenyl esters 91082-17-6 DTXSID1047526 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C10-21 alkanesulfonic acids phenyl esters 91082-17-6|C10-21 alkanesulfonic acids phenyl esters|acides sulfoniques, alcanes en C10-21, esters de phenyle|acidos sulfonicos, C10-21-alcano, fenil ester|C10-C21-ALKANESULFONIC ACID, PHENYLESTER|EINECS 293-728-5|Mesamoll II|PHENYL C10-21ALKYLSULFONESTER|Sulfonic acids, alkane(C=10-21), Ph esters|Sulfonic acids, C10-21-alkane, Ph esters|Sulfonsauren, C10-21-Alkan-, Phenylester https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047526
ARPathway2016 ARPathway2016_1706 C10-21 alkanesulfonic acids phenyl esters 91082-17-6 DTXSID1047526 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C10-21 alkanesulfonic acids phenyl esters 91082-17-6|C10-21 alkanesulfonic acids phenyl esters|acides sulfoniques, alcanes en C10-21, esters de phenyle|acidos sulfonicos, C10-21-alcano, fenil ester|C10-C21-ALKANESULFONIC ACID, PHENYLESTER|EINECS 293-728-5|Mesamoll II|PHENYL C10-21ALKYLSULFONESTER|Sulfonic acids, alkane(C=10-21), Ph esters|Sulfonic acids, C10-21-alkane, Ph esters|Sulfonsauren, C10-21-Alkan-, Phenylester https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047526
ARPathway2016 ARPathway2016_1706 C10-21 alkanesulfonic acids phenyl esters 91082-17-6 DTXSID1047526 0.0 AR Pathway Model, Agonist Call Inactive Unitless C10-21 alkanesulfonic acids phenyl esters 91082-17-6|C10-21 alkanesulfonic acids phenyl esters|acides sulfoniques, alcanes en C10-21, esters de phenyle|acidos sulfonicos, C10-21-alcano, fenil ester|C10-C21-ALKANESULFONIC ACID, PHENYLESTER|EINECS 293-728-5|Mesamoll II|PHENYL C10-21ALKYLSULFONESTER|Sulfonic acids, alkane(C=10-21), Ph esters|Sulfonic acids, C10-21-alkane, Ph esters|Sulfonsauren, C10-21-Alkan-, Phenylester https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047526
ARPathway2016 ARPathway2016_1706 C10-21 alkanesulfonic acids phenyl esters 91082-17-6 DTXSID1047526 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C10-21 alkanesulfonic acids phenyl esters 91082-17-6|C10-21 alkanesulfonic acids phenyl esters|acides sulfoniques, alcanes en C10-21, esters de phenyle|acidos sulfonicos, C10-21-alcano, fenil ester|C10-C21-ALKANESULFONIC ACID, PHENYLESTER|EINECS 293-728-5|Mesamoll II|PHENYL C10-21ALKYLSULFONESTER|Sulfonic acids, alkane(C=10-21), Ph esters|Sulfonic acids, C10-21-alkane, Ph esters|Sulfonsauren, C10-21-Alkan-, Phenylester https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047526
ERPathway2016 ERPathway2016_1737 C10-21 alkanesulfonic acids phenyl esters 91082-17-6 DTXSID1047526 ER Pathway Model, Agonist Model Score 0 Unitless C10-21 alkanesulfonic acids phenyl esters 91082-17-6|C10-21 alkanesulfonic acids phenyl esters|acides sulfoniques, alcanes en C10-21, esters de phenyle|acidos sulfonicos, C10-21-alcano, fenil ester|C10-C21-ALKANESULFONIC ACID, PHENYLESTER|EINECS 293-728-5|Mesamoll II|PHENYL C10-21ALKYLSULFONESTER|Sulfonic acids, alkane(C=10-21), Ph esters|Sulfonic acids, C10-21-alkane, Ph esters|Sulfonsauren, C10-21-Alkan-, Phenylester https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047526
ERPathway2016 ERPathway2016_1737 C10-21 alkanesulfonic acids phenyl esters 91082-17-6 DTXSID1047526 ER Pathway Model, Antagonist Model Score 0 Unitless C10-21 alkanesulfonic acids phenyl esters 91082-17-6|C10-21 alkanesulfonic acids phenyl esters|acides sulfoniques, alcanes en C10-21, esters de phenyle|acidos sulfonicos, C10-21-alcano, fenil ester|C10-C21-ALKANESULFONIC ACID, PHENYLESTER|EINECS 293-728-5|Mesamoll II|PHENYL C10-21ALKYLSULFONESTER|Sulfonic acids, alkane(C=10-21), Ph esters|Sulfonic acids, C10-21-alkane, Ph esters|Sulfonsauren, C10-21-Alkan-, Phenylester https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047526
ERPathway2016 ERPathway2016_1737 C10-21 alkanesulfonic acids phenyl esters 91082-17-6 DTXSID1047526 ER Pathway Model, Agonist Call Inactive Unitless C10-21 alkanesulfonic acids phenyl esters 91082-17-6|C10-21 alkanesulfonic acids phenyl esters|acides sulfoniques, alcanes en C10-21, esters de phenyle|acidos sulfonicos, C10-21-alcano, fenil ester|C10-C21-ALKANESULFONIC ACID, PHENYLESTER|EINECS 293-728-5|Mesamoll II|PHENYL C10-21ALKYLSULFONESTER|Sulfonic acids, alkane(C=10-21), Ph esters|Sulfonic acids, C10-21-alkane, Ph esters|Sulfonsauren, C10-21-Alkan-, Phenylester https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047526
ERPathway2016 ERPathway2016_1737 C10-21 alkanesulfonic acids phenyl esters 91082-17-6 DTXSID1047526 ER Pathway Model, Antagonist Call Inactive Unitless C10-21 alkanesulfonic acids phenyl esters 91082-17-6|C10-21 alkanesulfonic acids phenyl esters|acides sulfoniques, alcanes en C10-21, esters de phenyle|acidos sulfonicos, C10-21-alcano, fenil ester|C10-C21-ALKANESULFONIC ACID, PHENYLESTER|EINECS 293-728-5|Mesamoll II|PHENYL C10-21ALKYLSULFONESTER|Sulfonic acids, alkane(C=10-21), Ph esters|Sulfonic acids, C10-21-alkane, Ph esters|Sulfonsauren, C10-21-Alkan-, Phenylester https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047526
ARPathway2016 ARPathway2016_1352 Caffeine 58-08-2 DTXSID0020232 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine 58-08-2|Caffeine|1-Methyl-Theobromine|1-methyltheobromine|1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3,7-TRIMETHYL-2,6-DIOXOPURINE|1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione|1,3,7-trimethylpurine-2,6-dione|1,3,7-trimethylpurine-2,6-quinone|1,3,7-Trimethylxanthine|1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-|3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion|3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione|5-26-13-00558|7-Methyl Theophylline|7-Methyltheophylline|Alert-Pep|Anhydrous caffeine|Anhydrous caffeine (JP15)|BRN 0017705|Cafamil|Cafecon|cafeina|Cafeine|Caffedrine|Caffein|Caffeina|Caffeine Methyltheophylline|CAFFEINE, ANHYDROUS|Caffeine, synthetic|Caffine|Cafipel|Coffein|Coffeine|Coffeinum|Dexitac|DHCplus|Durvitan|EINECS 200-362-1|Eldiatric C|FEMA No. 2224|Guaranine|Hycomine|Koffein|Lanorinal|Mateina|Methyltheobromide|Methyltheobromine|Methylxanthine theophylline|Monohydrate Caffeine|NCI-C02733|Nix Nap|NSC 5036|Organex|Phensal|Quick-Pep|Refresh'n|Shape Plus|Stay Alert|Synalgos|teina|Thein|theine|Theobro|71701-02-5|95789-13-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020232 https://doi.org/10.22427/NTP-DATA-DTXSID0020232
ARPathway2016 ARPathway2016_1352 Caffeine 58-08-2 DTXSID0020232 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine 58-08-2|Caffeine|1-Methyl-Theobromine|1-methyltheobromine|1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3,7-TRIMETHYL-2,6-DIOXOPURINE|1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione|1,3,7-trimethylpurine-2,6-dione|1,3,7-trimethylpurine-2,6-quinone|1,3,7-Trimethylxanthine|1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-|3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion|3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione|5-26-13-00558|7-Methyl Theophylline|7-Methyltheophylline|Alert-Pep|Anhydrous caffeine|Anhydrous caffeine (JP15)|BRN 0017705|Cafamil|Cafecon|cafeina|Cafeine|Caffedrine|Caffein|Caffeina|Caffeine Methyltheophylline|CAFFEINE, ANHYDROUS|Caffeine, synthetic|Caffine|Cafipel|Coffein|Coffeine|Coffeinum|Dexitac|DHCplus|Durvitan|EINECS 200-362-1|Eldiatric C|FEMA No. 2224|Guaranine|Hycomine|Koffein|Lanorinal|Mateina|Methyltheobromide|Methyltheobromine|Methylxanthine theophylline|Monohydrate Caffeine|NCI-C02733|Nix Nap|NSC 5036|Organex|Phensal|Quick-Pep|Refresh'n|Shape Plus|Stay Alert|Synalgos|teina|Thein|theine|Theobro|71701-02-5|95789-13-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020232 https://doi.org/10.22427/NTP-DATA-DTXSID0020232
ARPathway2016 ARPathway2016_1352 Caffeine 58-08-2 DTXSID0020232 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Agonist Call Inactive Unitless CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine 58-08-2|Caffeine|1-Methyl-Theobromine|1-methyltheobromine|1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3,7-TRIMETHYL-2,6-DIOXOPURINE|1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione|1,3,7-trimethylpurine-2,6-dione|1,3,7-trimethylpurine-2,6-quinone|1,3,7-Trimethylxanthine|1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-|3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion|3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione|5-26-13-00558|7-Methyl Theophylline|7-Methyltheophylline|Alert-Pep|Anhydrous caffeine|Anhydrous caffeine (JP15)|BRN 0017705|Cafamil|Cafecon|cafeina|Cafeine|Caffedrine|Caffein|Caffeina|Caffeine Methyltheophylline|CAFFEINE, ANHYDROUS|Caffeine, synthetic|Caffine|Cafipel|Coffein|Coffeine|Coffeinum|Dexitac|DHCplus|Durvitan|EINECS 200-362-1|Eldiatric C|FEMA No. 2224|Guaranine|Hycomine|Koffein|Lanorinal|Mateina|Methyltheobromide|Methyltheobromine|Methylxanthine theophylline|Monohydrate Caffeine|NCI-C02733|Nix Nap|NSC 5036|Organex|Phensal|Quick-Pep|Refresh'n|Shape Plus|Stay Alert|Synalgos|teina|Thein|theine|Theobro|71701-02-5|95789-13-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020232 https://doi.org/10.22427/NTP-DATA-DTXSID0020232
ARPathway2016 ARPathway2016_1352 Caffeine 58-08-2 DTXSID0020232 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine 58-08-2|Caffeine|1-Methyl-Theobromine|1-methyltheobromine|1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3,7-TRIMETHYL-2,6-DIOXOPURINE|1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione|1,3,7-trimethylpurine-2,6-dione|1,3,7-trimethylpurine-2,6-quinone|1,3,7-Trimethylxanthine|1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-|3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion|3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione|5-26-13-00558|7-Methyl Theophylline|7-Methyltheophylline|Alert-Pep|Anhydrous caffeine|Anhydrous caffeine (JP15)|BRN 0017705|Cafamil|Cafecon|cafeina|Cafeine|Caffedrine|Caffein|Caffeina|Caffeine Methyltheophylline|CAFFEINE, ANHYDROUS|Caffeine, synthetic|Caffine|Cafipel|Coffein|Coffeine|Coffeinum|Dexitac|DHCplus|Durvitan|EINECS 200-362-1|Eldiatric C|FEMA No. 2224|Guaranine|Hycomine|Koffein|Lanorinal|Mateina|Methyltheobromide|Methyltheobromine|Methylxanthine theophylline|Monohydrate Caffeine|NCI-C02733|Nix Nap|NSC 5036|Organex|Phensal|Quick-Pep|Refresh'n|Shape Plus|Stay Alert|Synalgos|teina|Thein|theine|Theobro|71701-02-5|95789-13-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020232 https://doi.org/10.22427/NTP-DATA-DTXSID0020232
ERPathway2016 ERPathway2016_865 Caffeine 58-08-2 DTXSID0020232 ER Pathway Model, Agonist Model Score 0 Unitless CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine 58-08-2|Caffeine|1-Methyl-Theobromine|1-methyltheobromine|1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3,7-TRIMETHYL-2,6-DIOXOPURINE|1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione|1,3,7-trimethylpurine-2,6-dione|1,3,7-trimethylpurine-2,6-quinone|1,3,7-Trimethylxanthine|1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-|3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion|3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione|5-26-13-00558|7-Methyl Theophylline|7-Methyltheophylline|Alert-Pep|Anhydrous caffeine|Anhydrous caffeine (JP15)|BRN 0017705|Cafamil|Cafecon|cafeina|Cafeine|Caffedrine|Caffein|Caffeina|Caffeine Methyltheophylline|CAFFEINE, ANHYDROUS|Caffeine, synthetic|Caffine|Cafipel|Coffein|Coffeine|Coffeinum|Dexitac|DHCplus|Durvitan|EINECS 200-362-1|Eldiatric C|FEMA No. 2224|Guaranine|Hycomine|Koffein|Lanorinal|Mateina|Methyltheobromide|Methyltheobromine|Methylxanthine theophylline|Monohydrate Caffeine|NCI-C02733|Nix Nap|NSC 5036|Organex|Phensal|Quick-Pep|Refresh'n|Shape Plus|Stay Alert|Synalgos|teina|Thein|theine|Theobro|71701-02-5|95789-13-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020232 https://doi.org/10.22427/NTP-DATA-DTXSID0020232
ERPathway2016 ERPathway2016_865 Caffeine 58-08-2 DTXSID0020232 ER Pathway Model, Antagonist Model Score 0 Unitless CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine 58-08-2|Caffeine|1-Methyl-Theobromine|1-methyltheobromine|1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3,7-TRIMETHYL-2,6-DIOXOPURINE|1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione|1,3,7-trimethylpurine-2,6-dione|1,3,7-trimethylpurine-2,6-quinone|1,3,7-Trimethylxanthine|1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-|3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion|3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione|5-26-13-00558|7-Methyl Theophylline|7-Methyltheophylline|Alert-Pep|Anhydrous caffeine|Anhydrous caffeine (JP15)|BRN 0017705|Cafamil|Cafecon|cafeina|Cafeine|Caffedrine|Caffein|Caffeina|Caffeine Methyltheophylline|CAFFEINE, ANHYDROUS|Caffeine, synthetic|Caffine|Cafipel|Coffein|Coffeine|Coffeinum|Dexitac|DHCplus|Durvitan|EINECS 200-362-1|Eldiatric C|FEMA No. 2224|Guaranine|Hycomine|Koffein|Lanorinal|Mateina|Methyltheobromide|Methyltheobromine|Methylxanthine theophylline|Monohydrate Caffeine|NCI-C02733|Nix Nap|NSC 5036|Organex|Phensal|Quick-Pep|Refresh'n|Shape Plus|Stay Alert|Synalgos|teina|Thein|theine|Theobro|71701-02-5|95789-13-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020232 https://doi.org/10.22427/NTP-DATA-DTXSID0020232
ERPathway2016 ERPathway2016_865 Caffeine 58-08-2 DTXSID0020232 ER Pathway Model, Agonist Call Inactive Unitless CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine 58-08-2|Caffeine|1-Methyl-Theobromine|1-methyltheobromine|1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3,7-TRIMETHYL-2,6-DIOXOPURINE|1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione|1,3,7-trimethylpurine-2,6-dione|1,3,7-trimethylpurine-2,6-quinone|1,3,7-Trimethylxanthine|1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-|3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion|3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione|5-26-13-00558|7-Methyl Theophylline|7-Methyltheophylline|Alert-Pep|Anhydrous caffeine|Anhydrous caffeine (JP15)|BRN 0017705|Cafamil|Cafecon|cafeina|Cafeine|Caffedrine|Caffein|Caffeina|Caffeine Methyltheophylline|CAFFEINE, ANHYDROUS|Caffeine, synthetic|Caffine|Cafipel|Coffein|Coffeine|Coffeinum|Dexitac|DHCplus|Durvitan|EINECS 200-362-1|Eldiatric C|FEMA No. 2224|Guaranine|Hycomine|Koffein|Lanorinal|Mateina|Methyltheobromide|Methyltheobromine|Methylxanthine theophylline|Monohydrate Caffeine|NCI-C02733|Nix Nap|NSC 5036|Organex|Phensal|Quick-Pep|Refresh'n|Shape Plus|Stay Alert|Synalgos|teina|Thein|theine|Theobro|71701-02-5|95789-13-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020232 https://doi.org/10.22427/NTP-DATA-DTXSID0020232
ERPathway2016 ERPathway2016_865 Caffeine 58-08-2 DTXSID0020232 ER Pathway Model, Antagonist Call Inactive Unitless CN1C=NC2=C1C(=O)N(C)C(=O)N2C Caffeine 58-08-2|Caffeine|1-Methyl-Theobromine|1-methyltheobromine|1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3,7-TRIMETHYL-2,6-DIOXOPURINE|1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione|1,3,7-trimethylpurine-2,6-dione|1,3,7-trimethylpurine-2,6-quinone|1,3,7-Trimethylxanthine|1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-|3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion|3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione|5-26-13-00558|7-Methyl Theophylline|7-Methyltheophylline|Alert-Pep|Anhydrous caffeine|Anhydrous caffeine (JP15)|BRN 0017705|Cafamil|Cafecon|cafeina|Cafeine|Caffedrine|Caffein|Caffeina|Caffeine Methyltheophylline|CAFFEINE, ANHYDROUS|Caffeine, synthetic|Caffine|Cafipel|Coffein|Coffeine|Coffeinum|Dexitac|DHCplus|Durvitan|EINECS 200-362-1|Eldiatric C|FEMA No. 2224|Guaranine|Hycomine|Koffein|Lanorinal|Mateina|Methyltheobromide|Methyltheobromine|Methylxanthine theophylline|Monohydrate Caffeine|NCI-C02733|Nix Nap|NSC 5036|Organex|Phensal|Quick-Pep|Refresh'n|Shape Plus|Stay Alert|Synalgos|teina|Thein|theine|Theobro|71701-02-5|95789-13-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020232 https://doi.org/10.22427/NTP-DATA-DTXSID0020232
ARPathway2016 ARPathway2016_131 Calcium dodecylbenzene sulfonate 26264-06-2 DTXSID1027891 1.0 Antagonist AR Pathway Model, Agonist AC50 40.966032 uM Calcium dodecylbenzene sulfonate 26264-06-2|Calcium dodecylbenzene sulfonate|Benzenesulfonic acid, dodecyl-, calcium salt|Calcium alkylaromatic sulfonate|Calcium alkylbenzenesulfonate|Calcium bis(dodecylbenzenesulfonate)|Calcium dodecylbenzensulfonate|Calcium N-dodecylbenzenesulfonate|Dodecylbenzenesulfonic acid calcium salt|Dodecylbenzensulfonic acid calcium salt|EINECS 247-557-8|Sinnozon NCX 70|Soprofor S 70|Wettol EM 1|105864-16-2|12068-14-3|29062-23-5|372965-63-4|41934-13-8|705264-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027891
ARPathway2016 ARPathway2016_131 Calcium dodecylbenzene sulfonate 26264-06-2 DTXSID1027891 1.0 Antagonist AR Pathway Model, Agonist ACC 37.42605654 uM Calcium dodecylbenzene sulfonate 26264-06-2|Calcium dodecylbenzene sulfonate|Benzenesulfonic acid, dodecyl-, calcium salt|Calcium alkylaromatic sulfonate|Calcium alkylbenzenesulfonate|Calcium bis(dodecylbenzenesulfonate)|Calcium dodecylbenzensulfonate|Calcium N-dodecylbenzenesulfonate|Dodecylbenzenesulfonic acid calcium salt|Dodecylbenzensulfonic acid calcium salt|EINECS 247-557-8|Sinnozon NCX 70|Soprofor S 70|Wettol EM 1|105864-16-2|12068-14-3|29062-23-5|372965-63-4|41934-13-8|705264-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027891
ARPathway2016 ARPathway2016_131 Calcium dodecylbenzene sulfonate 26264-06-2 DTXSID1027891 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0668 Unitless Calcium dodecylbenzene sulfonate 26264-06-2|Calcium dodecylbenzene sulfonate|Benzenesulfonic acid, dodecyl-, calcium salt|Calcium alkylaromatic sulfonate|Calcium alkylbenzenesulfonate|Calcium bis(dodecylbenzenesulfonate)|Calcium dodecylbenzensulfonate|Calcium N-dodecylbenzenesulfonate|Dodecylbenzenesulfonic acid calcium salt|Dodecylbenzensulfonic acid calcium salt|EINECS 247-557-8|Sinnozon NCX 70|Soprofor S 70|Wettol EM 1|105864-16-2|12068-14-3|29062-23-5|372965-63-4|41934-13-8|705264-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027891
ARPathway2016 ARPathway2016_131 Calcium dodecylbenzene sulfonate 26264-06-2 DTXSID1027891 1.0 Antagonist AR Pathway Model, Agonist Model Score 0.0334 Unitless Calcium dodecylbenzene sulfonate 26264-06-2|Calcium dodecylbenzene sulfonate|Benzenesulfonic acid, dodecyl-, calcium salt|Calcium alkylaromatic sulfonate|Calcium alkylbenzenesulfonate|Calcium bis(dodecylbenzenesulfonate)|Calcium dodecylbenzensulfonate|Calcium N-dodecylbenzenesulfonate|Dodecylbenzenesulfonic acid calcium salt|Dodecylbenzensulfonic acid calcium salt|EINECS 247-557-8|Sinnozon NCX 70|Soprofor S 70|Wettol EM 1|105864-16-2|12068-14-3|29062-23-5|372965-63-4|41934-13-8|705264-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027891
ARPathway2016 ARPathway2016_131 Calcium dodecylbenzene sulfonate 26264-06-2 DTXSID1027891 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Calcium dodecylbenzene sulfonate 26264-06-2|Calcium dodecylbenzene sulfonate|Benzenesulfonic acid, dodecyl-, calcium salt|Calcium alkylaromatic sulfonate|Calcium alkylbenzenesulfonate|Calcium bis(dodecylbenzenesulfonate)|Calcium dodecylbenzensulfonate|Calcium N-dodecylbenzenesulfonate|Dodecylbenzenesulfonic acid calcium salt|Dodecylbenzensulfonic acid calcium salt|EINECS 247-557-8|Sinnozon NCX 70|Soprofor S 70|Wettol EM 1|105864-16-2|12068-14-3|29062-23-5|372965-63-4|41934-13-8|705264-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027891
ARPathway2016 ARPathway2016_131 Calcium dodecylbenzene sulfonate 26264-06-2 DTXSID1027891 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Calcium dodecylbenzene sulfonate 26264-06-2|Calcium dodecylbenzene sulfonate|Benzenesulfonic acid, dodecyl-, calcium salt|Calcium alkylaromatic sulfonate|Calcium alkylbenzenesulfonate|Calcium bis(dodecylbenzenesulfonate)|Calcium dodecylbenzensulfonate|Calcium N-dodecylbenzenesulfonate|Dodecylbenzenesulfonic acid calcium salt|Dodecylbenzensulfonic acid calcium salt|EINECS 247-557-8|Sinnozon NCX 70|Soprofor S 70|Wettol EM 1|105864-16-2|12068-14-3|29062-23-5|372965-63-4|41934-13-8|705264-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027891
ERPathway2016 ERPathway2016_123 Calcium dodecylbenzene sulfonate 26264-06-2 DTXSID1027891 ER Pathway Model, Agonist AC50 25.1839714290105 uM Calcium dodecylbenzene sulfonate 26264-06-2|Calcium dodecylbenzene sulfonate|Benzenesulfonic acid, dodecyl-, calcium salt|Calcium alkylaromatic sulfonate|Calcium alkylbenzenesulfonate|Calcium bis(dodecylbenzenesulfonate)|Calcium dodecylbenzensulfonate|Calcium N-dodecylbenzenesulfonate|Dodecylbenzenesulfonic acid calcium salt|Dodecylbenzensulfonic acid calcium salt|EINECS 247-557-8|Sinnozon NCX 70|Soprofor S 70|Wettol EM 1|105864-16-2|12068-14-3|29062-23-5|372965-63-4|41934-13-8|705264-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027891
ERPathway2016 ERPathway2016_123 Calcium dodecylbenzene sulfonate 26264-06-2 DTXSID1027891 ER Pathway Model, Agonist ACC 24.5403891885439 uM Calcium dodecylbenzene sulfonate 26264-06-2|Calcium dodecylbenzene sulfonate|Benzenesulfonic acid, dodecyl-, calcium salt|Calcium alkylaromatic sulfonate|Calcium alkylbenzenesulfonate|Calcium bis(dodecylbenzenesulfonate)|Calcium dodecylbenzensulfonate|Calcium N-dodecylbenzenesulfonate|Dodecylbenzenesulfonic acid calcium salt|Dodecylbenzensulfonic acid calcium salt|EINECS 247-557-8|Sinnozon NCX 70|Soprofor S 70|Wettol EM 1|105864-16-2|12068-14-3|29062-23-5|372965-63-4|41934-13-8|705264-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027891
ERPathway2016 ERPathway2016_123 Calcium dodecylbenzene sulfonate 26264-06-2 DTXSID1027891 ER Pathway Model, Agonist Model Score 0 Unitless Calcium dodecylbenzene sulfonate 26264-06-2|Calcium dodecylbenzene sulfonate|Benzenesulfonic acid, dodecyl-, calcium salt|Calcium alkylaromatic sulfonate|Calcium alkylbenzenesulfonate|Calcium bis(dodecylbenzenesulfonate)|Calcium dodecylbenzensulfonate|Calcium N-dodecylbenzenesulfonate|Dodecylbenzenesulfonic acid calcium salt|Dodecylbenzensulfonic acid calcium salt|EINECS 247-557-8|Sinnozon NCX 70|Soprofor S 70|Wettol EM 1|105864-16-2|12068-14-3|29062-23-5|372965-63-4|41934-13-8|705264-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027891
ERPathway2016 ERPathway2016_123 Calcium dodecylbenzene sulfonate 26264-06-2 DTXSID1027891 ER Pathway Model, Antagonist Model Score 0.0477 Unitless Calcium dodecylbenzene sulfonate 26264-06-2|Calcium dodecylbenzene sulfonate|Benzenesulfonic acid, dodecyl-, calcium salt|Calcium alkylaromatic sulfonate|Calcium alkylbenzenesulfonate|Calcium bis(dodecylbenzenesulfonate)|Calcium dodecylbenzensulfonate|Calcium N-dodecylbenzenesulfonate|Dodecylbenzenesulfonic acid calcium salt|Dodecylbenzensulfonic acid calcium salt|EINECS 247-557-8|Sinnozon NCX 70|Soprofor S 70|Wettol EM 1|105864-16-2|12068-14-3|29062-23-5|372965-63-4|41934-13-8|705264-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027891
ERPathway2016 ERPathway2016_123 Calcium dodecylbenzene sulfonate 26264-06-2 DTXSID1027891 ER Pathway Model, Agonist Call Active Unitless Calcium dodecylbenzene sulfonate 26264-06-2|Calcium dodecylbenzene sulfonate|Benzenesulfonic acid, dodecyl-, calcium salt|Calcium alkylaromatic sulfonate|Calcium alkylbenzenesulfonate|Calcium bis(dodecylbenzenesulfonate)|Calcium dodecylbenzensulfonate|Calcium N-dodecylbenzenesulfonate|Dodecylbenzenesulfonic acid calcium salt|Dodecylbenzensulfonic acid calcium salt|EINECS 247-557-8|Sinnozon NCX 70|Soprofor S 70|Wettol EM 1|105864-16-2|12068-14-3|29062-23-5|372965-63-4|41934-13-8|705264-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027891
ERPathway2016 ERPathway2016_123 Calcium dodecylbenzene sulfonate 26264-06-2 DTXSID1027891 ER Pathway Model, Antagonist Call Inactive Unitless Calcium dodecylbenzene sulfonate 26264-06-2|Calcium dodecylbenzene sulfonate|Benzenesulfonic acid, dodecyl-, calcium salt|Calcium alkylaromatic sulfonate|Calcium alkylbenzenesulfonate|Calcium bis(dodecylbenzenesulfonate)|Calcium dodecylbenzensulfonate|Calcium N-dodecylbenzenesulfonate|Dodecylbenzenesulfonic acid calcium salt|Dodecylbenzensulfonic acid calcium salt|EINECS 247-557-8|Sinnozon NCX 70|Soprofor S 70|Wettol EM 1|105864-16-2|12068-14-3|29062-23-5|372965-63-4|41934-13-8|705264-21-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027891
ARPathway2016 ARPathway2016_1089 Calcium neodecanoate 27253-33-4 DTXSID9044902 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Calcium neodecanoate 27253-33-4|Calcium neodecanoate|248-375-1|calcium neodecanoate|Calcium Ten-Cem|Duroct Calcium|EC No.: 248-375-1|EINECS 248-375-1|Neodecanoic acid, calcium salt|Neodecanoic acid, calcium salt (2:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044902
ARPathway2016 ARPathway2016_1089 Calcium neodecanoate 27253-33-4 DTXSID9044902 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Calcium neodecanoate 27253-33-4|Calcium neodecanoate|248-375-1|calcium neodecanoate|Calcium Ten-Cem|Duroct Calcium|EC No.: 248-375-1|EINECS 248-375-1|Neodecanoic acid, calcium salt|Neodecanoic acid, calcium salt (2:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044902
ARPathway2016 ARPathway2016_1089 Calcium neodecanoate 27253-33-4 DTXSID9044902 0.0 AR Pathway Model, Agonist Call Inactive Unitless Calcium neodecanoate 27253-33-4|Calcium neodecanoate|248-375-1|calcium neodecanoate|Calcium Ten-Cem|Duroct Calcium|EC No.: 248-375-1|EINECS 248-375-1|Neodecanoic acid, calcium salt|Neodecanoic acid, calcium salt (2:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044902
ARPathway2016 ARPathway2016_1089 Calcium neodecanoate 27253-33-4 DTXSID9044902 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Calcium neodecanoate 27253-33-4|Calcium neodecanoate|248-375-1|calcium neodecanoate|Calcium Ten-Cem|Duroct Calcium|EC No.: 248-375-1|EINECS 248-375-1|Neodecanoic acid, calcium salt|Neodecanoic acid, calcium salt (2:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044902
ERPathway2016 ERPathway2016_509 Calcium neodecanoate 27253-33-4 DTXSID9044902 ER Pathway Model, Agonist Model Score 0 Unitless Calcium neodecanoate 27253-33-4|Calcium neodecanoate|248-375-1|calcium neodecanoate|Calcium Ten-Cem|Duroct Calcium|EC No.: 248-375-1|EINECS 248-375-1|Neodecanoic acid, calcium salt|Neodecanoic acid, calcium salt (2:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044902
ERPathway2016 ERPathway2016_509 Calcium neodecanoate 27253-33-4 DTXSID9044902 ER Pathway Model, Antagonist Model Score 0 Unitless Calcium neodecanoate 27253-33-4|Calcium neodecanoate|248-375-1|calcium neodecanoate|Calcium Ten-Cem|Duroct Calcium|EC No.: 248-375-1|EINECS 248-375-1|Neodecanoic acid, calcium salt|Neodecanoic acid, calcium salt (2:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044902
ERPathway2016 ERPathway2016_509 Calcium neodecanoate 27253-33-4 DTXSID9044902 ER Pathway Model, Agonist Call Inactive Unitless Calcium neodecanoate 27253-33-4|Calcium neodecanoate|248-375-1|calcium neodecanoate|Calcium Ten-Cem|Duroct Calcium|EC No.: 248-375-1|EINECS 248-375-1|Neodecanoic acid, calcium salt|Neodecanoic acid, calcium salt (2:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044902
ERPathway2016 ERPathway2016_509 Calcium neodecanoate 27253-33-4 DTXSID9044902 ER Pathway Model, Antagonist Call Inactive Unitless Calcium neodecanoate 27253-33-4|Calcium neodecanoate|248-375-1|calcium neodecanoate|Calcium Ten-Cem|Duroct Calcium|EC No.: 248-375-1|EINECS 248-375-1|Neodecanoic acid, calcium salt|Neodecanoic acid, calcium salt (2:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044902
ARPathway2016 ARPathway2016_1592 Camphene 79-92-5 DTXSID8026488 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)C2CCC(C2)C1=C Camphene 79-92-5|Camphene|(+/-)-2,2-DIMETHYLENEBICYCLO[2.2.1]HEPTANE|(+/-)-Camphene|2-Methylene-3,3-dimethylbicyclo[2.2.1]heptane|2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane|2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane|2,2-Dimethyl-3-methylenenorbornane|3,3-Dimethyl-2-methylenenorbornane|3,3-Dimethyl-2-methylenenorcamphane|3,3-Dimethyl-2-methylenenorcamphene|3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane|Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-|BICYCLO[2.2.1]HEPTANE, 2,2-DIMETHYL-3-METHYLENE-,(+)-|Camphen|Camphene (2,2-dimethyl-3-methylene-norbornane)|canfeno|Comphene|dl-Camphene|EINECS 201-234-8|EINECS 209-275-3|FEMA No. 2229|NSC 4165|UNII-G3VG94Z26E|565-00-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026488
ARPathway2016 ARPathway2016_1592 Camphene 79-92-5 DTXSID8026488 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)C2CCC(C2)C1=C Camphene 79-92-5|Camphene|(+/-)-2,2-DIMETHYLENEBICYCLO[2.2.1]HEPTANE|(+/-)-Camphene|2-Methylene-3,3-dimethylbicyclo[2.2.1]heptane|2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane|2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane|2,2-Dimethyl-3-methylenenorbornane|3,3-Dimethyl-2-methylenenorbornane|3,3-Dimethyl-2-methylenenorcamphane|3,3-Dimethyl-2-methylenenorcamphene|3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane|Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-|BICYCLO[2.2.1]HEPTANE, 2,2-DIMETHYL-3-METHYLENE-,(+)-|Camphen|Camphene (2,2-dimethyl-3-methylene-norbornane)|canfeno|Comphene|dl-Camphene|EINECS 201-234-8|EINECS 209-275-3|FEMA No. 2229|NSC 4165|UNII-G3VG94Z26E|565-00-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026488
ARPathway2016 ARPathway2016_1592 Camphene 79-92-5 DTXSID8026488 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)C2CCC(C2)C1=C Camphene 79-92-5|Camphene|(+/-)-2,2-DIMETHYLENEBICYCLO[2.2.1]HEPTANE|(+/-)-Camphene|2-Methylene-3,3-dimethylbicyclo[2.2.1]heptane|2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane|2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane|2,2-Dimethyl-3-methylenenorbornane|3,3-Dimethyl-2-methylenenorbornane|3,3-Dimethyl-2-methylenenorcamphane|3,3-Dimethyl-2-methylenenorcamphene|3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane|Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-|BICYCLO[2.2.1]HEPTANE, 2,2-DIMETHYL-3-METHYLENE-,(+)-|Camphen|Camphene (2,2-dimethyl-3-methylene-norbornane)|canfeno|Comphene|dl-Camphene|EINECS 201-234-8|EINECS 209-275-3|FEMA No. 2229|NSC 4165|UNII-G3VG94Z26E|565-00-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026488
ARPathway2016 ARPathway2016_1592 Camphene 79-92-5 DTXSID8026488 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)C2CCC(C2)C1=C Camphene 79-92-5|Camphene|(+/-)-2,2-DIMETHYLENEBICYCLO[2.2.1]HEPTANE|(+/-)-Camphene|2-Methylene-3,3-dimethylbicyclo[2.2.1]heptane|2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane|2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane|2,2-Dimethyl-3-methylenenorbornane|3,3-Dimethyl-2-methylenenorbornane|3,3-Dimethyl-2-methylenenorcamphane|3,3-Dimethyl-2-methylenenorcamphene|3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane|Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-|BICYCLO[2.2.1]HEPTANE, 2,2-DIMETHYL-3-METHYLENE-,(+)-|Camphen|Camphene (2,2-dimethyl-3-methylene-norbornane)|canfeno|Comphene|dl-Camphene|EINECS 201-234-8|EINECS 209-275-3|FEMA No. 2229|NSC 4165|UNII-G3VG94Z26E|565-00-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026488
ERPathway2016 ERPathway2016_1677 Camphene 79-92-5 DTXSID8026488 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)C2CCC(C2)C1=C Camphene 79-92-5|Camphene|(+/-)-2,2-DIMETHYLENEBICYCLO[2.2.1]HEPTANE|(+/-)-Camphene|2-Methylene-3,3-dimethylbicyclo[2.2.1]heptane|2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane|2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane|2,2-Dimethyl-3-methylenenorbornane|3,3-Dimethyl-2-methylenenorbornane|3,3-Dimethyl-2-methylenenorcamphane|3,3-Dimethyl-2-methylenenorcamphene|3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane|Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-|BICYCLO[2.2.1]HEPTANE, 2,2-DIMETHYL-3-METHYLENE-,(+)-|Camphen|Camphene (2,2-dimethyl-3-methylene-norbornane)|canfeno|Comphene|dl-Camphene|EINECS 201-234-8|EINECS 209-275-3|FEMA No. 2229|NSC 4165|UNII-G3VG94Z26E|565-00-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026488
ERPathway2016 ERPathway2016_1677 Camphene 79-92-5 DTXSID8026488 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)C2CCC(C2)C1=C Camphene 79-92-5|Camphene|(+/-)-2,2-DIMETHYLENEBICYCLO[2.2.1]HEPTANE|(+/-)-Camphene|2-Methylene-3,3-dimethylbicyclo[2.2.1]heptane|2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane|2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane|2,2-Dimethyl-3-methylenenorbornane|3,3-Dimethyl-2-methylenenorbornane|3,3-Dimethyl-2-methylenenorcamphane|3,3-Dimethyl-2-methylenenorcamphene|3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane|Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-|BICYCLO[2.2.1]HEPTANE, 2,2-DIMETHYL-3-METHYLENE-,(+)-|Camphen|Camphene (2,2-dimethyl-3-methylene-norbornane)|canfeno|Comphene|dl-Camphene|EINECS 201-234-8|EINECS 209-275-3|FEMA No. 2229|NSC 4165|UNII-G3VG94Z26E|565-00-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026488
ERPathway2016 ERPathway2016_1677 Camphene 79-92-5 DTXSID8026488 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)C2CCC(C2)C1=C Camphene 79-92-5|Camphene|(+/-)-2,2-DIMETHYLENEBICYCLO[2.2.1]HEPTANE|(+/-)-Camphene|2-Methylene-3,3-dimethylbicyclo[2.2.1]heptane|2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane|2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane|2,2-Dimethyl-3-methylenenorbornane|3,3-Dimethyl-2-methylenenorbornane|3,3-Dimethyl-2-methylenenorcamphane|3,3-Dimethyl-2-methylenenorcamphene|3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane|Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-|BICYCLO[2.2.1]HEPTANE, 2,2-DIMETHYL-3-METHYLENE-,(+)-|Camphen|Camphene (2,2-dimethyl-3-methylene-norbornane)|canfeno|Comphene|dl-Camphene|EINECS 201-234-8|EINECS 209-275-3|FEMA No. 2229|NSC 4165|UNII-G3VG94Z26E|565-00-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026488
ERPathway2016 ERPathway2016_1677 Camphene 79-92-5 DTXSID8026488 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)C2CCC(C2)C1=C Camphene 79-92-5|Camphene|(+/-)-2,2-DIMETHYLENEBICYCLO[2.2.1]HEPTANE|(+/-)-Camphene|2-Methylene-3,3-dimethylbicyclo[2.2.1]heptane|2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane|2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane|2,2-Dimethyl-3-methylenenorbornane|3,3-Dimethyl-2-methylenenorbornane|3,3-Dimethyl-2-methylenenorcamphane|3,3-Dimethyl-2-methylenenorcamphene|3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane|Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-|BICYCLO[2.2.1]HEPTANE, 2,2-DIMETHYL-3-METHYLENE-,(+)-|Camphen|Camphene (2,2-dimethyl-3-methylene-norbornane)|canfeno|Comphene|dl-Camphene|EINECS 201-234-8|EINECS 209-275-3|FEMA No. 2229|NSC 4165|UNII-G3VG94Z26E|565-00-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026488
ARPathway2016 ARPathway2016_713 Candoxatril 123122-55-4 DTXSID6047286 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)OC1=CC2=C(CCC2)C=C1 Candoxatril 123122-55-4|Candoxatril|[4(S)-cis]-4-[[[1-[3-[(2,3-dihydro-1H-indeb5-yl)oxy]-2-[(2-methoxyethoxy)methyl]-3-oxopropyl]cyclopentyl]carbonyl]amino]cyclohexanecarboxylic acid|UNII-ACP75508EE https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047286
ARPathway2016 ARPathway2016_713 Candoxatril 123122-55-4 DTXSID6047286 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)OC1=CC2=C(CCC2)C=C1 Candoxatril 123122-55-4|Candoxatril|[4(S)-cis]-4-[[[1-[3-[(2,3-dihydro-1H-indeb5-yl)oxy]-2-[(2-methoxyethoxy)methyl]-3-oxopropyl]cyclopentyl]carbonyl]amino]cyclohexanecarboxylic acid|UNII-ACP75508EE https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047286
ARPathway2016 ARPathway2016_713 Candoxatril 123122-55-4 DTXSID6047286 0.0 AR Pathway Model, Agonist Call Inactive Unitless COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)OC1=CC2=C(CCC2)C=C1 Candoxatril 123122-55-4|Candoxatril|[4(S)-cis]-4-[[[1-[3-[(2,3-dihydro-1H-indeb5-yl)oxy]-2-[(2-methoxyethoxy)methyl]-3-oxopropyl]cyclopentyl]carbonyl]amino]cyclohexanecarboxylic acid|UNII-ACP75508EE https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047286
ARPathway2016 ARPathway2016_713 Candoxatril 123122-55-4 DTXSID6047286 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)OC1=CC2=C(CCC2)C=C1 Candoxatril 123122-55-4|Candoxatril|[4(S)-cis]-4-[[[1-[3-[(2,3-dihydro-1H-indeb5-yl)oxy]-2-[(2-methoxyethoxy)methyl]-3-oxopropyl]cyclopentyl]carbonyl]amino]cyclohexanecarboxylic acid|UNII-ACP75508EE https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047286
ERPathway2016 ERPathway2016_1231 Candoxatril 123122-55-4 DTXSID6047286 ER Pathway Model, Agonist Model Score 0 Unitless COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)OC1=CC2=C(CCC2)C=C1 Candoxatril 123122-55-4|Candoxatril|[4(S)-cis]-4-[[[1-[3-[(2,3-dihydro-1H-indeb5-yl)oxy]-2-[(2-methoxyethoxy)methyl]-3-oxopropyl]cyclopentyl]carbonyl]amino]cyclohexanecarboxylic acid|UNII-ACP75508EE https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047286
ERPathway2016 ERPathway2016_1231 Candoxatril 123122-55-4 DTXSID6047286 ER Pathway Model, Antagonist Model Score 0 Unitless COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)OC1=CC2=C(CCC2)C=C1 Candoxatril 123122-55-4|Candoxatril|[4(S)-cis]-4-[[[1-[3-[(2,3-dihydro-1H-indeb5-yl)oxy]-2-[(2-methoxyethoxy)methyl]-3-oxopropyl]cyclopentyl]carbonyl]amino]cyclohexanecarboxylic acid|UNII-ACP75508EE https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047286
ERPathway2016 ERPathway2016_1231 Candoxatril 123122-55-4 DTXSID6047286 ER Pathway Model, Agonist Call Inactive Unitless COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)OC1=CC2=C(CCC2)C=C1 Candoxatril 123122-55-4|Candoxatril|[4(S)-cis]-4-[[[1-[3-[(2,3-dihydro-1H-indeb5-yl)oxy]-2-[(2-methoxyethoxy)methyl]-3-oxopropyl]cyclopentyl]carbonyl]amino]cyclohexanecarboxylic acid|UNII-ACP75508EE https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047286
ERPathway2016 ERPathway2016_1231 Candoxatril 123122-55-4 DTXSID6047286 ER Pathway Model, Antagonist Call Inactive Unitless COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)OC1=CC2=C(CCC2)C=C1 Candoxatril 123122-55-4|Candoxatril|[4(S)-cis]-4-[[[1-[3-[(2,3-dihydro-1H-indeb5-yl)oxy]-2-[(2-methoxyethoxy)methyl]-3-oxopropyl]cyclopentyl]carbonyl]amino]cyclohexanecarboxylic acid|UNII-ACP75508EE https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047286
ARPathway2016 ARPathway2016_460 Caprolactam 105-60-2 DTXSID4020240 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless O=C1CCCCCN1 Caprolactam 105-60-2|Caprolactam|]-caprolactama|1-Aza-2-cycloheptanone|1,6-Hexalactam|1,6-Hexolactam|2-Azacycloheptanone|2-azepanone|2-ketohexamethyleneimine|2-Ketohexamethylenimine|2-Oxohexamethyleneimine|2-Oxohexamethylenimine|2-Perhydroazepinone|203-313-2|2H-Azepin-2-one, hexahydro-|2H-Azepin-7-one, hexahydro-|5-21-06-00444|6-Aminocaproic acid lactam|6-Aminohexanoic acid cyclic lactam|6-Caprolactam|6-Hexanelactam|Aminocaproic lactam|Azepan-2-one|BRN 0106934|Caprolactam monomer|CAPROLACTAM, e-|Caprolattame|Cyclohexanone iso-oxime|e-Kaprolaktam|EC No.: 203-313-2|EINECS 203-313-2|EPSILON-CAPROLACTAM|Epsylon kaprolaktam|Hexahydro-1H-azepin-2-one|Hexahydro-2-azepinone|Hexahydro-2H-azepin-2-one|Hexamethylenimine, 2-oxo-|Hexano-6-lactam|Hexanoic acid, 6-amino-, cyclic lactam|Hexanoic acid, 6-amino-, lactam|Hexanolactam|Hexanone isoxime|Hexanonisoxim|Kaprolaktam|Kapromine|NCI-C50646|NSC 117393|NSC 25536|NSC 4977|UNII-6879X594Z8|e-caprolactam|e-Caprolactame|o-Caprolactam|117955-36-9|168214-28-6|2953-03-9|32838-21-4|32838-23-6|34876-18-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020240 https://doi.org/10.22427/NTP-DATA-DTXSID4020240
ARPathway2016 ARPathway2016_460 Caprolactam 105-60-2 DTXSID4020240 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless O=C1CCCCCN1 Caprolactam 105-60-2|Caprolactam|]-caprolactama|1-Aza-2-cycloheptanone|1,6-Hexalactam|1,6-Hexolactam|2-Azacycloheptanone|2-azepanone|2-ketohexamethyleneimine|2-Ketohexamethylenimine|2-Oxohexamethyleneimine|2-Oxohexamethylenimine|2-Perhydroazepinone|203-313-2|2H-Azepin-2-one, hexahydro-|2H-Azepin-7-one, hexahydro-|5-21-06-00444|6-Aminocaproic acid lactam|6-Aminohexanoic acid cyclic lactam|6-Caprolactam|6-Hexanelactam|Aminocaproic lactam|Azepan-2-one|BRN 0106934|Caprolactam monomer|CAPROLACTAM, e-|Caprolattame|Cyclohexanone iso-oxime|e-Kaprolaktam|EC No.: 203-313-2|EINECS 203-313-2|EPSILON-CAPROLACTAM|Epsylon kaprolaktam|Hexahydro-1H-azepin-2-one|Hexahydro-2-azepinone|Hexahydro-2H-azepin-2-one|Hexamethylenimine, 2-oxo-|Hexano-6-lactam|Hexanoic acid, 6-amino-, cyclic lactam|Hexanoic acid, 6-amino-, lactam|Hexanolactam|Hexanone isoxime|Hexanonisoxim|Kaprolaktam|Kapromine|NCI-C50646|NSC 117393|NSC 25536|NSC 4977|UNII-6879X594Z8|e-caprolactam|e-Caprolactame|o-Caprolactam|117955-36-9|168214-28-6|2953-03-9|32838-21-4|32838-23-6|34876-18-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020240 https://doi.org/10.22427/NTP-DATA-DTXSID4020240
ARPathway2016 ARPathway2016_460 Caprolactam 105-60-2 DTXSID4020240 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Inactive Unitless O=C1CCCCCN1 Caprolactam 105-60-2|Caprolactam|]-caprolactama|1-Aza-2-cycloheptanone|1,6-Hexalactam|1,6-Hexolactam|2-Azacycloheptanone|2-azepanone|2-ketohexamethyleneimine|2-Ketohexamethylenimine|2-Oxohexamethyleneimine|2-Oxohexamethylenimine|2-Perhydroazepinone|203-313-2|2H-Azepin-2-one, hexahydro-|2H-Azepin-7-one, hexahydro-|5-21-06-00444|6-Aminocaproic acid lactam|6-Aminohexanoic acid cyclic lactam|6-Caprolactam|6-Hexanelactam|Aminocaproic lactam|Azepan-2-one|BRN 0106934|Caprolactam monomer|CAPROLACTAM, e-|Caprolattame|Cyclohexanone iso-oxime|e-Kaprolaktam|EC No.: 203-313-2|EINECS 203-313-2|EPSILON-CAPROLACTAM|Epsylon kaprolaktam|Hexahydro-1H-azepin-2-one|Hexahydro-2-azepinone|Hexahydro-2H-azepin-2-one|Hexamethylenimine, 2-oxo-|Hexano-6-lactam|Hexanoic acid, 6-amino-, cyclic lactam|Hexanoic acid, 6-amino-, lactam|Hexanolactam|Hexanone isoxime|Hexanonisoxim|Kaprolaktam|Kapromine|NCI-C50646|NSC 117393|NSC 25536|NSC 4977|UNII-6879X594Z8|e-caprolactam|e-Caprolactame|o-Caprolactam|117955-36-9|168214-28-6|2953-03-9|32838-21-4|32838-23-6|34876-18-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020240 https://doi.org/10.22427/NTP-DATA-DTXSID4020240
ARPathway2016 ARPathway2016_460 Caprolactam 105-60-2 DTXSID4020240 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless O=C1CCCCCN1 Caprolactam 105-60-2|Caprolactam|]-caprolactama|1-Aza-2-cycloheptanone|1,6-Hexalactam|1,6-Hexolactam|2-Azacycloheptanone|2-azepanone|2-ketohexamethyleneimine|2-Ketohexamethylenimine|2-Oxohexamethyleneimine|2-Oxohexamethylenimine|2-Perhydroazepinone|203-313-2|2H-Azepin-2-one, hexahydro-|2H-Azepin-7-one, hexahydro-|5-21-06-00444|6-Aminocaproic acid lactam|6-Aminohexanoic acid cyclic lactam|6-Caprolactam|6-Hexanelactam|Aminocaproic lactam|Azepan-2-one|BRN 0106934|Caprolactam monomer|CAPROLACTAM, e-|Caprolattame|Cyclohexanone iso-oxime|e-Kaprolaktam|EC No.: 203-313-2|EINECS 203-313-2|EPSILON-CAPROLACTAM|Epsylon kaprolaktam|Hexahydro-1H-azepin-2-one|Hexahydro-2-azepinone|Hexahydro-2H-azepin-2-one|Hexamethylenimine, 2-oxo-|Hexano-6-lactam|Hexanoic acid, 6-amino-, cyclic lactam|Hexanoic acid, 6-amino-, lactam|Hexanolactam|Hexanone isoxime|Hexanonisoxim|Kaprolaktam|Kapromine|NCI-C50646|NSC 117393|NSC 25536|NSC 4977|UNII-6879X594Z8|e-caprolactam|e-Caprolactame|o-Caprolactam|117955-36-9|168214-28-6|2953-03-9|32838-21-4|32838-23-6|34876-18-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020240 https://doi.org/10.22427/NTP-DATA-DTXSID4020240
ERPathway2016 ERPathway2016_830 Caprolactam 105-60-2 DTXSID4020240 ER Pathway Model, Agonist Model Score 0 Unitless O=C1CCCCCN1 Caprolactam 105-60-2|Caprolactam|]-caprolactama|1-Aza-2-cycloheptanone|1,6-Hexalactam|1,6-Hexolactam|2-Azacycloheptanone|2-azepanone|2-ketohexamethyleneimine|2-Ketohexamethylenimine|2-Oxohexamethyleneimine|2-Oxohexamethylenimine|2-Perhydroazepinone|203-313-2|2H-Azepin-2-one, hexahydro-|2H-Azepin-7-one, hexahydro-|5-21-06-00444|6-Aminocaproic acid lactam|6-Aminohexanoic acid cyclic lactam|6-Caprolactam|6-Hexanelactam|Aminocaproic lactam|Azepan-2-one|BRN 0106934|Caprolactam monomer|CAPROLACTAM, e-|Caprolattame|Cyclohexanone iso-oxime|e-Kaprolaktam|EC No.: 203-313-2|EINECS 203-313-2|EPSILON-CAPROLACTAM|Epsylon kaprolaktam|Hexahydro-1H-azepin-2-one|Hexahydro-2-azepinone|Hexahydro-2H-azepin-2-one|Hexamethylenimine, 2-oxo-|Hexano-6-lactam|Hexanoic acid, 6-amino-, cyclic lactam|Hexanoic acid, 6-amino-, lactam|Hexanolactam|Hexanone isoxime|Hexanonisoxim|Kaprolaktam|Kapromine|NCI-C50646|NSC 117393|NSC 25536|NSC 4977|UNII-6879X594Z8|e-caprolactam|e-Caprolactame|o-Caprolactam|117955-36-9|168214-28-6|2953-03-9|32838-21-4|32838-23-6|34876-18-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020240 https://doi.org/10.22427/NTP-DATA-DTXSID4020240
ERPathway2016 ERPathway2016_830 Caprolactam 105-60-2 DTXSID4020240 ER Pathway Model, Antagonist Model Score 0 Unitless O=C1CCCCCN1 Caprolactam 105-60-2|Caprolactam|]-caprolactama|1-Aza-2-cycloheptanone|1,6-Hexalactam|1,6-Hexolactam|2-Azacycloheptanone|2-azepanone|2-ketohexamethyleneimine|2-Ketohexamethylenimine|2-Oxohexamethyleneimine|2-Oxohexamethylenimine|2-Perhydroazepinone|203-313-2|2H-Azepin-2-one, hexahydro-|2H-Azepin-7-one, hexahydro-|5-21-06-00444|6-Aminocaproic acid lactam|6-Aminohexanoic acid cyclic lactam|6-Caprolactam|6-Hexanelactam|Aminocaproic lactam|Azepan-2-one|BRN 0106934|Caprolactam monomer|CAPROLACTAM, e-|Caprolattame|Cyclohexanone iso-oxime|e-Kaprolaktam|EC No.: 203-313-2|EINECS 203-313-2|EPSILON-CAPROLACTAM|Epsylon kaprolaktam|Hexahydro-1H-azepin-2-one|Hexahydro-2-azepinone|Hexahydro-2H-azepin-2-one|Hexamethylenimine, 2-oxo-|Hexano-6-lactam|Hexanoic acid, 6-amino-, cyclic lactam|Hexanoic acid, 6-amino-, lactam|Hexanolactam|Hexanone isoxime|Hexanonisoxim|Kaprolaktam|Kapromine|NCI-C50646|NSC 117393|NSC 25536|NSC 4977|UNII-6879X594Z8|e-caprolactam|e-Caprolactame|o-Caprolactam|117955-36-9|168214-28-6|2953-03-9|32838-21-4|32838-23-6|34876-18-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020240 https://doi.org/10.22427/NTP-DATA-DTXSID4020240
ERPathway2016 ERPathway2016_830 Caprolactam 105-60-2 DTXSID4020240 ER Pathway Model, Agonist Call Inactive Unitless O=C1CCCCCN1 Caprolactam 105-60-2|Caprolactam|]-caprolactama|1-Aza-2-cycloheptanone|1,6-Hexalactam|1,6-Hexolactam|2-Azacycloheptanone|2-azepanone|2-ketohexamethyleneimine|2-Ketohexamethylenimine|2-Oxohexamethyleneimine|2-Oxohexamethylenimine|2-Perhydroazepinone|203-313-2|2H-Azepin-2-one, hexahydro-|2H-Azepin-7-one, hexahydro-|5-21-06-00444|6-Aminocaproic acid lactam|6-Aminohexanoic acid cyclic lactam|6-Caprolactam|6-Hexanelactam|Aminocaproic lactam|Azepan-2-one|BRN 0106934|Caprolactam monomer|CAPROLACTAM, e-|Caprolattame|Cyclohexanone iso-oxime|e-Kaprolaktam|EC No.: 203-313-2|EINECS 203-313-2|EPSILON-CAPROLACTAM|Epsylon kaprolaktam|Hexahydro-1H-azepin-2-one|Hexahydro-2-azepinone|Hexahydro-2H-azepin-2-one|Hexamethylenimine, 2-oxo-|Hexano-6-lactam|Hexanoic acid, 6-amino-, cyclic lactam|Hexanoic acid, 6-amino-, lactam|Hexanolactam|Hexanone isoxime|Hexanonisoxim|Kaprolaktam|Kapromine|NCI-C50646|NSC 117393|NSC 25536|NSC 4977|UNII-6879X594Z8|e-caprolactam|e-Caprolactame|o-Caprolactam|117955-36-9|168214-28-6|2953-03-9|32838-21-4|32838-23-6|34876-18-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020240 https://doi.org/10.22427/NTP-DATA-DTXSID4020240
ERPathway2016 ERPathway2016_830 Caprolactam 105-60-2 DTXSID4020240 ER Pathway Model, Antagonist Call Inactive Unitless O=C1CCCCCN1 Caprolactam 105-60-2|Caprolactam|]-caprolactama|1-Aza-2-cycloheptanone|1,6-Hexalactam|1,6-Hexolactam|2-Azacycloheptanone|2-azepanone|2-ketohexamethyleneimine|2-Ketohexamethylenimine|2-Oxohexamethyleneimine|2-Oxohexamethylenimine|2-Perhydroazepinone|203-313-2|2H-Azepin-2-one, hexahydro-|2H-Azepin-7-one, hexahydro-|5-21-06-00444|6-Aminocaproic acid lactam|6-Aminohexanoic acid cyclic lactam|6-Caprolactam|6-Hexanelactam|Aminocaproic lactam|Azepan-2-one|BRN 0106934|Caprolactam monomer|CAPROLACTAM, e-|Caprolattame|Cyclohexanone iso-oxime|e-Kaprolaktam|EC No.: 203-313-2|EINECS 203-313-2|EPSILON-CAPROLACTAM|Epsylon kaprolaktam|Hexahydro-1H-azepin-2-one|Hexahydro-2-azepinone|Hexahydro-2H-azepin-2-one|Hexamethylenimine, 2-oxo-|Hexano-6-lactam|Hexanoic acid, 6-amino-, cyclic lactam|Hexanoic acid, 6-amino-, lactam|Hexanolactam|Hexanone isoxime|Hexanonisoxim|Kaprolaktam|Kapromine|NCI-C50646|NSC 117393|NSC 25536|NSC 4977|UNII-6879X594Z8|e-caprolactam|e-Caprolactame|o-Caprolactam|117955-36-9|168214-28-6|2953-03-9|32838-21-4|32838-23-6|34876-18-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020240 https://doi.org/10.22427/NTP-DATA-DTXSID4020240
ARPathway2016 ARPathway2016_125 Captafol 2425-06-1 DTXSID4020242 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 8.72055139413285 uM ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captafol 2425-06-1|Captafol|(tetrachloroethylthio)tetrahydrophthalimide|1,2,3,6-tetrahydro-N-(1,1,2,2-tetrachloroethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-|3a,4,7,7a-Tetrahydro-2-((1,1,2,2-tetrachloroethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-N-(1,1,2,2-tetrachloroethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-((1,1,2,2-tetrachloroethyl)thio)-|4-Cyclohexene-1,2-dicarboximide, N-[(1,1,2,2-tetrachloroethyl)thio]-|Alfloc 7020|Alfloc 7046|Arborseal|Captaspor|Difolatan|Difolatan 4F|Difolatan 4F1|Difolatan 80W|Difolatan BOW|Difosan|EINECS 219-363-3|Kenofol|Merpafol|N-((1,1,2,2-Tetrachloroethyl)sulfenyl)-cis-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloraethylthio)-cyclohex-4-en-1,4-diacarboximid|N-(1,1,2,2-Tetrachloraethylthio)-tetrahydrophthalamid|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-|30017-05-1|61913-12-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020242
ARPathway2016 ARPathway2016_125 Captafol 2425-06-1 DTXSID4020242 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 7.50372188389553 uM ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captafol 2425-06-1|Captafol|(tetrachloroethylthio)tetrahydrophthalimide|1,2,3,6-tetrahydro-N-(1,1,2,2-tetrachloroethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-|3a,4,7,7a-Tetrahydro-2-((1,1,2,2-tetrachloroethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-N-(1,1,2,2-tetrachloroethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-((1,1,2,2-tetrachloroethyl)thio)-|4-Cyclohexene-1,2-dicarboximide, N-[(1,1,2,2-tetrachloroethyl)thio]-|Alfloc 7020|Alfloc 7046|Arborseal|Captaspor|Difolatan|Difolatan 4F|Difolatan 4F1|Difolatan 80W|Difolatan BOW|Difosan|EINECS 219-363-3|Kenofol|Merpafol|N-((1,1,2,2-Tetrachloroethyl)sulfenyl)-cis-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloraethylthio)-cyclohex-4-en-1,4-diacarboximid|N-(1,1,2,2-Tetrachloraethylthio)-tetrahydrophthalamid|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-|30017-05-1|61913-12-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020242
ARPathway2016 ARPathway2016_125 Captafol 2425-06-1 DTXSID4020242 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.285 Unitless ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captafol 2425-06-1|Captafol|(tetrachloroethylthio)tetrahydrophthalimide|1,2,3,6-tetrahydro-N-(1,1,2,2-tetrachloroethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-|3a,4,7,7a-Tetrahydro-2-((1,1,2,2-tetrachloroethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-N-(1,1,2,2-tetrachloroethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-((1,1,2,2-tetrachloroethyl)thio)-|4-Cyclohexene-1,2-dicarboximide, N-[(1,1,2,2-tetrachloroethyl)thio]-|Alfloc 7020|Alfloc 7046|Arborseal|Captaspor|Difolatan|Difolatan 4F|Difolatan 4F1|Difolatan 80W|Difolatan BOW|Difosan|EINECS 219-363-3|Kenofol|Merpafol|N-((1,1,2,2-Tetrachloroethyl)sulfenyl)-cis-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloraethylthio)-cyclohex-4-en-1,4-diacarboximid|N-(1,1,2,2-Tetrachloraethylthio)-tetrahydrophthalamid|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-|30017-05-1|61913-12-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020242
ARPathway2016 ARPathway2016_125 Captafol 2425-06-1 DTXSID4020242 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captafol 2425-06-1|Captafol|(tetrachloroethylthio)tetrahydrophthalimide|1,2,3,6-tetrahydro-N-(1,1,2,2-tetrachloroethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-|3a,4,7,7a-Tetrahydro-2-((1,1,2,2-tetrachloroethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-N-(1,1,2,2-tetrachloroethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-((1,1,2,2-tetrachloroethyl)thio)-|4-Cyclohexene-1,2-dicarboximide, N-[(1,1,2,2-tetrachloroethyl)thio]-|Alfloc 7020|Alfloc 7046|Arborseal|Captaspor|Difolatan|Difolatan 4F|Difolatan 4F1|Difolatan 80W|Difolatan BOW|Difosan|EINECS 219-363-3|Kenofol|Merpafol|N-((1,1,2,2-Tetrachloroethyl)sulfenyl)-cis-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloraethylthio)-cyclohex-4-en-1,4-diacarboximid|N-(1,1,2,2-Tetrachloraethylthio)-tetrahydrophthalamid|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-|30017-05-1|61913-12-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020242
ARPathway2016 ARPathway2016_125 Captafol 2425-06-1 DTXSID4020242 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captafol 2425-06-1|Captafol|(tetrachloroethylthio)tetrahydrophthalimide|1,2,3,6-tetrahydro-N-(1,1,2,2-tetrachloroethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-|3a,4,7,7a-Tetrahydro-2-((1,1,2,2-tetrachloroethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-N-(1,1,2,2-tetrachloroethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-((1,1,2,2-tetrachloroethyl)thio)-|4-Cyclohexene-1,2-dicarboximide, N-[(1,1,2,2-tetrachloroethyl)thio]-|Alfloc 7020|Alfloc 7046|Arborseal|Captaspor|Difolatan|Difolatan 4F|Difolatan 4F1|Difolatan 80W|Difolatan BOW|Difosan|EINECS 219-363-3|Kenofol|Merpafol|N-((1,1,2,2-Tetrachloroethyl)sulfenyl)-cis-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloraethylthio)-cyclohex-4-en-1,4-diacarboximid|N-(1,1,2,2-Tetrachloraethylthio)-tetrahydrophthalamid|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-|30017-05-1|61913-12-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020242
ARPathway2016 ARPathway2016_125 Captafol 2425-06-1 DTXSID4020242 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captafol 2425-06-1|Captafol|(tetrachloroethylthio)tetrahydrophthalimide|1,2,3,6-tetrahydro-N-(1,1,2,2-tetrachloroethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-|3a,4,7,7a-Tetrahydro-2-((1,1,2,2-tetrachloroethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-N-(1,1,2,2-tetrachloroethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-((1,1,2,2-tetrachloroethyl)thio)-|4-Cyclohexene-1,2-dicarboximide, N-[(1,1,2,2-tetrachloroethyl)thio]-|Alfloc 7020|Alfloc 7046|Arborseal|Captaspor|Difolatan|Difolatan 4F|Difolatan 4F1|Difolatan 80W|Difolatan BOW|Difosan|EINECS 219-363-3|Kenofol|Merpafol|N-((1,1,2,2-Tetrachloroethyl)sulfenyl)-cis-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloraethylthio)-cyclohex-4-en-1,4-diacarboximid|N-(1,1,2,2-Tetrachloraethylthio)-tetrahydrophthalamid|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-|30017-05-1|61913-12-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020242
ERPathway2016 ERPathway2016_578 Captafol 2425-06-1 DTXSID4020242 ER Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captafol 2425-06-1|Captafol|(tetrachloroethylthio)tetrahydrophthalimide|1,2,3,6-tetrahydro-N-(1,1,2,2-tetrachloroethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-|3a,4,7,7a-Tetrahydro-2-((1,1,2,2-tetrachloroethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-N-(1,1,2,2-tetrachloroethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-((1,1,2,2-tetrachloroethyl)thio)-|4-Cyclohexene-1,2-dicarboximide, N-[(1,1,2,2-tetrachloroethyl)thio]-|Alfloc 7020|Alfloc 7046|Arborseal|Captaspor|Difolatan|Difolatan 4F|Difolatan 4F1|Difolatan 80W|Difolatan BOW|Difosan|EINECS 219-363-3|Kenofol|Merpafol|N-((1,1,2,2-Tetrachloroethyl)sulfenyl)-cis-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloraethylthio)-cyclohex-4-en-1,4-diacarboximid|N-(1,1,2,2-Tetrachloraethylthio)-tetrahydrophthalamid|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-|30017-05-1|61913-12-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020242
ERPathway2016 ERPathway2016_578 Captafol 2425-06-1 DTXSID4020242 ER Pathway Model, Antagonist Model Score 0 Unitless ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captafol 2425-06-1|Captafol|(tetrachloroethylthio)tetrahydrophthalimide|1,2,3,6-tetrahydro-N-(1,1,2,2-tetrachloroethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-|3a,4,7,7a-Tetrahydro-2-((1,1,2,2-tetrachloroethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-N-(1,1,2,2-tetrachloroethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-((1,1,2,2-tetrachloroethyl)thio)-|4-Cyclohexene-1,2-dicarboximide, N-[(1,1,2,2-tetrachloroethyl)thio]-|Alfloc 7020|Alfloc 7046|Arborseal|Captaspor|Difolatan|Difolatan 4F|Difolatan 4F1|Difolatan 80W|Difolatan BOW|Difosan|EINECS 219-363-3|Kenofol|Merpafol|N-((1,1,2,2-Tetrachloroethyl)sulfenyl)-cis-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloraethylthio)-cyclohex-4-en-1,4-diacarboximid|N-(1,1,2,2-Tetrachloraethylthio)-tetrahydrophthalamid|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-|30017-05-1|61913-12-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020242
ERPathway2016 ERPathway2016_578 Captafol 2425-06-1 DTXSID4020242 ER Pathway Model, Agonist Call Inactive Unitless ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captafol 2425-06-1|Captafol|(tetrachloroethylthio)tetrahydrophthalimide|1,2,3,6-tetrahydro-N-(1,1,2,2-tetrachloroethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-|3a,4,7,7a-Tetrahydro-2-((1,1,2,2-tetrachloroethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-N-(1,1,2,2-tetrachloroethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-((1,1,2,2-tetrachloroethyl)thio)-|4-Cyclohexene-1,2-dicarboximide, N-[(1,1,2,2-tetrachloroethyl)thio]-|Alfloc 7020|Alfloc 7046|Arborseal|Captaspor|Difolatan|Difolatan 4F|Difolatan 4F1|Difolatan 80W|Difolatan BOW|Difosan|EINECS 219-363-3|Kenofol|Merpafol|N-((1,1,2,2-Tetrachloroethyl)sulfenyl)-cis-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloraethylthio)-cyclohex-4-en-1,4-diacarboximid|N-(1,1,2,2-Tetrachloraethylthio)-tetrahydrophthalamid|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-|30017-05-1|61913-12-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020242
ERPathway2016 ERPathway2016_578 Captafol 2425-06-1 DTXSID4020242 ER Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captafol 2425-06-1|Captafol|(tetrachloroethylthio)tetrahydrophthalimide|1,2,3,6-tetrahydro-N-(1,1,2,2-tetrachloroethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-|3a,4,7,7a-Tetrahydro-2-((1,1,2,2-tetrachloroethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-N-(1,1,2,2-tetrachloroethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-((1,1,2,2-tetrachloroethyl)thio)-|4-Cyclohexene-1,2-dicarboximide, N-[(1,1,2,2-tetrachloroethyl)thio]-|Alfloc 7020|Alfloc 7046|Arborseal|Captaspor|Difolatan|Difolatan 4F|Difolatan 4F1|Difolatan 80W|Difolatan BOW|Difosan|EINECS 219-363-3|Kenofol|Merpafol|N-((1,1,2,2-Tetrachloroethyl)sulfenyl)-cis-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloraethylthio)-cyclohex-4-en-1,4-diacarboximid|N-(1,1,2,2-Tetrachloraethylthio)-tetrahydrophthalamid|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-1,2-dicarboximide|N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-|30017-05-1|61913-12-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020242
ARPathway2016 ARPathway2016_57 Captan 133-06-2 DTXSID9020243 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 12.8047533415551 uM ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captan 133-06-2|Captan|1,2,3,6-Tetrahydro-N-(trichloromethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-|2-[(Trichloromethyl)sulfanyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione|205-087-0|3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-(trichloromethyl)thio-|4-Cyclohexene-1,2-dicarboxylic acid, imide, N(trichloromethylthio)-|Aacaptan|Agrosol S|Agrox 2-way and 3-way|Amercide|Bangtan|Bangton|Bean Seed Protectant|BRN 0023177|Buvisild K|Captadin|Captan [1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-]|Captancapteneet 26,538|Captane|Captanex|Caswell No. 159|EC No.: 205-087-0|EINECS 205-087-0|ENT 26,538|EPA Pesticide Chemical Code 081301|Esso fungicide 406|Fungus Ban Type II|Glyodex 37-22|Glyodex 3722|Granox PFM|Gustafson captan 30-DD|Hexacap|IH-Isoindole-1,3(2H)-di|120528-25-8|1321-42-2|37335-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020243 https://doi.org/10.22427/NTP-DATA-DTXSID9020243
ARPathway2016 ARPathway2016_57 Captan 133-06-2 DTXSID9020243 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 9.42152775307012 uM ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captan 133-06-2|Captan|1,2,3,6-Tetrahydro-N-(trichloromethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-|2-[(Trichloromethyl)sulfanyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione|205-087-0|3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-(trichloromethyl)thio-|4-Cyclohexene-1,2-dicarboxylic acid, imide, N(trichloromethylthio)-|Aacaptan|Agrosol S|Agrox 2-way and 3-way|Amercide|Bangtan|Bangton|Bean Seed Protectant|BRN 0023177|Buvisild K|Captadin|Captan [1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-]|Captancapteneet 26,538|Captane|Captanex|Caswell No. 159|EC No.: 205-087-0|EINECS 205-087-0|ENT 26,538|EPA Pesticide Chemical Code 081301|Esso fungicide 406|Fungus Ban Type II|Glyodex 37-22|Glyodex 3722|Granox PFM|Gustafson captan 30-DD|Hexacap|IH-Isoindole-1,3(2H)-di|120528-25-8|1321-42-2|37335-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020243 https://doi.org/10.22427/NTP-DATA-DTXSID9020243
ARPathway2016 ARPathway2016_57 Captan 133-06-2 DTXSID9020243 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.287 Unitless ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captan 133-06-2|Captan|1,2,3,6-Tetrahydro-N-(trichloromethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-|2-[(Trichloromethyl)sulfanyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione|205-087-0|3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-(trichloromethyl)thio-|4-Cyclohexene-1,2-dicarboxylic acid, imide, N(trichloromethylthio)-|Aacaptan|Agrosol S|Agrox 2-way and 3-way|Amercide|Bangtan|Bangton|Bean Seed Protectant|BRN 0023177|Buvisild K|Captadin|Captan [1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-]|Captancapteneet 26,538|Captane|Captanex|Caswell No. 159|EC No.: 205-087-0|EINECS 205-087-0|ENT 26,538|EPA Pesticide Chemical Code 081301|Esso fungicide 406|Fungus Ban Type II|Glyodex 37-22|Glyodex 3722|Granox PFM|Gustafson captan 30-DD|Hexacap|IH-Isoindole-1,3(2H)-di|120528-25-8|1321-42-2|37335-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020243 https://doi.org/10.22427/NTP-DATA-DTXSID9020243
ARPathway2016 ARPathway2016_57 Captan 133-06-2 DTXSID9020243 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captan 133-06-2|Captan|1,2,3,6-Tetrahydro-N-(trichloromethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-|2-[(Trichloromethyl)sulfanyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione|205-087-0|3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-(trichloromethyl)thio-|4-Cyclohexene-1,2-dicarboxylic acid, imide, N(trichloromethylthio)-|Aacaptan|Agrosol S|Agrox 2-way and 3-way|Amercide|Bangtan|Bangton|Bean Seed Protectant|BRN 0023177|Buvisild K|Captadin|Captan [1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-]|Captancapteneet 26,538|Captane|Captanex|Caswell No. 159|EC No.: 205-087-0|EINECS 205-087-0|ENT 26,538|EPA Pesticide Chemical Code 081301|Esso fungicide 406|Fungus Ban Type II|Glyodex 37-22|Glyodex 3722|Granox PFM|Gustafson captan 30-DD|Hexacap|IH-Isoindole-1,3(2H)-di|120528-25-8|1321-42-2|37335-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020243 https://doi.org/10.22427/NTP-DATA-DTXSID9020243
ARPathway2016 ARPathway2016_57 Captan 133-06-2 DTXSID9020243 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captan 133-06-2|Captan|1,2,3,6-Tetrahydro-N-(trichloromethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-|2-[(Trichloromethyl)sulfanyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione|205-087-0|3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-(trichloromethyl)thio-|4-Cyclohexene-1,2-dicarboxylic acid, imide, N(trichloromethylthio)-|Aacaptan|Agrosol S|Agrox 2-way and 3-way|Amercide|Bangtan|Bangton|Bean Seed Protectant|BRN 0023177|Buvisild K|Captadin|Captan [1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-]|Captancapteneet 26,538|Captane|Captanex|Caswell No. 159|EC No.: 205-087-0|EINECS 205-087-0|ENT 26,538|EPA Pesticide Chemical Code 081301|Esso fungicide 406|Fungus Ban Type II|Glyodex 37-22|Glyodex 3722|Granox PFM|Gustafson captan 30-DD|Hexacap|IH-Isoindole-1,3(2H)-di|120528-25-8|1321-42-2|37335-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020243 https://doi.org/10.22427/NTP-DATA-DTXSID9020243
ARPathway2016 ARPathway2016_57 Captan 133-06-2 DTXSID9020243 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captan 133-06-2|Captan|1,2,3,6-Tetrahydro-N-(trichloromethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-|2-[(Trichloromethyl)sulfanyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione|205-087-0|3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-(trichloromethyl)thio-|4-Cyclohexene-1,2-dicarboxylic acid, imide, N(trichloromethylthio)-|Aacaptan|Agrosol S|Agrox 2-way and 3-way|Amercide|Bangtan|Bangton|Bean Seed Protectant|BRN 0023177|Buvisild K|Captadin|Captan [1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-]|Captancapteneet 26,538|Captane|Captanex|Caswell No. 159|EC No.: 205-087-0|EINECS 205-087-0|ENT 26,538|EPA Pesticide Chemical Code 081301|Esso fungicide 406|Fungus Ban Type II|Glyodex 37-22|Glyodex 3722|Granox PFM|Gustafson captan 30-DD|Hexacap|IH-Isoindole-1,3(2H)-di|120528-25-8|1321-42-2|37335-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020243 https://doi.org/10.22427/NTP-DATA-DTXSID9020243
ERPathway2016 ERPathway2016_570 Captan 133-06-2 DTXSID9020243 R9 ER Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captan 133-06-2|Captan|1,2,3,6-Tetrahydro-N-(trichloromethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-|2-[(Trichloromethyl)sulfanyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione|205-087-0|3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-(trichloromethyl)thio-|4-Cyclohexene-1,2-dicarboxylic acid, imide, N(trichloromethylthio)-|Aacaptan|Agrosol S|Agrox 2-way and 3-way|Amercide|Bangtan|Bangton|Bean Seed Protectant|BRN 0023177|Buvisild K|Captadin|Captan [1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-]|Captancapteneet 26,538|Captane|Captanex|Caswell No. 159|EC No.: 205-087-0|EINECS 205-087-0|ENT 26,538|EPA Pesticide Chemical Code 081301|Esso fungicide 406|Fungus Ban Type II|Glyodex 37-22|Glyodex 3722|Granox PFM|Gustafson captan 30-DD|Hexacap|IH-Isoindole-1,3(2H)-di|120528-25-8|1321-42-2|37335-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020243 https://doi.org/10.22427/NTP-DATA-DTXSID9020243
ERPathway2016 ERPathway2016_570 Captan 133-06-2 DTXSID9020243 R9 ER Pathway Model, Antagonist Model Score 0 Unitless ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captan 133-06-2|Captan|1,2,3,6-Tetrahydro-N-(trichloromethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-|2-[(Trichloromethyl)sulfanyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione|205-087-0|3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-(trichloromethyl)thio-|4-Cyclohexene-1,2-dicarboxylic acid, imide, N(trichloromethylthio)-|Aacaptan|Agrosol S|Agrox 2-way and 3-way|Amercide|Bangtan|Bangton|Bean Seed Protectant|BRN 0023177|Buvisild K|Captadin|Captan [1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-]|Captancapteneet 26,538|Captane|Captanex|Caswell No. 159|EC No.: 205-087-0|EINECS 205-087-0|ENT 26,538|EPA Pesticide Chemical Code 081301|Esso fungicide 406|Fungus Ban Type II|Glyodex 37-22|Glyodex 3722|Granox PFM|Gustafson captan 30-DD|Hexacap|IH-Isoindole-1,3(2H)-di|120528-25-8|1321-42-2|37335-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020243 https://doi.org/10.22427/NTP-DATA-DTXSID9020243
ERPathway2016 ERPathway2016_570 Captan 133-06-2 DTXSID9020243 R9 ER Pathway Model, Agonist Call Inactive Unitless ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captan 133-06-2|Captan|1,2,3,6-Tetrahydro-N-(trichloromethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-|2-[(Trichloromethyl)sulfanyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione|205-087-0|3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-(trichloromethyl)thio-|4-Cyclohexene-1,2-dicarboxylic acid, imide, N(trichloromethylthio)-|Aacaptan|Agrosol S|Agrox 2-way and 3-way|Amercide|Bangtan|Bangton|Bean Seed Protectant|BRN 0023177|Buvisild K|Captadin|Captan [1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-]|Captancapteneet 26,538|Captane|Captanex|Caswell No. 159|EC No.: 205-087-0|EINECS 205-087-0|ENT 26,538|EPA Pesticide Chemical Code 081301|Esso fungicide 406|Fungus Ban Type II|Glyodex 37-22|Glyodex 3722|Granox PFM|Gustafson captan 30-DD|Hexacap|IH-Isoindole-1,3(2H)-di|120528-25-8|1321-42-2|37335-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020243 https://doi.org/10.22427/NTP-DATA-DTXSID9020243
ERPathway2016 ERPathway2016_570 Captan 133-06-2 DTXSID9020243 R9 ER Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O Captan 133-06-2|Captan|1,2,3,6-Tetrahydro-N-(trichloromethylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-|2-[(Trichloromethyl)sulfanyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione|205-087-0|3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide|4-Cyclohexene-1,2-dicarboximide, N-(trichloromethyl)thio-|4-Cyclohexene-1,2-dicarboxylic acid, imide, N(trichloromethylthio)-|Aacaptan|Agrosol S|Agrox 2-way and 3-way|Amercide|Bangtan|Bangton|Bean Seed Protectant|BRN 0023177|Buvisild K|Captadin|Captan [1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-]|Captancapteneet 26,538|Captane|Captanex|Caswell No. 159|EC No.: 205-087-0|EINECS 205-087-0|ENT 26,538|EPA Pesticide Chemical Code 081301|Esso fungicide 406|Fungus Ban Type II|Glyodex 37-22|Glyodex 3722|Granox PFM|Gustafson captan 30-DD|Hexacap|IH-Isoindole-1,3(2H)-di|120528-25-8|1321-42-2|37335-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020243 https://doi.org/10.22427/NTP-DATA-DTXSID9020243
ARPathway2016 ARPathway2016_953 Carabersat 184653-84-7 DTXSID6047319 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C1=CC2=C(OC(C)(C)[C@H](O)[C@H]2NC(=O)C2=CC=C(F)C=C2)C=C1 Carabersat 184653-84-7|Carabersat|UNII-K9R83652CK https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047319
ARPathway2016 ARPathway2016_953 Carabersat 184653-84-7 DTXSID6047319 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)C1=CC2=C(OC(C)(C)[C@H](O)[C@H]2NC(=O)C2=CC=C(F)C=C2)C=C1 Carabersat 184653-84-7|Carabersat|UNII-K9R83652CK https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047319
ARPathway2016 ARPathway2016_953 Carabersat 184653-84-7 DTXSID6047319 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)C1=CC2=C(OC(C)(C)[C@H](O)[C@H]2NC(=O)C2=CC=C(F)C=C2)C=C1 Carabersat 184653-84-7|Carabersat|UNII-K9R83652CK https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047319
ARPathway2016 ARPathway2016_953 Carabersat 184653-84-7 DTXSID6047319 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)C1=CC2=C(OC(C)(C)[C@H](O)[C@H]2NC(=O)C2=CC=C(F)C=C2)C=C1 Carabersat 184653-84-7|Carabersat|UNII-K9R83652CK https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047319
ERPathway2016 ERPathway2016_1354 Carabersat 184653-84-7 DTXSID6047319 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)C1=CC2=C(OC(C)(C)[C@H](O)[C@H]2NC(=O)C2=CC=C(F)C=C2)C=C1 Carabersat 184653-84-7|Carabersat|UNII-K9R83652CK https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047319
ERPathway2016 ERPathway2016_1354 Carabersat 184653-84-7 DTXSID6047319 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C1=CC2=C(OC(C)(C)[C@H](O)[C@H]2NC(=O)C2=CC=C(F)C=C2)C=C1 Carabersat 184653-84-7|Carabersat|UNII-K9R83652CK https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047319
ERPathway2016 ERPathway2016_1354 Carabersat 184653-84-7 DTXSID6047319 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)C1=CC2=C(OC(C)(C)[C@H](O)[C@H]2NC(=O)C2=CC=C(F)C=C2)C=C1 Carabersat 184653-84-7|Carabersat|UNII-K9R83652CK https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047319
ERPathway2016 ERPathway2016_1354 Carabersat 184653-84-7 DTXSID6047319 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)C1=CC2=C(OC(C)(C)[C@H](O)[C@H]2NC(=O)C2=CC=C(F)C=C2)C=C1 Carabersat 184653-84-7|Carabersat|UNII-K9R83652CK https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047319
ARPathway2016 ARPathway2016_1122 Carbamazepine 298-46-4 DTXSID4022731 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12 Carbamazepine 298-46-4|Carbamazepine|5-Carbamoyl-5H-dibenz(b,f)azepine|5-Carbamoyl-5H-dibenz[b,f]azepine|5-Carbamoyl-5H-dibenzo(b,f)azepine|5-Carbamyl-5H-dibenzo(b,f)azepine|5H-Dibenz(b,f)azepine-5-carboxamide|5H-Dibenzo [b,f] azepine-5-carboxamide|Amizepin|Bipotrol|BRN 1246090|Calepsin|Carbamazepen|Carbamazepin|carbamazepina|Carbamazepine|Carbamazepinum|Carbamezepine|Carbatrol|Carbatrol extended-release|Carbazepine|Carbelan|EINECS 206-062-7|Equetro|Finlepsin|Geigy 32883|Karbamazepin|Karbelex|Karberol|Neurotol|Neurotop|NSC 169864|Stazepine|Tegretal|Tegretol|Tegretol XR|Tegretol-XR|Telesmin|Timonil|UNII-33CM23913M|105234-21-7|121947-25-9|121985-71-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022731
ARPathway2016 ARPathway2016_1122 Carbamazepine 298-46-4 DTXSID4022731 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12 Carbamazepine 298-46-4|Carbamazepine|5-Carbamoyl-5H-dibenz(b,f)azepine|5-Carbamoyl-5H-dibenz[b,f]azepine|5-Carbamoyl-5H-dibenzo(b,f)azepine|5-Carbamyl-5H-dibenzo(b,f)azepine|5H-Dibenz(b,f)azepine-5-carboxamide|5H-Dibenzo [b,f] azepine-5-carboxamide|Amizepin|Bipotrol|BRN 1246090|Calepsin|Carbamazepen|Carbamazepin|carbamazepina|Carbamazepine|Carbamazepinum|Carbamezepine|Carbatrol|Carbatrol extended-release|Carbazepine|Carbelan|EINECS 206-062-7|Equetro|Finlepsin|Geigy 32883|Karbamazepin|Karbelex|Karberol|Neurotol|Neurotop|NSC 169864|Stazepine|Tegretal|Tegretol|Tegretol XR|Tegretol-XR|Telesmin|Timonil|UNII-33CM23913M|105234-21-7|121947-25-9|121985-71-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022731
ARPathway2016 ARPathway2016_1122 Carbamazepine 298-46-4 DTXSID4022731 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12 Carbamazepine 298-46-4|Carbamazepine|5-Carbamoyl-5H-dibenz(b,f)azepine|5-Carbamoyl-5H-dibenz[b,f]azepine|5-Carbamoyl-5H-dibenzo(b,f)azepine|5-Carbamyl-5H-dibenzo(b,f)azepine|5H-Dibenz(b,f)azepine-5-carboxamide|5H-Dibenzo [b,f] azepine-5-carboxamide|Amizepin|Bipotrol|BRN 1246090|Calepsin|Carbamazepen|Carbamazepin|carbamazepina|Carbamazepine|Carbamazepinum|Carbamezepine|Carbatrol|Carbatrol extended-release|Carbazepine|Carbelan|EINECS 206-062-7|Equetro|Finlepsin|Geigy 32883|Karbamazepin|Karbelex|Karberol|Neurotol|Neurotop|NSC 169864|Stazepine|Tegretal|Tegretol|Tegretol XR|Tegretol-XR|Telesmin|Timonil|UNII-33CM23913M|105234-21-7|121947-25-9|121985-71-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022731
ARPathway2016 ARPathway2016_1122 Carbamazepine 298-46-4 DTXSID4022731 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12 Carbamazepine 298-46-4|Carbamazepine|5-Carbamoyl-5H-dibenz(b,f)azepine|5-Carbamoyl-5H-dibenz[b,f]azepine|5-Carbamoyl-5H-dibenzo(b,f)azepine|5-Carbamyl-5H-dibenzo(b,f)azepine|5H-Dibenz(b,f)azepine-5-carboxamide|5H-Dibenzo [b,f] azepine-5-carboxamide|Amizepin|Bipotrol|BRN 1246090|Calepsin|Carbamazepen|Carbamazepin|carbamazepina|Carbamazepine|Carbamazepinum|Carbamezepine|Carbatrol|Carbatrol extended-release|Carbazepine|Carbelan|EINECS 206-062-7|Equetro|Finlepsin|Geigy 32883|Karbamazepin|Karbelex|Karberol|Neurotol|Neurotop|NSC 169864|Stazepine|Tegretal|Tegretol|Tegretol XR|Tegretol-XR|Telesmin|Timonil|UNII-33CM23913M|105234-21-7|121947-25-9|121985-71-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022731
ERPathway2016 ERPathway2016_927 Carbamazepine 298-46-4 DTXSID4022731 A13 ER Pathway Model, Agonist Model Score 0 Unitless NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12 Carbamazepine 298-46-4|Carbamazepine|5-Carbamoyl-5H-dibenz(b,f)azepine|5-Carbamoyl-5H-dibenz[b,f]azepine|5-Carbamoyl-5H-dibenzo(b,f)azepine|5-Carbamyl-5H-dibenzo(b,f)azepine|5H-Dibenz(b,f)azepine-5-carboxamide|5H-Dibenzo [b,f] azepine-5-carboxamide|Amizepin|Bipotrol|BRN 1246090|Calepsin|Carbamazepen|Carbamazepin|carbamazepina|Carbamazepine|Carbamazepinum|Carbamezepine|Carbatrol|Carbatrol extended-release|Carbazepine|Carbelan|EINECS 206-062-7|Equetro|Finlepsin|Geigy 32883|Karbamazepin|Karbelex|Karberol|Neurotol|Neurotop|NSC 169864|Stazepine|Tegretal|Tegretol|Tegretol XR|Tegretol-XR|Telesmin|Timonil|UNII-33CM23913M|105234-21-7|121947-25-9|121985-71-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022731
ERPathway2016 ERPathway2016_927 Carbamazepine 298-46-4 DTXSID4022731 A13 ER Pathway Model, Antagonist Model Score 0 Unitless NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12 Carbamazepine 298-46-4|Carbamazepine|5-Carbamoyl-5H-dibenz(b,f)azepine|5-Carbamoyl-5H-dibenz[b,f]azepine|5-Carbamoyl-5H-dibenzo(b,f)azepine|5-Carbamyl-5H-dibenzo(b,f)azepine|5H-Dibenz(b,f)azepine-5-carboxamide|5H-Dibenzo [b,f] azepine-5-carboxamide|Amizepin|Bipotrol|BRN 1246090|Calepsin|Carbamazepen|Carbamazepin|carbamazepina|Carbamazepine|Carbamazepinum|Carbamezepine|Carbatrol|Carbatrol extended-release|Carbazepine|Carbelan|EINECS 206-062-7|Equetro|Finlepsin|Geigy 32883|Karbamazepin|Karbelex|Karberol|Neurotol|Neurotop|NSC 169864|Stazepine|Tegretal|Tegretol|Tegretol XR|Tegretol-XR|Telesmin|Timonil|UNII-33CM23913M|105234-21-7|121947-25-9|121985-71-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022731
ERPathway2016 ERPathway2016_927 Carbamazepine 298-46-4 DTXSID4022731 A13 ER Pathway Model, Agonist Call Inactive Unitless NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12 Carbamazepine 298-46-4|Carbamazepine|5-Carbamoyl-5H-dibenz(b,f)azepine|5-Carbamoyl-5H-dibenz[b,f]azepine|5-Carbamoyl-5H-dibenzo(b,f)azepine|5-Carbamyl-5H-dibenzo(b,f)azepine|5H-Dibenz(b,f)azepine-5-carboxamide|5H-Dibenzo [b,f] azepine-5-carboxamide|Amizepin|Bipotrol|BRN 1246090|Calepsin|Carbamazepen|Carbamazepin|carbamazepina|Carbamazepine|Carbamazepinum|Carbamezepine|Carbatrol|Carbatrol extended-release|Carbazepine|Carbelan|EINECS 206-062-7|Equetro|Finlepsin|Geigy 32883|Karbamazepin|Karbelex|Karberol|Neurotol|Neurotop|NSC 169864|Stazepine|Tegretal|Tegretol|Tegretol XR|Tegretol-XR|Telesmin|Timonil|UNII-33CM23913M|105234-21-7|121947-25-9|121985-71-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022731
ERPathway2016 ERPathway2016_927 Carbamazepine 298-46-4 DTXSID4022731 A13 ER Pathway Model, Antagonist Call Inactive Unitless NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12 Carbamazepine 298-46-4|Carbamazepine|5-Carbamoyl-5H-dibenz(b,f)azepine|5-Carbamoyl-5H-dibenz[b,f]azepine|5-Carbamoyl-5H-dibenzo(b,f)azepine|5-Carbamyl-5H-dibenzo(b,f)azepine|5H-Dibenz(b,f)azepine-5-carboxamide|5H-Dibenzo [b,f] azepine-5-carboxamide|Amizepin|Bipotrol|BRN 1246090|Calepsin|Carbamazepen|Carbamazepin|carbamazepina|Carbamazepine|Carbamazepinum|Carbamezepine|Carbatrol|Carbatrol extended-release|Carbazepine|Carbelan|EINECS 206-062-7|Equetro|Finlepsin|Geigy 32883|Karbamazepin|Karbelex|Karberol|Neurotol|Neurotop|NSC 169864|Stazepine|Tegretal|Tegretol|Tegretol XR|Tegretol-XR|Telesmin|Timonil|UNII-33CM23913M|105234-21-7|121947-25-9|121985-71-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022731
ARPathway2016 ARPathway2016_1426 Carbaryl 63-25-2 DTXSID9020247 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)OC1=C2C=CC=CC2=CC=C1 Carbaryl 63-25-2|Carbaryl|1-Naftylester kyseliny methylkarbaminove|1-Naphthalenol methylcarbamate|1-Naphthalenol, 1-(N-methylcarbamate)|1-Naphthalenol, methylcarbamate|1-Naphthalenyl methylcarbamate|1-Naphthol N-methylcarbamate|1-Naphthyl methylcarbamate|1-Naphthyl N-methylcarbamate|1-Naphthyl-N-methyl-karbamat|1-Naphthyl-N-methylcarbamate|1-Napthyl methylcarbamate|Agrex S|alpha-Naftyl-N-methylkarbamat|alpha-Naphthalenyl methylcarbamate|alpha-Naphthyl methylcarbamate|alpha-Naphthyl N-methylcarbamate|Arilate|Bercema NMC50|BRN 1875862|Bug master|Caprolin|Carbamic acid, methyl-, 1-naphthyl ester|Carbamine|carbaril|Carbarilo|Carbarilum|Carbaryl|Carbaryl [1-Naphthalenol, methylcarbamate]|Carbatox|Carbatox 60|Carbatox 75|Carbatox-60|Carbatox-75|Carbavur|Carbomate|Carpolin|Carylderm|Caswell No. 160|Cekubaryl|Clean Crop Sevin 5 Bait|Clinicide|Compound 7744|Crag sevin|Denapon|Devicarb|Dicarbam|Dicarbam 50|Dicarbament 23,969|Dyna-carbyl|EINECS 200-555-0|EPA Pesticide Chemical Code 056801|Experimental Insecticide 7744|Garden Tech Sevin Lawn Inse|11095-11-7|11130-47-5|1392204-77-1|51274-03-4|52001-89-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020247 https://doi.org/10.22427/NTP-DATA-DTXSID9020247
ARPathway2016 ARPathway2016_1426 Carbaryl 63-25-2 DTXSID9020247 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CNC(=O)OC1=C2C=CC=CC2=CC=C1 Carbaryl 63-25-2|Carbaryl|1-Naftylester kyseliny methylkarbaminove|1-Naphthalenol methylcarbamate|1-Naphthalenol, 1-(N-methylcarbamate)|1-Naphthalenol, methylcarbamate|1-Naphthalenyl methylcarbamate|1-Naphthol N-methylcarbamate|1-Naphthyl methylcarbamate|1-Naphthyl N-methylcarbamate|1-Naphthyl-N-methyl-karbamat|1-Naphthyl-N-methylcarbamate|1-Napthyl methylcarbamate|Agrex S|alpha-Naftyl-N-methylkarbamat|alpha-Naphthalenyl methylcarbamate|alpha-Naphthyl methylcarbamate|alpha-Naphthyl N-methylcarbamate|Arilate|Bercema NMC50|BRN 1875862|Bug master|Caprolin|Carbamic acid, methyl-, 1-naphthyl ester|Carbamine|carbaril|Carbarilo|Carbarilum|Carbaryl|Carbaryl [1-Naphthalenol, methylcarbamate]|Carbatox|Carbatox 60|Carbatox 75|Carbatox-60|Carbatox-75|Carbavur|Carbomate|Carpolin|Carylderm|Caswell No. 160|Cekubaryl|Clean Crop Sevin 5 Bait|Clinicide|Compound 7744|Crag sevin|Denapon|Devicarb|Dicarbam|Dicarbam 50|Dicarbament 23,969|Dyna-carbyl|EINECS 200-555-0|EPA Pesticide Chemical Code 056801|Experimental Insecticide 7744|Garden Tech Sevin Lawn Inse|11095-11-7|11130-47-5|1392204-77-1|51274-03-4|52001-89-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020247 https://doi.org/10.22427/NTP-DATA-DTXSID9020247
ARPathway2016 ARPathway2016_1426 Carbaryl 63-25-2 DTXSID9020247 0.0 AR Pathway Model, Agonist Call Inactive Unitless CNC(=O)OC1=C2C=CC=CC2=CC=C1 Carbaryl 63-25-2|Carbaryl|1-Naftylester kyseliny methylkarbaminove|1-Naphthalenol methylcarbamate|1-Naphthalenol, 1-(N-methylcarbamate)|1-Naphthalenol, methylcarbamate|1-Naphthalenyl methylcarbamate|1-Naphthol N-methylcarbamate|1-Naphthyl methylcarbamate|1-Naphthyl N-methylcarbamate|1-Naphthyl-N-methyl-karbamat|1-Naphthyl-N-methylcarbamate|1-Napthyl methylcarbamate|Agrex S|alpha-Naftyl-N-methylkarbamat|alpha-Naphthalenyl methylcarbamate|alpha-Naphthyl methylcarbamate|alpha-Naphthyl N-methylcarbamate|Arilate|Bercema NMC50|BRN 1875862|Bug master|Caprolin|Carbamic acid, methyl-, 1-naphthyl ester|Carbamine|carbaril|Carbarilo|Carbarilum|Carbaryl|Carbaryl [1-Naphthalenol, methylcarbamate]|Carbatox|Carbatox 60|Carbatox 75|Carbatox-60|Carbatox-75|Carbavur|Carbomate|Carpolin|Carylderm|Caswell No. 160|Cekubaryl|Clean Crop Sevin 5 Bait|Clinicide|Compound 7744|Crag sevin|Denapon|Devicarb|Dicarbam|Dicarbam 50|Dicarbament 23,969|Dyna-carbyl|EINECS 200-555-0|EPA Pesticide Chemical Code 056801|Experimental Insecticide 7744|Garden Tech Sevin Lawn Inse|11095-11-7|11130-47-5|1392204-77-1|51274-03-4|52001-89-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020247 https://doi.org/10.22427/NTP-DATA-DTXSID9020247
ARPathway2016 ARPathway2016_1426 Carbaryl 63-25-2 DTXSID9020247 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CNC(=O)OC1=C2C=CC=CC2=CC=C1 Carbaryl 63-25-2|Carbaryl|1-Naftylester kyseliny methylkarbaminove|1-Naphthalenol methylcarbamate|1-Naphthalenol, 1-(N-methylcarbamate)|1-Naphthalenol, methylcarbamate|1-Naphthalenyl methylcarbamate|1-Naphthol N-methylcarbamate|1-Naphthyl methylcarbamate|1-Naphthyl N-methylcarbamate|1-Naphthyl-N-methyl-karbamat|1-Naphthyl-N-methylcarbamate|1-Napthyl methylcarbamate|Agrex S|alpha-Naftyl-N-methylkarbamat|alpha-Naphthalenyl methylcarbamate|alpha-Naphthyl methylcarbamate|alpha-Naphthyl N-methylcarbamate|Arilate|Bercema NMC50|BRN 1875862|Bug master|Caprolin|Carbamic acid, methyl-, 1-naphthyl ester|Carbamine|carbaril|Carbarilo|Carbarilum|Carbaryl|Carbaryl [1-Naphthalenol, methylcarbamate]|Carbatox|Carbatox 60|Carbatox 75|Carbatox-60|Carbatox-75|Carbavur|Carbomate|Carpolin|Carylderm|Caswell No. 160|Cekubaryl|Clean Crop Sevin 5 Bait|Clinicide|Compound 7744|Crag sevin|Denapon|Devicarb|Dicarbam|Dicarbam 50|Dicarbament 23,969|Dyna-carbyl|EINECS 200-555-0|EPA Pesticide Chemical Code 056801|Experimental Insecticide 7744|Garden Tech Sevin Lawn Inse|11095-11-7|11130-47-5|1392204-77-1|51274-03-4|52001-89-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020247 https://doi.org/10.22427/NTP-DATA-DTXSID9020247
ERPathway2016 ERPathway2016_407 Carbaryl 63-25-2 DTXSID9020247 ER Pathway Model, Antagonist AC50 30.3687517129702 uM CNC(=O)OC1=C2C=CC=CC2=CC=C1 Carbaryl 63-25-2|Carbaryl|1-Naftylester kyseliny methylkarbaminove|1-Naphthalenol methylcarbamate|1-Naphthalenol, 1-(N-methylcarbamate)|1-Naphthalenol, methylcarbamate|1-Naphthalenyl methylcarbamate|1-Naphthol N-methylcarbamate|1-Naphthyl methylcarbamate|1-Naphthyl N-methylcarbamate|1-Naphthyl-N-methyl-karbamat|1-Naphthyl-N-methylcarbamate|1-Napthyl methylcarbamate|Agrex S|alpha-Naftyl-N-methylkarbamat|alpha-Naphthalenyl methylcarbamate|alpha-Naphthyl methylcarbamate|alpha-Naphthyl N-methylcarbamate|Arilate|Bercema NMC50|BRN 1875862|Bug master|Caprolin|Carbamic acid, methyl-, 1-naphthyl ester|Carbamine|carbaril|Carbarilo|Carbarilum|Carbaryl|Carbaryl [1-Naphthalenol, methylcarbamate]|Carbatox|Carbatox 60|Carbatox 75|Carbatox-60|Carbatox-75|Carbavur|Carbomate|Carpolin|Carylderm|Caswell No. 160|Cekubaryl|Clean Crop Sevin 5 Bait|Clinicide|Compound 7744|Crag sevin|Denapon|Devicarb|Dicarbam|Dicarbam 50|Dicarbament 23,969|Dyna-carbyl|EINECS 200-555-0|EPA Pesticide Chemical Code 056801|Experimental Insecticide 7744|Garden Tech Sevin Lawn Inse|11095-11-7|11130-47-5|1392204-77-1|51274-03-4|52001-89-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020247 https://doi.org/10.22427/NTP-DATA-DTXSID9020247
ERPathway2016 ERPathway2016_407 Carbaryl 63-25-2 DTXSID9020247 ER Pathway Model, Antagonist ACC 28.4915538245864 uM CNC(=O)OC1=C2C=CC=CC2=CC=C1 Carbaryl 63-25-2|Carbaryl|1-Naftylester kyseliny methylkarbaminove|1-Naphthalenol methylcarbamate|1-Naphthalenol, 1-(N-methylcarbamate)|1-Naphthalenol, methylcarbamate|1-Naphthalenyl methylcarbamate|1-Naphthol N-methylcarbamate|1-Naphthyl methylcarbamate|1-Naphthyl N-methylcarbamate|1-Naphthyl-N-methyl-karbamat|1-Naphthyl-N-methylcarbamate|1-Napthyl methylcarbamate|Agrex S|alpha-Naftyl-N-methylkarbamat|alpha-Naphthalenyl methylcarbamate|alpha-Naphthyl methylcarbamate|alpha-Naphthyl N-methylcarbamate|Arilate|Bercema NMC50|BRN 1875862|Bug master|Caprolin|Carbamic acid, methyl-, 1-naphthyl ester|Carbamine|carbaril|Carbarilo|Carbarilum|Carbaryl|Carbaryl [1-Naphthalenol, methylcarbamate]|Carbatox|Carbatox 60|Carbatox 75|Carbatox-60|Carbatox-75|Carbavur|Carbomate|Carpolin|Carylderm|Caswell No. 160|Cekubaryl|Clean Crop Sevin 5 Bait|Clinicide|Compound 7744|Crag sevin|Denapon|Devicarb|Dicarbam|Dicarbam 50|Dicarbament 23,969|Dyna-carbyl|EINECS 200-555-0|EPA Pesticide Chemical Code 056801|Experimental Insecticide 7744|Garden Tech Sevin Lawn Inse|11095-11-7|11130-47-5|1392204-77-1|51274-03-4|52001-89-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020247 https://doi.org/10.22427/NTP-DATA-DTXSID9020247
ERPathway2016 ERPathway2016_407 Carbaryl 63-25-2 DTXSID9020247 ER Pathway Model, Agonist Model Score 0.00877 Unitless CNC(=O)OC1=C2C=CC=CC2=CC=C1 Carbaryl 63-25-2|Carbaryl|1-Naftylester kyseliny methylkarbaminove|1-Naphthalenol methylcarbamate|1-Naphthalenol, 1-(N-methylcarbamate)|1-Naphthalenol, methylcarbamate|1-Naphthalenyl methylcarbamate|1-Naphthol N-methylcarbamate|1-Naphthyl methylcarbamate|1-Naphthyl N-methylcarbamate|1-Naphthyl-N-methyl-karbamat|1-Naphthyl-N-methylcarbamate|1-Napthyl methylcarbamate|Agrex S|alpha-Naftyl-N-methylkarbamat|alpha-Naphthalenyl methylcarbamate|alpha-Naphthyl methylcarbamate|alpha-Naphthyl N-methylcarbamate|Arilate|Bercema NMC50|BRN 1875862|Bug master|Caprolin|Carbamic acid, methyl-, 1-naphthyl ester|Carbamine|carbaril|Carbarilo|Carbarilum|Carbaryl|Carbaryl [1-Naphthalenol, methylcarbamate]|Carbatox|Carbatox 60|Carbatox 75|Carbatox-60|Carbatox-75|Carbavur|Carbomate|Carpolin|Carylderm|Caswell No. 160|Cekubaryl|Clean Crop Sevin 5 Bait|Clinicide|Compound 7744|Crag sevin|Denapon|Devicarb|Dicarbam|Dicarbam 50|Dicarbament 23,969|Dyna-carbyl|EINECS 200-555-0|EPA Pesticide Chemical Code 056801|Experimental Insecticide 7744|Garden Tech Sevin Lawn Inse|11095-11-7|11130-47-5|1392204-77-1|51274-03-4|52001-89-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020247 https://doi.org/10.22427/NTP-DATA-DTXSID9020247
ERPathway2016 ERPathway2016_407 Carbaryl 63-25-2 DTXSID9020247 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)OC1=C2C=CC=CC2=CC=C1 Carbaryl 63-25-2|Carbaryl|1-Naftylester kyseliny methylkarbaminove|1-Naphthalenol methylcarbamate|1-Naphthalenol, 1-(N-methylcarbamate)|1-Naphthalenol, methylcarbamate|1-Naphthalenyl methylcarbamate|1-Naphthol N-methylcarbamate|1-Naphthyl methylcarbamate|1-Naphthyl N-methylcarbamate|1-Naphthyl-N-methyl-karbamat|1-Naphthyl-N-methylcarbamate|1-Napthyl methylcarbamate|Agrex S|alpha-Naftyl-N-methylkarbamat|alpha-Naphthalenyl methylcarbamate|alpha-Naphthyl methylcarbamate|alpha-Naphthyl N-methylcarbamate|Arilate|Bercema NMC50|BRN 1875862|Bug master|Caprolin|Carbamic acid, methyl-, 1-naphthyl ester|Carbamine|carbaril|Carbarilo|Carbarilum|Carbaryl|Carbaryl [1-Naphthalenol, methylcarbamate]|Carbatox|Carbatox 60|Carbatox 75|Carbatox-60|Carbatox-75|Carbavur|Carbomate|Carpolin|Carylderm|Caswell No. 160|Cekubaryl|Clean Crop Sevin 5 Bait|Clinicide|Compound 7744|Crag sevin|Denapon|Devicarb|Dicarbam|Dicarbam 50|Dicarbament 23,969|Dyna-carbyl|EINECS 200-555-0|EPA Pesticide Chemical Code 056801|Experimental Insecticide 7744|Garden Tech Sevin Lawn Inse|11095-11-7|11130-47-5|1392204-77-1|51274-03-4|52001-89-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020247 https://doi.org/10.22427/NTP-DATA-DTXSID9020247
ERPathway2016 ERPathway2016_407 Carbaryl 63-25-2 DTXSID9020247 ER Pathway Model, Agonist Call Inactive Unitless CNC(=O)OC1=C2C=CC=CC2=CC=C1 Carbaryl 63-25-2|Carbaryl|1-Naftylester kyseliny methylkarbaminove|1-Naphthalenol methylcarbamate|1-Naphthalenol, 1-(N-methylcarbamate)|1-Naphthalenol, methylcarbamate|1-Naphthalenyl methylcarbamate|1-Naphthol N-methylcarbamate|1-Naphthyl methylcarbamate|1-Naphthyl N-methylcarbamate|1-Naphthyl-N-methyl-karbamat|1-Naphthyl-N-methylcarbamate|1-Napthyl methylcarbamate|Agrex S|alpha-Naftyl-N-methylkarbamat|alpha-Naphthalenyl methylcarbamate|alpha-Naphthyl methylcarbamate|alpha-Naphthyl N-methylcarbamate|Arilate|Bercema NMC50|BRN 1875862|Bug master|Caprolin|Carbamic acid, methyl-, 1-naphthyl ester|Carbamine|carbaril|Carbarilo|Carbarilum|Carbaryl|Carbaryl [1-Naphthalenol, methylcarbamate]|Carbatox|Carbatox 60|Carbatox 75|Carbatox-60|Carbatox-75|Carbavur|Carbomate|Carpolin|Carylderm|Caswell No. 160|Cekubaryl|Clean Crop Sevin 5 Bait|Clinicide|Compound 7744|Crag sevin|Denapon|Devicarb|Dicarbam|Dicarbam 50|Dicarbament 23,969|Dyna-carbyl|EINECS 200-555-0|EPA Pesticide Chemical Code 056801|Experimental Insecticide 7744|Garden Tech Sevin Lawn Inse|11095-11-7|11130-47-5|1392204-77-1|51274-03-4|52001-89-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020247 https://doi.org/10.22427/NTP-DATA-DTXSID9020247
ERPathway2016 ERPathway2016_407 Carbaryl 63-25-2 DTXSID9020247 ER Pathway Model, Antagonist Call Active Unitless CNC(=O)OC1=C2C=CC=CC2=CC=C1 Carbaryl 63-25-2|Carbaryl|1-Naftylester kyseliny methylkarbaminove|1-Naphthalenol methylcarbamate|1-Naphthalenol, 1-(N-methylcarbamate)|1-Naphthalenol, methylcarbamate|1-Naphthalenyl methylcarbamate|1-Naphthol N-methylcarbamate|1-Naphthyl methylcarbamate|1-Naphthyl N-methylcarbamate|1-Naphthyl-N-methyl-karbamat|1-Naphthyl-N-methylcarbamate|1-Napthyl methylcarbamate|Agrex S|alpha-Naftyl-N-methylkarbamat|alpha-Naphthalenyl methylcarbamate|alpha-Naphthyl methylcarbamate|alpha-Naphthyl N-methylcarbamate|Arilate|Bercema NMC50|BRN 1875862|Bug master|Caprolin|Carbamic acid, methyl-, 1-naphthyl ester|Carbamine|carbaril|Carbarilo|Carbarilum|Carbaryl|Carbaryl [1-Naphthalenol, methylcarbamate]|Carbatox|Carbatox 60|Carbatox 75|Carbatox-60|Carbatox-75|Carbavur|Carbomate|Carpolin|Carylderm|Caswell No. 160|Cekubaryl|Clean Crop Sevin 5 Bait|Clinicide|Compound 7744|Crag sevin|Denapon|Devicarb|Dicarbam|Dicarbam 50|Dicarbament 23,969|Dyna-carbyl|EINECS 200-555-0|EPA Pesticide Chemical Code 056801|Experimental Insecticide 7744|Garden Tech Sevin Lawn Inse|11095-11-7|11130-47-5|1392204-77-1|51274-03-4|52001-89-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020247 https://doi.org/10.22427/NTP-DATA-DTXSID9020247
ARPathway2016 ARPathway2016_464 Carbendazim 10605-21-7 DTXSID4024729 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)NC1=NC2=CC=CC=C2N1 Carbendazim 10605-21-7|Carbendazim|1H-Benzimidazol-2-ylcarbamic acid methyl ester|1H-Benzimidazole-2-carbamic acid, methyl ester|2-(Carbomethoxyamino)benzimidazole|2-(Methoxy-carbonylamino)-benzimidazol|2-(Methoxycarbamoyl)benzimidazole|2-(methoxycarbonylamino)-benzimidazole|2-(methoxycarbonylamino)benzimidazole|2-(Methoxycarboxamido)benzimidazole|2-[(Methoxycarbonyl)amino]benzimidazole|2-benzimidazolecarbamic acid methyl ester|2-Benzimidazolecarbamic acid, methyl ester|2-CARBOMETHOXYAMINO-BENZIMIDAZOLE|2-Methoxycarbonylamino-benzimidazole|Agrizim|Aimcozim|Antibac MF|Bavistan|Bavistin|Bavistin 25SD|Bavistin 3460|Bavistin 50SD|Bavistin FL|Bavistine|Bendazim|Bengard|Benzimidazole carbamate de methyle|Benzimidazole-2-carbamic acid, methyl ester|Benzimidazolecarbamic|Bercema-Bitosen|Bitosen|BMC|BMK (VAN)|CARBAMATE, 1H-BENZIMIDAZOL-2-YL-, METHYL|Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester|Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester|Carbate|Carben VL|Carbendazime|carbendazina|Carbendazine|Carbendazol|Carbendazole|Carbendazym|Carbendo|102040-01-7|105268-95-9|110342-67-1|1135441-26-7|1155875-94-7|1203557-88-3|212384-28-6|276680-08-1|39413-19-9|59758-95-1|63090-40-4|63278-70-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024729 https://doi.org/10.22427/NTP-DATA-DTXSID4024729
ARPathway2016 ARPathway2016_464 Carbendazim 10605-21-7 DTXSID4024729 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)NC1=NC2=CC=CC=C2N1 Carbendazim 10605-21-7|Carbendazim|1H-Benzimidazol-2-ylcarbamic acid methyl ester|1H-Benzimidazole-2-carbamic acid, methyl ester|2-(Carbomethoxyamino)benzimidazole|2-(Methoxy-carbonylamino)-benzimidazol|2-(Methoxycarbamoyl)benzimidazole|2-(methoxycarbonylamino)-benzimidazole|2-(methoxycarbonylamino)benzimidazole|2-(Methoxycarboxamido)benzimidazole|2-[(Methoxycarbonyl)amino]benzimidazole|2-benzimidazolecarbamic acid methyl ester|2-Benzimidazolecarbamic acid, methyl ester|2-CARBOMETHOXYAMINO-BENZIMIDAZOLE|2-Methoxycarbonylamino-benzimidazole|Agrizim|Aimcozim|Antibac MF|Bavistan|Bavistin|Bavistin 25SD|Bavistin 3460|Bavistin 50SD|Bavistin FL|Bavistine|Bendazim|Bengard|Benzimidazole carbamate de methyle|Benzimidazole-2-carbamic acid, methyl ester|Benzimidazolecarbamic|Bercema-Bitosen|Bitosen|BMC|BMK (VAN)|CARBAMATE, 1H-BENZIMIDAZOL-2-YL-, METHYL|Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester|Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester|Carbate|Carben VL|Carbendazime|carbendazina|Carbendazine|Carbendazol|Carbendazole|Carbendazym|Carbendo|102040-01-7|105268-95-9|110342-67-1|1135441-26-7|1155875-94-7|1203557-88-3|212384-28-6|276680-08-1|39413-19-9|59758-95-1|63090-40-4|63278-70-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024729 https://doi.org/10.22427/NTP-DATA-DTXSID4024729
ARPathway2016 ARPathway2016_464 Carbendazim 10605-21-7 DTXSID4024729 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)NC1=NC2=CC=CC=C2N1 Carbendazim 10605-21-7|Carbendazim|1H-Benzimidazol-2-ylcarbamic acid methyl ester|1H-Benzimidazole-2-carbamic acid, methyl ester|2-(Carbomethoxyamino)benzimidazole|2-(Methoxy-carbonylamino)-benzimidazol|2-(Methoxycarbamoyl)benzimidazole|2-(methoxycarbonylamino)-benzimidazole|2-(methoxycarbonylamino)benzimidazole|2-(Methoxycarboxamido)benzimidazole|2-[(Methoxycarbonyl)amino]benzimidazole|2-benzimidazolecarbamic acid methyl ester|2-Benzimidazolecarbamic acid, methyl ester|2-CARBOMETHOXYAMINO-BENZIMIDAZOLE|2-Methoxycarbonylamino-benzimidazole|Agrizim|Aimcozim|Antibac MF|Bavistan|Bavistin|Bavistin 25SD|Bavistin 3460|Bavistin 50SD|Bavistin FL|Bavistine|Bendazim|Bengard|Benzimidazole carbamate de methyle|Benzimidazole-2-carbamic acid, methyl ester|Benzimidazolecarbamic|Bercema-Bitosen|Bitosen|BMC|BMK (VAN)|CARBAMATE, 1H-BENZIMIDAZOL-2-YL-, METHYL|Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester|Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester|Carbate|Carben VL|Carbendazime|carbendazina|Carbendazine|Carbendazol|Carbendazole|Carbendazym|Carbendo|102040-01-7|105268-95-9|110342-67-1|1135441-26-7|1155875-94-7|1203557-88-3|212384-28-6|276680-08-1|39413-19-9|59758-95-1|63090-40-4|63278-70-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024729 https://doi.org/10.22427/NTP-DATA-DTXSID4024729
ARPathway2016 ARPathway2016_464 Carbendazim 10605-21-7 DTXSID4024729 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)NC1=NC2=CC=CC=C2N1 Carbendazim 10605-21-7|Carbendazim|1H-Benzimidazol-2-ylcarbamic acid methyl ester|1H-Benzimidazole-2-carbamic acid, methyl ester|2-(Carbomethoxyamino)benzimidazole|2-(Methoxy-carbonylamino)-benzimidazol|2-(Methoxycarbamoyl)benzimidazole|2-(methoxycarbonylamino)-benzimidazole|2-(methoxycarbonylamino)benzimidazole|2-(Methoxycarboxamido)benzimidazole|2-[(Methoxycarbonyl)amino]benzimidazole|2-benzimidazolecarbamic acid methyl ester|2-Benzimidazolecarbamic acid, methyl ester|2-CARBOMETHOXYAMINO-BENZIMIDAZOLE|2-Methoxycarbonylamino-benzimidazole|Agrizim|Aimcozim|Antibac MF|Bavistan|Bavistin|Bavistin 25SD|Bavistin 3460|Bavistin 50SD|Bavistin FL|Bavistine|Bendazim|Bengard|Benzimidazole carbamate de methyle|Benzimidazole-2-carbamic acid, methyl ester|Benzimidazolecarbamic|Bercema-Bitosen|Bitosen|BMC|BMK (VAN)|CARBAMATE, 1H-BENZIMIDAZOL-2-YL-, METHYL|Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester|Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester|Carbate|Carben VL|Carbendazime|carbendazina|Carbendazine|Carbendazol|Carbendazole|Carbendazym|Carbendo|102040-01-7|105268-95-9|110342-67-1|1135441-26-7|1155875-94-7|1203557-88-3|212384-28-6|276680-08-1|39413-19-9|59758-95-1|63090-40-4|63278-70-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024729 https://doi.org/10.22427/NTP-DATA-DTXSID4024729
ERPathway2016 ERPathway2016_904 Carbendazim 10605-21-7 DTXSID4024729 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)NC1=NC2=CC=CC=C2N1 Carbendazim 10605-21-7|Carbendazim|1H-Benzimidazol-2-ylcarbamic acid methyl ester|1H-Benzimidazole-2-carbamic acid, methyl ester|2-(Carbomethoxyamino)benzimidazole|2-(Methoxy-carbonylamino)-benzimidazol|2-(Methoxycarbamoyl)benzimidazole|2-(methoxycarbonylamino)-benzimidazole|2-(methoxycarbonylamino)benzimidazole|2-(Methoxycarboxamido)benzimidazole|2-[(Methoxycarbonyl)amino]benzimidazole|2-benzimidazolecarbamic acid methyl ester|2-Benzimidazolecarbamic acid, methyl ester|2-CARBOMETHOXYAMINO-BENZIMIDAZOLE|2-Methoxycarbonylamino-benzimidazole|Agrizim|Aimcozim|Antibac MF|Bavistan|Bavistin|Bavistin 25SD|Bavistin 3460|Bavistin 50SD|Bavistin FL|Bavistine|Bendazim|Bengard|Benzimidazole carbamate de methyle|Benzimidazole-2-carbamic acid, methyl ester|Benzimidazolecarbamic|Bercema-Bitosen|Bitosen|BMC|BMK (VAN)|CARBAMATE, 1H-BENZIMIDAZOL-2-YL-, METHYL|Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester|Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester|Carbate|Carben VL|Carbendazime|carbendazina|Carbendazine|Carbendazol|Carbendazole|Carbendazym|Carbendo|102040-01-7|105268-95-9|110342-67-1|1135441-26-7|1155875-94-7|1203557-88-3|212384-28-6|276680-08-1|39413-19-9|59758-95-1|63090-40-4|63278-70-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024729 https://doi.org/10.22427/NTP-DATA-DTXSID4024729
ERPathway2016 ERPathway2016_904 Carbendazim 10605-21-7 DTXSID4024729 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)NC1=NC2=CC=CC=C2N1 Carbendazim 10605-21-7|Carbendazim|1H-Benzimidazol-2-ylcarbamic acid methyl ester|1H-Benzimidazole-2-carbamic acid, methyl ester|2-(Carbomethoxyamino)benzimidazole|2-(Methoxy-carbonylamino)-benzimidazol|2-(Methoxycarbamoyl)benzimidazole|2-(methoxycarbonylamino)-benzimidazole|2-(methoxycarbonylamino)benzimidazole|2-(Methoxycarboxamido)benzimidazole|2-[(Methoxycarbonyl)amino]benzimidazole|2-benzimidazolecarbamic acid methyl ester|2-Benzimidazolecarbamic acid, methyl ester|2-CARBOMETHOXYAMINO-BENZIMIDAZOLE|2-Methoxycarbonylamino-benzimidazole|Agrizim|Aimcozim|Antibac MF|Bavistan|Bavistin|Bavistin 25SD|Bavistin 3460|Bavistin 50SD|Bavistin FL|Bavistine|Bendazim|Bengard|Benzimidazole carbamate de methyle|Benzimidazole-2-carbamic acid, methyl ester|Benzimidazolecarbamic|Bercema-Bitosen|Bitosen|BMC|BMK (VAN)|CARBAMATE, 1H-BENZIMIDAZOL-2-YL-, METHYL|Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester|Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester|Carbate|Carben VL|Carbendazime|carbendazina|Carbendazine|Carbendazol|Carbendazole|Carbendazym|Carbendo|102040-01-7|105268-95-9|110342-67-1|1135441-26-7|1155875-94-7|1203557-88-3|212384-28-6|276680-08-1|39413-19-9|59758-95-1|63090-40-4|63278-70-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024729 https://doi.org/10.22427/NTP-DATA-DTXSID4024729
ERPathway2016 ERPathway2016_904 Carbendazim 10605-21-7 DTXSID4024729 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)NC1=NC2=CC=CC=C2N1 Carbendazim 10605-21-7|Carbendazim|1H-Benzimidazol-2-ylcarbamic acid methyl ester|1H-Benzimidazole-2-carbamic acid, methyl ester|2-(Carbomethoxyamino)benzimidazole|2-(Methoxy-carbonylamino)-benzimidazol|2-(Methoxycarbamoyl)benzimidazole|2-(methoxycarbonylamino)-benzimidazole|2-(methoxycarbonylamino)benzimidazole|2-(Methoxycarboxamido)benzimidazole|2-[(Methoxycarbonyl)amino]benzimidazole|2-benzimidazolecarbamic acid methyl ester|2-Benzimidazolecarbamic acid, methyl ester|2-CARBOMETHOXYAMINO-BENZIMIDAZOLE|2-Methoxycarbonylamino-benzimidazole|Agrizim|Aimcozim|Antibac MF|Bavistan|Bavistin|Bavistin 25SD|Bavistin 3460|Bavistin 50SD|Bavistin FL|Bavistine|Bendazim|Bengard|Benzimidazole carbamate de methyle|Benzimidazole-2-carbamic acid, methyl ester|Benzimidazolecarbamic|Bercema-Bitosen|Bitosen|BMC|BMK (VAN)|CARBAMATE, 1H-BENZIMIDAZOL-2-YL-, METHYL|Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester|Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester|Carbate|Carben VL|Carbendazime|carbendazina|Carbendazine|Carbendazol|Carbendazole|Carbendazym|Carbendo|102040-01-7|105268-95-9|110342-67-1|1135441-26-7|1155875-94-7|1203557-88-3|212384-28-6|276680-08-1|39413-19-9|59758-95-1|63090-40-4|63278-70-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024729 https://doi.org/10.22427/NTP-DATA-DTXSID4024729
ERPathway2016 ERPathway2016_904 Carbendazim 10605-21-7 DTXSID4024729 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)NC1=NC2=CC=CC=C2N1 Carbendazim 10605-21-7|Carbendazim|1H-Benzimidazol-2-ylcarbamic acid methyl ester|1H-Benzimidazole-2-carbamic acid, methyl ester|2-(Carbomethoxyamino)benzimidazole|2-(Methoxy-carbonylamino)-benzimidazol|2-(Methoxycarbamoyl)benzimidazole|2-(methoxycarbonylamino)-benzimidazole|2-(methoxycarbonylamino)benzimidazole|2-(Methoxycarboxamido)benzimidazole|2-[(Methoxycarbonyl)amino]benzimidazole|2-benzimidazolecarbamic acid methyl ester|2-Benzimidazolecarbamic acid, methyl ester|2-CARBOMETHOXYAMINO-BENZIMIDAZOLE|2-Methoxycarbonylamino-benzimidazole|Agrizim|Aimcozim|Antibac MF|Bavistan|Bavistin|Bavistin 25SD|Bavistin 3460|Bavistin 50SD|Bavistin FL|Bavistine|Bendazim|Bengard|Benzimidazole carbamate de methyle|Benzimidazole-2-carbamic acid, methyl ester|Benzimidazolecarbamic|Bercema-Bitosen|Bitosen|BMC|BMK (VAN)|CARBAMATE, 1H-BENZIMIDAZOL-2-YL-, METHYL|Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester|Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester|Carbate|Carben VL|Carbendazime|carbendazina|Carbendazine|Carbendazol|Carbendazole|Carbendazym|Carbendo|102040-01-7|105268-95-9|110342-67-1|1135441-26-7|1155875-94-7|1203557-88-3|212384-28-6|276680-08-1|39413-19-9|59758-95-1|63090-40-4|63278-70-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024729 https://doi.org/10.22427/NTP-DATA-DTXSID4024729
ARPathway2016 ARPathway2016_898 Carbofuran 1563-66-2 DTXSID9020249 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)OC1=CC=CC2=C1OC(C)(C)C2 Carbofuran 1563-66-2|Carbofuran|2,2-Dimethyl-2,3-dihydro-7-benzofuranyl N-methylcarbamate|2,2-Dimethyl-2,3-dihydro-7-benzofuranyl-N-methylcarbamate|2,2-Dimethyl-7-coumaranyl N-methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranol methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl N-methylcarbamate|2,3-Dihydro-2,2-dimethylbenzofuran-7-yl methylcarbamate|2,3-Dihydro-2,2-dimethylbenzofuranyl-7-N-methylcarbamate|5-17-04-00048|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, 7-(N-methylcarbamate)|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate|Bayer 70143|BRN 1428746|Carbamic acid, methyl-, 2,2-dimethyl-2,3-dihydrobenzofuran-7-yl ester|Carbamic acid, methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester|Carbofuran [ANSI:BSI:ISO]|Carbofurane|Caswell No. 160A|Chinufur|Crisfuran|Curaterr|Diafuran|Diafuran 5G|EINECS 216-353-0|EPA Pesticide Chemical Code 090601|Furacarb|Furadan|Furadan 350S|Furadan 75WP|Furadan F|Furadan G|Furadan SP 50|Karbofuranu|Kenofuran|Methyl carbamic acid 2,3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020249
ARPathway2016 ARPathway2016_898 Carbofuran 1563-66-2 DTXSID9020249 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CNC(=O)OC1=CC=CC2=C1OC(C)(C)C2 Carbofuran 1563-66-2|Carbofuran|2,2-Dimethyl-2,3-dihydro-7-benzofuranyl N-methylcarbamate|2,2-Dimethyl-2,3-dihydro-7-benzofuranyl-N-methylcarbamate|2,2-Dimethyl-7-coumaranyl N-methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranol methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl N-methylcarbamate|2,3-Dihydro-2,2-dimethylbenzofuran-7-yl methylcarbamate|2,3-Dihydro-2,2-dimethylbenzofuranyl-7-N-methylcarbamate|5-17-04-00048|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, 7-(N-methylcarbamate)|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate|Bayer 70143|BRN 1428746|Carbamic acid, methyl-, 2,2-dimethyl-2,3-dihydrobenzofuran-7-yl ester|Carbamic acid, methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester|Carbofuran [ANSI:BSI:ISO]|Carbofurane|Caswell No. 160A|Chinufur|Crisfuran|Curaterr|Diafuran|Diafuran 5G|EINECS 216-353-0|EPA Pesticide Chemical Code 090601|Furacarb|Furadan|Furadan 350S|Furadan 75WP|Furadan F|Furadan G|Furadan SP 50|Karbofuranu|Kenofuran|Methyl carbamic acid 2,3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020249
ARPathway2016 ARPathway2016_898 Carbofuran 1563-66-2 DTXSID9020249 0.0 AR Pathway Model, Agonist Call Inactive Unitless CNC(=O)OC1=CC=CC2=C1OC(C)(C)C2 Carbofuran 1563-66-2|Carbofuran|2,2-Dimethyl-2,3-dihydro-7-benzofuranyl N-methylcarbamate|2,2-Dimethyl-2,3-dihydro-7-benzofuranyl-N-methylcarbamate|2,2-Dimethyl-7-coumaranyl N-methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranol methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl N-methylcarbamate|2,3-Dihydro-2,2-dimethylbenzofuran-7-yl methylcarbamate|2,3-Dihydro-2,2-dimethylbenzofuranyl-7-N-methylcarbamate|5-17-04-00048|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, 7-(N-methylcarbamate)|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate|Bayer 70143|BRN 1428746|Carbamic acid, methyl-, 2,2-dimethyl-2,3-dihydrobenzofuran-7-yl ester|Carbamic acid, methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester|Carbofuran [ANSI:BSI:ISO]|Carbofurane|Caswell No. 160A|Chinufur|Crisfuran|Curaterr|Diafuran|Diafuran 5G|EINECS 216-353-0|EPA Pesticide Chemical Code 090601|Furacarb|Furadan|Furadan 350S|Furadan 75WP|Furadan F|Furadan G|Furadan SP 50|Karbofuranu|Kenofuran|Methyl carbamic acid 2,3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020249
ARPathway2016 ARPathway2016_898 Carbofuran 1563-66-2 DTXSID9020249 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CNC(=O)OC1=CC=CC2=C1OC(C)(C)C2 Carbofuran 1563-66-2|Carbofuran|2,2-Dimethyl-2,3-dihydro-7-benzofuranyl N-methylcarbamate|2,2-Dimethyl-2,3-dihydro-7-benzofuranyl-N-methylcarbamate|2,2-Dimethyl-7-coumaranyl N-methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranol methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl N-methylcarbamate|2,3-Dihydro-2,2-dimethylbenzofuran-7-yl methylcarbamate|2,3-Dihydro-2,2-dimethylbenzofuranyl-7-N-methylcarbamate|5-17-04-00048|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, 7-(N-methylcarbamate)|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate|Bayer 70143|BRN 1428746|Carbamic acid, methyl-, 2,2-dimethyl-2,3-dihydrobenzofuran-7-yl ester|Carbamic acid, methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester|Carbofuran [ANSI:BSI:ISO]|Carbofurane|Caswell No. 160A|Chinufur|Crisfuran|Curaterr|Diafuran|Diafuran 5G|EINECS 216-353-0|EPA Pesticide Chemical Code 090601|Furacarb|Furadan|Furadan 350S|Furadan 75WP|Furadan F|Furadan G|Furadan SP 50|Karbofuranu|Kenofuran|Methyl carbamic acid 2,3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020249
ERPathway2016 ERPathway2016_960 Carbofuran 1563-66-2 DTXSID9020249 ER Pathway Model, Agonist Model Score 0 Unitless CNC(=O)OC1=CC=CC2=C1OC(C)(C)C2 Carbofuran 1563-66-2|Carbofuran|2,2-Dimethyl-2,3-dihydro-7-benzofuranyl N-methylcarbamate|2,2-Dimethyl-2,3-dihydro-7-benzofuranyl-N-methylcarbamate|2,2-Dimethyl-7-coumaranyl N-methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranol methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl N-methylcarbamate|2,3-Dihydro-2,2-dimethylbenzofuran-7-yl methylcarbamate|2,3-Dihydro-2,2-dimethylbenzofuranyl-7-N-methylcarbamate|5-17-04-00048|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, 7-(N-methylcarbamate)|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate|Bayer 70143|BRN 1428746|Carbamic acid, methyl-, 2,2-dimethyl-2,3-dihydrobenzofuran-7-yl ester|Carbamic acid, methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester|Carbofuran [ANSI:BSI:ISO]|Carbofurane|Caswell No. 160A|Chinufur|Crisfuran|Curaterr|Diafuran|Diafuran 5G|EINECS 216-353-0|EPA Pesticide Chemical Code 090601|Furacarb|Furadan|Furadan 350S|Furadan 75WP|Furadan F|Furadan G|Furadan SP 50|Karbofuranu|Kenofuran|Methyl carbamic acid 2,3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020249
ERPathway2016 ERPathway2016_960 Carbofuran 1563-66-2 DTXSID9020249 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)OC1=CC=CC2=C1OC(C)(C)C2 Carbofuran 1563-66-2|Carbofuran|2,2-Dimethyl-2,3-dihydro-7-benzofuranyl N-methylcarbamate|2,2-Dimethyl-2,3-dihydro-7-benzofuranyl-N-methylcarbamate|2,2-Dimethyl-7-coumaranyl N-methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranol methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl N-methylcarbamate|2,3-Dihydro-2,2-dimethylbenzofuran-7-yl methylcarbamate|2,3-Dihydro-2,2-dimethylbenzofuranyl-7-N-methylcarbamate|5-17-04-00048|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, 7-(N-methylcarbamate)|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate|Bayer 70143|BRN 1428746|Carbamic acid, methyl-, 2,2-dimethyl-2,3-dihydrobenzofuran-7-yl ester|Carbamic acid, methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester|Carbofuran [ANSI:BSI:ISO]|Carbofurane|Caswell No. 160A|Chinufur|Crisfuran|Curaterr|Diafuran|Diafuran 5G|EINECS 216-353-0|EPA Pesticide Chemical Code 090601|Furacarb|Furadan|Furadan 350S|Furadan 75WP|Furadan F|Furadan G|Furadan SP 50|Karbofuranu|Kenofuran|Methyl carbamic acid 2,3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020249
ERPathway2016 ERPathway2016_960 Carbofuran 1563-66-2 DTXSID9020249 ER Pathway Model, Agonist Call Inactive Unitless CNC(=O)OC1=CC=CC2=C1OC(C)(C)C2 Carbofuran 1563-66-2|Carbofuran|2,2-Dimethyl-2,3-dihydro-7-benzofuranyl N-methylcarbamate|2,2-Dimethyl-2,3-dihydro-7-benzofuranyl-N-methylcarbamate|2,2-Dimethyl-7-coumaranyl N-methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranol methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl N-methylcarbamate|2,3-Dihydro-2,2-dimethylbenzofuran-7-yl methylcarbamate|2,3-Dihydro-2,2-dimethylbenzofuranyl-7-N-methylcarbamate|5-17-04-00048|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, 7-(N-methylcarbamate)|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate|Bayer 70143|BRN 1428746|Carbamic acid, methyl-, 2,2-dimethyl-2,3-dihydrobenzofuran-7-yl ester|Carbamic acid, methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester|Carbofuran [ANSI:BSI:ISO]|Carbofurane|Caswell No. 160A|Chinufur|Crisfuran|Curaterr|Diafuran|Diafuran 5G|EINECS 216-353-0|EPA Pesticide Chemical Code 090601|Furacarb|Furadan|Furadan 350S|Furadan 75WP|Furadan F|Furadan G|Furadan SP 50|Karbofuranu|Kenofuran|Methyl carbamic acid 2,3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020249
ERPathway2016 ERPathway2016_960 Carbofuran 1563-66-2 DTXSID9020249 ER Pathway Model, Antagonist Call Inactive Unitless CNC(=O)OC1=CC=CC2=C1OC(C)(C)C2 Carbofuran 1563-66-2|Carbofuran|2,2-Dimethyl-2,3-dihydro-7-benzofuranyl N-methylcarbamate|2,2-Dimethyl-2,3-dihydro-7-benzofuranyl-N-methylcarbamate|2,2-Dimethyl-7-coumaranyl N-methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranol methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl N-methylcarbamate|2,3-Dihydro-2,2-dimethylbenzofuran-7-yl methylcarbamate|2,3-Dihydro-2,2-dimethylbenzofuranyl-7-N-methylcarbamate|5-17-04-00048|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, 7-(N-methylcarbamate)|7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate|Bayer 70143|BRN 1428746|Carbamic acid, methyl-, 2,2-dimethyl-2,3-dihydrobenzofuran-7-yl ester|Carbamic acid, methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester|Carbofuran [ANSI:BSI:ISO]|Carbofurane|Caswell No. 160A|Chinufur|Crisfuran|Curaterr|Diafuran|Diafuran 5G|EINECS 216-353-0|EPA Pesticide Chemical Code 090601|Furacarb|Furadan|Furadan 350S|Furadan 75WP|Furadan F|Furadan G|Furadan SP 50|Karbofuranu|Kenofuran|Methyl carbamic acid 2,3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020249
ARPathway2016 ARPathway2016_210 Carbosulfan 55285-14-8 DTXSID5023950 1.0 Antagonist AR Pathway Model, Agonist AC50 29.22755092 uM CCCCN(CCCC)SN(C)C(=O)OC1=C2OC(C)(C)CC2=CC=C1 Carbosulfan 55285-14-8|Carbosulfan|((Dibutylamino)thio)methylcarbamic acid, 2,2-dimethyl-2,3-dihydro-7-benzofuranyl ester|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (di-n-butylaminosulfenyl)methylcarbamate|Advantage|BRN 1397995|Caswell No. 463C|Dibutylaminosulfenylcarbofuran|EINECS 259-565-9|EPA Pesticide Chemical Code 090602|Marshal|Marshall|UNII-V1DGN4AK6G|73468-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023950
ARPathway2016 ARPathway2016_210 Carbosulfan 55285-14-8 DTXSID5023950 1.0 Antagonist AR Pathway Model, Agonist ACC 32.27550085 uM CCCCN(CCCC)SN(C)C(=O)OC1=C2OC(C)(C)CC2=CC=C1 Carbosulfan 55285-14-8|Carbosulfan|((Dibutylamino)thio)methylcarbamic acid, 2,2-dimethyl-2,3-dihydro-7-benzofuranyl ester|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (di-n-butylaminosulfenyl)methylcarbamate|Advantage|BRN 1397995|Caswell No. 463C|Dibutylaminosulfenylcarbofuran|EINECS 259-565-9|EPA Pesticide Chemical Code 090602|Marshal|Marshall|UNII-V1DGN4AK6G|73468-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023950
ARPathway2016 ARPathway2016_210 Carbosulfan 55285-14-8 DTXSID5023950 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0741 Unitless CCCCN(CCCC)SN(C)C(=O)OC1=C2OC(C)(C)CC2=CC=C1 Carbosulfan 55285-14-8|Carbosulfan|((Dibutylamino)thio)methylcarbamic acid, 2,2-dimethyl-2,3-dihydro-7-benzofuranyl ester|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (di-n-butylaminosulfenyl)methylcarbamate|Advantage|BRN 1397995|Caswell No. 463C|Dibutylaminosulfenylcarbofuran|EINECS 259-565-9|EPA Pesticide Chemical Code 090602|Marshal|Marshall|UNII-V1DGN4AK6G|73468-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023950
ARPathway2016 ARPathway2016_210 Carbosulfan 55285-14-8 DTXSID5023950 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCCN(CCCC)SN(C)C(=O)OC1=C2OC(C)(C)CC2=CC=C1 Carbosulfan 55285-14-8|Carbosulfan|((Dibutylamino)thio)methylcarbamic acid, 2,2-dimethyl-2,3-dihydro-7-benzofuranyl ester|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (di-n-butylaminosulfenyl)methylcarbamate|Advantage|BRN 1397995|Caswell No. 463C|Dibutylaminosulfenylcarbofuran|EINECS 259-565-9|EPA Pesticide Chemical Code 090602|Marshal|Marshall|UNII-V1DGN4AK6G|73468-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023950
ARPathway2016 ARPathway2016_210 Carbosulfan 55285-14-8 DTXSID5023950 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCN(CCCC)SN(C)C(=O)OC1=C2OC(C)(C)CC2=CC=C1 Carbosulfan 55285-14-8|Carbosulfan|((Dibutylamino)thio)methylcarbamic acid, 2,2-dimethyl-2,3-dihydro-7-benzofuranyl ester|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (di-n-butylaminosulfenyl)methylcarbamate|Advantage|BRN 1397995|Caswell No. 463C|Dibutylaminosulfenylcarbofuran|EINECS 259-565-9|EPA Pesticide Chemical Code 090602|Marshal|Marshall|UNII-V1DGN4AK6G|73468-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023950
ARPathway2016 ARPathway2016_210 Carbosulfan 55285-14-8 DTXSID5023950 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCN(CCCC)SN(C)C(=O)OC1=C2OC(C)(C)CC2=CC=C1 Carbosulfan 55285-14-8|Carbosulfan|((Dibutylamino)thio)methylcarbamic acid, 2,2-dimethyl-2,3-dihydro-7-benzofuranyl ester|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (di-n-butylaminosulfenyl)methylcarbamate|Advantage|BRN 1397995|Caswell No. 463C|Dibutylaminosulfenylcarbofuran|EINECS 259-565-9|EPA Pesticide Chemical Code 090602|Marshal|Marshall|UNII-V1DGN4AK6G|73468-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023950
ERPathway2016 ERPathway2016_386 Carbosulfan 55285-14-8 DTXSID5023950 ER Pathway Model, Antagonist AC50 29.9970180706851 uM CCCCN(CCCC)SN(C)C(=O)OC1=C2OC(C)(C)CC2=CC=C1 Carbosulfan 55285-14-8|Carbosulfan|((Dibutylamino)thio)methylcarbamic acid, 2,2-dimethyl-2,3-dihydro-7-benzofuranyl ester|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (di-n-butylaminosulfenyl)methylcarbamate|Advantage|BRN 1397995|Caswell No. 463C|Dibutylaminosulfenylcarbofuran|EINECS 259-565-9|EPA Pesticide Chemical Code 090602|Marshal|Marshall|UNII-V1DGN4AK6G|73468-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023950
ERPathway2016 ERPathway2016_386 Carbosulfan 55285-14-8 DTXSID5023950 ER Pathway Model, Antagonist ACC 1.09588256342074 uM CCCCN(CCCC)SN(C)C(=O)OC1=C2OC(C)(C)CC2=CC=C1 Carbosulfan 55285-14-8|Carbosulfan|((Dibutylamino)thio)methylcarbamic acid, 2,2-dimethyl-2,3-dihydro-7-benzofuranyl ester|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (di-n-butylaminosulfenyl)methylcarbamate|Advantage|BRN 1397995|Caswell No. 463C|Dibutylaminosulfenylcarbofuran|EINECS 259-565-9|EPA Pesticide Chemical Code 090602|Marshal|Marshall|UNII-V1DGN4AK6G|73468-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023950
ERPathway2016 ERPathway2016_386 Carbosulfan 55285-14-8 DTXSID5023950 ER Pathway Model, Agonist Model Score 0.0115 Unitless CCCCN(CCCC)SN(C)C(=O)OC1=C2OC(C)(C)CC2=CC=C1 Carbosulfan 55285-14-8|Carbosulfan|((Dibutylamino)thio)methylcarbamic acid, 2,2-dimethyl-2,3-dihydro-7-benzofuranyl ester|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (di-n-butylaminosulfenyl)methylcarbamate|Advantage|BRN 1397995|Caswell No. 463C|Dibutylaminosulfenylcarbofuran|EINECS 259-565-9|EPA Pesticide Chemical Code 090602|Marshal|Marshall|UNII-V1DGN4AK6G|73468-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023950
ERPathway2016 ERPathway2016_386 Carbosulfan 55285-14-8 DTXSID5023950 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCN(CCCC)SN(C)C(=O)OC1=C2OC(C)(C)CC2=CC=C1 Carbosulfan 55285-14-8|Carbosulfan|((Dibutylamino)thio)methylcarbamic acid, 2,2-dimethyl-2,3-dihydro-7-benzofuranyl ester|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (di-n-butylaminosulfenyl)methylcarbamate|Advantage|BRN 1397995|Caswell No. 463C|Dibutylaminosulfenylcarbofuran|EINECS 259-565-9|EPA Pesticide Chemical Code 090602|Marshal|Marshall|UNII-V1DGN4AK6G|73468-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023950
ERPathway2016 ERPathway2016_386 Carbosulfan 55285-14-8 DTXSID5023950 ER Pathway Model, Agonist Call Inactive Unitless CCCCN(CCCC)SN(C)C(=O)OC1=C2OC(C)(C)CC2=CC=C1 Carbosulfan 55285-14-8|Carbosulfan|((Dibutylamino)thio)methylcarbamic acid, 2,2-dimethyl-2,3-dihydro-7-benzofuranyl ester|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (di-n-butylaminosulfenyl)methylcarbamate|Advantage|BRN 1397995|Caswell No. 463C|Dibutylaminosulfenylcarbofuran|EINECS 259-565-9|EPA Pesticide Chemical Code 090602|Marshal|Marshall|UNII-V1DGN4AK6G|73468-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023950
ERPathway2016 ERPathway2016_386 Carbosulfan 55285-14-8 DTXSID5023950 ER Pathway Model, Antagonist Call Active Unitless CCCCN(CCCC)SN(C)C(=O)OC1=C2OC(C)(C)CC2=CC=C1 Carbosulfan 55285-14-8|Carbosulfan|((Dibutylamino)thio)methylcarbamic acid, 2,2-dimethyl-2,3-dihydro-7-benzofuranyl ester|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((dibutylamino)thio)methylcarbamate|2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (di-n-butylaminosulfenyl)methylcarbamate|Advantage|BRN 1397995|Caswell No. 463C|Dibutylaminosulfenylcarbofuran|EINECS 259-565-9|EPA Pesticide Chemical Code 090602|Marshal|Marshall|UNII-V1DGN4AK6G|73468-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023950
ARPathway2016 ARPathway2016_1274 Carboxin 5234-68-4 DTXSID0023951 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(SCCO1)C(=O)NC1=CC=CC=C1 Carboxin 5234-68-4|Carboxin|1-Oxa-2-methyl-3-(anilidocarbonyl)-4-thiacyclohex-2-ene|1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-|1,4-Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl-|1,4-Oxathiin, 2,3-dihydro-5-carboxanilido-6-methyl-|2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin|2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide|2,3-Dihydro-6-methyl-1,4-oxathiine-5-carboxylic acid anilide|2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin|5-19-07-00251|5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin|5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide|5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin|5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide|5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathin-3-carboxamide|BRN 0983249|Carbathiin|carboxina|Carboxine|Caswell No. 165A|Cerevax|Cerevax Extra|DCMO|DMOC|DMOC (VAN)|Dual Murganic RPB|EINECS 226-031-1|Enhance|Enhance Plus|EPA Pesticide Chemical Code 090201|Fenoxan|Flo Pro V Seed Protectant|Germate Plus|Karboxyn|Kemikar|Mist-O-Matic Murganic|Murganic|N-Phenyl-2-methyl-5,6-dihy|105913-74-4|1135441-56-3|95078-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023951
ARPathway2016 ARPathway2016_1274 Carboxin 5234-68-4 DTXSID0023951 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(SCCO1)C(=O)NC1=CC=CC=C1 Carboxin 5234-68-4|Carboxin|1-Oxa-2-methyl-3-(anilidocarbonyl)-4-thiacyclohex-2-ene|1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-|1,4-Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl-|1,4-Oxathiin, 2,3-dihydro-5-carboxanilido-6-methyl-|2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin|2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide|2,3-Dihydro-6-methyl-1,4-oxathiine-5-carboxylic acid anilide|2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin|5-19-07-00251|5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin|5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide|5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin|5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide|5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathin-3-carboxamide|BRN 0983249|Carbathiin|carboxina|Carboxine|Caswell No. 165A|Cerevax|Cerevax Extra|DCMO|DMOC|DMOC (VAN)|Dual Murganic RPB|EINECS 226-031-1|Enhance|Enhance Plus|EPA Pesticide Chemical Code 090201|Fenoxan|Flo Pro V Seed Protectant|Germate Plus|Karboxyn|Kemikar|Mist-O-Matic Murganic|Murganic|N-Phenyl-2-methyl-5,6-dihy|105913-74-4|1135441-56-3|95078-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023951
ARPathway2016 ARPathway2016_1274 Carboxin 5234-68-4 DTXSID0023951 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(SCCO1)C(=O)NC1=CC=CC=C1 Carboxin 5234-68-4|Carboxin|1-Oxa-2-methyl-3-(anilidocarbonyl)-4-thiacyclohex-2-ene|1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-|1,4-Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl-|1,4-Oxathiin, 2,3-dihydro-5-carboxanilido-6-methyl-|2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin|2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide|2,3-Dihydro-6-methyl-1,4-oxathiine-5-carboxylic acid anilide|2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin|5-19-07-00251|5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin|5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide|5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin|5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide|5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathin-3-carboxamide|BRN 0983249|Carbathiin|carboxina|Carboxine|Caswell No. 165A|Cerevax|Cerevax Extra|DCMO|DMOC|DMOC (VAN)|Dual Murganic RPB|EINECS 226-031-1|Enhance|Enhance Plus|EPA Pesticide Chemical Code 090201|Fenoxan|Flo Pro V Seed Protectant|Germate Plus|Karboxyn|Kemikar|Mist-O-Matic Murganic|Murganic|N-Phenyl-2-methyl-5,6-dihy|105913-74-4|1135441-56-3|95078-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023951
ARPathway2016 ARPathway2016_1274 Carboxin 5234-68-4 DTXSID0023951 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(SCCO1)C(=O)NC1=CC=CC=C1 Carboxin 5234-68-4|Carboxin|1-Oxa-2-methyl-3-(anilidocarbonyl)-4-thiacyclohex-2-ene|1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-|1,4-Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl-|1,4-Oxathiin, 2,3-dihydro-5-carboxanilido-6-methyl-|2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin|2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide|2,3-Dihydro-6-methyl-1,4-oxathiine-5-carboxylic acid anilide|2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin|5-19-07-00251|5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin|5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide|5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin|5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide|5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathin-3-carboxamide|BRN 0983249|Carbathiin|carboxina|Carboxine|Caswell No. 165A|Cerevax|Cerevax Extra|DCMO|DMOC|DMOC (VAN)|Dual Murganic RPB|EINECS 226-031-1|Enhance|Enhance Plus|EPA Pesticide Chemical Code 090201|Fenoxan|Flo Pro V Seed Protectant|Germate Plus|Karboxyn|Kemikar|Mist-O-Matic Murganic|Murganic|N-Phenyl-2-methyl-5,6-dihy|105913-74-4|1135441-56-3|95078-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023951
ERPathway2016 ERPathway2016_951 Carboxin 5234-68-4 DTXSID0023951 A15 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(SCCO1)C(=O)NC1=CC=CC=C1 Carboxin 5234-68-4|Carboxin|1-Oxa-2-methyl-3-(anilidocarbonyl)-4-thiacyclohex-2-ene|1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-|1,4-Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl-|1,4-Oxathiin, 2,3-dihydro-5-carboxanilido-6-methyl-|2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin|2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide|2,3-Dihydro-6-methyl-1,4-oxathiine-5-carboxylic acid anilide|2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin|5-19-07-00251|5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin|5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide|5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin|5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide|5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathin-3-carboxamide|BRN 0983249|Carbathiin|carboxina|Carboxine|Caswell No. 165A|Cerevax|Cerevax Extra|DCMO|DMOC|DMOC (VAN)|Dual Murganic RPB|EINECS 226-031-1|Enhance|Enhance Plus|EPA Pesticide Chemical Code 090201|Fenoxan|Flo Pro V Seed Protectant|Germate Plus|Karboxyn|Kemikar|Mist-O-Matic Murganic|Murganic|N-Phenyl-2-methyl-5,6-dihy|105913-74-4|1135441-56-3|95078-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023951
ERPathway2016 ERPathway2016_951 Carboxin 5234-68-4 DTXSID0023951 A15 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(SCCO1)C(=O)NC1=CC=CC=C1 Carboxin 5234-68-4|Carboxin|1-Oxa-2-methyl-3-(anilidocarbonyl)-4-thiacyclohex-2-ene|1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-|1,4-Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl-|1,4-Oxathiin, 2,3-dihydro-5-carboxanilido-6-methyl-|2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin|2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide|2,3-Dihydro-6-methyl-1,4-oxathiine-5-carboxylic acid anilide|2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin|5-19-07-00251|5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin|5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide|5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin|5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide|5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathin-3-carboxamide|BRN 0983249|Carbathiin|carboxina|Carboxine|Caswell No. 165A|Cerevax|Cerevax Extra|DCMO|DMOC|DMOC (VAN)|Dual Murganic RPB|EINECS 226-031-1|Enhance|Enhance Plus|EPA Pesticide Chemical Code 090201|Fenoxan|Flo Pro V Seed Protectant|Germate Plus|Karboxyn|Kemikar|Mist-O-Matic Murganic|Murganic|N-Phenyl-2-methyl-5,6-dihy|105913-74-4|1135441-56-3|95078-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023951
ERPathway2016 ERPathway2016_951 Carboxin 5234-68-4 DTXSID0023951 A15 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(SCCO1)C(=O)NC1=CC=CC=C1 Carboxin 5234-68-4|Carboxin|1-Oxa-2-methyl-3-(anilidocarbonyl)-4-thiacyclohex-2-ene|1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-|1,4-Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl-|1,4-Oxathiin, 2,3-dihydro-5-carboxanilido-6-methyl-|2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin|2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide|2,3-Dihydro-6-methyl-1,4-oxathiine-5-carboxylic acid anilide|2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin|5-19-07-00251|5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin|5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide|5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin|5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide|5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathin-3-carboxamide|BRN 0983249|Carbathiin|carboxina|Carboxine|Caswell No. 165A|Cerevax|Cerevax Extra|DCMO|DMOC|DMOC (VAN)|Dual Murganic RPB|EINECS 226-031-1|Enhance|Enhance Plus|EPA Pesticide Chemical Code 090201|Fenoxan|Flo Pro V Seed Protectant|Germate Plus|Karboxyn|Kemikar|Mist-O-Matic Murganic|Murganic|N-Phenyl-2-methyl-5,6-dihy|105913-74-4|1135441-56-3|95078-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023951
ERPathway2016 ERPathway2016_951 Carboxin 5234-68-4 DTXSID0023951 A15 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(SCCO1)C(=O)NC1=CC=CC=C1 Carboxin 5234-68-4|Carboxin|1-Oxa-2-methyl-3-(anilidocarbonyl)-4-thiacyclohex-2-ene|1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-|1,4-Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl-|1,4-Oxathiin, 2,3-dihydro-5-carboxanilido-6-methyl-|2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin|2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide|2,3-Dihydro-6-methyl-1,4-oxathiine-5-carboxylic acid anilide|2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin|5-19-07-00251|5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin|5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide|5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin|5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide|5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathin-3-carboxamide|BRN 0983249|Carbathiin|carboxina|Carboxine|Caswell No. 165A|Cerevax|Cerevax Extra|DCMO|DMOC|DMOC (VAN)|Dual Murganic RPB|EINECS 226-031-1|Enhance|Enhance Plus|EPA Pesticide Chemical Code 090201|Fenoxan|Flo Pro V Seed Protectant|Germate Plus|Karboxyn|Kemikar|Mist-O-Matic Murganic|Murganic|N-Phenyl-2-methyl-5,6-dihy|105913-74-4|1135441-56-3|95078-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023951
ARPathway2016 ARPathway2016_763 Carfentrazone-ethyl 128639-02-1 DTXSID4032532 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C(Cl)CC1=C(Cl)C=C(F)C(=C1)N1N=C(C)N(C(F)F)C1=O Carfentrazone-ethyl 128639-02-1|Carfentrazone-ethyl|Aim (herbicide)|Aurora (pesticide)|Aurora 50WG|Benzenepropanoic acid, a, 2- dichloro- 5- [4- (difluoromethyl) - 4, 5- dihydro- 3- methyl- 5- oxo- 1H- 1, 2, 4- triazol- 1- yl] - 4- fluoro- , ethyl ester|EC No.: 603-291-8|ethyl (RS)-2-chloro-3-[2-chloro-4-fluoro-5-[4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]propionate|Ethyl (RS)-2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl]propionate|ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate F 8426|F-8426|Kuaimieling|Quicksilver T&O|Shark EW|Spotlight|Spotlight (triazolinone herbicide)|Spotlight 24EC|Spotlight Plus|Task (herbicide)|UNII-45Y208AO5K|Zuocaotong https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032532
ARPathway2016 ARPathway2016_763 Carfentrazone-ethyl 128639-02-1 DTXSID4032532 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C(Cl)CC1=C(Cl)C=C(F)C(=C1)N1N=C(C)N(C(F)F)C1=O Carfentrazone-ethyl 128639-02-1|Carfentrazone-ethyl|Aim (herbicide)|Aurora (pesticide)|Aurora 50WG|Benzenepropanoic acid, a, 2- dichloro- 5- [4- (difluoromethyl) - 4, 5- dihydro- 3- methyl- 5- oxo- 1H- 1, 2, 4- triazol- 1- yl] - 4- fluoro- , ethyl ester|EC No.: 603-291-8|ethyl (RS)-2-chloro-3-[2-chloro-4-fluoro-5-[4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]propionate|Ethyl (RS)-2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl]propionate|ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate F 8426|F-8426|Kuaimieling|Quicksilver T&O|Shark EW|Spotlight|Spotlight (triazolinone herbicide)|Spotlight 24EC|Spotlight Plus|Task (herbicide)|UNII-45Y208AO5K|Zuocaotong https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032532
ARPathway2016 ARPathway2016_763 Carfentrazone-ethyl 128639-02-1 DTXSID4032532 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C(Cl)CC1=C(Cl)C=C(F)C(=C1)N1N=C(C)N(C(F)F)C1=O Carfentrazone-ethyl 128639-02-1|Carfentrazone-ethyl|Aim (herbicide)|Aurora (pesticide)|Aurora 50WG|Benzenepropanoic acid, a, 2- dichloro- 5- [4- (difluoromethyl) - 4, 5- dihydro- 3- methyl- 5- oxo- 1H- 1, 2, 4- triazol- 1- yl] - 4- fluoro- , ethyl ester|EC No.: 603-291-8|ethyl (RS)-2-chloro-3-[2-chloro-4-fluoro-5-[4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]propionate|Ethyl (RS)-2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl]propionate|ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate F 8426|F-8426|Kuaimieling|Quicksilver T&O|Shark EW|Spotlight|Spotlight (triazolinone herbicide)|Spotlight 24EC|Spotlight Plus|Task (herbicide)|UNII-45Y208AO5K|Zuocaotong https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032532
ARPathway2016 ARPathway2016_763 Carfentrazone-ethyl 128639-02-1 DTXSID4032532 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C(Cl)CC1=C(Cl)C=C(F)C(=C1)N1N=C(C)N(C(F)F)C1=O Carfentrazone-ethyl 128639-02-1|Carfentrazone-ethyl|Aim (herbicide)|Aurora (pesticide)|Aurora 50WG|Benzenepropanoic acid, a, 2- dichloro- 5- [4- (difluoromethyl) - 4, 5- dihydro- 3- methyl- 5- oxo- 1H- 1, 2, 4- triazol- 1- yl] - 4- fluoro- , ethyl ester|EC No.: 603-291-8|ethyl (RS)-2-chloro-3-[2-chloro-4-fluoro-5-[4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]propionate|Ethyl (RS)-2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl]propionate|ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate F 8426|F-8426|Kuaimieling|Quicksilver T&O|Shark EW|Spotlight|Spotlight (triazolinone herbicide)|Spotlight 24EC|Spotlight Plus|Task (herbicide)|UNII-45Y208AO5K|Zuocaotong https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032532
ERPathway2016 ERPathway2016_906 Carfentrazone-ethyl 128639-02-1 DTXSID4032532 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C(Cl)CC1=C(Cl)C=C(F)C(=C1)N1N=C(C)N(C(F)F)C1=O Carfentrazone-ethyl 128639-02-1|Carfentrazone-ethyl|Aim (herbicide)|Aurora (pesticide)|Aurora 50WG|Benzenepropanoic acid, a, 2- dichloro- 5- [4- (difluoromethyl) - 4, 5- dihydro- 3- methyl- 5- oxo- 1H- 1, 2, 4- triazol- 1- yl] - 4- fluoro- , ethyl ester|EC No.: 603-291-8|ethyl (RS)-2-chloro-3-[2-chloro-4-fluoro-5-[4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]propionate|Ethyl (RS)-2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl]propionate|ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate F 8426|F-8426|Kuaimieling|Quicksilver T&O|Shark EW|Spotlight|Spotlight (triazolinone herbicide)|Spotlight 24EC|Spotlight Plus|Task (herbicide)|UNII-45Y208AO5K|Zuocaotong https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032532
ERPathway2016 ERPathway2016_906 Carfentrazone-ethyl 128639-02-1 DTXSID4032532 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C(Cl)CC1=C(Cl)C=C(F)C(=C1)N1N=C(C)N(C(F)F)C1=O Carfentrazone-ethyl 128639-02-1|Carfentrazone-ethyl|Aim (herbicide)|Aurora (pesticide)|Aurora 50WG|Benzenepropanoic acid, a, 2- dichloro- 5- [4- (difluoromethyl) - 4, 5- dihydro- 3- methyl- 5- oxo- 1H- 1, 2, 4- triazol- 1- yl] - 4- fluoro- , ethyl ester|EC No.: 603-291-8|ethyl (RS)-2-chloro-3-[2-chloro-4-fluoro-5-[4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]propionate|Ethyl (RS)-2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl]propionate|ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate F 8426|F-8426|Kuaimieling|Quicksilver T&O|Shark EW|Spotlight|Spotlight (triazolinone herbicide)|Spotlight 24EC|Spotlight Plus|Task (herbicide)|UNII-45Y208AO5K|Zuocaotong https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032532
ERPathway2016 ERPathway2016_906 Carfentrazone-ethyl 128639-02-1 DTXSID4032532 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C(Cl)CC1=C(Cl)C=C(F)C(=C1)N1N=C(C)N(C(F)F)C1=O Carfentrazone-ethyl 128639-02-1|Carfentrazone-ethyl|Aim (herbicide)|Aurora (pesticide)|Aurora 50WG|Benzenepropanoic acid, a, 2- dichloro- 5- [4- (difluoromethyl) - 4, 5- dihydro- 3- methyl- 5- oxo- 1H- 1, 2, 4- triazol- 1- yl] - 4- fluoro- , ethyl ester|EC No.: 603-291-8|ethyl (RS)-2-chloro-3-[2-chloro-4-fluoro-5-[4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]propionate|Ethyl (RS)-2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl]propionate|ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate F 8426|F-8426|Kuaimieling|Quicksilver T&O|Shark EW|Spotlight|Spotlight (triazolinone herbicide)|Spotlight 24EC|Spotlight Plus|Task (herbicide)|UNII-45Y208AO5K|Zuocaotong https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032532
ERPathway2016 ERPathway2016_906 Carfentrazone-ethyl 128639-02-1 DTXSID4032532 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C(Cl)CC1=C(Cl)C=C(F)C(=C1)N1N=C(C)N(C(F)F)C1=O Carfentrazone-ethyl 128639-02-1|Carfentrazone-ethyl|Aim (herbicide)|Aurora (pesticide)|Aurora 50WG|Benzenepropanoic acid, a, 2- dichloro- 5- [4- (difluoromethyl) - 4, 5- dihydro- 3- methyl- 5- oxo- 1H- 1, 2, 4- triazol- 1- yl] - 4- fluoro- , ethyl ester|EC No.: 603-291-8|ethyl (RS)-2-chloro-3-[2-chloro-4-fluoro-5-[4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]propionate|Ethyl (RS)-2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl]propionate|ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate F 8426|F-8426|Kuaimieling|Quicksilver T&O|Shark EW|Spotlight|Spotlight (triazolinone herbicide)|Spotlight 24EC|Spotlight Plus|Task (herbicide)|UNII-45Y208AO5K|Zuocaotong https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032532
ARPathway2016 ARPathway2016_906 Cariporide mesylate 159138-81-5 DTXSID3047344 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CS(O)(=O)=O.CC(C)C1=CC=C(C=C1S(C)(=O)=O)C(=O)N=C(N)N Cariporide mesylate 159138-81-5|Cariporide mesylate|A000254381B|HOE642|UNII-0543W2JFRZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047344
ARPathway2016 ARPathway2016_906 Cariporide mesylate 159138-81-5 DTXSID3047344 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CS(O)(=O)=O.CC(C)C1=CC=C(C=C1S(C)(=O)=O)C(=O)N=C(N)N Cariporide mesylate 159138-81-5|Cariporide mesylate|A000254381B|HOE642|UNII-0543W2JFRZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047344
ARPathway2016 ARPathway2016_906 Cariporide mesylate 159138-81-5 DTXSID3047344 0.0 AR Pathway Model, Agonist Call Inactive Unitless CS(O)(=O)=O.CC(C)C1=CC=C(C=C1S(C)(=O)=O)C(=O)N=C(N)N Cariporide mesylate 159138-81-5|Cariporide mesylate|A000254381B|HOE642|UNII-0543W2JFRZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047344
ARPathway2016 ARPathway2016_906 Cariporide mesylate 159138-81-5 DTXSID3047344 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CS(O)(=O)=O.CC(C)C1=CC=C(C=C1S(C)(=O)=O)C(=O)N=C(N)N Cariporide mesylate 159138-81-5|Cariporide mesylate|A000254381B|HOE642|UNII-0543W2JFRZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047344
ERPathway2016 ERPathway2016_378 Cariporide mesylate 159138-81-5 DTXSID3047344 ER Pathway Model, Antagonist AC50 33.9553844528239 uM CS(O)(=O)=O.CC(C)C1=CC=C(C=C1S(C)(=O)=O)C(=O)N=C(N)N Cariporide mesylate 159138-81-5|Cariporide mesylate|A000254381B|HOE642|UNII-0543W2JFRZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047344
ERPathway2016 ERPathway2016_378 Cariporide mesylate 159138-81-5 DTXSID3047344 ER Pathway Model, Antagonist ACC 63.4403759164333 uM CS(O)(=O)=O.CC(C)C1=CC=C(C=C1S(C)(=O)=O)C(=O)N=C(N)N Cariporide mesylate 159138-81-5|Cariporide mesylate|A000254381B|HOE642|UNII-0543W2JFRZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047344
ERPathway2016 ERPathway2016_378 Cariporide mesylate 159138-81-5 DTXSID3047344 ER Pathway Model, Agonist Model Score 0.0124 Unitless CS(O)(=O)=O.CC(C)C1=CC=C(C=C1S(C)(=O)=O)C(=O)N=C(N)N Cariporide mesylate 159138-81-5|Cariporide mesylate|A000254381B|HOE642|UNII-0543W2JFRZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047344
ERPathway2016 ERPathway2016_378 Cariporide mesylate 159138-81-5 DTXSID3047344 ER Pathway Model, Antagonist Model Score 0 Unitless CS(O)(=O)=O.CC(C)C1=CC=C(C=C1S(C)(=O)=O)C(=O)N=C(N)N Cariporide mesylate 159138-81-5|Cariporide mesylate|A000254381B|HOE642|UNII-0543W2JFRZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047344
ERPathway2016 ERPathway2016_378 Cariporide mesylate 159138-81-5 DTXSID3047344 ER Pathway Model, Agonist Call Inactive Unitless CS(O)(=O)=O.CC(C)C1=CC=C(C=C1S(C)(=O)=O)C(=O)N=C(N)N Cariporide mesylate 159138-81-5|Cariporide mesylate|A000254381B|HOE642|UNII-0543W2JFRZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047344
ERPathway2016 ERPathway2016_378 Cariporide mesylate 159138-81-5 DTXSID3047344 ER Pathway Model, Antagonist Call Active Unitless CS(O)(=O)=O.CC(C)C1=CC=C(C=C1S(C)(=O)=O)C(=O)N=C(N)N Cariporide mesylate 159138-81-5|Cariporide mesylate|A000254381B|HOE642|UNII-0543W2JFRZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047344
ARPathway2016 ARPathway2016_744 Carminic acid 1260-17-9 DTXSID9022817 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C2C(=O)C3=C(C(O)=C(O)C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O Carminic acid 1260-17-9|Carminic acid|2-Anthracenecarboxylic acid, 7-b-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|2-Anthroic acid, 7-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|2-Anthroic acid, 7-D-glucopyrosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|215-023-3|7-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthroic acid|7-b-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid|7beta-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid|Acide carminique|acido carminico|C.I. 75470|C.I. Natural Red 4|CI Natural Red 4|Coccinellin|Coccus cacti extract|Cochineal extract|EC No.: 215-023-3|EINECS 215-023-3|Karminsaure|Natural Red 4|NSC 326224|NSC 6196|San-Ei Gen San Red 1|Sun Red No. 1|UNII-CID8Z8N95N|131802-72-7|1389-34-0|16667-06-4|37349-49-8|476-39-1|632-55-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022817 https://doi.org/10.22427/NTP-DATA-DTXSID9022817
ARPathway2016 ARPathway2016_744 Carminic acid 1260-17-9 DTXSID9022817 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C2C(=O)C3=C(C(O)=C(O)C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O Carminic acid 1260-17-9|Carminic acid|2-Anthracenecarboxylic acid, 7-b-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|2-Anthroic acid, 7-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|2-Anthroic acid, 7-D-glucopyrosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|215-023-3|7-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthroic acid|7-b-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid|7beta-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid|Acide carminique|acido carminico|C.I. 75470|C.I. Natural Red 4|CI Natural Red 4|Coccinellin|Coccus cacti extract|Cochineal extract|EC No.: 215-023-3|EINECS 215-023-3|Karminsaure|Natural Red 4|NSC 326224|NSC 6196|San-Ei Gen San Red 1|Sun Red No. 1|UNII-CID8Z8N95N|131802-72-7|1389-34-0|16667-06-4|37349-49-8|476-39-1|632-55-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022817 https://doi.org/10.22427/NTP-DATA-DTXSID9022817
ARPathway2016 ARPathway2016_744 Carminic acid 1260-17-9 DTXSID9022817 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C2C(=O)C3=C(C(O)=C(O)C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O Carminic acid 1260-17-9|Carminic acid|2-Anthracenecarboxylic acid, 7-b-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|2-Anthroic acid, 7-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|2-Anthroic acid, 7-D-glucopyrosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|215-023-3|7-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthroic acid|7-b-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid|7beta-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid|Acide carminique|acido carminico|C.I. 75470|C.I. Natural Red 4|CI Natural Red 4|Coccinellin|Coccus cacti extract|Cochineal extract|EC No.: 215-023-3|EINECS 215-023-3|Karminsaure|Natural Red 4|NSC 326224|NSC 6196|San-Ei Gen San Red 1|Sun Red No. 1|UNII-CID8Z8N95N|131802-72-7|1389-34-0|16667-06-4|37349-49-8|476-39-1|632-55-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022817 https://doi.org/10.22427/NTP-DATA-DTXSID9022817
ARPathway2016 ARPathway2016_744 Carminic acid 1260-17-9 DTXSID9022817 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C2C(=O)C3=C(C(O)=C(O)C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O Carminic acid 1260-17-9|Carminic acid|2-Anthracenecarboxylic acid, 7-b-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|2-Anthroic acid, 7-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|2-Anthroic acid, 7-D-glucopyrosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|215-023-3|7-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthroic acid|7-b-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid|7beta-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid|Acide carminique|acido carminico|C.I. 75470|C.I. Natural Red 4|CI Natural Red 4|Coccinellin|Coccus cacti extract|Cochineal extract|EC No.: 215-023-3|EINECS 215-023-3|Karminsaure|Natural Red 4|NSC 326224|NSC 6196|San-Ei Gen San Red 1|Sun Red No. 1|UNII-CID8Z8N95N|131802-72-7|1389-34-0|16667-06-4|37349-49-8|476-39-1|632-55-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022817 https://doi.org/10.22427/NTP-DATA-DTXSID9022817
ERPathway2016 ERPathway2016_1254 Carminic acid 1260-17-9 DTXSID9022817 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C2C(=O)C3=C(C(O)=C(O)C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O Carminic acid 1260-17-9|Carminic acid|2-Anthracenecarboxylic acid, 7-b-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|2-Anthroic acid, 7-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|2-Anthroic acid, 7-D-glucopyrosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|215-023-3|7-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthroic acid|7-b-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid|7beta-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid|Acide carminique|acido carminico|C.I. 75470|C.I. Natural Red 4|CI Natural Red 4|Coccinellin|Coccus cacti extract|Cochineal extract|EC No.: 215-023-3|EINECS 215-023-3|Karminsaure|Natural Red 4|NSC 326224|NSC 6196|San-Ei Gen San Red 1|Sun Red No. 1|UNII-CID8Z8N95N|131802-72-7|1389-34-0|16667-06-4|37349-49-8|476-39-1|632-55-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022817 https://doi.org/10.22427/NTP-DATA-DTXSID9022817
ERPathway2016 ERPathway2016_1254 Carminic acid 1260-17-9 DTXSID9022817 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C2C(=O)C3=C(C(O)=C(O)C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O Carminic acid 1260-17-9|Carminic acid|2-Anthracenecarboxylic acid, 7-b-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|2-Anthroic acid, 7-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|2-Anthroic acid, 7-D-glucopyrosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|215-023-3|7-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthroic acid|7-b-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid|7beta-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid|Acide carminique|acido carminico|C.I. 75470|C.I. Natural Red 4|CI Natural Red 4|Coccinellin|Coccus cacti extract|Cochineal extract|EC No.: 215-023-3|EINECS 215-023-3|Karminsaure|Natural Red 4|NSC 326224|NSC 6196|San-Ei Gen San Red 1|Sun Red No. 1|UNII-CID8Z8N95N|131802-72-7|1389-34-0|16667-06-4|37349-49-8|476-39-1|632-55-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022817 https://doi.org/10.22427/NTP-DATA-DTXSID9022817
ERPathway2016 ERPathway2016_1254 Carminic acid 1260-17-9 DTXSID9022817 ER Pathway Model, Agonist Call Inactive Unitless CC1=C2C(=O)C3=C(C(O)=C(O)C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O Carminic acid 1260-17-9|Carminic acid|2-Anthracenecarboxylic acid, 7-b-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|2-Anthroic acid, 7-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|2-Anthroic acid, 7-D-glucopyrosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|215-023-3|7-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthroic acid|7-b-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid|7beta-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid|Acide carminique|acido carminico|C.I. 75470|C.I. Natural Red 4|CI Natural Red 4|Coccinellin|Coccus cacti extract|Cochineal extract|EC No.: 215-023-3|EINECS 215-023-3|Karminsaure|Natural Red 4|NSC 326224|NSC 6196|San-Ei Gen San Red 1|Sun Red No. 1|UNII-CID8Z8N95N|131802-72-7|1389-34-0|16667-06-4|37349-49-8|476-39-1|632-55-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022817 https://doi.org/10.22427/NTP-DATA-DTXSID9022817
ERPathway2016 ERPathway2016_1254 Carminic acid 1260-17-9 DTXSID9022817 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C2C(=O)C3=C(C(O)=C(O)C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O Carminic acid 1260-17-9|Carminic acid|2-Anthracenecarboxylic acid, 7-b-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|2-Anthroic acid, 7-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|2-Anthroic acid, 7-D-glucopyrosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-|215-023-3|7-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthroic acid|7-b-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid|7beta-D-Glucopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid|Acide carminique|acido carminico|C.I. 75470|C.I. Natural Red 4|CI Natural Red 4|Coccinellin|Coccus cacti extract|Cochineal extract|EC No.: 215-023-3|EINECS 215-023-3|Karminsaure|Natural Red 4|NSC 326224|NSC 6196|San-Ei Gen San Red 1|Sun Red No. 1|UNII-CID8Z8N95N|131802-72-7|1389-34-0|16667-06-4|37349-49-8|476-39-1|632-55-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022817 https://doi.org/10.22427/NTP-DATA-DTXSID9022817
ARPathway2016 ARPathway2016_89 Celecoxib 169590-42-5 DTXSID0022777 FLAG: Wrong direction (Hit/No hit) 0.0 Antagonist AR Pathway Model, Agonist AC50 34.67671832 uM CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F Celecoxib 169590-42-5|Celecoxib|4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide|4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide|4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide|Benzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-|Celebra|Celebrex|Celecox|Celocoxib|Onsenal|p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide|UNII-JCX84Q7J1L|Xilebao https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022777
ARPathway2016 ARPathway2016_89 Celecoxib 169590-42-5 DTXSID0022777 FLAG: Wrong direction (Hit/No hit) 0.0 Antagonist AR Pathway Model, Agonist ACC 35.53782681 uM CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F Celecoxib 169590-42-5|Celecoxib|4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide|4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide|4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide|Benzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-|Celebra|Celebrex|Celecox|Celocoxib|Onsenal|p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide|UNII-JCX84Q7J1L|Xilebao https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022777
ARPathway2016 ARPathway2016_89 Celecoxib 169590-42-5 DTXSID0022777 FLAG: Wrong direction (Hit/No hit) 0.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0739 Unitless CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F Celecoxib 169590-42-5|Celecoxib|4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide|4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide|4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide|Benzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-|Celebra|Celebrex|Celecox|Celocoxib|Onsenal|p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide|UNII-JCX84Q7J1L|Xilebao https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022777
ARPathway2016 ARPathway2016_89 Celecoxib 169590-42-5 DTXSID0022777 FLAG: Wrong direction (Hit/No hit) 0.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F Celecoxib 169590-42-5|Celecoxib|4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide|4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide|4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide|Benzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-|Celebra|Celebrex|Celecox|Celocoxib|Onsenal|p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide|UNII-JCX84Q7J1L|Xilebao https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022777
ARPathway2016 ARPathway2016_89 Celecoxib 169590-42-5 DTXSID0022777 FLAG: Wrong direction (Hit/No hit) 0.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F Celecoxib 169590-42-5|Celecoxib|4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide|4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide|4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide|Benzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-|Celebra|Celebrex|Celecox|Celocoxib|Onsenal|p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide|UNII-JCX84Q7J1L|Xilebao https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022777
ARPathway2016 ARPathway2016_89 Celecoxib 169590-42-5 DTXSID0022777 FLAG: Wrong direction (Hit/No hit) 0.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F Celecoxib 169590-42-5|Celecoxib|4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide|4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide|4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide|Benzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-|Celebra|Celebrex|Celecox|Celocoxib|Onsenal|p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide|UNII-JCX84Q7J1L|Xilebao https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022777
ERPathway2016 ERPathway2016_136 Celecoxib 169590-42-5 DTXSID0022777 ER Pathway Model, Agonist AC50 16.5022232279937 uM CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F Celecoxib 169590-42-5|Celecoxib|4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide|4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide|4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide|Benzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-|Celebra|Celebrex|Celecox|Celocoxib|Onsenal|p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide|UNII-JCX84Q7J1L|Xilebao https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022777
ERPathway2016 ERPathway2016_136 Celecoxib 169590-42-5 DTXSID0022777 ER Pathway Model, Agonist ACC 7.98366763373829 uM CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F Celecoxib 169590-42-5|Celecoxib|4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide|4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide|4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide|Benzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-|Celebra|Celebrex|Celecox|Celocoxib|Onsenal|p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide|UNII-JCX84Q7J1L|Xilebao https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022777
ERPathway2016 ERPathway2016_136 Celecoxib 169590-42-5 DTXSID0022777 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F Celecoxib 169590-42-5|Celecoxib|4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide|4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide|4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide|Benzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-|Celebra|Celebrex|Celecox|Celocoxib|Onsenal|p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide|UNII-JCX84Q7J1L|Xilebao https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022777
ERPathway2016 ERPathway2016_136 Celecoxib 169590-42-5 DTXSID0022777 ER Pathway Model, Antagonist Model Score 0.0159 Unitless CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F Celecoxib 169590-42-5|Celecoxib|4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide|4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide|4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide|Benzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-|Celebra|Celebrex|Celecox|Celocoxib|Onsenal|p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide|UNII-JCX84Q7J1L|Xilebao https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022777
ERPathway2016 ERPathway2016_136 Celecoxib 169590-42-5 DTXSID0022777 ER Pathway Model, Agonist Call Active Unitless CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F Celecoxib 169590-42-5|Celecoxib|4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide|4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide|4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide|Benzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-|Celebra|Celebrex|Celecox|Celocoxib|Onsenal|p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide|UNII-JCX84Q7J1L|Xilebao https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022777
ERPathway2016 ERPathway2016_136 Celecoxib 169590-42-5 DTXSID0022777 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F Celecoxib 169590-42-5|Celecoxib|4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide|4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide|4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide|Benzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-|Celebra|Celebrex|Celecox|Celocoxib|Onsenal|p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide|UNII-JCX84Q7J1L|Xilebao https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022777
ARPathway2016 ARPathway2016_779 Celestolide 13171-00-1 DTXSID9044536 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)C1=CC(=CC2=C1CCC2(C)C)C(C)(C)C Celestolide 13171-00-1|Celestolide|1-(6-(1,1-Dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)ethanone|1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone|4-Acetyl-1,1-dimethyl-6-tert-butylindan|4-Acetyl-6-butyl-1,1-dimethylindane|6-tert-Butyl-1,1-dimethyl-4-indanyl methyl ketone|EINECS 236-114-4|Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-|FEMA No. 3653|Ketone, 6-tert-butyl-1,1-dimethyl-4-indanyl methyl|UNII-E1HM68Q21P|88401-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044536
ARPathway2016 ARPathway2016_779 Celestolide 13171-00-1 DTXSID9044536 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)C1=CC(=CC2=C1CCC2(C)C)C(C)(C)C Celestolide 13171-00-1|Celestolide|1-(6-(1,1-Dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)ethanone|1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone|4-Acetyl-1,1-dimethyl-6-tert-butylindan|4-Acetyl-6-butyl-1,1-dimethylindane|6-tert-Butyl-1,1-dimethyl-4-indanyl methyl ketone|EINECS 236-114-4|Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-|FEMA No. 3653|Ketone, 6-tert-butyl-1,1-dimethyl-4-indanyl methyl|UNII-E1HM68Q21P|88401-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044536
ARPathway2016 ARPathway2016_779 Celestolide 13171-00-1 DTXSID9044536 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C1=CC(=CC2=C1CCC2(C)C)C(C)(C)C Celestolide 13171-00-1|Celestolide|1-(6-(1,1-Dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)ethanone|1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone|4-Acetyl-1,1-dimethyl-6-tert-butylindan|4-Acetyl-6-butyl-1,1-dimethylindane|6-tert-Butyl-1,1-dimethyl-4-indanyl methyl ketone|EINECS 236-114-4|Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-|FEMA No. 3653|Ketone, 6-tert-butyl-1,1-dimethyl-4-indanyl methyl|UNII-E1HM68Q21P|88401-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044536
ARPathway2016 ARPathway2016_779 Celestolide 13171-00-1 DTXSID9044536 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)C1=CC(=CC2=C1CCC2(C)C)C(C)(C)C Celestolide 13171-00-1|Celestolide|1-(6-(1,1-Dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)ethanone|1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone|4-Acetyl-1,1-dimethyl-6-tert-butylindan|4-Acetyl-6-butyl-1,1-dimethylindane|6-tert-Butyl-1,1-dimethyl-4-indanyl methyl ketone|EINECS 236-114-4|Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-|FEMA No. 3653|Ketone, 6-tert-butyl-1,1-dimethyl-4-indanyl methyl|UNII-E1HM68Q21P|88401-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044536
ERPathway2016 ERPathway2016_699 Celestolide 13171-00-1 DTXSID9044536 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)C1=CC(=CC2=C1CCC2(C)C)C(C)(C)C Celestolide 13171-00-1|Celestolide|1-(6-(1,1-Dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)ethanone|1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone|4-Acetyl-1,1-dimethyl-6-tert-butylindan|4-Acetyl-6-butyl-1,1-dimethylindane|6-tert-Butyl-1,1-dimethyl-4-indanyl methyl ketone|EINECS 236-114-4|Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-|FEMA No. 3653|Ketone, 6-tert-butyl-1,1-dimethyl-4-indanyl methyl|UNII-E1HM68Q21P|88401-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044536
ERPathway2016 ERPathway2016_699 Celestolide 13171-00-1 DTXSID9044536 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C1=CC(=CC2=C1CCC2(C)C)C(C)(C)C Celestolide 13171-00-1|Celestolide|1-(6-(1,1-Dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)ethanone|1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone|4-Acetyl-1,1-dimethyl-6-tert-butylindan|4-Acetyl-6-butyl-1,1-dimethylindane|6-tert-Butyl-1,1-dimethyl-4-indanyl methyl ketone|EINECS 236-114-4|Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-|FEMA No. 3653|Ketone, 6-tert-butyl-1,1-dimethyl-4-indanyl methyl|UNII-E1HM68Q21P|88401-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044536
ERPathway2016 ERPathway2016_699 Celestolide 13171-00-1 DTXSID9044536 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)C1=CC(=CC2=C1CCC2(C)C)C(C)(C)C Celestolide 13171-00-1|Celestolide|1-(6-(1,1-Dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)ethanone|1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone|4-Acetyl-1,1-dimethyl-6-tert-butylindan|4-Acetyl-6-butyl-1,1-dimethylindane|6-tert-Butyl-1,1-dimethyl-4-indanyl methyl ketone|EINECS 236-114-4|Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-|FEMA No. 3653|Ketone, 6-tert-butyl-1,1-dimethyl-4-indanyl methyl|UNII-E1HM68Q21P|88401-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044536
ERPathway2016 ERPathway2016_699 Celestolide 13171-00-1 DTXSID9044536 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)C1=CC(=CC2=C1CCC2(C)C)C(C)(C)C Celestolide 13171-00-1|Celestolide|1-(6-(1,1-Dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)ethanone|1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone|4-Acetyl-1,1-dimethyl-6-tert-butylindan|4-Acetyl-6-butyl-1,1-dimethylindane|6-tert-Butyl-1,1-dimethyl-4-indanyl methyl ketone|EINECS 236-114-4|Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-|FEMA No. 3653|Ketone, 6-tert-butyl-1,1-dimethyl-4-indanyl methyl|UNII-E1HM68Q21P|88401-65-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044536
ARPathway2016 ARPathway2016_794 Chloramben 133-90-4 DTXSID2020262 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=C(Cl)C(=CC(Cl)=C1)C(O)=O Chloramben 133-90-4|Chloramben|2,5-Dichloro-3-aminobenzoic acid|3-Amino-2,5-dichlorobenzoic acid|Ambiben|Amiben|Amiben DS|Benzoic acid, 3-amino-2,5-dichloro-|BRN 2365906|Caswell No. 168A|EINECS 205-123-5|EPA Pesticide Chemical Code 029901|Kyselina 3-amino-2,5-dichlorbenzoova|NCI-C00055|Ornamental weeder|Ornamental weeder 4G|UNII-EWG424FFB5|Vegiben https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020262 https://doi.org/10.22427/NTP-DATA-DTXSID2020262
ARPathway2016 ARPathway2016_794 Chloramben 133-90-4 DTXSID2020262 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=C(Cl)C(=CC(Cl)=C1)C(O)=O Chloramben 133-90-4|Chloramben|2,5-Dichloro-3-aminobenzoic acid|3-Amino-2,5-dichlorobenzoic acid|Ambiben|Amiben|Amiben DS|Benzoic acid, 3-amino-2,5-dichloro-|BRN 2365906|Caswell No. 168A|EINECS 205-123-5|EPA Pesticide Chemical Code 029901|Kyselina 3-amino-2,5-dichlorbenzoova|NCI-C00055|Ornamental weeder|Ornamental weeder 4G|UNII-EWG424FFB5|Vegiben https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020262 https://doi.org/10.22427/NTP-DATA-DTXSID2020262
ARPathway2016 ARPathway2016_794 Chloramben 133-90-4 DTXSID2020262 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=C(Cl)C(=CC(Cl)=C1)C(O)=O Chloramben 133-90-4|Chloramben|2,5-Dichloro-3-aminobenzoic acid|3-Amino-2,5-dichlorobenzoic acid|Ambiben|Amiben|Amiben DS|Benzoic acid, 3-amino-2,5-dichloro-|BRN 2365906|Caswell No. 168A|EINECS 205-123-5|EPA Pesticide Chemical Code 029901|Kyselina 3-amino-2,5-dichlorbenzoova|NCI-C00055|Ornamental weeder|Ornamental weeder 4G|UNII-EWG424FFB5|Vegiben https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020262 https://doi.org/10.22427/NTP-DATA-DTXSID2020262
ARPathway2016 ARPathway2016_794 Chloramben 133-90-4 DTXSID2020262 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=C(Cl)C(=CC(Cl)=C1)C(O)=O Chloramben 133-90-4|Chloramben|2,5-Dichloro-3-aminobenzoic acid|3-Amino-2,5-dichlorobenzoic acid|Ambiben|Amiben|Amiben DS|Benzoic acid, 3-amino-2,5-dichloro-|BRN 2365906|Caswell No. 168A|EINECS 205-123-5|EPA Pesticide Chemical Code 029901|Kyselina 3-amino-2,5-dichlorbenzoova|NCI-C00055|Ornamental weeder|Ornamental weeder 4G|UNII-EWG424FFB5|Vegiben https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020262 https://doi.org/10.22427/NTP-DATA-DTXSID2020262
ERPathway2016 ERPathway2016_1277 Chloramben 133-90-4 DTXSID2020262 ER Pathway Model, Agonist Model Score 0 Unitless NC1=C(Cl)C(=CC(Cl)=C1)C(O)=O Chloramben 133-90-4|Chloramben|2,5-Dichloro-3-aminobenzoic acid|3-Amino-2,5-dichlorobenzoic acid|Ambiben|Amiben|Amiben DS|Benzoic acid, 3-amino-2,5-dichloro-|BRN 2365906|Caswell No. 168A|EINECS 205-123-5|EPA Pesticide Chemical Code 029901|Kyselina 3-amino-2,5-dichlorbenzoova|NCI-C00055|Ornamental weeder|Ornamental weeder 4G|UNII-EWG424FFB5|Vegiben https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020262 https://doi.org/10.22427/NTP-DATA-DTXSID2020262
ERPathway2016 ERPathway2016_1277 Chloramben 133-90-4 DTXSID2020262 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=C(Cl)C(=CC(Cl)=C1)C(O)=O Chloramben 133-90-4|Chloramben|2,5-Dichloro-3-aminobenzoic acid|3-Amino-2,5-dichlorobenzoic acid|Ambiben|Amiben|Amiben DS|Benzoic acid, 3-amino-2,5-dichloro-|BRN 2365906|Caswell No. 168A|EINECS 205-123-5|EPA Pesticide Chemical Code 029901|Kyselina 3-amino-2,5-dichlorbenzoova|NCI-C00055|Ornamental weeder|Ornamental weeder 4G|UNII-EWG424FFB5|Vegiben https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020262 https://doi.org/10.22427/NTP-DATA-DTXSID2020262
ERPathway2016 ERPathway2016_1277 Chloramben 133-90-4 DTXSID2020262 ER Pathway Model, Agonist Call Inactive Unitless NC1=C(Cl)C(=CC(Cl)=C1)C(O)=O Chloramben 133-90-4|Chloramben|2,5-Dichloro-3-aminobenzoic acid|3-Amino-2,5-dichlorobenzoic acid|Ambiben|Amiben|Amiben DS|Benzoic acid, 3-amino-2,5-dichloro-|BRN 2365906|Caswell No. 168A|EINECS 205-123-5|EPA Pesticide Chemical Code 029901|Kyselina 3-amino-2,5-dichlorbenzoova|NCI-C00055|Ornamental weeder|Ornamental weeder 4G|UNII-EWG424FFB5|Vegiben https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020262 https://doi.org/10.22427/NTP-DATA-DTXSID2020262
ERPathway2016 ERPathway2016_1277 Chloramben 133-90-4 DTXSID2020262 ER Pathway Model, Antagonist Call Inactive Unitless NC1=C(Cl)C(=CC(Cl)=C1)C(O)=O Chloramben 133-90-4|Chloramben|2,5-Dichloro-3-aminobenzoic acid|3-Amino-2,5-dichlorobenzoic acid|Ambiben|Amiben|Amiben DS|Benzoic acid, 3-amino-2,5-dichloro-|BRN 2365906|Caswell No. 168A|EINECS 205-123-5|EPA Pesticide Chemical Code 029901|Kyselina 3-amino-2,5-dichlorbenzoova|NCI-C00055|Ornamental weeder|Ornamental weeder 4G|UNII-EWG424FFB5|Vegiben https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020262 https://doi.org/10.22427/NTP-DATA-DTXSID2020262
ARPathway2016 ARPathway2016_1507 Chloramine-T trihydrate 7080-50-4 DTXSID6040795 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O.O.O.[Na+].CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl Chloramine-T trihydrate 7080-50-4|Chloramine-T trihydrate|Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, hydrate (1:1:3)|Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, trihydrate|Chloraseptin|Chlorazol|Disifin|Hydroclonazone|Minachlor|N-Chloro-p-toluenesulfonamide, monosodium salt, trihydrate|Sodium derivative of N-chloro-p-toluenesulfonamide trihydrate|Tosylchloramide sodium trihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040795
ARPathway2016 ARPathway2016_1507 Chloramine-T trihydrate 7080-50-4 DTXSID6040795 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O.O.O.[Na+].CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl Chloramine-T trihydrate 7080-50-4|Chloramine-T trihydrate|Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, hydrate (1:1:3)|Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, trihydrate|Chloraseptin|Chlorazol|Disifin|Hydroclonazone|Minachlor|N-Chloro-p-toluenesulfonamide, monosodium salt, trihydrate|Sodium derivative of N-chloro-p-toluenesulfonamide trihydrate|Tosylchloramide sodium trihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040795
ARPathway2016 ARPathway2016_1507 Chloramine-T trihydrate 7080-50-4 DTXSID6040795 0.0 AR Pathway Model, Agonist Call Inactive Unitless O.O.O.[Na+].CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl Chloramine-T trihydrate 7080-50-4|Chloramine-T trihydrate|Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, hydrate (1:1:3)|Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, trihydrate|Chloraseptin|Chlorazol|Disifin|Hydroclonazone|Minachlor|N-Chloro-p-toluenesulfonamide, monosodium salt, trihydrate|Sodium derivative of N-chloro-p-toluenesulfonamide trihydrate|Tosylchloramide sodium trihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040795
ARPathway2016 ARPathway2016_1507 Chloramine-T trihydrate 7080-50-4 DTXSID6040795 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O.O.O.[Na+].CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl Chloramine-T trihydrate 7080-50-4|Chloramine-T trihydrate|Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, hydrate (1:1:3)|Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, trihydrate|Chloraseptin|Chlorazol|Disifin|Hydroclonazone|Minachlor|N-Chloro-p-toluenesulfonamide, monosodium salt, trihydrate|Sodium derivative of N-chloro-p-toluenesulfonamide trihydrate|Tosylchloramide sodium trihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040795
ERPathway2016 ERPathway2016_989 Chloramine-T trihydrate 7080-50-4 DTXSID6040795 ER Pathway Model, Agonist Model Score 0 Unitless O.O.O.[Na+].CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl Chloramine-T trihydrate 7080-50-4|Chloramine-T trihydrate|Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, hydrate (1:1:3)|Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, trihydrate|Chloraseptin|Chlorazol|Disifin|Hydroclonazone|Minachlor|N-Chloro-p-toluenesulfonamide, monosodium salt, trihydrate|Sodium derivative of N-chloro-p-toluenesulfonamide trihydrate|Tosylchloramide sodium trihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040795
ERPathway2016 ERPathway2016_989 Chloramine-T trihydrate 7080-50-4 DTXSID6040795 ER Pathway Model, Antagonist Model Score 0 Unitless O.O.O.[Na+].CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl Chloramine-T trihydrate 7080-50-4|Chloramine-T trihydrate|Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, hydrate (1:1:3)|Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, trihydrate|Chloraseptin|Chlorazol|Disifin|Hydroclonazone|Minachlor|N-Chloro-p-toluenesulfonamide, monosodium salt, trihydrate|Sodium derivative of N-chloro-p-toluenesulfonamide trihydrate|Tosylchloramide sodium trihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040795
ERPathway2016 ERPathway2016_989 Chloramine-T trihydrate 7080-50-4 DTXSID6040795 ER Pathway Model, Agonist Call Inactive Unitless O.O.O.[Na+].CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl Chloramine-T trihydrate 7080-50-4|Chloramine-T trihydrate|Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, hydrate (1:1:3)|Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, trihydrate|Chloraseptin|Chlorazol|Disifin|Hydroclonazone|Minachlor|N-Chloro-p-toluenesulfonamide, monosodium salt, trihydrate|Sodium derivative of N-chloro-p-toluenesulfonamide trihydrate|Tosylchloramide sodium trihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040795
ERPathway2016 ERPathway2016_989 Chloramine-T trihydrate 7080-50-4 DTXSID6040795 ER Pathway Model, Antagonist Call Inactive Unitless O.O.O.[Na+].CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl Chloramine-T trihydrate 7080-50-4|Chloramine-T trihydrate|Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, hydrate (1:1:3)|Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, trihydrate|Chloraseptin|Chlorazol|Disifin|Hydroclonazone|Minachlor|N-Chloro-p-toluenesulfonamide, monosodium salt, trihydrate|Sodium derivative of N-chloro-p-toluenesulfonamide trihydrate|Tosylchloramide sodium trihydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040795
ARPathway2016 ARPathway2016_626 Chlorendic acid 115-28-6 DTXSID2020268 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl Chlorendic acid 115-28-6|Chlorendic acid|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo-(2,2,1)hept-5-en-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorodicyclo-(2.2.1)-5-heptene-2,3-dicarboxylic acid|2H,3H-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid|5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-|Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-|EINECS 204-078-9|HET acid|Hexachloro-endo-methylenetetrahydrophthalic acid|Hexachloroendomethylenetetrahydrophthalic acid|Kyselina 1,2,3,4,7,7-hexachlorbicyklo(2,2,1)hept-2-en-5,6-dikarboxylova|Kyselina 3,6-endomethylen-3,4,5,6,7,7-hexachlor-delta(sup 4)-tetrahydroftalova|Kyselina 3,6-endomethylen-3,4,5,6,7,7-hexachlor-delta(sup 4)-tetrahyroftalova|Kyselina het|NCI-C55072|NSC 22231|NSC 41876|5343-97-5|7374-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020268 https://doi.org/10.22427/NTP-DATA-DTXSID2020268
ARPathway2016 ARPathway2016_626 Chlorendic acid 115-28-6 DTXSID2020268 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl Chlorendic acid 115-28-6|Chlorendic acid|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo-(2,2,1)hept-5-en-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorodicyclo-(2.2.1)-5-heptene-2,3-dicarboxylic acid|2H,3H-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid|5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-|Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-|EINECS 204-078-9|HET acid|Hexachloro-endo-methylenetetrahydrophthalic acid|Hexachloroendomethylenetetrahydrophthalic acid|Kyselina 1,2,3,4,7,7-hexachlorbicyklo(2,2,1)hept-2-en-5,6-dikarboxylova|Kyselina 3,6-endomethylen-3,4,5,6,7,7-hexachlor-delta(sup 4)-tetrahydroftalova|Kyselina 3,6-endomethylen-3,4,5,6,7,7-hexachlor-delta(sup 4)-tetrahyroftalova|Kyselina het|NCI-C55072|NSC 22231|NSC 41876|5343-97-5|7374-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020268 https://doi.org/10.22427/NTP-DATA-DTXSID2020268
ARPathway2016 ARPathway2016_626 Chlorendic acid 115-28-6 DTXSID2020268 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl Chlorendic acid 115-28-6|Chlorendic acid|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo-(2,2,1)hept-5-en-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorodicyclo-(2.2.1)-5-heptene-2,3-dicarboxylic acid|2H,3H-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid|5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-|Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-|EINECS 204-078-9|HET acid|Hexachloro-endo-methylenetetrahydrophthalic acid|Hexachloroendomethylenetetrahydrophthalic acid|Kyselina 1,2,3,4,7,7-hexachlorbicyklo(2,2,1)hept-2-en-5,6-dikarboxylova|Kyselina 3,6-endomethylen-3,4,5,6,7,7-hexachlor-delta(sup 4)-tetrahydroftalova|Kyselina 3,6-endomethylen-3,4,5,6,7,7-hexachlor-delta(sup 4)-tetrahyroftalova|Kyselina het|NCI-C55072|NSC 22231|NSC 41876|5343-97-5|7374-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020268 https://doi.org/10.22427/NTP-DATA-DTXSID2020268
ARPathway2016 ARPathway2016_626 Chlorendic acid 115-28-6 DTXSID2020268 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl Chlorendic acid 115-28-6|Chlorendic acid|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo-(2,2,1)hept-5-en-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorodicyclo-(2.2.1)-5-heptene-2,3-dicarboxylic acid|2H,3H-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid|5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-|Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-|EINECS 204-078-9|HET acid|Hexachloro-endo-methylenetetrahydrophthalic acid|Hexachloroendomethylenetetrahydrophthalic acid|Kyselina 1,2,3,4,7,7-hexachlorbicyklo(2,2,1)hept-2-en-5,6-dikarboxylova|Kyselina 3,6-endomethylen-3,4,5,6,7,7-hexachlor-delta(sup 4)-tetrahydroftalova|Kyselina 3,6-endomethylen-3,4,5,6,7,7-hexachlor-delta(sup 4)-tetrahyroftalova|Kyselina het|NCI-C55072|NSC 22231|NSC 41876|5343-97-5|7374-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020268 https://doi.org/10.22427/NTP-DATA-DTXSID2020268
ERPathway2016 ERPathway2016_1188 Chlorendic acid 115-28-6 DTXSID2020268 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl Chlorendic acid 115-28-6|Chlorendic acid|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo-(2,2,1)hept-5-en-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorodicyclo-(2.2.1)-5-heptene-2,3-dicarboxylic acid|2H,3H-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid|5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-|Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-|EINECS 204-078-9|HET acid|Hexachloro-endo-methylenetetrahydrophthalic acid|Hexachloroendomethylenetetrahydrophthalic acid|Kyselina 1,2,3,4,7,7-hexachlorbicyklo(2,2,1)hept-2-en-5,6-dikarboxylova|Kyselina 3,6-endomethylen-3,4,5,6,7,7-hexachlor-delta(sup 4)-tetrahydroftalova|Kyselina 3,6-endomethylen-3,4,5,6,7,7-hexachlor-delta(sup 4)-tetrahyroftalova|Kyselina het|NCI-C55072|NSC 22231|NSC 41876|5343-97-5|7374-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020268 https://doi.org/10.22427/NTP-DATA-DTXSID2020268
ERPathway2016 ERPathway2016_1188 Chlorendic acid 115-28-6 DTXSID2020268 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl Chlorendic acid 115-28-6|Chlorendic acid|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo-(2,2,1)hept-5-en-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorodicyclo-(2.2.1)-5-heptene-2,3-dicarboxylic acid|2H,3H-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid|5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-|Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-|EINECS 204-078-9|HET acid|Hexachloro-endo-methylenetetrahydrophthalic acid|Hexachloroendomethylenetetrahydrophthalic acid|Kyselina 1,2,3,4,7,7-hexachlorbicyklo(2,2,1)hept-2-en-5,6-dikarboxylova|Kyselina 3,6-endomethylen-3,4,5,6,7,7-hexachlor-delta(sup 4)-tetrahydroftalova|Kyselina 3,6-endomethylen-3,4,5,6,7,7-hexachlor-delta(sup 4)-tetrahyroftalova|Kyselina het|NCI-C55072|NSC 22231|NSC 41876|5343-97-5|7374-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020268 https://doi.org/10.22427/NTP-DATA-DTXSID2020268
ERPathway2016 ERPathway2016_1188 Chlorendic acid 115-28-6 DTXSID2020268 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl Chlorendic acid 115-28-6|Chlorendic acid|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo-(2,2,1)hept-5-en-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorodicyclo-(2.2.1)-5-heptene-2,3-dicarboxylic acid|2H,3H-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid|5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-|Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-|EINECS 204-078-9|HET acid|Hexachloro-endo-methylenetetrahydrophthalic acid|Hexachloroendomethylenetetrahydrophthalic acid|Kyselina 1,2,3,4,7,7-hexachlorbicyklo(2,2,1)hept-2-en-5,6-dikarboxylova|Kyselina 3,6-endomethylen-3,4,5,6,7,7-hexachlor-delta(sup 4)-tetrahydroftalova|Kyselina 3,6-endomethylen-3,4,5,6,7,7-hexachlor-delta(sup 4)-tetrahyroftalova|Kyselina het|NCI-C55072|NSC 22231|NSC 41876|5343-97-5|7374-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020268 https://doi.org/10.22427/NTP-DATA-DTXSID2020268
ERPathway2016 ERPathway2016_1188 Chlorendic acid 115-28-6 DTXSID2020268 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl Chlorendic acid 115-28-6|Chlorendic acid|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo-(2,2,1)hept-5-en-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid|1,4,5,6,7,7-Hexachlorodicyclo-(2.2.1)-5-heptene-2,3-dicarboxylic acid|2H,3H-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid|5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-|Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-|EINECS 204-078-9|HET acid|Hexachloro-endo-methylenetetrahydrophthalic acid|Hexachloroendomethylenetetrahydrophthalic acid|Kyselina 1,2,3,4,7,7-hexachlorbicyklo(2,2,1)hept-2-en-5,6-dikarboxylova|Kyselina 3,6-endomethylen-3,4,5,6,7,7-hexachlor-delta(sup 4)-tetrahydroftalova|Kyselina 3,6-endomethylen-3,4,5,6,7,7-hexachlor-delta(sup 4)-tetrahyroftalova|Kyselina het|NCI-C55072|NSC 22231|NSC 41876|5343-97-5|7374-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020268 https://doi.org/10.22427/NTP-DATA-DTXSID2020268
ARPathway2016 ARPathway2016_1310 Chlorethoxyfos 54593-83-8 DTXSID2032344 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl Chlorethoxyfos 54593-83-8|Chlorethoxyfos|BRN 2505303|Chlorethoxyphos|Chloroethoxyfos|DPX 43898|DPX-43898|Fortress|O,O-Diethyl O-(1,2,2,2-tetrachloroethyl) thionophosphate|O,O-diethyl O-(1,2,2,2-tetrachloroethyl) thiophosphate|Phosphorothioic acid, O,O-diethyl O-(1,2,2,2-tetrachloroethyl) ester|SD 208304|104559-35-5|119791-49-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032344
ARPathway2016 ARPathway2016_1310 Chlorethoxyfos 54593-83-8 DTXSID2032344 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl Chlorethoxyfos 54593-83-8|Chlorethoxyfos|BRN 2505303|Chlorethoxyphos|Chloroethoxyfos|DPX 43898|DPX-43898|Fortress|O,O-Diethyl O-(1,2,2,2-tetrachloroethyl) thionophosphate|O,O-diethyl O-(1,2,2,2-tetrachloroethyl) thiophosphate|Phosphorothioic acid, O,O-diethyl O-(1,2,2,2-tetrachloroethyl) ester|SD 208304|104559-35-5|119791-49-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032344
ARPathway2016 ARPathway2016_1310 Chlorethoxyfos 54593-83-8 DTXSID2032344 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl Chlorethoxyfos 54593-83-8|Chlorethoxyfos|BRN 2505303|Chlorethoxyphos|Chloroethoxyfos|DPX 43898|DPX-43898|Fortress|O,O-Diethyl O-(1,2,2,2-tetrachloroethyl) thionophosphate|O,O-diethyl O-(1,2,2,2-tetrachloroethyl) thiophosphate|Phosphorothioic acid, O,O-diethyl O-(1,2,2,2-tetrachloroethyl) ester|SD 208304|104559-35-5|119791-49-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032344
ARPathway2016 ARPathway2016_1310 Chlorethoxyfos 54593-83-8 DTXSID2032344 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl Chlorethoxyfos 54593-83-8|Chlorethoxyfos|BRN 2505303|Chlorethoxyphos|Chloroethoxyfos|DPX 43898|DPX-43898|Fortress|O,O-Diethyl O-(1,2,2,2-tetrachloroethyl) thionophosphate|O,O-diethyl O-(1,2,2,2-tetrachloroethyl) thiophosphate|Phosphorothioic acid, O,O-diethyl O-(1,2,2,2-tetrachloroethyl) ester|SD 208304|104559-35-5|119791-49-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032344
ERPathway2016 ERPathway2016_337 Chlorethoxyfos 54593-83-8 DTXSID2032344 ER Pathway Model, Antagonist AC50 35.9893444035162 uM CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl Chlorethoxyfos 54593-83-8|Chlorethoxyfos|BRN 2505303|Chlorethoxyphos|Chloroethoxyfos|DPX 43898|DPX-43898|Fortress|O,O-Diethyl O-(1,2,2,2-tetrachloroethyl) thionophosphate|O,O-diethyl O-(1,2,2,2-tetrachloroethyl) thiophosphate|Phosphorothioic acid, O,O-diethyl O-(1,2,2,2-tetrachloroethyl) ester|SD 208304|104559-35-5|119791-49-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032344
ERPathway2016 ERPathway2016_337 Chlorethoxyfos 54593-83-8 DTXSID2032344 ER Pathway Model, Antagonist ACC 38.8441116860248 uM CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl Chlorethoxyfos 54593-83-8|Chlorethoxyfos|BRN 2505303|Chlorethoxyphos|Chloroethoxyfos|DPX 43898|DPX-43898|Fortress|O,O-Diethyl O-(1,2,2,2-tetrachloroethyl) thionophosphate|O,O-diethyl O-(1,2,2,2-tetrachloroethyl) thiophosphate|Phosphorothioic acid, O,O-diethyl O-(1,2,2,2-tetrachloroethyl) ester|SD 208304|104559-35-5|119791-49-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032344
ERPathway2016 ERPathway2016_337 Chlorethoxyfos 54593-83-8 DTXSID2032344 ER Pathway Model, Agonist Model Score 0.0203 Unitless CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl Chlorethoxyfos 54593-83-8|Chlorethoxyfos|BRN 2505303|Chlorethoxyphos|Chloroethoxyfos|DPX 43898|DPX-43898|Fortress|O,O-Diethyl O-(1,2,2,2-tetrachloroethyl) thionophosphate|O,O-diethyl O-(1,2,2,2-tetrachloroethyl) thiophosphate|Phosphorothioic acid, O,O-diethyl O-(1,2,2,2-tetrachloroethyl) ester|SD 208304|104559-35-5|119791-49-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032344
ERPathway2016 ERPathway2016_337 Chlorethoxyfos 54593-83-8 DTXSID2032344 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl Chlorethoxyfos 54593-83-8|Chlorethoxyfos|BRN 2505303|Chlorethoxyphos|Chloroethoxyfos|DPX 43898|DPX-43898|Fortress|O,O-Diethyl O-(1,2,2,2-tetrachloroethyl) thionophosphate|O,O-diethyl O-(1,2,2,2-tetrachloroethyl) thiophosphate|Phosphorothioic acid, O,O-diethyl O-(1,2,2,2-tetrachloroethyl) ester|SD 208304|104559-35-5|119791-49-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032344
ERPathway2016 ERPathway2016_337 Chlorethoxyfos 54593-83-8 DTXSID2032344 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl Chlorethoxyfos 54593-83-8|Chlorethoxyfos|BRN 2505303|Chlorethoxyphos|Chloroethoxyfos|DPX 43898|DPX-43898|Fortress|O,O-Diethyl O-(1,2,2,2-tetrachloroethyl) thionophosphate|O,O-diethyl O-(1,2,2,2-tetrachloroethyl) thiophosphate|Phosphorothioic acid, O,O-diethyl O-(1,2,2,2-tetrachloroethyl) ester|SD 208304|104559-35-5|119791-49-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032344
ERPathway2016 ERPathway2016_337 Chlorethoxyfos 54593-83-8 DTXSID2032344 ER Pathway Model, Antagonist Call Active Unitless CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl Chlorethoxyfos 54593-83-8|Chlorethoxyfos|BRN 2505303|Chlorethoxyphos|Chloroethoxyfos|DPX 43898|DPX-43898|Fortress|O,O-Diethyl O-(1,2,2,2-tetrachloroethyl) thionophosphate|O,O-diethyl O-(1,2,2,2-tetrachloroethyl) thiophosphate|Phosphorothioic acid, O,O-diethyl O-(1,2,2,2-tetrachloroethyl) ester|SD 208304|104559-35-5|119791-49-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032344
ARPathway2016 ARPathway2016_41 Chlorfenapyr 122453-73-0 DTXSID9032533 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 6.66884070240924 uM CCOCN1C(=C(C#N)C(Br)=C1C(F)(F)F)C1=CC=C(Cl)C=C1 Chlorfenapyr 122453-73-0|Chlorfenapyr|1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-|4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile|AC 303630|Bromchlorfenapyr|Chlorfenapyr|CL 303630|Kotetsu|Pirate|UNII-NWI20P05EB|937701-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032533
ARPathway2016 ARPathway2016_41 Chlorfenapyr 122453-73-0 DTXSID9032533 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 5.8935236080872 uM CCOCN1C(=C(C#N)C(Br)=C1C(F)(F)F)C1=CC=C(Cl)C=C1 Chlorfenapyr 122453-73-0|Chlorfenapyr|1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-|4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile|AC 303630|Bromchlorfenapyr|Chlorfenapyr|CL 303630|Kotetsu|Pirate|UNII-NWI20P05EB|937701-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032533
ARPathway2016 ARPathway2016_41 Chlorfenapyr 122453-73-0 DTXSID9032533 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.112 Unitless CCOCN1C(=C(C#N)C(Br)=C1C(F)(F)F)C1=CC=C(Cl)C=C1 Chlorfenapyr 122453-73-0|Chlorfenapyr|1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-|4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile|AC 303630|Bromchlorfenapyr|Chlorfenapyr|CL 303630|Kotetsu|Pirate|UNII-NWI20P05EB|937701-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032533
ARPathway2016 ARPathway2016_41 Chlorfenapyr 122453-73-0 DTXSID9032533 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCOCN1C(=C(C#N)C(Br)=C1C(F)(F)F)C1=CC=C(Cl)C=C1 Chlorfenapyr 122453-73-0|Chlorfenapyr|1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-|4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile|AC 303630|Bromchlorfenapyr|Chlorfenapyr|CL 303630|Kotetsu|Pirate|UNII-NWI20P05EB|937701-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032533
ARPathway2016 ARPathway2016_41 Chlorfenapyr 122453-73-0 DTXSID9032533 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCOCN1C(=C(C#N)C(Br)=C1C(F)(F)F)C1=CC=C(Cl)C=C1 Chlorfenapyr 122453-73-0|Chlorfenapyr|1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-|4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile|AC 303630|Bromchlorfenapyr|Chlorfenapyr|CL 303630|Kotetsu|Pirate|UNII-NWI20P05EB|937701-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032533
ARPathway2016 ARPathway2016_41 Chlorfenapyr 122453-73-0 DTXSID9032533 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCOCN1C(=C(C#N)C(Br)=C1C(F)(F)F)C1=CC=C(Cl)C=C1 Chlorfenapyr 122453-73-0|Chlorfenapyr|1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-|4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile|AC 303630|Bromchlorfenapyr|Chlorfenapyr|CL 303630|Kotetsu|Pirate|UNII-NWI20P05EB|937701-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032533
ERPathway2016 ERPathway2016_105 Chlorfenapyr 122453-73-0 DTXSID9032533 ER Pathway Model, Agonist AC50 16.0875949929133 uM CCOCN1C(=C(C#N)C(Br)=C1C(F)(F)F)C1=CC=C(Cl)C=C1 Chlorfenapyr 122453-73-0|Chlorfenapyr|1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-|4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile|AC 303630|Bromchlorfenapyr|Chlorfenapyr|CL 303630|Kotetsu|Pirate|UNII-NWI20P05EB|937701-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032533
ERPathway2016 ERPathway2016_105 Chlorfenapyr 122453-73-0 DTXSID9032533 ER Pathway Model, Agonist ACC 8.43698992214429 uM CCOCN1C(=C(C#N)C(Br)=C1C(F)(F)F)C1=CC=C(Cl)C=C1 Chlorfenapyr 122453-73-0|Chlorfenapyr|1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-|4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile|AC 303630|Bromchlorfenapyr|Chlorfenapyr|CL 303630|Kotetsu|Pirate|UNII-NWI20P05EB|937701-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032533
ERPathway2016 ERPathway2016_105 Chlorfenapyr 122453-73-0 DTXSID9032533 ER Pathway Model, Agonist Model Score 0 Unitless CCOCN1C(=C(C#N)C(Br)=C1C(F)(F)F)C1=CC=C(Cl)C=C1 Chlorfenapyr 122453-73-0|Chlorfenapyr|1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-|4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile|AC 303630|Bromchlorfenapyr|Chlorfenapyr|CL 303630|Kotetsu|Pirate|UNII-NWI20P05EB|937701-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032533
ERPathway2016 ERPathway2016_105 Chlorfenapyr 122453-73-0 DTXSID9032533 ER Pathway Model, Antagonist Model Score 0.0311 Unitless CCOCN1C(=C(C#N)C(Br)=C1C(F)(F)F)C1=CC=C(Cl)C=C1 Chlorfenapyr 122453-73-0|Chlorfenapyr|1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-|4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile|AC 303630|Bromchlorfenapyr|Chlorfenapyr|CL 303630|Kotetsu|Pirate|UNII-NWI20P05EB|937701-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032533
ERPathway2016 ERPathway2016_105 Chlorfenapyr 122453-73-0 DTXSID9032533 ER Pathway Model, Agonist Call Active Unitless CCOCN1C(=C(C#N)C(Br)=C1C(F)(F)F)C1=CC=C(Cl)C=C1 Chlorfenapyr 122453-73-0|Chlorfenapyr|1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-|4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile|AC 303630|Bromchlorfenapyr|Chlorfenapyr|CL 303630|Kotetsu|Pirate|UNII-NWI20P05EB|937701-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032533
ERPathway2016 ERPathway2016_105 Chlorfenapyr 122453-73-0 DTXSID9032533 ER Pathway Model, Antagonist Call Inactive Unitless CCOCN1C(=C(C#N)C(Br)=C1C(F)(F)F)C1=CC=C(Cl)C=C1 Chlorfenapyr 122453-73-0|Chlorfenapyr|1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-|4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile|AC 303630|Bromchlorfenapyr|Chlorfenapyr|CL 303630|Kotetsu|Pirate|UNII-NWI20P05EB|937701-68-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032533
ARPathway2016 ARPathway2016_217 Chlorhexidine diacetate 56-95-1 DTXSID7032345 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 18.6858414673904 uM CC(O)=O.CC(O)=O.ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1 Chlorhexidine diacetate 56-95-1|Chlorhexidine diacetate|1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide)diacetate|1,6-Bis(5-(p-chlorophenyl)biguandino)hexane diacetate|1,6-Bis(p-chlorophenylbiguanido)hexane diacetate|1,6-Di(4'-chlorophenyldiguanidino)hexane diacetate|10,040 Diacetate|2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, acetate (1:2)|Bactigras|Biguanide, 1,1'-hexamethylenebis[5-(p-chlorophenyl)-, diacetate 2,4,11,13-|Bis(p-chlorophenyldiguanidohexane) diacetate|Caswell No. 481E|Chlorhexidine acetate|Chlorohexidine diacetate|EINECS 200-302-4|EPA Pesticide Chemical Code 045502|Hibitane diacetate|NSC 526936|Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, diacetate|UNII-5908ZUF22Y|36466-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032345 https://doi.org/10.22427/NTP-DATA-DTXSID7032345
ARPathway2016 ARPathway2016_217 Chlorhexidine diacetate 56-95-1 DTXSID7032345 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 19.0921883106424 uM CC(O)=O.CC(O)=O.ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1 Chlorhexidine diacetate 56-95-1|Chlorhexidine diacetate|1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide)diacetate|1,6-Bis(5-(p-chlorophenyl)biguandino)hexane diacetate|1,6-Bis(p-chlorophenylbiguanido)hexane diacetate|1,6-Di(4'-chlorophenyldiguanidino)hexane diacetate|10,040 Diacetate|2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, acetate (1:2)|Bactigras|Biguanide, 1,1'-hexamethylenebis[5-(p-chlorophenyl)-, diacetate 2,4,11,13-|Bis(p-chlorophenyldiguanidohexane) diacetate|Caswell No. 481E|Chlorhexidine acetate|Chlorohexidine diacetate|EINECS 200-302-4|EPA Pesticide Chemical Code 045502|Hibitane diacetate|NSC 526936|Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, diacetate|UNII-5908ZUF22Y|36466-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032345 https://doi.org/10.22427/NTP-DATA-DTXSID7032345
ARPathway2016 ARPathway2016_217 Chlorhexidine diacetate 56-95-1 DTXSID7032345 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.305 Unitless CC(O)=O.CC(O)=O.ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1 Chlorhexidine diacetate 56-95-1|Chlorhexidine diacetate|1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide)diacetate|1,6-Bis(5-(p-chlorophenyl)biguandino)hexane diacetate|1,6-Bis(p-chlorophenylbiguanido)hexane diacetate|1,6-Di(4'-chlorophenyldiguanidino)hexane diacetate|10,040 Diacetate|2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, acetate (1:2)|Bactigras|Biguanide, 1,1'-hexamethylenebis[5-(p-chlorophenyl)-, diacetate 2,4,11,13-|Bis(p-chlorophenyldiguanidohexane) diacetate|Caswell No. 481E|Chlorhexidine acetate|Chlorohexidine diacetate|EINECS 200-302-4|EPA Pesticide Chemical Code 045502|Hibitane diacetate|NSC 526936|Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, diacetate|UNII-5908ZUF22Y|36466-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032345 https://doi.org/10.22427/NTP-DATA-DTXSID7032345
ARPathway2016 ARPathway2016_217 Chlorhexidine diacetate 56-95-1 DTXSID7032345 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(O)=O.CC(O)=O.ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1 Chlorhexidine diacetate 56-95-1|Chlorhexidine diacetate|1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide)diacetate|1,6-Bis(5-(p-chlorophenyl)biguandino)hexane diacetate|1,6-Bis(p-chlorophenylbiguanido)hexane diacetate|1,6-Di(4'-chlorophenyldiguanidino)hexane diacetate|10,040 Diacetate|2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, acetate (1:2)|Bactigras|Biguanide, 1,1'-hexamethylenebis[5-(p-chlorophenyl)-, diacetate 2,4,11,13-|Bis(p-chlorophenyldiguanidohexane) diacetate|Caswell No. 481E|Chlorhexidine acetate|Chlorohexidine diacetate|EINECS 200-302-4|EPA Pesticide Chemical Code 045502|Hibitane diacetate|NSC 526936|Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, diacetate|UNII-5908ZUF22Y|36466-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032345 https://doi.org/10.22427/NTP-DATA-DTXSID7032345
ARPathway2016 ARPathway2016_217 Chlorhexidine diacetate 56-95-1 DTXSID7032345 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(O)=O.CC(O)=O.ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1 Chlorhexidine diacetate 56-95-1|Chlorhexidine diacetate|1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide)diacetate|1,6-Bis(5-(p-chlorophenyl)biguandino)hexane diacetate|1,6-Bis(p-chlorophenylbiguanido)hexane diacetate|1,6-Di(4'-chlorophenyldiguanidino)hexane diacetate|10,040 Diacetate|2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, acetate (1:2)|Bactigras|Biguanide, 1,1'-hexamethylenebis[5-(p-chlorophenyl)-, diacetate 2,4,11,13-|Bis(p-chlorophenyldiguanidohexane) diacetate|Caswell No. 481E|Chlorhexidine acetate|Chlorohexidine diacetate|EINECS 200-302-4|EPA Pesticide Chemical Code 045502|Hibitane diacetate|NSC 526936|Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, diacetate|UNII-5908ZUF22Y|36466-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032345 https://doi.org/10.22427/NTP-DATA-DTXSID7032345
ARPathway2016 ARPathway2016_217 Chlorhexidine diacetate 56-95-1 DTXSID7032345 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(O)=O.CC(O)=O.ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1 Chlorhexidine diacetate 56-95-1|Chlorhexidine diacetate|1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide)diacetate|1,6-Bis(5-(p-chlorophenyl)biguandino)hexane diacetate|1,6-Bis(p-chlorophenylbiguanido)hexane diacetate|1,6-Di(4'-chlorophenyldiguanidino)hexane diacetate|10,040 Diacetate|2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, acetate (1:2)|Bactigras|Biguanide, 1,1'-hexamethylenebis[5-(p-chlorophenyl)-, diacetate 2,4,11,13-|Bis(p-chlorophenyldiguanidohexane) diacetate|Caswell No. 481E|Chlorhexidine acetate|Chlorohexidine diacetate|EINECS 200-302-4|EPA Pesticide Chemical Code 045502|Hibitane diacetate|NSC 526936|Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, diacetate|UNII-5908ZUF22Y|36466-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032345 https://doi.org/10.22427/NTP-DATA-DTXSID7032345
ERPathway2016 ERPathway2016_55 Chlorhexidine diacetate 56-95-1 DTXSID7032345 Antagonist ER Pathway Model, Agonist AC50 10.9076577282612 uM CC(O)=O.CC(O)=O.ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1 Chlorhexidine diacetate 56-95-1|Chlorhexidine diacetate|1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide)diacetate|1,6-Bis(5-(p-chlorophenyl)biguandino)hexane diacetate|1,6-Bis(p-chlorophenylbiguanido)hexane diacetate|1,6-Di(4'-chlorophenyldiguanidino)hexane diacetate|10,040 Diacetate|2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, acetate (1:2)|Bactigras|Biguanide, 1,1'-hexamethylenebis[5-(p-chlorophenyl)-, diacetate 2,4,11,13-|Bis(p-chlorophenyldiguanidohexane) diacetate|Caswell No. 481E|Chlorhexidine acetate|Chlorohexidine diacetate|EINECS 200-302-4|EPA Pesticide Chemical Code 045502|Hibitane diacetate|NSC 526936|Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, diacetate|UNII-5908ZUF22Y|36466-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032345 https://doi.org/10.22427/NTP-DATA-DTXSID7032345
ERPathway2016 ERPathway2016_55 Chlorhexidine diacetate 56-95-1 DTXSID7032345 Antagonist ER Pathway Model, Agonist ACC 10.4480936495262 uM CC(O)=O.CC(O)=O.ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1 Chlorhexidine diacetate 56-95-1|Chlorhexidine diacetate|1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide)diacetate|1,6-Bis(5-(p-chlorophenyl)biguandino)hexane diacetate|1,6-Bis(p-chlorophenylbiguanido)hexane diacetate|1,6-Di(4'-chlorophenyldiguanidino)hexane diacetate|10,040 Diacetate|2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, acetate (1:2)|Bactigras|Biguanide, 1,1'-hexamethylenebis[5-(p-chlorophenyl)-, diacetate 2,4,11,13-|Bis(p-chlorophenyldiguanidohexane) diacetate|Caswell No. 481E|Chlorhexidine acetate|Chlorohexidine diacetate|EINECS 200-302-4|EPA Pesticide Chemical Code 045502|Hibitane diacetate|NSC 526936|Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, diacetate|UNII-5908ZUF22Y|36466-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032345 https://doi.org/10.22427/NTP-DATA-DTXSID7032345
ERPathway2016 ERPathway2016_55 Chlorhexidine diacetate 56-95-1 DTXSID7032345 Antagonist ER Pathway Model, Agonist Model Score 0.00201 Unitless CC(O)=O.CC(O)=O.ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1 Chlorhexidine diacetate 56-95-1|Chlorhexidine diacetate|1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide)diacetate|1,6-Bis(5-(p-chlorophenyl)biguandino)hexane diacetate|1,6-Bis(p-chlorophenylbiguanido)hexane diacetate|1,6-Di(4'-chlorophenyldiguanidino)hexane diacetate|10,040 Diacetate|2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, acetate (1:2)|Bactigras|Biguanide, 1,1'-hexamethylenebis[5-(p-chlorophenyl)-, diacetate 2,4,11,13-|Bis(p-chlorophenyldiguanidohexane) diacetate|Caswell No. 481E|Chlorhexidine acetate|Chlorohexidine diacetate|EINECS 200-302-4|EPA Pesticide Chemical Code 045502|Hibitane diacetate|NSC 526936|Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, diacetate|UNII-5908ZUF22Y|36466-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032345 https://doi.org/10.22427/NTP-DATA-DTXSID7032345
ERPathway2016 ERPathway2016_55 Chlorhexidine diacetate 56-95-1 DTXSID7032345 Antagonist ER Pathway Model, Antagonist Model Score 0.132 Unitless CC(O)=O.CC(O)=O.ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1 Chlorhexidine diacetate 56-95-1|Chlorhexidine diacetate|1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide)diacetate|1,6-Bis(5-(p-chlorophenyl)biguandino)hexane diacetate|1,6-Bis(p-chlorophenylbiguanido)hexane diacetate|1,6-Di(4'-chlorophenyldiguanidino)hexane diacetate|10,040 Diacetate|2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, acetate (1:2)|Bactigras|Biguanide, 1,1'-hexamethylenebis[5-(p-chlorophenyl)-, diacetate 2,4,11,13-|Bis(p-chlorophenyldiguanidohexane) diacetate|Caswell No. 481E|Chlorhexidine acetate|Chlorohexidine diacetate|EINECS 200-302-4|EPA Pesticide Chemical Code 045502|Hibitane diacetate|NSC 526936|Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, diacetate|UNII-5908ZUF22Y|36466-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032345 https://doi.org/10.22427/NTP-DATA-DTXSID7032345
ERPathway2016 ERPathway2016_55 Chlorhexidine diacetate 56-95-1 DTXSID7032345 Antagonist ER Pathway Model, Agonist Call Active Unitless CC(O)=O.CC(O)=O.ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1 Chlorhexidine diacetate 56-95-1|Chlorhexidine diacetate|1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide)diacetate|1,6-Bis(5-(p-chlorophenyl)biguandino)hexane diacetate|1,6-Bis(p-chlorophenylbiguanido)hexane diacetate|1,6-Di(4'-chlorophenyldiguanidino)hexane diacetate|10,040 Diacetate|2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, acetate (1:2)|Bactigras|Biguanide, 1,1'-hexamethylenebis[5-(p-chlorophenyl)-, diacetate 2,4,11,13-|Bis(p-chlorophenyldiguanidohexane) diacetate|Caswell No. 481E|Chlorhexidine acetate|Chlorohexidine diacetate|EINECS 200-302-4|EPA Pesticide Chemical Code 045502|Hibitane diacetate|NSC 526936|Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, diacetate|UNII-5908ZUF22Y|36466-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032345 https://doi.org/10.22427/NTP-DATA-DTXSID7032345
ERPathway2016 ERPathway2016_55 Chlorhexidine diacetate 56-95-1 DTXSID7032345 Antagonist ER Pathway Model, Antagonist Call Inactive Unitless CC(O)=O.CC(O)=O.ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1 Chlorhexidine diacetate 56-95-1|Chlorhexidine diacetate|1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) diacetate|1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide)diacetate|1,6-Bis(5-(p-chlorophenyl)biguandino)hexane diacetate|1,6-Bis(p-chlorophenylbiguanido)hexane diacetate|1,6-Di(4'-chlorophenyldiguanidino)hexane diacetate|10,040 Diacetate|2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, acetate (1:2)|Bactigras|Biguanide, 1,1'-hexamethylenebis[5-(p-chlorophenyl)-, diacetate 2,4,11,13-|Bis(p-chlorophenyldiguanidohexane) diacetate|Caswell No. 481E|Chlorhexidine acetate|Chlorohexidine diacetate|EINECS 200-302-4|EPA Pesticide Chemical Code 045502|Hibitane diacetate|NSC 526936|Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, diacetate|UNII-5908ZUF22Y|36466-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032345 https://doi.org/10.22427/NTP-DATA-DTXSID7032345
ARPathway2016 ARPathway2016_931 Chloridazon 1698-60-8 DTXSID3034872 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=C(Cl)C(=O)N(N=C1)C1=CC=CC=C1 Chloridazon 1698-60-8|Chloridazon|1-Fenyl-4-amino-5-chlor-6-pyridazinon|1-Phenyl-4-amino-5-chloro-6-pyridazone|1-Phenyl-4-amino-5-chloro-6(1H)-pyridazinone|1-Phenyl-4-amino-5-chloropyridaz-6-one|1-Phenyl-4-amino-5-chloropyridazin-6-one|1-Phenyl-4-amino-5-chloropyridazone-6|1-Phenyl-4-amino-5-chlorpyridaz-6-one|1-Phenyl-4-amino-5-chlorpyridazon-(6)|3(2H)-Pyridazinone, 5-amino-4-chloro-2-phenyl-|4-Amino-5-chloro-1-phenyl-6-pyridazinone|4-Amino-5-chloro-1-phenyl-6-pyridazone|4-Amino-5-chloro-1-phenylpyridazone|5-25-14-00196|5-Amino-4-chloro-2-phenyl-2H-pyridazin-3-one|5-Amino-4-chloro-2-phenyl-3-pyridazinone|5-Amino-4-chloro-2-phenyl-3(2H)-pyridazinone|5-Amino-4-chloro-2-phenyl-3(2H)-pyridazone|5-Amino-4-chloro-2-phenylpyridazin-3(2H)-one|5-amino-4-chloro-2-phenylpyridazine-3-(2H)-one|5-Amino-4-chloro-2-phenylpyridazinone|5-Amino-4-chloro-2,3-dihydro-3-oxo-2-phenylpyridazine|BAS 1191611|Betoxon|BRN 0397241|Caswell No. 714C|chloridazon|Chloridazone|cloridazon|Clorizol|Curbetan|EC No.: 216-920-2|EINECS 216-920-2|EPA Pesticide Chemical Code 069601||58858-18-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034872
ARPathway2016 ARPathway2016_931 Chloridazon 1698-60-8 DTXSID3034872 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=C(Cl)C(=O)N(N=C1)C1=CC=CC=C1 Chloridazon 1698-60-8|Chloridazon|1-Fenyl-4-amino-5-chlor-6-pyridazinon|1-Phenyl-4-amino-5-chloro-6-pyridazone|1-Phenyl-4-amino-5-chloro-6(1H)-pyridazinone|1-Phenyl-4-amino-5-chloropyridaz-6-one|1-Phenyl-4-amino-5-chloropyridazin-6-one|1-Phenyl-4-amino-5-chloropyridazone-6|1-Phenyl-4-amino-5-chlorpyridaz-6-one|1-Phenyl-4-amino-5-chlorpyridazon-(6)|3(2H)-Pyridazinone, 5-amino-4-chloro-2-phenyl-|4-Amino-5-chloro-1-phenyl-6-pyridazinone|4-Amino-5-chloro-1-phenyl-6-pyridazone|4-Amino-5-chloro-1-phenylpyridazone|5-25-14-00196|5-Amino-4-chloro-2-phenyl-2H-pyridazin-3-one|5-Amino-4-chloro-2-phenyl-3-pyridazinone|5-Amino-4-chloro-2-phenyl-3(2H)-pyridazinone|5-Amino-4-chloro-2-phenyl-3(2H)-pyridazone|5-Amino-4-chloro-2-phenylpyridazin-3(2H)-one|5-amino-4-chloro-2-phenylpyridazine-3-(2H)-one|5-Amino-4-chloro-2-phenylpyridazinone|5-Amino-4-chloro-2,3-dihydro-3-oxo-2-phenylpyridazine|BAS 1191611|Betoxon|BRN 0397241|Caswell No. 714C|chloridazon|Chloridazone|cloridazon|Clorizol|Curbetan|EC No.: 216-920-2|EINECS 216-920-2|EPA Pesticide Chemical Code 069601||58858-18-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034872
ARPathway2016 ARPathway2016_931 Chloridazon 1698-60-8 DTXSID3034872 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=C(Cl)C(=O)N(N=C1)C1=CC=CC=C1 Chloridazon 1698-60-8|Chloridazon|1-Fenyl-4-amino-5-chlor-6-pyridazinon|1-Phenyl-4-amino-5-chloro-6-pyridazone|1-Phenyl-4-amino-5-chloro-6(1H)-pyridazinone|1-Phenyl-4-amino-5-chloropyridaz-6-one|1-Phenyl-4-amino-5-chloropyridazin-6-one|1-Phenyl-4-amino-5-chloropyridazone-6|1-Phenyl-4-amino-5-chlorpyridaz-6-one|1-Phenyl-4-amino-5-chlorpyridazon-(6)|3(2H)-Pyridazinone, 5-amino-4-chloro-2-phenyl-|4-Amino-5-chloro-1-phenyl-6-pyridazinone|4-Amino-5-chloro-1-phenyl-6-pyridazone|4-Amino-5-chloro-1-phenylpyridazone|5-25-14-00196|5-Amino-4-chloro-2-phenyl-2H-pyridazin-3-one|5-Amino-4-chloro-2-phenyl-3-pyridazinone|5-Amino-4-chloro-2-phenyl-3(2H)-pyridazinone|5-Amino-4-chloro-2-phenyl-3(2H)-pyridazone|5-Amino-4-chloro-2-phenylpyridazin-3(2H)-one|5-amino-4-chloro-2-phenylpyridazine-3-(2H)-one|5-Amino-4-chloro-2-phenylpyridazinone|5-Amino-4-chloro-2,3-dihydro-3-oxo-2-phenylpyridazine|BAS 1191611|Betoxon|BRN 0397241|Caswell No. 714C|chloridazon|Chloridazone|cloridazon|Clorizol|Curbetan|EC No.: 216-920-2|EINECS 216-920-2|EPA Pesticide Chemical Code 069601||58858-18-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034872
ARPathway2016 ARPathway2016_931 Chloridazon 1698-60-8 DTXSID3034872 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=C(Cl)C(=O)N(N=C1)C1=CC=CC=C1 Chloridazon 1698-60-8|Chloridazon|1-Fenyl-4-amino-5-chlor-6-pyridazinon|1-Phenyl-4-amino-5-chloro-6-pyridazone|1-Phenyl-4-amino-5-chloro-6(1H)-pyridazinone|1-Phenyl-4-amino-5-chloropyridaz-6-one|1-Phenyl-4-amino-5-chloropyridazin-6-one|1-Phenyl-4-amino-5-chloropyridazone-6|1-Phenyl-4-amino-5-chlorpyridaz-6-one|1-Phenyl-4-amino-5-chlorpyridazon-(6)|3(2H)-Pyridazinone, 5-amino-4-chloro-2-phenyl-|4-Amino-5-chloro-1-phenyl-6-pyridazinone|4-Amino-5-chloro-1-phenyl-6-pyridazone|4-Amino-5-chloro-1-phenylpyridazone|5-25-14-00196|5-Amino-4-chloro-2-phenyl-2H-pyridazin-3-one|5-Amino-4-chloro-2-phenyl-3-pyridazinone|5-Amino-4-chloro-2-phenyl-3(2H)-pyridazinone|5-Amino-4-chloro-2-phenyl-3(2H)-pyridazone|5-Amino-4-chloro-2-phenylpyridazin-3(2H)-one|5-amino-4-chloro-2-phenylpyridazine-3-(2H)-one|5-Amino-4-chloro-2-phenylpyridazinone|5-Amino-4-chloro-2,3-dihydro-3-oxo-2-phenylpyridazine|BAS 1191611|Betoxon|BRN 0397241|Caswell No. 714C|chloridazon|Chloridazone|cloridazon|Clorizol|Curbetan|EC No.: 216-920-2|EINECS 216-920-2|EPA Pesticide Chemical Code 069601||58858-18-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034872
ERPathway2016 ERPathway2016_1345 Chloridazon 1698-60-8 DTXSID3034872 ER Pathway Model, Agonist Model Score 0 Unitless NC1=C(Cl)C(=O)N(N=C1)C1=CC=CC=C1 Chloridazon 1698-60-8|Chloridazon|1-Fenyl-4-amino-5-chlor-6-pyridazinon|1-Phenyl-4-amino-5-chloro-6-pyridazone|1-Phenyl-4-amino-5-chloro-6(1H)-pyridazinone|1-Phenyl-4-amino-5-chloropyridaz-6-one|1-Phenyl-4-amino-5-chloropyridazin-6-one|1-Phenyl-4-amino-5-chloropyridazone-6|1-Phenyl-4-amino-5-chlorpyridaz-6-one|1-Phenyl-4-amino-5-chlorpyridazon-(6)|3(2H)-Pyridazinone, 5-amino-4-chloro-2-phenyl-|4-Amino-5-chloro-1-phenyl-6-pyridazinone|4-Amino-5-chloro-1-phenyl-6-pyridazone|4-Amino-5-chloro-1-phenylpyridazone|5-25-14-00196|5-Amino-4-chloro-2-phenyl-2H-pyridazin-3-one|5-Amino-4-chloro-2-phenyl-3-pyridazinone|5-Amino-4-chloro-2-phenyl-3(2H)-pyridazinone|5-Amino-4-chloro-2-phenyl-3(2H)-pyridazone|5-Amino-4-chloro-2-phenylpyridazin-3(2H)-one|5-amino-4-chloro-2-phenylpyridazine-3-(2H)-one|5-Amino-4-chloro-2-phenylpyridazinone|5-Amino-4-chloro-2,3-dihydro-3-oxo-2-phenylpyridazine|BAS 1191611|Betoxon|BRN 0397241|Caswell No. 714C|chloridazon|Chloridazone|cloridazon|Clorizol|Curbetan|EC No.: 216-920-2|EINECS 216-920-2|EPA Pesticide Chemical Code 069601||58858-18-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034872
ERPathway2016 ERPathway2016_1345 Chloridazon 1698-60-8 DTXSID3034872 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=C(Cl)C(=O)N(N=C1)C1=CC=CC=C1 Chloridazon 1698-60-8|Chloridazon|1-Fenyl-4-amino-5-chlor-6-pyridazinon|1-Phenyl-4-amino-5-chloro-6-pyridazone|1-Phenyl-4-amino-5-chloro-6(1H)-pyridazinone|1-Phenyl-4-amino-5-chloropyridaz-6-one|1-Phenyl-4-amino-5-chloropyridazin-6-one|1-Phenyl-4-amino-5-chloropyridazone-6|1-Phenyl-4-amino-5-chlorpyridaz-6-one|1-Phenyl-4-amino-5-chlorpyridazon-(6)|3(2H)-Pyridazinone, 5-amino-4-chloro-2-phenyl-|4-Amino-5-chloro-1-phenyl-6-pyridazinone|4-Amino-5-chloro-1-phenyl-6-pyridazone|4-Amino-5-chloro-1-phenylpyridazone|5-25-14-00196|5-Amino-4-chloro-2-phenyl-2H-pyridazin-3-one|5-Amino-4-chloro-2-phenyl-3-pyridazinone|5-Amino-4-chloro-2-phenyl-3(2H)-pyridazinone|5-Amino-4-chloro-2-phenyl-3(2H)-pyridazone|5-Amino-4-chloro-2-phenylpyridazin-3(2H)-one|5-amino-4-chloro-2-phenylpyridazine-3-(2H)-one|5-Amino-4-chloro-2-phenylpyridazinone|5-Amino-4-chloro-2,3-dihydro-3-oxo-2-phenylpyridazine|BAS 1191611|Betoxon|BRN 0397241|Caswell No. 714C|chloridazon|Chloridazone|cloridazon|Clorizol|Curbetan|EC No.: 216-920-2|EINECS 216-920-2|EPA Pesticide Chemical Code 069601||58858-18-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034872
ERPathway2016 ERPathway2016_1345 Chloridazon 1698-60-8 DTXSID3034872 ER Pathway Model, Agonist Call Inactive Unitless NC1=C(Cl)C(=O)N(N=C1)C1=CC=CC=C1 Chloridazon 1698-60-8|Chloridazon|1-Fenyl-4-amino-5-chlor-6-pyridazinon|1-Phenyl-4-amino-5-chloro-6-pyridazone|1-Phenyl-4-amino-5-chloro-6(1H)-pyridazinone|1-Phenyl-4-amino-5-chloropyridaz-6-one|1-Phenyl-4-amino-5-chloropyridazin-6-one|1-Phenyl-4-amino-5-chloropyridazone-6|1-Phenyl-4-amino-5-chlorpyridaz-6-one|1-Phenyl-4-amino-5-chlorpyridazon-(6)|3(2H)-Pyridazinone, 5-amino-4-chloro-2-phenyl-|4-Amino-5-chloro-1-phenyl-6-pyridazinone|4-Amino-5-chloro-1-phenyl-6-pyridazone|4-Amino-5-chloro-1-phenylpyridazone|5-25-14-00196|5-Amino-4-chloro-2-phenyl-2H-pyridazin-3-one|5-Amino-4-chloro-2-phenyl-3-pyridazinone|5-Amino-4-chloro-2-phenyl-3(2H)-pyridazinone|5-Amino-4-chloro-2-phenyl-3(2H)-pyridazone|5-Amino-4-chloro-2-phenylpyridazin-3(2H)-one|5-amino-4-chloro-2-phenylpyridazine-3-(2H)-one|5-Amino-4-chloro-2-phenylpyridazinone|5-Amino-4-chloro-2,3-dihydro-3-oxo-2-phenylpyridazine|BAS 1191611|Betoxon|BRN 0397241|Caswell No. 714C|chloridazon|Chloridazone|cloridazon|Clorizol|Curbetan|EC No.: 216-920-2|EINECS 216-920-2|EPA Pesticide Chemical Code 069601||58858-18-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034872
ERPathway2016 ERPathway2016_1345 Chloridazon 1698-60-8 DTXSID3034872 ER Pathway Model, Antagonist Call Inactive Unitless NC1=C(Cl)C(=O)N(N=C1)C1=CC=CC=C1 Chloridazon 1698-60-8|Chloridazon|1-Fenyl-4-amino-5-chlor-6-pyridazinon|1-Phenyl-4-amino-5-chloro-6-pyridazone|1-Phenyl-4-amino-5-chloro-6(1H)-pyridazinone|1-Phenyl-4-amino-5-chloropyridaz-6-one|1-Phenyl-4-amino-5-chloropyridazin-6-one|1-Phenyl-4-amino-5-chloropyridazone-6|1-Phenyl-4-amino-5-chlorpyridaz-6-one|1-Phenyl-4-amino-5-chlorpyridazon-(6)|3(2H)-Pyridazinone, 5-amino-4-chloro-2-phenyl-|4-Amino-5-chloro-1-phenyl-6-pyridazinone|4-Amino-5-chloro-1-phenyl-6-pyridazone|4-Amino-5-chloro-1-phenylpyridazone|5-25-14-00196|5-Amino-4-chloro-2-phenyl-2H-pyridazin-3-one|5-Amino-4-chloro-2-phenyl-3-pyridazinone|5-Amino-4-chloro-2-phenyl-3(2H)-pyridazinone|5-Amino-4-chloro-2-phenyl-3(2H)-pyridazone|5-Amino-4-chloro-2-phenylpyridazin-3(2H)-one|5-amino-4-chloro-2-phenylpyridazine-3-(2H)-one|5-Amino-4-chloro-2-phenylpyridazinone|5-Amino-4-chloro-2,3-dihydro-3-oxo-2-phenylpyridazine|BAS 1191611|Betoxon|BRN 0397241|Caswell No. 714C|chloridazon|Chloridazone|cloridazon|Clorizol|Curbetan|EC No.: 216-920-2|EINECS 216-920-2|EPA Pesticide Chemical Code 069601||58858-18-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034872
ARPathway2016 ARPathway2016_194 Chloroallyl methenamine chloride 51229-78-8 DTXSID0035748 2.0 A2 AR Pathway Model, Agonist AC50 88.08310039 uM [Cl-].ClC=C/C[N+]12CN3CN(CN(C3)C1)C2 Chloroallyl methenamine chloride 51229-78-8|Chloroallyl methenamine chloride|1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride, cis form|3,5,7-Triazatricyclo(3.3.1.1(superscript 3,7))decane, 1-(3-chloro-2-propenyl)-, chloride, (Z)-|cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride|cis-N-(3-Chloroallyl) hexaminium chloride|Hexamethylenetetramine cis-chloroallyl chloride|Quaternium-15|UNII-LIT014L4RH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035748
ARPathway2016 ARPathway2016_194 Chloroallyl methenamine chloride 51229-78-8 DTXSID0035748 2.0 A2 AR Pathway Model, Agonist ACC 8.64900672367284 uM [Cl-].ClC=C/C[N+]12CN3CN(CN(C3)C1)C2 Chloroallyl methenamine chloride 51229-78-8|Chloroallyl methenamine chloride|1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride, cis form|3,5,7-Triazatricyclo(3.3.1.1(superscript 3,7))decane, 1-(3-chloro-2-propenyl)-, chloride, (Z)-|cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride|cis-N-(3-Chloroallyl) hexaminium chloride|Hexamethylenetetramine cis-chloroallyl chloride|Quaternium-15|UNII-LIT014L4RH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035748
ARPathway2016 ARPathway2016_194 Chloroallyl methenamine chloride 51229-78-8 DTXSID0035748 2.0 A2 AR Pathway Model, Antagonist Model Score 0.0337 Unitless [Cl-].ClC=C/C[N+]12CN3CN(CN(C3)C1)C2 Chloroallyl methenamine chloride 51229-78-8|Chloroallyl methenamine chloride|1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride, cis form|3,5,7-Triazatricyclo(3.3.1.1(superscript 3,7))decane, 1-(3-chloro-2-propenyl)-, chloride, (Z)-|cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride|cis-N-(3-Chloroallyl) hexaminium chloride|Hexamethylenetetramine cis-chloroallyl chloride|Quaternium-15|UNII-LIT014L4RH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035748
ARPathway2016 ARPathway2016_194 Chloroallyl methenamine chloride 51229-78-8 DTXSID0035748 2.0 A2 AR Pathway Model, Agonist Model Score 0.0169 Unitless [Cl-].ClC=C/C[N+]12CN3CN(CN(C3)C1)C2 Chloroallyl methenamine chloride 51229-78-8|Chloroallyl methenamine chloride|1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride, cis form|3,5,7-Triazatricyclo(3.3.1.1(superscript 3,7))decane, 1-(3-chloro-2-propenyl)-, chloride, (Z)-|cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride|cis-N-(3-Chloroallyl) hexaminium chloride|Hexamethylenetetramine cis-chloroallyl chloride|Quaternium-15|UNII-LIT014L4RH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035748
ARPathway2016 ARPathway2016_194 Chloroallyl methenamine chloride 51229-78-8 DTXSID0035748 2.0 A2 AR Pathway Model, Agonist Call Active Unitless [Cl-].ClC=C/C[N+]12CN3CN(CN(C3)C1)C2 Chloroallyl methenamine chloride 51229-78-8|Chloroallyl methenamine chloride|1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride, cis form|3,5,7-Triazatricyclo(3.3.1.1(superscript 3,7))decane, 1-(3-chloro-2-propenyl)-, chloride, (Z)-|cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride|cis-N-(3-Chloroallyl) hexaminium chloride|Hexamethylenetetramine cis-chloroallyl chloride|Quaternium-15|UNII-LIT014L4RH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035748
ARPathway2016 ARPathway2016_194 Chloroallyl methenamine chloride 51229-78-8 DTXSID0035748 2.0 A2 AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].ClC=C/C[N+]12CN3CN(CN(C3)C1)C2 Chloroallyl methenamine chloride 51229-78-8|Chloroallyl methenamine chloride|1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride, cis form|3,5,7-Triazatricyclo(3.3.1.1(superscript 3,7))decane, 1-(3-chloro-2-propenyl)-, chloride, (Z)-|cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride|cis-N-(3-Chloroallyl) hexaminium chloride|Hexamethylenetetramine cis-chloroallyl chloride|Quaternium-15|UNII-LIT014L4RH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035748
ERPathway2016 ERPathway2016_61 Chloroallyl methenamine chloride 51229-78-8 DTXSID0035748 ER Pathway Model, Agonist AC50 33.0600013516662 uM [Cl-].ClC=C/C[N+]12CN3CN(CN(C3)C1)C2 Chloroallyl methenamine chloride 51229-78-8|Chloroallyl methenamine chloride|1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride, cis form|3,5,7-Triazatricyclo(3.3.1.1(superscript 3,7))decane, 1-(3-chloro-2-propenyl)-, chloride, (Z)-|cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride|cis-N-(3-Chloroallyl) hexaminium chloride|Hexamethylenetetramine cis-chloroallyl chloride|Quaternium-15|UNII-LIT014L4RH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035748
ERPathway2016 ERPathway2016_61 Chloroallyl methenamine chloride 51229-78-8 DTXSID0035748 ER Pathway Model, Agonist ACC 34.2177971752606 uM [Cl-].ClC=C/C[N+]12CN3CN(CN(C3)C1)C2 Chloroallyl methenamine chloride 51229-78-8|Chloroallyl methenamine chloride|1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride, cis form|3,5,7-Triazatricyclo(3.3.1.1(superscript 3,7))decane, 1-(3-chloro-2-propenyl)-, chloride, (Z)-|cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride|cis-N-(3-Chloroallyl) hexaminium chloride|Hexamethylenetetramine cis-chloroallyl chloride|Quaternium-15|UNII-LIT014L4RH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035748
ERPathway2016 ERPathway2016_61 Chloroallyl methenamine chloride 51229-78-8 DTXSID0035748 ER Pathway Model, Agonist Model Score 0.00109 Unitless [Cl-].ClC=C/C[N+]12CN3CN(CN(C3)C1)C2 Chloroallyl methenamine chloride 51229-78-8|Chloroallyl methenamine chloride|1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride, cis form|3,5,7-Triazatricyclo(3.3.1.1(superscript 3,7))decane, 1-(3-chloro-2-propenyl)-, chloride, (Z)-|cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride|cis-N-(3-Chloroallyl) hexaminium chloride|Hexamethylenetetramine cis-chloroallyl chloride|Quaternium-15|UNII-LIT014L4RH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035748
ERPathway2016 ERPathway2016_61 Chloroallyl methenamine chloride 51229-78-8 DTXSID0035748 ER Pathway Model, Antagonist Model Score 0.00343 Unitless [Cl-].ClC=C/C[N+]12CN3CN(CN(C3)C1)C2 Chloroallyl methenamine chloride 51229-78-8|Chloroallyl methenamine chloride|1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride, cis form|3,5,7-Triazatricyclo(3.3.1.1(superscript 3,7))decane, 1-(3-chloro-2-propenyl)-, chloride, (Z)-|cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride|cis-N-(3-Chloroallyl) hexaminium chloride|Hexamethylenetetramine cis-chloroallyl chloride|Quaternium-15|UNII-LIT014L4RH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035748
ERPathway2016 ERPathway2016_61 Chloroallyl methenamine chloride 51229-78-8 DTXSID0035748 ER Pathway Model, Agonist Call Active Unitless [Cl-].ClC=C/C[N+]12CN3CN(CN(C3)C1)C2 Chloroallyl methenamine chloride 51229-78-8|Chloroallyl methenamine chloride|1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride, cis form|3,5,7-Triazatricyclo(3.3.1.1(superscript 3,7))decane, 1-(3-chloro-2-propenyl)-, chloride, (Z)-|cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride|cis-N-(3-Chloroallyl) hexaminium chloride|Hexamethylenetetramine cis-chloroallyl chloride|Quaternium-15|UNII-LIT014L4RH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035748
ERPathway2016 ERPathway2016_61 Chloroallyl methenamine chloride 51229-78-8 DTXSID0035748 ER Pathway Model, Antagonist Call Inactive Unitless [Cl-].ClC=C/C[N+]12CN3CN(CN(C3)C1)C2 Chloroallyl methenamine chloride 51229-78-8|Chloroallyl methenamine chloride|1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride, cis form|3,5,7-Triazatricyclo(3.3.1.1(superscript 3,7))decane, 1-(3-chloro-2-propenyl)-, chloride, (Z)-|cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride|cis-N-(3-Chloroallyl) hexaminium chloride|Hexamethylenetetramine cis-chloroallyl chloride|Quaternium-15|UNII-LIT014L4RH https://comptox.epa.gov/dashboard/chemical/details/DTXSID0035748
ARPathway2016 ARPathway2016_193 Chlorobenzilate 510-15-6 DTXSID9020299 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 21.2311928294081 uM CCOC(=O)C(O)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 Chlorobenzilate 510-15-6|Chlorobenzilate|4-10-00-01275|4-Chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetic acid ethyl ester|4,4'-Dichlorbenzilsaeureaethylester|4,4'-Dichlorobenzilic acid ethyl ester|Acaraben|Acaraben 4E|Benz-O-chlor|Benzilan|BRN 2755859|Caswell No. 434|Chlorbenzilat|Chlorbenzilate|Chlorbenzylate|Chlorobenzylate|Compound 338|EINECS 208-110-2|EPA Pesticide Chemical Code 028801|Ethyl 2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl 2-hydroxy-2,2-di(p-chlorophenyl)acetate|Ethyl 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetate|Ethyl 4,4'-dichlorodiphenyl glycollate|Ethyl 4,4'-dichlorophenyl glycollate|Ethyl di(p-chlorophenyl)glycollate|Ethyl ester of 4,4'-dichlorobenzilic acid|Ethyl p,p'-dichlorobenzilate|Ethyl-2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl-4,4'-dichlorobenzilate|Ethyldichlorobenzilate|Ethylester kyseliny 4,4-dichlorbenzilove|Folbex smoke-strips|Kop-mite|NCI-C00408|NCI-C60413|NSC 404460|RCRA waste number U038|UNII-H850P004CZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020299 https://doi.org/10.22427/NTP-DATA-DTXSID9020299
ARPathway2016 ARPathway2016_193 Chlorobenzilate 510-15-6 DTXSID9020299 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 21.7822862202134 uM CCOC(=O)C(O)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 Chlorobenzilate 510-15-6|Chlorobenzilate|4-10-00-01275|4-Chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetic acid ethyl ester|4,4'-Dichlorbenzilsaeureaethylester|4,4'-Dichlorobenzilic acid ethyl ester|Acaraben|Acaraben 4E|Benz-O-chlor|Benzilan|BRN 2755859|Caswell No. 434|Chlorbenzilat|Chlorbenzilate|Chlorbenzylate|Chlorobenzylate|Compound 338|EINECS 208-110-2|EPA Pesticide Chemical Code 028801|Ethyl 2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl 2-hydroxy-2,2-di(p-chlorophenyl)acetate|Ethyl 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetate|Ethyl 4,4'-dichlorodiphenyl glycollate|Ethyl 4,4'-dichlorophenyl glycollate|Ethyl di(p-chlorophenyl)glycollate|Ethyl ester of 4,4'-dichlorobenzilic acid|Ethyl p,p'-dichlorobenzilate|Ethyl-2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl-4,4'-dichlorobenzilate|Ethyldichlorobenzilate|Ethylester kyseliny 4,4-dichlorbenzilove|Folbex smoke-strips|Kop-mite|NCI-C00408|NCI-C60413|NSC 404460|RCRA waste number U038|UNII-H850P004CZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020299 https://doi.org/10.22427/NTP-DATA-DTXSID9020299
ARPathway2016 ARPathway2016_193 Chlorobenzilate 510-15-6 DTXSID9020299 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.325 Unitless CCOC(=O)C(O)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 Chlorobenzilate 510-15-6|Chlorobenzilate|4-10-00-01275|4-Chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetic acid ethyl ester|4,4'-Dichlorbenzilsaeureaethylester|4,4'-Dichlorobenzilic acid ethyl ester|Acaraben|Acaraben 4E|Benz-O-chlor|Benzilan|BRN 2755859|Caswell No. 434|Chlorbenzilat|Chlorbenzilate|Chlorbenzylate|Chlorobenzylate|Compound 338|EINECS 208-110-2|EPA Pesticide Chemical Code 028801|Ethyl 2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl 2-hydroxy-2,2-di(p-chlorophenyl)acetate|Ethyl 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetate|Ethyl 4,4'-dichlorodiphenyl glycollate|Ethyl 4,4'-dichlorophenyl glycollate|Ethyl di(p-chlorophenyl)glycollate|Ethyl ester of 4,4'-dichlorobenzilic acid|Ethyl p,p'-dichlorobenzilate|Ethyl-2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl-4,4'-dichlorobenzilate|Ethyldichlorobenzilate|Ethylester kyseliny 4,4-dichlorbenzilove|Folbex smoke-strips|Kop-mite|NCI-C00408|NCI-C60413|NSC 404460|RCRA waste number U038|UNII-H850P004CZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020299 https://doi.org/10.22427/NTP-DATA-DTXSID9020299
ARPathway2016 ARPathway2016_193 Chlorobenzilate 510-15-6 DTXSID9020299 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C(O)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 Chlorobenzilate 510-15-6|Chlorobenzilate|4-10-00-01275|4-Chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetic acid ethyl ester|4,4'-Dichlorbenzilsaeureaethylester|4,4'-Dichlorobenzilic acid ethyl ester|Acaraben|Acaraben 4E|Benz-O-chlor|Benzilan|BRN 2755859|Caswell No. 434|Chlorbenzilat|Chlorbenzilate|Chlorbenzylate|Chlorobenzylate|Compound 338|EINECS 208-110-2|EPA Pesticide Chemical Code 028801|Ethyl 2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl 2-hydroxy-2,2-di(p-chlorophenyl)acetate|Ethyl 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetate|Ethyl 4,4'-dichlorodiphenyl glycollate|Ethyl 4,4'-dichlorophenyl glycollate|Ethyl di(p-chlorophenyl)glycollate|Ethyl ester of 4,4'-dichlorobenzilic acid|Ethyl p,p'-dichlorobenzilate|Ethyl-2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl-4,4'-dichlorobenzilate|Ethyldichlorobenzilate|Ethylester kyseliny 4,4-dichlorbenzilove|Folbex smoke-strips|Kop-mite|NCI-C00408|NCI-C60413|NSC 404460|RCRA waste number U038|UNII-H850P004CZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020299 https://doi.org/10.22427/NTP-DATA-DTXSID9020299
ARPathway2016 ARPathway2016_193 Chlorobenzilate 510-15-6 DTXSID9020299 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCOC(=O)C(O)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 Chlorobenzilate 510-15-6|Chlorobenzilate|4-10-00-01275|4-Chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetic acid ethyl ester|4,4'-Dichlorbenzilsaeureaethylester|4,4'-Dichlorobenzilic acid ethyl ester|Acaraben|Acaraben 4E|Benz-O-chlor|Benzilan|BRN 2755859|Caswell No. 434|Chlorbenzilat|Chlorbenzilate|Chlorbenzylate|Chlorobenzylate|Compound 338|EINECS 208-110-2|EPA Pesticide Chemical Code 028801|Ethyl 2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl 2-hydroxy-2,2-di(p-chlorophenyl)acetate|Ethyl 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetate|Ethyl 4,4'-dichlorodiphenyl glycollate|Ethyl 4,4'-dichlorophenyl glycollate|Ethyl di(p-chlorophenyl)glycollate|Ethyl ester of 4,4'-dichlorobenzilic acid|Ethyl p,p'-dichlorobenzilate|Ethyl-2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl-4,4'-dichlorobenzilate|Ethyldichlorobenzilate|Ethylester kyseliny 4,4-dichlorbenzilove|Folbex smoke-strips|Kop-mite|NCI-C00408|NCI-C60413|NSC 404460|RCRA waste number U038|UNII-H850P004CZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020299 https://doi.org/10.22427/NTP-DATA-DTXSID9020299
ARPathway2016 ARPathway2016_193 Chlorobenzilate 510-15-6 DTXSID9020299 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C(O)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 Chlorobenzilate 510-15-6|Chlorobenzilate|4-10-00-01275|4-Chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetic acid ethyl ester|4,4'-Dichlorbenzilsaeureaethylester|4,4'-Dichlorobenzilic acid ethyl ester|Acaraben|Acaraben 4E|Benz-O-chlor|Benzilan|BRN 2755859|Caswell No. 434|Chlorbenzilat|Chlorbenzilate|Chlorbenzylate|Chlorobenzylate|Compound 338|EINECS 208-110-2|EPA Pesticide Chemical Code 028801|Ethyl 2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl 2-hydroxy-2,2-di(p-chlorophenyl)acetate|Ethyl 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetate|Ethyl 4,4'-dichlorodiphenyl glycollate|Ethyl 4,4'-dichlorophenyl glycollate|Ethyl di(p-chlorophenyl)glycollate|Ethyl ester of 4,4'-dichlorobenzilic acid|Ethyl p,p'-dichlorobenzilate|Ethyl-2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl-4,4'-dichlorobenzilate|Ethyldichlorobenzilate|Ethylester kyseliny 4,4-dichlorbenzilove|Folbex smoke-strips|Kop-mite|NCI-C00408|NCI-C60413|NSC 404460|RCRA waste number U038|UNII-H850P004CZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020299 https://doi.org/10.22427/NTP-DATA-DTXSID9020299
ERPathway2016 ERPathway2016_654 Chlorobenzilate 510-15-6 DTXSID9020299 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C(O)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 Chlorobenzilate 510-15-6|Chlorobenzilate|4-10-00-01275|4-Chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetic acid ethyl ester|4,4'-Dichlorbenzilsaeureaethylester|4,4'-Dichlorobenzilic acid ethyl ester|Acaraben|Acaraben 4E|Benz-O-chlor|Benzilan|BRN 2755859|Caswell No. 434|Chlorbenzilat|Chlorbenzilate|Chlorbenzylate|Chlorobenzylate|Compound 338|EINECS 208-110-2|EPA Pesticide Chemical Code 028801|Ethyl 2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl 2-hydroxy-2,2-di(p-chlorophenyl)acetate|Ethyl 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetate|Ethyl 4,4'-dichlorodiphenyl glycollate|Ethyl 4,4'-dichlorophenyl glycollate|Ethyl di(p-chlorophenyl)glycollate|Ethyl ester of 4,4'-dichlorobenzilic acid|Ethyl p,p'-dichlorobenzilate|Ethyl-2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl-4,4'-dichlorobenzilate|Ethyldichlorobenzilate|Ethylester kyseliny 4,4-dichlorbenzilove|Folbex smoke-strips|Kop-mite|NCI-C00408|NCI-C60413|NSC 404460|RCRA waste number U038|UNII-H850P004CZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020299 https://doi.org/10.22427/NTP-DATA-DTXSID9020299
ERPathway2016 ERPathway2016_654 Chlorobenzilate 510-15-6 DTXSID9020299 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C(O)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 Chlorobenzilate 510-15-6|Chlorobenzilate|4-10-00-01275|4-Chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetic acid ethyl ester|4,4'-Dichlorbenzilsaeureaethylester|4,4'-Dichlorobenzilic acid ethyl ester|Acaraben|Acaraben 4E|Benz-O-chlor|Benzilan|BRN 2755859|Caswell No. 434|Chlorbenzilat|Chlorbenzilate|Chlorbenzylate|Chlorobenzylate|Compound 338|EINECS 208-110-2|EPA Pesticide Chemical Code 028801|Ethyl 2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl 2-hydroxy-2,2-di(p-chlorophenyl)acetate|Ethyl 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetate|Ethyl 4,4'-dichlorodiphenyl glycollate|Ethyl 4,4'-dichlorophenyl glycollate|Ethyl di(p-chlorophenyl)glycollate|Ethyl ester of 4,4'-dichlorobenzilic acid|Ethyl p,p'-dichlorobenzilate|Ethyl-2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl-4,4'-dichlorobenzilate|Ethyldichlorobenzilate|Ethylester kyseliny 4,4-dichlorbenzilove|Folbex smoke-strips|Kop-mite|NCI-C00408|NCI-C60413|NSC 404460|RCRA waste number U038|UNII-H850P004CZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020299 https://doi.org/10.22427/NTP-DATA-DTXSID9020299
ERPathway2016 ERPathway2016_654 Chlorobenzilate 510-15-6 DTXSID9020299 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C(O)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 Chlorobenzilate 510-15-6|Chlorobenzilate|4-10-00-01275|4-Chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetic acid ethyl ester|4,4'-Dichlorbenzilsaeureaethylester|4,4'-Dichlorobenzilic acid ethyl ester|Acaraben|Acaraben 4E|Benz-O-chlor|Benzilan|BRN 2755859|Caswell No. 434|Chlorbenzilat|Chlorbenzilate|Chlorbenzylate|Chlorobenzylate|Compound 338|EINECS 208-110-2|EPA Pesticide Chemical Code 028801|Ethyl 2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl 2-hydroxy-2,2-di(p-chlorophenyl)acetate|Ethyl 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetate|Ethyl 4,4'-dichlorodiphenyl glycollate|Ethyl 4,4'-dichlorophenyl glycollate|Ethyl di(p-chlorophenyl)glycollate|Ethyl ester of 4,4'-dichlorobenzilic acid|Ethyl p,p'-dichlorobenzilate|Ethyl-2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl-4,4'-dichlorobenzilate|Ethyldichlorobenzilate|Ethylester kyseliny 4,4-dichlorbenzilove|Folbex smoke-strips|Kop-mite|NCI-C00408|NCI-C60413|NSC 404460|RCRA waste number U038|UNII-H850P004CZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020299 https://doi.org/10.22427/NTP-DATA-DTXSID9020299
ERPathway2016 ERPathway2016_654 Chlorobenzilate 510-15-6 DTXSID9020299 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C(O)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 Chlorobenzilate 510-15-6|Chlorobenzilate|4-10-00-01275|4-Chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetic acid ethyl ester|4,4'-Dichlorbenzilsaeureaethylester|4,4'-Dichlorobenzilic acid ethyl ester|Acaraben|Acaraben 4E|Benz-O-chlor|Benzilan|BRN 2755859|Caswell No. 434|Chlorbenzilat|Chlorbenzilate|Chlorbenzylate|Chlorobenzylate|Compound 338|EINECS 208-110-2|EPA Pesticide Chemical Code 028801|Ethyl 2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl 2-hydroxy-2,2-di(p-chlorophenyl)acetate|Ethyl 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetate|Ethyl 4,4'-dichlorodiphenyl glycollate|Ethyl 4,4'-dichlorophenyl glycollate|Ethyl di(p-chlorophenyl)glycollate|Ethyl ester of 4,4'-dichlorobenzilic acid|Ethyl p,p'-dichlorobenzilate|Ethyl-2-hydroxy-2,2-bis(4-chlorophenyl)acetate|Ethyl-4,4'-dichlorobenzilate|Ethyldichlorobenzilate|Ethylester kyseliny 4,4-dichlorbenzilove|Folbex smoke-strips|Kop-mite|NCI-C00408|NCI-C60413|NSC 404460|RCRA waste number U038|UNII-H850P004CZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020299 https://doi.org/10.22427/NTP-DATA-DTXSID9020299
ARPathway2016 ARPathway2016_492 Chloromethyl methyl ether 107-30-2 DTXSID6020307 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless COCCl Chloromethyl methyl ether 107-30-2|Chloromethyl methyl ether|(CMME|alpha,alpha-Dichlorodimethyl ether|BRN 0505943|CHLORDIMETHYLAETHER|Chlordimethylether|Chlormethylmethylether|Chlorodimethyl ether|Chloromethoxymethane|clorometil metil eter|Dimethylchloroether|EINECS 203-480-1|Ether methylique monochlore|Ether, chloromethyl methyl|Ether, dimethyl chloro|ETHER, METHYL CHLOROMETHYL|Methane, chloromethoxy-|Methoxychloromethane|Methoxymethyl chloride|Methyl chloromethyl ether|Methylchloromethyl ether|Monochlorodimethyl ether|Monochlorodimethylene ether|Monochloromethyl methyl ether|NSC 21208|NSC 93873|oxyde de chloromethyle et de methyle|RCRA waste number U046|UN 1239|UNII-334G5B96VG|a,a-Dichlorodimethyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020307 https://doi.org/10.22427/NTP-DATA-DTXSID6020307
ARPathway2016 ARPathway2016_492 Chloromethyl methyl ether 107-30-2 DTXSID6020307 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless COCCl Chloromethyl methyl ether 107-30-2|Chloromethyl methyl ether|(CMME|alpha,alpha-Dichlorodimethyl ether|BRN 0505943|CHLORDIMETHYLAETHER|Chlordimethylether|Chlormethylmethylether|Chlorodimethyl ether|Chloromethoxymethane|clorometil metil eter|Dimethylchloroether|EINECS 203-480-1|Ether methylique monochlore|Ether, chloromethyl methyl|Ether, dimethyl chloro|ETHER, METHYL CHLOROMETHYL|Methane, chloromethoxy-|Methoxychloromethane|Methoxymethyl chloride|Methyl chloromethyl ether|Methylchloromethyl ether|Monochlorodimethyl ether|Monochlorodimethylene ether|Monochloromethyl methyl ether|NSC 21208|NSC 93873|oxyde de chloromethyle et de methyle|RCRA waste number U046|UN 1239|UNII-334G5B96VG|a,a-Dichlorodimethyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020307 https://doi.org/10.22427/NTP-DATA-DTXSID6020307
ARPathway2016 ARPathway2016_492 Chloromethyl methyl ether 107-30-2 DTXSID6020307 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless COCCl Chloromethyl methyl ether 107-30-2|Chloromethyl methyl ether|(CMME|alpha,alpha-Dichlorodimethyl ether|BRN 0505943|CHLORDIMETHYLAETHER|Chlordimethylether|Chlormethylmethylether|Chlorodimethyl ether|Chloromethoxymethane|clorometil metil eter|Dimethylchloroether|EINECS 203-480-1|Ether methylique monochlore|Ether, chloromethyl methyl|Ether, dimethyl chloro|ETHER, METHYL CHLOROMETHYL|Methane, chloromethoxy-|Methoxychloromethane|Methoxymethyl chloride|Methyl chloromethyl ether|Methylchloromethyl ether|Monochlorodimethyl ether|Monochlorodimethylene ether|Monochloromethyl methyl ether|NSC 21208|NSC 93873|oxyde de chloromethyle et de methyle|RCRA waste number U046|UN 1239|UNII-334G5B96VG|a,a-Dichlorodimethyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020307 https://doi.org/10.22427/NTP-DATA-DTXSID6020307
ARPathway2016 ARPathway2016_492 Chloromethyl methyl ether 107-30-2 DTXSID6020307 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless COCCl Chloromethyl methyl ether 107-30-2|Chloromethyl methyl ether|(CMME|alpha,alpha-Dichlorodimethyl ether|BRN 0505943|CHLORDIMETHYLAETHER|Chlordimethylether|Chlormethylmethylether|Chlorodimethyl ether|Chloromethoxymethane|clorometil metil eter|Dimethylchloroether|EINECS 203-480-1|Ether methylique monochlore|Ether, chloromethyl methyl|Ether, dimethyl chloro|ETHER, METHYL CHLOROMETHYL|Methane, chloromethoxy-|Methoxychloromethane|Methoxymethyl chloride|Methyl chloromethyl ether|Methylchloromethyl ether|Monochlorodimethyl ether|Monochlorodimethylene ether|Monochloromethyl methyl ether|NSC 21208|NSC 93873|oxyde de chloromethyle et de methyle|RCRA waste number U046|UN 1239|UNII-334G5B96VG|a,a-Dichlorodimethyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020307 https://doi.org/10.22427/NTP-DATA-DTXSID6020307
ERPathway2016 ERPathway2016_306 Chloromethyl methyl ether 107-30-2 DTXSID6020307 R8 ER Pathway Model, Antagonist AC50 27.1891005006345 uM COCCl Chloromethyl methyl ether 107-30-2|Chloromethyl methyl ether|(CMME|alpha,alpha-Dichlorodimethyl ether|BRN 0505943|CHLORDIMETHYLAETHER|Chlordimethylether|Chlormethylmethylether|Chlorodimethyl ether|Chloromethoxymethane|clorometil metil eter|Dimethylchloroether|EINECS 203-480-1|Ether methylique monochlore|Ether, chloromethyl methyl|Ether, dimethyl chloro|ETHER, METHYL CHLOROMETHYL|Methane, chloromethoxy-|Methoxychloromethane|Methoxymethyl chloride|Methyl chloromethyl ether|Methylchloromethyl ether|Monochlorodimethyl ether|Monochlorodimethylene ether|Monochloromethyl methyl ether|NSC 21208|NSC 93873|oxyde de chloromethyle et de methyle|RCRA waste number U046|UN 1239|UNII-334G5B96VG|a,a-Dichlorodimethyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020307 https://doi.org/10.22427/NTP-DATA-DTXSID6020307
ERPathway2016 ERPathway2016_306 Chloromethyl methyl ether 107-30-2 DTXSID6020307 R8 ER Pathway Model, Antagonist ACC 6.11636864757168 uM COCCl Chloromethyl methyl ether 107-30-2|Chloromethyl methyl ether|(CMME|alpha,alpha-Dichlorodimethyl ether|BRN 0505943|CHLORDIMETHYLAETHER|Chlordimethylether|Chlormethylmethylether|Chlorodimethyl ether|Chloromethoxymethane|clorometil metil eter|Dimethylchloroether|EINECS 203-480-1|Ether methylique monochlore|Ether, chloromethyl methyl|Ether, dimethyl chloro|ETHER, METHYL CHLOROMETHYL|Methane, chloromethoxy-|Methoxychloromethane|Methoxymethyl chloride|Methyl chloromethyl ether|Methylchloromethyl ether|Monochlorodimethyl ether|Monochlorodimethylene ether|Monochloromethyl methyl ether|NSC 21208|NSC 93873|oxyde de chloromethyle et de methyle|RCRA waste number U046|UN 1239|UNII-334G5B96VG|a,a-Dichlorodimethyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020307 https://doi.org/10.22427/NTP-DATA-DTXSID6020307
ERPathway2016 ERPathway2016_306 Chloromethyl methyl ether 107-30-2 DTXSID6020307 R8 ER Pathway Model, Agonist Model Score 0.0306 Unitless COCCl Chloromethyl methyl ether 107-30-2|Chloromethyl methyl ether|(CMME|alpha,alpha-Dichlorodimethyl ether|BRN 0505943|CHLORDIMETHYLAETHER|Chlordimethylether|Chlormethylmethylether|Chlorodimethyl ether|Chloromethoxymethane|clorometil metil eter|Dimethylchloroether|EINECS 203-480-1|Ether methylique monochlore|Ether, chloromethyl methyl|Ether, dimethyl chloro|ETHER, METHYL CHLOROMETHYL|Methane, chloromethoxy-|Methoxychloromethane|Methoxymethyl chloride|Methyl chloromethyl ether|Methylchloromethyl ether|Monochlorodimethyl ether|Monochlorodimethylene ether|Monochloromethyl methyl ether|NSC 21208|NSC 93873|oxyde de chloromethyle et de methyle|RCRA waste number U046|UN 1239|UNII-334G5B96VG|a,a-Dichlorodimethyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020307 https://doi.org/10.22427/NTP-DATA-DTXSID6020307
ERPathway2016 ERPathway2016_306 Chloromethyl methyl ether 107-30-2 DTXSID6020307 R8 ER Pathway Model, Antagonist Model Score 0 Unitless COCCl Chloromethyl methyl ether 107-30-2|Chloromethyl methyl ether|(CMME|alpha,alpha-Dichlorodimethyl ether|BRN 0505943|CHLORDIMETHYLAETHER|Chlordimethylether|Chlormethylmethylether|Chlorodimethyl ether|Chloromethoxymethane|clorometil metil eter|Dimethylchloroether|EINECS 203-480-1|Ether methylique monochlore|Ether, chloromethyl methyl|Ether, dimethyl chloro|ETHER, METHYL CHLOROMETHYL|Methane, chloromethoxy-|Methoxychloromethane|Methoxymethyl chloride|Methyl chloromethyl ether|Methylchloromethyl ether|Monochlorodimethyl ether|Monochlorodimethylene ether|Monochloromethyl methyl ether|NSC 21208|NSC 93873|oxyde de chloromethyle et de methyle|RCRA waste number U046|UN 1239|UNII-334G5B96VG|a,a-Dichlorodimethyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020307 https://doi.org/10.22427/NTP-DATA-DTXSID6020307
ERPathway2016 ERPathway2016_306 Chloromethyl methyl ether 107-30-2 DTXSID6020307 R8 ER Pathway Model, Agonist Call Inactive Unitless COCCl Chloromethyl methyl ether 107-30-2|Chloromethyl methyl ether|(CMME|alpha,alpha-Dichlorodimethyl ether|BRN 0505943|CHLORDIMETHYLAETHER|Chlordimethylether|Chlormethylmethylether|Chlorodimethyl ether|Chloromethoxymethane|clorometil metil eter|Dimethylchloroether|EINECS 203-480-1|Ether methylique monochlore|Ether, chloromethyl methyl|Ether, dimethyl chloro|ETHER, METHYL CHLOROMETHYL|Methane, chloromethoxy-|Methoxychloromethane|Methoxymethyl chloride|Methyl chloromethyl ether|Methylchloromethyl ether|Monochlorodimethyl ether|Monochlorodimethylene ether|Monochloromethyl methyl ether|NSC 21208|NSC 93873|oxyde de chloromethyle et de methyle|RCRA waste number U046|UN 1239|UNII-334G5B96VG|a,a-Dichlorodimethyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020307 https://doi.org/10.22427/NTP-DATA-DTXSID6020307
ERPathway2016 ERPathway2016_306 Chloromethyl methyl ether 107-30-2 DTXSID6020307 R8 ER Pathway Model, Antagonist Call Active Unitless COCCl Chloromethyl methyl ether 107-30-2|Chloromethyl methyl ether|(CMME|alpha,alpha-Dichlorodimethyl ether|BRN 0505943|CHLORDIMETHYLAETHER|Chlordimethylether|Chlormethylmethylether|Chlorodimethyl ether|Chloromethoxymethane|clorometil metil eter|Dimethylchloroether|EINECS 203-480-1|Ether methylique monochlore|Ether, chloromethyl methyl|Ether, dimethyl chloro|ETHER, METHYL CHLOROMETHYL|Methane, chloromethoxy-|Methoxychloromethane|Methoxymethyl chloride|Methyl chloromethyl ether|Methylchloromethyl ether|Monochlorodimethyl ether|Monochlorodimethylene ether|Monochloromethyl methyl ether|NSC 21208|NSC 93873|oxyde de chloromethyle et de methyle|RCRA waste number U046|UN 1239|UNII-334G5B96VG|a,a-Dichlorodimethyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020307 https://doi.org/10.22427/NTP-DATA-DTXSID6020307
ARPathway2016 ARPathway2016_1079 Chloroneb 2675-77-6 DTXSID2024793 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC(Cl)=C(OC)C=C1Cl Chloroneb 2675-77-6|Chloroneb|2,5-dichloro-1,4-dimethoxybenzene|4-06-00-05772|Benzene, 1,4-dichloro-2,5-dimethoxy-|BRN 1952749|Caswell No. 198|chloronebe|Demasan|Demosan|Demosan 10D|Demosan 65W|Dichloro-2,5-dimethoxybenzene|EINECS 220-222-3|EPA Pesticide Chemical Code 027301|Flo Pro D Seed Protectant|NSC 151546|Nuflo D|Soil fungicide 1823|Terraneb|Terraneb SP|Tersan SP|Tersan-SP|UNII-1U6950BY9X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024793 https://doi.org/10.22427/NTP-DATA-DTXSID2024793
ARPathway2016 ARPathway2016_1079 Chloroneb 2675-77-6 DTXSID2024793 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC(Cl)=C(OC)C=C1Cl Chloroneb 2675-77-6|Chloroneb|2,5-dichloro-1,4-dimethoxybenzene|4-06-00-05772|Benzene, 1,4-dichloro-2,5-dimethoxy-|BRN 1952749|Caswell No. 198|chloronebe|Demasan|Demosan|Demosan 10D|Demosan 65W|Dichloro-2,5-dimethoxybenzene|EINECS 220-222-3|EPA Pesticide Chemical Code 027301|Flo Pro D Seed Protectant|NSC 151546|Nuflo D|Soil fungicide 1823|Terraneb|Terraneb SP|Tersan SP|Tersan-SP|UNII-1U6950BY9X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024793 https://doi.org/10.22427/NTP-DATA-DTXSID2024793
ARPathway2016 ARPathway2016_1079 Chloroneb 2675-77-6 DTXSID2024793 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC(Cl)=C(OC)C=C1Cl Chloroneb 2675-77-6|Chloroneb|2,5-dichloro-1,4-dimethoxybenzene|4-06-00-05772|Benzene, 1,4-dichloro-2,5-dimethoxy-|BRN 1952749|Caswell No. 198|chloronebe|Demasan|Demosan|Demosan 10D|Demosan 65W|Dichloro-2,5-dimethoxybenzene|EINECS 220-222-3|EPA Pesticide Chemical Code 027301|Flo Pro D Seed Protectant|NSC 151546|Nuflo D|Soil fungicide 1823|Terraneb|Terraneb SP|Tersan SP|Tersan-SP|UNII-1U6950BY9X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024793 https://doi.org/10.22427/NTP-DATA-DTXSID2024793
ARPathway2016 ARPathway2016_1079 Chloroneb 2675-77-6 DTXSID2024793 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC(Cl)=C(OC)C=C1Cl Chloroneb 2675-77-6|Chloroneb|2,5-dichloro-1,4-dimethoxybenzene|4-06-00-05772|Benzene, 1,4-dichloro-2,5-dimethoxy-|BRN 1952749|Caswell No. 198|chloronebe|Demasan|Demosan|Demosan 10D|Demosan 65W|Dichloro-2,5-dimethoxybenzene|EINECS 220-222-3|EPA Pesticide Chemical Code 027301|Flo Pro D Seed Protectant|NSC 151546|Nuflo D|Soil fungicide 1823|Terraneb|Terraneb SP|Tersan SP|Tersan-SP|UNII-1U6950BY9X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024793 https://doi.org/10.22427/NTP-DATA-DTXSID2024793
ERPathway2016 ERPathway2016_1417 Chloroneb 2675-77-6 DTXSID2024793 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC(Cl)=C(OC)C=C1Cl Chloroneb 2675-77-6|Chloroneb|2,5-dichloro-1,4-dimethoxybenzene|4-06-00-05772|Benzene, 1,4-dichloro-2,5-dimethoxy-|BRN 1952749|Caswell No. 198|chloronebe|Demasan|Demosan|Demosan 10D|Demosan 65W|Dichloro-2,5-dimethoxybenzene|EINECS 220-222-3|EPA Pesticide Chemical Code 027301|Flo Pro D Seed Protectant|NSC 151546|Nuflo D|Soil fungicide 1823|Terraneb|Terraneb SP|Tersan SP|Tersan-SP|UNII-1U6950BY9X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024793 https://doi.org/10.22427/NTP-DATA-DTXSID2024793
ERPathway2016 ERPathway2016_1417 Chloroneb 2675-77-6 DTXSID2024793 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC(Cl)=C(OC)C=C1Cl Chloroneb 2675-77-6|Chloroneb|2,5-dichloro-1,4-dimethoxybenzene|4-06-00-05772|Benzene, 1,4-dichloro-2,5-dimethoxy-|BRN 1952749|Caswell No. 198|chloronebe|Demasan|Demosan|Demosan 10D|Demosan 65W|Dichloro-2,5-dimethoxybenzene|EINECS 220-222-3|EPA Pesticide Chemical Code 027301|Flo Pro D Seed Protectant|NSC 151546|Nuflo D|Soil fungicide 1823|Terraneb|Terraneb SP|Tersan SP|Tersan-SP|UNII-1U6950BY9X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024793 https://doi.org/10.22427/NTP-DATA-DTXSID2024793
ERPathway2016 ERPathway2016_1417 Chloroneb 2675-77-6 DTXSID2024793 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC(Cl)=C(OC)C=C1Cl Chloroneb 2675-77-6|Chloroneb|2,5-dichloro-1,4-dimethoxybenzene|4-06-00-05772|Benzene, 1,4-dichloro-2,5-dimethoxy-|BRN 1952749|Caswell No. 198|chloronebe|Demasan|Demosan|Demosan 10D|Demosan 65W|Dichloro-2,5-dimethoxybenzene|EINECS 220-222-3|EPA Pesticide Chemical Code 027301|Flo Pro D Seed Protectant|NSC 151546|Nuflo D|Soil fungicide 1823|Terraneb|Terraneb SP|Tersan SP|Tersan-SP|UNII-1U6950BY9X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024793 https://doi.org/10.22427/NTP-DATA-DTXSID2024793
ERPathway2016 ERPathway2016_1417 Chloroneb 2675-77-6 DTXSID2024793 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC(Cl)=C(OC)C=C1Cl Chloroneb 2675-77-6|Chloroneb|2,5-dichloro-1,4-dimethoxybenzene|4-06-00-05772|Benzene, 1,4-dichloro-2,5-dimethoxy-|BRN 1952749|Caswell No. 198|chloronebe|Demasan|Demosan|Demosan 10D|Demosan 65W|Dichloro-2,5-dimethoxybenzene|EINECS 220-222-3|EPA Pesticide Chemical Code 027301|Flo Pro D Seed Protectant|NSC 151546|Nuflo D|Soil fungicide 1823|Terraneb|Terraneb SP|Tersan SP|Tersan-SP|UNII-1U6950BY9X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024793 https://doi.org/10.22427/NTP-DATA-DTXSID2024793
ARPathway2016 ARPathway2016_166 Chlorophacinone 3691-35-8 DTXSID2032348 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 28.82731976 uM ClC1=CC=C(C=C1)C(C(=O)C1C(=O)C2=C(C=CC=C2)C1=O)C1=CC=CC=C1 Chlorophacinone 3691-35-8|Chlorophacinone|((4-Chlorphenyl)-1-phenyl)-acetyl-1,3-indandion|1-(4-Chlorphenyl)-1-phenyl-acetyl-indan-1,3-dion|1,3-Indandione, 2-[(p-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[(4-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[2-(4-chlorophenyl)-2-phenylacetyl]-|2-((4-Chlorophenyl)phenylacetyl)-1H-indene-1,3(2H)-dione|2-((p-Chlorophenyl)phenylacetyl)-1,3-indandione|2-(2-(4-Chlorophenyl)-2-phenylacetyl)indane-1,3-dione|2-(2-Phenyl-2-(4-chlorophenyl)acetyl)-1,3-indandione|2-(alpha-p-Chlorophenylacetyl)indane-1,3-dione|2-[(4-Chlorophenyl)phenylacetyl]-1H-indene-1,3-(2H)-dione|2-[(p-Chlorophenyl)phenylacetyl]-1,3-indandione|2-[2-Phenyl-2-(4-chlorophenyl)acetyl]-1,3-indandione|2-Acetyl-2-(p-chlorophenyl)-2-phenylindan-1,3-dione|2-Phenyl-p-chlorophenylacetyl-1,3-indandione|2(2-(4-Chloor-fenyl-2-fenyl)-acetyl)-indaan-1,3-dion|2(2-(4-Chlor-phenyl-2-phenyl)acetyl)indan-1,3-dion|2(2-(4-Chlorophenyl)-2-phenylacetyl)indan-1,3-dione|2(2-(4-Cloro-fenil-2FENIL)-acetil)indan-1,3-dione|Actosin C|Baraage|BRN 2063081|Cas https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032348
ARPathway2016 ARPathway2016_166 Chlorophacinone 3691-35-8 DTXSID2032348 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 28.9891875 uM ClC1=CC=C(C=C1)C(C(=O)C1C(=O)C2=C(C=CC=C2)C1=O)C1=CC=CC=C1 Chlorophacinone 3691-35-8|Chlorophacinone|((4-Chlorphenyl)-1-phenyl)-acetyl-1,3-indandion|1-(4-Chlorphenyl)-1-phenyl-acetyl-indan-1,3-dion|1,3-Indandione, 2-[(p-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[(4-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[2-(4-chlorophenyl)-2-phenylacetyl]-|2-((4-Chlorophenyl)phenylacetyl)-1H-indene-1,3(2H)-dione|2-((p-Chlorophenyl)phenylacetyl)-1,3-indandione|2-(2-(4-Chlorophenyl)-2-phenylacetyl)indane-1,3-dione|2-(2-Phenyl-2-(4-chlorophenyl)acetyl)-1,3-indandione|2-(alpha-p-Chlorophenylacetyl)indane-1,3-dione|2-[(4-Chlorophenyl)phenylacetyl]-1H-indene-1,3-(2H)-dione|2-[(p-Chlorophenyl)phenylacetyl]-1,3-indandione|2-[2-Phenyl-2-(4-chlorophenyl)acetyl]-1,3-indandione|2-Acetyl-2-(p-chlorophenyl)-2-phenylindan-1,3-dione|2-Phenyl-p-chlorophenylacetyl-1,3-indandione|2(2-(4-Chloor-fenyl-2-fenyl)-acetyl)-indaan-1,3-dion|2(2-(4-Chlor-phenyl-2-phenyl)acetyl)indan-1,3-dion|2(2-(4-Chlorophenyl)-2-phenylacetyl)indan-1,3-dione|2(2-(4-Cloro-fenil-2FENIL)-acetil)indan-1,3-dione|Actosin C|Baraage|BRN 2063081|Cas https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032348
ARPathway2016 ARPathway2016_166 Chlorophacinone 3691-35-8 DTXSID2032348 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.203 Unitless ClC1=CC=C(C=C1)C(C(=O)C1C(=O)C2=C(C=CC=C2)C1=O)C1=CC=CC=C1 Chlorophacinone 3691-35-8|Chlorophacinone|((4-Chlorphenyl)-1-phenyl)-acetyl-1,3-indandion|1-(4-Chlorphenyl)-1-phenyl-acetyl-indan-1,3-dion|1,3-Indandione, 2-[(p-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[(4-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[2-(4-chlorophenyl)-2-phenylacetyl]-|2-((4-Chlorophenyl)phenylacetyl)-1H-indene-1,3(2H)-dione|2-((p-Chlorophenyl)phenylacetyl)-1,3-indandione|2-(2-(4-Chlorophenyl)-2-phenylacetyl)indane-1,3-dione|2-(2-Phenyl-2-(4-chlorophenyl)acetyl)-1,3-indandione|2-(alpha-p-Chlorophenylacetyl)indane-1,3-dione|2-[(4-Chlorophenyl)phenylacetyl]-1H-indene-1,3-(2H)-dione|2-[(p-Chlorophenyl)phenylacetyl]-1,3-indandione|2-[2-Phenyl-2-(4-chlorophenyl)acetyl]-1,3-indandione|2-Acetyl-2-(p-chlorophenyl)-2-phenylindan-1,3-dione|2-Phenyl-p-chlorophenylacetyl-1,3-indandione|2(2-(4-Chloor-fenyl-2-fenyl)-acetyl)-indaan-1,3-dion|2(2-(4-Chlor-phenyl-2-phenyl)acetyl)indan-1,3-dion|2(2-(4-Chlorophenyl)-2-phenylacetyl)indan-1,3-dione|2(2-(4-Cloro-fenil-2FENIL)-acetil)indan-1,3-dione|Actosin C|Baraage|BRN 2063081|Cas https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032348
ARPathway2016 ARPathway2016_166 Chlorophacinone 3691-35-8 DTXSID2032348 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=C(C=C1)C(C(=O)C1C(=O)C2=C(C=CC=C2)C1=O)C1=CC=CC=C1 Chlorophacinone 3691-35-8|Chlorophacinone|((4-Chlorphenyl)-1-phenyl)-acetyl-1,3-indandion|1-(4-Chlorphenyl)-1-phenyl-acetyl-indan-1,3-dion|1,3-Indandione, 2-[(p-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[(4-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[2-(4-chlorophenyl)-2-phenylacetyl]-|2-((4-Chlorophenyl)phenylacetyl)-1H-indene-1,3(2H)-dione|2-((p-Chlorophenyl)phenylacetyl)-1,3-indandione|2-(2-(4-Chlorophenyl)-2-phenylacetyl)indane-1,3-dione|2-(2-Phenyl-2-(4-chlorophenyl)acetyl)-1,3-indandione|2-(alpha-p-Chlorophenylacetyl)indane-1,3-dione|2-[(4-Chlorophenyl)phenylacetyl]-1H-indene-1,3-(2H)-dione|2-[(p-Chlorophenyl)phenylacetyl]-1,3-indandione|2-[2-Phenyl-2-(4-chlorophenyl)acetyl]-1,3-indandione|2-Acetyl-2-(p-chlorophenyl)-2-phenylindan-1,3-dione|2-Phenyl-p-chlorophenylacetyl-1,3-indandione|2(2-(4-Chloor-fenyl-2-fenyl)-acetyl)-indaan-1,3-dion|2(2-(4-Chlor-phenyl-2-phenyl)acetyl)indan-1,3-dion|2(2-(4-Chlorophenyl)-2-phenylacetyl)indan-1,3-dione|2(2-(4-Cloro-fenil-2FENIL)-acetil)indan-1,3-dione|Actosin C|Baraage|BRN 2063081|Cas https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032348
ARPathway2016 ARPathway2016_166 Chlorophacinone 3691-35-8 DTXSID2032348 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC1=CC=C(C=C1)C(C(=O)C1C(=O)C2=C(C=CC=C2)C1=O)C1=CC=CC=C1 Chlorophacinone 3691-35-8|Chlorophacinone|((4-Chlorphenyl)-1-phenyl)-acetyl-1,3-indandion|1-(4-Chlorphenyl)-1-phenyl-acetyl-indan-1,3-dion|1,3-Indandione, 2-[(p-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[(4-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[2-(4-chlorophenyl)-2-phenylacetyl]-|2-((4-Chlorophenyl)phenylacetyl)-1H-indene-1,3(2H)-dione|2-((p-Chlorophenyl)phenylacetyl)-1,3-indandione|2-(2-(4-Chlorophenyl)-2-phenylacetyl)indane-1,3-dione|2-(2-Phenyl-2-(4-chlorophenyl)acetyl)-1,3-indandione|2-(alpha-p-Chlorophenylacetyl)indane-1,3-dione|2-[(4-Chlorophenyl)phenylacetyl]-1H-indene-1,3-(2H)-dione|2-[(p-Chlorophenyl)phenylacetyl]-1,3-indandione|2-[2-Phenyl-2-(4-chlorophenyl)acetyl]-1,3-indandione|2-Acetyl-2-(p-chlorophenyl)-2-phenylindan-1,3-dione|2-Phenyl-p-chlorophenylacetyl-1,3-indandione|2(2-(4-Chloor-fenyl-2-fenyl)-acetyl)-indaan-1,3-dion|2(2-(4-Chlor-phenyl-2-phenyl)acetyl)indan-1,3-dion|2(2-(4-Chlorophenyl)-2-phenylacetyl)indan-1,3-dione|2(2-(4-Cloro-fenil-2FENIL)-acetil)indan-1,3-dione|Actosin C|Baraage|BRN 2063081|Cas https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032348
ARPathway2016 ARPathway2016_166 Chlorophacinone 3691-35-8 DTXSID2032348 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=C(C=C1)C(C(=O)C1C(=O)C2=C(C=CC=C2)C1=O)C1=CC=CC=C1 Chlorophacinone 3691-35-8|Chlorophacinone|((4-Chlorphenyl)-1-phenyl)-acetyl-1,3-indandion|1-(4-Chlorphenyl)-1-phenyl-acetyl-indan-1,3-dion|1,3-Indandione, 2-[(p-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[(4-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[2-(4-chlorophenyl)-2-phenylacetyl]-|2-((4-Chlorophenyl)phenylacetyl)-1H-indene-1,3(2H)-dione|2-((p-Chlorophenyl)phenylacetyl)-1,3-indandione|2-(2-(4-Chlorophenyl)-2-phenylacetyl)indane-1,3-dione|2-(2-Phenyl-2-(4-chlorophenyl)acetyl)-1,3-indandione|2-(alpha-p-Chlorophenylacetyl)indane-1,3-dione|2-[(4-Chlorophenyl)phenylacetyl]-1H-indene-1,3-(2H)-dione|2-[(p-Chlorophenyl)phenylacetyl]-1,3-indandione|2-[2-Phenyl-2-(4-chlorophenyl)acetyl]-1,3-indandione|2-Acetyl-2-(p-chlorophenyl)-2-phenylindan-1,3-dione|2-Phenyl-p-chlorophenylacetyl-1,3-indandione|2(2-(4-Chloor-fenyl-2-fenyl)-acetyl)-indaan-1,3-dion|2(2-(4-Chlor-phenyl-2-phenyl)acetyl)indan-1,3-dion|2(2-(4-Chlorophenyl)-2-phenylacetyl)indan-1,3-dione|2(2-(4-Cloro-fenil-2FENIL)-acetil)indan-1,3-dione|Actosin C|Baraage|BRN 2063081|Cas https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032348
ERPathway2016 ERPathway2016_83 Chlorophacinone 3691-35-8 DTXSID2032348 ER Pathway Model, Agonist AC50 23.325994194139 uM ClC1=CC=C(C=C1)C(C(=O)C1C(=O)C2=C(C=CC=C2)C1=O)C1=CC=CC=C1 Chlorophacinone 3691-35-8|Chlorophacinone|((4-Chlorphenyl)-1-phenyl)-acetyl-1,3-indandion|1-(4-Chlorphenyl)-1-phenyl-acetyl-indan-1,3-dion|1,3-Indandione, 2-[(p-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[(4-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[2-(4-chlorophenyl)-2-phenylacetyl]-|2-((4-Chlorophenyl)phenylacetyl)-1H-indene-1,3(2H)-dione|2-((p-Chlorophenyl)phenylacetyl)-1,3-indandione|2-(2-(4-Chlorophenyl)-2-phenylacetyl)indane-1,3-dione|2-(2-Phenyl-2-(4-chlorophenyl)acetyl)-1,3-indandione|2-(alpha-p-Chlorophenylacetyl)indane-1,3-dione|2-[(4-Chlorophenyl)phenylacetyl]-1H-indene-1,3-(2H)-dione|2-[(p-Chlorophenyl)phenylacetyl]-1,3-indandione|2-[2-Phenyl-2-(4-chlorophenyl)acetyl]-1,3-indandione|2-Acetyl-2-(p-chlorophenyl)-2-phenylindan-1,3-dione|2-Phenyl-p-chlorophenylacetyl-1,3-indandione|2(2-(4-Chloor-fenyl-2-fenyl)-acetyl)-indaan-1,3-dion|2(2-(4-Chlor-phenyl-2-phenyl)acetyl)indan-1,3-dion|2(2-(4-Chlorophenyl)-2-phenylacetyl)indan-1,3-dione|2(2-(4-Cloro-fenil-2FENIL)-acetil)indan-1,3-dione|Actosin C|Baraage|BRN 2063081|Cas https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032348
ERPathway2016 ERPathway2016_83 Chlorophacinone 3691-35-8 DTXSID2032348 ER Pathway Model, Agonist ACC 8.8741338313062 uM ClC1=CC=C(C=C1)C(C(=O)C1C(=O)C2=C(C=CC=C2)C1=O)C1=CC=CC=C1 Chlorophacinone 3691-35-8|Chlorophacinone|((4-Chlorphenyl)-1-phenyl)-acetyl-1,3-indandion|1-(4-Chlorphenyl)-1-phenyl-acetyl-indan-1,3-dion|1,3-Indandione, 2-[(p-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[(4-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[2-(4-chlorophenyl)-2-phenylacetyl]-|2-((4-Chlorophenyl)phenylacetyl)-1H-indene-1,3(2H)-dione|2-((p-Chlorophenyl)phenylacetyl)-1,3-indandione|2-(2-(4-Chlorophenyl)-2-phenylacetyl)indane-1,3-dione|2-(2-Phenyl-2-(4-chlorophenyl)acetyl)-1,3-indandione|2-(alpha-p-Chlorophenylacetyl)indane-1,3-dione|2-[(4-Chlorophenyl)phenylacetyl]-1H-indene-1,3-(2H)-dione|2-[(p-Chlorophenyl)phenylacetyl]-1,3-indandione|2-[2-Phenyl-2-(4-chlorophenyl)acetyl]-1,3-indandione|2-Acetyl-2-(p-chlorophenyl)-2-phenylindan-1,3-dione|2-Phenyl-p-chlorophenylacetyl-1,3-indandione|2(2-(4-Chloor-fenyl-2-fenyl)-acetyl)-indaan-1,3-dion|2(2-(4-Chlor-phenyl-2-phenyl)acetyl)indan-1,3-dion|2(2-(4-Chlorophenyl)-2-phenylacetyl)indan-1,3-dione|2(2-(4-Cloro-fenil-2FENIL)-acetil)indan-1,3-dione|Actosin C|Baraage|BRN 2063081|Cas https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032348
ERPathway2016 ERPathway2016_83 Chlorophacinone 3691-35-8 DTXSID2032348 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=C(C=C1)C(C(=O)C1C(=O)C2=C(C=CC=C2)C1=O)C1=CC=CC=C1 Chlorophacinone 3691-35-8|Chlorophacinone|((4-Chlorphenyl)-1-phenyl)-acetyl-1,3-indandion|1-(4-Chlorphenyl)-1-phenyl-acetyl-indan-1,3-dion|1,3-Indandione, 2-[(p-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[(4-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[2-(4-chlorophenyl)-2-phenylacetyl]-|2-((4-Chlorophenyl)phenylacetyl)-1H-indene-1,3(2H)-dione|2-((p-Chlorophenyl)phenylacetyl)-1,3-indandione|2-(2-(4-Chlorophenyl)-2-phenylacetyl)indane-1,3-dione|2-(2-Phenyl-2-(4-chlorophenyl)acetyl)-1,3-indandione|2-(alpha-p-Chlorophenylacetyl)indane-1,3-dione|2-[(4-Chlorophenyl)phenylacetyl]-1H-indene-1,3-(2H)-dione|2-[(p-Chlorophenyl)phenylacetyl]-1,3-indandione|2-[2-Phenyl-2-(4-chlorophenyl)acetyl]-1,3-indandione|2-Acetyl-2-(p-chlorophenyl)-2-phenylindan-1,3-dione|2-Phenyl-p-chlorophenylacetyl-1,3-indandione|2(2-(4-Chloor-fenyl-2-fenyl)-acetyl)-indaan-1,3-dion|2(2-(4-Chlor-phenyl-2-phenyl)acetyl)indan-1,3-dion|2(2-(4-Chlorophenyl)-2-phenylacetyl)indan-1,3-dione|2(2-(4-Cloro-fenil-2FENIL)-acetil)indan-1,3-dione|Actosin C|Baraage|BRN 2063081|Cas https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032348
ERPathway2016 ERPathway2016_83 Chlorophacinone 3691-35-8 DTXSID2032348 ER Pathway Model, Antagonist Model Score 0.0307 Unitless ClC1=CC=C(C=C1)C(C(=O)C1C(=O)C2=C(C=CC=C2)C1=O)C1=CC=CC=C1 Chlorophacinone 3691-35-8|Chlorophacinone|((4-Chlorphenyl)-1-phenyl)-acetyl-1,3-indandion|1-(4-Chlorphenyl)-1-phenyl-acetyl-indan-1,3-dion|1,3-Indandione, 2-[(p-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[(4-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[2-(4-chlorophenyl)-2-phenylacetyl]-|2-((4-Chlorophenyl)phenylacetyl)-1H-indene-1,3(2H)-dione|2-((p-Chlorophenyl)phenylacetyl)-1,3-indandione|2-(2-(4-Chlorophenyl)-2-phenylacetyl)indane-1,3-dione|2-(2-Phenyl-2-(4-chlorophenyl)acetyl)-1,3-indandione|2-(alpha-p-Chlorophenylacetyl)indane-1,3-dione|2-[(4-Chlorophenyl)phenylacetyl]-1H-indene-1,3-(2H)-dione|2-[(p-Chlorophenyl)phenylacetyl]-1,3-indandione|2-[2-Phenyl-2-(4-chlorophenyl)acetyl]-1,3-indandione|2-Acetyl-2-(p-chlorophenyl)-2-phenylindan-1,3-dione|2-Phenyl-p-chlorophenylacetyl-1,3-indandione|2(2-(4-Chloor-fenyl-2-fenyl)-acetyl)-indaan-1,3-dion|2(2-(4-Chlor-phenyl-2-phenyl)acetyl)indan-1,3-dion|2(2-(4-Chlorophenyl)-2-phenylacetyl)indan-1,3-dione|2(2-(4-Cloro-fenil-2FENIL)-acetil)indan-1,3-dione|Actosin C|Baraage|BRN 2063081|Cas https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032348
ERPathway2016 ERPathway2016_83 Chlorophacinone 3691-35-8 DTXSID2032348 ER Pathway Model, Agonist Call Active Unitless ClC1=CC=C(C=C1)C(C(=O)C1C(=O)C2=C(C=CC=C2)C1=O)C1=CC=CC=C1 Chlorophacinone 3691-35-8|Chlorophacinone|((4-Chlorphenyl)-1-phenyl)-acetyl-1,3-indandion|1-(4-Chlorphenyl)-1-phenyl-acetyl-indan-1,3-dion|1,3-Indandione, 2-[(p-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[(4-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[2-(4-chlorophenyl)-2-phenylacetyl]-|2-((4-Chlorophenyl)phenylacetyl)-1H-indene-1,3(2H)-dione|2-((p-Chlorophenyl)phenylacetyl)-1,3-indandione|2-(2-(4-Chlorophenyl)-2-phenylacetyl)indane-1,3-dione|2-(2-Phenyl-2-(4-chlorophenyl)acetyl)-1,3-indandione|2-(alpha-p-Chlorophenylacetyl)indane-1,3-dione|2-[(4-Chlorophenyl)phenylacetyl]-1H-indene-1,3-(2H)-dione|2-[(p-Chlorophenyl)phenylacetyl]-1,3-indandione|2-[2-Phenyl-2-(4-chlorophenyl)acetyl]-1,3-indandione|2-Acetyl-2-(p-chlorophenyl)-2-phenylindan-1,3-dione|2-Phenyl-p-chlorophenylacetyl-1,3-indandione|2(2-(4-Chloor-fenyl-2-fenyl)-acetyl)-indaan-1,3-dion|2(2-(4-Chlor-phenyl-2-phenyl)acetyl)indan-1,3-dion|2(2-(4-Chlorophenyl)-2-phenylacetyl)indan-1,3-dione|2(2-(4-Cloro-fenil-2FENIL)-acetil)indan-1,3-dione|Actosin C|Baraage|BRN 2063081|Cas https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032348
ERPathway2016 ERPathway2016_83 Chlorophacinone 3691-35-8 DTXSID2032348 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=C(C=C1)C(C(=O)C1C(=O)C2=C(C=CC=C2)C1=O)C1=CC=CC=C1 Chlorophacinone 3691-35-8|Chlorophacinone|((4-Chlorphenyl)-1-phenyl)-acetyl-1,3-indandion|1-(4-Chlorphenyl)-1-phenyl-acetyl-indan-1,3-dion|1,3-Indandione, 2-[(p-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[(4-chlorophenyl)phenylacetyl]-|1H-Indene-1,3(2H)-dione, 2-[2-(4-chlorophenyl)-2-phenylacetyl]-|2-((4-Chlorophenyl)phenylacetyl)-1H-indene-1,3(2H)-dione|2-((p-Chlorophenyl)phenylacetyl)-1,3-indandione|2-(2-(4-Chlorophenyl)-2-phenylacetyl)indane-1,3-dione|2-(2-Phenyl-2-(4-chlorophenyl)acetyl)-1,3-indandione|2-(alpha-p-Chlorophenylacetyl)indane-1,3-dione|2-[(4-Chlorophenyl)phenylacetyl]-1H-indene-1,3-(2H)-dione|2-[(p-Chlorophenyl)phenylacetyl]-1,3-indandione|2-[2-Phenyl-2-(4-chlorophenyl)acetyl]-1,3-indandione|2-Acetyl-2-(p-chlorophenyl)-2-phenylindan-1,3-dione|2-Phenyl-p-chlorophenylacetyl-1,3-indandione|2(2-(4-Chloor-fenyl-2-fenyl)-acetyl)-indaan-1,3-dion|2(2-(4-Chlor-phenyl-2-phenyl)acetyl)indan-1,3-dion|2(2-(4-Chlorophenyl)-2-phenylacetyl)indan-1,3-dione|2(2-(4-Cloro-fenil-2FENIL)-acetil)indan-1,3-dione|Actosin C|Baraage|BRN 2063081|Cas https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032348
ARPathway2016 ARPathway2016_98 Chlorothalonil 1897-45-6 DTXSID0020319 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 2.622499063 uM ClC1=C(Cl)C(C#N)=C(Cl)C(C#N)=C1Cl Chlorothalonil 1897-45-6|Chlorothalonil|1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-|1,3-Benzenedicarbonnitrile, 2,4,5,6-tetrachloro-|1,3-Dicyanotetrachlorobenzene|2,4,5,6-Tetrachloro-1,3-benzenedicarbonitrile|2,4,5,6-Tetrachloro-1,3-dicyanobenzene|2,4,5,6-Tetrachloro-1,3-isophthalonitrile|2,4,5,6-Tetrachloro-3-cyanobenzonitrile|2,4,5,6-Tetrachloroisophthalonitrile|217-588-1|Agronil PI 231|BENZENE-1,3-DICARBONITRILE, 2,4,5,6-TETRACHLORO-,|Bravo Ultrex|Bravonil|Bravonil Ultrex|BRN 1978326|Caswell No. 215B|Chloroalonil|Chlorothalonil [1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-]|clorotalonil|Clorthalonil|Clortocaf ramato|Clortosip|Clortosip 500SC|Clortosip L|Daconil|Daconil 1000|Daconil 2787|Daconil 2787 flowable fungicide|Daconil 2787 W-75 Fungicide|Daconil 2787 W75|Daconil 2787WP|Daconil 500|Daconil F|Daconil Flowable|Daconil M|Dacosoil|EC No.: 217-588-1|EINECS 217-588-1|EPA Pesticide Chemical Code 081901|Exotherm|Exotherm termil|Forturf|Fungitrol 404D|Isophthalonitrile, 2,4,5,6-tetrachloro-|Isophthalonitrile, tetrachloro-|Kabiguard 164SA|m-|101963-73-9|216082-57-4|342632-51-3|37223-69-1|462093-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020319 https://doi.org/10.22427/NTP-DATA-DTXSID0020319
ARPathway2016 ARPathway2016_98 Chlorothalonil 1897-45-6 DTXSID0020319 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 2.661156391 uM ClC1=C(Cl)C(C#N)=C(Cl)C(C#N)=C1Cl Chlorothalonil 1897-45-6|Chlorothalonil|1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-|1,3-Benzenedicarbonnitrile, 2,4,5,6-tetrachloro-|1,3-Dicyanotetrachlorobenzene|2,4,5,6-Tetrachloro-1,3-benzenedicarbonitrile|2,4,5,6-Tetrachloro-1,3-dicyanobenzene|2,4,5,6-Tetrachloro-1,3-isophthalonitrile|2,4,5,6-Tetrachloro-3-cyanobenzonitrile|2,4,5,6-Tetrachloroisophthalonitrile|217-588-1|Agronil PI 231|BENZENE-1,3-DICARBONITRILE, 2,4,5,6-TETRACHLORO-,|Bravo Ultrex|Bravonil|Bravonil Ultrex|BRN 1978326|Caswell No. 215B|Chloroalonil|Chlorothalonil [1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-]|clorotalonil|Clorthalonil|Clortocaf ramato|Clortosip|Clortosip 500SC|Clortosip L|Daconil|Daconil 1000|Daconil 2787|Daconil 2787 flowable fungicide|Daconil 2787 W-75 Fungicide|Daconil 2787 W75|Daconil 2787WP|Daconil 500|Daconil F|Daconil Flowable|Daconil M|Dacosoil|EC No.: 217-588-1|EINECS 217-588-1|EPA Pesticide Chemical Code 081901|Exotherm|Exotherm termil|Forturf|Fungitrol 404D|Isophthalonitrile, 2,4,5,6-tetrachloro-|Isophthalonitrile, tetrachloro-|Kabiguard 164SA|m-|101963-73-9|216082-57-4|342632-51-3|37223-69-1|462093-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020319 https://doi.org/10.22427/NTP-DATA-DTXSID0020319
ARPathway2016 ARPathway2016_98 Chlorothalonil 1897-45-6 DTXSID0020319 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.481 Unitless ClC1=C(Cl)C(C#N)=C(Cl)C(C#N)=C1Cl Chlorothalonil 1897-45-6|Chlorothalonil|1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-|1,3-Benzenedicarbonnitrile, 2,4,5,6-tetrachloro-|1,3-Dicyanotetrachlorobenzene|2,4,5,6-Tetrachloro-1,3-benzenedicarbonitrile|2,4,5,6-Tetrachloro-1,3-dicyanobenzene|2,4,5,6-Tetrachloro-1,3-isophthalonitrile|2,4,5,6-Tetrachloro-3-cyanobenzonitrile|2,4,5,6-Tetrachloroisophthalonitrile|217-588-1|Agronil PI 231|BENZENE-1,3-DICARBONITRILE, 2,4,5,6-TETRACHLORO-,|Bravo Ultrex|Bravonil|Bravonil Ultrex|BRN 1978326|Caswell No. 215B|Chloroalonil|Chlorothalonil [1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-]|clorotalonil|Clorthalonil|Clortocaf ramato|Clortosip|Clortosip 500SC|Clortosip L|Daconil|Daconil 1000|Daconil 2787|Daconil 2787 flowable fungicide|Daconil 2787 W-75 Fungicide|Daconil 2787 W75|Daconil 2787WP|Daconil 500|Daconil F|Daconil Flowable|Daconil M|Dacosoil|EC No.: 217-588-1|EINECS 217-588-1|EPA Pesticide Chemical Code 081901|Exotherm|Exotherm termil|Forturf|Fungitrol 404D|Isophthalonitrile, 2,4,5,6-tetrachloro-|Isophthalonitrile, tetrachloro-|Kabiguard 164SA|m-|101963-73-9|216082-57-4|342632-51-3|37223-69-1|462093-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020319 https://doi.org/10.22427/NTP-DATA-DTXSID0020319
ARPathway2016 ARPathway2016_98 Chlorothalonil 1897-45-6 DTXSID0020319 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC1=C(Cl)C(C#N)=C(Cl)C(C#N)=C1Cl Chlorothalonil 1897-45-6|Chlorothalonil|1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-|1,3-Benzenedicarbonnitrile, 2,4,5,6-tetrachloro-|1,3-Dicyanotetrachlorobenzene|2,4,5,6-Tetrachloro-1,3-benzenedicarbonitrile|2,4,5,6-Tetrachloro-1,3-dicyanobenzene|2,4,5,6-Tetrachloro-1,3-isophthalonitrile|2,4,5,6-Tetrachloro-3-cyanobenzonitrile|2,4,5,6-Tetrachloroisophthalonitrile|217-588-1|Agronil PI 231|BENZENE-1,3-DICARBONITRILE, 2,4,5,6-TETRACHLORO-,|Bravo Ultrex|Bravonil|Bravonil Ultrex|BRN 1978326|Caswell No. 215B|Chloroalonil|Chlorothalonil [1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-]|clorotalonil|Clorthalonil|Clortocaf ramato|Clortosip|Clortosip 500SC|Clortosip L|Daconil|Daconil 1000|Daconil 2787|Daconil 2787 flowable fungicide|Daconil 2787 W-75 Fungicide|Daconil 2787 W75|Daconil 2787WP|Daconil 500|Daconil F|Daconil Flowable|Daconil M|Dacosoil|EC No.: 217-588-1|EINECS 217-588-1|EPA Pesticide Chemical Code 081901|Exotherm|Exotherm termil|Forturf|Fungitrol 404D|Isophthalonitrile, 2,4,5,6-tetrachloro-|Isophthalonitrile, tetrachloro-|Kabiguard 164SA|m-|101963-73-9|216082-57-4|342632-51-3|37223-69-1|462093-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020319 https://doi.org/10.22427/NTP-DATA-DTXSID0020319
ARPathway2016 ARPathway2016_98 Chlorothalonil 1897-45-6 DTXSID0020319 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC1=C(Cl)C(C#N)=C(Cl)C(C#N)=C1Cl Chlorothalonil 1897-45-6|Chlorothalonil|1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-|1,3-Benzenedicarbonnitrile, 2,4,5,6-tetrachloro-|1,3-Dicyanotetrachlorobenzene|2,4,5,6-Tetrachloro-1,3-benzenedicarbonitrile|2,4,5,6-Tetrachloro-1,3-dicyanobenzene|2,4,5,6-Tetrachloro-1,3-isophthalonitrile|2,4,5,6-Tetrachloro-3-cyanobenzonitrile|2,4,5,6-Tetrachloroisophthalonitrile|217-588-1|Agronil PI 231|BENZENE-1,3-DICARBONITRILE, 2,4,5,6-TETRACHLORO-,|Bravo Ultrex|Bravonil|Bravonil Ultrex|BRN 1978326|Caswell No. 215B|Chloroalonil|Chlorothalonil [1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-]|clorotalonil|Clorthalonil|Clortocaf ramato|Clortosip|Clortosip 500SC|Clortosip L|Daconil|Daconil 1000|Daconil 2787|Daconil 2787 flowable fungicide|Daconil 2787 W-75 Fungicide|Daconil 2787 W75|Daconil 2787WP|Daconil 500|Daconil F|Daconil Flowable|Daconil M|Dacosoil|EC No.: 217-588-1|EINECS 217-588-1|EPA Pesticide Chemical Code 081901|Exotherm|Exotherm termil|Forturf|Fungitrol 404D|Isophthalonitrile, 2,4,5,6-tetrachloro-|Isophthalonitrile, tetrachloro-|Kabiguard 164SA|m-|101963-73-9|216082-57-4|342632-51-3|37223-69-1|462093-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020319 https://doi.org/10.22427/NTP-DATA-DTXSID0020319
ARPathway2016 ARPathway2016_98 Chlorothalonil 1897-45-6 DTXSID0020319 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC1=C(Cl)C(C#N)=C(Cl)C(C#N)=C1Cl Chlorothalonil 1897-45-6|Chlorothalonil|1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-|1,3-Benzenedicarbonnitrile, 2,4,5,6-tetrachloro-|1,3-Dicyanotetrachlorobenzene|2,4,5,6-Tetrachloro-1,3-benzenedicarbonitrile|2,4,5,6-Tetrachloro-1,3-dicyanobenzene|2,4,5,6-Tetrachloro-1,3-isophthalonitrile|2,4,5,6-Tetrachloro-3-cyanobenzonitrile|2,4,5,6-Tetrachloroisophthalonitrile|217-588-1|Agronil PI 231|BENZENE-1,3-DICARBONITRILE, 2,4,5,6-TETRACHLORO-,|Bravo Ultrex|Bravonil|Bravonil Ultrex|BRN 1978326|Caswell No. 215B|Chloroalonil|Chlorothalonil [1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-]|clorotalonil|Clorthalonil|Clortocaf ramato|Clortosip|Clortosip 500SC|Clortosip L|Daconil|Daconil 1000|Daconil 2787|Daconil 2787 flowable fungicide|Daconil 2787 W-75 Fungicide|Daconil 2787 W75|Daconil 2787WP|Daconil 500|Daconil F|Daconil Flowable|Daconil M|Dacosoil|EC No.: 217-588-1|EINECS 217-588-1|EPA Pesticide Chemical Code 081901|Exotherm|Exotherm termil|Forturf|Fungitrol 404D|Isophthalonitrile, 2,4,5,6-tetrachloro-|Isophthalonitrile, tetrachloro-|Kabiguard 164SA|m-|101963-73-9|216082-57-4|342632-51-3|37223-69-1|462093-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020319 https://doi.org/10.22427/NTP-DATA-DTXSID0020319
ERPathway2016 ERPathway2016_582 Chlorothalonil 1897-45-6 DTXSID0020319 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=C(Cl)C(C#N)=C(Cl)C(C#N)=C1Cl Chlorothalonil 1897-45-6|Chlorothalonil|1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-|1,3-Benzenedicarbonnitrile, 2,4,5,6-tetrachloro-|1,3-Dicyanotetrachlorobenzene|2,4,5,6-Tetrachloro-1,3-benzenedicarbonitrile|2,4,5,6-Tetrachloro-1,3-dicyanobenzene|2,4,5,6-Tetrachloro-1,3-isophthalonitrile|2,4,5,6-Tetrachloro-3-cyanobenzonitrile|2,4,5,6-Tetrachloroisophthalonitrile|217-588-1|Agronil PI 231|BENZENE-1,3-DICARBONITRILE, 2,4,5,6-TETRACHLORO-,|Bravo Ultrex|Bravonil|Bravonil Ultrex|BRN 1978326|Caswell No. 215B|Chloroalonil|Chlorothalonil [1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-]|clorotalonil|Clorthalonil|Clortocaf ramato|Clortosip|Clortosip 500SC|Clortosip L|Daconil|Daconil 1000|Daconil 2787|Daconil 2787 flowable fungicide|Daconil 2787 W-75 Fungicide|Daconil 2787 W75|Daconil 2787WP|Daconil 500|Daconil F|Daconil Flowable|Daconil M|Dacosoil|EC No.: 217-588-1|EINECS 217-588-1|EPA Pesticide Chemical Code 081901|Exotherm|Exotherm termil|Forturf|Fungitrol 404D|Isophthalonitrile, 2,4,5,6-tetrachloro-|Isophthalonitrile, tetrachloro-|Kabiguard 164SA|m-|101963-73-9|216082-57-4|342632-51-3|37223-69-1|462093-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020319 https://doi.org/10.22427/NTP-DATA-DTXSID0020319
ERPathway2016 ERPathway2016_582 Chlorothalonil 1897-45-6 DTXSID0020319 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=C(Cl)C(C#N)=C(Cl)C(C#N)=C1Cl Chlorothalonil 1897-45-6|Chlorothalonil|1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-|1,3-Benzenedicarbonnitrile, 2,4,5,6-tetrachloro-|1,3-Dicyanotetrachlorobenzene|2,4,5,6-Tetrachloro-1,3-benzenedicarbonitrile|2,4,5,6-Tetrachloro-1,3-dicyanobenzene|2,4,5,6-Tetrachloro-1,3-isophthalonitrile|2,4,5,6-Tetrachloro-3-cyanobenzonitrile|2,4,5,6-Tetrachloroisophthalonitrile|217-588-1|Agronil PI 231|BENZENE-1,3-DICARBONITRILE, 2,4,5,6-TETRACHLORO-,|Bravo Ultrex|Bravonil|Bravonil Ultrex|BRN 1978326|Caswell No. 215B|Chloroalonil|Chlorothalonil [1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-]|clorotalonil|Clorthalonil|Clortocaf ramato|Clortosip|Clortosip 500SC|Clortosip L|Daconil|Daconil 1000|Daconil 2787|Daconil 2787 flowable fungicide|Daconil 2787 W-75 Fungicide|Daconil 2787 W75|Daconil 2787WP|Daconil 500|Daconil F|Daconil Flowable|Daconil M|Dacosoil|EC No.: 217-588-1|EINECS 217-588-1|EPA Pesticide Chemical Code 081901|Exotherm|Exotherm termil|Forturf|Fungitrol 404D|Isophthalonitrile, 2,4,5,6-tetrachloro-|Isophthalonitrile, tetrachloro-|Kabiguard 164SA|m-|101963-73-9|216082-57-4|342632-51-3|37223-69-1|462093-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020319 https://doi.org/10.22427/NTP-DATA-DTXSID0020319
ERPathway2016 ERPathway2016_582 Chlorothalonil 1897-45-6 DTXSID0020319 ER Pathway Model, Agonist Call Inactive Unitless ClC1=C(Cl)C(C#N)=C(Cl)C(C#N)=C1Cl Chlorothalonil 1897-45-6|Chlorothalonil|1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-|1,3-Benzenedicarbonnitrile, 2,4,5,6-tetrachloro-|1,3-Dicyanotetrachlorobenzene|2,4,5,6-Tetrachloro-1,3-benzenedicarbonitrile|2,4,5,6-Tetrachloro-1,3-dicyanobenzene|2,4,5,6-Tetrachloro-1,3-isophthalonitrile|2,4,5,6-Tetrachloro-3-cyanobenzonitrile|2,4,5,6-Tetrachloroisophthalonitrile|217-588-1|Agronil PI 231|BENZENE-1,3-DICARBONITRILE, 2,4,5,6-TETRACHLORO-,|Bravo Ultrex|Bravonil|Bravonil Ultrex|BRN 1978326|Caswell No. 215B|Chloroalonil|Chlorothalonil [1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-]|clorotalonil|Clorthalonil|Clortocaf ramato|Clortosip|Clortosip 500SC|Clortosip L|Daconil|Daconil 1000|Daconil 2787|Daconil 2787 flowable fungicide|Daconil 2787 W-75 Fungicide|Daconil 2787 W75|Daconil 2787WP|Daconil 500|Daconil F|Daconil Flowable|Daconil M|Dacosoil|EC No.: 217-588-1|EINECS 217-588-1|EPA Pesticide Chemical Code 081901|Exotherm|Exotherm termil|Forturf|Fungitrol 404D|Isophthalonitrile, 2,4,5,6-tetrachloro-|Isophthalonitrile, tetrachloro-|Kabiguard 164SA|m-|101963-73-9|216082-57-4|342632-51-3|37223-69-1|462093-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020319 https://doi.org/10.22427/NTP-DATA-DTXSID0020319
ERPathway2016 ERPathway2016_582 Chlorothalonil 1897-45-6 DTXSID0020319 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=C(Cl)C(C#N)=C(Cl)C(C#N)=C1Cl Chlorothalonil 1897-45-6|Chlorothalonil|1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-|1,3-Benzenedicarbonnitrile, 2,4,5,6-tetrachloro-|1,3-Dicyanotetrachlorobenzene|2,4,5,6-Tetrachloro-1,3-benzenedicarbonitrile|2,4,5,6-Tetrachloro-1,3-dicyanobenzene|2,4,5,6-Tetrachloro-1,3-isophthalonitrile|2,4,5,6-Tetrachloro-3-cyanobenzonitrile|2,4,5,6-Tetrachloroisophthalonitrile|217-588-1|Agronil PI 231|BENZENE-1,3-DICARBONITRILE, 2,4,5,6-TETRACHLORO-,|Bravo Ultrex|Bravonil|Bravonil Ultrex|BRN 1978326|Caswell No. 215B|Chloroalonil|Chlorothalonil [1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-]|clorotalonil|Clorthalonil|Clortocaf ramato|Clortosip|Clortosip 500SC|Clortosip L|Daconil|Daconil 1000|Daconil 2787|Daconil 2787 flowable fungicide|Daconil 2787 W-75 Fungicide|Daconil 2787 W75|Daconil 2787WP|Daconil 500|Daconil F|Daconil Flowable|Daconil M|Dacosoil|EC No.: 217-588-1|EINECS 217-588-1|EPA Pesticide Chemical Code 081901|Exotherm|Exotherm termil|Forturf|Fungitrol 404D|Isophthalonitrile, 2,4,5,6-tetrachloro-|Isophthalonitrile, tetrachloro-|Kabiguard 164SA|m-|101963-73-9|216082-57-4|342632-51-3|37223-69-1|462093-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020319 https://doi.org/10.22427/NTP-DATA-DTXSID0020319
ARPathway2016 ARPathway2016_1048 Chlorotoluene 25168-05-2 DTXSID0027852 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=CC=C1.Cl* |c:3,5,t:1,lp:7:3,m:8:4.5.6| Chlorotoluene 25168-05-2|Chlorotoluene|4-05-00-00809|ar-Chlorotoluene|Benzene, chloromethyl-|BRN 0471308|Chloromethylbenzene|EINECS 246-698-2|Oxsol 10|Toluene, ar-chloro-|27987-13-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027852
ARPathway2016 ARPathway2016_1048 Chlorotoluene 25168-05-2 DTXSID0027852 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=CC=C1.Cl* |c:3,5,t:1,lp:7:3,m:8:4.5.6| Chlorotoluene 25168-05-2|Chlorotoluene|4-05-00-00809|ar-Chlorotoluene|Benzene, chloromethyl-|BRN 0471308|Chloromethylbenzene|EINECS 246-698-2|Oxsol 10|Toluene, ar-chloro-|27987-13-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027852
ARPathway2016 ARPathway2016_1048 Chlorotoluene 25168-05-2 DTXSID0027852 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=CC=C1.Cl* |c:3,5,t:1,lp:7:3,m:8:4.5.6| Chlorotoluene 25168-05-2|Chlorotoluene|4-05-00-00809|ar-Chlorotoluene|Benzene, chloromethyl-|BRN 0471308|Chloromethylbenzene|EINECS 246-698-2|Oxsol 10|Toluene, ar-chloro-|27987-13-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027852
ARPathway2016 ARPathway2016_1048 Chlorotoluene 25168-05-2 DTXSID0027852 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=CC=C1.Cl* |c:3,5,t:1,lp:7:3,m:8:4.5.6| Chlorotoluene 25168-05-2|Chlorotoluene|4-05-00-00809|ar-Chlorotoluene|Benzene, chloromethyl-|BRN 0471308|Chloromethylbenzene|EINECS 246-698-2|Oxsol 10|Toluene, ar-chloro-|27987-13-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027852
ERPathway2016 ERPathway2016_1048 Chlorotoluene 25168-05-2 DTXSID0027852 A10 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=CC=C1.Cl* |c:3,5,t:1,lp:7:3,m:8:4.5.6| Chlorotoluene 25168-05-2|Chlorotoluene|4-05-00-00809|ar-Chlorotoluene|Benzene, chloromethyl-|BRN 0471308|Chloromethylbenzene|EINECS 246-698-2|Oxsol 10|Toluene, ar-chloro-|27987-13-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027852
ERPathway2016 ERPathway2016_1048 Chlorotoluene 25168-05-2 DTXSID0027852 A10 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=CC=C1.Cl* |c:3,5,t:1,lp:7:3,m:8:4.5.6| Chlorotoluene 25168-05-2|Chlorotoluene|4-05-00-00809|ar-Chlorotoluene|Benzene, chloromethyl-|BRN 0471308|Chloromethylbenzene|EINECS 246-698-2|Oxsol 10|Toluene, ar-chloro-|27987-13-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027852
ERPathway2016 ERPathway2016_1048 Chlorotoluene 25168-05-2 DTXSID0027852 A10 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=CC=C1.Cl* |c:3,5,t:1,lp:7:3,m:8:4.5.6| Chlorotoluene 25168-05-2|Chlorotoluene|4-05-00-00809|ar-Chlorotoluene|Benzene, chloromethyl-|BRN 0471308|Chloromethylbenzene|EINECS 246-698-2|Oxsol 10|Toluene, ar-chloro-|27987-13-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027852
ERPathway2016 ERPathway2016_1048 Chlorotoluene 25168-05-2 DTXSID0027852 A10 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=CC=C1.Cl* |c:3,5,t:1,lp:7:3,m:8:4.5.6| Chlorotoluene 25168-05-2|Chlorotoluene|4-05-00-00809|ar-Chlorotoluene|Benzene, chloromethyl-|BRN 0471308|Chloromethylbenzene|EINECS 246-698-2|Oxsol 10|Toluene, ar-chloro-|27987-13-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027852
ARPathway2016 ARPathway2016_255 Chlorpromazine hydrochloride 69-09-0 DTXSID7024827 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 13.20413909 uM Cl.CN(C)CCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2 Chlorpromazine hydrochloride 69-09-0|Chlorpromazine hydrochloride|10-(3-Dimethylaminopropyl)-2-chlorophenothiazine monohydrochloride|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1)|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, monohydrochloride|2-Chloro-10-(3-(dimethylamino)propyl)phenothiazine monohydrochloride|2-Chloro-10-(3-dimethylaminopropyl)phenothiazine monohydrochloride|2-Chloro-N,N-dimethyl-10H-phenothiazin-10-propanamine hydrochloride|2-chloro-N,N-dimethyl-10H-phenothiazine-10-propanamine monohydrochloride|Aminazin hydrochloride|Aminazin monohydrochloride|Aminazinum|Ampliactil monohydrochloride|Chloractil|Chlorazin|Chloropromazine hydrochloride|Chloropromazine monohydrochloride|Chlorpromazine HCl|Chlorpromazine hydrochloride|Chlorpromazine hydrochloride intensol|Chlorpromazine monohydrochloride|Chlorpromazine, chlorhydrate|Chlorpromazinhydrochlorid|Chlorpromazinium chloride|clorpromazinio, clorhidrato|Contomin hydrochloride|CPZ (VAN)|EINECS 200-701-3|Fenactil monohydrochloride|Hebanil|Hibanil|Hibernal|Hybernal|Klorproman|K https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024827 https://doi.org/10.22427/NTP-DATA-DTXSID7024827
ARPathway2016 ARPathway2016_255 Chlorpromazine hydrochloride 69-09-0 DTXSID7024827 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 21.4111117828361 uM Cl.CN(C)CCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2 Chlorpromazine hydrochloride 69-09-0|Chlorpromazine hydrochloride|10-(3-Dimethylaminopropyl)-2-chlorophenothiazine monohydrochloride|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1)|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, monohydrochloride|2-Chloro-10-(3-(dimethylamino)propyl)phenothiazine monohydrochloride|2-Chloro-10-(3-dimethylaminopropyl)phenothiazine monohydrochloride|2-Chloro-N,N-dimethyl-10H-phenothiazin-10-propanamine hydrochloride|2-chloro-N,N-dimethyl-10H-phenothiazine-10-propanamine monohydrochloride|Aminazin hydrochloride|Aminazin monohydrochloride|Aminazinum|Ampliactil monohydrochloride|Chloractil|Chlorazin|Chloropromazine hydrochloride|Chloropromazine monohydrochloride|Chlorpromazine HCl|Chlorpromazine hydrochloride|Chlorpromazine hydrochloride intensol|Chlorpromazine monohydrochloride|Chlorpromazine, chlorhydrate|Chlorpromazinhydrochlorid|Chlorpromazinium chloride|clorpromazinio, clorhidrato|Contomin hydrochloride|CPZ (VAN)|EINECS 200-701-3|Fenactil monohydrochloride|Hebanil|Hibanil|Hibernal|Hybernal|Klorproman|K https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024827 https://doi.org/10.22427/NTP-DATA-DTXSID7024827
ARPathway2016 ARPathway2016_255 Chlorpromazine hydrochloride 69-09-0 DTXSID7024827 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0929 Unitless Cl.CN(C)CCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2 Chlorpromazine hydrochloride 69-09-0|Chlorpromazine hydrochloride|10-(3-Dimethylaminopropyl)-2-chlorophenothiazine monohydrochloride|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1)|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, monohydrochloride|2-Chloro-10-(3-(dimethylamino)propyl)phenothiazine monohydrochloride|2-Chloro-10-(3-dimethylaminopropyl)phenothiazine monohydrochloride|2-Chloro-N,N-dimethyl-10H-phenothiazin-10-propanamine hydrochloride|2-chloro-N,N-dimethyl-10H-phenothiazine-10-propanamine monohydrochloride|Aminazin hydrochloride|Aminazin monohydrochloride|Aminazinum|Ampliactil monohydrochloride|Chloractil|Chlorazin|Chloropromazine hydrochloride|Chloropromazine monohydrochloride|Chlorpromazine HCl|Chlorpromazine hydrochloride|Chlorpromazine hydrochloride intensol|Chlorpromazine monohydrochloride|Chlorpromazine, chlorhydrate|Chlorpromazinhydrochlorid|Chlorpromazinium chloride|clorpromazinio, clorhidrato|Contomin hydrochloride|CPZ (VAN)|EINECS 200-701-3|Fenactil monohydrochloride|Hebanil|Hibanil|Hibernal|Hybernal|Klorproman|K https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024827 https://doi.org/10.22427/NTP-DATA-DTXSID7024827
ARPathway2016 ARPathway2016_255 Chlorpromazine hydrochloride 69-09-0 DTXSID7024827 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless Cl.CN(C)CCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2 Chlorpromazine hydrochloride 69-09-0|Chlorpromazine hydrochloride|10-(3-Dimethylaminopropyl)-2-chlorophenothiazine monohydrochloride|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1)|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, monohydrochloride|2-Chloro-10-(3-(dimethylamino)propyl)phenothiazine monohydrochloride|2-Chloro-10-(3-dimethylaminopropyl)phenothiazine monohydrochloride|2-Chloro-N,N-dimethyl-10H-phenothiazin-10-propanamine hydrochloride|2-chloro-N,N-dimethyl-10H-phenothiazine-10-propanamine monohydrochloride|Aminazin hydrochloride|Aminazin monohydrochloride|Aminazinum|Ampliactil monohydrochloride|Chloractil|Chlorazin|Chloropromazine hydrochloride|Chloropromazine monohydrochloride|Chlorpromazine HCl|Chlorpromazine hydrochloride|Chlorpromazine hydrochloride intensol|Chlorpromazine monohydrochloride|Chlorpromazine, chlorhydrate|Chlorpromazinhydrochlorid|Chlorpromazinium chloride|clorpromazinio, clorhidrato|Contomin hydrochloride|CPZ (VAN)|EINECS 200-701-3|Fenactil monohydrochloride|Hebanil|Hibanil|Hibernal|Hybernal|Klorproman|K https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024827 https://doi.org/10.22427/NTP-DATA-DTXSID7024827
ARPathway2016 ARPathway2016_255 Chlorpromazine hydrochloride 69-09-0 DTXSID7024827 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Cl.CN(C)CCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2 Chlorpromazine hydrochloride 69-09-0|Chlorpromazine hydrochloride|10-(3-Dimethylaminopropyl)-2-chlorophenothiazine monohydrochloride|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1)|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, monohydrochloride|2-Chloro-10-(3-(dimethylamino)propyl)phenothiazine monohydrochloride|2-Chloro-10-(3-dimethylaminopropyl)phenothiazine monohydrochloride|2-Chloro-N,N-dimethyl-10H-phenothiazin-10-propanamine hydrochloride|2-chloro-N,N-dimethyl-10H-phenothiazine-10-propanamine monohydrochloride|Aminazin hydrochloride|Aminazin monohydrochloride|Aminazinum|Ampliactil monohydrochloride|Chloractil|Chlorazin|Chloropromazine hydrochloride|Chloropromazine monohydrochloride|Chlorpromazine HCl|Chlorpromazine hydrochloride|Chlorpromazine hydrochloride intensol|Chlorpromazine monohydrochloride|Chlorpromazine, chlorhydrate|Chlorpromazinhydrochlorid|Chlorpromazinium chloride|clorpromazinio, clorhidrato|Contomin hydrochloride|CPZ (VAN)|EINECS 200-701-3|Fenactil monohydrochloride|Hebanil|Hibanil|Hibernal|Hybernal|Klorproman|K https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024827 https://doi.org/10.22427/NTP-DATA-DTXSID7024827
ARPathway2016 ARPathway2016_255 Chlorpromazine hydrochloride 69-09-0 DTXSID7024827 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Cl.CN(C)CCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2 Chlorpromazine hydrochloride 69-09-0|Chlorpromazine hydrochloride|10-(3-Dimethylaminopropyl)-2-chlorophenothiazine monohydrochloride|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1)|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, monohydrochloride|2-Chloro-10-(3-(dimethylamino)propyl)phenothiazine monohydrochloride|2-Chloro-10-(3-dimethylaminopropyl)phenothiazine monohydrochloride|2-Chloro-N,N-dimethyl-10H-phenothiazin-10-propanamine hydrochloride|2-chloro-N,N-dimethyl-10H-phenothiazine-10-propanamine monohydrochloride|Aminazin hydrochloride|Aminazin monohydrochloride|Aminazinum|Ampliactil monohydrochloride|Chloractil|Chlorazin|Chloropromazine hydrochloride|Chloropromazine monohydrochloride|Chlorpromazine HCl|Chlorpromazine hydrochloride|Chlorpromazine hydrochloride intensol|Chlorpromazine monohydrochloride|Chlorpromazine, chlorhydrate|Chlorpromazinhydrochlorid|Chlorpromazinium chloride|clorpromazinio, clorhidrato|Contomin hydrochloride|CPZ (VAN)|EINECS 200-701-3|Fenactil monohydrochloride|Hebanil|Hibanil|Hibernal|Hybernal|Klorproman|K https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024827 https://doi.org/10.22427/NTP-DATA-DTXSID7024827
ERPathway2016 ERPathway2016_600 Chlorpromazine hydrochloride 69-09-0 DTXSID7024827 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CN(C)CCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2 Chlorpromazine hydrochloride 69-09-0|Chlorpromazine hydrochloride|10-(3-Dimethylaminopropyl)-2-chlorophenothiazine monohydrochloride|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1)|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, monohydrochloride|2-Chloro-10-(3-(dimethylamino)propyl)phenothiazine monohydrochloride|2-Chloro-10-(3-dimethylaminopropyl)phenothiazine monohydrochloride|2-Chloro-N,N-dimethyl-10H-phenothiazin-10-propanamine hydrochloride|2-chloro-N,N-dimethyl-10H-phenothiazine-10-propanamine monohydrochloride|Aminazin hydrochloride|Aminazin monohydrochloride|Aminazinum|Ampliactil monohydrochloride|Chloractil|Chlorazin|Chloropromazine hydrochloride|Chloropromazine monohydrochloride|Chlorpromazine HCl|Chlorpromazine hydrochloride|Chlorpromazine hydrochloride intensol|Chlorpromazine monohydrochloride|Chlorpromazine, chlorhydrate|Chlorpromazinhydrochlorid|Chlorpromazinium chloride|clorpromazinio, clorhidrato|Contomin hydrochloride|CPZ (VAN)|EINECS 200-701-3|Fenactil monohydrochloride|Hebanil|Hibanil|Hibernal|Hybernal|Klorproman|K https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024827 https://doi.org/10.22427/NTP-DATA-DTXSID7024827
ERPathway2016 ERPathway2016_600 Chlorpromazine hydrochloride 69-09-0 DTXSID7024827 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CN(C)CCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2 Chlorpromazine hydrochloride 69-09-0|Chlorpromazine hydrochloride|10-(3-Dimethylaminopropyl)-2-chlorophenothiazine monohydrochloride|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1)|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, monohydrochloride|2-Chloro-10-(3-(dimethylamino)propyl)phenothiazine monohydrochloride|2-Chloro-10-(3-dimethylaminopropyl)phenothiazine monohydrochloride|2-Chloro-N,N-dimethyl-10H-phenothiazin-10-propanamine hydrochloride|2-chloro-N,N-dimethyl-10H-phenothiazine-10-propanamine monohydrochloride|Aminazin hydrochloride|Aminazin monohydrochloride|Aminazinum|Ampliactil monohydrochloride|Chloractil|Chlorazin|Chloropromazine hydrochloride|Chloropromazine monohydrochloride|Chlorpromazine HCl|Chlorpromazine hydrochloride|Chlorpromazine hydrochloride intensol|Chlorpromazine monohydrochloride|Chlorpromazine, chlorhydrate|Chlorpromazinhydrochlorid|Chlorpromazinium chloride|clorpromazinio, clorhidrato|Contomin hydrochloride|CPZ (VAN)|EINECS 200-701-3|Fenactil monohydrochloride|Hebanil|Hibanil|Hibernal|Hybernal|Klorproman|K https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024827 https://doi.org/10.22427/NTP-DATA-DTXSID7024827
ERPathway2016 ERPathway2016_600 Chlorpromazine hydrochloride 69-09-0 DTXSID7024827 ER Pathway Model, Agonist Call Inactive Unitless Cl.CN(C)CCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2 Chlorpromazine hydrochloride 69-09-0|Chlorpromazine hydrochloride|10-(3-Dimethylaminopropyl)-2-chlorophenothiazine monohydrochloride|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1)|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, monohydrochloride|2-Chloro-10-(3-(dimethylamino)propyl)phenothiazine monohydrochloride|2-Chloro-10-(3-dimethylaminopropyl)phenothiazine monohydrochloride|2-Chloro-N,N-dimethyl-10H-phenothiazin-10-propanamine hydrochloride|2-chloro-N,N-dimethyl-10H-phenothiazine-10-propanamine monohydrochloride|Aminazin hydrochloride|Aminazin monohydrochloride|Aminazinum|Ampliactil monohydrochloride|Chloractil|Chlorazin|Chloropromazine hydrochloride|Chloropromazine monohydrochloride|Chlorpromazine HCl|Chlorpromazine hydrochloride|Chlorpromazine hydrochloride intensol|Chlorpromazine monohydrochloride|Chlorpromazine, chlorhydrate|Chlorpromazinhydrochlorid|Chlorpromazinium chloride|clorpromazinio, clorhidrato|Contomin hydrochloride|CPZ (VAN)|EINECS 200-701-3|Fenactil monohydrochloride|Hebanil|Hibanil|Hibernal|Hybernal|Klorproman|K https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024827 https://doi.org/10.22427/NTP-DATA-DTXSID7024827
ERPathway2016 ERPathway2016_600 Chlorpromazine hydrochloride 69-09-0 DTXSID7024827 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CN(C)CCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2 Chlorpromazine hydrochloride 69-09-0|Chlorpromazine hydrochloride|10-(3-Dimethylaminopropyl)-2-chlorophenothiazine monohydrochloride|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1)|10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, monohydrochloride|2-Chloro-10-(3-(dimethylamino)propyl)phenothiazine monohydrochloride|2-Chloro-10-(3-dimethylaminopropyl)phenothiazine monohydrochloride|2-Chloro-N,N-dimethyl-10H-phenothiazin-10-propanamine hydrochloride|2-chloro-N,N-dimethyl-10H-phenothiazine-10-propanamine monohydrochloride|Aminazin hydrochloride|Aminazin monohydrochloride|Aminazinum|Ampliactil monohydrochloride|Chloractil|Chlorazin|Chloropromazine hydrochloride|Chloropromazine monohydrochloride|Chlorpromazine HCl|Chlorpromazine hydrochloride|Chlorpromazine hydrochloride intensol|Chlorpromazine monohydrochloride|Chlorpromazine, chlorhydrate|Chlorpromazinhydrochlorid|Chlorpromazinium chloride|clorpromazinio, clorhidrato|Contomin hydrochloride|CPZ (VAN)|EINECS 200-701-3|Fenactil monohydrochloride|Hebanil|Hibanil|Hibernal|Hybernal|Klorproman|K https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024827 https://doi.org/10.22427/NTP-DATA-DTXSID7024827
ARPathway2016 ARPathway2016_2 Chlorpropham 101-21-3 DTXSID7020764 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 24.1341950852115 uM CC(C)OC(=O)NC1=CC=CC(Cl)=C1 Chlorpropham 101-21-3|Chlorpropham|(3-Chlorophenyl)carbamic acid, 1-methylethyl ester|1-Methylethyl|1-Methylethyl (3-chlorophenyl)carbamate|1-Methylethyl N-(3-chlorophenyl)carbamate|1-Methylethyl(3-chlorophenyl)carbamate|3-Chlorocarbanilic acid, isopropyl ester|BRN 2211397|Bud Nip|Bud-Nip|Carbamic acid, (3-chlorophenyl)-, 1-methylethyl ester|Carbamic acid, N-(3-chlorophenyl)-, 1-methylethyl ester|Carbanilic acid, m-chloro-, isopropyl ester|Caswell No. 510A|Chlor IFC|Chlor IFK|Chlor IPC|Chlor-IFC|ChlorIPC|Chloro IPC|Chloro-IFK|Chloro-IPC|Chloropropham|chlorprophame|clorprofam|EINECS 202-925-7|Elbanil|EPA Pesticide Chemical Code 018301|Fasco WY-hoe|Furloe 3 EC|isopropyl (3-chlorophenyl)carbamate|Isopropyl 3-chlorocarbanilate|Isopropyl 3-chlorophenylcarbamate|Isopropyl m-chlorocarbanilate|Isopropyl meta-chlorocarbanilate|Isopropyl N-(3-chlorophenyl) carbamate|Isopropyl N-(3-chlorophenyl)carbamate|Isopropyl N-(m-chlorophenyl)carbamate|Isopropyl N-chlorophenylcarbamate|Isopropyl-m-chlorocarbanilate|Isopropyl-N-(3-chlorophenyl) carbamate|Isopropyl-N|11097-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020764
ARPathway2016 ARPathway2016_2 Chlorpropham 101-21-3 DTXSID7020764 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 17.0237134192288 uM CC(C)OC(=O)NC1=CC=CC(Cl)=C1 Chlorpropham 101-21-3|Chlorpropham|(3-Chlorophenyl)carbamic acid, 1-methylethyl ester|1-Methylethyl|1-Methylethyl (3-chlorophenyl)carbamate|1-Methylethyl N-(3-chlorophenyl)carbamate|1-Methylethyl(3-chlorophenyl)carbamate|3-Chlorocarbanilic acid, isopropyl ester|BRN 2211397|Bud Nip|Bud-Nip|Carbamic acid, (3-chlorophenyl)-, 1-methylethyl ester|Carbamic acid, N-(3-chlorophenyl)-, 1-methylethyl ester|Carbanilic acid, m-chloro-, isopropyl ester|Caswell No. 510A|Chlor IFC|Chlor IFK|Chlor IPC|Chlor-IFC|ChlorIPC|Chloro IPC|Chloro-IFK|Chloro-IPC|Chloropropham|chlorprophame|clorprofam|EINECS 202-925-7|Elbanil|EPA Pesticide Chemical Code 018301|Fasco WY-hoe|Furloe 3 EC|isopropyl (3-chlorophenyl)carbamate|Isopropyl 3-chlorocarbanilate|Isopropyl 3-chlorophenylcarbamate|Isopropyl m-chlorocarbanilate|Isopropyl meta-chlorocarbanilate|Isopropyl N-(3-chlorophenyl) carbamate|Isopropyl N-(3-chlorophenyl)carbamate|Isopropyl N-(m-chlorophenyl)carbamate|Isopropyl N-chlorophenylcarbamate|Isopropyl-m-chlorocarbanilate|Isopropyl-N-(3-chlorophenyl) carbamate|Isopropyl-N|11097-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020764
ARPathway2016 ARPathway2016_2 Chlorpropham 101-21-3 DTXSID7020764 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0667 Unitless CC(C)OC(=O)NC1=CC=CC(Cl)=C1 Chlorpropham 101-21-3|Chlorpropham|(3-Chlorophenyl)carbamic acid, 1-methylethyl ester|1-Methylethyl|1-Methylethyl (3-chlorophenyl)carbamate|1-Methylethyl N-(3-chlorophenyl)carbamate|1-Methylethyl(3-chlorophenyl)carbamate|3-Chlorocarbanilic acid, isopropyl ester|BRN 2211397|Bud Nip|Bud-Nip|Carbamic acid, (3-chlorophenyl)-, 1-methylethyl ester|Carbamic acid, N-(3-chlorophenyl)-, 1-methylethyl ester|Carbanilic acid, m-chloro-, isopropyl ester|Caswell No. 510A|Chlor IFC|Chlor IFK|Chlor IPC|Chlor-IFC|ChlorIPC|Chloro IPC|Chloro-IFK|Chloro-IPC|Chloropropham|chlorprophame|clorprofam|EINECS 202-925-7|Elbanil|EPA Pesticide Chemical Code 018301|Fasco WY-hoe|Furloe 3 EC|isopropyl (3-chlorophenyl)carbamate|Isopropyl 3-chlorocarbanilate|Isopropyl 3-chlorophenylcarbamate|Isopropyl m-chlorocarbanilate|Isopropyl meta-chlorocarbanilate|Isopropyl N-(3-chlorophenyl) carbamate|Isopropyl N-(3-chlorophenyl)carbamate|Isopropyl N-(m-chlorophenyl)carbamate|Isopropyl N-chlorophenylcarbamate|Isopropyl-m-chlorocarbanilate|Isopropyl-N-(3-chlorophenyl) carbamate|Isopropyl-N|11097-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020764
ARPathway2016 ARPathway2016_2 Chlorpropham 101-21-3 DTXSID7020764 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)OC(=O)NC1=CC=CC(Cl)=C1 Chlorpropham 101-21-3|Chlorpropham|(3-Chlorophenyl)carbamic acid, 1-methylethyl ester|1-Methylethyl|1-Methylethyl (3-chlorophenyl)carbamate|1-Methylethyl N-(3-chlorophenyl)carbamate|1-Methylethyl(3-chlorophenyl)carbamate|3-Chlorocarbanilic acid, isopropyl ester|BRN 2211397|Bud Nip|Bud-Nip|Carbamic acid, (3-chlorophenyl)-, 1-methylethyl ester|Carbamic acid, N-(3-chlorophenyl)-, 1-methylethyl ester|Carbanilic acid, m-chloro-, isopropyl ester|Caswell No. 510A|Chlor IFC|Chlor IFK|Chlor IPC|Chlor-IFC|ChlorIPC|Chloro IPC|Chloro-IFK|Chloro-IPC|Chloropropham|chlorprophame|clorprofam|EINECS 202-925-7|Elbanil|EPA Pesticide Chemical Code 018301|Fasco WY-hoe|Furloe 3 EC|isopropyl (3-chlorophenyl)carbamate|Isopropyl 3-chlorocarbanilate|Isopropyl 3-chlorophenylcarbamate|Isopropyl m-chlorocarbanilate|Isopropyl meta-chlorocarbanilate|Isopropyl N-(3-chlorophenyl) carbamate|Isopropyl N-(3-chlorophenyl)carbamate|Isopropyl N-(m-chlorophenyl)carbamate|Isopropyl N-chlorophenylcarbamate|Isopropyl-m-chlorocarbanilate|Isopropyl-N-(3-chlorophenyl) carbamate|Isopropyl-N|11097-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020764
ARPathway2016 ARPathway2016_2 Chlorpropham 101-21-3 DTXSID7020764 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)OC(=O)NC1=CC=CC(Cl)=C1 Chlorpropham 101-21-3|Chlorpropham|(3-Chlorophenyl)carbamic acid, 1-methylethyl ester|1-Methylethyl|1-Methylethyl (3-chlorophenyl)carbamate|1-Methylethyl N-(3-chlorophenyl)carbamate|1-Methylethyl(3-chlorophenyl)carbamate|3-Chlorocarbanilic acid, isopropyl ester|BRN 2211397|Bud Nip|Bud-Nip|Carbamic acid, (3-chlorophenyl)-, 1-methylethyl ester|Carbamic acid, N-(3-chlorophenyl)-, 1-methylethyl ester|Carbanilic acid, m-chloro-, isopropyl ester|Caswell No. 510A|Chlor IFC|Chlor IFK|Chlor IPC|Chlor-IFC|ChlorIPC|Chloro IPC|Chloro-IFK|Chloro-IPC|Chloropropham|chlorprophame|clorprofam|EINECS 202-925-7|Elbanil|EPA Pesticide Chemical Code 018301|Fasco WY-hoe|Furloe 3 EC|isopropyl (3-chlorophenyl)carbamate|Isopropyl 3-chlorocarbanilate|Isopropyl 3-chlorophenylcarbamate|Isopropyl m-chlorocarbanilate|Isopropyl meta-chlorocarbanilate|Isopropyl N-(3-chlorophenyl) carbamate|Isopropyl N-(3-chlorophenyl)carbamate|Isopropyl N-(m-chlorophenyl)carbamate|Isopropyl N-chlorophenylcarbamate|Isopropyl-m-chlorocarbanilate|Isopropyl-N-(3-chlorophenyl) carbamate|Isopropyl-N|11097-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020764
ARPathway2016 ARPathway2016_2 Chlorpropham 101-21-3 DTXSID7020764 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)OC(=O)NC1=CC=CC(Cl)=C1 Chlorpropham 101-21-3|Chlorpropham|(3-Chlorophenyl)carbamic acid, 1-methylethyl ester|1-Methylethyl|1-Methylethyl (3-chlorophenyl)carbamate|1-Methylethyl N-(3-chlorophenyl)carbamate|1-Methylethyl(3-chlorophenyl)carbamate|3-Chlorocarbanilic acid, isopropyl ester|BRN 2211397|Bud Nip|Bud-Nip|Carbamic acid, (3-chlorophenyl)-, 1-methylethyl ester|Carbamic acid, N-(3-chlorophenyl)-, 1-methylethyl ester|Carbanilic acid, m-chloro-, isopropyl ester|Caswell No. 510A|Chlor IFC|Chlor IFK|Chlor IPC|Chlor-IFC|ChlorIPC|Chloro IPC|Chloro-IFK|Chloro-IPC|Chloropropham|chlorprophame|clorprofam|EINECS 202-925-7|Elbanil|EPA Pesticide Chemical Code 018301|Fasco WY-hoe|Furloe 3 EC|isopropyl (3-chlorophenyl)carbamate|Isopropyl 3-chlorocarbanilate|Isopropyl 3-chlorophenylcarbamate|Isopropyl m-chlorocarbanilate|Isopropyl meta-chlorocarbanilate|Isopropyl N-(3-chlorophenyl) carbamate|Isopropyl N-(3-chlorophenyl)carbamate|Isopropyl N-(m-chlorophenyl)carbamate|Isopropyl N-chlorophenylcarbamate|Isopropyl-m-chlorocarbanilate|Isopropyl-N-(3-chlorophenyl) carbamate|Isopropyl-N|11097-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020764
ERPathway2016 ERPathway2016_1062 Chlorpropham 101-21-3 DTXSID7020764 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)OC(=O)NC1=CC=CC(Cl)=C1 Chlorpropham 101-21-3|Chlorpropham|(3-Chlorophenyl)carbamic acid, 1-methylethyl ester|1-Methylethyl|1-Methylethyl (3-chlorophenyl)carbamate|1-Methylethyl N-(3-chlorophenyl)carbamate|1-Methylethyl(3-chlorophenyl)carbamate|3-Chlorocarbanilic acid, isopropyl ester|BRN 2211397|Bud Nip|Bud-Nip|Carbamic acid, (3-chlorophenyl)-, 1-methylethyl ester|Carbamic acid, N-(3-chlorophenyl)-, 1-methylethyl ester|Carbanilic acid, m-chloro-, isopropyl ester|Caswell No. 510A|Chlor IFC|Chlor IFK|Chlor IPC|Chlor-IFC|ChlorIPC|Chloro IPC|Chloro-IFK|Chloro-IPC|Chloropropham|chlorprophame|clorprofam|EINECS 202-925-7|Elbanil|EPA Pesticide Chemical Code 018301|Fasco WY-hoe|Furloe 3 EC|isopropyl (3-chlorophenyl)carbamate|Isopropyl 3-chlorocarbanilate|Isopropyl 3-chlorophenylcarbamate|Isopropyl m-chlorocarbanilate|Isopropyl meta-chlorocarbanilate|Isopropyl N-(3-chlorophenyl) carbamate|Isopropyl N-(3-chlorophenyl)carbamate|Isopropyl N-(m-chlorophenyl)carbamate|Isopropyl N-chlorophenylcarbamate|Isopropyl-m-chlorocarbanilate|Isopropyl-N-(3-chlorophenyl) carbamate|Isopropyl-N|11097-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020764
ERPathway2016 ERPathway2016_1062 Chlorpropham 101-21-3 DTXSID7020764 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)OC(=O)NC1=CC=CC(Cl)=C1 Chlorpropham 101-21-3|Chlorpropham|(3-Chlorophenyl)carbamic acid, 1-methylethyl ester|1-Methylethyl|1-Methylethyl (3-chlorophenyl)carbamate|1-Methylethyl N-(3-chlorophenyl)carbamate|1-Methylethyl(3-chlorophenyl)carbamate|3-Chlorocarbanilic acid, isopropyl ester|BRN 2211397|Bud Nip|Bud-Nip|Carbamic acid, (3-chlorophenyl)-, 1-methylethyl ester|Carbamic acid, N-(3-chlorophenyl)-, 1-methylethyl ester|Carbanilic acid, m-chloro-, isopropyl ester|Caswell No. 510A|Chlor IFC|Chlor IFK|Chlor IPC|Chlor-IFC|ChlorIPC|Chloro IPC|Chloro-IFK|Chloro-IPC|Chloropropham|chlorprophame|clorprofam|EINECS 202-925-7|Elbanil|EPA Pesticide Chemical Code 018301|Fasco WY-hoe|Furloe 3 EC|isopropyl (3-chlorophenyl)carbamate|Isopropyl 3-chlorocarbanilate|Isopropyl 3-chlorophenylcarbamate|Isopropyl m-chlorocarbanilate|Isopropyl meta-chlorocarbanilate|Isopropyl N-(3-chlorophenyl) carbamate|Isopropyl N-(3-chlorophenyl)carbamate|Isopropyl N-(m-chlorophenyl)carbamate|Isopropyl N-chlorophenylcarbamate|Isopropyl-m-chlorocarbanilate|Isopropyl-N-(3-chlorophenyl) carbamate|Isopropyl-N|11097-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020764
ERPathway2016 ERPathway2016_1062 Chlorpropham 101-21-3 DTXSID7020764 ER Pathway Model, Agonist Call Inactive Unitless CC(C)OC(=O)NC1=CC=CC(Cl)=C1 Chlorpropham 101-21-3|Chlorpropham|(3-Chlorophenyl)carbamic acid, 1-methylethyl ester|1-Methylethyl|1-Methylethyl (3-chlorophenyl)carbamate|1-Methylethyl N-(3-chlorophenyl)carbamate|1-Methylethyl(3-chlorophenyl)carbamate|3-Chlorocarbanilic acid, isopropyl ester|BRN 2211397|Bud Nip|Bud-Nip|Carbamic acid, (3-chlorophenyl)-, 1-methylethyl ester|Carbamic acid, N-(3-chlorophenyl)-, 1-methylethyl ester|Carbanilic acid, m-chloro-, isopropyl ester|Caswell No. 510A|Chlor IFC|Chlor IFK|Chlor IPC|Chlor-IFC|ChlorIPC|Chloro IPC|Chloro-IFK|Chloro-IPC|Chloropropham|chlorprophame|clorprofam|EINECS 202-925-7|Elbanil|EPA Pesticide Chemical Code 018301|Fasco WY-hoe|Furloe 3 EC|isopropyl (3-chlorophenyl)carbamate|Isopropyl 3-chlorocarbanilate|Isopropyl 3-chlorophenylcarbamate|Isopropyl m-chlorocarbanilate|Isopropyl meta-chlorocarbanilate|Isopropyl N-(3-chlorophenyl) carbamate|Isopropyl N-(3-chlorophenyl)carbamate|Isopropyl N-(m-chlorophenyl)carbamate|Isopropyl N-chlorophenylcarbamate|Isopropyl-m-chlorocarbanilate|Isopropyl-N-(3-chlorophenyl) carbamate|Isopropyl-N|11097-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020764
ERPathway2016 ERPathway2016_1062 Chlorpropham 101-21-3 DTXSID7020764 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)OC(=O)NC1=CC=CC(Cl)=C1 Chlorpropham 101-21-3|Chlorpropham|(3-Chlorophenyl)carbamic acid, 1-methylethyl ester|1-Methylethyl|1-Methylethyl (3-chlorophenyl)carbamate|1-Methylethyl N-(3-chlorophenyl)carbamate|1-Methylethyl(3-chlorophenyl)carbamate|3-Chlorocarbanilic acid, isopropyl ester|BRN 2211397|Bud Nip|Bud-Nip|Carbamic acid, (3-chlorophenyl)-, 1-methylethyl ester|Carbamic acid, N-(3-chlorophenyl)-, 1-methylethyl ester|Carbanilic acid, m-chloro-, isopropyl ester|Caswell No. 510A|Chlor IFC|Chlor IFK|Chlor IPC|Chlor-IFC|ChlorIPC|Chloro IPC|Chloro-IFK|Chloro-IPC|Chloropropham|chlorprophame|clorprofam|EINECS 202-925-7|Elbanil|EPA Pesticide Chemical Code 018301|Fasco WY-hoe|Furloe 3 EC|isopropyl (3-chlorophenyl)carbamate|Isopropyl 3-chlorocarbanilate|Isopropyl 3-chlorophenylcarbamate|Isopropyl m-chlorocarbanilate|Isopropyl meta-chlorocarbanilate|Isopropyl N-(3-chlorophenyl) carbamate|Isopropyl N-(3-chlorophenyl)carbamate|Isopropyl N-(m-chlorophenyl)carbamate|Isopropyl N-chlorophenylcarbamate|Isopropyl-m-chlorocarbanilate|Isopropyl-N-(3-chlorophenyl) carbamate|Isopropyl-N|11097-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020764
ARPathway2016 ARPathway2016_1110 Chlorpyrifos 2921-88-2 DTXSID4020458 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos 2921-88-2|Chlorpyrifos|2-Pyridinol, 3,5,6-trichloro-, O-ester with O,O-diethyl phosphorothioate|220-864-4|Bonidel|BRN 1545756|Caswell No. 219AA|Chlora|Chlora (insecticide)|Chloroban|Chlorofet|Chloropyrifos|Chloropyrifos-ethyl|Chloropyriphos|Chlorpyrifos E|Chlorpyrifos ethyl|Chlorpyrifos-ethyl|Chlorpyriphos|Chlorpyriphos-ethyl|Clorpiran|Clorpirifos|Coroban|CPF|CPF Zamba|Cyfos|Danusban|Detmol U.A.|Detmol ua|Dhanusban|Durmet|Dursban|Dursban 10CR|Dursban 20 EC|Dursban 48EC|Dursban 4E|Dursban 75WG|Dursban F|Dursban L.O.|Dursban Pro|Dursban R|Dursban TC|Dursband|Dursband 48|EC No.: 220-864-4|EF 1315|EINECS 220-864-4|Emperor|Empire 20|ENT 27311|Equity|Ethyl chlorpyriphos|Flower Power|Geodinfos|GF 2153|Gigant|Grofo|Grub Guard|Hilban|Killmaster|Klorpan|Klorpan 480 EC|LAF 1|Lentrek|Lock-On|Lorsban|Lorsban 15G|Lorsban 48E|Lorsban 50SL|Lorsban Advanced|m-Chlorpyrifos|Megaban|Megaban 20EC|Megaban 25WP|Megaban Super|Nufos|Nufos 4E|O,O-Diaethyl-O-3,5,6-trichlor-2-pyridylmonothiophosphat|O,O-DIETHYL O-(3,5,6-TRICHLORO-2-PYRIDINYL PHOSPHOROTIOATE)||12768-48-8|39475-55-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020458 https://doi.org/10.22427/NTP-DATA-DTXSID4020458
ARPathway2016 ARPathway2016_1110 Chlorpyrifos 2921-88-2 DTXSID4020458 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=S)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos 2921-88-2|Chlorpyrifos|2-Pyridinol, 3,5,6-trichloro-, O-ester with O,O-diethyl phosphorothioate|220-864-4|Bonidel|BRN 1545756|Caswell No. 219AA|Chlora|Chlora (insecticide)|Chloroban|Chlorofet|Chloropyrifos|Chloropyrifos-ethyl|Chloropyriphos|Chlorpyrifos E|Chlorpyrifos ethyl|Chlorpyrifos-ethyl|Chlorpyriphos|Chlorpyriphos-ethyl|Clorpiran|Clorpirifos|Coroban|CPF|CPF Zamba|Cyfos|Danusban|Detmol U.A.|Detmol ua|Dhanusban|Durmet|Dursban|Dursban 10CR|Dursban 20 EC|Dursban 48EC|Dursban 4E|Dursban 75WG|Dursban F|Dursban L.O.|Dursban Pro|Dursban R|Dursban TC|Dursband|Dursband 48|EC No.: 220-864-4|EF 1315|EINECS 220-864-4|Emperor|Empire 20|ENT 27311|Equity|Ethyl chlorpyriphos|Flower Power|Geodinfos|GF 2153|Gigant|Grofo|Grub Guard|Hilban|Killmaster|Klorpan|Klorpan 480 EC|LAF 1|Lentrek|Lock-On|Lorsban|Lorsban 15G|Lorsban 48E|Lorsban 50SL|Lorsban Advanced|m-Chlorpyrifos|Megaban|Megaban 20EC|Megaban 25WP|Megaban Super|Nufos|Nufos 4E|O,O-Diaethyl-O-3,5,6-trichlor-2-pyridylmonothiophosphat|O,O-DIETHYL O-(3,5,6-TRICHLORO-2-PYRIDINYL PHOSPHOROTIOATE)||12768-48-8|39475-55-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020458 https://doi.org/10.22427/NTP-DATA-DTXSID4020458
ARPathway2016 ARPathway2016_1110 Chlorpyrifos 2921-88-2 DTXSID4020458 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos 2921-88-2|Chlorpyrifos|2-Pyridinol, 3,5,6-trichloro-, O-ester with O,O-diethyl phosphorothioate|220-864-4|Bonidel|BRN 1545756|Caswell No. 219AA|Chlora|Chlora (insecticide)|Chloroban|Chlorofet|Chloropyrifos|Chloropyrifos-ethyl|Chloropyriphos|Chlorpyrifos E|Chlorpyrifos ethyl|Chlorpyrifos-ethyl|Chlorpyriphos|Chlorpyriphos-ethyl|Clorpiran|Clorpirifos|Coroban|CPF|CPF Zamba|Cyfos|Danusban|Detmol U.A.|Detmol ua|Dhanusban|Durmet|Dursban|Dursban 10CR|Dursban 20 EC|Dursban 48EC|Dursban 4E|Dursban 75WG|Dursban F|Dursban L.O.|Dursban Pro|Dursban R|Dursban TC|Dursband|Dursband 48|EC No.: 220-864-4|EF 1315|EINECS 220-864-4|Emperor|Empire 20|ENT 27311|Equity|Ethyl chlorpyriphos|Flower Power|Geodinfos|GF 2153|Gigant|Grofo|Grub Guard|Hilban|Killmaster|Klorpan|Klorpan 480 EC|LAF 1|Lentrek|Lock-On|Lorsban|Lorsban 15G|Lorsban 48E|Lorsban 50SL|Lorsban Advanced|m-Chlorpyrifos|Megaban|Megaban 20EC|Megaban 25WP|Megaban Super|Nufos|Nufos 4E|O,O-Diaethyl-O-3,5,6-trichlor-2-pyridylmonothiophosphat|O,O-DIETHYL O-(3,5,6-TRICHLORO-2-PYRIDINYL PHOSPHOROTIOATE)||12768-48-8|39475-55-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020458 https://doi.org/10.22427/NTP-DATA-DTXSID4020458
ARPathway2016 ARPathway2016_1110 Chlorpyrifos 2921-88-2 DTXSID4020458 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos 2921-88-2|Chlorpyrifos|2-Pyridinol, 3,5,6-trichloro-, O-ester with O,O-diethyl phosphorothioate|220-864-4|Bonidel|BRN 1545756|Caswell No. 219AA|Chlora|Chlora (insecticide)|Chloroban|Chlorofet|Chloropyrifos|Chloropyrifos-ethyl|Chloropyriphos|Chlorpyrifos E|Chlorpyrifos ethyl|Chlorpyrifos-ethyl|Chlorpyriphos|Chlorpyriphos-ethyl|Clorpiran|Clorpirifos|Coroban|CPF|CPF Zamba|Cyfos|Danusban|Detmol U.A.|Detmol ua|Dhanusban|Durmet|Dursban|Dursban 10CR|Dursban 20 EC|Dursban 48EC|Dursban 4E|Dursban 75WG|Dursban F|Dursban L.O.|Dursban Pro|Dursban R|Dursban TC|Dursband|Dursband 48|EC No.: 220-864-4|EF 1315|EINECS 220-864-4|Emperor|Empire 20|ENT 27311|Equity|Ethyl chlorpyriphos|Flower Power|Geodinfos|GF 2153|Gigant|Grofo|Grub Guard|Hilban|Killmaster|Klorpan|Klorpan 480 EC|LAF 1|Lentrek|Lock-On|Lorsban|Lorsban 15G|Lorsban 48E|Lorsban 50SL|Lorsban Advanced|m-Chlorpyrifos|Megaban|Megaban 20EC|Megaban 25WP|Megaban Super|Nufos|Nufos 4E|O,O-Diaethyl-O-3,5,6-trichlor-2-pyridylmonothiophosphat|O,O-DIETHYL O-(3,5,6-TRICHLORO-2-PYRIDINYL PHOSPHOROTIOATE)||12768-48-8|39475-55-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020458 https://doi.org/10.22427/NTP-DATA-DTXSID4020458
ERPathway2016 ERPathway2016_376 Chlorpyrifos 2921-88-2 DTXSID4020458 ER Pathway Model, Antagonist AC50 56.5714946643141 uM CCOP(=S)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos 2921-88-2|Chlorpyrifos|2-Pyridinol, 3,5,6-trichloro-, O-ester with O,O-diethyl phosphorothioate|220-864-4|Bonidel|BRN 1545756|Caswell No. 219AA|Chlora|Chlora (insecticide)|Chloroban|Chlorofet|Chloropyrifos|Chloropyrifos-ethyl|Chloropyriphos|Chlorpyrifos E|Chlorpyrifos ethyl|Chlorpyrifos-ethyl|Chlorpyriphos|Chlorpyriphos-ethyl|Clorpiran|Clorpirifos|Coroban|CPF|CPF Zamba|Cyfos|Danusban|Detmol U.A.|Detmol ua|Dhanusban|Durmet|Dursban|Dursban 10CR|Dursban 20 EC|Dursban 48EC|Dursban 4E|Dursban 75WG|Dursban F|Dursban L.O.|Dursban Pro|Dursban R|Dursban TC|Dursband|Dursband 48|EC No.: 220-864-4|EF 1315|EINECS 220-864-4|Emperor|Empire 20|ENT 27311|Equity|Ethyl chlorpyriphos|Flower Power|Geodinfos|GF 2153|Gigant|Grofo|Grub Guard|Hilban|Killmaster|Klorpan|Klorpan 480 EC|LAF 1|Lentrek|Lock-On|Lorsban|Lorsban 15G|Lorsban 48E|Lorsban 50SL|Lorsban Advanced|m-Chlorpyrifos|Megaban|Megaban 20EC|Megaban 25WP|Megaban Super|Nufos|Nufos 4E|O,O-Diaethyl-O-3,5,6-trichlor-2-pyridylmonothiophosphat|O,O-DIETHYL O-(3,5,6-TRICHLORO-2-PYRIDINYL PHOSPHOROTIOATE)||12768-48-8|39475-55-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020458 https://doi.org/10.22427/NTP-DATA-DTXSID4020458
ERPathway2016 ERPathway2016_376 Chlorpyrifos 2921-88-2 DTXSID4020458 ER Pathway Model, Antagonist ACC 22.5678924542988 uM CCOP(=S)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos 2921-88-2|Chlorpyrifos|2-Pyridinol, 3,5,6-trichloro-, O-ester with O,O-diethyl phosphorothioate|220-864-4|Bonidel|BRN 1545756|Caswell No. 219AA|Chlora|Chlora (insecticide)|Chloroban|Chlorofet|Chloropyrifos|Chloropyrifos-ethyl|Chloropyriphos|Chlorpyrifos E|Chlorpyrifos ethyl|Chlorpyrifos-ethyl|Chlorpyriphos|Chlorpyriphos-ethyl|Clorpiran|Clorpirifos|Coroban|CPF|CPF Zamba|Cyfos|Danusban|Detmol U.A.|Detmol ua|Dhanusban|Durmet|Dursban|Dursban 10CR|Dursban 20 EC|Dursban 48EC|Dursban 4E|Dursban 75WG|Dursban F|Dursban L.O.|Dursban Pro|Dursban R|Dursban TC|Dursband|Dursband 48|EC No.: 220-864-4|EF 1315|EINECS 220-864-4|Emperor|Empire 20|ENT 27311|Equity|Ethyl chlorpyriphos|Flower Power|Geodinfos|GF 2153|Gigant|Grofo|Grub Guard|Hilban|Killmaster|Klorpan|Klorpan 480 EC|LAF 1|Lentrek|Lock-On|Lorsban|Lorsban 15G|Lorsban 48E|Lorsban 50SL|Lorsban Advanced|m-Chlorpyrifos|Megaban|Megaban 20EC|Megaban 25WP|Megaban Super|Nufos|Nufos 4E|O,O-Diaethyl-O-3,5,6-trichlor-2-pyridylmonothiophosphat|O,O-DIETHYL O-(3,5,6-TRICHLORO-2-PYRIDINYL PHOSPHOROTIOATE)||12768-48-8|39475-55-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020458 https://doi.org/10.22427/NTP-DATA-DTXSID4020458
ERPathway2016 ERPathway2016_376 Chlorpyrifos 2921-88-2 DTXSID4020458 ER Pathway Model, Agonist Model Score 0.0125 Unitless CCOP(=S)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos 2921-88-2|Chlorpyrifos|2-Pyridinol, 3,5,6-trichloro-, O-ester with O,O-diethyl phosphorothioate|220-864-4|Bonidel|BRN 1545756|Caswell No. 219AA|Chlora|Chlora (insecticide)|Chloroban|Chlorofet|Chloropyrifos|Chloropyrifos-ethyl|Chloropyriphos|Chlorpyrifos E|Chlorpyrifos ethyl|Chlorpyrifos-ethyl|Chlorpyriphos|Chlorpyriphos-ethyl|Clorpiran|Clorpirifos|Coroban|CPF|CPF Zamba|Cyfos|Danusban|Detmol U.A.|Detmol ua|Dhanusban|Durmet|Dursban|Dursban 10CR|Dursban 20 EC|Dursban 48EC|Dursban 4E|Dursban 75WG|Dursban F|Dursban L.O.|Dursban Pro|Dursban R|Dursban TC|Dursband|Dursband 48|EC No.: 220-864-4|EF 1315|EINECS 220-864-4|Emperor|Empire 20|ENT 27311|Equity|Ethyl chlorpyriphos|Flower Power|Geodinfos|GF 2153|Gigant|Grofo|Grub Guard|Hilban|Killmaster|Klorpan|Klorpan 480 EC|LAF 1|Lentrek|Lock-On|Lorsban|Lorsban 15G|Lorsban 48E|Lorsban 50SL|Lorsban Advanced|m-Chlorpyrifos|Megaban|Megaban 20EC|Megaban 25WP|Megaban Super|Nufos|Nufos 4E|O,O-Diaethyl-O-3,5,6-trichlor-2-pyridylmonothiophosphat|O,O-DIETHYL O-(3,5,6-TRICHLORO-2-PYRIDINYL PHOSPHOROTIOATE)||12768-48-8|39475-55-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020458 https://doi.org/10.22427/NTP-DATA-DTXSID4020458
ERPathway2016 ERPathway2016_376 Chlorpyrifos 2921-88-2 DTXSID4020458 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos 2921-88-2|Chlorpyrifos|2-Pyridinol, 3,5,6-trichloro-, O-ester with O,O-diethyl phosphorothioate|220-864-4|Bonidel|BRN 1545756|Caswell No. 219AA|Chlora|Chlora (insecticide)|Chloroban|Chlorofet|Chloropyrifos|Chloropyrifos-ethyl|Chloropyriphos|Chlorpyrifos E|Chlorpyrifos ethyl|Chlorpyrifos-ethyl|Chlorpyriphos|Chlorpyriphos-ethyl|Clorpiran|Clorpirifos|Coroban|CPF|CPF Zamba|Cyfos|Danusban|Detmol U.A.|Detmol ua|Dhanusban|Durmet|Dursban|Dursban 10CR|Dursban 20 EC|Dursban 48EC|Dursban 4E|Dursban 75WG|Dursban F|Dursban L.O.|Dursban Pro|Dursban R|Dursban TC|Dursband|Dursband 48|EC No.: 220-864-4|EF 1315|EINECS 220-864-4|Emperor|Empire 20|ENT 27311|Equity|Ethyl chlorpyriphos|Flower Power|Geodinfos|GF 2153|Gigant|Grofo|Grub Guard|Hilban|Killmaster|Klorpan|Klorpan 480 EC|LAF 1|Lentrek|Lock-On|Lorsban|Lorsban 15G|Lorsban 48E|Lorsban 50SL|Lorsban Advanced|m-Chlorpyrifos|Megaban|Megaban 20EC|Megaban 25WP|Megaban Super|Nufos|Nufos 4E|O,O-Diaethyl-O-3,5,6-trichlor-2-pyridylmonothiophosphat|O,O-DIETHYL O-(3,5,6-TRICHLORO-2-PYRIDINYL PHOSPHOROTIOATE)||12768-48-8|39475-55-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020458 https://doi.org/10.22427/NTP-DATA-DTXSID4020458
ERPathway2016 ERPathway2016_376 Chlorpyrifos 2921-88-2 DTXSID4020458 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos 2921-88-2|Chlorpyrifos|2-Pyridinol, 3,5,6-trichloro-, O-ester with O,O-diethyl phosphorothioate|220-864-4|Bonidel|BRN 1545756|Caswell No. 219AA|Chlora|Chlora (insecticide)|Chloroban|Chlorofet|Chloropyrifos|Chloropyrifos-ethyl|Chloropyriphos|Chlorpyrifos E|Chlorpyrifos ethyl|Chlorpyrifos-ethyl|Chlorpyriphos|Chlorpyriphos-ethyl|Clorpiran|Clorpirifos|Coroban|CPF|CPF Zamba|Cyfos|Danusban|Detmol U.A.|Detmol ua|Dhanusban|Durmet|Dursban|Dursban 10CR|Dursban 20 EC|Dursban 48EC|Dursban 4E|Dursban 75WG|Dursban F|Dursban L.O.|Dursban Pro|Dursban R|Dursban TC|Dursband|Dursband 48|EC No.: 220-864-4|EF 1315|EINECS 220-864-4|Emperor|Empire 20|ENT 27311|Equity|Ethyl chlorpyriphos|Flower Power|Geodinfos|GF 2153|Gigant|Grofo|Grub Guard|Hilban|Killmaster|Klorpan|Klorpan 480 EC|LAF 1|Lentrek|Lock-On|Lorsban|Lorsban 15G|Lorsban 48E|Lorsban 50SL|Lorsban Advanced|m-Chlorpyrifos|Megaban|Megaban 20EC|Megaban 25WP|Megaban Super|Nufos|Nufos 4E|O,O-Diaethyl-O-3,5,6-trichlor-2-pyridylmonothiophosphat|O,O-DIETHYL O-(3,5,6-TRICHLORO-2-PYRIDINYL PHOSPHOROTIOATE)||12768-48-8|39475-55-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020458 https://doi.org/10.22427/NTP-DATA-DTXSID4020458
ERPathway2016 ERPathway2016_376 Chlorpyrifos 2921-88-2 DTXSID4020458 ER Pathway Model, Antagonist Call Active Unitless CCOP(=S)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos 2921-88-2|Chlorpyrifos|2-Pyridinol, 3,5,6-trichloro-, O-ester with O,O-diethyl phosphorothioate|220-864-4|Bonidel|BRN 1545756|Caswell No. 219AA|Chlora|Chlora (insecticide)|Chloroban|Chlorofet|Chloropyrifos|Chloropyrifos-ethyl|Chloropyriphos|Chlorpyrifos E|Chlorpyrifos ethyl|Chlorpyrifos-ethyl|Chlorpyriphos|Chlorpyriphos-ethyl|Clorpiran|Clorpirifos|Coroban|CPF|CPF Zamba|Cyfos|Danusban|Detmol U.A.|Detmol ua|Dhanusban|Durmet|Dursban|Dursban 10CR|Dursban 20 EC|Dursban 48EC|Dursban 4E|Dursban 75WG|Dursban F|Dursban L.O.|Dursban Pro|Dursban R|Dursban TC|Dursband|Dursband 48|EC No.: 220-864-4|EF 1315|EINECS 220-864-4|Emperor|Empire 20|ENT 27311|Equity|Ethyl chlorpyriphos|Flower Power|Geodinfos|GF 2153|Gigant|Grofo|Grub Guard|Hilban|Killmaster|Klorpan|Klorpan 480 EC|LAF 1|Lentrek|Lock-On|Lorsban|Lorsban 15G|Lorsban 48E|Lorsban 50SL|Lorsban Advanced|m-Chlorpyrifos|Megaban|Megaban 20EC|Megaban 25WP|Megaban Super|Nufos|Nufos 4E|O,O-Diaethyl-O-3,5,6-trichlor-2-pyridylmonothiophosphat|O,O-DIETHYL O-(3,5,6-TRICHLORO-2-PYRIDINYL PHOSPHOROTIOATE)||12768-48-8|39475-55-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020458 https://doi.org/10.22427/NTP-DATA-DTXSID4020458
ARPathway2016 ARPathway2016_213 Chlorpyrifos oxon 5598-15-2 DTXSID1038666 1.0 Antagonist AR Pathway Model, Agonist AC50 37.3868617927244 uM CCOP(=O)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos oxon 5598-15-2|Chlorpyrifos oxon|2-Pyridinol, 3,5,6-trichloro-, diethyl phosphate (ester)|BRN 1545755|Chloropyrifos oxon|Chloropyrifos oxygen analog|Chlorpyrifos oxon|Chlorpyrifos oxygen analog|Chlorpyrifos-oxon|Diethyl-2,5,6-trichloro-2-pyridinol|Diethyl-3,5,6-trichloro-2-pyridyl phosphate|Dursban oxygen analog|Dursbanoxon|Fospirate-ethyl|O,O-Diethyl O-3,5,6-trichloro-2-pyridyl phosphate|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridinyl ester|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridyl ester|63034-37-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038666
ARPathway2016 ARPathway2016_213 Chlorpyrifos oxon 5598-15-2 DTXSID1038666 1.0 Antagonist AR Pathway Model, Agonist ACC 33.9685597236543 uM CCOP(=O)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos oxon 5598-15-2|Chlorpyrifos oxon|2-Pyridinol, 3,5,6-trichloro-, diethyl phosphate (ester)|BRN 1545755|Chloropyrifos oxon|Chloropyrifos oxygen analog|Chlorpyrifos oxon|Chlorpyrifos oxygen analog|Chlorpyrifos-oxon|Diethyl-2,5,6-trichloro-2-pyridinol|Diethyl-3,5,6-trichloro-2-pyridyl phosphate|Dursban oxygen analog|Dursbanoxon|Fospirate-ethyl|O,O-Diethyl O-3,5,6-trichloro-2-pyridyl phosphate|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridinyl ester|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridyl ester|63034-37-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038666
ARPathway2016 ARPathway2016_213 Chlorpyrifos oxon 5598-15-2 DTXSID1038666 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0544 Unitless CCOP(=O)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos oxon 5598-15-2|Chlorpyrifos oxon|2-Pyridinol, 3,5,6-trichloro-, diethyl phosphate (ester)|BRN 1545755|Chloropyrifos oxon|Chloropyrifos oxygen analog|Chlorpyrifos oxon|Chlorpyrifos oxygen analog|Chlorpyrifos-oxon|Diethyl-2,5,6-trichloro-2-pyridinol|Diethyl-3,5,6-trichloro-2-pyridyl phosphate|Dursban oxygen analog|Dursbanoxon|Fospirate-ethyl|O,O-Diethyl O-3,5,6-trichloro-2-pyridyl phosphate|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridinyl ester|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridyl ester|63034-37-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038666
ARPathway2016 ARPathway2016_213 Chlorpyrifos oxon 5598-15-2 DTXSID1038666 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=O)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos oxon 5598-15-2|Chlorpyrifos oxon|2-Pyridinol, 3,5,6-trichloro-, diethyl phosphate (ester)|BRN 1545755|Chloropyrifos oxon|Chloropyrifos oxygen analog|Chlorpyrifos oxon|Chlorpyrifos oxygen analog|Chlorpyrifos-oxon|Diethyl-2,5,6-trichloro-2-pyridinol|Diethyl-3,5,6-trichloro-2-pyridyl phosphate|Dursban oxygen analog|Dursbanoxon|Fospirate-ethyl|O,O-Diethyl O-3,5,6-trichloro-2-pyridyl phosphate|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridinyl ester|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridyl ester|63034-37-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038666
ARPathway2016 ARPathway2016_213 Chlorpyrifos oxon 5598-15-2 DTXSID1038666 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCOP(=O)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos oxon 5598-15-2|Chlorpyrifos oxon|2-Pyridinol, 3,5,6-trichloro-, diethyl phosphate (ester)|BRN 1545755|Chloropyrifos oxon|Chloropyrifos oxygen analog|Chlorpyrifos oxon|Chlorpyrifos oxygen analog|Chlorpyrifos-oxon|Diethyl-2,5,6-trichloro-2-pyridinol|Diethyl-3,5,6-trichloro-2-pyridyl phosphate|Dursban oxygen analog|Dursbanoxon|Fospirate-ethyl|O,O-Diethyl O-3,5,6-trichloro-2-pyridyl phosphate|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridinyl ester|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridyl ester|63034-37-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038666
ARPathway2016 ARPathway2016_213 Chlorpyrifos oxon 5598-15-2 DTXSID1038666 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=O)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos oxon 5598-15-2|Chlorpyrifos oxon|2-Pyridinol, 3,5,6-trichloro-, diethyl phosphate (ester)|BRN 1545755|Chloropyrifos oxon|Chloropyrifos oxygen analog|Chlorpyrifos oxon|Chlorpyrifos oxygen analog|Chlorpyrifos-oxon|Diethyl-2,5,6-trichloro-2-pyridinol|Diethyl-3,5,6-trichloro-2-pyridyl phosphate|Dursban oxygen analog|Dursbanoxon|Fospirate-ethyl|O,O-Diethyl O-3,5,6-trichloro-2-pyridyl phosphate|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridinyl ester|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridyl ester|63034-37-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038666
ERPathway2016 ERPathway2016_583 Chlorpyrifos oxon 5598-15-2 DTXSID1038666 A17 ER Pathway Model, Agonist Model Score 0 Unitless CCOP(=O)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos oxon 5598-15-2|Chlorpyrifos oxon|2-Pyridinol, 3,5,6-trichloro-, diethyl phosphate (ester)|BRN 1545755|Chloropyrifos oxon|Chloropyrifos oxygen analog|Chlorpyrifos oxon|Chlorpyrifos oxygen analog|Chlorpyrifos-oxon|Diethyl-2,5,6-trichloro-2-pyridinol|Diethyl-3,5,6-trichloro-2-pyridyl phosphate|Dursban oxygen analog|Dursbanoxon|Fospirate-ethyl|O,O-Diethyl O-3,5,6-trichloro-2-pyridyl phosphate|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridinyl ester|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridyl ester|63034-37-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038666
ERPathway2016 ERPathway2016_583 Chlorpyrifos oxon 5598-15-2 DTXSID1038666 A17 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=O)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos oxon 5598-15-2|Chlorpyrifos oxon|2-Pyridinol, 3,5,6-trichloro-, diethyl phosphate (ester)|BRN 1545755|Chloropyrifos oxon|Chloropyrifos oxygen analog|Chlorpyrifos oxon|Chlorpyrifos oxygen analog|Chlorpyrifos-oxon|Diethyl-2,5,6-trichloro-2-pyridinol|Diethyl-3,5,6-trichloro-2-pyridyl phosphate|Dursban oxygen analog|Dursbanoxon|Fospirate-ethyl|O,O-Diethyl O-3,5,6-trichloro-2-pyridyl phosphate|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridinyl ester|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridyl ester|63034-37-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038666
ERPathway2016 ERPathway2016_583 Chlorpyrifos oxon 5598-15-2 DTXSID1038666 A17 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=O)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos oxon 5598-15-2|Chlorpyrifos oxon|2-Pyridinol, 3,5,6-trichloro-, diethyl phosphate (ester)|BRN 1545755|Chloropyrifos oxon|Chloropyrifos oxygen analog|Chlorpyrifos oxon|Chlorpyrifos oxygen analog|Chlorpyrifos-oxon|Diethyl-2,5,6-trichloro-2-pyridinol|Diethyl-3,5,6-trichloro-2-pyridyl phosphate|Dursban oxygen analog|Dursbanoxon|Fospirate-ethyl|O,O-Diethyl O-3,5,6-trichloro-2-pyridyl phosphate|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridinyl ester|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridyl ester|63034-37-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038666
ERPathway2016 ERPathway2016_583 Chlorpyrifos oxon 5598-15-2 DTXSID1038666 A17 ER Pathway Model, Antagonist Call Inactive Unitless CCOP(=O)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos oxon 5598-15-2|Chlorpyrifos oxon|2-Pyridinol, 3,5,6-trichloro-, diethyl phosphate (ester)|BRN 1545755|Chloropyrifos oxon|Chloropyrifos oxygen analog|Chlorpyrifos oxon|Chlorpyrifos oxygen analog|Chlorpyrifos-oxon|Diethyl-2,5,6-trichloro-2-pyridinol|Diethyl-3,5,6-trichloro-2-pyridyl phosphate|Dursban oxygen analog|Dursbanoxon|Fospirate-ethyl|O,O-Diethyl O-3,5,6-trichloro-2-pyridyl phosphate|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridinyl ester|Phosphoric acid, diethyl 3,5,6-trichloro-2-pyridyl ester|63034-37-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1038666
ARPathway2016 ARPathway2016_1330 Chlorpyrifos-methyl 5598-13-0 DTXSID6032352 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COP(=S)(OC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos-methyl 5598-13-0|Chlorpyrifos-methyl|227-011-5|BRN 1541078|Caswell No. 179AA|Chloropyriphos-methyl|Chlorpyrifos M|Chlorpyrifos methyl|Chlorpyrifos O,O-dimethyl analog|Chlorpyriphos-methyl|clorpirifos-metil|Dursban ME|Dursban methyl|EC No.: 227-011-5|EINECS 227-011-5|EPA Pesticide Chemical Code 059102|Methyl chlorpyrifos|Methyl chlorpyriphos|Methyl Dursban|Methylchlorpyrifos|Noltran|NSC 60380|O-(3,5,6-Trichloro-2-pyridinyl) O,O-dimethyl phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridinyl) phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) thiophosphate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl)phosphorothioate|O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate|O,O-Dimethyl O-3,5,6-trichloro-2-pyridyl phosphorothioate|O,O-Dimethyl-O-(3,5,6-trichloro-2-pyridyl)phosphorothioate|Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridinyl) ester|Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridyl) ester|Phosphorothioic acid, O,O-dimethylO-(3,5,6-tri https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032352
ARPathway2016 ARPathway2016_1330 Chlorpyrifos-methyl 5598-13-0 DTXSID6032352 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COP(=S)(OC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos-methyl 5598-13-0|Chlorpyrifos-methyl|227-011-5|BRN 1541078|Caswell No. 179AA|Chloropyriphos-methyl|Chlorpyrifos M|Chlorpyrifos methyl|Chlorpyrifos O,O-dimethyl analog|Chlorpyriphos-methyl|clorpirifos-metil|Dursban ME|Dursban methyl|EC No.: 227-011-5|EINECS 227-011-5|EPA Pesticide Chemical Code 059102|Methyl chlorpyrifos|Methyl chlorpyriphos|Methyl Dursban|Methylchlorpyrifos|Noltran|NSC 60380|O-(3,5,6-Trichloro-2-pyridinyl) O,O-dimethyl phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridinyl) phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) thiophosphate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl)phosphorothioate|O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate|O,O-Dimethyl O-3,5,6-trichloro-2-pyridyl phosphorothioate|O,O-Dimethyl-O-(3,5,6-trichloro-2-pyridyl)phosphorothioate|Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridinyl) ester|Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridyl) ester|Phosphorothioic acid, O,O-dimethylO-(3,5,6-tri https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032352
ARPathway2016 ARPathway2016_1330 Chlorpyrifos-methyl 5598-13-0 DTXSID6032352 0.0 AR Pathway Model, Agonist Call Inactive Unitless COP(=S)(OC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos-methyl 5598-13-0|Chlorpyrifos-methyl|227-011-5|BRN 1541078|Caswell No. 179AA|Chloropyriphos-methyl|Chlorpyrifos M|Chlorpyrifos methyl|Chlorpyrifos O,O-dimethyl analog|Chlorpyriphos-methyl|clorpirifos-metil|Dursban ME|Dursban methyl|EC No.: 227-011-5|EINECS 227-011-5|EPA Pesticide Chemical Code 059102|Methyl chlorpyrifos|Methyl chlorpyriphos|Methyl Dursban|Methylchlorpyrifos|Noltran|NSC 60380|O-(3,5,6-Trichloro-2-pyridinyl) O,O-dimethyl phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridinyl) phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) thiophosphate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl)phosphorothioate|O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate|O,O-Dimethyl O-3,5,6-trichloro-2-pyridyl phosphorothioate|O,O-Dimethyl-O-(3,5,6-trichloro-2-pyridyl)phosphorothioate|Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridinyl) ester|Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridyl) ester|Phosphorothioic acid, O,O-dimethylO-(3,5,6-tri https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032352
ARPathway2016 ARPathway2016_1330 Chlorpyrifos-methyl 5598-13-0 DTXSID6032352 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COP(=S)(OC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos-methyl 5598-13-0|Chlorpyrifos-methyl|227-011-5|BRN 1541078|Caswell No. 179AA|Chloropyriphos-methyl|Chlorpyrifos M|Chlorpyrifos methyl|Chlorpyrifos O,O-dimethyl analog|Chlorpyriphos-methyl|clorpirifos-metil|Dursban ME|Dursban methyl|EC No.: 227-011-5|EINECS 227-011-5|EPA Pesticide Chemical Code 059102|Methyl chlorpyrifos|Methyl chlorpyriphos|Methyl Dursban|Methylchlorpyrifos|Noltran|NSC 60380|O-(3,5,6-Trichloro-2-pyridinyl) O,O-dimethyl phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridinyl) phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) thiophosphate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl)phosphorothioate|O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate|O,O-Dimethyl O-3,5,6-trichloro-2-pyridyl phosphorothioate|O,O-Dimethyl-O-(3,5,6-trichloro-2-pyridyl)phosphorothioate|Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridinyl) ester|Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridyl) ester|Phosphorothioic acid, O,O-dimethylO-(3,5,6-tri https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032352
ERPathway2016 ERPathway2016_527 Chlorpyrifos-methyl 5598-13-0 DTXSID6032352 ER Pathway Model, Agonist Model Score 0 Unitless COP(=S)(OC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos-methyl 5598-13-0|Chlorpyrifos-methyl|227-011-5|BRN 1541078|Caswell No. 179AA|Chloropyriphos-methyl|Chlorpyrifos M|Chlorpyrifos methyl|Chlorpyrifos O,O-dimethyl analog|Chlorpyriphos-methyl|clorpirifos-metil|Dursban ME|Dursban methyl|EC No.: 227-011-5|EINECS 227-011-5|EPA Pesticide Chemical Code 059102|Methyl chlorpyrifos|Methyl chlorpyriphos|Methyl Dursban|Methylchlorpyrifos|Noltran|NSC 60380|O-(3,5,6-Trichloro-2-pyridinyl) O,O-dimethyl phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridinyl) phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) thiophosphate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl)phosphorothioate|O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate|O,O-Dimethyl O-3,5,6-trichloro-2-pyridyl phosphorothioate|O,O-Dimethyl-O-(3,5,6-trichloro-2-pyridyl)phosphorothioate|Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridinyl) ester|Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridyl) ester|Phosphorothioic acid, O,O-dimethylO-(3,5,6-tri https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032352
ERPathway2016 ERPathway2016_527 Chlorpyrifos-methyl 5598-13-0 DTXSID6032352 ER Pathway Model, Antagonist Model Score 0 Unitless COP(=S)(OC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos-methyl 5598-13-0|Chlorpyrifos-methyl|227-011-5|BRN 1541078|Caswell No. 179AA|Chloropyriphos-methyl|Chlorpyrifos M|Chlorpyrifos methyl|Chlorpyrifos O,O-dimethyl analog|Chlorpyriphos-methyl|clorpirifos-metil|Dursban ME|Dursban methyl|EC No.: 227-011-5|EINECS 227-011-5|EPA Pesticide Chemical Code 059102|Methyl chlorpyrifos|Methyl chlorpyriphos|Methyl Dursban|Methylchlorpyrifos|Noltran|NSC 60380|O-(3,5,6-Trichloro-2-pyridinyl) O,O-dimethyl phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridinyl) phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) thiophosphate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl)phosphorothioate|O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate|O,O-Dimethyl O-3,5,6-trichloro-2-pyridyl phosphorothioate|O,O-Dimethyl-O-(3,5,6-trichloro-2-pyridyl)phosphorothioate|Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridinyl) ester|Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridyl) ester|Phosphorothioic acid, O,O-dimethylO-(3,5,6-tri https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032352
ERPathway2016 ERPathway2016_527 Chlorpyrifos-methyl 5598-13-0 DTXSID6032352 ER Pathway Model, Agonist Call Inactive Unitless COP(=S)(OC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos-methyl 5598-13-0|Chlorpyrifos-methyl|227-011-5|BRN 1541078|Caswell No. 179AA|Chloropyriphos-methyl|Chlorpyrifos M|Chlorpyrifos methyl|Chlorpyrifos O,O-dimethyl analog|Chlorpyriphos-methyl|clorpirifos-metil|Dursban ME|Dursban methyl|EC No.: 227-011-5|EINECS 227-011-5|EPA Pesticide Chemical Code 059102|Methyl chlorpyrifos|Methyl chlorpyriphos|Methyl Dursban|Methylchlorpyrifos|Noltran|NSC 60380|O-(3,5,6-Trichloro-2-pyridinyl) O,O-dimethyl phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridinyl) phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) thiophosphate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl)phosphorothioate|O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate|O,O-Dimethyl O-3,5,6-trichloro-2-pyridyl phosphorothioate|O,O-Dimethyl-O-(3,5,6-trichloro-2-pyridyl)phosphorothioate|Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridinyl) ester|Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridyl) ester|Phosphorothioic acid, O,O-dimethylO-(3,5,6-tri https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032352
ERPathway2016 ERPathway2016_527 Chlorpyrifos-methyl 5598-13-0 DTXSID6032352 ER Pathway Model, Antagonist Call Inactive Unitless COP(=S)(OC)OC1=NC(Cl)=C(Cl)C=C1Cl Chlorpyrifos-methyl 5598-13-0|Chlorpyrifos-methyl|227-011-5|BRN 1541078|Caswell No. 179AA|Chloropyriphos-methyl|Chlorpyrifos M|Chlorpyrifos methyl|Chlorpyrifos O,O-dimethyl analog|Chlorpyriphos-methyl|clorpirifos-metil|Dursban ME|Dursban methyl|EC No.: 227-011-5|EINECS 227-011-5|EPA Pesticide Chemical Code 059102|Methyl chlorpyrifos|Methyl chlorpyriphos|Methyl Dursban|Methylchlorpyrifos|Noltran|NSC 60380|O-(3,5,6-Trichloro-2-pyridinyl) O,O-dimethyl phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridinyl) phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) phosphorothioate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl) thiophosphate|O,O-Dimethyl O-(3,5,6-trichloro-2-pyridyl)phosphorothioate|O,O-dimethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate|O,O-Dimethyl O-3,5,6-trichloro-2-pyridyl phosphorothioate|O,O-Dimethyl-O-(3,5,6-trichloro-2-pyridyl)phosphorothioate|Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridinyl) ester|Phosphorothioic acid, O,O-dimethyl O-(3,5,6-trichloro-2-pyridyl) ester|Phosphorothioic acid, O,O-dimethylO-(3,5,6-tri https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032352
ARPathway2016 ARPathway2016_954 Chlorthal-dimethyl 1861-32-1 DTXSID0024000 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=C(Cl)C(Cl)=C(C(=O)OC)C(Cl)=C1Cl Chlorthal-dimethyl 1861-32-1|Chlorthal-dimethyl|1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, 1,4-dimethyl ester|1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, dimethyl ester|2,3,5,6-Tetrachloro-1,4-benzenedicarboxylic acid dimethyl ester|2,3,5,6-Tetrachloroterephthalic acid dimethyl ester|2,3,5,6-Tetrachlorphthalsaure-dimethylester|217-464-7|BRN 1888840|Caswell No. 382|Chlorthal dimethyl ester|Chlorthal-methyl|clortal-dimetil|Dacthal|Dacthalor|DCPA|DCPA (VAN)|Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate|Dimethyl 2,3,5,6-tetrachloroterephthalate|Dimethyl tetrachloro-1,4-benzenedicarboxylate|Dimethyl tetrachloroterephthalate|Dimethylester kyseliny tetrachlortereftalove|EC No.: 217-464-7|EINECS 217-464-7|EPA Pesticide Chemical Code 078701|NSC 155745|SDS-893|Terephthalic acid, tetrachloro-, dimethyl ester|Tetrachloroterephthalic acid dimethyl ester|UNII-ZU3X5G2QLR|65862-98-8|87209-56-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024000
ARPathway2016 ARPathway2016_954 Chlorthal-dimethyl 1861-32-1 DTXSID0024000 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=C(Cl)C(Cl)=C(C(=O)OC)C(Cl)=C1Cl Chlorthal-dimethyl 1861-32-1|Chlorthal-dimethyl|1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, 1,4-dimethyl ester|1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, dimethyl ester|2,3,5,6-Tetrachloro-1,4-benzenedicarboxylic acid dimethyl ester|2,3,5,6-Tetrachloroterephthalic acid dimethyl ester|2,3,5,6-Tetrachlorphthalsaure-dimethylester|217-464-7|BRN 1888840|Caswell No. 382|Chlorthal dimethyl ester|Chlorthal-methyl|clortal-dimetil|Dacthal|Dacthalor|DCPA|DCPA (VAN)|Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate|Dimethyl 2,3,5,6-tetrachloroterephthalate|Dimethyl tetrachloro-1,4-benzenedicarboxylate|Dimethyl tetrachloroterephthalate|Dimethylester kyseliny tetrachlortereftalove|EC No.: 217-464-7|EINECS 217-464-7|EPA Pesticide Chemical Code 078701|NSC 155745|SDS-893|Terephthalic acid, tetrachloro-, dimethyl ester|Tetrachloroterephthalic acid dimethyl ester|UNII-ZU3X5G2QLR|65862-98-8|87209-56-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024000
ARPathway2016 ARPathway2016_954 Chlorthal-dimethyl 1861-32-1 DTXSID0024000 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=C(Cl)C(Cl)=C(C(=O)OC)C(Cl)=C1Cl Chlorthal-dimethyl 1861-32-1|Chlorthal-dimethyl|1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, 1,4-dimethyl ester|1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, dimethyl ester|2,3,5,6-Tetrachloro-1,4-benzenedicarboxylic acid dimethyl ester|2,3,5,6-Tetrachloroterephthalic acid dimethyl ester|2,3,5,6-Tetrachlorphthalsaure-dimethylester|217-464-7|BRN 1888840|Caswell No. 382|Chlorthal dimethyl ester|Chlorthal-methyl|clortal-dimetil|Dacthal|Dacthalor|DCPA|DCPA (VAN)|Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate|Dimethyl 2,3,5,6-tetrachloroterephthalate|Dimethyl tetrachloro-1,4-benzenedicarboxylate|Dimethyl tetrachloroterephthalate|Dimethylester kyseliny tetrachlortereftalove|EC No.: 217-464-7|EINECS 217-464-7|EPA Pesticide Chemical Code 078701|NSC 155745|SDS-893|Terephthalic acid, tetrachloro-, dimethyl ester|Tetrachloroterephthalic acid dimethyl ester|UNII-ZU3X5G2QLR|65862-98-8|87209-56-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024000
ARPathway2016 ARPathway2016_954 Chlorthal-dimethyl 1861-32-1 DTXSID0024000 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=C(Cl)C(Cl)=C(C(=O)OC)C(Cl)=C1Cl Chlorthal-dimethyl 1861-32-1|Chlorthal-dimethyl|1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, 1,4-dimethyl ester|1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, dimethyl ester|2,3,5,6-Tetrachloro-1,4-benzenedicarboxylic acid dimethyl ester|2,3,5,6-Tetrachloroterephthalic acid dimethyl ester|2,3,5,6-Tetrachlorphthalsaure-dimethylester|217-464-7|BRN 1888840|Caswell No. 382|Chlorthal dimethyl ester|Chlorthal-methyl|clortal-dimetil|Dacthal|Dacthalor|DCPA|DCPA (VAN)|Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate|Dimethyl 2,3,5,6-tetrachloroterephthalate|Dimethyl tetrachloro-1,4-benzenedicarboxylate|Dimethyl tetrachloroterephthalate|Dimethylester kyseliny tetrachlortereftalove|EC No.: 217-464-7|EINECS 217-464-7|EPA Pesticide Chemical Code 078701|NSC 155745|SDS-893|Terephthalic acid, tetrachloro-, dimethyl ester|Tetrachloroterephthalic acid dimethyl ester|UNII-ZU3X5G2QLR|65862-98-8|87209-56-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024000
ERPathway2016 ERPathway2016_901 Chlorthal-dimethyl 1861-32-1 DTXSID0024000 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=C(Cl)C(Cl)=C(C(=O)OC)C(Cl)=C1Cl Chlorthal-dimethyl 1861-32-1|Chlorthal-dimethyl|1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, 1,4-dimethyl ester|1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, dimethyl ester|2,3,5,6-Tetrachloro-1,4-benzenedicarboxylic acid dimethyl ester|2,3,5,6-Tetrachloroterephthalic acid dimethyl ester|2,3,5,6-Tetrachlorphthalsaure-dimethylester|217-464-7|BRN 1888840|Caswell No. 382|Chlorthal dimethyl ester|Chlorthal-methyl|clortal-dimetil|Dacthal|Dacthalor|DCPA|DCPA (VAN)|Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate|Dimethyl 2,3,5,6-tetrachloroterephthalate|Dimethyl tetrachloro-1,4-benzenedicarboxylate|Dimethyl tetrachloroterephthalate|Dimethylester kyseliny tetrachlortereftalove|EC No.: 217-464-7|EINECS 217-464-7|EPA Pesticide Chemical Code 078701|NSC 155745|SDS-893|Terephthalic acid, tetrachloro-, dimethyl ester|Tetrachloroterephthalic acid dimethyl ester|UNII-ZU3X5G2QLR|65862-98-8|87209-56-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024000
ERPathway2016 ERPathway2016_901 Chlorthal-dimethyl 1861-32-1 DTXSID0024000 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=C(Cl)C(Cl)=C(C(=O)OC)C(Cl)=C1Cl Chlorthal-dimethyl 1861-32-1|Chlorthal-dimethyl|1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, 1,4-dimethyl ester|1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, dimethyl ester|2,3,5,6-Tetrachloro-1,4-benzenedicarboxylic acid dimethyl ester|2,3,5,6-Tetrachloroterephthalic acid dimethyl ester|2,3,5,6-Tetrachlorphthalsaure-dimethylester|217-464-7|BRN 1888840|Caswell No. 382|Chlorthal dimethyl ester|Chlorthal-methyl|clortal-dimetil|Dacthal|Dacthalor|DCPA|DCPA (VAN)|Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate|Dimethyl 2,3,5,6-tetrachloroterephthalate|Dimethyl tetrachloro-1,4-benzenedicarboxylate|Dimethyl tetrachloroterephthalate|Dimethylester kyseliny tetrachlortereftalove|EC No.: 217-464-7|EINECS 217-464-7|EPA Pesticide Chemical Code 078701|NSC 155745|SDS-893|Terephthalic acid, tetrachloro-, dimethyl ester|Tetrachloroterephthalic acid dimethyl ester|UNII-ZU3X5G2QLR|65862-98-8|87209-56-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024000
ERPathway2016 ERPathway2016_901 Chlorthal-dimethyl 1861-32-1 DTXSID0024000 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=C(Cl)C(Cl)=C(C(=O)OC)C(Cl)=C1Cl Chlorthal-dimethyl 1861-32-1|Chlorthal-dimethyl|1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, 1,4-dimethyl ester|1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, dimethyl ester|2,3,5,6-Tetrachloro-1,4-benzenedicarboxylic acid dimethyl ester|2,3,5,6-Tetrachloroterephthalic acid dimethyl ester|2,3,5,6-Tetrachlorphthalsaure-dimethylester|217-464-7|BRN 1888840|Caswell No. 382|Chlorthal dimethyl ester|Chlorthal-methyl|clortal-dimetil|Dacthal|Dacthalor|DCPA|DCPA (VAN)|Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate|Dimethyl 2,3,5,6-tetrachloroterephthalate|Dimethyl tetrachloro-1,4-benzenedicarboxylate|Dimethyl tetrachloroterephthalate|Dimethylester kyseliny tetrachlortereftalove|EC No.: 217-464-7|EINECS 217-464-7|EPA Pesticide Chemical Code 078701|NSC 155745|SDS-893|Terephthalic acid, tetrachloro-, dimethyl ester|Tetrachloroterephthalic acid dimethyl ester|UNII-ZU3X5G2QLR|65862-98-8|87209-56-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024000
ERPathway2016 ERPathway2016_901 Chlorthal-dimethyl 1861-32-1 DTXSID0024000 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=C(Cl)C(Cl)=C(C(=O)OC)C(Cl)=C1Cl Chlorthal-dimethyl 1861-32-1|Chlorthal-dimethyl|1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, 1,4-dimethyl ester|1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, dimethyl ester|2,3,5,6-Tetrachloro-1,4-benzenedicarboxylic acid dimethyl ester|2,3,5,6-Tetrachloroterephthalic acid dimethyl ester|2,3,5,6-Tetrachlorphthalsaure-dimethylester|217-464-7|BRN 1888840|Caswell No. 382|Chlorthal dimethyl ester|Chlorthal-methyl|clortal-dimetil|Dacthal|Dacthalor|DCPA|DCPA (VAN)|Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate|Dimethyl 2,3,5,6-tetrachloroterephthalate|Dimethyl tetrachloro-1,4-benzenedicarboxylate|Dimethyl tetrachloroterephthalate|Dimethylester kyseliny tetrachlortereftalove|EC No.: 217-464-7|EINECS 217-464-7|EPA Pesticide Chemical Code 078701|NSC 155745|SDS-893|Terephthalic acid, tetrachloro-, dimethyl ester|Tetrachloroterephthalic acid dimethyl ester|UNII-ZU3X5G2QLR|65862-98-8|87209-56-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024000
ARPathway2016 ARPathway2016_1229 Chrysin 480-40-0 DTXSID1022396 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=CC=C1 Chrysin 480-40-0|Chrysin|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-|5-18-04-00076|5,7-dihidroxi-2-fenil-4H-benzo[b]piran-4-ona|5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo[b]pyran-4-on|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyran-4-one|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyranne-4-one|5,7-Dihydroxy-2-phenylchromen-4-one|5,7-Dihydroxyflavone|BRN 0233276|EINECS 207-549-7|Flavone, 5,7-dihydroxy-|NSC 407436|UNII-3CN01F5ZJ5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022396
ARPathway2016 ARPathway2016_1229 Chrysin 480-40-0 DTXSID1022396 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=CC=C1 Chrysin 480-40-0|Chrysin|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-|5-18-04-00076|5,7-dihidroxi-2-fenil-4H-benzo[b]piran-4-ona|5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo[b]pyran-4-on|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyran-4-one|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyranne-4-one|5,7-Dihydroxy-2-phenylchromen-4-one|5,7-Dihydroxyflavone|BRN 0233276|EINECS 207-549-7|Flavone, 5,7-dihydroxy-|NSC 407436|UNII-3CN01F5ZJ5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022396
ARPathway2016 ARPathway2016_1229 Chrysin 480-40-0 DTXSID1022396 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=CC=C1 Chrysin 480-40-0|Chrysin|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-|5-18-04-00076|5,7-dihidroxi-2-fenil-4H-benzo[b]piran-4-ona|5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo[b]pyran-4-on|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyran-4-one|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyranne-4-one|5,7-Dihydroxy-2-phenylchromen-4-one|5,7-Dihydroxyflavone|BRN 0233276|EINECS 207-549-7|Flavone, 5,7-dihydroxy-|NSC 407436|UNII-3CN01F5ZJ5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022396
ARPathway2016 ARPathway2016_1229 Chrysin 480-40-0 DTXSID1022396 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=CC=C1 Chrysin 480-40-0|Chrysin|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-|5-18-04-00076|5,7-dihidroxi-2-fenil-4H-benzo[b]piran-4-ona|5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo[b]pyran-4-on|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyran-4-one|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyranne-4-one|5,7-Dihydroxy-2-phenylchromen-4-one|5,7-Dihydroxyflavone|BRN 0233276|EINECS 207-549-7|Flavone, 5,7-dihydroxy-|NSC 407436|UNII-3CN01F5ZJ5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022396
ERPathway2016 ERPathway2016_225 Chrysin 480-40-0 DTXSID1022396 Agonist ER Pathway Model, Antagonist AC50 10.7043553773797 uM OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=CC=C1 Chrysin 480-40-0|Chrysin|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-|5-18-04-00076|5,7-dihidroxi-2-fenil-4H-benzo[b]piran-4-ona|5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo[b]pyran-4-on|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyran-4-one|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyranne-4-one|5,7-Dihydroxy-2-phenylchromen-4-one|5,7-Dihydroxyflavone|BRN 0233276|EINECS 207-549-7|Flavone, 5,7-dihydroxy-|NSC 407436|UNII-3CN01F5ZJ5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022396
ERPathway2016 ERPathway2016_225 Chrysin 480-40-0 DTXSID1022396 Agonist ER Pathway Model, Antagonist ACC 7.60425745582621 uM OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=CC=C1 Chrysin 480-40-0|Chrysin|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-|5-18-04-00076|5,7-dihidroxi-2-fenil-4H-benzo[b]piran-4-ona|5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo[b]pyran-4-on|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyran-4-one|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyranne-4-one|5,7-Dihydroxy-2-phenylchromen-4-one|5,7-Dihydroxyflavone|BRN 0233276|EINECS 207-549-7|Flavone, 5,7-dihydroxy-|NSC 407436|UNII-3CN01F5ZJ5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022396
ERPathway2016 ERPathway2016_225 Chrysin 480-40-0 DTXSID1022396 Agonist ER Pathway Model, Agonist Model Score 0.134 Unitless OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=CC=C1 Chrysin 480-40-0|Chrysin|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-|5-18-04-00076|5,7-dihidroxi-2-fenil-4H-benzo[b]piran-4-ona|5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo[b]pyran-4-on|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyran-4-one|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyranne-4-one|5,7-Dihydroxy-2-phenylchromen-4-one|5,7-Dihydroxyflavone|BRN 0233276|EINECS 207-549-7|Flavone, 5,7-dihydroxy-|NSC 407436|UNII-3CN01F5ZJ5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022396
ERPathway2016 ERPathway2016_225 Chrysin 480-40-0 DTXSID1022396 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=CC=C1 Chrysin 480-40-0|Chrysin|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-|5-18-04-00076|5,7-dihidroxi-2-fenil-4H-benzo[b]piran-4-ona|5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo[b]pyran-4-on|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyran-4-one|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyranne-4-one|5,7-Dihydroxy-2-phenylchromen-4-one|5,7-Dihydroxyflavone|BRN 0233276|EINECS 207-549-7|Flavone, 5,7-dihydroxy-|NSC 407436|UNII-3CN01F5ZJ5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022396
ERPathway2016 ERPathway2016_225 Chrysin 480-40-0 DTXSID1022396 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=CC=C1 Chrysin 480-40-0|Chrysin|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-|5-18-04-00076|5,7-dihidroxi-2-fenil-4H-benzo[b]piran-4-ona|5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo[b]pyran-4-on|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyran-4-one|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyranne-4-one|5,7-Dihydroxy-2-phenylchromen-4-one|5,7-Dihydroxyflavone|BRN 0233276|EINECS 207-549-7|Flavone, 5,7-dihydroxy-|NSC 407436|UNII-3CN01F5ZJ5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022396
ERPathway2016 ERPathway2016_225 Chrysin 480-40-0 DTXSID1022396 Agonist ER Pathway Model, Antagonist Call Active Unitless OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=CC=C1 Chrysin 480-40-0|Chrysin|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-|5-18-04-00076|5,7-dihidroxi-2-fenil-4H-benzo[b]piran-4-ona|5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one|5,7-Dihydroxy-2-phenyl-4H-benzo[b]pyran-4-on|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyran-4-one|5,7-dihydroxy-2-phenyl-4H-benzo[b]pyranne-4-one|5,7-Dihydroxy-2-phenylchromen-4-one|5,7-Dihydroxyflavone|BRN 0233276|EINECS 207-549-7|Flavone, 5,7-dihydroxy-|NSC 407436|UNII-3CN01F5ZJ5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022396
ARPathway2016 ARPathway2016_1833 CI-1018 NOCAS_47248 DTXSID0047248 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC2=C3N(CC2)C(=O)[C@H](NC(=O)C2=CC=NC=C2)N=C(C2=CC=CC=C2)C3=C1 CI-1018 NOCAS_47248|CI-1018|PD-168787 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047248
ARPathway2016 ARPathway2016_1833 CI-1018 NOCAS_47248 DTXSID0047248 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC2=C3N(CC2)C(=O)[C@H](NC(=O)C2=CC=NC=C2)N=C(C2=CC=CC=C2)C3=C1 CI-1018 NOCAS_47248|CI-1018|PD-168787 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047248
ARPathway2016 ARPathway2016_1833 CI-1018 NOCAS_47248 DTXSID0047248 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC2=C3N(CC2)C(=O)[C@H](NC(=O)C2=CC=NC=C2)N=C(C2=CC=CC=C2)C3=C1 CI-1018 NOCAS_47248|CI-1018|PD-168787 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047248
ARPathway2016 ARPathway2016_1833 CI-1018 NOCAS_47248 DTXSID0047248 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC2=C3N(CC2)C(=O)[C@H](NC(=O)C2=CC=NC=C2)N=C(C2=CC=CC=C2)C3=C1 CI-1018 NOCAS_47248|CI-1018|PD-168787 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047248
ERPathway2016 ERPathway2016_751 CI-1018 NOCAS_47248 DTXSID0047248 A13 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC2=C3N(CC2)C(=O)[C@H](NC(=O)C2=CC=NC=C2)N=C(C2=CC=CC=C2)C3=C1 CI-1018 NOCAS_47248|CI-1018|PD-168787 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047248
ERPathway2016 ERPathway2016_751 CI-1018 NOCAS_47248 DTXSID0047248 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC2=C3N(CC2)C(=O)[C@H](NC(=O)C2=CC=NC=C2)N=C(C2=CC=CC=C2)C3=C1 CI-1018 NOCAS_47248|CI-1018|PD-168787 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047248
ERPathway2016 ERPathway2016_751 CI-1018 NOCAS_47248 DTXSID0047248 A13 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC2=C3N(CC2)C(=O)[C@H](NC(=O)C2=CC=NC=C2)N=C(C2=CC=CC=C2)C3=C1 CI-1018 NOCAS_47248|CI-1018|PD-168787 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047248
ERPathway2016 ERPathway2016_751 CI-1018 NOCAS_47248 DTXSID0047248 A13 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC2=C3N(CC2)C(=O)[C@H](NC(=O)C2=CC=NC=C2)N=C(C2=CC=CC=C2)C3=C1 CI-1018 NOCAS_47248|CI-1018|PD-168787 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047248
ARPathway2016 ARPathway2016_983 CI-1029 207736-05-8 DTXSID8047262 1.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)[C@]1(CCC2=CC=C(N)C=C2)CC(O)=C(SC2=CC(C)=C(CO)C=C2C(C)(C)C)C(=O)O1 CI-1029 207736-05-8|CI-1029|2H-Pyran-2-one, 6(S)-(2-(4-aminophenyl)ethyl)-3-((2-(1,1-dimethylethyl)-4-(hydroxymethyl)-5-methylphenyl)thio)-5,6-dihydro-4-hydroxy-6-(1-methylethyl)-|PD-178390 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047262
ARPathway2016 ARPathway2016_983 CI-1029 207736-05-8 DTXSID8047262 1.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)[C@]1(CCC2=CC=C(N)C=C2)CC(O)=C(SC2=CC(C)=C(CO)C=C2C(C)(C)C)C(=O)O1 CI-1029 207736-05-8|CI-1029|2H-Pyran-2-one, 6(S)-(2-(4-aminophenyl)ethyl)-3-((2-(1,1-dimethylethyl)-4-(hydroxymethyl)-5-methylphenyl)thio)-5,6-dihydro-4-hydroxy-6-(1-methylethyl)-|PD-178390 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047262
ARPathway2016 ARPathway2016_983 CI-1029 207736-05-8 DTXSID8047262 1.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)[C@]1(CCC2=CC=C(N)C=C2)CC(O)=C(SC2=CC(C)=C(CO)C=C2C(C)(C)C)C(=O)O1 CI-1029 207736-05-8|CI-1029|2H-Pyran-2-one, 6(S)-(2-(4-aminophenyl)ethyl)-3-((2-(1,1-dimethylethyl)-4-(hydroxymethyl)-5-methylphenyl)thio)-5,6-dihydro-4-hydroxy-6-(1-methylethyl)-|PD-178390 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047262
ARPathway2016 ARPathway2016_983 CI-1029 207736-05-8 DTXSID8047262 1.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)[C@]1(CCC2=CC=C(N)C=C2)CC(O)=C(SC2=CC(C)=C(CO)C=C2C(C)(C)C)C(=O)O1 CI-1029 207736-05-8|CI-1029|2H-Pyran-2-one, 6(S)-(2-(4-aminophenyl)ethyl)-3-((2-(1,1-dimethylethyl)-4-(hydroxymethyl)-5-methylphenyl)thio)-5,6-dihydro-4-hydroxy-6-(1-methylethyl)-|PD-178390 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047262
ERPathway2016 ERPathway2016_1369 CI-1029 207736-05-8 DTXSID8047262 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)[C@]1(CCC2=CC=C(N)C=C2)CC(O)=C(SC2=CC(C)=C(CO)C=C2C(C)(C)C)C(=O)O1 CI-1029 207736-05-8|CI-1029|2H-Pyran-2-one, 6(S)-(2-(4-aminophenyl)ethyl)-3-((2-(1,1-dimethylethyl)-4-(hydroxymethyl)-5-methylphenyl)thio)-5,6-dihydro-4-hydroxy-6-(1-methylethyl)-|PD-178390 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047262
ERPathway2016 ERPathway2016_1369 CI-1029 207736-05-8 DTXSID8047262 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)[C@]1(CCC2=CC=C(N)C=C2)CC(O)=C(SC2=CC(C)=C(CO)C=C2C(C)(C)C)C(=O)O1 CI-1029 207736-05-8|CI-1029|2H-Pyran-2-one, 6(S)-(2-(4-aminophenyl)ethyl)-3-((2-(1,1-dimethylethyl)-4-(hydroxymethyl)-5-methylphenyl)thio)-5,6-dihydro-4-hydroxy-6-(1-methylethyl)-|PD-178390 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047262
ERPathway2016 ERPathway2016_1369 CI-1029 207736-05-8 DTXSID8047262 ER Pathway Model, Agonist Call Inactive Unitless CC(C)[C@]1(CCC2=CC=C(N)C=C2)CC(O)=C(SC2=CC(C)=C(CO)C=C2C(C)(C)C)C(=O)O1 CI-1029 207736-05-8|CI-1029|2H-Pyran-2-one, 6(S)-(2-(4-aminophenyl)ethyl)-3-((2-(1,1-dimethylethyl)-4-(hydroxymethyl)-5-methylphenyl)thio)-5,6-dihydro-4-hydroxy-6-(1-methylethyl)-|PD-178390 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047262
ERPathway2016 ERPathway2016_1369 CI-1029 207736-05-8 DTXSID8047262 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)[C@]1(CCC2=CC=C(N)C=C2)CC(O)=C(SC2=CC(C)=C(CO)C=C2C(C)(C)C)C(=O)O1 CI-1029 207736-05-8|CI-1029|2H-Pyran-2-one, 6(S)-(2-(4-aminophenyl)ethyl)-3-((2-(1,1-dimethylethyl)-4-(hydroxymethyl)-5-methylphenyl)thio)-5,6-dihydro-4-hydroxy-6-(1-methylethyl)-|PD-178390 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047262
ARPathway2016 ARPathway2016_1837 CI-1044 NOCAS_47291 DTXSID5047291 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC2=C3N(CCC3=C1)C(=O)[C@H](NC(=O)C1=CC=CN=C1)N=C2C1=CC=CC=C1 CI-1044 NOCAS_47291|CI-1044|PD-0189659 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047291
ARPathway2016 ARPathway2016_1837 CI-1044 NOCAS_47291 DTXSID5047291 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=CC2=C3N(CCC3=C1)C(=O)[C@H](NC(=O)C1=CC=CN=C1)N=C2C1=CC=CC=C1 CI-1044 NOCAS_47291|CI-1044|PD-0189659 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047291
ARPathway2016 ARPathway2016_1837 CI-1044 NOCAS_47291 DTXSID5047291 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC2=C3N(CCC3=C1)C(=O)[C@H](NC(=O)C1=CC=CN=C1)N=C2C1=CC=CC=C1 CI-1044 NOCAS_47291|CI-1044|PD-0189659 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047291
ARPathway2016 ARPathway2016_1837 CI-1044 NOCAS_47291 DTXSID5047291 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC2=C3N(CCC3=C1)C(=O)[C@H](NC(=O)C1=CC=CN=C1)N=C2C1=CC=CC=C1 CI-1044 NOCAS_47291|CI-1044|PD-0189659 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047291
ERPathway2016 ERPathway2016_912 CI-1044 NOCAS_47291 DTXSID5047291 ER Pathway Model, Agonist Model Score 0 Unitless NC1=CC2=C3N(CCC3=C1)C(=O)[C@H](NC(=O)C1=CC=CN=C1)N=C2C1=CC=CC=C1 CI-1044 NOCAS_47291|CI-1044|PD-0189659 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047291
ERPathway2016 ERPathway2016_912 CI-1044 NOCAS_47291 DTXSID5047291 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC2=C3N(CCC3=C1)C(=O)[C@H](NC(=O)C1=CC=CN=C1)N=C2C1=CC=CC=C1 CI-1044 NOCAS_47291|CI-1044|PD-0189659 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047291
ERPathway2016 ERPathway2016_912 CI-1044 NOCAS_47291 DTXSID5047291 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC2=C3N(CCC3=C1)C(=O)[C@H](NC(=O)C1=CC=CN=C1)N=C2C1=CC=CC=C1 CI-1044 NOCAS_47291|CI-1044|PD-0189659 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047291
ERPathway2016 ERPathway2016_912 CI-1044 NOCAS_47291 DTXSID5047291 ER Pathway Model, Antagonist Call Inactive Unitless NC1=CC2=C3N(CCC3=C1)C(=O)[C@H](NC(=O)C1=CC=CN=C1)N=C2C1=CC=CC=C1 CI-1044 NOCAS_47291|CI-1044|PD-0189659 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047291
ARPathway2016 ARPathway2016_453 CI-959 104795-68-8 DTXSID8047268 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].COC1=CC2=C(SC(C(=O)NC3=NN=N[N-]3)=C2OC(C)C)C=C1 CI-959 104795-68-8|CI-959|sodium 5-({[5-methoxy-3-(propan-2-yloxy)-1-benzothiophen-2-yl]carbonyl}amino)tetrazol-1-ide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047268
ARPathway2016 ARPathway2016_453 CI-959 104795-68-8 DTXSID8047268 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].COC1=CC2=C(SC(C(=O)NC3=NN=N[N-]3)=C2OC(C)C)C=C1 CI-959 104795-68-8|CI-959|sodium 5-({[5-methoxy-3-(propan-2-yloxy)-1-benzothiophen-2-yl]carbonyl}amino)tetrazol-1-ide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047268
ARPathway2016 ARPathway2016_453 CI-959 104795-68-8 DTXSID8047268 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].COC1=CC2=C(SC(C(=O)NC3=NN=N[N-]3)=C2OC(C)C)C=C1 CI-959 104795-68-8|CI-959|sodium 5-({[5-methoxy-3-(propan-2-yloxy)-1-benzothiophen-2-yl]carbonyl}amino)tetrazol-1-ide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047268
ARPathway2016 ARPathway2016_453 CI-959 104795-68-8 DTXSID8047268 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].COC1=CC2=C(SC(C(=O)NC3=NN=N[N-]3)=C2OC(C)C)C=C1 CI-959 104795-68-8|CI-959|sodium 5-({[5-methoxy-3-(propan-2-yloxy)-1-benzothiophen-2-yl]carbonyl}amino)tetrazol-1-ide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047268
ERPathway2016 ERPathway2016_598 CI-959 104795-68-8 DTXSID8047268 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].COC1=CC2=C(SC(C(=O)NC3=NN=N[N-]3)=C2OC(C)C)C=C1 CI-959 104795-68-8|CI-959|sodium 5-({[5-methoxy-3-(propan-2-yloxy)-1-benzothiophen-2-yl]carbonyl}amino)tetrazol-1-ide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047268
ERPathway2016 ERPathway2016_598 CI-959 104795-68-8 DTXSID8047268 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].COC1=CC2=C(SC(C(=O)NC3=NN=N[N-]3)=C2OC(C)C)C=C1 CI-959 104795-68-8|CI-959|sodium 5-({[5-methoxy-3-(propan-2-yloxy)-1-benzothiophen-2-yl]carbonyl}amino)tetrazol-1-ide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047268
ERPathway2016 ERPathway2016_598 CI-959 104795-68-8 DTXSID8047268 ER Pathway Model, Agonist Call Inactive Unitless [Na+].COC1=CC2=C(SC(C(=O)NC3=NN=N[N-]3)=C2OC(C)C)C=C1 CI-959 104795-68-8|CI-959|sodium 5-({[5-methoxy-3-(propan-2-yloxy)-1-benzothiophen-2-yl]carbonyl}amino)tetrazol-1-ide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047268
ERPathway2016 ERPathway2016_598 CI-959 104795-68-8 DTXSID8047268 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].COC1=CC2=C(SC(C(=O)NC3=NN=N[N-]3)=C2OC(C)C)C=C1 CI-959 104795-68-8|CI-959|sodium 5-({[5-methoxy-3-(propan-2-yloxy)-1-benzothiophen-2-yl]carbonyl}amino)tetrazol-1-ide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047268
ARPathway2016 ARPathway2016_1670 Cinmethylin 87818-31-3 DTXSID3034456 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)[C@]12CC[C@](C)(O1)[C@@H](C2)OCC1=C(C)C=CC=C1 Cinmethylin 87818-31-3|Cinmethylin|(+/-)-2-exo-(2-Methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane|402-410-9|7-Oxabicyclo(2.2.1)heptene exo-(+-)-1-methyl-4-(1-methylethyl)-2-((2-methylphenyl)methoxy)-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, (1R,2S,4S)-rel-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-(+/-)-|Argold|Caswell No. 731G|Cinch|EC No.: 402-410-9|EPA Pesticide Chemical Code 128837|Exo-(+/-)-1-methyl-2-(2-methylbenzyloxy)-4-isopropyl-7-oxabicyclo(2.2.1) heptane|exo-(+/-)-1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|rel-(1R,2S,4S)-1-Methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|SD 95481|UNII-ZV3871E43Y|WL 95481|89368-00-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034456
ARPathway2016 ARPathway2016_1670 Cinmethylin 87818-31-3 DTXSID3034456 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)[C@]12CC[C@](C)(O1)[C@@H](C2)OCC1=C(C)C=CC=C1 Cinmethylin 87818-31-3|Cinmethylin|(+/-)-2-exo-(2-Methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane|402-410-9|7-Oxabicyclo(2.2.1)heptene exo-(+-)-1-methyl-4-(1-methylethyl)-2-((2-methylphenyl)methoxy)-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, (1R,2S,4S)-rel-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-(+/-)-|Argold|Caswell No. 731G|Cinch|EC No.: 402-410-9|EPA Pesticide Chemical Code 128837|Exo-(+/-)-1-methyl-2-(2-methylbenzyloxy)-4-isopropyl-7-oxabicyclo(2.2.1) heptane|exo-(+/-)-1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|rel-(1R,2S,4S)-1-Methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|SD 95481|UNII-ZV3871E43Y|WL 95481|89368-00-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034456
ARPathway2016 ARPathway2016_1670 Cinmethylin 87818-31-3 DTXSID3034456 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CC(C)[C@]12CC[C@](C)(O1)[C@@H](C2)OCC1=C(C)C=CC=C1 Cinmethylin 87818-31-3|Cinmethylin|(+/-)-2-exo-(2-Methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane|402-410-9|7-Oxabicyclo(2.2.1)heptene exo-(+-)-1-methyl-4-(1-methylethyl)-2-((2-methylphenyl)methoxy)-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, (1R,2S,4S)-rel-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-(+/-)-|Argold|Caswell No. 731G|Cinch|EC No.: 402-410-9|EPA Pesticide Chemical Code 128837|Exo-(+/-)-1-methyl-2-(2-methylbenzyloxy)-4-isopropyl-7-oxabicyclo(2.2.1) heptane|exo-(+/-)-1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|rel-(1R,2S,4S)-1-Methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|SD 95481|UNII-ZV3871E43Y|WL 95481|89368-00-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034456
ARPathway2016 ARPathway2016_1670 Cinmethylin 87818-31-3 DTXSID3034456 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)[C@]12CC[C@](C)(O1)[C@@H](C2)OCC1=C(C)C=CC=C1 Cinmethylin 87818-31-3|Cinmethylin|(+/-)-2-exo-(2-Methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane|402-410-9|7-Oxabicyclo(2.2.1)heptene exo-(+-)-1-methyl-4-(1-methylethyl)-2-((2-methylphenyl)methoxy)-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, (1R,2S,4S)-rel-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-(+/-)-|Argold|Caswell No. 731G|Cinch|EC No.: 402-410-9|EPA Pesticide Chemical Code 128837|Exo-(+/-)-1-methyl-2-(2-methylbenzyloxy)-4-isopropyl-7-oxabicyclo(2.2.1) heptane|exo-(+/-)-1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|rel-(1R,2S,4S)-1-Methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|SD 95481|UNII-ZV3871E43Y|WL 95481|89368-00-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034456
ERPathway2016 ERPathway2016_391 Cinmethylin 87818-31-3 DTXSID3034456 ER Pathway Model, Antagonist AC50 29.0087501885065 uM CC(C)[C@]12CC[C@](C)(O1)[C@@H](C2)OCC1=C(C)C=CC=C1 Cinmethylin 87818-31-3|Cinmethylin|(+/-)-2-exo-(2-Methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane|402-410-9|7-Oxabicyclo(2.2.1)heptene exo-(+-)-1-methyl-4-(1-methylethyl)-2-((2-methylphenyl)methoxy)-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, (1R,2S,4S)-rel-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-(+/-)-|Argold|Caswell No. 731G|Cinch|EC No.: 402-410-9|EPA Pesticide Chemical Code 128837|Exo-(+/-)-1-methyl-2-(2-methylbenzyloxy)-4-isopropyl-7-oxabicyclo(2.2.1) heptane|exo-(+/-)-1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|rel-(1R,2S,4S)-1-Methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|SD 95481|UNII-ZV3871E43Y|WL 95481|89368-00-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034456
ERPathway2016 ERPathway2016_391 Cinmethylin 87818-31-3 DTXSID3034456 ER Pathway Model, Antagonist ACC 19.0543455772585 uM CC(C)[C@]12CC[C@](C)(O1)[C@@H](C2)OCC1=C(C)C=CC=C1 Cinmethylin 87818-31-3|Cinmethylin|(+/-)-2-exo-(2-Methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane|402-410-9|7-Oxabicyclo(2.2.1)heptene exo-(+-)-1-methyl-4-(1-methylethyl)-2-((2-methylphenyl)methoxy)-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, (1R,2S,4S)-rel-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-(+/-)-|Argold|Caswell No. 731G|Cinch|EC No.: 402-410-9|EPA Pesticide Chemical Code 128837|Exo-(+/-)-1-methyl-2-(2-methylbenzyloxy)-4-isopropyl-7-oxabicyclo(2.2.1) heptane|exo-(+/-)-1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|rel-(1R,2S,4S)-1-Methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|SD 95481|UNII-ZV3871E43Y|WL 95481|89368-00-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034456
ERPathway2016 ERPathway2016_391 Cinmethylin 87818-31-3 DTXSID3034456 ER Pathway Model, Agonist Model Score 0.0107 Unitless CC(C)[C@]12CC[C@](C)(O1)[C@@H](C2)OCC1=C(C)C=CC=C1 Cinmethylin 87818-31-3|Cinmethylin|(+/-)-2-exo-(2-Methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane|402-410-9|7-Oxabicyclo(2.2.1)heptene exo-(+-)-1-methyl-4-(1-methylethyl)-2-((2-methylphenyl)methoxy)-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, (1R,2S,4S)-rel-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-(+/-)-|Argold|Caswell No. 731G|Cinch|EC No.: 402-410-9|EPA Pesticide Chemical Code 128837|Exo-(+/-)-1-methyl-2-(2-methylbenzyloxy)-4-isopropyl-7-oxabicyclo(2.2.1) heptane|exo-(+/-)-1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|rel-(1R,2S,4S)-1-Methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|SD 95481|UNII-ZV3871E43Y|WL 95481|89368-00-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034456
ERPathway2016 ERPathway2016_391 Cinmethylin 87818-31-3 DTXSID3034456 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)[C@]12CC[C@](C)(O1)[C@@H](C2)OCC1=C(C)C=CC=C1 Cinmethylin 87818-31-3|Cinmethylin|(+/-)-2-exo-(2-Methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane|402-410-9|7-Oxabicyclo(2.2.1)heptene exo-(+-)-1-methyl-4-(1-methylethyl)-2-((2-methylphenyl)methoxy)-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, (1R,2S,4S)-rel-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-(+/-)-|Argold|Caswell No. 731G|Cinch|EC No.: 402-410-9|EPA Pesticide Chemical Code 128837|Exo-(+/-)-1-methyl-2-(2-methylbenzyloxy)-4-isopropyl-7-oxabicyclo(2.2.1) heptane|exo-(+/-)-1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|rel-(1R,2S,4S)-1-Methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|SD 95481|UNII-ZV3871E43Y|WL 95481|89368-00-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034456
ERPathway2016 ERPathway2016_391 Cinmethylin 87818-31-3 DTXSID3034456 ER Pathway Model, Agonist Call Inactive Unitless CC(C)[C@]12CC[C@](C)(O1)[C@@H](C2)OCC1=C(C)C=CC=C1 Cinmethylin 87818-31-3|Cinmethylin|(+/-)-2-exo-(2-Methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane|402-410-9|7-Oxabicyclo(2.2.1)heptene exo-(+-)-1-methyl-4-(1-methylethyl)-2-((2-methylphenyl)methoxy)-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, (1R,2S,4S)-rel-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-(+/-)-|Argold|Caswell No. 731G|Cinch|EC No.: 402-410-9|EPA Pesticide Chemical Code 128837|Exo-(+/-)-1-methyl-2-(2-methylbenzyloxy)-4-isopropyl-7-oxabicyclo(2.2.1) heptane|exo-(+/-)-1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|rel-(1R,2S,4S)-1-Methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|SD 95481|UNII-ZV3871E43Y|WL 95481|89368-00-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034456
ERPathway2016 ERPathway2016_391 Cinmethylin 87818-31-3 DTXSID3034456 ER Pathway Model, Antagonist Call Active Unitless CC(C)[C@]12CC[C@](C)(O1)[C@@H](C2)OCC1=C(C)C=CC=C1 Cinmethylin 87818-31-3|Cinmethylin|(+/-)-2-exo-(2-Methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane|402-410-9|7-Oxabicyclo(2.2.1)heptene exo-(+-)-1-methyl-4-(1-methylethyl)-2-((2-methylphenyl)methoxy)-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, (1R,2S,4S)-rel-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-|7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-, exo-(+/-)-|Argold|Caswell No. 731G|Cinch|EC No.: 402-410-9|EPA Pesticide Chemical Code 128837|Exo-(+/-)-1-methyl-2-(2-methylbenzyloxy)-4-isopropyl-7-oxabicyclo(2.2.1) heptane|exo-(+/-)-1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|rel-(1R,2S,4S)-1-Methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane|SD 95481|UNII-ZV3871E43Y|WL 95481|89368-00-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034456
ARPathway2016 ARPathway2016_1262 Citralva 5146-66-7 DTXSID3036286 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(C)=CC#N Citralva 5146-66-7|Citralva|(E/Z)-Geranonitrile|2,6-Octadienenitrile, 3,7-dimethyl-|225-918-0|3,7-Dimethyl-2,6-octadienenitrile|3,7-Dimethylocta-2,6-dienenitrile|Citronitrile|EC No.: 225-918-0|EINECS 225-918-0|Geranyl nitrile|80655-58-9|80748-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036286
ARPathway2016 ARPathway2016_1262 Citralva 5146-66-7 DTXSID3036286 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(C)=CC#N Citralva 5146-66-7|Citralva|(E/Z)-Geranonitrile|2,6-Octadienenitrile, 3,7-dimethyl-|225-918-0|3,7-Dimethyl-2,6-octadienenitrile|3,7-Dimethylocta-2,6-dienenitrile|Citronitrile|EC No.: 225-918-0|EINECS 225-918-0|Geranyl nitrile|80655-58-9|80748-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036286
ARPathway2016 ARPathway2016_1262 Citralva 5146-66-7 DTXSID3036286 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(C)=CC#N Citralva 5146-66-7|Citralva|(E/Z)-Geranonitrile|2,6-Octadienenitrile, 3,7-dimethyl-|225-918-0|3,7-Dimethyl-2,6-octadienenitrile|3,7-Dimethylocta-2,6-dienenitrile|Citronitrile|EC No.: 225-918-0|EINECS 225-918-0|Geranyl nitrile|80655-58-9|80748-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036286
ARPathway2016 ARPathway2016_1262 Citralva 5146-66-7 DTXSID3036286 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(C)=CC#N Citralva 5146-66-7|Citralva|(E/Z)-Geranonitrile|2,6-Octadienenitrile, 3,7-dimethyl-|225-918-0|3,7-Dimethyl-2,6-octadienenitrile|3,7-Dimethylocta-2,6-dienenitrile|Citronitrile|EC No.: 225-918-0|EINECS 225-918-0|Geranyl nitrile|80655-58-9|80748-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036286
ERPathway2016 ERPathway2016_1042 Citralva 5146-66-7 DTXSID3036286 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(C)=CC#N Citralva 5146-66-7|Citralva|(E/Z)-Geranonitrile|2,6-Octadienenitrile, 3,7-dimethyl-|225-918-0|3,7-Dimethyl-2,6-octadienenitrile|3,7-Dimethylocta-2,6-dienenitrile|Citronitrile|EC No.: 225-918-0|EINECS 225-918-0|Geranyl nitrile|80655-58-9|80748-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036286
ERPathway2016 ERPathway2016_1042 Citralva 5146-66-7 DTXSID3036286 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(C)=CC#N Citralva 5146-66-7|Citralva|(E/Z)-Geranonitrile|2,6-Octadienenitrile, 3,7-dimethyl-|225-918-0|3,7-Dimethyl-2,6-octadienenitrile|3,7-Dimethylocta-2,6-dienenitrile|Citronitrile|EC No.: 225-918-0|EINECS 225-918-0|Geranyl nitrile|80655-58-9|80748-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036286
ERPathway2016 ERPathway2016_1042 Citralva 5146-66-7 DTXSID3036286 ER Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(C)=CC#N Citralva 5146-66-7|Citralva|(E/Z)-Geranonitrile|2,6-Octadienenitrile, 3,7-dimethyl-|225-918-0|3,7-Dimethyl-2,6-octadienenitrile|3,7-Dimethylocta-2,6-dienenitrile|Citronitrile|EC No.: 225-918-0|EINECS 225-918-0|Geranyl nitrile|80655-58-9|80748-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036286
ERPathway2016 ERPathway2016_1042 Citralva 5146-66-7 DTXSID3036286 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(C)=CC#N Citralva 5146-66-7|Citralva|(E/Z)-Geranonitrile|2,6-Octadienenitrile, 3,7-dimethyl-|225-918-0|3,7-Dimethyl-2,6-octadienenitrile|3,7-Dimethylocta-2,6-dienenitrile|Citronitrile|EC No.: 225-918-0|EINECS 225-918-0|Geranyl nitrile|80655-58-9|80748-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036286
ARPathway2016 ARPathway2016_1566 Citric acid 77-92-9 DTXSID3020332 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O Citric acid 77-92-9|Citric acid|1,2,3-Propanetricarboxylic acid, 2-hydroxy-|2-Hydroxy-1,2,3-propanetricarboxyic acid|2-Hydroxy-1,2,3-propanetricarboxylate|2-Hydroxy-1,2,3-propanetricarboxylic acid|2-Hydroxypropan-1,2,3-tricarboxylic acid|2-hydroxypropane-1,2,3-tricarboxylic acid|2-Hydroxypropanetricarboxylic acid|2-Hydroxytricarballylic acid|3-Carboxy-3-hydroxypentane-1,5-dioate|3-Carboxy-3-hydroxypentane-1,5-dioic acid|4-03-00-01272|Acide citrique|acido citrico|Aciletten|Anhydrous citric acid|beta-Hydroxytricarballylate|beta-Hydroxytricarballylic acid|BRN 0782061|Caswell No. 221C|Celenex 3P6|Chemfill|Citraclean|Citretten|CITRIC ACID ANHYDROUS|Citric acid, anhydrous|CITRIC-ACID, ANHYDRIDE CRISTO|Citro|CITRONENSAEURE|E 330|E330|EINECS 201-069-1|EPA Pesticide Chemical Code 021801|FEMA No. 2306|FEMA Number 2306|H3cit|Hydrocerol A|Kyselina 2-hydroxy-1,2,3-propantrikarbonova|Kyselina citronova|NSC 112226|NSC 30279|NSC 626579|Propane-1,2,3-tricarboxylic acid, 2-hydroxy-|Suby G|UNII-XF417D3PSL|Uro-trainer|Zitronensaure|1192555-95-5|12262-73-6|136108-93-5|2023788-69-2|245654-34-6|43136-35-2|623158-96-3|856568-15-5|878903-72-1|890704-54-8|896506-46-0|906507-37-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020332
ARPathway2016 ARPathway2016_1566 Citric acid 77-92-9 DTXSID3020332 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O Citric acid 77-92-9|Citric acid|1,2,3-Propanetricarboxylic acid, 2-hydroxy-|2-Hydroxy-1,2,3-propanetricarboxyic acid|2-Hydroxy-1,2,3-propanetricarboxylate|2-Hydroxy-1,2,3-propanetricarboxylic acid|2-Hydroxypropan-1,2,3-tricarboxylic acid|2-hydroxypropane-1,2,3-tricarboxylic acid|2-Hydroxypropanetricarboxylic acid|2-Hydroxytricarballylic acid|3-Carboxy-3-hydroxypentane-1,5-dioate|3-Carboxy-3-hydroxypentane-1,5-dioic acid|4-03-00-01272|Acide citrique|acido citrico|Aciletten|Anhydrous citric acid|beta-Hydroxytricarballylate|beta-Hydroxytricarballylic acid|BRN 0782061|Caswell No. 221C|Celenex 3P6|Chemfill|Citraclean|Citretten|CITRIC ACID ANHYDROUS|Citric acid, anhydrous|CITRIC-ACID, ANHYDRIDE CRISTO|Citro|CITRONENSAEURE|E 330|E330|EINECS 201-069-1|EPA Pesticide Chemical Code 021801|FEMA No. 2306|FEMA Number 2306|H3cit|Hydrocerol A|Kyselina 2-hydroxy-1,2,3-propantrikarbonova|Kyselina citronova|NSC 112226|NSC 30279|NSC 626579|Propane-1,2,3-tricarboxylic acid, 2-hydroxy-|Suby G|UNII-XF417D3PSL|Uro-trainer|Zitronensaure|1192555-95-5|12262-73-6|136108-93-5|2023788-69-2|245654-34-6|43136-35-2|623158-96-3|856568-15-5|878903-72-1|890704-54-8|896506-46-0|906507-37-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020332
ARPathway2016 ARPathway2016_1566 Citric acid 77-92-9 DTXSID3020332 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O Citric acid 77-92-9|Citric acid|1,2,3-Propanetricarboxylic acid, 2-hydroxy-|2-Hydroxy-1,2,3-propanetricarboxyic acid|2-Hydroxy-1,2,3-propanetricarboxylate|2-Hydroxy-1,2,3-propanetricarboxylic acid|2-Hydroxypropan-1,2,3-tricarboxylic acid|2-hydroxypropane-1,2,3-tricarboxylic acid|2-Hydroxypropanetricarboxylic acid|2-Hydroxytricarballylic acid|3-Carboxy-3-hydroxypentane-1,5-dioate|3-Carboxy-3-hydroxypentane-1,5-dioic acid|4-03-00-01272|Acide citrique|acido citrico|Aciletten|Anhydrous citric acid|beta-Hydroxytricarballylate|beta-Hydroxytricarballylic acid|BRN 0782061|Caswell No. 221C|Celenex 3P6|Chemfill|Citraclean|Citretten|CITRIC ACID ANHYDROUS|Citric acid, anhydrous|CITRIC-ACID, ANHYDRIDE CRISTO|Citro|CITRONENSAEURE|E 330|E330|EINECS 201-069-1|EPA Pesticide Chemical Code 021801|FEMA No. 2306|FEMA Number 2306|H3cit|Hydrocerol A|Kyselina 2-hydroxy-1,2,3-propantrikarbonova|Kyselina citronova|NSC 112226|NSC 30279|NSC 626579|Propane-1,2,3-tricarboxylic acid, 2-hydroxy-|Suby G|UNII-XF417D3PSL|Uro-trainer|Zitronensaure|1192555-95-5|12262-73-6|136108-93-5|2023788-69-2|245654-34-6|43136-35-2|623158-96-3|856568-15-5|878903-72-1|890704-54-8|896506-46-0|906507-37-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020332
ARPathway2016 ARPathway2016_1566 Citric acid 77-92-9 DTXSID3020332 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O Citric acid 77-92-9|Citric acid|1,2,3-Propanetricarboxylic acid, 2-hydroxy-|2-Hydroxy-1,2,3-propanetricarboxyic acid|2-Hydroxy-1,2,3-propanetricarboxylate|2-Hydroxy-1,2,3-propanetricarboxylic acid|2-Hydroxypropan-1,2,3-tricarboxylic acid|2-hydroxypropane-1,2,3-tricarboxylic acid|2-Hydroxypropanetricarboxylic acid|2-Hydroxytricarballylic acid|3-Carboxy-3-hydroxypentane-1,5-dioate|3-Carboxy-3-hydroxypentane-1,5-dioic acid|4-03-00-01272|Acide citrique|acido citrico|Aciletten|Anhydrous citric acid|beta-Hydroxytricarballylate|beta-Hydroxytricarballylic acid|BRN 0782061|Caswell No. 221C|Celenex 3P6|Chemfill|Citraclean|Citretten|CITRIC ACID ANHYDROUS|Citric acid, anhydrous|CITRIC-ACID, ANHYDRIDE CRISTO|Citro|CITRONENSAEURE|E 330|E330|EINECS 201-069-1|EPA Pesticide Chemical Code 021801|FEMA No. 2306|FEMA Number 2306|H3cit|Hydrocerol A|Kyselina 2-hydroxy-1,2,3-propantrikarbonova|Kyselina citronova|NSC 112226|NSC 30279|NSC 626579|Propane-1,2,3-tricarboxylic acid, 2-hydroxy-|Suby G|UNII-XF417D3PSL|Uro-trainer|Zitronensaure|1192555-95-5|12262-73-6|136108-93-5|2023788-69-2|245654-34-6|43136-35-2|623158-96-3|856568-15-5|878903-72-1|890704-54-8|896506-46-0|906507-37-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020332
ERPathway2016 ERPathway2016_1660 Citric acid 77-92-9 DTXSID3020332 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O Citric acid 77-92-9|Citric acid|1,2,3-Propanetricarboxylic acid, 2-hydroxy-|2-Hydroxy-1,2,3-propanetricarboxyic acid|2-Hydroxy-1,2,3-propanetricarboxylate|2-Hydroxy-1,2,3-propanetricarboxylic acid|2-Hydroxypropan-1,2,3-tricarboxylic acid|2-hydroxypropane-1,2,3-tricarboxylic acid|2-Hydroxypropanetricarboxylic acid|2-Hydroxytricarballylic acid|3-Carboxy-3-hydroxypentane-1,5-dioate|3-Carboxy-3-hydroxypentane-1,5-dioic acid|4-03-00-01272|Acide citrique|acido citrico|Aciletten|Anhydrous citric acid|beta-Hydroxytricarballylate|beta-Hydroxytricarballylic acid|BRN 0782061|Caswell No. 221C|Celenex 3P6|Chemfill|Citraclean|Citretten|CITRIC ACID ANHYDROUS|Citric acid, anhydrous|CITRIC-ACID, ANHYDRIDE CRISTO|Citro|CITRONENSAEURE|E 330|E330|EINECS 201-069-1|EPA Pesticide Chemical Code 021801|FEMA No. 2306|FEMA Number 2306|H3cit|Hydrocerol A|Kyselina 2-hydroxy-1,2,3-propantrikarbonova|Kyselina citronova|NSC 112226|NSC 30279|NSC 626579|Propane-1,2,3-tricarboxylic acid, 2-hydroxy-|Suby G|UNII-XF417D3PSL|Uro-trainer|Zitronensaure|1192555-95-5|12262-73-6|136108-93-5|2023788-69-2|245654-34-6|43136-35-2|623158-96-3|856568-15-5|878903-72-1|890704-54-8|896506-46-0|906507-37-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020332
ERPathway2016 ERPathway2016_1660 Citric acid 77-92-9 DTXSID3020332 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O Citric acid 77-92-9|Citric acid|1,2,3-Propanetricarboxylic acid, 2-hydroxy-|2-Hydroxy-1,2,3-propanetricarboxyic acid|2-Hydroxy-1,2,3-propanetricarboxylate|2-Hydroxy-1,2,3-propanetricarboxylic acid|2-Hydroxypropan-1,2,3-tricarboxylic acid|2-hydroxypropane-1,2,3-tricarboxylic acid|2-Hydroxypropanetricarboxylic acid|2-Hydroxytricarballylic acid|3-Carboxy-3-hydroxypentane-1,5-dioate|3-Carboxy-3-hydroxypentane-1,5-dioic acid|4-03-00-01272|Acide citrique|acido citrico|Aciletten|Anhydrous citric acid|beta-Hydroxytricarballylate|beta-Hydroxytricarballylic acid|BRN 0782061|Caswell No. 221C|Celenex 3P6|Chemfill|Citraclean|Citretten|CITRIC ACID ANHYDROUS|Citric acid, anhydrous|CITRIC-ACID, ANHYDRIDE CRISTO|Citro|CITRONENSAEURE|E 330|E330|EINECS 201-069-1|EPA Pesticide Chemical Code 021801|FEMA No. 2306|FEMA Number 2306|H3cit|Hydrocerol A|Kyselina 2-hydroxy-1,2,3-propantrikarbonova|Kyselina citronova|NSC 112226|NSC 30279|NSC 626579|Propane-1,2,3-tricarboxylic acid, 2-hydroxy-|Suby G|UNII-XF417D3PSL|Uro-trainer|Zitronensaure|1192555-95-5|12262-73-6|136108-93-5|2023788-69-2|245654-34-6|43136-35-2|623158-96-3|856568-15-5|878903-72-1|890704-54-8|896506-46-0|906507-37-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020332
ERPathway2016 ERPathway2016_1660 Citric acid 77-92-9 DTXSID3020332 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O Citric acid 77-92-9|Citric acid|1,2,3-Propanetricarboxylic acid, 2-hydroxy-|2-Hydroxy-1,2,3-propanetricarboxyic acid|2-Hydroxy-1,2,3-propanetricarboxylate|2-Hydroxy-1,2,3-propanetricarboxylic acid|2-Hydroxypropan-1,2,3-tricarboxylic acid|2-hydroxypropane-1,2,3-tricarboxylic acid|2-Hydroxypropanetricarboxylic acid|2-Hydroxytricarballylic acid|3-Carboxy-3-hydroxypentane-1,5-dioate|3-Carboxy-3-hydroxypentane-1,5-dioic acid|4-03-00-01272|Acide citrique|acido citrico|Aciletten|Anhydrous citric acid|beta-Hydroxytricarballylate|beta-Hydroxytricarballylic acid|BRN 0782061|Caswell No. 221C|Celenex 3P6|Chemfill|Citraclean|Citretten|CITRIC ACID ANHYDROUS|Citric acid, anhydrous|CITRIC-ACID, ANHYDRIDE CRISTO|Citro|CITRONENSAEURE|E 330|E330|EINECS 201-069-1|EPA Pesticide Chemical Code 021801|FEMA No. 2306|FEMA Number 2306|H3cit|Hydrocerol A|Kyselina 2-hydroxy-1,2,3-propantrikarbonova|Kyselina citronova|NSC 112226|NSC 30279|NSC 626579|Propane-1,2,3-tricarboxylic acid, 2-hydroxy-|Suby G|UNII-XF417D3PSL|Uro-trainer|Zitronensaure|1192555-95-5|12262-73-6|136108-93-5|2023788-69-2|245654-34-6|43136-35-2|623158-96-3|856568-15-5|878903-72-1|890704-54-8|896506-46-0|906507-37-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020332
ERPathway2016 ERPathway2016_1660 Citric acid 77-92-9 DTXSID3020332 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O Citric acid 77-92-9|Citric acid|1,2,3-Propanetricarboxylic acid, 2-hydroxy-|2-Hydroxy-1,2,3-propanetricarboxyic acid|2-Hydroxy-1,2,3-propanetricarboxylate|2-Hydroxy-1,2,3-propanetricarboxylic acid|2-Hydroxypropan-1,2,3-tricarboxylic acid|2-hydroxypropane-1,2,3-tricarboxylic acid|2-Hydroxypropanetricarboxylic acid|2-Hydroxytricarballylic acid|3-Carboxy-3-hydroxypentane-1,5-dioate|3-Carboxy-3-hydroxypentane-1,5-dioic acid|4-03-00-01272|Acide citrique|acido citrico|Aciletten|Anhydrous citric acid|beta-Hydroxytricarballylate|beta-Hydroxytricarballylic acid|BRN 0782061|Caswell No. 221C|Celenex 3P6|Chemfill|Citraclean|Citretten|CITRIC ACID ANHYDROUS|Citric acid, anhydrous|CITRIC-ACID, ANHYDRIDE CRISTO|Citro|CITRONENSAEURE|E 330|E330|EINECS 201-069-1|EPA Pesticide Chemical Code 021801|FEMA No. 2306|FEMA Number 2306|H3cit|Hydrocerol A|Kyselina 2-hydroxy-1,2,3-propantrikarbonova|Kyselina citronova|NSC 112226|NSC 30279|NSC 626579|Propane-1,2,3-tricarboxylic acid, 2-hydroxy-|Suby G|UNII-XF417D3PSL|Uro-trainer|Zitronensaure|1192555-95-5|12262-73-6|136108-93-5|2023788-69-2|245654-34-6|43136-35-2|623158-96-3|856568-15-5|878903-72-1|890704-54-8|896506-46-0|906507-37-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020332
ARPathway2016 ARPathway2016_1564 Citric acid, triethyl ester, acetate 77-89-4 DTXSID5044576 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC Citric acid, triethyl ester, acetate 77-89-4|Citric acid, triethyl ester, acetate|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-triethyl ester|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester|3-03-00-01105|Acetyltriethyl citrate|BRN 1804947|Citric acid, acetyl triethyl ester|Citroflex A 2|EINECS 201-066-5|NSC 3887|Tricarballylic acid, beta-acetoxytributyl ester|Triethyl 2-acetoxy-1,2,3-propanetricarboxylate|Triethyl acetylcitrate|Triethyl citrate, acetate|Triethylester kyseliny acetylcitronove|UNII-5WBR36T90E https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044576
ARPathway2016 ARPathway2016_1564 Citric acid, triethyl ester, acetate 77-89-4 DTXSID5044576 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC Citric acid, triethyl ester, acetate 77-89-4|Citric acid, triethyl ester, acetate|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-triethyl ester|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester|3-03-00-01105|Acetyltriethyl citrate|BRN 1804947|Citric acid, acetyl triethyl ester|Citroflex A 2|EINECS 201-066-5|NSC 3887|Tricarballylic acid, beta-acetoxytributyl ester|Triethyl 2-acetoxy-1,2,3-propanetricarboxylate|Triethyl acetylcitrate|Triethyl citrate, acetate|Triethylester kyseliny acetylcitronove|UNII-5WBR36T90E https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044576
ARPathway2016 ARPathway2016_1564 Citric acid, triethyl ester, acetate 77-89-4 DTXSID5044576 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC Citric acid, triethyl ester, acetate 77-89-4|Citric acid, triethyl ester, acetate|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-triethyl ester|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester|3-03-00-01105|Acetyltriethyl citrate|BRN 1804947|Citric acid, acetyl triethyl ester|Citroflex A 2|EINECS 201-066-5|NSC 3887|Tricarballylic acid, beta-acetoxytributyl ester|Triethyl 2-acetoxy-1,2,3-propanetricarboxylate|Triethyl acetylcitrate|Triethyl citrate, acetate|Triethylester kyseliny acetylcitronove|UNII-5WBR36T90E https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044576
ARPathway2016 ARPathway2016_1564 Citric acid, triethyl ester, acetate 77-89-4 DTXSID5044576 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC Citric acid, triethyl ester, acetate 77-89-4|Citric acid, triethyl ester, acetate|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-triethyl ester|1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester|3-03-00-01105|Acetyltriethyl citrate|BRN 1804947|Citric acid, acetyl triethyl ester|Citroflex A 2|EINECS 201-066-5|NSC 3887|Tricarballylic acid, beta-acetoxytributyl ester|Triethyl 2-acetoxy-1,2,3-propanetricarboxylate|Triethyl acetylcitrate|Triethyl citrate, acetate|Triethylester kyseliny acetylcitronove|UNII-5WBR36T90E https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044576
ARPathway2016 ARPathway2016_466 Citronellal 106-23-0 DTXSID3041790 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(CCC=C(C)C)CC=O Citronellal 106-23-0|Citronellal|(.+-.)-Citronellal|2,3-Dihydrocitral|3,7-DIMETHYL-6-OCTEN-1-AL|3,7-Dimethyl-6-octenal|3,7-Dimethyloct-6-en-1-al|6-Octenal, 3,7-dimethyl-|beta-citronellal|citronelal|Citronella|Citronellel|CITRONELLOL,(D)|D-Rhodinal|dl-Citronellal|EINECS 203-376-6|FEMA No. 2307|NSC 46106|Rhodinal|UNII-QB99VZZ7GZ|b-Citronellal|26489-02-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041790
ARPathway2016 ARPathway2016_466 Citronellal 106-23-0 DTXSID3041790 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(CCC=C(C)C)CC=O Citronellal 106-23-0|Citronellal|(.+-.)-Citronellal|2,3-Dihydrocitral|3,7-DIMETHYL-6-OCTEN-1-AL|3,7-Dimethyl-6-octenal|3,7-Dimethyloct-6-en-1-al|6-Octenal, 3,7-dimethyl-|beta-citronellal|citronelal|Citronella|Citronellel|CITRONELLOL,(D)|D-Rhodinal|dl-Citronellal|EINECS 203-376-6|FEMA No. 2307|NSC 46106|Rhodinal|UNII-QB99VZZ7GZ|b-Citronellal|26489-02-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041790
ARPathway2016 ARPathway2016_466 Citronellal 106-23-0 DTXSID3041790 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(CCC=C(C)C)CC=O Citronellal 106-23-0|Citronellal|(.+-.)-Citronellal|2,3-Dihydrocitral|3,7-DIMETHYL-6-OCTEN-1-AL|3,7-Dimethyl-6-octenal|3,7-Dimethyloct-6-en-1-al|6-Octenal, 3,7-dimethyl-|beta-citronellal|citronelal|Citronella|Citronellel|CITRONELLOL,(D)|D-Rhodinal|dl-Citronellal|EINECS 203-376-6|FEMA No. 2307|NSC 46106|Rhodinal|UNII-QB99VZZ7GZ|b-Citronellal|26489-02-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041790
ARPathway2016 ARPathway2016_466 Citronellal 106-23-0 DTXSID3041790 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(CCC=C(C)C)CC=O Citronellal 106-23-0|Citronellal|(.+-.)-Citronellal|2,3-Dihydrocitral|3,7-DIMETHYL-6-OCTEN-1-AL|3,7-Dimethyl-6-octenal|3,7-Dimethyloct-6-en-1-al|6-Octenal, 3,7-dimethyl-|beta-citronellal|citronelal|Citronella|Citronellel|CITRONELLOL,(D)|D-Rhodinal|dl-Citronellal|EINECS 203-376-6|FEMA No. 2307|NSC 46106|Rhodinal|UNII-QB99VZZ7GZ|b-Citronellal|26489-02-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041790
ERPathway2016 ERPathway2016_710 Citronellal 106-23-0 DTXSID3041790 ER Pathway Model, Agonist Model Score 0 Unitless CC(CCC=C(C)C)CC=O Citronellal 106-23-0|Citronellal|(.+-.)-Citronellal|2,3-Dihydrocitral|3,7-DIMETHYL-6-OCTEN-1-AL|3,7-Dimethyl-6-octenal|3,7-Dimethyloct-6-en-1-al|6-Octenal, 3,7-dimethyl-|beta-citronellal|citronelal|Citronella|Citronellel|CITRONELLOL,(D)|D-Rhodinal|dl-Citronellal|EINECS 203-376-6|FEMA No. 2307|NSC 46106|Rhodinal|UNII-QB99VZZ7GZ|b-Citronellal|26489-02-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041790
ERPathway2016 ERPathway2016_710 Citronellal 106-23-0 DTXSID3041790 ER Pathway Model, Antagonist Model Score 0 Unitless CC(CCC=C(C)C)CC=O Citronellal 106-23-0|Citronellal|(.+-.)-Citronellal|2,3-Dihydrocitral|3,7-DIMETHYL-6-OCTEN-1-AL|3,7-Dimethyl-6-octenal|3,7-Dimethyloct-6-en-1-al|6-Octenal, 3,7-dimethyl-|beta-citronellal|citronelal|Citronella|Citronellel|CITRONELLOL,(D)|D-Rhodinal|dl-Citronellal|EINECS 203-376-6|FEMA No. 2307|NSC 46106|Rhodinal|UNII-QB99VZZ7GZ|b-Citronellal|26489-02-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041790
ERPathway2016 ERPathway2016_710 Citronellal 106-23-0 DTXSID3041790 ER Pathway Model, Agonist Call Inactive Unitless CC(CCC=C(C)C)CC=O Citronellal 106-23-0|Citronellal|(.+-.)-Citronellal|2,3-Dihydrocitral|3,7-DIMETHYL-6-OCTEN-1-AL|3,7-Dimethyl-6-octenal|3,7-Dimethyloct-6-en-1-al|6-Octenal, 3,7-dimethyl-|beta-citronellal|citronelal|Citronella|Citronellel|CITRONELLOL,(D)|D-Rhodinal|dl-Citronellal|EINECS 203-376-6|FEMA No. 2307|NSC 46106|Rhodinal|UNII-QB99VZZ7GZ|b-Citronellal|26489-02-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041790
ERPathway2016 ERPathway2016_710 Citronellal 106-23-0 DTXSID3041790 ER Pathway Model, Antagonist Call Inactive Unitless CC(CCC=C(C)C)CC=O Citronellal 106-23-0|Citronellal|(.+-.)-Citronellal|2,3-Dihydrocitral|3,7-DIMETHYL-6-OCTEN-1-AL|3,7-Dimethyl-6-octenal|3,7-Dimethyloct-6-en-1-al|6-Octenal, 3,7-dimethyl-|beta-citronellal|citronelal|Citronella|Citronellel|CITRONELLOL,(D)|D-Rhodinal|dl-Citronellal|EINECS 203-376-6|FEMA No. 2307|NSC 46106|Rhodinal|UNII-QB99VZZ7GZ|b-Citronellal|26489-02-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041790
ARPathway2016 ARPathway2016_465 Citronellol 106-22-9 DTXSID3026726 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(CCO)CCC=C(C)C Citronellol 106-22-9|Citronellol|(.+-.)-3,7-Dimethyl-6-octen-1-ol|(.+-.)-Citronellol|(.+-.)-b-Citronellol|2,3-Dihydrogeraniol|2,6-Dimethyl-2-octen-8-ol|3,7-Dimethyl-6-octen-1-ol|3,7-Dimethyloct-6-en-1-ol|4-01-00-02188|6-Octen-1-ol, 3,7-dimethyl-|beta-Citronellol|BRN 1721507|Cephrol|Citronellol 950|Citronellol, dl-|citronelol|Dihydrogeraniol|dl-Citronellol|EINECS 203-375-0|EINECS 247-737-6|Elenol|NSC 8779|OCT-6-EN-1-OL, 3,7-DIMETHYL-, (+-)-|Rhodinol|Rodinol|UNII-565OK72VNF|b-Citronellol|1335-43-9|26489-01-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026726 https://doi.org/10.22427/NTP-DATA-DTXSID3026726
ARPathway2016 ARPathway2016_465 Citronellol 106-22-9 DTXSID3026726 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(CCO)CCC=C(C)C Citronellol 106-22-9|Citronellol|(.+-.)-3,7-Dimethyl-6-octen-1-ol|(.+-.)-Citronellol|(.+-.)-b-Citronellol|2,3-Dihydrogeraniol|2,6-Dimethyl-2-octen-8-ol|3,7-Dimethyl-6-octen-1-ol|3,7-Dimethyloct-6-en-1-ol|4-01-00-02188|6-Octen-1-ol, 3,7-dimethyl-|beta-Citronellol|BRN 1721507|Cephrol|Citronellol 950|Citronellol, dl-|citronelol|Dihydrogeraniol|dl-Citronellol|EINECS 203-375-0|EINECS 247-737-6|Elenol|NSC 8779|OCT-6-EN-1-OL, 3,7-DIMETHYL-, (+-)-|Rhodinol|Rodinol|UNII-565OK72VNF|b-Citronellol|1335-43-9|26489-01-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026726 https://doi.org/10.22427/NTP-DATA-DTXSID3026726
ARPathway2016 ARPathway2016_465 Citronellol 106-22-9 DTXSID3026726 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(CCO)CCC=C(C)C Citronellol 106-22-9|Citronellol|(.+-.)-3,7-Dimethyl-6-octen-1-ol|(.+-.)-Citronellol|(.+-.)-b-Citronellol|2,3-Dihydrogeraniol|2,6-Dimethyl-2-octen-8-ol|3,7-Dimethyl-6-octen-1-ol|3,7-Dimethyloct-6-en-1-ol|4-01-00-02188|6-Octen-1-ol, 3,7-dimethyl-|beta-Citronellol|BRN 1721507|Cephrol|Citronellol 950|Citronellol, dl-|citronelol|Dihydrogeraniol|dl-Citronellol|EINECS 203-375-0|EINECS 247-737-6|Elenol|NSC 8779|OCT-6-EN-1-OL, 3,7-DIMETHYL-, (+-)-|Rhodinol|Rodinol|UNII-565OK72VNF|b-Citronellol|1335-43-9|26489-01-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026726 https://doi.org/10.22427/NTP-DATA-DTXSID3026726
ARPathway2016 ARPathway2016_465 Citronellol 106-22-9 DTXSID3026726 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(CCO)CCC=C(C)C Citronellol 106-22-9|Citronellol|(.+-.)-3,7-Dimethyl-6-octen-1-ol|(.+-.)-Citronellol|(.+-.)-b-Citronellol|2,3-Dihydrogeraniol|2,6-Dimethyl-2-octen-8-ol|3,7-Dimethyl-6-octen-1-ol|3,7-Dimethyloct-6-en-1-ol|4-01-00-02188|6-Octen-1-ol, 3,7-dimethyl-|beta-Citronellol|BRN 1721507|Cephrol|Citronellol 950|Citronellol, dl-|citronelol|Dihydrogeraniol|dl-Citronellol|EINECS 203-375-0|EINECS 247-737-6|Elenol|NSC 8779|OCT-6-EN-1-OL, 3,7-DIMETHYL-, (+-)-|Rhodinol|Rodinol|UNII-565OK72VNF|b-Citronellol|1335-43-9|26489-01-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026726 https://doi.org/10.22427/NTP-DATA-DTXSID3026726
ERPathway2016 ERPathway2016_883 Citronellol 106-22-9 DTXSID3026726 ER Pathway Model, Agonist Model Score 0 Unitless CC(CCO)CCC=C(C)C Citronellol 106-22-9|Citronellol|(.+-.)-3,7-Dimethyl-6-octen-1-ol|(.+-.)-Citronellol|(.+-.)-b-Citronellol|2,3-Dihydrogeraniol|2,6-Dimethyl-2-octen-8-ol|3,7-Dimethyl-6-octen-1-ol|3,7-Dimethyloct-6-en-1-ol|4-01-00-02188|6-Octen-1-ol, 3,7-dimethyl-|beta-Citronellol|BRN 1721507|Cephrol|Citronellol 950|Citronellol, dl-|citronelol|Dihydrogeraniol|dl-Citronellol|EINECS 203-375-0|EINECS 247-737-6|Elenol|NSC 8779|OCT-6-EN-1-OL, 3,7-DIMETHYL-, (+-)-|Rhodinol|Rodinol|UNII-565OK72VNF|b-Citronellol|1335-43-9|26489-01-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026726 https://doi.org/10.22427/NTP-DATA-DTXSID3026726
ERPathway2016 ERPathway2016_883 Citronellol 106-22-9 DTXSID3026726 ER Pathway Model, Antagonist Model Score 0 Unitless CC(CCO)CCC=C(C)C Citronellol 106-22-9|Citronellol|(.+-.)-3,7-Dimethyl-6-octen-1-ol|(.+-.)-Citronellol|(.+-.)-b-Citronellol|2,3-Dihydrogeraniol|2,6-Dimethyl-2-octen-8-ol|3,7-Dimethyl-6-octen-1-ol|3,7-Dimethyloct-6-en-1-ol|4-01-00-02188|6-Octen-1-ol, 3,7-dimethyl-|beta-Citronellol|BRN 1721507|Cephrol|Citronellol 950|Citronellol, dl-|citronelol|Dihydrogeraniol|dl-Citronellol|EINECS 203-375-0|EINECS 247-737-6|Elenol|NSC 8779|OCT-6-EN-1-OL, 3,7-DIMETHYL-, (+-)-|Rhodinol|Rodinol|UNII-565OK72VNF|b-Citronellol|1335-43-9|26489-01-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026726 https://doi.org/10.22427/NTP-DATA-DTXSID3026726
ERPathway2016 ERPathway2016_883 Citronellol 106-22-9 DTXSID3026726 ER Pathway Model, Agonist Call Inactive Unitless CC(CCO)CCC=C(C)C Citronellol 106-22-9|Citronellol|(.+-.)-3,7-Dimethyl-6-octen-1-ol|(.+-.)-Citronellol|(.+-.)-b-Citronellol|2,3-Dihydrogeraniol|2,6-Dimethyl-2-octen-8-ol|3,7-Dimethyl-6-octen-1-ol|3,7-Dimethyloct-6-en-1-ol|4-01-00-02188|6-Octen-1-ol, 3,7-dimethyl-|beta-Citronellol|BRN 1721507|Cephrol|Citronellol 950|Citronellol, dl-|citronelol|Dihydrogeraniol|dl-Citronellol|EINECS 203-375-0|EINECS 247-737-6|Elenol|NSC 8779|OCT-6-EN-1-OL, 3,7-DIMETHYL-, (+-)-|Rhodinol|Rodinol|UNII-565OK72VNF|b-Citronellol|1335-43-9|26489-01-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026726 https://doi.org/10.22427/NTP-DATA-DTXSID3026726
ERPathway2016 ERPathway2016_883 Citronellol 106-22-9 DTXSID3026726 ER Pathway Model, Antagonist Call Inactive Unitless CC(CCO)CCC=C(C)C Citronellol 106-22-9|Citronellol|(.+-.)-3,7-Dimethyl-6-octen-1-ol|(.+-.)-Citronellol|(.+-.)-b-Citronellol|2,3-Dihydrogeraniol|2,6-Dimethyl-2-octen-8-ol|3,7-Dimethyl-6-octen-1-ol|3,7-Dimethyloct-6-en-1-ol|4-01-00-02188|6-Octen-1-ol, 3,7-dimethyl-|beta-Citronellol|BRN 1721507|Cephrol|Citronellol 950|Citronellol, dl-|citronelol|Dihydrogeraniol|dl-Citronellol|EINECS 203-375-0|EINECS 247-737-6|Elenol|NSC 8779|OCT-6-EN-1-OL, 3,7-DIMETHYL-, (+-)-|Rhodinol|Rodinol|UNII-565OK72VNF|b-Citronellol|1335-43-9|26489-01-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026726 https://doi.org/10.22427/NTP-DATA-DTXSID3026726
ARPathway2016 ARPathway2016_1045 CJ-013610 249296-43-3 DTXSID2047272 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless CS(O)(=O)=O.CC1=NC=CN1C1=CC=C(SC2=CC=CC(=C2)C2(CCOCC2)C(N)=O)C=C1 CJ-013610 249296-43-3|CJ-013610|347887-25-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047272
ARPathway2016 ARPathway2016_1045 CJ-013610 249296-43-3 DTXSID2047272 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CS(O)(=O)=O.CC1=NC=CN1C1=CC=C(SC2=CC=CC(=C2)C2(CCOCC2)C(N)=O)C=C1 CJ-013610 249296-43-3|CJ-013610|347887-25-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047272
ARPathway2016 ARPathway2016_1045 CJ-013610 249296-43-3 DTXSID2047272 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless CS(O)(=O)=O.CC1=NC=CN1C1=CC=C(SC2=CC=CC(=C2)C2(CCOCC2)C(N)=O)C=C1 CJ-013610 249296-43-3|CJ-013610|347887-25-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047272
ARPathway2016 ARPathway2016_1045 CJ-013610 249296-43-3 DTXSID2047272 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CS(O)(=O)=O.CC1=NC=CN1C1=CC=C(SC2=CC=CC(=C2)C2(CCOCC2)C(N)=O)C=C1 CJ-013610 249296-43-3|CJ-013610|347887-25-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047272
ERPathway2016 ERPathway2016_73 CJ-013610 249296-43-3 DTXSID2047272 R8 ER Pathway Model, Agonist AC50 14.728203953856 uM CS(O)(=O)=O.CC1=NC=CN1C1=CC=C(SC2=CC=CC(=C2)C2(CCOCC2)C(N)=O)C=C1 CJ-013610 249296-43-3|CJ-013610|347887-25-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047272
ERPathway2016 ERPathway2016_73 CJ-013610 249296-43-3 DTXSID2047272 R8 ER Pathway Model, Agonist ACC 12.8907143509538 uM CS(O)(=O)=O.CC1=NC=CN1C1=CC=C(SC2=CC=CC(=C2)C2(CCOCC2)C(N)=O)C=C1 CJ-013610 249296-43-3|CJ-013610|347887-25-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047272
ERPathway2016 ERPathway2016_73 CJ-013610 249296-43-3 DTXSID2047272 R8 ER Pathway Model, Agonist Model Score 0 Unitless CS(O)(=O)=O.CC1=NC=CN1C1=CC=C(SC2=CC=CC(=C2)C2(CCOCC2)C(N)=O)C=C1 CJ-013610 249296-43-3|CJ-013610|347887-25-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047272
ERPathway2016 ERPathway2016_73 CJ-013610 249296-43-3 DTXSID2047272 R8 ER Pathway Model, Antagonist Model Score 0.0638 Unitless CS(O)(=O)=O.CC1=NC=CN1C1=CC=C(SC2=CC=CC(=C2)C2(CCOCC2)C(N)=O)C=C1 CJ-013610 249296-43-3|CJ-013610|347887-25-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047272
ERPathway2016 ERPathway2016_73 CJ-013610 249296-43-3 DTXSID2047272 R8 ER Pathway Model, Agonist Call Active Unitless CS(O)(=O)=O.CC1=NC=CN1C1=CC=C(SC2=CC=CC(=C2)C2(CCOCC2)C(N)=O)C=C1 CJ-013610 249296-43-3|CJ-013610|347887-25-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047272
ERPathway2016 ERPathway2016_73 CJ-013610 249296-43-3 DTXSID2047272 R8 ER Pathway Model, Antagonist Call Inactive Unitless CS(O)(=O)=O.CC1=NC=CN1C1=CC=C(SC2=CC=CC(=C2)C2(CCOCC2)C(N)=O)C=C1 CJ-013610 249296-43-3|CJ-013610|347887-25-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047272
ARPathway2016 ARPathway2016_92 CJ-013790 179465-71-5 DTXSID2047303 True antagonist shift (Hit/Hit) 4.0 R7 AR Pathway Model, Agonist AC50 41.8925254 uM NC(=O)N(O)[C@H]1C[C@@H](OC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C=C1 CJ-013790 179465-71-5|CJ-013790|N-[(1S,4R)-4-[3-(4-Fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxyurea|UNII-EZN6BE2U7Y|Urea, N- [(1S, 4R) - 4- [3- (4- fluorophenoxy) phenoxy] - 2- cyclopenten- 1- yl] - N- hydroxy-|Urea, N-[4-[3-(4-fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxy-, (1S-cis)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047303
ARPathway2016 ARPathway2016_92 CJ-013790 179465-71-5 DTXSID2047303 True antagonist shift (Hit/Hit) 4.0 R7 AR Pathway Model, Agonist ACC 45.18119523 uM NC(=O)N(O)[C@H]1C[C@@H](OC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C=C1 CJ-013790 179465-71-5|CJ-013790|N-[(1S,4R)-4-[3-(4-Fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxyurea|UNII-EZN6BE2U7Y|Urea, N- [(1S, 4R) - 4- [3- (4- fluorophenoxy) phenoxy] - 2- cyclopenten- 1- yl] - N- hydroxy-|Urea, N-[4-[3-(4-fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxy-, (1S-cis)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047303
ARPathway2016 ARPathway2016_92 CJ-013790 179465-71-5 DTXSID2047303 True antagonist shift (Hit/Hit) 4.0 R7 AR Pathway Model, Antagonist Model Score 0.0246 Unitless NC(=O)N(O)[C@H]1C[C@@H](OC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C=C1 CJ-013790 179465-71-5|CJ-013790|N-[(1S,4R)-4-[3-(4-Fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxyurea|UNII-EZN6BE2U7Y|Urea, N- [(1S, 4R) - 4- [3- (4- fluorophenoxy) phenoxy] - 2- cyclopenten- 1- yl] - N- hydroxy-|Urea, N-[4-[3-(4-fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxy-, (1S-cis)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047303
ARPathway2016 ARPathway2016_92 CJ-013790 179465-71-5 DTXSID2047303 True antagonist shift (Hit/Hit) 4.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless NC(=O)N(O)[C@H]1C[C@@H](OC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C=C1 CJ-013790 179465-71-5|CJ-013790|N-[(1S,4R)-4-[3-(4-Fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxyurea|UNII-EZN6BE2U7Y|Urea, N- [(1S, 4R) - 4- [3- (4- fluorophenoxy) phenoxy] - 2- cyclopenten- 1- yl] - N- hydroxy-|Urea, N-[4-[3-(4-fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxy-, (1S-cis)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047303
ARPathway2016 ARPathway2016_92 CJ-013790 179465-71-5 DTXSID2047303 True antagonist shift (Hit/Hit) 4.0 R7 AR Pathway Model, Agonist Call Active Unitless NC(=O)N(O)[C@H]1C[C@@H](OC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C=C1 CJ-013790 179465-71-5|CJ-013790|N-[(1S,4R)-4-[3-(4-Fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxyurea|UNII-EZN6BE2U7Y|Urea, N- [(1S, 4R) - 4- [3- (4- fluorophenoxy) phenoxy] - 2- cyclopenten- 1- yl] - N- hydroxy-|Urea, N-[4-[3-(4-fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxy-, (1S-cis)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047303
ARPathway2016 ARPathway2016_92 CJ-013790 179465-71-5 DTXSID2047303 True antagonist shift (Hit/Hit) 4.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless NC(=O)N(O)[C@H]1C[C@@H](OC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C=C1 CJ-013790 179465-71-5|CJ-013790|N-[(1S,4R)-4-[3-(4-Fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxyurea|UNII-EZN6BE2U7Y|Urea, N- [(1S, 4R) - 4- [3- (4- fluorophenoxy) phenoxy] - 2- cyclopenten- 1- yl] - N- hydroxy-|Urea, N-[4-[3-(4-fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxy-, (1S-cis)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047303
ERPathway2016 ERPathway2016_345 CJ-013790 179465-71-5 DTXSID2047303 A12 ER Pathway Model, Antagonist AC50 16.408555216267 uM NC(=O)N(O)[C@H]1C[C@@H](OC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C=C1 CJ-013790 179465-71-5|CJ-013790|N-[(1S,4R)-4-[3-(4-Fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxyurea|UNII-EZN6BE2U7Y|Urea, N- [(1S, 4R) - 4- [3- (4- fluorophenoxy) phenoxy] - 2- cyclopenten- 1- yl] - N- hydroxy-|Urea, N-[4-[3-(4-fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxy-, (1S-cis)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047303
ERPathway2016 ERPathway2016_345 CJ-013790 179465-71-5 DTXSID2047303 A12 ER Pathway Model, Antagonist ACC 26.7282084917506 uM NC(=O)N(O)[C@H]1C[C@@H](OC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C=C1 CJ-013790 179465-71-5|CJ-013790|N-[(1S,4R)-4-[3-(4-Fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxyurea|UNII-EZN6BE2U7Y|Urea, N- [(1S, 4R) - 4- [3- (4- fluorophenoxy) phenoxy] - 2- cyclopenten- 1- yl] - N- hydroxy-|Urea, N-[4-[3-(4-fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxy-, (1S-cis)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047303
ERPathway2016 ERPathway2016_345 CJ-013790 179465-71-5 DTXSID2047303 A12 ER Pathway Model, Agonist Model Score 0.0185 Unitless NC(=O)N(O)[C@H]1C[C@@H](OC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C=C1 CJ-013790 179465-71-5|CJ-013790|N-[(1S,4R)-4-[3-(4-Fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxyurea|UNII-EZN6BE2U7Y|Urea, N- [(1S, 4R) - 4- [3- (4- fluorophenoxy) phenoxy] - 2- cyclopenten- 1- yl] - N- hydroxy-|Urea, N-[4-[3-(4-fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxy-, (1S-cis)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047303
ERPathway2016 ERPathway2016_345 CJ-013790 179465-71-5 DTXSID2047303 A12 ER Pathway Model, Antagonist Model Score 0 Unitless NC(=O)N(O)[C@H]1C[C@@H](OC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C=C1 CJ-013790 179465-71-5|CJ-013790|N-[(1S,4R)-4-[3-(4-Fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxyurea|UNII-EZN6BE2U7Y|Urea, N- [(1S, 4R) - 4- [3- (4- fluorophenoxy) phenoxy] - 2- cyclopenten- 1- yl] - N- hydroxy-|Urea, N-[4-[3-(4-fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxy-, (1S-cis)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047303
ERPathway2016 ERPathway2016_345 CJ-013790 179465-71-5 DTXSID2047303 A12 ER Pathway Model, Agonist Call Inactive Unitless NC(=O)N(O)[C@H]1C[C@@H](OC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C=C1 CJ-013790 179465-71-5|CJ-013790|N-[(1S,4R)-4-[3-(4-Fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxyurea|UNII-EZN6BE2U7Y|Urea, N- [(1S, 4R) - 4- [3- (4- fluorophenoxy) phenoxy] - 2- cyclopenten- 1- yl] - N- hydroxy-|Urea, N-[4-[3-(4-fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxy-, (1S-cis)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047303
ERPathway2016 ERPathway2016_345 CJ-013790 179465-71-5 DTXSID2047303 A12 ER Pathway Model, Antagonist Call Active Unitless NC(=O)N(O)[C@H]1C[C@@H](OC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C=C1 CJ-013790 179465-71-5|CJ-013790|N-[(1S,4R)-4-[3-(4-Fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxyurea|UNII-EZN6BE2U7Y|Urea, N- [(1S, 4R) - 4- [3- (4- fluorophenoxy) phenoxy] - 2- cyclopenten- 1- yl] - N- hydroxy-|Urea, N-[4-[3-(4-fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxy-, (1S-cis)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047303
ARPathway2016 ARPathway2016_1202 Cladribine 4291-63-8 DTXSID8022828 1.0 A9 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1 Cladribine 4291-63-8|Cladribine|(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol|2-CdA|2-chloro-2'-deoxy-beta-adenosine|2-Chloro-2'-deoxy-b-adenosine|2-chloro-2'-deoxyadenosine|2-chloro-6-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-beta-D-erythropentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-b-D-erythro-pentofuranosyl)purine|2-chloro-deoxyadenosine|2-Chlorodeoxyadenosine|2CdA|2ClAdo|Adenosine, 2-chloro-2'-deoxy-|Biodribin|BRN 0624220|Chlorodeoxyadenosine|Cladarabine|CldAdo|Leustat|Leustatin|NSC 105014|NSC 105014-F|UNII-47M74X9YT5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022828
ARPathway2016 ARPathway2016_1202 Cladribine 4291-63-8 DTXSID8022828 1.0 A9 AR Pathway Model, Agonist Model Score 0 Unitless NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1 Cladribine 4291-63-8|Cladribine|(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol|2-CdA|2-chloro-2'-deoxy-beta-adenosine|2-Chloro-2'-deoxy-b-adenosine|2-chloro-2'-deoxyadenosine|2-chloro-6-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-beta-D-erythropentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-b-D-erythro-pentofuranosyl)purine|2-chloro-deoxyadenosine|2-Chlorodeoxyadenosine|2CdA|2ClAdo|Adenosine, 2-chloro-2'-deoxy-|Biodribin|BRN 0624220|Chlorodeoxyadenosine|Cladarabine|CldAdo|Leustat|Leustatin|NSC 105014|NSC 105014-F|UNII-47M74X9YT5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022828
ARPathway2016 ARPathway2016_1202 Cladribine 4291-63-8 DTXSID8022828 1.0 A9 AR Pathway Model, Agonist Call Inactive Unitless NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1 Cladribine 4291-63-8|Cladribine|(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol|2-CdA|2-chloro-2'-deoxy-beta-adenosine|2-Chloro-2'-deoxy-b-adenosine|2-chloro-2'-deoxyadenosine|2-chloro-6-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-beta-D-erythropentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-b-D-erythro-pentofuranosyl)purine|2-chloro-deoxyadenosine|2-Chlorodeoxyadenosine|2CdA|2ClAdo|Adenosine, 2-chloro-2'-deoxy-|Biodribin|BRN 0624220|Chlorodeoxyadenosine|Cladarabine|CldAdo|Leustat|Leustatin|NSC 105014|NSC 105014-F|UNII-47M74X9YT5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022828
ARPathway2016 ARPathway2016_1202 Cladribine 4291-63-8 DTXSID8022828 1.0 A9 AR Pathway Model, Antagonist Call Inactive Unitless NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1 Cladribine 4291-63-8|Cladribine|(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol|2-CdA|2-chloro-2'-deoxy-beta-adenosine|2-Chloro-2'-deoxy-b-adenosine|2-chloro-2'-deoxyadenosine|2-chloro-6-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-beta-D-erythropentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-b-D-erythro-pentofuranosyl)purine|2-chloro-deoxyadenosine|2-Chlorodeoxyadenosine|2CdA|2ClAdo|Adenosine, 2-chloro-2'-deoxy-|Biodribin|BRN 0624220|Chlorodeoxyadenosine|Cladarabine|CldAdo|Leustat|Leustatin|NSC 105014|NSC 105014-F|UNII-47M74X9YT5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022828
ERPathway2016 ERPathway2016_335 Cladribine 4291-63-8 DTXSID8022828 ER Pathway Model, Antagonist AC50 11.3676632434721 uM NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1 Cladribine 4291-63-8|Cladribine|(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol|2-CdA|2-chloro-2'-deoxy-beta-adenosine|2-Chloro-2'-deoxy-b-adenosine|2-chloro-2'-deoxyadenosine|2-chloro-6-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-beta-D-erythropentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-b-D-erythro-pentofuranosyl)purine|2-chloro-deoxyadenosine|2-Chlorodeoxyadenosine|2CdA|2ClAdo|Adenosine, 2-chloro-2'-deoxy-|Biodribin|BRN 0624220|Chlorodeoxyadenosine|Cladarabine|CldAdo|Leustat|Leustatin|NSC 105014|NSC 105014-F|UNII-47M74X9YT5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022828
ERPathway2016 ERPathway2016_335 Cladribine 4291-63-8 DTXSID8022828 ER Pathway Model, Antagonist ACC 13.3837768478975 uM NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1 Cladribine 4291-63-8|Cladribine|(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol|2-CdA|2-chloro-2'-deoxy-beta-adenosine|2-Chloro-2'-deoxy-b-adenosine|2-chloro-2'-deoxyadenosine|2-chloro-6-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-beta-D-erythropentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-b-D-erythro-pentofuranosyl)purine|2-chloro-deoxyadenosine|2-Chlorodeoxyadenosine|2CdA|2ClAdo|Adenosine, 2-chloro-2'-deoxy-|Biodribin|BRN 0624220|Chlorodeoxyadenosine|Cladarabine|CldAdo|Leustat|Leustatin|NSC 105014|NSC 105014-F|UNII-47M74X9YT5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022828
ERPathway2016 ERPathway2016_335 Cladribine 4291-63-8 DTXSID8022828 ER Pathway Model, Agonist Model Score 0.0207 Unitless NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1 Cladribine 4291-63-8|Cladribine|(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol|2-CdA|2-chloro-2'-deoxy-beta-adenosine|2-Chloro-2'-deoxy-b-adenosine|2-chloro-2'-deoxyadenosine|2-chloro-6-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-beta-D-erythropentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-b-D-erythro-pentofuranosyl)purine|2-chloro-deoxyadenosine|2-Chlorodeoxyadenosine|2CdA|2ClAdo|Adenosine, 2-chloro-2'-deoxy-|Biodribin|BRN 0624220|Chlorodeoxyadenosine|Cladarabine|CldAdo|Leustat|Leustatin|NSC 105014|NSC 105014-F|UNII-47M74X9YT5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022828
ERPathway2016 ERPathway2016_335 Cladribine 4291-63-8 DTXSID8022828 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1 Cladribine 4291-63-8|Cladribine|(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol|2-CdA|2-chloro-2'-deoxy-beta-adenosine|2-Chloro-2'-deoxy-b-adenosine|2-chloro-2'-deoxyadenosine|2-chloro-6-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-beta-D-erythropentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-b-D-erythro-pentofuranosyl)purine|2-chloro-deoxyadenosine|2-Chlorodeoxyadenosine|2CdA|2ClAdo|Adenosine, 2-chloro-2'-deoxy-|Biodribin|BRN 0624220|Chlorodeoxyadenosine|Cladarabine|CldAdo|Leustat|Leustatin|NSC 105014|NSC 105014-F|UNII-47M74X9YT5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022828
ERPathway2016 ERPathway2016_335 Cladribine 4291-63-8 DTXSID8022828 ER Pathway Model, Agonist Call Inactive Unitless NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1 Cladribine 4291-63-8|Cladribine|(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol|2-CdA|2-chloro-2'-deoxy-beta-adenosine|2-Chloro-2'-deoxy-b-adenosine|2-chloro-2'-deoxyadenosine|2-chloro-6-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-beta-D-erythropentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-b-D-erythro-pentofuranosyl)purine|2-chloro-deoxyadenosine|2-Chlorodeoxyadenosine|2CdA|2ClAdo|Adenosine, 2-chloro-2'-deoxy-|Biodribin|BRN 0624220|Chlorodeoxyadenosine|Cladarabine|CldAdo|Leustat|Leustatin|NSC 105014|NSC 105014-F|UNII-47M74X9YT5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022828
ERPathway2016 ERPathway2016_335 Cladribine 4291-63-8 DTXSID8022828 ER Pathway Model, Antagonist Call Active Unitless NC1=NC(Cl)=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](CO)O1 Cladribine 4291-63-8|Cladribine|(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol|2-CdA|2-chloro-2'-deoxy-beta-adenosine|2-Chloro-2'-deoxy-b-adenosine|2-chloro-2'-deoxyadenosine|2-chloro-6-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-beta-D-erythropentofuranosyl)purine|2-Chloro-6-amino-9-(2-deoxy-b-D-erythro-pentofuranosyl)purine|2-chloro-deoxyadenosine|2-Chlorodeoxyadenosine|2CdA|2ClAdo|Adenosine, 2-chloro-2'-deoxy-|Biodribin|BRN 0624220|Chlorodeoxyadenosine|Cladarabine|CldAdo|Leustat|Leustatin|NSC 105014|NSC 105014-F|UNII-47M74X9YT5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022828
ARPathway2016 ARPathway2016_456 Clodinafop-propargyl 105512-06-9 DTXSID6032354 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C[C@@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C(=O)OCC#C Clodinafop-propargyl 105512-06-9|Clodinafop-propargyl|(R)-(+)-2-[4-(5-Chloro-3-fluoropyridin-2-yloxy)phenoxy]propionic acid propargyl ester|(R)-2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propionic acid 2-propynyl ester|(R)-2-[4-[(5-Chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propionic acid 2-propynyl ester|2-propynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate|600-662-6|CGA 184927|clodinafop propargyl ester|CLODINAFOP-PROPARGYL|Clodinafop-propargyl mixt.|Discover|Discover Herbicide|EC No.: 600-662-6|prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate|prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoro-2-pyridyloxy)phenoxy]propionate|Prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoropyridin-2-yloxy)phenoxy]propanoate|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propyn-1-yl ester, (2R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propynyl ester, (2R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propynyl ester, (R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyr|126301-94-8|126572-25-6|674310-99-7|934237-35-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032354
ARPathway2016 ARPathway2016_456 Clodinafop-propargyl 105512-06-9 DTXSID6032354 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C[C@@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C(=O)OCC#C Clodinafop-propargyl 105512-06-9|Clodinafop-propargyl|(R)-(+)-2-[4-(5-Chloro-3-fluoropyridin-2-yloxy)phenoxy]propionic acid propargyl ester|(R)-2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propionic acid 2-propynyl ester|(R)-2-[4-[(5-Chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propionic acid 2-propynyl ester|2-propynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate|600-662-6|CGA 184927|clodinafop propargyl ester|CLODINAFOP-PROPARGYL|Clodinafop-propargyl mixt.|Discover|Discover Herbicide|EC No.: 600-662-6|prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate|prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoro-2-pyridyloxy)phenoxy]propionate|Prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoropyridin-2-yloxy)phenoxy]propanoate|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propyn-1-yl ester, (2R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propynyl ester, (2R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propynyl ester, (R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyr|126301-94-8|126572-25-6|674310-99-7|934237-35-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032354
ARPathway2016 ARPathway2016_456 Clodinafop-propargyl 105512-06-9 DTXSID6032354 0.0 AR Pathway Model, Agonist Call Inactive Unitless C[C@@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C(=O)OCC#C Clodinafop-propargyl 105512-06-9|Clodinafop-propargyl|(R)-(+)-2-[4-(5-Chloro-3-fluoropyridin-2-yloxy)phenoxy]propionic acid propargyl ester|(R)-2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propionic acid 2-propynyl ester|(R)-2-[4-[(5-Chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propionic acid 2-propynyl ester|2-propynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate|600-662-6|CGA 184927|clodinafop propargyl ester|CLODINAFOP-PROPARGYL|Clodinafop-propargyl mixt.|Discover|Discover Herbicide|EC No.: 600-662-6|prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate|prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoro-2-pyridyloxy)phenoxy]propionate|Prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoropyridin-2-yloxy)phenoxy]propanoate|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propyn-1-yl ester, (2R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propynyl ester, (2R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propynyl ester, (R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyr|126301-94-8|126572-25-6|674310-99-7|934237-35-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032354
ARPathway2016 ARPathway2016_456 Clodinafop-propargyl 105512-06-9 DTXSID6032354 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C[C@@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C(=O)OCC#C Clodinafop-propargyl 105512-06-9|Clodinafop-propargyl|(R)-(+)-2-[4-(5-Chloro-3-fluoropyridin-2-yloxy)phenoxy]propionic acid propargyl ester|(R)-2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propionic acid 2-propynyl ester|(R)-2-[4-[(5-Chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propionic acid 2-propynyl ester|2-propynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate|600-662-6|CGA 184927|clodinafop propargyl ester|CLODINAFOP-PROPARGYL|Clodinafop-propargyl mixt.|Discover|Discover Herbicide|EC No.: 600-662-6|prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate|prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoro-2-pyridyloxy)phenoxy]propionate|Prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoropyridin-2-yloxy)phenoxy]propanoate|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propyn-1-yl ester, (2R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propynyl ester, (2R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propynyl ester, (R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyr|126301-94-8|126572-25-6|674310-99-7|934237-35-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032354
ERPathway2016 ERPathway2016_632 Clodinafop-propargyl 105512-06-9 DTXSID6032354 A17 ER Pathway Model, Agonist Model Score 0 Unitless C[C@@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C(=O)OCC#C Clodinafop-propargyl 105512-06-9|Clodinafop-propargyl|(R)-(+)-2-[4-(5-Chloro-3-fluoropyridin-2-yloxy)phenoxy]propionic acid propargyl ester|(R)-2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propionic acid 2-propynyl ester|(R)-2-[4-[(5-Chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propionic acid 2-propynyl ester|2-propynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate|600-662-6|CGA 184927|clodinafop propargyl ester|CLODINAFOP-PROPARGYL|Clodinafop-propargyl mixt.|Discover|Discover Herbicide|EC No.: 600-662-6|prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate|prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoro-2-pyridyloxy)phenoxy]propionate|Prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoropyridin-2-yloxy)phenoxy]propanoate|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propyn-1-yl ester, (2R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propynyl ester, (2R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propynyl ester, (R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyr|126301-94-8|126572-25-6|674310-99-7|934237-35-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032354
ERPathway2016 ERPathway2016_632 Clodinafop-propargyl 105512-06-9 DTXSID6032354 A17 ER Pathway Model, Antagonist Model Score 0 Unitless C[C@@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C(=O)OCC#C Clodinafop-propargyl 105512-06-9|Clodinafop-propargyl|(R)-(+)-2-[4-(5-Chloro-3-fluoropyridin-2-yloxy)phenoxy]propionic acid propargyl ester|(R)-2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propionic acid 2-propynyl ester|(R)-2-[4-[(5-Chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propionic acid 2-propynyl ester|2-propynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate|600-662-6|CGA 184927|clodinafop propargyl ester|CLODINAFOP-PROPARGYL|Clodinafop-propargyl mixt.|Discover|Discover Herbicide|EC No.: 600-662-6|prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate|prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoro-2-pyridyloxy)phenoxy]propionate|Prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoropyridin-2-yloxy)phenoxy]propanoate|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propyn-1-yl ester, (2R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propynyl ester, (2R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propynyl ester, (R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyr|126301-94-8|126572-25-6|674310-99-7|934237-35-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032354
ERPathway2016 ERPathway2016_632 Clodinafop-propargyl 105512-06-9 DTXSID6032354 A17 ER Pathway Model, Agonist Call Inactive Unitless C[C@@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C(=O)OCC#C Clodinafop-propargyl 105512-06-9|Clodinafop-propargyl|(R)-(+)-2-[4-(5-Chloro-3-fluoropyridin-2-yloxy)phenoxy]propionic acid propargyl ester|(R)-2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propionic acid 2-propynyl ester|(R)-2-[4-[(5-Chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propionic acid 2-propynyl ester|2-propynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate|600-662-6|CGA 184927|clodinafop propargyl ester|CLODINAFOP-PROPARGYL|Clodinafop-propargyl mixt.|Discover|Discover Herbicide|EC No.: 600-662-6|prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate|prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoro-2-pyridyloxy)phenoxy]propionate|Prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoropyridin-2-yloxy)phenoxy]propanoate|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propyn-1-yl ester, (2R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propynyl ester, (2R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propynyl ester, (R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyr|126301-94-8|126572-25-6|674310-99-7|934237-35-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032354
ERPathway2016 ERPathway2016_632 Clodinafop-propargyl 105512-06-9 DTXSID6032354 A17 ER Pathway Model, Antagonist Call Inactive Unitless C[C@@H](OC1=CC=C(OC2=NC=C(Cl)C=C2F)C=C1)C(=O)OCC#C Clodinafop-propargyl 105512-06-9|Clodinafop-propargyl|(R)-(+)-2-[4-(5-Chloro-3-fluoropyridin-2-yloxy)phenoxy]propionic acid propargyl ester|(R)-2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propionic acid 2-propynyl ester|(R)-2-[4-[(5-Chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propionic acid 2-propynyl ester|2-propynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate|600-662-6|CGA 184927|clodinafop propargyl ester|CLODINAFOP-PROPARGYL|Clodinafop-propargyl mixt.|Discover|Discover Herbicide|EC No.: 600-662-6|prop-2-yn-1-yl (2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate|prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoro-2-pyridyloxy)phenoxy]propionate|Prop-2-ynyl (R)-2-[4-(5-chloro-3-fluoropyridin-2-yloxy)phenoxy]propanoate|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propyn-1-yl ester, (2R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propynyl ester, (2R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propynyl ester, (R)-|Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyr|126301-94-8|126572-25-6|674310-99-7|934237-35-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032354
ARPathway2016 ARPathway2016_1524 Clofentezine 74115-24-5 DTXSID9023881 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=CC=C1C1=NN=C(N=N1)C1=C(Cl)C=CC=C1 Clofentezine 74115-24-5|Clofentezine|1,2,4,5-Tetrazine, 3,6-bis(2-chlorophenyl)-|277-728-2|3,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazine|3,6-bis(o-chlorophenyl)-1,2,4,5-tetrazine|3,6-Di-2-chlorophenyl-1,2,4,5-tetrazine|Acaristop|Apollo|Apollo (pesticide)|Apollo 50W|Apollo SOSC|Bisclofentazin|Bisclofentazine|Caswell No. 593A|EC No.: 277-728-2|EINECS 277-728-2|EPA Pesticide Chemical Code 125501|ManSiJing|NC 21314|Panatac|PC 125501|PC Code 125501|UNII-JS4U0R0033|88025-82-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023881
ARPathway2016 ARPathway2016_1524 Clofentezine 74115-24-5 DTXSID9023881 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=CC=C1C1=NN=C(N=N1)C1=C(Cl)C=CC=C1 Clofentezine 74115-24-5|Clofentezine|1,2,4,5-Tetrazine, 3,6-bis(2-chlorophenyl)-|277-728-2|3,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazine|3,6-bis(o-chlorophenyl)-1,2,4,5-tetrazine|3,6-Di-2-chlorophenyl-1,2,4,5-tetrazine|Acaristop|Apollo|Apollo (pesticide)|Apollo 50W|Apollo SOSC|Bisclofentazin|Bisclofentazine|Caswell No. 593A|EC No.: 277-728-2|EINECS 277-728-2|EPA Pesticide Chemical Code 125501|ManSiJing|NC 21314|Panatac|PC 125501|PC Code 125501|UNII-JS4U0R0033|88025-82-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023881
ARPathway2016 ARPathway2016_1524 Clofentezine 74115-24-5 DTXSID9023881 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC1=CC=CC=C1C1=NN=C(N=N1)C1=C(Cl)C=CC=C1 Clofentezine 74115-24-5|Clofentezine|1,2,4,5-Tetrazine, 3,6-bis(2-chlorophenyl)-|277-728-2|3,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazine|3,6-bis(o-chlorophenyl)-1,2,4,5-tetrazine|3,6-Di-2-chlorophenyl-1,2,4,5-tetrazine|Acaristop|Apollo|Apollo (pesticide)|Apollo 50W|Apollo SOSC|Bisclofentazin|Bisclofentazine|Caswell No. 593A|EC No.: 277-728-2|EINECS 277-728-2|EPA Pesticide Chemical Code 125501|ManSiJing|NC 21314|Panatac|PC 125501|PC Code 125501|UNII-JS4U0R0033|88025-82-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023881
ARPathway2016 ARPathway2016_1524 Clofentezine 74115-24-5 DTXSID9023881 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=CC=C1C1=NN=C(N=N1)C1=C(Cl)C=CC=C1 Clofentezine 74115-24-5|Clofentezine|1,2,4,5-Tetrazine, 3,6-bis(2-chlorophenyl)-|277-728-2|3,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazine|3,6-bis(o-chlorophenyl)-1,2,4,5-tetrazine|3,6-Di-2-chlorophenyl-1,2,4,5-tetrazine|Acaristop|Apollo|Apollo (pesticide)|Apollo 50W|Apollo SOSC|Bisclofentazin|Bisclofentazine|Caswell No. 593A|EC No.: 277-728-2|EINECS 277-728-2|EPA Pesticide Chemical Code 125501|ManSiJing|NC 21314|Panatac|PC 125501|PC Code 125501|UNII-JS4U0R0033|88025-82-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023881
ERPathway2016 ERPathway2016_1634 Clofentezine 74115-24-5 DTXSID9023881 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=CC=C1C1=NN=C(N=N1)C1=C(Cl)C=CC=C1 Clofentezine 74115-24-5|Clofentezine|1,2,4,5-Tetrazine, 3,6-bis(2-chlorophenyl)-|277-728-2|3,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazine|3,6-bis(o-chlorophenyl)-1,2,4,5-tetrazine|3,6-Di-2-chlorophenyl-1,2,4,5-tetrazine|Acaristop|Apollo|Apollo (pesticide)|Apollo 50W|Apollo SOSC|Bisclofentazin|Bisclofentazine|Caswell No. 593A|EC No.: 277-728-2|EINECS 277-728-2|EPA Pesticide Chemical Code 125501|ManSiJing|NC 21314|Panatac|PC 125501|PC Code 125501|UNII-JS4U0R0033|88025-82-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023881
ERPathway2016 ERPathway2016_1634 Clofentezine 74115-24-5 DTXSID9023881 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=CC=C1C1=NN=C(N=N1)C1=C(Cl)C=CC=C1 Clofentezine 74115-24-5|Clofentezine|1,2,4,5-Tetrazine, 3,6-bis(2-chlorophenyl)-|277-728-2|3,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazine|3,6-bis(o-chlorophenyl)-1,2,4,5-tetrazine|3,6-Di-2-chlorophenyl-1,2,4,5-tetrazine|Acaristop|Apollo|Apollo (pesticide)|Apollo 50W|Apollo SOSC|Bisclofentazin|Bisclofentazine|Caswell No. 593A|EC No.: 277-728-2|EINECS 277-728-2|EPA Pesticide Chemical Code 125501|ManSiJing|NC 21314|Panatac|PC 125501|PC Code 125501|UNII-JS4U0R0033|88025-82-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023881
ERPathway2016 ERPathway2016_1634 Clofentezine 74115-24-5 DTXSID9023881 ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC=CC=C1C1=NN=C(N=N1)C1=C(Cl)C=CC=C1 Clofentezine 74115-24-5|Clofentezine|1,2,4,5-Tetrazine, 3,6-bis(2-chlorophenyl)-|277-728-2|3,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazine|3,6-bis(o-chlorophenyl)-1,2,4,5-tetrazine|3,6-Di-2-chlorophenyl-1,2,4,5-tetrazine|Acaristop|Apollo|Apollo (pesticide)|Apollo 50W|Apollo SOSC|Bisclofentazin|Bisclofentazine|Caswell No. 593A|EC No.: 277-728-2|EINECS 277-728-2|EPA Pesticide Chemical Code 125501|ManSiJing|NC 21314|Panatac|PC 125501|PC Code 125501|UNII-JS4U0R0033|88025-82-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023881
ERPathway2016 ERPathway2016_1634 Clofentezine 74115-24-5 DTXSID9023881 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=CC=C1C1=NN=C(N=N1)C1=C(Cl)C=CC=C1 Clofentezine 74115-24-5|Clofentezine|1,2,4,5-Tetrazine, 3,6-bis(2-chlorophenyl)-|277-728-2|3,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazine|3,6-bis(o-chlorophenyl)-1,2,4,5-tetrazine|3,6-Di-2-chlorophenyl-1,2,4,5-tetrazine|Acaristop|Apollo|Apollo (pesticide)|Apollo 50W|Apollo SOSC|Bisclofentazin|Bisclofentazine|Caswell No. 593A|EC No.: 277-728-2|EINECS 277-728-2|EPA Pesticide Chemical Code 125501|ManSiJing|NC 21314|Panatac|PC 125501|PC Code 125501|UNII-JS4U0R0033|88025-82-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023881
ARPathway2016 ARPathway2016_1433 Clofibrate 637-07-0 DTXSID3020336 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1 Clofibrate 637-07-0|Clofibrate|2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl ester|2-(4-Chlorophenoxy)isobutyric acid ethyl ester|2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester|Abitrate|Acetic acid, (p-chlorophenoxy)dimethyl-, ethyl ester|alpha-(p-Chlorophenoxy)isobutyric acid, ethyl ester|alpha-p-Chlorophenoxyisobutyryl ethyl ester|Amotril|Amotril S|Angiokapsul|Anparton|Antilipid|Antilipide|Apolan|Arterioflexin|Arteriosan|Arterosol|Artevil|Ateculon|Ateriosan|Athebrate|Atheromide|Atheropront|Athranid-wirkstoff|Atrolen|Atromid|Atromid S|Atromid-S|Atromida|Atromidin|Atrovis|AY 61123|Azionyl|Bioscleran|BRN 1913459|Cartagyl|Chlorphenisate|Citiflus|Claripex|Claripex CPIB|Cloberat|Clobrat|Clobren SF|Clobren-SF|Clofibate|Clofibram|Clofibrat|clofibrato|Clofibratum|Clofinit|Clofipront|Delipid|Dura clofibrat|ECPIB|EINECS 211-277-4|EPIB|Ethyl (p-chlorophenoxy) isobutyrate|Ethyl 2-(4-chlorophenoxy)-2-methylpropionate|Ethyl 2-(4-chlorophenoxy)isobutyrate|Ethyl 2-(p-chlorophenoxy)-2-methylpropionate|Ethyl 2-(p-chlorophenoxy)isobutyrate|Ethyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020336
ARPathway2016 ARPathway2016_1433 Clofibrate 637-07-0 DTXSID3020336 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1 Clofibrate 637-07-0|Clofibrate|2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl ester|2-(4-Chlorophenoxy)isobutyric acid ethyl ester|2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester|Abitrate|Acetic acid, (p-chlorophenoxy)dimethyl-, ethyl ester|alpha-(p-Chlorophenoxy)isobutyric acid, ethyl ester|alpha-p-Chlorophenoxyisobutyryl ethyl ester|Amotril|Amotril S|Angiokapsul|Anparton|Antilipid|Antilipide|Apolan|Arterioflexin|Arteriosan|Arterosol|Artevil|Ateculon|Ateriosan|Athebrate|Atheromide|Atheropront|Athranid-wirkstoff|Atrolen|Atromid|Atromid S|Atromid-S|Atromida|Atromidin|Atrovis|AY 61123|Azionyl|Bioscleran|BRN 1913459|Cartagyl|Chlorphenisate|Citiflus|Claripex|Claripex CPIB|Cloberat|Clobrat|Clobren SF|Clobren-SF|Clofibate|Clofibram|Clofibrat|clofibrato|Clofibratum|Clofinit|Clofipront|Delipid|Dura clofibrat|ECPIB|EINECS 211-277-4|EPIB|Ethyl (p-chlorophenoxy) isobutyrate|Ethyl 2-(4-chlorophenoxy)-2-methylpropionate|Ethyl 2-(4-chlorophenoxy)isobutyrate|Ethyl 2-(p-chlorophenoxy)-2-methylpropionate|Ethyl 2-(p-chlorophenoxy)isobutyrate|Ethyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020336
ARPathway2016 ARPathway2016_1433 Clofibrate 637-07-0 DTXSID3020336 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1 Clofibrate 637-07-0|Clofibrate|2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl ester|2-(4-Chlorophenoxy)isobutyric acid ethyl ester|2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester|Abitrate|Acetic acid, (p-chlorophenoxy)dimethyl-, ethyl ester|alpha-(p-Chlorophenoxy)isobutyric acid, ethyl ester|alpha-p-Chlorophenoxyisobutyryl ethyl ester|Amotril|Amotril S|Angiokapsul|Anparton|Antilipid|Antilipide|Apolan|Arterioflexin|Arteriosan|Arterosol|Artevil|Ateculon|Ateriosan|Athebrate|Atheromide|Atheropront|Athranid-wirkstoff|Atrolen|Atromid|Atromid S|Atromid-S|Atromida|Atromidin|Atrovis|AY 61123|Azionyl|Bioscleran|BRN 1913459|Cartagyl|Chlorphenisate|Citiflus|Claripex|Claripex CPIB|Cloberat|Clobrat|Clobren SF|Clobren-SF|Clofibate|Clofibram|Clofibrat|clofibrato|Clofibratum|Clofinit|Clofipront|Delipid|Dura clofibrat|ECPIB|EINECS 211-277-4|EPIB|Ethyl (p-chlorophenoxy) isobutyrate|Ethyl 2-(4-chlorophenoxy)-2-methylpropionate|Ethyl 2-(4-chlorophenoxy)isobutyrate|Ethyl 2-(p-chlorophenoxy)-2-methylpropionate|Ethyl 2-(p-chlorophenoxy)isobutyrate|Ethyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020336
ARPathway2016 ARPathway2016_1433 Clofibrate 637-07-0 DTXSID3020336 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1 Clofibrate 637-07-0|Clofibrate|2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl ester|2-(4-Chlorophenoxy)isobutyric acid ethyl ester|2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester|Abitrate|Acetic acid, (p-chlorophenoxy)dimethyl-, ethyl ester|alpha-(p-Chlorophenoxy)isobutyric acid, ethyl ester|alpha-p-Chlorophenoxyisobutyryl ethyl ester|Amotril|Amotril S|Angiokapsul|Anparton|Antilipid|Antilipide|Apolan|Arterioflexin|Arteriosan|Arterosol|Artevil|Ateculon|Ateriosan|Athebrate|Atheromide|Atheropront|Athranid-wirkstoff|Atrolen|Atromid|Atromid S|Atromid-S|Atromida|Atromidin|Atrovis|AY 61123|Azionyl|Bioscleran|BRN 1913459|Cartagyl|Chlorphenisate|Citiflus|Claripex|Claripex CPIB|Cloberat|Clobrat|Clobren SF|Clobren-SF|Clofibate|Clofibram|Clofibrat|clofibrato|Clofibratum|Clofinit|Clofipront|Delipid|Dura clofibrat|ECPIB|EINECS 211-277-4|EPIB|Ethyl (p-chlorophenoxy) isobutyrate|Ethyl 2-(4-chlorophenoxy)-2-methylpropionate|Ethyl 2-(4-chlorophenoxy)isobutyrate|Ethyl 2-(p-chlorophenoxy)-2-methylpropionate|Ethyl 2-(p-chlorophenoxy)isobutyrate|Ethyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020336
ERPathway2016 ERPathway2016_1592 Clofibrate 637-07-0 DTXSID3020336 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1 Clofibrate 637-07-0|Clofibrate|2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl ester|2-(4-Chlorophenoxy)isobutyric acid ethyl ester|2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester|Abitrate|Acetic acid, (p-chlorophenoxy)dimethyl-, ethyl ester|alpha-(p-Chlorophenoxy)isobutyric acid, ethyl ester|alpha-p-Chlorophenoxyisobutyryl ethyl ester|Amotril|Amotril S|Angiokapsul|Anparton|Antilipid|Antilipide|Apolan|Arterioflexin|Arteriosan|Arterosol|Artevil|Ateculon|Ateriosan|Athebrate|Atheromide|Atheropront|Athranid-wirkstoff|Atrolen|Atromid|Atromid S|Atromid-S|Atromida|Atromidin|Atrovis|AY 61123|Azionyl|Bioscleran|BRN 1913459|Cartagyl|Chlorphenisate|Citiflus|Claripex|Claripex CPIB|Cloberat|Clobrat|Clobren SF|Clobren-SF|Clofibate|Clofibram|Clofibrat|clofibrato|Clofibratum|Clofinit|Clofipront|Delipid|Dura clofibrat|ECPIB|EINECS 211-277-4|EPIB|Ethyl (p-chlorophenoxy) isobutyrate|Ethyl 2-(4-chlorophenoxy)-2-methylpropionate|Ethyl 2-(4-chlorophenoxy)isobutyrate|Ethyl 2-(p-chlorophenoxy)-2-methylpropionate|Ethyl 2-(p-chlorophenoxy)isobutyrate|Ethyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020336
ERPathway2016 ERPathway2016_1592 Clofibrate 637-07-0 DTXSID3020336 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1 Clofibrate 637-07-0|Clofibrate|2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl ester|2-(4-Chlorophenoxy)isobutyric acid ethyl ester|2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester|Abitrate|Acetic acid, (p-chlorophenoxy)dimethyl-, ethyl ester|alpha-(p-Chlorophenoxy)isobutyric acid, ethyl ester|alpha-p-Chlorophenoxyisobutyryl ethyl ester|Amotril|Amotril S|Angiokapsul|Anparton|Antilipid|Antilipide|Apolan|Arterioflexin|Arteriosan|Arterosol|Artevil|Ateculon|Ateriosan|Athebrate|Atheromide|Atheropront|Athranid-wirkstoff|Atrolen|Atromid|Atromid S|Atromid-S|Atromida|Atromidin|Atrovis|AY 61123|Azionyl|Bioscleran|BRN 1913459|Cartagyl|Chlorphenisate|Citiflus|Claripex|Claripex CPIB|Cloberat|Clobrat|Clobren SF|Clobren-SF|Clofibate|Clofibram|Clofibrat|clofibrato|Clofibratum|Clofinit|Clofipront|Delipid|Dura clofibrat|ECPIB|EINECS 211-277-4|EPIB|Ethyl (p-chlorophenoxy) isobutyrate|Ethyl 2-(4-chlorophenoxy)-2-methylpropionate|Ethyl 2-(4-chlorophenoxy)isobutyrate|Ethyl 2-(p-chlorophenoxy)-2-methylpropionate|Ethyl 2-(p-chlorophenoxy)isobutyrate|Ethyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020336
ERPathway2016 ERPathway2016_1592 Clofibrate 637-07-0 DTXSID3020336 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1 Clofibrate 637-07-0|Clofibrate|2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl ester|2-(4-Chlorophenoxy)isobutyric acid ethyl ester|2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester|Abitrate|Acetic acid, (p-chlorophenoxy)dimethyl-, ethyl ester|alpha-(p-Chlorophenoxy)isobutyric acid, ethyl ester|alpha-p-Chlorophenoxyisobutyryl ethyl ester|Amotril|Amotril S|Angiokapsul|Anparton|Antilipid|Antilipide|Apolan|Arterioflexin|Arteriosan|Arterosol|Artevil|Ateculon|Ateriosan|Athebrate|Atheromide|Atheropront|Athranid-wirkstoff|Atrolen|Atromid|Atromid S|Atromid-S|Atromida|Atromidin|Atrovis|AY 61123|Azionyl|Bioscleran|BRN 1913459|Cartagyl|Chlorphenisate|Citiflus|Claripex|Claripex CPIB|Cloberat|Clobrat|Clobren SF|Clobren-SF|Clofibate|Clofibram|Clofibrat|clofibrato|Clofibratum|Clofinit|Clofipront|Delipid|Dura clofibrat|ECPIB|EINECS 211-277-4|EPIB|Ethyl (p-chlorophenoxy) isobutyrate|Ethyl 2-(4-chlorophenoxy)-2-methylpropionate|Ethyl 2-(4-chlorophenoxy)isobutyrate|Ethyl 2-(p-chlorophenoxy)-2-methylpropionate|Ethyl 2-(p-chlorophenoxy)isobutyrate|Ethyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020336
ERPathway2016 ERPathway2016_1592 Clofibrate 637-07-0 DTXSID3020336 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1 Clofibrate 637-07-0|Clofibrate|2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl ester|2-(4-Chlorophenoxy)isobutyric acid ethyl ester|2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester|Abitrate|Acetic acid, (p-chlorophenoxy)dimethyl-, ethyl ester|alpha-(p-Chlorophenoxy)isobutyric acid, ethyl ester|alpha-p-Chlorophenoxyisobutyryl ethyl ester|Amotril|Amotril S|Angiokapsul|Anparton|Antilipid|Antilipide|Apolan|Arterioflexin|Arteriosan|Arterosol|Artevil|Ateculon|Ateriosan|Athebrate|Atheromide|Atheropront|Athranid-wirkstoff|Atrolen|Atromid|Atromid S|Atromid-S|Atromida|Atromidin|Atrovis|AY 61123|Azionyl|Bioscleran|BRN 1913459|Cartagyl|Chlorphenisate|Citiflus|Claripex|Claripex CPIB|Cloberat|Clobrat|Clobren SF|Clobren-SF|Clofibate|Clofibram|Clofibrat|clofibrato|Clofibratum|Clofinit|Clofipront|Delipid|Dura clofibrat|ECPIB|EINECS 211-277-4|EPIB|Ethyl (p-chlorophenoxy) isobutyrate|Ethyl 2-(4-chlorophenoxy)-2-methylpropionate|Ethyl 2-(4-chlorophenoxy)isobutyrate|Ethyl 2-(p-chlorophenoxy)-2-methylpropionate|Ethyl 2-(p-chlorophenoxy)isobutyrate|Ethyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020336
ARPathway2016 ARPathway2016_289 Clomazone 81777-89-1 DTXSID1032355 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 13.9415704391378 uM CC1(C)CON(CC2=C(Cl)C=CC=C2)C1=O Clomazone 81777-89-1|Clomazone|2-((2-Chlorophenyl)methyl)-4,4-dimethyl-3-isoxazolidinone|2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one|2-(2-Chlorobenzyl)-4,4-dimethylisoxazolidin-3-one|2-[(2-Chlorophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone|3-Isoxazolidinone, 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-|Centium 360CS|Cirrus|Cirrus 50WP|Command|Command (pesticide)|Command 480 EC|Command EC|Dimethazone|EPA Pesticide Chemical Code 125401|F 57020|FMC 57020|FMC57020|Gamit|Isooxadiazon|PC 125401|PC Code 125401|UNII-570RAC03NF|89493-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032355
ARPathway2016 ARPathway2016_289 Clomazone 81777-89-1 DTXSID1032355 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 8.02251864175924 uM CC1(C)CON(CC2=C(Cl)C=CC=C2)C1=O Clomazone 81777-89-1|Clomazone|2-((2-Chlorophenyl)methyl)-4,4-dimethyl-3-isoxazolidinone|2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one|2-(2-Chlorobenzyl)-4,4-dimethylisoxazolidin-3-one|2-[(2-Chlorophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone|3-Isoxazolidinone, 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-|Centium 360CS|Cirrus|Cirrus 50WP|Command|Command (pesticide)|Command 480 EC|Command EC|Dimethazone|EPA Pesticide Chemical Code 125401|F 57020|FMC 57020|FMC57020|Gamit|Isooxadiazon|PC 125401|PC Code 125401|UNII-570RAC03NF|89493-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032355
ARPathway2016 ARPathway2016_289 Clomazone 81777-89-1 DTXSID1032355 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.12 Unitless CC1(C)CON(CC2=C(Cl)C=CC=C2)C1=O Clomazone 81777-89-1|Clomazone|2-((2-Chlorophenyl)methyl)-4,4-dimethyl-3-isoxazolidinone|2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one|2-(2-Chlorobenzyl)-4,4-dimethylisoxazolidin-3-one|2-[(2-Chlorophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone|3-Isoxazolidinone, 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-|Centium 360CS|Cirrus|Cirrus 50WP|Command|Command (pesticide)|Command 480 EC|Command EC|Dimethazone|EPA Pesticide Chemical Code 125401|F 57020|FMC 57020|FMC57020|Gamit|Isooxadiazon|PC 125401|PC Code 125401|UNII-570RAC03NF|89493-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032355
ARPathway2016 ARPathway2016_289 Clomazone 81777-89-1 DTXSID1032355 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)CON(CC2=C(Cl)C=CC=C2)C1=O Clomazone 81777-89-1|Clomazone|2-((2-Chlorophenyl)methyl)-4,4-dimethyl-3-isoxazolidinone|2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one|2-(2-Chlorobenzyl)-4,4-dimethylisoxazolidin-3-one|2-[(2-Chlorophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone|3-Isoxazolidinone, 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-|Centium 360CS|Cirrus|Cirrus 50WP|Command|Command (pesticide)|Command 480 EC|Command EC|Dimethazone|EPA Pesticide Chemical Code 125401|F 57020|FMC 57020|FMC57020|Gamit|Isooxadiazon|PC 125401|PC Code 125401|UNII-570RAC03NF|89493-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032355
ARPathway2016 ARPathway2016_289 Clomazone 81777-89-1 DTXSID1032355 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC1(C)CON(CC2=C(Cl)C=CC=C2)C1=O Clomazone 81777-89-1|Clomazone|2-((2-Chlorophenyl)methyl)-4,4-dimethyl-3-isoxazolidinone|2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one|2-(2-Chlorobenzyl)-4,4-dimethylisoxazolidin-3-one|2-[(2-Chlorophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone|3-Isoxazolidinone, 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-|Centium 360CS|Cirrus|Cirrus 50WP|Command|Command (pesticide)|Command 480 EC|Command EC|Dimethazone|EPA Pesticide Chemical Code 125401|F 57020|FMC 57020|FMC57020|Gamit|Isooxadiazon|PC 125401|PC Code 125401|UNII-570RAC03NF|89493-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032355
ARPathway2016 ARPathway2016_289 Clomazone 81777-89-1 DTXSID1032355 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)CON(CC2=C(Cl)C=CC=C2)C1=O Clomazone 81777-89-1|Clomazone|2-((2-Chlorophenyl)methyl)-4,4-dimethyl-3-isoxazolidinone|2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one|2-(2-Chlorobenzyl)-4,4-dimethylisoxazolidin-3-one|2-[(2-Chlorophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone|3-Isoxazolidinone, 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-|Centium 360CS|Cirrus|Cirrus 50WP|Command|Command (pesticide)|Command 480 EC|Command EC|Dimethazone|EPA Pesticide Chemical Code 125401|F 57020|FMC 57020|FMC57020|Gamit|Isooxadiazon|PC 125401|PC Code 125401|UNII-570RAC03NF|89493-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032355
ERPathway2016 ERPathway2016_873 Clomazone 81777-89-1 DTXSID1032355 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)CON(CC2=C(Cl)C=CC=C2)C1=O Clomazone 81777-89-1|Clomazone|2-((2-Chlorophenyl)methyl)-4,4-dimethyl-3-isoxazolidinone|2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one|2-(2-Chlorobenzyl)-4,4-dimethylisoxazolidin-3-one|2-[(2-Chlorophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone|3-Isoxazolidinone, 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-|Centium 360CS|Cirrus|Cirrus 50WP|Command|Command (pesticide)|Command 480 EC|Command EC|Dimethazone|EPA Pesticide Chemical Code 125401|F 57020|FMC 57020|FMC57020|Gamit|Isooxadiazon|PC 125401|PC Code 125401|UNII-570RAC03NF|89493-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032355
ERPathway2016 ERPathway2016_873 Clomazone 81777-89-1 DTXSID1032355 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)CON(CC2=C(Cl)C=CC=C2)C1=O Clomazone 81777-89-1|Clomazone|2-((2-Chlorophenyl)methyl)-4,4-dimethyl-3-isoxazolidinone|2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one|2-(2-Chlorobenzyl)-4,4-dimethylisoxazolidin-3-one|2-[(2-Chlorophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone|3-Isoxazolidinone, 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-|Centium 360CS|Cirrus|Cirrus 50WP|Command|Command (pesticide)|Command 480 EC|Command EC|Dimethazone|EPA Pesticide Chemical Code 125401|F 57020|FMC 57020|FMC57020|Gamit|Isooxadiazon|PC 125401|PC Code 125401|UNII-570RAC03NF|89493-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032355
ERPathway2016 ERPathway2016_873 Clomazone 81777-89-1 DTXSID1032355 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)CON(CC2=C(Cl)C=CC=C2)C1=O Clomazone 81777-89-1|Clomazone|2-((2-Chlorophenyl)methyl)-4,4-dimethyl-3-isoxazolidinone|2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one|2-(2-Chlorobenzyl)-4,4-dimethylisoxazolidin-3-one|2-[(2-Chlorophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone|3-Isoxazolidinone, 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-|Centium 360CS|Cirrus|Cirrus 50WP|Command|Command (pesticide)|Command 480 EC|Command EC|Dimethazone|EPA Pesticide Chemical Code 125401|F 57020|FMC 57020|FMC57020|Gamit|Isooxadiazon|PC 125401|PC Code 125401|UNII-570RAC03NF|89493-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032355
ERPathway2016 ERPathway2016_873 Clomazone 81777-89-1 DTXSID1032355 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)CON(CC2=C(Cl)C=CC=C2)C1=O Clomazone 81777-89-1|Clomazone|2-((2-Chlorophenyl)methyl)-4,4-dimethyl-3-isoxazolidinone|2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one|2-(2-Chlorobenzyl)-4,4-dimethylisoxazolidin-3-one|2-[(2-Chlorophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone|3-Isoxazolidinone, 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-|Centium 360CS|Cirrus|Cirrus 50WP|Command|Command (pesticide)|Command 480 EC|Command EC|Dimethazone|EPA Pesticide Chemical Code 125401|F 57020|FMC 57020|FMC57020|Gamit|Isooxadiazon|PC 125401|PC Code 125401|UNII-570RAC03NF|89493-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032355
ARPathway2016 ARPathway2016_190 Clomiphene citrate (1:1) 50-41-9 DTXSID8020337 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 24.04930221 uM OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1 Clomiphene citrate (1:1) 50-41-9|Clomiphene citrate (1:1)|1-(p-(beta-Diethylaminoethoxy)phenyl)-1,2-diphenyl-2-chloroethylene citrate|1-[p-(b-Diethylaminoethoxy)phenyl]-1,2-diphenyl-2-chloroethylene citrate|2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine citrate (1:1)|2-[4-(2-Chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1)|2-[p-(2-Chloro-1,2-diphenylvinyl)phenoxy]triethylamine dihydrogen citrate|2-Chloro-1-(p-(beta-diethylaminoethoxy)phenyl)-1,2-diphenylethylene citrate (1:1)|Ardomon|Chloramiphene|Clomid|clomifen dihydrogen citrate|Clomifendihydrogencitrat|Clomifene citrate|Clomiphen-arcana|Clomiphene citrate|Clomiphene dihydrogen citrate|Clomiphene-R|Clomipheni citras|Clomivid|Clomphid|Clostilbegit|Clostilbegyl|Clostilbegyt|Cyclolysal|dihidrogenocitrato de clomifeno|dihydrogenocitrate de clomifen|Dyneric|EINECS 200-035-3|Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Fertivet|Genozym|Gravosan|Ikaclomin|Ikaclomine|Indovar|Kyliformon|Mi https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020337
ARPathway2016 ARPathway2016_190 Clomiphene citrate (1:1) 50-41-9 DTXSID8020337 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 21.70287639 uM OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1 Clomiphene citrate (1:1) 50-41-9|Clomiphene citrate (1:1)|1-(p-(beta-Diethylaminoethoxy)phenyl)-1,2-diphenyl-2-chloroethylene citrate|1-[p-(b-Diethylaminoethoxy)phenyl]-1,2-diphenyl-2-chloroethylene citrate|2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine citrate (1:1)|2-[4-(2-Chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1)|2-[p-(2-Chloro-1,2-diphenylvinyl)phenoxy]triethylamine dihydrogen citrate|2-Chloro-1-(p-(beta-diethylaminoethoxy)phenyl)-1,2-diphenylethylene citrate (1:1)|Ardomon|Chloramiphene|Clomid|clomifen dihydrogen citrate|Clomifendihydrogencitrat|Clomifene citrate|Clomiphen-arcana|Clomiphene citrate|Clomiphene dihydrogen citrate|Clomiphene-R|Clomipheni citras|Clomivid|Clomphid|Clostilbegit|Clostilbegyl|Clostilbegyt|Cyclolysal|dihidrogenocitrato de clomifeno|dihydrogenocitrate de clomifen|Dyneric|EINECS 200-035-3|Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Fertivet|Genozym|Gravosan|Ikaclomin|Ikaclomine|Indovar|Kyliformon|Mi https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020337
ARPathway2016 ARPathway2016_190 Clomiphene citrate (1:1) 50-41-9 DTXSID8020337 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.311 Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1 Clomiphene citrate (1:1) 50-41-9|Clomiphene citrate (1:1)|1-(p-(beta-Diethylaminoethoxy)phenyl)-1,2-diphenyl-2-chloroethylene citrate|1-[p-(b-Diethylaminoethoxy)phenyl]-1,2-diphenyl-2-chloroethylene citrate|2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine citrate (1:1)|2-[4-(2-Chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1)|2-[p-(2-Chloro-1,2-diphenylvinyl)phenoxy]triethylamine dihydrogen citrate|2-Chloro-1-(p-(beta-diethylaminoethoxy)phenyl)-1,2-diphenylethylene citrate (1:1)|Ardomon|Chloramiphene|Clomid|clomifen dihydrogen citrate|Clomifendihydrogencitrat|Clomifene citrate|Clomiphen-arcana|Clomiphene citrate|Clomiphene dihydrogen citrate|Clomiphene-R|Clomipheni citras|Clomivid|Clomphid|Clostilbegit|Clostilbegyl|Clostilbegyt|Cyclolysal|dihidrogenocitrato de clomifeno|dihydrogenocitrate de clomifen|Dyneric|EINECS 200-035-3|Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Fertivet|Genozym|Gravosan|Ikaclomin|Ikaclomine|Indovar|Kyliformon|Mi https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020337
ARPathway2016 ARPathway2016_190 Clomiphene citrate (1:1) 50-41-9 DTXSID8020337 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1 Clomiphene citrate (1:1) 50-41-9|Clomiphene citrate (1:1)|1-(p-(beta-Diethylaminoethoxy)phenyl)-1,2-diphenyl-2-chloroethylene citrate|1-[p-(b-Diethylaminoethoxy)phenyl]-1,2-diphenyl-2-chloroethylene citrate|2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine citrate (1:1)|2-[4-(2-Chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1)|2-[p-(2-Chloro-1,2-diphenylvinyl)phenoxy]triethylamine dihydrogen citrate|2-Chloro-1-(p-(beta-diethylaminoethoxy)phenyl)-1,2-diphenylethylene citrate (1:1)|Ardomon|Chloramiphene|Clomid|clomifen dihydrogen citrate|Clomifendihydrogencitrat|Clomifene citrate|Clomiphen-arcana|Clomiphene citrate|Clomiphene dihydrogen citrate|Clomiphene-R|Clomipheni citras|Clomivid|Clomphid|Clostilbegit|Clostilbegyl|Clostilbegyt|Cyclolysal|dihidrogenocitrato de clomifeno|dihydrogenocitrate de clomifen|Dyneric|EINECS 200-035-3|Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Fertivet|Genozym|Gravosan|Ikaclomin|Ikaclomine|Indovar|Kyliformon|Mi https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020337
ARPathway2016 ARPathway2016_190 Clomiphene citrate (1:1) 50-41-9 DTXSID8020337 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1 Clomiphene citrate (1:1) 50-41-9|Clomiphene citrate (1:1)|1-(p-(beta-Diethylaminoethoxy)phenyl)-1,2-diphenyl-2-chloroethylene citrate|1-[p-(b-Diethylaminoethoxy)phenyl]-1,2-diphenyl-2-chloroethylene citrate|2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine citrate (1:1)|2-[4-(2-Chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1)|2-[p-(2-Chloro-1,2-diphenylvinyl)phenoxy]triethylamine dihydrogen citrate|2-Chloro-1-(p-(beta-diethylaminoethoxy)phenyl)-1,2-diphenylethylene citrate (1:1)|Ardomon|Chloramiphene|Clomid|clomifen dihydrogen citrate|Clomifendihydrogencitrat|Clomifene citrate|Clomiphen-arcana|Clomiphene citrate|Clomiphene dihydrogen citrate|Clomiphene-R|Clomipheni citras|Clomivid|Clomphid|Clostilbegit|Clostilbegyl|Clostilbegyt|Cyclolysal|dihidrogenocitrato de clomifeno|dihydrogenocitrate de clomifen|Dyneric|EINECS 200-035-3|Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Fertivet|Genozym|Gravosan|Ikaclomin|Ikaclomine|Indovar|Kyliformon|Mi https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020337
ARPathway2016 ARPathway2016_190 Clomiphene citrate (1:1) 50-41-9 DTXSID8020337 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1 Clomiphene citrate (1:1) 50-41-9|Clomiphene citrate (1:1)|1-(p-(beta-Diethylaminoethoxy)phenyl)-1,2-diphenyl-2-chloroethylene citrate|1-[p-(b-Diethylaminoethoxy)phenyl]-1,2-diphenyl-2-chloroethylene citrate|2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine citrate (1:1)|2-[4-(2-Chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1)|2-[p-(2-Chloro-1,2-diphenylvinyl)phenoxy]triethylamine dihydrogen citrate|2-Chloro-1-(p-(beta-diethylaminoethoxy)phenyl)-1,2-diphenylethylene citrate (1:1)|Ardomon|Chloramiphene|Clomid|clomifen dihydrogen citrate|Clomifendihydrogencitrat|Clomifene citrate|Clomiphen-arcana|Clomiphene citrate|Clomiphene dihydrogen citrate|Clomiphene-R|Clomipheni citras|Clomivid|Clomphid|Clostilbegit|Clostilbegyl|Clostilbegyt|Cyclolysal|dihidrogenocitrato de clomifeno|dihydrogenocitrate de clomifen|Dyneric|EINECS 200-035-3|Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Fertivet|Genozym|Gravosan|Ikaclomin|Ikaclomine|Indovar|Kyliformon|Mi https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020337
ERPathway2016 ERPathway2016_2 Clomiphene citrate (1:1) 50-41-9 DTXSID8020337 Antagonist ER Pathway Model, Agonist AC50 0.0397160261365698 uM OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1 Clomiphene citrate (1:1) 50-41-9|Clomiphene citrate (1:1)|1-(p-(beta-Diethylaminoethoxy)phenyl)-1,2-diphenyl-2-chloroethylene citrate|1-[p-(b-Diethylaminoethoxy)phenyl]-1,2-diphenyl-2-chloroethylene citrate|2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine citrate (1:1)|2-[4-(2-Chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1)|2-[p-(2-Chloro-1,2-diphenylvinyl)phenoxy]triethylamine dihydrogen citrate|2-Chloro-1-(p-(beta-diethylaminoethoxy)phenyl)-1,2-diphenylethylene citrate (1:1)|Ardomon|Chloramiphene|Clomid|clomifen dihydrogen citrate|Clomifendihydrogencitrat|Clomifene citrate|Clomiphen-arcana|Clomiphene citrate|Clomiphene dihydrogen citrate|Clomiphene-R|Clomipheni citras|Clomivid|Clomphid|Clostilbegit|Clostilbegyl|Clostilbegyt|Cyclolysal|dihidrogenocitrato de clomifeno|dihydrogenocitrate de clomifen|Dyneric|EINECS 200-035-3|Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Fertivet|Genozym|Gravosan|Ikaclomin|Ikaclomine|Indovar|Kyliformon|Mi https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020337
ERPathway2016 ERPathway2016_2 Clomiphene citrate (1:1) 50-41-9 DTXSID8020337 Antagonist ER Pathway Model, Agonist ACC 0.000555677864461449 uM OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1 Clomiphene citrate (1:1) 50-41-9|Clomiphene citrate (1:1)|1-(p-(beta-Diethylaminoethoxy)phenyl)-1,2-diphenyl-2-chloroethylene citrate|1-[p-(b-Diethylaminoethoxy)phenyl]-1,2-diphenyl-2-chloroethylene citrate|2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine citrate (1:1)|2-[4-(2-Chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1)|2-[p-(2-Chloro-1,2-diphenylvinyl)phenoxy]triethylamine dihydrogen citrate|2-Chloro-1-(p-(beta-diethylaminoethoxy)phenyl)-1,2-diphenylethylene citrate (1:1)|Ardomon|Chloramiphene|Clomid|clomifen dihydrogen citrate|Clomifendihydrogencitrat|Clomifene citrate|Clomiphen-arcana|Clomiphene citrate|Clomiphene dihydrogen citrate|Clomiphene-R|Clomipheni citras|Clomivid|Clomphid|Clostilbegit|Clostilbegyl|Clostilbegyt|Cyclolysal|dihidrogenocitrato de clomifeno|dihydrogenocitrate de clomifen|Dyneric|EINECS 200-035-3|Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Fertivet|Genozym|Gravosan|Ikaclomin|Ikaclomine|Indovar|Kyliformon|Mi https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020337
ERPathway2016 ERPathway2016_2 Clomiphene citrate (1:1) 50-41-9 DTXSID8020337 Antagonist ER Pathway Model, Agonist Model Score 0.0293 Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1 Clomiphene citrate (1:1) 50-41-9|Clomiphene citrate (1:1)|1-(p-(beta-Diethylaminoethoxy)phenyl)-1,2-diphenyl-2-chloroethylene citrate|1-[p-(b-Diethylaminoethoxy)phenyl]-1,2-diphenyl-2-chloroethylene citrate|2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine citrate (1:1)|2-[4-(2-Chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1)|2-[p-(2-Chloro-1,2-diphenylvinyl)phenoxy]triethylamine dihydrogen citrate|2-Chloro-1-(p-(beta-diethylaminoethoxy)phenyl)-1,2-diphenylethylene citrate (1:1)|Ardomon|Chloramiphene|Clomid|clomifen dihydrogen citrate|Clomifendihydrogencitrat|Clomifene citrate|Clomiphen-arcana|Clomiphene citrate|Clomiphene dihydrogen citrate|Clomiphene-R|Clomipheni citras|Clomivid|Clomphid|Clostilbegit|Clostilbegyl|Clostilbegyt|Cyclolysal|dihidrogenocitrato de clomifeno|dihydrogenocitrate de clomifen|Dyneric|EINECS 200-035-3|Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Fertivet|Genozym|Gravosan|Ikaclomin|Ikaclomine|Indovar|Kyliformon|Mi https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020337
ERPathway2016 ERPathway2016_2 Clomiphene citrate (1:1) 50-41-9 DTXSID8020337 Antagonist ER Pathway Model, Antagonist Model Score 0.588 Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1 Clomiphene citrate (1:1) 50-41-9|Clomiphene citrate (1:1)|1-(p-(beta-Diethylaminoethoxy)phenyl)-1,2-diphenyl-2-chloroethylene citrate|1-[p-(b-Diethylaminoethoxy)phenyl]-1,2-diphenyl-2-chloroethylene citrate|2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine citrate (1:1)|2-[4-(2-Chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1)|2-[p-(2-Chloro-1,2-diphenylvinyl)phenoxy]triethylamine dihydrogen citrate|2-Chloro-1-(p-(beta-diethylaminoethoxy)phenyl)-1,2-diphenylethylene citrate (1:1)|Ardomon|Chloramiphene|Clomid|clomifen dihydrogen citrate|Clomifendihydrogencitrat|Clomifene citrate|Clomiphen-arcana|Clomiphene citrate|Clomiphene dihydrogen citrate|Clomiphene-R|Clomipheni citras|Clomivid|Clomphid|Clostilbegit|Clostilbegyl|Clostilbegyt|Cyclolysal|dihidrogenocitrato de clomifeno|dihydrogenocitrate de clomifen|Dyneric|EINECS 200-035-3|Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Fertivet|Genozym|Gravosan|Ikaclomin|Ikaclomine|Indovar|Kyliformon|Mi https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020337
ERPathway2016 ERPathway2016_2 Clomiphene citrate (1:1) 50-41-9 DTXSID8020337 Antagonist ER Pathway Model, Agonist Call Active Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1 Clomiphene citrate (1:1) 50-41-9|Clomiphene citrate (1:1)|1-(p-(beta-Diethylaminoethoxy)phenyl)-1,2-diphenyl-2-chloroethylene citrate|1-[p-(b-Diethylaminoethoxy)phenyl]-1,2-diphenyl-2-chloroethylene citrate|2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine citrate (1:1)|2-[4-(2-Chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1)|2-[p-(2-Chloro-1,2-diphenylvinyl)phenoxy]triethylamine dihydrogen citrate|2-Chloro-1-(p-(beta-diethylaminoethoxy)phenyl)-1,2-diphenylethylene citrate (1:1)|Ardomon|Chloramiphene|Clomid|clomifen dihydrogen citrate|Clomifendihydrogencitrat|Clomifene citrate|Clomiphen-arcana|Clomiphene citrate|Clomiphene dihydrogen citrate|Clomiphene-R|Clomipheni citras|Clomivid|Clomphid|Clostilbegit|Clostilbegyl|Clostilbegyt|Cyclolysal|dihidrogenocitrato de clomifeno|dihydrogenocitrate de clomifen|Dyneric|EINECS 200-035-3|Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Fertivet|Genozym|Gravosan|Ikaclomin|Ikaclomine|Indovar|Kyliformon|Mi https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020337
ERPathway2016 ERPathway2016_2 Clomiphene citrate (1:1) 50-41-9 DTXSID8020337 Antagonist ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1 Clomiphene citrate (1:1) 50-41-9|Clomiphene citrate (1:1)|1-(p-(beta-Diethylaminoethoxy)phenyl)-1,2-diphenyl-2-chloroethylene citrate|1-[p-(b-Diethylaminoethoxy)phenyl]-1,2-diphenyl-2-chloroethylene citrate|2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine citrate (1:1)|2-[4-(2-Chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1)|2-[p-(2-Chloro-1,2-diphenylvinyl)phenoxy]triethylamine dihydrogen citrate|2-Chloro-1-(p-(beta-diethylaminoethoxy)phenyl)-1,2-diphenylethylene citrate (1:1)|Ardomon|Chloramiphene|Clomid|clomifen dihydrogen citrate|Clomifendihydrogencitrat|Clomifene citrate|Clomiphen-arcana|Clomiphene citrate|Clomiphene dihydrogen citrate|Clomiphene-R|Clomipheni citras|Clomivid|Clomphid|Clostilbegit|Clostilbegyl|Clostilbegyt|Cyclolysal|dihidrogenocitrato de clomifeno|dihydrogenocitrate de clomifen|Dyneric|EINECS 200-035-3|Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Fertivet|Genozym|Gravosan|Ikaclomin|Ikaclomine|Indovar|Kyliformon|Mi https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020337
ARPathway2016 ARPathway2016_932 Clopyralid 1702-17-6 DTXSID9029221 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=C(Cl)C=CC(Cl)=N1 Clopyralid 1702-17-6|Clopyralid|2-Pyridine carboxylic acid, 3,6-dichloro-|2-Pyridinecarboxylic acid, 3,6-dichloro-|216-935-4|3,6-Dichloro-2-picolinic acid|3,6-Dichloro-2-pyridinecarboxylic acid|3,6-Dichloropicolinic acid|5-22-02-00046|Acide 3,6-dichloropicolinique|Acide dichloro-3,6 picolinique|Benzalox|BRN 0473755|Campaign|Caswell No. 323H|Cirtoxin|Cliophar|Clopyralide|Crusader S|Cyronal|Dichloro pyridine acid|EC No.: 216-935-4|EINECS 216-935-4|EPA Pesticide Chemical Code 117401|Huiloralid|Kyselina 3,6-dichlorpikolinova|Lontrel|Lontrel 100|Lontrel L|Lontrel SF 100|Matrigon|PC 117401|PC Code 117401|Picolinic acid, 3,6-dichloro-|Reclaim|Stinger|Transline|UNII-10G14M0WDH|Versatill https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029221
ARPathway2016 ARPathway2016_932 Clopyralid 1702-17-6 DTXSID9029221 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=C(Cl)C=CC(Cl)=N1 Clopyralid 1702-17-6|Clopyralid|2-Pyridine carboxylic acid, 3,6-dichloro-|2-Pyridinecarboxylic acid, 3,6-dichloro-|216-935-4|3,6-Dichloro-2-picolinic acid|3,6-Dichloro-2-pyridinecarboxylic acid|3,6-Dichloropicolinic acid|5-22-02-00046|Acide 3,6-dichloropicolinique|Acide dichloro-3,6 picolinique|Benzalox|BRN 0473755|Campaign|Caswell No. 323H|Cirtoxin|Cliophar|Clopyralide|Crusader S|Cyronal|Dichloro pyridine acid|EC No.: 216-935-4|EINECS 216-935-4|EPA Pesticide Chemical Code 117401|Huiloralid|Kyselina 3,6-dichlorpikolinova|Lontrel|Lontrel 100|Lontrel L|Lontrel SF 100|Matrigon|PC 117401|PC Code 117401|Picolinic acid, 3,6-dichloro-|Reclaim|Stinger|Transline|UNII-10G14M0WDH|Versatill https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029221
ARPathway2016 ARPathway2016_932 Clopyralid 1702-17-6 DTXSID9029221 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=C(Cl)C=CC(Cl)=N1 Clopyralid 1702-17-6|Clopyralid|2-Pyridine carboxylic acid, 3,6-dichloro-|2-Pyridinecarboxylic acid, 3,6-dichloro-|216-935-4|3,6-Dichloro-2-picolinic acid|3,6-Dichloro-2-pyridinecarboxylic acid|3,6-Dichloropicolinic acid|5-22-02-00046|Acide 3,6-dichloropicolinique|Acide dichloro-3,6 picolinique|Benzalox|BRN 0473755|Campaign|Caswell No. 323H|Cirtoxin|Cliophar|Clopyralide|Crusader S|Cyronal|Dichloro pyridine acid|EC No.: 216-935-4|EINECS 216-935-4|EPA Pesticide Chemical Code 117401|Huiloralid|Kyselina 3,6-dichlorpikolinova|Lontrel|Lontrel 100|Lontrel L|Lontrel SF 100|Matrigon|PC 117401|PC Code 117401|Picolinic acid, 3,6-dichloro-|Reclaim|Stinger|Transline|UNII-10G14M0WDH|Versatill https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029221
ARPathway2016 ARPathway2016_932 Clopyralid 1702-17-6 DTXSID9029221 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=C(Cl)C=CC(Cl)=N1 Clopyralid 1702-17-6|Clopyralid|2-Pyridine carboxylic acid, 3,6-dichloro-|2-Pyridinecarboxylic acid, 3,6-dichloro-|216-935-4|3,6-Dichloro-2-picolinic acid|3,6-Dichloro-2-pyridinecarboxylic acid|3,6-Dichloropicolinic acid|5-22-02-00046|Acide 3,6-dichloropicolinique|Acide dichloro-3,6 picolinique|Benzalox|BRN 0473755|Campaign|Caswell No. 323H|Cirtoxin|Cliophar|Clopyralide|Crusader S|Cyronal|Dichloro pyridine acid|EC No.: 216-935-4|EINECS 216-935-4|EPA Pesticide Chemical Code 117401|Huiloralid|Kyselina 3,6-dichlorpikolinova|Lontrel|Lontrel 100|Lontrel L|Lontrel SF 100|Matrigon|PC 117401|PC Code 117401|Picolinic acid, 3,6-dichloro-|Reclaim|Stinger|Transline|UNII-10G14M0WDH|Versatill https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029221
ERPathway2016 ERPathway2016_891 Clopyralid 1702-17-6 DTXSID9029221 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=C(Cl)C=CC(Cl)=N1 Clopyralid 1702-17-6|Clopyralid|2-Pyridine carboxylic acid, 3,6-dichloro-|2-Pyridinecarboxylic acid, 3,6-dichloro-|216-935-4|3,6-Dichloro-2-picolinic acid|3,6-Dichloro-2-pyridinecarboxylic acid|3,6-Dichloropicolinic acid|5-22-02-00046|Acide 3,6-dichloropicolinique|Acide dichloro-3,6 picolinique|Benzalox|BRN 0473755|Campaign|Caswell No. 323H|Cirtoxin|Cliophar|Clopyralide|Crusader S|Cyronal|Dichloro pyridine acid|EC No.: 216-935-4|EINECS 216-935-4|EPA Pesticide Chemical Code 117401|Huiloralid|Kyselina 3,6-dichlorpikolinova|Lontrel|Lontrel 100|Lontrel L|Lontrel SF 100|Matrigon|PC 117401|PC Code 117401|Picolinic acid, 3,6-dichloro-|Reclaim|Stinger|Transline|UNII-10G14M0WDH|Versatill https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029221
ERPathway2016 ERPathway2016_891 Clopyralid 1702-17-6 DTXSID9029221 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=C(Cl)C=CC(Cl)=N1 Clopyralid 1702-17-6|Clopyralid|2-Pyridine carboxylic acid, 3,6-dichloro-|2-Pyridinecarboxylic acid, 3,6-dichloro-|216-935-4|3,6-Dichloro-2-picolinic acid|3,6-Dichloro-2-pyridinecarboxylic acid|3,6-Dichloropicolinic acid|5-22-02-00046|Acide 3,6-dichloropicolinique|Acide dichloro-3,6 picolinique|Benzalox|BRN 0473755|Campaign|Caswell No. 323H|Cirtoxin|Cliophar|Clopyralide|Crusader S|Cyronal|Dichloro pyridine acid|EC No.: 216-935-4|EINECS 216-935-4|EPA Pesticide Chemical Code 117401|Huiloralid|Kyselina 3,6-dichlorpikolinova|Lontrel|Lontrel 100|Lontrel L|Lontrel SF 100|Matrigon|PC 117401|PC Code 117401|Picolinic acid, 3,6-dichloro-|Reclaim|Stinger|Transline|UNII-10G14M0WDH|Versatill https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029221
ERPathway2016 ERPathway2016_891 Clopyralid 1702-17-6 DTXSID9029221 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=C(Cl)C=CC(Cl)=N1 Clopyralid 1702-17-6|Clopyralid|2-Pyridine carboxylic acid, 3,6-dichloro-|2-Pyridinecarboxylic acid, 3,6-dichloro-|216-935-4|3,6-Dichloro-2-picolinic acid|3,6-Dichloro-2-pyridinecarboxylic acid|3,6-Dichloropicolinic acid|5-22-02-00046|Acide 3,6-dichloropicolinique|Acide dichloro-3,6 picolinique|Benzalox|BRN 0473755|Campaign|Caswell No. 323H|Cirtoxin|Cliophar|Clopyralide|Crusader S|Cyronal|Dichloro pyridine acid|EC No.: 216-935-4|EINECS 216-935-4|EPA Pesticide Chemical Code 117401|Huiloralid|Kyselina 3,6-dichlorpikolinova|Lontrel|Lontrel 100|Lontrel L|Lontrel SF 100|Matrigon|PC 117401|PC Code 117401|Picolinic acid, 3,6-dichloro-|Reclaim|Stinger|Transline|UNII-10G14M0WDH|Versatill https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029221
ERPathway2016 ERPathway2016_891 Clopyralid 1702-17-6 DTXSID9029221 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=C(Cl)C=CC(Cl)=N1 Clopyralid 1702-17-6|Clopyralid|2-Pyridine carboxylic acid, 3,6-dichloro-|2-Pyridinecarboxylic acid, 3,6-dichloro-|216-935-4|3,6-Dichloro-2-picolinic acid|3,6-Dichloro-2-pyridinecarboxylic acid|3,6-Dichloropicolinic acid|5-22-02-00046|Acide 3,6-dichloropicolinique|Acide dichloro-3,6 picolinique|Benzalox|BRN 0473755|Campaign|Caswell No. 323H|Cirtoxin|Cliophar|Clopyralide|Crusader S|Cyronal|Dichloro pyridine acid|EC No.: 216-935-4|EINECS 216-935-4|EPA Pesticide Chemical Code 117401|Huiloralid|Kyselina 3,6-dichlorpikolinova|Lontrel|Lontrel 100|Lontrel L|Lontrel SF 100|Matrigon|PC 117401|PC Code 117401|Picolinic acid, 3,6-dichloro-|Reclaim|Stinger|Transline|UNII-10G14M0WDH|Versatill https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029221
ARPathway2016 ARPathway2016_1348 Clopyralid-olamine 57754-85-5 DTXSID6034265 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NCCO.OC(=O)C1=C(Cl)C=CC(Cl)=N1 Clopyralid-olamine 57754-85-5|Clopyralid-olamine|2-Pyridinecarboxylic acid, 3,6-dichloro-, compd. with 2-aminoethanol (1:1)|3,6-Dichloropyridine-2-carboxylic acid, compound with 2-aminoethanol (1:1)|Clopyralid-(2-hydroxyethyl)ammonium|EINECS 260-929-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034265
ARPathway2016 ARPathway2016_1348 Clopyralid-olamine 57754-85-5 DTXSID6034265 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NCCO.OC(=O)C1=C(Cl)C=CC(Cl)=N1 Clopyralid-olamine 57754-85-5|Clopyralid-olamine|2-Pyridinecarboxylic acid, 3,6-dichloro-, compd. with 2-aminoethanol (1:1)|3,6-Dichloropyridine-2-carboxylic acid, compound with 2-aminoethanol (1:1)|Clopyralid-(2-hydroxyethyl)ammonium|EINECS 260-929-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034265
ARPathway2016 ARPathway2016_1348 Clopyralid-olamine 57754-85-5 DTXSID6034265 0.0 AR Pathway Model, Agonist Call Inactive Unitless NCCO.OC(=O)C1=C(Cl)C=CC(Cl)=N1 Clopyralid-olamine 57754-85-5|Clopyralid-olamine|2-Pyridinecarboxylic acid, 3,6-dichloro-, compd. with 2-aminoethanol (1:1)|3,6-Dichloropyridine-2-carboxylic acid, compound with 2-aminoethanol (1:1)|Clopyralid-(2-hydroxyethyl)ammonium|EINECS 260-929-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034265
ARPathway2016 ARPathway2016_1348 Clopyralid-olamine 57754-85-5 DTXSID6034265 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NCCO.OC(=O)C1=C(Cl)C=CC(Cl)=N1 Clopyralid-olamine 57754-85-5|Clopyralid-olamine|2-Pyridinecarboxylic acid, 3,6-dichloro-, compd. with 2-aminoethanol (1:1)|3,6-Dichloropyridine-2-carboxylic acid, compound with 2-aminoethanol (1:1)|Clopyralid-(2-hydroxyethyl)ammonium|EINECS 260-929-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034265
ERPathway2016 ERPathway2016_1552 Clopyralid-olamine 57754-85-5 DTXSID6034265 ER Pathway Model, Agonist Model Score 0 Unitless NCCO.OC(=O)C1=C(Cl)C=CC(Cl)=N1 Clopyralid-olamine 57754-85-5|Clopyralid-olamine|2-Pyridinecarboxylic acid, 3,6-dichloro-, compd. with 2-aminoethanol (1:1)|3,6-Dichloropyridine-2-carboxylic acid, compound with 2-aminoethanol (1:1)|Clopyralid-(2-hydroxyethyl)ammonium|EINECS 260-929-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034265
ERPathway2016 ERPathway2016_1552 Clopyralid-olamine 57754-85-5 DTXSID6034265 ER Pathway Model, Antagonist Model Score 0 Unitless NCCO.OC(=O)C1=C(Cl)C=CC(Cl)=N1 Clopyralid-olamine 57754-85-5|Clopyralid-olamine|2-Pyridinecarboxylic acid, 3,6-dichloro-, compd. with 2-aminoethanol (1:1)|3,6-Dichloropyridine-2-carboxylic acid, compound with 2-aminoethanol (1:1)|Clopyralid-(2-hydroxyethyl)ammonium|EINECS 260-929-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034265
ERPathway2016 ERPathway2016_1552 Clopyralid-olamine 57754-85-5 DTXSID6034265 ER Pathway Model, Agonist Call Inactive Unitless NCCO.OC(=O)C1=C(Cl)C=CC(Cl)=N1 Clopyralid-olamine 57754-85-5|Clopyralid-olamine|2-Pyridinecarboxylic acid, 3,6-dichloro-, compd. with 2-aminoethanol (1:1)|3,6-Dichloropyridine-2-carboxylic acid, compound with 2-aminoethanol (1:1)|Clopyralid-(2-hydroxyethyl)ammonium|EINECS 260-929-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034265
ERPathway2016 ERPathway2016_1552 Clopyralid-olamine 57754-85-5 DTXSID6034265 ER Pathway Model, Antagonist Call Inactive Unitless NCCO.OC(=O)C1=C(Cl)C=CC(Cl)=N1 Clopyralid-olamine 57754-85-5|Clopyralid-olamine|2-Pyridinecarboxylic acid, 3,6-dichloro-, compd. with 2-aminoethanol (1:1)|3,6-Dichloropyridine-2-carboxylic acid, compound with 2-aminoethanol (1:1)|Clopyralid-(2-hydroxyethyl)ammonium|EINECS 260-929-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034265
ARPathway2016 ARPathway2016_1817 Cloquintocet-mexyl 99607-70-2 DTXSID3041794 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCC(C)OC(=O)COC1=CC=C(Cl)C2=CC=CN=C12 Cloquintocet-mexyl 99607-70-2|Cloquintocet-mexyl|(RS)-1-Methylhexyl (5-chloroquinolin-8-yloxy) acetate|1-methylhexyl [(5-chloroquinolin-8-yl)oxy]acetate|1-Methylhexyl 2-[(5-chloroquinolin-8-yl)oxy]acetate|1-methylhexyl-(5-chloroquinolin-8-yloxy)acetate|619-447-3|920-765-2|Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, 1-methylhexyl ester|Acetic acid, {(5-chloro-8-quinolinyl)oxy}-, 1-methylhexyl ester|Acetic acid, 2- [(5- chloro- 8- quinolinyl) oxy] - , 1- methylhexyl ester|CGA 185072|Cloquintocet 1-methylhexyl ester|EC No.: 619-447-3|EC No.: 920-765-2|Formulation 24 (Cloquintocet-mexyl)|Heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate|Pinoxaden|UNII-99W15EH2M3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041794
ARPathway2016 ARPathway2016_1817 Cloquintocet-mexyl 99607-70-2 DTXSID3041794 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCC(C)OC(=O)COC1=CC=C(Cl)C2=CC=CN=C12 Cloquintocet-mexyl 99607-70-2|Cloquintocet-mexyl|(RS)-1-Methylhexyl (5-chloroquinolin-8-yloxy) acetate|1-methylhexyl [(5-chloroquinolin-8-yl)oxy]acetate|1-Methylhexyl 2-[(5-chloroquinolin-8-yl)oxy]acetate|1-methylhexyl-(5-chloroquinolin-8-yloxy)acetate|619-447-3|920-765-2|Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, 1-methylhexyl ester|Acetic acid, {(5-chloro-8-quinolinyl)oxy}-, 1-methylhexyl ester|Acetic acid, 2- [(5- chloro- 8- quinolinyl) oxy] - , 1- methylhexyl ester|CGA 185072|Cloquintocet 1-methylhexyl ester|EC No.: 619-447-3|EC No.: 920-765-2|Formulation 24 (Cloquintocet-mexyl)|Heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate|Pinoxaden|UNII-99W15EH2M3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041794
ARPathway2016 ARPathway2016_1817 Cloquintocet-mexyl 99607-70-2 DTXSID3041794 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CCCCCC(C)OC(=O)COC1=CC=C(Cl)C2=CC=CN=C12 Cloquintocet-mexyl 99607-70-2|Cloquintocet-mexyl|(RS)-1-Methylhexyl (5-chloroquinolin-8-yloxy) acetate|1-methylhexyl [(5-chloroquinolin-8-yl)oxy]acetate|1-Methylhexyl 2-[(5-chloroquinolin-8-yl)oxy]acetate|1-methylhexyl-(5-chloroquinolin-8-yloxy)acetate|619-447-3|920-765-2|Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, 1-methylhexyl ester|Acetic acid, {(5-chloro-8-quinolinyl)oxy}-, 1-methylhexyl ester|Acetic acid, 2- [(5- chloro- 8- quinolinyl) oxy] - , 1- methylhexyl ester|CGA 185072|Cloquintocet 1-methylhexyl ester|EC No.: 619-447-3|EC No.: 920-765-2|Formulation 24 (Cloquintocet-mexyl)|Heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate|Pinoxaden|UNII-99W15EH2M3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041794
ARPathway2016 ARPathway2016_1817 Cloquintocet-mexyl 99607-70-2 DTXSID3041794 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCC(C)OC(=O)COC1=CC=C(Cl)C2=CC=CN=C12 Cloquintocet-mexyl 99607-70-2|Cloquintocet-mexyl|(RS)-1-Methylhexyl (5-chloroquinolin-8-yloxy) acetate|1-methylhexyl [(5-chloroquinolin-8-yl)oxy]acetate|1-Methylhexyl 2-[(5-chloroquinolin-8-yl)oxy]acetate|1-methylhexyl-(5-chloroquinolin-8-yloxy)acetate|619-447-3|920-765-2|Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, 1-methylhexyl ester|Acetic acid, {(5-chloro-8-quinolinyl)oxy}-, 1-methylhexyl ester|Acetic acid, 2- [(5- chloro- 8- quinolinyl) oxy] - , 1- methylhexyl ester|CGA 185072|Cloquintocet 1-methylhexyl ester|EC No.: 619-447-3|EC No.: 920-765-2|Formulation 24 (Cloquintocet-mexyl)|Heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate|Pinoxaden|UNII-99W15EH2M3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041794
ERPathway2016 ERPathway2016_1797 Cloquintocet-mexyl 99607-70-2 DTXSID3041794 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCC(C)OC(=O)COC1=CC=C(Cl)C2=CC=CN=C12 Cloquintocet-mexyl 99607-70-2|Cloquintocet-mexyl|(RS)-1-Methylhexyl (5-chloroquinolin-8-yloxy) acetate|1-methylhexyl [(5-chloroquinolin-8-yl)oxy]acetate|1-Methylhexyl 2-[(5-chloroquinolin-8-yl)oxy]acetate|1-methylhexyl-(5-chloroquinolin-8-yloxy)acetate|619-447-3|920-765-2|Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, 1-methylhexyl ester|Acetic acid, {(5-chloro-8-quinolinyl)oxy}-, 1-methylhexyl ester|Acetic acid, 2- [(5- chloro- 8- quinolinyl) oxy] - , 1- methylhexyl ester|CGA 185072|Cloquintocet 1-methylhexyl ester|EC No.: 619-447-3|EC No.: 920-765-2|Formulation 24 (Cloquintocet-mexyl)|Heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate|Pinoxaden|UNII-99W15EH2M3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041794
ERPathway2016 ERPathway2016_1797 Cloquintocet-mexyl 99607-70-2 DTXSID3041794 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCC(C)OC(=O)COC1=CC=C(Cl)C2=CC=CN=C12 Cloquintocet-mexyl 99607-70-2|Cloquintocet-mexyl|(RS)-1-Methylhexyl (5-chloroquinolin-8-yloxy) acetate|1-methylhexyl [(5-chloroquinolin-8-yl)oxy]acetate|1-Methylhexyl 2-[(5-chloroquinolin-8-yl)oxy]acetate|1-methylhexyl-(5-chloroquinolin-8-yloxy)acetate|619-447-3|920-765-2|Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, 1-methylhexyl ester|Acetic acid, {(5-chloro-8-quinolinyl)oxy}-, 1-methylhexyl ester|Acetic acid, 2- [(5- chloro- 8- quinolinyl) oxy] - , 1- methylhexyl ester|CGA 185072|Cloquintocet 1-methylhexyl ester|EC No.: 619-447-3|EC No.: 920-765-2|Formulation 24 (Cloquintocet-mexyl)|Heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate|Pinoxaden|UNII-99W15EH2M3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041794
ERPathway2016 ERPathway2016_1797 Cloquintocet-mexyl 99607-70-2 DTXSID3041794 ER Pathway Model, Agonist Call Inactive Unitless CCCCCC(C)OC(=O)COC1=CC=C(Cl)C2=CC=CN=C12 Cloquintocet-mexyl 99607-70-2|Cloquintocet-mexyl|(RS)-1-Methylhexyl (5-chloroquinolin-8-yloxy) acetate|1-methylhexyl [(5-chloroquinolin-8-yl)oxy]acetate|1-Methylhexyl 2-[(5-chloroquinolin-8-yl)oxy]acetate|1-methylhexyl-(5-chloroquinolin-8-yloxy)acetate|619-447-3|920-765-2|Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, 1-methylhexyl ester|Acetic acid, {(5-chloro-8-quinolinyl)oxy}-, 1-methylhexyl ester|Acetic acid, 2- [(5- chloro- 8- quinolinyl) oxy] - , 1- methylhexyl ester|CGA 185072|Cloquintocet 1-methylhexyl ester|EC No.: 619-447-3|EC No.: 920-765-2|Formulation 24 (Cloquintocet-mexyl)|Heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate|Pinoxaden|UNII-99W15EH2M3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041794
ERPathway2016 ERPathway2016_1797 Cloquintocet-mexyl 99607-70-2 DTXSID3041794 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCC(C)OC(=O)COC1=CC=C(Cl)C2=CC=CN=C12 Cloquintocet-mexyl 99607-70-2|Cloquintocet-mexyl|(RS)-1-Methylhexyl (5-chloroquinolin-8-yloxy) acetate|1-methylhexyl [(5-chloroquinolin-8-yl)oxy]acetate|1-Methylhexyl 2-[(5-chloroquinolin-8-yl)oxy]acetate|1-methylhexyl-(5-chloroquinolin-8-yloxy)acetate|619-447-3|920-765-2|Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, 1-methylhexyl ester|Acetic acid, {(5-chloro-8-quinolinyl)oxy}-, 1-methylhexyl ester|Acetic acid, 2- [(5- chloro- 8- quinolinyl) oxy] - , 1- methylhexyl ester|CGA 185072|Cloquintocet 1-methylhexyl ester|EC No.: 619-447-3|EC No.: 920-765-2|Formulation 24 (Cloquintocet-mexyl)|Heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate|Pinoxaden|UNII-99W15EH2M3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041794
ARPathway2016 ARPathway2016_38 Clorophene 120-32-1 DTXSID5020154 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 19.60639693 uM OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1 Clorophene 120-32-1|Clorophene|2-BENZYL-4-CHLOR-PHENOL|2-Benzyl-4-chlorophenol|2-Hydroxy-5-chlorodiphenylmethane|4-06-00-04636|4-Chloro-2-(phenylmethyl)phenol|4-CHLORO-2-BENZYLPHENOL|4-Chloro-alpha-phenyl-o-cresol|4-Chloro-alpha-phenyl-ortho-cresol|4-Chloro-a-phenyl-o-cresol|5-Chloro-2-hydroxydiphenylmethane|5-CHLORO-2-HYDROXYDIPHENYLMETHANE:(CHLOROPHENE)|Benzylchlorophenol|Bio-Clave|BRN 1959194|Caswell No. 083|Chlorophene|Clorofen|Clorofene|clorofeno|Clorofenum|EINECS 204-385-8|EPA Pesticide Chemical Code 062201|Ketolin H|Ketolin-H|NCI-C61201|Neosabenyl|Nipacide BCP|Nipacide BCP 50|NSC 59989|O-BENZYL-P-CHLOROPHENOL|o-Cresol, 4-chloro-a-phenyl-|ochlorophenol|Orthobenzyl-p-chlorophenol|Orthobenzylparachlorophenol|p-Chloro-o-benzylphenol|PHENOL, 2-BENZYL-4-CHLORO-|Phenol, 4-chloro-2-(phenylmethyl)-|Preventol BP|Santophen|Santophen 1|Santophen 1 flake|Santophen I|Santophen I germicide|Septiphene|UNII-7560BB0BO3|144246-47-9|8013-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020154 https://doi.org/10.22427/NTP-DATA-DTXSID5020154
ARPathway2016 ARPathway2016_38 Clorophene 120-32-1 DTXSID5020154 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 18.20114586 uM OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1 Clorophene 120-32-1|Clorophene|2-BENZYL-4-CHLOR-PHENOL|2-Benzyl-4-chlorophenol|2-Hydroxy-5-chlorodiphenylmethane|4-06-00-04636|4-Chloro-2-(phenylmethyl)phenol|4-CHLORO-2-BENZYLPHENOL|4-Chloro-alpha-phenyl-o-cresol|4-Chloro-alpha-phenyl-ortho-cresol|4-Chloro-a-phenyl-o-cresol|5-Chloro-2-hydroxydiphenylmethane|5-CHLORO-2-HYDROXYDIPHENYLMETHANE:(CHLOROPHENE)|Benzylchlorophenol|Bio-Clave|BRN 1959194|Caswell No. 083|Chlorophene|Clorofen|Clorofene|clorofeno|Clorofenum|EINECS 204-385-8|EPA Pesticide Chemical Code 062201|Ketolin H|Ketolin-H|NCI-C61201|Neosabenyl|Nipacide BCP|Nipacide BCP 50|NSC 59989|O-BENZYL-P-CHLOROPHENOL|o-Cresol, 4-chloro-a-phenyl-|ochlorophenol|Orthobenzyl-p-chlorophenol|Orthobenzylparachlorophenol|p-Chloro-o-benzylphenol|PHENOL, 2-BENZYL-4-CHLORO-|Phenol, 4-chloro-2-(phenylmethyl)-|Preventol BP|Santophen|Santophen 1|Santophen 1 flake|Santophen I|Santophen I germicide|Septiphene|UNII-7560BB0BO3|144246-47-9|8013-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020154 https://doi.org/10.22427/NTP-DATA-DTXSID5020154
ARPathway2016 ARPathway2016_38 Clorophene 120-32-1 DTXSID5020154 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.392 Unitless OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1 Clorophene 120-32-1|Clorophene|2-BENZYL-4-CHLOR-PHENOL|2-Benzyl-4-chlorophenol|2-Hydroxy-5-chlorodiphenylmethane|4-06-00-04636|4-Chloro-2-(phenylmethyl)phenol|4-CHLORO-2-BENZYLPHENOL|4-Chloro-alpha-phenyl-o-cresol|4-Chloro-alpha-phenyl-ortho-cresol|4-Chloro-a-phenyl-o-cresol|5-Chloro-2-hydroxydiphenylmethane|5-CHLORO-2-HYDROXYDIPHENYLMETHANE:(CHLOROPHENE)|Benzylchlorophenol|Bio-Clave|BRN 1959194|Caswell No. 083|Chlorophene|Clorofen|Clorofene|clorofeno|Clorofenum|EINECS 204-385-8|EPA Pesticide Chemical Code 062201|Ketolin H|Ketolin-H|NCI-C61201|Neosabenyl|Nipacide BCP|Nipacide BCP 50|NSC 59989|O-BENZYL-P-CHLOROPHENOL|o-Cresol, 4-chloro-a-phenyl-|ochlorophenol|Orthobenzyl-p-chlorophenol|Orthobenzylparachlorophenol|p-Chloro-o-benzylphenol|PHENOL, 2-BENZYL-4-CHLORO-|Phenol, 4-chloro-2-(phenylmethyl)-|Preventol BP|Santophen|Santophen 1|Santophen 1 flake|Santophen I|Santophen I germicide|Septiphene|UNII-7560BB0BO3|144246-47-9|8013-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020154 https://doi.org/10.22427/NTP-DATA-DTXSID5020154
ARPathway2016 ARPathway2016_38 Clorophene 120-32-1 DTXSID5020154 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1 Clorophene 120-32-1|Clorophene|2-BENZYL-4-CHLOR-PHENOL|2-Benzyl-4-chlorophenol|2-Hydroxy-5-chlorodiphenylmethane|4-06-00-04636|4-Chloro-2-(phenylmethyl)phenol|4-CHLORO-2-BENZYLPHENOL|4-Chloro-alpha-phenyl-o-cresol|4-Chloro-alpha-phenyl-ortho-cresol|4-Chloro-a-phenyl-o-cresol|5-Chloro-2-hydroxydiphenylmethane|5-CHLORO-2-HYDROXYDIPHENYLMETHANE:(CHLOROPHENE)|Benzylchlorophenol|Bio-Clave|BRN 1959194|Caswell No. 083|Chlorophene|Clorofen|Clorofene|clorofeno|Clorofenum|EINECS 204-385-8|EPA Pesticide Chemical Code 062201|Ketolin H|Ketolin-H|NCI-C61201|Neosabenyl|Nipacide BCP|Nipacide BCP 50|NSC 59989|O-BENZYL-P-CHLOROPHENOL|o-Cresol, 4-chloro-a-phenyl-|ochlorophenol|Orthobenzyl-p-chlorophenol|Orthobenzylparachlorophenol|p-Chloro-o-benzylphenol|PHENOL, 2-BENZYL-4-CHLORO-|Phenol, 4-chloro-2-(phenylmethyl)-|Preventol BP|Santophen|Santophen 1|Santophen 1 flake|Santophen I|Santophen I germicide|Septiphene|UNII-7560BB0BO3|144246-47-9|8013-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020154 https://doi.org/10.22427/NTP-DATA-DTXSID5020154
ARPathway2016 ARPathway2016_38 Clorophene 120-32-1 DTXSID5020154 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1 Clorophene 120-32-1|Clorophene|2-BENZYL-4-CHLOR-PHENOL|2-Benzyl-4-chlorophenol|2-Hydroxy-5-chlorodiphenylmethane|4-06-00-04636|4-Chloro-2-(phenylmethyl)phenol|4-CHLORO-2-BENZYLPHENOL|4-Chloro-alpha-phenyl-o-cresol|4-Chloro-alpha-phenyl-ortho-cresol|4-Chloro-a-phenyl-o-cresol|5-Chloro-2-hydroxydiphenylmethane|5-CHLORO-2-HYDROXYDIPHENYLMETHANE:(CHLOROPHENE)|Benzylchlorophenol|Bio-Clave|BRN 1959194|Caswell No. 083|Chlorophene|Clorofen|Clorofene|clorofeno|Clorofenum|EINECS 204-385-8|EPA Pesticide Chemical Code 062201|Ketolin H|Ketolin-H|NCI-C61201|Neosabenyl|Nipacide BCP|Nipacide BCP 50|NSC 59989|O-BENZYL-P-CHLOROPHENOL|o-Cresol, 4-chloro-a-phenyl-|ochlorophenol|Orthobenzyl-p-chlorophenol|Orthobenzylparachlorophenol|p-Chloro-o-benzylphenol|PHENOL, 2-BENZYL-4-CHLORO-|Phenol, 4-chloro-2-(phenylmethyl)-|Preventol BP|Santophen|Santophen 1|Santophen 1 flake|Santophen I|Santophen I germicide|Septiphene|UNII-7560BB0BO3|144246-47-9|8013-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020154 https://doi.org/10.22427/NTP-DATA-DTXSID5020154
ARPathway2016 ARPathway2016_38 Clorophene 120-32-1 DTXSID5020154 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1 Clorophene 120-32-1|Clorophene|2-BENZYL-4-CHLOR-PHENOL|2-Benzyl-4-chlorophenol|2-Hydroxy-5-chlorodiphenylmethane|4-06-00-04636|4-Chloro-2-(phenylmethyl)phenol|4-CHLORO-2-BENZYLPHENOL|4-Chloro-alpha-phenyl-o-cresol|4-Chloro-alpha-phenyl-ortho-cresol|4-Chloro-a-phenyl-o-cresol|5-Chloro-2-hydroxydiphenylmethane|5-CHLORO-2-HYDROXYDIPHENYLMETHANE:(CHLOROPHENE)|Benzylchlorophenol|Bio-Clave|BRN 1959194|Caswell No. 083|Chlorophene|Clorofen|Clorofene|clorofeno|Clorofenum|EINECS 204-385-8|EPA Pesticide Chemical Code 062201|Ketolin H|Ketolin-H|NCI-C61201|Neosabenyl|Nipacide BCP|Nipacide BCP 50|NSC 59989|O-BENZYL-P-CHLOROPHENOL|o-Cresol, 4-chloro-a-phenyl-|ochlorophenol|Orthobenzyl-p-chlorophenol|Orthobenzylparachlorophenol|p-Chloro-o-benzylphenol|PHENOL, 2-BENZYL-4-CHLORO-|Phenol, 4-chloro-2-(phenylmethyl)-|Preventol BP|Santophen|Santophen 1|Santophen 1 flake|Santophen I|Santophen I germicide|Septiphene|UNII-7560BB0BO3|144246-47-9|8013-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020154 https://doi.org/10.22427/NTP-DATA-DTXSID5020154
ERPathway2016 ERPathway2016_299 Clorophene 120-32-1 DTXSID5020154 ER Pathway Model, Antagonist AC50 13.891013324137 uM OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1 Clorophene 120-32-1|Clorophene|2-BENZYL-4-CHLOR-PHENOL|2-Benzyl-4-chlorophenol|2-Hydroxy-5-chlorodiphenylmethane|4-06-00-04636|4-Chloro-2-(phenylmethyl)phenol|4-CHLORO-2-BENZYLPHENOL|4-Chloro-alpha-phenyl-o-cresol|4-Chloro-alpha-phenyl-ortho-cresol|4-Chloro-a-phenyl-o-cresol|5-Chloro-2-hydroxydiphenylmethane|5-CHLORO-2-HYDROXYDIPHENYLMETHANE:(CHLOROPHENE)|Benzylchlorophenol|Bio-Clave|BRN 1959194|Caswell No. 083|Chlorophene|Clorofen|Clorofene|clorofeno|Clorofenum|EINECS 204-385-8|EPA Pesticide Chemical Code 062201|Ketolin H|Ketolin-H|NCI-C61201|Neosabenyl|Nipacide BCP|Nipacide BCP 50|NSC 59989|O-BENZYL-P-CHLOROPHENOL|o-Cresol, 4-chloro-a-phenyl-|ochlorophenol|Orthobenzyl-p-chlorophenol|Orthobenzylparachlorophenol|p-Chloro-o-benzylphenol|PHENOL, 2-BENZYL-4-CHLORO-|Phenol, 4-chloro-2-(phenylmethyl)-|Preventol BP|Santophen|Santophen 1|Santophen 1 flake|Santophen I|Santophen I germicide|Septiphene|UNII-7560BB0BO3|144246-47-9|8013-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020154 https://doi.org/10.22427/NTP-DATA-DTXSID5020154
ERPathway2016 ERPathway2016_299 Clorophene 120-32-1 DTXSID5020154 ER Pathway Model, Antagonist ACC 8.99756895548529 uM OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1 Clorophene 120-32-1|Clorophene|2-BENZYL-4-CHLOR-PHENOL|2-Benzyl-4-chlorophenol|2-Hydroxy-5-chlorodiphenylmethane|4-06-00-04636|4-Chloro-2-(phenylmethyl)phenol|4-CHLORO-2-BENZYLPHENOL|4-Chloro-alpha-phenyl-o-cresol|4-Chloro-alpha-phenyl-ortho-cresol|4-Chloro-a-phenyl-o-cresol|5-Chloro-2-hydroxydiphenylmethane|5-CHLORO-2-HYDROXYDIPHENYLMETHANE:(CHLOROPHENE)|Benzylchlorophenol|Bio-Clave|BRN 1959194|Caswell No. 083|Chlorophene|Clorofen|Clorofene|clorofeno|Clorofenum|EINECS 204-385-8|EPA Pesticide Chemical Code 062201|Ketolin H|Ketolin-H|NCI-C61201|Neosabenyl|Nipacide BCP|Nipacide BCP 50|NSC 59989|O-BENZYL-P-CHLOROPHENOL|o-Cresol, 4-chloro-a-phenyl-|ochlorophenol|Orthobenzyl-p-chlorophenol|Orthobenzylparachlorophenol|p-Chloro-o-benzylphenol|PHENOL, 2-BENZYL-4-CHLORO-|Phenol, 4-chloro-2-(phenylmethyl)-|Preventol BP|Santophen|Santophen 1|Santophen 1 flake|Santophen I|Santophen I germicide|Septiphene|UNII-7560BB0BO3|144246-47-9|8013-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020154 https://doi.org/10.22427/NTP-DATA-DTXSID5020154
ERPathway2016 ERPathway2016_299 Clorophene 120-32-1 DTXSID5020154 ER Pathway Model, Agonist Model Score 0.0353 Unitless OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1 Clorophene 120-32-1|Clorophene|2-BENZYL-4-CHLOR-PHENOL|2-Benzyl-4-chlorophenol|2-Hydroxy-5-chlorodiphenylmethane|4-06-00-04636|4-Chloro-2-(phenylmethyl)phenol|4-CHLORO-2-BENZYLPHENOL|4-Chloro-alpha-phenyl-o-cresol|4-Chloro-alpha-phenyl-ortho-cresol|4-Chloro-a-phenyl-o-cresol|5-Chloro-2-hydroxydiphenylmethane|5-CHLORO-2-HYDROXYDIPHENYLMETHANE:(CHLOROPHENE)|Benzylchlorophenol|Bio-Clave|BRN 1959194|Caswell No. 083|Chlorophene|Clorofen|Clorofene|clorofeno|Clorofenum|EINECS 204-385-8|EPA Pesticide Chemical Code 062201|Ketolin H|Ketolin-H|NCI-C61201|Neosabenyl|Nipacide BCP|Nipacide BCP 50|NSC 59989|O-BENZYL-P-CHLOROPHENOL|o-Cresol, 4-chloro-a-phenyl-|ochlorophenol|Orthobenzyl-p-chlorophenol|Orthobenzylparachlorophenol|p-Chloro-o-benzylphenol|PHENOL, 2-BENZYL-4-CHLORO-|Phenol, 4-chloro-2-(phenylmethyl)-|Preventol BP|Santophen|Santophen 1|Santophen 1 flake|Santophen I|Santophen I germicide|Septiphene|UNII-7560BB0BO3|144246-47-9|8013-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020154 https://doi.org/10.22427/NTP-DATA-DTXSID5020154
ERPathway2016 ERPathway2016_299 Clorophene 120-32-1 DTXSID5020154 ER Pathway Model, Antagonist Model Score 0.018 Unitless OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1 Clorophene 120-32-1|Clorophene|2-BENZYL-4-CHLOR-PHENOL|2-Benzyl-4-chlorophenol|2-Hydroxy-5-chlorodiphenylmethane|4-06-00-04636|4-Chloro-2-(phenylmethyl)phenol|4-CHLORO-2-BENZYLPHENOL|4-Chloro-alpha-phenyl-o-cresol|4-Chloro-alpha-phenyl-ortho-cresol|4-Chloro-a-phenyl-o-cresol|5-Chloro-2-hydroxydiphenylmethane|5-CHLORO-2-HYDROXYDIPHENYLMETHANE:(CHLOROPHENE)|Benzylchlorophenol|Bio-Clave|BRN 1959194|Caswell No. 083|Chlorophene|Clorofen|Clorofene|clorofeno|Clorofenum|EINECS 204-385-8|EPA Pesticide Chemical Code 062201|Ketolin H|Ketolin-H|NCI-C61201|Neosabenyl|Nipacide BCP|Nipacide BCP 50|NSC 59989|O-BENZYL-P-CHLOROPHENOL|o-Cresol, 4-chloro-a-phenyl-|ochlorophenol|Orthobenzyl-p-chlorophenol|Orthobenzylparachlorophenol|p-Chloro-o-benzylphenol|PHENOL, 2-BENZYL-4-CHLORO-|Phenol, 4-chloro-2-(phenylmethyl)-|Preventol BP|Santophen|Santophen 1|Santophen 1 flake|Santophen I|Santophen I germicide|Septiphene|UNII-7560BB0BO3|144246-47-9|8013-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020154 https://doi.org/10.22427/NTP-DATA-DTXSID5020154
ERPathway2016 ERPathway2016_299 Clorophene 120-32-1 DTXSID5020154 ER Pathway Model, Agonist Call Inactive Unitless OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1 Clorophene 120-32-1|Clorophene|2-BENZYL-4-CHLOR-PHENOL|2-Benzyl-4-chlorophenol|2-Hydroxy-5-chlorodiphenylmethane|4-06-00-04636|4-Chloro-2-(phenylmethyl)phenol|4-CHLORO-2-BENZYLPHENOL|4-Chloro-alpha-phenyl-o-cresol|4-Chloro-alpha-phenyl-ortho-cresol|4-Chloro-a-phenyl-o-cresol|5-Chloro-2-hydroxydiphenylmethane|5-CHLORO-2-HYDROXYDIPHENYLMETHANE:(CHLOROPHENE)|Benzylchlorophenol|Bio-Clave|BRN 1959194|Caswell No. 083|Chlorophene|Clorofen|Clorofene|clorofeno|Clorofenum|EINECS 204-385-8|EPA Pesticide Chemical Code 062201|Ketolin H|Ketolin-H|NCI-C61201|Neosabenyl|Nipacide BCP|Nipacide BCP 50|NSC 59989|O-BENZYL-P-CHLOROPHENOL|o-Cresol, 4-chloro-a-phenyl-|ochlorophenol|Orthobenzyl-p-chlorophenol|Orthobenzylparachlorophenol|p-Chloro-o-benzylphenol|PHENOL, 2-BENZYL-4-CHLORO-|Phenol, 4-chloro-2-(phenylmethyl)-|Preventol BP|Santophen|Santophen 1|Santophen 1 flake|Santophen I|Santophen I germicide|Septiphene|UNII-7560BB0BO3|144246-47-9|8013-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020154 https://doi.org/10.22427/NTP-DATA-DTXSID5020154
ERPathway2016 ERPathway2016_299 Clorophene 120-32-1 DTXSID5020154 ER Pathway Model, Antagonist Call Active Unitless OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1 Clorophene 120-32-1|Clorophene|2-BENZYL-4-CHLOR-PHENOL|2-Benzyl-4-chlorophenol|2-Hydroxy-5-chlorodiphenylmethane|4-06-00-04636|4-Chloro-2-(phenylmethyl)phenol|4-CHLORO-2-BENZYLPHENOL|4-Chloro-alpha-phenyl-o-cresol|4-Chloro-alpha-phenyl-ortho-cresol|4-Chloro-a-phenyl-o-cresol|5-Chloro-2-hydroxydiphenylmethane|5-CHLORO-2-HYDROXYDIPHENYLMETHANE:(CHLOROPHENE)|Benzylchlorophenol|Bio-Clave|BRN 1959194|Caswell No. 083|Chlorophene|Clorofen|Clorofene|clorofeno|Clorofenum|EINECS 204-385-8|EPA Pesticide Chemical Code 062201|Ketolin H|Ketolin-H|NCI-C61201|Neosabenyl|Nipacide BCP|Nipacide BCP 50|NSC 59989|O-BENZYL-P-CHLOROPHENOL|o-Cresol, 4-chloro-a-phenyl-|ochlorophenol|Orthobenzyl-p-chlorophenol|Orthobenzylparachlorophenol|p-Chloro-o-benzylphenol|PHENOL, 2-BENZYL-4-CHLORO-|Phenol, 4-chloro-2-(phenylmethyl)-|Preventol BP|Santophen|Santophen 1|Santophen 1 flake|Santophen I|Santophen I germicide|Septiphene|UNII-7560BB0BO3|144246-47-9|8013-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020154 https://doi.org/10.22427/NTP-DATA-DTXSID5020154
ARPathway2016 ARPathway2016_991 Clothianidin 210880-92-5 DTXSID2034465 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(NCC1=CN=C(Cl)S1)=N/[N+]([O-])=O Clothianidin 210880-92-5|Clothianidin|(E)-1-(2-Chloro-1,3-thiazol-5-yl methyl)-3-methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3- methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazole-5-ylmethyl)-3-methyl-2-nitroguanidine|(E)-clothianidin|[C(E)]-N-[(2-Chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitroguanidine|1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine|Apacz|Arena|Belay|Celero|CGA 322704|CLO|Clutch|Clutch (insecticide)|Dantop|Dantotsu|Dantotsu 16WSG|Fullswing|Guanidine, N-(2-chloro-5-thiazolyl)methyl-N'-methyl-N''-nitro-, (E)-|Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-, [C(E)]-|Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-, [C(E)]-|NipsIt|NipsIt Inside|Nipsit Inside Insecticide|Poncho|Poncho 250|Poncho 60 FS|Poncho 600|Takeloc CLMN 10|Takeloc MC 50 Super|Takeloc MC 50E|Takelock MC 50 super|TI 435|TI-435|Titan ST|TM 44401|UNII-2V9906ABKQ|V 10170|205510-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034465
ARPathway2016 ARPathway2016_991 Clothianidin 210880-92-5 DTXSID2034465 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CNC(NCC1=CN=C(Cl)S1)=N/[N+]([O-])=O Clothianidin 210880-92-5|Clothianidin|(E)-1-(2-Chloro-1,3-thiazol-5-yl methyl)-3-methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3- methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazole-5-ylmethyl)-3-methyl-2-nitroguanidine|(E)-clothianidin|[C(E)]-N-[(2-Chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitroguanidine|1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine|Apacz|Arena|Belay|Celero|CGA 322704|CLO|Clutch|Clutch (insecticide)|Dantop|Dantotsu|Dantotsu 16WSG|Fullswing|Guanidine, N-(2-chloro-5-thiazolyl)methyl-N'-methyl-N''-nitro-, (E)-|Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-, [C(E)]-|Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-, [C(E)]-|NipsIt|NipsIt Inside|Nipsit Inside Insecticide|Poncho|Poncho 250|Poncho 60 FS|Poncho 600|Takeloc CLMN 10|Takeloc MC 50 Super|Takeloc MC 50E|Takelock MC 50 super|TI 435|TI-435|Titan ST|TM 44401|UNII-2V9906ABKQ|V 10170|205510-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034465
ARPathway2016 ARPathway2016_991 Clothianidin 210880-92-5 DTXSID2034465 0.0 AR Pathway Model, Agonist Call Inactive Unitless CNC(NCC1=CN=C(Cl)S1)=N/[N+]([O-])=O Clothianidin 210880-92-5|Clothianidin|(E)-1-(2-Chloro-1,3-thiazol-5-yl methyl)-3-methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3- methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazole-5-ylmethyl)-3-methyl-2-nitroguanidine|(E)-clothianidin|[C(E)]-N-[(2-Chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitroguanidine|1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine|Apacz|Arena|Belay|Celero|CGA 322704|CLO|Clutch|Clutch (insecticide)|Dantop|Dantotsu|Dantotsu 16WSG|Fullswing|Guanidine, N-(2-chloro-5-thiazolyl)methyl-N'-methyl-N''-nitro-, (E)-|Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-, [C(E)]-|Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-, [C(E)]-|NipsIt|NipsIt Inside|Nipsit Inside Insecticide|Poncho|Poncho 250|Poncho 60 FS|Poncho 600|Takeloc CLMN 10|Takeloc MC 50 Super|Takeloc MC 50E|Takelock MC 50 super|TI 435|TI-435|Titan ST|TM 44401|UNII-2V9906ABKQ|V 10170|205510-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034465
ARPathway2016 ARPathway2016_991 Clothianidin 210880-92-5 DTXSID2034465 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CNC(NCC1=CN=C(Cl)S1)=N/[N+]([O-])=O Clothianidin 210880-92-5|Clothianidin|(E)-1-(2-Chloro-1,3-thiazol-5-yl methyl)-3-methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3- methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazole-5-ylmethyl)-3-methyl-2-nitroguanidine|(E)-clothianidin|[C(E)]-N-[(2-Chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitroguanidine|1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine|Apacz|Arena|Belay|Celero|CGA 322704|CLO|Clutch|Clutch (insecticide)|Dantop|Dantotsu|Dantotsu 16WSG|Fullswing|Guanidine, N-(2-chloro-5-thiazolyl)methyl-N'-methyl-N''-nitro-, (E)-|Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-, [C(E)]-|Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-, [C(E)]-|NipsIt|NipsIt Inside|Nipsit Inside Insecticide|Poncho|Poncho 250|Poncho 60 FS|Poncho 600|Takeloc CLMN 10|Takeloc MC 50 Super|Takeloc MC 50E|Takelock MC 50 super|TI 435|TI-435|Titan ST|TM 44401|UNII-2V9906ABKQ|V 10170|205510-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034465
ERPathway2016 ERPathway2016_1376 Clothianidin 210880-92-5 DTXSID2034465 ER Pathway Model, Agonist Model Score 0 Unitless CNC(NCC1=CN=C(Cl)S1)=N/[N+]([O-])=O Clothianidin 210880-92-5|Clothianidin|(E)-1-(2-Chloro-1,3-thiazol-5-yl methyl)-3-methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3- methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazole-5-ylmethyl)-3-methyl-2-nitroguanidine|(E)-clothianidin|[C(E)]-N-[(2-Chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitroguanidine|1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine|Apacz|Arena|Belay|Celero|CGA 322704|CLO|Clutch|Clutch (insecticide)|Dantop|Dantotsu|Dantotsu 16WSG|Fullswing|Guanidine, N-(2-chloro-5-thiazolyl)methyl-N'-methyl-N''-nitro-, (E)-|Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-, [C(E)]-|Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-, [C(E)]-|NipsIt|NipsIt Inside|Nipsit Inside Insecticide|Poncho|Poncho 250|Poncho 60 FS|Poncho 600|Takeloc CLMN 10|Takeloc MC 50 Super|Takeloc MC 50E|Takelock MC 50 super|TI 435|TI-435|Titan ST|TM 44401|UNII-2V9906ABKQ|V 10170|205510-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034465
ERPathway2016 ERPathway2016_1376 Clothianidin 210880-92-5 DTXSID2034465 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(NCC1=CN=C(Cl)S1)=N/[N+]([O-])=O Clothianidin 210880-92-5|Clothianidin|(E)-1-(2-Chloro-1,3-thiazol-5-yl methyl)-3-methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3- methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazole-5-ylmethyl)-3-methyl-2-nitroguanidine|(E)-clothianidin|[C(E)]-N-[(2-Chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitroguanidine|1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine|Apacz|Arena|Belay|Celero|CGA 322704|CLO|Clutch|Clutch (insecticide)|Dantop|Dantotsu|Dantotsu 16WSG|Fullswing|Guanidine, N-(2-chloro-5-thiazolyl)methyl-N'-methyl-N''-nitro-, (E)-|Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-, [C(E)]-|Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-, [C(E)]-|NipsIt|NipsIt Inside|Nipsit Inside Insecticide|Poncho|Poncho 250|Poncho 60 FS|Poncho 600|Takeloc CLMN 10|Takeloc MC 50 Super|Takeloc MC 50E|Takelock MC 50 super|TI 435|TI-435|Titan ST|TM 44401|UNII-2V9906ABKQ|V 10170|205510-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034465
ERPathway2016 ERPathway2016_1376 Clothianidin 210880-92-5 DTXSID2034465 ER Pathway Model, Agonist Call Inactive Unitless CNC(NCC1=CN=C(Cl)S1)=N/[N+]([O-])=O Clothianidin 210880-92-5|Clothianidin|(E)-1-(2-Chloro-1,3-thiazol-5-yl methyl)-3-methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3- methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazole-5-ylmethyl)-3-methyl-2-nitroguanidine|(E)-clothianidin|[C(E)]-N-[(2-Chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitroguanidine|1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine|Apacz|Arena|Belay|Celero|CGA 322704|CLO|Clutch|Clutch (insecticide)|Dantop|Dantotsu|Dantotsu 16WSG|Fullswing|Guanidine, N-(2-chloro-5-thiazolyl)methyl-N'-methyl-N''-nitro-, (E)-|Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-, [C(E)]-|Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-, [C(E)]-|NipsIt|NipsIt Inside|Nipsit Inside Insecticide|Poncho|Poncho 250|Poncho 60 FS|Poncho 600|Takeloc CLMN 10|Takeloc MC 50 Super|Takeloc MC 50E|Takelock MC 50 super|TI 435|TI-435|Titan ST|TM 44401|UNII-2V9906ABKQ|V 10170|205510-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034465
ERPathway2016 ERPathway2016_1376 Clothianidin 210880-92-5 DTXSID2034465 ER Pathway Model, Antagonist Call Inactive Unitless CNC(NCC1=CN=C(Cl)S1)=N/[N+]([O-])=O Clothianidin 210880-92-5|Clothianidin|(E)-1-(2-Chloro-1,3-thiazol-5-yl methyl)-3-methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3- methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine|(E)-1-(2-Chloro-1,3-thiazole-5-ylmethyl)-3-methyl-2-nitroguanidine|(E)-clothianidin|[C(E)]-N-[(2-Chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitroguanidine|1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine|Apacz|Arena|Belay|Celero|CGA 322704|CLO|Clutch|Clutch (insecticide)|Dantop|Dantotsu|Dantotsu 16WSG|Fullswing|Guanidine, N-(2-chloro-5-thiazolyl)methyl-N'-methyl-N''-nitro-, (E)-|Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-, [C(E)]-|Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-, [C(E)]-|NipsIt|NipsIt Inside|Nipsit Inside Insecticide|Poncho|Poncho 250|Poncho 60 FS|Poncho 600|Takeloc CLMN 10|Takeloc MC 50 Super|Takeloc MC 50E|Takelock MC 50 super|TI 435|TI-435|Titan ST|TM 44401|UNII-2V9906ABKQ|V 10170|205510-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034465
ARPathway2016 ARPathway2016_122 Clotrimazole 23593-75-1 DTXSID7029871 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist AC50 31.8830069301971 uM ClC1=C(C=CC=C1)C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Clotrimazole 23593-75-1|Clotrimazole|(2-Chlorophenyl)diphenyl-1-imidazolylmethane|(Chlorotrityl)imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole (9CI)|1-((o-Chloro-phenyl)diphenylmethyl)imidazole|1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole|1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole|1-(o-Chlorophenyldiphenylmethyl)imidazole|1-(o-Chlorotrityl)imidazole|1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole|1H-Imidazole, 1-((2-chlorophenyl)diphenylmethyl)-|1H-Imidazole, 1-[(2-chlorophenyl)diphenylmethyl]-|5-23-04-00291|Bis-fenil-(2-clorofenil)-1-imidazolil-metano|Bis-phenyl-(2-chlorophenyl)(1-imidazoyl)methane|Bisphenyl-(2-chlorphenyl)-1-imidazolyl-methan|BRN 0622318|Canesten|Canestene|Canifug|Chlotrimazole|Clomatin|Clotrimazol|Clotrimazolum|Cutistad|Desamix F|Diphenyl-(2-chlorophenyl)-1-imidazolylmethane|Diphenyl(2-chlorophenyl)(1-imidazolyl)methane|EINECS 245-764-8|Empecid|Esparol|Femcare|Gino-Lotremine|Gyne lotrimin|Gyne-Lotrimin|Gyne-lotrimin 3|Gyne-lotrimin 3 Combination Pack|Gyne-Lotri|117829-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029871
ARPathway2016 ARPathway2016_122 Clotrimazole 23593-75-1 DTXSID7029871 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist ACC 30.2527130880446 uM ClC1=C(C=CC=C1)C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Clotrimazole 23593-75-1|Clotrimazole|(2-Chlorophenyl)diphenyl-1-imidazolylmethane|(Chlorotrityl)imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole (9CI)|1-((o-Chloro-phenyl)diphenylmethyl)imidazole|1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole|1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole|1-(o-Chlorophenyldiphenylmethyl)imidazole|1-(o-Chlorotrityl)imidazole|1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole|1H-Imidazole, 1-((2-chlorophenyl)diphenylmethyl)-|1H-Imidazole, 1-[(2-chlorophenyl)diphenylmethyl]-|5-23-04-00291|Bis-fenil-(2-clorofenil)-1-imidazolil-metano|Bis-phenyl-(2-chlorophenyl)(1-imidazoyl)methane|Bisphenyl-(2-chlorphenyl)-1-imidazolyl-methan|BRN 0622318|Canesten|Canestene|Canifug|Chlotrimazole|Clomatin|Clotrimazol|Clotrimazolum|Cutistad|Desamix F|Diphenyl-(2-chlorophenyl)-1-imidazolylmethane|Diphenyl(2-chlorophenyl)(1-imidazolyl)methane|EINECS 245-764-8|Empecid|Esparol|Femcare|Gino-Lotremine|Gyne lotrimin|Gyne-Lotrimin|Gyne-lotrimin 3|Gyne-lotrimin 3 Combination Pack|Gyne-Lotri|117829-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029871
ARPathway2016 ARPathway2016_122 Clotrimazole 23593-75-1 DTXSID7029871 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0715 Unitless ClC1=C(C=CC=C1)C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Clotrimazole 23593-75-1|Clotrimazole|(2-Chlorophenyl)diphenyl-1-imidazolylmethane|(Chlorotrityl)imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole (9CI)|1-((o-Chloro-phenyl)diphenylmethyl)imidazole|1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole|1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole|1-(o-Chlorophenyldiphenylmethyl)imidazole|1-(o-Chlorotrityl)imidazole|1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole|1H-Imidazole, 1-((2-chlorophenyl)diphenylmethyl)-|1H-Imidazole, 1-[(2-chlorophenyl)diphenylmethyl]-|5-23-04-00291|Bis-fenil-(2-clorofenil)-1-imidazolil-metano|Bis-phenyl-(2-chlorophenyl)(1-imidazoyl)methane|Bisphenyl-(2-chlorphenyl)-1-imidazolyl-methan|BRN 0622318|Canesten|Canestene|Canifug|Chlotrimazole|Clomatin|Clotrimazol|Clotrimazolum|Cutistad|Desamix F|Diphenyl-(2-chlorophenyl)-1-imidazolylmethane|Diphenyl(2-chlorophenyl)(1-imidazolyl)methane|EINECS 245-764-8|Empecid|Esparol|Femcare|Gino-Lotremine|Gyne lotrimin|Gyne-Lotrimin|Gyne-lotrimin 3|Gyne-lotrimin 3 Combination Pack|Gyne-Lotri|117829-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029871
ARPathway2016 ARPathway2016_122 Clotrimazole 23593-75-1 DTXSID7029871 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC1=C(C=CC=C1)C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Clotrimazole 23593-75-1|Clotrimazole|(2-Chlorophenyl)diphenyl-1-imidazolylmethane|(Chlorotrityl)imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole (9CI)|1-((o-Chloro-phenyl)diphenylmethyl)imidazole|1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole|1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole|1-(o-Chlorophenyldiphenylmethyl)imidazole|1-(o-Chlorotrityl)imidazole|1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole|1H-Imidazole, 1-((2-chlorophenyl)diphenylmethyl)-|1H-Imidazole, 1-[(2-chlorophenyl)diphenylmethyl]-|5-23-04-00291|Bis-fenil-(2-clorofenil)-1-imidazolil-metano|Bis-phenyl-(2-chlorophenyl)(1-imidazoyl)methane|Bisphenyl-(2-chlorphenyl)-1-imidazolyl-methan|BRN 0622318|Canesten|Canestene|Canifug|Chlotrimazole|Clomatin|Clotrimazol|Clotrimazolum|Cutistad|Desamix F|Diphenyl-(2-chlorophenyl)-1-imidazolylmethane|Diphenyl(2-chlorophenyl)(1-imidazolyl)methane|EINECS 245-764-8|Empecid|Esparol|Femcare|Gino-Lotremine|Gyne lotrimin|Gyne-Lotrimin|Gyne-lotrimin 3|Gyne-lotrimin 3 Combination Pack|Gyne-Lotri|117829-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029871
ARPathway2016 ARPathway2016_122 Clotrimazole 23593-75-1 DTXSID7029871 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC1=C(C=CC=C1)C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Clotrimazole 23593-75-1|Clotrimazole|(2-Chlorophenyl)diphenyl-1-imidazolylmethane|(Chlorotrityl)imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole (9CI)|1-((o-Chloro-phenyl)diphenylmethyl)imidazole|1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole|1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole|1-(o-Chlorophenyldiphenylmethyl)imidazole|1-(o-Chlorotrityl)imidazole|1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole|1H-Imidazole, 1-((2-chlorophenyl)diphenylmethyl)-|1H-Imidazole, 1-[(2-chlorophenyl)diphenylmethyl]-|5-23-04-00291|Bis-fenil-(2-clorofenil)-1-imidazolil-metano|Bis-phenyl-(2-chlorophenyl)(1-imidazoyl)methane|Bisphenyl-(2-chlorphenyl)-1-imidazolyl-methan|BRN 0622318|Canesten|Canestene|Canifug|Chlotrimazole|Clomatin|Clotrimazol|Clotrimazolum|Cutistad|Desamix F|Diphenyl-(2-chlorophenyl)-1-imidazolylmethane|Diphenyl(2-chlorophenyl)(1-imidazolyl)methane|EINECS 245-764-8|Empecid|Esparol|Femcare|Gino-Lotremine|Gyne lotrimin|Gyne-Lotrimin|Gyne-lotrimin 3|Gyne-lotrimin 3 Combination Pack|Gyne-Lotri|117829-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029871
ARPathway2016 ARPathway2016_122 Clotrimazole 23593-75-1 DTXSID7029871 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC1=C(C=CC=C1)C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Clotrimazole 23593-75-1|Clotrimazole|(2-Chlorophenyl)diphenyl-1-imidazolylmethane|(Chlorotrityl)imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole (9CI)|1-((o-Chloro-phenyl)diphenylmethyl)imidazole|1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole|1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole|1-(o-Chlorophenyldiphenylmethyl)imidazole|1-(o-Chlorotrityl)imidazole|1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole|1H-Imidazole, 1-((2-chlorophenyl)diphenylmethyl)-|1H-Imidazole, 1-[(2-chlorophenyl)diphenylmethyl]-|5-23-04-00291|Bis-fenil-(2-clorofenil)-1-imidazolil-metano|Bis-phenyl-(2-chlorophenyl)(1-imidazoyl)methane|Bisphenyl-(2-chlorphenyl)-1-imidazolyl-methan|BRN 0622318|Canesten|Canestene|Canifug|Chlotrimazole|Clomatin|Clotrimazol|Clotrimazolum|Cutistad|Desamix F|Diphenyl-(2-chlorophenyl)-1-imidazolylmethane|Diphenyl(2-chlorophenyl)(1-imidazolyl)methane|EINECS 245-764-8|Empecid|Esparol|Femcare|Gino-Lotremine|Gyne lotrimin|Gyne-Lotrimin|Gyne-lotrimin 3|Gyne-lotrimin 3 Combination Pack|Gyne-Lotri|117829-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029871
ERPathway2016 ERPathway2016_65 Clotrimazole 23593-75-1 DTXSID7029871 R6 ER Pathway Model, Agonist AC50 0.730754170807527 uM ClC1=C(C=CC=C1)C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Clotrimazole 23593-75-1|Clotrimazole|(2-Chlorophenyl)diphenyl-1-imidazolylmethane|(Chlorotrityl)imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole (9CI)|1-((o-Chloro-phenyl)diphenylmethyl)imidazole|1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole|1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole|1-(o-Chlorophenyldiphenylmethyl)imidazole|1-(o-Chlorotrityl)imidazole|1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole|1H-Imidazole, 1-((2-chlorophenyl)diphenylmethyl)-|1H-Imidazole, 1-[(2-chlorophenyl)diphenylmethyl]-|5-23-04-00291|Bis-fenil-(2-clorofenil)-1-imidazolil-metano|Bis-phenyl-(2-chlorophenyl)(1-imidazoyl)methane|Bisphenyl-(2-chlorphenyl)-1-imidazolyl-methan|BRN 0622318|Canesten|Canestene|Canifug|Chlotrimazole|Clomatin|Clotrimazol|Clotrimazolum|Cutistad|Desamix F|Diphenyl-(2-chlorophenyl)-1-imidazolylmethane|Diphenyl(2-chlorophenyl)(1-imidazolyl)methane|EINECS 245-764-8|Empecid|Esparol|Femcare|Gino-Lotremine|Gyne lotrimin|Gyne-Lotrimin|Gyne-lotrimin 3|Gyne-lotrimin 3 Combination Pack|Gyne-Lotri|117829-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029871
ERPathway2016 ERPathway2016_65 Clotrimazole 23593-75-1 DTXSID7029871 R6 ER Pathway Model, Agonist ACC 0.906985519050285 uM ClC1=C(C=CC=C1)C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Clotrimazole 23593-75-1|Clotrimazole|(2-Chlorophenyl)diphenyl-1-imidazolylmethane|(Chlorotrityl)imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole (9CI)|1-((o-Chloro-phenyl)diphenylmethyl)imidazole|1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole|1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole|1-(o-Chlorophenyldiphenylmethyl)imidazole|1-(o-Chlorotrityl)imidazole|1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole|1H-Imidazole, 1-((2-chlorophenyl)diphenylmethyl)-|1H-Imidazole, 1-[(2-chlorophenyl)diphenylmethyl]-|5-23-04-00291|Bis-fenil-(2-clorofenil)-1-imidazolil-metano|Bis-phenyl-(2-chlorophenyl)(1-imidazoyl)methane|Bisphenyl-(2-chlorphenyl)-1-imidazolyl-methan|BRN 0622318|Canesten|Canestene|Canifug|Chlotrimazole|Clomatin|Clotrimazol|Clotrimazolum|Cutistad|Desamix F|Diphenyl-(2-chlorophenyl)-1-imidazolylmethane|Diphenyl(2-chlorophenyl)(1-imidazolyl)methane|EINECS 245-764-8|Empecid|Esparol|Femcare|Gino-Lotremine|Gyne lotrimin|Gyne-Lotrimin|Gyne-lotrimin 3|Gyne-lotrimin 3 Combination Pack|Gyne-Lotri|117829-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029871
ERPathway2016 ERPathway2016_65 Clotrimazole 23593-75-1 DTXSID7029871 R6 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=C(C=CC=C1)C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Clotrimazole 23593-75-1|Clotrimazole|(2-Chlorophenyl)diphenyl-1-imidazolylmethane|(Chlorotrityl)imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole (9CI)|1-((o-Chloro-phenyl)diphenylmethyl)imidazole|1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole|1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole|1-(o-Chlorophenyldiphenylmethyl)imidazole|1-(o-Chlorotrityl)imidazole|1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole|1H-Imidazole, 1-((2-chlorophenyl)diphenylmethyl)-|1H-Imidazole, 1-[(2-chlorophenyl)diphenylmethyl]-|5-23-04-00291|Bis-fenil-(2-clorofenil)-1-imidazolil-metano|Bis-phenyl-(2-chlorophenyl)(1-imidazoyl)methane|Bisphenyl-(2-chlorphenyl)-1-imidazolyl-methan|BRN 0622318|Canesten|Canestene|Canifug|Chlotrimazole|Clomatin|Clotrimazol|Clotrimazolum|Cutistad|Desamix F|Diphenyl-(2-chlorophenyl)-1-imidazolylmethane|Diphenyl(2-chlorophenyl)(1-imidazolyl)methane|EINECS 245-764-8|Empecid|Esparol|Femcare|Gino-Lotremine|Gyne lotrimin|Gyne-Lotrimin|Gyne-lotrimin 3|Gyne-lotrimin 3 Combination Pack|Gyne-Lotri|117829-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029871
ERPathway2016 ERPathway2016_65 Clotrimazole 23593-75-1 DTXSID7029871 R6 ER Pathway Model, Antagonist Model Score 0.00844 Unitless ClC1=C(C=CC=C1)C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Clotrimazole 23593-75-1|Clotrimazole|(2-Chlorophenyl)diphenyl-1-imidazolylmethane|(Chlorotrityl)imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole (9CI)|1-((o-Chloro-phenyl)diphenylmethyl)imidazole|1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole|1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole|1-(o-Chlorophenyldiphenylmethyl)imidazole|1-(o-Chlorotrityl)imidazole|1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole|1H-Imidazole, 1-((2-chlorophenyl)diphenylmethyl)-|1H-Imidazole, 1-[(2-chlorophenyl)diphenylmethyl]-|5-23-04-00291|Bis-fenil-(2-clorofenil)-1-imidazolil-metano|Bis-phenyl-(2-chlorophenyl)(1-imidazoyl)methane|Bisphenyl-(2-chlorphenyl)-1-imidazolyl-methan|BRN 0622318|Canesten|Canestene|Canifug|Chlotrimazole|Clomatin|Clotrimazol|Clotrimazolum|Cutistad|Desamix F|Diphenyl-(2-chlorophenyl)-1-imidazolylmethane|Diphenyl(2-chlorophenyl)(1-imidazolyl)methane|EINECS 245-764-8|Empecid|Esparol|Femcare|Gino-Lotremine|Gyne lotrimin|Gyne-Lotrimin|Gyne-lotrimin 3|Gyne-lotrimin 3 Combination Pack|Gyne-Lotri|117829-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029871
ERPathway2016 ERPathway2016_65 Clotrimazole 23593-75-1 DTXSID7029871 R6 ER Pathway Model, Agonist Call Active Unitless ClC1=C(C=CC=C1)C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Clotrimazole 23593-75-1|Clotrimazole|(2-Chlorophenyl)diphenyl-1-imidazolylmethane|(Chlorotrityl)imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole (9CI)|1-((o-Chloro-phenyl)diphenylmethyl)imidazole|1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole|1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole|1-(o-Chlorophenyldiphenylmethyl)imidazole|1-(o-Chlorotrityl)imidazole|1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole|1H-Imidazole, 1-((2-chlorophenyl)diphenylmethyl)-|1H-Imidazole, 1-[(2-chlorophenyl)diphenylmethyl]-|5-23-04-00291|Bis-fenil-(2-clorofenil)-1-imidazolil-metano|Bis-phenyl-(2-chlorophenyl)(1-imidazoyl)methane|Bisphenyl-(2-chlorphenyl)-1-imidazolyl-methan|BRN 0622318|Canesten|Canestene|Canifug|Chlotrimazole|Clomatin|Clotrimazol|Clotrimazolum|Cutistad|Desamix F|Diphenyl-(2-chlorophenyl)-1-imidazolylmethane|Diphenyl(2-chlorophenyl)(1-imidazolyl)methane|EINECS 245-764-8|Empecid|Esparol|Femcare|Gino-Lotremine|Gyne lotrimin|Gyne-Lotrimin|Gyne-lotrimin 3|Gyne-lotrimin 3 Combination Pack|Gyne-Lotri|117829-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029871
ERPathway2016 ERPathway2016_65 Clotrimazole 23593-75-1 DTXSID7029871 R6 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=C(C=CC=C1)C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Clotrimazole 23593-75-1|Clotrimazole|(2-Chlorophenyl)diphenyl-1-imidazolylmethane|(Chlorotrityl)imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole|1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole (9CI)|1-((o-Chloro-phenyl)diphenylmethyl)imidazole|1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole|1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole|1-(o-Chlorophenyldiphenylmethyl)imidazole|1-(o-Chlorotrityl)imidazole|1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole|1H-Imidazole, 1-((2-chlorophenyl)diphenylmethyl)-|1H-Imidazole, 1-[(2-chlorophenyl)diphenylmethyl]-|5-23-04-00291|Bis-fenil-(2-clorofenil)-1-imidazolil-metano|Bis-phenyl-(2-chlorophenyl)(1-imidazoyl)methane|Bisphenyl-(2-chlorphenyl)-1-imidazolyl-methan|BRN 0622318|Canesten|Canestene|Canifug|Chlotrimazole|Clomatin|Clotrimazol|Clotrimazolum|Cutistad|Desamix F|Diphenyl-(2-chlorophenyl)-1-imidazolylmethane|Diphenyl(2-chlorophenyl)(1-imidazolyl)methane|EINECS 245-764-8|Empecid|Esparol|Femcare|Gino-Lotremine|Gyne lotrimin|Gyne-Lotrimin|Gyne-lotrimin 3|Gyne-lotrimin 3 Combination Pack|Gyne-Lotri|117829-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029871
ARPathway2016 ARPathway2016_1593 Clove leaf oil 8000-34-8 DTXSID8044175 0.0 A2 AR Pathway Model, Antagonist Model Score 0 Unitless Clove leaf oil 8000-34-8|Clove leaf oil|Clove absolute|Clove bud absolute|Clove bud oil|Clove bud oil (Eugenia spp.)|Clove leaf absolure (Eugenia spp.)|Clove leaf oil (Eugenia spp.)|Clove leaf oil, Indonesian|Clove leaf oil, rectified|Clove oil|Clove oil, redistilled|Clove resinoid|Clove stem oil|Clove, bud oil|Essence de girofle|Essential clove oil|Essential oils, clove|Essential oils, clove leaf|Essential oils, clove stem|Eugenia aromatica bud oil|Eugenia aromatica leaf oil|Eugenia aromatica stem oil|Eugenia caryophyllata bud oil|Eugenia caryophyllata leaf oil|Eugenia caryophyllata stem oil|FEMA No. 2323|FEMA No. 2325|Nelken oel|Oil clove|Oil clove leaf|Oil clove stem|Oil eugenia caryophyllata|Oil of Clove|Oil of clove bud|Oil of clove leaf, Madogoscar|Oils, clove|Oils, clove inflorescence|Oils, clove leaf|Oils, clove stem|Oils, essential, clove|Oils, essential, clove leaf|Oils, essential, clove stem|Oils, Eugenia caryophyllata bud|Oils, Eugenia caryophyllata leaf|Oils, Eugenia caryophyllata stem|Oils, Syzygium aromaticum bud|Oils, Syzygium aroma|8015-97-2|8015-98-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044175
ARPathway2016 ARPathway2016_1593 Clove leaf oil 8000-34-8 DTXSID8044175 0.0 A2 AR Pathway Model, Agonist Model Score 0 Unitless Clove leaf oil 8000-34-8|Clove leaf oil|Clove absolute|Clove bud absolute|Clove bud oil|Clove bud oil (Eugenia spp.)|Clove leaf absolure (Eugenia spp.)|Clove leaf oil (Eugenia spp.)|Clove leaf oil, Indonesian|Clove leaf oil, rectified|Clove oil|Clove oil, redistilled|Clove resinoid|Clove stem oil|Clove, bud oil|Essence de girofle|Essential clove oil|Essential oils, clove|Essential oils, clove leaf|Essential oils, clove stem|Eugenia aromatica bud oil|Eugenia aromatica leaf oil|Eugenia aromatica stem oil|Eugenia caryophyllata bud oil|Eugenia caryophyllata leaf oil|Eugenia caryophyllata stem oil|FEMA No. 2323|FEMA No. 2325|Nelken oel|Oil clove|Oil clove leaf|Oil clove stem|Oil eugenia caryophyllata|Oil of Clove|Oil of clove bud|Oil of clove leaf, Madogoscar|Oils, clove|Oils, clove inflorescence|Oils, clove leaf|Oils, clove stem|Oils, essential, clove|Oils, essential, clove leaf|Oils, essential, clove stem|Oils, Eugenia caryophyllata bud|Oils, Eugenia caryophyllata leaf|Oils, Eugenia caryophyllata stem|Oils, Syzygium aromaticum bud|Oils, Syzygium aroma|8015-97-2|8015-98-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044175
ARPathway2016 ARPathway2016_1593 Clove leaf oil 8000-34-8 DTXSID8044175 0.0 A2 AR Pathway Model, Agonist Call Inactive Unitless Clove leaf oil 8000-34-8|Clove leaf oil|Clove absolute|Clove bud absolute|Clove bud oil|Clove bud oil (Eugenia spp.)|Clove leaf absolure (Eugenia spp.)|Clove leaf oil (Eugenia spp.)|Clove leaf oil, Indonesian|Clove leaf oil, rectified|Clove oil|Clove oil, redistilled|Clove resinoid|Clove stem oil|Clove, bud oil|Essence de girofle|Essential clove oil|Essential oils, clove|Essential oils, clove leaf|Essential oils, clove stem|Eugenia aromatica bud oil|Eugenia aromatica leaf oil|Eugenia aromatica stem oil|Eugenia caryophyllata bud oil|Eugenia caryophyllata leaf oil|Eugenia caryophyllata stem oil|FEMA No. 2323|FEMA No. 2325|Nelken oel|Oil clove|Oil clove leaf|Oil clove stem|Oil eugenia caryophyllata|Oil of Clove|Oil of clove bud|Oil of clove leaf, Madogoscar|Oils, clove|Oils, clove inflorescence|Oils, clove leaf|Oils, clove stem|Oils, essential, clove|Oils, essential, clove leaf|Oils, essential, clove stem|Oils, Eugenia caryophyllata bud|Oils, Eugenia caryophyllata leaf|Oils, Eugenia caryophyllata stem|Oils, Syzygium aromaticum bud|Oils, Syzygium aroma|8015-97-2|8015-98-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044175
ARPathway2016 ARPathway2016_1593 Clove leaf oil 8000-34-8 DTXSID8044175 0.0 A2 AR Pathway Model, Antagonist Call Inactive Unitless Clove leaf oil 8000-34-8|Clove leaf oil|Clove absolute|Clove bud absolute|Clove bud oil|Clove bud oil (Eugenia spp.)|Clove leaf absolure (Eugenia spp.)|Clove leaf oil (Eugenia spp.)|Clove leaf oil, Indonesian|Clove leaf oil, rectified|Clove oil|Clove oil, redistilled|Clove resinoid|Clove stem oil|Clove, bud oil|Essence de girofle|Essential clove oil|Essential oils, clove|Essential oils, clove leaf|Essential oils, clove stem|Eugenia aromatica bud oil|Eugenia aromatica leaf oil|Eugenia aromatica stem oil|Eugenia caryophyllata bud oil|Eugenia caryophyllata leaf oil|Eugenia caryophyllata stem oil|FEMA No. 2323|FEMA No. 2325|Nelken oel|Oil clove|Oil clove leaf|Oil clove stem|Oil eugenia caryophyllata|Oil of Clove|Oil of clove bud|Oil of clove leaf, Madogoscar|Oils, clove|Oils, clove inflorescence|Oils, clove leaf|Oils, clove stem|Oils, essential, clove|Oils, essential, clove leaf|Oils, essential, clove stem|Oils, Eugenia caryophyllata bud|Oils, Eugenia caryophyllata leaf|Oils, Eugenia caryophyllata stem|Oils, Syzygium aromaticum bud|Oils, Syzygium aroma|8015-97-2|8015-98-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044175
ERPathway2016 ERPathway2016_535 Clove leaf oil 8000-34-8 DTXSID8044175 A12 ER Pathway Model, Agonist Model Score 0 Unitless Clove leaf oil 8000-34-8|Clove leaf oil|Clove absolute|Clove bud absolute|Clove bud oil|Clove bud oil (Eugenia spp.)|Clove leaf absolure (Eugenia spp.)|Clove leaf oil (Eugenia spp.)|Clove leaf oil, Indonesian|Clove leaf oil, rectified|Clove oil|Clove oil, redistilled|Clove resinoid|Clove stem oil|Clove, bud oil|Essence de girofle|Essential clove oil|Essential oils, clove|Essential oils, clove leaf|Essential oils, clove stem|Eugenia aromatica bud oil|Eugenia aromatica leaf oil|Eugenia aromatica stem oil|Eugenia caryophyllata bud oil|Eugenia caryophyllata leaf oil|Eugenia caryophyllata stem oil|FEMA No. 2323|FEMA No. 2325|Nelken oel|Oil clove|Oil clove leaf|Oil clove stem|Oil eugenia caryophyllata|Oil of Clove|Oil of clove bud|Oil of clove leaf, Madogoscar|Oils, clove|Oils, clove inflorescence|Oils, clove leaf|Oils, clove stem|Oils, essential, clove|Oils, essential, clove leaf|Oils, essential, clove stem|Oils, Eugenia caryophyllata bud|Oils, Eugenia caryophyllata leaf|Oils, Eugenia caryophyllata stem|Oils, Syzygium aromaticum bud|Oils, Syzygium aroma|8015-97-2|8015-98-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044175
ERPathway2016 ERPathway2016_535 Clove leaf oil 8000-34-8 DTXSID8044175 A12 ER Pathway Model, Antagonist Model Score 0 Unitless Clove leaf oil 8000-34-8|Clove leaf oil|Clove absolute|Clove bud absolute|Clove bud oil|Clove bud oil (Eugenia spp.)|Clove leaf absolure (Eugenia spp.)|Clove leaf oil (Eugenia spp.)|Clove leaf oil, Indonesian|Clove leaf oil, rectified|Clove oil|Clove oil, redistilled|Clove resinoid|Clove stem oil|Clove, bud oil|Essence de girofle|Essential clove oil|Essential oils, clove|Essential oils, clove leaf|Essential oils, clove stem|Eugenia aromatica bud oil|Eugenia aromatica leaf oil|Eugenia aromatica stem oil|Eugenia caryophyllata bud oil|Eugenia caryophyllata leaf oil|Eugenia caryophyllata stem oil|FEMA No. 2323|FEMA No. 2325|Nelken oel|Oil clove|Oil clove leaf|Oil clove stem|Oil eugenia caryophyllata|Oil of Clove|Oil of clove bud|Oil of clove leaf, Madogoscar|Oils, clove|Oils, clove inflorescence|Oils, clove leaf|Oils, clove stem|Oils, essential, clove|Oils, essential, clove leaf|Oils, essential, clove stem|Oils, Eugenia caryophyllata bud|Oils, Eugenia caryophyllata leaf|Oils, Eugenia caryophyllata stem|Oils, Syzygium aromaticum bud|Oils, Syzygium aroma|8015-97-2|8015-98-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044175
ERPathway2016 ERPathway2016_535 Clove leaf oil 8000-34-8 DTXSID8044175 A12 ER Pathway Model, Agonist Call Inactive Unitless Clove leaf oil 8000-34-8|Clove leaf oil|Clove absolute|Clove bud absolute|Clove bud oil|Clove bud oil (Eugenia spp.)|Clove leaf absolure (Eugenia spp.)|Clove leaf oil (Eugenia spp.)|Clove leaf oil, Indonesian|Clove leaf oil, rectified|Clove oil|Clove oil, redistilled|Clove resinoid|Clove stem oil|Clove, bud oil|Essence de girofle|Essential clove oil|Essential oils, clove|Essential oils, clove leaf|Essential oils, clove stem|Eugenia aromatica bud oil|Eugenia aromatica leaf oil|Eugenia aromatica stem oil|Eugenia caryophyllata bud oil|Eugenia caryophyllata leaf oil|Eugenia caryophyllata stem oil|FEMA No. 2323|FEMA No. 2325|Nelken oel|Oil clove|Oil clove leaf|Oil clove stem|Oil eugenia caryophyllata|Oil of Clove|Oil of clove bud|Oil of clove leaf, Madogoscar|Oils, clove|Oils, clove inflorescence|Oils, clove leaf|Oils, clove stem|Oils, essential, clove|Oils, essential, clove leaf|Oils, essential, clove stem|Oils, Eugenia caryophyllata bud|Oils, Eugenia caryophyllata leaf|Oils, Eugenia caryophyllata stem|Oils, Syzygium aromaticum bud|Oils, Syzygium aroma|8015-97-2|8015-98-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044175
ERPathway2016 ERPathway2016_535 Clove leaf oil 8000-34-8 DTXSID8044175 A12 ER Pathway Model, Antagonist Call Inactive Unitless Clove leaf oil 8000-34-8|Clove leaf oil|Clove absolute|Clove bud absolute|Clove bud oil|Clove bud oil (Eugenia spp.)|Clove leaf absolure (Eugenia spp.)|Clove leaf oil (Eugenia spp.)|Clove leaf oil, Indonesian|Clove leaf oil, rectified|Clove oil|Clove oil, redistilled|Clove resinoid|Clove stem oil|Clove, bud oil|Essence de girofle|Essential clove oil|Essential oils, clove|Essential oils, clove leaf|Essential oils, clove stem|Eugenia aromatica bud oil|Eugenia aromatica leaf oil|Eugenia aromatica stem oil|Eugenia caryophyllata bud oil|Eugenia caryophyllata leaf oil|Eugenia caryophyllata stem oil|FEMA No. 2323|FEMA No. 2325|Nelken oel|Oil clove|Oil clove leaf|Oil clove stem|Oil eugenia caryophyllata|Oil of Clove|Oil of clove bud|Oil of clove leaf, Madogoscar|Oils, clove|Oils, clove inflorescence|Oils, clove leaf|Oils, clove stem|Oils, essential, clove|Oils, essential, clove leaf|Oils, essential, clove stem|Oils, Eugenia caryophyllata bud|Oils, Eugenia caryophyllata leaf|Oils, Eugenia caryophyllata stem|Oils, Syzygium aromaticum bud|Oils, Syzygium aroma|8015-97-2|8015-98-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044175
ARPathway2016 ARPathway2016_1446 Colchicine 64-86-8 DTXSID5024845 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O Colchicine 64-86-8|Colchicine|(-)-Colchicine|(S)-colchicine|(S)-N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide|7-alpha-H-Colchicine|7alphaH-colchicine|Acetamide, N-((7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-|Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-|Benzo(a)heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-|Colchicin|colchicina|COLCHICINE FU|colchicinum|Colchineos|Colchisol|Colchysat|Colcrys|Colsaloid|Condylon|EINECS 200-598-5|Goutnil|Kolkicin|N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide|N-Acetyl trimethylcolchicinic acid methylether|NSC 757|UNII-SML2Y3J35T|30512-31-3|5843-86-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024845 https://doi.org/10.22427/NTP-DATA-DTXSID5024845
ARPathway2016 ARPathway2016_1446 Colchicine 64-86-8 DTXSID5024845 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O Colchicine 64-86-8|Colchicine|(-)-Colchicine|(S)-colchicine|(S)-N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide|7-alpha-H-Colchicine|7alphaH-colchicine|Acetamide, N-((7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-|Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-|Benzo(a)heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-|Colchicin|colchicina|COLCHICINE FU|colchicinum|Colchineos|Colchisol|Colchysat|Colcrys|Colsaloid|Condylon|EINECS 200-598-5|Goutnil|Kolkicin|N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide|N-Acetyl trimethylcolchicinic acid methylether|NSC 757|UNII-SML2Y3J35T|30512-31-3|5843-86-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024845 https://doi.org/10.22427/NTP-DATA-DTXSID5024845
ARPathway2016 ARPathway2016_1446 Colchicine 64-86-8 DTXSID5024845 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O Colchicine 64-86-8|Colchicine|(-)-Colchicine|(S)-colchicine|(S)-N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide|7-alpha-H-Colchicine|7alphaH-colchicine|Acetamide, N-((7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-|Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-|Benzo(a)heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-|Colchicin|colchicina|COLCHICINE FU|colchicinum|Colchineos|Colchisol|Colchysat|Colcrys|Colsaloid|Condylon|EINECS 200-598-5|Goutnil|Kolkicin|N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide|N-Acetyl trimethylcolchicinic acid methylether|NSC 757|UNII-SML2Y3J35T|30512-31-3|5843-86-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024845 https://doi.org/10.22427/NTP-DATA-DTXSID5024845
ARPathway2016 ARPathway2016_1446 Colchicine 64-86-8 DTXSID5024845 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O Colchicine 64-86-8|Colchicine|(-)-Colchicine|(S)-colchicine|(S)-N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide|7-alpha-H-Colchicine|7alphaH-colchicine|Acetamide, N-((7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-|Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-|Benzo(a)heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-|Colchicin|colchicina|COLCHICINE FU|colchicinum|Colchineos|Colchisol|Colchysat|Colcrys|Colsaloid|Condylon|EINECS 200-598-5|Goutnil|Kolkicin|N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide|N-Acetyl trimethylcolchicinic acid methylether|NSC 757|UNII-SML2Y3J35T|30512-31-3|5843-86-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024845 https://doi.org/10.22427/NTP-DATA-DTXSID5024845
ERPathway2016 ERPathway2016_1597 Colchicine 64-86-8 DTXSID5024845 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O Colchicine 64-86-8|Colchicine|(-)-Colchicine|(S)-colchicine|(S)-N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide|7-alpha-H-Colchicine|7alphaH-colchicine|Acetamide, N-((7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-|Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-|Benzo(a)heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-|Colchicin|colchicina|COLCHICINE FU|colchicinum|Colchineos|Colchisol|Colchysat|Colcrys|Colsaloid|Condylon|EINECS 200-598-5|Goutnil|Kolkicin|N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide|N-Acetyl trimethylcolchicinic acid methylether|NSC 757|UNII-SML2Y3J35T|30512-31-3|5843-86-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024845 https://doi.org/10.22427/NTP-DATA-DTXSID5024845
ERPathway2016 ERPathway2016_1597 Colchicine 64-86-8 DTXSID5024845 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O Colchicine 64-86-8|Colchicine|(-)-Colchicine|(S)-colchicine|(S)-N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide|7-alpha-H-Colchicine|7alphaH-colchicine|Acetamide, N-((7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-|Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-|Benzo(a)heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-|Colchicin|colchicina|COLCHICINE FU|colchicinum|Colchineos|Colchisol|Colchysat|Colcrys|Colsaloid|Condylon|EINECS 200-598-5|Goutnil|Kolkicin|N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide|N-Acetyl trimethylcolchicinic acid methylether|NSC 757|UNII-SML2Y3J35T|30512-31-3|5843-86-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024845 https://doi.org/10.22427/NTP-DATA-DTXSID5024845
ERPathway2016 ERPathway2016_1597 Colchicine 64-86-8 DTXSID5024845 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O Colchicine 64-86-8|Colchicine|(-)-Colchicine|(S)-colchicine|(S)-N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide|7-alpha-H-Colchicine|7alphaH-colchicine|Acetamide, N-((7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-|Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-|Benzo(a)heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-|Colchicin|colchicina|COLCHICINE FU|colchicinum|Colchineos|Colchisol|Colchysat|Colcrys|Colsaloid|Condylon|EINECS 200-598-5|Goutnil|Kolkicin|N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide|N-Acetyl trimethylcolchicinic acid methylether|NSC 757|UNII-SML2Y3J35T|30512-31-3|5843-86-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024845 https://doi.org/10.22427/NTP-DATA-DTXSID5024845
ERPathway2016 ERPathway2016_1597 Colchicine 64-86-8 DTXSID5024845 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O Colchicine 64-86-8|Colchicine|(-)-Colchicine|(S)-colchicine|(S)-N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide|7-alpha-H-Colchicine|7alphaH-colchicine|Acetamide, N-((7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-|Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-|Benzo(a)heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-|Colchicin|colchicina|COLCHICINE FU|colchicinum|Colchineos|Colchisol|Colchysat|Colcrys|Colsaloid|Condylon|EINECS 200-598-5|Goutnil|Kolkicin|N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide|N-Acetyl trimethylcolchicinic acid methylether|NSC 757|UNII-SML2Y3J35T|30512-31-3|5843-86-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024845 https://doi.org/10.22427/NTP-DATA-DTXSID5024845
ARPathway2016 ARPathway2016_1490 Cornmint oil 68917-18-0 DTXSID3047712 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cornmint oil 68917-18-0|Cornmint oil|Corn mint oil|Japanese mint oil|Mentha arvensis oil|Mentha arvensos oil|Mentha oil|Oil mentha arvensis|Oils, mint, mentha arvensis piperascens|UNII-1AEY1M553N|UNII-Q129Z1W6Y2|Wild mint oil https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047712
ARPathway2016 ARPathway2016_1490 Cornmint oil 68917-18-0 DTXSID3047712 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cornmint oil 68917-18-0|Cornmint oil|Corn mint oil|Japanese mint oil|Mentha arvensis oil|Mentha arvensos oil|Mentha oil|Oil mentha arvensis|Oils, mint, mentha arvensis piperascens|UNII-1AEY1M553N|UNII-Q129Z1W6Y2|Wild mint oil https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047712
ARPathway2016 ARPathway2016_1490 Cornmint oil 68917-18-0 DTXSID3047712 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cornmint oil 68917-18-0|Cornmint oil|Corn mint oil|Japanese mint oil|Mentha arvensis oil|Mentha arvensos oil|Mentha oil|Oil mentha arvensis|Oils, mint, mentha arvensis piperascens|UNII-1AEY1M553N|UNII-Q129Z1W6Y2|Wild mint oil https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047712
ARPathway2016 ARPathway2016_1490 Cornmint oil 68917-18-0 DTXSID3047712 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cornmint oil 68917-18-0|Cornmint oil|Corn mint oil|Japanese mint oil|Mentha arvensis oil|Mentha arvensos oil|Mentha oil|Oil mentha arvensis|Oils, mint, mentha arvensis piperascens|UNII-1AEY1M553N|UNII-Q129Z1W6Y2|Wild mint oil https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047712
ERPathway2016 ERPathway2016_967 Cornmint oil 68917-18-0 DTXSID3047712 ER Pathway Model, Agonist Model Score 0 Unitless Cornmint oil 68917-18-0|Cornmint oil|Corn mint oil|Japanese mint oil|Mentha arvensis oil|Mentha arvensos oil|Mentha oil|Oil mentha arvensis|Oils, mint, mentha arvensis piperascens|UNII-1AEY1M553N|UNII-Q129Z1W6Y2|Wild mint oil https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047712
ERPathway2016 ERPathway2016_967 Cornmint oil 68917-18-0 DTXSID3047712 ER Pathway Model, Antagonist Model Score 0 Unitless Cornmint oil 68917-18-0|Cornmint oil|Corn mint oil|Japanese mint oil|Mentha arvensis oil|Mentha arvensos oil|Mentha oil|Oil mentha arvensis|Oils, mint, mentha arvensis piperascens|UNII-1AEY1M553N|UNII-Q129Z1W6Y2|Wild mint oil https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047712
ERPathway2016 ERPathway2016_967 Cornmint oil 68917-18-0 DTXSID3047712 ER Pathway Model, Agonist Call Inactive Unitless Cornmint oil 68917-18-0|Cornmint oil|Corn mint oil|Japanese mint oil|Mentha arvensis oil|Mentha arvensos oil|Mentha oil|Oil mentha arvensis|Oils, mint, mentha arvensis piperascens|UNII-1AEY1M553N|UNII-Q129Z1W6Y2|Wild mint oil https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047712
ERPathway2016 ERPathway2016_967 Cornmint oil 68917-18-0 DTXSID3047712 ER Pathway Model, Antagonist Call Inactive Unitless Cornmint oil 68917-18-0|Cornmint oil|Corn mint oil|Japanese mint oil|Mentha arvensis oil|Mentha arvensos oil|Mentha oil|Oil mentha arvensis|Oils, mint, mentha arvensis piperascens|UNII-1AEY1M553N|UNII-Q129Z1W6Y2|Wild mint oil https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047712
ARPathway2016 ARPathway2016_364 Corticosterone 50-22-6 DTXSID6022474 1.0 Agonist AR Pathway Model, Antagonist ACC 1.49322364789575 uM C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Corticosterone 50-22-6|Corticosterone|(11-beta)-11,21-Dihydroxypregn-4-ene-3,20-dione|(11beta)-11,21-dihydroxypregn-4-ene-3,20-dione|(11b)-11,21-Dihydroxypregn-4-ene-3,20-dione|(1S,2R,10S,11S,14S,15S,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-17-glycoloyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|11-beta,21-Dihydroxypregn-3,20-dione|11-beta,21-Dihydroxyprogesterone|11-Hydroxycorticoaldosterone|11,12-Dihydroxyprogesterone|11,21-Dihydroxypregn-4-ene-3,20-dione|11,21-Dihy https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022474
ARPathway2016 ARPathway2016_364 Corticosterone 50-22-6 DTXSID6022474 1.0 Agonist AR Pathway Model, Antagonist AC50 4.5955316682798 uM C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Corticosterone 50-22-6|Corticosterone|(11-beta)-11,21-Dihydroxypregn-4-ene-3,20-dione|(11beta)-11,21-dihydroxypregn-4-ene-3,20-dione|(11b)-11,21-Dihydroxypregn-4-ene-3,20-dione|(1S,2R,10S,11S,14S,15S,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-17-glycoloyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|11-beta,21-Dihydroxypregn-3,20-dione|11-beta,21-Dihydroxyprogesterone|11-Hydroxycorticoaldosterone|11,12-Dihydroxyprogesterone|11,21-Dihydroxypregn-4-ene-3,20-dione|11,21-Dihy https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022474
ARPathway2016 ARPathway2016_364 Corticosterone 50-22-6 DTXSID6022474 1.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Corticosterone 50-22-6|Corticosterone|(11-beta)-11,21-Dihydroxypregn-4-ene-3,20-dione|(11beta)-11,21-dihydroxypregn-4-ene-3,20-dione|(11b)-11,21-Dihydroxypregn-4-ene-3,20-dione|(1S,2R,10S,11S,14S,15S,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-17-glycoloyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|11-beta,21-Dihydroxypregn-3,20-dione|11-beta,21-Dihydroxyprogesterone|11-Hydroxycorticoaldosterone|11,12-Dihydroxyprogesterone|11,21-Dihydroxypregn-4-ene-3,20-dione|11,21-Dihy https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022474
ARPathway2016 ARPathway2016_364 Corticosterone 50-22-6 DTXSID6022474 1.0 Agonist AR Pathway Model, Agonist Model Score 0.881 Unitless C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Corticosterone 50-22-6|Corticosterone|(11-beta)-11,21-Dihydroxypregn-4-ene-3,20-dione|(11beta)-11,21-dihydroxypregn-4-ene-3,20-dione|(11b)-11,21-Dihydroxypregn-4-ene-3,20-dione|(1S,2R,10S,11S,14S,15S,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-17-glycoloyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|11-beta,21-Dihydroxypregn-3,20-dione|11-beta,21-Dihydroxyprogesterone|11-Hydroxycorticoaldosterone|11,12-Dihydroxyprogesterone|11,21-Dihydroxypregn-4-ene-3,20-dione|11,21-Dihy https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022474
ARPathway2016 ARPathway2016_364 Corticosterone 50-22-6 DTXSID6022474 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Corticosterone 50-22-6|Corticosterone|(11-beta)-11,21-Dihydroxypregn-4-ene-3,20-dione|(11beta)-11,21-dihydroxypregn-4-ene-3,20-dione|(11b)-11,21-Dihydroxypregn-4-ene-3,20-dione|(1S,2R,10S,11S,14S,15S,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-17-glycoloyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|11-beta,21-Dihydroxypregn-3,20-dione|11-beta,21-Dihydroxyprogesterone|11-Hydroxycorticoaldosterone|11,12-Dihydroxyprogesterone|11,21-Dihydroxypregn-4-ene-3,20-dione|11,21-Dihy https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022474
ARPathway2016 ARPathway2016_364 Corticosterone 50-22-6 DTXSID6022474 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Corticosterone 50-22-6|Corticosterone|(11-beta)-11,21-Dihydroxypregn-4-ene-3,20-dione|(11beta)-11,21-dihydroxypregn-4-ene-3,20-dione|(11b)-11,21-Dihydroxypregn-4-ene-3,20-dione|(1S,2R,10S,11S,14S,15S,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-17-glycoloyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|11-beta,21-Dihydroxypregn-3,20-dione|11-beta,21-Dihydroxyprogesterone|11-Hydroxycorticoaldosterone|11,12-Dihydroxyprogesterone|11,21-Dihydroxypregn-4-ene-3,20-dione|11,21-Dihy https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022474
ERPathway2016 ERPathway2016_534 Corticosterone 50-22-6 DTXSID6022474 A13 ER Pathway Model, Agonist Model Score 0 Unitless C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Corticosterone 50-22-6|Corticosterone|(11-beta)-11,21-Dihydroxypregn-4-ene-3,20-dione|(11beta)-11,21-dihydroxypregn-4-ene-3,20-dione|(11b)-11,21-Dihydroxypregn-4-ene-3,20-dione|(1S,2R,10S,11S,14S,15S,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-17-glycoloyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|11-beta,21-Dihydroxypregn-3,20-dione|11-beta,21-Dihydroxyprogesterone|11-Hydroxycorticoaldosterone|11,12-Dihydroxyprogesterone|11,21-Dihydroxypregn-4-ene-3,20-dione|11,21-Dihy https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022474
ERPathway2016 ERPathway2016_534 Corticosterone 50-22-6 DTXSID6022474 A13 ER Pathway Model, Antagonist Model Score 0 Unitless C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Corticosterone 50-22-6|Corticosterone|(11-beta)-11,21-Dihydroxypregn-4-ene-3,20-dione|(11beta)-11,21-dihydroxypregn-4-ene-3,20-dione|(11b)-11,21-Dihydroxypregn-4-ene-3,20-dione|(1S,2R,10S,11S,14S,15S,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-17-glycoloyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|11-beta,21-Dihydroxypregn-3,20-dione|11-beta,21-Dihydroxyprogesterone|11-Hydroxycorticoaldosterone|11,12-Dihydroxyprogesterone|11,21-Dihydroxypregn-4-ene-3,20-dione|11,21-Dihy https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022474
ERPathway2016 ERPathway2016_534 Corticosterone 50-22-6 DTXSID6022474 A13 ER Pathway Model, Agonist Call Inactive Unitless C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Corticosterone 50-22-6|Corticosterone|(11-beta)-11,21-Dihydroxypregn-4-ene-3,20-dione|(11beta)-11,21-dihydroxypregn-4-ene-3,20-dione|(11b)-11,21-Dihydroxypregn-4-ene-3,20-dione|(1S,2R,10S,11S,14S,15S,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-17-glycoloyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|11-beta,21-Dihydroxypregn-3,20-dione|11-beta,21-Dihydroxyprogesterone|11-Hydroxycorticoaldosterone|11,12-Dihydroxyprogesterone|11,21-Dihydroxypregn-4-ene-3,20-dione|11,21-Dihy https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022474
ERPathway2016 ERPathway2016_534 Corticosterone 50-22-6 DTXSID6022474 A13 ER Pathway Model, Antagonist Call Inactive Unitless C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Corticosterone 50-22-6|Corticosterone|(11-beta)-11,21-Dihydroxypregn-4-ene-3,20-dione|(11beta)-11,21-dihydroxypregn-4-ene-3,20-dione|(11b)-11,21-Dihydroxypregn-4-ene-3,20-dione|(1S,2R,10S,11S,14S,15S,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,11S,13S,14S,17S)-17-glycoloyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|11-beta,21-Dihydroxypregn-3,20-dione|11-beta,21-Dihydroxyprogesterone|11-Hydroxycorticoaldosterone|11,12-Dihydroxyprogesterone|11,21-Dihydroxypregn-4-ene-3,20-dione|11,21-Dihy https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022474
ARPathway2016 ARPathway2016_1231 Cotinine 486-56-6 DTXSID1047576 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN1[C@@H](CCC1=O)C1=CN=CC=C1 Cotinine 486-56-6|Cotinine|(-)-Cotinine|(5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone|(5S)-1-methyl-5-(3-pyridyl)-2-pyrrolidone|(5S)-1-methyl-5-(3-pyridyl)pyrrolidin-2-one|(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one|(5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one|(5S)-1-Methyl-5-pyridin-3-ylpyrrolidin-2-one|(S)-(-)-Cotinine|(S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone|(S)-Cotinine|1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one|2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (5S)-|2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)-|5-24-02-00504|BRN 0083099|cotinina|cotinine|Cotininum|EC No.: 207-634-9|EINECS 207-634-9|NIH 10498|S-(-)-Cotinine|UNII-K5161X06LL|318-36-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047576
ARPathway2016 ARPathway2016_1231 Cotinine 486-56-6 DTXSID1047576 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN1[C@@H](CCC1=O)C1=CN=CC=C1 Cotinine 486-56-6|Cotinine|(-)-Cotinine|(5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone|(5S)-1-methyl-5-(3-pyridyl)-2-pyrrolidone|(5S)-1-methyl-5-(3-pyridyl)pyrrolidin-2-one|(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one|(5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one|(5S)-1-Methyl-5-pyridin-3-ylpyrrolidin-2-one|(S)-(-)-Cotinine|(S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone|(S)-Cotinine|1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one|2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (5S)-|2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)-|5-24-02-00504|BRN 0083099|cotinina|cotinine|Cotininum|EC No.: 207-634-9|EINECS 207-634-9|NIH 10498|S-(-)-Cotinine|UNII-K5161X06LL|318-36-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047576
ARPathway2016 ARPathway2016_1231 Cotinine 486-56-6 DTXSID1047576 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN1[C@@H](CCC1=O)C1=CN=CC=C1 Cotinine 486-56-6|Cotinine|(-)-Cotinine|(5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone|(5S)-1-methyl-5-(3-pyridyl)-2-pyrrolidone|(5S)-1-methyl-5-(3-pyridyl)pyrrolidin-2-one|(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one|(5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one|(5S)-1-Methyl-5-pyridin-3-ylpyrrolidin-2-one|(S)-(-)-Cotinine|(S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone|(S)-Cotinine|1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one|2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (5S)-|2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)-|5-24-02-00504|BRN 0083099|cotinina|cotinine|Cotininum|EC No.: 207-634-9|EINECS 207-634-9|NIH 10498|S-(-)-Cotinine|UNII-K5161X06LL|318-36-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047576
ARPathway2016 ARPathway2016_1231 Cotinine 486-56-6 DTXSID1047576 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN1[C@@H](CCC1=O)C1=CN=CC=C1 Cotinine 486-56-6|Cotinine|(-)-Cotinine|(5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone|(5S)-1-methyl-5-(3-pyridyl)-2-pyrrolidone|(5S)-1-methyl-5-(3-pyridyl)pyrrolidin-2-one|(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one|(5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one|(5S)-1-Methyl-5-pyridin-3-ylpyrrolidin-2-one|(S)-(-)-Cotinine|(S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone|(S)-Cotinine|1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one|2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (5S)-|2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)-|5-24-02-00504|BRN 0083099|cotinina|cotinine|Cotininum|EC No.: 207-634-9|EINECS 207-634-9|NIH 10498|S-(-)-Cotinine|UNII-K5161X06LL|318-36-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047576
ERPathway2016 ERPathway2016_1493 Cotinine 486-56-6 DTXSID1047576 ER Pathway Model, Agonist Model Score 0 Unitless CN1[C@@H](CCC1=O)C1=CN=CC=C1 Cotinine 486-56-6|Cotinine|(-)-Cotinine|(5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone|(5S)-1-methyl-5-(3-pyridyl)-2-pyrrolidone|(5S)-1-methyl-5-(3-pyridyl)pyrrolidin-2-one|(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one|(5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one|(5S)-1-Methyl-5-pyridin-3-ylpyrrolidin-2-one|(S)-(-)-Cotinine|(S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone|(S)-Cotinine|1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one|2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (5S)-|2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)-|5-24-02-00504|BRN 0083099|cotinina|cotinine|Cotininum|EC No.: 207-634-9|EINECS 207-634-9|NIH 10498|S-(-)-Cotinine|UNII-K5161X06LL|318-36-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047576
ERPathway2016 ERPathway2016_1493 Cotinine 486-56-6 DTXSID1047576 ER Pathway Model, Antagonist Model Score 0 Unitless CN1[C@@H](CCC1=O)C1=CN=CC=C1 Cotinine 486-56-6|Cotinine|(-)-Cotinine|(5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone|(5S)-1-methyl-5-(3-pyridyl)-2-pyrrolidone|(5S)-1-methyl-5-(3-pyridyl)pyrrolidin-2-one|(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one|(5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one|(5S)-1-Methyl-5-pyridin-3-ylpyrrolidin-2-one|(S)-(-)-Cotinine|(S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone|(S)-Cotinine|1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one|2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (5S)-|2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)-|5-24-02-00504|BRN 0083099|cotinina|cotinine|Cotininum|EC No.: 207-634-9|EINECS 207-634-9|NIH 10498|S-(-)-Cotinine|UNII-K5161X06LL|318-36-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047576
ERPathway2016 ERPathway2016_1493 Cotinine 486-56-6 DTXSID1047576 ER Pathway Model, Agonist Call Inactive Unitless CN1[C@@H](CCC1=O)C1=CN=CC=C1 Cotinine 486-56-6|Cotinine|(-)-Cotinine|(5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone|(5S)-1-methyl-5-(3-pyridyl)-2-pyrrolidone|(5S)-1-methyl-5-(3-pyridyl)pyrrolidin-2-one|(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one|(5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one|(5S)-1-Methyl-5-pyridin-3-ylpyrrolidin-2-one|(S)-(-)-Cotinine|(S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone|(S)-Cotinine|1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one|2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (5S)-|2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)-|5-24-02-00504|BRN 0083099|cotinina|cotinine|Cotininum|EC No.: 207-634-9|EINECS 207-634-9|NIH 10498|S-(-)-Cotinine|UNII-K5161X06LL|318-36-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047576
ERPathway2016 ERPathway2016_1493 Cotinine 486-56-6 DTXSID1047576 ER Pathway Model, Antagonist Call Inactive Unitless CN1[C@@H](CCC1=O)C1=CN=CC=C1 Cotinine 486-56-6|Cotinine|(-)-Cotinine|(5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone|(5S)-1-methyl-5-(3-pyridyl)-2-pyrrolidone|(5S)-1-methyl-5-(3-pyridyl)pyrrolidin-2-one|(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one|(5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one|(5S)-1-Methyl-5-pyridin-3-ylpyrrolidin-2-one|(S)-(-)-Cotinine|(S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone|(S)-Cotinine|1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one|2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (5S)-|2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)-|5-24-02-00504|BRN 0083099|cotinina|cotinine|Cotininum|EC No.: 207-634-9|EINECS 207-634-9|NIH 10498|S-(-)-Cotinine|UNII-K5161X06LL|318-36-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047576
ARPathway2016 ARPathway2016_216 Coumaphos 56-72-4 DTXSID2020347 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist AC50 35.24114577 uM CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2 Coumaphos 56-72-4|Coumaphos|3-Chloro-4-methyl-7-coumarinyl diethyl phosphorothioate|3-Chloro-4-methyl-7-hydroxycoumarin diethyl thiophosphoric acid ester|3-Chloro-4-methylumbelliferone O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-diethoxyphosphinothioyloxy-4-methylcoumarin|3-Chloro-7-hydroxy-4-methyl-coumarin O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-hydroxy-4-methyl-coumarin O,O-diethyl phosphorothioate|4-18-00-00344|Agridip|Asunthol|Asuntol|Azunthol|Bayer 21/199|BRN 0327083|Caswell No. 335|Coumafos|Coumafosum|Coumarin, 3-chloro-7-hydroxy-4-methyl-, O-ester with O,O-diethyl phosphorothioate|Coumphos|cumafos|Cumafosum|Diethyl 3-chloro-4-methylumbelliferyl thionophosphate|Diethyl thiophosphoric acid ester of 3-chloro-4-methyl-7-hydroxycoumarin|Diethyl-O-(3-chloro-4-methyl-7-coumarinyl) phosphorothioate|Diolice|EINECS 200-285-3|EPA Pesticide Chemical Code 036501|Meldane|Meldone|Muscatox|Muscotox|NCI-C08662|Negashunt|Negasunt|NSC 8944|O-(3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate|O-(3-chlo https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020347 https://doi.org/10.22427/NTP-DATA-DTXSID2020347
ARPathway2016 ARPathway2016_216 Coumaphos 56-72-4 DTXSID2020347 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist ACC 38.01604101 uM CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2 Coumaphos 56-72-4|Coumaphos|3-Chloro-4-methyl-7-coumarinyl diethyl phosphorothioate|3-Chloro-4-methyl-7-hydroxycoumarin diethyl thiophosphoric acid ester|3-Chloro-4-methylumbelliferone O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-diethoxyphosphinothioyloxy-4-methylcoumarin|3-Chloro-7-hydroxy-4-methyl-coumarin O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-hydroxy-4-methyl-coumarin O,O-diethyl phosphorothioate|4-18-00-00344|Agridip|Asunthol|Asuntol|Azunthol|Bayer 21/199|BRN 0327083|Caswell No. 335|Coumafos|Coumafosum|Coumarin, 3-chloro-7-hydroxy-4-methyl-, O-ester with O,O-diethyl phosphorothioate|Coumphos|cumafos|Cumafosum|Diethyl 3-chloro-4-methylumbelliferyl thionophosphate|Diethyl thiophosphoric acid ester of 3-chloro-4-methyl-7-hydroxycoumarin|Diethyl-O-(3-chloro-4-methyl-7-coumarinyl) phosphorothioate|Diolice|EINECS 200-285-3|EPA Pesticide Chemical Code 036501|Meldane|Meldone|Muscatox|Muscotox|NCI-C08662|Negashunt|Negasunt|NSC 8944|O-(3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate|O-(3-chlo https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020347 https://doi.org/10.22427/NTP-DATA-DTXSID2020347
ARPathway2016 ARPathway2016_216 Coumaphos 56-72-4 DTXSID2020347 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Antagonist Model Score 0.0369 Unitless CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2 Coumaphos 56-72-4|Coumaphos|3-Chloro-4-methyl-7-coumarinyl diethyl phosphorothioate|3-Chloro-4-methyl-7-hydroxycoumarin diethyl thiophosphoric acid ester|3-Chloro-4-methylumbelliferone O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-diethoxyphosphinothioyloxy-4-methylcoumarin|3-Chloro-7-hydroxy-4-methyl-coumarin O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-hydroxy-4-methyl-coumarin O,O-diethyl phosphorothioate|4-18-00-00344|Agridip|Asunthol|Asuntol|Azunthol|Bayer 21/199|BRN 0327083|Caswell No. 335|Coumafos|Coumafosum|Coumarin, 3-chloro-7-hydroxy-4-methyl-, O-ester with O,O-diethyl phosphorothioate|Coumphos|cumafos|Cumafosum|Diethyl 3-chloro-4-methylumbelliferyl thionophosphate|Diethyl thiophosphoric acid ester of 3-chloro-4-methyl-7-hydroxycoumarin|Diethyl-O-(3-chloro-4-methyl-7-coumarinyl) phosphorothioate|Diolice|EINECS 200-285-3|EPA Pesticide Chemical Code 036501|Meldane|Meldone|Muscatox|Muscotox|NCI-C08662|Negashunt|Negasunt|NSC 8944|O-(3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate|O-(3-chlo https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020347 https://doi.org/10.22427/NTP-DATA-DTXSID2020347
ARPathway2016 ARPathway2016_216 Coumaphos 56-72-4 DTXSID2020347 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2 Coumaphos 56-72-4|Coumaphos|3-Chloro-4-methyl-7-coumarinyl diethyl phosphorothioate|3-Chloro-4-methyl-7-hydroxycoumarin diethyl thiophosphoric acid ester|3-Chloro-4-methylumbelliferone O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-diethoxyphosphinothioyloxy-4-methylcoumarin|3-Chloro-7-hydroxy-4-methyl-coumarin O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-hydroxy-4-methyl-coumarin O,O-diethyl phosphorothioate|4-18-00-00344|Agridip|Asunthol|Asuntol|Azunthol|Bayer 21/199|BRN 0327083|Caswell No. 335|Coumafos|Coumafosum|Coumarin, 3-chloro-7-hydroxy-4-methyl-, O-ester with O,O-diethyl phosphorothioate|Coumphos|cumafos|Cumafosum|Diethyl 3-chloro-4-methylumbelliferyl thionophosphate|Diethyl thiophosphoric acid ester of 3-chloro-4-methyl-7-hydroxycoumarin|Diethyl-O-(3-chloro-4-methyl-7-coumarinyl) phosphorothioate|Diolice|EINECS 200-285-3|EPA Pesticide Chemical Code 036501|Meldane|Meldone|Muscatox|Muscotox|NCI-C08662|Negashunt|Negasunt|NSC 8944|O-(3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate|O-(3-chlo https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020347 https://doi.org/10.22427/NTP-DATA-DTXSID2020347
ARPathway2016 ARPathway2016_216 Coumaphos 56-72-4 DTXSID2020347 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist Call Active Unitless CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2 Coumaphos 56-72-4|Coumaphos|3-Chloro-4-methyl-7-coumarinyl diethyl phosphorothioate|3-Chloro-4-methyl-7-hydroxycoumarin diethyl thiophosphoric acid ester|3-Chloro-4-methylumbelliferone O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-diethoxyphosphinothioyloxy-4-methylcoumarin|3-Chloro-7-hydroxy-4-methyl-coumarin O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-hydroxy-4-methyl-coumarin O,O-diethyl phosphorothioate|4-18-00-00344|Agridip|Asunthol|Asuntol|Azunthol|Bayer 21/199|BRN 0327083|Caswell No. 335|Coumafos|Coumafosum|Coumarin, 3-chloro-7-hydroxy-4-methyl-, O-ester with O,O-diethyl phosphorothioate|Coumphos|cumafos|Cumafosum|Diethyl 3-chloro-4-methylumbelliferyl thionophosphate|Diethyl thiophosphoric acid ester of 3-chloro-4-methyl-7-hydroxycoumarin|Diethyl-O-(3-chloro-4-methyl-7-coumarinyl) phosphorothioate|Diolice|EINECS 200-285-3|EPA Pesticide Chemical Code 036501|Meldane|Meldone|Muscatox|Muscotox|NCI-C08662|Negashunt|Negasunt|NSC 8944|O-(3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate|O-(3-chlo https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020347 https://doi.org/10.22427/NTP-DATA-DTXSID2020347
ARPathway2016 ARPathway2016_216 Coumaphos 56-72-4 DTXSID2020347 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2 Coumaphos 56-72-4|Coumaphos|3-Chloro-4-methyl-7-coumarinyl diethyl phosphorothioate|3-Chloro-4-methyl-7-hydroxycoumarin diethyl thiophosphoric acid ester|3-Chloro-4-methylumbelliferone O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-diethoxyphosphinothioyloxy-4-methylcoumarin|3-Chloro-7-hydroxy-4-methyl-coumarin O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-hydroxy-4-methyl-coumarin O,O-diethyl phosphorothioate|4-18-00-00344|Agridip|Asunthol|Asuntol|Azunthol|Bayer 21/199|BRN 0327083|Caswell No. 335|Coumafos|Coumafosum|Coumarin, 3-chloro-7-hydroxy-4-methyl-, O-ester with O,O-diethyl phosphorothioate|Coumphos|cumafos|Cumafosum|Diethyl 3-chloro-4-methylumbelliferyl thionophosphate|Diethyl thiophosphoric acid ester of 3-chloro-4-methyl-7-hydroxycoumarin|Diethyl-O-(3-chloro-4-methyl-7-coumarinyl) phosphorothioate|Diolice|EINECS 200-285-3|EPA Pesticide Chemical Code 036501|Meldane|Meldone|Muscatox|Muscotox|NCI-C08662|Negashunt|Negasunt|NSC 8944|O-(3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate|O-(3-chlo https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020347 https://doi.org/10.22427/NTP-DATA-DTXSID2020347
ERPathway2016 ERPathway2016_771 Coumaphos 56-72-4 DTXSID2020347 A13 ER Pathway Model, Agonist Model Score 0 Unitless CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2 Coumaphos 56-72-4|Coumaphos|3-Chloro-4-methyl-7-coumarinyl diethyl phosphorothioate|3-Chloro-4-methyl-7-hydroxycoumarin diethyl thiophosphoric acid ester|3-Chloro-4-methylumbelliferone O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-diethoxyphosphinothioyloxy-4-methylcoumarin|3-Chloro-7-hydroxy-4-methyl-coumarin O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-hydroxy-4-methyl-coumarin O,O-diethyl phosphorothioate|4-18-00-00344|Agridip|Asunthol|Asuntol|Azunthol|Bayer 21/199|BRN 0327083|Caswell No. 335|Coumafos|Coumafosum|Coumarin, 3-chloro-7-hydroxy-4-methyl-, O-ester with O,O-diethyl phosphorothioate|Coumphos|cumafos|Cumafosum|Diethyl 3-chloro-4-methylumbelliferyl thionophosphate|Diethyl thiophosphoric acid ester of 3-chloro-4-methyl-7-hydroxycoumarin|Diethyl-O-(3-chloro-4-methyl-7-coumarinyl) phosphorothioate|Diolice|EINECS 200-285-3|EPA Pesticide Chemical Code 036501|Meldane|Meldone|Muscatox|Muscotox|NCI-C08662|Negashunt|Negasunt|NSC 8944|O-(3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate|O-(3-chlo https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020347 https://doi.org/10.22427/NTP-DATA-DTXSID2020347
ERPathway2016 ERPathway2016_771 Coumaphos 56-72-4 DTXSID2020347 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2 Coumaphos 56-72-4|Coumaphos|3-Chloro-4-methyl-7-coumarinyl diethyl phosphorothioate|3-Chloro-4-methyl-7-hydroxycoumarin diethyl thiophosphoric acid ester|3-Chloro-4-methylumbelliferone O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-diethoxyphosphinothioyloxy-4-methylcoumarin|3-Chloro-7-hydroxy-4-methyl-coumarin O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-hydroxy-4-methyl-coumarin O,O-diethyl phosphorothioate|4-18-00-00344|Agridip|Asunthol|Asuntol|Azunthol|Bayer 21/199|BRN 0327083|Caswell No. 335|Coumafos|Coumafosum|Coumarin, 3-chloro-7-hydroxy-4-methyl-, O-ester with O,O-diethyl phosphorothioate|Coumphos|cumafos|Cumafosum|Diethyl 3-chloro-4-methylumbelliferyl thionophosphate|Diethyl thiophosphoric acid ester of 3-chloro-4-methyl-7-hydroxycoumarin|Diethyl-O-(3-chloro-4-methyl-7-coumarinyl) phosphorothioate|Diolice|EINECS 200-285-3|EPA Pesticide Chemical Code 036501|Meldane|Meldone|Muscatox|Muscotox|NCI-C08662|Negashunt|Negasunt|NSC 8944|O-(3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate|O-(3-chlo https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020347 https://doi.org/10.22427/NTP-DATA-DTXSID2020347
ERPathway2016 ERPathway2016_771 Coumaphos 56-72-4 DTXSID2020347 A13 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2 Coumaphos 56-72-4|Coumaphos|3-Chloro-4-methyl-7-coumarinyl diethyl phosphorothioate|3-Chloro-4-methyl-7-hydroxycoumarin diethyl thiophosphoric acid ester|3-Chloro-4-methylumbelliferone O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-diethoxyphosphinothioyloxy-4-methylcoumarin|3-Chloro-7-hydroxy-4-methyl-coumarin O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-hydroxy-4-methyl-coumarin O,O-diethyl phosphorothioate|4-18-00-00344|Agridip|Asunthol|Asuntol|Azunthol|Bayer 21/199|BRN 0327083|Caswell No. 335|Coumafos|Coumafosum|Coumarin, 3-chloro-7-hydroxy-4-methyl-, O-ester with O,O-diethyl phosphorothioate|Coumphos|cumafos|Cumafosum|Diethyl 3-chloro-4-methylumbelliferyl thionophosphate|Diethyl thiophosphoric acid ester of 3-chloro-4-methyl-7-hydroxycoumarin|Diethyl-O-(3-chloro-4-methyl-7-coumarinyl) phosphorothioate|Diolice|EINECS 200-285-3|EPA Pesticide Chemical Code 036501|Meldane|Meldone|Muscatox|Muscotox|NCI-C08662|Negashunt|Negasunt|NSC 8944|O-(3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate|O-(3-chlo https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020347 https://doi.org/10.22427/NTP-DATA-DTXSID2020347
ERPathway2016 ERPathway2016_771 Coumaphos 56-72-4 DTXSID2020347 A13 ER Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2 Coumaphos 56-72-4|Coumaphos|3-Chloro-4-methyl-7-coumarinyl diethyl phosphorothioate|3-Chloro-4-methyl-7-hydroxycoumarin diethyl thiophosphoric acid ester|3-Chloro-4-methylumbelliferone O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-diethoxyphosphinothioyloxy-4-methylcoumarin|3-Chloro-7-hydroxy-4-methyl-coumarin O-ester with O,O-diethyl phosphorothioate|3-Chloro-7-hydroxy-4-methyl-coumarin O,O-diethyl phosphorothioate|4-18-00-00344|Agridip|Asunthol|Asuntol|Azunthol|Bayer 21/199|BRN 0327083|Caswell No. 335|Coumafos|Coumafosum|Coumarin, 3-chloro-7-hydroxy-4-methyl-, O-ester with O,O-diethyl phosphorothioate|Coumphos|cumafos|Cumafosum|Diethyl 3-chloro-4-methylumbelliferyl thionophosphate|Diethyl thiophosphoric acid ester of 3-chloro-4-methyl-7-hydroxycoumarin|Diethyl-O-(3-chloro-4-methyl-7-coumarinyl) phosphorothioate|Diolice|EINECS 200-285-3|EPA Pesticide Chemical Code 036501|Meldane|Meldone|Muscatox|Muscotox|NCI-C08662|Negashunt|Negasunt|NSC 8944|O-(3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl phosphorothioate|O-(3-chlo https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020347 https://doi.org/10.22427/NTP-DATA-DTXSID2020347
ARPathway2016 ARPathway2016_1713 Coumarin 91-64-5 DTXSID7020348 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C1OC2=C(C=CC=C2)C=C1 Coumarin 91-64-5|Coumarin|{2H-Benzo[b]pyran-2-one}|1, 2-Benzopyrone|1,2-Benzopyrone|2-Oxo-1,2-benzopyran|2-Oxo-2H-1-Benzopyran|2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone|2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone|2-Propenoic acid, 3-(2-hydroxyphenyl)-delta-lactone|2H-1-Benzopyran-2-one|2H-1-Benzopyran, 2-oxo-|2H-Benzo(b)pyran-2-one|2H-benzo[b]pyran-2-one|2H-Chromen-2-one|2H-Chromen-2-one (ACD/Name 4.0)|3-(2-Hydroxyphenyl)-2-propenoic delta-lactone|5-17-10-00143|5,6-Benzo-2-pyrone|5,6-Benzo-alpha-pyrone|Benzo-alpha-pyrone|Benzo-a-pyrone|BRN 0383644|Caswell No. 259C|Chromen-2-one|Cinnamic acid, o-hydroxy-, delta-lactone|cis-o-Coumaric acid anhydride|cis-o-Coumarinic acid lactone|Coumarine|Coumarinic anhydride|Coumarinic lactone|Cumarin|cumarina|EINECS 202-086-7|EPA Pesticide Chemical Code 127301|Kumarin|NCI C07103|NSC 8774|o-Coumaric acid lactone|o-hydroxycinnamic acid delta-lactone|o-Hydroxycinnamic acid lactone|O-Hydroxycinnamic lactone|O-Hydroxyzimtsaure-lacton|Tonka bean camphor|UNII-A4VZ22K1WT https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020348 https://doi.org/10.22427/NTP-DATA-DTXSID7020348
ARPathway2016 ARPathway2016_1713 Coumarin 91-64-5 DTXSID7020348 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C1OC2=C(C=CC=C2)C=C1 Coumarin 91-64-5|Coumarin|{2H-Benzo[b]pyran-2-one}|1, 2-Benzopyrone|1,2-Benzopyrone|2-Oxo-1,2-benzopyran|2-Oxo-2H-1-Benzopyran|2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone|2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone|2-Propenoic acid, 3-(2-hydroxyphenyl)-delta-lactone|2H-1-Benzopyran-2-one|2H-1-Benzopyran, 2-oxo-|2H-Benzo(b)pyran-2-one|2H-benzo[b]pyran-2-one|2H-Chromen-2-one|2H-Chromen-2-one (ACD/Name 4.0)|3-(2-Hydroxyphenyl)-2-propenoic delta-lactone|5-17-10-00143|5,6-Benzo-2-pyrone|5,6-Benzo-alpha-pyrone|Benzo-alpha-pyrone|Benzo-a-pyrone|BRN 0383644|Caswell No. 259C|Chromen-2-one|Cinnamic acid, o-hydroxy-, delta-lactone|cis-o-Coumaric acid anhydride|cis-o-Coumarinic acid lactone|Coumarine|Coumarinic anhydride|Coumarinic lactone|Cumarin|cumarina|EINECS 202-086-7|EPA Pesticide Chemical Code 127301|Kumarin|NCI C07103|NSC 8774|o-Coumaric acid lactone|o-hydroxycinnamic acid delta-lactone|o-Hydroxycinnamic acid lactone|O-Hydroxycinnamic lactone|O-Hydroxyzimtsaure-lacton|Tonka bean camphor|UNII-A4VZ22K1WT https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020348 https://doi.org/10.22427/NTP-DATA-DTXSID7020348
ARPathway2016 ARPathway2016_1713 Coumarin 91-64-5 DTXSID7020348 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C1OC2=C(C=CC=C2)C=C1 Coumarin 91-64-5|Coumarin|{2H-Benzo[b]pyran-2-one}|1, 2-Benzopyrone|1,2-Benzopyrone|2-Oxo-1,2-benzopyran|2-Oxo-2H-1-Benzopyran|2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone|2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone|2-Propenoic acid, 3-(2-hydroxyphenyl)-delta-lactone|2H-1-Benzopyran-2-one|2H-1-Benzopyran, 2-oxo-|2H-Benzo(b)pyran-2-one|2H-benzo[b]pyran-2-one|2H-Chromen-2-one|2H-Chromen-2-one (ACD/Name 4.0)|3-(2-Hydroxyphenyl)-2-propenoic delta-lactone|5-17-10-00143|5,6-Benzo-2-pyrone|5,6-Benzo-alpha-pyrone|Benzo-alpha-pyrone|Benzo-a-pyrone|BRN 0383644|Caswell No. 259C|Chromen-2-one|Cinnamic acid, o-hydroxy-, delta-lactone|cis-o-Coumaric acid anhydride|cis-o-Coumarinic acid lactone|Coumarine|Coumarinic anhydride|Coumarinic lactone|Cumarin|cumarina|EINECS 202-086-7|EPA Pesticide Chemical Code 127301|Kumarin|NCI C07103|NSC 8774|o-Coumaric acid lactone|o-hydroxycinnamic acid delta-lactone|o-Hydroxycinnamic acid lactone|O-Hydroxycinnamic lactone|O-Hydroxyzimtsaure-lacton|Tonka bean camphor|UNII-A4VZ22K1WT https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020348 https://doi.org/10.22427/NTP-DATA-DTXSID7020348
ARPathway2016 ARPathway2016_1713 Coumarin 91-64-5 DTXSID7020348 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C1OC2=C(C=CC=C2)C=C1 Coumarin 91-64-5|Coumarin|{2H-Benzo[b]pyran-2-one}|1, 2-Benzopyrone|1,2-Benzopyrone|2-Oxo-1,2-benzopyran|2-Oxo-2H-1-Benzopyran|2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone|2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone|2-Propenoic acid, 3-(2-hydroxyphenyl)-delta-lactone|2H-1-Benzopyran-2-one|2H-1-Benzopyran, 2-oxo-|2H-Benzo(b)pyran-2-one|2H-benzo[b]pyran-2-one|2H-Chromen-2-one|2H-Chromen-2-one (ACD/Name 4.0)|3-(2-Hydroxyphenyl)-2-propenoic delta-lactone|5-17-10-00143|5,6-Benzo-2-pyrone|5,6-Benzo-alpha-pyrone|Benzo-alpha-pyrone|Benzo-a-pyrone|BRN 0383644|Caswell No. 259C|Chromen-2-one|Cinnamic acid, o-hydroxy-, delta-lactone|cis-o-Coumaric acid anhydride|cis-o-Coumarinic acid lactone|Coumarine|Coumarinic anhydride|Coumarinic lactone|Cumarin|cumarina|EINECS 202-086-7|EPA Pesticide Chemical Code 127301|Kumarin|NCI C07103|NSC 8774|o-Coumaric acid lactone|o-hydroxycinnamic acid delta-lactone|o-Hydroxycinnamic acid lactone|O-Hydroxycinnamic lactone|O-Hydroxyzimtsaure-lacton|Tonka bean camphor|UNII-A4VZ22K1WT https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020348 https://doi.org/10.22427/NTP-DATA-DTXSID7020348
ERPathway2016 ERPathway2016_1742 Coumarin 91-64-5 DTXSID7020348 ER Pathway Model, Agonist Model Score 0 Unitless O=C1OC2=C(C=CC=C2)C=C1 Coumarin 91-64-5|Coumarin|{2H-Benzo[b]pyran-2-one}|1, 2-Benzopyrone|1,2-Benzopyrone|2-Oxo-1,2-benzopyran|2-Oxo-2H-1-Benzopyran|2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone|2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone|2-Propenoic acid, 3-(2-hydroxyphenyl)-delta-lactone|2H-1-Benzopyran-2-one|2H-1-Benzopyran, 2-oxo-|2H-Benzo(b)pyran-2-one|2H-benzo[b]pyran-2-one|2H-Chromen-2-one|2H-Chromen-2-one (ACD/Name 4.0)|3-(2-Hydroxyphenyl)-2-propenoic delta-lactone|5-17-10-00143|5,6-Benzo-2-pyrone|5,6-Benzo-alpha-pyrone|Benzo-alpha-pyrone|Benzo-a-pyrone|BRN 0383644|Caswell No. 259C|Chromen-2-one|Cinnamic acid, o-hydroxy-, delta-lactone|cis-o-Coumaric acid anhydride|cis-o-Coumarinic acid lactone|Coumarine|Coumarinic anhydride|Coumarinic lactone|Cumarin|cumarina|EINECS 202-086-7|EPA Pesticide Chemical Code 127301|Kumarin|NCI C07103|NSC 8774|o-Coumaric acid lactone|o-hydroxycinnamic acid delta-lactone|o-Hydroxycinnamic acid lactone|O-Hydroxycinnamic lactone|O-Hydroxyzimtsaure-lacton|Tonka bean camphor|UNII-A4VZ22K1WT https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020348 https://doi.org/10.22427/NTP-DATA-DTXSID7020348
ERPathway2016 ERPathway2016_1742 Coumarin 91-64-5 DTXSID7020348 ER Pathway Model, Antagonist Model Score 0 Unitless O=C1OC2=C(C=CC=C2)C=C1 Coumarin 91-64-5|Coumarin|{2H-Benzo[b]pyran-2-one}|1, 2-Benzopyrone|1,2-Benzopyrone|2-Oxo-1,2-benzopyran|2-Oxo-2H-1-Benzopyran|2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone|2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone|2-Propenoic acid, 3-(2-hydroxyphenyl)-delta-lactone|2H-1-Benzopyran-2-one|2H-1-Benzopyran, 2-oxo-|2H-Benzo(b)pyran-2-one|2H-benzo[b]pyran-2-one|2H-Chromen-2-one|2H-Chromen-2-one (ACD/Name 4.0)|3-(2-Hydroxyphenyl)-2-propenoic delta-lactone|5-17-10-00143|5,6-Benzo-2-pyrone|5,6-Benzo-alpha-pyrone|Benzo-alpha-pyrone|Benzo-a-pyrone|BRN 0383644|Caswell No. 259C|Chromen-2-one|Cinnamic acid, o-hydroxy-, delta-lactone|cis-o-Coumaric acid anhydride|cis-o-Coumarinic acid lactone|Coumarine|Coumarinic anhydride|Coumarinic lactone|Cumarin|cumarina|EINECS 202-086-7|EPA Pesticide Chemical Code 127301|Kumarin|NCI C07103|NSC 8774|o-Coumaric acid lactone|o-hydroxycinnamic acid delta-lactone|o-Hydroxycinnamic acid lactone|O-Hydroxycinnamic lactone|O-Hydroxyzimtsaure-lacton|Tonka bean camphor|UNII-A4VZ22K1WT https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020348 https://doi.org/10.22427/NTP-DATA-DTXSID7020348
ERPathway2016 ERPathway2016_1742 Coumarin 91-64-5 DTXSID7020348 ER Pathway Model, Agonist Call Inactive Unitless O=C1OC2=C(C=CC=C2)C=C1 Coumarin 91-64-5|Coumarin|{2H-Benzo[b]pyran-2-one}|1, 2-Benzopyrone|1,2-Benzopyrone|2-Oxo-1,2-benzopyran|2-Oxo-2H-1-Benzopyran|2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone|2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone|2-Propenoic acid, 3-(2-hydroxyphenyl)-delta-lactone|2H-1-Benzopyran-2-one|2H-1-Benzopyran, 2-oxo-|2H-Benzo(b)pyran-2-one|2H-benzo[b]pyran-2-one|2H-Chromen-2-one|2H-Chromen-2-one (ACD/Name 4.0)|3-(2-Hydroxyphenyl)-2-propenoic delta-lactone|5-17-10-00143|5,6-Benzo-2-pyrone|5,6-Benzo-alpha-pyrone|Benzo-alpha-pyrone|Benzo-a-pyrone|BRN 0383644|Caswell No. 259C|Chromen-2-one|Cinnamic acid, o-hydroxy-, delta-lactone|cis-o-Coumaric acid anhydride|cis-o-Coumarinic acid lactone|Coumarine|Coumarinic anhydride|Coumarinic lactone|Cumarin|cumarina|EINECS 202-086-7|EPA Pesticide Chemical Code 127301|Kumarin|NCI C07103|NSC 8774|o-Coumaric acid lactone|o-hydroxycinnamic acid delta-lactone|o-Hydroxycinnamic acid lactone|O-Hydroxycinnamic lactone|O-Hydroxyzimtsaure-lacton|Tonka bean camphor|UNII-A4VZ22K1WT https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020348 https://doi.org/10.22427/NTP-DATA-DTXSID7020348
ERPathway2016 ERPathway2016_1742 Coumarin 91-64-5 DTXSID7020348 ER Pathway Model, Antagonist Call Inactive Unitless O=C1OC2=C(C=CC=C2)C=C1 Coumarin 91-64-5|Coumarin|{2H-Benzo[b]pyran-2-one}|1, 2-Benzopyrone|1,2-Benzopyrone|2-Oxo-1,2-benzopyran|2-Oxo-2H-1-Benzopyran|2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone|2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone|2-Propenoic acid, 3-(2-hydroxyphenyl)-delta-lactone|2H-1-Benzopyran-2-one|2H-1-Benzopyran, 2-oxo-|2H-Benzo(b)pyran-2-one|2H-benzo[b]pyran-2-one|2H-Chromen-2-one|2H-Chromen-2-one (ACD/Name 4.0)|3-(2-Hydroxyphenyl)-2-propenoic delta-lactone|5-17-10-00143|5,6-Benzo-2-pyrone|5,6-Benzo-alpha-pyrone|Benzo-alpha-pyrone|Benzo-a-pyrone|BRN 0383644|Caswell No. 259C|Chromen-2-one|Cinnamic acid, o-hydroxy-, delta-lactone|cis-o-Coumaric acid anhydride|cis-o-Coumarinic acid lactone|Coumarine|Coumarinic anhydride|Coumarinic lactone|Cumarin|cumarina|EINECS 202-086-7|EPA Pesticide Chemical Code 127301|Kumarin|NCI C07103|NSC 8774|o-Coumaric acid lactone|o-hydroxycinnamic acid delta-lactone|o-Hydroxycinnamic acid lactone|O-Hydroxycinnamic lactone|O-Hydroxyzimtsaure-lacton|Tonka bean camphor|UNII-A4VZ22K1WT https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020348 https://doi.org/10.22427/NTP-DATA-DTXSID7020348
ARPathway2016 ARPathway2016_62 CP-085958 134002-60-1 DTXSID5047297 1.0 AR Pathway Model, Agonist AC50 31.09516008 uM O[C@@H]1[C@H](CC2=CC=CC(=C2)C(O)=O)COC2=C1C=C(OCC1=NC3=C(S1)C=CC(F)=C3)C=C2 CP-085958 134002-60-1|CP-085958 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047297
ARPathway2016 ARPathway2016_62 CP-085958 134002-60-1 DTXSID5047297 1.0 AR Pathway Model, Agonist ACC 35.16789113 uM O[C@@H]1[C@H](CC2=CC=CC(=C2)C(O)=O)COC2=C1C=C(OCC1=NC3=C(S1)C=CC(F)=C3)C=C2 CP-085958 134002-60-1|CP-085958 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047297
ARPathway2016 ARPathway2016_62 CP-085958 134002-60-1 DTXSID5047297 1.0 AR Pathway Model, Antagonist Model Score 0.0315 Unitless O[C@@H]1[C@H](CC2=CC=CC(=C2)C(O)=O)COC2=C1C=C(OCC1=NC3=C(S1)C=CC(F)=C3)C=C2 CP-085958 134002-60-1|CP-085958 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047297
ARPathway2016 ARPathway2016_62 CP-085958 134002-60-1 DTXSID5047297 1.0 AR Pathway Model, Agonist Model Score 0.0157 Unitless O[C@@H]1[C@H](CC2=CC=CC(=C2)C(O)=O)COC2=C1C=C(OCC1=NC3=C(S1)C=CC(F)=C3)C=C2 CP-085958 134002-60-1|CP-085958 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047297
ARPathway2016 ARPathway2016_62 CP-085958 134002-60-1 DTXSID5047297 1.0 AR Pathway Model, Agonist Call Active Unitless O[C@@H]1[C@H](CC2=CC=CC(=C2)C(O)=O)COC2=C1C=C(OCC1=NC3=C(S1)C=CC(F)=C3)C=C2 CP-085958 134002-60-1|CP-085958 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047297
ARPathway2016 ARPathway2016_62 CP-085958 134002-60-1 DTXSID5047297 1.0 AR Pathway Model, Antagonist Call Inactive Unitless O[C@@H]1[C@H](CC2=CC=CC(=C2)C(O)=O)COC2=C1C=C(OCC1=NC3=C(S1)C=CC(F)=C3)C=C2 CP-085958 134002-60-1|CP-085958 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047297
ERPathway2016 ERPathway2016_1278 CP-085958 134002-60-1 DTXSID5047297 ER Pathway Model, Agonist Model Score 0 Unitless O[C@@H]1[C@H](CC2=CC=CC(=C2)C(O)=O)COC2=C1C=C(OCC1=NC3=C(S1)C=CC(F)=C3)C=C2 CP-085958 134002-60-1|CP-085958 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047297
ERPathway2016 ERPathway2016_1278 CP-085958 134002-60-1 DTXSID5047297 ER Pathway Model, Antagonist Model Score 0 Unitless O[C@@H]1[C@H](CC2=CC=CC(=C2)C(O)=O)COC2=C1C=C(OCC1=NC3=C(S1)C=CC(F)=C3)C=C2 CP-085958 134002-60-1|CP-085958 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047297
ERPathway2016 ERPathway2016_1278 CP-085958 134002-60-1 DTXSID5047297 ER Pathway Model, Agonist Call Inactive Unitless O[C@@H]1[C@H](CC2=CC=CC(=C2)C(O)=O)COC2=C1C=C(OCC1=NC3=C(S1)C=CC(F)=C3)C=C2 CP-085958 134002-60-1|CP-085958 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047297
ERPathway2016 ERPathway2016_1278 CP-085958 134002-60-1 DTXSID5047297 ER Pathway Model, Antagonist Call Inactive Unitless O[C@@H]1[C@H](CC2=CC=CC(=C2)C(O)=O)COC2=C1C=C(OCC1=NC3=C(S1)C=CC(F)=C3)C=C2 CP-085958 134002-60-1|CP-085958 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047297
ARPathway2016 ARPathway2016_65 CP-100829 135080-03-4 DTXSID7047304 1.0 Antagonist AR Pathway Model, Agonist AC50 23.6996799509425 uM NC(=O)N1C(=O)C(C(=O)C2=CC(Cl)=CS2)C2=C1C=C(Cl)C(F)=C2 CP-100829 135080-03-4|CP-100829 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047304
ARPathway2016 ARPathway2016_65 CP-100829 135080-03-4 DTXSID7047304 1.0 Antagonist AR Pathway Model, Agonist ACC 11.5726075008281 uM NC(=O)N1C(=O)C(C(=O)C2=CC(Cl)=CS2)C2=C1C=C(Cl)C(F)=C2 CP-100829 135080-03-4|CP-100829 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047304
ARPathway2016 ARPathway2016_65 CP-100829 135080-03-4 DTXSID7047304 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.063 Unitless NC(=O)N1C(=O)C(C(=O)C2=CC(Cl)=CS2)C2=C1C=C(Cl)C(F)=C2 CP-100829 135080-03-4|CP-100829 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047304
ARPathway2016 ARPathway2016_65 CP-100829 135080-03-4 DTXSID7047304 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless NC(=O)N1C(=O)C(C(=O)C2=CC(Cl)=CS2)C2=C1C=C(Cl)C(F)=C2 CP-100829 135080-03-4|CP-100829 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047304
ARPathway2016 ARPathway2016_65 CP-100829 135080-03-4 DTXSID7047304 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless NC(=O)N1C(=O)C(C(=O)C2=CC(Cl)=CS2)C2=C1C=C(Cl)C(F)=C2 CP-100829 135080-03-4|CP-100829 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047304
ARPathway2016 ARPathway2016_65 CP-100829 135080-03-4 DTXSID7047304 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless NC(=O)N1C(=O)C(C(=O)C2=CC(Cl)=CS2)C2=C1C=C(Cl)C(F)=C2 CP-100829 135080-03-4|CP-100829 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047304
ERPathway2016 ERPathway2016_131 CP-100829 135080-03-4 DTXSID7047304 ER Pathway Model, Agonist AC50 24.6861705833207 uM NC(=O)N1C(=O)C(C(=O)C2=CC(Cl)=CS2)C2=C1C=C(Cl)C(F)=C2 CP-100829 135080-03-4|CP-100829 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047304
ERPathway2016 ERPathway2016_131 CP-100829 135080-03-4 DTXSID7047304 ER Pathway Model, Agonist ACC 23.8147913894063 uM NC(=O)N1C(=O)C(C(=O)C2=CC(Cl)=CS2)C2=C1C=C(Cl)C(F)=C2 CP-100829 135080-03-4|CP-100829 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047304
ERPathway2016 ERPathway2016_131 CP-100829 135080-03-4 DTXSID7047304 ER Pathway Model, Agonist Model Score 0 Unitless NC(=O)N1C(=O)C(C(=O)C2=CC(Cl)=CS2)C2=C1C=C(Cl)C(F)=C2 CP-100829 135080-03-4|CP-100829 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047304
ERPathway2016 ERPathway2016_131 CP-100829 135080-03-4 DTXSID7047304 ER Pathway Model, Antagonist Model Score 0.0184 Unitless NC(=O)N1C(=O)C(C(=O)C2=CC(Cl)=CS2)C2=C1C=C(Cl)C(F)=C2 CP-100829 135080-03-4|CP-100829 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047304
ERPathway2016 ERPathway2016_131 CP-100829 135080-03-4 DTXSID7047304 ER Pathway Model, Agonist Call Active Unitless NC(=O)N1C(=O)C(C(=O)C2=CC(Cl)=CS2)C2=C1C=C(Cl)C(F)=C2 CP-100829 135080-03-4|CP-100829 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047304
ERPathway2016 ERPathway2016_131 CP-100829 135080-03-4 DTXSID7047304 ER Pathway Model, Antagonist Call Inactive Unitless NC(=O)N1C(=O)C(C(=O)C2=CC(Cl)=CS2)C2=C1C=C(Cl)C(F)=C2 CP-100829 135080-03-4|CP-100829 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047304
ARPathway2016 ARPathway2016_86 CP-105696 158081-99-3 DTXSID7047308 FLAG: Wrong direction (Hit/No hit) 0.0 A5 AR Pathway Model, Agonist AC50 49.5239754135723 uM O[C@@H]1[C@@H](CC2=CC=C(C=C2)C2=CC=CC=C2)COC2=C1C=CC(=C2)C1(CCCC1)C(O)=O CP-105696 158081-99-3|CP-105696|186912-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047308
ARPathway2016 ARPathway2016_86 CP-105696 158081-99-3 DTXSID7047308 FLAG: Wrong direction (Hit/No hit) 0.0 A5 AR Pathway Model, Agonist ACC 83.9276372132882 uM O[C@@H]1[C@@H](CC2=CC=C(C=C2)C2=CC=CC=C2)COC2=C1C=CC(=C2)C1(CCCC1)C(O)=O CP-105696 158081-99-3|CP-105696|186912-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047308
ARPathway2016 ARPathway2016_86 CP-105696 158081-99-3 DTXSID7047308 FLAG: Wrong direction (Hit/No hit) 0.0 A5 AR Pathway Model, Antagonist Model Score 0.0235 Unitless O[C@@H]1[C@@H](CC2=CC=C(C=C2)C2=CC=CC=C2)COC2=C1C=CC(=C2)C1(CCCC1)C(O)=O CP-105696 158081-99-3|CP-105696|186912-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047308
ARPathway2016 ARPathway2016_86 CP-105696 158081-99-3 DTXSID7047308 FLAG: Wrong direction (Hit/No hit) 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless O[C@@H]1[C@@H](CC2=CC=C(C=C2)C2=CC=CC=C2)COC2=C1C=CC(=C2)C1(CCCC1)C(O)=O CP-105696 158081-99-3|CP-105696|186912-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047308
ARPathway2016 ARPathway2016_86 CP-105696 158081-99-3 DTXSID7047308 FLAG: Wrong direction (Hit/No hit) 0.0 A5 AR Pathway Model, Agonist Call Active Unitless O[C@@H]1[C@@H](CC2=CC=C(C=C2)C2=CC=CC=C2)COC2=C1C=CC(=C2)C1(CCCC1)C(O)=O CP-105696 158081-99-3|CP-105696|186912-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047308
ARPathway2016 ARPathway2016_86 CP-105696 158081-99-3 DTXSID7047308 FLAG: Wrong direction (Hit/No hit) 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless O[C@@H]1[C@@H](CC2=CC=C(C=C2)C2=CC=CC=C2)COC2=C1C=CC(=C2)C1(CCCC1)C(O)=O CP-105696 158081-99-3|CP-105696|186912-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047308
ERPathway2016 ERPathway2016_129 CP-105696 158081-99-3 DTXSID7047308 A3 ER Pathway Model, Agonist AC50 3.07421793643773 uM O[C@@H]1[C@@H](CC2=CC=C(C=C2)C2=CC=CC=C2)COC2=C1C=CC(=C2)C1(CCCC1)C(O)=O CP-105696 158081-99-3|CP-105696|186912-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047308
ERPathway2016 ERPathway2016_129 CP-105696 158081-99-3 DTXSID7047308 A3 ER Pathway Model, Agonist ACC 2.31177795099962 uM O[C@@H]1[C@@H](CC2=CC=C(C=C2)C2=CC=CC=C2)COC2=C1C=CC(=C2)C1(CCCC1)C(O)=O CP-105696 158081-99-3|CP-105696|186912-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047308
ERPathway2016 ERPathway2016_129 CP-105696 158081-99-3 DTXSID7047308 A3 ER Pathway Model, Agonist Model Score 0 Unitless O[C@@H]1[C@@H](CC2=CC=C(C=C2)C2=CC=CC=C2)COC2=C1C=CC(=C2)C1(CCCC1)C(O)=O CP-105696 158081-99-3|CP-105696|186912-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047308
ERPathway2016 ERPathway2016_129 CP-105696 158081-99-3 DTXSID7047308 A3 ER Pathway Model, Antagonist Model Score 0.0249 Unitless O[C@@H]1[C@@H](CC2=CC=C(C=C2)C2=CC=CC=C2)COC2=C1C=CC(=C2)C1(CCCC1)C(O)=O CP-105696 158081-99-3|CP-105696|186912-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047308
ERPathway2016 ERPathway2016_129 CP-105696 158081-99-3 DTXSID7047308 A3 ER Pathway Model, Agonist Call Active Unitless O[C@@H]1[C@@H](CC2=CC=C(C=C2)C2=CC=CC=C2)COC2=C1C=CC(=C2)C1(CCCC1)C(O)=O CP-105696 158081-99-3|CP-105696|186912-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047308
ERPathway2016 ERPathway2016_129 CP-105696 158081-99-3 DTXSID7047308 A3 ER Pathway Model, Antagonist Call Inactive Unitless O[C@@H]1[C@@H](CC2=CC=C(C=C2)C2=CC=CC=C2)COC2=C1C=CC(=C2)C1(CCCC1)C(O)=O CP-105696 158081-99-3|CP-105696|186912-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047308
ARPathway2016 ARPathway2016_621 CP-114271 113734-18-2 DTXSID2047274 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(CC1=CC=C(OCC(O)=O)C=C1)NCC(O)C1=CSC(=N1)C(F)(F)F CP-114271 113734-18-2|CP-114271 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047274
ARPathway2016 ARPathway2016_621 CP-114271 113734-18-2 DTXSID2047274 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(CC1=CC=C(OCC(O)=O)C=C1)NCC(O)C1=CSC(=N1)C(F)(F)F CP-114271 113734-18-2|CP-114271 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047274
ARPathway2016 ARPathway2016_621 CP-114271 113734-18-2 DTXSID2047274 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(CC1=CC=C(OCC(O)=O)C=C1)NCC(O)C1=CSC(=N1)C(F)(F)F CP-114271 113734-18-2|CP-114271 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047274
ARPathway2016 ARPathway2016_621 CP-114271 113734-18-2 DTXSID2047274 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(CC1=CC=C(OCC(O)=O)C=C1)NCC(O)C1=CSC(=N1)C(F)(F)F CP-114271 113734-18-2|CP-114271 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047274
ERPathway2016 ERPathway2016_1183 CP-114271 113734-18-2 DTXSID2047274 ER Pathway Model, Agonist Model Score 0 Unitless CC(CC1=CC=C(OCC(O)=O)C=C1)NCC(O)C1=CSC(=N1)C(F)(F)F CP-114271 113734-18-2|CP-114271 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047274
ERPathway2016 ERPathway2016_1183 CP-114271 113734-18-2 DTXSID2047274 ER Pathway Model, Antagonist Model Score 0 Unitless CC(CC1=CC=C(OCC(O)=O)C=C1)NCC(O)C1=CSC(=N1)C(F)(F)F CP-114271 113734-18-2|CP-114271 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047274
ERPathway2016 ERPathway2016_1183 CP-114271 113734-18-2 DTXSID2047274 ER Pathway Model, Agonist Call Inactive Unitless CC(CC1=CC=C(OCC(O)=O)C=C1)NCC(O)C1=CSC(=N1)C(F)(F)F CP-114271 113734-18-2|CP-114271 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047274
ERPathway2016 ERPathway2016_1183 CP-114271 113734-18-2 DTXSID2047274 ER Pathway Model, Antagonist Call Inactive Unitless CC(CC1=CC=C(OCC(O)=O)C=C1)NCC(O)C1=CSC(=N1)C(F)(F)F CP-114271 113734-18-2|CP-114271 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047274
ARPathway2016 ARPathway2016_76 CP-122721 145742-28-5 DTXSID9047251 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 39.7484356530569 uM COC1=C(CN[C@H]2CCCN[C@H]2C2=CC=CC=C2)C=C(OC(F)(F)F)C=C1 CP-122721 145742-28-5|CP-122721|( )-(2S,3S)-3-(2-Methoxy-5-trifluoromethoxybenzyl)amino-2- phenylpiperidine|(+)-CP 122721|(2S,3S)-N-[2-Methoxy-5-(trifluoromethoxy)benzyl]-2-phenylpiperidin-3-amine|3-Piperidinamine, N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-, (2S,3S)-|CP 122721|UNII-R7OYP6N58F https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047251
ARPathway2016 ARPathway2016_76 CP-122721 145742-28-5 DTXSID9047251 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 37.5497719338473 uM COC1=C(CN[C@H]2CCCN[C@H]2C2=CC=CC=C2)C=C(OC(F)(F)F)C=C1 CP-122721 145742-28-5|CP-122721|( )-(2S,3S)-3-(2-Methoxy-5-trifluoromethoxybenzyl)amino-2- phenylpiperidine|(+)-CP 122721|(2S,3S)-N-[2-Methoxy-5-(trifluoromethoxy)benzyl]-2-phenylpiperidin-3-amine|3-Piperidinamine, N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-, (2S,3S)-|CP 122721|UNII-R7OYP6N58F https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047251
ARPathway2016 ARPathway2016_76 CP-122721 145742-28-5 DTXSID9047251 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.148 Unitless COC1=C(CN[C@H]2CCCN[C@H]2C2=CC=CC=C2)C=C(OC(F)(F)F)C=C1 CP-122721 145742-28-5|CP-122721|( )-(2S,3S)-3-(2-Methoxy-5-trifluoromethoxybenzyl)amino-2- phenylpiperidine|(+)-CP 122721|(2S,3S)-N-[2-Methoxy-5-(trifluoromethoxy)benzyl]-2-phenylpiperidin-3-amine|3-Piperidinamine, N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-, (2S,3S)-|CP 122721|UNII-R7OYP6N58F https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047251
ARPathway2016 ARPathway2016_76 CP-122721 145742-28-5 DTXSID9047251 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless COC1=C(CN[C@H]2CCCN[C@H]2C2=CC=CC=C2)C=C(OC(F)(F)F)C=C1 CP-122721 145742-28-5|CP-122721|( )-(2S,3S)-3-(2-Methoxy-5-trifluoromethoxybenzyl)amino-2- phenylpiperidine|(+)-CP 122721|(2S,3S)-N-[2-Methoxy-5-(trifluoromethoxy)benzyl]-2-phenylpiperidin-3-amine|3-Piperidinamine, N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-, (2S,3S)-|CP 122721|UNII-R7OYP6N58F https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047251
ARPathway2016 ARPathway2016_76 CP-122721 145742-28-5 DTXSID9047251 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless COC1=C(CN[C@H]2CCCN[C@H]2C2=CC=CC=C2)C=C(OC(F)(F)F)C=C1 CP-122721 145742-28-5|CP-122721|( )-(2S,3S)-3-(2-Methoxy-5-trifluoromethoxybenzyl)amino-2- phenylpiperidine|(+)-CP 122721|(2S,3S)-N-[2-Methoxy-5-(trifluoromethoxy)benzyl]-2-phenylpiperidin-3-amine|3-Piperidinamine, N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-, (2S,3S)-|CP 122721|UNII-R7OYP6N58F https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047251
ARPathway2016 ARPathway2016_76 CP-122721 145742-28-5 DTXSID9047251 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless COC1=C(CN[C@H]2CCCN[C@H]2C2=CC=CC=C2)C=C(OC(F)(F)F)C=C1 CP-122721 145742-28-5|CP-122721|( )-(2S,3S)-3-(2-Methoxy-5-trifluoromethoxybenzyl)amino-2- phenylpiperidine|(+)-CP 122721|(2S,3S)-N-[2-Methoxy-5-(trifluoromethoxy)benzyl]-2-phenylpiperidin-3-amine|3-Piperidinamine, N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-, (2S,3S)-|CP 122721|UNII-R7OYP6N58F https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047251
ERPathway2016 ERPathway2016_986 CP-122721 145742-28-5 DTXSID9047251 ER Pathway Model, Agonist Model Score 0 Unitless COC1=C(CN[C@H]2CCCN[C@H]2C2=CC=CC=C2)C=C(OC(F)(F)F)C=C1 CP-122721 145742-28-5|CP-122721|( )-(2S,3S)-3-(2-Methoxy-5-trifluoromethoxybenzyl)amino-2- phenylpiperidine|(+)-CP 122721|(2S,3S)-N-[2-Methoxy-5-(trifluoromethoxy)benzyl]-2-phenylpiperidin-3-amine|3-Piperidinamine, N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-, (2S,3S)-|CP 122721|UNII-R7OYP6N58F https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047251
ERPathway2016 ERPathway2016_986 CP-122721 145742-28-5 DTXSID9047251 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=C(CN[C@H]2CCCN[C@H]2C2=CC=CC=C2)C=C(OC(F)(F)F)C=C1 CP-122721 145742-28-5|CP-122721|( )-(2S,3S)-3-(2-Methoxy-5-trifluoromethoxybenzyl)amino-2- phenylpiperidine|(+)-CP 122721|(2S,3S)-N-[2-Methoxy-5-(trifluoromethoxy)benzyl]-2-phenylpiperidin-3-amine|3-Piperidinamine, N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-, (2S,3S)-|CP 122721|UNII-R7OYP6N58F https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047251
ERPathway2016 ERPathway2016_986 CP-122721 145742-28-5 DTXSID9047251 ER Pathway Model, Agonist Call Inactive Unitless COC1=C(CN[C@H]2CCCN[C@H]2C2=CC=CC=C2)C=C(OC(F)(F)F)C=C1 CP-122721 145742-28-5|CP-122721|( )-(2S,3S)-3-(2-Methoxy-5-trifluoromethoxybenzyl)amino-2- phenylpiperidine|(+)-CP 122721|(2S,3S)-N-[2-Methoxy-5-(trifluoromethoxy)benzyl]-2-phenylpiperidin-3-amine|3-Piperidinamine, N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-, (2S,3S)-|CP 122721|UNII-R7OYP6N58F https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047251
ERPathway2016 ERPathway2016_986 CP-122721 145742-28-5 DTXSID9047251 ER Pathway Model, Antagonist Call Inactive Unitless COC1=C(CN[C@H]2CCCN[C@H]2C2=CC=CC=C2)C=C(OC(F)(F)F)C=C1 CP-122721 145742-28-5|CP-122721|( )-(2S,3S)-3-(2-Methoxy-5-trifluoromethoxybenzyl)amino-2- phenylpiperidine|(+)-CP 122721|(2S,3S)-N-[2-Methoxy-5-(trifluoromethoxy)benzyl]-2-phenylpiperidin-3-amine|3-Piperidinamine, N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-, (2S,3S)-|CP 122721|UNII-R7OYP6N58F https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047251
ARPathway2016 ARPathway2016_933 CP-283097 171866-31-2 DTXSID8047264 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O[C@@H]1[C@@H](COC2=CC(O)=CC=C12)N1CCC(O)(CC1)C1=CC=C(F)C=C1 CP-283097 171866-31-2|CP-283097 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047264
ARPathway2016 ARPathway2016_933 CP-283097 171866-31-2 DTXSID8047264 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O[C@@H]1[C@@H](COC2=CC(O)=CC=C12)N1CCC(O)(CC1)C1=CC=C(F)C=C1 CP-283097 171866-31-2|CP-283097 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047264
ARPathway2016 ARPathway2016_933 CP-283097 171866-31-2 DTXSID8047264 0.0 AR Pathway Model, Agonist Call Inactive Unitless O[C@@H]1[C@@H](COC2=CC(O)=CC=C12)N1CCC(O)(CC1)C1=CC=C(F)C=C1 CP-283097 171866-31-2|CP-283097 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047264
ARPathway2016 ARPathway2016_933 CP-283097 171866-31-2 DTXSID8047264 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O[C@@H]1[C@@H](COC2=CC(O)=CC=C12)N1CCC(O)(CC1)C1=CC=C(F)C=C1 CP-283097 171866-31-2|CP-283097 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047264
ERPathway2016 ERPathway2016_333 CP-283097 171866-31-2 DTXSID8047264 A15 ER Pathway Model, Antagonist AC50 3.80660918748284 uM O[C@@H]1[C@@H](COC2=CC(O)=CC=C12)N1CCC(O)(CC1)C1=CC=C(F)C=C1 CP-283097 171866-31-2|CP-283097 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047264
ERPathway2016 ERPathway2016_333 CP-283097 171866-31-2 DTXSID8047264 A15 ER Pathway Model, Antagonist ACC 9.34816899984919 uM O[C@@H]1[C@@H](COC2=CC(O)=CC=C12)N1CCC(O)(CC1)C1=CC=C(F)C=C1 CP-283097 171866-31-2|CP-283097 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047264
ERPathway2016 ERPathway2016_333 CP-283097 171866-31-2 DTXSID8047264 A15 ER Pathway Model, Agonist Model Score 0.0212 Unitless O[C@@H]1[C@@H](COC2=CC(O)=CC=C12)N1CCC(O)(CC1)C1=CC=C(F)C=C1 CP-283097 171866-31-2|CP-283097 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047264
ERPathway2016 ERPathway2016_333 CP-283097 171866-31-2 DTXSID8047264 A15 ER Pathway Model, Antagonist Model Score 0 Unitless O[C@@H]1[C@@H](COC2=CC(O)=CC=C12)N1CCC(O)(CC1)C1=CC=C(F)C=C1 CP-283097 171866-31-2|CP-283097 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047264
ERPathway2016 ERPathway2016_333 CP-283097 171866-31-2 DTXSID8047264 A15 ER Pathway Model, Agonist Call Inactive Unitless O[C@@H]1[C@@H](COC2=CC(O)=CC=C12)N1CCC(O)(CC1)C1=CC=C(F)C=C1 CP-283097 171866-31-2|CP-283097 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047264
ERPathway2016 ERPathway2016_333 CP-283097 171866-31-2 DTXSID8047264 A15 ER Pathway Model, Antagonist Call Active Unitless O[C@@H]1[C@@H](COC2=CC(O)=CC=C12)N1CCC(O)(CC1)C1=CC=C(F)C=C1 CP-283097 171866-31-2|CP-283097 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047264
ARPathway2016 ARPathway2016_106 CP-401387 199171-88-5 DTXSID9047253 1.0 A10 AR Pathway Model, Agonist AC50 22.504480834483 uM CCC1=NN(C2CCCCC2)C2=C1C=CC(=C2)[C@]1(CC[C@@H](CC1)C(O)=O)C#N CP-401387 199171-88-5|CP-401387|cis-4-Cyano-4-(1-cyclohexyl-3-ethyl-1H-indazol-6-yl)cyclohexanecarboxylic acid|Cyclohexanecarboxyli c acid, 4- cyano- 4- (1- cyclohexyl- 3- ethyl- 1H- indazol- 6- yl) - , cis- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047253
ARPathway2016 ARPathway2016_106 CP-401387 199171-88-5 DTXSID9047253 1.0 A10 AR Pathway Model, Agonist ACC 22.2863862443036 uM CCC1=NN(C2CCCCC2)C2=C1C=CC(=C2)[C@]1(CC[C@@H](CC1)C(O)=O)C#N CP-401387 199171-88-5|CP-401387|cis-4-Cyano-4-(1-cyclohexyl-3-ethyl-1H-indazol-6-yl)cyclohexanecarboxylic acid|Cyclohexanecarboxyli c acid, 4- cyano- 4- (1- cyclohexyl- 3- ethyl- 1H- indazol- 6- yl) - , cis- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047253
ARPathway2016 ARPathway2016_106 CP-401387 199171-88-5 DTXSID9047253 1.0 A10 AR Pathway Model, Antagonist Model Score 0.0331 Unitless CCC1=NN(C2CCCCC2)C2=C1C=CC(=C2)[C@]1(CC[C@@H](CC1)C(O)=O)C#N CP-401387 199171-88-5|CP-401387|cis-4-Cyano-4-(1-cyclohexyl-3-ethyl-1H-indazol-6-yl)cyclohexanecarboxylic acid|Cyclohexanecarboxyli c acid, 4- cyano- 4- (1- cyclohexyl- 3- ethyl- 1H- indazol- 6- yl) - , cis- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047253
ARPathway2016 ARPathway2016_106 CP-401387 199171-88-5 DTXSID9047253 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CCC1=NN(C2CCCCC2)C2=C1C=CC(=C2)[C@]1(CC[C@@H](CC1)C(O)=O)C#N CP-401387 199171-88-5|CP-401387|cis-4-Cyano-4-(1-cyclohexyl-3-ethyl-1H-indazol-6-yl)cyclohexanecarboxylic acid|Cyclohexanecarboxyli c acid, 4- cyano- 4- (1- cyclohexyl- 3- ethyl- 1H- indazol- 6- yl) - , cis- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047253
ARPathway2016 ARPathway2016_106 CP-401387 199171-88-5 DTXSID9047253 1.0 A10 AR Pathway Model, Agonist Call Active Unitless CCC1=NN(C2CCCCC2)C2=C1C=CC(=C2)[C@]1(CC[C@@H](CC1)C(O)=O)C#N CP-401387 199171-88-5|CP-401387|cis-4-Cyano-4-(1-cyclohexyl-3-ethyl-1H-indazol-6-yl)cyclohexanecarboxylic acid|Cyclohexanecarboxyli c acid, 4- cyano- 4- (1- cyclohexyl- 3- ethyl- 1H- indazol- 6- yl) - , cis- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047253
ARPathway2016 ARPathway2016_106 CP-401387 199171-88-5 DTXSID9047253 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CCC1=NN(C2CCCCC2)C2=C1C=CC(=C2)[C@]1(CC[C@@H](CC1)C(O)=O)C#N CP-401387 199171-88-5|CP-401387|cis-4-Cyano-4-(1-cyclohexyl-3-ethyl-1H-indazol-6-yl)cyclohexanecarboxylic acid|Cyclohexanecarboxyli c acid, 4- cyano- 4- (1- cyclohexyl- 3- ethyl- 1H- indazol- 6- yl) - , cis- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047253
ERPathway2016 ERPathway2016_608 CP-401387 199171-88-5 DTXSID9047253 A17 ER Pathway Model, Agonist Model Score 0 Unitless CCC1=NN(C2CCCCC2)C2=C1C=CC(=C2)[C@]1(CC[C@@H](CC1)C(O)=O)C#N CP-401387 199171-88-5|CP-401387|cis-4-Cyano-4-(1-cyclohexyl-3-ethyl-1H-indazol-6-yl)cyclohexanecarboxylic acid|Cyclohexanecarboxyli c acid, 4- cyano- 4- (1- cyclohexyl- 3- ethyl- 1H- indazol- 6- yl) - , cis- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047253
ERPathway2016 ERPathway2016_608 CP-401387 199171-88-5 DTXSID9047253 A17 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=NN(C2CCCCC2)C2=C1C=CC(=C2)[C@]1(CC[C@@H](CC1)C(O)=O)C#N CP-401387 199171-88-5|CP-401387|cis-4-Cyano-4-(1-cyclohexyl-3-ethyl-1H-indazol-6-yl)cyclohexanecarboxylic acid|Cyclohexanecarboxyli c acid, 4- cyano- 4- (1- cyclohexyl- 3- ethyl- 1H- indazol- 6- yl) - , cis- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047253
ERPathway2016 ERPathway2016_608 CP-401387 199171-88-5 DTXSID9047253 A17 ER Pathway Model, Agonist Call Inactive Unitless CCC1=NN(C2CCCCC2)C2=C1C=CC(=C2)[C@]1(CC[C@@H](CC1)C(O)=O)C#N CP-401387 199171-88-5|CP-401387|cis-4-Cyano-4-(1-cyclohexyl-3-ethyl-1H-indazol-6-yl)cyclohexanecarboxylic acid|Cyclohexanecarboxyli c acid, 4- cyano- 4- (1- cyclohexyl- 3- ethyl- 1H- indazol- 6- yl) - , cis- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047253
ERPathway2016 ERPathway2016_608 CP-401387 199171-88-5 DTXSID9047253 A17 ER Pathway Model, Antagonist Call Inactive Unitless CCC1=NN(C2CCCCC2)C2=C1C=CC(=C2)[C@]1(CC[C@@H](CC1)C(O)=O)C#N CP-401387 199171-88-5|CP-401387|cis-4-Cyano-4-(1-cyclohexyl-3-ethyl-1H-indazol-6-yl)cyclohexanecarboxylic acid|Cyclohexanecarboxyli c acid, 4- cyano- 4- (1- cyclohexyl- 3- ethyl- 1H- indazol- 6- yl) - , cis- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047253
ARPathway2016 ARPathway2016_968 CP-409092 194098-25-4 DTXSID2047276 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CNCC1=CC=C(NC(=O)C2=CNC3=C2C(=O)CCC3)C=C1 CP-409092 194098-25-4|CP-409092 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047276
ARPathway2016 ARPathway2016_968 CP-409092 194098-25-4 DTXSID2047276 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CNCC1=CC=C(NC(=O)C2=CNC3=C2C(=O)CCC3)C=C1 CP-409092 194098-25-4|CP-409092 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047276
ARPathway2016 ARPathway2016_968 CP-409092 194098-25-4 DTXSID2047276 0.0 AR Pathway Model, Agonist Call Inactive Unitless CNCC1=CC=C(NC(=O)C2=CNC3=C2C(=O)CCC3)C=C1 CP-409092 194098-25-4|CP-409092 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047276
ARPathway2016 ARPathway2016_968 CP-409092 194098-25-4 DTXSID2047276 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CNCC1=CC=C(NC(=O)C2=CNC3=C2C(=O)CCC3)C=C1 CP-409092 194098-25-4|CP-409092 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047276
ERPathway2016 ERPathway2016_1366 CP-409092 194098-25-4 DTXSID2047276 ER Pathway Model, Agonist Model Score 0 Unitless CNCC1=CC=C(NC(=O)C2=CNC3=C2C(=O)CCC3)C=C1 CP-409092 194098-25-4|CP-409092 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047276
ERPathway2016 ERPathway2016_1366 CP-409092 194098-25-4 DTXSID2047276 ER Pathway Model, Antagonist Model Score 0 Unitless CNCC1=CC=C(NC(=O)C2=CNC3=C2C(=O)CCC3)C=C1 CP-409092 194098-25-4|CP-409092 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047276
ERPathway2016 ERPathway2016_1366 CP-409092 194098-25-4 DTXSID2047276 ER Pathway Model, Agonist Call Inactive Unitless CNCC1=CC=C(NC(=O)C2=CNC3=C2C(=O)CCC3)C=C1 CP-409092 194098-25-4|CP-409092 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047276
ERPathway2016 ERPathway2016_1366 CP-409092 194098-25-4 DTXSID2047276 ER Pathway Model, Antagonist Call Inactive Unitless CNCC1=CC=C(NC(=O)C2=CNC3=C2C(=O)CCC3)C=C1 CP-409092 194098-25-4|CP-409092 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047276
ARPathway2016 ARPathway2016_1839 CP-422935 NOCAS_47299 DTXSID5047299 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CS(O)(=O)=O.CCOC1=CC=CC(=C1)[C@]1(CC[C@H](C)CC1)N1CCN(CC1)C1=CC=CC=C1 CP-422935 NOCAS_47299|CP-422935 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047299
ARPathway2016 ARPathway2016_1839 CP-422935 NOCAS_47299 DTXSID5047299 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CS(O)(=O)=O.CCOC1=CC=CC(=C1)[C@]1(CC[C@H](C)CC1)N1CCN(CC1)C1=CC=CC=C1 CP-422935 NOCAS_47299|CP-422935 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047299
ARPathway2016 ARPathway2016_1839 CP-422935 NOCAS_47299 DTXSID5047299 0.0 AR Pathway Model, Agonist Call Inactive Unitless CS(O)(=O)=O.CCOC1=CC=CC(=C1)[C@]1(CC[C@H](C)CC1)N1CCN(CC1)C1=CC=CC=C1 CP-422935 NOCAS_47299|CP-422935 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047299
ARPathway2016 ARPathway2016_1839 CP-422935 NOCAS_47299 DTXSID5047299 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CS(O)(=O)=O.CCOC1=CC=CC(=C1)[C@]1(CC[C@H](C)CC1)N1CCN(CC1)C1=CC=CC=C1 CP-422935 NOCAS_47299|CP-422935 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047299
ERPathway2016 ERPathway2016_1809 CP-422935 NOCAS_47299 DTXSID5047299 ER Pathway Model, Agonist Model Score 0 Unitless CS(O)(=O)=O.CCOC1=CC=CC(=C1)[C@]1(CC[C@H](C)CC1)N1CCN(CC1)C1=CC=CC=C1 CP-422935 NOCAS_47299|CP-422935 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047299
ERPathway2016 ERPathway2016_1809 CP-422935 NOCAS_47299 DTXSID5047299 ER Pathway Model, Antagonist Model Score 0 Unitless CS(O)(=O)=O.CCOC1=CC=CC(=C1)[C@]1(CC[C@H](C)CC1)N1CCN(CC1)C1=CC=CC=C1 CP-422935 NOCAS_47299|CP-422935 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047299
ERPathway2016 ERPathway2016_1809 CP-422935 NOCAS_47299 DTXSID5047299 ER Pathway Model, Agonist Call Inactive Unitless CS(O)(=O)=O.CCOC1=CC=CC(=C1)[C@]1(CC[C@H](C)CC1)N1CCN(CC1)C1=CC=CC=C1 CP-422935 NOCAS_47299|CP-422935 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047299
ERPathway2016 ERPathway2016_1809 CP-422935 NOCAS_47299 DTXSID5047299 ER Pathway Model, Antagonist Call Inactive Unitless CS(O)(=O)=O.CCOC1=CC=CC(=C1)[C@]1(CC[C@H](C)CC1)N1CCN(CC1)C1=CC=CC=C1 CP-422935 NOCAS_47299|CP-422935 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047299
ARPathway2016 ARPathway2016_989 CP-456773 210826-40-7 DTXSID2047301 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(O)C1=COC(=C1)S(=O)(=O)NC(=O)NC1=C2CCCC2=CC2=C1CCC2 CP-456773 210826-40-7|CP-456773 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047301
ARPathway2016 ARPathway2016_989 CP-456773 210826-40-7 DTXSID2047301 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(O)C1=COC(=C1)S(=O)(=O)NC(=O)NC1=C2CCCC2=CC2=C1CCC2 CP-456773 210826-40-7|CP-456773 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047301
ARPathway2016 ARPathway2016_989 CP-456773 210826-40-7 DTXSID2047301 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(O)C1=COC(=C1)S(=O)(=O)NC(=O)NC1=C2CCCC2=CC2=C1CCC2 CP-456773 210826-40-7|CP-456773 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047301
ARPathway2016 ARPathway2016_989 CP-456773 210826-40-7 DTXSID2047301 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(O)C1=COC(=C1)S(=O)(=O)NC(=O)NC1=C2CCCC2=CC2=C1CCC2 CP-456773 210826-40-7|CP-456773 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047301
ERPathway2016 ERPathway2016_1374 CP-456773 210826-40-7 DTXSID2047301 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(O)C1=COC(=C1)S(=O)(=O)NC(=O)NC1=C2CCCC2=CC2=C1CCC2 CP-456773 210826-40-7|CP-456773 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047301
ERPathway2016 ERPathway2016_1374 CP-456773 210826-40-7 DTXSID2047301 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(O)C1=COC(=C1)S(=O)(=O)NC(=O)NC1=C2CCCC2=CC2=C1CCC2 CP-456773 210826-40-7|CP-456773 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047301
ERPathway2016 ERPathway2016_1374 CP-456773 210826-40-7 DTXSID2047301 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(O)C1=COC(=C1)S(=O)(=O)NC(=O)NC1=C2CCCC2=CC2=C1CCC2 CP-456773 210826-40-7|CP-456773 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047301
ERPathway2016 ERPathway2016_1374 CP-456773 210826-40-7 DTXSID2047301 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(O)C1=COC(=C1)S(=O)(=O)NC(=O)NC1=C2CCCC2=CC2=C1CCC2 CP-456773 210826-40-7|CP-456773 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047301
ARPathway2016 ARPathway2016_997 CP-457677 214535-77-0 DTXSID2047278 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(O)C1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)C=C1 CP-457677 214535-77-0|CP-457677 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047278
ARPathway2016 ARPathway2016_997 CP-457677 214535-77-0 DTXSID2047278 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(O)C1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)C=C1 CP-457677 214535-77-0|CP-457677 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047278
ARPathway2016 ARPathway2016_997 CP-457677 214535-77-0 DTXSID2047278 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(O)C1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)C=C1 CP-457677 214535-77-0|CP-457677 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047278
ARPathway2016 ARPathway2016_997 CP-457677 214535-77-0 DTXSID2047278 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(O)C1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)C=C1 CP-457677 214535-77-0|CP-457677 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047278
ERPathway2016 ERPathway2016_673 CP-457677 214535-77-0 DTXSID2047278 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(O)C1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)C=C1 CP-457677 214535-77-0|CP-457677 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047278
ERPathway2016 ERPathway2016_673 CP-457677 214535-77-0 DTXSID2047278 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(O)C1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)C=C1 CP-457677 214535-77-0|CP-457677 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047278
ERPathway2016 ERPathway2016_673 CP-457677 214535-77-0 DTXSID2047278 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(O)C1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)C=C1 CP-457677 214535-77-0|CP-457677 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047278
ERPathway2016 ERPathway2016_673 CP-457677 214535-77-0 DTXSID2047278 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(O)C1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)C=C1 CP-457677 214535-77-0|CP-457677 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047278
ARPathway2016 ARPathway2016_1007 CP-457920 220860-50-4 DTXSID4047254 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC1=NC2=C(NC=C(C(=O)NCC3=CC=CC=C3)C2=O)C=C1 CP-457920 220860-50-4|CP-457920 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047254
ARPathway2016 ARPathway2016_1007 CP-457920 220860-50-4 DTXSID4047254 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CCOC1=NC2=C(NC=C(C(=O)NCC3=CC=CC=C3)C2=O)C=C1 CP-457920 220860-50-4|CP-457920 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047254
ARPathway2016 ARPathway2016_1007 CP-457920 220860-50-4 DTXSID4047254 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist Call Inactive Unitless CCOC1=NC2=C(NC=C(C(=O)NCC3=CC=CC=C3)C2=O)C=C1 CP-457920 220860-50-4|CP-457920 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047254
ARPathway2016 ARPathway2016_1007 CP-457920 220860-50-4 DTXSID4047254 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CCOC1=NC2=C(NC=C(C(=O)NCC3=CC=CC=C3)C2=O)C=C1 CP-457920 220860-50-4|CP-457920 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047254
ERPathway2016 ERPathway2016_1382 CP-457920 220860-50-4 DTXSID4047254 ER Pathway Model, Agonist Model Score 0 Unitless CCOC1=NC2=C(NC=C(C(=O)NCC3=CC=CC=C3)C2=O)C=C1 CP-457920 220860-50-4|CP-457920 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047254
ERPathway2016 ERPathway2016_1382 CP-457920 220860-50-4 DTXSID4047254 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC1=NC2=C(NC=C(C(=O)NCC3=CC=CC=C3)C2=O)C=C1 CP-457920 220860-50-4|CP-457920 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047254
ERPathway2016 ERPathway2016_1382 CP-457920 220860-50-4 DTXSID4047254 ER Pathway Model, Agonist Call Inactive Unitless CCOC1=NC2=C(NC=C(C(=O)NCC3=CC=CC=C3)C2=O)C=C1 CP-457920 220860-50-4|CP-457920 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047254
ERPathway2016 ERPathway2016_1382 CP-457920 220860-50-4 DTXSID4047254 ER Pathway Model, Antagonist Call Inactive Unitless CCOC1=NC2=C(NC=C(C(=O)NCC3=CC=CC=C3)C2=O)C=C1 CP-457920 220860-50-4|CP-457920 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047254
ARPathway2016 ARPathway2016_1834 CP-465394 NOCAS_47255 DTXSID9047255 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC(C)C1=CC=CC(C(C)C)=C1NC(=O)[N-]S(=O)(=O)C1=CC(=CO1)C(C)(C)O CP-465394 NOCAS_47255|CP-465394 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047255
ARPathway2016 ARPathway2016_1834 CP-465394 NOCAS_47255 DTXSID9047255 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CC(C)C1=CC=CC(C(C)C)=C1NC(=O)[N-]S(=O)(=O)C1=CC(=CO1)C(C)(C)O CP-465394 NOCAS_47255|CP-465394 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047255
ARPathway2016 ARPathway2016_1834 CP-465394 NOCAS_47255 DTXSID9047255 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CC(C)C1=CC=CC(C(C)C)=C1NC(=O)[N-]S(=O)(=O)C1=CC(=CO1)C(C)(C)O CP-465394 NOCAS_47255|CP-465394 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047255
ARPathway2016 ARPathway2016_1834 CP-465394 NOCAS_47255 DTXSID9047255 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CC(C)C1=CC=CC(C(C)C)=C1NC(=O)[N-]S(=O)(=O)C1=CC(=CO1)C(C)(C)O CP-465394 NOCAS_47255|CP-465394 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047255
ERPathway2016 ERPathway2016_1805 CP-465394 NOCAS_47255 DTXSID9047255 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CC(C)C1=CC=CC(C(C)C)=C1NC(=O)[N-]S(=O)(=O)C1=CC(=CO1)C(C)(C)O CP-465394 NOCAS_47255|CP-465394 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047255
ERPathway2016 ERPathway2016_1805 CP-465394 NOCAS_47255 DTXSID9047255 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC(C)C1=CC=CC(C(C)C)=C1NC(=O)[N-]S(=O)(=O)C1=CC(=CO1)C(C)(C)O CP-465394 NOCAS_47255|CP-465394 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047255
ERPathway2016 ERPathway2016_1805 CP-465394 NOCAS_47255 DTXSID9047255 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CC(C)C1=CC=CC(C(C)C)=C1NC(=O)[N-]S(=O)(=O)C1=CC(=CO1)C(C)(C)O CP-465394 NOCAS_47255|CP-465394 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047255
ERPathway2016 ERPathway2016_1805 CP-465394 NOCAS_47255 DTXSID9047255 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CC(C)C1=CC=CC(C(C)C)=C1NC(=O)[N-]S(=O)(=O)C1=CC(=CO1)C(C)(C)O CP-465394 NOCAS_47255|CP-465394 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047255
ARPathway2016 ARPathway2016_1835 CP-471358 NOCAS_47265 DTXSID3047265 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ONC(=O)C1(CCCC1)N(CCC(O)=O)S(=O)(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1 CP-471358 NOCAS_47265|CP-471358 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047265
ARPathway2016 ARPathway2016_1835 CP-471358 NOCAS_47265 DTXSID3047265 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ONC(=O)C1(CCCC1)N(CCC(O)=O)S(=O)(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1 CP-471358 NOCAS_47265|CP-471358 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047265
ARPathway2016 ARPathway2016_1835 CP-471358 NOCAS_47265 DTXSID3047265 0.0 AR Pathway Model, Agonist Call Inactive Unitless ONC(=O)C1(CCCC1)N(CCC(O)=O)S(=O)(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1 CP-471358 NOCAS_47265|CP-471358 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047265
ARPathway2016 ARPathway2016_1835 CP-471358 NOCAS_47265 DTXSID3047265 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ONC(=O)C1(CCCC1)N(CCC(O)=O)S(=O)(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1 CP-471358 NOCAS_47265|CP-471358 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047265
ERPathway2016 ERPathway2016_1806 CP-471358 NOCAS_47265 DTXSID3047265 ER Pathway Model, Agonist Model Score 0 Unitless ONC(=O)C1(CCCC1)N(CCC(O)=O)S(=O)(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1 CP-471358 NOCAS_47265|CP-471358 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047265
ERPathway2016 ERPathway2016_1806 CP-471358 NOCAS_47265 DTXSID3047265 ER Pathway Model, Antagonist Model Score 0 Unitless ONC(=O)C1(CCCC1)N(CCC(O)=O)S(=O)(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1 CP-471358 NOCAS_47265|CP-471358 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047265
ERPathway2016 ERPathway2016_1806 CP-471358 NOCAS_47265 DTXSID3047265 ER Pathway Model, Agonist Call Inactive Unitless ONC(=O)C1(CCCC1)N(CCC(O)=O)S(=O)(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1 CP-471358 NOCAS_47265|CP-471358 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047265
ERPathway2016 ERPathway2016_1806 CP-471358 NOCAS_47265 DTXSID3047265 ER Pathway Model, Antagonist Call Inactive Unitless ONC(=O)C1(CCCC1)N(CCC(O)=O)S(=O)(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1 CP-471358 NOCAS_47265|CP-471358 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047265
ARPathway2016 ARPathway2016_1069 CP-532623 261947-38-0 DTXSID7047279 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC[C@@H]1C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(C)=O)C2=C(C=CC(=C2)C(F)(F)F)N1C(=O)OC(C)C CP-532623 261947-38-0|CP-532623|936572-37-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047279
ARPathway2016 ARPathway2016_1069 CP-532623 261947-38-0 DTXSID7047279 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC[C@@H]1C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(C)=O)C2=C(C=CC(=C2)C(F)(F)F)N1C(=O)OC(C)C CP-532623 261947-38-0|CP-532623|936572-37-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047279
ARPathway2016 ARPathway2016_1069 CP-532623 261947-38-0 DTXSID7047279 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC[C@@H]1C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(C)=O)C2=C(C=CC(=C2)C(F)(F)F)N1C(=O)OC(C)C CP-532623 261947-38-0|CP-532623|936572-37-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047279
ARPathway2016 ARPathway2016_1069 CP-532623 261947-38-0 DTXSID7047279 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC[C@@H]1C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(C)=O)C2=C(C=CC(=C2)C(F)(F)F)N1C(=O)OC(C)C CP-532623 261947-38-0|CP-532623|936572-37-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047279
ERPathway2016 ERPathway2016_1034 CP-532623 261947-38-0 DTXSID7047279 ER Pathway Model, Agonist Model Score 0 Unitless CC[C@@H]1C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(C)=O)C2=C(C=CC(=C2)C(F)(F)F)N1C(=O)OC(C)C CP-532623 261947-38-0|CP-532623|936572-37-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047279
ERPathway2016 ERPathway2016_1034 CP-532623 261947-38-0 DTXSID7047279 ER Pathway Model, Antagonist Model Score 0 Unitless CC[C@@H]1C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(C)=O)C2=C(C=CC(=C2)C(F)(F)F)N1C(=O)OC(C)C CP-532623 261947-38-0|CP-532623|936572-37-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047279
ERPathway2016 ERPathway2016_1034 CP-532623 261947-38-0 DTXSID7047279 ER Pathway Model, Agonist Call Inactive Unitless CC[C@@H]1C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(C)=O)C2=C(C=CC(=C2)C(F)(F)F)N1C(=O)OC(C)C CP-532623 261947-38-0|CP-532623|936572-37-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047279
ERPathway2016 ERPathway2016_1034 CP-532623 261947-38-0 DTXSID7047279 ER Pathway Model, Antagonist Call Inactive Unitless CC[C@@H]1C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(C)=O)C2=C(C=CC(=C2)C(F)(F)F)N1C(=O)OC(C)C CP-532623 261947-38-0|CP-532623|936572-37-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047279
ARPathway2016 ARPathway2016_1017 CP-544439 230954-09-3 DTXSID8047266 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless ONC(=O)C1(CCOCC1)NS(=O)(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1 CP-544439 230954-09-3|CP-544439|913724-60-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047266
ARPathway2016 ARPathway2016_1017 CP-544439 230954-09-3 DTXSID8047266 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless ONC(=O)C1(CCOCC1)NS(=O)(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1 CP-544439 230954-09-3|CP-544439|913724-60-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047266
ARPathway2016 ARPathway2016_1017 CP-544439 230954-09-3 DTXSID8047266 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Agonist Call Inactive Unitless ONC(=O)C1(CCOCC1)NS(=O)(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1 CP-544439 230954-09-3|CP-544439|913724-60-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047266
ARPathway2016 ARPathway2016_1017 CP-544439 230954-09-3 DTXSID8047266 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless ONC(=O)C1(CCOCC1)NS(=O)(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1 CP-544439 230954-09-3|CP-544439|913724-60-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047266
ERPathway2016 ERPathway2016_1385 CP-544439 230954-09-3 DTXSID8047266 ER Pathway Model, Agonist Model Score 0 Unitless ONC(=O)C1(CCOCC1)NS(=O)(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1 CP-544439 230954-09-3|CP-544439|913724-60-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047266
ERPathway2016 ERPathway2016_1385 CP-544439 230954-09-3 DTXSID8047266 ER Pathway Model, Antagonist Model Score 0 Unitless ONC(=O)C1(CCOCC1)NS(=O)(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1 CP-544439 230954-09-3|CP-544439|913724-60-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047266
ERPathway2016 ERPathway2016_1385 CP-544439 230954-09-3 DTXSID8047266 ER Pathway Model, Agonist Call Inactive Unitless ONC(=O)C1(CCOCC1)NS(=O)(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1 CP-544439 230954-09-3|CP-544439|913724-60-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047266
ERPathway2016 ERPathway2016_1385 CP-544439 230954-09-3 DTXSID8047266 ER Pathway Model, Antagonist Call Inactive Unitless ONC(=O)C1(CCOCC1)NS(=O)(=O)C1=CC=C(OC2=CC=C(F)C=C2)C=C1 CP-544439 230954-09-3|CP-544439|913724-60-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047266
ARPathway2016 ARPathway2016_142 CP-607366 289716-94-5 DTXSID6047280 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 41.9569466902007 uM CNCC1=C(OC2=CC=C(Cl)C(Cl)=C2)C=CC(F)=C1 CP-607366 289716-94-5|CP-607366 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047280
ARPathway2016 ARPathway2016_142 CP-607366 289716-94-5 DTXSID6047280 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 37.2134896883466 uM CNCC1=C(OC2=CC=C(Cl)C(Cl)=C2)C=CC(F)=C1 CP-607366 289716-94-5|CP-607366 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047280
ARPathway2016 ARPathway2016_142 CP-607366 289716-94-5 DTXSID6047280 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.143 Unitless CNCC1=C(OC2=CC=C(Cl)C(Cl)=C2)C=CC(F)=C1 CP-607366 289716-94-5|CP-607366 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047280
ARPathway2016 ARPathway2016_142 CP-607366 289716-94-5 DTXSID6047280 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CNCC1=C(OC2=CC=C(Cl)C(Cl)=C2)C=CC(F)=C1 CP-607366 289716-94-5|CP-607366 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047280
ARPathway2016 ARPathway2016_142 CP-607366 289716-94-5 DTXSID6047280 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CNCC1=C(OC2=CC=C(Cl)C(Cl)=C2)C=CC(F)=C1 CP-607366 289716-94-5|CP-607366 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047280
ARPathway2016 ARPathway2016_142 CP-607366 289716-94-5 DTXSID6047280 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CNCC1=C(OC2=CC=C(Cl)C(Cl)=C2)C=CC(F)=C1 CP-607366 289716-94-5|CP-607366 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047280
ERPathway2016 ERPathway2016_140 CP-607366 289716-94-5 DTXSID6047280 ER Pathway Model, Agonist AC50 68.4495312025779 uM CNCC1=C(OC2=CC=C(Cl)C(Cl)=C2)C=CC(F)=C1 CP-607366 289716-94-5|CP-607366 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047280
ERPathway2016 ERPathway2016_140 CP-607366 289716-94-5 DTXSID6047280 ER Pathway Model, Agonist ACC 72.8165802415394 uM CNCC1=C(OC2=CC=C(Cl)C(Cl)=C2)C=CC(F)=C1 CP-607366 289716-94-5|CP-607366 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047280
ERPathway2016 ERPathway2016_140 CP-607366 289716-94-5 DTXSID6047280 ER Pathway Model, Agonist Model Score 0 Unitless CNCC1=C(OC2=CC=C(Cl)C(Cl)=C2)C=CC(F)=C1 CP-607366 289716-94-5|CP-607366 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047280
ERPathway2016 ERPathway2016_140 CP-607366 289716-94-5 DTXSID6047280 ER Pathway Model, Antagonist Model Score 0.00686 Unitless CNCC1=C(OC2=CC=C(Cl)C(Cl)=C2)C=CC(F)=C1 CP-607366 289716-94-5|CP-607366 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047280
ERPathway2016 ERPathway2016_140 CP-607366 289716-94-5 DTXSID6047280 ER Pathway Model, Agonist Call Active Unitless CNCC1=C(OC2=CC=C(Cl)C(Cl)=C2)C=CC(F)=C1 CP-607366 289716-94-5|CP-607366 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047280
ERPathway2016 ERPathway2016_140 CP-607366 289716-94-5 DTXSID6047280 ER Pathway Model, Antagonist Call Inactive Unitless CNCC1=C(OC2=CC=C(Cl)C(Cl)=C2)C=CC(F)=C1 CP-607366 289716-94-5|CP-607366 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047280
ARPathway2016 ARPathway2016_1840 CP-608039 NOCAS_47305 DTXSID2047305 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)N1C=NC2=C1N=CN=C2NCC1=CC(Cl)=CC=C1OCC1=CC(C)=NO1 CP-608039 NOCAS_47305|CP-608039 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047305
ARPathway2016 ARPathway2016_1840 CP-608039 NOCAS_47305 DTXSID2047305 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)N1C=NC2=C1N=CN=C2NCC1=CC(Cl)=CC=C1OCC1=CC(C)=NO1 CP-608039 NOCAS_47305|CP-608039 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047305
ARPathway2016 ARPathway2016_1840 CP-608039 NOCAS_47305 DTXSID2047305 0.0 AR Pathway Model, Agonist Call Inactive Unitless CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)N1C=NC2=C1N=CN=C2NCC1=CC(Cl)=CC=C1OCC1=CC(C)=NO1 CP-608039 NOCAS_47305|CP-608039 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047305
ARPathway2016 ARPathway2016_1840 CP-608039 NOCAS_47305 DTXSID2047305 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)N1C=NC2=C1N=CN=C2NCC1=CC(Cl)=CC=C1OCC1=CC(C)=NO1 CP-608039 NOCAS_47305|CP-608039 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047305
ERPathway2016 ERPathway2016_744 CP-608039 NOCAS_47305 DTXSID2047305 A5 ER Pathway Model, Agonist Model Score 0 Unitless CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)N1C=NC2=C1N=CN=C2NCC1=CC(Cl)=CC=C1OCC1=CC(C)=NO1 CP-608039 NOCAS_47305|CP-608039 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047305
ERPathway2016 ERPathway2016_744 CP-608039 NOCAS_47305 DTXSID2047305 A5 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)N1C=NC2=C1N=CN=C2NCC1=CC(Cl)=CC=C1OCC1=CC(C)=NO1 CP-608039 NOCAS_47305|CP-608039 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047305
ERPathway2016 ERPathway2016_744 CP-608039 NOCAS_47305 DTXSID2047305 A5 ER Pathway Model, Agonist Call Inactive Unitless CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)N1C=NC2=C1N=CN=C2NCC1=CC(Cl)=CC=C1OCC1=CC(C)=NO1 CP-608039 NOCAS_47305|CP-608039 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047305
ERPathway2016 ERPathway2016_744 CP-608039 NOCAS_47305 DTXSID2047305 A5 ER Pathway Model, Antagonist Call Inactive Unitless CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1N)N1C=NC2=C1N=CN=C2NCC1=CC(Cl)=CC=C1OCC1=CC(C)=NO1 CP-608039 NOCAS_47305|CP-608039 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047305
ARPathway2016 ARPathway2016_1164 CP-612372 353280-07-6 DTXSID1047281 1.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(O)C1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC3=NON=C3C=C2)C=C1 CP-612372 353280-07-6|CP-612372 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047281
ARPathway2016 ARPathway2016_1164 CP-612372 353280-07-6 DTXSID1047281 1.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(O)C1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC3=NON=C3C=C2)C=C1 CP-612372 353280-07-6|CP-612372 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047281
ARPathway2016 ARPathway2016_1164 CP-612372 353280-07-6 DTXSID1047281 1.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(O)C1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC3=NON=C3C=C2)C=C1 CP-612372 353280-07-6|CP-612372 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047281
ARPathway2016 ARPathway2016_1164 CP-612372 353280-07-6 DTXSID1047281 1.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(O)C1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC3=NON=C3C=C2)C=C1 CP-612372 353280-07-6|CP-612372 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047281
ERPathway2016 ERPathway2016_1463 CP-612372 353280-07-6 DTXSID1047281 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(O)C1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC3=NON=C3C=C2)C=C1 CP-612372 353280-07-6|CP-612372 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047281
ERPathway2016 ERPathway2016_1463 CP-612372 353280-07-6 DTXSID1047281 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(O)C1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC3=NON=C3C=C2)C=C1 CP-612372 353280-07-6|CP-612372 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047281
ERPathway2016 ERPathway2016_1463 CP-612372 353280-07-6 DTXSID1047281 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(O)C1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC3=NON=C3C=C2)C=C1 CP-612372 353280-07-6|CP-612372 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047281
ERPathway2016 ERPathway2016_1463 CP-612372 353280-07-6 DTXSID1047281 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(O)C1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC3=NON=C3C=C2)C=C1 CP-612372 353280-07-6|CP-612372 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047281
ARPathway2016 ARPathway2016_1107 CP-634384 290352-28-2 DTXSID7047306 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(NC(=O)C(O)=O)=CC(C)=C1OC1=CC=C(O)C2=C1CCC2 CP-634384 290352-28-2|CP-634384 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047306
ARPathway2016 ARPathway2016_1107 CP-634384 290352-28-2 DTXSID7047306 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(NC(=O)C(O)=O)=CC(C)=C1OC1=CC=C(O)C2=C1CCC2 CP-634384 290352-28-2|CP-634384 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047306
ARPathway2016 ARPathway2016_1107 CP-634384 290352-28-2 DTXSID7047306 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(NC(=O)C(O)=O)=CC(C)=C1OC1=CC=C(O)C2=C1CCC2 CP-634384 290352-28-2|CP-634384 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047306
ARPathway2016 ARPathway2016_1107 CP-634384 290352-28-2 DTXSID7047306 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(NC(=O)C(O)=O)=CC(C)=C1OC1=CC=C(O)C2=C1CCC2 CP-634384 290352-28-2|CP-634384 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047306
ERPathway2016 ERPathway2016_421 CP-634384 290352-28-2 DTXSID7047306 ER Pathway Model, Antagonist AC50 51.78563799776 uM CC1=CC(NC(=O)C(O)=O)=CC(C)=C1OC1=CC=C(O)C2=C1CCC2 CP-634384 290352-28-2|CP-634384 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047306
ERPathway2016 ERPathway2016_421 CP-634384 290352-28-2 DTXSID7047306 ER Pathway Model, Antagonist ACC 287.316777580558 uM CC1=CC(NC(=O)C(O)=O)=CC(C)=C1OC1=CC=C(O)C2=C1CCC2 CP-634384 290352-28-2|CP-634384 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047306
ERPathway2016 ERPathway2016_421 CP-634384 290352-28-2 DTXSID7047306 ER Pathway Model, Agonist Model Score 0.00739 Unitless CC1=CC(NC(=O)C(O)=O)=CC(C)=C1OC1=CC=C(O)C2=C1CCC2 CP-634384 290352-28-2|CP-634384 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047306
ERPathway2016 ERPathway2016_421 CP-634384 290352-28-2 DTXSID7047306 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(NC(=O)C(O)=O)=CC(C)=C1OC1=CC=C(O)C2=C1CCC2 CP-634384 290352-28-2|CP-634384 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047306
ERPathway2016 ERPathway2016_421 CP-634384 290352-28-2 DTXSID7047306 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(NC(=O)C(O)=O)=CC(C)=C1OC1=CC=C(O)C2=C1CCC2 CP-634384 290352-28-2|CP-634384 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047306
ERPathway2016 ERPathway2016_421 CP-634384 290352-28-2 DTXSID7047306 ER Pathway Model, Antagonist Call Active Unitless CC1=CC(NC(=O)C(O)=O)=CC(C)=C1OC1=CC=C(O)C2=C1CCC2 CP-634384 290352-28-2|CP-634384 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047306
ARPathway2016 ARPathway2016_1836 CP-642931 NOCAS_47267 DTXSID3047267 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C[C@@H](O)C1=NC(=CC=N1)N1[C@@H](C)CN(C[C@H]1C)C1=NC(C)=NC(C)=N1 CP-642931 NOCAS_47267|CP-642931 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047267
ARPathway2016 ARPathway2016_1836 CP-642931 NOCAS_47267 DTXSID3047267 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C[C@@H](O)C1=NC(=CC=N1)N1[C@@H](C)CN(C[C@H]1C)C1=NC(C)=NC(C)=N1 CP-642931 NOCAS_47267|CP-642931 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047267
ARPathway2016 ARPathway2016_1836 CP-642931 NOCAS_47267 DTXSID3047267 0.0 AR Pathway Model, Agonist Call Inactive Unitless C[C@@H](O)C1=NC(=CC=N1)N1[C@@H](C)CN(C[C@H]1C)C1=NC(C)=NC(C)=N1 CP-642931 NOCAS_47267|CP-642931 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047267
ARPathway2016 ARPathway2016_1836 CP-642931 NOCAS_47267 DTXSID3047267 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C[C@@H](O)C1=NC(=CC=N1)N1[C@@H](C)CN(C[C@H]1C)C1=NC(C)=NC(C)=N1 CP-642931 NOCAS_47267|CP-642931 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047267
ERPathway2016 ERPathway2016_1807 CP-642931 NOCAS_47267 DTXSID3047267 ER Pathway Model, Agonist Model Score 0 Unitless C[C@@H](O)C1=NC(=CC=N1)N1[C@@H](C)CN(C[C@H]1C)C1=NC(C)=NC(C)=N1 CP-642931 NOCAS_47267|CP-642931 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047267
ERPathway2016 ERPathway2016_1807 CP-642931 NOCAS_47267 DTXSID3047267 ER Pathway Model, Antagonist Model Score 0 Unitless C[C@@H](O)C1=NC(=CC=N1)N1[C@@H](C)CN(C[C@H]1C)C1=NC(C)=NC(C)=N1 CP-642931 NOCAS_47267|CP-642931 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047267
ERPathway2016 ERPathway2016_1807 CP-642931 NOCAS_47267 DTXSID3047267 ER Pathway Model, Agonist Call Inactive Unitless C[C@@H](O)C1=NC(=CC=N1)N1[C@@H](C)CN(C[C@H]1C)C1=NC(C)=NC(C)=N1 CP-642931 NOCAS_47267|CP-642931 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047267
ERPathway2016 ERPathway2016_1807 CP-642931 NOCAS_47267 DTXSID3047267 ER Pathway Model, Antagonist Call Inactive Unitless C[C@@H](O)C1=NC(=CC=N1)N1[C@@H](C)CN(C[C@H]1C)C1=NC(C)=NC(C)=N1 CP-642931 NOCAS_47267|CP-642931 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047267
ARPathway2016 ARPathway2016_1211 CP-671305 445295-04-5 DTXSID6047282 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C[C@@H](OC1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC=C3OCOC3=C2)C(F)=C1)C(O)=O CP-671305 445295-04-5|CP-671305 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047282
ARPathway2016 ARPathway2016_1211 CP-671305 445295-04-5 DTXSID6047282 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C[C@@H](OC1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC=C3OCOC3=C2)C(F)=C1)C(O)=O CP-671305 445295-04-5|CP-671305 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047282
ARPathway2016 ARPathway2016_1211 CP-671305 445295-04-5 DTXSID6047282 0.0 AR Pathway Model, Agonist Call Inactive Unitless C[C@@H](OC1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC=C3OCOC3=C2)C(F)=C1)C(O)=O CP-671305 445295-04-5|CP-671305 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047282
ARPathway2016 ARPathway2016_1211 CP-671305 445295-04-5 DTXSID6047282 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C[C@@H](OC1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC=C3OCOC3=C2)C(F)=C1)C(O)=O CP-671305 445295-04-5|CP-671305 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047282
ERPathway2016 ERPathway2016_1484 CP-671305 445295-04-5 DTXSID6047282 ER Pathway Model, Agonist Model Score 0 Unitless C[C@@H](OC1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC=C3OCOC3=C2)C(F)=C1)C(O)=O CP-671305 445295-04-5|CP-671305 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047282
ERPathway2016 ERPathway2016_1484 CP-671305 445295-04-5 DTXSID6047282 ER Pathway Model, Antagonist Model Score 0 Unitless C[C@@H](OC1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC=C3OCOC3=C2)C(F)=C1)C(O)=O CP-671305 445295-04-5|CP-671305 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047282
ERPathway2016 ERPathway2016_1484 CP-671305 445295-04-5 DTXSID6047282 ER Pathway Model, Agonist Call Inactive Unitless C[C@@H](OC1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC=C3OCOC3=C2)C(F)=C1)C(O)=O CP-671305 445295-04-5|CP-671305 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047282
ERPathway2016 ERPathway2016_1484 CP-671305 445295-04-5 DTXSID6047282 ER Pathway Model, Antagonist Call Inactive Unitless C[C@@H](OC1=CC=C(CNC(=O)C2=CC=CN=C2OC2=CC=C3OCOC3=C2)C(F)=C1)C(O)=O CP-671305 445295-04-5|CP-671305 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047282
ARPathway2016 ARPathway2016_362 CP-728663 368832-42-2 DTXSID1047283 FLAG: Wrong direction (Hit/No hit) -1.0 A5 AR Pathway Model, Antagonist ACC 20.6773952727105 uM CC[C@H]1CC[C@H](NCC2=CC3=C(C=C2OC)[C@H]2C[C@H]2C(=O)N3C)[C@@H](N1)C1=CC=CC=C1 CP-728663 368832-42-2|CP-728663 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047283
ARPathway2016 ARPathway2016_362 CP-728663 368832-42-2 DTXSID1047283 FLAG: Wrong direction (Hit/No hit) -1.0 A5 AR Pathway Model, Antagonist AC50 17.3794570714939 uM CC[C@H]1CC[C@H](NCC2=CC3=C(C=C2OC)[C@H]2C[C@H]2C(=O)N3C)[C@@H](N1)C1=CC=CC=C1 CP-728663 368832-42-2|CP-728663 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047283
ARPathway2016 ARPathway2016_362 CP-728663 368832-42-2 DTXSID1047283 FLAG: Wrong direction (Hit/No hit) -1.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CC[C@H]1CC[C@H](NCC2=CC3=C(C=C2OC)[C@H]2C[C@H]2C(=O)N3C)[C@@H](N1)C1=CC=CC=C1 CP-728663 368832-42-2|CP-728663 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047283
ARPathway2016 ARPathway2016_362 CP-728663 368832-42-2 DTXSID1047283 FLAG: Wrong direction (Hit/No hit) -1.0 A5 AR Pathway Model, Agonist Model Score 0.0316 Unitless CC[C@H]1CC[C@H](NCC2=CC3=C(C=C2OC)[C@H]2C[C@H]2C(=O)N3C)[C@@H](N1)C1=CC=CC=C1 CP-728663 368832-42-2|CP-728663 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047283
ARPathway2016 ARPathway2016_362 CP-728663 368832-42-2 DTXSID1047283 FLAG: Wrong direction (Hit/No hit) -1.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CC[C@H]1CC[C@H](NCC2=CC3=C(C=C2OC)[C@H]2C[C@H]2C(=O)N3C)[C@@H](N1)C1=CC=CC=C1 CP-728663 368832-42-2|CP-728663 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047283
ARPathway2016 ARPathway2016_362 CP-728663 368832-42-2 DTXSID1047283 FLAG: Wrong direction (Hit/No hit) -1.0 A5 AR Pathway Model, Antagonist Call Active Unitless CC[C@H]1CC[C@H](NCC2=CC3=C(C=C2OC)[C@H]2C[C@H]2C(=O)N3C)[C@@H](N1)C1=CC=CC=C1 CP-728663 368832-42-2|CP-728663 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047283
ERPathway2016 ERPathway2016_818 CP-728663 368832-42-2 DTXSID1047283 ER Pathway Model, Agonist Model Score 0 Unitless CC[C@H]1CC[C@H](NCC2=CC3=C(C=C2OC)[C@H]2C[C@H]2C(=O)N3C)[C@@H](N1)C1=CC=CC=C1 CP-728663 368832-42-2|CP-728663 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047283
ERPathway2016 ERPathway2016_818 CP-728663 368832-42-2 DTXSID1047283 ER Pathway Model, Antagonist Model Score 0 Unitless CC[C@H]1CC[C@H](NCC2=CC3=C(C=C2OC)[C@H]2C[C@H]2C(=O)N3C)[C@@H](N1)C1=CC=CC=C1 CP-728663 368832-42-2|CP-728663 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047283
ERPathway2016 ERPathway2016_818 CP-728663 368832-42-2 DTXSID1047283 ER Pathway Model, Agonist Call Inactive Unitless CC[C@H]1CC[C@H](NCC2=CC3=C(C=C2OC)[C@H]2C[C@H]2C(=O)N3C)[C@@H](N1)C1=CC=CC=C1 CP-728663 368832-42-2|CP-728663 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047283
ERPathway2016 ERPathway2016_818 CP-728663 368832-42-2 DTXSID1047283 ER Pathway Model, Antagonist Call Inactive Unitless CC[C@H]1CC[C@H](NCC2=CC3=C(C=C2OC)[C@H]2C[C@H]2C(=O)N3C)[C@@H](N1)C1=CC=CC=C1 CP-728663 368832-42-2|CP-728663 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047283
ARPathway2016 ARPathway2016_1467 CP-863187 668981-02-0 DTXSID0047294 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=NN=C2C=CC(=CN12)C1=C(N=CO1)C1=CC(F)=CC=C1F CP-863187 668981-02-0|CP-863187 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047294
ARPathway2016 ARPathway2016_1467 CP-863187 668981-02-0 DTXSID0047294 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=NN=C2C=CC(=CN12)C1=C(N=CO1)C1=CC(F)=CC=C1F CP-863187 668981-02-0|CP-863187 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047294
ARPathway2016 ARPathway2016_1467 CP-863187 668981-02-0 DTXSID0047294 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C1=NN=C2C=CC(=CN12)C1=C(N=CO1)C1=CC(F)=CC=C1F CP-863187 668981-02-0|CP-863187 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047294
ARPathway2016 ARPathway2016_1467 CP-863187 668981-02-0 DTXSID0047294 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=NN=C2C=CC(=CN12)C1=C(N=CO1)C1=CC(F)=CC=C1F CP-863187 668981-02-0|CP-863187 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047294
ERPathway2016 ERPathway2016_91 CP-863187 668981-02-0 DTXSID0047294 ER Pathway Model, Agonist AC50 17.8487025840184 uM CC(C)C1=NN=C2C=CC(=CN12)C1=C(N=CO1)C1=CC(F)=CC=C1F CP-863187 668981-02-0|CP-863187 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047294
ERPathway2016 ERPathway2016_91 CP-863187 668981-02-0 DTXSID0047294 ER Pathway Model, Agonist ACC 9.95659061114264 uM CC(C)C1=NN=C2C=CC(=CN12)C1=C(N=CO1)C1=CC(F)=CC=C1F CP-863187 668981-02-0|CP-863187 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047294
ERPathway2016 ERPathway2016_91 CP-863187 668981-02-0 DTXSID0047294 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=NN=C2C=CC(=CN12)C1=C(N=CO1)C1=CC(F)=CC=C1F CP-863187 668981-02-0|CP-863187 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047294
ERPathway2016 ERPathway2016_91 CP-863187 668981-02-0 DTXSID0047294 ER Pathway Model, Antagonist Model Score 0.0245 Unitless CC(C)C1=NN=C2C=CC(=CN12)C1=C(N=CO1)C1=CC(F)=CC=C1F CP-863187 668981-02-0|CP-863187 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047294
ERPathway2016 ERPathway2016_91 CP-863187 668981-02-0 DTXSID0047294 ER Pathway Model, Agonist Call Active Unitless CC(C)C1=NN=C2C=CC(=CN12)C1=C(N=CO1)C1=CC(F)=CC=C1F CP-863187 668981-02-0|CP-863187 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047294
ERPathway2016 ERPathway2016_91 CP-863187 668981-02-0 DTXSID0047294 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=NN=C2C=CC(=CN12)C1=C(N=CO1)C1=CC(F)=CC=C1F CP-863187 668981-02-0|CP-863187 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047294
ARPathway2016 ARPathway2016_1403 Cremophor EL 61791-12-6 DTXSID2047696 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cremophor EL 61791-12-6|Cremophor EL|Acconon CA 15|Acconon CA 5|Acconon CA 9|Actinol CS 40|Agnique CSO 40B|Agnique CSO 44F|Alkamuls 14R|Alkamuls 719E|Alkamuls B|Alkamuls EL 620|Alkamuls EL 985|Alkamuls OR 10|Alkamuls OR 36|Alkamuls OR 40|Alkamuls RC|Alkasurf CO 10|Alkasurf CO 15|Alkasurf CO 25B|Alkasurf CO 40|Arlatone 285|Arlatone 650|Atlas G 1281|Atlas G 1284|Atlas G 1300|Bio-Soft HR 40|Bio-Soft HR 55|Caster oil ethoxylated|Castor oil polyoxyethylene ether|Castor oil, ethoxylated|Castor oil, ethoxylated (36 mol EO average molar ratio)|Castor oil, ethoxylated (4 mol EO average molar ratio)|Castor oil, ethylene glycol polymer|Castor oil, ethylene oxide reaction product|Castor oil, polyethoxylated|Castor oil,ethoxylated|Cemulsol BR|Chemax CO|Chemax CO 16|Chemax CO 200/50|Chemax CO 5|Chemax CO 80|Cremaphor|Cremophor EL Castor Oil|EC No.: 500-151-7|Emalex C 20|Emalex C 50|Emulan EL|Emulan ELP|Emulan ELP 11|Emulan EO 40|Emulan L 200|Emulphor EL 620|Emulphor EL 620P|Emulphor EL 719|Emulphor EL 749|Emulphor EL 980|Emulphor EL-620|Emulpon EL 20|Emulpon |107853-28-1|1309581-05-2|1384935-33-4|193363-08-5|2091900-74-0|286015-78-9|287181-21-9|339268-85-8|439806-92-5|53571-36-1|56257-95-5|57572-22-2|58076-69-0|58968-70-0|58985-57-2|60364-31-0|60649-23-2|60746-65-8|65862-71-7|71123-59-6|8035-98-1|8047-16-3|8051-35-2|8051-83-0|8051-90-9|9038-23-7|921590-10-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047696
ARPathway2016 ARPathway2016_1403 Cremophor EL 61791-12-6 DTXSID2047696 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cremophor EL 61791-12-6|Cremophor EL|Acconon CA 15|Acconon CA 5|Acconon CA 9|Actinol CS 40|Agnique CSO 40B|Agnique CSO 44F|Alkamuls 14R|Alkamuls 719E|Alkamuls B|Alkamuls EL 620|Alkamuls EL 985|Alkamuls OR 10|Alkamuls OR 36|Alkamuls OR 40|Alkamuls RC|Alkasurf CO 10|Alkasurf CO 15|Alkasurf CO 25B|Alkasurf CO 40|Arlatone 285|Arlatone 650|Atlas G 1281|Atlas G 1284|Atlas G 1300|Bio-Soft HR 40|Bio-Soft HR 55|Caster oil ethoxylated|Castor oil polyoxyethylene ether|Castor oil, ethoxylated|Castor oil, ethoxylated (36 mol EO average molar ratio)|Castor oil, ethoxylated (4 mol EO average molar ratio)|Castor oil, ethylene glycol polymer|Castor oil, ethylene oxide reaction product|Castor oil, polyethoxylated|Castor oil,ethoxylated|Cemulsol BR|Chemax CO|Chemax CO 16|Chemax CO 200/50|Chemax CO 5|Chemax CO 80|Cremaphor|Cremophor EL Castor Oil|EC No.: 500-151-7|Emalex C 20|Emalex C 50|Emulan EL|Emulan ELP|Emulan ELP 11|Emulan EO 40|Emulan L 200|Emulphor EL 620|Emulphor EL 620P|Emulphor EL 719|Emulphor EL 749|Emulphor EL 980|Emulphor EL-620|Emulpon EL 20|Emulpon |107853-28-1|1309581-05-2|1384935-33-4|193363-08-5|2091900-74-0|286015-78-9|287181-21-9|339268-85-8|439806-92-5|53571-36-1|56257-95-5|57572-22-2|58076-69-0|58968-70-0|58985-57-2|60364-31-0|60649-23-2|60746-65-8|65862-71-7|71123-59-6|8035-98-1|8047-16-3|8051-35-2|8051-83-0|8051-90-9|9038-23-7|921590-10-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047696
ARPathway2016 ARPathway2016_1403 Cremophor EL 61791-12-6 DTXSID2047696 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cremophor EL 61791-12-6|Cremophor EL|Acconon CA 15|Acconon CA 5|Acconon CA 9|Actinol CS 40|Agnique CSO 40B|Agnique CSO 44F|Alkamuls 14R|Alkamuls 719E|Alkamuls B|Alkamuls EL 620|Alkamuls EL 985|Alkamuls OR 10|Alkamuls OR 36|Alkamuls OR 40|Alkamuls RC|Alkasurf CO 10|Alkasurf CO 15|Alkasurf CO 25B|Alkasurf CO 40|Arlatone 285|Arlatone 650|Atlas G 1281|Atlas G 1284|Atlas G 1300|Bio-Soft HR 40|Bio-Soft HR 55|Caster oil ethoxylated|Castor oil polyoxyethylene ether|Castor oil, ethoxylated|Castor oil, ethoxylated (36 mol EO average molar ratio)|Castor oil, ethoxylated (4 mol EO average molar ratio)|Castor oil, ethylene glycol polymer|Castor oil, ethylene oxide reaction product|Castor oil, polyethoxylated|Castor oil,ethoxylated|Cemulsol BR|Chemax CO|Chemax CO 16|Chemax CO 200/50|Chemax CO 5|Chemax CO 80|Cremaphor|Cremophor EL Castor Oil|EC No.: 500-151-7|Emalex C 20|Emalex C 50|Emulan EL|Emulan ELP|Emulan ELP 11|Emulan EO 40|Emulan L 200|Emulphor EL 620|Emulphor EL 620P|Emulphor EL 719|Emulphor EL 749|Emulphor EL 980|Emulphor EL-620|Emulpon EL 20|Emulpon |107853-28-1|1309581-05-2|1384935-33-4|193363-08-5|2091900-74-0|286015-78-9|287181-21-9|339268-85-8|439806-92-5|53571-36-1|56257-95-5|57572-22-2|58076-69-0|58968-70-0|58985-57-2|60364-31-0|60649-23-2|60746-65-8|65862-71-7|71123-59-6|8035-98-1|8047-16-3|8051-35-2|8051-83-0|8051-90-9|9038-23-7|921590-10-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047696
ARPathway2016 ARPathway2016_1403 Cremophor EL 61791-12-6 DTXSID2047696 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cremophor EL 61791-12-6|Cremophor EL|Acconon CA 15|Acconon CA 5|Acconon CA 9|Actinol CS 40|Agnique CSO 40B|Agnique CSO 44F|Alkamuls 14R|Alkamuls 719E|Alkamuls B|Alkamuls EL 620|Alkamuls EL 985|Alkamuls OR 10|Alkamuls OR 36|Alkamuls OR 40|Alkamuls RC|Alkasurf CO 10|Alkasurf CO 15|Alkasurf CO 25B|Alkasurf CO 40|Arlatone 285|Arlatone 650|Atlas G 1281|Atlas G 1284|Atlas G 1300|Bio-Soft HR 40|Bio-Soft HR 55|Caster oil ethoxylated|Castor oil polyoxyethylene ether|Castor oil, ethoxylated|Castor oil, ethoxylated (36 mol EO average molar ratio)|Castor oil, ethoxylated (4 mol EO average molar ratio)|Castor oil, ethylene glycol polymer|Castor oil, ethylene oxide reaction product|Castor oil, polyethoxylated|Castor oil,ethoxylated|Cemulsol BR|Chemax CO|Chemax CO 16|Chemax CO 200/50|Chemax CO 5|Chemax CO 80|Cremaphor|Cremophor EL Castor Oil|EC No.: 500-151-7|Emalex C 20|Emalex C 50|Emulan EL|Emulan ELP|Emulan ELP 11|Emulan EO 40|Emulan L 200|Emulphor EL 620|Emulphor EL 620P|Emulphor EL 719|Emulphor EL 749|Emulphor EL 980|Emulphor EL-620|Emulpon EL 20|Emulpon |107853-28-1|1309581-05-2|1384935-33-4|193363-08-5|2091900-74-0|286015-78-9|287181-21-9|339268-85-8|439806-92-5|53571-36-1|56257-95-5|57572-22-2|58076-69-0|58968-70-0|58985-57-2|60364-31-0|60649-23-2|60746-65-8|65862-71-7|71123-59-6|8035-98-1|8047-16-3|8051-35-2|8051-83-0|8051-90-9|9038-23-7|921590-10-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047696
ERPathway2016 ERPathway2016_1044 Cremophor EL 61791-12-6 DTXSID2047696 ER Pathway Model, Agonist Model Score 0 Unitless Cremophor EL 61791-12-6|Cremophor EL|Acconon CA 15|Acconon CA 5|Acconon CA 9|Actinol CS 40|Agnique CSO 40B|Agnique CSO 44F|Alkamuls 14R|Alkamuls 719E|Alkamuls B|Alkamuls EL 620|Alkamuls EL 985|Alkamuls OR 10|Alkamuls OR 36|Alkamuls OR 40|Alkamuls RC|Alkasurf CO 10|Alkasurf CO 15|Alkasurf CO 25B|Alkasurf CO 40|Arlatone 285|Arlatone 650|Atlas G 1281|Atlas G 1284|Atlas G 1300|Bio-Soft HR 40|Bio-Soft HR 55|Caster oil ethoxylated|Castor oil polyoxyethylene ether|Castor oil, ethoxylated|Castor oil, ethoxylated (36 mol EO average molar ratio)|Castor oil, ethoxylated (4 mol EO average molar ratio)|Castor oil, ethylene glycol polymer|Castor oil, ethylene oxide reaction product|Castor oil, polyethoxylated|Castor oil,ethoxylated|Cemulsol BR|Chemax CO|Chemax CO 16|Chemax CO 200/50|Chemax CO 5|Chemax CO 80|Cremaphor|Cremophor EL Castor Oil|EC No.: 500-151-7|Emalex C 20|Emalex C 50|Emulan EL|Emulan ELP|Emulan ELP 11|Emulan EO 40|Emulan L 200|Emulphor EL 620|Emulphor EL 620P|Emulphor EL 719|Emulphor EL 749|Emulphor EL 980|Emulphor EL-620|Emulpon EL 20|Emulpon |107853-28-1|1309581-05-2|1384935-33-4|193363-08-5|2091900-74-0|286015-78-9|287181-21-9|339268-85-8|439806-92-5|53571-36-1|56257-95-5|57572-22-2|58076-69-0|58968-70-0|58985-57-2|60364-31-0|60649-23-2|60746-65-8|65862-71-7|71123-59-6|8035-98-1|8047-16-3|8051-35-2|8051-83-0|8051-90-9|9038-23-7|921590-10-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047696
ERPathway2016 ERPathway2016_1044 Cremophor EL 61791-12-6 DTXSID2047696 ER Pathway Model, Antagonist Model Score 0 Unitless Cremophor EL 61791-12-6|Cremophor EL|Acconon CA 15|Acconon CA 5|Acconon CA 9|Actinol CS 40|Agnique CSO 40B|Agnique CSO 44F|Alkamuls 14R|Alkamuls 719E|Alkamuls B|Alkamuls EL 620|Alkamuls EL 985|Alkamuls OR 10|Alkamuls OR 36|Alkamuls OR 40|Alkamuls RC|Alkasurf CO 10|Alkasurf CO 15|Alkasurf CO 25B|Alkasurf CO 40|Arlatone 285|Arlatone 650|Atlas G 1281|Atlas G 1284|Atlas G 1300|Bio-Soft HR 40|Bio-Soft HR 55|Caster oil ethoxylated|Castor oil polyoxyethylene ether|Castor oil, ethoxylated|Castor oil, ethoxylated (36 mol EO average molar ratio)|Castor oil, ethoxylated (4 mol EO average molar ratio)|Castor oil, ethylene glycol polymer|Castor oil, ethylene oxide reaction product|Castor oil, polyethoxylated|Castor oil,ethoxylated|Cemulsol BR|Chemax CO|Chemax CO 16|Chemax CO 200/50|Chemax CO 5|Chemax CO 80|Cremaphor|Cremophor EL Castor Oil|EC No.: 500-151-7|Emalex C 20|Emalex C 50|Emulan EL|Emulan ELP|Emulan ELP 11|Emulan EO 40|Emulan L 200|Emulphor EL 620|Emulphor EL 620P|Emulphor EL 719|Emulphor EL 749|Emulphor EL 980|Emulphor EL-620|Emulpon EL 20|Emulpon |107853-28-1|1309581-05-2|1384935-33-4|193363-08-5|2091900-74-0|286015-78-9|287181-21-9|339268-85-8|439806-92-5|53571-36-1|56257-95-5|57572-22-2|58076-69-0|58968-70-0|58985-57-2|60364-31-0|60649-23-2|60746-65-8|65862-71-7|71123-59-6|8035-98-1|8047-16-3|8051-35-2|8051-83-0|8051-90-9|9038-23-7|921590-10-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047696
ERPathway2016 ERPathway2016_1044 Cremophor EL 61791-12-6 DTXSID2047696 ER Pathway Model, Agonist Call Inactive Unitless Cremophor EL 61791-12-6|Cremophor EL|Acconon CA 15|Acconon CA 5|Acconon CA 9|Actinol CS 40|Agnique CSO 40B|Agnique CSO 44F|Alkamuls 14R|Alkamuls 719E|Alkamuls B|Alkamuls EL 620|Alkamuls EL 985|Alkamuls OR 10|Alkamuls OR 36|Alkamuls OR 40|Alkamuls RC|Alkasurf CO 10|Alkasurf CO 15|Alkasurf CO 25B|Alkasurf CO 40|Arlatone 285|Arlatone 650|Atlas G 1281|Atlas G 1284|Atlas G 1300|Bio-Soft HR 40|Bio-Soft HR 55|Caster oil ethoxylated|Castor oil polyoxyethylene ether|Castor oil, ethoxylated|Castor oil, ethoxylated (36 mol EO average molar ratio)|Castor oil, ethoxylated (4 mol EO average molar ratio)|Castor oil, ethylene glycol polymer|Castor oil, ethylene oxide reaction product|Castor oil, polyethoxylated|Castor oil,ethoxylated|Cemulsol BR|Chemax CO|Chemax CO 16|Chemax CO 200/50|Chemax CO 5|Chemax CO 80|Cremaphor|Cremophor EL Castor Oil|EC No.: 500-151-7|Emalex C 20|Emalex C 50|Emulan EL|Emulan ELP|Emulan ELP 11|Emulan EO 40|Emulan L 200|Emulphor EL 620|Emulphor EL 620P|Emulphor EL 719|Emulphor EL 749|Emulphor EL 980|Emulphor EL-620|Emulpon EL 20|Emulpon |107853-28-1|1309581-05-2|1384935-33-4|193363-08-5|2091900-74-0|286015-78-9|287181-21-9|339268-85-8|439806-92-5|53571-36-1|56257-95-5|57572-22-2|58076-69-0|58968-70-0|58985-57-2|60364-31-0|60649-23-2|60746-65-8|65862-71-7|71123-59-6|8035-98-1|8047-16-3|8051-35-2|8051-83-0|8051-90-9|9038-23-7|921590-10-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047696
ERPathway2016 ERPathway2016_1044 Cremophor EL 61791-12-6 DTXSID2047696 ER Pathway Model, Antagonist Call Inactive Unitless Cremophor EL 61791-12-6|Cremophor EL|Acconon CA 15|Acconon CA 5|Acconon CA 9|Actinol CS 40|Agnique CSO 40B|Agnique CSO 44F|Alkamuls 14R|Alkamuls 719E|Alkamuls B|Alkamuls EL 620|Alkamuls EL 985|Alkamuls OR 10|Alkamuls OR 36|Alkamuls OR 40|Alkamuls RC|Alkasurf CO 10|Alkasurf CO 15|Alkasurf CO 25B|Alkasurf CO 40|Arlatone 285|Arlatone 650|Atlas G 1281|Atlas G 1284|Atlas G 1300|Bio-Soft HR 40|Bio-Soft HR 55|Caster oil ethoxylated|Castor oil polyoxyethylene ether|Castor oil, ethoxylated|Castor oil, ethoxylated (36 mol EO average molar ratio)|Castor oil, ethoxylated (4 mol EO average molar ratio)|Castor oil, ethylene glycol polymer|Castor oil, ethylene oxide reaction product|Castor oil, polyethoxylated|Castor oil,ethoxylated|Cemulsol BR|Chemax CO|Chemax CO 16|Chemax CO 200/50|Chemax CO 5|Chemax CO 80|Cremaphor|Cremophor EL Castor Oil|EC No.: 500-151-7|Emalex C 20|Emalex C 50|Emulan EL|Emulan ELP|Emulan ELP 11|Emulan EO 40|Emulan L 200|Emulphor EL 620|Emulphor EL 620P|Emulphor EL 719|Emulphor EL 749|Emulphor EL 980|Emulphor EL-620|Emulpon EL 20|Emulpon |107853-28-1|1309581-05-2|1384935-33-4|193363-08-5|2091900-74-0|286015-78-9|287181-21-9|339268-85-8|439806-92-5|53571-36-1|56257-95-5|57572-22-2|58076-69-0|58968-70-0|58985-57-2|60364-31-0|60649-23-2|60746-65-8|65862-71-7|71123-59-6|8035-98-1|8047-16-3|8051-35-2|8051-83-0|8051-90-9|9038-23-7|921590-10-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047696
ARPathway2016 ARPathway2016_1601 Cumene hydroperoxide 80-15-9 DTXSID3024869 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(OO)C1=CC=CC=C1 Cumene hydroperoxide 80-15-9|Cumene hydroperoxide|1-Methyl-1-phenylethyl hydroperoxide|1-Methyl-1-phenylethylhydroperoxide|2-Hydroperoxy-2-phenylpropane|2-Phenyl-2-propyl hydroperoxide|2-Phenylpropyl hydroperoxide|4-06-00-03221|7-Cumyl hydroperoxide|7-Hydroperoxykumen|alpha-Cumene hydroperoxide|alpha-Cumyl hydroperoxide|alpha,alpha-Dimethylbenzyl hydroperoxide|alpha,alpha-Dimethylbenzylhydroperoxide|BRN 1908117|CHP|Cumeenhydroperoxyde|Cumen hydroperoxide|Cumenehydroperoxide|Cument hydroperoxide|Cumenyl hydroperoxide|CUMOL-HYDROPEROXID|Cumolhydroperoxid|Cumolhydroperoxide|Cumyl hydrogen peroxide|Cumyl hydroperoxide|EINECS 201-254-7|hidroperoxido de a-a-dimetilbencilo|Hydroperoxide de cumene|Hydroperoxide, 1-methyl-1-phenylethyl|HYDROPEROXIDE, 1-METHYL-PHENYLETHYL-|Hydroperoxide, a,a-dimethylbenzyl|Hydroperoxyde de cumene|Hydroperoxyde de cumyle|Hydroperoxyde de a,a-dimethylbenzyle|Hyperiz|Idroperossido di cumene|Idroperossido di cumolo|Isopropylbenzene hydroperoxide|Kayacumene H|Kumenylhydroperoxid|Luperox CU 90|Percumyl H|Percumyl H 18|Percumyl H 80|RC|79568-78-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024869 https://doi.org/10.22427/NTP-DATA-DTXSID3024869
ARPathway2016 ARPathway2016_1601 Cumene hydroperoxide 80-15-9 DTXSID3024869 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(OO)C1=CC=CC=C1 Cumene hydroperoxide 80-15-9|Cumene hydroperoxide|1-Methyl-1-phenylethyl hydroperoxide|1-Methyl-1-phenylethylhydroperoxide|2-Hydroperoxy-2-phenylpropane|2-Phenyl-2-propyl hydroperoxide|2-Phenylpropyl hydroperoxide|4-06-00-03221|7-Cumyl hydroperoxide|7-Hydroperoxykumen|alpha-Cumene hydroperoxide|alpha-Cumyl hydroperoxide|alpha,alpha-Dimethylbenzyl hydroperoxide|alpha,alpha-Dimethylbenzylhydroperoxide|BRN 1908117|CHP|Cumeenhydroperoxyde|Cumen hydroperoxide|Cumenehydroperoxide|Cument hydroperoxide|Cumenyl hydroperoxide|CUMOL-HYDROPEROXID|Cumolhydroperoxid|Cumolhydroperoxide|Cumyl hydrogen peroxide|Cumyl hydroperoxide|EINECS 201-254-7|hidroperoxido de a-a-dimetilbencilo|Hydroperoxide de cumene|Hydroperoxide, 1-methyl-1-phenylethyl|HYDROPEROXIDE, 1-METHYL-PHENYLETHYL-|Hydroperoxide, a,a-dimethylbenzyl|Hydroperoxyde de cumene|Hydroperoxyde de cumyle|Hydroperoxyde de a,a-dimethylbenzyle|Hyperiz|Idroperossido di cumene|Idroperossido di cumolo|Isopropylbenzene hydroperoxide|Kayacumene H|Kumenylhydroperoxid|Luperox CU 90|Percumyl H|Percumyl H 18|Percumyl H 80|RC|79568-78-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024869 https://doi.org/10.22427/NTP-DATA-DTXSID3024869
ARPathway2016 ARPathway2016_1601 Cumene hydroperoxide 80-15-9 DTXSID3024869 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(OO)C1=CC=CC=C1 Cumene hydroperoxide 80-15-9|Cumene hydroperoxide|1-Methyl-1-phenylethyl hydroperoxide|1-Methyl-1-phenylethylhydroperoxide|2-Hydroperoxy-2-phenylpropane|2-Phenyl-2-propyl hydroperoxide|2-Phenylpropyl hydroperoxide|4-06-00-03221|7-Cumyl hydroperoxide|7-Hydroperoxykumen|alpha-Cumene hydroperoxide|alpha-Cumyl hydroperoxide|alpha,alpha-Dimethylbenzyl hydroperoxide|alpha,alpha-Dimethylbenzylhydroperoxide|BRN 1908117|CHP|Cumeenhydroperoxyde|Cumen hydroperoxide|Cumenehydroperoxide|Cument hydroperoxide|Cumenyl hydroperoxide|CUMOL-HYDROPEROXID|Cumolhydroperoxid|Cumolhydroperoxide|Cumyl hydrogen peroxide|Cumyl hydroperoxide|EINECS 201-254-7|hidroperoxido de a-a-dimetilbencilo|Hydroperoxide de cumene|Hydroperoxide, 1-methyl-1-phenylethyl|HYDROPEROXIDE, 1-METHYL-PHENYLETHYL-|Hydroperoxide, a,a-dimethylbenzyl|Hydroperoxyde de cumene|Hydroperoxyde de cumyle|Hydroperoxyde de a,a-dimethylbenzyle|Hyperiz|Idroperossido di cumene|Idroperossido di cumolo|Isopropylbenzene hydroperoxide|Kayacumene H|Kumenylhydroperoxid|Luperox CU 90|Percumyl H|Percumyl H 18|Percumyl H 80|RC|79568-78-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024869 https://doi.org/10.22427/NTP-DATA-DTXSID3024869
ARPathway2016 ARPathway2016_1601 Cumene hydroperoxide 80-15-9 DTXSID3024869 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(OO)C1=CC=CC=C1 Cumene hydroperoxide 80-15-9|Cumene hydroperoxide|1-Methyl-1-phenylethyl hydroperoxide|1-Methyl-1-phenylethylhydroperoxide|2-Hydroperoxy-2-phenylpropane|2-Phenyl-2-propyl hydroperoxide|2-Phenylpropyl hydroperoxide|4-06-00-03221|7-Cumyl hydroperoxide|7-Hydroperoxykumen|alpha-Cumene hydroperoxide|alpha-Cumyl hydroperoxide|alpha,alpha-Dimethylbenzyl hydroperoxide|alpha,alpha-Dimethylbenzylhydroperoxide|BRN 1908117|CHP|Cumeenhydroperoxyde|Cumen hydroperoxide|Cumenehydroperoxide|Cument hydroperoxide|Cumenyl hydroperoxide|CUMOL-HYDROPEROXID|Cumolhydroperoxid|Cumolhydroperoxide|Cumyl hydrogen peroxide|Cumyl hydroperoxide|EINECS 201-254-7|hidroperoxido de a-a-dimetilbencilo|Hydroperoxide de cumene|Hydroperoxide, 1-methyl-1-phenylethyl|HYDROPEROXIDE, 1-METHYL-PHENYLETHYL-|Hydroperoxide, a,a-dimethylbenzyl|Hydroperoxyde de cumene|Hydroperoxyde de cumyle|Hydroperoxyde de a,a-dimethylbenzyle|Hyperiz|Idroperossido di cumene|Idroperossido di cumolo|Isopropylbenzene hydroperoxide|Kayacumene H|Kumenylhydroperoxid|Luperox CU 90|Percumyl H|Percumyl H 18|Percumyl H 80|RC|79568-78-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024869 https://doi.org/10.22427/NTP-DATA-DTXSID3024869
ERPathway2016 ERPathway2016_1022 Cumene hydroperoxide 80-15-9 DTXSID3024869 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(OO)C1=CC=CC=C1 Cumene hydroperoxide 80-15-9|Cumene hydroperoxide|1-Methyl-1-phenylethyl hydroperoxide|1-Methyl-1-phenylethylhydroperoxide|2-Hydroperoxy-2-phenylpropane|2-Phenyl-2-propyl hydroperoxide|2-Phenylpropyl hydroperoxide|4-06-00-03221|7-Cumyl hydroperoxide|7-Hydroperoxykumen|alpha-Cumene hydroperoxide|alpha-Cumyl hydroperoxide|alpha,alpha-Dimethylbenzyl hydroperoxide|alpha,alpha-Dimethylbenzylhydroperoxide|BRN 1908117|CHP|Cumeenhydroperoxyde|Cumen hydroperoxide|Cumenehydroperoxide|Cument hydroperoxide|Cumenyl hydroperoxide|CUMOL-HYDROPEROXID|Cumolhydroperoxid|Cumolhydroperoxide|Cumyl hydrogen peroxide|Cumyl hydroperoxide|EINECS 201-254-7|hidroperoxido de a-a-dimetilbencilo|Hydroperoxide de cumene|Hydroperoxide, 1-methyl-1-phenylethyl|HYDROPEROXIDE, 1-METHYL-PHENYLETHYL-|Hydroperoxide, a,a-dimethylbenzyl|Hydroperoxyde de cumene|Hydroperoxyde de cumyle|Hydroperoxyde de a,a-dimethylbenzyle|Hyperiz|Idroperossido di cumene|Idroperossido di cumolo|Isopropylbenzene hydroperoxide|Kayacumene H|Kumenylhydroperoxid|Luperox CU 90|Percumyl H|Percumyl H 18|Percumyl H 80|RC|79568-78-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024869 https://doi.org/10.22427/NTP-DATA-DTXSID3024869
ERPathway2016 ERPathway2016_1022 Cumene hydroperoxide 80-15-9 DTXSID3024869 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(OO)C1=CC=CC=C1 Cumene hydroperoxide 80-15-9|Cumene hydroperoxide|1-Methyl-1-phenylethyl hydroperoxide|1-Methyl-1-phenylethylhydroperoxide|2-Hydroperoxy-2-phenylpropane|2-Phenyl-2-propyl hydroperoxide|2-Phenylpropyl hydroperoxide|4-06-00-03221|7-Cumyl hydroperoxide|7-Hydroperoxykumen|alpha-Cumene hydroperoxide|alpha-Cumyl hydroperoxide|alpha,alpha-Dimethylbenzyl hydroperoxide|alpha,alpha-Dimethylbenzylhydroperoxide|BRN 1908117|CHP|Cumeenhydroperoxyde|Cumen hydroperoxide|Cumenehydroperoxide|Cument hydroperoxide|Cumenyl hydroperoxide|CUMOL-HYDROPEROXID|Cumolhydroperoxid|Cumolhydroperoxide|Cumyl hydrogen peroxide|Cumyl hydroperoxide|EINECS 201-254-7|hidroperoxido de a-a-dimetilbencilo|Hydroperoxide de cumene|Hydroperoxide, 1-methyl-1-phenylethyl|HYDROPEROXIDE, 1-METHYL-PHENYLETHYL-|Hydroperoxide, a,a-dimethylbenzyl|Hydroperoxyde de cumene|Hydroperoxyde de cumyle|Hydroperoxyde de a,a-dimethylbenzyle|Hyperiz|Idroperossido di cumene|Idroperossido di cumolo|Isopropylbenzene hydroperoxide|Kayacumene H|Kumenylhydroperoxid|Luperox CU 90|Percumyl H|Percumyl H 18|Percumyl H 80|RC|79568-78-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024869 https://doi.org/10.22427/NTP-DATA-DTXSID3024869
ERPathway2016 ERPathway2016_1022 Cumene hydroperoxide 80-15-9 DTXSID3024869 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(OO)C1=CC=CC=C1 Cumene hydroperoxide 80-15-9|Cumene hydroperoxide|1-Methyl-1-phenylethyl hydroperoxide|1-Methyl-1-phenylethylhydroperoxide|2-Hydroperoxy-2-phenylpropane|2-Phenyl-2-propyl hydroperoxide|2-Phenylpropyl hydroperoxide|4-06-00-03221|7-Cumyl hydroperoxide|7-Hydroperoxykumen|alpha-Cumene hydroperoxide|alpha-Cumyl hydroperoxide|alpha,alpha-Dimethylbenzyl hydroperoxide|alpha,alpha-Dimethylbenzylhydroperoxide|BRN 1908117|CHP|Cumeenhydroperoxyde|Cumen hydroperoxide|Cumenehydroperoxide|Cument hydroperoxide|Cumenyl hydroperoxide|CUMOL-HYDROPEROXID|Cumolhydroperoxid|Cumolhydroperoxide|Cumyl hydrogen peroxide|Cumyl hydroperoxide|EINECS 201-254-7|hidroperoxido de a-a-dimetilbencilo|Hydroperoxide de cumene|Hydroperoxide, 1-methyl-1-phenylethyl|HYDROPEROXIDE, 1-METHYL-PHENYLETHYL-|Hydroperoxide, a,a-dimethylbenzyl|Hydroperoxyde de cumene|Hydroperoxyde de cumyle|Hydroperoxyde de a,a-dimethylbenzyle|Hyperiz|Idroperossido di cumene|Idroperossido di cumolo|Isopropylbenzene hydroperoxide|Kayacumene H|Kumenylhydroperoxid|Luperox CU 90|Percumyl H|Percumyl H 18|Percumyl H 80|RC|79568-78-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024869 https://doi.org/10.22427/NTP-DATA-DTXSID3024869
ERPathway2016 ERPathway2016_1022 Cumene hydroperoxide 80-15-9 DTXSID3024869 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(OO)C1=CC=CC=C1 Cumene hydroperoxide 80-15-9|Cumene hydroperoxide|1-Methyl-1-phenylethyl hydroperoxide|1-Methyl-1-phenylethylhydroperoxide|2-Hydroperoxy-2-phenylpropane|2-Phenyl-2-propyl hydroperoxide|2-Phenylpropyl hydroperoxide|4-06-00-03221|7-Cumyl hydroperoxide|7-Hydroperoxykumen|alpha-Cumene hydroperoxide|alpha-Cumyl hydroperoxide|alpha,alpha-Dimethylbenzyl hydroperoxide|alpha,alpha-Dimethylbenzylhydroperoxide|BRN 1908117|CHP|Cumeenhydroperoxyde|Cumen hydroperoxide|Cumenehydroperoxide|Cument hydroperoxide|Cumenyl hydroperoxide|CUMOL-HYDROPEROXID|Cumolhydroperoxid|Cumolhydroperoxide|Cumyl hydrogen peroxide|Cumyl hydroperoxide|EINECS 201-254-7|hidroperoxido de a-a-dimetilbencilo|Hydroperoxide de cumene|Hydroperoxide, 1-methyl-1-phenylethyl|HYDROPEROXIDE, 1-METHYL-PHENYLETHYL-|Hydroperoxide, a,a-dimethylbenzyl|Hydroperoxyde de cumene|Hydroperoxyde de cumyle|Hydroperoxyde de a,a-dimethylbenzyle|Hyperiz|Idroperossido di cumene|Idroperossido di cumolo|Isopropylbenzene hydroperoxide|Kayacumene H|Kumenylhydroperoxid|Luperox CU 90|Percumyl H|Percumyl H 18|Percumyl H 80|RC|79568-78-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024869 https://doi.org/10.22427/NTP-DATA-DTXSID3024869
ARPathway2016 ARPathway2016_801 Cupferron 135-20-6 DTXSID1020352 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [NH4+].[O-]N(N=O)C1=CC=CC=C1 Cupferron 135-20-6|Cupferron|Ammonium cupferron|Ammonium N-nitrosophenylhydroxylamine|Ammonium nitroso-beta-phenylhydroxylamine|Ammonium-N-nitrosophenylhydroxylamine|Benzenamine, N-hydroxy-N-nitroso-, ammonium salt (1:1)|Cupferon|Cupferron, ammonium salt|EINECS 205-183-2|Kupferon|Kupferron|N-Hydroxy-N-nitroso-benzenamine, ammonium salt|N-Nitroso-N-phenylhydroxylamine ammonium salt|N-Nitrosofenylhydroxylamin amonny|N-Nitrosophenylhydroxylamin ammonium salz|N-Nitrosophenylhydroxylamine ammonium salt|NCI-C03258|NSC 112124|UNII-V66QK963ED|125141-56-2|21255-91-4|7564-70-7|862780-68-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020352 https://doi.org/10.22427/NTP-DATA-DTXSID1020352
ARPathway2016 ARPathway2016_801 Cupferron 135-20-6 DTXSID1020352 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [NH4+].[O-]N(N=O)C1=CC=CC=C1 Cupferron 135-20-6|Cupferron|Ammonium cupferron|Ammonium N-nitrosophenylhydroxylamine|Ammonium nitroso-beta-phenylhydroxylamine|Ammonium-N-nitrosophenylhydroxylamine|Benzenamine, N-hydroxy-N-nitroso-, ammonium salt (1:1)|Cupferon|Cupferron, ammonium salt|EINECS 205-183-2|Kupferon|Kupferron|N-Hydroxy-N-nitroso-benzenamine, ammonium salt|N-Nitroso-N-phenylhydroxylamine ammonium salt|N-Nitrosofenylhydroxylamin amonny|N-Nitrosophenylhydroxylamin ammonium salz|N-Nitrosophenylhydroxylamine ammonium salt|NCI-C03258|NSC 112124|UNII-V66QK963ED|125141-56-2|21255-91-4|7564-70-7|862780-68-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020352 https://doi.org/10.22427/NTP-DATA-DTXSID1020352
ARPathway2016 ARPathway2016_801 Cupferron 135-20-6 DTXSID1020352 0.0 AR Pathway Model, Agonist Call Inactive Unitless [NH4+].[O-]N(N=O)C1=CC=CC=C1 Cupferron 135-20-6|Cupferron|Ammonium cupferron|Ammonium N-nitrosophenylhydroxylamine|Ammonium nitroso-beta-phenylhydroxylamine|Ammonium-N-nitrosophenylhydroxylamine|Benzenamine, N-hydroxy-N-nitroso-, ammonium salt (1:1)|Cupferon|Cupferron, ammonium salt|EINECS 205-183-2|Kupferon|Kupferron|N-Hydroxy-N-nitroso-benzenamine, ammonium salt|N-Nitroso-N-phenylhydroxylamine ammonium salt|N-Nitrosofenylhydroxylamin amonny|N-Nitrosophenylhydroxylamin ammonium salz|N-Nitrosophenylhydroxylamine ammonium salt|NCI-C03258|NSC 112124|UNII-V66QK963ED|125141-56-2|21255-91-4|7564-70-7|862780-68-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020352 https://doi.org/10.22427/NTP-DATA-DTXSID1020352
ARPathway2016 ARPathway2016_801 Cupferron 135-20-6 DTXSID1020352 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [NH4+].[O-]N(N=O)C1=CC=CC=C1 Cupferron 135-20-6|Cupferron|Ammonium cupferron|Ammonium N-nitrosophenylhydroxylamine|Ammonium nitroso-beta-phenylhydroxylamine|Ammonium-N-nitrosophenylhydroxylamine|Benzenamine, N-hydroxy-N-nitroso-, ammonium salt (1:1)|Cupferon|Cupferron, ammonium salt|EINECS 205-183-2|Kupferon|Kupferron|N-Hydroxy-N-nitroso-benzenamine, ammonium salt|N-Nitroso-N-phenylhydroxylamine ammonium salt|N-Nitrosofenylhydroxylamin amonny|N-Nitrosophenylhydroxylamin ammonium salz|N-Nitrosophenylhydroxylamine ammonium salt|NCI-C03258|NSC 112124|UNII-V66QK963ED|125141-56-2|21255-91-4|7564-70-7|862780-68-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020352 https://doi.org/10.22427/NTP-DATA-DTXSID1020352
ERPathway2016 ERPathway2016_330 Cupferron 135-20-6 DTXSID1020352 ER Pathway Model, Antagonist AC50 38.1995195501964 uM [NH4+].[O-]N(N=O)C1=CC=CC=C1 Cupferron 135-20-6|Cupferron|Ammonium cupferron|Ammonium N-nitrosophenylhydroxylamine|Ammonium nitroso-beta-phenylhydroxylamine|Ammonium-N-nitrosophenylhydroxylamine|Benzenamine, N-hydroxy-N-nitroso-, ammonium salt (1:1)|Cupferon|Cupferron, ammonium salt|EINECS 205-183-2|Kupferon|Kupferron|N-Hydroxy-N-nitroso-benzenamine, ammonium salt|N-Nitroso-N-phenylhydroxylamine ammonium salt|N-Nitrosofenylhydroxylamin amonny|N-Nitrosophenylhydroxylamin ammonium salz|N-Nitrosophenylhydroxylamine ammonium salt|NCI-C03258|NSC 112124|UNII-V66QK963ED|125141-56-2|21255-91-4|7564-70-7|862780-68-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020352 https://doi.org/10.22427/NTP-DATA-DTXSID1020352
ERPathway2016 ERPathway2016_330 Cupferron 135-20-6 DTXSID1020352 ER Pathway Model, Antagonist ACC 16.744427245358 uM [NH4+].[O-]N(N=O)C1=CC=CC=C1 Cupferron 135-20-6|Cupferron|Ammonium cupferron|Ammonium N-nitrosophenylhydroxylamine|Ammonium nitroso-beta-phenylhydroxylamine|Ammonium-N-nitrosophenylhydroxylamine|Benzenamine, N-hydroxy-N-nitroso-, ammonium salt (1:1)|Cupferon|Cupferron, ammonium salt|EINECS 205-183-2|Kupferon|Kupferron|N-Hydroxy-N-nitroso-benzenamine, ammonium salt|N-Nitroso-N-phenylhydroxylamine ammonium salt|N-Nitrosofenylhydroxylamin amonny|N-Nitrosophenylhydroxylamin ammonium salz|N-Nitrosophenylhydroxylamine ammonium salt|NCI-C03258|NSC 112124|UNII-V66QK963ED|125141-56-2|21255-91-4|7564-70-7|862780-68-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020352 https://doi.org/10.22427/NTP-DATA-DTXSID1020352
ERPathway2016 ERPathway2016_330 Cupferron 135-20-6 DTXSID1020352 ER Pathway Model, Agonist Model Score 0.0224 Unitless [NH4+].[O-]N(N=O)C1=CC=CC=C1 Cupferron 135-20-6|Cupferron|Ammonium cupferron|Ammonium N-nitrosophenylhydroxylamine|Ammonium nitroso-beta-phenylhydroxylamine|Ammonium-N-nitrosophenylhydroxylamine|Benzenamine, N-hydroxy-N-nitroso-, ammonium salt (1:1)|Cupferon|Cupferron, ammonium salt|EINECS 205-183-2|Kupferon|Kupferron|N-Hydroxy-N-nitroso-benzenamine, ammonium salt|N-Nitroso-N-phenylhydroxylamine ammonium salt|N-Nitrosofenylhydroxylamin amonny|N-Nitrosophenylhydroxylamin ammonium salz|N-Nitrosophenylhydroxylamine ammonium salt|NCI-C03258|NSC 112124|UNII-V66QK963ED|125141-56-2|21255-91-4|7564-70-7|862780-68-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020352 https://doi.org/10.22427/NTP-DATA-DTXSID1020352
ERPathway2016 ERPathway2016_330 Cupferron 135-20-6 DTXSID1020352 ER Pathway Model, Antagonist Model Score 0 Unitless [NH4+].[O-]N(N=O)C1=CC=CC=C1 Cupferron 135-20-6|Cupferron|Ammonium cupferron|Ammonium N-nitrosophenylhydroxylamine|Ammonium nitroso-beta-phenylhydroxylamine|Ammonium-N-nitrosophenylhydroxylamine|Benzenamine, N-hydroxy-N-nitroso-, ammonium salt (1:1)|Cupferon|Cupferron, ammonium salt|EINECS 205-183-2|Kupferon|Kupferron|N-Hydroxy-N-nitroso-benzenamine, ammonium salt|N-Nitroso-N-phenylhydroxylamine ammonium salt|N-Nitrosofenylhydroxylamin amonny|N-Nitrosophenylhydroxylamin ammonium salz|N-Nitrosophenylhydroxylamine ammonium salt|NCI-C03258|NSC 112124|UNII-V66QK963ED|125141-56-2|21255-91-4|7564-70-7|862780-68-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020352 https://doi.org/10.22427/NTP-DATA-DTXSID1020352
ERPathway2016 ERPathway2016_330 Cupferron 135-20-6 DTXSID1020352 ER Pathway Model, Agonist Call Inactive Unitless [NH4+].[O-]N(N=O)C1=CC=CC=C1 Cupferron 135-20-6|Cupferron|Ammonium cupferron|Ammonium N-nitrosophenylhydroxylamine|Ammonium nitroso-beta-phenylhydroxylamine|Ammonium-N-nitrosophenylhydroxylamine|Benzenamine, N-hydroxy-N-nitroso-, ammonium salt (1:1)|Cupferon|Cupferron, ammonium salt|EINECS 205-183-2|Kupferon|Kupferron|N-Hydroxy-N-nitroso-benzenamine, ammonium salt|N-Nitroso-N-phenylhydroxylamine ammonium salt|N-Nitrosofenylhydroxylamin amonny|N-Nitrosophenylhydroxylamin ammonium salz|N-Nitrosophenylhydroxylamine ammonium salt|NCI-C03258|NSC 112124|UNII-V66QK963ED|125141-56-2|21255-91-4|7564-70-7|862780-68-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020352 https://doi.org/10.22427/NTP-DATA-DTXSID1020352
ERPathway2016 ERPathway2016_330 Cupferron 135-20-6 DTXSID1020352 ER Pathway Model, Antagonist Call Active Unitless [NH4+].[O-]N(N=O)C1=CC=CC=C1 Cupferron 135-20-6|Cupferron|Ammonium cupferron|Ammonium N-nitrosophenylhydroxylamine|Ammonium nitroso-beta-phenylhydroxylamine|Ammonium-N-nitrosophenylhydroxylamine|Benzenamine, N-hydroxy-N-nitroso-, ammonium salt (1:1)|Cupferon|Cupferron, ammonium salt|EINECS 205-183-2|Kupferon|Kupferron|N-Hydroxy-N-nitroso-benzenamine, ammonium salt|N-Nitroso-N-phenylhydroxylamine ammonium salt|N-Nitrosofenylhydroxylamin amonny|N-Nitrosophenylhydroxylamin ammonium salz|N-Nitrosophenylhydroxylamine ammonium salt|NCI-C03258|NSC 112124|UNII-V66QK963ED|125141-56-2|21255-91-4|7564-70-7|862780-68-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020352 https://doi.org/10.22427/NTP-DATA-DTXSID1020352
ARPathway2016 ARPathway2016_1199 Cyanamide 420-04-2 DTXSID9034490 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC#N Cyanamide 420-04-2|Cyanamide|4-03-00-00145|Alzogur|Amidocyanogen|BRN 1732569|Carbamonitrile|Carbimide|Caswell No. 485A|cianamida|Cyanoamine|Cyanogen nitride|Cyanogenamide|Deurbraak|EINECS 206-992-3|EPA Pesticide Chemical Code 014002|H2N-C#N|Hydrogen cyanamide|hydrogen-cyanamide|N-Cyanoamine|NH2CN|NSC 24133|UN 3276|UNII-21CP7826LC|USAF EK-1995|32729-71-8|65931-45-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034490
ARPathway2016 ARPathway2016_1199 Cyanamide 420-04-2 DTXSID9034490 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC#N Cyanamide 420-04-2|Cyanamide|4-03-00-00145|Alzogur|Amidocyanogen|BRN 1732569|Carbamonitrile|Carbimide|Caswell No. 485A|cianamida|Cyanoamine|Cyanogen nitride|Cyanogenamide|Deurbraak|EINECS 206-992-3|EPA Pesticide Chemical Code 014002|H2N-C#N|Hydrogen cyanamide|hydrogen-cyanamide|N-Cyanoamine|NH2CN|NSC 24133|UN 3276|UNII-21CP7826LC|USAF EK-1995|32729-71-8|65931-45-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034490
ARPathway2016 ARPathway2016_1199 Cyanamide 420-04-2 DTXSID9034490 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC#N Cyanamide 420-04-2|Cyanamide|4-03-00-00145|Alzogur|Amidocyanogen|BRN 1732569|Carbamonitrile|Carbimide|Caswell No. 485A|cianamida|Cyanoamine|Cyanogen nitride|Cyanogenamide|Deurbraak|EINECS 206-992-3|EPA Pesticide Chemical Code 014002|H2N-C#N|Hydrogen cyanamide|hydrogen-cyanamide|N-Cyanoamine|NH2CN|NSC 24133|UN 3276|UNII-21CP7826LC|USAF EK-1995|32729-71-8|65931-45-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034490
ARPathway2016 ARPathway2016_1199 Cyanamide 420-04-2 DTXSID9034490 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC#N Cyanamide 420-04-2|Cyanamide|4-03-00-00145|Alzogur|Amidocyanogen|BRN 1732569|Carbamonitrile|Carbimide|Caswell No. 485A|cianamida|Cyanoamine|Cyanogen nitride|Cyanogenamide|Deurbraak|EINECS 206-992-3|EPA Pesticide Chemical Code 014002|H2N-C#N|Hydrogen cyanamide|hydrogen-cyanamide|N-Cyanoamine|NH2CN|NSC 24133|UN 3276|UNII-21CP7826LC|USAF EK-1995|32729-71-8|65931-45-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034490
ERPathway2016 ERPathway2016_837 Cyanamide 420-04-2 DTXSID9034490 ER Pathway Model, Agonist Model Score 0 Unitless NC#N Cyanamide 420-04-2|Cyanamide|4-03-00-00145|Alzogur|Amidocyanogen|BRN 1732569|Carbamonitrile|Carbimide|Caswell No. 485A|cianamida|Cyanoamine|Cyanogen nitride|Cyanogenamide|Deurbraak|EINECS 206-992-3|EPA Pesticide Chemical Code 014002|H2N-C#N|Hydrogen cyanamide|hydrogen-cyanamide|N-Cyanoamine|NH2CN|NSC 24133|UN 3276|UNII-21CP7826LC|USAF EK-1995|32729-71-8|65931-45-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034490
ERPathway2016 ERPathway2016_837 Cyanamide 420-04-2 DTXSID9034490 ER Pathway Model, Antagonist Model Score 0 Unitless NC#N Cyanamide 420-04-2|Cyanamide|4-03-00-00145|Alzogur|Amidocyanogen|BRN 1732569|Carbamonitrile|Carbimide|Caswell No. 485A|cianamida|Cyanoamine|Cyanogen nitride|Cyanogenamide|Deurbraak|EINECS 206-992-3|EPA Pesticide Chemical Code 014002|H2N-C#N|Hydrogen cyanamide|hydrogen-cyanamide|N-Cyanoamine|NH2CN|NSC 24133|UN 3276|UNII-21CP7826LC|USAF EK-1995|32729-71-8|65931-45-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034490
ERPathway2016 ERPathway2016_837 Cyanamide 420-04-2 DTXSID9034490 ER Pathway Model, Agonist Call Inactive Unitless NC#N Cyanamide 420-04-2|Cyanamide|4-03-00-00145|Alzogur|Amidocyanogen|BRN 1732569|Carbamonitrile|Carbimide|Caswell No. 485A|cianamida|Cyanoamine|Cyanogen nitride|Cyanogenamide|Deurbraak|EINECS 206-992-3|EPA Pesticide Chemical Code 014002|H2N-C#N|Hydrogen cyanamide|hydrogen-cyanamide|N-Cyanoamine|NH2CN|NSC 24133|UN 3276|UNII-21CP7826LC|USAF EK-1995|32729-71-8|65931-45-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034490
ERPathway2016 ERPathway2016_837 Cyanamide 420-04-2 DTXSID9034490 ER Pathway Model, Antagonist Call Inactive Unitless NC#N Cyanamide 420-04-2|Cyanamide|4-03-00-00145|Alzogur|Amidocyanogen|BRN 1732569|Carbamonitrile|Carbimide|Caswell No. 485A|cianamida|Cyanoamine|Cyanogen nitride|Cyanogenamide|Deurbraak|EINECS 206-992-3|EPA Pesticide Chemical Code 014002|H2N-C#N|Hydrogen cyanamide|hydrogen-cyanamide|N-Cyanoamine|NH2CN|NSC 24133|UN 3276|UNII-21CP7826LC|USAF EK-1995|32729-71-8|65931-45-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034490
ARPathway2016 ARPathway2016_1002 Cyanazine 21725-46-2 DTXSID1023990 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCNC1=NC(NC(C)(C)C#N)=NC(Cl)=N1 Cyanazine 21725-46-2|Cyanazine|2-((4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-2-methylpropanenitrile|2-((4-Chloro-6-(ethylamino)-s-triazin-2-yl)amino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-1,3,5-triazin-2-ylamino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-s-triazin-2-ylamino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-s-triazine-2-ylamino)-2-methyl-propionitrile|2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropionitrile|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamine-1,3,5-triazine|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-1,3,5-triazine|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-s-triazine|2-Chloro-4-ethylamino-6-(1-methyl-1-cyanoethylamino)-s-triazine|2-Chloro-4-ethylamino-6-(a,a-dimethylcyanomethyl)amino-1,3,5-triazine|5-26-08-00471|Bladex|Bladex 50WP|Bladex 80WP|Blanchol|BRN 0615509|Caswell No. 188C|cianazina|Cyanazin|DPX-R1957|EINECS 244-544-9|EPA Pesticide Chemical Code 100101|Fortrol|Propanenitrile, 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-|P|11096-88-1|12679-53-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023990
ARPathway2016 ARPathway2016_1002 Cyanazine 21725-46-2 DTXSID1023990 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCNC1=NC(NC(C)(C)C#N)=NC(Cl)=N1 Cyanazine 21725-46-2|Cyanazine|2-((4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-2-methylpropanenitrile|2-((4-Chloro-6-(ethylamino)-s-triazin-2-yl)amino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-1,3,5-triazin-2-ylamino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-s-triazin-2-ylamino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-s-triazine-2-ylamino)-2-methyl-propionitrile|2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropionitrile|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamine-1,3,5-triazine|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-1,3,5-triazine|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-s-triazine|2-Chloro-4-ethylamino-6-(1-methyl-1-cyanoethylamino)-s-triazine|2-Chloro-4-ethylamino-6-(a,a-dimethylcyanomethyl)amino-1,3,5-triazine|5-26-08-00471|Bladex|Bladex 50WP|Bladex 80WP|Blanchol|BRN 0615509|Caswell No. 188C|cianazina|Cyanazin|DPX-R1957|EINECS 244-544-9|EPA Pesticide Chemical Code 100101|Fortrol|Propanenitrile, 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-|P|11096-88-1|12679-53-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023990
ARPathway2016 ARPathway2016_1002 Cyanazine 21725-46-2 DTXSID1023990 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCNC1=NC(NC(C)(C)C#N)=NC(Cl)=N1 Cyanazine 21725-46-2|Cyanazine|2-((4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-2-methylpropanenitrile|2-((4-Chloro-6-(ethylamino)-s-triazin-2-yl)amino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-1,3,5-triazin-2-ylamino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-s-triazin-2-ylamino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-s-triazine-2-ylamino)-2-methyl-propionitrile|2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropionitrile|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamine-1,3,5-triazine|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-1,3,5-triazine|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-s-triazine|2-Chloro-4-ethylamino-6-(1-methyl-1-cyanoethylamino)-s-triazine|2-Chloro-4-ethylamino-6-(a,a-dimethylcyanomethyl)amino-1,3,5-triazine|5-26-08-00471|Bladex|Bladex 50WP|Bladex 80WP|Blanchol|BRN 0615509|Caswell No. 188C|cianazina|Cyanazin|DPX-R1957|EINECS 244-544-9|EPA Pesticide Chemical Code 100101|Fortrol|Propanenitrile, 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-|P|11096-88-1|12679-53-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023990
ARPathway2016 ARPathway2016_1002 Cyanazine 21725-46-2 DTXSID1023990 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCNC1=NC(NC(C)(C)C#N)=NC(Cl)=N1 Cyanazine 21725-46-2|Cyanazine|2-((4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-2-methylpropanenitrile|2-((4-Chloro-6-(ethylamino)-s-triazin-2-yl)amino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-1,3,5-triazin-2-ylamino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-s-triazin-2-ylamino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-s-triazine-2-ylamino)-2-methyl-propionitrile|2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropionitrile|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamine-1,3,5-triazine|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-1,3,5-triazine|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-s-triazine|2-Chloro-4-ethylamino-6-(1-methyl-1-cyanoethylamino)-s-triazine|2-Chloro-4-ethylamino-6-(a,a-dimethylcyanomethyl)amino-1,3,5-triazine|5-26-08-00471|Bladex|Bladex 50WP|Bladex 80WP|Blanchol|BRN 0615509|Caswell No. 188C|cianazina|Cyanazin|DPX-R1957|EINECS 244-544-9|EPA Pesticide Chemical Code 100101|Fortrol|Propanenitrile, 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-|P|11096-88-1|12679-53-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023990
ERPathway2016 ERPathway2016_788 Cyanazine 21725-46-2 DTXSID1023990 ER Pathway Model, Agonist Model Score 0 Unitless CCNC1=NC(NC(C)(C)C#N)=NC(Cl)=N1 Cyanazine 21725-46-2|Cyanazine|2-((4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-2-methylpropanenitrile|2-((4-Chloro-6-(ethylamino)-s-triazin-2-yl)amino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-1,3,5-triazin-2-ylamino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-s-triazin-2-ylamino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-s-triazine-2-ylamino)-2-methyl-propionitrile|2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropionitrile|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamine-1,3,5-triazine|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-1,3,5-triazine|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-s-triazine|2-Chloro-4-ethylamino-6-(1-methyl-1-cyanoethylamino)-s-triazine|2-Chloro-4-ethylamino-6-(a,a-dimethylcyanomethyl)amino-1,3,5-triazine|5-26-08-00471|Bladex|Bladex 50WP|Bladex 80WP|Blanchol|BRN 0615509|Caswell No. 188C|cianazina|Cyanazin|DPX-R1957|EINECS 244-544-9|EPA Pesticide Chemical Code 100101|Fortrol|Propanenitrile, 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-|P|11096-88-1|12679-53-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023990
ERPathway2016 ERPathway2016_788 Cyanazine 21725-46-2 DTXSID1023990 ER Pathway Model, Antagonist Model Score 0 Unitless CCNC1=NC(NC(C)(C)C#N)=NC(Cl)=N1 Cyanazine 21725-46-2|Cyanazine|2-((4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-2-methylpropanenitrile|2-((4-Chloro-6-(ethylamino)-s-triazin-2-yl)amino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-1,3,5-triazin-2-ylamino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-s-triazin-2-ylamino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-s-triazine-2-ylamino)-2-methyl-propionitrile|2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropionitrile|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamine-1,3,5-triazine|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-1,3,5-triazine|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-s-triazine|2-Chloro-4-ethylamino-6-(1-methyl-1-cyanoethylamino)-s-triazine|2-Chloro-4-ethylamino-6-(a,a-dimethylcyanomethyl)amino-1,3,5-triazine|5-26-08-00471|Bladex|Bladex 50WP|Bladex 80WP|Blanchol|BRN 0615509|Caswell No. 188C|cianazina|Cyanazin|DPX-R1957|EINECS 244-544-9|EPA Pesticide Chemical Code 100101|Fortrol|Propanenitrile, 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-|P|11096-88-1|12679-53-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023990
ERPathway2016 ERPathway2016_788 Cyanazine 21725-46-2 DTXSID1023990 ER Pathway Model, Agonist Call Inactive Unitless CCNC1=NC(NC(C)(C)C#N)=NC(Cl)=N1 Cyanazine 21725-46-2|Cyanazine|2-((4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-2-methylpropanenitrile|2-((4-Chloro-6-(ethylamino)-s-triazin-2-yl)amino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-1,3,5-triazin-2-ylamino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-s-triazin-2-ylamino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-s-triazine-2-ylamino)-2-methyl-propionitrile|2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropionitrile|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamine-1,3,5-triazine|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-1,3,5-triazine|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-s-triazine|2-Chloro-4-ethylamino-6-(1-methyl-1-cyanoethylamino)-s-triazine|2-Chloro-4-ethylamino-6-(a,a-dimethylcyanomethyl)amino-1,3,5-triazine|5-26-08-00471|Bladex|Bladex 50WP|Bladex 80WP|Blanchol|BRN 0615509|Caswell No. 188C|cianazina|Cyanazin|DPX-R1957|EINECS 244-544-9|EPA Pesticide Chemical Code 100101|Fortrol|Propanenitrile, 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-|P|11096-88-1|12679-53-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023990
ERPathway2016 ERPathway2016_788 Cyanazine 21725-46-2 DTXSID1023990 ER Pathway Model, Antagonist Call Inactive Unitless CCNC1=NC(NC(C)(C)C#N)=NC(Cl)=N1 Cyanazine 21725-46-2|Cyanazine|2-((4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-2-methylpropanenitrile|2-((4-Chloro-6-(ethylamino)-s-triazin-2-yl)amino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-1,3,5-triazin-2-ylamino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-s-triazin-2-ylamino)-2-methylpropionitrile|2-(4-Chloro-6-ethylamino-s-triazine-2-ylamino)-2-methyl-propionitrile|2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropionitrile|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamine-1,3,5-triazine|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-1,3,5-triazine|2-Chloro-4-(1-cyano-1-methylethylamino)-6-ethylamino-s-triazine|2-Chloro-4-ethylamino-6-(1-methyl-1-cyanoethylamino)-s-triazine|2-Chloro-4-ethylamino-6-(a,a-dimethylcyanomethyl)amino-1,3,5-triazine|5-26-08-00471|Bladex|Bladex 50WP|Bladex 80WP|Blanchol|BRN 0615509|Caswell No. 188C|cianazina|Cyanazin|DPX-R1957|EINECS 244-544-9|EPA Pesticide Chemical Code 100101|Fortrol|Propanenitrile, 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-|P|11096-88-1|12679-53-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023990
ARPathway2016 ARPathway2016_1220 Cyanoguanidine 461-58-5 DTXSID1020354 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC(=N)NC#N Cyanoguanidine 461-58-5|Cyanoguanidine|1-CYANOGUANDINE|1-Cyanoguanidine|2-Cyanoguanidine|ACR-H 3636AS|Adeka EH 3636|Adeka EH 3636AS|Adeka ES 3636|Adeka Hardener EH 3636|Adeka Hardener ESES 3636AS|Adeka HT 2844|Ajicure AH 150|Amicure 3809|Amicure AH 150|Amicure AH 154|Amicure AH 162|Amicure CG 1200|Amicure CG 140|Amicure CG 1400|Amicure CG 200|Amicure CG 325|Araldite HT 986|Araldite XB 2879B|Araldite XB 2979B|Bakelite EPH 714|Bakelite VE 2560|cianoguanidina|Cyanguanidin|cyanoguanidine C2H4N4|DICY-FP|DICYAN DIAMIDE|DICYANDIAMID|Dicyandiamide|Dicyandiamin|Dicyanex 1400B|Dicyanex 200|Dicyanex 200X|Dicyanodiamide|Dyhard 100M|Dyhard 100S|Dyhard 100SF|Dyhard 100SH|Dyhard RU 100|Dyhard SF|EINECS 207-312-8|Epicure DICY|Epicure DICY 15|Epicure DICY 50|Epicure DICY 7|Epicure DICY 7A|Epicure DICY 7MD|Epicure DICY 7S|Epikure DICY 15|Epikure DICY 7|Erisys DDA 10|Guanadine, cyano-|GUANIDINE, 1-CYANO-|Guanidine, cyano-|Guanidine, N-cyano-|Hardener 3636AS|N-Cyanoguanidine|NSC 2031|Omicure DDA 5|Pyroset DO|UNII-M9B1R0C16H|125148-58-5|139351-77-2|139351-78-3|157480-33-6|166432-96-8|187414-06-8|205265-14-1|313058-80-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020354
ARPathway2016 ARPathway2016_1220 Cyanoguanidine 461-58-5 DTXSID1020354 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC(=N)NC#N Cyanoguanidine 461-58-5|Cyanoguanidine|1-CYANOGUANDINE|1-Cyanoguanidine|2-Cyanoguanidine|ACR-H 3636AS|Adeka EH 3636|Adeka EH 3636AS|Adeka ES 3636|Adeka Hardener EH 3636|Adeka Hardener ESES 3636AS|Adeka HT 2844|Ajicure AH 150|Amicure 3809|Amicure AH 150|Amicure AH 154|Amicure AH 162|Amicure CG 1200|Amicure CG 140|Amicure CG 1400|Amicure CG 200|Amicure CG 325|Araldite HT 986|Araldite XB 2879B|Araldite XB 2979B|Bakelite EPH 714|Bakelite VE 2560|cianoguanidina|Cyanguanidin|cyanoguanidine C2H4N4|DICY-FP|DICYAN DIAMIDE|DICYANDIAMID|Dicyandiamide|Dicyandiamin|Dicyanex 1400B|Dicyanex 200|Dicyanex 200X|Dicyanodiamide|Dyhard 100M|Dyhard 100S|Dyhard 100SF|Dyhard 100SH|Dyhard RU 100|Dyhard SF|EINECS 207-312-8|Epicure DICY|Epicure DICY 15|Epicure DICY 50|Epicure DICY 7|Epicure DICY 7A|Epicure DICY 7MD|Epicure DICY 7S|Epikure DICY 15|Epikure DICY 7|Erisys DDA 10|Guanadine, cyano-|GUANIDINE, 1-CYANO-|Guanidine, cyano-|Guanidine, N-cyano-|Hardener 3636AS|N-Cyanoguanidine|NSC 2031|Omicure DDA 5|Pyroset DO|UNII-M9B1R0C16H|125148-58-5|139351-77-2|139351-78-3|157480-33-6|166432-96-8|187414-06-8|205265-14-1|313058-80-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020354
ARPathway2016 ARPathway2016_1220 Cyanoguanidine 461-58-5 DTXSID1020354 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC(=N)NC#N Cyanoguanidine 461-58-5|Cyanoguanidine|1-CYANOGUANDINE|1-Cyanoguanidine|2-Cyanoguanidine|ACR-H 3636AS|Adeka EH 3636|Adeka EH 3636AS|Adeka ES 3636|Adeka Hardener EH 3636|Adeka Hardener ESES 3636AS|Adeka HT 2844|Ajicure AH 150|Amicure 3809|Amicure AH 150|Amicure AH 154|Amicure AH 162|Amicure CG 1200|Amicure CG 140|Amicure CG 1400|Amicure CG 200|Amicure CG 325|Araldite HT 986|Araldite XB 2879B|Araldite XB 2979B|Bakelite EPH 714|Bakelite VE 2560|cianoguanidina|Cyanguanidin|cyanoguanidine C2H4N4|DICY-FP|DICYAN DIAMIDE|DICYANDIAMID|Dicyandiamide|Dicyandiamin|Dicyanex 1400B|Dicyanex 200|Dicyanex 200X|Dicyanodiamide|Dyhard 100M|Dyhard 100S|Dyhard 100SF|Dyhard 100SH|Dyhard RU 100|Dyhard SF|EINECS 207-312-8|Epicure DICY|Epicure DICY 15|Epicure DICY 50|Epicure DICY 7|Epicure DICY 7A|Epicure DICY 7MD|Epicure DICY 7S|Epikure DICY 15|Epikure DICY 7|Erisys DDA 10|Guanadine, cyano-|GUANIDINE, 1-CYANO-|Guanidine, cyano-|Guanidine, N-cyano-|Hardener 3636AS|N-Cyanoguanidine|NSC 2031|Omicure DDA 5|Pyroset DO|UNII-M9B1R0C16H|125148-58-5|139351-77-2|139351-78-3|157480-33-6|166432-96-8|187414-06-8|205265-14-1|313058-80-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020354
ARPathway2016 ARPathway2016_1220 Cyanoguanidine 461-58-5 DTXSID1020354 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC(=N)NC#N Cyanoguanidine 461-58-5|Cyanoguanidine|1-CYANOGUANDINE|1-Cyanoguanidine|2-Cyanoguanidine|ACR-H 3636AS|Adeka EH 3636|Adeka EH 3636AS|Adeka ES 3636|Adeka Hardener EH 3636|Adeka Hardener ESES 3636AS|Adeka HT 2844|Ajicure AH 150|Amicure 3809|Amicure AH 150|Amicure AH 154|Amicure AH 162|Amicure CG 1200|Amicure CG 140|Amicure CG 1400|Amicure CG 200|Amicure CG 325|Araldite HT 986|Araldite XB 2879B|Araldite XB 2979B|Bakelite EPH 714|Bakelite VE 2560|cianoguanidina|Cyanguanidin|cyanoguanidine C2H4N4|DICY-FP|DICYAN DIAMIDE|DICYANDIAMID|Dicyandiamide|Dicyandiamin|Dicyanex 1400B|Dicyanex 200|Dicyanex 200X|Dicyanodiamide|Dyhard 100M|Dyhard 100S|Dyhard 100SF|Dyhard 100SH|Dyhard RU 100|Dyhard SF|EINECS 207-312-8|Epicure DICY|Epicure DICY 15|Epicure DICY 50|Epicure DICY 7|Epicure DICY 7A|Epicure DICY 7MD|Epicure DICY 7S|Epikure DICY 15|Epikure DICY 7|Erisys DDA 10|Guanadine, cyano-|GUANIDINE, 1-CYANO-|Guanidine, cyano-|Guanidine, N-cyano-|Hardener 3636AS|N-Cyanoguanidine|NSC 2031|Omicure DDA 5|Pyroset DO|UNII-M9B1R0C16H|125148-58-5|139351-77-2|139351-78-3|157480-33-6|166432-96-8|187414-06-8|205265-14-1|313058-80-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020354
ERPathway2016 ERPathway2016_1488 Cyanoguanidine 461-58-5 DTXSID1020354 ER Pathway Model, Agonist Model Score 0 Unitless NC(=N)NC#N Cyanoguanidine 461-58-5|Cyanoguanidine|1-CYANOGUANDINE|1-Cyanoguanidine|2-Cyanoguanidine|ACR-H 3636AS|Adeka EH 3636|Adeka EH 3636AS|Adeka ES 3636|Adeka Hardener EH 3636|Adeka Hardener ESES 3636AS|Adeka HT 2844|Ajicure AH 150|Amicure 3809|Amicure AH 150|Amicure AH 154|Amicure AH 162|Amicure CG 1200|Amicure CG 140|Amicure CG 1400|Amicure CG 200|Amicure CG 325|Araldite HT 986|Araldite XB 2879B|Araldite XB 2979B|Bakelite EPH 714|Bakelite VE 2560|cianoguanidina|Cyanguanidin|cyanoguanidine C2H4N4|DICY-FP|DICYAN DIAMIDE|DICYANDIAMID|Dicyandiamide|Dicyandiamin|Dicyanex 1400B|Dicyanex 200|Dicyanex 200X|Dicyanodiamide|Dyhard 100M|Dyhard 100S|Dyhard 100SF|Dyhard 100SH|Dyhard RU 100|Dyhard SF|EINECS 207-312-8|Epicure DICY|Epicure DICY 15|Epicure DICY 50|Epicure DICY 7|Epicure DICY 7A|Epicure DICY 7MD|Epicure DICY 7S|Epikure DICY 15|Epikure DICY 7|Erisys DDA 10|Guanadine, cyano-|GUANIDINE, 1-CYANO-|Guanidine, cyano-|Guanidine, N-cyano-|Hardener 3636AS|N-Cyanoguanidine|NSC 2031|Omicure DDA 5|Pyroset DO|UNII-M9B1R0C16H|125148-58-5|139351-77-2|139351-78-3|157480-33-6|166432-96-8|187414-06-8|205265-14-1|313058-80-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020354
ERPathway2016 ERPathway2016_1488 Cyanoguanidine 461-58-5 DTXSID1020354 ER Pathway Model, Antagonist Model Score 0 Unitless NC(=N)NC#N Cyanoguanidine 461-58-5|Cyanoguanidine|1-CYANOGUANDINE|1-Cyanoguanidine|2-Cyanoguanidine|ACR-H 3636AS|Adeka EH 3636|Adeka EH 3636AS|Adeka ES 3636|Adeka Hardener EH 3636|Adeka Hardener ESES 3636AS|Adeka HT 2844|Ajicure AH 150|Amicure 3809|Amicure AH 150|Amicure AH 154|Amicure AH 162|Amicure CG 1200|Amicure CG 140|Amicure CG 1400|Amicure CG 200|Amicure CG 325|Araldite HT 986|Araldite XB 2879B|Araldite XB 2979B|Bakelite EPH 714|Bakelite VE 2560|cianoguanidina|Cyanguanidin|cyanoguanidine C2H4N4|DICY-FP|DICYAN DIAMIDE|DICYANDIAMID|Dicyandiamide|Dicyandiamin|Dicyanex 1400B|Dicyanex 200|Dicyanex 200X|Dicyanodiamide|Dyhard 100M|Dyhard 100S|Dyhard 100SF|Dyhard 100SH|Dyhard RU 100|Dyhard SF|EINECS 207-312-8|Epicure DICY|Epicure DICY 15|Epicure DICY 50|Epicure DICY 7|Epicure DICY 7A|Epicure DICY 7MD|Epicure DICY 7S|Epikure DICY 15|Epikure DICY 7|Erisys DDA 10|Guanadine, cyano-|GUANIDINE, 1-CYANO-|Guanidine, cyano-|Guanidine, N-cyano-|Hardener 3636AS|N-Cyanoguanidine|NSC 2031|Omicure DDA 5|Pyroset DO|UNII-M9B1R0C16H|125148-58-5|139351-77-2|139351-78-3|157480-33-6|166432-96-8|187414-06-8|205265-14-1|313058-80-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020354
ERPathway2016 ERPathway2016_1488 Cyanoguanidine 461-58-5 DTXSID1020354 ER Pathway Model, Agonist Call Inactive Unitless NC(=N)NC#N Cyanoguanidine 461-58-5|Cyanoguanidine|1-CYANOGUANDINE|1-Cyanoguanidine|2-Cyanoguanidine|ACR-H 3636AS|Adeka EH 3636|Adeka EH 3636AS|Adeka ES 3636|Adeka Hardener EH 3636|Adeka Hardener ESES 3636AS|Adeka HT 2844|Ajicure AH 150|Amicure 3809|Amicure AH 150|Amicure AH 154|Amicure AH 162|Amicure CG 1200|Amicure CG 140|Amicure CG 1400|Amicure CG 200|Amicure CG 325|Araldite HT 986|Araldite XB 2879B|Araldite XB 2979B|Bakelite EPH 714|Bakelite VE 2560|cianoguanidina|Cyanguanidin|cyanoguanidine C2H4N4|DICY-FP|DICYAN DIAMIDE|DICYANDIAMID|Dicyandiamide|Dicyandiamin|Dicyanex 1400B|Dicyanex 200|Dicyanex 200X|Dicyanodiamide|Dyhard 100M|Dyhard 100S|Dyhard 100SF|Dyhard 100SH|Dyhard RU 100|Dyhard SF|EINECS 207-312-8|Epicure DICY|Epicure DICY 15|Epicure DICY 50|Epicure DICY 7|Epicure DICY 7A|Epicure DICY 7MD|Epicure DICY 7S|Epikure DICY 15|Epikure DICY 7|Erisys DDA 10|Guanadine, cyano-|GUANIDINE, 1-CYANO-|Guanidine, cyano-|Guanidine, N-cyano-|Hardener 3636AS|N-Cyanoguanidine|NSC 2031|Omicure DDA 5|Pyroset DO|UNII-M9B1R0C16H|125148-58-5|139351-77-2|139351-78-3|157480-33-6|166432-96-8|187414-06-8|205265-14-1|313058-80-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020354
ERPathway2016 ERPathway2016_1488 Cyanoguanidine 461-58-5 DTXSID1020354 ER Pathway Model, Antagonist Call Inactive Unitless NC(=N)NC#N Cyanoguanidine 461-58-5|Cyanoguanidine|1-CYANOGUANDINE|1-Cyanoguanidine|2-Cyanoguanidine|ACR-H 3636AS|Adeka EH 3636|Adeka EH 3636AS|Adeka ES 3636|Adeka Hardener EH 3636|Adeka Hardener ESES 3636AS|Adeka HT 2844|Ajicure AH 150|Amicure 3809|Amicure AH 150|Amicure AH 154|Amicure AH 162|Amicure CG 1200|Amicure CG 140|Amicure CG 1400|Amicure CG 200|Amicure CG 325|Araldite HT 986|Araldite XB 2879B|Araldite XB 2979B|Bakelite EPH 714|Bakelite VE 2560|cianoguanidina|Cyanguanidin|cyanoguanidine C2H4N4|DICY-FP|DICYAN DIAMIDE|DICYANDIAMID|Dicyandiamide|Dicyandiamin|Dicyanex 1400B|Dicyanex 200|Dicyanex 200X|Dicyanodiamide|Dyhard 100M|Dyhard 100S|Dyhard 100SF|Dyhard 100SH|Dyhard RU 100|Dyhard SF|EINECS 207-312-8|Epicure DICY|Epicure DICY 15|Epicure DICY 50|Epicure DICY 7|Epicure DICY 7A|Epicure DICY 7MD|Epicure DICY 7S|Epikure DICY 15|Epikure DICY 7|Erisys DDA 10|Guanadine, cyano-|GUANIDINE, 1-CYANO-|Guanidine, cyano-|Guanidine, N-cyano-|Hardener 3636AS|N-Cyanoguanidine|NSC 2031|Omicure DDA 5|Pyroset DO|UNII-M9B1R0C16H|125148-58-5|139351-77-2|139351-78-3|157480-33-6|166432-96-8|187414-06-8|205265-14-1|313058-80-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020354
ARPathway2016 ARPathway2016_518 Cyanuric acid 108-80-5 DTXSID7024873 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=NC(O)=NC(O)=N1 Cyanuric acid 108-80-5|Cyanuric acid|1,3,5-Triazine-2,4,6-trione|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione|2,4,6-Trihydroxy-1,3,5-triazine|2,4,6-Trihydroxy-s-triazine|2,4,6-Trioxohexahydro-1,3,5-triazine|5-Azabarbituric acid|Acide cyanurique|acido cianurico|Caswell No. 862|cyanurate|CYANURSAEURE|Cyanursaure|EINECS 203-618-0|EPA Pesticide Chemical Code 081402|Isocyanurate acid|Isocyanuric acid|Isocyanursaeure|Isozyanursaeure|Kyselina kyanurova|NSC 6284|Pseudocyanuric acid|s-2,4,6-Triazinetriol|s-Cyanuric acid|s-Triazine-2,4,6-triol|s-triazine-2,4,6-trione|s-Triazine-2,4,6(1H,3H,5H)-trione|s-Triazinetriol|sym-Triazinetriol|TRIAZINE (1,3,5), 2,4,6-TRIOL|TRIAZINE[1,3,5]-2,4,6(1H,3H,5H)-TRIONE|Tricyanic acid|Trihydroxycyanidine|Trihydroxytriazine|UNII-H497R4QKTZ|134016-52-7|273203-07-9|504-19-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024873 https://doi.org/10.22427/NTP-DATA-DTXSID7024873
ARPathway2016 ARPathway2016_518 Cyanuric acid 108-80-5 DTXSID7024873 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless OC1=NC(O)=NC(O)=N1 Cyanuric acid 108-80-5|Cyanuric acid|1,3,5-Triazine-2,4,6-trione|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione|2,4,6-Trihydroxy-1,3,5-triazine|2,4,6-Trihydroxy-s-triazine|2,4,6-Trioxohexahydro-1,3,5-triazine|5-Azabarbituric acid|Acide cyanurique|acido cianurico|Caswell No. 862|cyanurate|CYANURSAEURE|Cyanursaure|EINECS 203-618-0|EPA Pesticide Chemical Code 081402|Isocyanurate acid|Isocyanuric acid|Isocyanursaeure|Isozyanursaeure|Kyselina kyanurova|NSC 6284|Pseudocyanuric acid|s-2,4,6-Triazinetriol|s-Cyanuric acid|s-Triazine-2,4,6-triol|s-triazine-2,4,6-trione|s-Triazine-2,4,6(1H,3H,5H)-trione|s-Triazinetriol|sym-Triazinetriol|TRIAZINE (1,3,5), 2,4,6-TRIOL|TRIAZINE[1,3,5]-2,4,6(1H,3H,5H)-TRIONE|Tricyanic acid|Trihydroxycyanidine|Trihydroxytriazine|UNII-H497R4QKTZ|134016-52-7|273203-07-9|504-19-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024873 https://doi.org/10.22427/NTP-DATA-DTXSID7024873
ARPathway2016 ARPathway2016_518 Cyanuric acid 108-80-5 DTXSID7024873 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless OC1=NC(O)=NC(O)=N1 Cyanuric acid 108-80-5|Cyanuric acid|1,3,5-Triazine-2,4,6-trione|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione|2,4,6-Trihydroxy-1,3,5-triazine|2,4,6-Trihydroxy-s-triazine|2,4,6-Trioxohexahydro-1,3,5-triazine|5-Azabarbituric acid|Acide cyanurique|acido cianurico|Caswell No. 862|cyanurate|CYANURSAEURE|Cyanursaure|EINECS 203-618-0|EPA Pesticide Chemical Code 081402|Isocyanurate acid|Isocyanuric acid|Isocyanursaeure|Isozyanursaeure|Kyselina kyanurova|NSC 6284|Pseudocyanuric acid|s-2,4,6-Triazinetriol|s-Cyanuric acid|s-Triazine-2,4,6-triol|s-triazine-2,4,6-trione|s-Triazine-2,4,6(1H,3H,5H)-trione|s-Triazinetriol|sym-Triazinetriol|TRIAZINE (1,3,5), 2,4,6-TRIOL|TRIAZINE[1,3,5]-2,4,6(1H,3H,5H)-TRIONE|Tricyanic acid|Trihydroxycyanidine|Trihydroxytriazine|UNII-H497R4QKTZ|134016-52-7|273203-07-9|504-19-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024873 https://doi.org/10.22427/NTP-DATA-DTXSID7024873
ARPathway2016 ARPathway2016_518 Cyanuric acid 108-80-5 DTXSID7024873 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless OC1=NC(O)=NC(O)=N1 Cyanuric acid 108-80-5|Cyanuric acid|1,3,5-Triazine-2,4,6-trione|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione|2,4,6-Trihydroxy-1,3,5-triazine|2,4,6-Trihydroxy-s-triazine|2,4,6-Trioxohexahydro-1,3,5-triazine|5-Azabarbituric acid|Acide cyanurique|acido cianurico|Caswell No. 862|cyanurate|CYANURSAEURE|Cyanursaure|EINECS 203-618-0|EPA Pesticide Chemical Code 081402|Isocyanurate acid|Isocyanuric acid|Isocyanursaeure|Isozyanursaeure|Kyselina kyanurova|NSC 6284|Pseudocyanuric acid|s-2,4,6-Triazinetriol|s-Cyanuric acid|s-Triazine-2,4,6-triol|s-triazine-2,4,6-trione|s-Triazine-2,4,6(1H,3H,5H)-trione|s-Triazinetriol|sym-Triazinetriol|TRIAZINE (1,3,5), 2,4,6-TRIOL|TRIAZINE[1,3,5]-2,4,6(1H,3H,5H)-TRIONE|Tricyanic acid|Trihydroxycyanidine|Trihydroxytriazine|UNII-H497R4QKTZ|134016-52-7|273203-07-9|504-19-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024873 https://doi.org/10.22427/NTP-DATA-DTXSID7024873
ERPathway2016 ERPathway2016_1117 Cyanuric acid 108-80-5 DTXSID7024873 ER Pathway Model, Agonist Model Score 0 Unitless OC1=NC(O)=NC(O)=N1 Cyanuric acid 108-80-5|Cyanuric acid|1,3,5-Triazine-2,4,6-trione|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione|2,4,6-Trihydroxy-1,3,5-triazine|2,4,6-Trihydroxy-s-triazine|2,4,6-Trioxohexahydro-1,3,5-triazine|5-Azabarbituric acid|Acide cyanurique|acido cianurico|Caswell No. 862|cyanurate|CYANURSAEURE|Cyanursaure|EINECS 203-618-0|EPA Pesticide Chemical Code 081402|Isocyanurate acid|Isocyanuric acid|Isocyanursaeure|Isozyanursaeure|Kyselina kyanurova|NSC 6284|Pseudocyanuric acid|s-2,4,6-Triazinetriol|s-Cyanuric acid|s-Triazine-2,4,6-triol|s-triazine-2,4,6-trione|s-Triazine-2,4,6(1H,3H,5H)-trione|s-Triazinetriol|sym-Triazinetriol|TRIAZINE (1,3,5), 2,4,6-TRIOL|TRIAZINE[1,3,5]-2,4,6(1H,3H,5H)-TRIONE|Tricyanic acid|Trihydroxycyanidine|Trihydroxytriazine|UNII-H497R4QKTZ|134016-52-7|273203-07-9|504-19-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024873 https://doi.org/10.22427/NTP-DATA-DTXSID7024873
ERPathway2016 ERPathway2016_1117 Cyanuric acid 108-80-5 DTXSID7024873 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=NC(O)=NC(O)=N1 Cyanuric acid 108-80-5|Cyanuric acid|1,3,5-Triazine-2,4,6-trione|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione|2,4,6-Trihydroxy-1,3,5-triazine|2,4,6-Trihydroxy-s-triazine|2,4,6-Trioxohexahydro-1,3,5-triazine|5-Azabarbituric acid|Acide cyanurique|acido cianurico|Caswell No. 862|cyanurate|CYANURSAEURE|Cyanursaure|EINECS 203-618-0|EPA Pesticide Chemical Code 081402|Isocyanurate acid|Isocyanuric acid|Isocyanursaeure|Isozyanursaeure|Kyselina kyanurova|NSC 6284|Pseudocyanuric acid|s-2,4,6-Triazinetriol|s-Cyanuric acid|s-Triazine-2,4,6-triol|s-triazine-2,4,6-trione|s-Triazine-2,4,6(1H,3H,5H)-trione|s-Triazinetriol|sym-Triazinetriol|TRIAZINE (1,3,5), 2,4,6-TRIOL|TRIAZINE[1,3,5]-2,4,6(1H,3H,5H)-TRIONE|Tricyanic acid|Trihydroxycyanidine|Trihydroxytriazine|UNII-H497R4QKTZ|134016-52-7|273203-07-9|504-19-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024873 https://doi.org/10.22427/NTP-DATA-DTXSID7024873
ERPathway2016 ERPathway2016_1117 Cyanuric acid 108-80-5 DTXSID7024873 ER Pathway Model, Agonist Call Inactive Unitless OC1=NC(O)=NC(O)=N1 Cyanuric acid 108-80-5|Cyanuric acid|1,3,5-Triazine-2,4,6-trione|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione|2,4,6-Trihydroxy-1,3,5-triazine|2,4,6-Trihydroxy-s-triazine|2,4,6-Trioxohexahydro-1,3,5-triazine|5-Azabarbituric acid|Acide cyanurique|acido cianurico|Caswell No. 862|cyanurate|CYANURSAEURE|Cyanursaure|EINECS 203-618-0|EPA Pesticide Chemical Code 081402|Isocyanurate acid|Isocyanuric acid|Isocyanursaeure|Isozyanursaeure|Kyselina kyanurova|NSC 6284|Pseudocyanuric acid|s-2,4,6-Triazinetriol|s-Cyanuric acid|s-Triazine-2,4,6-triol|s-triazine-2,4,6-trione|s-Triazine-2,4,6(1H,3H,5H)-trione|s-Triazinetriol|sym-Triazinetriol|TRIAZINE (1,3,5), 2,4,6-TRIOL|TRIAZINE[1,3,5]-2,4,6(1H,3H,5H)-TRIONE|Tricyanic acid|Trihydroxycyanidine|Trihydroxytriazine|UNII-H497R4QKTZ|134016-52-7|273203-07-9|504-19-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024873 https://doi.org/10.22427/NTP-DATA-DTXSID7024873
ERPathway2016 ERPathway2016_1117 Cyanuric acid 108-80-5 DTXSID7024873 ER Pathway Model, Antagonist Call Inactive Unitless OC1=NC(O)=NC(O)=N1 Cyanuric acid 108-80-5|Cyanuric acid|1,3,5-Triazine-2,4,6-trione|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione|2,4,6-Trihydroxy-1,3,5-triazine|2,4,6-Trihydroxy-s-triazine|2,4,6-Trioxohexahydro-1,3,5-triazine|5-Azabarbituric acid|Acide cyanurique|acido cianurico|Caswell No. 862|cyanurate|CYANURSAEURE|Cyanursaure|EINECS 203-618-0|EPA Pesticide Chemical Code 081402|Isocyanurate acid|Isocyanuric acid|Isocyanursaeure|Isozyanursaeure|Kyselina kyanurova|NSC 6284|Pseudocyanuric acid|s-2,4,6-Triazinetriol|s-Cyanuric acid|s-Triazine-2,4,6-triol|s-triazine-2,4,6-trione|s-Triazine-2,4,6(1H,3H,5H)-trione|s-Triazinetriol|sym-Triazinetriol|TRIAZINE (1,3,5), 2,4,6-TRIOL|TRIAZINE[1,3,5]-2,4,6(1H,3H,5H)-TRIONE|Tricyanic acid|Trihydroxycyanidine|Trihydroxytriazine|UNII-H497R4QKTZ|134016-52-7|273203-07-9|504-19-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024873 https://doi.org/10.22427/NTP-DATA-DTXSID7024873
ARPathway2016 ARPathway2016_1098 Cybutryne 28159-98-0 DTXSID3032416 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CSC1=NC(NC(C)(C)C)=NC(NC2CC2)=N1 Cybutryne 28159-98-0|Cybutryne|1,3,5-Triazine-2,4-diamine, N-cyclopropyl-N'-(1,1-dimethylethyl)-6-(methylthio)-|EINECS 248-872-3|Irgarol|irgarol 1051|UNII-E7B77O21GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032416
ARPathway2016 ARPathway2016_1098 Cybutryne 28159-98-0 DTXSID3032416 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CSC1=NC(NC(C)(C)C)=NC(NC2CC2)=N1 Cybutryne 28159-98-0|Cybutryne|1,3,5-Triazine-2,4-diamine, N-cyclopropyl-N'-(1,1-dimethylethyl)-6-(methylthio)-|EINECS 248-872-3|Irgarol|irgarol 1051|UNII-E7B77O21GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032416
ARPathway2016 ARPathway2016_1098 Cybutryne 28159-98-0 DTXSID3032416 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CSC1=NC(NC(C)(C)C)=NC(NC2CC2)=N1 Cybutryne 28159-98-0|Cybutryne|1,3,5-Triazine-2,4-diamine, N-cyclopropyl-N'-(1,1-dimethylethyl)-6-(methylthio)-|EINECS 248-872-3|Irgarol|irgarol 1051|UNII-E7B77O21GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032416
ARPathway2016 ARPathway2016_1098 Cybutryne 28159-98-0 DTXSID3032416 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CSC1=NC(NC(C)(C)C)=NC(NC2CC2)=N1 Cybutryne 28159-98-0|Cybutryne|1,3,5-Triazine-2,4-diamine, N-cyclopropyl-N'-(1,1-dimethylethyl)-6-(methylthio)-|EINECS 248-872-3|Irgarol|irgarol 1051|UNII-E7B77O21GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032416
ERPathway2016 ERPathway2016_1427 Cybutryne 28159-98-0 DTXSID3032416 ER Pathway Model, Agonist Model Score 0 Unitless CSC1=NC(NC(C)(C)C)=NC(NC2CC2)=N1 Cybutryne 28159-98-0|Cybutryne|1,3,5-Triazine-2,4-diamine, N-cyclopropyl-N'-(1,1-dimethylethyl)-6-(methylthio)-|EINECS 248-872-3|Irgarol|irgarol 1051|UNII-E7B77O21GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032416
ERPathway2016 ERPathway2016_1427 Cybutryne 28159-98-0 DTXSID3032416 ER Pathway Model, Antagonist Model Score 0 Unitless CSC1=NC(NC(C)(C)C)=NC(NC2CC2)=N1 Cybutryne 28159-98-0|Cybutryne|1,3,5-Triazine-2,4-diamine, N-cyclopropyl-N'-(1,1-dimethylethyl)-6-(methylthio)-|EINECS 248-872-3|Irgarol|irgarol 1051|UNII-E7B77O21GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032416
ERPathway2016 ERPathway2016_1427 Cybutryne 28159-98-0 DTXSID3032416 ER Pathway Model, Agonist Call Inactive Unitless CSC1=NC(NC(C)(C)C)=NC(NC2CC2)=N1 Cybutryne 28159-98-0|Cybutryne|1,3,5-Triazine-2,4-diamine, N-cyclopropyl-N'-(1,1-dimethylethyl)-6-(methylthio)-|EINECS 248-872-3|Irgarol|irgarol 1051|UNII-E7B77O21GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032416
ERPathway2016 ERPathway2016_1427 Cybutryne 28159-98-0 DTXSID3032416 ER Pathway Model, Antagonist Call Inactive Unitless CSC1=NC(NC(C)(C)C)=NC(NC2CC2)=N1 Cybutryne 28159-98-0|Cybutryne|1,3,5-Triazine-2,4-diamine, N-cyclopropyl-N'-(1,1-dimethylethyl)-6-(methylthio)-|EINECS 248-872-3|Irgarol|irgarol 1051|UNII-E7B77O21GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032416
ARPathway2016 ARPathway2016_619 Cyclanilide 113136-77-9 DTXSID5032600 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1(CC1)C(=O)NC1=CC=C(Cl)C=C1Cl Cyclanilide 113136-77-9|Cyclanilide|1-(((2,4-Dichlorophenyl)amino)carbonyl)cyclopropanecarboxylic acid|1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylic acid|1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylicacid|1-(2,4-dichlorophenylcarbamoyl)cyclopropancarboxylic acid|1-[(2,4-Dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid|1-[[(2,4-Dichlorophenyl)amino]carbonyl]cyclopropanecarboxylic acid|419-150-7|Cyclopropanecarboxamide, 1-carboxy-, N-(2,4-dichlorophenyl)-|Cyclopropanecarboxylic acid, 1-(((2,4-dichlorophenyl)amino)carbonyl)-|Cyclopropanecarboxylic acid, 1-[[(2,4-dichlorophenyl)amino]carbonyl]-|EC No.: 419-150-7|EEC No.: 419-150-7|ELINCS No.: 419-150-7|RPA 90946|RPA090946|UNII-E5WZ0SSS5V https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032600 https://doi.org/10.22427/NTP-DATA-DTXSID5032600
ARPathway2016 ARPathway2016_619 Cyclanilide 113136-77-9 DTXSID5032600 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1(CC1)C(=O)NC1=CC=C(Cl)C=C1Cl Cyclanilide 113136-77-9|Cyclanilide|1-(((2,4-Dichlorophenyl)amino)carbonyl)cyclopropanecarboxylic acid|1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylic acid|1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylicacid|1-(2,4-dichlorophenylcarbamoyl)cyclopropancarboxylic acid|1-[(2,4-Dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid|1-[[(2,4-Dichlorophenyl)amino]carbonyl]cyclopropanecarboxylic acid|419-150-7|Cyclopropanecarboxamide, 1-carboxy-, N-(2,4-dichlorophenyl)-|Cyclopropanecarboxylic acid, 1-(((2,4-dichlorophenyl)amino)carbonyl)-|Cyclopropanecarboxylic acid, 1-[[(2,4-dichlorophenyl)amino]carbonyl]-|EC No.: 419-150-7|EEC No.: 419-150-7|ELINCS No.: 419-150-7|RPA 90946|RPA090946|UNII-E5WZ0SSS5V https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032600 https://doi.org/10.22427/NTP-DATA-DTXSID5032600
ARPathway2016 ARPathway2016_619 Cyclanilide 113136-77-9 DTXSID5032600 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1(CC1)C(=O)NC1=CC=C(Cl)C=C1Cl Cyclanilide 113136-77-9|Cyclanilide|1-(((2,4-Dichlorophenyl)amino)carbonyl)cyclopropanecarboxylic acid|1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylic acid|1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylicacid|1-(2,4-dichlorophenylcarbamoyl)cyclopropancarboxylic acid|1-[(2,4-Dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid|1-[[(2,4-Dichlorophenyl)amino]carbonyl]cyclopropanecarboxylic acid|419-150-7|Cyclopropanecarboxamide, 1-carboxy-, N-(2,4-dichlorophenyl)-|Cyclopropanecarboxylic acid, 1-(((2,4-dichlorophenyl)amino)carbonyl)-|Cyclopropanecarboxylic acid, 1-[[(2,4-dichlorophenyl)amino]carbonyl]-|EC No.: 419-150-7|EEC No.: 419-150-7|ELINCS No.: 419-150-7|RPA 90946|RPA090946|UNII-E5WZ0SSS5V https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032600 https://doi.org/10.22427/NTP-DATA-DTXSID5032600
ARPathway2016 ARPathway2016_619 Cyclanilide 113136-77-9 DTXSID5032600 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1(CC1)C(=O)NC1=CC=C(Cl)C=C1Cl Cyclanilide 113136-77-9|Cyclanilide|1-(((2,4-Dichlorophenyl)amino)carbonyl)cyclopropanecarboxylic acid|1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylic acid|1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylicacid|1-(2,4-dichlorophenylcarbamoyl)cyclopropancarboxylic acid|1-[(2,4-Dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid|1-[[(2,4-Dichlorophenyl)amino]carbonyl]cyclopropanecarboxylic acid|419-150-7|Cyclopropanecarboxamide, 1-carboxy-, N-(2,4-dichlorophenyl)-|Cyclopropanecarboxylic acid, 1-(((2,4-dichlorophenyl)amino)carbonyl)-|Cyclopropanecarboxylic acid, 1-[[(2,4-dichlorophenyl)amino]carbonyl]-|EC No.: 419-150-7|EEC No.: 419-150-7|ELINCS No.: 419-150-7|RPA 90946|RPA090946|UNII-E5WZ0SSS5V https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032600 https://doi.org/10.22427/NTP-DATA-DTXSID5032600
ERPathway2016 ERPathway2016_617 Cyclanilide 113136-77-9 DTXSID5032600 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1(CC1)C(=O)NC1=CC=C(Cl)C=C1Cl Cyclanilide 113136-77-9|Cyclanilide|1-(((2,4-Dichlorophenyl)amino)carbonyl)cyclopropanecarboxylic acid|1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylic acid|1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylicacid|1-(2,4-dichlorophenylcarbamoyl)cyclopropancarboxylic acid|1-[(2,4-Dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid|1-[[(2,4-Dichlorophenyl)amino]carbonyl]cyclopropanecarboxylic acid|419-150-7|Cyclopropanecarboxamide, 1-carboxy-, N-(2,4-dichlorophenyl)-|Cyclopropanecarboxylic acid, 1-(((2,4-dichlorophenyl)amino)carbonyl)-|Cyclopropanecarboxylic acid, 1-[[(2,4-dichlorophenyl)amino]carbonyl]-|EC No.: 419-150-7|EEC No.: 419-150-7|ELINCS No.: 419-150-7|RPA 90946|RPA090946|UNII-E5WZ0SSS5V https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032600 https://doi.org/10.22427/NTP-DATA-DTXSID5032600
ERPathway2016 ERPathway2016_617 Cyclanilide 113136-77-9 DTXSID5032600 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1(CC1)C(=O)NC1=CC=C(Cl)C=C1Cl Cyclanilide 113136-77-9|Cyclanilide|1-(((2,4-Dichlorophenyl)amino)carbonyl)cyclopropanecarboxylic acid|1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylic acid|1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylicacid|1-(2,4-dichlorophenylcarbamoyl)cyclopropancarboxylic acid|1-[(2,4-Dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid|1-[[(2,4-Dichlorophenyl)amino]carbonyl]cyclopropanecarboxylic acid|419-150-7|Cyclopropanecarboxamide, 1-carboxy-, N-(2,4-dichlorophenyl)-|Cyclopropanecarboxylic acid, 1-(((2,4-dichlorophenyl)amino)carbonyl)-|Cyclopropanecarboxylic acid, 1-[[(2,4-dichlorophenyl)amino]carbonyl]-|EC No.: 419-150-7|EEC No.: 419-150-7|ELINCS No.: 419-150-7|RPA 90946|RPA090946|UNII-E5WZ0SSS5V https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032600 https://doi.org/10.22427/NTP-DATA-DTXSID5032600
ERPathway2016 ERPathway2016_617 Cyclanilide 113136-77-9 DTXSID5032600 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1(CC1)C(=O)NC1=CC=C(Cl)C=C1Cl Cyclanilide 113136-77-9|Cyclanilide|1-(((2,4-Dichlorophenyl)amino)carbonyl)cyclopropanecarboxylic acid|1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylic acid|1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylicacid|1-(2,4-dichlorophenylcarbamoyl)cyclopropancarboxylic acid|1-[(2,4-Dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid|1-[[(2,4-Dichlorophenyl)amino]carbonyl]cyclopropanecarboxylic acid|419-150-7|Cyclopropanecarboxamide, 1-carboxy-, N-(2,4-dichlorophenyl)-|Cyclopropanecarboxylic acid, 1-(((2,4-dichlorophenyl)amino)carbonyl)-|Cyclopropanecarboxylic acid, 1-[[(2,4-dichlorophenyl)amino]carbonyl]-|EC No.: 419-150-7|EEC No.: 419-150-7|ELINCS No.: 419-150-7|RPA 90946|RPA090946|UNII-E5WZ0SSS5V https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032600 https://doi.org/10.22427/NTP-DATA-DTXSID5032600
ERPathway2016 ERPathway2016_617 Cyclanilide 113136-77-9 DTXSID5032600 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1(CC1)C(=O)NC1=CC=C(Cl)C=C1Cl Cyclanilide 113136-77-9|Cyclanilide|1-(((2,4-Dichlorophenyl)amino)carbonyl)cyclopropanecarboxylic acid|1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylic acid|1-((2,4-Dichlorophenyl)carbamoyl)cyclopropanecarboxylicacid|1-(2,4-dichlorophenylcarbamoyl)cyclopropancarboxylic acid|1-[(2,4-Dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid|1-[[(2,4-Dichlorophenyl)amino]carbonyl]cyclopropanecarboxylic acid|419-150-7|Cyclopropanecarboxamide, 1-carboxy-, N-(2,4-dichlorophenyl)-|Cyclopropanecarboxylic acid, 1-(((2,4-dichlorophenyl)amino)carbonyl)-|Cyclopropanecarboxylic acid, 1-[[(2,4-dichlorophenyl)amino]carbonyl]-|EC No.: 419-150-7|EEC No.: 419-150-7|ELINCS No.: 419-150-7|RPA 90946|RPA090946|UNII-E5WZ0SSS5V https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032600 https://doi.org/10.22427/NTP-DATA-DTXSID5032600
ARPathway2016 ARPathway2016_620 Cycloate 1134-23-2 DTXSID6032356 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCSC(=O)N(CC)C1CCCCC1 Cycloate 1134-23-2|Cycloate|BRN 2937178|Carbamic acid, cyclohexylethylthio-, S-ethyl ester|Carbamothioic acid, cyclohexylethyl-, S-ethyl ester|Caswell No. 432A|Cyclohexanecarbamic acid, N-ethylthio-, S-ethyl ester|EINECS 214-482-7|EPA Pesticide Chemical Code 041301|Ethyl cyclohexylethylthiocarbamate|Ethyl N-cyclohexyl-N-ethylthiolcarbamate|Hexylthiocarbam|Ro-Neet|Ro-Neet 10G|Ro-Neet 6-E|Ro-Neet E|S-Ethyl cyclohexylethylcarbamothioate|S-Ethyl cyclohexylethylthiocarbamate|S-Ethyl N-cyclohexyl-N-ethyl(thiocarbamate)|S-Ethyl N-ethyl N-cyclohexylthiolcarbamate|S-Ethyl N-ethyl-N-cyclohexylthiolcarbamate|S-Ethyl N-ethylcyclohexanecarbamothioate|S-Ethyl N-ethylthiocyclohexanecarbamate|S-Ethylethylcyclohexylthiocarbamate|UNII-IMZ37NA07H|102827-02-1|71330-39-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032356
ARPathway2016 ARPathway2016_620 Cycloate 1134-23-2 DTXSID6032356 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCSC(=O)N(CC)C1CCCCC1 Cycloate 1134-23-2|Cycloate|BRN 2937178|Carbamic acid, cyclohexylethylthio-, S-ethyl ester|Carbamothioic acid, cyclohexylethyl-, S-ethyl ester|Caswell No. 432A|Cyclohexanecarbamic acid, N-ethylthio-, S-ethyl ester|EINECS 214-482-7|EPA Pesticide Chemical Code 041301|Ethyl cyclohexylethylthiocarbamate|Ethyl N-cyclohexyl-N-ethylthiolcarbamate|Hexylthiocarbam|Ro-Neet|Ro-Neet 10G|Ro-Neet 6-E|Ro-Neet E|S-Ethyl cyclohexylethylcarbamothioate|S-Ethyl cyclohexylethylthiocarbamate|S-Ethyl N-cyclohexyl-N-ethyl(thiocarbamate)|S-Ethyl N-ethyl N-cyclohexylthiolcarbamate|S-Ethyl N-ethyl-N-cyclohexylthiolcarbamate|S-Ethyl N-ethylcyclohexanecarbamothioate|S-Ethyl N-ethylthiocyclohexanecarbamate|S-Ethylethylcyclohexylthiocarbamate|UNII-IMZ37NA07H|102827-02-1|71330-39-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032356
ARPathway2016 ARPathway2016_620 Cycloate 1134-23-2 DTXSID6032356 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCSC(=O)N(CC)C1CCCCC1 Cycloate 1134-23-2|Cycloate|BRN 2937178|Carbamic acid, cyclohexylethylthio-, S-ethyl ester|Carbamothioic acid, cyclohexylethyl-, S-ethyl ester|Caswell No. 432A|Cyclohexanecarbamic acid, N-ethylthio-, S-ethyl ester|EINECS 214-482-7|EPA Pesticide Chemical Code 041301|Ethyl cyclohexylethylthiocarbamate|Ethyl N-cyclohexyl-N-ethylthiolcarbamate|Hexylthiocarbam|Ro-Neet|Ro-Neet 10G|Ro-Neet 6-E|Ro-Neet E|S-Ethyl cyclohexylethylcarbamothioate|S-Ethyl cyclohexylethylthiocarbamate|S-Ethyl N-cyclohexyl-N-ethyl(thiocarbamate)|S-Ethyl N-ethyl N-cyclohexylthiolcarbamate|S-Ethyl N-ethyl-N-cyclohexylthiolcarbamate|S-Ethyl N-ethylcyclohexanecarbamothioate|S-Ethyl N-ethylthiocyclohexanecarbamate|S-Ethylethylcyclohexylthiocarbamate|UNII-IMZ37NA07H|102827-02-1|71330-39-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032356
ARPathway2016 ARPathway2016_620 Cycloate 1134-23-2 DTXSID6032356 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCSC(=O)N(CC)C1CCCCC1 Cycloate 1134-23-2|Cycloate|BRN 2937178|Carbamic acid, cyclohexylethylthio-, S-ethyl ester|Carbamothioic acid, cyclohexylethyl-, S-ethyl ester|Caswell No. 432A|Cyclohexanecarbamic acid, N-ethylthio-, S-ethyl ester|EINECS 214-482-7|EPA Pesticide Chemical Code 041301|Ethyl cyclohexylethylthiocarbamate|Ethyl N-cyclohexyl-N-ethylthiolcarbamate|Hexylthiocarbam|Ro-Neet|Ro-Neet 10G|Ro-Neet 6-E|Ro-Neet E|S-Ethyl cyclohexylethylcarbamothioate|S-Ethyl cyclohexylethylthiocarbamate|S-Ethyl N-cyclohexyl-N-ethyl(thiocarbamate)|S-Ethyl N-ethyl N-cyclohexylthiolcarbamate|S-Ethyl N-ethyl-N-cyclohexylthiolcarbamate|S-Ethyl N-ethylcyclohexanecarbamothioate|S-Ethyl N-ethylthiocyclohexanecarbamate|S-Ethylethylcyclohexylthiocarbamate|UNII-IMZ37NA07H|102827-02-1|71330-39-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032356
ERPathway2016 ERPathway2016_772 Cycloate 1134-23-2 DTXSID6032356 ER Pathway Model, Agonist Model Score 0 Unitless CCSC(=O)N(CC)C1CCCCC1 Cycloate 1134-23-2|Cycloate|BRN 2937178|Carbamic acid, cyclohexylethylthio-, S-ethyl ester|Carbamothioic acid, cyclohexylethyl-, S-ethyl ester|Caswell No. 432A|Cyclohexanecarbamic acid, N-ethylthio-, S-ethyl ester|EINECS 214-482-7|EPA Pesticide Chemical Code 041301|Ethyl cyclohexylethylthiocarbamate|Ethyl N-cyclohexyl-N-ethylthiolcarbamate|Hexylthiocarbam|Ro-Neet|Ro-Neet 10G|Ro-Neet 6-E|Ro-Neet E|S-Ethyl cyclohexylethylcarbamothioate|S-Ethyl cyclohexylethylthiocarbamate|S-Ethyl N-cyclohexyl-N-ethyl(thiocarbamate)|S-Ethyl N-ethyl N-cyclohexylthiolcarbamate|S-Ethyl N-ethyl-N-cyclohexylthiolcarbamate|S-Ethyl N-ethylcyclohexanecarbamothioate|S-Ethyl N-ethylthiocyclohexanecarbamate|S-Ethylethylcyclohexylthiocarbamate|UNII-IMZ37NA07H|102827-02-1|71330-39-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032356
ERPathway2016 ERPathway2016_772 Cycloate 1134-23-2 DTXSID6032356 ER Pathway Model, Antagonist Model Score 0 Unitless CCSC(=O)N(CC)C1CCCCC1 Cycloate 1134-23-2|Cycloate|BRN 2937178|Carbamic acid, cyclohexylethylthio-, S-ethyl ester|Carbamothioic acid, cyclohexylethyl-, S-ethyl ester|Caswell No. 432A|Cyclohexanecarbamic acid, N-ethylthio-, S-ethyl ester|EINECS 214-482-7|EPA Pesticide Chemical Code 041301|Ethyl cyclohexylethylthiocarbamate|Ethyl N-cyclohexyl-N-ethylthiolcarbamate|Hexylthiocarbam|Ro-Neet|Ro-Neet 10G|Ro-Neet 6-E|Ro-Neet E|S-Ethyl cyclohexylethylcarbamothioate|S-Ethyl cyclohexylethylthiocarbamate|S-Ethyl N-cyclohexyl-N-ethyl(thiocarbamate)|S-Ethyl N-ethyl N-cyclohexylthiolcarbamate|S-Ethyl N-ethyl-N-cyclohexylthiolcarbamate|S-Ethyl N-ethylcyclohexanecarbamothioate|S-Ethyl N-ethylthiocyclohexanecarbamate|S-Ethylethylcyclohexylthiocarbamate|UNII-IMZ37NA07H|102827-02-1|71330-39-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032356
ERPathway2016 ERPathway2016_772 Cycloate 1134-23-2 DTXSID6032356 ER Pathway Model, Agonist Call Inactive Unitless CCSC(=O)N(CC)C1CCCCC1 Cycloate 1134-23-2|Cycloate|BRN 2937178|Carbamic acid, cyclohexylethylthio-, S-ethyl ester|Carbamothioic acid, cyclohexylethyl-, S-ethyl ester|Caswell No. 432A|Cyclohexanecarbamic acid, N-ethylthio-, S-ethyl ester|EINECS 214-482-7|EPA Pesticide Chemical Code 041301|Ethyl cyclohexylethylthiocarbamate|Ethyl N-cyclohexyl-N-ethylthiolcarbamate|Hexylthiocarbam|Ro-Neet|Ro-Neet 10G|Ro-Neet 6-E|Ro-Neet E|S-Ethyl cyclohexylethylcarbamothioate|S-Ethyl cyclohexylethylthiocarbamate|S-Ethyl N-cyclohexyl-N-ethyl(thiocarbamate)|S-Ethyl N-ethyl N-cyclohexylthiolcarbamate|S-Ethyl N-ethyl-N-cyclohexylthiolcarbamate|S-Ethyl N-ethylcyclohexanecarbamothioate|S-Ethyl N-ethylthiocyclohexanecarbamate|S-Ethylethylcyclohexylthiocarbamate|UNII-IMZ37NA07H|102827-02-1|71330-39-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032356
ERPathway2016 ERPathway2016_772 Cycloate 1134-23-2 DTXSID6032356 ER Pathway Model, Antagonist Call Inactive Unitless CCSC(=O)N(CC)C1CCCCC1 Cycloate 1134-23-2|Cycloate|BRN 2937178|Carbamic acid, cyclohexylethylthio-, S-ethyl ester|Carbamothioic acid, cyclohexylethyl-, S-ethyl ester|Caswell No. 432A|Cyclohexanecarbamic acid, N-ethylthio-, S-ethyl ester|EINECS 214-482-7|EPA Pesticide Chemical Code 041301|Ethyl cyclohexylethylthiocarbamate|Ethyl N-cyclohexyl-N-ethylthiolcarbamate|Hexylthiocarbam|Ro-Neet|Ro-Neet 10G|Ro-Neet 6-E|Ro-Neet E|S-Ethyl cyclohexylethylcarbamothioate|S-Ethyl cyclohexylethylthiocarbamate|S-Ethyl N-cyclohexyl-N-ethyl(thiocarbamate)|S-Ethyl N-ethyl N-cyclohexylthiolcarbamate|S-Ethyl N-ethyl-N-cyclohexylthiolcarbamate|S-Ethyl N-ethylcyclohexanecarbamothioate|S-Ethyl N-ethylthiocyclohexanecarbamate|S-Ethylethylcyclohexylthiocarbamate|UNII-IMZ37NA07H|102827-02-1|71330-39-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032356
ARPathway2016 ARPathway2016_1301 Cyclobutyl phenyl ketone 5407-98-7 DTXSID1048201 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C(C1CCC1)C1=CC=CC=C1 Cyclobutyl phenyl ketone 5407-98-7|Cyclobutyl phenyl ketone|EINECS 226-473-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048201
ARPathway2016 ARPathway2016_1301 Cyclobutyl phenyl ketone 5407-98-7 DTXSID1048201 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C(C1CCC1)C1=CC=CC=C1 Cyclobutyl phenyl ketone 5407-98-7|Cyclobutyl phenyl ketone|EINECS 226-473-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048201
ARPathway2016 ARPathway2016_1301 Cyclobutyl phenyl ketone 5407-98-7 DTXSID1048201 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C(C1CCC1)C1=CC=CC=C1 Cyclobutyl phenyl ketone 5407-98-7|Cyclobutyl phenyl ketone|EINECS 226-473-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048201
ARPathway2016 ARPathway2016_1301 Cyclobutyl phenyl ketone 5407-98-7 DTXSID1048201 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C(C1CCC1)C1=CC=CC=C1 Cyclobutyl phenyl ketone 5407-98-7|Cyclobutyl phenyl ketone|EINECS 226-473-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048201
ERPathway2016 ERPathway2016_1523 Cyclobutyl phenyl ketone 5407-98-7 DTXSID1048201 ER Pathway Model, Agonist Model Score 0 Unitless O=C(C1CCC1)C1=CC=CC=C1 Cyclobutyl phenyl ketone 5407-98-7|Cyclobutyl phenyl ketone|EINECS 226-473-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048201
ERPathway2016 ERPathway2016_1523 Cyclobutyl phenyl ketone 5407-98-7 DTXSID1048201 ER Pathway Model, Antagonist Model Score 0 Unitless O=C(C1CCC1)C1=CC=CC=C1 Cyclobutyl phenyl ketone 5407-98-7|Cyclobutyl phenyl ketone|EINECS 226-473-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048201
ERPathway2016 ERPathway2016_1523 Cyclobutyl phenyl ketone 5407-98-7 DTXSID1048201 ER Pathway Model, Agonist Call Inactive Unitless O=C(C1CCC1)C1=CC=CC=C1 Cyclobutyl phenyl ketone 5407-98-7|Cyclobutyl phenyl ketone|EINECS 226-473-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048201
ERPathway2016 ERPathway2016_1523 Cyclobutyl phenyl ketone 5407-98-7 DTXSID1048201 ER Pathway Model, Antagonist Call Inactive Unitless O=C(C1CCC1)C1=CC=CC=C1 Cyclobutyl phenyl ketone 5407-98-7|Cyclobutyl phenyl ketone|EINECS 226-473-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048201
ARPathway2016 ARPathway2016_934 Cyclododecanol 1724-39-6 DTXSID1027429 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1CCCCCCCCCCC1 Cyclododecanol 1724-39-6|Cyclododecanol|EINECS 217-031-2|NSC 524960|UNII-0Z645Y4JTS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027429
ARPathway2016 ARPathway2016_934 Cyclododecanol 1724-39-6 DTXSID1027429 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1CCCCCCCCCCC1 Cyclododecanol 1724-39-6|Cyclododecanol|EINECS 217-031-2|NSC 524960|UNII-0Z645Y4JTS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027429
ARPathway2016 ARPathway2016_934 Cyclododecanol 1724-39-6 DTXSID1027429 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1CCCCCCCCCCC1 Cyclododecanol 1724-39-6|Cyclododecanol|EINECS 217-031-2|NSC 524960|UNII-0Z645Y4JTS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027429
ARPathway2016 ARPathway2016_934 Cyclododecanol 1724-39-6 DTXSID1027429 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1CCCCCCCCCCC1 Cyclododecanol 1724-39-6|Cyclododecanol|EINECS 217-031-2|NSC 524960|UNII-0Z645Y4JTS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027429
ERPathway2016 ERPathway2016_331 Cyclododecanol 1724-39-6 DTXSID1027429 ER Pathway Model, Antagonist AC50 32.5033321172286 uM OC1CCCCCCCCCCC1 Cyclododecanol 1724-39-6|Cyclododecanol|EINECS 217-031-2|NSC 524960|UNII-0Z645Y4JTS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027429
ERPathway2016 ERPathway2016_331 Cyclododecanol 1724-39-6 DTXSID1027429 ER Pathway Model, Antagonist ACC 28.9336655088245 uM OC1CCCCCCCCCCC1 Cyclododecanol 1724-39-6|Cyclododecanol|EINECS 217-031-2|NSC 524960|UNII-0Z645Y4JTS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027429
ERPathway2016 ERPathway2016_331 Cyclododecanol 1724-39-6 DTXSID1027429 ER Pathway Model, Agonist Model Score 0.0221 Unitless OC1CCCCCCCCCCC1 Cyclododecanol 1724-39-6|Cyclododecanol|EINECS 217-031-2|NSC 524960|UNII-0Z645Y4JTS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027429
ERPathway2016 ERPathway2016_331 Cyclododecanol 1724-39-6 DTXSID1027429 ER Pathway Model, Antagonist Model Score 0 Unitless OC1CCCCCCCCCCC1 Cyclododecanol 1724-39-6|Cyclododecanol|EINECS 217-031-2|NSC 524960|UNII-0Z645Y4JTS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027429
ERPathway2016 ERPathway2016_331 Cyclododecanol 1724-39-6 DTXSID1027429 ER Pathway Model, Agonist Call Inactive Unitless OC1CCCCCCCCCCC1 Cyclododecanol 1724-39-6|Cyclododecanol|EINECS 217-031-2|NSC 524960|UNII-0Z645Y4JTS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027429
ERPathway2016 ERPathway2016_331 Cyclododecanol 1724-39-6 DTXSID1027429 ER Pathway Model, Antagonist Call Active Unitless OC1CCCCCCCCCCC1 Cyclododecanol 1724-39-6|Cyclododecanol|EINECS 217-031-2|NSC 524960|UNII-0Z645Y4JTS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027429
ARPathway2016 ARPathway2016_521 Cyclohexanol 108-93-0 DTXSID4021894 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1CCCCC1 Cyclohexanol 108-93-0|Cyclohexanol|1-Cyclohexanol|4-06-00-00020|Adronal|Adronol|BRN 0906744|Cicloesanolo|ciclohexanol|Cyclohexanone cyclohexanol mixture|Cyclohexyl alcohol|Cykloheksanol|EINECS 203-630-6|Hexahydrophenol|Hexalin|Hydralin|Hydrophenol|Hydroxycyclohexane|NSC 403656|NSC 54711|Phenol, hexahydro-|UNII-8E7S519M3P|2263936-22-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021894 https://doi.org/10.22427/NTP-DATA-DTXSID4021894
ARPathway2016 ARPathway2016_521 Cyclohexanol 108-93-0 DTXSID4021894 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1CCCCC1 Cyclohexanol 108-93-0|Cyclohexanol|1-Cyclohexanol|4-06-00-00020|Adronal|Adronol|BRN 0906744|Cicloesanolo|ciclohexanol|Cyclohexanone cyclohexanol mixture|Cyclohexyl alcohol|Cykloheksanol|EINECS 203-630-6|Hexahydrophenol|Hexalin|Hydralin|Hydrophenol|Hydroxycyclohexane|NSC 403656|NSC 54711|Phenol, hexahydro-|UNII-8E7S519M3P|2263936-22-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021894 https://doi.org/10.22427/NTP-DATA-DTXSID4021894
ARPathway2016 ARPathway2016_521 Cyclohexanol 108-93-0 DTXSID4021894 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1CCCCC1 Cyclohexanol 108-93-0|Cyclohexanol|1-Cyclohexanol|4-06-00-00020|Adronal|Adronol|BRN 0906744|Cicloesanolo|ciclohexanol|Cyclohexanone cyclohexanol mixture|Cyclohexyl alcohol|Cykloheksanol|EINECS 203-630-6|Hexahydrophenol|Hexalin|Hydralin|Hydrophenol|Hydroxycyclohexane|NSC 403656|NSC 54711|Phenol, hexahydro-|UNII-8E7S519M3P|2263936-22-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021894 https://doi.org/10.22427/NTP-DATA-DTXSID4021894
ARPathway2016 ARPathway2016_521 Cyclohexanol 108-93-0 DTXSID4021894 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1CCCCC1 Cyclohexanol 108-93-0|Cyclohexanol|1-Cyclohexanol|4-06-00-00020|Adronal|Adronol|BRN 0906744|Cicloesanolo|ciclohexanol|Cyclohexanone cyclohexanol mixture|Cyclohexyl alcohol|Cykloheksanol|EINECS 203-630-6|Hexahydrophenol|Hexalin|Hydralin|Hydrophenol|Hydroxycyclohexane|NSC 403656|NSC 54711|Phenol, hexahydro-|UNII-8E7S519M3P|2263936-22-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021894 https://doi.org/10.22427/NTP-DATA-DTXSID4021894
ERPathway2016 ERPathway2016_1119 Cyclohexanol 108-93-0 DTXSID4021894 ER Pathway Model, Agonist Model Score 0 Unitless OC1CCCCC1 Cyclohexanol 108-93-0|Cyclohexanol|1-Cyclohexanol|4-06-00-00020|Adronal|Adronol|BRN 0906744|Cicloesanolo|ciclohexanol|Cyclohexanone cyclohexanol mixture|Cyclohexyl alcohol|Cykloheksanol|EINECS 203-630-6|Hexahydrophenol|Hexalin|Hydralin|Hydrophenol|Hydroxycyclohexane|NSC 403656|NSC 54711|Phenol, hexahydro-|UNII-8E7S519M3P|2263936-22-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021894 https://doi.org/10.22427/NTP-DATA-DTXSID4021894
ERPathway2016 ERPathway2016_1119 Cyclohexanol 108-93-0 DTXSID4021894 ER Pathway Model, Antagonist Model Score 0 Unitless OC1CCCCC1 Cyclohexanol 108-93-0|Cyclohexanol|1-Cyclohexanol|4-06-00-00020|Adronal|Adronol|BRN 0906744|Cicloesanolo|ciclohexanol|Cyclohexanone cyclohexanol mixture|Cyclohexyl alcohol|Cykloheksanol|EINECS 203-630-6|Hexahydrophenol|Hexalin|Hydralin|Hydrophenol|Hydroxycyclohexane|NSC 403656|NSC 54711|Phenol, hexahydro-|UNII-8E7S519M3P|2263936-22-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021894 https://doi.org/10.22427/NTP-DATA-DTXSID4021894
ERPathway2016 ERPathway2016_1119 Cyclohexanol 108-93-0 DTXSID4021894 ER Pathway Model, Agonist Call Inactive Unitless OC1CCCCC1 Cyclohexanol 108-93-0|Cyclohexanol|1-Cyclohexanol|4-06-00-00020|Adronal|Adronol|BRN 0906744|Cicloesanolo|ciclohexanol|Cyclohexanone cyclohexanol mixture|Cyclohexyl alcohol|Cykloheksanol|EINECS 203-630-6|Hexahydrophenol|Hexalin|Hydralin|Hydrophenol|Hydroxycyclohexane|NSC 403656|NSC 54711|Phenol, hexahydro-|UNII-8E7S519M3P|2263936-22-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021894 https://doi.org/10.22427/NTP-DATA-DTXSID4021894
ERPathway2016 ERPathway2016_1119 Cyclohexanol 108-93-0 DTXSID4021894 ER Pathway Model, Antagonist Call Inactive Unitless OC1CCCCC1 Cyclohexanol 108-93-0|Cyclohexanol|1-Cyclohexanol|4-06-00-00020|Adronal|Adronol|BRN 0906744|Cicloesanolo|ciclohexanol|Cyclohexanone cyclohexanol mixture|Cyclohexyl alcohol|Cykloheksanol|EINECS 203-630-6|Hexahydrophenol|Hexalin|Hydralin|Hydrophenol|Hydroxycyclohexane|NSC 403656|NSC 54711|Phenol, hexahydro-|UNII-8E7S519M3P|2263936-22-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021894 https://doi.org/10.22427/NTP-DATA-DTXSID4021894
ARPathway2016 ARPathway2016_522 Cyclohexanone 108-94-1 DTXSID6020359 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C1CCCCC1 Cyclohexanone 108-94-1|Cyclohexanone|ANON|Anone|Caswell No. 270|Cicloesanone|ciclohexanona|Cyclic ketone|Cyclohexanon|Cyclohexanon(dutch)|Cyclohexanone homopolymer|Cyclohexyl ketone|Cykloheksanon|EINECS 203-631-1|EPA Pesticide Chemical Code 025902|Hexanon|Hytrol O|Hytrolo|Ketocyclohexane|KETOHEXAMETHYLENE|Nadone|NCI-C55005|NSC 5711|Oxocyclohexane|PIMELIC KETONE|Pimelin ketone|Rcra waste number U057|Sextone|UN 1915|UNII-5QOR3YM052 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020359 https://doi.org/10.22427/NTP-DATA-DTXSID6020359
ARPathway2016 ARPathway2016_522 Cyclohexanone 108-94-1 DTXSID6020359 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C1CCCCC1 Cyclohexanone 108-94-1|Cyclohexanone|ANON|Anone|Caswell No. 270|Cicloesanone|ciclohexanona|Cyclic ketone|Cyclohexanon|Cyclohexanon(dutch)|Cyclohexanone homopolymer|Cyclohexyl ketone|Cykloheksanon|EINECS 203-631-1|EPA Pesticide Chemical Code 025902|Hexanon|Hytrol O|Hytrolo|Ketocyclohexane|KETOHEXAMETHYLENE|Nadone|NCI-C55005|NSC 5711|Oxocyclohexane|PIMELIC KETONE|Pimelin ketone|Rcra waste number U057|Sextone|UN 1915|UNII-5QOR3YM052 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020359 https://doi.org/10.22427/NTP-DATA-DTXSID6020359
ARPathway2016 ARPathway2016_522 Cyclohexanone 108-94-1 DTXSID6020359 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C1CCCCC1 Cyclohexanone 108-94-1|Cyclohexanone|ANON|Anone|Caswell No. 270|Cicloesanone|ciclohexanona|Cyclic ketone|Cyclohexanon|Cyclohexanon(dutch)|Cyclohexanone homopolymer|Cyclohexyl ketone|Cykloheksanon|EINECS 203-631-1|EPA Pesticide Chemical Code 025902|Hexanon|Hytrol O|Hytrolo|Ketocyclohexane|KETOHEXAMETHYLENE|Nadone|NCI-C55005|NSC 5711|Oxocyclohexane|PIMELIC KETONE|Pimelin ketone|Rcra waste number U057|Sextone|UN 1915|UNII-5QOR3YM052 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020359 https://doi.org/10.22427/NTP-DATA-DTXSID6020359
ARPathway2016 ARPathway2016_522 Cyclohexanone 108-94-1 DTXSID6020359 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C1CCCCC1 Cyclohexanone 108-94-1|Cyclohexanone|ANON|Anone|Caswell No. 270|Cicloesanone|ciclohexanona|Cyclic ketone|Cyclohexanon|Cyclohexanon(dutch)|Cyclohexanone homopolymer|Cyclohexyl ketone|Cykloheksanon|EINECS 203-631-1|EPA Pesticide Chemical Code 025902|Hexanon|Hytrol O|Hytrolo|Ketocyclohexane|KETOHEXAMETHYLENE|Nadone|NCI-C55005|NSC 5711|Oxocyclohexane|PIMELIC KETONE|Pimelin ketone|Rcra waste number U057|Sextone|UN 1915|UNII-5QOR3YM052 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020359 https://doi.org/10.22427/NTP-DATA-DTXSID6020359
ERPathway2016 ERPathway2016_1120 Cyclohexanone 108-94-1 DTXSID6020359 ER Pathway Model, Agonist Model Score 0 Unitless O=C1CCCCC1 Cyclohexanone 108-94-1|Cyclohexanone|ANON|Anone|Caswell No. 270|Cicloesanone|ciclohexanona|Cyclic ketone|Cyclohexanon|Cyclohexanon(dutch)|Cyclohexanone homopolymer|Cyclohexyl ketone|Cykloheksanon|EINECS 203-631-1|EPA Pesticide Chemical Code 025902|Hexanon|Hytrol O|Hytrolo|Ketocyclohexane|KETOHEXAMETHYLENE|Nadone|NCI-C55005|NSC 5711|Oxocyclohexane|PIMELIC KETONE|Pimelin ketone|Rcra waste number U057|Sextone|UN 1915|UNII-5QOR3YM052 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020359 https://doi.org/10.22427/NTP-DATA-DTXSID6020359
ERPathway2016 ERPathway2016_1120 Cyclohexanone 108-94-1 DTXSID6020359 ER Pathway Model, Antagonist Model Score 0 Unitless O=C1CCCCC1 Cyclohexanone 108-94-1|Cyclohexanone|ANON|Anone|Caswell No. 270|Cicloesanone|ciclohexanona|Cyclic ketone|Cyclohexanon|Cyclohexanon(dutch)|Cyclohexanone homopolymer|Cyclohexyl ketone|Cykloheksanon|EINECS 203-631-1|EPA Pesticide Chemical Code 025902|Hexanon|Hytrol O|Hytrolo|Ketocyclohexane|KETOHEXAMETHYLENE|Nadone|NCI-C55005|NSC 5711|Oxocyclohexane|PIMELIC KETONE|Pimelin ketone|Rcra waste number U057|Sextone|UN 1915|UNII-5QOR3YM052 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020359 https://doi.org/10.22427/NTP-DATA-DTXSID6020359
ERPathway2016 ERPathway2016_1120 Cyclohexanone 108-94-1 DTXSID6020359 ER Pathway Model, Agonist Call Inactive Unitless O=C1CCCCC1 Cyclohexanone 108-94-1|Cyclohexanone|ANON|Anone|Caswell No. 270|Cicloesanone|ciclohexanona|Cyclic ketone|Cyclohexanon|Cyclohexanon(dutch)|Cyclohexanone homopolymer|Cyclohexyl ketone|Cykloheksanon|EINECS 203-631-1|EPA Pesticide Chemical Code 025902|Hexanon|Hytrol O|Hytrolo|Ketocyclohexane|KETOHEXAMETHYLENE|Nadone|NCI-C55005|NSC 5711|Oxocyclohexane|PIMELIC KETONE|Pimelin ketone|Rcra waste number U057|Sextone|UN 1915|UNII-5QOR3YM052 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020359 https://doi.org/10.22427/NTP-DATA-DTXSID6020359
ERPathway2016 ERPathway2016_1120 Cyclohexanone 108-94-1 DTXSID6020359 ER Pathway Model, Antagonist Call Inactive Unitless O=C1CCCCC1 Cyclohexanone 108-94-1|Cyclohexanone|ANON|Anone|Caswell No. 270|Cicloesanone|ciclohexanona|Cyclic ketone|Cyclohexanon|Cyclohexanon(dutch)|Cyclohexanone homopolymer|Cyclohexyl ketone|Cykloheksanon|EINECS 203-631-1|EPA Pesticide Chemical Code 025902|Hexanon|Hytrol O|Hytrolo|Ketocyclohexane|KETOHEXAMETHYLENE|Nadone|NCI-C55005|NSC 5711|Oxocyclohexane|PIMELIC KETONE|Pimelin ketone|Rcra waste number U057|Sextone|UN 1915|UNII-5QOR3YM052 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020359 https://doi.org/10.22427/NTP-DATA-DTXSID6020359
ARPathway2016 ARPathway2016_401 Cyclohexanone oxime 100-64-1 DTXSID4021842 0.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless ON=C1CCCCC1 Cyclohexanone oxime 100-64-1|Cyclohexanone oxime|(Hydroxyimino)cyclohexane|4-07-00-00021|BRN 1616769|ciclohexanona-oxima|CYCLOHEXANON-OXIM|Cyclohexanone-oxime|Cyclohexanone, oxime|Cyclohexanonoxim|EINECS 202-874-0|NSC 6300|OxiKhim-Styrol|UNII-2U60L00CGF|1071540-61-8|136056-95-6|136057-01-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021842 https://doi.org/10.22427/NTP-DATA-DTXSID4021842
ARPathway2016 ARPathway2016_401 Cyclohexanone oxime 100-64-1 DTXSID4021842 0.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless ON=C1CCCCC1 Cyclohexanone oxime 100-64-1|Cyclohexanone oxime|(Hydroxyimino)cyclohexane|4-07-00-00021|BRN 1616769|ciclohexanona-oxima|CYCLOHEXANON-OXIM|Cyclohexanone-oxime|Cyclohexanone, oxime|Cyclohexanonoxim|EINECS 202-874-0|NSC 6300|OxiKhim-Styrol|UNII-2U60L00CGF|1071540-61-8|136056-95-6|136057-01-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021842 https://doi.org/10.22427/NTP-DATA-DTXSID4021842
ARPathway2016 ARPathway2016_401 Cyclohexanone oxime 100-64-1 DTXSID4021842 0.0 R5 AR Pathway Model, Agonist Call Inactive Unitless ON=C1CCCCC1 Cyclohexanone oxime 100-64-1|Cyclohexanone oxime|(Hydroxyimino)cyclohexane|4-07-00-00021|BRN 1616769|ciclohexanona-oxima|CYCLOHEXANON-OXIM|Cyclohexanone-oxime|Cyclohexanone, oxime|Cyclohexanonoxim|EINECS 202-874-0|NSC 6300|OxiKhim-Styrol|UNII-2U60L00CGF|1071540-61-8|136056-95-6|136057-01-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021842 https://doi.org/10.22427/NTP-DATA-DTXSID4021842
ARPathway2016 ARPathway2016_401 Cyclohexanone oxime 100-64-1 DTXSID4021842 0.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless ON=C1CCCCC1 Cyclohexanone oxime 100-64-1|Cyclohexanone oxime|(Hydroxyimino)cyclohexane|4-07-00-00021|BRN 1616769|ciclohexanona-oxima|CYCLOHEXANON-OXIM|Cyclohexanone-oxime|Cyclohexanone, oxime|Cyclohexanonoxim|EINECS 202-874-0|NSC 6300|OxiKhim-Styrol|UNII-2U60L00CGF|1071540-61-8|136056-95-6|136057-01-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021842 https://doi.org/10.22427/NTP-DATA-DTXSID4021842
ERPathway2016 ERPathway2016_1058 Cyclohexanone oxime 100-64-1 DTXSID4021842 ER Pathway Model, Agonist Model Score 0 Unitless ON=C1CCCCC1 Cyclohexanone oxime 100-64-1|Cyclohexanone oxime|(Hydroxyimino)cyclohexane|4-07-00-00021|BRN 1616769|ciclohexanona-oxima|CYCLOHEXANON-OXIM|Cyclohexanone-oxime|Cyclohexanone, oxime|Cyclohexanonoxim|EINECS 202-874-0|NSC 6300|OxiKhim-Styrol|UNII-2U60L00CGF|1071540-61-8|136056-95-6|136057-01-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021842 https://doi.org/10.22427/NTP-DATA-DTXSID4021842
ERPathway2016 ERPathway2016_1058 Cyclohexanone oxime 100-64-1 DTXSID4021842 ER Pathway Model, Antagonist Model Score 0 Unitless ON=C1CCCCC1 Cyclohexanone oxime 100-64-1|Cyclohexanone oxime|(Hydroxyimino)cyclohexane|4-07-00-00021|BRN 1616769|ciclohexanona-oxima|CYCLOHEXANON-OXIM|Cyclohexanone-oxime|Cyclohexanone, oxime|Cyclohexanonoxim|EINECS 202-874-0|NSC 6300|OxiKhim-Styrol|UNII-2U60L00CGF|1071540-61-8|136056-95-6|136057-01-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021842 https://doi.org/10.22427/NTP-DATA-DTXSID4021842
ERPathway2016 ERPathway2016_1058 Cyclohexanone oxime 100-64-1 DTXSID4021842 ER Pathway Model, Agonist Call Inactive Unitless ON=C1CCCCC1 Cyclohexanone oxime 100-64-1|Cyclohexanone oxime|(Hydroxyimino)cyclohexane|4-07-00-00021|BRN 1616769|ciclohexanona-oxima|CYCLOHEXANON-OXIM|Cyclohexanone-oxime|Cyclohexanone, oxime|Cyclohexanonoxim|EINECS 202-874-0|NSC 6300|OxiKhim-Styrol|UNII-2U60L00CGF|1071540-61-8|136056-95-6|136057-01-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021842 https://doi.org/10.22427/NTP-DATA-DTXSID4021842
ERPathway2016 ERPathway2016_1058 Cyclohexanone oxime 100-64-1 DTXSID4021842 ER Pathway Model, Antagonist Call Inactive Unitless ON=C1CCCCC1 Cyclohexanone oxime 100-64-1|Cyclohexanone oxime|(Hydroxyimino)cyclohexane|4-07-00-00021|BRN 1616769|ciclohexanona-oxima|CYCLOHEXANON-OXIM|Cyclohexanone-oxime|Cyclohexanone, oxime|Cyclohexanonoxim|EINECS 202-874-0|NSC 6300|OxiKhim-Styrol|UNII-2U60L00CGF|1071540-61-8|136056-95-6|136057-01-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021842 https://doi.org/10.22427/NTP-DATA-DTXSID4021842
ARPathway2016 ARPathway2016_245 Cycloheximide 66-81-9 DTXSID6024882 FLAG: Wrong direction shift (Hit/Hit) 2.0 Antagonist AR Pathway Model, Agonist AC50 0.602905419 uM [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1 Cycloheximide 66-81-9|Cycloheximide|(1S-(1alpha(S*),3alpha,5beta))-4-(2-(3,5-Dimethyl-2-oxo-cyclohexyl))-2-hydroxyethyl-2,6-piperidinedione|2,6-Piperidinedione, 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-|2,6-Piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, [1S-[1a(S*),3a,5b]]-|200-636-0|3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethylglutarimide|3-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]glutarimide|4-((2R)-2-((1S,3S,5S)-(3,5-Dimethyl-2-oxocyclohexyl))-2-hydroxyethyl)piperidine-2,6-dione|4-[(2R)-2-[(1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-piperidinedione|5-21-13-00434|Acti-Aid|Acti-dione|Acti-dione BR|Acti-dione PM|Acti-dione TGF|Actidion|Actidione|Actidione BR|Actidione PM|Actidione TGF|Actidone|Actispray|Aktidion|beta-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|BRN 0088868|Caswell No. 270A|CHX|17974-04-8|21059-09-6|4630-76-6|6399-67-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024882 https://doi.org/10.22427/NTP-DATA-DTXSID6024882
ARPathway2016 ARPathway2016_245 Cycloheximide 66-81-9 DTXSID6024882 FLAG: Wrong direction shift (Hit/Hit) 2.0 Antagonist AR Pathway Model, Agonist ACC 0.593802988793149 uM [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1 Cycloheximide 66-81-9|Cycloheximide|(1S-(1alpha(S*),3alpha,5beta))-4-(2-(3,5-Dimethyl-2-oxo-cyclohexyl))-2-hydroxyethyl-2,6-piperidinedione|2,6-Piperidinedione, 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-|2,6-Piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, [1S-[1a(S*),3a,5b]]-|200-636-0|3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethylglutarimide|3-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]glutarimide|4-((2R)-2-((1S,3S,5S)-(3,5-Dimethyl-2-oxocyclohexyl))-2-hydroxyethyl)piperidine-2,6-dione|4-[(2R)-2-[(1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-piperidinedione|5-21-13-00434|Acti-Aid|Acti-dione|Acti-dione BR|Acti-dione PM|Acti-dione TGF|Actidion|Actidione|Actidione BR|Actidione PM|Actidione TGF|Actidone|Actispray|Aktidion|beta-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|BRN 0088868|Caswell No. 270A|CHX|17974-04-8|21059-09-6|4630-76-6|6399-67-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024882 https://doi.org/10.22427/NTP-DATA-DTXSID6024882
ARPathway2016 ARPathway2016_245 Cycloheximide 66-81-9 DTXSID6024882 FLAG: Wrong direction shift (Hit/Hit) 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.215 Unitless [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1 Cycloheximide 66-81-9|Cycloheximide|(1S-(1alpha(S*),3alpha,5beta))-4-(2-(3,5-Dimethyl-2-oxo-cyclohexyl))-2-hydroxyethyl-2,6-piperidinedione|2,6-Piperidinedione, 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-|2,6-Piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, [1S-[1a(S*),3a,5b]]-|200-636-0|3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethylglutarimide|3-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]glutarimide|4-((2R)-2-((1S,3S,5S)-(3,5-Dimethyl-2-oxocyclohexyl))-2-hydroxyethyl)piperidine-2,6-dione|4-[(2R)-2-[(1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-piperidinedione|5-21-13-00434|Acti-Aid|Acti-dione|Acti-dione BR|Acti-dione PM|Acti-dione TGF|Actidion|Actidione|Actidione BR|Actidione PM|Actidione TGF|Actidone|Actispray|Aktidion|beta-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|BRN 0088868|Caswell No. 270A|CHX|17974-04-8|21059-09-6|4630-76-6|6399-67-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024882 https://doi.org/10.22427/NTP-DATA-DTXSID6024882
ARPathway2016 ARPathway2016_245 Cycloheximide 66-81-9 DTXSID6024882 FLAG: Wrong direction shift (Hit/Hit) 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1 Cycloheximide 66-81-9|Cycloheximide|(1S-(1alpha(S*),3alpha,5beta))-4-(2-(3,5-Dimethyl-2-oxo-cyclohexyl))-2-hydroxyethyl-2,6-piperidinedione|2,6-Piperidinedione, 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-|2,6-Piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, [1S-[1a(S*),3a,5b]]-|200-636-0|3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethylglutarimide|3-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]glutarimide|4-((2R)-2-((1S,3S,5S)-(3,5-Dimethyl-2-oxocyclohexyl))-2-hydroxyethyl)piperidine-2,6-dione|4-[(2R)-2-[(1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-piperidinedione|5-21-13-00434|Acti-Aid|Acti-dione|Acti-dione BR|Acti-dione PM|Acti-dione TGF|Actidion|Actidione|Actidione BR|Actidione PM|Actidione TGF|Actidone|Actispray|Aktidion|beta-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|BRN 0088868|Caswell No. 270A|CHX|17974-04-8|21059-09-6|4630-76-6|6399-67-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024882 https://doi.org/10.22427/NTP-DATA-DTXSID6024882
ARPathway2016 ARPathway2016_245 Cycloheximide 66-81-9 DTXSID6024882 FLAG: Wrong direction shift (Hit/Hit) 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1 Cycloheximide 66-81-9|Cycloheximide|(1S-(1alpha(S*),3alpha,5beta))-4-(2-(3,5-Dimethyl-2-oxo-cyclohexyl))-2-hydroxyethyl-2,6-piperidinedione|2,6-Piperidinedione, 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-|2,6-Piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, [1S-[1a(S*),3a,5b]]-|200-636-0|3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethylglutarimide|3-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]glutarimide|4-((2R)-2-((1S,3S,5S)-(3,5-Dimethyl-2-oxocyclohexyl))-2-hydroxyethyl)piperidine-2,6-dione|4-[(2R)-2-[(1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-piperidinedione|5-21-13-00434|Acti-Aid|Acti-dione|Acti-dione BR|Acti-dione PM|Acti-dione TGF|Actidion|Actidione|Actidione BR|Actidione PM|Actidione TGF|Actidone|Actispray|Aktidion|beta-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|BRN 0088868|Caswell No. 270A|CHX|17974-04-8|21059-09-6|4630-76-6|6399-67-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024882 https://doi.org/10.22427/NTP-DATA-DTXSID6024882
ARPathway2016 ARPathway2016_245 Cycloheximide 66-81-9 DTXSID6024882 FLAG: Wrong direction shift (Hit/Hit) 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1 Cycloheximide 66-81-9|Cycloheximide|(1S-(1alpha(S*),3alpha,5beta))-4-(2-(3,5-Dimethyl-2-oxo-cyclohexyl))-2-hydroxyethyl-2,6-piperidinedione|2,6-Piperidinedione, 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-|2,6-Piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, [1S-[1a(S*),3a,5b]]-|200-636-0|3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethylglutarimide|3-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]glutarimide|4-((2R)-2-((1S,3S,5S)-(3,5-Dimethyl-2-oxocyclohexyl))-2-hydroxyethyl)piperidine-2,6-dione|4-[(2R)-2-[(1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-piperidinedione|5-21-13-00434|Acti-Aid|Acti-dione|Acti-dione BR|Acti-dione PM|Acti-dione TGF|Actidion|Actidione|Actidione BR|Actidione PM|Actidione TGF|Actidone|Actispray|Aktidion|beta-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|BRN 0088868|Caswell No. 270A|CHX|17974-04-8|21059-09-6|4630-76-6|6399-67-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024882 https://doi.org/10.22427/NTP-DATA-DTXSID6024882
ERPathway2016 ERPathway2016_103 Cycloheximide 66-81-9 DTXSID6024882 Antagonist ER Pathway Model, Agonist AC50 5.60154499074194 uM [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1 Cycloheximide 66-81-9|Cycloheximide|(1S-(1alpha(S*),3alpha,5beta))-4-(2-(3,5-Dimethyl-2-oxo-cyclohexyl))-2-hydroxyethyl-2,6-piperidinedione|2,6-Piperidinedione, 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-|2,6-Piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, [1S-[1a(S*),3a,5b]]-|200-636-0|3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethylglutarimide|3-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]glutarimide|4-((2R)-2-((1S,3S,5S)-(3,5-Dimethyl-2-oxocyclohexyl))-2-hydroxyethyl)piperidine-2,6-dione|4-[(2R)-2-[(1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-piperidinedione|5-21-13-00434|Acti-Aid|Acti-dione|Acti-dione BR|Acti-dione PM|Acti-dione TGF|Actidion|Actidione|Actidione BR|Actidione PM|Actidione TGF|Actidone|Actispray|Aktidion|beta-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|BRN 0088868|Caswell No. 270A|CHX|17974-04-8|21059-09-6|4630-76-6|6399-67-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024882 https://doi.org/10.22427/NTP-DATA-DTXSID6024882
ERPathway2016 ERPathway2016_103 Cycloheximide 66-81-9 DTXSID6024882 Antagonist ER Pathway Model, Agonist ACC 4.66717801266788 uM [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1 Cycloheximide 66-81-9|Cycloheximide|(1S-(1alpha(S*),3alpha,5beta))-4-(2-(3,5-Dimethyl-2-oxo-cyclohexyl))-2-hydroxyethyl-2,6-piperidinedione|2,6-Piperidinedione, 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-|2,6-Piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, [1S-[1a(S*),3a,5b]]-|200-636-0|3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethylglutarimide|3-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]glutarimide|4-((2R)-2-((1S,3S,5S)-(3,5-Dimethyl-2-oxocyclohexyl))-2-hydroxyethyl)piperidine-2,6-dione|4-[(2R)-2-[(1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-piperidinedione|5-21-13-00434|Acti-Aid|Acti-dione|Acti-dione BR|Acti-dione PM|Acti-dione TGF|Actidion|Actidione|Actidione BR|Actidione PM|Actidione TGF|Actidone|Actispray|Aktidion|beta-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|BRN 0088868|Caswell No. 270A|CHX|17974-04-8|21059-09-6|4630-76-6|6399-67-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024882 https://doi.org/10.22427/NTP-DATA-DTXSID6024882
ERPathway2016 ERPathway2016_103 Cycloheximide 66-81-9 DTXSID6024882 Antagonist ER Pathway Model, Agonist Model Score 0 Unitless [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1 Cycloheximide 66-81-9|Cycloheximide|(1S-(1alpha(S*),3alpha,5beta))-4-(2-(3,5-Dimethyl-2-oxo-cyclohexyl))-2-hydroxyethyl-2,6-piperidinedione|2,6-Piperidinedione, 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-|2,6-Piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, [1S-[1a(S*),3a,5b]]-|200-636-0|3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethylglutarimide|3-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]glutarimide|4-((2R)-2-((1S,3S,5S)-(3,5-Dimethyl-2-oxocyclohexyl))-2-hydroxyethyl)piperidine-2,6-dione|4-[(2R)-2-[(1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-piperidinedione|5-21-13-00434|Acti-Aid|Acti-dione|Acti-dione BR|Acti-dione PM|Acti-dione TGF|Actidion|Actidione|Actidione BR|Actidione PM|Actidione TGF|Actidone|Actispray|Aktidion|beta-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|BRN 0088868|Caswell No. 270A|CHX|17974-04-8|21059-09-6|4630-76-6|6399-67-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024882 https://doi.org/10.22427/NTP-DATA-DTXSID6024882
ERPathway2016 ERPathway2016_103 Cycloheximide 66-81-9 DTXSID6024882 Antagonist ER Pathway Model, Antagonist Model Score 0.146 Unitless [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1 Cycloheximide 66-81-9|Cycloheximide|(1S-(1alpha(S*),3alpha,5beta))-4-(2-(3,5-Dimethyl-2-oxo-cyclohexyl))-2-hydroxyethyl-2,6-piperidinedione|2,6-Piperidinedione, 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-|2,6-Piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, [1S-[1a(S*),3a,5b]]-|200-636-0|3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethylglutarimide|3-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]glutarimide|4-((2R)-2-((1S,3S,5S)-(3,5-Dimethyl-2-oxocyclohexyl))-2-hydroxyethyl)piperidine-2,6-dione|4-[(2R)-2-[(1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-piperidinedione|5-21-13-00434|Acti-Aid|Acti-dione|Acti-dione BR|Acti-dione PM|Acti-dione TGF|Actidion|Actidione|Actidione BR|Actidione PM|Actidione TGF|Actidone|Actispray|Aktidion|beta-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|BRN 0088868|Caswell No. 270A|CHX|17974-04-8|21059-09-6|4630-76-6|6399-67-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024882 https://doi.org/10.22427/NTP-DATA-DTXSID6024882
ERPathway2016 ERPathway2016_103 Cycloheximide 66-81-9 DTXSID6024882 Antagonist ER Pathway Model, Agonist Call Active Unitless [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1 Cycloheximide 66-81-9|Cycloheximide|(1S-(1alpha(S*),3alpha,5beta))-4-(2-(3,5-Dimethyl-2-oxo-cyclohexyl))-2-hydroxyethyl-2,6-piperidinedione|2,6-Piperidinedione, 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-|2,6-Piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, [1S-[1a(S*),3a,5b]]-|200-636-0|3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethylglutarimide|3-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]glutarimide|4-((2R)-2-((1S,3S,5S)-(3,5-Dimethyl-2-oxocyclohexyl))-2-hydroxyethyl)piperidine-2,6-dione|4-[(2R)-2-[(1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-piperidinedione|5-21-13-00434|Acti-Aid|Acti-dione|Acti-dione BR|Acti-dione PM|Acti-dione TGF|Actidion|Actidione|Actidione BR|Actidione PM|Actidione TGF|Actidone|Actispray|Aktidion|beta-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|BRN 0088868|Caswell No. 270A|CHX|17974-04-8|21059-09-6|4630-76-6|6399-67-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024882 https://doi.org/10.22427/NTP-DATA-DTXSID6024882
ERPathway2016 ERPathway2016_103 Cycloheximide 66-81-9 DTXSID6024882 Antagonist ER Pathway Model, Antagonist Call Inactive Unitless [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1 Cycloheximide 66-81-9|Cycloheximide|(1S-(1alpha(S*),3alpha,5beta))-4-(2-(3,5-Dimethyl-2-oxo-cyclohexyl))-2-hydroxyethyl-2,6-piperidinedione|2,6-Piperidinedione, 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-|2,6-Piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, [1S-[1a(S*),3a,5b]]-|200-636-0|3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|3-(2R)-2-((1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethylglutarimide|3-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]glutarimide|4-((2R)-2-((1S,3S,5S)-(3,5-Dimethyl-2-oxocyclohexyl))-2-hydroxyethyl)piperidine-2,6-dione|4-[(2R)-2-[(1S,3S,5S)-3,5-Dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-piperidinedione|5-21-13-00434|Acti-Aid|Acti-dione|Acti-dione BR|Acti-dione PM|Acti-dione TGF|Actidion|Actidione|Actidione BR|Actidione PM|Actidione TGF|Actidone|Actispray|Aktidion|beta-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|BRN 0088868|Caswell No. 270A|CHX|17974-04-8|21059-09-6|4630-76-6|6399-67-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024882 https://doi.org/10.22427/NTP-DATA-DTXSID6024882
ARPathway2016 ARPathway2016_520 Cyclohexylamine 108-91-8 DTXSID1023996 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1CCCCC1 Cyclohexylamine 108-91-8|Cyclohexylamine|1-AMINO-CYCLOHEXANE|1-Aminocyclohexane|1-Cyclohexylamine|203-629-0|4-12-00-00008|Aminocyclohexane|Aminocylcohexane|Aminohexahydrobenzene|Aniline, hexahydro-|Benzenamine, hexahydro-|Biodur E 1|BRN 0471175|ciclohexilamina|Cyclohexanamin|Cyclohexanamine|Cyclohexaneamine|Cyclohexyl amine|Cyclohexylamin|Cyclohexylamine [UN2357] [Corrosive]|EC No.: 203-629-0|EINECS 203-629-0|Hexahydro-Aniline|Hexahydro-Benzenamine|Hexahydroaniline|Hexahydrobenzenamine|HY|Monocyclohexylamine|N-Cyclohexylamine|UN 2357|UNII-I6GH4W7AEG|1357848-57-7|143247-75-0|1533423-50-5|157973-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023996 https://doi.org/10.22427/NTP-DATA-DTXSID1023996
ARPathway2016 ARPathway2016_520 Cyclohexylamine 108-91-8 DTXSID1023996 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1CCCCC1 Cyclohexylamine 108-91-8|Cyclohexylamine|1-AMINO-CYCLOHEXANE|1-Aminocyclohexane|1-Cyclohexylamine|203-629-0|4-12-00-00008|Aminocyclohexane|Aminocylcohexane|Aminohexahydrobenzene|Aniline, hexahydro-|Benzenamine, hexahydro-|Biodur E 1|BRN 0471175|ciclohexilamina|Cyclohexanamin|Cyclohexanamine|Cyclohexaneamine|Cyclohexyl amine|Cyclohexylamin|Cyclohexylamine [UN2357] [Corrosive]|EC No.: 203-629-0|EINECS 203-629-0|Hexahydro-Aniline|Hexahydro-Benzenamine|Hexahydroaniline|Hexahydrobenzenamine|HY|Monocyclohexylamine|N-Cyclohexylamine|UN 2357|UNII-I6GH4W7AEG|1357848-57-7|143247-75-0|1533423-50-5|157973-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023996 https://doi.org/10.22427/NTP-DATA-DTXSID1023996
ARPathway2016 ARPathway2016_520 Cyclohexylamine 108-91-8 DTXSID1023996 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1CCCCC1 Cyclohexylamine 108-91-8|Cyclohexylamine|1-AMINO-CYCLOHEXANE|1-Aminocyclohexane|1-Cyclohexylamine|203-629-0|4-12-00-00008|Aminocyclohexane|Aminocylcohexane|Aminohexahydrobenzene|Aniline, hexahydro-|Benzenamine, hexahydro-|Biodur E 1|BRN 0471175|ciclohexilamina|Cyclohexanamin|Cyclohexanamine|Cyclohexaneamine|Cyclohexyl amine|Cyclohexylamin|Cyclohexylamine [UN2357] [Corrosive]|EC No.: 203-629-0|EINECS 203-629-0|Hexahydro-Aniline|Hexahydro-Benzenamine|Hexahydroaniline|Hexahydrobenzenamine|HY|Monocyclohexylamine|N-Cyclohexylamine|UN 2357|UNII-I6GH4W7AEG|1357848-57-7|143247-75-0|1533423-50-5|157973-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023996 https://doi.org/10.22427/NTP-DATA-DTXSID1023996
ARPathway2016 ARPathway2016_520 Cyclohexylamine 108-91-8 DTXSID1023996 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1CCCCC1 Cyclohexylamine 108-91-8|Cyclohexylamine|1-AMINO-CYCLOHEXANE|1-Aminocyclohexane|1-Cyclohexylamine|203-629-0|4-12-00-00008|Aminocyclohexane|Aminocylcohexane|Aminohexahydrobenzene|Aniline, hexahydro-|Benzenamine, hexahydro-|Biodur E 1|BRN 0471175|ciclohexilamina|Cyclohexanamin|Cyclohexanamine|Cyclohexaneamine|Cyclohexyl amine|Cyclohexylamin|Cyclohexylamine [UN2357] [Corrosive]|EC No.: 203-629-0|EINECS 203-629-0|Hexahydro-Aniline|Hexahydro-Benzenamine|Hexahydroaniline|Hexahydrobenzenamine|HY|Monocyclohexylamine|N-Cyclohexylamine|UN 2357|UNII-I6GH4W7AEG|1357848-57-7|143247-75-0|1533423-50-5|157973-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023996 https://doi.org/10.22427/NTP-DATA-DTXSID1023996
ERPathway2016 ERPathway2016_1118 Cyclohexylamine 108-91-8 DTXSID1023996 ER Pathway Model, Agonist Model Score 0 Unitless NC1CCCCC1 Cyclohexylamine 108-91-8|Cyclohexylamine|1-AMINO-CYCLOHEXANE|1-Aminocyclohexane|1-Cyclohexylamine|203-629-0|4-12-00-00008|Aminocyclohexane|Aminocylcohexane|Aminohexahydrobenzene|Aniline, hexahydro-|Benzenamine, hexahydro-|Biodur E 1|BRN 0471175|ciclohexilamina|Cyclohexanamin|Cyclohexanamine|Cyclohexaneamine|Cyclohexyl amine|Cyclohexylamin|Cyclohexylamine [UN2357] [Corrosive]|EC No.: 203-629-0|EINECS 203-629-0|Hexahydro-Aniline|Hexahydro-Benzenamine|Hexahydroaniline|Hexahydrobenzenamine|HY|Monocyclohexylamine|N-Cyclohexylamine|UN 2357|UNII-I6GH4W7AEG|1357848-57-7|143247-75-0|1533423-50-5|157973-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023996 https://doi.org/10.22427/NTP-DATA-DTXSID1023996
ERPathway2016 ERPathway2016_1118 Cyclohexylamine 108-91-8 DTXSID1023996 ER Pathway Model, Antagonist Model Score 0 Unitless NC1CCCCC1 Cyclohexylamine 108-91-8|Cyclohexylamine|1-AMINO-CYCLOHEXANE|1-Aminocyclohexane|1-Cyclohexylamine|203-629-0|4-12-00-00008|Aminocyclohexane|Aminocylcohexane|Aminohexahydrobenzene|Aniline, hexahydro-|Benzenamine, hexahydro-|Biodur E 1|BRN 0471175|ciclohexilamina|Cyclohexanamin|Cyclohexanamine|Cyclohexaneamine|Cyclohexyl amine|Cyclohexylamin|Cyclohexylamine [UN2357] [Corrosive]|EC No.: 203-629-0|EINECS 203-629-0|Hexahydro-Aniline|Hexahydro-Benzenamine|Hexahydroaniline|Hexahydrobenzenamine|HY|Monocyclohexylamine|N-Cyclohexylamine|UN 2357|UNII-I6GH4W7AEG|1357848-57-7|143247-75-0|1533423-50-5|157973-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023996 https://doi.org/10.22427/NTP-DATA-DTXSID1023996
ERPathway2016 ERPathway2016_1118 Cyclohexylamine 108-91-8 DTXSID1023996 ER Pathway Model, Agonist Call Inactive Unitless NC1CCCCC1 Cyclohexylamine 108-91-8|Cyclohexylamine|1-AMINO-CYCLOHEXANE|1-Aminocyclohexane|1-Cyclohexylamine|203-629-0|4-12-00-00008|Aminocyclohexane|Aminocylcohexane|Aminohexahydrobenzene|Aniline, hexahydro-|Benzenamine, hexahydro-|Biodur E 1|BRN 0471175|ciclohexilamina|Cyclohexanamin|Cyclohexanamine|Cyclohexaneamine|Cyclohexyl amine|Cyclohexylamin|Cyclohexylamine [UN2357] [Corrosive]|EC No.: 203-629-0|EINECS 203-629-0|Hexahydro-Aniline|Hexahydro-Benzenamine|Hexahydroaniline|Hexahydrobenzenamine|HY|Monocyclohexylamine|N-Cyclohexylamine|UN 2357|UNII-I6GH4W7AEG|1357848-57-7|143247-75-0|1533423-50-5|157973-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023996 https://doi.org/10.22427/NTP-DATA-DTXSID1023996
ERPathway2016 ERPathway2016_1118 Cyclohexylamine 108-91-8 DTXSID1023996 ER Pathway Model, Antagonist Call Inactive Unitless NC1CCCCC1 Cyclohexylamine 108-91-8|Cyclohexylamine|1-AMINO-CYCLOHEXANE|1-Aminocyclohexane|1-Cyclohexylamine|203-629-0|4-12-00-00008|Aminocyclohexane|Aminocylcohexane|Aminohexahydrobenzene|Aniline, hexahydro-|Benzenamine, hexahydro-|Biodur E 1|BRN 0471175|ciclohexilamina|Cyclohexanamin|Cyclohexanamine|Cyclohexaneamine|Cyclohexyl amine|Cyclohexylamin|Cyclohexylamine [UN2357] [Corrosive]|EC No.: 203-629-0|EINECS 203-629-0|Hexahydro-Aniline|Hexahydro-Benzenamine|Hexahydroaniline|Hexahydrobenzenamine|HY|Monocyclohexylamine|N-Cyclohexylamine|UN 2357|UNII-I6GH4W7AEG|1357848-57-7|143247-75-0|1533423-50-5|157973-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023996 https://doi.org/10.22427/NTP-DATA-DTXSID1023996
ARPathway2016 ARPathway2016_1509 Cyclohexylphenylketone 712-50-5 DTXSID5048182 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C(C1CCCCC1)C1=CC=CC=C1 Cyclohexylphenylketone 712-50-5|Cyclohexylphenylketone|4-07-00-01062|Benzophenone, 1,2,3,4,5,6-hexahydro-|Benzoyl cyclohexane|BRN 2046712|Cyclohexyl phenyl ketone|EINECS 211-923-5|Ketone, cyclohexyl phenyl|Methanone, cyclohexylphenyl-|NSC 818|Phenyl cyclohexyl ketone|UNII-0NU53987V8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048182
ARPathway2016 ARPathway2016_1509 Cyclohexylphenylketone 712-50-5 DTXSID5048182 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C(C1CCCCC1)C1=CC=CC=C1 Cyclohexylphenylketone 712-50-5|Cyclohexylphenylketone|4-07-00-01062|Benzophenone, 1,2,3,4,5,6-hexahydro-|Benzoyl cyclohexane|BRN 2046712|Cyclohexyl phenyl ketone|EINECS 211-923-5|Ketone, cyclohexyl phenyl|Methanone, cyclohexylphenyl-|NSC 818|Phenyl cyclohexyl ketone|UNII-0NU53987V8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048182
ARPathway2016 ARPathway2016_1509 Cyclohexylphenylketone 712-50-5 DTXSID5048182 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C(C1CCCCC1)C1=CC=CC=C1 Cyclohexylphenylketone 712-50-5|Cyclohexylphenylketone|4-07-00-01062|Benzophenone, 1,2,3,4,5,6-hexahydro-|Benzoyl cyclohexane|BRN 2046712|Cyclohexyl phenyl ketone|EINECS 211-923-5|Ketone, cyclohexyl phenyl|Methanone, cyclohexylphenyl-|NSC 818|Phenyl cyclohexyl ketone|UNII-0NU53987V8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048182
ARPathway2016 ARPathway2016_1509 Cyclohexylphenylketone 712-50-5 DTXSID5048182 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C(C1CCCCC1)C1=CC=CC=C1 Cyclohexylphenylketone 712-50-5|Cyclohexylphenylketone|4-07-00-01062|Benzophenone, 1,2,3,4,5,6-hexahydro-|Benzoyl cyclohexane|BRN 2046712|Cyclohexyl phenyl ketone|EINECS 211-923-5|Ketone, cyclohexyl phenyl|Methanone, cyclohexylphenyl-|NSC 818|Phenyl cyclohexyl ketone|UNII-0NU53987V8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048182
ERPathway2016 ERPathway2016_343 Cyclohexylphenylketone 712-50-5 DTXSID5048182 ER Pathway Model, Antagonist AC50 39.5193851333697 uM O=C(C1CCCCC1)C1=CC=CC=C1 Cyclohexylphenylketone 712-50-5|Cyclohexylphenylketone|4-07-00-01062|Benzophenone, 1,2,3,4,5,6-hexahydro-|Benzoyl cyclohexane|BRN 2046712|Cyclohexyl phenyl ketone|EINECS 211-923-5|Ketone, cyclohexyl phenyl|Methanone, cyclohexylphenyl-|NSC 818|Phenyl cyclohexyl ketone|UNII-0NU53987V8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048182
ERPathway2016 ERPathway2016_343 Cyclohexylphenylketone 712-50-5 DTXSID5048182 ER Pathway Model, Antagonist ACC 16.3298311724411 uM O=C(C1CCCCC1)C1=CC=CC=C1 Cyclohexylphenylketone 712-50-5|Cyclohexylphenylketone|4-07-00-01062|Benzophenone, 1,2,3,4,5,6-hexahydro-|Benzoyl cyclohexane|BRN 2046712|Cyclohexyl phenyl ketone|EINECS 211-923-5|Ketone, cyclohexyl phenyl|Methanone, cyclohexylphenyl-|NSC 818|Phenyl cyclohexyl ketone|UNII-0NU53987V8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048182
ERPathway2016 ERPathway2016_343 Cyclohexylphenylketone 712-50-5 DTXSID5048182 ER Pathway Model, Agonist Model Score 0.0191 Unitless O=C(C1CCCCC1)C1=CC=CC=C1 Cyclohexylphenylketone 712-50-5|Cyclohexylphenylketone|4-07-00-01062|Benzophenone, 1,2,3,4,5,6-hexahydro-|Benzoyl cyclohexane|BRN 2046712|Cyclohexyl phenyl ketone|EINECS 211-923-5|Ketone, cyclohexyl phenyl|Methanone, cyclohexylphenyl-|NSC 818|Phenyl cyclohexyl ketone|UNII-0NU53987V8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048182
ERPathway2016 ERPathway2016_343 Cyclohexylphenylketone 712-50-5 DTXSID5048182 ER Pathway Model, Antagonist Model Score 0 Unitless O=C(C1CCCCC1)C1=CC=CC=C1 Cyclohexylphenylketone 712-50-5|Cyclohexylphenylketone|4-07-00-01062|Benzophenone, 1,2,3,4,5,6-hexahydro-|Benzoyl cyclohexane|BRN 2046712|Cyclohexyl phenyl ketone|EINECS 211-923-5|Ketone, cyclohexyl phenyl|Methanone, cyclohexylphenyl-|NSC 818|Phenyl cyclohexyl ketone|UNII-0NU53987V8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048182
ERPathway2016 ERPathway2016_343 Cyclohexylphenylketone 712-50-5 DTXSID5048182 ER Pathway Model, Agonist Call Inactive Unitless O=C(C1CCCCC1)C1=CC=CC=C1 Cyclohexylphenylketone 712-50-5|Cyclohexylphenylketone|4-07-00-01062|Benzophenone, 1,2,3,4,5,6-hexahydro-|Benzoyl cyclohexane|BRN 2046712|Cyclohexyl phenyl ketone|EINECS 211-923-5|Ketone, cyclohexyl phenyl|Methanone, cyclohexylphenyl-|NSC 818|Phenyl cyclohexyl ketone|UNII-0NU53987V8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048182
ERPathway2016 ERPathway2016_343 Cyclohexylphenylketone 712-50-5 DTXSID5048182 ER Pathway Model, Antagonist Call Active Unitless O=C(C1CCCCC1)C1=CC=CC=C1 Cyclohexylphenylketone 712-50-5|Cyclohexylphenylketone|4-07-00-01062|Benzophenone, 1,2,3,4,5,6-hexahydro-|Benzoyl cyclohexane|BRN 2046712|Cyclohexyl phenyl ketone|EINECS 211-923-5|Ketone, cyclohexyl phenyl|Methanone, cyclohexylphenyl-|NSC 818|Phenyl cyclohexyl ketone|UNII-0NU53987V8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048182
ARPathway2016 ARPathway2016_1210 Cyclopamine 4449-51-8 DTXSID6043709 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12NC[C@@H](C)C[C@H]1O[C@]1(CC[C@]3([H])C(C[C@H]4[C@@]3([H])CC=C3C[C@@H](O)CC[C@]43C)=C1C)[C@@H]2C Cyclopamine 4449-51-8|Cyclopamine|(-)-Cyclopamine|(2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-Octadecahydro-3',6',10,11b-tetramethylspiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol|11-Deoxojervine|11-Deoxyjervine|Jervine, 11-deoxo-|Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-|UNII-ZH658AJ192|Veratraman-3-ol, 17,23-epoxy-, (3beta,23beta)-|11051-96-0|26108-61-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043709
ARPathway2016 ARPathway2016_1210 Cyclopamine 4449-51-8 DTXSID6043709 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12NC[C@@H](C)C[C@H]1O[C@]1(CC[C@]3([H])C(C[C@H]4[C@@]3([H])CC=C3C[C@@H](O)CC[C@]43C)=C1C)[C@@H]2C Cyclopamine 4449-51-8|Cyclopamine|(-)-Cyclopamine|(2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-Octadecahydro-3',6',10,11b-tetramethylspiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol|11-Deoxojervine|11-Deoxyjervine|Jervine, 11-deoxo-|Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-|UNII-ZH658AJ192|Veratraman-3-ol, 17,23-epoxy-, (3beta,23beta)-|11051-96-0|26108-61-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043709
ARPathway2016 ARPathway2016_1210 Cyclopamine 4449-51-8 DTXSID6043709 0.0 AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12NC[C@@H](C)C[C@H]1O[C@]1(CC[C@]3([H])C(C[C@H]4[C@@]3([H])CC=C3C[C@@H](O)CC[C@]43C)=C1C)[C@@H]2C Cyclopamine 4449-51-8|Cyclopamine|(-)-Cyclopamine|(2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-Octadecahydro-3',6',10,11b-tetramethylspiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol|11-Deoxojervine|11-Deoxyjervine|Jervine, 11-deoxo-|Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-|UNII-ZH658AJ192|Veratraman-3-ol, 17,23-epoxy-, (3beta,23beta)-|11051-96-0|26108-61-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043709
ARPathway2016 ARPathway2016_1210 Cyclopamine 4449-51-8 DTXSID6043709 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12NC[C@@H](C)C[C@H]1O[C@]1(CC[C@]3([H])C(C[C@H]4[C@@]3([H])CC=C3C[C@@H](O)CC[C@]43C)=C1C)[C@@H]2C Cyclopamine 4449-51-8|Cyclopamine|(-)-Cyclopamine|(2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-Octadecahydro-3',6',10,11b-tetramethylspiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol|11-Deoxojervine|11-Deoxyjervine|Jervine, 11-deoxo-|Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-|UNII-ZH658AJ192|Veratraman-3-ol, 17,23-epoxy-, (3beta,23beta)-|11051-96-0|26108-61-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043709
ERPathway2016 ERPathway2016_1012 Cyclopamine 4449-51-8 DTXSID6043709 ER Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12NC[C@@H](C)C[C@H]1O[C@]1(CC[C@]3([H])C(C[C@H]4[C@@]3([H])CC=C3C[C@@H](O)CC[C@]43C)=C1C)[C@@H]2C Cyclopamine 4449-51-8|Cyclopamine|(-)-Cyclopamine|(2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-Octadecahydro-3',6',10,11b-tetramethylspiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol|11-Deoxojervine|11-Deoxyjervine|Jervine, 11-deoxo-|Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-|UNII-ZH658AJ192|Veratraman-3-ol, 17,23-epoxy-, (3beta,23beta)-|11051-96-0|26108-61-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043709
ERPathway2016 ERPathway2016_1012 Cyclopamine 4449-51-8 DTXSID6043709 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12NC[C@@H](C)C[C@H]1O[C@]1(CC[C@]3([H])C(C[C@H]4[C@@]3([H])CC=C3C[C@@H](O)CC[C@]43C)=C1C)[C@@H]2C Cyclopamine 4449-51-8|Cyclopamine|(-)-Cyclopamine|(2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-Octadecahydro-3',6',10,11b-tetramethylspiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol|11-Deoxojervine|11-Deoxyjervine|Jervine, 11-deoxo-|Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-|UNII-ZH658AJ192|Veratraman-3-ol, 17,23-epoxy-, (3beta,23beta)-|11051-96-0|26108-61-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043709
ERPathway2016 ERPathway2016_1012 Cyclopamine 4449-51-8 DTXSID6043709 ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12NC[C@@H](C)C[C@H]1O[C@]1(CC[C@]3([H])C(C[C@H]4[C@@]3([H])CC=C3C[C@@H](O)CC[C@]43C)=C1C)[C@@H]2C Cyclopamine 4449-51-8|Cyclopamine|(-)-Cyclopamine|(2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-Octadecahydro-3',6',10,11b-tetramethylspiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol|11-Deoxojervine|11-Deoxyjervine|Jervine, 11-deoxo-|Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-|UNII-ZH658AJ192|Veratraman-3-ol, 17,23-epoxy-, (3beta,23beta)-|11051-96-0|26108-61-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043709
ERPathway2016 ERPathway2016_1012 Cyclopamine 4449-51-8 DTXSID6043709 ER Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12NC[C@@H](C)C[C@H]1O[C@]1(CC[C@]3([H])C(C[C@H]4[C@@]3([H])CC=C3C[C@@H](O)CC[C@]43C)=C1C)[C@@H]2C Cyclopamine 4449-51-8|Cyclopamine|(-)-Cyclopamine|(2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-Octadecahydro-3',6',10,11b-tetramethylspiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol|11-Deoxojervine|11-Deoxyjervine|Jervine, 11-deoxo-|Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-|UNII-ZH658AJ192|Veratraman-3-ol, 17,23-epoxy-, (3beta,23beta)-|11051-96-0|26108-61-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6043709
ARPathway2016 ARPathway2016_1782 Cyclopentanol 96-41-3 DTXSID1033371 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1CCCC1 Cyclopentanol 96-41-3|Cyclopentanol|1-Cyclopentanol|ciclopentanol|Cyclopentyl alcohol|EINECS 202-504-8|Hydroxycyclopentane|NSC 49117|UN 2244|UNII-1L43Q07TBU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033371
ARPathway2016 ARPathway2016_1782 Cyclopentanol 96-41-3 DTXSID1033371 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1CCCC1 Cyclopentanol 96-41-3|Cyclopentanol|1-Cyclopentanol|ciclopentanol|Cyclopentyl alcohol|EINECS 202-504-8|Hydroxycyclopentane|NSC 49117|UN 2244|UNII-1L43Q07TBU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033371
ARPathway2016 ARPathway2016_1782 Cyclopentanol 96-41-3 DTXSID1033371 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1CCCC1 Cyclopentanol 96-41-3|Cyclopentanol|1-Cyclopentanol|ciclopentanol|Cyclopentyl alcohol|EINECS 202-504-8|Hydroxycyclopentane|NSC 49117|UN 2244|UNII-1L43Q07TBU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033371
ARPathway2016 ARPathway2016_1782 Cyclopentanol 96-41-3 DTXSID1033371 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1CCCC1 Cyclopentanol 96-41-3|Cyclopentanol|1-Cyclopentanol|ciclopentanol|Cyclopentyl alcohol|EINECS 202-504-8|Hydroxycyclopentane|NSC 49117|UN 2244|UNII-1L43Q07TBU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033371
ERPathway2016 ERPathway2016_1780 Cyclopentanol 96-41-3 DTXSID1033371 ER Pathway Model, Agonist Model Score 0 Unitless OC1CCCC1 Cyclopentanol 96-41-3|Cyclopentanol|1-Cyclopentanol|ciclopentanol|Cyclopentyl alcohol|EINECS 202-504-8|Hydroxycyclopentane|NSC 49117|UN 2244|UNII-1L43Q07TBU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033371
ERPathway2016 ERPathway2016_1780 Cyclopentanol 96-41-3 DTXSID1033371 ER Pathway Model, Antagonist Model Score 0 Unitless OC1CCCC1 Cyclopentanol 96-41-3|Cyclopentanol|1-Cyclopentanol|ciclopentanol|Cyclopentyl alcohol|EINECS 202-504-8|Hydroxycyclopentane|NSC 49117|UN 2244|UNII-1L43Q07TBU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033371
ERPathway2016 ERPathway2016_1780 Cyclopentanol 96-41-3 DTXSID1033371 ER Pathway Model, Agonist Call Inactive Unitless OC1CCCC1 Cyclopentanol 96-41-3|Cyclopentanol|1-Cyclopentanol|ciclopentanol|Cyclopentyl alcohol|EINECS 202-504-8|Hydroxycyclopentane|NSC 49117|UN 2244|UNII-1L43Q07TBU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033371
ERPathway2016 ERPathway2016_1780 Cyclopentanol 96-41-3 DTXSID1033371 ER Pathway Model, Antagonist Call Inactive Unitless OC1CCCC1 Cyclopentanol 96-41-3|Cyclopentanol|1-Cyclopentanol|ciclopentanol|Cyclopentyl alcohol|EINECS 202-504-8|Hydroxycyclopentane|NSC 49117|UN 2244|UNII-1L43Q07TBU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1033371
ARPathway2016 ARPathway2016_680 Cyclopentanone 120-92-3 DTXSID3029154 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C1CCCC1 Cyclopentanone 120-92-3|Cyclopentanone|Adipic ketone|Adipin keton|Adipinketon|ciclopentanona|Cyclopentanon|Dumasin|EINECS 204-435-9|Ketocyclopentane|Ketopentamethylene|NSC 4122|oxocyclopentane|UN 2245|UNII-220W81TN3S https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029154
ARPathway2016 ARPathway2016_680 Cyclopentanone 120-92-3 DTXSID3029154 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C1CCCC1 Cyclopentanone 120-92-3|Cyclopentanone|Adipic ketone|Adipin keton|Adipinketon|ciclopentanona|Cyclopentanon|Dumasin|EINECS 204-435-9|Ketocyclopentane|Ketopentamethylene|NSC 4122|oxocyclopentane|UN 2245|UNII-220W81TN3S https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029154
ARPathway2016 ARPathway2016_680 Cyclopentanone 120-92-3 DTXSID3029154 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C1CCCC1 Cyclopentanone 120-92-3|Cyclopentanone|Adipic ketone|Adipin keton|Adipinketon|ciclopentanona|Cyclopentanon|Dumasin|EINECS 204-435-9|Ketocyclopentane|Ketopentamethylene|NSC 4122|oxocyclopentane|UN 2245|UNII-220W81TN3S https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029154
ARPathway2016 ARPathway2016_680 Cyclopentanone 120-92-3 DTXSID3029154 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C1CCCC1 Cyclopentanone 120-92-3|Cyclopentanone|Adipic ketone|Adipin keton|Adipinketon|ciclopentanona|Cyclopentanon|Dumasin|EINECS 204-435-9|Ketocyclopentane|Ketopentamethylene|NSC 4122|oxocyclopentane|UN 2245|UNII-220W81TN3S https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029154
ERPathway2016 ERPathway2016_719 Cyclopentanone 120-92-3 DTXSID3029154 ER Pathway Model, Agonist Model Score 0 Unitless O=C1CCCC1 Cyclopentanone 120-92-3|Cyclopentanone|Adipic ketone|Adipin keton|Adipinketon|ciclopentanona|Cyclopentanon|Dumasin|EINECS 204-435-9|Ketocyclopentane|Ketopentamethylene|NSC 4122|oxocyclopentane|UN 2245|UNII-220W81TN3S https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029154
ERPathway2016 ERPathway2016_719 Cyclopentanone 120-92-3 DTXSID3029154 ER Pathway Model, Antagonist Model Score 0 Unitless O=C1CCCC1 Cyclopentanone 120-92-3|Cyclopentanone|Adipic ketone|Adipin keton|Adipinketon|ciclopentanona|Cyclopentanon|Dumasin|EINECS 204-435-9|Ketocyclopentane|Ketopentamethylene|NSC 4122|oxocyclopentane|UN 2245|UNII-220W81TN3S https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029154
ERPathway2016 ERPathway2016_719 Cyclopentanone 120-92-3 DTXSID3029154 ER Pathway Model, Agonist Call Inactive Unitless O=C1CCCC1 Cyclopentanone 120-92-3|Cyclopentanone|Adipic ketone|Adipin keton|Adipinketon|ciclopentanona|Cyclopentanon|Dumasin|EINECS 204-435-9|Ketocyclopentane|Ketopentamethylene|NSC 4122|oxocyclopentane|UN 2245|UNII-220W81TN3S https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029154
ERPathway2016 ERPathway2016_719 Cyclopentanone 120-92-3 DTXSID3029154 ER Pathway Model, Antagonist Call Inactive Unitless O=C1CCCC1 Cyclopentanone 120-92-3|Cyclopentanone|Adipic ketone|Adipin keton|Adipinketon|ciclopentanona|Cyclopentanon|Dumasin|EINECS 204-435-9|Ketocyclopentane|Ketopentamethylene|NSC 4122|oxocyclopentane|UN 2245|UNII-220W81TN3S https://comptox.epa.gov/dashboard/chemical/details/DTXSID3029154
ARPathway2016 ARPathway2016_1393 Cyclophosphamide monohydrate 6055-19-2 DTXSID6024888 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O.ClCCN(CCCl)P1(=O)NCCCO1 Cyclophosphamide monohydrate 6055-19-2|Cyclophosphamide monohydrate|(+/-)-2-(Bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide monohydrate|(Bis(chloro-2-ethyl)amino)-2-tetrahydro-3,4,5,6-oxazaphosphorine-1,3,2-oxide-2 monohydrate|1-Bis(2-chloroethyl)amino-1-oxo-2-aza-5-oxaphosphoridine monohydrate|2-(Bis(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphocyclohexane 2-oxide monohydrate|2-(Di(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphacyclohexane-2-oxide monohydrate|2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide monohydrate|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, hydrate (1:1)|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-, 2-oxide, monohydrate|Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester monohydrate|Cyclic N',O-propylene ester of N,N-bis(2-chloroethyl)phosphorodiamidic acid monohydrate|Cyclophosph https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024888 https://doi.org/10.22427/NTP-DATA-DTXSID6024888
ARPathway2016 ARPathway2016_1393 Cyclophosphamide monohydrate 6055-19-2 DTXSID6024888 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O.ClCCN(CCCl)P1(=O)NCCCO1 Cyclophosphamide monohydrate 6055-19-2|Cyclophosphamide monohydrate|(+/-)-2-(Bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide monohydrate|(Bis(chloro-2-ethyl)amino)-2-tetrahydro-3,4,5,6-oxazaphosphorine-1,3,2-oxide-2 monohydrate|1-Bis(2-chloroethyl)amino-1-oxo-2-aza-5-oxaphosphoridine monohydrate|2-(Bis(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphocyclohexane 2-oxide monohydrate|2-(Di(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphacyclohexane-2-oxide monohydrate|2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide monohydrate|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, hydrate (1:1)|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-, 2-oxide, monohydrate|Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester monohydrate|Cyclic N',O-propylene ester of N,N-bis(2-chloroethyl)phosphorodiamidic acid monohydrate|Cyclophosph https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024888 https://doi.org/10.22427/NTP-DATA-DTXSID6024888
ARPathway2016 ARPathway2016_1393 Cyclophosphamide monohydrate 6055-19-2 DTXSID6024888 0.0 AR Pathway Model, Agonist Call Inactive Unitless O.ClCCN(CCCl)P1(=O)NCCCO1 Cyclophosphamide monohydrate 6055-19-2|Cyclophosphamide monohydrate|(+/-)-2-(Bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide monohydrate|(Bis(chloro-2-ethyl)amino)-2-tetrahydro-3,4,5,6-oxazaphosphorine-1,3,2-oxide-2 monohydrate|1-Bis(2-chloroethyl)amino-1-oxo-2-aza-5-oxaphosphoridine monohydrate|2-(Bis(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphocyclohexane 2-oxide monohydrate|2-(Di(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphacyclohexane-2-oxide monohydrate|2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide monohydrate|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, hydrate (1:1)|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-, 2-oxide, monohydrate|Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester monohydrate|Cyclic N',O-propylene ester of N,N-bis(2-chloroethyl)phosphorodiamidic acid monohydrate|Cyclophosph https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024888 https://doi.org/10.22427/NTP-DATA-DTXSID6024888
ARPathway2016 ARPathway2016_1393 Cyclophosphamide monohydrate 6055-19-2 DTXSID6024888 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O.ClCCN(CCCl)P1(=O)NCCCO1 Cyclophosphamide monohydrate 6055-19-2|Cyclophosphamide monohydrate|(+/-)-2-(Bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide monohydrate|(Bis(chloro-2-ethyl)amino)-2-tetrahydro-3,4,5,6-oxazaphosphorine-1,3,2-oxide-2 monohydrate|1-Bis(2-chloroethyl)amino-1-oxo-2-aza-5-oxaphosphoridine monohydrate|2-(Bis(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphocyclohexane 2-oxide monohydrate|2-(Di(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphacyclohexane-2-oxide monohydrate|2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide monohydrate|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, hydrate (1:1)|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-, 2-oxide, monohydrate|Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester monohydrate|Cyclic N',O-propylene ester of N,N-bis(2-chloroethyl)phosphorodiamidic acid monohydrate|Cyclophosph https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024888 https://doi.org/10.22427/NTP-DATA-DTXSID6024888
ERPathway2016 ERPathway2016_224 Cyclophosphamide monohydrate 6055-19-2 DTXSID6024888 Agonist ER Pathway Model, Antagonist AC50 13.2156871025399 uM O.ClCCN(CCCl)P1(=O)NCCCO1 Cyclophosphamide monohydrate 6055-19-2|Cyclophosphamide monohydrate|(+/-)-2-(Bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide monohydrate|(Bis(chloro-2-ethyl)amino)-2-tetrahydro-3,4,5,6-oxazaphosphorine-1,3,2-oxide-2 monohydrate|1-Bis(2-chloroethyl)amino-1-oxo-2-aza-5-oxaphosphoridine monohydrate|2-(Bis(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphocyclohexane 2-oxide monohydrate|2-(Di(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphacyclohexane-2-oxide monohydrate|2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide monohydrate|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, hydrate (1:1)|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-, 2-oxide, monohydrate|Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester monohydrate|Cyclic N',O-propylene ester of N,N-bis(2-chloroethyl)phosphorodiamidic acid monohydrate|Cyclophosph https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024888 https://doi.org/10.22427/NTP-DATA-DTXSID6024888
ERPathway2016 ERPathway2016_224 Cyclophosphamide monohydrate 6055-19-2 DTXSID6024888 Agonist ER Pathway Model, Antagonist ACC 4.686669422446 uM O.ClCCN(CCCl)P1(=O)NCCCO1 Cyclophosphamide monohydrate 6055-19-2|Cyclophosphamide monohydrate|(+/-)-2-(Bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide monohydrate|(Bis(chloro-2-ethyl)amino)-2-tetrahydro-3,4,5,6-oxazaphosphorine-1,3,2-oxide-2 monohydrate|1-Bis(2-chloroethyl)amino-1-oxo-2-aza-5-oxaphosphoridine monohydrate|2-(Bis(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphocyclohexane 2-oxide monohydrate|2-(Di(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphacyclohexane-2-oxide monohydrate|2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide monohydrate|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, hydrate (1:1)|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-, 2-oxide, monohydrate|Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester monohydrate|Cyclic N',O-propylene ester of N,N-bis(2-chloroethyl)phosphorodiamidic acid monohydrate|Cyclophosph https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024888 https://doi.org/10.22427/NTP-DATA-DTXSID6024888
ERPathway2016 ERPathway2016_224 Cyclophosphamide monohydrate 6055-19-2 DTXSID6024888 Agonist ER Pathway Model, Agonist Model Score 0.135 Unitless O.ClCCN(CCCl)P1(=O)NCCCO1 Cyclophosphamide monohydrate 6055-19-2|Cyclophosphamide monohydrate|(+/-)-2-(Bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide monohydrate|(Bis(chloro-2-ethyl)amino)-2-tetrahydro-3,4,5,6-oxazaphosphorine-1,3,2-oxide-2 monohydrate|1-Bis(2-chloroethyl)amino-1-oxo-2-aza-5-oxaphosphoridine monohydrate|2-(Bis(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphocyclohexane 2-oxide monohydrate|2-(Di(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphacyclohexane-2-oxide monohydrate|2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide monohydrate|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, hydrate (1:1)|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-, 2-oxide, monohydrate|Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester monohydrate|Cyclic N',O-propylene ester of N,N-bis(2-chloroethyl)phosphorodiamidic acid monohydrate|Cyclophosph https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024888 https://doi.org/10.22427/NTP-DATA-DTXSID6024888
ERPathway2016 ERPathway2016_224 Cyclophosphamide monohydrate 6055-19-2 DTXSID6024888 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless O.ClCCN(CCCl)P1(=O)NCCCO1 Cyclophosphamide monohydrate 6055-19-2|Cyclophosphamide monohydrate|(+/-)-2-(Bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide monohydrate|(Bis(chloro-2-ethyl)amino)-2-tetrahydro-3,4,5,6-oxazaphosphorine-1,3,2-oxide-2 monohydrate|1-Bis(2-chloroethyl)amino-1-oxo-2-aza-5-oxaphosphoridine monohydrate|2-(Bis(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphocyclohexane 2-oxide monohydrate|2-(Di(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphacyclohexane-2-oxide monohydrate|2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide monohydrate|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, hydrate (1:1)|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-, 2-oxide, monohydrate|Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester monohydrate|Cyclic N',O-propylene ester of N,N-bis(2-chloroethyl)phosphorodiamidic acid monohydrate|Cyclophosph https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024888 https://doi.org/10.22427/NTP-DATA-DTXSID6024888
ERPathway2016 ERPathway2016_224 Cyclophosphamide monohydrate 6055-19-2 DTXSID6024888 Agonist ER Pathway Model, Agonist Call Inactive Unitless O.ClCCN(CCCl)P1(=O)NCCCO1 Cyclophosphamide monohydrate 6055-19-2|Cyclophosphamide monohydrate|(+/-)-2-(Bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide monohydrate|(Bis(chloro-2-ethyl)amino)-2-tetrahydro-3,4,5,6-oxazaphosphorine-1,3,2-oxide-2 monohydrate|1-Bis(2-chloroethyl)amino-1-oxo-2-aza-5-oxaphosphoridine monohydrate|2-(Bis(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphocyclohexane 2-oxide monohydrate|2-(Di(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphacyclohexane-2-oxide monohydrate|2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide monohydrate|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, hydrate (1:1)|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-, 2-oxide, monohydrate|Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester monohydrate|Cyclic N',O-propylene ester of N,N-bis(2-chloroethyl)phosphorodiamidic acid monohydrate|Cyclophosph https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024888 https://doi.org/10.22427/NTP-DATA-DTXSID6024888
ERPathway2016 ERPathway2016_224 Cyclophosphamide monohydrate 6055-19-2 DTXSID6024888 Agonist ER Pathway Model, Antagonist Call Active Unitless O.ClCCN(CCCl)P1(=O)NCCCO1 Cyclophosphamide monohydrate 6055-19-2|Cyclophosphamide monohydrate|(+/-)-2-(Bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide monohydrate|(Bis(chloro-2-ethyl)amino)-2-tetrahydro-3,4,5,6-oxazaphosphorine-1,3,2-oxide-2 monohydrate|1-Bis(2-chloroethyl)amino-1-oxo-2-aza-5-oxaphosphoridine monohydrate|2-(Bis(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphocyclohexane 2-oxide monohydrate|2-(Di(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphacyclohexane-2-oxide monohydrate|2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide monohydrate|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, hydrate (1:1)|2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide, monohydrate|2H-1,3,2-Oxazaphosphorine, tetrahydro-2-(bis(2-chloroethyl)amino)-, 2-oxide, monohydrate|Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester monohydrate|Cyclic N',O-propylene ester of N,N-bis(2-chloroethyl)phosphorodiamidic acid monohydrate|Cyclophosph https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024888 https://doi.org/10.22427/NTP-DATA-DTXSID6024888
ARPathway2016 ARPathway2016_1482 Cyfluthrin 68359-37-5 DTXSID5035957 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=C(F)C(OC2=CC=CC=C2)=C1 Cyfluthrin 68359-37-5|Cyfluthrin|(R,S)-alpha-Cyano-4-fluoro-3-phenoxybenzyl-(1R,S)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-alpha-Cyano-4-fluoro-3-phenoxybenzyl (1RS,3RS:1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|269-855-7|3-(2,2-Dichloroethenyl)-2,2-diethylcyclopropanecarboxylic acid cyano(4-fluoro-3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-4-fluoro-3-phenoxybenzyle|3-(2,2-diclorovinil)-2,2-dimetilciclopropanocarboxilato de a-ciano-3-fenoxi-4-fluorobencilo|BAY FCR 1272|BAY-FCR 1272|BAY-VI 1704|BAY-Vl 1704|Baythroid|Baythroid H|Baythroid TM|Baythroid XL|BRN 2788149|Bulldock|Bulldock 125SC|Caswell No. 266E|CYANO(4-FLUORO-3-PHENOXYPHENYL)METHYL 3-(2,2- DICHLOROETHENYL)-2,2-DIMETHYLCYCLOPROPANECARBOXylic acid|Cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylate|Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(4-fluoro-3-phenoxyphenyl)methyl ester|Cyfluthine|Cyflut|80850-08-4|83855-46-3|85782-82-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035957 https://doi.org/10.22427/NTP-DATA-DTXSID5035957
ARPathway2016 ARPathway2016_1482 Cyfluthrin 68359-37-5 DTXSID5035957 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=C(F)C(OC2=CC=CC=C2)=C1 Cyfluthrin 68359-37-5|Cyfluthrin|(R,S)-alpha-Cyano-4-fluoro-3-phenoxybenzyl-(1R,S)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-alpha-Cyano-4-fluoro-3-phenoxybenzyl (1RS,3RS:1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|269-855-7|3-(2,2-Dichloroethenyl)-2,2-diethylcyclopropanecarboxylic acid cyano(4-fluoro-3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-4-fluoro-3-phenoxybenzyle|3-(2,2-diclorovinil)-2,2-dimetilciclopropanocarboxilato de a-ciano-3-fenoxi-4-fluorobencilo|BAY FCR 1272|BAY-FCR 1272|BAY-VI 1704|BAY-Vl 1704|Baythroid|Baythroid H|Baythroid TM|Baythroid XL|BRN 2788149|Bulldock|Bulldock 125SC|Caswell No. 266E|CYANO(4-FLUORO-3-PHENOXYPHENYL)METHYL 3-(2,2- DICHLOROETHENYL)-2,2-DIMETHYLCYCLOPROPANECARBOXylic acid|Cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylate|Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(4-fluoro-3-phenoxyphenyl)methyl ester|Cyfluthine|Cyflut|80850-08-4|83855-46-3|85782-82-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035957 https://doi.org/10.22427/NTP-DATA-DTXSID5035957
ARPathway2016 ARPathway2016_1482 Cyfluthrin 68359-37-5 DTXSID5035957 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=C(F)C(OC2=CC=CC=C2)=C1 Cyfluthrin 68359-37-5|Cyfluthrin|(R,S)-alpha-Cyano-4-fluoro-3-phenoxybenzyl-(1R,S)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-alpha-Cyano-4-fluoro-3-phenoxybenzyl (1RS,3RS:1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|269-855-7|3-(2,2-Dichloroethenyl)-2,2-diethylcyclopropanecarboxylic acid cyano(4-fluoro-3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-4-fluoro-3-phenoxybenzyle|3-(2,2-diclorovinil)-2,2-dimetilciclopropanocarboxilato de a-ciano-3-fenoxi-4-fluorobencilo|BAY FCR 1272|BAY-FCR 1272|BAY-VI 1704|BAY-Vl 1704|Baythroid|Baythroid H|Baythroid TM|Baythroid XL|BRN 2788149|Bulldock|Bulldock 125SC|Caswell No. 266E|CYANO(4-FLUORO-3-PHENOXYPHENYL)METHYL 3-(2,2- DICHLOROETHENYL)-2,2-DIMETHYLCYCLOPROPANECARBOXylic acid|Cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylate|Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(4-fluoro-3-phenoxyphenyl)methyl ester|Cyfluthine|Cyflut|80850-08-4|83855-46-3|85782-82-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035957 https://doi.org/10.22427/NTP-DATA-DTXSID5035957
ARPathway2016 ARPathway2016_1482 Cyfluthrin 68359-37-5 DTXSID5035957 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=C(F)C(OC2=CC=CC=C2)=C1 Cyfluthrin 68359-37-5|Cyfluthrin|(R,S)-alpha-Cyano-4-fluoro-3-phenoxybenzyl-(1R,S)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-alpha-Cyano-4-fluoro-3-phenoxybenzyl (1RS,3RS:1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|269-855-7|3-(2,2-Dichloroethenyl)-2,2-diethylcyclopropanecarboxylic acid cyano(4-fluoro-3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-4-fluoro-3-phenoxybenzyle|3-(2,2-diclorovinil)-2,2-dimetilciclopropanocarboxilato de a-ciano-3-fenoxi-4-fluorobencilo|BAY FCR 1272|BAY-FCR 1272|BAY-VI 1704|BAY-Vl 1704|Baythroid|Baythroid H|Baythroid TM|Baythroid XL|BRN 2788149|Bulldock|Bulldock 125SC|Caswell No. 266E|CYANO(4-FLUORO-3-PHENOXYPHENYL)METHYL 3-(2,2- DICHLOROETHENYL)-2,2-DIMETHYLCYCLOPROPANECARBOXylic acid|Cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylate|Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(4-fluoro-3-phenoxyphenyl)methyl ester|Cyfluthine|Cyflut|80850-08-4|83855-46-3|85782-82-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035957 https://doi.org/10.22427/NTP-DATA-DTXSID5035957
ERPathway2016 ERPathway2016_1610 Cyfluthrin 68359-37-5 DTXSID5035957 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=C(F)C(OC2=CC=CC=C2)=C1 Cyfluthrin 68359-37-5|Cyfluthrin|(R,S)-alpha-Cyano-4-fluoro-3-phenoxybenzyl-(1R,S)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-alpha-Cyano-4-fluoro-3-phenoxybenzyl (1RS,3RS:1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|269-855-7|3-(2,2-Dichloroethenyl)-2,2-diethylcyclopropanecarboxylic acid cyano(4-fluoro-3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-4-fluoro-3-phenoxybenzyle|3-(2,2-diclorovinil)-2,2-dimetilciclopropanocarboxilato de a-ciano-3-fenoxi-4-fluorobencilo|BAY FCR 1272|BAY-FCR 1272|BAY-VI 1704|BAY-Vl 1704|Baythroid|Baythroid H|Baythroid TM|Baythroid XL|BRN 2788149|Bulldock|Bulldock 125SC|Caswell No. 266E|CYANO(4-FLUORO-3-PHENOXYPHENYL)METHYL 3-(2,2- DICHLOROETHENYL)-2,2-DIMETHYLCYCLOPROPANECARBOXylic acid|Cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylate|Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(4-fluoro-3-phenoxyphenyl)methyl ester|Cyfluthine|Cyflut|80850-08-4|83855-46-3|85782-82-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035957 https://doi.org/10.22427/NTP-DATA-DTXSID5035957
ERPathway2016 ERPathway2016_1610 Cyfluthrin 68359-37-5 DTXSID5035957 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=C(F)C(OC2=CC=CC=C2)=C1 Cyfluthrin 68359-37-5|Cyfluthrin|(R,S)-alpha-Cyano-4-fluoro-3-phenoxybenzyl-(1R,S)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-alpha-Cyano-4-fluoro-3-phenoxybenzyl (1RS,3RS:1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|269-855-7|3-(2,2-Dichloroethenyl)-2,2-diethylcyclopropanecarboxylic acid cyano(4-fluoro-3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-4-fluoro-3-phenoxybenzyle|3-(2,2-diclorovinil)-2,2-dimetilciclopropanocarboxilato de a-ciano-3-fenoxi-4-fluorobencilo|BAY FCR 1272|BAY-FCR 1272|BAY-VI 1704|BAY-Vl 1704|Baythroid|Baythroid H|Baythroid TM|Baythroid XL|BRN 2788149|Bulldock|Bulldock 125SC|Caswell No. 266E|CYANO(4-FLUORO-3-PHENOXYPHENYL)METHYL 3-(2,2- DICHLOROETHENYL)-2,2-DIMETHYLCYCLOPROPANECARBOXylic acid|Cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylate|Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(4-fluoro-3-phenoxyphenyl)methyl ester|Cyfluthine|Cyflut|80850-08-4|83855-46-3|85782-82-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035957 https://doi.org/10.22427/NTP-DATA-DTXSID5035957
ERPathway2016 ERPathway2016_1610 Cyfluthrin 68359-37-5 DTXSID5035957 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=C(F)C(OC2=CC=CC=C2)=C1 Cyfluthrin 68359-37-5|Cyfluthrin|(R,S)-alpha-Cyano-4-fluoro-3-phenoxybenzyl-(1R,S)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-alpha-Cyano-4-fluoro-3-phenoxybenzyl (1RS,3RS:1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|269-855-7|3-(2,2-Dichloroethenyl)-2,2-diethylcyclopropanecarboxylic acid cyano(4-fluoro-3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-4-fluoro-3-phenoxybenzyle|3-(2,2-diclorovinil)-2,2-dimetilciclopropanocarboxilato de a-ciano-3-fenoxi-4-fluorobencilo|BAY FCR 1272|BAY-FCR 1272|BAY-VI 1704|BAY-Vl 1704|Baythroid|Baythroid H|Baythroid TM|Baythroid XL|BRN 2788149|Bulldock|Bulldock 125SC|Caswell No. 266E|CYANO(4-FLUORO-3-PHENOXYPHENYL)METHYL 3-(2,2- DICHLOROETHENYL)-2,2-DIMETHYLCYCLOPROPANECARBOXylic acid|Cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylate|Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(4-fluoro-3-phenoxyphenyl)methyl ester|Cyfluthine|Cyflut|80850-08-4|83855-46-3|85782-82-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035957 https://doi.org/10.22427/NTP-DATA-DTXSID5035957
ERPathway2016 ERPathway2016_1610 Cyfluthrin 68359-37-5 DTXSID5035957 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=C(F)C(OC2=CC=CC=C2)=C1 Cyfluthrin 68359-37-5|Cyfluthrin|(R,S)-alpha-Cyano-4-fluoro-3-phenoxybenzyl-(1R,S)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-alpha-Cyano-4-fluoro-3-phenoxybenzyl (1RS,3RS:1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|269-855-7|3-(2,2-Dichloroethenyl)-2,2-diethylcyclopropanecarboxylic acid cyano(4-fluoro-3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-4-fluoro-3-phenoxybenzyle|3-(2,2-diclorovinil)-2,2-dimetilciclopropanocarboxilato de a-ciano-3-fenoxi-4-fluorobencilo|BAY FCR 1272|BAY-FCR 1272|BAY-VI 1704|BAY-Vl 1704|Baythroid|Baythroid H|Baythroid TM|Baythroid XL|BRN 2788149|Bulldock|Bulldock 125SC|Caswell No. 266E|CYANO(4-FLUORO-3-PHENOXYPHENYL)METHYL 3-(2,2- DICHLOROETHENYL)-2,2-DIMETHYLCYCLOPROPANECARBOXylic acid|Cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylate|Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(4-fluoro-3-phenoxyphenyl)methyl ester|Cyfluthine|Cyflut|80850-08-4|83855-46-3|85782-82-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035957 https://doi.org/10.22427/NTP-DATA-DTXSID5035957
ARPathway2016 ARPathway2016_39 Cyhalofop-butyl 122008-85-9 DTXSID1034503 2.0 Antagonist AR Pathway Model, Agonist AC50 2.223850953 uM CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=C(F)C=C(C=C2)C#N)C=C1 Cyhalofop-butyl 122008-85-9|Cyhalofop-butyl|butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate|Butyl-(R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propionate|Clincher|Clincher CA|EC No.: 601-817-0|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (R)-|UNII-18HGV9OC6G|XDE 537 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034503
ARPathway2016 ARPathway2016_39 Cyhalofop-butyl 122008-85-9 DTXSID1034503 2.0 Antagonist AR Pathway Model, Agonist ACC 2.803096724 uM CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=C(F)C=C(C=C2)C#N)C=C1 Cyhalofop-butyl 122008-85-9|Cyhalofop-butyl|butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate|Butyl-(R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propionate|Clincher|Clincher CA|EC No.: 601-817-0|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (R)-|UNII-18HGV9OC6G|XDE 537 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034503
ARPathway2016 ARPathway2016_39 Cyhalofop-butyl 122008-85-9 DTXSID1034503 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0647 Unitless CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=C(F)C=C(C=C2)C#N)C=C1 Cyhalofop-butyl 122008-85-9|Cyhalofop-butyl|butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate|Butyl-(R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propionate|Clincher|Clincher CA|EC No.: 601-817-0|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (R)-|UNII-18HGV9OC6G|XDE 537 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034503
ARPathway2016 ARPathway2016_39 Cyhalofop-butyl 122008-85-9 DTXSID1034503 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=C(F)C=C(C=C2)C#N)C=C1 Cyhalofop-butyl 122008-85-9|Cyhalofop-butyl|butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate|Butyl-(R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propionate|Clincher|Clincher CA|EC No.: 601-817-0|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (R)-|UNII-18HGV9OC6G|XDE 537 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034503
ARPathway2016 ARPathway2016_39 Cyhalofop-butyl 122008-85-9 DTXSID1034503 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=C(F)C=C(C=C2)C#N)C=C1 Cyhalofop-butyl 122008-85-9|Cyhalofop-butyl|butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate|Butyl-(R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propionate|Clincher|Clincher CA|EC No.: 601-817-0|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (R)-|UNII-18HGV9OC6G|XDE 537 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034503
ARPathway2016 ARPathway2016_39 Cyhalofop-butyl 122008-85-9 DTXSID1034503 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=C(F)C=C(C=C2)C#N)C=C1 Cyhalofop-butyl 122008-85-9|Cyhalofop-butyl|butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate|Butyl-(R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propionate|Clincher|Clincher CA|EC No.: 601-817-0|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (R)-|UNII-18HGV9OC6G|XDE 537 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034503
ERPathway2016 ERPathway2016_1220 Cyhalofop-butyl 122008-85-9 DTXSID1034503 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=C(F)C=C(C=C2)C#N)C=C1 Cyhalofop-butyl 122008-85-9|Cyhalofop-butyl|butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate|Butyl-(R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propionate|Clincher|Clincher CA|EC No.: 601-817-0|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (R)-|UNII-18HGV9OC6G|XDE 537 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034503
ERPathway2016 ERPathway2016_1220 Cyhalofop-butyl 122008-85-9 DTXSID1034503 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=C(F)C=C(C=C2)C#N)C=C1 Cyhalofop-butyl 122008-85-9|Cyhalofop-butyl|butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate|Butyl-(R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propionate|Clincher|Clincher CA|EC No.: 601-817-0|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (R)-|UNII-18HGV9OC6G|XDE 537 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034503
ERPathway2016 ERPathway2016_1220 Cyhalofop-butyl 122008-85-9 DTXSID1034503 ER Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=C(F)C=C(C=C2)C#N)C=C1 Cyhalofop-butyl 122008-85-9|Cyhalofop-butyl|butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate|Butyl-(R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propionate|Clincher|Clincher CA|EC No.: 601-817-0|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (R)-|UNII-18HGV9OC6G|XDE 537 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034503
ERPathway2016 ERPathway2016_1220 Cyhalofop-butyl 122008-85-9 DTXSID1034503 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)[C@@H](C)OC1=CC=C(OC2=C(F)C=C(C=C2)C#N)C=C1 Cyhalofop-butyl 122008-85-9|Cyhalofop-butyl|butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate|Butyl-(R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propionate|Clincher|Clincher CA|EC No.: 601-817-0|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (2R)-|Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, (R)-|UNII-18HGV9OC6G|XDE 537 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034503
ARPathway2016 ARPathway2016_1351 Cymoxanil 57966-95-7 DTXSID6032358 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCNC(=O)NC(=O)C(=NOC)C#N Cymoxanil 57966-95-7|Cymoxanil|1-(2-Cyano-2-methoxyiminoacetyl)-3-ethylurea|2-Cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)acetamide|2-Cyano-N-ethylcarbamoyl-2-methoxyiminoacetamide|261-043-0|Acetamide, 2-cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)-|Casparytin|Curzate|DPX 3217|DPX 3217M|DPX-T3217|EC No.: 261-043-0|EINECS 261-043-0|Tosca MZ|UNII-QJO7SS7R8U|1135443-55-8|93195-85-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032358
ARPathway2016 ARPathway2016_1351 Cymoxanil 57966-95-7 DTXSID6032358 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCNC(=O)NC(=O)C(=NOC)C#N Cymoxanil 57966-95-7|Cymoxanil|1-(2-Cyano-2-methoxyiminoacetyl)-3-ethylurea|2-Cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)acetamide|2-Cyano-N-ethylcarbamoyl-2-methoxyiminoacetamide|261-043-0|Acetamide, 2-cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)-|Casparytin|Curzate|DPX 3217|DPX 3217M|DPX-T3217|EC No.: 261-043-0|EINECS 261-043-0|Tosca MZ|UNII-QJO7SS7R8U|1135443-55-8|93195-85-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032358
ARPathway2016 ARPathway2016_1351 Cymoxanil 57966-95-7 DTXSID6032358 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCNC(=O)NC(=O)C(=NOC)C#N Cymoxanil 57966-95-7|Cymoxanil|1-(2-Cyano-2-methoxyiminoacetyl)-3-ethylurea|2-Cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)acetamide|2-Cyano-N-ethylcarbamoyl-2-methoxyiminoacetamide|261-043-0|Acetamide, 2-cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)-|Casparytin|Curzate|DPX 3217|DPX 3217M|DPX-T3217|EC No.: 261-043-0|EINECS 261-043-0|Tosca MZ|UNII-QJO7SS7R8U|1135443-55-8|93195-85-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032358
ARPathway2016 ARPathway2016_1351 Cymoxanil 57966-95-7 DTXSID6032358 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCNC(=O)NC(=O)C(=NOC)C#N Cymoxanil 57966-95-7|Cymoxanil|1-(2-Cyano-2-methoxyiminoacetyl)-3-ethylurea|2-Cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)acetamide|2-Cyano-N-ethylcarbamoyl-2-methoxyiminoacetamide|261-043-0|Acetamide, 2-cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)-|Casparytin|Curzate|DPX 3217|DPX 3217M|DPX-T3217|EC No.: 261-043-0|EINECS 261-043-0|Tosca MZ|UNII-QJO7SS7R8U|1135443-55-8|93195-85-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032358
ERPathway2016 ERPathway2016_893 Cymoxanil 57966-95-7 DTXSID6032358 ER Pathway Model, Agonist Model Score 0 Unitless CCNC(=O)NC(=O)C(=NOC)C#N Cymoxanil 57966-95-7|Cymoxanil|1-(2-Cyano-2-methoxyiminoacetyl)-3-ethylurea|2-Cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)acetamide|2-Cyano-N-ethylcarbamoyl-2-methoxyiminoacetamide|261-043-0|Acetamide, 2-cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)-|Casparytin|Curzate|DPX 3217|DPX 3217M|DPX-T3217|EC No.: 261-043-0|EINECS 261-043-0|Tosca MZ|UNII-QJO7SS7R8U|1135443-55-8|93195-85-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032358
ERPathway2016 ERPathway2016_893 Cymoxanil 57966-95-7 DTXSID6032358 ER Pathway Model, Antagonist Model Score 0 Unitless CCNC(=O)NC(=O)C(=NOC)C#N Cymoxanil 57966-95-7|Cymoxanil|1-(2-Cyano-2-methoxyiminoacetyl)-3-ethylurea|2-Cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)acetamide|2-Cyano-N-ethylcarbamoyl-2-methoxyiminoacetamide|261-043-0|Acetamide, 2-cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)-|Casparytin|Curzate|DPX 3217|DPX 3217M|DPX-T3217|EC No.: 261-043-0|EINECS 261-043-0|Tosca MZ|UNII-QJO7SS7R8U|1135443-55-8|93195-85-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032358
ERPathway2016 ERPathway2016_893 Cymoxanil 57966-95-7 DTXSID6032358 ER Pathway Model, Agonist Call Inactive Unitless CCNC(=O)NC(=O)C(=NOC)C#N Cymoxanil 57966-95-7|Cymoxanil|1-(2-Cyano-2-methoxyiminoacetyl)-3-ethylurea|2-Cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)acetamide|2-Cyano-N-ethylcarbamoyl-2-methoxyiminoacetamide|261-043-0|Acetamide, 2-cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)-|Casparytin|Curzate|DPX 3217|DPX 3217M|DPX-T3217|EC No.: 261-043-0|EINECS 261-043-0|Tosca MZ|UNII-QJO7SS7R8U|1135443-55-8|93195-85-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032358
ERPathway2016 ERPathway2016_893 Cymoxanil 57966-95-7 DTXSID6032358 ER Pathway Model, Antagonist Call Inactive Unitless CCNC(=O)NC(=O)C(=NOC)C#N Cymoxanil 57966-95-7|Cymoxanil|1-(2-Cyano-2-methoxyiminoacetyl)-3-ethylurea|2-Cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)acetamide|2-Cyano-N-ethylcarbamoyl-2-methoxyiminoacetamide|261-043-0|Acetamide, 2-cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)-|Casparytin|Curzate|DPX 3217|DPX 3217M|DPX-T3217|EC No.: 261-043-0|EINECS 261-043-0|Tosca MZ|UNII-QJO7SS7R8U|1135443-55-8|93195-85-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032358
ARPathway2016 ARPathway2016_1273 Cypermethrin 52315-07-8 DTXSID1023998 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 Cypermethrin 52315-07-8|Cypermethrin|(+)-alpha-Cyano-3-phenoxybenzyl-(+)-cis,trans-2,2-dichlorovinyl-2,2-dimethylcyclopropanecarboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropane carboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl-(+-)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-a-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(S)-a-Cyano-3-phenoxybenzyl(1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-carboxylate|257-842-9|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)-, methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano (3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyl|137497-61-1|139203-31-9|142443-95-6|146909-55-9|159940-28-0|186554-45-0|69865-47-0|727730-89-4|86752-99-0|86753-92-6|88161-75-5|886997-17-7|97955-44-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023998
ARPathway2016 ARPathway2016_1273 Cypermethrin 52315-07-8 DTXSID1023998 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 Cypermethrin 52315-07-8|Cypermethrin|(+)-alpha-Cyano-3-phenoxybenzyl-(+)-cis,trans-2,2-dichlorovinyl-2,2-dimethylcyclopropanecarboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropane carboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl-(+-)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-a-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(S)-a-Cyano-3-phenoxybenzyl(1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-carboxylate|257-842-9|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)-, methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano (3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyl|137497-61-1|139203-31-9|142443-95-6|146909-55-9|159940-28-0|186554-45-0|69865-47-0|727730-89-4|86752-99-0|86753-92-6|88161-75-5|886997-17-7|97955-44-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023998
ARPathway2016 ARPathway2016_1273 Cypermethrin 52315-07-8 DTXSID1023998 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 Cypermethrin 52315-07-8|Cypermethrin|(+)-alpha-Cyano-3-phenoxybenzyl-(+)-cis,trans-2,2-dichlorovinyl-2,2-dimethylcyclopropanecarboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropane carboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl-(+-)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-a-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(S)-a-Cyano-3-phenoxybenzyl(1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-carboxylate|257-842-9|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)-, methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano (3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyl|137497-61-1|139203-31-9|142443-95-6|146909-55-9|159940-28-0|186554-45-0|69865-47-0|727730-89-4|86752-99-0|86753-92-6|88161-75-5|886997-17-7|97955-44-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023998
ARPathway2016 ARPathway2016_1273 Cypermethrin 52315-07-8 DTXSID1023998 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 Cypermethrin 52315-07-8|Cypermethrin|(+)-alpha-Cyano-3-phenoxybenzyl-(+)-cis,trans-2,2-dichlorovinyl-2,2-dimethylcyclopropanecarboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropane carboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl-(+-)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-a-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(S)-a-Cyano-3-phenoxybenzyl(1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-carboxylate|257-842-9|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)-, methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano (3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyl|137497-61-1|139203-31-9|142443-95-6|146909-55-9|159940-28-0|186554-45-0|69865-47-0|727730-89-4|86752-99-0|86753-92-6|88161-75-5|886997-17-7|97955-44-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023998
ERPathway2016 ERPathway2016_371 Cypermethrin 52315-07-8 DTXSID1023998 R6 ER Pathway Model, Antagonist AC50 17.9400683852719 uM CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 Cypermethrin 52315-07-8|Cypermethrin|(+)-alpha-Cyano-3-phenoxybenzyl-(+)-cis,trans-2,2-dichlorovinyl-2,2-dimethylcyclopropanecarboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropane carboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl-(+-)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-a-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(S)-a-Cyano-3-phenoxybenzyl(1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-carboxylate|257-842-9|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)-, methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano (3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyl|137497-61-1|139203-31-9|142443-95-6|146909-55-9|159940-28-0|186554-45-0|69865-47-0|727730-89-4|86752-99-0|86753-92-6|88161-75-5|886997-17-7|97955-44-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023998
ERPathway2016 ERPathway2016_371 Cypermethrin 52315-07-8 DTXSID1023998 R6 ER Pathway Model, Antagonist ACC 23.7942947598308 uM CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 Cypermethrin 52315-07-8|Cypermethrin|(+)-alpha-Cyano-3-phenoxybenzyl-(+)-cis,trans-2,2-dichlorovinyl-2,2-dimethylcyclopropanecarboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropane carboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl-(+-)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-a-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(S)-a-Cyano-3-phenoxybenzyl(1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-carboxylate|257-842-9|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)-, methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano (3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyl|137497-61-1|139203-31-9|142443-95-6|146909-55-9|159940-28-0|186554-45-0|69865-47-0|727730-89-4|86752-99-0|86753-92-6|88161-75-5|886997-17-7|97955-44-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023998
ERPathway2016 ERPathway2016_371 Cypermethrin 52315-07-8 DTXSID1023998 R6 ER Pathway Model, Agonist Model Score 0.0138 Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 Cypermethrin 52315-07-8|Cypermethrin|(+)-alpha-Cyano-3-phenoxybenzyl-(+)-cis,trans-2,2-dichlorovinyl-2,2-dimethylcyclopropanecarboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropane carboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl-(+-)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-a-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(S)-a-Cyano-3-phenoxybenzyl(1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-carboxylate|257-842-9|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)-, methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano (3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyl|137497-61-1|139203-31-9|142443-95-6|146909-55-9|159940-28-0|186554-45-0|69865-47-0|727730-89-4|86752-99-0|86753-92-6|88161-75-5|886997-17-7|97955-44-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023998
ERPathway2016 ERPathway2016_371 Cypermethrin 52315-07-8 DTXSID1023998 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 Cypermethrin 52315-07-8|Cypermethrin|(+)-alpha-Cyano-3-phenoxybenzyl-(+)-cis,trans-2,2-dichlorovinyl-2,2-dimethylcyclopropanecarboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropane carboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl-(+-)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-a-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(S)-a-Cyano-3-phenoxybenzyl(1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-carboxylate|257-842-9|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)-, methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano (3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyl|137497-61-1|139203-31-9|142443-95-6|146909-55-9|159940-28-0|186554-45-0|69865-47-0|727730-89-4|86752-99-0|86753-92-6|88161-75-5|886997-17-7|97955-44-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023998
ERPathway2016 ERPathway2016_371 Cypermethrin 52315-07-8 DTXSID1023998 R6 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 Cypermethrin 52315-07-8|Cypermethrin|(+)-alpha-Cyano-3-phenoxybenzyl-(+)-cis,trans-2,2-dichlorovinyl-2,2-dimethylcyclopropanecarboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropane carboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl-(+-)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-a-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(S)-a-Cyano-3-phenoxybenzyl(1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-carboxylate|257-842-9|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)-, methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano (3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyl|137497-61-1|139203-31-9|142443-95-6|146909-55-9|159940-28-0|186554-45-0|69865-47-0|727730-89-4|86752-99-0|86753-92-6|88161-75-5|886997-17-7|97955-44-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023998
ERPathway2016 ERPathway2016_371 Cypermethrin 52315-07-8 DTXSID1023998 R6 ER Pathway Model, Antagonist Call Active Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 Cypermethrin 52315-07-8|Cypermethrin|(+)-alpha-Cyano-3-phenoxybenzyl-(+)-cis,trans-2,2-dichlorovinyl-2,2-dimethylcyclopropanecarboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropane carboxylate|(+/-)-alpha-Cyano-3-phenoxybenzyl-(+-)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-alpha-Cyano-3-phenoxybenzyl (1RS)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(RS)-a-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(S)-a-Cyano-3-phenoxybenzyl(1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-carboxylate|257-842-9|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)-, methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano (3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyl|137497-61-1|139203-31-9|142443-95-6|146909-55-9|159940-28-0|186554-45-0|69865-47-0|727730-89-4|86752-99-0|86753-92-6|88161-75-5|886997-17-7|97955-44-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023998
ARPathway2016 ARPathway2016_1740 Cyproconazole 94361-06-5 DTXSID0032601 1.0 A2 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C1CC1)C(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1 Cyproconazole 94361-06-5|Cyproconazole|(2RS,3RS;2RS,3RS)-2-(Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2RS,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2SR,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4- triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, a-(4-chlorophenyl)-a-(1-cyclopropylethyl)-|2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|619-020-1|alpha-(4-chlorophenyl)-alpha-(1-cyclopropyl-ethyl)-1H-1,2,4-triazole-1- ethanol|alpha-(4-Chlorophenyl)-alpha-(1-cyclopropylethyl)-1H-1,2,4-triazol-1-ethanol|Alto|Alto 100|Alto 100SL|Alto 240EC|Atemi|Atemi 10 Pepite|Atemi C|Caddy|CCZ|CGA 221949|Cyproconazol|EC No.: 619-020-1|SAN 619F|SAN619|SN 108266|UNII-622B9C3E6T|a-(4-Chlorophenyl)-a-(1-cyclopropylethyl)-1H-1,2,4-triazole-1-ethanol|113096-99-4|1135441-02-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032601
ARPathway2016 ARPathway2016_1740 Cyproconazole 94361-06-5 DTXSID0032601 1.0 A2 AR Pathway Model, Agonist Model Score 0 Unitless CC(C1CC1)C(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1 Cyproconazole 94361-06-5|Cyproconazole|(2RS,3RS;2RS,3RS)-2-(Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2RS,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2SR,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4- triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, a-(4-chlorophenyl)-a-(1-cyclopropylethyl)-|2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|619-020-1|alpha-(4-chlorophenyl)-alpha-(1-cyclopropyl-ethyl)-1H-1,2,4-triazole-1- ethanol|alpha-(4-Chlorophenyl)-alpha-(1-cyclopropylethyl)-1H-1,2,4-triazol-1-ethanol|Alto|Alto 100|Alto 100SL|Alto 240EC|Atemi|Atemi 10 Pepite|Atemi C|Caddy|CCZ|CGA 221949|Cyproconazol|EC No.: 619-020-1|SAN 619F|SAN619|SN 108266|UNII-622B9C3E6T|a-(4-Chlorophenyl)-a-(1-cyclopropylethyl)-1H-1,2,4-triazole-1-ethanol|113096-99-4|1135441-02-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032601
ARPathway2016 ARPathway2016_1740 Cyproconazole 94361-06-5 DTXSID0032601 1.0 A2 AR Pathway Model, Agonist Call Inactive Unitless CC(C1CC1)C(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1 Cyproconazole 94361-06-5|Cyproconazole|(2RS,3RS;2RS,3RS)-2-(Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2RS,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2SR,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4- triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, a-(4-chlorophenyl)-a-(1-cyclopropylethyl)-|2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|619-020-1|alpha-(4-chlorophenyl)-alpha-(1-cyclopropyl-ethyl)-1H-1,2,4-triazole-1- ethanol|alpha-(4-Chlorophenyl)-alpha-(1-cyclopropylethyl)-1H-1,2,4-triazol-1-ethanol|Alto|Alto 100|Alto 100SL|Alto 240EC|Atemi|Atemi 10 Pepite|Atemi C|Caddy|CCZ|CGA 221949|Cyproconazol|EC No.: 619-020-1|SAN 619F|SAN619|SN 108266|UNII-622B9C3E6T|a-(4-Chlorophenyl)-a-(1-cyclopropylethyl)-1H-1,2,4-triazole-1-ethanol|113096-99-4|1135441-02-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032601
ARPathway2016 ARPathway2016_1740 Cyproconazole 94361-06-5 DTXSID0032601 1.0 A2 AR Pathway Model, Antagonist Call Inactive Unitless CC(C1CC1)C(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1 Cyproconazole 94361-06-5|Cyproconazole|(2RS,3RS;2RS,3RS)-2-(Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2RS,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2SR,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4- triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, a-(4-chlorophenyl)-a-(1-cyclopropylethyl)-|2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|619-020-1|alpha-(4-chlorophenyl)-alpha-(1-cyclopropyl-ethyl)-1H-1,2,4-triazole-1- ethanol|alpha-(4-Chlorophenyl)-alpha-(1-cyclopropylethyl)-1H-1,2,4-triazol-1-ethanol|Alto|Alto 100|Alto 100SL|Alto 240EC|Atemi|Atemi 10 Pepite|Atemi C|Caddy|CCZ|CGA 221949|Cyproconazol|EC No.: 619-020-1|SAN 619F|SAN619|SN 108266|UNII-622B9C3E6T|a-(4-Chlorophenyl)-a-(1-cyclopropylethyl)-1H-1,2,4-triazole-1-ethanol|113096-99-4|1135441-02-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032601
ERPathway2016 ERPathway2016_319 Cyproconazole 94361-06-5 DTXSID0032601 ER Pathway Model, Antagonist AC50 29.8014362057673 uM CC(C1CC1)C(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1 Cyproconazole 94361-06-5|Cyproconazole|(2RS,3RS;2RS,3RS)-2-(Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2RS,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2SR,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4- triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, a-(4-chlorophenyl)-a-(1-cyclopropylethyl)-|2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|619-020-1|alpha-(4-chlorophenyl)-alpha-(1-cyclopropyl-ethyl)-1H-1,2,4-triazole-1- ethanol|alpha-(4-Chlorophenyl)-alpha-(1-cyclopropylethyl)-1H-1,2,4-triazol-1-ethanol|Alto|Alto 100|Alto 100SL|Alto 240EC|Atemi|Atemi 10 Pepite|Atemi C|Caddy|CCZ|CGA 221949|Cyproconazol|EC No.: 619-020-1|SAN 619F|SAN619|SN 108266|UNII-622B9C3E6T|a-(4-Chlorophenyl)-a-(1-cyclopropylethyl)-1H-1,2,4-triazole-1-ethanol|113096-99-4|1135441-02-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032601
ERPathway2016 ERPathway2016_319 Cyproconazole 94361-06-5 DTXSID0032601 ER Pathway Model, Antagonist ACC 23.5419275076284 uM CC(C1CC1)C(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1 Cyproconazole 94361-06-5|Cyproconazole|(2RS,3RS;2RS,3RS)-2-(Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2RS,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2SR,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4- triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, a-(4-chlorophenyl)-a-(1-cyclopropylethyl)-|2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|619-020-1|alpha-(4-chlorophenyl)-alpha-(1-cyclopropyl-ethyl)-1H-1,2,4-triazole-1- ethanol|alpha-(4-Chlorophenyl)-alpha-(1-cyclopropylethyl)-1H-1,2,4-triazol-1-ethanol|Alto|Alto 100|Alto 100SL|Alto 240EC|Atemi|Atemi 10 Pepite|Atemi C|Caddy|CCZ|CGA 221949|Cyproconazol|EC No.: 619-020-1|SAN 619F|SAN619|SN 108266|UNII-622B9C3E6T|a-(4-Chlorophenyl)-a-(1-cyclopropylethyl)-1H-1,2,4-triazole-1-ethanol|113096-99-4|1135441-02-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032601
ERPathway2016 ERPathway2016_319 Cyproconazole 94361-06-5 DTXSID0032601 ER Pathway Model, Agonist Model Score 0.0268 Unitless CC(C1CC1)C(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1 Cyproconazole 94361-06-5|Cyproconazole|(2RS,3RS;2RS,3RS)-2-(Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2RS,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2SR,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4- triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, a-(4-chlorophenyl)-a-(1-cyclopropylethyl)-|2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|619-020-1|alpha-(4-chlorophenyl)-alpha-(1-cyclopropyl-ethyl)-1H-1,2,4-triazole-1- ethanol|alpha-(4-Chlorophenyl)-alpha-(1-cyclopropylethyl)-1H-1,2,4-triazol-1-ethanol|Alto|Alto 100|Alto 100SL|Alto 240EC|Atemi|Atemi 10 Pepite|Atemi C|Caddy|CCZ|CGA 221949|Cyproconazol|EC No.: 619-020-1|SAN 619F|SAN619|SN 108266|UNII-622B9C3E6T|a-(4-Chlorophenyl)-a-(1-cyclopropylethyl)-1H-1,2,4-triazole-1-ethanol|113096-99-4|1135441-02-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032601
ERPathway2016 ERPathway2016_319 Cyproconazole 94361-06-5 DTXSID0032601 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C1CC1)C(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1 Cyproconazole 94361-06-5|Cyproconazole|(2RS,3RS;2RS,3RS)-2-(Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2RS,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2SR,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4- triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, a-(4-chlorophenyl)-a-(1-cyclopropylethyl)-|2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|619-020-1|alpha-(4-chlorophenyl)-alpha-(1-cyclopropyl-ethyl)-1H-1,2,4-triazole-1- ethanol|alpha-(4-Chlorophenyl)-alpha-(1-cyclopropylethyl)-1H-1,2,4-triazol-1-ethanol|Alto|Alto 100|Alto 100SL|Alto 240EC|Atemi|Atemi 10 Pepite|Atemi C|Caddy|CCZ|CGA 221949|Cyproconazol|EC No.: 619-020-1|SAN 619F|SAN619|SN 108266|UNII-622B9C3E6T|a-(4-Chlorophenyl)-a-(1-cyclopropylethyl)-1H-1,2,4-triazole-1-ethanol|113096-99-4|1135441-02-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032601
ERPathway2016 ERPathway2016_319 Cyproconazole 94361-06-5 DTXSID0032601 ER Pathway Model, Agonist Call Inactive Unitless CC(C1CC1)C(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1 Cyproconazole 94361-06-5|Cyproconazole|(2RS,3RS;2RS,3RS)-2-(Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2RS,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2SR,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4- triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, a-(4-chlorophenyl)-a-(1-cyclopropylethyl)-|2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|619-020-1|alpha-(4-chlorophenyl)-alpha-(1-cyclopropyl-ethyl)-1H-1,2,4-triazole-1- ethanol|alpha-(4-Chlorophenyl)-alpha-(1-cyclopropylethyl)-1H-1,2,4-triazol-1-ethanol|Alto|Alto 100|Alto 100SL|Alto 240EC|Atemi|Atemi 10 Pepite|Atemi C|Caddy|CCZ|CGA 221949|Cyproconazol|EC No.: 619-020-1|SAN 619F|SAN619|SN 108266|UNII-622B9C3E6T|a-(4-Chlorophenyl)-a-(1-cyclopropylethyl)-1H-1,2,4-triazole-1-ethanol|113096-99-4|1135441-02-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032601
ERPathway2016 ERPathway2016_319 Cyproconazole 94361-06-5 DTXSID0032601 ER Pathway Model, Antagonist Call Active Unitless CC(C1CC1)C(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1 Cyproconazole 94361-06-5|Cyproconazole|(2RS,3RS;2RS,3RS)-2-(Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2RS,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(2RS,3RS;2SR,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4- triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, a-(4-chlorophenyl)-a-(1-cyclopropylethyl)-|2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|619-020-1|alpha-(4-chlorophenyl)-alpha-(1-cyclopropyl-ethyl)-1H-1,2,4-triazole-1- ethanol|alpha-(4-Chlorophenyl)-alpha-(1-cyclopropylethyl)-1H-1,2,4-triazol-1-ethanol|Alto|Alto 100|Alto 100SL|Alto 240EC|Atemi|Atemi 10 Pepite|Atemi C|Caddy|CCZ|CGA 221949|Cyproconazol|EC No.: 619-020-1|SAN 619F|SAN619|SN 108266|UNII-622B9C3E6T|a-(4-Chlorophenyl)-a-(1-cyclopropylethyl)-1H-1,2,4-triazole-1-ethanol|113096-99-4|1135441-02-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032601
ARPathway2016 ARPathway2016_689 Cyprodinil 121552-61-2 DTXSID1032359 True antagonist shift (No hit/Hit) 2.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=NC(NC2=CC=CC=C2)=NC(=C1)C1CC1 Cyprodinil 121552-61-2|Cyprodinil|2-Anilino-4-cyclopropyl-6-methylpyrimidine|2-Pyrimidinamine, 4-cyclopropyl-6-methyl-N-phenyl-|4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine|CGA 219417|CGA219417|HSDB 7019|UNII-42P6T6OFWZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032359 https://doi.org/10.22427/NTP-DATA-DTXSID1032359
ARPathway2016 ARPathway2016_689 Cyprodinil 121552-61-2 DTXSID1032359 True antagonist shift (No hit/Hit) 2.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CC1=NC(NC2=CC=CC=C2)=NC(=C1)C1CC1 Cyprodinil 121552-61-2|Cyprodinil|2-Anilino-4-cyclopropyl-6-methylpyrimidine|2-Pyrimidinamine, 4-cyclopropyl-6-methyl-N-phenyl-|4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine|CGA 219417|CGA219417|HSDB 7019|UNII-42P6T6OFWZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032359 https://doi.org/10.22427/NTP-DATA-DTXSID1032359
ARPathway2016 ARPathway2016_689 Cyprodinil 121552-61-2 DTXSID1032359 True antagonist shift (No hit/Hit) 2.0 R7 AR Pathway Model, Agonist Call Inactive Unitless CC1=NC(NC2=CC=CC=C2)=NC(=C1)C1CC1 Cyprodinil 121552-61-2|Cyprodinil|2-Anilino-4-cyclopropyl-6-methylpyrimidine|2-Pyrimidinamine, 4-cyclopropyl-6-methyl-N-phenyl-|4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine|CGA 219417|CGA219417|HSDB 7019|UNII-42P6T6OFWZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032359 https://doi.org/10.22427/NTP-DATA-DTXSID1032359
ARPathway2016 ARPathway2016_689 Cyprodinil 121552-61-2 DTXSID1032359 True antagonist shift (No hit/Hit) 2.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CC1=NC(NC2=CC=CC=C2)=NC(=C1)C1CC1 Cyprodinil 121552-61-2|Cyprodinil|2-Anilino-4-cyclopropyl-6-methylpyrimidine|2-Pyrimidinamine, 4-cyclopropyl-6-methyl-N-phenyl-|4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine|CGA 219417|CGA219417|HSDB 7019|UNII-42P6T6OFWZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032359 https://doi.org/10.22427/NTP-DATA-DTXSID1032359
ERPathway2016 ERPathway2016_298 Cyprodinil 121552-61-2 DTXSID1032359 A15 ER Pathway Model, Antagonist AC50 15.0516289447225 uM CC1=NC(NC2=CC=CC=C2)=NC(=C1)C1CC1 Cyprodinil 121552-61-2|Cyprodinil|2-Anilino-4-cyclopropyl-6-methylpyrimidine|2-Pyrimidinamine, 4-cyclopropyl-6-methyl-N-phenyl-|4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine|CGA 219417|CGA219417|HSDB 7019|UNII-42P6T6OFWZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032359 https://doi.org/10.22427/NTP-DATA-DTXSID1032359
ERPathway2016 ERPathway2016_298 Cyprodinil 121552-61-2 DTXSID1032359 A15 ER Pathway Model, Antagonist ACC 9.50726311567276 uM CC1=NC(NC2=CC=CC=C2)=NC(=C1)C1CC1 Cyprodinil 121552-61-2|Cyprodinil|2-Anilino-4-cyclopropyl-6-methylpyrimidine|2-Pyrimidinamine, 4-cyclopropyl-6-methyl-N-phenyl-|4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine|CGA 219417|CGA219417|HSDB 7019|UNII-42P6T6OFWZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032359 https://doi.org/10.22427/NTP-DATA-DTXSID1032359
ERPathway2016 ERPathway2016_298 Cyprodinil 121552-61-2 DTXSID1032359 A15 ER Pathway Model, Agonist Model Score 0.0356 Unitless CC1=NC(NC2=CC=CC=C2)=NC(=C1)C1CC1 Cyprodinil 121552-61-2|Cyprodinil|2-Anilino-4-cyclopropyl-6-methylpyrimidine|2-Pyrimidinamine, 4-cyclopropyl-6-methyl-N-phenyl-|4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine|CGA 219417|CGA219417|HSDB 7019|UNII-42P6T6OFWZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032359 https://doi.org/10.22427/NTP-DATA-DTXSID1032359
ERPathway2016 ERPathway2016_298 Cyprodinil 121552-61-2 DTXSID1032359 A15 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=NC(NC2=CC=CC=C2)=NC(=C1)C1CC1 Cyprodinil 121552-61-2|Cyprodinil|2-Anilino-4-cyclopropyl-6-methylpyrimidine|2-Pyrimidinamine, 4-cyclopropyl-6-methyl-N-phenyl-|4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine|CGA 219417|CGA219417|HSDB 7019|UNII-42P6T6OFWZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032359 https://doi.org/10.22427/NTP-DATA-DTXSID1032359
ERPathway2016 ERPathway2016_298 Cyprodinil 121552-61-2 DTXSID1032359 A15 ER Pathway Model, Agonist Call Inactive Unitless CC1=NC(NC2=CC=CC=C2)=NC(=C1)C1CC1 Cyprodinil 121552-61-2|Cyprodinil|2-Anilino-4-cyclopropyl-6-methylpyrimidine|2-Pyrimidinamine, 4-cyclopropyl-6-methyl-N-phenyl-|4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine|CGA 219417|CGA219417|HSDB 7019|UNII-42P6T6OFWZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032359 https://doi.org/10.22427/NTP-DATA-DTXSID1032359
ERPathway2016 ERPathway2016_298 Cyprodinil 121552-61-2 DTXSID1032359 A15 ER Pathway Model, Antagonist Call Active Unitless CC1=NC(NC2=CC=CC=C2)=NC(=C1)C1CC1 Cyprodinil 121552-61-2|Cyprodinil|2-Anilino-4-cyclopropyl-6-methylpyrimidine|2-Pyrimidinamine, 4-cyclopropyl-6-methyl-N-phenyl-|4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine|CGA 219417|CGA219417|HSDB 7019|UNII-42P6T6OFWZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032359 https://doi.org/10.22427/NTP-DATA-DTXSID1032359
ARPathway2016 ARPathway2016_363 Cyproterone acetate 427-51-0 DTXSID5020366 True antagonist shift (No hit/Hit) 5.0 Agonist AR Pathway Model, Antagonist ACC 0.014410346 uM CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O Cyproterone acetate 427-51-0|Cyproterone acetate|1,2-alpha-Methylene-6-chloro-(sup 4,6)-pregnadiene-17-alpha-ol-3,20-dione 17-alpha-acetate|1,2-alpha-Methylene-6-chloro-delta(sup 6)-17-alpha-hydroxyprogesterone acetate|1,2-alpha-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17-alpha-acetate|1,2a-Methylene-6-chloro-17a-acetoxy-4,6-pregnadiene-3,20-dione|1,2a-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17a-acetate|1,2a-Methylene-6-chloro-D4,6-pregnadien-17a-ol-3,20-dione acetate|17-acetate de 6-chloro-1-b,2-b-dihydro-17-hydroxy-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione|17-acetato de 6-cloro-1-b,2-b-dihidro-17-hidroxi-3'H-ciclopropa[1,2]pregna-1,4,6-trieno-3,20-diona|17-alpha-Acetoxy-6-chloro-1-alpha,2-alpha-methylenepregna-4,6-diene-3,20-dione|17a-Acetoxy-6-chloro-1a,2a-methylenepregna-4,6-diene-3,20-dione|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1beta,2beta)-|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 6-chloro-1-beta,2-beta-dihydro-17-hydroxy-, acetate|3'H-Cyclopropa[1,2]pregn https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020366
ARPathway2016 ARPathway2016_363 Cyproterone acetate 427-51-0 DTXSID5020366 True antagonist shift (No hit/Hit) 5.0 Agonist AR Pathway Model, Antagonist AC50 0.587758641 uM CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O Cyproterone acetate 427-51-0|Cyproterone acetate|1,2-alpha-Methylene-6-chloro-(sup 4,6)-pregnadiene-17-alpha-ol-3,20-dione 17-alpha-acetate|1,2-alpha-Methylene-6-chloro-delta(sup 6)-17-alpha-hydroxyprogesterone acetate|1,2-alpha-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17-alpha-acetate|1,2a-Methylene-6-chloro-17a-acetoxy-4,6-pregnadiene-3,20-dione|1,2a-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17a-acetate|1,2a-Methylene-6-chloro-D4,6-pregnadien-17a-ol-3,20-dione acetate|17-acetate de 6-chloro-1-b,2-b-dihydro-17-hydroxy-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione|17-acetato de 6-cloro-1-b,2-b-dihidro-17-hidroxi-3'H-ciclopropa[1,2]pregna-1,4,6-trieno-3,20-diona|17-alpha-Acetoxy-6-chloro-1-alpha,2-alpha-methylenepregna-4,6-diene-3,20-dione|17a-Acetoxy-6-chloro-1a,2a-methylenepregna-4,6-diene-3,20-dione|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1beta,2beta)-|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 6-chloro-1-beta,2-beta-dihydro-17-hydroxy-, acetate|3'H-Cyclopropa[1,2]pregn https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020366
ARPathway2016 ARPathway2016_363 Cyproterone acetate 427-51-0 DTXSID5020366 True antagonist shift (No hit/Hit) 5.0 Agonist AR Pathway Model, Antagonist Model Score 0.229 Unitless CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O Cyproterone acetate 427-51-0|Cyproterone acetate|1,2-alpha-Methylene-6-chloro-(sup 4,6)-pregnadiene-17-alpha-ol-3,20-dione 17-alpha-acetate|1,2-alpha-Methylene-6-chloro-delta(sup 6)-17-alpha-hydroxyprogesterone acetate|1,2-alpha-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17-alpha-acetate|1,2a-Methylene-6-chloro-17a-acetoxy-4,6-pregnadiene-3,20-dione|1,2a-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17a-acetate|1,2a-Methylene-6-chloro-D4,6-pregnadien-17a-ol-3,20-dione acetate|17-acetate de 6-chloro-1-b,2-b-dihydro-17-hydroxy-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione|17-acetato de 6-cloro-1-b,2-b-dihidro-17-hidroxi-3'H-ciclopropa[1,2]pregna-1,4,6-trieno-3,20-diona|17-alpha-Acetoxy-6-chloro-1-alpha,2-alpha-methylenepregna-4,6-diene-3,20-dione|17a-Acetoxy-6-chloro-1a,2a-methylenepregna-4,6-diene-3,20-dione|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1beta,2beta)-|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 6-chloro-1-beta,2-beta-dihydro-17-hydroxy-, acetate|3'H-Cyclopropa[1,2]pregn https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020366
ARPathway2016 ARPathway2016_363 Cyproterone acetate 427-51-0 DTXSID5020366 True antagonist shift (No hit/Hit) 5.0 Agonist AR Pathway Model, Agonist Model Score 0.494 Unitless CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O Cyproterone acetate 427-51-0|Cyproterone acetate|1,2-alpha-Methylene-6-chloro-(sup 4,6)-pregnadiene-17-alpha-ol-3,20-dione 17-alpha-acetate|1,2-alpha-Methylene-6-chloro-delta(sup 6)-17-alpha-hydroxyprogesterone acetate|1,2-alpha-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17-alpha-acetate|1,2a-Methylene-6-chloro-17a-acetoxy-4,6-pregnadiene-3,20-dione|1,2a-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17a-acetate|1,2a-Methylene-6-chloro-D4,6-pregnadien-17a-ol-3,20-dione acetate|17-acetate de 6-chloro-1-b,2-b-dihydro-17-hydroxy-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione|17-acetato de 6-cloro-1-b,2-b-dihidro-17-hidroxi-3'H-ciclopropa[1,2]pregna-1,4,6-trieno-3,20-diona|17-alpha-Acetoxy-6-chloro-1-alpha,2-alpha-methylenepregna-4,6-diene-3,20-dione|17a-Acetoxy-6-chloro-1a,2a-methylenepregna-4,6-diene-3,20-dione|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1beta,2beta)-|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 6-chloro-1-beta,2-beta-dihydro-17-hydroxy-, acetate|3'H-Cyclopropa[1,2]pregn https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020366
ARPathway2016 ARPathway2016_363 Cyproterone acetate 427-51-0 DTXSID5020366 True antagonist shift (No hit/Hit) 5.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O Cyproterone acetate 427-51-0|Cyproterone acetate|1,2-alpha-Methylene-6-chloro-(sup 4,6)-pregnadiene-17-alpha-ol-3,20-dione 17-alpha-acetate|1,2-alpha-Methylene-6-chloro-delta(sup 6)-17-alpha-hydroxyprogesterone acetate|1,2-alpha-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17-alpha-acetate|1,2a-Methylene-6-chloro-17a-acetoxy-4,6-pregnadiene-3,20-dione|1,2a-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17a-acetate|1,2a-Methylene-6-chloro-D4,6-pregnadien-17a-ol-3,20-dione acetate|17-acetate de 6-chloro-1-b,2-b-dihydro-17-hydroxy-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione|17-acetato de 6-cloro-1-b,2-b-dihidro-17-hidroxi-3'H-ciclopropa[1,2]pregna-1,4,6-trieno-3,20-diona|17-alpha-Acetoxy-6-chloro-1-alpha,2-alpha-methylenepregna-4,6-diene-3,20-dione|17a-Acetoxy-6-chloro-1a,2a-methylenepregna-4,6-diene-3,20-dione|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1beta,2beta)-|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 6-chloro-1-beta,2-beta-dihydro-17-hydroxy-, acetate|3'H-Cyclopropa[1,2]pregn https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020366
ARPathway2016 ARPathway2016_363 Cyproterone acetate 427-51-0 DTXSID5020366 True antagonist shift (No hit/Hit) 5.0 Agonist AR Pathway Model, Antagonist Call Active Unitless CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O Cyproterone acetate 427-51-0|Cyproterone acetate|1,2-alpha-Methylene-6-chloro-(sup 4,6)-pregnadiene-17-alpha-ol-3,20-dione 17-alpha-acetate|1,2-alpha-Methylene-6-chloro-delta(sup 6)-17-alpha-hydroxyprogesterone acetate|1,2-alpha-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17-alpha-acetate|1,2a-Methylene-6-chloro-17a-acetoxy-4,6-pregnadiene-3,20-dione|1,2a-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17a-acetate|1,2a-Methylene-6-chloro-D4,6-pregnadien-17a-ol-3,20-dione acetate|17-acetate de 6-chloro-1-b,2-b-dihydro-17-hydroxy-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione|17-acetato de 6-cloro-1-b,2-b-dihidro-17-hidroxi-3'H-ciclopropa[1,2]pregna-1,4,6-trieno-3,20-diona|17-alpha-Acetoxy-6-chloro-1-alpha,2-alpha-methylenepregna-4,6-diene-3,20-dione|17a-Acetoxy-6-chloro-1a,2a-methylenepregna-4,6-diene-3,20-dione|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1beta,2beta)-|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 6-chloro-1-beta,2-beta-dihydro-17-hydroxy-, acetate|3'H-Cyclopropa[1,2]pregn https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020366
ERPathway2016 ERPathway2016_487 Cyproterone acetate 427-51-0 DTXSID5020366 R8 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O Cyproterone acetate 427-51-0|Cyproterone acetate|1,2-alpha-Methylene-6-chloro-(sup 4,6)-pregnadiene-17-alpha-ol-3,20-dione 17-alpha-acetate|1,2-alpha-Methylene-6-chloro-delta(sup 6)-17-alpha-hydroxyprogesterone acetate|1,2-alpha-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17-alpha-acetate|1,2a-Methylene-6-chloro-17a-acetoxy-4,6-pregnadiene-3,20-dione|1,2a-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17a-acetate|1,2a-Methylene-6-chloro-D4,6-pregnadien-17a-ol-3,20-dione acetate|17-acetate de 6-chloro-1-b,2-b-dihydro-17-hydroxy-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione|17-acetato de 6-cloro-1-b,2-b-dihidro-17-hidroxi-3'H-ciclopropa[1,2]pregna-1,4,6-trieno-3,20-diona|17-alpha-Acetoxy-6-chloro-1-alpha,2-alpha-methylenepregna-4,6-diene-3,20-dione|17a-Acetoxy-6-chloro-1a,2a-methylenepregna-4,6-diene-3,20-dione|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1beta,2beta)-|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 6-chloro-1-beta,2-beta-dihydro-17-hydroxy-, acetate|3'H-Cyclopropa[1,2]pregn https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020366
ERPathway2016 ERPathway2016_487 Cyproterone acetate 427-51-0 DTXSID5020366 R8 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O Cyproterone acetate 427-51-0|Cyproterone acetate|1,2-alpha-Methylene-6-chloro-(sup 4,6)-pregnadiene-17-alpha-ol-3,20-dione 17-alpha-acetate|1,2-alpha-Methylene-6-chloro-delta(sup 6)-17-alpha-hydroxyprogesterone acetate|1,2-alpha-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17-alpha-acetate|1,2a-Methylene-6-chloro-17a-acetoxy-4,6-pregnadiene-3,20-dione|1,2a-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17a-acetate|1,2a-Methylene-6-chloro-D4,6-pregnadien-17a-ol-3,20-dione acetate|17-acetate de 6-chloro-1-b,2-b-dihydro-17-hydroxy-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione|17-acetato de 6-cloro-1-b,2-b-dihidro-17-hidroxi-3'H-ciclopropa[1,2]pregna-1,4,6-trieno-3,20-diona|17-alpha-Acetoxy-6-chloro-1-alpha,2-alpha-methylenepregna-4,6-diene-3,20-dione|17a-Acetoxy-6-chloro-1a,2a-methylenepregna-4,6-diene-3,20-dione|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1beta,2beta)-|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 6-chloro-1-beta,2-beta-dihydro-17-hydroxy-, acetate|3'H-Cyclopropa[1,2]pregn https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020366
ERPathway2016 ERPathway2016_487 Cyproterone acetate 427-51-0 DTXSID5020366 R8 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O Cyproterone acetate 427-51-0|Cyproterone acetate|1,2-alpha-Methylene-6-chloro-(sup 4,6)-pregnadiene-17-alpha-ol-3,20-dione 17-alpha-acetate|1,2-alpha-Methylene-6-chloro-delta(sup 6)-17-alpha-hydroxyprogesterone acetate|1,2-alpha-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17-alpha-acetate|1,2a-Methylene-6-chloro-17a-acetoxy-4,6-pregnadiene-3,20-dione|1,2a-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17a-acetate|1,2a-Methylene-6-chloro-D4,6-pregnadien-17a-ol-3,20-dione acetate|17-acetate de 6-chloro-1-b,2-b-dihydro-17-hydroxy-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione|17-acetato de 6-cloro-1-b,2-b-dihidro-17-hidroxi-3'H-ciclopropa[1,2]pregna-1,4,6-trieno-3,20-diona|17-alpha-Acetoxy-6-chloro-1-alpha,2-alpha-methylenepregna-4,6-diene-3,20-dione|17a-Acetoxy-6-chloro-1a,2a-methylenepregna-4,6-diene-3,20-dione|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1beta,2beta)-|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 6-chloro-1-beta,2-beta-dihydro-17-hydroxy-, acetate|3'H-Cyclopropa[1,2]pregn https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020366
ERPathway2016 ERPathway2016_487 Cyproterone acetate 427-51-0 DTXSID5020366 R8 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O Cyproterone acetate 427-51-0|Cyproterone acetate|1,2-alpha-Methylene-6-chloro-(sup 4,6)-pregnadiene-17-alpha-ol-3,20-dione 17-alpha-acetate|1,2-alpha-Methylene-6-chloro-delta(sup 6)-17-alpha-hydroxyprogesterone acetate|1,2-alpha-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17-alpha-acetate|1,2a-Methylene-6-chloro-17a-acetoxy-4,6-pregnadiene-3,20-dione|1,2a-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17a-acetate|1,2a-Methylene-6-chloro-D4,6-pregnadien-17a-ol-3,20-dione acetate|17-acetate de 6-chloro-1-b,2-b-dihydro-17-hydroxy-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione|17-acetato de 6-cloro-1-b,2-b-dihidro-17-hidroxi-3'H-ciclopropa[1,2]pregna-1,4,6-trieno-3,20-diona|17-alpha-Acetoxy-6-chloro-1-alpha,2-alpha-methylenepregna-4,6-diene-3,20-dione|17a-Acetoxy-6-chloro-1a,2a-methylenepregna-4,6-diene-3,20-dione|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1beta,2beta)-|3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 6-chloro-1-beta,2-beta-dihydro-17-hydroxy-, acetate|3'H-Cyclopropa[1,2]pregn https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020366
ARPathway2016 ARPathway2016_1455 Cyromazine 66215-27-8 DTXSID6023999 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=NC(NC2CC2)=NC(N)=N1 Cyromazine 66215-27-8|Cyromazine|2-Cyclopropylamino-4,6-diamino-s-triazine|2,4-Diamino-6-(cyclopropylamino)-s-triazine|Azimethiphos|BRN 0882879|Caswell No. 167B|Ciromazina|Citation|Cyclopropylmelamine|Cypromazine|Cyromazinum|EINECS 266-257-8|Larvadex|N-cyclopropyl-1,3,5-triazine-2,4,6-triamine|N-cyclopropylmelamine|Neporex|Trigard|UNII-CA49Y29RA9|Vetrazin https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023999
ARPathway2016 ARPathway2016_1455 Cyromazine 66215-27-8 DTXSID6023999 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=NC(NC2CC2)=NC(N)=N1 Cyromazine 66215-27-8|Cyromazine|2-Cyclopropylamino-4,6-diamino-s-triazine|2,4-Diamino-6-(cyclopropylamino)-s-triazine|Azimethiphos|BRN 0882879|Caswell No. 167B|Ciromazina|Citation|Cyclopropylmelamine|Cypromazine|Cyromazinum|EINECS 266-257-8|Larvadex|N-cyclopropyl-1,3,5-triazine-2,4,6-triamine|N-cyclopropylmelamine|Neporex|Trigard|UNII-CA49Y29RA9|Vetrazin https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023999
ARPathway2016 ARPathway2016_1455 Cyromazine 66215-27-8 DTXSID6023999 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=NC(NC2CC2)=NC(N)=N1 Cyromazine 66215-27-8|Cyromazine|2-Cyclopropylamino-4,6-diamino-s-triazine|2,4-Diamino-6-(cyclopropylamino)-s-triazine|Azimethiphos|BRN 0882879|Caswell No. 167B|Ciromazina|Citation|Cyclopropylmelamine|Cypromazine|Cyromazinum|EINECS 266-257-8|Larvadex|N-cyclopropyl-1,3,5-triazine-2,4,6-triamine|N-cyclopropylmelamine|Neporex|Trigard|UNII-CA49Y29RA9|Vetrazin https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023999
ARPathway2016 ARPathway2016_1455 Cyromazine 66215-27-8 DTXSID6023999 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=NC(NC2CC2)=NC(N)=N1 Cyromazine 66215-27-8|Cyromazine|2-Cyclopropylamino-4,6-diamino-s-triazine|2,4-Diamino-6-(cyclopropylamino)-s-triazine|Azimethiphos|BRN 0882879|Caswell No. 167B|Ciromazina|Citation|Cyclopropylmelamine|Cypromazine|Cyromazinum|EINECS 266-257-8|Larvadex|N-cyclopropyl-1,3,5-triazine-2,4,6-triamine|N-cyclopropylmelamine|Neporex|Trigard|UNII-CA49Y29RA9|Vetrazin https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023999
ERPathway2016 ERPathway2016_848 Cyromazine 66215-27-8 DTXSID6023999 ER Pathway Model, Agonist Model Score 0 Unitless NC1=NC(NC2CC2)=NC(N)=N1 Cyromazine 66215-27-8|Cyromazine|2-Cyclopropylamino-4,6-diamino-s-triazine|2,4-Diamino-6-(cyclopropylamino)-s-triazine|Azimethiphos|BRN 0882879|Caswell No. 167B|Ciromazina|Citation|Cyclopropylmelamine|Cypromazine|Cyromazinum|EINECS 266-257-8|Larvadex|N-cyclopropyl-1,3,5-triazine-2,4,6-triamine|N-cyclopropylmelamine|Neporex|Trigard|UNII-CA49Y29RA9|Vetrazin https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023999
ERPathway2016 ERPathway2016_848 Cyromazine 66215-27-8 DTXSID6023999 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=NC(NC2CC2)=NC(N)=N1 Cyromazine 66215-27-8|Cyromazine|2-Cyclopropylamino-4,6-diamino-s-triazine|2,4-Diamino-6-(cyclopropylamino)-s-triazine|Azimethiphos|BRN 0882879|Caswell No. 167B|Ciromazina|Citation|Cyclopropylmelamine|Cypromazine|Cyromazinum|EINECS 266-257-8|Larvadex|N-cyclopropyl-1,3,5-triazine-2,4,6-triamine|N-cyclopropylmelamine|Neporex|Trigard|UNII-CA49Y29RA9|Vetrazin https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023999
ERPathway2016 ERPathway2016_848 Cyromazine 66215-27-8 DTXSID6023999 ER Pathway Model, Agonist Call Inactive Unitless NC1=NC(NC2CC2)=NC(N)=N1 Cyromazine 66215-27-8|Cyromazine|2-Cyclopropylamino-4,6-diamino-s-triazine|2,4-Diamino-6-(cyclopropylamino)-s-triazine|Azimethiphos|BRN 0882879|Caswell No. 167B|Ciromazina|Citation|Cyclopropylmelamine|Cypromazine|Cyromazinum|EINECS 266-257-8|Larvadex|N-cyclopropyl-1,3,5-triazine-2,4,6-triamine|N-cyclopropylmelamine|Neporex|Trigard|UNII-CA49Y29RA9|Vetrazin https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023999
ERPathway2016 ERPathway2016_848 Cyromazine 66215-27-8 DTXSID6023999 ER Pathway Model, Antagonist Call Inactive Unitless NC1=NC(NC2CC2)=NC(N)=N1 Cyromazine 66215-27-8|Cyromazine|2-Cyclopropylamino-4,6-diamino-s-triazine|2,4-Diamino-6-(cyclopropylamino)-s-triazine|Azimethiphos|BRN 0882879|Caswell No. 167B|Ciromazina|Citation|Cyclopropylmelamine|Cypromazine|Cyromazinum|EINECS 266-257-8|Larvadex|N-cyclopropyl-1,3,5-triazine-2,4,6-triamine|N-cyclopropylmelamine|Neporex|Trigard|UNII-CA49Y29RA9|Vetrazin https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023999
ARPathway2016 ARPathway2016_1500 Cytarabine hydrochloride 69-74-9 DTXSID5024891 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O Cytarabine hydrochloride 69-74-9|Cytarabine hydrochloride|1-beta-D-Arabinofuranosylcytosine monohydrochloride|1beta-D-Arabinofuranosylcytosine hydrochloride|1beta-D-Arabinofuranosylcytosine monohydrochloride|2(1H)-Pyrimidinone, 4-amino-1-beta-D-arabinofuranosyl-, monohydrochloride|Ara-C hydrochloride|Arabinofuranosylcytosine hydrochloride|Arabinosyl cytosine hydrochloride|Arabinosylcytosine hydrochloride|Arabitin hydrochloride|Aracytidine hydrochloride|Aracytin hydrochloride|Cytarabin hydrochloride|Cytarabine HCl|Cytosar hydrochloride|Cytosine arabinoside hydrochloride|Cytosine b-D-arabinofuranoside hydrochloride|Cytosine-1-beta-D-arabinofuranoside hydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monhydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monohydrochloride|Cytosine, 1beta-D-arabinofuranosyl-, monohydrochloride|EINECS 200-713-9|Spongocytidine hydrochloride|UNII-33K3DB6591 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024891 https://doi.org/10.22427/NTP-DATA-DTXSID5024891
ARPathway2016 ARPathway2016_1500 Cytarabine hydrochloride 69-74-9 DTXSID5024891 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cl.NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O Cytarabine hydrochloride 69-74-9|Cytarabine hydrochloride|1-beta-D-Arabinofuranosylcytosine monohydrochloride|1beta-D-Arabinofuranosylcytosine hydrochloride|1beta-D-Arabinofuranosylcytosine monohydrochloride|2(1H)-Pyrimidinone, 4-amino-1-beta-D-arabinofuranosyl-, monohydrochloride|Ara-C hydrochloride|Arabinofuranosylcytosine hydrochloride|Arabinosyl cytosine hydrochloride|Arabinosylcytosine hydrochloride|Arabitin hydrochloride|Aracytidine hydrochloride|Aracytin hydrochloride|Cytarabin hydrochloride|Cytarabine HCl|Cytosar hydrochloride|Cytosine arabinoside hydrochloride|Cytosine b-D-arabinofuranoside hydrochloride|Cytosine-1-beta-D-arabinofuranoside hydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monhydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monohydrochloride|Cytosine, 1beta-D-arabinofuranosyl-, monohydrochloride|EINECS 200-713-9|Spongocytidine hydrochloride|UNII-33K3DB6591 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024891 https://doi.org/10.22427/NTP-DATA-DTXSID5024891
ARPathway2016 ARPathway2016_1500 Cytarabine hydrochloride 69-74-9 DTXSID5024891 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cl.NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O Cytarabine hydrochloride 69-74-9|Cytarabine hydrochloride|1-beta-D-Arabinofuranosylcytosine monohydrochloride|1beta-D-Arabinofuranosylcytosine hydrochloride|1beta-D-Arabinofuranosylcytosine monohydrochloride|2(1H)-Pyrimidinone, 4-amino-1-beta-D-arabinofuranosyl-, monohydrochloride|Ara-C hydrochloride|Arabinofuranosylcytosine hydrochloride|Arabinosyl cytosine hydrochloride|Arabinosylcytosine hydrochloride|Arabitin hydrochloride|Aracytidine hydrochloride|Aracytin hydrochloride|Cytarabin hydrochloride|Cytarabine HCl|Cytosar hydrochloride|Cytosine arabinoside hydrochloride|Cytosine b-D-arabinofuranoside hydrochloride|Cytosine-1-beta-D-arabinofuranoside hydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monhydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monohydrochloride|Cytosine, 1beta-D-arabinofuranosyl-, monohydrochloride|EINECS 200-713-9|Spongocytidine hydrochloride|UNII-33K3DB6591 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024891 https://doi.org/10.22427/NTP-DATA-DTXSID5024891
ARPathway2016 ARPathway2016_1500 Cytarabine hydrochloride 69-74-9 DTXSID5024891 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cl.NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O Cytarabine hydrochloride 69-74-9|Cytarabine hydrochloride|1-beta-D-Arabinofuranosylcytosine monohydrochloride|1beta-D-Arabinofuranosylcytosine hydrochloride|1beta-D-Arabinofuranosylcytosine monohydrochloride|2(1H)-Pyrimidinone, 4-amino-1-beta-D-arabinofuranosyl-, monohydrochloride|Ara-C hydrochloride|Arabinofuranosylcytosine hydrochloride|Arabinosyl cytosine hydrochloride|Arabinosylcytosine hydrochloride|Arabitin hydrochloride|Aracytidine hydrochloride|Aracytin hydrochloride|Cytarabin hydrochloride|Cytarabine HCl|Cytosar hydrochloride|Cytosine arabinoside hydrochloride|Cytosine b-D-arabinofuranoside hydrochloride|Cytosine-1-beta-D-arabinofuranoside hydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monhydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monohydrochloride|Cytosine, 1beta-D-arabinofuranosyl-, monohydrochloride|EINECS 200-713-9|Spongocytidine hydrochloride|UNII-33K3DB6591 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024891 https://doi.org/10.22427/NTP-DATA-DTXSID5024891
ERPathway2016 ERPathway2016_310 Cytarabine hydrochloride 69-74-9 DTXSID5024891 ER Pathway Model, Antagonist AC50 43.4809455489028 uM Cl.NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O Cytarabine hydrochloride 69-74-9|Cytarabine hydrochloride|1-beta-D-Arabinofuranosylcytosine monohydrochloride|1beta-D-Arabinofuranosylcytosine hydrochloride|1beta-D-Arabinofuranosylcytosine monohydrochloride|2(1H)-Pyrimidinone, 4-amino-1-beta-D-arabinofuranosyl-, monohydrochloride|Ara-C hydrochloride|Arabinofuranosylcytosine hydrochloride|Arabinosyl cytosine hydrochloride|Arabinosylcytosine hydrochloride|Arabitin hydrochloride|Aracytidine hydrochloride|Aracytin hydrochloride|Cytarabin hydrochloride|Cytarabine HCl|Cytosar hydrochloride|Cytosine arabinoside hydrochloride|Cytosine b-D-arabinofuranoside hydrochloride|Cytosine-1-beta-D-arabinofuranoside hydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monhydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monohydrochloride|Cytosine, 1beta-D-arabinofuranosyl-, monohydrochloride|EINECS 200-713-9|Spongocytidine hydrochloride|UNII-33K3DB6591 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024891 https://doi.org/10.22427/NTP-DATA-DTXSID5024891
ERPathway2016 ERPathway2016_310 Cytarabine hydrochloride 69-74-9 DTXSID5024891 ER Pathway Model, Antagonist ACC 37.2050196697683 uM Cl.NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O Cytarabine hydrochloride 69-74-9|Cytarabine hydrochloride|1-beta-D-Arabinofuranosylcytosine monohydrochloride|1beta-D-Arabinofuranosylcytosine hydrochloride|1beta-D-Arabinofuranosylcytosine monohydrochloride|2(1H)-Pyrimidinone, 4-amino-1-beta-D-arabinofuranosyl-, monohydrochloride|Ara-C hydrochloride|Arabinofuranosylcytosine hydrochloride|Arabinosyl cytosine hydrochloride|Arabinosylcytosine hydrochloride|Arabitin hydrochloride|Aracytidine hydrochloride|Aracytin hydrochloride|Cytarabin hydrochloride|Cytarabine HCl|Cytosar hydrochloride|Cytosine arabinoside hydrochloride|Cytosine b-D-arabinofuranoside hydrochloride|Cytosine-1-beta-D-arabinofuranoside hydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monhydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monohydrochloride|Cytosine, 1beta-D-arabinofuranosyl-, monohydrochloride|EINECS 200-713-9|Spongocytidine hydrochloride|UNII-33K3DB6591 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024891 https://doi.org/10.22427/NTP-DATA-DTXSID5024891
ERPathway2016 ERPathway2016_310 Cytarabine hydrochloride 69-74-9 DTXSID5024891 ER Pathway Model, Agonist Model Score 0.0289 Unitless Cl.NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O Cytarabine hydrochloride 69-74-9|Cytarabine hydrochloride|1-beta-D-Arabinofuranosylcytosine monohydrochloride|1beta-D-Arabinofuranosylcytosine hydrochloride|1beta-D-Arabinofuranosylcytosine monohydrochloride|2(1H)-Pyrimidinone, 4-amino-1-beta-D-arabinofuranosyl-, monohydrochloride|Ara-C hydrochloride|Arabinofuranosylcytosine hydrochloride|Arabinosyl cytosine hydrochloride|Arabinosylcytosine hydrochloride|Arabitin hydrochloride|Aracytidine hydrochloride|Aracytin hydrochloride|Cytarabin hydrochloride|Cytarabine HCl|Cytosar hydrochloride|Cytosine arabinoside hydrochloride|Cytosine b-D-arabinofuranoside hydrochloride|Cytosine-1-beta-D-arabinofuranoside hydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monhydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monohydrochloride|Cytosine, 1beta-D-arabinofuranosyl-, monohydrochloride|EINECS 200-713-9|Spongocytidine hydrochloride|UNII-33K3DB6591 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024891 https://doi.org/10.22427/NTP-DATA-DTXSID5024891
ERPathway2016 ERPathway2016_310 Cytarabine hydrochloride 69-74-9 DTXSID5024891 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O Cytarabine hydrochloride 69-74-9|Cytarabine hydrochloride|1-beta-D-Arabinofuranosylcytosine monohydrochloride|1beta-D-Arabinofuranosylcytosine hydrochloride|1beta-D-Arabinofuranosylcytosine monohydrochloride|2(1H)-Pyrimidinone, 4-amino-1-beta-D-arabinofuranosyl-, monohydrochloride|Ara-C hydrochloride|Arabinofuranosylcytosine hydrochloride|Arabinosyl cytosine hydrochloride|Arabinosylcytosine hydrochloride|Arabitin hydrochloride|Aracytidine hydrochloride|Aracytin hydrochloride|Cytarabin hydrochloride|Cytarabine HCl|Cytosar hydrochloride|Cytosine arabinoside hydrochloride|Cytosine b-D-arabinofuranoside hydrochloride|Cytosine-1-beta-D-arabinofuranoside hydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monhydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monohydrochloride|Cytosine, 1beta-D-arabinofuranosyl-, monohydrochloride|EINECS 200-713-9|Spongocytidine hydrochloride|UNII-33K3DB6591 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024891 https://doi.org/10.22427/NTP-DATA-DTXSID5024891
ERPathway2016 ERPathway2016_310 Cytarabine hydrochloride 69-74-9 DTXSID5024891 ER Pathway Model, Agonist Call Inactive Unitless Cl.NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O Cytarabine hydrochloride 69-74-9|Cytarabine hydrochloride|1-beta-D-Arabinofuranosylcytosine monohydrochloride|1beta-D-Arabinofuranosylcytosine hydrochloride|1beta-D-Arabinofuranosylcytosine monohydrochloride|2(1H)-Pyrimidinone, 4-amino-1-beta-D-arabinofuranosyl-, monohydrochloride|Ara-C hydrochloride|Arabinofuranosylcytosine hydrochloride|Arabinosyl cytosine hydrochloride|Arabinosylcytosine hydrochloride|Arabitin hydrochloride|Aracytidine hydrochloride|Aracytin hydrochloride|Cytarabin hydrochloride|Cytarabine HCl|Cytosar hydrochloride|Cytosine arabinoside hydrochloride|Cytosine b-D-arabinofuranoside hydrochloride|Cytosine-1-beta-D-arabinofuranoside hydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monhydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monohydrochloride|Cytosine, 1beta-D-arabinofuranosyl-, monohydrochloride|EINECS 200-713-9|Spongocytidine hydrochloride|UNII-33K3DB6591 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024891 https://doi.org/10.22427/NTP-DATA-DTXSID5024891
ERPathway2016 ERPathway2016_310 Cytarabine hydrochloride 69-74-9 DTXSID5024891 ER Pathway Model, Antagonist Call Active Unitless Cl.NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O Cytarabine hydrochloride 69-74-9|Cytarabine hydrochloride|1-beta-D-Arabinofuranosylcytosine monohydrochloride|1beta-D-Arabinofuranosylcytosine hydrochloride|1beta-D-Arabinofuranosylcytosine monohydrochloride|2(1H)-Pyrimidinone, 4-amino-1-beta-D-arabinofuranosyl-, monohydrochloride|Ara-C hydrochloride|Arabinofuranosylcytosine hydrochloride|Arabinosyl cytosine hydrochloride|Arabinosylcytosine hydrochloride|Arabitin hydrochloride|Aracytidine hydrochloride|Aracytin hydrochloride|Cytarabin hydrochloride|Cytarabine HCl|Cytosar hydrochloride|Cytosine arabinoside hydrochloride|Cytosine b-D-arabinofuranoside hydrochloride|Cytosine-1-beta-D-arabinofuranoside hydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monhydrochloride|Cytosine, 1-beta-D-arabinofuranosyl-, monohydrochloride|Cytosine, 1beta-D-arabinofuranosyl-, monohydrochloride|EINECS 200-713-9|Spongocytidine hydrochloride|UNII-33K3DB6591 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024891 https://doi.org/10.22427/NTP-DATA-DTXSID5024891
ARPathway2016 ARPathway2016_1232 Daidzein 486-66-8 DTXSID9022310 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless [H]C1=CC(O)=CC2=C1C(=O)C(=CO2)C1=CC=C(O)C=C1 Daidzein 486-66-8|Daidzein|207-635-4|4',7-Dihydroxy-Isoflavone|4',7-Dihydroxyisoflavone|4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-|5-18-04-00089|7-hidroxi-3-(4-hidroxifenil)-4-benzopirona|7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyron|7-hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|7,4'-Dihydroxyisoflavone|BRN 0231523|Daidzein|Daidzeol|Daidzin aglycone|EC No.: 207-635-4|EINECS 207-635-4|FW 635I-1|Isoaurostatin|Isoflavone, 4',7-dihydroxy-|Isoflavone, 4',7-dihydroxy- (8CI)|K 251b|NPI 031E|UNII-6287WC5J2L https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022310 https://doi.org/10.22427/NTP-DATA-DTXSID9022310
ARPathway2016 ARPathway2016_1232 Daidzein 486-66-8 DTXSID9022310 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless [H]C1=CC(O)=CC2=C1C(=O)C(=CO2)C1=CC=C(O)C=C1 Daidzein 486-66-8|Daidzein|207-635-4|4',7-Dihydroxy-Isoflavone|4',7-Dihydroxyisoflavone|4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-|5-18-04-00089|7-hidroxi-3-(4-hidroxifenil)-4-benzopirona|7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyron|7-hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|7,4'-Dihydroxyisoflavone|BRN 0231523|Daidzein|Daidzeol|Daidzin aglycone|EC No.: 207-635-4|EINECS 207-635-4|FW 635I-1|Isoaurostatin|Isoflavone, 4',7-dihydroxy-|Isoflavone, 4',7-dihydroxy- (8CI)|K 251b|NPI 031E|UNII-6287WC5J2L https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022310 https://doi.org/10.22427/NTP-DATA-DTXSID9022310
ARPathway2016 ARPathway2016_1232 Daidzein 486-66-8 DTXSID9022310 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless [H]C1=CC(O)=CC2=C1C(=O)C(=CO2)C1=CC=C(O)C=C1 Daidzein 486-66-8|Daidzein|207-635-4|4',7-Dihydroxy-Isoflavone|4',7-Dihydroxyisoflavone|4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-|5-18-04-00089|7-hidroxi-3-(4-hidroxifenil)-4-benzopirona|7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyron|7-hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|7,4'-Dihydroxyisoflavone|BRN 0231523|Daidzein|Daidzeol|Daidzin aglycone|EC No.: 207-635-4|EINECS 207-635-4|FW 635I-1|Isoaurostatin|Isoflavone, 4',7-dihydroxy-|Isoflavone, 4',7-dihydroxy- (8CI)|K 251b|NPI 031E|UNII-6287WC5J2L https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022310 https://doi.org/10.22427/NTP-DATA-DTXSID9022310
ARPathway2016 ARPathway2016_1232 Daidzein 486-66-8 DTXSID9022310 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless [H]C1=CC(O)=CC2=C1C(=O)C(=CO2)C1=CC=C(O)C=C1 Daidzein 486-66-8|Daidzein|207-635-4|4',7-Dihydroxy-Isoflavone|4',7-Dihydroxyisoflavone|4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-|5-18-04-00089|7-hidroxi-3-(4-hidroxifenil)-4-benzopirona|7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyron|7-hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|7,4'-Dihydroxyisoflavone|BRN 0231523|Daidzein|Daidzeol|Daidzin aglycone|EC No.: 207-635-4|EINECS 207-635-4|FW 635I-1|Isoaurostatin|Isoflavone, 4',7-dihydroxy-|Isoflavone, 4',7-dihydroxy- (8CI)|K 251b|NPI 031E|UNII-6287WC5J2L https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022310 https://doi.org/10.22427/NTP-DATA-DTXSID9022310
ERPathway2016 ERPathway2016_162 Daidzein 486-66-8 DTXSID9022310 Agonist ER Pathway Model, Antagonist AC50 1.27680398815463 uM [H]C1=CC(O)=CC2=C1C(=O)C(=CO2)C1=CC=C(O)C=C1 Daidzein 486-66-8|Daidzein|207-635-4|4',7-Dihydroxy-Isoflavone|4',7-Dihydroxyisoflavone|4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-|5-18-04-00089|7-hidroxi-3-(4-hidroxifenil)-4-benzopirona|7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyron|7-hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|7,4'-Dihydroxyisoflavone|BRN 0231523|Daidzein|Daidzeol|Daidzin aglycone|EC No.: 207-635-4|EINECS 207-635-4|FW 635I-1|Isoaurostatin|Isoflavone, 4',7-dihydroxy-|Isoflavone, 4',7-dihydroxy- (8CI)|K 251b|NPI 031E|UNII-6287WC5J2L https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022310 https://doi.org/10.22427/NTP-DATA-DTXSID9022310
ERPathway2016 ERPathway2016_162 Daidzein 486-66-8 DTXSID9022310 Agonist ER Pathway Model, Antagonist ACC 0.218386728108613 uM [H]C1=CC(O)=CC2=C1C(=O)C(=CO2)C1=CC=C(O)C=C1 Daidzein 486-66-8|Daidzein|207-635-4|4',7-Dihydroxy-Isoflavone|4',7-Dihydroxyisoflavone|4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-|5-18-04-00089|7-hidroxi-3-(4-hidroxifenil)-4-benzopirona|7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyron|7-hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|7,4'-Dihydroxyisoflavone|BRN 0231523|Daidzein|Daidzeol|Daidzin aglycone|EC No.: 207-635-4|EINECS 207-635-4|FW 635I-1|Isoaurostatin|Isoflavone, 4',7-dihydroxy-|Isoflavone, 4',7-dihydroxy- (8CI)|K 251b|NPI 031E|UNII-6287WC5J2L https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022310 https://doi.org/10.22427/NTP-DATA-DTXSID9022310
ERPathway2016 ERPathway2016_162 Daidzein 486-66-8 DTXSID9022310 Agonist ER Pathway Model, Agonist Model Score 0.44 Unitless [H]C1=CC(O)=CC2=C1C(=O)C(=CO2)C1=CC=C(O)C=C1 Daidzein 486-66-8|Daidzein|207-635-4|4',7-Dihydroxy-Isoflavone|4',7-Dihydroxyisoflavone|4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-|5-18-04-00089|7-hidroxi-3-(4-hidroxifenil)-4-benzopirona|7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyron|7-hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|7,4'-Dihydroxyisoflavone|BRN 0231523|Daidzein|Daidzeol|Daidzin aglycone|EC No.: 207-635-4|EINECS 207-635-4|FW 635I-1|Isoaurostatin|Isoflavone, 4',7-dihydroxy-|Isoflavone, 4',7-dihydroxy- (8CI)|K 251b|NPI 031E|UNII-6287WC5J2L https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022310 https://doi.org/10.22427/NTP-DATA-DTXSID9022310
ERPathway2016 ERPathway2016_162 Daidzein 486-66-8 DTXSID9022310 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless [H]C1=CC(O)=CC2=C1C(=O)C(=CO2)C1=CC=C(O)C=C1 Daidzein 486-66-8|Daidzein|207-635-4|4',7-Dihydroxy-Isoflavone|4',7-Dihydroxyisoflavone|4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-|5-18-04-00089|7-hidroxi-3-(4-hidroxifenil)-4-benzopirona|7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyron|7-hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|7,4'-Dihydroxyisoflavone|BRN 0231523|Daidzein|Daidzeol|Daidzin aglycone|EC No.: 207-635-4|EINECS 207-635-4|FW 635I-1|Isoaurostatin|Isoflavone, 4',7-dihydroxy-|Isoflavone, 4',7-dihydroxy- (8CI)|K 251b|NPI 031E|UNII-6287WC5J2L https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022310 https://doi.org/10.22427/NTP-DATA-DTXSID9022310
ERPathway2016 ERPathway2016_162 Daidzein 486-66-8 DTXSID9022310 Agonist ER Pathway Model, Agonist Call Inactive Unitless [H]C1=CC(O)=CC2=C1C(=O)C(=CO2)C1=CC=C(O)C=C1 Daidzein 486-66-8|Daidzein|207-635-4|4',7-Dihydroxy-Isoflavone|4',7-Dihydroxyisoflavone|4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-|5-18-04-00089|7-hidroxi-3-(4-hidroxifenil)-4-benzopirona|7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyron|7-hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|7,4'-Dihydroxyisoflavone|BRN 0231523|Daidzein|Daidzeol|Daidzin aglycone|EC No.: 207-635-4|EINECS 207-635-4|FW 635I-1|Isoaurostatin|Isoflavone, 4',7-dihydroxy-|Isoflavone, 4',7-dihydroxy- (8CI)|K 251b|NPI 031E|UNII-6287WC5J2L https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022310 https://doi.org/10.22427/NTP-DATA-DTXSID9022310
ERPathway2016 ERPathway2016_162 Daidzein 486-66-8 DTXSID9022310 Agonist ER Pathway Model, Antagonist Call Active Unitless [H]C1=CC(O)=CC2=C1C(=O)C(=CO2)C1=CC=C(O)C=C1 Daidzein 486-66-8|Daidzein|207-635-4|4',7-Dihydroxy-Isoflavone|4',7-Dihydroxyisoflavone|4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-|5-18-04-00089|7-hidroxi-3-(4-hidroxifenil)-4-benzopirona|7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyron|7-hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|7,4'-Dihydroxyisoflavone|BRN 0231523|Daidzein|Daidzeol|Daidzin aglycone|EC No.: 207-635-4|EINECS 207-635-4|FW 635I-1|Isoaurostatin|Isoflavone, 4',7-dihydroxy-|Isoflavone, 4',7-dihydroxy- (8CI)|K 251b|NPI 031E|UNII-6287WC5J2L https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022310 https://doi.org/10.22427/NTP-DATA-DTXSID9022310
ARPathway2016 ARPathway2016_1532 Dalapon 75-99-0 DTXSID2021575 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(Cl)(Cl)C(O)=O Dalapon 75-99-0|Dalapon|2,2-Dichloropropanoic acid|2,2-dichloropropionic acid|2,2-Dichlorpropionsaure|2,2-DPA|4-02-00-00753|Acide 2,2-dichloropropionique|acido 2,2-dicloropropionico|alpha,alpha-Dichloropropionic acid|Basfapon B|Basfapon/basfapon N|Basinex P|BH dalapon|BRN 1750149|Caswell No. 273|Crisapon|D-Granulat|Dalascam|Dawpon-Rae|Dowpon M|Dowpon NF|EINECS 200-923-0|EPA Pesticide Chemical Code 028901|Kenapon|Kyselina 2,2-dichlorpropionova|Liropon|NSC 56352|Propanoic acid, 2,2-dichloro-|PROPIONIC ACID, 2,2-DICHLORO-|Proprop|Revenge|Sys-Omnidel|UNII-VO6PY8ZMRW|a,a-Dichloropropanoic acid|a,a-Dichloropropionic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021575
ARPathway2016 ARPathway2016_1532 Dalapon 75-99-0 DTXSID2021575 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(Cl)(Cl)C(O)=O Dalapon 75-99-0|Dalapon|2,2-Dichloropropanoic acid|2,2-dichloropropionic acid|2,2-Dichlorpropionsaure|2,2-DPA|4-02-00-00753|Acide 2,2-dichloropropionique|acido 2,2-dicloropropionico|alpha,alpha-Dichloropropionic acid|Basfapon B|Basfapon/basfapon N|Basinex P|BH dalapon|BRN 1750149|Caswell No. 273|Crisapon|D-Granulat|Dalascam|Dawpon-Rae|Dowpon M|Dowpon NF|EINECS 200-923-0|EPA Pesticide Chemical Code 028901|Kenapon|Kyselina 2,2-dichlorpropionova|Liropon|NSC 56352|Propanoic acid, 2,2-dichloro-|PROPIONIC ACID, 2,2-DICHLORO-|Proprop|Revenge|Sys-Omnidel|UNII-VO6PY8ZMRW|a,a-Dichloropropanoic acid|a,a-Dichloropropionic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021575
ARPathway2016 ARPathway2016_1532 Dalapon 75-99-0 DTXSID2021575 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(Cl)(Cl)C(O)=O Dalapon 75-99-0|Dalapon|2,2-Dichloropropanoic acid|2,2-dichloropropionic acid|2,2-Dichlorpropionsaure|2,2-DPA|4-02-00-00753|Acide 2,2-dichloropropionique|acido 2,2-dicloropropionico|alpha,alpha-Dichloropropionic acid|Basfapon B|Basfapon/basfapon N|Basinex P|BH dalapon|BRN 1750149|Caswell No. 273|Crisapon|D-Granulat|Dalascam|Dawpon-Rae|Dowpon M|Dowpon NF|EINECS 200-923-0|EPA Pesticide Chemical Code 028901|Kenapon|Kyselina 2,2-dichlorpropionova|Liropon|NSC 56352|Propanoic acid, 2,2-dichloro-|PROPIONIC ACID, 2,2-DICHLORO-|Proprop|Revenge|Sys-Omnidel|UNII-VO6PY8ZMRW|a,a-Dichloropropanoic acid|a,a-Dichloropropionic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021575
ARPathway2016 ARPathway2016_1532 Dalapon 75-99-0 DTXSID2021575 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(Cl)(Cl)C(O)=O Dalapon 75-99-0|Dalapon|2,2-Dichloropropanoic acid|2,2-dichloropropionic acid|2,2-Dichlorpropionsaure|2,2-DPA|4-02-00-00753|Acide 2,2-dichloropropionique|acido 2,2-dicloropropionico|alpha,alpha-Dichloropropionic acid|Basfapon B|Basfapon/basfapon N|Basinex P|BH dalapon|BRN 1750149|Caswell No. 273|Crisapon|D-Granulat|Dalascam|Dawpon-Rae|Dowpon M|Dowpon NF|EINECS 200-923-0|EPA Pesticide Chemical Code 028901|Kenapon|Kyselina 2,2-dichlorpropionova|Liropon|NSC 56352|Propanoic acid, 2,2-dichloro-|PROPIONIC ACID, 2,2-DICHLORO-|Proprop|Revenge|Sys-Omnidel|UNII-VO6PY8ZMRW|a,a-Dichloropropanoic acid|a,a-Dichloropropionic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021575
ERPathway2016 ERPathway2016_1640 Dalapon 75-99-0 DTXSID2021575 ER Pathway Model, Agonist Model Score 0 Unitless CC(Cl)(Cl)C(O)=O Dalapon 75-99-0|Dalapon|2,2-Dichloropropanoic acid|2,2-dichloropropionic acid|2,2-Dichlorpropionsaure|2,2-DPA|4-02-00-00753|Acide 2,2-dichloropropionique|acido 2,2-dicloropropionico|alpha,alpha-Dichloropropionic acid|Basfapon B|Basfapon/basfapon N|Basinex P|BH dalapon|BRN 1750149|Caswell No. 273|Crisapon|D-Granulat|Dalascam|Dawpon-Rae|Dowpon M|Dowpon NF|EINECS 200-923-0|EPA Pesticide Chemical Code 028901|Kenapon|Kyselina 2,2-dichlorpropionova|Liropon|NSC 56352|Propanoic acid, 2,2-dichloro-|PROPIONIC ACID, 2,2-DICHLORO-|Proprop|Revenge|Sys-Omnidel|UNII-VO6PY8ZMRW|a,a-Dichloropropanoic acid|a,a-Dichloropropionic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021575
ERPathway2016 ERPathway2016_1640 Dalapon 75-99-0 DTXSID2021575 ER Pathway Model, Antagonist Model Score 0 Unitless CC(Cl)(Cl)C(O)=O Dalapon 75-99-0|Dalapon|2,2-Dichloropropanoic acid|2,2-dichloropropionic acid|2,2-Dichlorpropionsaure|2,2-DPA|4-02-00-00753|Acide 2,2-dichloropropionique|acido 2,2-dicloropropionico|alpha,alpha-Dichloropropionic acid|Basfapon B|Basfapon/basfapon N|Basinex P|BH dalapon|BRN 1750149|Caswell No. 273|Crisapon|D-Granulat|Dalascam|Dawpon-Rae|Dowpon M|Dowpon NF|EINECS 200-923-0|EPA Pesticide Chemical Code 028901|Kenapon|Kyselina 2,2-dichlorpropionova|Liropon|NSC 56352|Propanoic acid, 2,2-dichloro-|PROPIONIC ACID, 2,2-DICHLORO-|Proprop|Revenge|Sys-Omnidel|UNII-VO6PY8ZMRW|a,a-Dichloropropanoic acid|a,a-Dichloropropionic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021575
ERPathway2016 ERPathway2016_1640 Dalapon 75-99-0 DTXSID2021575 ER Pathway Model, Agonist Call Inactive Unitless CC(Cl)(Cl)C(O)=O Dalapon 75-99-0|Dalapon|2,2-Dichloropropanoic acid|2,2-dichloropropionic acid|2,2-Dichlorpropionsaure|2,2-DPA|4-02-00-00753|Acide 2,2-dichloropropionique|acido 2,2-dicloropropionico|alpha,alpha-Dichloropropionic acid|Basfapon B|Basfapon/basfapon N|Basinex P|BH dalapon|BRN 1750149|Caswell No. 273|Crisapon|D-Granulat|Dalascam|Dawpon-Rae|Dowpon M|Dowpon NF|EINECS 200-923-0|EPA Pesticide Chemical Code 028901|Kenapon|Kyselina 2,2-dichlorpropionova|Liropon|NSC 56352|Propanoic acid, 2,2-dichloro-|PROPIONIC ACID, 2,2-DICHLORO-|Proprop|Revenge|Sys-Omnidel|UNII-VO6PY8ZMRW|a,a-Dichloropropanoic acid|a,a-Dichloropropionic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021575
ERPathway2016 ERPathway2016_1640 Dalapon 75-99-0 DTXSID2021575 ER Pathway Model, Antagonist Call Inactive Unitless CC(Cl)(Cl)C(O)=O Dalapon 75-99-0|Dalapon|2,2-Dichloropropanoic acid|2,2-dichloropropionic acid|2,2-Dichlorpropionsaure|2,2-DPA|4-02-00-00753|Acide 2,2-dichloropropionique|acido 2,2-dicloropropionico|alpha,alpha-Dichloropropionic acid|Basfapon B|Basfapon/basfapon N|Basinex P|BH dalapon|BRN 1750149|Caswell No. 273|Crisapon|D-Granulat|Dalascam|Dawpon-Rae|Dowpon M|Dowpon NF|EINECS 200-923-0|EPA Pesticide Chemical Code 028901|Kenapon|Kyselina 2,2-dichlorpropionova|Liropon|NSC 56352|Propanoic acid, 2,2-dichloro-|PROPIONIC ACID, 2,2-DICHLORO-|Proprop|Revenge|Sys-Omnidel|UNII-VO6PY8ZMRW|a,a-Dichloropropanoic acid|a,a-Dichloropropionic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021575
ARPathway2016 ARPathway2016_907 Daminozide 1596-84-5 DTXSID9020370 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)NC(=O)CCC(O)=O Daminozide 1596-84-5|Daminozide|2,2-Dimethylhydrazid kyseliny jantarove|Alar|Aminozid|Aminozide|Bernsteinsaeure-2,2-dimethylhydrazid|BRN 1863230|Butanedioic acid mono(2,2-dimethylhydrazide)|Butanedioic acid, 1-(2,2-dimethylhydrazide)|Butanedioic acid, mono(2,2-dimethylhydrazide)|Caswell No. 808|Daminozid|daminozida|Dimethylaminosuccinamic acid|EINECS 216-485-9|EPA Pesticide Chemical Code 035101|N-(Dimethylamino)succinamic acid|N-Dimethylamino-beta-carbamylpropionic acid|N-Dimethylamino-succinamidsaeure|NCI-C03827|Succinic 1,1-dimethyl hydrazide|Succinic acid 2,2-dimethylhydrazide|Succinic acid 2,2-dimethylhydrazine|Succinic acid N,N-dimethylhydrazide|Succinic acid, mono(2,2-dimethylhydrazide)|Succinic N',N'-dimethylhydrazide|UNII-F6KF33M5UB|1861-26-3|74913-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020370 https://doi.org/10.22427/NTP-DATA-DTXSID9020370
ARPathway2016 ARPathway2016_907 Daminozide 1596-84-5 DTXSID9020370 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)NC(=O)CCC(O)=O Daminozide 1596-84-5|Daminozide|2,2-Dimethylhydrazid kyseliny jantarove|Alar|Aminozid|Aminozide|Bernsteinsaeure-2,2-dimethylhydrazid|BRN 1863230|Butanedioic acid mono(2,2-dimethylhydrazide)|Butanedioic acid, 1-(2,2-dimethylhydrazide)|Butanedioic acid, mono(2,2-dimethylhydrazide)|Caswell No. 808|Daminozid|daminozida|Dimethylaminosuccinamic acid|EINECS 216-485-9|EPA Pesticide Chemical Code 035101|N-(Dimethylamino)succinamic acid|N-Dimethylamino-beta-carbamylpropionic acid|N-Dimethylamino-succinamidsaeure|NCI-C03827|Succinic 1,1-dimethyl hydrazide|Succinic acid 2,2-dimethylhydrazide|Succinic acid 2,2-dimethylhydrazine|Succinic acid N,N-dimethylhydrazide|Succinic acid, mono(2,2-dimethylhydrazide)|Succinic N',N'-dimethylhydrazide|UNII-F6KF33M5UB|1861-26-3|74913-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020370 https://doi.org/10.22427/NTP-DATA-DTXSID9020370
ARPathway2016 ARPathway2016_907 Daminozide 1596-84-5 DTXSID9020370 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN(C)NC(=O)CCC(O)=O Daminozide 1596-84-5|Daminozide|2,2-Dimethylhydrazid kyseliny jantarove|Alar|Aminozid|Aminozide|Bernsteinsaeure-2,2-dimethylhydrazid|BRN 1863230|Butanedioic acid mono(2,2-dimethylhydrazide)|Butanedioic acid, 1-(2,2-dimethylhydrazide)|Butanedioic acid, mono(2,2-dimethylhydrazide)|Caswell No. 808|Daminozid|daminozida|Dimethylaminosuccinamic acid|EINECS 216-485-9|EPA Pesticide Chemical Code 035101|N-(Dimethylamino)succinamic acid|N-Dimethylamino-beta-carbamylpropionic acid|N-Dimethylamino-succinamidsaeure|NCI-C03827|Succinic 1,1-dimethyl hydrazide|Succinic acid 2,2-dimethylhydrazide|Succinic acid 2,2-dimethylhydrazine|Succinic acid N,N-dimethylhydrazide|Succinic acid, mono(2,2-dimethylhydrazide)|Succinic N',N'-dimethylhydrazide|UNII-F6KF33M5UB|1861-26-3|74913-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020370 https://doi.org/10.22427/NTP-DATA-DTXSID9020370
ARPathway2016 ARPathway2016_907 Daminozide 1596-84-5 DTXSID9020370 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)NC(=O)CCC(O)=O Daminozide 1596-84-5|Daminozide|2,2-Dimethylhydrazid kyseliny jantarove|Alar|Aminozid|Aminozide|Bernsteinsaeure-2,2-dimethylhydrazid|BRN 1863230|Butanedioic acid mono(2,2-dimethylhydrazide)|Butanedioic acid, 1-(2,2-dimethylhydrazide)|Butanedioic acid, mono(2,2-dimethylhydrazide)|Caswell No. 808|Daminozid|daminozida|Dimethylaminosuccinamic acid|EINECS 216-485-9|EPA Pesticide Chemical Code 035101|N-(Dimethylamino)succinamic acid|N-Dimethylamino-beta-carbamylpropionic acid|N-Dimethylamino-succinamidsaeure|NCI-C03827|Succinic 1,1-dimethyl hydrazide|Succinic acid 2,2-dimethylhydrazide|Succinic acid 2,2-dimethylhydrazine|Succinic acid N,N-dimethylhydrazide|Succinic acid, mono(2,2-dimethylhydrazide)|Succinic N',N'-dimethylhydrazide|UNII-F6KF33M5UB|1861-26-3|74913-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020370 https://doi.org/10.22427/NTP-DATA-DTXSID9020370
ERPathway2016 ERPathway2016_304 Daminozide 1596-84-5 DTXSID9020370 ER Pathway Model, Antagonist AC50 19.1763191442608 uM CN(C)NC(=O)CCC(O)=O Daminozide 1596-84-5|Daminozide|2,2-Dimethylhydrazid kyseliny jantarove|Alar|Aminozid|Aminozide|Bernsteinsaeure-2,2-dimethylhydrazid|BRN 1863230|Butanedioic acid mono(2,2-dimethylhydrazide)|Butanedioic acid, 1-(2,2-dimethylhydrazide)|Butanedioic acid, mono(2,2-dimethylhydrazide)|Caswell No. 808|Daminozid|daminozida|Dimethylaminosuccinamic acid|EINECS 216-485-9|EPA Pesticide Chemical Code 035101|N-(Dimethylamino)succinamic acid|N-Dimethylamino-beta-carbamylpropionic acid|N-Dimethylamino-succinamidsaeure|NCI-C03827|Succinic 1,1-dimethyl hydrazide|Succinic acid 2,2-dimethylhydrazide|Succinic acid 2,2-dimethylhydrazine|Succinic acid N,N-dimethylhydrazide|Succinic acid, mono(2,2-dimethylhydrazide)|Succinic N',N'-dimethylhydrazide|UNII-F6KF33M5UB|1861-26-3|74913-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020370 https://doi.org/10.22427/NTP-DATA-DTXSID9020370
ERPathway2016 ERPathway2016_304 Daminozide 1596-84-5 DTXSID9020370 ER Pathway Model, Antagonist ACC 20.8101550134562 uM CN(C)NC(=O)CCC(O)=O Daminozide 1596-84-5|Daminozide|2,2-Dimethylhydrazid kyseliny jantarove|Alar|Aminozid|Aminozide|Bernsteinsaeure-2,2-dimethylhydrazid|BRN 1863230|Butanedioic acid mono(2,2-dimethylhydrazide)|Butanedioic acid, 1-(2,2-dimethylhydrazide)|Butanedioic acid, mono(2,2-dimethylhydrazide)|Caswell No. 808|Daminozid|daminozida|Dimethylaminosuccinamic acid|EINECS 216-485-9|EPA Pesticide Chemical Code 035101|N-(Dimethylamino)succinamic acid|N-Dimethylamino-beta-carbamylpropionic acid|N-Dimethylamino-succinamidsaeure|NCI-C03827|Succinic 1,1-dimethyl hydrazide|Succinic acid 2,2-dimethylhydrazide|Succinic acid 2,2-dimethylhydrazine|Succinic acid N,N-dimethylhydrazide|Succinic acid, mono(2,2-dimethylhydrazide)|Succinic N',N'-dimethylhydrazide|UNII-F6KF33M5UB|1861-26-3|74913-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020370 https://doi.org/10.22427/NTP-DATA-DTXSID9020370
ERPathway2016 ERPathway2016_304 Daminozide 1596-84-5 DTXSID9020370 ER Pathway Model, Agonist Model Score 0.0318 Unitless CN(C)NC(=O)CCC(O)=O Daminozide 1596-84-5|Daminozide|2,2-Dimethylhydrazid kyseliny jantarove|Alar|Aminozid|Aminozide|Bernsteinsaeure-2,2-dimethylhydrazid|BRN 1863230|Butanedioic acid mono(2,2-dimethylhydrazide)|Butanedioic acid, 1-(2,2-dimethylhydrazide)|Butanedioic acid, mono(2,2-dimethylhydrazide)|Caswell No. 808|Daminozid|daminozida|Dimethylaminosuccinamic acid|EINECS 216-485-9|EPA Pesticide Chemical Code 035101|N-(Dimethylamino)succinamic acid|N-Dimethylamino-beta-carbamylpropionic acid|N-Dimethylamino-succinamidsaeure|NCI-C03827|Succinic 1,1-dimethyl hydrazide|Succinic acid 2,2-dimethylhydrazide|Succinic acid 2,2-dimethylhydrazine|Succinic acid N,N-dimethylhydrazide|Succinic acid, mono(2,2-dimethylhydrazide)|Succinic N',N'-dimethylhydrazide|UNII-F6KF33M5UB|1861-26-3|74913-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020370 https://doi.org/10.22427/NTP-DATA-DTXSID9020370
ERPathway2016 ERPathway2016_304 Daminozide 1596-84-5 DTXSID9020370 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)NC(=O)CCC(O)=O Daminozide 1596-84-5|Daminozide|2,2-Dimethylhydrazid kyseliny jantarove|Alar|Aminozid|Aminozide|Bernsteinsaeure-2,2-dimethylhydrazid|BRN 1863230|Butanedioic acid mono(2,2-dimethylhydrazide)|Butanedioic acid, 1-(2,2-dimethylhydrazide)|Butanedioic acid, mono(2,2-dimethylhydrazide)|Caswell No. 808|Daminozid|daminozida|Dimethylaminosuccinamic acid|EINECS 216-485-9|EPA Pesticide Chemical Code 035101|N-(Dimethylamino)succinamic acid|N-Dimethylamino-beta-carbamylpropionic acid|N-Dimethylamino-succinamidsaeure|NCI-C03827|Succinic 1,1-dimethyl hydrazide|Succinic acid 2,2-dimethylhydrazide|Succinic acid 2,2-dimethylhydrazine|Succinic acid N,N-dimethylhydrazide|Succinic acid, mono(2,2-dimethylhydrazide)|Succinic N',N'-dimethylhydrazide|UNII-F6KF33M5UB|1861-26-3|74913-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020370 https://doi.org/10.22427/NTP-DATA-DTXSID9020370
ERPathway2016 ERPathway2016_304 Daminozide 1596-84-5 DTXSID9020370 ER Pathway Model, Agonist Call Inactive Unitless CN(C)NC(=O)CCC(O)=O Daminozide 1596-84-5|Daminozide|2,2-Dimethylhydrazid kyseliny jantarove|Alar|Aminozid|Aminozide|Bernsteinsaeure-2,2-dimethylhydrazid|BRN 1863230|Butanedioic acid mono(2,2-dimethylhydrazide)|Butanedioic acid, 1-(2,2-dimethylhydrazide)|Butanedioic acid, mono(2,2-dimethylhydrazide)|Caswell No. 808|Daminozid|daminozida|Dimethylaminosuccinamic acid|EINECS 216-485-9|EPA Pesticide Chemical Code 035101|N-(Dimethylamino)succinamic acid|N-Dimethylamino-beta-carbamylpropionic acid|N-Dimethylamino-succinamidsaeure|NCI-C03827|Succinic 1,1-dimethyl hydrazide|Succinic acid 2,2-dimethylhydrazide|Succinic acid 2,2-dimethylhydrazine|Succinic acid N,N-dimethylhydrazide|Succinic acid, mono(2,2-dimethylhydrazide)|Succinic N',N'-dimethylhydrazide|UNII-F6KF33M5UB|1861-26-3|74913-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020370 https://doi.org/10.22427/NTP-DATA-DTXSID9020370
ERPathway2016 ERPathway2016_304 Daminozide 1596-84-5 DTXSID9020370 ER Pathway Model, Antagonist Call Active Unitless CN(C)NC(=O)CCC(O)=O Daminozide 1596-84-5|Daminozide|2,2-Dimethylhydrazid kyseliny jantarove|Alar|Aminozid|Aminozide|Bernsteinsaeure-2,2-dimethylhydrazid|BRN 1863230|Butanedioic acid mono(2,2-dimethylhydrazide)|Butanedioic acid, 1-(2,2-dimethylhydrazide)|Butanedioic acid, mono(2,2-dimethylhydrazide)|Caswell No. 808|Daminozid|daminozida|Dimethylaminosuccinamic acid|EINECS 216-485-9|EPA Pesticide Chemical Code 035101|N-(Dimethylamino)succinamic acid|N-Dimethylamino-beta-carbamylpropionic acid|N-Dimethylamino-succinamidsaeure|NCI-C03827|Succinic 1,1-dimethyl hydrazide|Succinic acid 2,2-dimethylhydrazide|Succinic acid 2,2-dimethylhydrazine|Succinic acid N,N-dimethylhydrazide|Succinic acid, mono(2,2-dimethylhydrazide)|Succinic N',N'-dimethylhydrazide|UNII-F6KF33M5UB|1861-26-3|74913-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020370 https://doi.org/10.22427/NTP-DATA-DTXSID9020370
ARPathway2016 ARPathway2016_1599 Dapsone 80-08-0 DTXSID4020371 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1 Dapsone 80-08-0|Dapsone|1,1'-Sulfonylbis(4-aminobenzene)|1,1'-Sulfonylbis[4-aminobenzene]|1,1'-Sulphonylbis(4-aminobenzene)|4-Aminophenyl sulfone|4,4-Diaminodifenylsulfon|4,4'-Dapsone|4,4'-Diaminodiphenyl sulfone|4,4'-Diaminodiphenyl sulphone|4,4'-Diaminodiphenyl suphone|4,4'-DIAMINODIPHENYLSULFON|4,4'-Sulfonylbisaniline|4,4'-Sulfonylbisbenzamine|4,4'-Sulfonylbisbenzenamine|4,4'-Sulfonyldianiline|4,4'-Sulfonyldiphenylamine|4,4'-Sulphonylbisbenzamine|4,4'-Sulphonylbisbenzenamine|4,4'-Sulphonyldianiline|Aniline, 4,4'-sulfonyldi-|Aradur 976-1|Araldite HT 976|Avlosulfon|Avlosulfone|Avlosulphone|Benzenamine, 4,4'-sulfonylbis-|Bis(4-aminophenyl) sulfone|Bis(4-aminophenyl)sulphone|Bis(p-aminophenyl) sulfone|Bis(p-aminophenyl)sulphone|BRN 0788055|Croysulfone|Croysulphone|DADPS|Dapsona|Dapsone|Dapsonum|DDS|Di(4-aminophenyl) sulfone|Di(4-aminophenyl)sulfone|Di(4-aminophenyl)sulphone|Di(p-aminophenyl) sulfone|Di(p-aminophenyl)sulphone|Diamino-4,4'-diphenyl sulfone|Diamino-4,4'-diphenyl sulphone|Diaminodifenilsulfona|Diaminodiphenyl sulfone|Dia|1246638-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020371 https://doi.org/10.22427/NTP-DATA-DTXSID4020371
ARPathway2016 ARPathway2016_1599 Dapsone 80-08-0 DTXSID4020371 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1 Dapsone 80-08-0|Dapsone|1,1'-Sulfonylbis(4-aminobenzene)|1,1'-Sulfonylbis[4-aminobenzene]|1,1'-Sulphonylbis(4-aminobenzene)|4-Aminophenyl sulfone|4,4-Diaminodifenylsulfon|4,4'-Dapsone|4,4'-Diaminodiphenyl sulfone|4,4'-Diaminodiphenyl sulphone|4,4'-Diaminodiphenyl suphone|4,4'-DIAMINODIPHENYLSULFON|4,4'-Sulfonylbisaniline|4,4'-Sulfonylbisbenzamine|4,4'-Sulfonylbisbenzenamine|4,4'-Sulfonyldianiline|4,4'-Sulfonyldiphenylamine|4,4'-Sulphonylbisbenzamine|4,4'-Sulphonylbisbenzenamine|4,4'-Sulphonyldianiline|Aniline, 4,4'-sulfonyldi-|Aradur 976-1|Araldite HT 976|Avlosulfon|Avlosulfone|Avlosulphone|Benzenamine, 4,4'-sulfonylbis-|Bis(4-aminophenyl) sulfone|Bis(4-aminophenyl)sulphone|Bis(p-aminophenyl) sulfone|Bis(p-aminophenyl)sulphone|BRN 0788055|Croysulfone|Croysulphone|DADPS|Dapsona|Dapsone|Dapsonum|DDS|Di(4-aminophenyl) sulfone|Di(4-aminophenyl)sulfone|Di(4-aminophenyl)sulphone|Di(p-aminophenyl) sulfone|Di(p-aminophenyl)sulphone|Diamino-4,4'-diphenyl sulfone|Diamino-4,4'-diphenyl sulphone|Diaminodifenilsulfona|Diaminodiphenyl sulfone|Dia|1246638-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020371 https://doi.org/10.22427/NTP-DATA-DTXSID4020371
ARPathway2016 ARPathway2016_1599 Dapsone 80-08-0 DTXSID4020371 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1 Dapsone 80-08-0|Dapsone|1,1'-Sulfonylbis(4-aminobenzene)|1,1'-Sulfonylbis[4-aminobenzene]|1,1'-Sulphonylbis(4-aminobenzene)|4-Aminophenyl sulfone|4,4-Diaminodifenylsulfon|4,4'-Dapsone|4,4'-Diaminodiphenyl sulfone|4,4'-Diaminodiphenyl sulphone|4,4'-Diaminodiphenyl suphone|4,4'-DIAMINODIPHENYLSULFON|4,4'-Sulfonylbisaniline|4,4'-Sulfonylbisbenzamine|4,4'-Sulfonylbisbenzenamine|4,4'-Sulfonyldianiline|4,4'-Sulfonyldiphenylamine|4,4'-Sulphonylbisbenzamine|4,4'-Sulphonylbisbenzenamine|4,4'-Sulphonyldianiline|Aniline, 4,4'-sulfonyldi-|Aradur 976-1|Araldite HT 976|Avlosulfon|Avlosulfone|Avlosulphone|Benzenamine, 4,4'-sulfonylbis-|Bis(4-aminophenyl) sulfone|Bis(4-aminophenyl)sulphone|Bis(p-aminophenyl) sulfone|Bis(p-aminophenyl)sulphone|BRN 0788055|Croysulfone|Croysulphone|DADPS|Dapsona|Dapsone|Dapsonum|DDS|Di(4-aminophenyl) sulfone|Di(4-aminophenyl)sulfone|Di(4-aminophenyl)sulphone|Di(p-aminophenyl) sulfone|Di(p-aminophenyl)sulphone|Diamino-4,4'-diphenyl sulfone|Diamino-4,4'-diphenyl sulphone|Diaminodifenilsulfona|Diaminodiphenyl sulfone|Dia|1246638-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020371 https://doi.org/10.22427/NTP-DATA-DTXSID4020371
ARPathway2016 ARPathway2016_1599 Dapsone 80-08-0 DTXSID4020371 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1 Dapsone 80-08-0|Dapsone|1,1'-Sulfonylbis(4-aminobenzene)|1,1'-Sulfonylbis[4-aminobenzene]|1,1'-Sulphonylbis(4-aminobenzene)|4-Aminophenyl sulfone|4,4-Diaminodifenylsulfon|4,4'-Dapsone|4,4'-Diaminodiphenyl sulfone|4,4'-Diaminodiphenyl sulphone|4,4'-Diaminodiphenyl suphone|4,4'-DIAMINODIPHENYLSULFON|4,4'-Sulfonylbisaniline|4,4'-Sulfonylbisbenzamine|4,4'-Sulfonylbisbenzenamine|4,4'-Sulfonyldianiline|4,4'-Sulfonyldiphenylamine|4,4'-Sulphonylbisbenzamine|4,4'-Sulphonylbisbenzenamine|4,4'-Sulphonyldianiline|Aniline, 4,4'-sulfonyldi-|Aradur 976-1|Araldite HT 976|Avlosulfon|Avlosulfone|Avlosulphone|Benzenamine, 4,4'-sulfonylbis-|Bis(4-aminophenyl) sulfone|Bis(4-aminophenyl)sulphone|Bis(p-aminophenyl) sulfone|Bis(p-aminophenyl)sulphone|BRN 0788055|Croysulfone|Croysulphone|DADPS|Dapsona|Dapsone|Dapsonum|DDS|Di(4-aminophenyl) sulfone|Di(4-aminophenyl)sulfone|Di(4-aminophenyl)sulphone|Di(p-aminophenyl) sulfone|Di(p-aminophenyl)sulphone|Diamino-4,4'-diphenyl sulfone|Diamino-4,4'-diphenyl sulphone|Diaminodifenilsulfona|Diaminodiphenyl sulfone|Dia|1246638-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020371 https://doi.org/10.22427/NTP-DATA-DTXSID4020371
ERPathway2016 ERPathway2016_481 Dapsone 80-08-0 DTXSID4020371 ER Pathway Model, Antagonist AC50 77.4819479056175 uM NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1 Dapsone 80-08-0|Dapsone|1,1'-Sulfonylbis(4-aminobenzene)|1,1'-Sulfonylbis[4-aminobenzene]|1,1'-Sulphonylbis(4-aminobenzene)|4-Aminophenyl sulfone|4,4-Diaminodifenylsulfon|4,4'-Dapsone|4,4'-Diaminodiphenyl sulfone|4,4'-Diaminodiphenyl sulphone|4,4'-Diaminodiphenyl suphone|4,4'-DIAMINODIPHENYLSULFON|4,4'-Sulfonylbisaniline|4,4'-Sulfonylbisbenzamine|4,4'-Sulfonylbisbenzenamine|4,4'-Sulfonyldianiline|4,4'-Sulfonyldiphenylamine|4,4'-Sulphonylbisbenzamine|4,4'-Sulphonylbisbenzenamine|4,4'-Sulphonyldianiline|Aniline, 4,4'-sulfonyldi-|Aradur 976-1|Araldite HT 976|Avlosulfon|Avlosulfone|Avlosulphone|Benzenamine, 4,4'-sulfonylbis-|Bis(4-aminophenyl) sulfone|Bis(4-aminophenyl)sulphone|Bis(p-aminophenyl) sulfone|Bis(p-aminophenyl)sulphone|BRN 0788055|Croysulfone|Croysulphone|DADPS|Dapsona|Dapsone|Dapsonum|DDS|Di(4-aminophenyl) sulfone|Di(4-aminophenyl)sulfone|Di(4-aminophenyl)sulphone|Di(p-aminophenyl) sulfone|Di(p-aminophenyl)sulphone|Diamino-4,4'-diphenyl sulfone|Diamino-4,4'-diphenyl sulphone|Diaminodifenilsulfona|Diaminodiphenyl sulfone|Dia|1246638-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020371 https://doi.org/10.22427/NTP-DATA-DTXSID4020371
ERPathway2016 ERPathway2016_481 Dapsone 80-08-0 DTXSID4020371 ER Pathway Model, Antagonist ACC 75.597587655483 uM NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1 Dapsone 80-08-0|Dapsone|1,1'-Sulfonylbis(4-aminobenzene)|1,1'-Sulfonylbis[4-aminobenzene]|1,1'-Sulphonylbis(4-aminobenzene)|4-Aminophenyl sulfone|4,4-Diaminodifenylsulfon|4,4'-Dapsone|4,4'-Diaminodiphenyl sulfone|4,4'-Diaminodiphenyl sulphone|4,4'-Diaminodiphenyl suphone|4,4'-DIAMINODIPHENYLSULFON|4,4'-Sulfonylbisaniline|4,4'-Sulfonylbisbenzamine|4,4'-Sulfonylbisbenzenamine|4,4'-Sulfonyldianiline|4,4'-Sulfonyldiphenylamine|4,4'-Sulphonylbisbenzamine|4,4'-Sulphonylbisbenzenamine|4,4'-Sulphonyldianiline|Aniline, 4,4'-sulfonyldi-|Aradur 976-1|Araldite HT 976|Avlosulfon|Avlosulfone|Avlosulphone|Benzenamine, 4,4'-sulfonylbis-|Bis(4-aminophenyl) sulfone|Bis(4-aminophenyl)sulphone|Bis(p-aminophenyl) sulfone|Bis(p-aminophenyl)sulphone|BRN 0788055|Croysulfone|Croysulphone|DADPS|Dapsona|Dapsone|Dapsonum|DDS|Di(4-aminophenyl) sulfone|Di(4-aminophenyl)sulfone|Di(4-aminophenyl)sulphone|Di(p-aminophenyl) sulfone|Di(p-aminophenyl)sulphone|Diamino-4,4'-diphenyl sulfone|Diamino-4,4'-diphenyl sulphone|Diaminodifenilsulfona|Diaminodiphenyl sulfone|Dia|1246638-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020371 https://doi.org/10.22427/NTP-DATA-DTXSID4020371
ERPathway2016 ERPathway2016_481 Dapsone 80-08-0 DTXSID4020371 ER Pathway Model, Agonist Model Score 0.00158 Unitless NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1 Dapsone 80-08-0|Dapsone|1,1'-Sulfonylbis(4-aminobenzene)|1,1'-Sulfonylbis[4-aminobenzene]|1,1'-Sulphonylbis(4-aminobenzene)|4-Aminophenyl sulfone|4,4-Diaminodifenylsulfon|4,4'-Dapsone|4,4'-Diaminodiphenyl sulfone|4,4'-Diaminodiphenyl sulphone|4,4'-Diaminodiphenyl suphone|4,4'-DIAMINODIPHENYLSULFON|4,4'-Sulfonylbisaniline|4,4'-Sulfonylbisbenzamine|4,4'-Sulfonylbisbenzenamine|4,4'-Sulfonyldianiline|4,4'-Sulfonyldiphenylamine|4,4'-Sulphonylbisbenzamine|4,4'-Sulphonylbisbenzenamine|4,4'-Sulphonyldianiline|Aniline, 4,4'-sulfonyldi-|Aradur 976-1|Araldite HT 976|Avlosulfon|Avlosulfone|Avlosulphone|Benzenamine, 4,4'-sulfonylbis-|Bis(4-aminophenyl) sulfone|Bis(4-aminophenyl)sulphone|Bis(p-aminophenyl) sulfone|Bis(p-aminophenyl)sulphone|BRN 0788055|Croysulfone|Croysulphone|DADPS|Dapsona|Dapsone|Dapsonum|DDS|Di(4-aminophenyl) sulfone|Di(4-aminophenyl)sulfone|Di(4-aminophenyl)sulphone|Di(p-aminophenyl) sulfone|Di(p-aminophenyl)sulphone|Diamino-4,4'-diphenyl sulfone|Diamino-4,4'-diphenyl sulphone|Diaminodifenilsulfona|Diaminodiphenyl sulfone|Dia|1246638-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020371 https://doi.org/10.22427/NTP-DATA-DTXSID4020371
ERPathway2016 ERPathway2016_481 Dapsone 80-08-0 DTXSID4020371 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1 Dapsone 80-08-0|Dapsone|1,1'-Sulfonylbis(4-aminobenzene)|1,1'-Sulfonylbis[4-aminobenzene]|1,1'-Sulphonylbis(4-aminobenzene)|4-Aminophenyl sulfone|4,4-Diaminodifenylsulfon|4,4'-Dapsone|4,4'-Diaminodiphenyl sulfone|4,4'-Diaminodiphenyl sulphone|4,4'-Diaminodiphenyl suphone|4,4'-DIAMINODIPHENYLSULFON|4,4'-Sulfonylbisaniline|4,4'-Sulfonylbisbenzamine|4,4'-Sulfonylbisbenzenamine|4,4'-Sulfonyldianiline|4,4'-Sulfonyldiphenylamine|4,4'-Sulphonylbisbenzamine|4,4'-Sulphonylbisbenzenamine|4,4'-Sulphonyldianiline|Aniline, 4,4'-sulfonyldi-|Aradur 976-1|Araldite HT 976|Avlosulfon|Avlosulfone|Avlosulphone|Benzenamine, 4,4'-sulfonylbis-|Bis(4-aminophenyl) sulfone|Bis(4-aminophenyl)sulphone|Bis(p-aminophenyl) sulfone|Bis(p-aminophenyl)sulphone|BRN 0788055|Croysulfone|Croysulphone|DADPS|Dapsona|Dapsone|Dapsonum|DDS|Di(4-aminophenyl) sulfone|Di(4-aminophenyl)sulfone|Di(4-aminophenyl)sulphone|Di(p-aminophenyl) sulfone|Di(p-aminophenyl)sulphone|Diamino-4,4'-diphenyl sulfone|Diamino-4,4'-diphenyl sulphone|Diaminodifenilsulfona|Diaminodiphenyl sulfone|Dia|1246638-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020371 https://doi.org/10.22427/NTP-DATA-DTXSID4020371
ERPathway2016 ERPathway2016_481 Dapsone 80-08-0 DTXSID4020371 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1 Dapsone 80-08-0|Dapsone|1,1'-Sulfonylbis(4-aminobenzene)|1,1'-Sulfonylbis[4-aminobenzene]|1,1'-Sulphonylbis(4-aminobenzene)|4-Aminophenyl sulfone|4,4-Diaminodifenylsulfon|4,4'-Dapsone|4,4'-Diaminodiphenyl sulfone|4,4'-Diaminodiphenyl sulphone|4,4'-Diaminodiphenyl suphone|4,4'-DIAMINODIPHENYLSULFON|4,4'-Sulfonylbisaniline|4,4'-Sulfonylbisbenzamine|4,4'-Sulfonylbisbenzenamine|4,4'-Sulfonyldianiline|4,4'-Sulfonyldiphenylamine|4,4'-Sulphonylbisbenzamine|4,4'-Sulphonylbisbenzenamine|4,4'-Sulphonyldianiline|Aniline, 4,4'-sulfonyldi-|Aradur 976-1|Araldite HT 976|Avlosulfon|Avlosulfone|Avlosulphone|Benzenamine, 4,4'-sulfonylbis-|Bis(4-aminophenyl) sulfone|Bis(4-aminophenyl)sulphone|Bis(p-aminophenyl) sulfone|Bis(p-aminophenyl)sulphone|BRN 0788055|Croysulfone|Croysulphone|DADPS|Dapsona|Dapsone|Dapsonum|DDS|Di(4-aminophenyl) sulfone|Di(4-aminophenyl)sulfone|Di(4-aminophenyl)sulphone|Di(p-aminophenyl) sulfone|Di(p-aminophenyl)sulphone|Diamino-4,4'-diphenyl sulfone|Diamino-4,4'-diphenyl sulphone|Diaminodifenilsulfona|Diaminodiphenyl sulfone|Dia|1246638-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020371 https://doi.org/10.22427/NTP-DATA-DTXSID4020371
ERPathway2016 ERPathway2016_481 Dapsone 80-08-0 DTXSID4020371 ER Pathway Model, Antagonist Call Active Unitless NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1 Dapsone 80-08-0|Dapsone|1,1'-Sulfonylbis(4-aminobenzene)|1,1'-Sulfonylbis[4-aminobenzene]|1,1'-Sulphonylbis(4-aminobenzene)|4-Aminophenyl sulfone|4,4-Diaminodifenylsulfon|4,4'-Dapsone|4,4'-Diaminodiphenyl sulfone|4,4'-Diaminodiphenyl sulphone|4,4'-Diaminodiphenyl suphone|4,4'-DIAMINODIPHENYLSULFON|4,4'-Sulfonylbisaniline|4,4'-Sulfonylbisbenzamine|4,4'-Sulfonylbisbenzenamine|4,4'-Sulfonyldianiline|4,4'-Sulfonyldiphenylamine|4,4'-Sulphonylbisbenzamine|4,4'-Sulphonylbisbenzenamine|4,4'-Sulphonyldianiline|Aniline, 4,4'-sulfonyldi-|Aradur 976-1|Araldite HT 976|Avlosulfon|Avlosulfone|Avlosulphone|Benzenamine, 4,4'-sulfonylbis-|Bis(4-aminophenyl) sulfone|Bis(4-aminophenyl)sulphone|Bis(p-aminophenyl) sulfone|Bis(p-aminophenyl)sulphone|BRN 0788055|Croysulfone|Croysulphone|DADPS|Dapsona|Dapsone|Dapsonum|DDS|Di(4-aminophenyl) sulfone|Di(4-aminophenyl)sulfone|Di(4-aminophenyl)sulphone|Di(p-aminophenyl) sulfone|Di(p-aminophenyl)sulphone|Diamino-4,4'-diphenyl sulfone|Diamino-4,4'-diphenyl sulphone|Diaminodifenilsulfona|Diaminodiphenyl sulfone|Dia|1246638-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020371 https://doi.org/10.22427/NTP-DATA-DTXSID4020371
ARPathway2016 ARPathway2016_72 Darbufelone mesylate 139340-56-0 DTXSID0047246 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 25.18874005 uM CS(O)(=O)=O.CC(C)(C)C1=CC(C=C2/SC(=N)NC2=O)=CC(=C1O)C(C)(C)C Darbufelone mesylate 139340-56-0|Darbufelone mesylate|5-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2-imino-4-thiazolidinone methanesulfonate|CI-1004|PD-136095-0073|UNII-5I2Y40C5PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047246
ARPathway2016 ARPathway2016_72 Darbufelone mesylate 139340-56-0 DTXSID0047246 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 24.43756387 uM CS(O)(=O)=O.CC(C)(C)C1=CC(C=C2/SC(=N)NC2=O)=CC(=C1O)C(C)(C)C Darbufelone mesylate 139340-56-0|Darbufelone mesylate|5-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2-imino-4-thiazolidinone methanesulfonate|CI-1004|PD-136095-0073|UNII-5I2Y40C5PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047246
ARPathway2016 ARPathway2016_72 Darbufelone mesylate 139340-56-0 DTXSID0047246 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.148 Unitless CS(O)(=O)=O.CC(C)(C)C1=CC(C=C2/SC(=N)NC2=O)=CC(=C1O)C(C)(C)C Darbufelone mesylate 139340-56-0|Darbufelone mesylate|5-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2-imino-4-thiazolidinone methanesulfonate|CI-1004|PD-136095-0073|UNII-5I2Y40C5PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047246
ARPathway2016 ARPathway2016_72 Darbufelone mesylate 139340-56-0 DTXSID0047246 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CS(O)(=O)=O.CC(C)(C)C1=CC(C=C2/SC(=N)NC2=O)=CC(=C1O)C(C)(C)C Darbufelone mesylate 139340-56-0|Darbufelone mesylate|5-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2-imino-4-thiazolidinone methanesulfonate|CI-1004|PD-136095-0073|UNII-5I2Y40C5PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047246
ARPathway2016 ARPathway2016_72 Darbufelone mesylate 139340-56-0 DTXSID0047246 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CS(O)(=O)=O.CC(C)(C)C1=CC(C=C2/SC(=N)NC2=O)=CC(=C1O)C(C)(C)C Darbufelone mesylate 139340-56-0|Darbufelone mesylate|5-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2-imino-4-thiazolidinone methanesulfonate|CI-1004|PD-136095-0073|UNII-5I2Y40C5PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047246
ARPathway2016 ARPathway2016_72 Darbufelone mesylate 139340-56-0 DTXSID0047246 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CS(O)(=O)=O.CC(C)(C)C1=CC(C=C2/SC(=N)NC2=O)=CC(=C1O)C(C)(C)C Darbufelone mesylate 139340-56-0|Darbufelone mesylate|5-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2-imino-4-thiazolidinone methanesulfonate|CI-1004|PD-136095-0073|UNII-5I2Y40C5PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047246
ERPathway2016 ERPathway2016_590 Darbufelone mesylate 139340-56-0 DTXSID0047246 ER Pathway Model, Agonist Model Score 0 Unitless CS(O)(=O)=O.CC(C)(C)C1=CC(C=C2/SC(=N)NC2=O)=CC(=C1O)C(C)(C)C Darbufelone mesylate 139340-56-0|Darbufelone mesylate|5-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2-imino-4-thiazolidinone methanesulfonate|CI-1004|PD-136095-0073|UNII-5I2Y40C5PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047246
ERPathway2016 ERPathway2016_590 Darbufelone mesylate 139340-56-0 DTXSID0047246 ER Pathway Model, Antagonist Model Score 0 Unitless CS(O)(=O)=O.CC(C)(C)C1=CC(C=C2/SC(=N)NC2=O)=CC(=C1O)C(C)(C)C Darbufelone mesylate 139340-56-0|Darbufelone mesylate|5-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2-imino-4-thiazolidinone methanesulfonate|CI-1004|PD-136095-0073|UNII-5I2Y40C5PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047246
ERPathway2016 ERPathway2016_590 Darbufelone mesylate 139340-56-0 DTXSID0047246 ER Pathway Model, Agonist Call Inactive Unitless CS(O)(=O)=O.CC(C)(C)C1=CC(C=C2/SC(=N)NC2=O)=CC(=C1O)C(C)(C)C Darbufelone mesylate 139340-56-0|Darbufelone mesylate|5-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2-imino-4-thiazolidinone methanesulfonate|CI-1004|PD-136095-0073|UNII-5I2Y40C5PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047246
ERPathway2016 ERPathway2016_590 Darbufelone mesylate 139340-56-0 DTXSID0047246 ER Pathway Model, Antagonist Call Inactive Unitless CS(O)(=O)=O.CC(C)(C)C1=CC(C=C2/SC(=N)NC2=O)=CC(=C1O)C(C)(C)C Darbufelone mesylate 139340-56-0|Darbufelone mesylate|5-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2-imino-4-thiazolidinone methanesulfonate|CI-1004|PD-136095-0073|UNII-5I2Y40C5PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047246
ARPathway2016 ARPathway2016_204 Dazomet 533-74-4 DTXSID7024902 True antagonist shift (No hit/Hit) 3.0 AR Pathway Model, Agonist AC50 12.6272353214164 uM CN1CSC(=S)N(C)C1 Dazomet 533-74-4|Dazomet|2-Thio-3,5-dimethyltetrahydro-1,3,5-thiadiazine|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl-|3,5-Dimethyl-1,2,3,5-tetrahydro-1,3,5-thiadiazinethione-2|3,5-dimethyl-1,3,5-(2H)-tetrahydrothiadiazine-2-thione|3,5-Dimethyl-1,3,5-thiadiazinane-2-thione|3,5-dimethyl-2-thionotetrahydro-1,3,5-thiadiazine|3,5-Dimethylperhydro-1,3,5-thiadiazin-2-thion|3,5-Dimethyltetrahydro-1,3,5-2H-thiadiazine-2-thione|3,5-dimethyltetrahydro-1,3,5-thiadiazine-2-thione|3,5-dimethyltetrahydro-2H-1,3,5-thiadiazine-2-thione|3,5-Dimetil-peridro-1,3,5-tiadiazin-2-tione|4-27-00-07436|Basamid|Basamid - Purder|Basamid G|Basamid P|Basamid-Granular|Basamid-Puder|BRN 0116039|Carbothialdin|Caswell No. 840|Crag fungicide 974|Crag nemacide|Dazomet-Powder BASF|dimethylformocarbothialdine|DMTT|EC 208-574-7|EINECS 208-576-7|EPA Pesticide Chemical Code 035602|Fennosan B 100|Mico-fume|Nefusan|NSC 4737|Prezervit|Stauffer N 521|Tetrahydro-2H-3,5-dimethyl-1,3,5-thiadiazine-2-thione|tetrahydro|1135442-80-6|55146-10-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024902 https://doi.org/10.22427/NTP-DATA-DTXSID7024902
ARPathway2016 ARPathway2016_204 Dazomet 533-74-4 DTXSID7024902 True antagonist shift (No hit/Hit) 3.0 AR Pathway Model, Agonist ACC 14.9310621479984 uM CN1CSC(=S)N(C)C1 Dazomet 533-74-4|Dazomet|2-Thio-3,5-dimethyltetrahydro-1,3,5-thiadiazine|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl-|3,5-Dimethyl-1,2,3,5-tetrahydro-1,3,5-thiadiazinethione-2|3,5-dimethyl-1,3,5-(2H)-tetrahydrothiadiazine-2-thione|3,5-Dimethyl-1,3,5-thiadiazinane-2-thione|3,5-dimethyl-2-thionotetrahydro-1,3,5-thiadiazine|3,5-Dimethylperhydro-1,3,5-thiadiazin-2-thion|3,5-Dimethyltetrahydro-1,3,5-2H-thiadiazine-2-thione|3,5-dimethyltetrahydro-1,3,5-thiadiazine-2-thione|3,5-dimethyltetrahydro-2H-1,3,5-thiadiazine-2-thione|3,5-Dimetil-peridro-1,3,5-tiadiazin-2-tione|4-27-00-07436|Basamid|Basamid - Purder|Basamid G|Basamid P|Basamid-Granular|Basamid-Puder|BRN 0116039|Carbothialdin|Caswell No. 840|Crag fungicide 974|Crag nemacide|Dazomet-Powder BASF|dimethylformocarbothialdine|DMTT|EC 208-574-7|EINECS 208-576-7|EPA Pesticide Chemical Code 035602|Fennosan B 100|Mico-fume|Nefusan|NSC 4737|Prezervit|Stauffer N 521|Tetrahydro-2H-3,5-dimethyl-1,3,5-thiadiazine-2-thione|tetrahydro|1135442-80-6|55146-10-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024902 https://doi.org/10.22427/NTP-DATA-DTXSID7024902
ARPathway2016 ARPathway2016_204 Dazomet 533-74-4 DTXSID7024902 True antagonist shift (No hit/Hit) 3.0 AR Pathway Model, Antagonist Model Score 0.0476 Unitless CN1CSC(=S)N(C)C1 Dazomet 533-74-4|Dazomet|2-Thio-3,5-dimethyltetrahydro-1,3,5-thiadiazine|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl-|3,5-Dimethyl-1,2,3,5-tetrahydro-1,3,5-thiadiazinethione-2|3,5-dimethyl-1,3,5-(2H)-tetrahydrothiadiazine-2-thione|3,5-Dimethyl-1,3,5-thiadiazinane-2-thione|3,5-dimethyl-2-thionotetrahydro-1,3,5-thiadiazine|3,5-Dimethylperhydro-1,3,5-thiadiazin-2-thion|3,5-Dimethyltetrahydro-1,3,5-2H-thiadiazine-2-thione|3,5-dimethyltetrahydro-1,3,5-thiadiazine-2-thione|3,5-dimethyltetrahydro-2H-1,3,5-thiadiazine-2-thione|3,5-Dimetil-peridro-1,3,5-tiadiazin-2-tione|4-27-00-07436|Basamid|Basamid - Purder|Basamid G|Basamid P|Basamid-Granular|Basamid-Puder|BRN 0116039|Carbothialdin|Caswell No. 840|Crag fungicide 974|Crag nemacide|Dazomet-Powder BASF|dimethylformocarbothialdine|DMTT|EC 208-574-7|EINECS 208-576-7|EPA Pesticide Chemical Code 035602|Fennosan B 100|Mico-fume|Nefusan|NSC 4737|Prezervit|Stauffer N 521|Tetrahydro-2H-3,5-dimethyl-1,3,5-thiadiazine-2-thione|tetrahydro|1135442-80-6|55146-10-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024902 https://doi.org/10.22427/NTP-DATA-DTXSID7024902
ARPathway2016 ARPathway2016_204 Dazomet 533-74-4 DTXSID7024902 True antagonist shift (No hit/Hit) 3.0 AR Pathway Model, Agonist Model Score 0 Unitless CN1CSC(=S)N(C)C1 Dazomet 533-74-4|Dazomet|2-Thio-3,5-dimethyltetrahydro-1,3,5-thiadiazine|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl-|3,5-Dimethyl-1,2,3,5-tetrahydro-1,3,5-thiadiazinethione-2|3,5-dimethyl-1,3,5-(2H)-tetrahydrothiadiazine-2-thione|3,5-Dimethyl-1,3,5-thiadiazinane-2-thione|3,5-dimethyl-2-thionotetrahydro-1,3,5-thiadiazine|3,5-Dimethylperhydro-1,3,5-thiadiazin-2-thion|3,5-Dimethyltetrahydro-1,3,5-2H-thiadiazine-2-thione|3,5-dimethyltetrahydro-1,3,5-thiadiazine-2-thione|3,5-dimethyltetrahydro-2H-1,3,5-thiadiazine-2-thione|3,5-Dimetil-peridro-1,3,5-tiadiazin-2-tione|4-27-00-07436|Basamid|Basamid - Purder|Basamid G|Basamid P|Basamid-Granular|Basamid-Puder|BRN 0116039|Carbothialdin|Caswell No. 840|Crag fungicide 974|Crag nemacide|Dazomet-Powder BASF|dimethylformocarbothialdine|DMTT|EC 208-574-7|EINECS 208-576-7|EPA Pesticide Chemical Code 035602|Fennosan B 100|Mico-fume|Nefusan|NSC 4737|Prezervit|Stauffer N 521|Tetrahydro-2H-3,5-dimethyl-1,3,5-thiadiazine-2-thione|tetrahydro|1135442-80-6|55146-10-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024902 https://doi.org/10.22427/NTP-DATA-DTXSID7024902
ARPathway2016 ARPathway2016_204 Dazomet 533-74-4 DTXSID7024902 True antagonist shift (No hit/Hit) 3.0 AR Pathway Model, Agonist Call Active Unitless CN1CSC(=S)N(C)C1 Dazomet 533-74-4|Dazomet|2-Thio-3,5-dimethyltetrahydro-1,3,5-thiadiazine|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl-|3,5-Dimethyl-1,2,3,5-tetrahydro-1,3,5-thiadiazinethione-2|3,5-dimethyl-1,3,5-(2H)-tetrahydrothiadiazine-2-thione|3,5-Dimethyl-1,3,5-thiadiazinane-2-thione|3,5-dimethyl-2-thionotetrahydro-1,3,5-thiadiazine|3,5-Dimethylperhydro-1,3,5-thiadiazin-2-thion|3,5-Dimethyltetrahydro-1,3,5-2H-thiadiazine-2-thione|3,5-dimethyltetrahydro-1,3,5-thiadiazine-2-thione|3,5-dimethyltetrahydro-2H-1,3,5-thiadiazine-2-thione|3,5-Dimetil-peridro-1,3,5-tiadiazin-2-tione|4-27-00-07436|Basamid|Basamid - Purder|Basamid G|Basamid P|Basamid-Granular|Basamid-Puder|BRN 0116039|Carbothialdin|Caswell No. 840|Crag fungicide 974|Crag nemacide|Dazomet-Powder BASF|dimethylformocarbothialdine|DMTT|EC 208-574-7|EINECS 208-576-7|EPA Pesticide Chemical Code 035602|Fennosan B 100|Mico-fume|Nefusan|NSC 4737|Prezervit|Stauffer N 521|Tetrahydro-2H-3,5-dimethyl-1,3,5-thiadiazine-2-thione|tetrahydro|1135442-80-6|55146-10-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024902 https://doi.org/10.22427/NTP-DATA-DTXSID7024902
ARPathway2016 ARPathway2016_204 Dazomet 533-74-4 DTXSID7024902 True antagonist shift (No hit/Hit) 3.0 AR Pathway Model, Antagonist Call Inactive Unitless CN1CSC(=S)N(C)C1 Dazomet 533-74-4|Dazomet|2-Thio-3,5-dimethyltetrahydro-1,3,5-thiadiazine|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl-|3,5-Dimethyl-1,2,3,5-tetrahydro-1,3,5-thiadiazinethione-2|3,5-dimethyl-1,3,5-(2H)-tetrahydrothiadiazine-2-thione|3,5-Dimethyl-1,3,5-thiadiazinane-2-thione|3,5-dimethyl-2-thionotetrahydro-1,3,5-thiadiazine|3,5-Dimethylperhydro-1,3,5-thiadiazin-2-thion|3,5-Dimethyltetrahydro-1,3,5-2H-thiadiazine-2-thione|3,5-dimethyltetrahydro-1,3,5-thiadiazine-2-thione|3,5-dimethyltetrahydro-2H-1,3,5-thiadiazine-2-thione|3,5-Dimetil-peridro-1,3,5-tiadiazin-2-tione|4-27-00-07436|Basamid|Basamid - Purder|Basamid G|Basamid P|Basamid-Granular|Basamid-Puder|BRN 0116039|Carbothialdin|Caswell No. 840|Crag fungicide 974|Crag nemacide|Dazomet-Powder BASF|dimethylformocarbothialdine|DMTT|EC 208-574-7|EINECS 208-576-7|EPA Pesticide Chemical Code 035602|Fennosan B 100|Mico-fume|Nefusan|NSC 4737|Prezervit|Stauffer N 521|Tetrahydro-2H-3,5-dimethyl-1,3,5-thiadiazine-2-thione|tetrahydro|1135442-80-6|55146-10-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024902 https://doi.org/10.22427/NTP-DATA-DTXSID7024902
ERPathway2016 ERPathway2016_642 Dazomet 533-74-4 DTXSID7024902 A17 ER Pathway Model, Agonist Model Score 0 Unitless CN1CSC(=S)N(C)C1 Dazomet 533-74-4|Dazomet|2-Thio-3,5-dimethyltetrahydro-1,3,5-thiadiazine|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl-|3,5-Dimethyl-1,2,3,5-tetrahydro-1,3,5-thiadiazinethione-2|3,5-dimethyl-1,3,5-(2H)-tetrahydrothiadiazine-2-thione|3,5-Dimethyl-1,3,5-thiadiazinane-2-thione|3,5-dimethyl-2-thionotetrahydro-1,3,5-thiadiazine|3,5-Dimethylperhydro-1,3,5-thiadiazin-2-thion|3,5-Dimethyltetrahydro-1,3,5-2H-thiadiazine-2-thione|3,5-dimethyltetrahydro-1,3,5-thiadiazine-2-thione|3,5-dimethyltetrahydro-2H-1,3,5-thiadiazine-2-thione|3,5-Dimetil-peridro-1,3,5-tiadiazin-2-tione|4-27-00-07436|Basamid|Basamid - Purder|Basamid G|Basamid P|Basamid-Granular|Basamid-Puder|BRN 0116039|Carbothialdin|Caswell No. 840|Crag fungicide 974|Crag nemacide|Dazomet-Powder BASF|dimethylformocarbothialdine|DMTT|EC 208-574-7|EINECS 208-576-7|EPA Pesticide Chemical Code 035602|Fennosan B 100|Mico-fume|Nefusan|NSC 4737|Prezervit|Stauffer N 521|Tetrahydro-2H-3,5-dimethyl-1,3,5-thiadiazine-2-thione|tetrahydro|1135442-80-6|55146-10-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024902 https://doi.org/10.22427/NTP-DATA-DTXSID7024902
ERPathway2016 ERPathway2016_642 Dazomet 533-74-4 DTXSID7024902 A17 ER Pathway Model, Antagonist Model Score 0 Unitless CN1CSC(=S)N(C)C1 Dazomet 533-74-4|Dazomet|2-Thio-3,5-dimethyltetrahydro-1,3,5-thiadiazine|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl-|3,5-Dimethyl-1,2,3,5-tetrahydro-1,3,5-thiadiazinethione-2|3,5-dimethyl-1,3,5-(2H)-tetrahydrothiadiazine-2-thione|3,5-Dimethyl-1,3,5-thiadiazinane-2-thione|3,5-dimethyl-2-thionotetrahydro-1,3,5-thiadiazine|3,5-Dimethylperhydro-1,3,5-thiadiazin-2-thion|3,5-Dimethyltetrahydro-1,3,5-2H-thiadiazine-2-thione|3,5-dimethyltetrahydro-1,3,5-thiadiazine-2-thione|3,5-dimethyltetrahydro-2H-1,3,5-thiadiazine-2-thione|3,5-Dimetil-peridro-1,3,5-tiadiazin-2-tione|4-27-00-07436|Basamid|Basamid - Purder|Basamid G|Basamid P|Basamid-Granular|Basamid-Puder|BRN 0116039|Carbothialdin|Caswell No. 840|Crag fungicide 974|Crag nemacide|Dazomet-Powder BASF|dimethylformocarbothialdine|DMTT|EC 208-574-7|EINECS 208-576-7|EPA Pesticide Chemical Code 035602|Fennosan B 100|Mico-fume|Nefusan|NSC 4737|Prezervit|Stauffer N 521|Tetrahydro-2H-3,5-dimethyl-1,3,5-thiadiazine-2-thione|tetrahydro|1135442-80-6|55146-10-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024902 https://doi.org/10.22427/NTP-DATA-DTXSID7024902
ERPathway2016 ERPathway2016_642 Dazomet 533-74-4 DTXSID7024902 A17 ER Pathway Model, Agonist Call Inactive Unitless CN1CSC(=S)N(C)C1 Dazomet 533-74-4|Dazomet|2-Thio-3,5-dimethyltetrahydro-1,3,5-thiadiazine|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl-|3,5-Dimethyl-1,2,3,5-tetrahydro-1,3,5-thiadiazinethione-2|3,5-dimethyl-1,3,5-(2H)-tetrahydrothiadiazine-2-thione|3,5-Dimethyl-1,3,5-thiadiazinane-2-thione|3,5-dimethyl-2-thionotetrahydro-1,3,5-thiadiazine|3,5-Dimethylperhydro-1,3,5-thiadiazin-2-thion|3,5-Dimethyltetrahydro-1,3,5-2H-thiadiazine-2-thione|3,5-dimethyltetrahydro-1,3,5-thiadiazine-2-thione|3,5-dimethyltetrahydro-2H-1,3,5-thiadiazine-2-thione|3,5-Dimetil-peridro-1,3,5-tiadiazin-2-tione|4-27-00-07436|Basamid|Basamid - Purder|Basamid G|Basamid P|Basamid-Granular|Basamid-Puder|BRN 0116039|Carbothialdin|Caswell No. 840|Crag fungicide 974|Crag nemacide|Dazomet-Powder BASF|dimethylformocarbothialdine|DMTT|EC 208-574-7|EINECS 208-576-7|EPA Pesticide Chemical Code 035602|Fennosan B 100|Mico-fume|Nefusan|NSC 4737|Prezervit|Stauffer N 521|Tetrahydro-2H-3,5-dimethyl-1,3,5-thiadiazine-2-thione|tetrahydro|1135442-80-6|55146-10-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024902 https://doi.org/10.22427/NTP-DATA-DTXSID7024902
ERPathway2016 ERPathway2016_642 Dazomet 533-74-4 DTXSID7024902 A17 ER Pathway Model, Antagonist Call Inactive Unitless CN1CSC(=S)N(C)C1 Dazomet 533-74-4|Dazomet|2-Thio-3,5-dimethyltetrahydro-1,3,5-thiadiazine|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl|2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl-|3,5-Dimethyl-1,2,3,5-tetrahydro-1,3,5-thiadiazinethione-2|3,5-dimethyl-1,3,5-(2H)-tetrahydrothiadiazine-2-thione|3,5-Dimethyl-1,3,5-thiadiazinane-2-thione|3,5-dimethyl-2-thionotetrahydro-1,3,5-thiadiazine|3,5-Dimethylperhydro-1,3,5-thiadiazin-2-thion|3,5-Dimethyltetrahydro-1,3,5-2H-thiadiazine-2-thione|3,5-dimethyltetrahydro-1,3,5-thiadiazine-2-thione|3,5-dimethyltetrahydro-2H-1,3,5-thiadiazine-2-thione|3,5-Dimetil-peridro-1,3,5-tiadiazin-2-tione|4-27-00-07436|Basamid|Basamid - Purder|Basamid G|Basamid P|Basamid-Granular|Basamid-Puder|BRN 0116039|Carbothialdin|Caswell No. 840|Crag fungicide 974|Crag nemacide|Dazomet-Powder BASF|dimethylformocarbothialdine|DMTT|EC 208-574-7|EINECS 208-576-7|EPA Pesticide Chemical Code 035602|Fennosan B 100|Mico-fume|Nefusan|NSC 4737|Prezervit|Stauffer N 521|Tetrahydro-2H-3,5-dimethyl-1,3,5-thiadiazine-2-thione|tetrahydro|1135442-80-6|55146-10-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024902 https://doi.org/10.22427/NTP-DATA-DTXSID7024902
ARPathway2016 ARPathway2016_1222 D-Camphor 464-49-3 DTXSID4024721 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 D-Camphor 464-49-3|D-Camphor|(+)-2-Bornanone|(+)-Bornan-2-on|(+)-bornan-2-ona|(+)-Bornan-2-one|(+)-bornane-2-one|(+)-Camphor|(+)Bornan-2-one|(1R,4R)-(+)-Camphor|(1R,4R)-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-one|(1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one|(1R,4R)-camphor|(1R)-(+)-Camphor|(1R)-Camphor|(R)-(+)-Camphor|(R)-Camphor|Alcanfor|Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, (1R)-|Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R,4R)-|Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R)-|BORNAN-2-ONE, (+)-|Camphor USP|Camphor, (+)-|Camphor, (1R,4R)-(+)-|Camphor, Camphor|Camphor(D)|D-(+)-Camphor|d-2-Bornanone|d-2-Camphanone|EINECS 207-355-2|FEMA No. 2230|Formosa camphor|Japanese camphor|Laurel camphor|UNII-N20HL7Q941|68546-28-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024721 https://doi.org/10.22427/NTP-DATA-DTXSID4024721
ARPathway2016 ARPathway2016_1222 D-Camphor 464-49-3 DTXSID4024721 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 D-Camphor 464-49-3|D-Camphor|(+)-2-Bornanone|(+)-Bornan-2-on|(+)-bornan-2-ona|(+)-Bornan-2-one|(+)-bornane-2-one|(+)-Camphor|(+)Bornan-2-one|(1R,4R)-(+)-Camphor|(1R,4R)-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-one|(1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one|(1R,4R)-camphor|(1R)-(+)-Camphor|(1R)-Camphor|(R)-(+)-Camphor|(R)-Camphor|Alcanfor|Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, (1R)-|Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R,4R)-|Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R)-|BORNAN-2-ONE, (+)-|Camphor USP|Camphor, (+)-|Camphor, (1R,4R)-(+)-|Camphor, Camphor|Camphor(D)|D-(+)-Camphor|d-2-Bornanone|d-2-Camphanone|EINECS 207-355-2|FEMA No. 2230|Formosa camphor|Japanese camphor|Laurel camphor|UNII-N20HL7Q941|68546-28-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024721 https://doi.org/10.22427/NTP-DATA-DTXSID4024721
ARPathway2016 ARPathway2016_1222 D-Camphor 464-49-3 DTXSID4024721 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 D-Camphor 464-49-3|D-Camphor|(+)-2-Bornanone|(+)-Bornan-2-on|(+)-bornan-2-ona|(+)-Bornan-2-one|(+)-bornane-2-one|(+)-Camphor|(+)Bornan-2-one|(1R,4R)-(+)-Camphor|(1R,4R)-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-one|(1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one|(1R,4R)-camphor|(1R)-(+)-Camphor|(1R)-Camphor|(R)-(+)-Camphor|(R)-Camphor|Alcanfor|Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, (1R)-|Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R,4R)-|Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R)-|BORNAN-2-ONE, (+)-|Camphor USP|Camphor, (+)-|Camphor, (1R,4R)-(+)-|Camphor, Camphor|Camphor(D)|D-(+)-Camphor|d-2-Bornanone|d-2-Camphanone|EINECS 207-355-2|FEMA No. 2230|Formosa camphor|Japanese camphor|Laurel camphor|UNII-N20HL7Q941|68546-28-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024721 https://doi.org/10.22427/NTP-DATA-DTXSID4024721
ARPathway2016 ARPathway2016_1222 D-Camphor 464-49-3 DTXSID4024721 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 D-Camphor 464-49-3|D-Camphor|(+)-2-Bornanone|(+)-Bornan-2-on|(+)-bornan-2-ona|(+)-Bornan-2-one|(+)-bornane-2-one|(+)-Camphor|(+)Bornan-2-one|(1R,4R)-(+)-Camphor|(1R,4R)-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-one|(1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one|(1R,4R)-camphor|(1R)-(+)-Camphor|(1R)-Camphor|(R)-(+)-Camphor|(R)-Camphor|Alcanfor|Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, (1R)-|Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R,4R)-|Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R)-|BORNAN-2-ONE, (+)-|Camphor USP|Camphor, (+)-|Camphor, (1R,4R)-(+)-|Camphor, Camphor|Camphor(D)|D-(+)-Camphor|d-2-Bornanone|d-2-Camphanone|EINECS 207-355-2|FEMA No. 2230|Formosa camphor|Japanese camphor|Laurel camphor|UNII-N20HL7Q941|68546-28-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024721 https://doi.org/10.22427/NTP-DATA-DTXSID4024721
ERPathway2016 ERPathway2016_1489 D-Camphor 464-49-3 DTXSID4024721 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 D-Camphor 464-49-3|D-Camphor|(+)-2-Bornanone|(+)-Bornan-2-on|(+)-bornan-2-ona|(+)-Bornan-2-one|(+)-bornane-2-one|(+)-Camphor|(+)Bornan-2-one|(1R,4R)-(+)-Camphor|(1R,4R)-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-one|(1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one|(1R,4R)-camphor|(1R)-(+)-Camphor|(1R)-Camphor|(R)-(+)-Camphor|(R)-Camphor|Alcanfor|Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, (1R)-|Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R,4R)-|Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R)-|BORNAN-2-ONE, (+)-|Camphor USP|Camphor, (+)-|Camphor, (1R,4R)-(+)-|Camphor, Camphor|Camphor(D)|D-(+)-Camphor|d-2-Bornanone|d-2-Camphanone|EINECS 207-355-2|FEMA No. 2230|Formosa camphor|Japanese camphor|Laurel camphor|UNII-N20HL7Q941|68546-28-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024721 https://doi.org/10.22427/NTP-DATA-DTXSID4024721
ERPathway2016 ERPathway2016_1489 D-Camphor 464-49-3 DTXSID4024721 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 D-Camphor 464-49-3|D-Camphor|(+)-2-Bornanone|(+)-Bornan-2-on|(+)-bornan-2-ona|(+)-Bornan-2-one|(+)-bornane-2-one|(+)-Camphor|(+)Bornan-2-one|(1R,4R)-(+)-Camphor|(1R,4R)-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-one|(1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one|(1R,4R)-camphor|(1R)-(+)-Camphor|(1R)-Camphor|(R)-(+)-Camphor|(R)-Camphor|Alcanfor|Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, (1R)-|Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R,4R)-|Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R)-|BORNAN-2-ONE, (+)-|Camphor USP|Camphor, (+)-|Camphor, (1R,4R)-(+)-|Camphor, Camphor|Camphor(D)|D-(+)-Camphor|d-2-Bornanone|d-2-Camphanone|EINECS 207-355-2|FEMA No. 2230|Formosa camphor|Japanese camphor|Laurel camphor|UNII-N20HL7Q941|68546-28-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024721 https://doi.org/10.22427/NTP-DATA-DTXSID4024721
ERPathway2016 ERPathway2016_1489 D-Camphor 464-49-3 DTXSID4024721 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 D-Camphor 464-49-3|D-Camphor|(+)-2-Bornanone|(+)-Bornan-2-on|(+)-bornan-2-ona|(+)-Bornan-2-one|(+)-bornane-2-one|(+)-Camphor|(+)Bornan-2-one|(1R,4R)-(+)-Camphor|(1R,4R)-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-one|(1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one|(1R,4R)-camphor|(1R)-(+)-Camphor|(1R)-Camphor|(R)-(+)-Camphor|(R)-Camphor|Alcanfor|Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, (1R)-|Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R,4R)-|Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R)-|BORNAN-2-ONE, (+)-|Camphor USP|Camphor, (+)-|Camphor, (1R,4R)-(+)-|Camphor, Camphor|Camphor(D)|D-(+)-Camphor|d-2-Bornanone|d-2-Camphanone|EINECS 207-355-2|FEMA No. 2230|Formosa camphor|Japanese camphor|Laurel camphor|UNII-N20HL7Q941|68546-28-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024721 https://doi.org/10.22427/NTP-DATA-DTXSID4024721
ERPathway2016 ERPathway2016_1489 D-Camphor 464-49-3 DTXSID4024721 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 D-Camphor 464-49-3|D-Camphor|(+)-2-Bornanone|(+)-Bornan-2-on|(+)-bornan-2-ona|(+)-Bornan-2-one|(+)-bornane-2-one|(+)-Camphor|(+)Bornan-2-one|(1R,4R)-(+)-Camphor|(1R,4R)-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-one|(1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one|(1R,4R)-camphor|(1R)-(+)-Camphor|(1R)-Camphor|(R)-(+)-Camphor|(R)-Camphor|Alcanfor|Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, (1R)-|Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R,4R)-|Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R)-|BORNAN-2-ONE, (+)-|Camphor USP|Camphor, (+)-|Camphor, (1R,4R)-(+)-|Camphor, Camphor|Camphor(D)|D-(+)-Camphor|d-2-Bornanone|d-2-Camphanone|EINECS 207-355-2|FEMA No. 2230|Formosa camphor|Japanese camphor|Laurel camphor|UNII-N20HL7Q941|68546-28-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024721 https://doi.org/10.22427/NTP-DATA-DTXSID4024721
ARPathway2016 ARPathway2016_189 DDT 50-29-3 DTXSID4020375 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 47.04634193 uM ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl DDT 50-29-3|DDT|1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis-(p-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethane|1,1,1-Trichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1,1-Trichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-chlorophenyl) ethane|1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane|1,1,1-Trichloro-2,2-bis(4,4'-dichlorodiphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane|1,1,1-Trichloro-2,2-di(4-chlorophenyl)-ethane|1,1,1-Trichloro-2,2-di(p-chlorophenyl)ethane|1,1,1-Tricloro-2,2-bis(4-cloro-fenil)-etano|1,1,1-Tricloro-2,2-bis(4-cloro-fenyl)-etano|1,1'-(2,2,2-Trichloroethylidene)bis(4-chlorobenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene]|2,2-bis(p-Chlorophenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethane|200-024-3|4,4-Dichlorodiphenyl-trichloroethane|4,4'-DDT|4,4'-Dichlorodiphenyltrichloroethane|4,4'-Dichlorodiphenyltrichloroethane|Aavero-extra|Agritan|alpha,alph|1081843-15-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020375
ARPathway2016 ARPathway2016_189 DDT 50-29-3 DTXSID4020375 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 41.97481584 uM ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl DDT 50-29-3|DDT|1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis-(p-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethane|1,1,1-Trichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1,1-Trichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-chlorophenyl) ethane|1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane|1,1,1-Trichloro-2,2-bis(4,4'-dichlorodiphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane|1,1,1-Trichloro-2,2-di(4-chlorophenyl)-ethane|1,1,1-Trichloro-2,2-di(p-chlorophenyl)ethane|1,1,1-Tricloro-2,2-bis(4-cloro-fenil)-etano|1,1,1-Tricloro-2,2-bis(4-cloro-fenyl)-etano|1,1'-(2,2,2-Trichloroethylidene)bis(4-chlorobenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene]|2,2-bis(p-Chlorophenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethane|200-024-3|4,4-Dichlorodiphenyl-trichloroethane|4,4'-DDT|4,4'-Dichlorodiphenyltrichloroethane|4,4'-Dichlorodiphenyltrichloroethane|Aavero-extra|Agritan|alpha,alph|1081843-15-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020375
ARPathway2016 ARPathway2016_189 DDT 50-29-3 DTXSID4020375 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0642 Unitless ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl DDT 50-29-3|DDT|1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis-(p-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethane|1,1,1-Trichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1,1-Trichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-chlorophenyl) ethane|1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane|1,1,1-Trichloro-2,2-bis(4,4'-dichlorodiphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane|1,1,1-Trichloro-2,2-di(4-chlorophenyl)-ethane|1,1,1-Trichloro-2,2-di(p-chlorophenyl)ethane|1,1,1-Tricloro-2,2-bis(4-cloro-fenil)-etano|1,1,1-Tricloro-2,2-bis(4-cloro-fenyl)-etano|1,1'-(2,2,2-Trichloroethylidene)bis(4-chlorobenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene]|2,2-bis(p-Chlorophenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethane|200-024-3|4,4-Dichlorodiphenyl-trichloroethane|4,4'-DDT|4,4'-Dichlorodiphenyltrichloroethane|4,4'-Dichlorodiphenyltrichloroethane|Aavero-extra|Agritan|alpha,alph|1081843-15-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020375
ARPathway2016 ARPathway2016_189 DDT 50-29-3 DTXSID4020375 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl DDT 50-29-3|DDT|1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis-(p-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethane|1,1,1-Trichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1,1-Trichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-chlorophenyl) ethane|1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane|1,1,1-Trichloro-2,2-bis(4,4'-dichlorodiphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane|1,1,1-Trichloro-2,2-di(4-chlorophenyl)-ethane|1,1,1-Trichloro-2,2-di(p-chlorophenyl)ethane|1,1,1-Tricloro-2,2-bis(4-cloro-fenil)-etano|1,1,1-Tricloro-2,2-bis(4-cloro-fenyl)-etano|1,1'-(2,2,2-Trichloroethylidene)bis(4-chlorobenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene]|2,2-bis(p-Chlorophenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethane|200-024-3|4,4-Dichlorodiphenyl-trichloroethane|4,4'-DDT|4,4'-Dichlorodiphenyltrichloroethane|4,4'-Dichlorodiphenyltrichloroethane|Aavero-extra|Agritan|alpha,alph|1081843-15-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020375
ARPathway2016 ARPathway2016_189 DDT 50-29-3 DTXSID4020375 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl DDT 50-29-3|DDT|1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis-(p-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethane|1,1,1-Trichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1,1-Trichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-chlorophenyl) ethane|1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane|1,1,1-Trichloro-2,2-bis(4,4'-dichlorodiphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane|1,1,1-Trichloro-2,2-di(4-chlorophenyl)-ethane|1,1,1-Trichloro-2,2-di(p-chlorophenyl)ethane|1,1,1-Tricloro-2,2-bis(4-cloro-fenil)-etano|1,1,1-Tricloro-2,2-bis(4-cloro-fenyl)-etano|1,1'-(2,2,2-Trichloroethylidene)bis(4-chlorobenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene]|2,2-bis(p-Chlorophenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethane|200-024-3|4,4-Dichlorodiphenyl-trichloroethane|4,4'-DDT|4,4'-Dichlorodiphenyltrichloroethane|4,4'-Dichlorodiphenyltrichloroethane|Aavero-extra|Agritan|alpha,alph|1081843-15-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020375
ARPathway2016 ARPathway2016_189 DDT 50-29-3 DTXSID4020375 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl DDT 50-29-3|DDT|1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis-(p-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethane|1,1,1-Trichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1,1-Trichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-chlorophenyl) ethane|1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane|1,1,1-Trichloro-2,2-bis(4,4'-dichlorodiphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane|1,1,1-Trichloro-2,2-di(4-chlorophenyl)-ethane|1,1,1-Trichloro-2,2-di(p-chlorophenyl)ethane|1,1,1-Tricloro-2,2-bis(4-cloro-fenil)-etano|1,1,1-Tricloro-2,2-bis(4-cloro-fenyl)-etano|1,1'-(2,2,2-Trichloroethylidene)bis(4-chlorobenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene]|2,2-bis(p-Chlorophenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethane|200-024-3|4,4-Dichlorodiphenyl-trichloroethane|4,4'-DDT|4,4'-Dichlorodiphenyltrichloroethane|4,4'-Dichlorodiphenyltrichloroethane|Aavero-extra|Agritan|alpha,alph|1081843-15-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020375
ERPathway2016 ERPathway2016_201 DDT 50-29-3 DTXSID4020375 Agonist ER Pathway Model, Antagonist AC50 6.0732806780797 uM ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl DDT 50-29-3|DDT|1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis-(p-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethane|1,1,1-Trichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1,1-Trichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-chlorophenyl) ethane|1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane|1,1,1-Trichloro-2,2-bis(4,4'-dichlorodiphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane|1,1,1-Trichloro-2,2-di(4-chlorophenyl)-ethane|1,1,1-Trichloro-2,2-di(p-chlorophenyl)ethane|1,1,1-Tricloro-2,2-bis(4-cloro-fenil)-etano|1,1,1-Tricloro-2,2-bis(4-cloro-fenyl)-etano|1,1'-(2,2,2-Trichloroethylidene)bis(4-chlorobenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene]|2,2-bis(p-Chlorophenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethane|200-024-3|4,4-Dichlorodiphenyl-trichloroethane|4,4'-DDT|4,4'-Dichlorodiphenyltrichloroethane|4,4'-Dichlorodiphenyltrichloroethane|Aavero-extra|Agritan|alpha,alph|1081843-15-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020375
ERPathway2016 ERPathway2016_201 DDT 50-29-3 DTXSID4020375 Agonist ER Pathway Model, Antagonist ACC 7.77961485650992 uM ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl DDT 50-29-3|DDT|1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis-(p-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethane|1,1,1-Trichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1,1-Trichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-chlorophenyl) ethane|1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane|1,1,1-Trichloro-2,2-bis(4,4'-dichlorodiphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane|1,1,1-Trichloro-2,2-di(4-chlorophenyl)-ethane|1,1,1-Trichloro-2,2-di(p-chlorophenyl)ethane|1,1,1-Tricloro-2,2-bis(4-cloro-fenil)-etano|1,1,1-Tricloro-2,2-bis(4-cloro-fenyl)-etano|1,1'-(2,2,2-Trichloroethylidene)bis(4-chlorobenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene]|2,2-bis(p-Chlorophenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethane|200-024-3|4,4-Dichlorodiphenyl-trichloroethane|4,4'-DDT|4,4'-Dichlorodiphenyltrichloroethane|4,4'-Dichlorodiphenyltrichloroethane|Aavero-extra|Agritan|alpha,alph|1081843-15-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020375
ERPathway2016 ERPathway2016_201 DDT 50-29-3 DTXSID4020375 Agonist ER Pathway Model, Agonist Model Score 0.19 Unitless ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl DDT 50-29-3|DDT|1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis-(p-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethane|1,1,1-Trichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1,1-Trichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-chlorophenyl) ethane|1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane|1,1,1-Trichloro-2,2-bis(4,4'-dichlorodiphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane|1,1,1-Trichloro-2,2-di(4-chlorophenyl)-ethane|1,1,1-Trichloro-2,2-di(p-chlorophenyl)ethane|1,1,1-Tricloro-2,2-bis(4-cloro-fenil)-etano|1,1,1-Tricloro-2,2-bis(4-cloro-fenyl)-etano|1,1'-(2,2,2-Trichloroethylidene)bis(4-chlorobenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene]|2,2-bis(p-Chlorophenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethane|200-024-3|4,4-Dichlorodiphenyl-trichloroethane|4,4'-DDT|4,4'-Dichlorodiphenyltrichloroethane|4,4'-Dichlorodiphenyltrichloroethane|Aavero-extra|Agritan|alpha,alph|1081843-15-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020375
ERPathway2016 ERPathway2016_201 DDT 50-29-3 DTXSID4020375 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl DDT 50-29-3|DDT|1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis-(p-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethane|1,1,1-Trichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1,1-Trichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-chlorophenyl) ethane|1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane|1,1,1-Trichloro-2,2-bis(4,4'-dichlorodiphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane|1,1,1-Trichloro-2,2-di(4-chlorophenyl)-ethane|1,1,1-Trichloro-2,2-di(p-chlorophenyl)ethane|1,1,1-Tricloro-2,2-bis(4-cloro-fenil)-etano|1,1,1-Tricloro-2,2-bis(4-cloro-fenyl)-etano|1,1'-(2,2,2-Trichloroethylidene)bis(4-chlorobenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene]|2,2-bis(p-Chlorophenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethane|200-024-3|4,4-Dichlorodiphenyl-trichloroethane|4,4'-DDT|4,4'-Dichlorodiphenyltrichloroethane|4,4'-Dichlorodiphenyltrichloroethane|Aavero-extra|Agritan|alpha,alph|1081843-15-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020375
ERPathway2016 ERPathway2016_201 DDT 50-29-3 DTXSID4020375 Agonist ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl DDT 50-29-3|DDT|1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis-(p-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethane|1,1,1-Trichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1,1-Trichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-chlorophenyl) ethane|1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane|1,1,1-Trichloro-2,2-bis(4,4'-dichlorodiphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane|1,1,1-Trichloro-2,2-di(4-chlorophenyl)-ethane|1,1,1-Trichloro-2,2-di(p-chlorophenyl)ethane|1,1,1-Tricloro-2,2-bis(4-cloro-fenil)-etano|1,1,1-Tricloro-2,2-bis(4-cloro-fenyl)-etano|1,1'-(2,2,2-Trichloroethylidene)bis(4-chlorobenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene]|2,2-bis(p-Chlorophenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethane|200-024-3|4,4-Dichlorodiphenyl-trichloroethane|4,4'-DDT|4,4'-Dichlorodiphenyltrichloroethane|4,4'-Dichlorodiphenyltrichloroethane|Aavero-extra|Agritan|alpha,alph|1081843-15-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020375
ERPathway2016 ERPathway2016_201 DDT 50-29-3 DTXSID4020375 Agonist ER Pathway Model, Antagonist Call Active Unitless ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl DDT 50-29-3|DDT|1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis-(p-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethane|1,1,1-Trichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1,1-Trichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-chlorophenyl) ethane|1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane|1,1,1-Trichloro-2,2-bis(4,4'-dichlorodiphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane|1,1,1-Trichloro-2,2-di(4-chlorophenyl)-ethane|1,1,1-Trichloro-2,2-di(p-chlorophenyl)ethane|1,1,1-Tricloro-2,2-bis(4-cloro-fenil)-etano|1,1,1-Tricloro-2,2-bis(4-cloro-fenyl)-etano|1,1'-(2,2,2-Trichloroethylidene)bis(4-chlorobenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene]|2,2-bis(p-Chlorophenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethane|200-024-3|4,4-Dichlorodiphenyl-trichloroethane|4,4'-DDT|4,4'-Dichlorodiphenyltrichloroethane|4,4'-Dichlorodiphenyltrichloroethane|Aavero-extra|Agritan|alpha,alph|1081843-15-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020375
ARPathway2016 ARPathway2016_1303 Decamethylcyclopentasiloxane 541-02-6 DTXSID1027184 1.0 AR Pathway Model, Antagonist Model Score 0 Unitless C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Decamethylcyclopentasiloxane 541-02-6|Decamethylcyclopentasiloxane|4-04-00-04128|Botanisil CP 33|BRN 1800166|Cyclic dimethylsiloxane pentamer|Cyclo-decamethylpentasiloxane|Cyclopentadimethylsiloxane|Cyclopentasiloxane|Cyclopentasiloxane, 2,2,4,4,6,6,8,8,10,10-decamethyl-|Cyclopentasiloxane, decamethyl-|D5|DC 345 Fluid|Decamethyl cyclopentasiloxane|Decamethylcyclopentasiloxan|decametilciclopentasiloxano|Dekamethylcyklopentasiloxan|Dimethylsiloxane pentamer|Dow Corning 2-5252C|Dow Corning 245|Dow Corning 245 Fluid|Dow Corning 345|Dow Corning 345 Fluid|Dow Corning 345EU|EINECS 208-764-9|Mirasil CM 5|NUC Silicone VS 7158|Pentacyclomethicone|Silbione 70045V5|Silbione V 5|Silicon Plus a|Silicon SF 1202|Silicone SF 1202|UNII-0THT5PCI0R|Union Carbide 7158 Silicone Fluid|Volasil 245 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027184
ARPathway2016 ARPathway2016_1303 Decamethylcyclopentasiloxane 541-02-6 DTXSID1027184 1.0 AR Pathway Model, Agonist Model Score 0 Unitless C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Decamethylcyclopentasiloxane 541-02-6|Decamethylcyclopentasiloxane|4-04-00-04128|Botanisil CP 33|BRN 1800166|Cyclic dimethylsiloxane pentamer|Cyclo-decamethylpentasiloxane|Cyclopentadimethylsiloxane|Cyclopentasiloxane|Cyclopentasiloxane, 2,2,4,4,6,6,8,8,10,10-decamethyl-|Cyclopentasiloxane, decamethyl-|D5|DC 345 Fluid|Decamethyl cyclopentasiloxane|Decamethylcyclopentasiloxan|decametilciclopentasiloxano|Dekamethylcyklopentasiloxan|Dimethylsiloxane pentamer|Dow Corning 2-5252C|Dow Corning 245|Dow Corning 245 Fluid|Dow Corning 345|Dow Corning 345 Fluid|Dow Corning 345EU|EINECS 208-764-9|Mirasil CM 5|NUC Silicone VS 7158|Pentacyclomethicone|Silbione 70045V5|Silbione V 5|Silicon Plus a|Silicon SF 1202|Silicone SF 1202|UNII-0THT5PCI0R|Union Carbide 7158 Silicone Fluid|Volasil 245 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027184
ARPathway2016 ARPathway2016_1303 Decamethylcyclopentasiloxane 541-02-6 DTXSID1027184 1.0 AR Pathway Model, Agonist Call Inactive Unitless C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Decamethylcyclopentasiloxane 541-02-6|Decamethylcyclopentasiloxane|4-04-00-04128|Botanisil CP 33|BRN 1800166|Cyclic dimethylsiloxane pentamer|Cyclo-decamethylpentasiloxane|Cyclopentadimethylsiloxane|Cyclopentasiloxane|Cyclopentasiloxane, 2,2,4,4,6,6,8,8,10,10-decamethyl-|Cyclopentasiloxane, decamethyl-|D5|DC 345 Fluid|Decamethyl cyclopentasiloxane|Decamethylcyclopentasiloxan|decametilciclopentasiloxano|Dekamethylcyklopentasiloxan|Dimethylsiloxane pentamer|Dow Corning 2-5252C|Dow Corning 245|Dow Corning 245 Fluid|Dow Corning 345|Dow Corning 345 Fluid|Dow Corning 345EU|EINECS 208-764-9|Mirasil CM 5|NUC Silicone VS 7158|Pentacyclomethicone|Silbione 70045V5|Silbione V 5|Silicon Plus a|Silicon SF 1202|Silicone SF 1202|UNII-0THT5PCI0R|Union Carbide 7158 Silicone Fluid|Volasil 245 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027184
ARPathway2016 ARPathway2016_1303 Decamethylcyclopentasiloxane 541-02-6 DTXSID1027184 1.0 AR Pathway Model, Antagonist Call Inactive Unitless C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Decamethylcyclopentasiloxane 541-02-6|Decamethylcyclopentasiloxane|4-04-00-04128|Botanisil CP 33|BRN 1800166|Cyclic dimethylsiloxane pentamer|Cyclo-decamethylpentasiloxane|Cyclopentadimethylsiloxane|Cyclopentasiloxane|Cyclopentasiloxane, 2,2,4,4,6,6,8,8,10,10-decamethyl-|Cyclopentasiloxane, decamethyl-|D5|DC 345 Fluid|Decamethyl cyclopentasiloxane|Decamethylcyclopentasiloxan|decametilciclopentasiloxano|Dekamethylcyklopentasiloxan|Dimethylsiloxane pentamer|Dow Corning 2-5252C|Dow Corning 245|Dow Corning 245 Fluid|Dow Corning 345|Dow Corning 345 Fluid|Dow Corning 345EU|EINECS 208-764-9|Mirasil CM 5|NUC Silicone VS 7158|Pentacyclomethicone|Silbione 70045V5|Silbione V 5|Silicon Plus a|Silicon SF 1202|Silicone SF 1202|UNII-0THT5PCI0R|Union Carbide 7158 Silicone Fluid|Volasil 245 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027184
ERPathway2016 ERPathway2016_1037 Decamethylcyclopentasiloxane 541-02-6 DTXSID1027184 ER Pathway Model, Agonist Model Score 0 Unitless C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Decamethylcyclopentasiloxane 541-02-6|Decamethylcyclopentasiloxane|4-04-00-04128|Botanisil CP 33|BRN 1800166|Cyclic dimethylsiloxane pentamer|Cyclo-decamethylpentasiloxane|Cyclopentadimethylsiloxane|Cyclopentasiloxane|Cyclopentasiloxane, 2,2,4,4,6,6,8,8,10,10-decamethyl-|Cyclopentasiloxane, decamethyl-|D5|DC 345 Fluid|Decamethyl cyclopentasiloxane|Decamethylcyclopentasiloxan|decametilciclopentasiloxano|Dekamethylcyklopentasiloxan|Dimethylsiloxane pentamer|Dow Corning 2-5252C|Dow Corning 245|Dow Corning 245 Fluid|Dow Corning 345|Dow Corning 345 Fluid|Dow Corning 345EU|EINECS 208-764-9|Mirasil CM 5|NUC Silicone VS 7158|Pentacyclomethicone|Silbione 70045V5|Silbione V 5|Silicon Plus a|Silicon SF 1202|Silicone SF 1202|UNII-0THT5PCI0R|Union Carbide 7158 Silicone Fluid|Volasil 245 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027184
ERPathway2016 ERPathway2016_1037 Decamethylcyclopentasiloxane 541-02-6 DTXSID1027184 ER Pathway Model, Antagonist Model Score 0 Unitless C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Decamethylcyclopentasiloxane 541-02-6|Decamethylcyclopentasiloxane|4-04-00-04128|Botanisil CP 33|BRN 1800166|Cyclic dimethylsiloxane pentamer|Cyclo-decamethylpentasiloxane|Cyclopentadimethylsiloxane|Cyclopentasiloxane|Cyclopentasiloxane, 2,2,4,4,6,6,8,8,10,10-decamethyl-|Cyclopentasiloxane, decamethyl-|D5|DC 345 Fluid|Decamethyl cyclopentasiloxane|Decamethylcyclopentasiloxan|decametilciclopentasiloxano|Dekamethylcyklopentasiloxan|Dimethylsiloxane pentamer|Dow Corning 2-5252C|Dow Corning 245|Dow Corning 245 Fluid|Dow Corning 345|Dow Corning 345 Fluid|Dow Corning 345EU|EINECS 208-764-9|Mirasil CM 5|NUC Silicone VS 7158|Pentacyclomethicone|Silbione 70045V5|Silbione V 5|Silicon Plus a|Silicon SF 1202|Silicone SF 1202|UNII-0THT5PCI0R|Union Carbide 7158 Silicone Fluid|Volasil 245 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027184
ERPathway2016 ERPathway2016_1037 Decamethylcyclopentasiloxane 541-02-6 DTXSID1027184 ER Pathway Model, Agonist Call Inactive Unitless C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Decamethylcyclopentasiloxane 541-02-6|Decamethylcyclopentasiloxane|4-04-00-04128|Botanisil CP 33|BRN 1800166|Cyclic dimethylsiloxane pentamer|Cyclo-decamethylpentasiloxane|Cyclopentadimethylsiloxane|Cyclopentasiloxane|Cyclopentasiloxane, 2,2,4,4,6,6,8,8,10,10-decamethyl-|Cyclopentasiloxane, decamethyl-|D5|DC 345 Fluid|Decamethyl cyclopentasiloxane|Decamethylcyclopentasiloxan|decametilciclopentasiloxano|Dekamethylcyklopentasiloxan|Dimethylsiloxane pentamer|Dow Corning 2-5252C|Dow Corning 245|Dow Corning 245 Fluid|Dow Corning 345|Dow Corning 345 Fluid|Dow Corning 345EU|EINECS 208-764-9|Mirasil CM 5|NUC Silicone VS 7158|Pentacyclomethicone|Silbione 70045V5|Silbione V 5|Silicon Plus a|Silicon SF 1202|Silicone SF 1202|UNII-0THT5PCI0R|Union Carbide 7158 Silicone Fluid|Volasil 245 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027184
ERPathway2016 ERPathway2016_1037 Decamethylcyclopentasiloxane 541-02-6 DTXSID1027184 ER Pathway Model, Antagonist Call Inactive Unitless C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Decamethylcyclopentasiloxane 541-02-6|Decamethylcyclopentasiloxane|4-04-00-04128|Botanisil CP 33|BRN 1800166|Cyclic dimethylsiloxane pentamer|Cyclo-decamethylpentasiloxane|Cyclopentadimethylsiloxane|Cyclopentasiloxane|Cyclopentasiloxane, 2,2,4,4,6,6,8,8,10,10-decamethyl-|Cyclopentasiloxane, decamethyl-|D5|DC 345 Fluid|Decamethyl cyclopentasiloxane|Decamethylcyclopentasiloxan|decametilciclopentasiloxano|Dekamethylcyklopentasiloxan|Dimethylsiloxane pentamer|Dow Corning 2-5252C|Dow Corning 245|Dow Corning 245 Fluid|Dow Corning 345|Dow Corning 345 Fluid|Dow Corning 345EU|EINECS 208-764-9|Mirasil CM 5|NUC Silicone VS 7158|Pentacyclomethicone|Silbione 70045V5|Silbione V 5|Silicon Plus a|Silicon SF 1202|Silicone SF 1202|UNII-0THT5PCI0R|Union Carbide 7158 Silicone Fluid|Volasil 245 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027184
ARPathway2016 ARPathway2016_603 Decanal 112-31-2 DTXSID4021553 0.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCC=O Decanal 112-31-2|Decanal|1-Decanal|1-Decanal(mixed isomers)|1-decyl aldehyde|Aldehyde C-10|ALDEHYDE C-10, STANDARD|Aldehyde c10|BRN 1362530|C-10 Aldehyde|Capraldehyde|Capric aldehyde|CAPRINALDEHYD|Caprinaldehyde|Caprinic aldehyde|Decaldehyde|Decanal (ACD/Name 4.0)|Decanaldehyde|Decyl aldehyde|Decylic aldehyde|EINECS 203-957-4|FEMA No. 2362|n-Decaldehyde|n-Decanal|N-Decanal (capric aldehyde)|n-Decyl aldehyde|NSC 6087|UNII-31Z90Q7KQJ https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021553
ARPathway2016 ARPathway2016_603 Decanal 112-31-2 DTXSID4021553 0.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCC=O Decanal 112-31-2|Decanal|1-Decanal|1-Decanal(mixed isomers)|1-decyl aldehyde|Aldehyde C-10|ALDEHYDE C-10, STANDARD|Aldehyde c10|BRN 1362530|C-10 Aldehyde|Capraldehyde|Capric aldehyde|CAPRINALDEHYD|Caprinaldehyde|Caprinic aldehyde|Decaldehyde|Decanal (ACD/Name 4.0)|Decanaldehyde|Decyl aldehyde|Decylic aldehyde|EINECS 203-957-4|FEMA No. 2362|n-Decaldehyde|n-Decanal|N-Decanal (capric aldehyde)|n-Decyl aldehyde|NSC 6087|UNII-31Z90Q7KQJ https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021553
ARPathway2016 ARPathway2016_603 Decanal 112-31-2 DTXSID4021553 0.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCC=O Decanal 112-31-2|Decanal|1-Decanal|1-Decanal(mixed isomers)|1-decyl aldehyde|Aldehyde C-10|ALDEHYDE C-10, STANDARD|Aldehyde c10|BRN 1362530|C-10 Aldehyde|Capraldehyde|Capric aldehyde|CAPRINALDEHYD|Caprinaldehyde|Caprinic aldehyde|Decaldehyde|Decanal (ACD/Name 4.0)|Decanaldehyde|Decyl aldehyde|Decylic aldehyde|EINECS 203-957-4|FEMA No. 2362|n-Decaldehyde|n-Decanal|N-Decanal (capric aldehyde)|n-Decyl aldehyde|NSC 6087|UNII-31Z90Q7KQJ https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021553
ARPathway2016 ARPathway2016_603 Decanal 112-31-2 DTXSID4021553 0.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCC=O Decanal 112-31-2|Decanal|1-Decanal|1-Decanal(mixed isomers)|1-decyl aldehyde|Aldehyde C-10|ALDEHYDE C-10, STANDARD|Aldehyde c10|BRN 1362530|C-10 Aldehyde|Capraldehyde|Capric aldehyde|CAPRINALDEHYD|Caprinaldehyde|Caprinic aldehyde|Decaldehyde|Decanal (ACD/Name 4.0)|Decanaldehyde|Decyl aldehyde|Decylic aldehyde|EINECS 203-957-4|FEMA No. 2362|n-Decaldehyde|n-Decanal|N-Decanal (capric aldehyde)|n-Decyl aldehyde|NSC 6087|UNII-31Z90Q7KQJ https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021553
ERPathway2016 ERPathway2016_644 Decanal 112-31-2 DTXSID4021553 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCC=O Decanal 112-31-2|Decanal|1-Decanal|1-Decanal(mixed isomers)|1-decyl aldehyde|Aldehyde C-10|ALDEHYDE C-10, STANDARD|Aldehyde c10|BRN 1362530|C-10 Aldehyde|Capraldehyde|Capric aldehyde|CAPRINALDEHYD|Caprinaldehyde|Caprinic aldehyde|Decaldehyde|Decanal (ACD/Name 4.0)|Decanaldehyde|Decyl aldehyde|Decylic aldehyde|EINECS 203-957-4|FEMA No. 2362|n-Decaldehyde|n-Decanal|N-Decanal (capric aldehyde)|n-Decyl aldehyde|NSC 6087|UNII-31Z90Q7KQJ https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021553
ERPathway2016 ERPathway2016_644 Decanal 112-31-2 DTXSID4021553 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCC=O Decanal 112-31-2|Decanal|1-Decanal|1-Decanal(mixed isomers)|1-decyl aldehyde|Aldehyde C-10|ALDEHYDE C-10, STANDARD|Aldehyde c10|BRN 1362530|C-10 Aldehyde|Capraldehyde|Capric aldehyde|CAPRINALDEHYD|Caprinaldehyde|Caprinic aldehyde|Decaldehyde|Decanal (ACD/Name 4.0)|Decanaldehyde|Decyl aldehyde|Decylic aldehyde|EINECS 203-957-4|FEMA No. 2362|n-Decaldehyde|n-Decanal|N-Decanal (capric aldehyde)|n-Decyl aldehyde|NSC 6087|UNII-31Z90Q7KQJ https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021553
ERPathway2016 ERPathway2016_644 Decanal 112-31-2 DTXSID4021553 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCC=O Decanal 112-31-2|Decanal|1-Decanal|1-Decanal(mixed isomers)|1-decyl aldehyde|Aldehyde C-10|ALDEHYDE C-10, STANDARD|Aldehyde c10|BRN 1362530|C-10 Aldehyde|Capraldehyde|Capric aldehyde|CAPRINALDEHYD|Caprinaldehyde|Caprinic aldehyde|Decaldehyde|Decanal (ACD/Name 4.0)|Decanaldehyde|Decyl aldehyde|Decylic aldehyde|EINECS 203-957-4|FEMA No. 2362|n-Decaldehyde|n-Decanal|N-Decanal (capric aldehyde)|n-Decyl aldehyde|NSC 6087|UNII-31Z90Q7KQJ https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021553
ERPathway2016 ERPathway2016_644 Decanal 112-31-2 DTXSID4021553 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCC=O Decanal 112-31-2|Decanal|1-Decanal|1-Decanal(mixed isomers)|1-decyl aldehyde|Aldehyde C-10|ALDEHYDE C-10, STANDARD|Aldehyde c10|BRN 1362530|C-10 Aldehyde|Capraldehyde|Capric aldehyde|CAPRINALDEHYD|Caprinaldehyde|Caprinic aldehyde|Decaldehyde|Decanal (ACD/Name 4.0)|Decanaldehyde|Decyl aldehyde|Decylic aldehyde|EINECS 203-957-4|FEMA No. 2362|n-Decaldehyde|n-Decanal|N-Decanal (capric aldehyde)|n-Decyl aldehyde|NSC 6087|UNII-31Z90Q7KQJ https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021553
ARPathway2016 ARPathway2016_732 Decane 124-18-5 DTXSID6024913 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCC Decane 124-18-5|Decane|4-01-00-00464|BRN 1696981|Cactus Normal Paraffin N 10|Decyl hydride|EINECS 204-686-4|N-DECANE|NSC 8781|UN 2247|UNII-NK85062OIY https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024913
ARPathway2016 ARPathway2016_732 Decane 124-18-5 DTXSID6024913 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCC Decane 124-18-5|Decane|4-01-00-00464|BRN 1696981|Cactus Normal Paraffin N 10|Decyl hydride|EINECS 204-686-4|N-DECANE|NSC 8781|UN 2247|UNII-NK85062OIY https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024913
ARPathway2016 ARPathway2016_732 Decane 124-18-5 DTXSID6024913 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCC Decane 124-18-5|Decane|4-01-00-00464|BRN 1696981|Cactus Normal Paraffin N 10|Decyl hydride|EINECS 204-686-4|N-DECANE|NSC 8781|UN 2247|UNII-NK85062OIY https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024913
ARPathway2016 ARPathway2016_732 Decane 124-18-5 DTXSID6024913 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCC Decane 124-18-5|Decane|4-01-00-00464|BRN 1696981|Cactus Normal Paraffin N 10|Decyl hydride|EINECS 204-686-4|N-DECANE|NSC 8781|UN 2247|UNII-NK85062OIY https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024913
ERPathway2016 ERPathway2016_1244 Decane 124-18-5 DTXSID6024913 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCC Decane 124-18-5|Decane|4-01-00-00464|BRN 1696981|Cactus Normal Paraffin N 10|Decyl hydride|EINECS 204-686-4|N-DECANE|NSC 8781|UN 2247|UNII-NK85062OIY https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024913
ERPathway2016 ERPathway2016_1244 Decane 124-18-5 DTXSID6024913 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCC Decane 124-18-5|Decane|4-01-00-00464|BRN 1696981|Cactus Normal Paraffin N 10|Decyl hydride|EINECS 204-686-4|N-DECANE|NSC 8781|UN 2247|UNII-NK85062OIY https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024913
ERPathway2016 ERPathway2016_1244 Decane 124-18-5 DTXSID6024913 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCC Decane 124-18-5|Decane|4-01-00-00464|BRN 1696981|Cactus Normal Paraffin N 10|Decyl hydride|EINECS 204-686-4|N-DECANE|NSC 8781|UN 2247|UNII-NK85062OIY https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024913
ERPathway2016 ERPathway2016_1244 Decane 124-18-5 DTXSID6024913 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCC Decane 124-18-5|Decane|4-01-00-00464|BRN 1696981|Cactus Normal Paraffin N 10|Decyl hydride|EINECS 204-686-4|N-DECANE|NSC 8781|UN 2247|UNII-NK85062OIY https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024913
ARPathway2016 ARPathway2016_562 Decanedioic acid 111-20-6 DTXSID7026867 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CCCCCCCCC(O)=O Decanedioic acid 111-20-6|Decanedioic acid|1,10-Decanedioate|1,10-Decanedioic acid|1,8-dicarboxyoctane|1,8-Octanedicarboxylate|1,8-OCTANEDICARBOXYLIC ACID|4-02-00-02078|4-Oxodecanedioate|4-Oxodecanedioic acid|4,7-Dioxosebacic acid|Acide sebacique|acido sebacico|BRN 1210591|Decanedicarboxylic acid|Decanedioate|Dicarboxylic acid C10|EINECS 203-845-5|Ipomic acid|N-Decanedioate|n-Decanedioic acid|NSC 19492|NSC 97405|Sebacate|Sebacic acid|Sebacic acids|SEBACINSAEURE|Sebacinsaure|Seracic acid|UNII-97AN39ICTC https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026867
ARPathway2016 ARPathway2016_562 Decanedioic acid 111-20-6 DTXSID7026867 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)CCCCCCCCC(O)=O Decanedioic acid 111-20-6|Decanedioic acid|1,10-Decanedioate|1,10-Decanedioic acid|1,8-dicarboxyoctane|1,8-Octanedicarboxylate|1,8-OCTANEDICARBOXYLIC ACID|4-02-00-02078|4-Oxodecanedioate|4-Oxodecanedioic acid|4,7-Dioxosebacic acid|Acide sebacique|acido sebacico|BRN 1210591|Decanedicarboxylic acid|Decanedioate|Dicarboxylic acid C10|EINECS 203-845-5|Ipomic acid|N-Decanedioate|n-Decanedioic acid|NSC 19492|NSC 97405|Sebacate|Sebacic acid|Sebacic acids|SEBACINSAEURE|Sebacinsaure|Seracic acid|UNII-97AN39ICTC https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026867
ARPathway2016 ARPathway2016_562 Decanedioic acid 111-20-6 DTXSID7026867 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)CCCCCCCCC(O)=O Decanedioic acid 111-20-6|Decanedioic acid|1,10-Decanedioate|1,10-Decanedioic acid|1,8-dicarboxyoctane|1,8-Octanedicarboxylate|1,8-OCTANEDICARBOXYLIC ACID|4-02-00-02078|4-Oxodecanedioate|4-Oxodecanedioic acid|4,7-Dioxosebacic acid|Acide sebacique|acido sebacico|BRN 1210591|Decanedicarboxylic acid|Decanedioate|Dicarboxylic acid C10|EINECS 203-845-5|Ipomic acid|N-Decanedioate|n-Decanedioic acid|NSC 19492|NSC 97405|Sebacate|Sebacic acid|Sebacic acids|SEBACINSAEURE|Sebacinsaure|Seracic acid|UNII-97AN39ICTC https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026867
ARPathway2016 ARPathway2016_562 Decanedioic acid 111-20-6 DTXSID7026867 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)CCCCCCCCC(O)=O Decanedioic acid 111-20-6|Decanedioic acid|1,10-Decanedioate|1,10-Decanedioic acid|1,8-dicarboxyoctane|1,8-Octanedicarboxylate|1,8-OCTANEDICARBOXYLIC ACID|4-02-00-02078|4-Oxodecanedioate|4-Oxodecanedioic acid|4,7-Dioxosebacic acid|Acide sebacique|acido sebacico|BRN 1210591|Decanedicarboxylic acid|Decanedioate|Dicarboxylic acid C10|EINECS 203-845-5|Ipomic acid|N-Decanedioate|n-Decanedioic acid|NSC 19492|NSC 97405|Sebacate|Sebacic acid|Sebacic acids|SEBACINSAEURE|Sebacinsaure|Seracic acid|UNII-97AN39ICTC https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026867
ERPathway2016 ERPathway2016_1148 Decanedioic acid 111-20-6 DTXSID7026867 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)CCCCCCCCC(O)=O Decanedioic acid 111-20-6|Decanedioic acid|1,10-Decanedioate|1,10-Decanedioic acid|1,8-dicarboxyoctane|1,8-Octanedicarboxylate|1,8-OCTANEDICARBOXYLIC ACID|4-02-00-02078|4-Oxodecanedioate|4-Oxodecanedioic acid|4,7-Dioxosebacic acid|Acide sebacique|acido sebacico|BRN 1210591|Decanedicarboxylic acid|Decanedioate|Dicarboxylic acid C10|EINECS 203-845-5|Ipomic acid|N-Decanedioate|n-Decanedioic acid|NSC 19492|NSC 97405|Sebacate|Sebacic acid|Sebacic acids|SEBACINSAEURE|Sebacinsaure|Seracic acid|UNII-97AN39ICTC https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026867
ERPathway2016 ERPathway2016_1148 Decanedioic acid 111-20-6 DTXSID7026867 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CCCCCCCCC(O)=O Decanedioic acid 111-20-6|Decanedioic acid|1,10-Decanedioate|1,10-Decanedioic acid|1,8-dicarboxyoctane|1,8-Octanedicarboxylate|1,8-OCTANEDICARBOXYLIC ACID|4-02-00-02078|4-Oxodecanedioate|4-Oxodecanedioic acid|4,7-Dioxosebacic acid|Acide sebacique|acido sebacico|BRN 1210591|Decanedicarboxylic acid|Decanedioate|Dicarboxylic acid C10|EINECS 203-845-5|Ipomic acid|N-Decanedioate|n-Decanedioic acid|NSC 19492|NSC 97405|Sebacate|Sebacic acid|Sebacic acids|SEBACINSAEURE|Sebacinsaure|Seracic acid|UNII-97AN39ICTC https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026867
ERPathway2016 ERPathway2016_1148 Decanedioic acid 111-20-6 DTXSID7026867 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)CCCCCCCCC(O)=O Decanedioic acid 111-20-6|Decanedioic acid|1,10-Decanedioate|1,10-Decanedioic acid|1,8-dicarboxyoctane|1,8-Octanedicarboxylate|1,8-OCTANEDICARBOXYLIC ACID|4-02-00-02078|4-Oxodecanedioate|4-Oxodecanedioic acid|4,7-Dioxosebacic acid|Acide sebacique|acido sebacico|BRN 1210591|Decanedicarboxylic acid|Decanedioate|Dicarboxylic acid C10|EINECS 203-845-5|Ipomic acid|N-Decanedioate|n-Decanedioic acid|NSC 19492|NSC 97405|Sebacate|Sebacic acid|Sebacic acids|SEBACINSAEURE|Sebacinsaure|Seracic acid|UNII-97AN39ICTC https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026867
ERPathway2016 ERPathway2016_1148 Decanedioic acid 111-20-6 DTXSID7026867 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)CCCCCCCCC(O)=O Decanedioic acid 111-20-6|Decanedioic acid|1,10-Decanedioate|1,10-Decanedioic acid|1,8-dicarboxyoctane|1,8-Octanedicarboxylate|1,8-OCTANEDICARBOXYLIC ACID|4-02-00-02078|4-Oxodecanedioate|4-Oxodecanedioic acid|4,7-Dioxosebacic acid|Acide sebacique|acido sebacico|BRN 1210591|Decanedicarboxylic acid|Decanedioate|Dicarboxylic acid C10|EINECS 203-845-5|Ipomic acid|N-Decanedioate|n-Decanedioic acid|NSC 19492|NSC 97405|Sebacate|Sebacic acid|Sebacic acids|SEBACINSAEURE|Sebacinsaure|Seracic acid|UNII-97AN39ICTC https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026867
ARPathway2016 ARPathway2016_1151 Decanoic acid 334-48-5 DTXSID9021554 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCC(O)=O Decanoic acid 334-48-5|Decanoic acid|1-Nonanecarboxylate|1-Nonanecarboxylic acid|10:0|4-02-00-01041|Acide decanoique|acido decanoico|BRN 1754556|C10 fatty acid|C10:0|Caprate|Capric acid|Caprinate|Caprinic acid|CAPRINSAEURE|Caprynate|Caprynic acid|CH3-[CH2]8-COOH|Decanoate|Decansaure|Decoate|Decoic acid|Decylate|Decylic acid|Dekansaeure|Econosan Acid Sanitizer|EINECS 206-376-4|Emery 659|EPA Pesticide Chemical Code 128955|Fatty acid(C10)|FEMA No. 2364|Hexacid 1095|Kaprinsaeure|Lunac 10-95|Lunac 10-98|N-Caprate|n-Capric acid|N-Decanoate|n-Decanoic acid|N-Decoate|n-Decoic acid|N-Decylate|n-Decylic acid|NSC 5025|Prifac 2906|Prifac 296|UNII-4G9EDB6V73 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021554 https://doi.org/10.22427/NTP-DATA-DTXSID9021554
ARPathway2016 ARPathway2016_1151 Decanoic acid 334-48-5 DTXSID9021554 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCC(O)=O Decanoic acid 334-48-5|Decanoic acid|1-Nonanecarboxylate|1-Nonanecarboxylic acid|10:0|4-02-00-01041|Acide decanoique|acido decanoico|BRN 1754556|C10 fatty acid|C10:0|Caprate|Capric acid|Caprinate|Caprinic acid|CAPRINSAEURE|Caprynate|Caprynic acid|CH3-[CH2]8-COOH|Decanoate|Decansaure|Decoate|Decoic acid|Decylate|Decylic acid|Dekansaeure|Econosan Acid Sanitizer|EINECS 206-376-4|Emery 659|EPA Pesticide Chemical Code 128955|Fatty acid(C10)|FEMA No. 2364|Hexacid 1095|Kaprinsaeure|Lunac 10-95|Lunac 10-98|N-Caprate|n-Capric acid|N-Decanoate|n-Decanoic acid|N-Decoate|n-Decoic acid|N-Decylate|n-Decylic acid|NSC 5025|Prifac 2906|Prifac 296|UNII-4G9EDB6V73 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021554 https://doi.org/10.22427/NTP-DATA-DTXSID9021554
ARPathway2016 ARPathway2016_1151 Decanoic acid 334-48-5 DTXSID9021554 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCC(O)=O Decanoic acid 334-48-5|Decanoic acid|1-Nonanecarboxylate|1-Nonanecarboxylic acid|10:0|4-02-00-01041|Acide decanoique|acido decanoico|BRN 1754556|C10 fatty acid|C10:0|Caprate|Capric acid|Caprinate|Caprinic acid|CAPRINSAEURE|Caprynate|Caprynic acid|CH3-[CH2]8-COOH|Decanoate|Decansaure|Decoate|Decoic acid|Decylate|Decylic acid|Dekansaeure|Econosan Acid Sanitizer|EINECS 206-376-4|Emery 659|EPA Pesticide Chemical Code 128955|Fatty acid(C10)|FEMA No. 2364|Hexacid 1095|Kaprinsaeure|Lunac 10-95|Lunac 10-98|N-Caprate|n-Capric acid|N-Decanoate|n-Decanoic acid|N-Decoate|n-Decoic acid|N-Decylate|n-Decylic acid|NSC 5025|Prifac 2906|Prifac 296|UNII-4G9EDB6V73 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021554 https://doi.org/10.22427/NTP-DATA-DTXSID9021554
ARPathway2016 ARPathway2016_1151 Decanoic acid 334-48-5 DTXSID9021554 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCC(O)=O Decanoic acid 334-48-5|Decanoic acid|1-Nonanecarboxylate|1-Nonanecarboxylic acid|10:0|4-02-00-01041|Acide decanoique|acido decanoico|BRN 1754556|C10 fatty acid|C10:0|Caprate|Capric acid|Caprinate|Caprinic acid|CAPRINSAEURE|Caprynate|Caprynic acid|CH3-[CH2]8-COOH|Decanoate|Decansaure|Decoate|Decoic acid|Decylate|Decylic acid|Dekansaeure|Econosan Acid Sanitizer|EINECS 206-376-4|Emery 659|EPA Pesticide Chemical Code 128955|Fatty acid(C10)|FEMA No. 2364|Hexacid 1095|Kaprinsaeure|Lunac 10-95|Lunac 10-98|N-Caprate|n-Capric acid|N-Decanoate|n-Decanoic acid|N-Decoate|n-Decoic acid|N-Decylate|n-Decylic acid|NSC 5025|Prifac 2906|Prifac 296|UNII-4G9EDB6V73 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021554 https://doi.org/10.22427/NTP-DATA-DTXSID9021554
ERPathway2016 ERPathway2016_512 Decanoic acid 334-48-5 DTXSID9021554 R6 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCC(O)=O Decanoic acid 334-48-5|Decanoic acid|1-Nonanecarboxylate|1-Nonanecarboxylic acid|10:0|4-02-00-01041|Acide decanoique|acido decanoico|BRN 1754556|C10 fatty acid|C10:0|Caprate|Capric acid|Caprinate|Caprinic acid|CAPRINSAEURE|Caprynate|Caprynic acid|CH3-[CH2]8-COOH|Decanoate|Decansaure|Decoate|Decoic acid|Decylate|Decylic acid|Dekansaeure|Econosan Acid Sanitizer|EINECS 206-376-4|Emery 659|EPA Pesticide Chemical Code 128955|Fatty acid(C10)|FEMA No. 2364|Hexacid 1095|Kaprinsaeure|Lunac 10-95|Lunac 10-98|N-Caprate|n-Capric acid|N-Decanoate|n-Decanoic acid|N-Decoate|n-Decoic acid|N-Decylate|n-Decylic acid|NSC 5025|Prifac 2906|Prifac 296|UNII-4G9EDB6V73 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021554 https://doi.org/10.22427/NTP-DATA-DTXSID9021554
ERPathway2016 ERPathway2016_512 Decanoic acid 334-48-5 DTXSID9021554 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCC(O)=O Decanoic acid 334-48-5|Decanoic acid|1-Nonanecarboxylate|1-Nonanecarboxylic acid|10:0|4-02-00-01041|Acide decanoique|acido decanoico|BRN 1754556|C10 fatty acid|C10:0|Caprate|Capric acid|Caprinate|Caprinic acid|CAPRINSAEURE|Caprynate|Caprynic acid|CH3-[CH2]8-COOH|Decanoate|Decansaure|Decoate|Decoic acid|Decylate|Decylic acid|Dekansaeure|Econosan Acid Sanitizer|EINECS 206-376-4|Emery 659|EPA Pesticide Chemical Code 128955|Fatty acid(C10)|FEMA No. 2364|Hexacid 1095|Kaprinsaeure|Lunac 10-95|Lunac 10-98|N-Caprate|n-Capric acid|N-Decanoate|n-Decanoic acid|N-Decoate|n-Decoic acid|N-Decylate|n-Decylic acid|NSC 5025|Prifac 2906|Prifac 296|UNII-4G9EDB6V73 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021554 https://doi.org/10.22427/NTP-DATA-DTXSID9021554
ERPathway2016 ERPathway2016_512 Decanoic acid 334-48-5 DTXSID9021554 R6 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCC(O)=O Decanoic acid 334-48-5|Decanoic acid|1-Nonanecarboxylate|1-Nonanecarboxylic acid|10:0|4-02-00-01041|Acide decanoique|acido decanoico|BRN 1754556|C10 fatty acid|C10:0|Caprate|Capric acid|Caprinate|Caprinic acid|CAPRINSAEURE|Caprynate|Caprynic acid|CH3-[CH2]8-COOH|Decanoate|Decansaure|Decoate|Decoic acid|Decylate|Decylic acid|Dekansaeure|Econosan Acid Sanitizer|EINECS 206-376-4|Emery 659|EPA Pesticide Chemical Code 128955|Fatty acid(C10)|FEMA No. 2364|Hexacid 1095|Kaprinsaeure|Lunac 10-95|Lunac 10-98|N-Caprate|n-Capric acid|N-Decanoate|n-Decanoic acid|N-Decoate|n-Decoic acid|N-Decylate|n-Decylic acid|NSC 5025|Prifac 2906|Prifac 296|UNII-4G9EDB6V73 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021554 https://doi.org/10.22427/NTP-DATA-DTXSID9021554
ERPathway2016 ERPathway2016_512 Decanoic acid 334-48-5 DTXSID9021554 R6 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCC(O)=O Decanoic acid 334-48-5|Decanoic acid|1-Nonanecarboxylate|1-Nonanecarboxylic acid|10:0|4-02-00-01041|Acide decanoique|acido decanoico|BRN 1754556|C10 fatty acid|C10:0|Caprate|Capric acid|Caprinate|Caprinic acid|CAPRINSAEURE|Caprynate|Caprynic acid|CH3-[CH2]8-COOH|Decanoate|Decansaure|Decoate|Decoic acid|Decylate|Decylic acid|Dekansaeure|Econosan Acid Sanitizer|EINECS 206-376-4|Emery 659|EPA Pesticide Chemical Code 128955|Fatty acid(C10)|FEMA No. 2364|Hexacid 1095|Kaprinsaeure|Lunac 10-95|Lunac 10-98|N-Caprate|n-Capric acid|N-Decanoate|n-Decanoic acid|N-Decoate|n-Decoic acid|N-Decylate|n-Decylic acid|NSC 5025|Prifac 2906|Prifac 296|UNII-4G9EDB6V73 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021554 https://doi.org/10.22427/NTP-DATA-DTXSID9021554
ARPathway2016 ARPathway2016_1366 Decyl beta-D-glucopyranoside 58846-77-8 DTXSID2041208 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Decyl beta-D-glucopyranoside 58846-77-8|Decyl beta-D-glucopyranoside|1-O-Decyl-b-D-glucopyranoside|AG 10 (carbohydrate)|Decyl glucoside|Decyl b-D-glucopyranoside|Decyl b-D-glucoside|Decyl b-glucopyranoside|Decyl b-glucoside|Decyl-b-D-glucopyranosid|EINECS 261-469-7|n-Decyl b-D-glucopyranoside|n-Decyl-b-glucoside|Oramix NS 10|Plantacare 818|Plantaren PS 100|Plantaren W 2000|UNII-Z17H97EA6Y|b-D-glucopiranosido de decilo|b-D-glucopyrannoside de decyle|b- D- Glucopyranoside, decyl|124828-32-6|148406-76-2|150679-30-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041208
ARPathway2016 ARPathway2016_1366 Decyl beta-D-glucopyranoside 58846-77-8 DTXSID2041208 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Decyl beta-D-glucopyranoside 58846-77-8|Decyl beta-D-glucopyranoside|1-O-Decyl-b-D-glucopyranoside|AG 10 (carbohydrate)|Decyl glucoside|Decyl b-D-glucopyranoside|Decyl b-D-glucoside|Decyl b-glucopyranoside|Decyl b-glucoside|Decyl-b-D-glucopyranosid|EINECS 261-469-7|n-Decyl b-D-glucopyranoside|n-Decyl-b-glucoside|Oramix NS 10|Plantacare 818|Plantaren PS 100|Plantaren W 2000|UNII-Z17H97EA6Y|b-D-glucopiranosido de decilo|b-D-glucopyrannoside de decyle|b- D- Glucopyranoside, decyl|124828-32-6|148406-76-2|150679-30-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041208
ARPathway2016 ARPathway2016_1366 Decyl beta-D-glucopyranoside 58846-77-8 DTXSID2041208 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Decyl beta-D-glucopyranoside 58846-77-8|Decyl beta-D-glucopyranoside|1-O-Decyl-b-D-glucopyranoside|AG 10 (carbohydrate)|Decyl glucoside|Decyl b-D-glucopyranoside|Decyl b-D-glucoside|Decyl b-glucopyranoside|Decyl b-glucoside|Decyl-b-D-glucopyranosid|EINECS 261-469-7|n-Decyl b-D-glucopyranoside|n-Decyl-b-glucoside|Oramix NS 10|Plantacare 818|Plantaren PS 100|Plantaren W 2000|UNII-Z17H97EA6Y|b-D-glucopiranosido de decilo|b-D-glucopyrannoside de decyle|b- D- Glucopyranoside, decyl|124828-32-6|148406-76-2|150679-30-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041208
ARPathway2016 ARPathway2016_1366 Decyl beta-D-glucopyranoside 58846-77-8 DTXSID2041208 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Decyl beta-D-glucopyranoside 58846-77-8|Decyl beta-D-glucopyranoside|1-O-Decyl-b-D-glucopyranoside|AG 10 (carbohydrate)|Decyl glucoside|Decyl b-D-glucopyranoside|Decyl b-D-glucoside|Decyl b-glucopyranoside|Decyl b-glucoside|Decyl-b-D-glucopyranosid|EINECS 261-469-7|n-Decyl b-D-glucopyranoside|n-Decyl-b-glucoside|Oramix NS 10|Plantacare 818|Plantaren PS 100|Plantaren W 2000|UNII-Z17H97EA6Y|b-D-glucopiranosido de decilo|b-D-glucopyrannoside de decyle|b- D- Glucopyranoside, decyl|124828-32-6|148406-76-2|150679-30-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041208
ERPathway2016 ERPathway2016_503 Decyl beta-D-glucopyranoside 58846-77-8 DTXSID2041208 R8 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Decyl beta-D-glucopyranoside 58846-77-8|Decyl beta-D-glucopyranoside|1-O-Decyl-b-D-glucopyranoside|AG 10 (carbohydrate)|Decyl glucoside|Decyl b-D-glucopyranoside|Decyl b-D-glucoside|Decyl b-glucopyranoside|Decyl b-glucoside|Decyl-b-D-glucopyranosid|EINECS 261-469-7|n-Decyl b-D-glucopyranoside|n-Decyl-b-glucoside|Oramix NS 10|Plantacare 818|Plantaren PS 100|Plantaren W 2000|UNII-Z17H97EA6Y|b-D-glucopiranosido de decilo|b-D-glucopyrannoside de decyle|b- D- Glucopyranoside, decyl|124828-32-6|148406-76-2|150679-30-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041208
ERPathway2016 ERPathway2016_503 Decyl beta-D-glucopyranoside 58846-77-8 DTXSID2041208 R8 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Decyl beta-D-glucopyranoside 58846-77-8|Decyl beta-D-glucopyranoside|1-O-Decyl-b-D-glucopyranoside|AG 10 (carbohydrate)|Decyl glucoside|Decyl b-D-glucopyranoside|Decyl b-D-glucoside|Decyl b-glucopyranoside|Decyl b-glucoside|Decyl-b-D-glucopyranosid|EINECS 261-469-7|n-Decyl b-D-glucopyranoside|n-Decyl-b-glucoside|Oramix NS 10|Plantacare 818|Plantaren PS 100|Plantaren W 2000|UNII-Z17H97EA6Y|b-D-glucopiranosido de decilo|b-D-glucopyrannoside de decyle|b- D- Glucopyranoside, decyl|124828-32-6|148406-76-2|150679-30-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041208
ERPathway2016 ERPathway2016_503 Decyl beta-D-glucopyranoside 58846-77-8 DTXSID2041208 R8 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Decyl beta-D-glucopyranoside 58846-77-8|Decyl beta-D-glucopyranoside|1-O-Decyl-b-D-glucopyranoside|AG 10 (carbohydrate)|Decyl glucoside|Decyl b-D-glucopyranoside|Decyl b-D-glucoside|Decyl b-glucopyranoside|Decyl b-glucoside|Decyl-b-D-glucopyranosid|EINECS 261-469-7|n-Decyl b-D-glucopyranoside|n-Decyl-b-glucoside|Oramix NS 10|Plantacare 818|Plantaren PS 100|Plantaren W 2000|UNII-Z17H97EA6Y|b-D-glucopiranosido de decilo|b-D-glucopyrannoside de decyle|b- D- Glucopyranoside, decyl|124828-32-6|148406-76-2|150679-30-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041208
ERPathway2016 ERPathway2016_503 Decyl beta-D-glucopyranoside 58846-77-8 DTXSID2041208 R8 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Decyl beta-D-glucopyranoside 58846-77-8|Decyl beta-D-glucopyranoside|1-O-Decyl-b-D-glucopyranoside|AG 10 (carbohydrate)|Decyl glucoside|Decyl b-D-glucopyranoside|Decyl b-D-glucoside|Decyl b-glucopyranoside|Decyl b-glucoside|Decyl-b-D-glucopyranosid|EINECS 261-469-7|n-Decyl b-D-glucopyranoside|n-Decyl-b-glucoside|Oramix NS 10|Plantacare 818|Plantaren PS 100|Plantaren W 2000|UNII-Z17H97EA6Y|b-D-glucopiranosido de decilo|b-D-glucopyrannoside de decyle|b- D- Glucopyranoside, decyl|124828-32-6|148406-76-2|150679-30-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041208
ARPathway2016 ARPathway2016_799 DEET 134-62-3 DTXSID2021995 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCN(CC)C(=O)C1=CC=CC(C)=C1 DEET 134-62-3|DEET|3-Methyl-N,N-diethylbenzamide|Amincene C 140|Amincene C-EM|Amway Hour Guard|Benzamide, N,N-diethyl-3-methyl-|Bepper DET|BRN 2046711|Caswell No. 346|Cutter Unscented|DEET (N,N-diethyl-meta-toluamide)|Delphene|Detamide|Dieltamid|diethyl toluamide|Diethyl-m-toluamide|Diethyltoluamide|Diethyltoluamidum|Dietiltoluamida|EINECS 205-149-7|EPA Pesticide Chemical Code 080301|Finish MIT|m-Delphene|m-Toluamide, N,N-diethyl-|m-Toluic acid diethylamide|M-TOLYLSAEURE-DIAETHYLAMID|Metadelfene|Metadelphene|MGK diethyltoluamide|N,N-Diethyl-3-methylbenzamide|N,N-Diethyl-3-methylbenzoylamide|N,N-Diethyl-m-methylbenzamide|N,N-Diethyl-m-toluamid|N,N-Diethyl-m-toluamide|N,N-Diethyl-m-tolylamide|N,N-Diethyl-meta-toluamide|N,N-dietil-m-toluamida|Naugatuck DET|NSC 33840|Off! Skintastic|Repper DET|Repper-DET|Repudin-Special|Sawyer Control Release Formula|Sawyer Controlled-Release|Ultrathon|UNII-FB0C1XZV4Y|Vaseline Mosquito Repellent|94271-03-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021995 https://doi.org/10.22427/NTP-DATA-DTXSID2021995
ARPathway2016 ARPathway2016_799 DEET 134-62-3 DTXSID2021995 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCN(CC)C(=O)C1=CC=CC(C)=C1 DEET 134-62-3|DEET|3-Methyl-N,N-diethylbenzamide|Amincene C 140|Amincene C-EM|Amway Hour Guard|Benzamide, N,N-diethyl-3-methyl-|Bepper DET|BRN 2046711|Caswell No. 346|Cutter Unscented|DEET (N,N-diethyl-meta-toluamide)|Delphene|Detamide|Dieltamid|diethyl toluamide|Diethyl-m-toluamide|Diethyltoluamide|Diethyltoluamidum|Dietiltoluamida|EINECS 205-149-7|EPA Pesticide Chemical Code 080301|Finish MIT|m-Delphene|m-Toluamide, N,N-diethyl-|m-Toluic acid diethylamide|M-TOLYLSAEURE-DIAETHYLAMID|Metadelfene|Metadelphene|MGK diethyltoluamide|N,N-Diethyl-3-methylbenzamide|N,N-Diethyl-3-methylbenzoylamide|N,N-Diethyl-m-methylbenzamide|N,N-Diethyl-m-toluamid|N,N-Diethyl-m-toluamide|N,N-Diethyl-m-tolylamide|N,N-Diethyl-meta-toluamide|N,N-dietil-m-toluamida|Naugatuck DET|NSC 33840|Off! Skintastic|Repper DET|Repper-DET|Repudin-Special|Sawyer Control Release Formula|Sawyer Controlled-Release|Ultrathon|UNII-FB0C1XZV4Y|Vaseline Mosquito Repellent|94271-03-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021995 https://doi.org/10.22427/NTP-DATA-DTXSID2021995
ARPathway2016 ARPathway2016_799 DEET 134-62-3 DTXSID2021995 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCN(CC)C(=O)C1=CC=CC(C)=C1 DEET 134-62-3|DEET|3-Methyl-N,N-diethylbenzamide|Amincene C 140|Amincene C-EM|Amway Hour Guard|Benzamide, N,N-diethyl-3-methyl-|Bepper DET|BRN 2046711|Caswell No. 346|Cutter Unscented|DEET (N,N-diethyl-meta-toluamide)|Delphene|Detamide|Dieltamid|diethyl toluamide|Diethyl-m-toluamide|Diethyltoluamide|Diethyltoluamidum|Dietiltoluamida|EINECS 205-149-7|EPA Pesticide Chemical Code 080301|Finish MIT|m-Delphene|m-Toluamide, N,N-diethyl-|m-Toluic acid diethylamide|M-TOLYLSAEURE-DIAETHYLAMID|Metadelfene|Metadelphene|MGK diethyltoluamide|N,N-Diethyl-3-methylbenzamide|N,N-Diethyl-3-methylbenzoylamide|N,N-Diethyl-m-methylbenzamide|N,N-Diethyl-m-toluamid|N,N-Diethyl-m-toluamide|N,N-Diethyl-m-tolylamide|N,N-Diethyl-meta-toluamide|N,N-dietil-m-toluamida|Naugatuck DET|NSC 33840|Off! Skintastic|Repper DET|Repper-DET|Repudin-Special|Sawyer Control Release Formula|Sawyer Controlled-Release|Ultrathon|UNII-FB0C1XZV4Y|Vaseline Mosquito Repellent|94271-03-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021995 https://doi.org/10.22427/NTP-DATA-DTXSID2021995
ARPathway2016 ARPathway2016_799 DEET 134-62-3 DTXSID2021995 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCN(CC)C(=O)C1=CC=CC(C)=C1 DEET 134-62-3|DEET|3-Methyl-N,N-diethylbenzamide|Amincene C 140|Amincene C-EM|Amway Hour Guard|Benzamide, N,N-diethyl-3-methyl-|Bepper DET|BRN 2046711|Caswell No. 346|Cutter Unscented|DEET (N,N-diethyl-meta-toluamide)|Delphene|Detamide|Dieltamid|diethyl toluamide|Diethyl-m-toluamide|Diethyltoluamide|Diethyltoluamidum|Dietiltoluamida|EINECS 205-149-7|EPA Pesticide Chemical Code 080301|Finish MIT|m-Delphene|m-Toluamide, N,N-diethyl-|m-Toluic acid diethylamide|M-TOLYLSAEURE-DIAETHYLAMID|Metadelfene|Metadelphene|MGK diethyltoluamide|N,N-Diethyl-3-methylbenzamide|N,N-Diethyl-3-methylbenzoylamide|N,N-Diethyl-m-methylbenzamide|N,N-Diethyl-m-toluamid|N,N-Diethyl-m-toluamide|N,N-Diethyl-m-tolylamide|N,N-Diethyl-meta-toluamide|N,N-dietil-m-toluamida|Naugatuck DET|NSC 33840|Off! Skintastic|Repper DET|Repper-DET|Repudin-Special|Sawyer Control Release Formula|Sawyer Controlled-Release|Ultrathon|UNII-FB0C1XZV4Y|Vaseline Mosquito Repellent|94271-03-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021995 https://doi.org/10.22427/NTP-DATA-DTXSID2021995
ERPathway2016 ERPathway2016_856 DEET 134-62-3 DTXSID2021995 ER Pathway Model, Agonist Model Score 0 Unitless CCN(CC)C(=O)C1=CC=CC(C)=C1 DEET 134-62-3|DEET|3-Methyl-N,N-diethylbenzamide|Amincene C 140|Amincene C-EM|Amway Hour Guard|Benzamide, N,N-diethyl-3-methyl-|Bepper DET|BRN 2046711|Caswell No. 346|Cutter Unscented|DEET (N,N-diethyl-meta-toluamide)|Delphene|Detamide|Dieltamid|diethyl toluamide|Diethyl-m-toluamide|Diethyltoluamide|Diethyltoluamidum|Dietiltoluamida|EINECS 205-149-7|EPA Pesticide Chemical Code 080301|Finish MIT|m-Delphene|m-Toluamide, N,N-diethyl-|m-Toluic acid diethylamide|M-TOLYLSAEURE-DIAETHYLAMID|Metadelfene|Metadelphene|MGK diethyltoluamide|N,N-Diethyl-3-methylbenzamide|N,N-Diethyl-3-methylbenzoylamide|N,N-Diethyl-m-methylbenzamide|N,N-Diethyl-m-toluamid|N,N-Diethyl-m-toluamide|N,N-Diethyl-m-tolylamide|N,N-Diethyl-meta-toluamide|N,N-dietil-m-toluamida|Naugatuck DET|NSC 33840|Off! Skintastic|Repper DET|Repper-DET|Repudin-Special|Sawyer Control Release Formula|Sawyer Controlled-Release|Ultrathon|UNII-FB0C1XZV4Y|Vaseline Mosquito Repellent|94271-03-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021995 https://doi.org/10.22427/NTP-DATA-DTXSID2021995
ERPathway2016 ERPathway2016_856 DEET 134-62-3 DTXSID2021995 ER Pathway Model, Antagonist Model Score 0 Unitless CCN(CC)C(=O)C1=CC=CC(C)=C1 DEET 134-62-3|DEET|3-Methyl-N,N-diethylbenzamide|Amincene C 140|Amincene C-EM|Amway Hour Guard|Benzamide, N,N-diethyl-3-methyl-|Bepper DET|BRN 2046711|Caswell No. 346|Cutter Unscented|DEET (N,N-diethyl-meta-toluamide)|Delphene|Detamide|Dieltamid|diethyl toluamide|Diethyl-m-toluamide|Diethyltoluamide|Diethyltoluamidum|Dietiltoluamida|EINECS 205-149-7|EPA Pesticide Chemical Code 080301|Finish MIT|m-Delphene|m-Toluamide, N,N-diethyl-|m-Toluic acid diethylamide|M-TOLYLSAEURE-DIAETHYLAMID|Metadelfene|Metadelphene|MGK diethyltoluamide|N,N-Diethyl-3-methylbenzamide|N,N-Diethyl-3-methylbenzoylamide|N,N-Diethyl-m-methylbenzamide|N,N-Diethyl-m-toluamid|N,N-Diethyl-m-toluamide|N,N-Diethyl-m-tolylamide|N,N-Diethyl-meta-toluamide|N,N-dietil-m-toluamida|Naugatuck DET|NSC 33840|Off! Skintastic|Repper DET|Repper-DET|Repudin-Special|Sawyer Control Release Formula|Sawyer Controlled-Release|Ultrathon|UNII-FB0C1XZV4Y|Vaseline Mosquito Repellent|94271-03-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021995 https://doi.org/10.22427/NTP-DATA-DTXSID2021995
ERPathway2016 ERPathway2016_856 DEET 134-62-3 DTXSID2021995 ER Pathway Model, Agonist Call Inactive Unitless CCN(CC)C(=O)C1=CC=CC(C)=C1 DEET 134-62-3|DEET|3-Methyl-N,N-diethylbenzamide|Amincene C 140|Amincene C-EM|Amway Hour Guard|Benzamide, N,N-diethyl-3-methyl-|Bepper DET|BRN 2046711|Caswell No. 346|Cutter Unscented|DEET (N,N-diethyl-meta-toluamide)|Delphene|Detamide|Dieltamid|diethyl toluamide|Diethyl-m-toluamide|Diethyltoluamide|Diethyltoluamidum|Dietiltoluamida|EINECS 205-149-7|EPA Pesticide Chemical Code 080301|Finish MIT|m-Delphene|m-Toluamide, N,N-diethyl-|m-Toluic acid diethylamide|M-TOLYLSAEURE-DIAETHYLAMID|Metadelfene|Metadelphene|MGK diethyltoluamide|N,N-Diethyl-3-methylbenzamide|N,N-Diethyl-3-methylbenzoylamide|N,N-Diethyl-m-methylbenzamide|N,N-Diethyl-m-toluamid|N,N-Diethyl-m-toluamide|N,N-Diethyl-m-tolylamide|N,N-Diethyl-meta-toluamide|N,N-dietil-m-toluamida|Naugatuck DET|NSC 33840|Off! Skintastic|Repper DET|Repper-DET|Repudin-Special|Sawyer Control Release Formula|Sawyer Controlled-Release|Ultrathon|UNII-FB0C1XZV4Y|Vaseline Mosquito Repellent|94271-03-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021995 https://doi.org/10.22427/NTP-DATA-DTXSID2021995
ERPathway2016 ERPathway2016_856 DEET 134-62-3 DTXSID2021995 ER Pathway Model, Antagonist Call Inactive Unitless CCN(CC)C(=O)C1=CC=CC(C)=C1 DEET 134-62-3|DEET|3-Methyl-N,N-diethylbenzamide|Amincene C 140|Amincene C-EM|Amway Hour Guard|Benzamide, N,N-diethyl-3-methyl-|Bepper DET|BRN 2046711|Caswell No. 346|Cutter Unscented|DEET (N,N-diethyl-meta-toluamide)|Delphene|Detamide|Dieltamid|diethyl toluamide|Diethyl-m-toluamide|Diethyltoluamide|Diethyltoluamidum|Dietiltoluamida|EINECS 205-149-7|EPA Pesticide Chemical Code 080301|Finish MIT|m-Delphene|m-Toluamide, N,N-diethyl-|m-Toluic acid diethylamide|M-TOLYLSAEURE-DIAETHYLAMID|Metadelfene|Metadelphene|MGK diethyltoluamide|N,N-Diethyl-3-methylbenzamide|N,N-Diethyl-3-methylbenzoylamide|N,N-Diethyl-m-methylbenzamide|N,N-Diethyl-m-toluamid|N,N-Diethyl-m-toluamide|N,N-Diethyl-m-tolylamide|N,N-Diethyl-meta-toluamide|N,N-dietil-m-toluamida|Naugatuck DET|NSC 33840|Off! Skintastic|Repper DET|Repper-DET|Repudin-Special|Sawyer Control Release Formula|Sawyer Controlled-Release|Ultrathon|UNII-FB0C1XZV4Y|Vaseline Mosquito Repellent|94271-03-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021995 https://doi.org/10.22427/NTP-DATA-DTXSID2021995
ARPathway2016 ARPathway2016_1270 Dehydroacetic acid 520-45-6 DTXSID6020014 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C1C(=O)OC(C)=CC1=O Dehydroacetic acid 520-45-6|Dehydroacetic acid|2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid, delta-lactone|2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-methyl-|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-|3-acetil-6-metil-2H-pirano-2,4(3H)-diona|3-Acety;-6-methylpyran-2,4(3H)-dione|3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one|3-Acetyl-6-methyl-1-oxacyclohex-5-ene-2,4-dione|3-Acetyl-6-methyl-2,4-pyrandione|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dion|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione. enol form|3-Acetyl-6-methyl-2H-pyrane-2,4(3H)-dione|3-acetyl-6-methyl-2H-pyranne-2,4(3H)-dione|3-Acetyl-6-methyldihydropyrandione-2,4|3-Acetyl-6-methylpyran-2,4(3H)-dione|4-17-00-06699|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, delta-lactone|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, d-lactone|Acetic acid, dehydro-|Biocide 470F|BRN 0006129|Caswell No. 278|Dehydracetic acid|DEHYDRACETSAEURE|DHA (VAN)|DHAA|DHS|EINECS 208-293-9|EPA Pesticide Chemical Code 027801|Geogard 111A|Kyselina dehydroacetova|Methylacetopyronone|NSC 139150|NSC 8770|UNII-2KAG27|53488-80-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020014
ARPathway2016 ARPathway2016_1270 Dehydroacetic acid 520-45-6 DTXSID6020014 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)C1C(=O)OC(C)=CC1=O Dehydroacetic acid 520-45-6|Dehydroacetic acid|2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid, delta-lactone|2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-methyl-|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-|3-acetil-6-metil-2H-pirano-2,4(3H)-diona|3-Acety;-6-methylpyran-2,4(3H)-dione|3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one|3-Acetyl-6-methyl-1-oxacyclohex-5-ene-2,4-dione|3-Acetyl-6-methyl-2,4-pyrandione|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dion|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione. enol form|3-Acetyl-6-methyl-2H-pyrane-2,4(3H)-dione|3-acetyl-6-methyl-2H-pyranne-2,4(3H)-dione|3-Acetyl-6-methyldihydropyrandione-2,4|3-Acetyl-6-methylpyran-2,4(3H)-dione|4-17-00-06699|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, delta-lactone|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, d-lactone|Acetic acid, dehydro-|Biocide 470F|BRN 0006129|Caswell No. 278|Dehydracetic acid|DEHYDRACETSAEURE|DHA (VAN)|DHAA|DHS|EINECS 208-293-9|EPA Pesticide Chemical Code 027801|Geogard 111A|Kyselina dehydroacetova|Methylacetopyronone|NSC 139150|NSC 8770|UNII-2KAG27|53488-80-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020014
ARPathway2016 ARPathway2016_1270 Dehydroacetic acid 520-45-6 DTXSID6020014 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)C1C(=O)OC(C)=CC1=O Dehydroacetic acid 520-45-6|Dehydroacetic acid|2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid, delta-lactone|2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-methyl-|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-|3-acetil-6-metil-2H-pirano-2,4(3H)-diona|3-Acety;-6-methylpyran-2,4(3H)-dione|3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one|3-Acetyl-6-methyl-1-oxacyclohex-5-ene-2,4-dione|3-Acetyl-6-methyl-2,4-pyrandione|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dion|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione. enol form|3-Acetyl-6-methyl-2H-pyrane-2,4(3H)-dione|3-acetyl-6-methyl-2H-pyranne-2,4(3H)-dione|3-Acetyl-6-methyldihydropyrandione-2,4|3-Acetyl-6-methylpyran-2,4(3H)-dione|4-17-00-06699|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, delta-lactone|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, d-lactone|Acetic acid, dehydro-|Biocide 470F|BRN 0006129|Caswell No. 278|Dehydracetic acid|DEHYDRACETSAEURE|DHA (VAN)|DHAA|DHS|EINECS 208-293-9|EPA Pesticide Chemical Code 027801|Geogard 111A|Kyselina dehydroacetova|Methylacetopyronone|NSC 139150|NSC 8770|UNII-2KAG27|53488-80-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020014
ARPathway2016 ARPathway2016_1270 Dehydroacetic acid 520-45-6 DTXSID6020014 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)C1C(=O)OC(C)=CC1=O Dehydroacetic acid 520-45-6|Dehydroacetic acid|2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid, delta-lactone|2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-methyl-|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-|3-acetil-6-metil-2H-pirano-2,4(3H)-diona|3-Acety;-6-methylpyran-2,4(3H)-dione|3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one|3-Acetyl-6-methyl-1-oxacyclohex-5-ene-2,4-dione|3-Acetyl-6-methyl-2,4-pyrandione|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dion|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione. enol form|3-Acetyl-6-methyl-2H-pyrane-2,4(3H)-dione|3-acetyl-6-methyl-2H-pyranne-2,4(3H)-dione|3-Acetyl-6-methyldihydropyrandione-2,4|3-Acetyl-6-methylpyran-2,4(3H)-dione|4-17-00-06699|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, delta-lactone|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, d-lactone|Acetic acid, dehydro-|Biocide 470F|BRN 0006129|Caswell No. 278|Dehydracetic acid|DEHYDRACETSAEURE|DHA (VAN)|DHAA|DHS|EINECS 208-293-9|EPA Pesticide Chemical Code 027801|Geogard 111A|Kyselina dehydroacetova|Methylacetopyronone|NSC 139150|NSC 8770|UNII-2KAG27|53488-80-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020014
ERPathway2016 ERPathway2016_1508 Dehydroacetic acid 520-45-6 DTXSID6020014 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)C1C(=O)OC(C)=CC1=O Dehydroacetic acid 520-45-6|Dehydroacetic acid|2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid, delta-lactone|2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-methyl-|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-|3-acetil-6-metil-2H-pirano-2,4(3H)-diona|3-Acety;-6-methylpyran-2,4(3H)-dione|3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one|3-Acetyl-6-methyl-1-oxacyclohex-5-ene-2,4-dione|3-Acetyl-6-methyl-2,4-pyrandione|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dion|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione. enol form|3-Acetyl-6-methyl-2H-pyrane-2,4(3H)-dione|3-acetyl-6-methyl-2H-pyranne-2,4(3H)-dione|3-Acetyl-6-methyldihydropyrandione-2,4|3-Acetyl-6-methylpyran-2,4(3H)-dione|4-17-00-06699|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, delta-lactone|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, d-lactone|Acetic acid, dehydro-|Biocide 470F|BRN 0006129|Caswell No. 278|Dehydracetic acid|DEHYDRACETSAEURE|DHA (VAN)|DHAA|DHS|EINECS 208-293-9|EPA Pesticide Chemical Code 027801|Geogard 111A|Kyselina dehydroacetova|Methylacetopyronone|NSC 139150|NSC 8770|UNII-2KAG27|53488-80-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020014
ERPathway2016 ERPathway2016_1508 Dehydroacetic acid 520-45-6 DTXSID6020014 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C1C(=O)OC(C)=CC1=O Dehydroacetic acid 520-45-6|Dehydroacetic acid|2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid, delta-lactone|2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-methyl-|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-|3-acetil-6-metil-2H-pirano-2,4(3H)-diona|3-Acety;-6-methylpyran-2,4(3H)-dione|3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one|3-Acetyl-6-methyl-1-oxacyclohex-5-ene-2,4-dione|3-Acetyl-6-methyl-2,4-pyrandione|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dion|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione. enol form|3-Acetyl-6-methyl-2H-pyrane-2,4(3H)-dione|3-acetyl-6-methyl-2H-pyranne-2,4(3H)-dione|3-Acetyl-6-methyldihydropyrandione-2,4|3-Acetyl-6-methylpyran-2,4(3H)-dione|4-17-00-06699|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, delta-lactone|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, d-lactone|Acetic acid, dehydro-|Biocide 470F|BRN 0006129|Caswell No. 278|Dehydracetic acid|DEHYDRACETSAEURE|DHA (VAN)|DHAA|DHS|EINECS 208-293-9|EPA Pesticide Chemical Code 027801|Geogard 111A|Kyselina dehydroacetova|Methylacetopyronone|NSC 139150|NSC 8770|UNII-2KAG27|53488-80-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020014
ERPathway2016 ERPathway2016_1508 Dehydroacetic acid 520-45-6 DTXSID6020014 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)C1C(=O)OC(C)=CC1=O Dehydroacetic acid 520-45-6|Dehydroacetic acid|2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid, delta-lactone|2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-methyl-|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-|3-acetil-6-metil-2H-pirano-2,4(3H)-diona|3-Acety;-6-methylpyran-2,4(3H)-dione|3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one|3-Acetyl-6-methyl-1-oxacyclohex-5-ene-2,4-dione|3-Acetyl-6-methyl-2,4-pyrandione|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dion|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione. enol form|3-Acetyl-6-methyl-2H-pyrane-2,4(3H)-dione|3-acetyl-6-methyl-2H-pyranne-2,4(3H)-dione|3-Acetyl-6-methyldihydropyrandione-2,4|3-Acetyl-6-methylpyran-2,4(3H)-dione|4-17-00-06699|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, delta-lactone|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, d-lactone|Acetic acid, dehydro-|Biocide 470F|BRN 0006129|Caswell No. 278|Dehydracetic acid|DEHYDRACETSAEURE|DHA (VAN)|DHAA|DHS|EINECS 208-293-9|EPA Pesticide Chemical Code 027801|Geogard 111A|Kyselina dehydroacetova|Methylacetopyronone|NSC 139150|NSC 8770|UNII-2KAG27|53488-80-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020014
ERPathway2016 ERPathway2016_1508 Dehydroacetic acid 520-45-6 DTXSID6020014 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)C1C(=O)OC(C)=CC1=O Dehydroacetic acid 520-45-6|Dehydroacetic acid|2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid, delta-lactone|2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-methyl-|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-|3-acetil-6-metil-2H-pirano-2,4(3H)-diona|3-Acety;-6-methylpyran-2,4(3H)-dione|3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one|3-Acetyl-6-methyl-1-oxacyclohex-5-ene-2,4-dione|3-Acetyl-6-methyl-2,4-pyrandione|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dion|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione. enol form|3-Acetyl-6-methyl-2H-pyrane-2,4(3H)-dione|3-acetyl-6-methyl-2H-pyranne-2,4(3H)-dione|3-Acetyl-6-methyldihydropyrandione-2,4|3-Acetyl-6-methylpyran-2,4(3H)-dione|4-17-00-06699|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, delta-lactone|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, d-lactone|Acetic acid, dehydro-|Biocide 470F|BRN 0006129|Caswell No. 278|Dehydracetic acid|DEHYDRACETSAEURE|DHA (VAN)|DHAA|DHS|EINECS 208-293-9|EPA Pesticide Chemical Code 027801|Geogard 111A|Kyselina dehydroacetova|Methylacetopyronone|NSC 139150|NSC 8770|UNII-2KAG27|53488-80-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020014
ARPathway2016 ARPathway2016_205 Dehydroepiandrosterone 53-43-0 DTXSID4020379 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 15.791608942219 uM [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Dehydroepiandrosterone 53-43-0|Dehydroepiandrosterone|(+)-Dehydroisoandrosterone|(2R,5S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-14-one|(3-beta)-3-Hydroxyandrost-5-en-17-one|(3beta,16alpha)-3,16-dihydroxy-androst-5-en-17-one|(3beta)-3-hydroxy-Androst-5-en-17-one|17-Chetovis|17-Hormoforin|3-beta-Hydroxy-5-androsten-17-one|3-beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3beta-hydroxy-5-androsten-17-one|3beta-hydroxy-Androst-5-en-17-one|3beta-Hydroxy-D5-androsten-17-one|3beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-5-androsten-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3b-Hydroxyandrost-5-ene-17-one|4-08-00-00994|5-Androsten-3-beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Androsten-3beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Dehydro-Epiandrosterone|5-Dehydroepiandrosterone|5,6-Dehydroisoandrosterone|5,6-Dehydroisoandrostorone|5,6-Didehydroisoandrosterone|Andrestenol|Androst-5-en-17-one, 3-hydroxy-, (3b)-|Androst-5-en-17-one, 3b-hydroxy-|Androst-5-ene-17-one-3b-ol|105597-37-3|108673-53-6|9013-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020379
ARPathway2016 ARPathway2016_205 Dehydroepiandrosterone 53-43-0 DTXSID4020379 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 14.5084123621742 uM [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Dehydroepiandrosterone 53-43-0|Dehydroepiandrosterone|(+)-Dehydroisoandrosterone|(2R,5S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-14-one|(3-beta)-3-Hydroxyandrost-5-en-17-one|(3beta,16alpha)-3,16-dihydroxy-androst-5-en-17-one|(3beta)-3-hydroxy-Androst-5-en-17-one|17-Chetovis|17-Hormoforin|3-beta-Hydroxy-5-androsten-17-one|3-beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3beta-hydroxy-5-androsten-17-one|3beta-hydroxy-Androst-5-en-17-one|3beta-Hydroxy-D5-androsten-17-one|3beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-5-androsten-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3b-Hydroxyandrost-5-ene-17-one|4-08-00-00994|5-Androsten-3-beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Androsten-3beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Dehydro-Epiandrosterone|5-Dehydroepiandrosterone|5,6-Dehydroisoandrosterone|5,6-Dehydroisoandrostorone|5,6-Didehydroisoandrosterone|Andrestenol|Androst-5-en-17-one, 3-hydroxy-, (3b)-|Androst-5-en-17-one, 3b-hydroxy-|Androst-5-ene-17-one-3b-ol|105597-37-3|108673-53-6|9013-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020379
ARPathway2016 ARPathway2016_205 Dehydroepiandrosterone 53-43-0 DTXSID4020379 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.443 Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Dehydroepiandrosterone 53-43-0|Dehydroepiandrosterone|(+)-Dehydroisoandrosterone|(2R,5S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-14-one|(3-beta)-3-Hydroxyandrost-5-en-17-one|(3beta,16alpha)-3,16-dihydroxy-androst-5-en-17-one|(3beta)-3-hydroxy-Androst-5-en-17-one|17-Chetovis|17-Hormoforin|3-beta-Hydroxy-5-androsten-17-one|3-beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3beta-hydroxy-5-androsten-17-one|3beta-hydroxy-Androst-5-en-17-one|3beta-Hydroxy-D5-androsten-17-one|3beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-5-androsten-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3b-Hydroxyandrost-5-ene-17-one|4-08-00-00994|5-Androsten-3-beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Androsten-3beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Dehydro-Epiandrosterone|5-Dehydroepiandrosterone|5,6-Dehydroisoandrosterone|5,6-Dehydroisoandrostorone|5,6-Didehydroisoandrosterone|Andrestenol|Androst-5-en-17-one, 3-hydroxy-, (3b)-|Androst-5-en-17-one, 3b-hydroxy-|Androst-5-ene-17-one-3b-ol|105597-37-3|108673-53-6|9013-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020379
ARPathway2016 ARPathway2016_205 Dehydroepiandrosterone 53-43-0 DTXSID4020379 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Dehydroepiandrosterone 53-43-0|Dehydroepiandrosterone|(+)-Dehydroisoandrosterone|(2R,5S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-14-one|(3-beta)-3-Hydroxyandrost-5-en-17-one|(3beta,16alpha)-3,16-dihydroxy-androst-5-en-17-one|(3beta)-3-hydroxy-Androst-5-en-17-one|17-Chetovis|17-Hormoforin|3-beta-Hydroxy-5-androsten-17-one|3-beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3beta-hydroxy-5-androsten-17-one|3beta-hydroxy-Androst-5-en-17-one|3beta-Hydroxy-D5-androsten-17-one|3beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-5-androsten-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3b-Hydroxyandrost-5-ene-17-one|4-08-00-00994|5-Androsten-3-beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Androsten-3beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Dehydro-Epiandrosterone|5-Dehydroepiandrosterone|5,6-Dehydroisoandrosterone|5,6-Dehydroisoandrostorone|5,6-Didehydroisoandrosterone|Andrestenol|Androst-5-en-17-one, 3-hydroxy-, (3b)-|Androst-5-en-17-one, 3b-hydroxy-|Androst-5-ene-17-one-3b-ol|105597-37-3|108673-53-6|9013-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020379
ARPathway2016 ARPathway2016_205 Dehydroepiandrosterone 53-43-0 DTXSID4020379 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Dehydroepiandrosterone 53-43-0|Dehydroepiandrosterone|(+)-Dehydroisoandrosterone|(2R,5S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-14-one|(3-beta)-3-Hydroxyandrost-5-en-17-one|(3beta,16alpha)-3,16-dihydroxy-androst-5-en-17-one|(3beta)-3-hydroxy-Androst-5-en-17-one|17-Chetovis|17-Hormoforin|3-beta-Hydroxy-5-androsten-17-one|3-beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3beta-hydroxy-5-androsten-17-one|3beta-hydroxy-Androst-5-en-17-one|3beta-Hydroxy-D5-androsten-17-one|3beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-5-androsten-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3b-Hydroxyandrost-5-ene-17-one|4-08-00-00994|5-Androsten-3-beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Androsten-3beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Dehydro-Epiandrosterone|5-Dehydroepiandrosterone|5,6-Dehydroisoandrosterone|5,6-Dehydroisoandrostorone|5,6-Didehydroisoandrosterone|Andrestenol|Androst-5-en-17-one, 3-hydroxy-, (3b)-|Androst-5-en-17-one, 3b-hydroxy-|Androst-5-ene-17-one-3b-ol|105597-37-3|108673-53-6|9013-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020379
ARPathway2016 ARPathway2016_205 Dehydroepiandrosterone 53-43-0 DTXSID4020379 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Dehydroepiandrosterone 53-43-0|Dehydroepiandrosterone|(+)-Dehydroisoandrosterone|(2R,5S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-14-one|(3-beta)-3-Hydroxyandrost-5-en-17-one|(3beta,16alpha)-3,16-dihydroxy-androst-5-en-17-one|(3beta)-3-hydroxy-Androst-5-en-17-one|17-Chetovis|17-Hormoforin|3-beta-Hydroxy-5-androsten-17-one|3-beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3beta-hydroxy-5-androsten-17-one|3beta-hydroxy-Androst-5-en-17-one|3beta-Hydroxy-D5-androsten-17-one|3beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-5-androsten-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3b-Hydroxyandrost-5-ene-17-one|4-08-00-00994|5-Androsten-3-beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Androsten-3beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Dehydro-Epiandrosterone|5-Dehydroepiandrosterone|5,6-Dehydroisoandrosterone|5,6-Dehydroisoandrostorone|5,6-Didehydroisoandrosterone|Andrestenol|Androst-5-en-17-one, 3-hydroxy-, (3b)-|Androst-5-en-17-one, 3b-hydroxy-|Androst-5-ene-17-one-3b-ol|105597-37-3|108673-53-6|9013-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020379
ERPathway2016 ERPathway2016_176 Dehydroepiandrosterone 53-43-0 DTXSID4020379 Agonist ER Pathway Model, Antagonist AC50 2.35211202055101 uM [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Dehydroepiandrosterone 53-43-0|Dehydroepiandrosterone|(+)-Dehydroisoandrosterone|(2R,5S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-14-one|(3-beta)-3-Hydroxyandrost-5-en-17-one|(3beta,16alpha)-3,16-dihydroxy-androst-5-en-17-one|(3beta)-3-hydroxy-Androst-5-en-17-one|17-Chetovis|17-Hormoforin|3-beta-Hydroxy-5-androsten-17-one|3-beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3beta-hydroxy-5-androsten-17-one|3beta-hydroxy-Androst-5-en-17-one|3beta-Hydroxy-D5-androsten-17-one|3beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-5-androsten-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3b-Hydroxyandrost-5-ene-17-one|4-08-00-00994|5-Androsten-3-beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Androsten-3beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Dehydro-Epiandrosterone|5-Dehydroepiandrosterone|5,6-Dehydroisoandrosterone|5,6-Dehydroisoandrostorone|5,6-Didehydroisoandrosterone|Andrestenol|Androst-5-en-17-one, 3-hydroxy-, (3b)-|Androst-5-en-17-one, 3b-hydroxy-|Androst-5-ene-17-one-3b-ol|105597-37-3|108673-53-6|9013-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020379
ERPathway2016 ERPathway2016_176 Dehydroepiandrosterone 53-43-0 DTXSID4020379 Agonist ER Pathway Model, Antagonist ACC 1.3925774436921 uM [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Dehydroepiandrosterone 53-43-0|Dehydroepiandrosterone|(+)-Dehydroisoandrosterone|(2R,5S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-14-one|(3-beta)-3-Hydroxyandrost-5-en-17-one|(3beta,16alpha)-3,16-dihydroxy-androst-5-en-17-one|(3beta)-3-hydroxy-Androst-5-en-17-one|17-Chetovis|17-Hormoforin|3-beta-Hydroxy-5-androsten-17-one|3-beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3beta-hydroxy-5-androsten-17-one|3beta-hydroxy-Androst-5-en-17-one|3beta-Hydroxy-D5-androsten-17-one|3beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-5-androsten-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3b-Hydroxyandrost-5-ene-17-one|4-08-00-00994|5-Androsten-3-beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Androsten-3beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Dehydro-Epiandrosterone|5-Dehydroepiandrosterone|5,6-Dehydroisoandrosterone|5,6-Dehydroisoandrostorone|5,6-Didehydroisoandrosterone|Andrestenol|Androst-5-en-17-one, 3-hydroxy-, (3b)-|Androst-5-en-17-one, 3b-hydroxy-|Androst-5-ene-17-one-3b-ol|105597-37-3|108673-53-6|9013-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020379
ERPathway2016 ERPathway2016_176 Dehydroepiandrosterone 53-43-0 DTXSID4020379 Agonist ER Pathway Model, Agonist Model Score 0.365 Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Dehydroepiandrosterone 53-43-0|Dehydroepiandrosterone|(+)-Dehydroisoandrosterone|(2R,5S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-14-one|(3-beta)-3-Hydroxyandrost-5-en-17-one|(3beta,16alpha)-3,16-dihydroxy-androst-5-en-17-one|(3beta)-3-hydroxy-Androst-5-en-17-one|17-Chetovis|17-Hormoforin|3-beta-Hydroxy-5-androsten-17-one|3-beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3beta-hydroxy-5-androsten-17-one|3beta-hydroxy-Androst-5-en-17-one|3beta-Hydroxy-D5-androsten-17-one|3beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-5-androsten-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3b-Hydroxyandrost-5-ene-17-one|4-08-00-00994|5-Androsten-3-beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Androsten-3beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Dehydro-Epiandrosterone|5-Dehydroepiandrosterone|5,6-Dehydroisoandrosterone|5,6-Dehydroisoandrostorone|5,6-Didehydroisoandrosterone|Andrestenol|Androst-5-en-17-one, 3-hydroxy-, (3b)-|Androst-5-en-17-one, 3b-hydroxy-|Androst-5-ene-17-one-3b-ol|105597-37-3|108673-53-6|9013-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020379
ERPathway2016 ERPathway2016_176 Dehydroepiandrosterone 53-43-0 DTXSID4020379 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Dehydroepiandrosterone 53-43-0|Dehydroepiandrosterone|(+)-Dehydroisoandrosterone|(2R,5S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-14-one|(3-beta)-3-Hydroxyandrost-5-en-17-one|(3beta,16alpha)-3,16-dihydroxy-androst-5-en-17-one|(3beta)-3-hydroxy-Androst-5-en-17-one|17-Chetovis|17-Hormoforin|3-beta-Hydroxy-5-androsten-17-one|3-beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3beta-hydroxy-5-androsten-17-one|3beta-hydroxy-Androst-5-en-17-one|3beta-Hydroxy-D5-androsten-17-one|3beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-5-androsten-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3b-Hydroxyandrost-5-ene-17-one|4-08-00-00994|5-Androsten-3-beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Androsten-3beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Dehydro-Epiandrosterone|5-Dehydroepiandrosterone|5,6-Dehydroisoandrosterone|5,6-Dehydroisoandrostorone|5,6-Didehydroisoandrosterone|Andrestenol|Androst-5-en-17-one, 3-hydroxy-, (3b)-|Androst-5-en-17-one, 3b-hydroxy-|Androst-5-ene-17-one-3b-ol|105597-37-3|108673-53-6|9013-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020379
ERPathway2016 ERPathway2016_176 Dehydroepiandrosterone 53-43-0 DTXSID4020379 Agonist ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Dehydroepiandrosterone 53-43-0|Dehydroepiandrosterone|(+)-Dehydroisoandrosterone|(2R,5S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-14-one|(3-beta)-3-Hydroxyandrost-5-en-17-one|(3beta,16alpha)-3,16-dihydroxy-androst-5-en-17-one|(3beta)-3-hydroxy-Androst-5-en-17-one|17-Chetovis|17-Hormoforin|3-beta-Hydroxy-5-androsten-17-one|3-beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3beta-hydroxy-5-androsten-17-one|3beta-hydroxy-Androst-5-en-17-one|3beta-Hydroxy-D5-androsten-17-one|3beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-5-androsten-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3b-Hydroxyandrost-5-ene-17-one|4-08-00-00994|5-Androsten-3-beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Androsten-3beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Dehydro-Epiandrosterone|5-Dehydroepiandrosterone|5,6-Dehydroisoandrosterone|5,6-Dehydroisoandrostorone|5,6-Didehydroisoandrosterone|Andrestenol|Androst-5-en-17-one, 3-hydroxy-, (3b)-|Androst-5-en-17-one, 3b-hydroxy-|Androst-5-ene-17-one-3b-ol|105597-37-3|108673-53-6|9013-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020379
ERPathway2016 ERPathway2016_176 Dehydroepiandrosterone 53-43-0 DTXSID4020379 Agonist ER Pathway Model, Antagonist Call Active Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Dehydroepiandrosterone 53-43-0|Dehydroepiandrosterone|(+)-Dehydroisoandrosterone|(2R,5S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-7-en-14-one|(3-beta)-3-Hydroxyandrost-5-en-17-one|(3beta,16alpha)-3,16-dihydroxy-androst-5-en-17-one|(3beta)-3-hydroxy-Androst-5-en-17-one|17-Chetovis|17-Hormoforin|3-beta-Hydroxy-5-androsten-17-one|3-beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3beta-hydroxy-5-androsten-17-one|3beta-hydroxy-Androst-5-en-17-one|3beta-Hydroxy-D5-androsten-17-one|3beta-Hydroxyandrost-5-en-17-one|3b-Hydroxy-5-androsten-17-one|3b-Hydroxy-D5-androsten-17-one|3b-Hydroxyandrost-5-en-17-one|3b-Hydroxyandrost-5-ene-17-one|4-08-00-00994|5-Androsten-3-beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Androsten-3beta-ol-17-one|5-Androsten-3b-ol-17-one|5-Dehydro-Epiandrosterone|5-Dehydroepiandrosterone|5,6-Dehydroisoandrosterone|5,6-Dehydroisoandrostorone|5,6-Didehydroisoandrosterone|Andrestenol|Androst-5-en-17-one, 3-hydroxy-, (3b)-|Androst-5-en-17-one, 3b-hydroxy-|Androst-5-ene-17-one-3b-ol|105597-37-3|108673-53-6|9013-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020379
ARPathway2016 ARPathway2016_402 Deisopropylatrazine 1007-28-9 DTXSID0037495 1.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless CCNC1=NC(N)=NC(Cl)=N1 Deisopropylatrazine 1007-28-9|Deisopropylatrazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-|2-amino-4-chloro-6-(ethylamino)-s-triazine|2-Amino-4-chloro-6-ethylamino-s-atrazine|2-amino-4-chloro-6-ethylamino-s-triazine|2-Chloro-4-amino-6-(ethylamino)-s-triazine|2-Chloro-4-ethylamino-6-amino-1,3,5-triazine|2-Chloro-4-ethylamino-6-amino-s-triazine|4-Amino-2-chloro-6-(ethylamino)-s-triazine|4-Amino-2-chloro-6-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-s-triazine|6-Chloro-N2-ethyl-1,3,5-triazine-2,4-diamine|6-deisopropylatrazine|6-Desisopropylatrazine|amino-2-chloro-6-ethylamino-s-triazine|Atrazine Deisopropyl|Atrazine-desisopropyl|Caswell No. 033F|Deethylsimazine|Des-isopropyl atrazine|Desethylsimazine|Desisopropylatrazine|DIA|F 703|F 703 (amine)|G 28279|G-28279|NSC 13909|s-Triazine, 2-amino-4-chloro-6-(ethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037495
ARPathway2016 ARPathway2016_402 Deisopropylatrazine 1007-28-9 DTXSID0037495 1.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless CCNC1=NC(N)=NC(Cl)=N1 Deisopropylatrazine 1007-28-9|Deisopropylatrazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-|2-amino-4-chloro-6-(ethylamino)-s-triazine|2-Amino-4-chloro-6-ethylamino-s-atrazine|2-amino-4-chloro-6-ethylamino-s-triazine|2-Chloro-4-amino-6-(ethylamino)-s-triazine|2-Chloro-4-ethylamino-6-amino-1,3,5-triazine|2-Chloro-4-ethylamino-6-amino-s-triazine|4-Amino-2-chloro-6-(ethylamino)-s-triazine|4-Amino-2-chloro-6-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-s-triazine|6-Chloro-N2-ethyl-1,3,5-triazine-2,4-diamine|6-deisopropylatrazine|6-Desisopropylatrazine|amino-2-chloro-6-ethylamino-s-triazine|Atrazine Deisopropyl|Atrazine-desisopropyl|Caswell No. 033F|Deethylsimazine|Des-isopropyl atrazine|Desethylsimazine|Desisopropylatrazine|DIA|F 703|F 703 (amine)|G 28279|G-28279|NSC 13909|s-Triazine, 2-amino-4-chloro-6-(ethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037495
ARPathway2016 ARPathway2016_402 Deisopropylatrazine 1007-28-9 DTXSID0037495 1.0 A3 AR Pathway Model, Agonist Call Inactive Unitless CCNC1=NC(N)=NC(Cl)=N1 Deisopropylatrazine 1007-28-9|Deisopropylatrazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-|2-amino-4-chloro-6-(ethylamino)-s-triazine|2-Amino-4-chloro-6-ethylamino-s-atrazine|2-amino-4-chloro-6-ethylamino-s-triazine|2-Chloro-4-amino-6-(ethylamino)-s-triazine|2-Chloro-4-ethylamino-6-amino-1,3,5-triazine|2-Chloro-4-ethylamino-6-amino-s-triazine|4-Amino-2-chloro-6-(ethylamino)-s-triazine|4-Amino-2-chloro-6-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-s-triazine|6-Chloro-N2-ethyl-1,3,5-triazine-2,4-diamine|6-deisopropylatrazine|6-Desisopropylatrazine|amino-2-chloro-6-ethylamino-s-triazine|Atrazine Deisopropyl|Atrazine-desisopropyl|Caswell No. 033F|Deethylsimazine|Des-isopropyl atrazine|Desethylsimazine|Desisopropylatrazine|DIA|F 703|F 703 (amine)|G 28279|G-28279|NSC 13909|s-Triazine, 2-amino-4-chloro-6-(ethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037495
ARPathway2016 ARPathway2016_402 Deisopropylatrazine 1007-28-9 DTXSID0037495 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless CCNC1=NC(N)=NC(Cl)=N1 Deisopropylatrazine 1007-28-9|Deisopropylatrazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-|2-amino-4-chloro-6-(ethylamino)-s-triazine|2-Amino-4-chloro-6-ethylamino-s-atrazine|2-amino-4-chloro-6-ethylamino-s-triazine|2-Chloro-4-amino-6-(ethylamino)-s-triazine|2-Chloro-4-ethylamino-6-amino-1,3,5-triazine|2-Chloro-4-ethylamino-6-amino-s-triazine|4-Amino-2-chloro-6-(ethylamino)-s-triazine|4-Amino-2-chloro-6-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-s-triazine|6-Chloro-N2-ethyl-1,3,5-triazine-2,4-diamine|6-deisopropylatrazine|6-Desisopropylatrazine|amino-2-chloro-6-ethylamino-s-triazine|Atrazine Deisopropyl|Atrazine-desisopropyl|Caswell No. 033F|Deethylsimazine|Des-isopropyl atrazine|Desethylsimazine|Desisopropylatrazine|DIA|F 703|F 703 (amine)|G 28279|G-28279|NSC 13909|s-Triazine, 2-amino-4-chloro-6-(ethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037495
ERPathway2016 ERPathway2016_455 Deisopropylatrazine 1007-28-9 DTXSID0037495 A1 ER Pathway Model, Antagonist AC50 0.0100108598859516 uM CCNC1=NC(N)=NC(Cl)=N1 Deisopropylatrazine 1007-28-9|Deisopropylatrazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-|2-amino-4-chloro-6-(ethylamino)-s-triazine|2-Amino-4-chloro-6-ethylamino-s-atrazine|2-amino-4-chloro-6-ethylamino-s-triazine|2-Chloro-4-amino-6-(ethylamino)-s-triazine|2-Chloro-4-ethylamino-6-amino-1,3,5-triazine|2-Chloro-4-ethylamino-6-amino-s-triazine|4-Amino-2-chloro-6-(ethylamino)-s-triazine|4-Amino-2-chloro-6-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-s-triazine|6-Chloro-N2-ethyl-1,3,5-triazine-2,4-diamine|6-deisopropylatrazine|6-Desisopropylatrazine|amino-2-chloro-6-ethylamino-s-triazine|Atrazine Deisopropyl|Atrazine-desisopropyl|Caswell No. 033F|Deethylsimazine|Des-isopropyl atrazine|Desethylsimazine|Desisopropylatrazine|DIA|F 703|F 703 (amine)|G 28279|G-28279|NSC 13909|s-Triazine, 2-amino-4-chloro-6-(ethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037495
ERPathway2016 ERPathway2016_455 Deisopropylatrazine 1007-28-9 DTXSID0037495 A1 ER Pathway Model, Antagonist ACC 0.00919154072479593 uM CCNC1=NC(N)=NC(Cl)=N1 Deisopropylatrazine 1007-28-9|Deisopropylatrazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-|2-amino-4-chloro-6-(ethylamino)-s-triazine|2-Amino-4-chloro-6-ethylamino-s-atrazine|2-amino-4-chloro-6-ethylamino-s-triazine|2-Chloro-4-amino-6-(ethylamino)-s-triazine|2-Chloro-4-ethylamino-6-amino-1,3,5-triazine|2-Chloro-4-ethylamino-6-amino-s-triazine|4-Amino-2-chloro-6-(ethylamino)-s-triazine|4-Amino-2-chloro-6-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-s-triazine|6-Chloro-N2-ethyl-1,3,5-triazine-2,4-diamine|6-deisopropylatrazine|6-Desisopropylatrazine|amino-2-chloro-6-ethylamino-s-triazine|Atrazine Deisopropyl|Atrazine-desisopropyl|Caswell No. 033F|Deethylsimazine|Des-isopropyl atrazine|Desethylsimazine|Desisopropylatrazine|DIA|F 703|F 703 (amine)|G 28279|G-28279|NSC 13909|s-Triazine, 2-amino-4-chloro-6-(ethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037495
ERPathway2016 ERPathway2016_455 Deisopropylatrazine 1007-28-9 DTXSID0037495 A1 ER Pathway Model, Agonist Model Score 0.00394 Unitless CCNC1=NC(N)=NC(Cl)=N1 Deisopropylatrazine 1007-28-9|Deisopropylatrazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-|2-amino-4-chloro-6-(ethylamino)-s-triazine|2-Amino-4-chloro-6-ethylamino-s-atrazine|2-amino-4-chloro-6-ethylamino-s-triazine|2-Chloro-4-amino-6-(ethylamino)-s-triazine|2-Chloro-4-ethylamino-6-amino-1,3,5-triazine|2-Chloro-4-ethylamino-6-amino-s-triazine|4-Amino-2-chloro-6-(ethylamino)-s-triazine|4-Amino-2-chloro-6-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-s-triazine|6-Chloro-N2-ethyl-1,3,5-triazine-2,4-diamine|6-deisopropylatrazine|6-Desisopropylatrazine|amino-2-chloro-6-ethylamino-s-triazine|Atrazine Deisopropyl|Atrazine-desisopropyl|Caswell No. 033F|Deethylsimazine|Des-isopropyl atrazine|Desethylsimazine|Desisopropylatrazine|DIA|F 703|F 703 (amine)|G 28279|G-28279|NSC 13909|s-Triazine, 2-amino-4-chloro-6-(ethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037495
ERPathway2016 ERPathway2016_455 Deisopropylatrazine 1007-28-9 DTXSID0037495 A1 ER Pathway Model, Antagonist Model Score 0 Unitless CCNC1=NC(N)=NC(Cl)=N1 Deisopropylatrazine 1007-28-9|Deisopropylatrazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-|2-amino-4-chloro-6-(ethylamino)-s-triazine|2-Amino-4-chloro-6-ethylamino-s-atrazine|2-amino-4-chloro-6-ethylamino-s-triazine|2-Chloro-4-amino-6-(ethylamino)-s-triazine|2-Chloro-4-ethylamino-6-amino-1,3,5-triazine|2-Chloro-4-ethylamino-6-amino-s-triazine|4-Amino-2-chloro-6-(ethylamino)-s-triazine|4-Amino-2-chloro-6-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-s-triazine|6-Chloro-N2-ethyl-1,3,5-triazine-2,4-diamine|6-deisopropylatrazine|6-Desisopropylatrazine|amino-2-chloro-6-ethylamino-s-triazine|Atrazine Deisopropyl|Atrazine-desisopropyl|Caswell No. 033F|Deethylsimazine|Des-isopropyl atrazine|Desethylsimazine|Desisopropylatrazine|DIA|F 703|F 703 (amine)|G 28279|G-28279|NSC 13909|s-Triazine, 2-amino-4-chloro-6-(ethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037495
ERPathway2016 ERPathway2016_455 Deisopropylatrazine 1007-28-9 DTXSID0037495 A1 ER Pathway Model, Agonist Call Inactive Unitless CCNC1=NC(N)=NC(Cl)=N1 Deisopropylatrazine 1007-28-9|Deisopropylatrazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-|2-amino-4-chloro-6-(ethylamino)-s-triazine|2-Amino-4-chloro-6-ethylamino-s-atrazine|2-amino-4-chloro-6-ethylamino-s-triazine|2-Chloro-4-amino-6-(ethylamino)-s-triazine|2-Chloro-4-ethylamino-6-amino-1,3,5-triazine|2-Chloro-4-ethylamino-6-amino-s-triazine|4-Amino-2-chloro-6-(ethylamino)-s-triazine|4-Amino-2-chloro-6-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-s-triazine|6-Chloro-N2-ethyl-1,3,5-triazine-2,4-diamine|6-deisopropylatrazine|6-Desisopropylatrazine|amino-2-chloro-6-ethylamino-s-triazine|Atrazine Deisopropyl|Atrazine-desisopropyl|Caswell No. 033F|Deethylsimazine|Des-isopropyl atrazine|Desethylsimazine|Desisopropylatrazine|DIA|F 703|F 703 (amine)|G 28279|G-28279|NSC 13909|s-Triazine, 2-amino-4-chloro-6-(ethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037495
ERPathway2016 ERPathway2016_455 Deisopropylatrazine 1007-28-9 DTXSID0037495 A1 ER Pathway Model, Antagonist Call Active Unitless CCNC1=NC(N)=NC(Cl)=N1 Deisopropylatrazine 1007-28-9|Deisopropylatrazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-|2-amino-4-chloro-6-(ethylamino)-s-triazine|2-Amino-4-chloro-6-ethylamino-s-atrazine|2-amino-4-chloro-6-ethylamino-s-triazine|2-Chloro-4-amino-6-(ethylamino)-s-triazine|2-Chloro-4-ethylamino-6-amino-1,3,5-triazine|2-Chloro-4-ethylamino-6-amino-s-triazine|4-Amino-2-chloro-6-(ethylamino)-s-triazine|4-Amino-2-chloro-6-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-1,3,5-triazine|6-Amino-2-chloro-4-ethylamino-s-triazine|6-Chloro-N2-ethyl-1,3,5-triazine-2,4-diamine|6-deisopropylatrazine|6-Desisopropylatrazine|amino-2-chloro-6-ethylamino-s-triazine|Atrazine Deisopropyl|Atrazine-desisopropyl|Caswell No. 033F|Deethylsimazine|Des-isopropyl atrazine|Desethylsimazine|Desisopropylatrazine|DIA|F 703|F 703 (amine)|G 28279|G-28279|NSC 13909|s-Triazine, 2-amino-4-chloro-6-(ethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0037495
ARPathway2016 ARPathway2016_1284 Deltamethrin 52918-63-5 DTXSID8020381 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 Deltamethrin 52918-63-5|Deltamethrin|(1R-(1alpha(S*),3alpha))-Cyano(3-phenoxyphenyl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate|(S)-alpha-Cyano-3-phenoxybenzyl (1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropan-1-carboxylate|(S)-alpha-Cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate|(S)-alpha-Cyano-3-phenoxybenzyl-(1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropane carboxyate|(S)-a-Cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate|[1R-[1a(S*),3a]]-3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester|[1R-[1a(S*),3a]]-3-(2,2-dibromovinil)-2,2-dimetilciclopropanocarboxilato de a-ciano-3-fenoxibencilo|[1R-[1a(S*),3a]]-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyle|3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano(3-phenoxy-phenyl)-, methyl ester|Battalion|cis-deltamethrin|Crackdown|Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,|55700-96-4|62229-77-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020381
ARPathway2016 ARPathway2016_1284 Deltamethrin 52918-63-5 DTXSID8020381 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 Deltamethrin 52918-63-5|Deltamethrin|(1R-(1alpha(S*),3alpha))-Cyano(3-phenoxyphenyl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate|(S)-alpha-Cyano-3-phenoxybenzyl (1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropan-1-carboxylate|(S)-alpha-Cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate|(S)-alpha-Cyano-3-phenoxybenzyl-(1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropane carboxyate|(S)-a-Cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate|[1R-[1a(S*),3a]]-3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester|[1R-[1a(S*),3a]]-3-(2,2-dibromovinil)-2,2-dimetilciclopropanocarboxilato de a-ciano-3-fenoxibencilo|[1R-[1a(S*),3a]]-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyle|3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano(3-phenoxy-phenyl)-, methyl ester|Battalion|cis-deltamethrin|Crackdown|Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,|55700-96-4|62229-77-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020381
ARPathway2016 ARPathway2016_1284 Deltamethrin 52918-63-5 DTXSID8020381 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 Deltamethrin 52918-63-5|Deltamethrin|(1R-(1alpha(S*),3alpha))-Cyano(3-phenoxyphenyl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate|(S)-alpha-Cyano-3-phenoxybenzyl (1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropan-1-carboxylate|(S)-alpha-Cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate|(S)-alpha-Cyano-3-phenoxybenzyl-(1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropane carboxyate|(S)-a-Cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate|[1R-[1a(S*),3a]]-3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester|[1R-[1a(S*),3a]]-3-(2,2-dibromovinil)-2,2-dimetilciclopropanocarboxilato de a-ciano-3-fenoxibencilo|[1R-[1a(S*),3a]]-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyle|3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano(3-phenoxy-phenyl)-, methyl ester|Battalion|cis-deltamethrin|Crackdown|Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,|55700-96-4|62229-77-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020381
ARPathway2016 ARPathway2016_1284 Deltamethrin 52918-63-5 DTXSID8020381 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 Deltamethrin 52918-63-5|Deltamethrin|(1R-(1alpha(S*),3alpha))-Cyano(3-phenoxyphenyl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate|(S)-alpha-Cyano-3-phenoxybenzyl (1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropan-1-carboxylate|(S)-alpha-Cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate|(S)-alpha-Cyano-3-phenoxybenzyl-(1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropane carboxyate|(S)-a-Cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate|[1R-[1a(S*),3a]]-3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester|[1R-[1a(S*),3a]]-3-(2,2-dibromovinil)-2,2-dimetilciclopropanocarboxilato de a-ciano-3-fenoxibencilo|[1R-[1a(S*),3a]]-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyle|3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano(3-phenoxy-phenyl)-, methyl ester|Battalion|cis-deltamethrin|Crackdown|Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,|55700-96-4|62229-77-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020381
ERPathway2016 ERPathway2016_1513 Deltamethrin 52918-63-5 DTXSID8020381 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 Deltamethrin 52918-63-5|Deltamethrin|(1R-(1alpha(S*),3alpha))-Cyano(3-phenoxyphenyl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate|(S)-alpha-Cyano-3-phenoxybenzyl (1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropan-1-carboxylate|(S)-alpha-Cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate|(S)-alpha-Cyano-3-phenoxybenzyl-(1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropane carboxyate|(S)-a-Cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate|[1R-[1a(S*),3a]]-3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester|[1R-[1a(S*),3a]]-3-(2,2-dibromovinil)-2,2-dimetilciclopropanocarboxilato de a-ciano-3-fenoxibencilo|[1R-[1a(S*),3a]]-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyle|3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano(3-phenoxy-phenyl)-, methyl ester|Battalion|cis-deltamethrin|Crackdown|Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,|55700-96-4|62229-77-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020381
ERPathway2016 ERPathway2016_1513 Deltamethrin 52918-63-5 DTXSID8020381 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 Deltamethrin 52918-63-5|Deltamethrin|(1R-(1alpha(S*),3alpha))-Cyano(3-phenoxyphenyl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate|(S)-alpha-Cyano-3-phenoxybenzyl (1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropan-1-carboxylate|(S)-alpha-Cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate|(S)-alpha-Cyano-3-phenoxybenzyl-(1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropane carboxyate|(S)-a-Cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate|[1R-[1a(S*),3a]]-3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester|[1R-[1a(S*),3a]]-3-(2,2-dibromovinil)-2,2-dimetilciclopropanocarboxilato de a-ciano-3-fenoxibencilo|[1R-[1a(S*),3a]]-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyle|3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano(3-phenoxy-phenyl)-, methyl ester|Battalion|cis-deltamethrin|Crackdown|Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,|55700-96-4|62229-77-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020381
ERPathway2016 ERPathway2016_1513 Deltamethrin 52918-63-5 DTXSID8020381 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 Deltamethrin 52918-63-5|Deltamethrin|(1R-(1alpha(S*),3alpha))-Cyano(3-phenoxyphenyl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate|(S)-alpha-Cyano-3-phenoxybenzyl (1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropan-1-carboxylate|(S)-alpha-Cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate|(S)-alpha-Cyano-3-phenoxybenzyl-(1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropane carboxyate|(S)-a-Cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate|[1R-[1a(S*),3a]]-3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester|[1R-[1a(S*),3a]]-3-(2,2-dibromovinil)-2,2-dimetilciclopropanocarboxilato de a-ciano-3-fenoxibencilo|[1R-[1a(S*),3a]]-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyle|3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano(3-phenoxy-phenyl)-, methyl ester|Battalion|cis-deltamethrin|Crackdown|Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,|55700-96-4|62229-77-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020381
ERPathway2016 ERPathway2016_1513 Deltamethrin 52918-63-5 DTXSID8020381 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 Deltamethrin 52918-63-5|Deltamethrin|(1R-(1alpha(S*),3alpha))-Cyano(3-phenoxyphenyl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate|(S)-alpha-Cyano-3-phenoxybenzyl (1R,3R)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropan-1-carboxylate|(S)-alpha-Cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate|(S)-alpha-Cyano-3-phenoxybenzyl-(1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropane carboxyate|(S)-a-Cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate|[1R-[1a(S*),3a]]-3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester|[1R-[1a(S*),3a]]-3-(2,2-dibromovinil)-2,2-dimetilciclopropanocarboxilato de a-ciano-3-fenoxibencilo|[1R-[1a(S*),3a]]-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyle|3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid, cyano(3-phenoxy-phenyl)-, methyl ester|Battalion|cis-deltamethrin|Crackdown|Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,|55700-96-4|62229-77-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020381
ARPathway2016 ARPathway2016_1175 Denatonium benzoate 3734-33-6 DTXSID8034376 1.0 A1 AR Pathway Model, Antagonist Model Score 0 Unitless [O-]C(=O)C1=CC=CC=C1.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1 Denatonium benzoate 3734-33-6|Denatonium benzoate|Ammonium, benzyldiethyl[(2,6-xylylcarbamoyl)methyl]-, benzoate|Anispray|Aversion|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate (1:1)|Benzoate de denatonium|BENZOATE, BENZENEMETHANAMINIUM,N-[2-[(2,6-DIMETHYLPHENYL)AMINO]-2-OXOETHYL]-N,N-DIETHYL-,|benzoato de denatonio|Benzyl diethyl ((2,6-xylylcarbamoyl)methyl) ammonium benzoate|BENZYL-DIAETHYL-((N-(2,6-XYLYL)-CARBAMOYL)-METHYL-AMMONIUM-BENZOAT|Benzyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium benzoate|BENZYLDIETHYL[(2,6-XYLYLCARBAMOYL)METHYL]AMMONIUM BENZOATE|Bitrex|Bitterant-b|Bitterant+Plus|Caswell No. 083BB|Denatonii benzoas|Denatoniumbenzoat|EINECS 223-095-2|EPA Pesticide Chemical Code 009106|Lidocaine benzyl benzoate|Lignocaine benzyl benzoate|N-[2-(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium benzoate|N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl(phenylmethyl)ammonium benzoate|NSC 15765 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034376
ARPathway2016 ARPathway2016_1175 Denatonium benzoate 3734-33-6 DTXSID8034376 1.0 A1 AR Pathway Model, Agonist Model Score 0 Unitless [O-]C(=O)C1=CC=CC=C1.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1 Denatonium benzoate 3734-33-6|Denatonium benzoate|Ammonium, benzyldiethyl[(2,6-xylylcarbamoyl)methyl]-, benzoate|Anispray|Aversion|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate (1:1)|Benzoate de denatonium|BENZOATE, BENZENEMETHANAMINIUM,N-[2-[(2,6-DIMETHYLPHENYL)AMINO]-2-OXOETHYL]-N,N-DIETHYL-,|benzoato de denatonio|Benzyl diethyl ((2,6-xylylcarbamoyl)methyl) ammonium benzoate|BENZYL-DIAETHYL-((N-(2,6-XYLYL)-CARBAMOYL)-METHYL-AMMONIUM-BENZOAT|Benzyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium benzoate|BENZYLDIETHYL[(2,6-XYLYLCARBAMOYL)METHYL]AMMONIUM BENZOATE|Bitrex|Bitterant-b|Bitterant+Plus|Caswell No. 083BB|Denatonii benzoas|Denatoniumbenzoat|EINECS 223-095-2|EPA Pesticide Chemical Code 009106|Lidocaine benzyl benzoate|Lignocaine benzyl benzoate|N-[2-(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium benzoate|N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl(phenylmethyl)ammonium benzoate|NSC 15765 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034376
ARPathway2016 ARPathway2016_1175 Denatonium benzoate 3734-33-6 DTXSID8034376 1.0 A1 AR Pathway Model, Agonist Call Inactive Unitless [O-]C(=O)C1=CC=CC=C1.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1 Denatonium benzoate 3734-33-6|Denatonium benzoate|Ammonium, benzyldiethyl[(2,6-xylylcarbamoyl)methyl]-, benzoate|Anispray|Aversion|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate (1:1)|Benzoate de denatonium|BENZOATE, BENZENEMETHANAMINIUM,N-[2-[(2,6-DIMETHYLPHENYL)AMINO]-2-OXOETHYL]-N,N-DIETHYL-,|benzoato de denatonio|Benzyl diethyl ((2,6-xylylcarbamoyl)methyl) ammonium benzoate|BENZYL-DIAETHYL-((N-(2,6-XYLYL)-CARBAMOYL)-METHYL-AMMONIUM-BENZOAT|Benzyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium benzoate|BENZYLDIETHYL[(2,6-XYLYLCARBAMOYL)METHYL]AMMONIUM BENZOATE|Bitrex|Bitterant-b|Bitterant+Plus|Caswell No. 083BB|Denatonii benzoas|Denatoniumbenzoat|EINECS 223-095-2|EPA Pesticide Chemical Code 009106|Lidocaine benzyl benzoate|Lignocaine benzyl benzoate|N-[2-(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium benzoate|N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl(phenylmethyl)ammonium benzoate|NSC 15765 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034376
ARPathway2016 ARPathway2016_1175 Denatonium benzoate 3734-33-6 DTXSID8034376 1.0 A1 AR Pathway Model, Antagonist Call Inactive Unitless [O-]C(=O)C1=CC=CC=C1.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1 Denatonium benzoate 3734-33-6|Denatonium benzoate|Ammonium, benzyldiethyl[(2,6-xylylcarbamoyl)methyl]-, benzoate|Anispray|Aversion|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate (1:1)|Benzoate de denatonium|BENZOATE, BENZENEMETHANAMINIUM,N-[2-[(2,6-DIMETHYLPHENYL)AMINO]-2-OXOETHYL]-N,N-DIETHYL-,|benzoato de denatonio|Benzyl diethyl ((2,6-xylylcarbamoyl)methyl) ammonium benzoate|BENZYL-DIAETHYL-((N-(2,6-XYLYL)-CARBAMOYL)-METHYL-AMMONIUM-BENZOAT|Benzyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium benzoate|BENZYLDIETHYL[(2,6-XYLYLCARBAMOYL)METHYL]AMMONIUM BENZOATE|Bitrex|Bitterant-b|Bitterant+Plus|Caswell No. 083BB|Denatonii benzoas|Denatoniumbenzoat|EINECS 223-095-2|EPA Pesticide Chemical Code 009106|Lidocaine benzyl benzoate|Lignocaine benzyl benzoate|N-[2-(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium benzoate|N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl(phenylmethyl)ammonium benzoate|NSC 15765 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034376
ERPathway2016 ERPathway2016_1471 Denatonium benzoate 3734-33-6 DTXSID8034376 ER Pathway Model, Agonist Model Score 0 Unitless [O-]C(=O)C1=CC=CC=C1.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1 Denatonium benzoate 3734-33-6|Denatonium benzoate|Ammonium, benzyldiethyl[(2,6-xylylcarbamoyl)methyl]-, benzoate|Anispray|Aversion|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate (1:1)|Benzoate de denatonium|BENZOATE, BENZENEMETHANAMINIUM,N-[2-[(2,6-DIMETHYLPHENYL)AMINO]-2-OXOETHYL]-N,N-DIETHYL-,|benzoato de denatonio|Benzyl diethyl ((2,6-xylylcarbamoyl)methyl) ammonium benzoate|BENZYL-DIAETHYL-((N-(2,6-XYLYL)-CARBAMOYL)-METHYL-AMMONIUM-BENZOAT|Benzyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium benzoate|BENZYLDIETHYL[(2,6-XYLYLCARBAMOYL)METHYL]AMMONIUM BENZOATE|Bitrex|Bitterant-b|Bitterant+Plus|Caswell No. 083BB|Denatonii benzoas|Denatoniumbenzoat|EINECS 223-095-2|EPA Pesticide Chemical Code 009106|Lidocaine benzyl benzoate|Lignocaine benzyl benzoate|N-[2-(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium benzoate|N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl(phenylmethyl)ammonium benzoate|NSC 15765 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034376
ERPathway2016 ERPathway2016_1471 Denatonium benzoate 3734-33-6 DTXSID8034376 ER Pathway Model, Antagonist Model Score 0 Unitless [O-]C(=O)C1=CC=CC=C1.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1 Denatonium benzoate 3734-33-6|Denatonium benzoate|Ammonium, benzyldiethyl[(2,6-xylylcarbamoyl)methyl]-, benzoate|Anispray|Aversion|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate (1:1)|Benzoate de denatonium|BENZOATE, BENZENEMETHANAMINIUM,N-[2-[(2,6-DIMETHYLPHENYL)AMINO]-2-OXOETHYL]-N,N-DIETHYL-,|benzoato de denatonio|Benzyl diethyl ((2,6-xylylcarbamoyl)methyl) ammonium benzoate|BENZYL-DIAETHYL-((N-(2,6-XYLYL)-CARBAMOYL)-METHYL-AMMONIUM-BENZOAT|Benzyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium benzoate|BENZYLDIETHYL[(2,6-XYLYLCARBAMOYL)METHYL]AMMONIUM BENZOATE|Bitrex|Bitterant-b|Bitterant+Plus|Caswell No. 083BB|Denatonii benzoas|Denatoniumbenzoat|EINECS 223-095-2|EPA Pesticide Chemical Code 009106|Lidocaine benzyl benzoate|Lignocaine benzyl benzoate|N-[2-(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium benzoate|N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl(phenylmethyl)ammonium benzoate|NSC 15765 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034376
ERPathway2016 ERPathway2016_1471 Denatonium benzoate 3734-33-6 DTXSID8034376 ER Pathway Model, Agonist Call Inactive Unitless [O-]C(=O)C1=CC=CC=C1.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1 Denatonium benzoate 3734-33-6|Denatonium benzoate|Ammonium, benzyldiethyl[(2,6-xylylcarbamoyl)methyl]-, benzoate|Anispray|Aversion|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate (1:1)|Benzoate de denatonium|BENZOATE, BENZENEMETHANAMINIUM,N-[2-[(2,6-DIMETHYLPHENYL)AMINO]-2-OXOETHYL]-N,N-DIETHYL-,|benzoato de denatonio|Benzyl diethyl ((2,6-xylylcarbamoyl)methyl) ammonium benzoate|BENZYL-DIAETHYL-((N-(2,6-XYLYL)-CARBAMOYL)-METHYL-AMMONIUM-BENZOAT|Benzyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium benzoate|BENZYLDIETHYL[(2,6-XYLYLCARBAMOYL)METHYL]AMMONIUM BENZOATE|Bitrex|Bitterant-b|Bitterant+Plus|Caswell No. 083BB|Denatonii benzoas|Denatoniumbenzoat|EINECS 223-095-2|EPA Pesticide Chemical Code 009106|Lidocaine benzyl benzoate|Lignocaine benzyl benzoate|N-[2-(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium benzoate|N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl(phenylmethyl)ammonium benzoate|NSC 15765 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034376
ERPathway2016 ERPathway2016_1471 Denatonium benzoate 3734-33-6 DTXSID8034376 ER Pathway Model, Antagonist Call Inactive Unitless [O-]C(=O)C1=CC=CC=C1.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1 Denatonium benzoate 3734-33-6|Denatonium benzoate|Ammonium, benzyldiethyl[(2,6-xylylcarbamoyl)methyl]-, benzoate|Anispray|Aversion|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate (1:1)|Benzoate de denatonium|BENZOATE, BENZENEMETHANAMINIUM,N-[2-[(2,6-DIMETHYLPHENYL)AMINO]-2-OXOETHYL]-N,N-DIETHYL-,|benzoato de denatonio|Benzyl diethyl ((2,6-xylylcarbamoyl)methyl) ammonium benzoate|BENZYL-DIAETHYL-((N-(2,6-XYLYL)-CARBAMOYL)-METHYL-AMMONIUM-BENZOAT|Benzyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium benzoate|BENZYLDIETHYL[(2,6-XYLYLCARBAMOYL)METHYL]AMMONIUM BENZOATE|Bitrex|Bitterant-b|Bitterant+Plus|Caswell No. 083BB|Denatonii benzoas|Denatoniumbenzoat|EINECS 223-095-2|EPA Pesticide Chemical Code 009106|Lidocaine benzyl benzoate|Lignocaine benzyl benzoate|N-[2-(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium benzoate|N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl(phenylmethyl)ammonium benzoate|NSC 15765 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034376
ARPathway2016 ARPathway2016_1705 Denatonium saccharide 90823-38-4 DTXSID9034361 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C1[N-]S(=O)(=O)C2=C1C=CC=C2.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1 Denatonium saccharide 90823-38-4|Denatonium saccharide|1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, ion(1-),N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium|Amerex|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-,saccharide|Super Vilex|UNII-G2NT7SMW7M|103735-41-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034361
ARPathway2016 ARPathway2016_1705 Denatonium saccharide 90823-38-4 DTXSID9034361 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C1[N-]S(=O)(=O)C2=C1C=CC=C2.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1 Denatonium saccharide 90823-38-4|Denatonium saccharide|1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, ion(1-),N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium|Amerex|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-,saccharide|Super Vilex|UNII-G2NT7SMW7M|103735-41-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034361
ARPathway2016 ARPathway2016_1705 Denatonium saccharide 90823-38-4 DTXSID9034361 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C1[N-]S(=O)(=O)C2=C1C=CC=C2.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1 Denatonium saccharide 90823-38-4|Denatonium saccharide|1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, ion(1-),N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium|Amerex|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-,saccharide|Super Vilex|UNII-G2NT7SMW7M|103735-41-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034361
ARPathway2016 ARPathway2016_1705 Denatonium saccharide 90823-38-4 DTXSID9034361 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C1[N-]S(=O)(=O)C2=C1C=CC=C2.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1 Denatonium saccharide 90823-38-4|Denatonium saccharide|1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, ion(1-),N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium|Amerex|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-,saccharide|Super Vilex|UNII-G2NT7SMW7M|103735-41-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034361
ERPathway2016 ERPathway2016_716 Denatonium saccharide 90823-38-4 DTXSID9034361 ER Pathway Model, Agonist Model Score 0 Unitless O=C1[N-]S(=O)(=O)C2=C1C=CC=C2.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1 Denatonium saccharide 90823-38-4|Denatonium saccharide|1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, ion(1-),N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium|Amerex|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-,saccharide|Super Vilex|UNII-G2NT7SMW7M|103735-41-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034361
ERPathway2016 ERPathway2016_716 Denatonium saccharide 90823-38-4 DTXSID9034361 ER Pathway Model, Antagonist Model Score 0 Unitless O=C1[N-]S(=O)(=O)C2=C1C=CC=C2.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1 Denatonium saccharide 90823-38-4|Denatonium saccharide|1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, ion(1-),N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium|Amerex|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-,saccharide|Super Vilex|UNII-G2NT7SMW7M|103735-41-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034361
ERPathway2016 ERPathway2016_716 Denatonium saccharide 90823-38-4 DTXSID9034361 ER Pathway Model, Agonist Call Inactive Unitless O=C1[N-]S(=O)(=O)C2=C1C=CC=C2.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1 Denatonium saccharide 90823-38-4|Denatonium saccharide|1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, ion(1-),N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium|Amerex|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-,saccharide|Super Vilex|UNII-G2NT7SMW7M|103735-41-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034361
ERPathway2016 ERPathway2016_716 Denatonium saccharide 90823-38-4 DTXSID9034361 ER Pathway Model, Antagonist Call Inactive Unitless O=C1[N-]S(=O)(=O)C2=C1C=CC=C2.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1 Denatonium saccharide 90823-38-4|Denatonium saccharide|1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, ion(1-),N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium|Amerex|Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-,saccharide|Super Vilex|UNII-G2NT7SMW7M|103735-41-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034361
ARPathway2016 ARPathway2016_1406 Desethyl atrazine 6190-65-4 DTXSID5037494 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)NC1=NC(Cl)=NC(N)=N1 Desethyl atrazine 6190-65-4|Desethyl atrazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1-methylethyl)-|2-Amino-4-chloro-6- (isopropylamino)-s-triazine|2-Amino-4-chloro-6-isopropylamino-s-atrazine|2-chloro-4-amino-6-(isopropylamino)-s-triazine|2-Chloro-4-amino-6-isopropylamino-1,3,5-triazine|2-Chloro-4-amino-6-isopropylamino-s-triazine|2-Chloro-4-isopropylamino-6-amino-s-triazine|2-Isopropylamino-4-amino-6-chloro-1,3,5-triazine|4-deethylatrazine|6-Amino-2-chloro-4-isopropylamino-s-triazine|6-chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine|6-chloro-N-isopropyl-1,3,5-triazine-2,4-diamine|Atrazine de ethyl|Atrazine-desethyl|Atrazine, Desethyl|Deethylatratone|Deethylatrazine|Des-ethyl atrazine|Desethyl atrazine|G-30033|N-Deethylatrazine|s-Chloroaminoisopropylaminotriazine|s-Triazine, 2-amino-4-chloro-6-(isopropylamino)-|UNII-07PV14BK6X https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037494
ARPathway2016 ARPathway2016_1406 Desethyl atrazine 6190-65-4 DTXSID5037494 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)NC1=NC(Cl)=NC(N)=N1 Desethyl atrazine 6190-65-4|Desethyl atrazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1-methylethyl)-|2-Amino-4-chloro-6- (isopropylamino)-s-triazine|2-Amino-4-chloro-6-isopropylamino-s-atrazine|2-chloro-4-amino-6-(isopropylamino)-s-triazine|2-Chloro-4-amino-6-isopropylamino-1,3,5-triazine|2-Chloro-4-amino-6-isopropylamino-s-triazine|2-Chloro-4-isopropylamino-6-amino-s-triazine|2-Isopropylamino-4-amino-6-chloro-1,3,5-triazine|4-deethylatrazine|6-Amino-2-chloro-4-isopropylamino-s-triazine|6-chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine|6-chloro-N-isopropyl-1,3,5-triazine-2,4-diamine|Atrazine de ethyl|Atrazine-desethyl|Atrazine, Desethyl|Deethylatratone|Deethylatrazine|Des-ethyl atrazine|Desethyl atrazine|G-30033|N-Deethylatrazine|s-Chloroaminoisopropylaminotriazine|s-Triazine, 2-amino-4-chloro-6-(isopropylamino)-|UNII-07PV14BK6X https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037494
ARPathway2016 ARPathway2016_1406 Desethyl atrazine 6190-65-4 DTXSID5037494 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)NC1=NC(Cl)=NC(N)=N1 Desethyl atrazine 6190-65-4|Desethyl atrazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1-methylethyl)-|2-Amino-4-chloro-6- (isopropylamino)-s-triazine|2-Amino-4-chloro-6-isopropylamino-s-atrazine|2-chloro-4-amino-6-(isopropylamino)-s-triazine|2-Chloro-4-amino-6-isopropylamino-1,3,5-triazine|2-Chloro-4-amino-6-isopropylamino-s-triazine|2-Chloro-4-isopropylamino-6-amino-s-triazine|2-Isopropylamino-4-amino-6-chloro-1,3,5-triazine|4-deethylatrazine|6-Amino-2-chloro-4-isopropylamino-s-triazine|6-chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine|6-chloro-N-isopropyl-1,3,5-triazine-2,4-diamine|Atrazine de ethyl|Atrazine-desethyl|Atrazine, Desethyl|Deethylatratone|Deethylatrazine|Des-ethyl atrazine|Desethyl atrazine|G-30033|N-Deethylatrazine|s-Chloroaminoisopropylaminotriazine|s-Triazine, 2-amino-4-chloro-6-(isopropylamino)-|UNII-07PV14BK6X https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037494
ARPathway2016 ARPathway2016_1406 Desethyl atrazine 6190-65-4 DTXSID5037494 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)NC1=NC(Cl)=NC(N)=N1 Desethyl atrazine 6190-65-4|Desethyl atrazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1-methylethyl)-|2-Amino-4-chloro-6- (isopropylamino)-s-triazine|2-Amino-4-chloro-6-isopropylamino-s-atrazine|2-chloro-4-amino-6-(isopropylamino)-s-triazine|2-Chloro-4-amino-6-isopropylamino-1,3,5-triazine|2-Chloro-4-amino-6-isopropylamino-s-triazine|2-Chloro-4-isopropylamino-6-amino-s-triazine|2-Isopropylamino-4-amino-6-chloro-1,3,5-triazine|4-deethylatrazine|6-Amino-2-chloro-4-isopropylamino-s-triazine|6-chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine|6-chloro-N-isopropyl-1,3,5-triazine-2,4-diamine|Atrazine de ethyl|Atrazine-desethyl|Atrazine, Desethyl|Deethylatratone|Deethylatrazine|Des-ethyl atrazine|Desethyl atrazine|G-30033|N-Deethylatrazine|s-Chloroaminoisopropylaminotriazine|s-Triazine, 2-amino-4-chloro-6-(isopropylamino)-|UNII-07PV14BK6X https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037494
ERPathway2016 ERPathway2016_1576 Desethyl atrazine 6190-65-4 DTXSID5037494 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)NC1=NC(Cl)=NC(N)=N1 Desethyl atrazine 6190-65-4|Desethyl atrazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1-methylethyl)-|2-Amino-4-chloro-6- (isopropylamino)-s-triazine|2-Amino-4-chloro-6-isopropylamino-s-atrazine|2-chloro-4-amino-6-(isopropylamino)-s-triazine|2-Chloro-4-amino-6-isopropylamino-1,3,5-triazine|2-Chloro-4-amino-6-isopropylamino-s-triazine|2-Chloro-4-isopropylamino-6-amino-s-triazine|2-Isopropylamino-4-amino-6-chloro-1,3,5-triazine|4-deethylatrazine|6-Amino-2-chloro-4-isopropylamino-s-triazine|6-chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine|6-chloro-N-isopropyl-1,3,5-triazine-2,4-diamine|Atrazine de ethyl|Atrazine-desethyl|Atrazine, Desethyl|Deethylatratone|Deethylatrazine|Des-ethyl atrazine|Desethyl atrazine|G-30033|N-Deethylatrazine|s-Chloroaminoisopropylaminotriazine|s-Triazine, 2-amino-4-chloro-6-(isopropylamino)-|UNII-07PV14BK6X https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037494
ERPathway2016 ERPathway2016_1576 Desethyl atrazine 6190-65-4 DTXSID5037494 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)NC1=NC(Cl)=NC(N)=N1 Desethyl atrazine 6190-65-4|Desethyl atrazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1-methylethyl)-|2-Amino-4-chloro-6- (isopropylamino)-s-triazine|2-Amino-4-chloro-6-isopropylamino-s-atrazine|2-chloro-4-amino-6-(isopropylamino)-s-triazine|2-Chloro-4-amino-6-isopropylamino-1,3,5-triazine|2-Chloro-4-amino-6-isopropylamino-s-triazine|2-Chloro-4-isopropylamino-6-amino-s-triazine|2-Isopropylamino-4-amino-6-chloro-1,3,5-triazine|4-deethylatrazine|6-Amino-2-chloro-4-isopropylamino-s-triazine|6-chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine|6-chloro-N-isopropyl-1,3,5-triazine-2,4-diamine|Atrazine de ethyl|Atrazine-desethyl|Atrazine, Desethyl|Deethylatratone|Deethylatrazine|Des-ethyl atrazine|Desethyl atrazine|G-30033|N-Deethylatrazine|s-Chloroaminoisopropylaminotriazine|s-Triazine, 2-amino-4-chloro-6-(isopropylamino)-|UNII-07PV14BK6X https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037494
ERPathway2016 ERPathway2016_1576 Desethyl atrazine 6190-65-4 DTXSID5037494 ER Pathway Model, Agonist Call Inactive Unitless CC(C)NC1=NC(Cl)=NC(N)=N1 Desethyl atrazine 6190-65-4|Desethyl atrazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1-methylethyl)-|2-Amino-4-chloro-6- (isopropylamino)-s-triazine|2-Amino-4-chloro-6-isopropylamino-s-atrazine|2-chloro-4-amino-6-(isopropylamino)-s-triazine|2-Chloro-4-amino-6-isopropylamino-1,3,5-triazine|2-Chloro-4-amino-6-isopropylamino-s-triazine|2-Chloro-4-isopropylamino-6-amino-s-triazine|2-Isopropylamino-4-amino-6-chloro-1,3,5-triazine|4-deethylatrazine|6-Amino-2-chloro-4-isopropylamino-s-triazine|6-chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine|6-chloro-N-isopropyl-1,3,5-triazine-2,4-diamine|Atrazine de ethyl|Atrazine-desethyl|Atrazine, Desethyl|Deethylatratone|Deethylatrazine|Des-ethyl atrazine|Desethyl atrazine|G-30033|N-Deethylatrazine|s-Chloroaminoisopropylaminotriazine|s-Triazine, 2-amino-4-chloro-6-(isopropylamino)-|UNII-07PV14BK6X https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037494
ERPathway2016 ERPathway2016_1576 Desethyl atrazine 6190-65-4 DTXSID5037494 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)NC1=NC(Cl)=NC(N)=N1 Desethyl atrazine 6190-65-4|Desethyl atrazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N-(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1-methylethyl)-|2-Amino-4-chloro-6- (isopropylamino)-s-triazine|2-Amino-4-chloro-6-isopropylamino-s-atrazine|2-chloro-4-amino-6-(isopropylamino)-s-triazine|2-Chloro-4-amino-6-isopropylamino-1,3,5-triazine|2-Chloro-4-amino-6-isopropylamino-s-triazine|2-Chloro-4-isopropylamino-6-amino-s-triazine|2-Isopropylamino-4-amino-6-chloro-1,3,5-triazine|4-deethylatrazine|6-Amino-2-chloro-4-isopropylamino-s-triazine|6-chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine|6-chloro-N-isopropyl-1,3,5-triazine-2,4-diamine|Atrazine de ethyl|Atrazine-desethyl|Atrazine, Desethyl|Deethylatratone|Deethylatrazine|Des-ethyl atrazine|Desethyl atrazine|G-30033|N-Deethylatrazine|s-Chloroaminoisopropylaminotriazine|s-Triazine, 2-amino-4-chloro-6-(isopropylamino)-|UNII-07PV14BK6X https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037494
ARPathway2016 ARPathway2016_807 Desmedipham 13684-56-5 DTXSID0034518 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)NC1=CC(OC(=O)NC2=CC=CC=C2)=CC=C1 Desmedipham 13684-56-5|Desmedipham|3-((Ethoxycarbonyl)amino)phenyl phenylcarbamate|3-(Aethoxycarbonylaminophenyl)-N-phenyl-carbamat|3-[(ethoxycarbonyl)amino]phenyl phenylcarbamate|3-Ethoxycarbonylaminophenyl-N-phenylcarbamate|Betanal AM|Betanal AM 11|Betanex|BRN 2395716|Carbanilic acid, m-carbaniloyloxy-, ethyl ester|Caswell No. 447AAA|Desmediphame|EINECS 237-198-5|EPA Pesticide Chemical Code 104801|Ethyl|Ethyl 3-phenylcarbamoyloxyphenylcarbamate|Ethyl 3'-phenylcarbamoyloxycarbanilate|Ethyl phenylcarbamoyloxyphenylcarbamate|Schering 38107|Synbetan D|UNII-C7V2TTX346|125579-95-5|153703-69-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034518
ARPathway2016 ARPathway2016_807 Desmedipham 13684-56-5 DTXSID0034518 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)NC1=CC(OC(=O)NC2=CC=CC=C2)=CC=C1 Desmedipham 13684-56-5|Desmedipham|3-((Ethoxycarbonyl)amino)phenyl phenylcarbamate|3-(Aethoxycarbonylaminophenyl)-N-phenyl-carbamat|3-[(ethoxycarbonyl)amino]phenyl phenylcarbamate|3-Ethoxycarbonylaminophenyl-N-phenylcarbamate|Betanal AM|Betanal AM 11|Betanex|BRN 2395716|Carbanilic acid, m-carbaniloyloxy-, ethyl ester|Caswell No. 447AAA|Desmediphame|EINECS 237-198-5|EPA Pesticide Chemical Code 104801|Ethyl|Ethyl 3-phenylcarbamoyloxyphenylcarbamate|Ethyl 3'-phenylcarbamoyloxycarbanilate|Ethyl phenylcarbamoyloxyphenylcarbamate|Schering 38107|Synbetan D|UNII-C7V2TTX346|125579-95-5|153703-69-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034518
ARPathway2016 ARPathway2016_807 Desmedipham 13684-56-5 DTXSID0034518 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)NC1=CC(OC(=O)NC2=CC=CC=C2)=CC=C1 Desmedipham 13684-56-5|Desmedipham|3-((Ethoxycarbonyl)amino)phenyl phenylcarbamate|3-(Aethoxycarbonylaminophenyl)-N-phenyl-carbamat|3-[(ethoxycarbonyl)amino]phenyl phenylcarbamate|3-Ethoxycarbonylaminophenyl-N-phenylcarbamate|Betanal AM|Betanal AM 11|Betanex|BRN 2395716|Carbanilic acid, m-carbaniloyloxy-, ethyl ester|Caswell No. 447AAA|Desmediphame|EINECS 237-198-5|EPA Pesticide Chemical Code 104801|Ethyl|Ethyl 3-phenylcarbamoyloxyphenylcarbamate|Ethyl 3'-phenylcarbamoyloxycarbanilate|Ethyl phenylcarbamoyloxyphenylcarbamate|Schering 38107|Synbetan D|UNII-C7V2TTX346|125579-95-5|153703-69-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034518
ARPathway2016 ARPathway2016_807 Desmedipham 13684-56-5 DTXSID0034518 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)NC1=CC(OC(=O)NC2=CC=CC=C2)=CC=C1 Desmedipham 13684-56-5|Desmedipham|3-((Ethoxycarbonyl)amino)phenyl phenylcarbamate|3-(Aethoxycarbonylaminophenyl)-N-phenyl-carbamat|3-[(ethoxycarbonyl)amino]phenyl phenylcarbamate|3-Ethoxycarbonylaminophenyl-N-phenylcarbamate|Betanal AM|Betanal AM 11|Betanex|BRN 2395716|Carbanilic acid, m-carbaniloyloxy-, ethyl ester|Caswell No. 447AAA|Desmediphame|EINECS 237-198-5|EPA Pesticide Chemical Code 104801|Ethyl|Ethyl 3-phenylcarbamoyloxyphenylcarbamate|Ethyl 3'-phenylcarbamoyloxycarbanilate|Ethyl phenylcarbamoyloxyphenylcarbamate|Schering 38107|Synbetan D|UNII-C7V2TTX346|125579-95-5|153703-69-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034518
ERPathway2016 ERPathway2016_515 Desmedipham 13684-56-5 DTXSID0034518 A15 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)NC1=CC(OC(=O)NC2=CC=CC=C2)=CC=C1 Desmedipham 13684-56-5|Desmedipham|3-((Ethoxycarbonyl)amino)phenyl phenylcarbamate|3-(Aethoxycarbonylaminophenyl)-N-phenyl-carbamat|3-[(ethoxycarbonyl)amino]phenyl phenylcarbamate|3-Ethoxycarbonylaminophenyl-N-phenylcarbamate|Betanal AM|Betanal AM 11|Betanex|BRN 2395716|Carbanilic acid, m-carbaniloyloxy-, ethyl ester|Caswell No. 447AAA|Desmediphame|EINECS 237-198-5|EPA Pesticide Chemical Code 104801|Ethyl|Ethyl 3-phenylcarbamoyloxyphenylcarbamate|Ethyl 3'-phenylcarbamoyloxycarbanilate|Ethyl phenylcarbamoyloxyphenylcarbamate|Schering 38107|Synbetan D|UNII-C7V2TTX346|125579-95-5|153703-69-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034518
ERPathway2016 ERPathway2016_515 Desmedipham 13684-56-5 DTXSID0034518 A15 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)NC1=CC(OC(=O)NC2=CC=CC=C2)=CC=C1 Desmedipham 13684-56-5|Desmedipham|3-((Ethoxycarbonyl)amino)phenyl phenylcarbamate|3-(Aethoxycarbonylaminophenyl)-N-phenyl-carbamat|3-[(ethoxycarbonyl)amino]phenyl phenylcarbamate|3-Ethoxycarbonylaminophenyl-N-phenylcarbamate|Betanal AM|Betanal AM 11|Betanex|BRN 2395716|Carbanilic acid, m-carbaniloyloxy-, ethyl ester|Caswell No. 447AAA|Desmediphame|EINECS 237-198-5|EPA Pesticide Chemical Code 104801|Ethyl|Ethyl 3-phenylcarbamoyloxyphenylcarbamate|Ethyl 3'-phenylcarbamoyloxycarbanilate|Ethyl phenylcarbamoyloxyphenylcarbamate|Schering 38107|Synbetan D|UNII-C7V2TTX346|125579-95-5|153703-69-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034518
ERPathway2016 ERPathway2016_515 Desmedipham 13684-56-5 DTXSID0034518 A15 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)NC1=CC(OC(=O)NC2=CC=CC=C2)=CC=C1 Desmedipham 13684-56-5|Desmedipham|3-((Ethoxycarbonyl)amino)phenyl phenylcarbamate|3-(Aethoxycarbonylaminophenyl)-N-phenyl-carbamat|3-[(ethoxycarbonyl)amino]phenyl phenylcarbamate|3-Ethoxycarbonylaminophenyl-N-phenylcarbamate|Betanal AM|Betanal AM 11|Betanex|BRN 2395716|Carbanilic acid, m-carbaniloyloxy-, ethyl ester|Caswell No. 447AAA|Desmediphame|EINECS 237-198-5|EPA Pesticide Chemical Code 104801|Ethyl|Ethyl 3-phenylcarbamoyloxyphenylcarbamate|Ethyl 3'-phenylcarbamoyloxycarbanilate|Ethyl phenylcarbamoyloxyphenylcarbamate|Schering 38107|Synbetan D|UNII-C7V2TTX346|125579-95-5|153703-69-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034518
ERPathway2016 ERPathway2016_515 Desmedipham 13684-56-5 DTXSID0034518 A15 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)NC1=CC(OC(=O)NC2=CC=CC=C2)=CC=C1 Desmedipham 13684-56-5|Desmedipham|3-((Ethoxycarbonyl)amino)phenyl phenylcarbamate|3-(Aethoxycarbonylaminophenyl)-N-phenyl-carbamat|3-[(ethoxycarbonyl)amino]phenyl phenylcarbamate|3-Ethoxycarbonylaminophenyl-N-phenylcarbamate|Betanal AM|Betanal AM 11|Betanex|BRN 2395716|Carbanilic acid, m-carbaniloyloxy-, ethyl ester|Caswell No. 447AAA|Desmediphame|EINECS 237-198-5|EPA Pesticide Chemical Code 104801|Ethyl|Ethyl 3-phenylcarbamoyloxyphenylcarbamate|Ethyl 3'-phenylcarbamoyloxycarbanilate|Ethyl phenylcarbamoyloxyphenylcarbamate|Schering 38107|Synbetan D|UNII-C7V2TTX346|125579-95-5|153703-69-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034518
ARPathway2016 ARPathway2016_356 Dexamethasone sodium phosphate 2392-39-4 DTXSID3047429 1.0 Agonist AR Pathway Model, Antagonist ACC 0.356107699 uM [Na+].[Na+].[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Dexamethasone sodium phosphate 2392-39-4|Dexamethasone sodium phosphate|21-Disodium phosphate dexamethasone|Ak-Dex|Baldex|Colvasone|Corson|Corson (pharmaceutical)|Dalalone|Decadron phosphate|Decdan|Desashock|Dexabene|Dexacort|Dexadreson|Dexagel|Dexagro|Dexaject SP|Dexamethasone 21-(disodium phosphate)|Dexamethasone 21-phosphate disodium salt|Dexamethasone disodium phosphate|Dexamethasone phosphate disodium salt|Dexamethasone phosphate sodium salt|Dexamethasone-21-phosphate disodium salt|Dexamethazone sodium phosphate|Dezone|Disodium dexamethasone 21-monophosphate|Disodium dexamethasone 21-phosphate|Disodium dexamethasone phosphate|EINECS 219-243-0|Maxidex Ointment|Megacort|Onadron|Orgadrone|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, sodium salt (1:2), (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihydroxy-16a-methyl-, 21-(dihydrogen phosphate) disodium salt|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihy|55203-24-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047429
ARPathway2016 ARPathway2016_356 Dexamethasone sodium phosphate 2392-39-4 DTXSID3047429 1.0 Agonist AR Pathway Model, Antagonist AC50 1.67724073397508 uM [Na+].[Na+].[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Dexamethasone sodium phosphate 2392-39-4|Dexamethasone sodium phosphate|21-Disodium phosphate dexamethasone|Ak-Dex|Baldex|Colvasone|Corson|Corson (pharmaceutical)|Dalalone|Decadron phosphate|Decdan|Desashock|Dexabene|Dexacort|Dexadreson|Dexagel|Dexagro|Dexaject SP|Dexamethasone 21-(disodium phosphate)|Dexamethasone 21-phosphate disodium salt|Dexamethasone disodium phosphate|Dexamethasone phosphate disodium salt|Dexamethasone phosphate sodium salt|Dexamethasone-21-phosphate disodium salt|Dexamethazone sodium phosphate|Dezone|Disodium dexamethasone 21-monophosphate|Disodium dexamethasone 21-phosphate|Disodium dexamethasone phosphate|EINECS 219-243-0|Maxidex Ointment|Megacort|Onadron|Orgadrone|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, sodium salt (1:2), (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihydroxy-16a-methyl-, 21-(dihydrogen phosphate) disodium salt|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihy|55203-24-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047429
ARPathway2016 ARPathway2016_356 Dexamethasone sodium phosphate 2392-39-4 DTXSID3047429 1.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Dexamethasone sodium phosphate 2392-39-4|Dexamethasone sodium phosphate|21-Disodium phosphate dexamethasone|Ak-Dex|Baldex|Colvasone|Corson|Corson (pharmaceutical)|Dalalone|Decadron phosphate|Decdan|Desashock|Dexabene|Dexacort|Dexadreson|Dexagel|Dexagro|Dexaject SP|Dexamethasone 21-(disodium phosphate)|Dexamethasone 21-phosphate disodium salt|Dexamethasone disodium phosphate|Dexamethasone phosphate disodium salt|Dexamethasone phosphate sodium salt|Dexamethasone-21-phosphate disodium salt|Dexamethazone sodium phosphate|Dezone|Disodium dexamethasone 21-monophosphate|Disodium dexamethasone 21-phosphate|Disodium dexamethasone phosphate|EINECS 219-243-0|Maxidex Ointment|Megacort|Onadron|Orgadrone|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, sodium salt (1:2), (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihydroxy-16a-methyl-, 21-(dihydrogen phosphate) disodium salt|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihy|55203-24-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047429
ARPathway2016 ARPathway2016_356 Dexamethasone sodium phosphate 2392-39-4 DTXSID3047429 1.0 Agonist AR Pathway Model, Agonist Model Score 0.341 Unitless [Na+].[Na+].[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Dexamethasone sodium phosphate 2392-39-4|Dexamethasone sodium phosphate|21-Disodium phosphate dexamethasone|Ak-Dex|Baldex|Colvasone|Corson|Corson (pharmaceutical)|Dalalone|Decadron phosphate|Decdan|Desashock|Dexabene|Dexacort|Dexadreson|Dexagel|Dexagro|Dexaject SP|Dexamethasone 21-(disodium phosphate)|Dexamethasone 21-phosphate disodium salt|Dexamethasone disodium phosphate|Dexamethasone phosphate disodium salt|Dexamethasone phosphate sodium salt|Dexamethasone-21-phosphate disodium salt|Dexamethazone sodium phosphate|Dezone|Disodium dexamethasone 21-monophosphate|Disodium dexamethasone 21-phosphate|Disodium dexamethasone phosphate|EINECS 219-243-0|Maxidex Ointment|Megacort|Onadron|Orgadrone|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, sodium salt (1:2), (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihydroxy-16a-methyl-, 21-(dihydrogen phosphate) disodium salt|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihy|55203-24-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047429
ARPathway2016 ARPathway2016_356 Dexamethasone sodium phosphate 2392-39-4 DTXSID3047429 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Dexamethasone sodium phosphate 2392-39-4|Dexamethasone sodium phosphate|21-Disodium phosphate dexamethasone|Ak-Dex|Baldex|Colvasone|Corson|Corson (pharmaceutical)|Dalalone|Decadron phosphate|Decdan|Desashock|Dexabene|Dexacort|Dexadreson|Dexagel|Dexagro|Dexaject SP|Dexamethasone 21-(disodium phosphate)|Dexamethasone 21-phosphate disodium salt|Dexamethasone disodium phosphate|Dexamethasone phosphate disodium salt|Dexamethasone phosphate sodium salt|Dexamethasone-21-phosphate disodium salt|Dexamethazone sodium phosphate|Dezone|Disodium dexamethasone 21-monophosphate|Disodium dexamethasone 21-phosphate|Disodium dexamethasone phosphate|EINECS 219-243-0|Maxidex Ointment|Megacort|Onadron|Orgadrone|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, sodium salt (1:2), (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihydroxy-16a-methyl-, 21-(dihydrogen phosphate) disodium salt|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihy|55203-24-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047429
ARPathway2016 ARPathway2016_356 Dexamethasone sodium phosphate 2392-39-4 DTXSID3047429 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless [Na+].[Na+].[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Dexamethasone sodium phosphate 2392-39-4|Dexamethasone sodium phosphate|21-Disodium phosphate dexamethasone|Ak-Dex|Baldex|Colvasone|Corson|Corson (pharmaceutical)|Dalalone|Decadron phosphate|Decdan|Desashock|Dexabene|Dexacort|Dexadreson|Dexagel|Dexagro|Dexaject SP|Dexamethasone 21-(disodium phosphate)|Dexamethasone 21-phosphate disodium salt|Dexamethasone disodium phosphate|Dexamethasone phosphate disodium salt|Dexamethasone phosphate sodium salt|Dexamethasone-21-phosphate disodium salt|Dexamethazone sodium phosphate|Dezone|Disodium dexamethasone 21-monophosphate|Disodium dexamethasone 21-phosphate|Disodium dexamethasone phosphate|EINECS 219-243-0|Maxidex Ointment|Megacort|Onadron|Orgadrone|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, sodium salt (1:2), (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihydroxy-16a-methyl-, 21-(dihydrogen phosphate) disodium salt|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihy|55203-24-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047429
ERPathway2016 ERPathway2016_1390 Dexamethasone sodium phosphate 2392-39-4 DTXSID3047429 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Dexamethasone sodium phosphate 2392-39-4|Dexamethasone sodium phosphate|21-Disodium phosphate dexamethasone|Ak-Dex|Baldex|Colvasone|Corson|Corson (pharmaceutical)|Dalalone|Decadron phosphate|Decdan|Desashock|Dexabene|Dexacort|Dexadreson|Dexagel|Dexagro|Dexaject SP|Dexamethasone 21-(disodium phosphate)|Dexamethasone 21-phosphate disodium salt|Dexamethasone disodium phosphate|Dexamethasone phosphate disodium salt|Dexamethasone phosphate sodium salt|Dexamethasone-21-phosphate disodium salt|Dexamethazone sodium phosphate|Dezone|Disodium dexamethasone 21-monophosphate|Disodium dexamethasone 21-phosphate|Disodium dexamethasone phosphate|EINECS 219-243-0|Maxidex Ointment|Megacort|Onadron|Orgadrone|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, sodium salt (1:2), (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihydroxy-16a-methyl-, 21-(dihydrogen phosphate) disodium salt|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihy|55203-24-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047429
ERPathway2016 ERPathway2016_1390 Dexamethasone sodium phosphate 2392-39-4 DTXSID3047429 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Dexamethasone sodium phosphate 2392-39-4|Dexamethasone sodium phosphate|21-Disodium phosphate dexamethasone|Ak-Dex|Baldex|Colvasone|Corson|Corson (pharmaceutical)|Dalalone|Decadron phosphate|Decdan|Desashock|Dexabene|Dexacort|Dexadreson|Dexagel|Dexagro|Dexaject SP|Dexamethasone 21-(disodium phosphate)|Dexamethasone 21-phosphate disodium salt|Dexamethasone disodium phosphate|Dexamethasone phosphate disodium salt|Dexamethasone phosphate sodium salt|Dexamethasone-21-phosphate disodium salt|Dexamethazone sodium phosphate|Dezone|Disodium dexamethasone 21-monophosphate|Disodium dexamethasone 21-phosphate|Disodium dexamethasone phosphate|EINECS 219-243-0|Maxidex Ointment|Megacort|Onadron|Orgadrone|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, sodium salt (1:2), (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihydroxy-16a-methyl-, 21-(dihydrogen phosphate) disodium salt|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihy|55203-24-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047429
ERPathway2016 ERPathway2016_1390 Dexamethasone sodium phosphate 2392-39-4 DTXSID3047429 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Dexamethasone sodium phosphate 2392-39-4|Dexamethasone sodium phosphate|21-Disodium phosphate dexamethasone|Ak-Dex|Baldex|Colvasone|Corson|Corson (pharmaceutical)|Dalalone|Decadron phosphate|Decdan|Desashock|Dexabene|Dexacort|Dexadreson|Dexagel|Dexagro|Dexaject SP|Dexamethasone 21-(disodium phosphate)|Dexamethasone 21-phosphate disodium salt|Dexamethasone disodium phosphate|Dexamethasone phosphate disodium salt|Dexamethasone phosphate sodium salt|Dexamethasone-21-phosphate disodium salt|Dexamethazone sodium phosphate|Dezone|Disodium dexamethasone 21-monophosphate|Disodium dexamethasone 21-phosphate|Disodium dexamethasone phosphate|EINECS 219-243-0|Maxidex Ointment|Megacort|Onadron|Orgadrone|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, sodium salt (1:2), (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihydroxy-16a-methyl-, 21-(dihydrogen phosphate) disodium salt|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihy|55203-24-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047429
ERPathway2016 ERPathway2016_1390 Dexamethasone sodium phosphate 2392-39-4 DTXSID3047429 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Dexamethasone sodium phosphate 2392-39-4|Dexamethasone sodium phosphate|21-Disodium phosphate dexamethasone|Ak-Dex|Baldex|Colvasone|Corson|Corson (pharmaceutical)|Dalalone|Decadron phosphate|Decdan|Desashock|Dexabene|Dexacort|Dexadreson|Dexagel|Dexagro|Dexaject SP|Dexamethasone 21-(disodium phosphate)|Dexamethasone 21-phosphate disodium salt|Dexamethasone disodium phosphate|Dexamethasone phosphate disodium salt|Dexamethasone phosphate sodium salt|Dexamethasone-21-phosphate disodium salt|Dexamethazone sodium phosphate|Dezone|Disodium dexamethasone 21-monophosphate|Disodium dexamethasone 21-phosphate|Disodium dexamethasone phosphate|EINECS 219-243-0|Maxidex Ointment|Megacort|Onadron|Orgadrone|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, sodium salt (1:2), (11b,16a)-|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihydroxy-16a-methyl-, 21-(dihydrogen phosphate) disodium salt|Pregna-1,4-diene-3,20-dione, 9-fluoro-11b,17,21-trihy|55203-24-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047429
ARPathway2016 ARPathway2016_1247 D-Glucitol 50-70-4 DTXSID5023588 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO D-Glucitol 50-70-4|D-Glucitol|(-)-Sorbitol|(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol|C*Sorbidex|C*Sorbidex 16100|C*Sorbidex P 16616|Cerestar P 16616|Cholaxine|CSorbidex 16100|Cystosol|D-(-)-Sorbitol|D-1,2,3,4,5,6-Hexanehexol|D-Sorbit|D-Sorbit 50M|D-Sorbite|D-Sorbitol|D-Sorbol|Diakarmon|E 420|E-420|E420|EINECS 200-061-5|Esasorb|FEMA No. 3029|Foodol D 70|G-ol|Glc-ol|Glucarine|Glucitol|Glucitol, D-|Gulitol|Hexahydric alcohol|Karion|Karion instant|Kyowa Powder 50M|L-Gulitol|Medevac|Multitol|Neosorb|Neosorb 20/60DC|Neosorb 70/02|Neosorb 70/20|Neosorb 70/70|Neosorb P 20/60|Neosorb P 60|Neosorb P 60W|Nivitin|NSC 25944|Resulax|Sionit|Sionit K|Sionite|Sionon|Siosan|Sorbex M|Sorbex R|Sorbex Rp|Sorbex S|Sorbex X|Sorbicolan|Sorbidex S 16601|Sorbilande|Sorbilax|Sorbit|Sorbit D|Sorbit D 70|Sorbit D-Powder|Sorbit DP|Sorbit DP 50|Sorbit Kyowa Powder 50M|Sorbit L 70|Sorbit LTSP|Sorbit S|Sorbit T 70|Sorbit W 70|Sorbit W-Powder|Sorbit W-Powder 50|Sorbit WP|Sorbite|Sorbitol|Sorbitol 3.3% in plastic container|Sorbitol 3% in plastic container|Sorbitol F|Sorbitol |15060-73-8|36134-87-9|3959-53-3|63800-20-4|75398-79-7|8013-15-8|8014-89-9|8036-93-9|8042-39-5|8045-74-7|8046-05-7|952319-42-5|98201-93-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023588
ARPathway2016 ARPathway2016_1247 D-Glucitol 50-70-4 DTXSID5023588 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO D-Glucitol 50-70-4|D-Glucitol|(-)-Sorbitol|(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol|C*Sorbidex|C*Sorbidex 16100|C*Sorbidex P 16616|Cerestar P 16616|Cholaxine|CSorbidex 16100|Cystosol|D-(-)-Sorbitol|D-1,2,3,4,5,6-Hexanehexol|D-Sorbit|D-Sorbit 50M|D-Sorbite|D-Sorbitol|D-Sorbol|Diakarmon|E 420|E-420|E420|EINECS 200-061-5|Esasorb|FEMA No. 3029|Foodol D 70|G-ol|Glc-ol|Glucarine|Glucitol|Glucitol, D-|Gulitol|Hexahydric alcohol|Karion|Karion instant|Kyowa Powder 50M|L-Gulitol|Medevac|Multitol|Neosorb|Neosorb 20/60DC|Neosorb 70/02|Neosorb 70/20|Neosorb 70/70|Neosorb P 20/60|Neosorb P 60|Neosorb P 60W|Nivitin|NSC 25944|Resulax|Sionit|Sionit K|Sionite|Sionon|Siosan|Sorbex M|Sorbex R|Sorbex Rp|Sorbex S|Sorbex X|Sorbicolan|Sorbidex S 16601|Sorbilande|Sorbilax|Sorbit|Sorbit D|Sorbit D 70|Sorbit D-Powder|Sorbit DP|Sorbit DP 50|Sorbit Kyowa Powder 50M|Sorbit L 70|Sorbit LTSP|Sorbit S|Sorbit T 70|Sorbit W 70|Sorbit W-Powder|Sorbit W-Powder 50|Sorbit WP|Sorbite|Sorbitol|Sorbitol 3.3% in plastic container|Sorbitol 3% in plastic container|Sorbitol F|Sorbitol |15060-73-8|36134-87-9|3959-53-3|63800-20-4|75398-79-7|8013-15-8|8014-89-9|8036-93-9|8042-39-5|8045-74-7|8046-05-7|952319-42-5|98201-93-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023588
ARPathway2016 ARPathway2016_1247 D-Glucitol 50-70-4 DTXSID5023588 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO D-Glucitol 50-70-4|D-Glucitol|(-)-Sorbitol|(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol|C*Sorbidex|C*Sorbidex 16100|C*Sorbidex P 16616|Cerestar P 16616|Cholaxine|CSorbidex 16100|Cystosol|D-(-)-Sorbitol|D-1,2,3,4,5,6-Hexanehexol|D-Sorbit|D-Sorbit 50M|D-Sorbite|D-Sorbitol|D-Sorbol|Diakarmon|E 420|E-420|E420|EINECS 200-061-5|Esasorb|FEMA No. 3029|Foodol D 70|G-ol|Glc-ol|Glucarine|Glucitol|Glucitol, D-|Gulitol|Hexahydric alcohol|Karion|Karion instant|Kyowa Powder 50M|L-Gulitol|Medevac|Multitol|Neosorb|Neosorb 20/60DC|Neosorb 70/02|Neosorb 70/20|Neosorb 70/70|Neosorb P 20/60|Neosorb P 60|Neosorb P 60W|Nivitin|NSC 25944|Resulax|Sionit|Sionit K|Sionite|Sionon|Siosan|Sorbex M|Sorbex R|Sorbex Rp|Sorbex S|Sorbex X|Sorbicolan|Sorbidex S 16601|Sorbilande|Sorbilax|Sorbit|Sorbit D|Sorbit D 70|Sorbit D-Powder|Sorbit DP|Sorbit DP 50|Sorbit Kyowa Powder 50M|Sorbit L 70|Sorbit LTSP|Sorbit S|Sorbit T 70|Sorbit W 70|Sorbit W-Powder|Sorbit W-Powder 50|Sorbit WP|Sorbite|Sorbitol|Sorbitol 3.3% in plastic container|Sorbitol 3% in plastic container|Sorbitol F|Sorbitol |15060-73-8|36134-87-9|3959-53-3|63800-20-4|75398-79-7|8013-15-8|8014-89-9|8036-93-9|8042-39-5|8045-74-7|8046-05-7|952319-42-5|98201-93-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023588
ARPathway2016 ARPathway2016_1247 D-Glucitol 50-70-4 DTXSID5023588 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO D-Glucitol 50-70-4|D-Glucitol|(-)-Sorbitol|(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol|C*Sorbidex|C*Sorbidex 16100|C*Sorbidex P 16616|Cerestar P 16616|Cholaxine|CSorbidex 16100|Cystosol|D-(-)-Sorbitol|D-1,2,3,4,5,6-Hexanehexol|D-Sorbit|D-Sorbit 50M|D-Sorbite|D-Sorbitol|D-Sorbol|Diakarmon|E 420|E-420|E420|EINECS 200-061-5|Esasorb|FEMA No. 3029|Foodol D 70|G-ol|Glc-ol|Glucarine|Glucitol|Glucitol, D-|Gulitol|Hexahydric alcohol|Karion|Karion instant|Kyowa Powder 50M|L-Gulitol|Medevac|Multitol|Neosorb|Neosorb 20/60DC|Neosorb 70/02|Neosorb 70/20|Neosorb 70/70|Neosorb P 20/60|Neosorb P 60|Neosorb P 60W|Nivitin|NSC 25944|Resulax|Sionit|Sionit K|Sionite|Sionon|Siosan|Sorbex M|Sorbex R|Sorbex Rp|Sorbex S|Sorbex X|Sorbicolan|Sorbidex S 16601|Sorbilande|Sorbilax|Sorbit|Sorbit D|Sorbit D 70|Sorbit D-Powder|Sorbit DP|Sorbit DP 50|Sorbit Kyowa Powder 50M|Sorbit L 70|Sorbit LTSP|Sorbit S|Sorbit T 70|Sorbit W 70|Sorbit W-Powder|Sorbit W-Powder 50|Sorbit WP|Sorbite|Sorbitol|Sorbitol 3.3% in plastic container|Sorbitol 3% in plastic container|Sorbitol F|Sorbitol |15060-73-8|36134-87-9|3959-53-3|63800-20-4|75398-79-7|8013-15-8|8014-89-9|8036-93-9|8042-39-5|8045-74-7|8046-05-7|952319-42-5|98201-93-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023588
ERPathway2016 ERPathway2016_1498 D-Glucitol 50-70-4 DTXSID5023588 ER Pathway Model, Agonist Model Score 0 Unitless OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO D-Glucitol 50-70-4|D-Glucitol|(-)-Sorbitol|(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol|C*Sorbidex|C*Sorbidex 16100|C*Sorbidex P 16616|Cerestar P 16616|Cholaxine|CSorbidex 16100|Cystosol|D-(-)-Sorbitol|D-1,2,3,4,5,6-Hexanehexol|D-Sorbit|D-Sorbit 50M|D-Sorbite|D-Sorbitol|D-Sorbol|Diakarmon|E 420|E-420|E420|EINECS 200-061-5|Esasorb|FEMA No. 3029|Foodol D 70|G-ol|Glc-ol|Glucarine|Glucitol|Glucitol, D-|Gulitol|Hexahydric alcohol|Karion|Karion instant|Kyowa Powder 50M|L-Gulitol|Medevac|Multitol|Neosorb|Neosorb 20/60DC|Neosorb 70/02|Neosorb 70/20|Neosorb 70/70|Neosorb P 20/60|Neosorb P 60|Neosorb P 60W|Nivitin|NSC 25944|Resulax|Sionit|Sionit K|Sionite|Sionon|Siosan|Sorbex M|Sorbex R|Sorbex Rp|Sorbex S|Sorbex X|Sorbicolan|Sorbidex S 16601|Sorbilande|Sorbilax|Sorbit|Sorbit D|Sorbit D 70|Sorbit D-Powder|Sorbit DP|Sorbit DP 50|Sorbit Kyowa Powder 50M|Sorbit L 70|Sorbit LTSP|Sorbit S|Sorbit T 70|Sorbit W 70|Sorbit W-Powder|Sorbit W-Powder 50|Sorbit WP|Sorbite|Sorbitol|Sorbitol 3.3% in plastic container|Sorbitol 3% in plastic container|Sorbitol F|Sorbitol |15060-73-8|36134-87-9|3959-53-3|63800-20-4|75398-79-7|8013-15-8|8014-89-9|8036-93-9|8042-39-5|8045-74-7|8046-05-7|952319-42-5|98201-93-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023588
ERPathway2016 ERPathway2016_1498 D-Glucitol 50-70-4 DTXSID5023588 ER Pathway Model, Antagonist Model Score 0 Unitless OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO D-Glucitol 50-70-4|D-Glucitol|(-)-Sorbitol|(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol|C*Sorbidex|C*Sorbidex 16100|C*Sorbidex P 16616|Cerestar P 16616|Cholaxine|CSorbidex 16100|Cystosol|D-(-)-Sorbitol|D-1,2,3,4,5,6-Hexanehexol|D-Sorbit|D-Sorbit 50M|D-Sorbite|D-Sorbitol|D-Sorbol|Diakarmon|E 420|E-420|E420|EINECS 200-061-5|Esasorb|FEMA No. 3029|Foodol D 70|G-ol|Glc-ol|Glucarine|Glucitol|Glucitol, D-|Gulitol|Hexahydric alcohol|Karion|Karion instant|Kyowa Powder 50M|L-Gulitol|Medevac|Multitol|Neosorb|Neosorb 20/60DC|Neosorb 70/02|Neosorb 70/20|Neosorb 70/70|Neosorb P 20/60|Neosorb P 60|Neosorb P 60W|Nivitin|NSC 25944|Resulax|Sionit|Sionit K|Sionite|Sionon|Siosan|Sorbex M|Sorbex R|Sorbex Rp|Sorbex S|Sorbex X|Sorbicolan|Sorbidex S 16601|Sorbilande|Sorbilax|Sorbit|Sorbit D|Sorbit D 70|Sorbit D-Powder|Sorbit DP|Sorbit DP 50|Sorbit Kyowa Powder 50M|Sorbit L 70|Sorbit LTSP|Sorbit S|Sorbit T 70|Sorbit W 70|Sorbit W-Powder|Sorbit W-Powder 50|Sorbit WP|Sorbite|Sorbitol|Sorbitol 3.3% in plastic container|Sorbitol 3% in plastic container|Sorbitol F|Sorbitol |15060-73-8|36134-87-9|3959-53-3|63800-20-4|75398-79-7|8013-15-8|8014-89-9|8036-93-9|8042-39-5|8045-74-7|8046-05-7|952319-42-5|98201-93-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023588
ERPathway2016 ERPathway2016_1498 D-Glucitol 50-70-4 DTXSID5023588 ER Pathway Model, Agonist Call Inactive Unitless OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO D-Glucitol 50-70-4|D-Glucitol|(-)-Sorbitol|(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol|C*Sorbidex|C*Sorbidex 16100|C*Sorbidex P 16616|Cerestar P 16616|Cholaxine|CSorbidex 16100|Cystosol|D-(-)-Sorbitol|D-1,2,3,4,5,6-Hexanehexol|D-Sorbit|D-Sorbit 50M|D-Sorbite|D-Sorbitol|D-Sorbol|Diakarmon|E 420|E-420|E420|EINECS 200-061-5|Esasorb|FEMA No. 3029|Foodol D 70|G-ol|Glc-ol|Glucarine|Glucitol|Glucitol, D-|Gulitol|Hexahydric alcohol|Karion|Karion instant|Kyowa Powder 50M|L-Gulitol|Medevac|Multitol|Neosorb|Neosorb 20/60DC|Neosorb 70/02|Neosorb 70/20|Neosorb 70/70|Neosorb P 20/60|Neosorb P 60|Neosorb P 60W|Nivitin|NSC 25944|Resulax|Sionit|Sionit K|Sionite|Sionon|Siosan|Sorbex M|Sorbex R|Sorbex Rp|Sorbex S|Sorbex X|Sorbicolan|Sorbidex S 16601|Sorbilande|Sorbilax|Sorbit|Sorbit D|Sorbit D 70|Sorbit D-Powder|Sorbit DP|Sorbit DP 50|Sorbit Kyowa Powder 50M|Sorbit L 70|Sorbit LTSP|Sorbit S|Sorbit T 70|Sorbit W 70|Sorbit W-Powder|Sorbit W-Powder 50|Sorbit WP|Sorbite|Sorbitol|Sorbitol 3.3% in plastic container|Sorbitol 3% in plastic container|Sorbitol F|Sorbitol |15060-73-8|36134-87-9|3959-53-3|63800-20-4|75398-79-7|8013-15-8|8014-89-9|8036-93-9|8042-39-5|8045-74-7|8046-05-7|952319-42-5|98201-93-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023588
ERPathway2016 ERPathway2016_1498 D-Glucitol 50-70-4 DTXSID5023588 ER Pathway Model, Antagonist Call Inactive Unitless OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO D-Glucitol 50-70-4|D-Glucitol|(-)-Sorbitol|(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol|C*Sorbidex|C*Sorbidex 16100|C*Sorbidex P 16616|Cerestar P 16616|Cholaxine|CSorbidex 16100|Cystosol|D-(-)-Sorbitol|D-1,2,3,4,5,6-Hexanehexol|D-Sorbit|D-Sorbit 50M|D-Sorbite|D-Sorbitol|D-Sorbol|Diakarmon|E 420|E-420|E420|EINECS 200-061-5|Esasorb|FEMA No. 3029|Foodol D 70|G-ol|Glc-ol|Glucarine|Glucitol|Glucitol, D-|Gulitol|Hexahydric alcohol|Karion|Karion instant|Kyowa Powder 50M|L-Gulitol|Medevac|Multitol|Neosorb|Neosorb 20/60DC|Neosorb 70/02|Neosorb 70/20|Neosorb 70/70|Neosorb P 20/60|Neosorb P 60|Neosorb P 60W|Nivitin|NSC 25944|Resulax|Sionit|Sionit K|Sionite|Sionon|Siosan|Sorbex M|Sorbex R|Sorbex Rp|Sorbex S|Sorbex X|Sorbicolan|Sorbidex S 16601|Sorbilande|Sorbilax|Sorbit|Sorbit D|Sorbit D 70|Sorbit D-Powder|Sorbit DP|Sorbit DP 50|Sorbit Kyowa Powder 50M|Sorbit L 70|Sorbit LTSP|Sorbit S|Sorbit T 70|Sorbit W 70|Sorbit W-Powder|Sorbit W-Powder 50|Sorbit WP|Sorbite|Sorbitol|Sorbitol 3.3% in plastic container|Sorbitol 3% in plastic container|Sorbitol F|Sorbitol |15060-73-8|36134-87-9|3959-53-3|63800-20-4|75398-79-7|8013-15-8|8014-89-9|8036-93-9|8042-39-5|8045-74-7|8046-05-7|952319-42-5|98201-93-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023588
ARPathway2016 ARPathway2016_640 Di(2-ethylhexyl) phthalate 117-81-7 DTXSID5020607 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC Di(2-ethylhexyl) phthalate 117-81-7|Di(2-ethylhexyl) phthalate|1,2-Benzedicarboxylic acid, bis(2-ethyl-hexyl) ester|1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid,bis(2-ethylhexylester)|2-Ethylhexyl phthalate|3315AF2|Bis-(2-ethylhexyl)-phthalate|Bis-(2-ethylhexyl)ester kyseliny ftalove|Bis-2-ethylhexyl phthalate|Bis(2-ethylhexyl) 1,2-benzenedicarboxylate|Bis(2-ethylhexyl) o-phthalate|bis(2-ethylhexyl) phthalate|Bis(2-ethylhexyl)phthalat|Bis(2-ethylhexyl)phthalate|Bis(ethylhexyl) phthalate|Bisoflex 81|Bisoflex DOP|BRN 1890696|Caswell No. 392K|Codan Set L 86P|Compound 889|Corflex 400|CX 166|D 109648|DEHP|Di-(2-ethylhexyl) phthalate|Di-2-ethylhexlphthalate|Di-2-ethylhexyl phthalate|DI-2-ETHYLHEXYL-PHTHALATE|di-iso-Octyl phthalate|Di-sec-octyl phthalate|Di(2-ethylhexyl) o-phthalate|Di(2-ethylhexyl) orthophthalate|Di(2-ethylhexyl)orthophthalate|Di(2-ethylhexyl)phthalate|di(alpha-Ethylhexyl) phthalate|Di(ethylhexyl) phthalate|Di(iso|109630-52-6|126639-29-0|137718-37-7|205180-59-2|275818-89-8|40120-69-2|50885-87-5|607374-50-5|8033-53-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020607 https://doi.org/10.22427/NTP-DATA-DTXSID5020607
ARPathway2016 ARPathway2016_640 Di(2-ethylhexyl) phthalate 117-81-7 DTXSID5020607 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC Di(2-ethylhexyl) phthalate 117-81-7|Di(2-ethylhexyl) phthalate|1,2-Benzedicarboxylic acid, bis(2-ethyl-hexyl) ester|1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid,bis(2-ethylhexylester)|2-Ethylhexyl phthalate|3315AF2|Bis-(2-ethylhexyl)-phthalate|Bis-(2-ethylhexyl)ester kyseliny ftalove|Bis-2-ethylhexyl phthalate|Bis(2-ethylhexyl) 1,2-benzenedicarboxylate|Bis(2-ethylhexyl) o-phthalate|bis(2-ethylhexyl) phthalate|Bis(2-ethylhexyl)phthalat|Bis(2-ethylhexyl)phthalate|Bis(ethylhexyl) phthalate|Bisoflex 81|Bisoflex DOP|BRN 1890696|Caswell No. 392K|Codan Set L 86P|Compound 889|Corflex 400|CX 166|D 109648|DEHP|Di-(2-ethylhexyl) phthalate|Di-2-ethylhexlphthalate|Di-2-ethylhexyl phthalate|DI-2-ETHYLHEXYL-PHTHALATE|di-iso-Octyl phthalate|Di-sec-octyl phthalate|Di(2-ethylhexyl) o-phthalate|Di(2-ethylhexyl) orthophthalate|Di(2-ethylhexyl)orthophthalate|Di(2-ethylhexyl)phthalate|di(alpha-Ethylhexyl) phthalate|Di(ethylhexyl) phthalate|Di(iso|109630-52-6|126639-29-0|137718-37-7|205180-59-2|275818-89-8|40120-69-2|50885-87-5|607374-50-5|8033-53-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020607 https://doi.org/10.22427/NTP-DATA-DTXSID5020607
ARPathway2016 ARPathway2016_640 Di(2-ethylhexyl) phthalate 117-81-7 DTXSID5020607 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC Di(2-ethylhexyl) phthalate 117-81-7|Di(2-ethylhexyl) phthalate|1,2-Benzedicarboxylic acid, bis(2-ethyl-hexyl) ester|1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid,bis(2-ethylhexylester)|2-Ethylhexyl phthalate|3315AF2|Bis-(2-ethylhexyl)-phthalate|Bis-(2-ethylhexyl)ester kyseliny ftalove|Bis-2-ethylhexyl phthalate|Bis(2-ethylhexyl) 1,2-benzenedicarboxylate|Bis(2-ethylhexyl) o-phthalate|bis(2-ethylhexyl) phthalate|Bis(2-ethylhexyl)phthalat|Bis(2-ethylhexyl)phthalate|Bis(ethylhexyl) phthalate|Bisoflex 81|Bisoflex DOP|BRN 1890696|Caswell No. 392K|Codan Set L 86P|Compound 889|Corflex 400|CX 166|D 109648|DEHP|Di-(2-ethylhexyl) phthalate|Di-2-ethylhexlphthalate|Di-2-ethylhexyl phthalate|DI-2-ETHYLHEXYL-PHTHALATE|di-iso-Octyl phthalate|Di-sec-octyl phthalate|Di(2-ethylhexyl) o-phthalate|Di(2-ethylhexyl) orthophthalate|Di(2-ethylhexyl)orthophthalate|Di(2-ethylhexyl)phthalate|di(alpha-Ethylhexyl) phthalate|Di(ethylhexyl) phthalate|Di(iso|109630-52-6|126639-29-0|137718-37-7|205180-59-2|275818-89-8|40120-69-2|50885-87-5|607374-50-5|8033-53-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020607 https://doi.org/10.22427/NTP-DATA-DTXSID5020607
ARPathway2016 ARPathway2016_640 Di(2-ethylhexyl) phthalate 117-81-7 DTXSID5020607 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC Di(2-ethylhexyl) phthalate 117-81-7|Di(2-ethylhexyl) phthalate|1,2-Benzedicarboxylic acid, bis(2-ethyl-hexyl) ester|1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid,bis(2-ethylhexylester)|2-Ethylhexyl phthalate|3315AF2|Bis-(2-ethylhexyl)-phthalate|Bis-(2-ethylhexyl)ester kyseliny ftalove|Bis-2-ethylhexyl phthalate|Bis(2-ethylhexyl) 1,2-benzenedicarboxylate|Bis(2-ethylhexyl) o-phthalate|bis(2-ethylhexyl) phthalate|Bis(2-ethylhexyl)phthalat|Bis(2-ethylhexyl)phthalate|Bis(ethylhexyl) phthalate|Bisoflex 81|Bisoflex DOP|BRN 1890696|Caswell No. 392K|Codan Set L 86P|Compound 889|Corflex 400|CX 166|D 109648|DEHP|Di-(2-ethylhexyl) phthalate|Di-2-ethylhexlphthalate|Di-2-ethylhexyl phthalate|DI-2-ETHYLHEXYL-PHTHALATE|di-iso-Octyl phthalate|Di-sec-octyl phthalate|Di(2-ethylhexyl) o-phthalate|Di(2-ethylhexyl) orthophthalate|Di(2-ethylhexyl)orthophthalate|Di(2-ethylhexyl)phthalate|di(alpha-Ethylhexyl) phthalate|Di(ethylhexyl) phthalate|Di(iso|109630-52-6|126639-29-0|137718-37-7|205180-59-2|275818-89-8|40120-69-2|50885-87-5|607374-50-5|8033-53-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020607 https://doi.org/10.22427/NTP-DATA-DTXSID5020607
ERPathway2016 ERPathway2016_964 Di(2-ethylhexyl) phthalate 117-81-7 DTXSID5020607 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC Di(2-ethylhexyl) phthalate 117-81-7|Di(2-ethylhexyl) phthalate|1,2-Benzedicarboxylic acid, bis(2-ethyl-hexyl) ester|1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid,bis(2-ethylhexylester)|2-Ethylhexyl phthalate|3315AF2|Bis-(2-ethylhexyl)-phthalate|Bis-(2-ethylhexyl)ester kyseliny ftalove|Bis-2-ethylhexyl phthalate|Bis(2-ethylhexyl) 1,2-benzenedicarboxylate|Bis(2-ethylhexyl) o-phthalate|bis(2-ethylhexyl) phthalate|Bis(2-ethylhexyl)phthalat|Bis(2-ethylhexyl)phthalate|Bis(ethylhexyl) phthalate|Bisoflex 81|Bisoflex DOP|BRN 1890696|Caswell No. 392K|Codan Set L 86P|Compound 889|Corflex 400|CX 166|D 109648|DEHP|Di-(2-ethylhexyl) phthalate|Di-2-ethylhexlphthalate|Di-2-ethylhexyl phthalate|DI-2-ETHYLHEXYL-PHTHALATE|di-iso-Octyl phthalate|Di-sec-octyl phthalate|Di(2-ethylhexyl) o-phthalate|Di(2-ethylhexyl) orthophthalate|Di(2-ethylhexyl)orthophthalate|Di(2-ethylhexyl)phthalate|di(alpha-Ethylhexyl) phthalate|Di(ethylhexyl) phthalate|Di(iso|109630-52-6|126639-29-0|137718-37-7|205180-59-2|275818-89-8|40120-69-2|50885-87-5|607374-50-5|8033-53-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020607 https://doi.org/10.22427/NTP-DATA-DTXSID5020607
ERPathway2016 ERPathway2016_964 Di(2-ethylhexyl) phthalate 117-81-7 DTXSID5020607 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC Di(2-ethylhexyl) phthalate 117-81-7|Di(2-ethylhexyl) phthalate|1,2-Benzedicarboxylic acid, bis(2-ethyl-hexyl) ester|1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid,bis(2-ethylhexylester)|2-Ethylhexyl phthalate|3315AF2|Bis-(2-ethylhexyl)-phthalate|Bis-(2-ethylhexyl)ester kyseliny ftalove|Bis-2-ethylhexyl phthalate|Bis(2-ethylhexyl) 1,2-benzenedicarboxylate|Bis(2-ethylhexyl) o-phthalate|bis(2-ethylhexyl) phthalate|Bis(2-ethylhexyl)phthalat|Bis(2-ethylhexyl)phthalate|Bis(ethylhexyl) phthalate|Bisoflex 81|Bisoflex DOP|BRN 1890696|Caswell No. 392K|Codan Set L 86P|Compound 889|Corflex 400|CX 166|D 109648|DEHP|Di-(2-ethylhexyl) phthalate|Di-2-ethylhexlphthalate|Di-2-ethylhexyl phthalate|DI-2-ETHYLHEXYL-PHTHALATE|di-iso-Octyl phthalate|Di-sec-octyl phthalate|Di(2-ethylhexyl) o-phthalate|Di(2-ethylhexyl) orthophthalate|Di(2-ethylhexyl)orthophthalate|Di(2-ethylhexyl)phthalate|di(alpha-Ethylhexyl) phthalate|Di(ethylhexyl) phthalate|Di(iso|109630-52-6|126639-29-0|137718-37-7|205180-59-2|275818-89-8|40120-69-2|50885-87-5|607374-50-5|8033-53-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020607 https://doi.org/10.22427/NTP-DATA-DTXSID5020607
ERPathway2016 ERPathway2016_964 Di(2-ethylhexyl) phthalate 117-81-7 DTXSID5020607 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC Di(2-ethylhexyl) phthalate 117-81-7|Di(2-ethylhexyl) phthalate|1,2-Benzedicarboxylic acid, bis(2-ethyl-hexyl) ester|1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid,bis(2-ethylhexylester)|2-Ethylhexyl phthalate|3315AF2|Bis-(2-ethylhexyl)-phthalate|Bis-(2-ethylhexyl)ester kyseliny ftalove|Bis-2-ethylhexyl phthalate|Bis(2-ethylhexyl) 1,2-benzenedicarboxylate|Bis(2-ethylhexyl) o-phthalate|bis(2-ethylhexyl) phthalate|Bis(2-ethylhexyl)phthalat|Bis(2-ethylhexyl)phthalate|Bis(ethylhexyl) phthalate|Bisoflex 81|Bisoflex DOP|BRN 1890696|Caswell No. 392K|Codan Set L 86P|Compound 889|Corflex 400|CX 166|D 109648|DEHP|Di-(2-ethylhexyl) phthalate|Di-2-ethylhexlphthalate|Di-2-ethylhexyl phthalate|DI-2-ETHYLHEXYL-PHTHALATE|di-iso-Octyl phthalate|Di-sec-octyl phthalate|Di(2-ethylhexyl) o-phthalate|Di(2-ethylhexyl) orthophthalate|Di(2-ethylhexyl)orthophthalate|Di(2-ethylhexyl)phthalate|di(alpha-Ethylhexyl) phthalate|Di(ethylhexyl) phthalate|Di(iso|109630-52-6|126639-29-0|137718-37-7|205180-59-2|275818-89-8|40120-69-2|50885-87-5|607374-50-5|8033-53-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020607 https://doi.org/10.22427/NTP-DATA-DTXSID5020607
ERPathway2016 ERPathway2016_964 Di(2-ethylhexyl) phthalate 117-81-7 DTXSID5020607 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC Di(2-ethylhexyl) phthalate 117-81-7|Di(2-ethylhexyl) phthalate|1,2-Benzedicarboxylic acid, bis(2-ethyl-hexyl) ester|1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester|1,2-Benzenedicarboxylic acid,bis(2-ethylhexylester)|2-Ethylhexyl phthalate|3315AF2|Bis-(2-ethylhexyl)-phthalate|Bis-(2-ethylhexyl)ester kyseliny ftalove|Bis-2-ethylhexyl phthalate|Bis(2-ethylhexyl) 1,2-benzenedicarboxylate|Bis(2-ethylhexyl) o-phthalate|bis(2-ethylhexyl) phthalate|Bis(2-ethylhexyl)phthalat|Bis(2-ethylhexyl)phthalate|Bis(ethylhexyl) phthalate|Bisoflex 81|Bisoflex DOP|BRN 1890696|Caswell No. 392K|Codan Set L 86P|Compound 889|Corflex 400|CX 166|D 109648|DEHP|Di-(2-ethylhexyl) phthalate|Di-2-ethylhexlphthalate|Di-2-ethylhexyl phthalate|DI-2-ETHYLHEXYL-PHTHALATE|di-iso-Octyl phthalate|Di-sec-octyl phthalate|Di(2-ethylhexyl) o-phthalate|Di(2-ethylhexyl) orthophthalate|Di(2-ethylhexyl)orthophthalate|Di(2-ethylhexyl)phthalate|di(alpha-Ethylhexyl) phthalate|Di(ethylhexyl) phthalate|Di(iso|109630-52-6|126639-29-0|137718-37-7|205180-59-2|275818-89-8|40120-69-2|50885-87-5|607374-50-5|8033-53-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020607 https://doi.org/10.22427/NTP-DATA-DTXSID5020607
ARPathway2016 ARPathway2016_721 Diacetone alcohol 123-42-2 DTXSID6024917 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)CC(C)(C)O Diacetone alcohol 123-42-2|Diacetone alcohol|2-Hydroxy-2-methyl-4-pentanone|2-Methyl-2-pentanol-4-one|2-Methyl-4-oxo-2-pentanol|2-Pentanone, 4-hydroxy-4-methyl|2-Pentanone, 4-hydroxy-4-methyl-|4-01-00-04023|4-hidroxi-4-metilpentan-2-ona|4-Hydroxy-2-keto-4-methylpentane|4-Hydroxy-4-methyl pentan-2-one|4-Hydroxy-4-methyl-2-oxopentane|4-Hydroxy-4-methyl-2-pentanone|4-Hydroxy-4-methyl-pentan-2-on|4-Hydroxy-4-methylpentan-2-on|4-Hydroxy-4-methylpentan-2-one|4-hydroxy-4-methylpentane-2-one|4-Hydroxy-4-methylpentanone-2|4-Idrossi-4-metil-pentan-2-one|4-Methyl-4-hydroxy-2-pentanone|Acetonyldimethylcarbinol|BRN 1740440|Caswell No. 280|Diacetonalcohol|Diacetonalcool|DIACETONALKOHOL|Diacetone|Diacetone-alcool|Diacetonyl alcohol|Diketone alcohol|Dimethyl acetonyl carbinol|EINECS 204-626-7|EPA Pesticide Chemical Code 033901|NSC 9005|PENTAN-2-ONE, 4-HYDROXY-4-METHYL-|Pyranton|Pyranton A|Tyranton|UN 1148|UNII-Q7WP157PTD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024917 https://doi.org/10.22427/NTP-DATA-DTXSID6024917
ARPathway2016 ARPathway2016_721 Diacetone alcohol 123-42-2 DTXSID6024917 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)CC(C)(C)O Diacetone alcohol 123-42-2|Diacetone alcohol|2-Hydroxy-2-methyl-4-pentanone|2-Methyl-2-pentanol-4-one|2-Methyl-4-oxo-2-pentanol|2-Pentanone, 4-hydroxy-4-methyl|2-Pentanone, 4-hydroxy-4-methyl-|4-01-00-04023|4-hidroxi-4-metilpentan-2-ona|4-Hydroxy-2-keto-4-methylpentane|4-Hydroxy-4-methyl pentan-2-one|4-Hydroxy-4-methyl-2-oxopentane|4-Hydroxy-4-methyl-2-pentanone|4-Hydroxy-4-methyl-pentan-2-on|4-Hydroxy-4-methylpentan-2-on|4-Hydroxy-4-methylpentan-2-one|4-hydroxy-4-methylpentane-2-one|4-Hydroxy-4-methylpentanone-2|4-Idrossi-4-metil-pentan-2-one|4-Methyl-4-hydroxy-2-pentanone|Acetonyldimethylcarbinol|BRN 1740440|Caswell No. 280|Diacetonalcohol|Diacetonalcool|DIACETONALKOHOL|Diacetone|Diacetone-alcool|Diacetonyl alcohol|Diketone alcohol|Dimethyl acetonyl carbinol|EINECS 204-626-7|EPA Pesticide Chemical Code 033901|NSC 9005|PENTAN-2-ONE, 4-HYDROXY-4-METHYL-|Pyranton|Pyranton A|Tyranton|UN 1148|UNII-Q7WP157PTD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024917 https://doi.org/10.22427/NTP-DATA-DTXSID6024917
ARPathway2016 ARPathway2016_721 Diacetone alcohol 123-42-2 DTXSID6024917 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)CC(C)(C)O Diacetone alcohol 123-42-2|Diacetone alcohol|2-Hydroxy-2-methyl-4-pentanone|2-Methyl-2-pentanol-4-one|2-Methyl-4-oxo-2-pentanol|2-Pentanone, 4-hydroxy-4-methyl|2-Pentanone, 4-hydroxy-4-methyl-|4-01-00-04023|4-hidroxi-4-metilpentan-2-ona|4-Hydroxy-2-keto-4-methylpentane|4-Hydroxy-4-methyl pentan-2-one|4-Hydroxy-4-methyl-2-oxopentane|4-Hydroxy-4-methyl-2-pentanone|4-Hydroxy-4-methyl-pentan-2-on|4-Hydroxy-4-methylpentan-2-on|4-Hydroxy-4-methylpentan-2-one|4-hydroxy-4-methylpentane-2-one|4-Hydroxy-4-methylpentanone-2|4-Idrossi-4-metil-pentan-2-one|4-Methyl-4-hydroxy-2-pentanone|Acetonyldimethylcarbinol|BRN 1740440|Caswell No. 280|Diacetonalcohol|Diacetonalcool|DIACETONALKOHOL|Diacetone|Diacetone-alcool|Diacetonyl alcohol|Diketone alcohol|Dimethyl acetonyl carbinol|EINECS 204-626-7|EPA Pesticide Chemical Code 033901|NSC 9005|PENTAN-2-ONE, 4-HYDROXY-4-METHYL-|Pyranton|Pyranton A|Tyranton|UN 1148|UNII-Q7WP157PTD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024917 https://doi.org/10.22427/NTP-DATA-DTXSID6024917
ARPathway2016 ARPathway2016_721 Diacetone alcohol 123-42-2 DTXSID6024917 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)CC(C)(C)O Diacetone alcohol 123-42-2|Diacetone alcohol|2-Hydroxy-2-methyl-4-pentanone|2-Methyl-2-pentanol-4-one|2-Methyl-4-oxo-2-pentanol|2-Pentanone, 4-hydroxy-4-methyl|2-Pentanone, 4-hydroxy-4-methyl-|4-01-00-04023|4-hidroxi-4-metilpentan-2-ona|4-Hydroxy-2-keto-4-methylpentane|4-Hydroxy-4-methyl pentan-2-one|4-Hydroxy-4-methyl-2-oxopentane|4-Hydroxy-4-methyl-2-pentanone|4-Hydroxy-4-methyl-pentan-2-on|4-Hydroxy-4-methylpentan-2-on|4-Hydroxy-4-methylpentan-2-one|4-hydroxy-4-methylpentane-2-one|4-Hydroxy-4-methylpentanone-2|4-Idrossi-4-metil-pentan-2-one|4-Methyl-4-hydroxy-2-pentanone|Acetonyldimethylcarbinol|BRN 1740440|Caswell No. 280|Diacetonalcohol|Diacetonalcool|DIACETONALKOHOL|Diacetone|Diacetone-alcool|Diacetonyl alcohol|Diketone alcohol|Dimethyl acetonyl carbinol|EINECS 204-626-7|EPA Pesticide Chemical Code 033901|NSC 9005|PENTAN-2-ONE, 4-HYDROXY-4-METHYL-|Pyranton|Pyranton A|Tyranton|UN 1148|UNII-Q7WP157PTD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024917 https://doi.org/10.22427/NTP-DATA-DTXSID6024917
ERPathway2016 ERPathway2016_1236 Diacetone alcohol 123-42-2 DTXSID6024917 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)CC(C)(C)O Diacetone alcohol 123-42-2|Diacetone alcohol|2-Hydroxy-2-methyl-4-pentanone|2-Methyl-2-pentanol-4-one|2-Methyl-4-oxo-2-pentanol|2-Pentanone, 4-hydroxy-4-methyl|2-Pentanone, 4-hydroxy-4-methyl-|4-01-00-04023|4-hidroxi-4-metilpentan-2-ona|4-Hydroxy-2-keto-4-methylpentane|4-Hydroxy-4-methyl pentan-2-one|4-Hydroxy-4-methyl-2-oxopentane|4-Hydroxy-4-methyl-2-pentanone|4-Hydroxy-4-methyl-pentan-2-on|4-Hydroxy-4-methylpentan-2-on|4-Hydroxy-4-methylpentan-2-one|4-hydroxy-4-methylpentane-2-one|4-Hydroxy-4-methylpentanone-2|4-Idrossi-4-metil-pentan-2-one|4-Methyl-4-hydroxy-2-pentanone|Acetonyldimethylcarbinol|BRN 1740440|Caswell No. 280|Diacetonalcohol|Diacetonalcool|DIACETONALKOHOL|Diacetone|Diacetone-alcool|Diacetonyl alcohol|Diketone alcohol|Dimethyl acetonyl carbinol|EINECS 204-626-7|EPA Pesticide Chemical Code 033901|NSC 9005|PENTAN-2-ONE, 4-HYDROXY-4-METHYL-|Pyranton|Pyranton A|Tyranton|UN 1148|UNII-Q7WP157PTD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024917 https://doi.org/10.22427/NTP-DATA-DTXSID6024917
ERPathway2016 ERPathway2016_1236 Diacetone alcohol 123-42-2 DTXSID6024917 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)CC(C)(C)O Diacetone alcohol 123-42-2|Diacetone alcohol|2-Hydroxy-2-methyl-4-pentanone|2-Methyl-2-pentanol-4-one|2-Methyl-4-oxo-2-pentanol|2-Pentanone, 4-hydroxy-4-methyl|2-Pentanone, 4-hydroxy-4-methyl-|4-01-00-04023|4-hidroxi-4-metilpentan-2-ona|4-Hydroxy-2-keto-4-methylpentane|4-Hydroxy-4-methyl pentan-2-one|4-Hydroxy-4-methyl-2-oxopentane|4-Hydroxy-4-methyl-2-pentanone|4-Hydroxy-4-methyl-pentan-2-on|4-Hydroxy-4-methylpentan-2-on|4-Hydroxy-4-methylpentan-2-one|4-hydroxy-4-methylpentane-2-one|4-Hydroxy-4-methylpentanone-2|4-Idrossi-4-metil-pentan-2-one|4-Methyl-4-hydroxy-2-pentanone|Acetonyldimethylcarbinol|BRN 1740440|Caswell No. 280|Diacetonalcohol|Diacetonalcool|DIACETONALKOHOL|Diacetone|Diacetone-alcool|Diacetonyl alcohol|Diketone alcohol|Dimethyl acetonyl carbinol|EINECS 204-626-7|EPA Pesticide Chemical Code 033901|NSC 9005|PENTAN-2-ONE, 4-HYDROXY-4-METHYL-|Pyranton|Pyranton A|Tyranton|UN 1148|UNII-Q7WP157PTD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024917 https://doi.org/10.22427/NTP-DATA-DTXSID6024917
ERPathway2016 ERPathway2016_1236 Diacetone alcohol 123-42-2 DTXSID6024917 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)CC(C)(C)O Diacetone alcohol 123-42-2|Diacetone alcohol|2-Hydroxy-2-methyl-4-pentanone|2-Methyl-2-pentanol-4-one|2-Methyl-4-oxo-2-pentanol|2-Pentanone, 4-hydroxy-4-methyl|2-Pentanone, 4-hydroxy-4-methyl-|4-01-00-04023|4-hidroxi-4-metilpentan-2-ona|4-Hydroxy-2-keto-4-methylpentane|4-Hydroxy-4-methyl pentan-2-one|4-Hydroxy-4-methyl-2-oxopentane|4-Hydroxy-4-methyl-2-pentanone|4-Hydroxy-4-methyl-pentan-2-on|4-Hydroxy-4-methylpentan-2-on|4-Hydroxy-4-methylpentan-2-one|4-hydroxy-4-methylpentane-2-one|4-Hydroxy-4-methylpentanone-2|4-Idrossi-4-metil-pentan-2-one|4-Methyl-4-hydroxy-2-pentanone|Acetonyldimethylcarbinol|BRN 1740440|Caswell No. 280|Diacetonalcohol|Diacetonalcool|DIACETONALKOHOL|Diacetone|Diacetone-alcool|Diacetonyl alcohol|Diketone alcohol|Dimethyl acetonyl carbinol|EINECS 204-626-7|EPA Pesticide Chemical Code 033901|NSC 9005|PENTAN-2-ONE, 4-HYDROXY-4-METHYL-|Pyranton|Pyranton A|Tyranton|UN 1148|UNII-Q7WP157PTD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024917 https://doi.org/10.22427/NTP-DATA-DTXSID6024917
ERPathway2016 ERPathway2016_1236 Diacetone alcohol 123-42-2 DTXSID6024917 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)CC(C)(C)O Diacetone alcohol 123-42-2|Diacetone alcohol|2-Hydroxy-2-methyl-4-pentanone|2-Methyl-2-pentanol-4-one|2-Methyl-4-oxo-2-pentanol|2-Pentanone, 4-hydroxy-4-methyl|2-Pentanone, 4-hydroxy-4-methyl-|4-01-00-04023|4-hidroxi-4-metilpentan-2-ona|4-Hydroxy-2-keto-4-methylpentane|4-Hydroxy-4-methyl pentan-2-one|4-Hydroxy-4-methyl-2-oxopentane|4-Hydroxy-4-methyl-2-pentanone|4-Hydroxy-4-methyl-pentan-2-on|4-Hydroxy-4-methylpentan-2-on|4-Hydroxy-4-methylpentan-2-one|4-hydroxy-4-methylpentane-2-one|4-Hydroxy-4-methylpentanone-2|4-Idrossi-4-metil-pentan-2-one|4-Methyl-4-hydroxy-2-pentanone|Acetonyldimethylcarbinol|BRN 1740440|Caswell No. 280|Diacetonalcohol|Diacetonalcool|DIACETONALKOHOL|Diacetone|Diacetone-alcool|Diacetonyl alcohol|Diketone alcohol|Dimethyl acetonyl carbinol|EINECS 204-626-7|EPA Pesticide Chemical Code 033901|NSC 9005|PENTAN-2-ONE, 4-HYDROXY-4-METHYL-|Pyranton|Pyranton A|Tyranton|UN 1148|UNII-Q7WP157PTD https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024917 https://doi.org/10.22427/NTP-DATA-DTXSID6024917
ARPathway2016 ARPathway2016_51 Diallyl phthalate 131-17-9 DTXSID7020392 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 20.1156502836581 uM C=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C Diallyl phthalate 131-17-9|Diallyl phthalate|1,2-Benzenedicarboxylic acid di-2-propenyl ester|1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester|1,2-Benzenedicarboxylic acid, di-2-propenyl ester|4-09-00-03188|Allyl phthalate|BRN 1880877|Daiso DAP monomer|DAP Monomer|Dap Tohto DT 170|Dapon R|Di-2-propenyl 1,2-benzenedicarboxylate|Diallylester kyseliny ftalove|Diallylphthalat|EINECS 205-016-3|ftalato de dialilo|NCI-C50657|NSC 7667|o-Phthalic acid, diallyl ester|Phtalate de diallyle|PHTHALATE, DIALLYL|Phthalic acid, diallyl ester|PHTHALSAEURE-DIALLYLESTER|UNII-F79L0UL6ST|124743-27-7|143318-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020392 https://doi.org/10.22427/NTP-DATA-DTXSID7020392
ARPathway2016 ARPathway2016_51 Diallyl phthalate 131-17-9 DTXSID7020392 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 15.0144747859432 uM C=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C Diallyl phthalate 131-17-9|Diallyl phthalate|1,2-Benzenedicarboxylic acid di-2-propenyl ester|1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester|1,2-Benzenedicarboxylic acid, di-2-propenyl ester|4-09-00-03188|Allyl phthalate|BRN 1880877|Daiso DAP monomer|DAP Monomer|Dap Tohto DT 170|Dapon R|Di-2-propenyl 1,2-benzenedicarboxylate|Diallylester kyseliny ftalove|Diallylphthalat|EINECS 205-016-3|ftalato de dialilo|NCI-C50657|NSC 7667|o-Phthalic acid, diallyl ester|Phtalate de diallyle|PHTHALATE, DIALLYL|Phthalic acid, diallyl ester|PHTHALSAEURE-DIALLYLESTER|UNII-F79L0UL6ST|124743-27-7|143318-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020392 https://doi.org/10.22427/NTP-DATA-DTXSID7020392
ARPathway2016 ARPathway2016_51 Diallyl phthalate 131-17-9 DTXSID7020392 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0857 Unitless C=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C Diallyl phthalate 131-17-9|Diallyl phthalate|1,2-Benzenedicarboxylic acid di-2-propenyl ester|1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester|1,2-Benzenedicarboxylic acid, di-2-propenyl ester|4-09-00-03188|Allyl phthalate|BRN 1880877|Daiso DAP monomer|DAP Monomer|Dap Tohto DT 170|Dapon R|Di-2-propenyl 1,2-benzenedicarboxylate|Diallylester kyseliny ftalove|Diallylphthalat|EINECS 205-016-3|ftalato de dialilo|NCI-C50657|NSC 7667|o-Phthalic acid, diallyl ester|Phtalate de diallyle|PHTHALATE, DIALLYL|Phthalic acid, diallyl ester|PHTHALSAEURE-DIALLYLESTER|UNII-F79L0UL6ST|124743-27-7|143318-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020392 https://doi.org/10.22427/NTP-DATA-DTXSID7020392
ARPathway2016 ARPathway2016_51 Diallyl phthalate 131-17-9 DTXSID7020392 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless C=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C Diallyl phthalate 131-17-9|Diallyl phthalate|1,2-Benzenedicarboxylic acid di-2-propenyl ester|1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester|1,2-Benzenedicarboxylic acid, di-2-propenyl ester|4-09-00-03188|Allyl phthalate|BRN 1880877|Daiso DAP monomer|DAP Monomer|Dap Tohto DT 170|Dapon R|Di-2-propenyl 1,2-benzenedicarboxylate|Diallylester kyseliny ftalove|Diallylphthalat|EINECS 205-016-3|ftalato de dialilo|NCI-C50657|NSC 7667|o-Phthalic acid, diallyl ester|Phtalate de diallyle|PHTHALATE, DIALLYL|Phthalic acid, diallyl ester|PHTHALSAEURE-DIALLYLESTER|UNII-F79L0UL6ST|124743-27-7|143318-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020392 https://doi.org/10.22427/NTP-DATA-DTXSID7020392
ARPathway2016 ARPathway2016_51 Diallyl phthalate 131-17-9 DTXSID7020392 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless C=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C Diallyl phthalate 131-17-9|Diallyl phthalate|1,2-Benzenedicarboxylic acid di-2-propenyl ester|1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester|1,2-Benzenedicarboxylic acid, di-2-propenyl ester|4-09-00-03188|Allyl phthalate|BRN 1880877|Daiso DAP monomer|DAP Monomer|Dap Tohto DT 170|Dapon R|Di-2-propenyl 1,2-benzenedicarboxylate|Diallylester kyseliny ftalove|Diallylphthalat|EINECS 205-016-3|ftalato de dialilo|NCI-C50657|NSC 7667|o-Phthalic acid, diallyl ester|Phtalate de diallyle|PHTHALATE, DIALLYL|Phthalic acid, diallyl ester|PHTHALSAEURE-DIALLYLESTER|UNII-F79L0UL6ST|124743-27-7|143318-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020392 https://doi.org/10.22427/NTP-DATA-DTXSID7020392
ARPathway2016 ARPathway2016_51 Diallyl phthalate 131-17-9 DTXSID7020392 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless C=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C Diallyl phthalate 131-17-9|Diallyl phthalate|1,2-Benzenedicarboxylic acid di-2-propenyl ester|1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester|1,2-Benzenedicarboxylic acid, di-2-propenyl ester|4-09-00-03188|Allyl phthalate|BRN 1880877|Daiso DAP monomer|DAP Monomer|Dap Tohto DT 170|Dapon R|Di-2-propenyl 1,2-benzenedicarboxylate|Diallylester kyseliny ftalove|Diallylphthalat|EINECS 205-016-3|ftalato de dialilo|NCI-C50657|NSC 7667|o-Phthalic acid, diallyl ester|Phtalate de diallyle|PHTHALATE, DIALLYL|Phthalic acid, diallyl ester|PHTHALSAEURE-DIALLYLESTER|UNII-F79L0UL6ST|124743-27-7|143318-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020392 https://doi.org/10.22427/NTP-DATA-DTXSID7020392
ERPathway2016 ERPathway2016_368 Diallyl phthalate 131-17-9 DTXSID7020392 ER Pathway Model, Antagonist AC50 62.7310429597373 uM C=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C Diallyl phthalate 131-17-9|Diallyl phthalate|1,2-Benzenedicarboxylic acid di-2-propenyl ester|1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester|1,2-Benzenedicarboxylic acid, di-2-propenyl ester|4-09-00-03188|Allyl phthalate|BRN 1880877|Daiso DAP monomer|DAP Monomer|Dap Tohto DT 170|Dapon R|Di-2-propenyl 1,2-benzenedicarboxylate|Diallylester kyseliny ftalove|Diallylphthalat|EINECS 205-016-3|ftalato de dialilo|NCI-C50657|NSC 7667|o-Phthalic acid, diallyl ester|Phtalate de diallyle|PHTHALATE, DIALLYL|Phthalic acid, diallyl ester|PHTHALSAEURE-DIALLYLESTER|UNII-F79L0UL6ST|124743-27-7|143318-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020392 https://doi.org/10.22427/NTP-DATA-DTXSID7020392
ERPathway2016 ERPathway2016_368 Diallyl phthalate 131-17-9 DTXSID7020392 ER Pathway Model, Antagonist ACC 67.3727540491234 uM C=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C Diallyl phthalate 131-17-9|Diallyl phthalate|1,2-Benzenedicarboxylic acid di-2-propenyl ester|1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester|1,2-Benzenedicarboxylic acid, di-2-propenyl ester|4-09-00-03188|Allyl phthalate|BRN 1880877|Daiso DAP monomer|DAP Monomer|Dap Tohto DT 170|Dapon R|Di-2-propenyl 1,2-benzenedicarboxylate|Diallylester kyseliny ftalove|Diallylphthalat|EINECS 205-016-3|ftalato de dialilo|NCI-C50657|NSC 7667|o-Phthalic acid, diallyl ester|Phtalate de diallyle|PHTHALATE, DIALLYL|Phthalic acid, diallyl ester|PHTHALSAEURE-DIALLYLESTER|UNII-F79L0UL6ST|124743-27-7|143318-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020392 https://doi.org/10.22427/NTP-DATA-DTXSID7020392
ERPathway2016 ERPathway2016_368 Diallyl phthalate 131-17-9 DTXSID7020392 ER Pathway Model, Agonist Model Score 0.014 Unitless C=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C Diallyl phthalate 131-17-9|Diallyl phthalate|1,2-Benzenedicarboxylic acid di-2-propenyl ester|1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester|1,2-Benzenedicarboxylic acid, di-2-propenyl ester|4-09-00-03188|Allyl phthalate|BRN 1880877|Daiso DAP monomer|DAP Monomer|Dap Tohto DT 170|Dapon R|Di-2-propenyl 1,2-benzenedicarboxylate|Diallylester kyseliny ftalove|Diallylphthalat|EINECS 205-016-3|ftalato de dialilo|NCI-C50657|NSC 7667|o-Phthalic acid, diallyl ester|Phtalate de diallyle|PHTHALATE, DIALLYL|Phthalic acid, diallyl ester|PHTHALSAEURE-DIALLYLESTER|UNII-F79L0UL6ST|124743-27-7|143318-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020392 https://doi.org/10.22427/NTP-DATA-DTXSID7020392
ERPathway2016 ERPathway2016_368 Diallyl phthalate 131-17-9 DTXSID7020392 ER Pathway Model, Antagonist Model Score 0.00157 Unitless C=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C Diallyl phthalate 131-17-9|Diallyl phthalate|1,2-Benzenedicarboxylic acid di-2-propenyl ester|1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester|1,2-Benzenedicarboxylic acid, di-2-propenyl ester|4-09-00-03188|Allyl phthalate|BRN 1880877|Daiso DAP monomer|DAP Monomer|Dap Tohto DT 170|Dapon R|Di-2-propenyl 1,2-benzenedicarboxylate|Diallylester kyseliny ftalove|Diallylphthalat|EINECS 205-016-3|ftalato de dialilo|NCI-C50657|NSC 7667|o-Phthalic acid, diallyl ester|Phtalate de diallyle|PHTHALATE, DIALLYL|Phthalic acid, diallyl ester|PHTHALSAEURE-DIALLYLESTER|UNII-F79L0UL6ST|124743-27-7|143318-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020392 https://doi.org/10.22427/NTP-DATA-DTXSID7020392
ERPathway2016 ERPathway2016_368 Diallyl phthalate 131-17-9 DTXSID7020392 ER Pathway Model, Agonist Call Inactive Unitless C=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C Diallyl phthalate 131-17-9|Diallyl phthalate|1,2-Benzenedicarboxylic acid di-2-propenyl ester|1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester|1,2-Benzenedicarboxylic acid, di-2-propenyl ester|4-09-00-03188|Allyl phthalate|BRN 1880877|Daiso DAP monomer|DAP Monomer|Dap Tohto DT 170|Dapon R|Di-2-propenyl 1,2-benzenedicarboxylate|Diallylester kyseliny ftalove|Diallylphthalat|EINECS 205-016-3|ftalato de dialilo|NCI-C50657|NSC 7667|o-Phthalic acid, diallyl ester|Phtalate de diallyle|PHTHALATE, DIALLYL|Phthalic acid, diallyl ester|PHTHALSAEURE-DIALLYLESTER|UNII-F79L0UL6ST|124743-27-7|143318-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020392 https://doi.org/10.22427/NTP-DATA-DTXSID7020392
ERPathway2016 ERPathway2016_368 Diallyl phthalate 131-17-9 DTXSID7020392 ER Pathway Model, Antagonist Call Active Unitless C=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C Diallyl phthalate 131-17-9|Diallyl phthalate|1,2-Benzenedicarboxylic acid di-2-propenyl ester|1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester|1,2-Benzenedicarboxylic acid, di-2-propenyl ester|4-09-00-03188|Allyl phthalate|BRN 1880877|Daiso DAP monomer|DAP Monomer|Dap Tohto DT 170|Dapon R|Di-2-propenyl 1,2-benzenedicarboxylate|Diallylester kyseliny ftalove|Diallylphthalat|EINECS 205-016-3|ftalato de dialilo|NCI-C50657|NSC 7667|o-Phthalic acid, diallyl ester|Phtalate de diallyle|PHTHALATE, DIALLYL|Phthalic acid, diallyl ester|PHTHALSAEURE-DIALLYLESTER|UNII-F79L0UL6ST|124743-27-7|143318-73-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020392 https://doi.org/10.22427/NTP-DATA-DTXSID7020392
ARPathway2016 ARPathway2016_1522 Diallyldimethylammonium chloride 7398-69-8 DTXSID4027650 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Cl-].C[N+](C)(CC=C)CC=C Diallyldimethylammonium chloride 7398-69-8|Diallyldimethylammonium chloride|2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride (1:1)|2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride|Ammonium, diallyldimethyl-, chloride|C 1615M-BR 30|DADMAC|Dimethyldiallylammonium chloride|EINECS 230-993-8|Flocryl 4007Q|Hercules D 1259|LYFM 205-65|N,N-Diallyl-N,N-dimethylammonium chloride|N,N-Dimethyl-N-2-propenyl-2-propen-1-aminium chloride|Nalco 7544|NSC 59284|UNII-8MC08B895B|104814-50-8|118338-80-0|135976-69-1|144306-62-7|147025-96-5|149611-39-2|175716-65-1|192799-01-2|2379671-23-3|26189-16-2|54398-19-5|58829-43-9|76484-84-9|88353-41-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027650
ARPathway2016 ARPathway2016_1522 Diallyldimethylammonium chloride 7398-69-8 DTXSID4027650 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Cl-].C[N+](C)(CC=C)CC=C Diallyldimethylammonium chloride 7398-69-8|Diallyldimethylammonium chloride|2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride (1:1)|2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride|Ammonium, diallyldimethyl-, chloride|C 1615M-BR 30|DADMAC|Dimethyldiallylammonium chloride|EINECS 230-993-8|Flocryl 4007Q|Hercules D 1259|LYFM 205-65|N,N-Diallyl-N,N-dimethylammonium chloride|N,N-Dimethyl-N-2-propenyl-2-propen-1-aminium chloride|Nalco 7544|NSC 59284|UNII-8MC08B895B|104814-50-8|118338-80-0|135976-69-1|144306-62-7|147025-96-5|149611-39-2|175716-65-1|192799-01-2|2379671-23-3|26189-16-2|54398-19-5|58829-43-9|76484-84-9|88353-41-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027650
ARPathway2016 ARPathway2016_1522 Diallyldimethylammonium chloride 7398-69-8 DTXSID4027650 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Cl-].C[N+](C)(CC=C)CC=C Diallyldimethylammonium chloride 7398-69-8|Diallyldimethylammonium chloride|2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride (1:1)|2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride|Ammonium, diallyldimethyl-, chloride|C 1615M-BR 30|DADMAC|Dimethyldiallylammonium chloride|EINECS 230-993-8|Flocryl 4007Q|Hercules D 1259|LYFM 205-65|N,N-Diallyl-N,N-dimethylammonium chloride|N,N-Dimethyl-N-2-propenyl-2-propen-1-aminium chloride|Nalco 7544|NSC 59284|UNII-8MC08B895B|104814-50-8|118338-80-0|135976-69-1|144306-62-7|147025-96-5|149611-39-2|175716-65-1|192799-01-2|2379671-23-3|26189-16-2|54398-19-5|58829-43-9|76484-84-9|88353-41-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027650
ARPathway2016 ARPathway2016_1522 Diallyldimethylammonium chloride 7398-69-8 DTXSID4027650 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].C[N+](C)(CC=C)CC=C Diallyldimethylammonium chloride 7398-69-8|Diallyldimethylammonium chloride|2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride (1:1)|2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride|Ammonium, diallyldimethyl-, chloride|C 1615M-BR 30|DADMAC|Dimethyldiallylammonium chloride|EINECS 230-993-8|Flocryl 4007Q|Hercules D 1259|LYFM 205-65|N,N-Diallyl-N,N-dimethylammonium chloride|N,N-Dimethyl-N-2-propenyl-2-propen-1-aminium chloride|Nalco 7544|NSC 59284|UNII-8MC08B895B|104814-50-8|118338-80-0|135976-69-1|144306-62-7|147025-96-5|149611-39-2|175716-65-1|192799-01-2|2379671-23-3|26189-16-2|54398-19-5|58829-43-9|76484-84-9|88353-41-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027650
ERPathway2016 ERPathway2016_1632 Diallyldimethylammonium chloride 7398-69-8 DTXSID4027650 ER Pathway Model, Agonist Model Score 0 Unitless [Cl-].C[N+](C)(CC=C)CC=C Diallyldimethylammonium chloride 7398-69-8|Diallyldimethylammonium chloride|2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride (1:1)|2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride|Ammonium, diallyldimethyl-, chloride|C 1615M-BR 30|DADMAC|Dimethyldiallylammonium chloride|EINECS 230-993-8|Flocryl 4007Q|Hercules D 1259|LYFM 205-65|N,N-Diallyl-N,N-dimethylammonium chloride|N,N-Dimethyl-N-2-propenyl-2-propen-1-aminium chloride|Nalco 7544|NSC 59284|UNII-8MC08B895B|104814-50-8|118338-80-0|135976-69-1|144306-62-7|147025-96-5|149611-39-2|175716-65-1|192799-01-2|2379671-23-3|26189-16-2|54398-19-5|58829-43-9|76484-84-9|88353-41-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027650
ERPathway2016 ERPathway2016_1632 Diallyldimethylammonium chloride 7398-69-8 DTXSID4027650 ER Pathway Model, Antagonist Model Score 0 Unitless [Cl-].C[N+](C)(CC=C)CC=C Diallyldimethylammonium chloride 7398-69-8|Diallyldimethylammonium chloride|2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride (1:1)|2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride|Ammonium, diallyldimethyl-, chloride|C 1615M-BR 30|DADMAC|Dimethyldiallylammonium chloride|EINECS 230-993-8|Flocryl 4007Q|Hercules D 1259|LYFM 205-65|N,N-Diallyl-N,N-dimethylammonium chloride|N,N-Dimethyl-N-2-propenyl-2-propen-1-aminium chloride|Nalco 7544|NSC 59284|UNII-8MC08B895B|104814-50-8|118338-80-0|135976-69-1|144306-62-7|147025-96-5|149611-39-2|175716-65-1|192799-01-2|2379671-23-3|26189-16-2|54398-19-5|58829-43-9|76484-84-9|88353-41-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027650
ERPathway2016 ERPathway2016_1632 Diallyldimethylammonium chloride 7398-69-8 DTXSID4027650 ER Pathway Model, Agonist Call Inactive Unitless [Cl-].C[N+](C)(CC=C)CC=C Diallyldimethylammonium chloride 7398-69-8|Diallyldimethylammonium chloride|2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride (1:1)|2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride|Ammonium, diallyldimethyl-, chloride|C 1615M-BR 30|DADMAC|Dimethyldiallylammonium chloride|EINECS 230-993-8|Flocryl 4007Q|Hercules D 1259|LYFM 205-65|N,N-Diallyl-N,N-dimethylammonium chloride|N,N-Dimethyl-N-2-propenyl-2-propen-1-aminium chloride|Nalco 7544|NSC 59284|UNII-8MC08B895B|104814-50-8|118338-80-0|135976-69-1|144306-62-7|147025-96-5|149611-39-2|175716-65-1|192799-01-2|2379671-23-3|26189-16-2|54398-19-5|58829-43-9|76484-84-9|88353-41-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027650
ERPathway2016 ERPathway2016_1632 Diallyldimethylammonium chloride 7398-69-8 DTXSID4027650 ER Pathway Model, Antagonist Call Inactive Unitless [Cl-].C[N+](C)(CC=C)CC=C Diallyldimethylammonium chloride 7398-69-8|Diallyldimethylammonium chloride|2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride (1:1)|2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride|Ammonium, diallyldimethyl-, chloride|C 1615M-BR 30|DADMAC|Dimethyldiallylammonium chloride|EINECS 230-993-8|Flocryl 4007Q|Hercules D 1259|LYFM 205-65|N,N-Diallyl-N,N-dimethylammonium chloride|N,N-Dimethyl-N-2-propenyl-2-propen-1-aminium chloride|Nalco 7544|NSC 59284|UNII-8MC08B895B|104814-50-8|118338-80-0|135976-69-1|144306-62-7|147025-96-5|149611-39-2|175716-65-1|192799-01-2|2379671-23-3|26189-16-2|54398-19-5|58829-43-9|76484-84-9|88353-41-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027650
ARPathway2016 ARPathway2016_1149 Diazinon 333-41-5 DTXSID9020407 1.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C Diazinon 333-41-5|Diazinon|4-Pyrimidinol, 2-isopropyl-6-methyl-, O-ester with O,O-diethyl phosphorothioate|5-23-11-00187|Antigal|Bassadinon|Basudin|Basudin 10 G|Basudin 10G|Basudin S|Bazanon|Bazuden|BRN 0273790|Caswell No. 342|Ciazinon|Compass|Cooper's Flystrike Powder|Dacutox|Dassitox|Delzinon|Diazajet|Diazide|Diazinon 4E|Diazinon AG 500|Diazinon G|Diazinone|Diazitol|Diethyl 2-isopropyl-4-methyl-6-pyrimidinyl phosphorothionate|Diethyl 2-isopropyl-4-methyl-6-pyrimidyl thionophosphate|Diethyl 4-(2-isopropyl-6-methylpyrimidinyl)phosphorothionate|Dimpilato|Dimpylat|Dimpylate|Dimpylatum|Disonex|Dizictol|Dizinil|Dizinon|Drawizon|EINECS 206-373-8|Ektoband|EPA Pesticide Chemical Code 057801|Flytrol|Galesan|Garden Tox|Geigy 24480|Hi-Yield Imported Fire Ant Killer|Isopropylmethylpyrimidyl diethyl thiophosphate|Kayazinon|Kayazol|KFM Blowfly Dressing|Kleen-Dok|Knox Out 2FM|Knox Out Yellow Jacket Contorl|Knox-out|Meodinon|Monothiophosphoric acid O,O-diethyl-O-(2-isopropyl-4-methyl-6-pyrimidyl) ester|NCI-C08673|Nedcidol|Neodinon|NSC 8938|Nucidol|O-|27936-40-9|30583-38-1|65863-03-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020407 https://doi.org/10.22427/NTP-DATA-DTXSID9020407
ARPathway2016 ARPathway2016_1149 Diazinon 333-41-5 DTXSID9020407 1.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C Diazinon 333-41-5|Diazinon|4-Pyrimidinol, 2-isopropyl-6-methyl-, O-ester with O,O-diethyl phosphorothioate|5-23-11-00187|Antigal|Bassadinon|Basudin|Basudin 10 G|Basudin 10G|Basudin S|Bazanon|Bazuden|BRN 0273790|Caswell No. 342|Ciazinon|Compass|Cooper's Flystrike Powder|Dacutox|Dassitox|Delzinon|Diazajet|Diazide|Diazinon 4E|Diazinon AG 500|Diazinon G|Diazinone|Diazitol|Diethyl 2-isopropyl-4-methyl-6-pyrimidinyl phosphorothionate|Diethyl 2-isopropyl-4-methyl-6-pyrimidyl thionophosphate|Diethyl 4-(2-isopropyl-6-methylpyrimidinyl)phosphorothionate|Dimpilato|Dimpylat|Dimpylate|Dimpylatum|Disonex|Dizictol|Dizinil|Dizinon|Drawizon|EINECS 206-373-8|Ektoband|EPA Pesticide Chemical Code 057801|Flytrol|Galesan|Garden Tox|Geigy 24480|Hi-Yield Imported Fire Ant Killer|Isopropylmethylpyrimidyl diethyl thiophosphate|Kayazinon|Kayazol|KFM Blowfly Dressing|Kleen-Dok|Knox Out 2FM|Knox Out Yellow Jacket Contorl|Knox-out|Meodinon|Monothiophosphoric acid O,O-diethyl-O-(2-isopropyl-4-methyl-6-pyrimidyl) ester|NCI-C08673|Nedcidol|Neodinon|NSC 8938|Nucidol|O-|27936-40-9|30583-38-1|65863-03-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020407 https://doi.org/10.22427/NTP-DATA-DTXSID9020407
ARPathway2016 ARPathway2016_1149 Diazinon 333-41-5 DTXSID9020407 1.0 AR Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C Diazinon 333-41-5|Diazinon|4-Pyrimidinol, 2-isopropyl-6-methyl-, O-ester with O,O-diethyl phosphorothioate|5-23-11-00187|Antigal|Bassadinon|Basudin|Basudin 10 G|Basudin 10G|Basudin S|Bazanon|Bazuden|BRN 0273790|Caswell No. 342|Ciazinon|Compass|Cooper's Flystrike Powder|Dacutox|Dassitox|Delzinon|Diazajet|Diazide|Diazinon 4E|Diazinon AG 500|Diazinon G|Diazinone|Diazitol|Diethyl 2-isopropyl-4-methyl-6-pyrimidinyl phosphorothionate|Diethyl 2-isopropyl-4-methyl-6-pyrimidyl thionophosphate|Diethyl 4-(2-isopropyl-6-methylpyrimidinyl)phosphorothionate|Dimpilato|Dimpylat|Dimpylate|Dimpylatum|Disonex|Dizictol|Dizinil|Dizinon|Drawizon|EINECS 206-373-8|Ektoband|EPA Pesticide Chemical Code 057801|Flytrol|Galesan|Garden Tox|Geigy 24480|Hi-Yield Imported Fire Ant Killer|Isopropylmethylpyrimidyl diethyl thiophosphate|Kayazinon|Kayazol|KFM Blowfly Dressing|Kleen-Dok|Knox Out 2FM|Knox Out Yellow Jacket Contorl|Knox-out|Meodinon|Monothiophosphoric acid O,O-diethyl-O-(2-isopropyl-4-methyl-6-pyrimidyl) ester|NCI-C08673|Nedcidol|Neodinon|NSC 8938|Nucidol|O-|27936-40-9|30583-38-1|65863-03-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020407 https://doi.org/10.22427/NTP-DATA-DTXSID9020407
ARPathway2016 ARPathway2016_1149 Diazinon 333-41-5 DTXSID9020407 1.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C Diazinon 333-41-5|Diazinon|4-Pyrimidinol, 2-isopropyl-6-methyl-, O-ester with O,O-diethyl phosphorothioate|5-23-11-00187|Antigal|Bassadinon|Basudin|Basudin 10 G|Basudin 10G|Basudin S|Bazanon|Bazuden|BRN 0273790|Caswell No. 342|Ciazinon|Compass|Cooper's Flystrike Powder|Dacutox|Dassitox|Delzinon|Diazajet|Diazide|Diazinon 4E|Diazinon AG 500|Diazinon G|Diazinone|Diazitol|Diethyl 2-isopropyl-4-methyl-6-pyrimidinyl phosphorothionate|Diethyl 2-isopropyl-4-methyl-6-pyrimidyl thionophosphate|Diethyl 4-(2-isopropyl-6-methylpyrimidinyl)phosphorothionate|Dimpilato|Dimpylat|Dimpylate|Dimpylatum|Disonex|Dizictol|Dizinil|Dizinon|Drawizon|EINECS 206-373-8|Ektoband|EPA Pesticide Chemical Code 057801|Flytrol|Galesan|Garden Tox|Geigy 24480|Hi-Yield Imported Fire Ant Killer|Isopropylmethylpyrimidyl diethyl thiophosphate|Kayazinon|Kayazol|KFM Blowfly Dressing|Kleen-Dok|Knox Out 2FM|Knox Out Yellow Jacket Contorl|Knox-out|Meodinon|Monothiophosphoric acid O,O-diethyl-O-(2-isopropyl-4-methyl-6-pyrimidyl) ester|NCI-C08673|Nedcidol|Neodinon|NSC 8938|Nucidol|O-|27936-40-9|30583-38-1|65863-03-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020407 https://doi.org/10.22427/NTP-DATA-DTXSID9020407
ERPathway2016 ERPathway2016_326 Diazinon 333-41-5 DTXSID9020407 R6 ER Pathway Model, Antagonist AC50 23.5421451383189 uM CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C Diazinon 333-41-5|Diazinon|4-Pyrimidinol, 2-isopropyl-6-methyl-, O-ester with O,O-diethyl phosphorothioate|5-23-11-00187|Antigal|Bassadinon|Basudin|Basudin 10 G|Basudin 10G|Basudin S|Bazanon|Bazuden|BRN 0273790|Caswell No. 342|Ciazinon|Compass|Cooper's Flystrike Powder|Dacutox|Dassitox|Delzinon|Diazajet|Diazide|Diazinon 4E|Diazinon AG 500|Diazinon G|Diazinone|Diazitol|Diethyl 2-isopropyl-4-methyl-6-pyrimidinyl phosphorothionate|Diethyl 2-isopropyl-4-methyl-6-pyrimidyl thionophosphate|Diethyl 4-(2-isopropyl-6-methylpyrimidinyl)phosphorothionate|Dimpilato|Dimpylat|Dimpylate|Dimpylatum|Disonex|Dizictol|Dizinil|Dizinon|Drawizon|EINECS 206-373-8|Ektoband|EPA Pesticide Chemical Code 057801|Flytrol|Galesan|Garden Tox|Geigy 24480|Hi-Yield Imported Fire Ant Killer|Isopropylmethylpyrimidyl diethyl thiophosphate|Kayazinon|Kayazol|KFM Blowfly Dressing|Kleen-Dok|Knox Out 2FM|Knox Out Yellow Jacket Contorl|Knox-out|Meodinon|Monothiophosphoric acid O,O-diethyl-O-(2-isopropyl-4-methyl-6-pyrimidyl) ester|NCI-C08673|Nedcidol|Neodinon|NSC 8938|Nucidol|O-|27936-40-9|30583-38-1|65863-03-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020407 https://doi.org/10.22427/NTP-DATA-DTXSID9020407
ERPathway2016 ERPathway2016_326 Diazinon 333-41-5 DTXSID9020407 R6 ER Pathway Model, Antagonist ACC 13.3915884768928 uM CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C Diazinon 333-41-5|Diazinon|4-Pyrimidinol, 2-isopropyl-6-methyl-, O-ester with O,O-diethyl phosphorothioate|5-23-11-00187|Antigal|Bassadinon|Basudin|Basudin 10 G|Basudin 10G|Basudin S|Bazanon|Bazuden|BRN 0273790|Caswell No. 342|Ciazinon|Compass|Cooper's Flystrike Powder|Dacutox|Dassitox|Delzinon|Diazajet|Diazide|Diazinon 4E|Diazinon AG 500|Diazinon G|Diazinone|Diazitol|Diethyl 2-isopropyl-4-methyl-6-pyrimidinyl phosphorothionate|Diethyl 2-isopropyl-4-methyl-6-pyrimidyl thionophosphate|Diethyl 4-(2-isopropyl-6-methylpyrimidinyl)phosphorothionate|Dimpilato|Dimpylat|Dimpylate|Dimpylatum|Disonex|Dizictol|Dizinil|Dizinon|Drawizon|EINECS 206-373-8|Ektoband|EPA Pesticide Chemical Code 057801|Flytrol|Galesan|Garden Tox|Geigy 24480|Hi-Yield Imported Fire Ant Killer|Isopropylmethylpyrimidyl diethyl thiophosphate|Kayazinon|Kayazol|KFM Blowfly Dressing|Kleen-Dok|Knox Out 2FM|Knox Out Yellow Jacket Contorl|Knox-out|Meodinon|Monothiophosphoric acid O,O-diethyl-O-(2-isopropyl-4-methyl-6-pyrimidyl) ester|NCI-C08673|Nedcidol|Neodinon|NSC 8938|Nucidol|O-|27936-40-9|30583-38-1|65863-03-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020407 https://doi.org/10.22427/NTP-DATA-DTXSID9020407
ERPathway2016 ERPathway2016_326 Diazinon 333-41-5 DTXSID9020407 R6 ER Pathway Model, Agonist Model Score 0.0237 Unitless CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C Diazinon 333-41-5|Diazinon|4-Pyrimidinol, 2-isopropyl-6-methyl-, O-ester with O,O-diethyl phosphorothioate|5-23-11-00187|Antigal|Bassadinon|Basudin|Basudin 10 G|Basudin 10G|Basudin S|Bazanon|Bazuden|BRN 0273790|Caswell No. 342|Ciazinon|Compass|Cooper's Flystrike Powder|Dacutox|Dassitox|Delzinon|Diazajet|Diazide|Diazinon 4E|Diazinon AG 500|Diazinon G|Diazinone|Diazitol|Diethyl 2-isopropyl-4-methyl-6-pyrimidinyl phosphorothionate|Diethyl 2-isopropyl-4-methyl-6-pyrimidyl thionophosphate|Diethyl 4-(2-isopropyl-6-methylpyrimidinyl)phosphorothionate|Dimpilato|Dimpylat|Dimpylate|Dimpylatum|Disonex|Dizictol|Dizinil|Dizinon|Drawizon|EINECS 206-373-8|Ektoband|EPA Pesticide Chemical Code 057801|Flytrol|Galesan|Garden Tox|Geigy 24480|Hi-Yield Imported Fire Ant Killer|Isopropylmethylpyrimidyl diethyl thiophosphate|Kayazinon|Kayazol|KFM Blowfly Dressing|Kleen-Dok|Knox Out 2FM|Knox Out Yellow Jacket Contorl|Knox-out|Meodinon|Monothiophosphoric acid O,O-diethyl-O-(2-isopropyl-4-methyl-6-pyrimidyl) ester|NCI-C08673|Nedcidol|Neodinon|NSC 8938|Nucidol|O-|27936-40-9|30583-38-1|65863-03-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020407 https://doi.org/10.22427/NTP-DATA-DTXSID9020407
ERPathway2016 ERPathway2016_326 Diazinon 333-41-5 DTXSID9020407 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C Diazinon 333-41-5|Diazinon|4-Pyrimidinol, 2-isopropyl-6-methyl-, O-ester with O,O-diethyl phosphorothioate|5-23-11-00187|Antigal|Bassadinon|Basudin|Basudin 10 G|Basudin 10G|Basudin S|Bazanon|Bazuden|BRN 0273790|Caswell No. 342|Ciazinon|Compass|Cooper's Flystrike Powder|Dacutox|Dassitox|Delzinon|Diazajet|Diazide|Diazinon 4E|Diazinon AG 500|Diazinon G|Diazinone|Diazitol|Diethyl 2-isopropyl-4-methyl-6-pyrimidinyl phosphorothionate|Diethyl 2-isopropyl-4-methyl-6-pyrimidyl thionophosphate|Diethyl 4-(2-isopropyl-6-methylpyrimidinyl)phosphorothionate|Dimpilato|Dimpylat|Dimpylate|Dimpylatum|Disonex|Dizictol|Dizinil|Dizinon|Drawizon|EINECS 206-373-8|Ektoband|EPA Pesticide Chemical Code 057801|Flytrol|Galesan|Garden Tox|Geigy 24480|Hi-Yield Imported Fire Ant Killer|Isopropylmethylpyrimidyl diethyl thiophosphate|Kayazinon|Kayazol|KFM Blowfly Dressing|Kleen-Dok|Knox Out 2FM|Knox Out Yellow Jacket Contorl|Knox-out|Meodinon|Monothiophosphoric acid O,O-diethyl-O-(2-isopropyl-4-methyl-6-pyrimidyl) ester|NCI-C08673|Nedcidol|Neodinon|NSC 8938|Nucidol|O-|27936-40-9|30583-38-1|65863-03-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020407 https://doi.org/10.22427/NTP-DATA-DTXSID9020407
ERPathway2016 ERPathway2016_326 Diazinon 333-41-5 DTXSID9020407 R6 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C Diazinon 333-41-5|Diazinon|4-Pyrimidinol, 2-isopropyl-6-methyl-, O-ester with O,O-diethyl phosphorothioate|5-23-11-00187|Antigal|Bassadinon|Basudin|Basudin 10 G|Basudin 10G|Basudin S|Bazanon|Bazuden|BRN 0273790|Caswell No. 342|Ciazinon|Compass|Cooper's Flystrike Powder|Dacutox|Dassitox|Delzinon|Diazajet|Diazide|Diazinon 4E|Diazinon AG 500|Diazinon G|Diazinone|Diazitol|Diethyl 2-isopropyl-4-methyl-6-pyrimidinyl phosphorothionate|Diethyl 2-isopropyl-4-methyl-6-pyrimidyl thionophosphate|Diethyl 4-(2-isopropyl-6-methylpyrimidinyl)phosphorothionate|Dimpilato|Dimpylat|Dimpylate|Dimpylatum|Disonex|Dizictol|Dizinil|Dizinon|Drawizon|EINECS 206-373-8|Ektoband|EPA Pesticide Chemical Code 057801|Flytrol|Galesan|Garden Tox|Geigy 24480|Hi-Yield Imported Fire Ant Killer|Isopropylmethylpyrimidyl diethyl thiophosphate|Kayazinon|Kayazol|KFM Blowfly Dressing|Kleen-Dok|Knox Out 2FM|Knox Out Yellow Jacket Contorl|Knox-out|Meodinon|Monothiophosphoric acid O,O-diethyl-O-(2-isopropyl-4-methyl-6-pyrimidyl) ester|NCI-C08673|Nedcidol|Neodinon|NSC 8938|Nucidol|O-|27936-40-9|30583-38-1|65863-03-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020407 https://doi.org/10.22427/NTP-DATA-DTXSID9020407
ERPathway2016 ERPathway2016_326 Diazinon 333-41-5 DTXSID9020407 R6 ER Pathway Model, Antagonist Call Active Unitless CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C Diazinon 333-41-5|Diazinon|4-Pyrimidinol, 2-isopropyl-6-methyl-, O-ester with O,O-diethyl phosphorothioate|5-23-11-00187|Antigal|Bassadinon|Basudin|Basudin 10 G|Basudin 10G|Basudin S|Bazanon|Bazuden|BRN 0273790|Caswell No. 342|Ciazinon|Compass|Cooper's Flystrike Powder|Dacutox|Dassitox|Delzinon|Diazajet|Diazide|Diazinon 4E|Diazinon AG 500|Diazinon G|Diazinone|Diazitol|Diethyl 2-isopropyl-4-methyl-6-pyrimidinyl phosphorothionate|Diethyl 2-isopropyl-4-methyl-6-pyrimidyl thionophosphate|Diethyl 4-(2-isopropyl-6-methylpyrimidinyl)phosphorothionate|Dimpilato|Dimpylat|Dimpylate|Dimpylatum|Disonex|Dizictol|Dizinil|Dizinon|Drawizon|EINECS 206-373-8|Ektoband|EPA Pesticide Chemical Code 057801|Flytrol|Galesan|Garden Tox|Geigy 24480|Hi-Yield Imported Fire Ant Killer|Isopropylmethylpyrimidyl diethyl thiophosphate|Kayazinon|Kayazol|KFM Blowfly Dressing|Kleen-Dok|Knox Out 2FM|Knox Out Yellow Jacket Contorl|Knox-out|Meodinon|Monothiophosphoric acid O,O-diethyl-O-(2-isopropyl-4-methyl-6-pyrimidyl) ester|NCI-C08673|Nedcidol|Neodinon|NSC 8938|Nucidol|O-|27936-40-9|30583-38-1|65863-03-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020407 https://doi.org/10.22427/NTP-DATA-DTXSID9020407
ARPathway2016 ARPathway2016_385 Diazolidinyl urea 78491-02-8 DTXSID0029559 1.0 Agonist AR Pathway Model, Antagonist ACC 0.00272867851285823 uM OCNC(=O)N(CO)C1N(CO)C(=O)N(CO)C1=O Diazolidinyl urea 78491-02-8|Diazolidinyl urea|1-[1,3-bis(hidroximetil)-2,5-dioxoimidazolidin-4-il]-1,3-bis(hidroximetil)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)harnstoff|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)uree|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]-1,3-bis(hydroxymethyl)uree|Diazolidinylurea|EINECS 278-928-2|Germaben II-E|Germall II|Imidazolidinyl urea 11|N-(1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)-N,N'-bis(hydroxymethyl)urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl) urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl)urea|N-[1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)urea|UNII-H5RIZ3MPW4|UREA, DIAZOLIDINYL-|Urea, N-[1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029559
ARPathway2016 ARPathway2016_385 Diazolidinyl urea 78491-02-8 DTXSID0029559 1.0 Agonist AR Pathway Model, Antagonist AC50 0.114738155735841 uM OCNC(=O)N(CO)C1N(CO)C(=O)N(CO)C1=O Diazolidinyl urea 78491-02-8|Diazolidinyl urea|1-[1,3-bis(hidroximetil)-2,5-dioxoimidazolidin-4-il]-1,3-bis(hidroximetil)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)harnstoff|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)uree|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]-1,3-bis(hydroxymethyl)uree|Diazolidinylurea|EINECS 278-928-2|Germaben II-E|Germall II|Imidazolidinyl urea 11|N-(1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)-N,N'-bis(hydroxymethyl)urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl) urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl)urea|N-[1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)urea|UNII-H5RIZ3MPW4|UREA, DIAZOLIDINYL-|Urea, N-[1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029559
ARPathway2016 ARPathway2016_385 Diazolidinyl urea 78491-02-8 DTXSID0029559 1.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless OCNC(=O)N(CO)C1N(CO)C(=O)N(CO)C1=O Diazolidinyl urea 78491-02-8|Diazolidinyl urea|1-[1,3-bis(hidroximetil)-2,5-dioxoimidazolidin-4-il]-1,3-bis(hidroximetil)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)harnstoff|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)uree|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]-1,3-bis(hydroxymethyl)uree|Diazolidinylurea|EINECS 278-928-2|Germaben II-E|Germall II|Imidazolidinyl urea 11|N-(1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)-N,N'-bis(hydroxymethyl)urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl) urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl)urea|N-[1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)urea|UNII-H5RIZ3MPW4|UREA, DIAZOLIDINYL-|Urea, N-[1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029559
ARPathway2016 ARPathway2016_385 Diazolidinyl urea 78491-02-8 DTXSID0029559 1.0 Agonist AR Pathway Model, Agonist Model Score 0.251 Unitless OCNC(=O)N(CO)C1N(CO)C(=O)N(CO)C1=O Diazolidinyl urea 78491-02-8|Diazolidinyl urea|1-[1,3-bis(hidroximetil)-2,5-dioxoimidazolidin-4-il]-1,3-bis(hidroximetil)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)harnstoff|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)uree|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]-1,3-bis(hydroxymethyl)uree|Diazolidinylurea|EINECS 278-928-2|Germaben II-E|Germall II|Imidazolidinyl urea 11|N-(1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)-N,N'-bis(hydroxymethyl)urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl) urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl)urea|N-[1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)urea|UNII-H5RIZ3MPW4|UREA, DIAZOLIDINYL-|Urea, N-[1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029559
ARPathway2016 ARPathway2016_385 Diazolidinyl urea 78491-02-8 DTXSID0029559 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless OCNC(=O)N(CO)C1N(CO)C(=O)N(CO)C1=O Diazolidinyl urea 78491-02-8|Diazolidinyl urea|1-[1,3-bis(hidroximetil)-2,5-dioxoimidazolidin-4-il]-1,3-bis(hidroximetil)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)harnstoff|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)uree|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]-1,3-bis(hydroxymethyl)uree|Diazolidinylurea|EINECS 278-928-2|Germaben II-E|Germall II|Imidazolidinyl urea 11|N-(1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)-N,N'-bis(hydroxymethyl)urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl) urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl)urea|N-[1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)urea|UNII-H5RIZ3MPW4|UREA, DIAZOLIDINYL-|Urea, N-[1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029559
ARPathway2016 ARPathway2016_385 Diazolidinyl urea 78491-02-8 DTXSID0029559 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless OCNC(=O)N(CO)C1N(CO)C(=O)N(CO)C1=O Diazolidinyl urea 78491-02-8|Diazolidinyl urea|1-[1,3-bis(hidroximetil)-2,5-dioxoimidazolidin-4-il]-1,3-bis(hidroximetil)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)harnstoff|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)uree|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]-1,3-bis(hydroxymethyl)uree|Diazolidinylurea|EINECS 278-928-2|Germaben II-E|Germall II|Imidazolidinyl urea 11|N-(1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)-N,N'-bis(hydroxymethyl)urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl) urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl)urea|N-[1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)urea|UNII-H5RIZ3MPW4|UREA, DIAZOLIDINYL-|Urea, N-[1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029559
ERPathway2016 ERPathway2016_1662 Diazolidinyl urea 78491-02-8 DTXSID0029559 ER Pathway Model, Agonist Model Score 0 Unitless OCNC(=O)N(CO)C1N(CO)C(=O)N(CO)C1=O Diazolidinyl urea 78491-02-8|Diazolidinyl urea|1-[1,3-bis(hidroximetil)-2,5-dioxoimidazolidin-4-il]-1,3-bis(hidroximetil)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)harnstoff|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)uree|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]-1,3-bis(hydroxymethyl)uree|Diazolidinylurea|EINECS 278-928-2|Germaben II-E|Germall II|Imidazolidinyl urea 11|N-(1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)-N,N'-bis(hydroxymethyl)urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl) urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl)urea|N-[1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)urea|UNII-H5RIZ3MPW4|UREA, DIAZOLIDINYL-|Urea, N-[1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029559
ERPathway2016 ERPathway2016_1662 Diazolidinyl urea 78491-02-8 DTXSID0029559 ER Pathway Model, Antagonist Model Score 0 Unitless OCNC(=O)N(CO)C1N(CO)C(=O)N(CO)C1=O Diazolidinyl urea 78491-02-8|Diazolidinyl urea|1-[1,3-bis(hidroximetil)-2,5-dioxoimidazolidin-4-il]-1,3-bis(hidroximetil)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)harnstoff|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)uree|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]-1,3-bis(hydroxymethyl)uree|Diazolidinylurea|EINECS 278-928-2|Germaben II-E|Germall II|Imidazolidinyl urea 11|N-(1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)-N,N'-bis(hydroxymethyl)urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl) urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl)urea|N-[1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)urea|UNII-H5RIZ3MPW4|UREA, DIAZOLIDINYL-|Urea, N-[1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029559
ERPathway2016 ERPathway2016_1662 Diazolidinyl urea 78491-02-8 DTXSID0029559 ER Pathway Model, Agonist Call Inactive Unitless OCNC(=O)N(CO)C1N(CO)C(=O)N(CO)C1=O Diazolidinyl urea 78491-02-8|Diazolidinyl urea|1-[1,3-bis(hidroximetil)-2,5-dioxoimidazolidin-4-il]-1,3-bis(hidroximetil)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)harnstoff|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)uree|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]-1,3-bis(hydroxymethyl)uree|Diazolidinylurea|EINECS 278-928-2|Germaben II-E|Germall II|Imidazolidinyl urea 11|N-(1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)-N,N'-bis(hydroxymethyl)urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl) urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl)urea|N-[1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)urea|UNII-H5RIZ3MPW4|UREA, DIAZOLIDINYL-|Urea, N-[1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029559
ERPathway2016 ERPathway2016_1662 Diazolidinyl urea 78491-02-8 DTXSID0029559 ER Pathway Model, Antagonist Call Inactive Unitless OCNC(=O)N(CO)C1N(CO)C(=O)N(CO)C1=O Diazolidinyl urea 78491-02-8|Diazolidinyl urea|1-[1,3-bis(hidroximetil)-2,5-dioxoimidazolidin-4-il]-1,3-bis(hidroximetil)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)harnstoff|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea|1-[1,3-Bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)uree|1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]-1,3-bis(hydroxymethyl)uree|Diazolidinylurea|EINECS 278-928-2|Germaben II-E|Germall II|Imidazolidinyl urea 11|N-(1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)-N,N'-bis(hydroxymethyl)urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl) urea|N-(Hydroxymethyl)-N-(1,3-dihydroxymethyl-2,5-dioxo-4-imidazolidinyl)-N'-(hydroxymethyl)urea|N-[1,3-Bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)urea|UNII-H5RIZ3MPW4|UREA, DIAZOLIDINYL-|Urea, N-[1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029559
ARPathway2016 ARPathway2016_1780 Diazoxon 962-58-3 DTXSID5037523 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOP(=O)(OCC)OC1=NC(=NC(C)=C1)C(C)C Diazoxon 962-58-3|Diazoxon|Diazinon oxon|diethyl 2-isopropyl-6-methylpyrimidin-4-ylphosphate|Oxodiazinon|UNII-9FX08D2L1U https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037523
ARPathway2016 ARPathway2016_1780 Diazoxon 962-58-3 DTXSID5037523 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=O)(OCC)OC1=NC(=NC(C)=C1)C(C)C Diazoxon 962-58-3|Diazoxon|Diazinon oxon|diethyl 2-isopropyl-6-methylpyrimidin-4-ylphosphate|Oxodiazinon|UNII-9FX08D2L1U https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037523
ARPathway2016 ARPathway2016_1780 Diazoxon 962-58-3 DTXSID5037523 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOP(=O)(OCC)OC1=NC(=NC(C)=C1)C(C)C Diazoxon 962-58-3|Diazoxon|Diazinon oxon|diethyl 2-isopropyl-6-methylpyrimidin-4-ylphosphate|Oxodiazinon|UNII-9FX08D2L1U https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037523
ARPathway2016 ARPathway2016_1780 Diazoxon 962-58-3 DTXSID5037523 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=O)(OCC)OC1=NC(=NC(C)=C1)C(C)C Diazoxon 962-58-3|Diazoxon|Diazinon oxon|diethyl 2-isopropyl-6-methylpyrimidin-4-ylphosphate|Oxodiazinon|UNII-9FX08D2L1U https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037523
ERPathway2016 ERPathway2016_1778 Diazoxon 962-58-3 DTXSID5037523 ER Pathway Model, Agonist Model Score 0 Unitless CCOP(=O)(OCC)OC1=NC(=NC(C)=C1)C(C)C Diazoxon 962-58-3|Diazoxon|Diazinon oxon|diethyl 2-isopropyl-6-methylpyrimidin-4-ylphosphate|Oxodiazinon|UNII-9FX08D2L1U https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037523
ERPathway2016 ERPathway2016_1778 Diazoxon 962-58-3 DTXSID5037523 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=O)(OCC)OC1=NC(=NC(C)=C1)C(C)C Diazoxon 962-58-3|Diazoxon|Diazinon oxon|diethyl 2-isopropyl-6-methylpyrimidin-4-ylphosphate|Oxodiazinon|UNII-9FX08D2L1U https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037523
ERPathway2016 ERPathway2016_1778 Diazoxon 962-58-3 DTXSID5037523 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=O)(OCC)OC1=NC(=NC(C)=C1)C(C)C Diazoxon 962-58-3|Diazoxon|Diazinon oxon|diethyl 2-isopropyl-6-methylpyrimidin-4-ylphosphate|Oxodiazinon|UNII-9FX08D2L1U https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037523
ERPathway2016 ERPathway2016_1778 Diazoxon 962-58-3 DTXSID5037523 ER Pathway Model, Antagonist Call Inactive Unitless CCOP(=O)(OCC)OC1=NC(=NC(C)=C1)C(C)C Diazoxon 962-58-3|Diazoxon|Diazinon oxon|diethyl 2-isopropyl-6-methylpyrimidin-4-ylphosphate|Oxodiazinon|UNII-9FX08D2L1U https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037523
ARPathway2016 ARPathway2016_1294 Dibenz[a,h]anthracene 53-70-3 DTXSID9020409 1.0 A9 AR Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=CC=C3C=C4C(C=CC5=CC=CC=C45)=CC3=C2C=C1 Dibenz[a,h]anthracene 53-70-3|Dibenz[a,h]anthracene|1,2,5,6-Dba|1,2,5,6-Dibenzanthraceen|1,2:5,6-Benzanthracene|1,2:5,6-Dibenz(a)anthracene|1,2:5,6-Dibenz[a]anthracene|1,2:5,6-Dibenzanthracen|1,2:5,6-Dibenzanthracene|1,2:5,6-Dibenzoanthracene|DB(a,h)A|DBA|DIBENZ(A,H)ANTHRACEN|Dibenz(a,h)antracene|Dibenz[a,h]anthracen|Dibenzo(a,h)anthracene|dibenzo[a,h]antraceno|EINECS 200-181-8|NSC 22433|RCRA waste number U063|UNII-T30ELH3D5X https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020409 https://doi.org/10.22427/NTP-DATA-DTXSID9020409
ARPathway2016 ARPathway2016_1294 Dibenz[a,h]anthracene 53-70-3 DTXSID9020409 1.0 A9 AR Pathway Model, Agonist Model Score 0 Unitless C1=CC2=CC=C3C=C4C(C=CC5=CC=CC=C45)=CC3=C2C=C1 Dibenz[a,h]anthracene 53-70-3|Dibenz[a,h]anthracene|1,2,5,6-Dba|1,2,5,6-Dibenzanthraceen|1,2:5,6-Benzanthracene|1,2:5,6-Dibenz(a)anthracene|1,2:5,6-Dibenz[a]anthracene|1,2:5,6-Dibenzanthracen|1,2:5,6-Dibenzanthracene|1,2:5,6-Dibenzoanthracene|DB(a,h)A|DBA|DIBENZ(A,H)ANTHRACEN|Dibenz(a,h)antracene|Dibenz[a,h]anthracen|Dibenzo(a,h)anthracene|dibenzo[a,h]antraceno|EINECS 200-181-8|NSC 22433|RCRA waste number U063|UNII-T30ELH3D5X https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020409 https://doi.org/10.22427/NTP-DATA-DTXSID9020409
ARPathway2016 ARPathway2016_1294 Dibenz[a,h]anthracene 53-70-3 DTXSID9020409 1.0 A9 AR Pathway Model, Agonist Call Inactive Unitless C1=CC2=CC=C3C=C4C(C=CC5=CC=CC=C45)=CC3=C2C=C1 Dibenz[a,h]anthracene 53-70-3|Dibenz[a,h]anthracene|1,2,5,6-Dba|1,2,5,6-Dibenzanthraceen|1,2:5,6-Benzanthracene|1,2:5,6-Dibenz(a)anthracene|1,2:5,6-Dibenz[a]anthracene|1,2:5,6-Dibenzanthracen|1,2:5,6-Dibenzanthracene|1,2:5,6-Dibenzoanthracene|DB(a,h)A|DBA|DIBENZ(A,H)ANTHRACEN|Dibenz(a,h)antracene|Dibenz[a,h]anthracen|Dibenzo(a,h)anthracene|dibenzo[a,h]antraceno|EINECS 200-181-8|NSC 22433|RCRA waste number U063|UNII-T30ELH3D5X https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020409 https://doi.org/10.22427/NTP-DATA-DTXSID9020409
ARPathway2016 ARPathway2016_1294 Dibenz[a,h]anthracene 53-70-3 DTXSID9020409 1.0 A9 AR Pathway Model, Antagonist Call Inactive Unitless C1=CC2=CC=C3C=C4C(C=CC5=CC=CC=C45)=CC3=C2C=C1 Dibenz[a,h]anthracene 53-70-3|Dibenz[a,h]anthracene|1,2,5,6-Dba|1,2,5,6-Dibenzanthraceen|1,2:5,6-Benzanthracene|1,2:5,6-Dibenz(a)anthracene|1,2:5,6-Dibenz[a]anthracene|1,2:5,6-Dibenzanthracen|1,2:5,6-Dibenzanthracene|1,2:5,6-Dibenzoanthracene|DB(a,h)A|DBA|DIBENZ(A,H)ANTHRACEN|Dibenz(a,h)antracene|Dibenz[a,h]anthracen|Dibenzo(a,h)anthracene|dibenzo[a,h]antraceno|EINECS 200-181-8|NSC 22433|RCRA waste number U063|UNII-T30ELH3D5X https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020409 https://doi.org/10.22427/NTP-DATA-DTXSID9020409
ERPathway2016 ERPathway2016_727 Dibenz[a,h]anthracene 53-70-3 DTXSID9020409 A13 ER Pathway Model, Agonist Model Score 0 Unitless C1=CC2=CC=C3C=C4C(C=CC5=CC=CC=C45)=CC3=C2C=C1 Dibenz[a,h]anthracene 53-70-3|Dibenz[a,h]anthracene|1,2,5,6-Dba|1,2,5,6-Dibenzanthraceen|1,2:5,6-Benzanthracene|1,2:5,6-Dibenz(a)anthracene|1,2:5,6-Dibenz[a]anthracene|1,2:5,6-Dibenzanthracen|1,2:5,6-Dibenzanthracene|1,2:5,6-Dibenzoanthracene|DB(a,h)A|DBA|DIBENZ(A,H)ANTHRACEN|Dibenz(a,h)antracene|Dibenz[a,h]anthracen|Dibenzo(a,h)anthracene|dibenzo[a,h]antraceno|EINECS 200-181-8|NSC 22433|RCRA waste number U063|UNII-T30ELH3D5X https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020409 https://doi.org/10.22427/NTP-DATA-DTXSID9020409
ERPathway2016 ERPathway2016_727 Dibenz[a,h]anthracene 53-70-3 DTXSID9020409 A13 ER Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=CC=C3C=C4C(C=CC5=CC=CC=C45)=CC3=C2C=C1 Dibenz[a,h]anthracene 53-70-3|Dibenz[a,h]anthracene|1,2,5,6-Dba|1,2,5,6-Dibenzanthraceen|1,2:5,6-Benzanthracene|1,2:5,6-Dibenz(a)anthracene|1,2:5,6-Dibenz[a]anthracene|1,2:5,6-Dibenzanthracen|1,2:5,6-Dibenzanthracene|1,2:5,6-Dibenzoanthracene|DB(a,h)A|DBA|DIBENZ(A,H)ANTHRACEN|Dibenz(a,h)antracene|Dibenz[a,h]anthracen|Dibenzo(a,h)anthracene|dibenzo[a,h]antraceno|EINECS 200-181-8|NSC 22433|RCRA waste number U063|UNII-T30ELH3D5X https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020409 https://doi.org/10.22427/NTP-DATA-DTXSID9020409
ERPathway2016 ERPathway2016_727 Dibenz[a,h]anthracene 53-70-3 DTXSID9020409 A13 ER Pathway Model, Agonist Call Inactive Unitless C1=CC2=CC=C3C=C4C(C=CC5=CC=CC=C45)=CC3=C2C=C1 Dibenz[a,h]anthracene 53-70-3|Dibenz[a,h]anthracene|1,2,5,6-Dba|1,2,5,6-Dibenzanthraceen|1,2:5,6-Benzanthracene|1,2:5,6-Dibenz(a)anthracene|1,2:5,6-Dibenz[a]anthracene|1,2:5,6-Dibenzanthracen|1,2:5,6-Dibenzanthracene|1,2:5,6-Dibenzoanthracene|DB(a,h)A|DBA|DIBENZ(A,H)ANTHRACEN|Dibenz(a,h)antracene|Dibenz[a,h]anthracen|Dibenzo(a,h)anthracene|dibenzo[a,h]antraceno|EINECS 200-181-8|NSC 22433|RCRA waste number U063|UNII-T30ELH3D5X https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020409 https://doi.org/10.22427/NTP-DATA-DTXSID9020409
ERPathway2016 ERPathway2016_727 Dibenz[a,h]anthracene 53-70-3 DTXSID9020409 A13 ER Pathway Model, Antagonist Call Inactive Unitless C1=CC2=CC=C3C=C4C(C=CC5=CC=CC=C45)=CC3=C2C=C1 Dibenz[a,h]anthracene 53-70-3|Dibenz[a,h]anthracene|1,2,5,6-Dba|1,2,5,6-Dibenzanthraceen|1,2:5,6-Benzanthracene|1,2:5,6-Dibenz(a)anthracene|1,2:5,6-Dibenz[a]anthracene|1,2:5,6-Dibenzanthracen|1,2:5,6-Dibenzanthracene|1,2:5,6-Dibenzoanthracene|DB(a,h)A|DBA|DIBENZ(A,H)ANTHRACEN|Dibenz(a,h)antracene|Dibenz[a,h]anthracen|Dibenzo(a,h)anthracene|dibenzo[a,h]antraceno|EINECS 200-181-8|NSC 22433|RCRA waste number U063|UNII-T30ELH3D5X https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020409 https://doi.org/10.22427/NTP-DATA-DTXSID9020409
ARPathway2016 ARPathway2016_787 Dibenzofuran 132-64-9 DTXSID2021993 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O1C2=CC=CC=C2C2=C1C=CC=C2 Dibenzofuran 132-64-9|Dibenzofuran|(1,1'-Biphenyl)-2,2'-diyl oxide|[1,1'-Biphenyl]-2,2'-diyl oxide|2,2'-Biphenylene oxide|2,2'-Biphenylylene oxide|DBF|Dibenzo(b,d)furan|Dibenzo[b,d]furan|Dibenzofurane|dibenzofuranne|dibenzofurano|Dibenzol(b,d)furan|Diphenylene oxide|Diphenyleneoxide|EINECS 205-071-3|NSC 1245|UNII-8U54U639VI|214827-48-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021993 https://doi.org/10.22427/NTP-DATA-DTXSID2021993
ARPathway2016 ARPathway2016_787 Dibenzofuran 132-64-9 DTXSID2021993 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O1C2=CC=CC=C2C2=C1C=CC=C2 Dibenzofuran 132-64-9|Dibenzofuran|(1,1'-Biphenyl)-2,2'-diyl oxide|[1,1'-Biphenyl]-2,2'-diyl oxide|2,2'-Biphenylene oxide|2,2'-Biphenylylene oxide|DBF|Dibenzo(b,d)furan|Dibenzo[b,d]furan|Dibenzofurane|dibenzofuranne|dibenzofurano|Dibenzol(b,d)furan|Diphenylene oxide|Diphenyleneoxide|EINECS 205-071-3|NSC 1245|UNII-8U54U639VI|214827-48-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021993 https://doi.org/10.22427/NTP-DATA-DTXSID2021993
ARPathway2016 ARPathway2016_787 Dibenzofuran 132-64-9 DTXSID2021993 0.0 AR Pathway Model, Agonist Call Inactive Unitless O1C2=CC=CC=C2C2=C1C=CC=C2 Dibenzofuran 132-64-9|Dibenzofuran|(1,1'-Biphenyl)-2,2'-diyl oxide|[1,1'-Biphenyl]-2,2'-diyl oxide|2,2'-Biphenylene oxide|2,2'-Biphenylylene oxide|DBF|Dibenzo(b,d)furan|Dibenzo[b,d]furan|Dibenzofurane|dibenzofuranne|dibenzofurano|Dibenzol(b,d)furan|Diphenylene oxide|Diphenyleneoxide|EINECS 205-071-3|NSC 1245|UNII-8U54U639VI|214827-48-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021993 https://doi.org/10.22427/NTP-DATA-DTXSID2021993
ARPathway2016 ARPathway2016_787 Dibenzofuran 132-64-9 DTXSID2021993 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O1C2=CC=CC=C2C2=C1C=CC=C2 Dibenzofuran 132-64-9|Dibenzofuran|(1,1'-Biphenyl)-2,2'-diyl oxide|[1,1'-Biphenyl]-2,2'-diyl oxide|2,2'-Biphenylene oxide|2,2'-Biphenylylene oxide|DBF|Dibenzo(b,d)furan|Dibenzo[b,d]furan|Dibenzofurane|dibenzofuranne|dibenzofurano|Dibenzol(b,d)furan|Diphenylene oxide|Diphenyleneoxide|EINECS 205-071-3|NSC 1245|UNII-8U54U639VI|214827-48-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021993 https://doi.org/10.22427/NTP-DATA-DTXSID2021993
ERPathway2016 ERPathway2016_433 Dibenzofuran 132-64-9 DTXSID2021993 ER Pathway Model, Antagonist AC50 87.6732325786992 uM O1C2=CC=CC=C2C2=C1C=CC=C2 Dibenzofuran 132-64-9|Dibenzofuran|(1,1'-Biphenyl)-2,2'-diyl oxide|[1,1'-Biphenyl]-2,2'-diyl oxide|2,2'-Biphenylene oxide|2,2'-Biphenylylene oxide|DBF|Dibenzo(b,d)furan|Dibenzo[b,d]furan|Dibenzofurane|dibenzofuranne|dibenzofurano|Dibenzol(b,d)furan|Diphenylene oxide|Diphenyleneoxide|EINECS 205-071-3|NSC 1245|UNII-8U54U639VI|214827-48-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021993 https://doi.org/10.22427/NTP-DATA-DTXSID2021993
ERPathway2016 ERPathway2016_433 Dibenzofuran 132-64-9 DTXSID2021993 ER Pathway Model, Antagonist ACC 95.3130551173253 uM O1C2=CC=CC=C2C2=C1C=CC=C2 Dibenzofuran 132-64-9|Dibenzofuran|(1,1'-Biphenyl)-2,2'-diyl oxide|[1,1'-Biphenyl]-2,2'-diyl oxide|2,2'-Biphenylene oxide|2,2'-Biphenylylene oxide|DBF|Dibenzo(b,d)furan|Dibenzo[b,d]furan|Dibenzofurane|dibenzofuranne|dibenzofurano|Dibenzol(b,d)furan|Diphenylene oxide|Diphenyleneoxide|EINECS 205-071-3|NSC 1245|UNII-8U54U639VI|214827-48-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021993 https://doi.org/10.22427/NTP-DATA-DTXSID2021993
ERPathway2016 ERPathway2016_433 Dibenzofuran 132-64-9 DTXSID2021993 ER Pathway Model, Agonist Model Score 0.00597 Unitless O1C2=CC=CC=C2C2=C1C=CC=C2 Dibenzofuran 132-64-9|Dibenzofuran|(1,1'-Biphenyl)-2,2'-diyl oxide|[1,1'-Biphenyl]-2,2'-diyl oxide|2,2'-Biphenylene oxide|2,2'-Biphenylylene oxide|DBF|Dibenzo(b,d)furan|Dibenzo[b,d]furan|Dibenzofurane|dibenzofuranne|dibenzofurano|Dibenzol(b,d)furan|Diphenylene oxide|Diphenyleneoxide|EINECS 205-071-3|NSC 1245|UNII-8U54U639VI|214827-48-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021993 https://doi.org/10.22427/NTP-DATA-DTXSID2021993
ERPathway2016 ERPathway2016_433 Dibenzofuran 132-64-9 DTXSID2021993 ER Pathway Model, Antagonist Model Score 0 Unitless O1C2=CC=CC=C2C2=C1C=CC=C2 Dibenzofuran 132-64-9|Dibenzofuran|(1,1'-Biphenyl)-2,2'-diyl oxide|[1,1'-Biphenyl]-2,2'-diyl oxide|2,2'-Biphenylene oxide|2,2'-Biphenylylene oxide|DBF|Dibenzo(b,d)furan|Dibenzo[b,d]furan|Dibenzofurane|dibenzofuranne|dibenzofurano|Dibenzol(b,d)furan|Diphenylene oxide|Diphenyleneoxide|EINECS 205-071-3|NSC 1245|UNII-8U54U639VI|214827-48-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021993 https://doi.org/10.22427/NTP-DATA-DTXSID2021993
ERPathway2016 ERPathway2016_433 Dibenzofuran 132-64-9 DTXSID2021993 ER Pathway Model, Agonist Call Inactive Unitless O1C2=CC=CC=C2C2=C1C=CC=C2 Dibenzofuran 132-64-9|Dibenzofuran|(1,1'-Biphenyl)-2,2'-diyl oxide|[1,1'-Biphenyl]-2,2'-diyl oxide|2,2'-Biphenylene oxide|2,2'-Biphenylylene oxide|DBF|Dibenzo(b,d)furan|Dibenzo[b,d]furan|Dibenzofurane|dibenzofuranne|dibenzofurano|Dibenzol(b,d)furan|Diphenylene oxide|Diphenyleneoxide|EINECS 205-071-3|NSC 1245|UNII-8U54U639VI|214827-48-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021993 https://doi.org/10.22427/NTP-DATA-DTXSID2021993
ERPathway2016 ERPathway2016_433 Dibenzofuran 132-64-9 DTXSID2021993 ER Pathway Model, Antagonist Call Active Unitless O1C2=CC=CC=C2C2=C1C=CC=C2 Dibenzofuran 132-64-9|Dibenzofuran|(1,1'-Biphenyl)-2,2'-diyl oxide|[1,1'-Biphenyl]-2,2'-diyl oxide|2,2'-Biphenylene oxide|2,2'-Biphenylylene oxide|DBF|Dibenzo(b,d)furan|Dibenzo[b,d]furan|Dibenzofurane|dibenzofuranne|dibenzofurano|Dibenzol(b,d)furan|Diphenylene oxide|Diphenyleneoxide|EINECS 205-071-3|NSC 1245|UNII-8U54U639VI|214827-48-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021993 https://doi.org/10.22427/NTP-DATA-DTXSID2021993
ARPathway2016 ARPathway2016_788 Dibenzothiophene 132-65-0 DTXSID0047741 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless S1C2=C(C=CC=C2)C2=C1C=CC=C2 Dibenzothiophene 132-65-0|Dibenzothiophene|(1,1'-Biphenyl)-2,2'-diyl sulfide|[1,1'-Biphenyl]-2,2'-diyl sulfide|2,2'-Biphenylylene sulfide|9-Thiafluorene|alpha-thiafluorene|DIBENZO(B,D)THIOPHEN|Dibenzo(b,d)thiophene|Dibenzo[b,d]thiophene|Dibenzothiophen|dibenzotiofeno|Diphenylene sulfide|EINECS 205-072-9|NSC 2843|UNII-Z3D4AJ1R48 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047741
ARPathway2016 ARPathway2016_788 Dibenzothiophene 132-65-0 DTXSID0047741 0.0 AR Pathway Model, Agonist Model Score 0 Unitless S1C2=C(C=CC=C2)C2=C1C=CC=C2 Dibenzothiophene 132-65-0|Dibenzothiophene|(1,1'-Biphenyl)-2,2'-diyl sulfide|[1,1'-Biphenyl]-2,2'-diyl sulfide|2,2'-Biphenylylene sulfide|9-Thiafluorene|alpha-thiafluorene|DIBENZO(B,D)THIOPHEN|Dibenzo(b,d)thiophene|Dibenzo[b,d]thiophene|Dibenzothiophen|dibenzotiofeno|Diphenylene sulfide|EINECS 205-072-9|NSC 2843|UNII-Z3D4AJ1R48 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047741
ARPathway2016 ARPathway2016_788 Dibenzothiophene 132-65-0 DTXSID0047741 0.0 AR Pathway Model, Agonist Call Inactive Unitless S1C2=C(C=CC=C2)C2=C1C=CC=C2 Dibenzothiophene 132-65-0|Dibenzothiophene|(1,1'-Biphenyl)-2,2'-diyl sulfide|[1,1'-Biphenyl]-2,2'-diyl sulfide|2,2'-Biphenylylene sulfide|9-Thiafluorene|alpha-thiafluorene|DIBENZO(B,D)THIOPHEN|Dibenzo(b,d)thiophene|Dibenzo[b,d]thiophene|Dibenzothiophen|dibenzotiofeno|Diphenylene sulfide|EINECS 205-072-9|NSC 2843|UNII-Z3D4AJ1R48 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047741
ARPathway2016 ARPathway2016_788 Dibenzothiophene 132-65-0 DTXSID0047741 0.0 AR Pathway Model, Antagonist Call Inactive Unitless S1C2=C(C=CC=C2)C2=C1C=CC=C2 Dibenzothiophene 132-65-0|Dibenzothiophene|(1,1'-Biphenyl)-2,2'-diyl sulfide|[1,1'-Biphenyl]-2,2'-diyl sulfide|2,2'-Biphenylylene sulfide|9-Thiafluorene|alpha-thiafluorene|DIBENZO(B,D)THIOPHEN|Dibenzo(b,d)thiophene|Dibenzo[b,d]thiophene|Dibenzothiophen|dibenzotiofeno|Diphenylene sulfide|EINECS 205-072-9|NSC 2843|UNII-Z3D4AJ1R48 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047741
ERPathway2016 ERPathway2016_460 Dibenzothiophene 132-65-0 DTXSID0047741 ER Pathway Model, Antagonist AC50 35.5673705358343 uM S1C2=C(C=CC=C2)C2=C1C=CC=C2 Dibenzothiophene 132-65-0|Dibenzothiophene|(1,1'-Biphenyl)-2,2'-diyl sulfide|[1,1'-Biphenyl]-2,2'-diyl sulfide|2,2'-Biphenylylene sulfide|9-Thiafluorene|alpha-thiafluorene|DIBENZO(B,D)THIOPHEN|Dibenzo(b,d)thiophene|Dibenzo[b,d]thiophene|Dibenzothiophen|dibenzotiofeno|Diphenylene sulfide|EINECS 205-072-9|NSC 2843|UNII-Z3D4AJ1R48 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047741
ERPathway2016 ERPathway2016_460 Dibenzothiophene 132-65-0 DTXSID0047741 ER Pathway Model, Antagonist ACC 34.6369174121674 uM S1C2=C(C=CC=C2)C2=C1C=CC=C2 Dibenzothiophene 132-65-0|Dibenzothiophene|(1,1'-Biphenyl)-2,2'-diyl sulfide|[1,1'-Biphenyl]-2,2'-diyl sulfide|2,2'-Biphenylylene sulfide|9-Thiafluorene|alpha-thiafluorene|DIBENZO(B,D)THIOPHEN|Dibenzo(b,d)thiophene|Dibenzo[b,d]thiophene|Dibenzothiophen|dibenzotiofeno|Diphenylene sulfide|EINECS 205-072-9|NSC 2843|UNII-Z3D4AJ1R48 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047741
ERPathway2016 ERPathway2016_460 Dibenzothiophene 132-65-0 DTXSID0047741 ER Pathway Model, Agonist Model Score 0.00373 Unitless S1C2=C(C=CC=C2)C2=C1C=CC=C2 Dibenzothiophene 132-65-0|Dibenzothiophene|(1,1'-Biphenyl)-2,2'-diyl sulfide|[1,1'-Biphenyl]-2,2'-diyl sulfide|2,2'-Biphenylylene sulfide|9-Thiafluorene|alpha-thiafluorene|DIBENZO(B,D)THIOPHEN|Dibenzo(b,d)thiophene|Dibenzo[b,d]thiophene|Dibenzothiophen|dibenzotiofeno|Diphenylene sulfide|EINECS 205-072-9|NSC 2843|UNII-Z3D4AJ1R48 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047741
ERPathway2016 ERPathway2016_460 Dibenzothiophene 132-65-0 DTXSID0047741 ER Pathway Model, Antagonist Model Score 0 Unitless S1C2=C(C=CC=C2)C2=C1C=CC=C2 Dibenzothiophene 132-65-0|Dibenzothiophene|(1,1'-Biphenyl)-2,2'-diyl sulfide|[1,1'-Biphenyl]-2,2'-diyl sulfide|2,2'-Biphenylylene sulfide|9-Thiafluorene|alpha-thiafluorene|DIBENZO(B,D)THIOPHEN|Dibenzo(b,d)thiophene|Dibenzo[b,d]thiophene|Dibenzothiophen|dibenzotiofeno|Diphenylene sulfide|EINECS 205-072-9|NSC 2843|UNII-Z3D4AJ1R48 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047741
ERPathway2016 ERPathway2016_460 Dibenzothiophene 132-65-0 DTXSID0047741 ER Pathway Model, Agonist Call Inactive Unitless S1C2=C(C=CC=C2)C2=C1C=CC=C2 Dibenzothiophene 132-65-0|Dibenzothiophene|(1,1'-Biphenyl)-2,2'-diyl sulfide|[1,1'-Biphenyl]-2,2'-diyl sulfide|2,2'-Biphenylylene sulfide|9-Thiafluorene|alpha-thiafluorene|DIBENZO(B,D)THIOPHEN|Dibenzo(b,d)thiophene|Dibenzo[b,d]thiophene|Dibenzothiophen|dibenzotiofeno|Diphenylene sulfide|EINECS 205-072-9|NSC 2843|UNII-Z3D4AJ1R48 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047741
ERPathway2016 ERPathway2016_460 Dibenzothiophene 132-65-0 DTXSID0047741 ER Pathway Model, Antagonist Call Active Unitless S1C2=C(C=CC=C2)C2=C1C=CC=C2 Dibenzothiophene 132-65-0|Dibenzothiophene|(1,1'-Biphenyl)-2,2'-diyl sulfide|[1,1'-Biphenyl]-2,2'-diyl sulfide|2,2'-Biphenylylene sulfide|9-Thiafluorene|alpha-thiafluorene|DIBENZO(B,D)THIOPHEN|Dibenzo(b,d)thiophene|Dibenzo[b,d]thiophene|Dibenzothiophen|dibenzotiofeno|Diphenylene sulfide|EINECS 205-072-9|NSC 2843|UNII-Z3D4AJ1R48 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047741
ARPathway2016 ARPathway2016_1140 Dibromoacetonitrile 3252-43-5 DTXSID3024940 0.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless BrC(Br)C#N Dibromoacetonitrile 3252-43-5|Dibromoacetonitrile|4-02-00-00533|Acetonitrile, 2,2-dibromo-|Acetonitrile, dibromo-|BRN 1739037|EINECS 221-843-2|UNII-VGJ91H57XU https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024940 https://doi.org/10.22427/NTP-DATA-DTXSID3024940
ARPathway2016 ARPathway2016_1140 Dibromoacetonitrile 3252-43-5 DTXSID3024940 0.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless BrC(Br)C#N Dibromoacetonitrile 3252-43-5|Dibromoacetonitrile|4-02-00-00533|Acetonitrile, 2,2-dibromo-|Acetonitrile, dibromo-|BRN 1739037|EINECS 221-843-2|UNII-VGJ91H57XU https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024940 https://doi.org/10.22427/NTP-DATA-DTXSID3024940
ARPathway2016 ARPathway2016_1140 Dibromoacetonitrile 3252-43-5 DTXSID3024940 0.0 R5 AR Pathway Model, Agonist Call Inactive Unitless BrC(Br)C#N Dibromoacetonitrile 3252-43-5|Dibromoacetonitrile|4-02-00-00533|Acetonitrile, 2,2-dibromo-|Acetonitrile, dibromo-|BRN 1739037|EINECS 221-843-2|UNII-VGJ91H57XU https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024940 https://doi.org/10.22427/NTP-DATA-DTXSID3024940
ARPathway2016 ARPathway2016_1140 Dibromoacetonitrile 3252-43-5 DTXSID3024940 0.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless BrC(Br)C#N Dibromoacetonitrile 3252-43-5|Dibromoacetonitrile|4-02-00-00533|Acetonitrile, 2,2-dibromo-|Acetonitrile, dibromo-|BRN 1739037|EINECS 221-843-2|UNII-VGJ91H57XU https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024940 https://doi.org/10.22427/NTP-DATA-DTXSID3024940
ARPathway2016 ARPathway2016_1641 Dibutyl 1,2-benzenedicarboxylate 84-74-2 DTXSID2021781 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC Dibutyl 1,2-benzenedicarboxylate 84-74-2|Dibutyl 1,2-benzenedicarboxylate|1,2-Benzenedicarboxylic acid dibutyl ester|1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester|1,2-Benzenedicarboxylic acid, dibutyl ester|Benzene-o-dicarboxylic acid di-n-butyl ester|Benzenedicarboxylic acid dibutyl ester|Bis-n-butyl phthalate|BRN 1914064|Butyl phthalate|Caswell No. 292|Celluflex DPB|Corflex 440|DBP|DI-BUTYL PHTHALATE|Di-n-butyl phthalate|Di-n-butylester kyseliny ftalove|Di-n-butylorthophthalate|Di(n-butyl) 1,2-benzenedicarboxylate|Dibutilftalato|Dibutyl 1,2-benzenedicarboxylate|Dibutyl o-phthalate|Dibutyl phthalate|Dibutyl-o-phthalate|Dibutylphthalat|Dibutylphthalate|EINECS 201-557-4|EPA Pesticide Chemical Code 028001|Ergoplast FDB|Ersoplast FDA|ftalato de dibutilo|Genoplast B|Hatco DBP|Hatcol DBP|Hexaplas M/B|Kodaflex DBP|Monocizer DBP|n-Butyl phthalate|N-Butylphthalate|NSC 6370|o-Benzenedicarboxylic acid dibutyl ester|o-Benzenedicarboxylic acid, dibutyl ester|Palatinol C|Phtalate de dibutyle|PHTHALATE, BUTYL|Phthalate, di-n-butyl|PHTHALATE, DIBUTYL|Phthalate, dibutyl-|Phthalic acid di-n-butyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021781 https://doi.org/10.22427/NTP-DATA-DTXSID2021781
ARPathway2016 ARPathway2016_1641 Dibutyl 1,2-benzenedicarboxylate 84-74-2 DTXSID2021781 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC Dibutyl 1,2-benzenedicarboxylate 84-74-2|Dibutyl 1,2-benzenedicarboxylate|1,2-Benzenedicarboxylic acid dibutyl ester|1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester|1,2-Benzenedicarboxylic acid, dibutyl ester|Benzene-o-dicarboxylic acid di-n-butyl ester|Benzenedicarboxylic acid dibutyl ester|Bis-n-butyl phthalate|BRN 1914064|Butyl phthalate|Caswell No. 292|Celluflex DPB|Corflex 440|DBP|DI-BUTYL PHTHALATE|Di-n-butyl phthalate|Di-n-butylester kyseliny ftalove|Di-n-butylorthophthalate|Di(n-butyl) 1,2-benzenedicarboxylate|Dibutilftalato|Dibutyl 1,2-benzenedicarboxylate|Dibutyl o-phthalate|Dibutyl phthalate|Dibutyl-o-phthalate|Dibutylphthalat|Dibutylphthalate|EINECS 201-557-4|EPA Pesticide Chemical Code 028001|Ergoplast FDB|Ersoplast FDA|ftalato de dibutilo|Genoplast B|Hatco DBP|Hatcol DBP|Hexaplas M/B|Kodaflex DBP|Monocizer DBP|n-Butyl phthalate|N-Butylphthalate|NSC 6370|o-Benzenedicarboxylic acid dibutyl ester|o-Benzenedicarboxylic acid, dibutyl ester|Palatinol C|Phtalate de dibutyle|PHTHALATE, BUTYL|Phthalate, di-n-butyl|PHTHALATE, DIBUTYL|Phthalate, dibutyl-|Phthalic acid di-n-butyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021781 https://doi.org/10.22427/NTP-DATA-DTXSID2021781
ARPathway2016 ARPathway2016_1641 Dibutyl 1,2-benzenedicarboxylate 84-74-2 DTXSID2021781 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC Dibutyl 1,2-benzenedicarboxylate 84-74-2|Dibutyl 1,2-benzenedicarboxylate|1,2-Benzenedicarboxylic acid dibutyl ester|1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester|1,2-Benzenedicarboxylic acid, dibutyl ester|Benzene-o-dicarboxylic acid di-n-butyl ester|Benzenedicarboxylic acid dibutyl ester|Bis-n-butyl phthalate|BRN 1914064|Butyl phthalate|Caswell No. 292|Celluflex DPB|Corflex 440|DBP|DI-BUTYL PHTHALATE|Di-n-butyl phthalate|Di-n-butylester kyseliny ftalove|Di-n-butylorthophthalate|Di(n-butyl) 1,2-benzenedicarboxylate|Dibutilftalato|Dibutyl 1,2-benzenedicarboxylate|Dibutyl o-phthalate|Dibutyl phthalate|Dibutyl-o-phthalate|Dibutylphthalat|Dibutylphthalate|EINECS 201-557-4|EPA Pesticide Chemical Code 028001|Ergoplast FDB|Ersoplast FDA|ftalato de dibutilo|Genoplast B|Hatco DBP|Hatcol DBP|Hexaplas M/B|Kodaflex DBP|Monocizer DBP|n-Butyl phthalate|N-Butylphthalate|NSC 6370|o-Benzenedicarboxylic acid dibutyl ester|o-Benzenedicarboxylic acid, dibutyl ester|Palatinol C|Phtalate de dibutyle|PHTHALATE, BUTYL|Phthalate, di-n-butyl|PHTHALATE, DIBUTYL|Phthalate, dibutyl-|Phthalic acid di-n-butyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021781 https://doi.org/10.22427/NTP-DATA-DTXSID2021781
ARPathway2016 ARPathway2016_1641 Dibutyl 1,2-benzenedicarboxylate 84-74-2 DTXSID2021781 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC Dibutyl 1,2-benzenedicarboxylate 84-74-2|Dibutyl 1,2-benzenedicarboxylate|1,2-Benzenedicarboxylic acid dibutyl ester|1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester|1,2-Benzenedicarboxylic acid, dibutyl ester|Benzene-o-dicarboxylic acid di-n-butyl ester|Benzenedicarboxylic acid dibutyl ester|Bis-n-butyl phthalate|BRN 1914064|Butyl phthalate|Caswell No. 292|Celluflex DPB|Corflex 440|DBP|DI-BUTYL PHTHALATE|Di-n-butyl phthalate|Di-n-butylester kyseliny ftalove|Di-n-butylorthophthalate|Di(n-butyl) 1,2-benzenedicarboxylate|Dibutilftalato|Dibutyl 1,2-benzenedicarboxylate|Dibutyl o-phthalate|Dibutyl phthalate|Dibutyl-o-phthalate|Dibutylphthalat|Dibutylphthalate|EINECS 201-557-4|EPA Pesticide Chemical Code 028001|Ergoplast FDB|Ersoplast FDA|ftalato de dibutilo|Genoplast B|Hatco DBP|Hatcol DBP|Hexaplas M/B|Kodaflex DBP|Monocizer DBP|n-Butyl phthalate|N-Butylphthalate|NSC 6370|o-Benzenedicarboxylic acid dibutyl ester|o-Benzenedicarboxylic acid, dibutyl ester|Palatinol C|Phtalate de dibutyle|PHTHALATE, BUTYL|Phthalate, di-n-butyl|PHTHALATE, DIBUTYL|Phthalate, dibutyl-|Phthalic acid di-n-butyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021781 https://doi.org/10.22427/NTP-DATA-DTXSID2021781
ERPathway2016 ERPathway2016_5 Dibutyl 1,2-benzenedicarboxylate 84-74-2 DTXSID2021781 ER Pathway Model, Agonist AC50 31.2458203223546 uM CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC Dibutyl 1,2-benzenedicarboxylate 84-74-2|Dibutyl 1,2-benzenedicarboxylate|1,2-Benzenedicarboxylic acid dibutyl ester|1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester|1,2-Benzenedicarboxylic acid, dibutyl ester|Benzene-o-dicarboxylic acid di-n-butyl ester|Benzenedicarboxylic acid dibutyl ester|Bis-n-butyl phthalate|BRN 1914064|Butyl phthalate|Caswell No. 292|Celluflex DPB|Corflex 440|DBP|DI-BUTYL PHTHALATE|Di-n-butyl phthalate|Di-n-butylester kyseliny ftalove|Di-n-butylorthophthalate|Di(n-butyl) 1,2-benzenedicarboxylate|Dibutilftalato|Dibutyl 1,2-benzenedicarboxylate|Dibutyl o-phthalate|Dibutyl phthalate|Dibutyl-o-phthalate|Dibutylphthalat|Dibutylphthalate|EINECS 201-557-4|EPA Pesticide Chemical Code 028001|Ergoplast FDB|Ersoplast FDA|ftalato de dibutilo|Genoplast B|Hatco DBP|Hatcol DBP|Hexaplas M/B|Kodaflex DBP|Monocizer DBP|n-Butyl phthalate|N-Butylphthalate|NSC 6370|o-Benzenedicarboxylic acid dibutyl ester|o-Benzenedicarboxylic acid, dibutyl ester|Palatinol C|Phtalate de dibutyle|PHTHALATE, BUTYL|Phthalate, di-n-butyl|PHTHALATE, DIBUTYL|Phthalate, dibutyl-|Phthalic acid di-n-butyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021781 https://doi.org/10.22427/NTP-DATA-DTXSID2021781
ERPathway2016 ERPathway2016_5 Dibutyl 1,2-benzenedicarboxylate 84-74-2 DTXSID2021781 ER Pathway Model, Agonist ACC 23.0625321834709 uM CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC Dibutyl 1,2-benzenedicarboxylate 84-74-2|Dibutyl 1,2-benzenedicarboxylate|1,2-Benzenedicarboxylic acid dibutyl ester|1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester|1,2-Benzenedicarboxylic acid, dibutyl ester|Benzene-o-dicarboxylic acid di-n-butyl ester|Benzenedicarboxylic acid dibutyl ester|Bis-n-butyl phthalate|BRN 1914064|Butyl phthalate|Caswell No. 292|Celluflex DPB|Corflex 440|DBP|DI-BUTYL PHTHALATE|Di-n-butyl phthalate|Di-n-butylester kyseliny ftalove|Di-n-butylorthophthalate|Di(n-butyl) 1,2-benzenedicarboxylate|Dibutilftalato|Dibutyl 1,2-benzenedicarboxylate|Dibutyl o-phthalate|Dibutyl phthalate|Dibutyl-o-phthalate|Dibutylphthalat|Dibutylphthalate|EINECS 201-557-4|EPA Pesticide Chemical Code 028001|Ergoplast FDB|Ersoplast FDA|ftalato de dibutilo|Genoplast B|Hatco DBP|Hatcol DBP|Hexaplas M/B|Kodaflex DBP|Monocizer DBP|n-Butyl phthalate|N-Butylphthalate|NSC 6370|o-Benzenedicarboxylic acid dibutyl ester|o-Benzenedicarboxylic acid, dibutyl ester|Palatinol C|Phtalate de dibutyle|PHTHALATE, BUTYL|Phthalate, di-n-butyl|PHTHALATE, DIBUTYL|Phthalate, dibutyl-|Phthalic acid di-n-butyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021781 https://doi.org/10.22427/NTP-DATA-DTXSID2021781
ERPathway2016 ERPathway2016_5 Dibutyl 1,2-benzenedicarboxylate 84-74-2 DTXSID2021781 ER Pathway Model, Agonist Model Score 0.0265 Unitless CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC Dibutyl 1,2-benzenedicarboxylate 84-74-2|Dibutyl 1,2-benzenedicarboxylate|1,2-Benzenedicarboxylic acid dibutyl ester|1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester|1,2-Benzenedicarboxylic acid, dibutyl ester|Benzene-o-dicarboxylic acid di-n-butyl ester|Benzenedicarboxylic acid dibutyl ester|Bis-n-butyl phthalate|BRN 1914064|Butyl phthalate|Caswell No. 292|Celluflex DPB|Corflex 440|DBP|DI-BUTYL PHTHALATE|Di-n-butyl phthalate|Di-n-butylester kyseliny ftalove|Di-n-butylorthophthalate|Di(n-butyl) 1,2-benzenedicarboxylate|Dibutilftalato|Dibutyl 1,2-benzenedicarboxylate|Dibutyl o-phthalate|Dibutyl phthalate|Dibutyl-o-phthalate|Dibutylphthalat|Dibutylphthalate|EINECS 201-557-4|EPA Pesticide Chemical Code 028001|Ergoplast FDB|Ersoplast FDA|ftalato de dibutilo|Genoplast B|Hatco DBP|Hatcol DBP|Hexaplas M/B|Kodaflex DBP|Monocizer DBP|n-Butyl phthalate|N-Butylphthalate|NSC 6370|o-Benzenedicarboxylic acid dibutyl ester|o-Benzenedicarboxylic acid, dibutyl ester|Palatinol C|Phtalate de dibutyle|PHTHALATE, BUTYL|Phthalate, di-n-butyl|PHTHALATE, DIBUTYL|Phthalate, dibutyl-|Phthalic acid di-n-butyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021781 https://doi.org/10.22427/NTP-DATA-DTXSID2021781
ERPathway2016 ERPathway2016_5 Dibutyl 1,2-benzenedicarboxylate 84-74-2 DTXSID2021781 ER Pathway Model, Antagonist Model Score 0.0509 Unitless CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC Dibutyl 1,2-benzenedicarboxylate 84-74-2|Dibutyl 1,2-benzenedicarboxylate|1,2-Benzenedicarboxylic acid dibutyl ester|1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester|1,2-Benzenedicarboxylic acid, dibutyl ester|Benzene-o-dicarboxylic acid di-n-butyl ester|Benzenedicarboxylic acid dibutyl ester|Bis-n-butyl phthalate|BRN 1914064|Butyl phthalate|Caswell No. 292|Celluflex DPB|Corflex 440|DBP|DI-BUTYL PHTHALATE|Di-n-butyl phthalate|Di-n-butylester kyseliny ftalove|Di-n-butylorthophthalate|Di(n-butyl) 1,2-benzenedicarboxylate|Dibutilftalato|Dibutyl 1,2-benzenedicarboxylate|Dibutyl o-phthalate|Dibutyl phthalate|Dibutyl-o-phthalate|Dibutylphthalat|Dibutylphthalate|EINECS 201-557-4|EPA Pesticide Chemical Code 028001|Ergoplast FDB|Ersoplast FDA|ftalato de dibutilo|Genoplast B|Hatco DBP|Hatcol DBP|Hexaplas M/B|Kodaflex DBP|Monocizer DBP|n-Butyl phthalate|N-Butylphthalate|NSC 6370|o-Benzenedicarboxylic acid dibutyl ester|o-Benzenedicarboxylic acid, dibutyl ester|Palatinol C|Phtalate de dibutyle|PHTHALATE, BUTYL|Phthalate, di-n-butyl|PHTHALATE, DIBUTYL|Phthalate, dibutyl-|Phthalic acid di-n-butyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021781 https://doi.org/10.22427/NTP-DATA-DTXSID2021781
ERPathway2016 ERPathway2016_5 Dibutyl 1,2-benzenedicarboxylate 84-74-2 DTXSID2021781 ER Pathway Model, Agonist Call Active Unitless CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC Dibutyl 1,2-benzenedicarboxylate 84-74-2|Dibutyl 1,2-benzenedicarboxylate|1,2-Benzenedicarboxylic acid dibutyl ester|1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester|1,2-Benzenedicarboxylic acid, dibutyl ester|Benzene-o-dicarboxylic acid di-n-butyl ester|Benzenedicarboxylic acid dibutyl ester|Bis-n-butyl phthalate|BRN 1914064|Butyl phthalate|Caswell No. 292|Celluflex DPB|Corflex 440|DBP|DI-BUTYL PHTHALATE|Di-n-butyl phthalate|Di-n-butylester kyseliny ftalove|Di-n-butylorthophthalate|Di(n-butyl) 1,2-benzenedicarboxylate|Dibutilftalato|Dibutyl 1,2-benzenedicarboxylate|Dibutyl o-phthalate|Dibutyl phthalate|Dibutyl-o-phthalate|Dibutylphthalat|Dibutylphthalate|EINECS 201-557-4|EPA Pesticide Chemical Code 028001|Ergoplast FDB|Ersoplast FDA|ftalato de dibutilo|Genoplast B|Hatco DBP|Hatcol DBP|Hexaplas M/B|Kodaflex DBP|Monocizer DBP|n-Butyl phthalate|N-Butylphthalate|NSC 6370|o-Benzenedicarboxylic acid dibutyl ester|o-Benzenedicarboxylic acid, dibutyl ester|Palatinol C|Phtalate de dibutyle|PHTHALATE, BUTYL|Phthalate, di-n-butyl|PHTHALATE, DIBUTYL|Phthalate, dibutyl-|Phthalic acid di-n-butyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021781 https://doi.org/10.22427/NTP-DATA-DTXSID2021781
ERPathway2016 ERPathway2016_5 Dibutyl 1,2-benzenedicarboxylate 84-74-2 DTXSID2021781 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC Dibutyl 1,2-benzenedicarboxylate 84-74-2|Dibutyl 1,2-benzenedicarboxylate|1,2-Benzenedicarboxylic acid dibutyl ester|1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester|1,2-Benzenedicarboxylic acid, dibutyl ester|Benzene-o-dicarboxylic acid di-n-butyl ester|Benzenedicarboxylic acid dibutyl ester|Bis-n-butyl phthalate|BRN 1914064|Butyl phthalate|Caswell No. 292|Celluflex DPB|Corflex 440|DBP|DI-BUTYL PHTHALATE|Di-n-butyl phthalate|Di-n-butylester kyseliny ftalove|Di-n-butylorthophthalate|Di(n-butyl) 1,2-benzenedicarboxylate|Dibutilftalato|Dibutyl 1,2-benzenedicarboxylate|Dibutyl o-phthalate|Dibutyl phthalate|Dibutyl-o-phthalate|Dibutylphthalat|Dibutylphthalate|EINECS 201-557-4|EPA Pesticide Chemical Code 028001|Ergoplast FDB|Ersoplast FDA|ftalato de dibutilo|Genoplast B|Hatco DBP|Hatcol DBP|Hexaplas M/B|Kodaflex DBP|Monocizer DBP|n-Butyl phthalate|N-Butylphthalate|NSC 6370|o-Benzenedicarboxylic acid dibutyl ester|o-Benzenedicarboxylic acid, dibutyl ester|Palatinol C|Phtalate de dibutyle|PHTHALATE, BUTYL|Phthalate, di-n-butyl|PHTHALATE, DIBUTYL|Phthalate, dibutyl-|Phthalic acid di-n-butyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021781 https://doi.org/10.22427/NTP-DATA-DTXSID2021781
ARPathway2016 ARPathway2016_463 Dibutyl adipate 105-99-7 DTXSID2021866 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)CCCCC(=O)OCCCC Dibutyl adipate 105-99-7|Dibutyl adipate|Adimoll DB|Adipic acid di-n-butyl ester|Adipic acid, dibutyl ester|BRN 1790739|Butyl adipate|Cetiol B|Di-n-butyl adipate|Dibutyl hexanedioate|Dibutylester kyseliny adipove|EINECS 203-350-4|Experimental tick repellent 3|Experimental tick repellent 3PS|Hexanedioic acid, 1,6-dibutyl ester|Hexanedioic acid, dibutyl ester|Monocizer W 260|NSC 8086|Polycizer W 260|UNII-F4K100DXP3|Unitolate B https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021866
ARPathway2016 ARPathway2016_463 Dibutyl adipate 105-99-7 DTXSID2021866 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)CCCCC(=O)OCCCC Dibutyl adipate 105-99-7|Dibutyl adipate|Adimoll DB|Adipic acid di-n-butyl ester|Adipic acid, dibutyl ester|BRN 1790739|Butyl adipate|Cetiol B|Di-n-butyl adipate|Dibutyl hexanedioate|Dibutylester kyseliny adipove|EINECS 203-350-4|Experimental tick repellent 3|Experimental tick repellent 3PS|Hexanedioic acid, 1,6-dibutyl ester|Hexanedioic acid, dibutyl ester|Monocizer W 260|NSC 8086|Polycizer W 260|UNII-F4K100DXP3|Unitolate B https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021866
ARPathway2016 ARPathway2016_463 Dibutyl adipate 105-99-7 DTXSID2021866 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)CCCCC(=O)OCCCC Dibutyl adipate 105-99-7|Dibutyl adipate|Adimoll DB|Adipic acid di-n-butyl ester|Adipic acid, dibutyl ester|BRN 1790739|Butyl adipate|Cetiol B|Di-n-butyl adipate|Dibutyl hexanedioate|Dibutylester kyseliny adipove|EINECS 203-350-4|Experimental tick repellent 3|Experimental tick repellent 3PS|Hexanedioic acid, 1,6-dibutyl ester|Hexanedioic acid, dibutyl ester|Monocizer W 260|NSC 8086|Polycizer W 260|UNII-F4K100DXP3|Unitolate B https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021866
ARPathway2016 ARPathway2016_463 Dibutyl adipate 105-99-7 DTXSID2021866 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)CCCCC(=O)OCCCC Dibutyl adipate 105-99-7|Dibutyl adipate|Adimoll DB|Adipic acid di-n-butyl ester|Adipic acid, dibutyl ester|BRN 1790739|Butyl adipate|Cetiol B|Di-n-butyl adipate|Dibutyl hexanedioate|Dibutylester kyseliny adipove|EINECS 203-350-4|Experimental tick repellent 3|Experimental tick repellent 3PS|Hexanedioic acid, 1,6-dibutyl ester|Hexanedioic acid, dibutyl ester|Monocizer W 260|NSC 8086|Polycizer W 260|UNII-F4K100DXP3|Unitolate B https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021866
ERPathway2016 ERPathway2016_827 Dibutyl adipate 105-99-7 DTXSID2021866 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)CCCCC(=O)OCCCC Dibutyl adipate 105-99-7|Dibutyl adipate|Adimoll DB|Adipic acid di-n-butyl ester|Adipic acid, dibutyl ester|BRN 1790739|Butyl adipate|Cetiol B|Di-n-butyl adipate|Dibutyl hexanedioate|Dibutylester kyseliny adipove|EINECS 203-350-4|Experimental tick repellent 3|Experimental tick repellent 3PS|Hexanedioic acid, 1,6-dibutyl ester|Hexanedioic acid, dibutyl ester|Monocizer W 260|NSC 8086|Polycizer W 260|UNII-F4K100DXP3|Unitolate B https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021866
ERPathway2016 ERPathway2016_827 Dibutyl adipate 105-99-7 DTXSID2021866 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)CCCCC(=O)OCCCC Dibutyl adipate 105-99-7|Dibutyl adipate|Adimoll DB|Adipic acid di-n-butyl ester|Adipic acid, dibutyl ester|BRN 1790739|Butyl adipate|Cetiol B|Di-n-butyl adipate|Dibutyl hexanedioate|Dibutylester kyseliny adipove|EINECS 203-350-4|Experimental tick repellent 3|Experimental tick repellent 3PS|Hexanedioic acid, 1,6-dibutyl ester|Hexanedioic acid, dibutyl ester|Monocizer W 260|NSC 8086|Polycizer W 260|UNII-F4K100DXP3|Unitolate B https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021866
ERPathway2016 ERPathway2016_827 Dibutyl adipate 105-99-7 DTXSID2021866 ER Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)CCCCC(=O)OCCCC Dibutyl adipate 105-99-7|Dibutyl adipate|Adimoll DB|Adipic acid di-n-butyl ester|Adipic acid, dibutyl ester|BRN 1790739|Butyl adipate|Cetiol B|Di-n-butyl adipate|Dibutyl hexanedioate|Dibutylester kyseliny adipove|EINECS 203-350-4|Experimental tick repellent 3|Experimental tick repellent 3PS|Hexanedioic acid, 1,6-dibutyl ester|Hexanedioic acid, dibutyl ester|Monocizer W 260|NSC 8086|Polycizer W 260|UNII-F4K100DXP3|Unitolate B https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021866
ERPathway2016 ERPathway2016_827 Dibutyl adipate 105-99-7 DTXSID2021866 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)CCCCC(=O)OCCCC Dibutyl adipate 105-99-7|Dibutyl adipate|Adimoll DB|Adipic acid di-n-butyl ester|Adipic acid, dibutyl ester|BRN 1790739|Butyl adipate|Cetiol B|Di-n-butyl adipate|Dibutyl hexanedioate|Dibutylester kyseliny adipove|EINECS 203-350-4|Experimental tick repellent 3|Experimental tick repellent 3PS|Hexanedioic acid, 1,6-dibutyl ester|Hexanedioic acid, dibutyl ester|Monocizer W 260|NSC 8086|Polycizer W 260|UNII-F4K100DXP3|Unitolate B https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021866
ARPathway2016 ARPathway2016_1109 Dibutyl azelate 2917-73-9 DTXSID5044815 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)CCCCCCCC(=O)OCCCC Dibutyl azelate 2917-73-9|Dibutyl azelate|1,9-Di-n-butyl nonanedioate|Azelaic acid, dibutyl ester|Dibutyl azelaate|Dibutyl nonanedioate|EINECS 220-850-8|Ergoplast AZDB|Nonanedioic acid, 1,9-dibutyl ester|Nonanedioic acid, dibutyl ester|NSC 93294 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044815
ARPathway2016 ARPathway2016_1109 Dibutyl azelate 2917-73-9 DTXSID5044815 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)CCCCCCCC(=O)OCCCC Dibutyl azelate 2917-73-9|Dibutyl azelate|1,9-Di-n-butyl nonanedioate|Azelaic acid, dibutyl ester|Dibutyl azelaate|Dibutyl nonanedioate|EINECS 220-850-8|Ergoplast AZDB|Nonanedioic acid, 1,9-dibutyl ester|Nonanedioic acid, dibutyl ester|NSC 93294 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044815
ARPathway2016 ARPathway2016_1109 Dibutyl azelate 2917-73-9 DTXSID5044815 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)CCCCCCCC(=O)OCCCC Dibutyl azelate 2917-73-9|Dibutyl azelate|1,9-Di-n-butyl nonanedioate|Azelaic acid, dibutyl ester|Dibutyl azelaate|Dibutyl nonanedioate|EINECS 220-850-8|Ergoplast AZDB|Nonanedioic acid, 1,9-dibutyl ester|Nonanedioic acid, dibutyl ester|NSC 93294 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044815
ARPathway2016 ARPathway2016_1109 Dibutyl azelate 2917-73-9 DTXSID5044815 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)CCCCCCCC(=O)OCCCC Dibutyl azelate 2917-73-9|Dibutyl azelate|1,9-Di-n-butyl nonanedioate|Azelaic acid, dibutyl ester|Dibutyl azelaate|Dibutyl nonanedioate|EINECS 220-850-8|Ergoplast AZDB|Nonanedioic acid, 1,9-dibutyl ester|Nonanedioic acid, dibutyl ester|NSC 93294 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044815
ERPathway2016 ERPathway2016_1432 Dibutyl azelate 2917-73-9 DTXSID5044815 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)CCCCCCCC(=O)OCCCC Dibutyl azelate 2917-73-9|Dibutyl azelate|1,9-Di-n-butyl nonanedioate|Azelaic acid, dibutyl ester|Dibutyl azelaate|Dibutyl nonanedioate|EINECS 220-850-8|Ergoplast AZDB|Nonanedioic acid, 1,9-dibutyl ester|Nonanedioic acid, dibutyl ester|NSC 93294 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044815
ERPathway2016 ERPathway2016_1432 Dibutyl azelate 2917-73-9 DTXSID5044815 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)CCCCCCCC(=O)OCCCC Dibutyl azelate 2917-73-9|Dibutyl azelate|1,9-Di-n-butyl nonanedioate|Azelaic acid, dibutyl ester|Dibutyl azelaate|Dibutyl nonanedioate|EINECS 220-850-8|Ergoplast AZDB|Nonanedioic acid, 1,9-dibutyl ester|Nonanedioic acid, dibutyl ester|NSC 93294 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044815
ERPathway2016 ERPathway2016_1432 Dibutyl azelate 2917-73-9 DTXSID5044815 ER Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)CCCCCCCC(=O)OCCCC Dibutyl azelate 2917-73-9|Dibutyl azelate|1,9-Di-n-butyl nonanedioate|Azelaic acid, dibutyl ester|Dibutyl azelaate|Dibutyl nonanedioate|EINECS 220-850-8|Ergoplast AZDB|Nonanedioic acid, 1,9-dibutyl ester|Nonanedioic acid, dibutyl ester|NSC 93294 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044815
ERPathway2016 ERPathway2016_1432 Dibutyl azelate 2917-73-9 DTXSID5044815 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)CCCCCCCC(=O)OCCCC Dibutyl azelate 2917-73-9|Dibutyl azelate|1,9-Di-n-butyl nonanedioate|Azelaic acid, dibutyl ester|Dibutyl azelaate|Dibutyl nonanedioate|EINECS 220-850-8|Ergoplast AZDB|Nonanedioic acid, 1,9-dibutyl ester|Nonanedioic acid, dibutyl ester|NSC 93294 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044815
ARPathway2016 ARPathway2016_527 Dibutyl decanedioate 109-43-3 DTXSID1041847 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)CCCCCCCCC(=O)OCCCC Dibutyl decanedioate 109-43-3|Dibutyl decanedioate|4-02-00-02081|Bis(n-butyl) sebacate|Bis(n-butyl)sebacate|BRN 1798308|Butyl sebacate|DECANEDIOATE, DIBUTYL|Decanedioic acid dibutyl ester|Decanedioic acid, 1,10-dibutyl ester|Decanedioic acid, dibutyl ester|Di-n-Butyl sebacate|Di-n-butylsebacate|Dibutyl 1,8-octanedicarboxylate|Dibutyl sebacate|Dibutyl sebacinate|Dibutylester kyseliny sebakove|Dibutylsebacat|EINECS 203-672-5|Ergoplast SDB|FEMA No. 2373|Kodaflex DBS|Monoplex DBS|NSC 3893|Polycizer DBS|Reomol DBS|Sebacate de dibutyle|sebacato de dibutilo|Sebacic acid di-n-butyl ester|Sebacic acid, dibutyl ester|SEBACINSAEURE-DIBUTYLESTER|Staflex DBS|Uniflex DBS|UNII-4W5IH7FLNY|39393-66-3|98781-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041847
ARPathway2016 ARPathway2016_527 Dibutyl decanedioate 109-43-3 DTXSID1041847 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)CCCCCCCCC(=O)OCCCC Dibutyl decanedioate 109-43-3|Dibutyl decanedioate|4-02-00-02081|Bis(n-butyl) sebacate|Bis(n-butyl)sebacate|BRN 1798308|Butyl sebacate|DECANEDIOATE, DIBUTYL|Decanedioic acid dibutyl ester|Decanedioic acid, 1,10-dibutyl ester|Decanedioic acid, dibutyl ester|Di-n-Butyl sebacate|Di-n-butylsebacate|Dibutyl 1,8-octanedicarboxylate|Dibutyl sebacate|Dibutyl sebacinate|Dibutylester kyseliny sebakove|Dibutylsebacat|EINECS 203-672-5|Ergoplast SDB|FEMA No. 2373|Kodaflex DBS|Monoplex DBS|NSC 3893|Polycizer DBS|Reomol DBS|Sebacate de dibutyle|sebacato de dibutilo|Sebacic acid di-n-butyl ester|Sebacic acid, dibutyl ester|SEBACINSAEURE-DIBUTYLESTER|Staflex DBS|Uniflex DBS|UNII-4W5IH7FLNY|39393-66-3|98781-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041847
ARPathway2016 ARPathway2016_527 Dibutyl decanedioate 109-43-3 DTXSID1041847 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)CCCCCCCCC(=O)OCCCC Dibutyl decanedioate 109-43-3|Dibutyl decanedioate|4-02-00-02081|Bis(n-butyl) sebacate|Bis(n-butyl)sebacate|BRN 1798308|Butyl sebacate|DECANEDIOATE, DIBUTYL|Decanedioic acid dibutyl ester|Decanedioic acid, 1,10-dibutyl ester|Decanedioic acid, dibutyl ester|Di-n-Butyl sebacate|Di-n-butylsebacate|Dibutyl 1,8-octanedicarboxylate|Dibutyl sebacate|Dibutyl sebacinate|Dibutylester kyseliny sebakove|Dibutylsebacat|EINECS 203-672-5|Ergoplast SDB|FEMA No. 2373|Kodaflex DBS|Monoplex DBS|NSC 3893|Polycizer DBS|Reomol DBS|Sebacate de dibutyle|sebacato de dibutilo|Sebacic acid di-n-butyl ester|Sebacic acid, dibutyl ester|SEBACINSAEURE-DIBUTYLESTER|Staflex DBS|Uniflex DBS|UNII-4W5IH7FLNY|39393-66-3|98781-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041847
ARPathway2016 ARPathway2016_527 Dibutyl decanedioate 109-43-3 DTXSID1041847 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)CCCCCCCCC(=O)OCCCC Dibutyl decanedioate 109-43-3|Dibutyl decanedioate|4-02-00-02081|Bis(n-butyl) sebacate|Bis(n-butyl)sebacate|BRN 1798308|Butyl sebacate|DECANEDIOATE, DIBUTYL|Decanedioic acid dibutyl ester|Decanedioic acid, 1,10-dibutyl ester|Decanedioic acid, dibutyl ester|Di-n-Butyl sebacate|Di-n-butylsebacate|Dibutyl 1,8-octanedicarboxylate|Dibutyl sebacate|Dibutyl sebacinate|Dibutylester kyseliny sebakove|Dibutylsebacat|EINECS 203-672-5|Ergoplast SDB|FEMA No. 2373|Kodaflex DBS|Monoplex DBS|NSC 3893|Polycizer DBS|Reomol DBS|Sebacate de dibutyle|sebacato de dibutilo|Sebacic acid di-n-butyl ester|Sebacic acid, dibutyl ester|SEBACINSAEURE-DIBUTYLESTER|Staflex DBS|Uniflex DBS|UNII-4W5IH7FLNY|39393-66-3|98781-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041847
ERPathway2016 ERPathway2016_1123 Dibutyl decanedioate 109-43-3 DTXSID1041847 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)CCCCCCCCC(=O)OCCCC Dibutyl decanedioate 109-43-3|Dibutyl decanedioate|4-02-00-02081|Bis(n-butyl) sebacate|Bis(n-butyl)sebacate|BRN 1798308|Butyl sebacate|DECANEDIOATE, DIBUTYL|Decanedioic acid dibutyl ester|Decanedioic acid, 1,10-dibutyl ester|Decanedioic acid, dibutyl ester|Di-n-Butyl sebacate|Di-n-butylsebacate|Dibutyl 1,8-octanedicarboxylate|Dibutyl sebacate|Dibutyl sebacinate|Dibutylester kyseliny sebakove|Dibutylsebacat|EINECS 203-672-5|Ergoplast SDB|FEMA No. 2373|Kodaflex DBS|Monoplex DBS|NSC 3893|Polycizer DBS|Reomol DBS|Sebacate de dibutyle|sebacato de dibutilo|Sebacic acid di-n-butyl ester|Sebacic acid, dibutyl ester|SEBACINSAEURE-DIBUTYLESTER|Staflex DBS|Uniflex DBS|UNII-4W5IH7FLNY|39393-66-3|98781-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041847
ERPathway2016 ERPathway2016_1123 Dibutyl decanedioate 109-43-3 DTXSID1041847 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)CCCCCCCCC(=O)OCCCC Dibutyl decanedioate 109-43-3|Dibutyl decanedioate|4-02-00-02081|Bis(n-butyl) sebacate|Bis(n-butyl)sebacate|BRN 1798308|Butyl sebacate|DECANEDIOATE, DIBUTYL|Decanedioic acid dibutyl ester|Decanedioic acid, 1,10-dibutyl ester|Decanedioic acid, dibutyl ester|Di-n-Butyl sebacate|Di-n-butylsebacate|Dibutyl 1,8-octanedicarboxylate|Dibutyl sebacate|Dibutyl sebacinate|Dibutylester kyseliny sebakove|Dibutylsebacat|EINECS 203-672-5|Ergoplast SDB|FEMA No. 2373|Kodaflex DBS|Monoplex DBS|NSC 3893|Polycizer DBS|Reomol DBS|Sebacate de dibutyle|sebacato de dibutilo|Sebacic acid di-n-butyl ester|Sebacic acid, dibutyl ester|SEBACINSAEURE-DIBUTYLESTER|Staflex DBS|Uniflex DBS|UNII-4W5IH7FLNY|39393-66-3|98781-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041847
ERPathway2016 ERPathway2016_1123 Dibutyl decanedioate 109-43-3 DTXSID1041847 ER Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)CCCCCCCCC(=O)OCCCC Dibutyl decanedioate 109-43-3|Dibutyl decanedioate|4-02-00-02081|Bis(n-butyl) sebacate|Bis(n-butyl)sebacate|BRN 1798308|Butyl sebacate|DECANEDIOATE, DIBUTYL|Decanedioic acid dibutyl ester|Decanedioic acid, 1,10-dibutyl ester|Decanedioic acid, dibutyl ester|Di-n-Butyl sebacate|Di-n-butylsebacate|Dibutyl 1,8-octanedicarboxylate|Dibutyl sebacate|Dibutyl sebacinate|Dibutylester kyseliny sebakove|Dibutylsebacat|EINECS 203-672-5|Ergoplast SDB|FEMA No. 2373|Kodaflex DBS|Monoplex DBS|NSC 3893|Polycizer DBS|Reomol DBS|Sebacate de dibutyle|sebacato de dibutilo|Sebacic acid di-n-butyl ester|Sebacic acid, dibutyl ester|SEBACINSAEURE-DIBUTYLESTER|Staflex DBS|Uniflex DBS|UNII-4W5IH7FLNY|39393-66-3|98781-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041847
ERPathway2016 ERPathway2016_1123 Dibutyl decanedioate 109-43-3 DTXSID1041847 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)CCCCCCCCC(=O)OCCCC Dibutyl decanedioate 109-43-3|Dibutyl decanedioate|4-02-00-02081|Bis(n-butyl) sebacate|Bis(n-butyl)sebacate|BRN 1798308|Butyl sebacate|DECANEDIOATE, DIBUTYL|Decanedioic acid dibutyl ester|Decanedioic acid, 1,10-dibutyl ester|Decanedioic acid, dibutyl ester|Di-n-Butyl sebacate|Di-n-butylsebacate|Dibutyl 1,8-octanedicarboxylate|Dibutyl sebacate|Dibutyl sebacinate|Dibutylester kyseliny sebakove|Dibutylsebacat|EINECS 203-672-5|Ergoplast SDB|FEMA No. 2373|Kodaflex DBS|Monoplex DBS|NSC 3893|Polycizer DBS|Reomol DBS|Sebacate de dibutyle|sebacato de dibutilo|Sebacic acid di-n-butyl ester|Sebacic acid, dibutyl ester|SEBACINSAEURE-DIBUTYLESTER|Staflex DBS|Uniflex DBS|UNII-4W5IH7FLNY|39393-66-3|98781-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041847
ARPathway2016 ARPathway2016_250 Dibutyltin dichloride 683-18-1 DTXSID8027292 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 4.767528763 uM [Cl-].[Cl-].CCCC[Sn++]CCCC Dibutyltin dichloride 683-18-1|Dibutyltin dichloride|(DBTC)|Chlorid di-n-butylcinicity|DBTC|Di-n-butyl-zinn-dichlorid|Di-n-butyltin dichloride|Di-n-butyltin(II) chloride|Dibutyl dichloro tin|DIBUTYL TIN DICHLORIDE|DIBUTYL-ZINN-DICHLORID|Dibutyldichlorostannane|Dibutyldichlorotin|Dibutylstannium dichloride|Dibutyltin chloride|Dibutyltin(IV) dichloride|Dibutylzinndichlorid|Dichlorobis(dibutyl)tin|Dichlorodibutylstannane|Dichlorodibutyltin|dichlorure de dibutyletain|Dichlorure de dibutylstannane|dicloruro de dibutilestano|EINECS 211-670-0|KC 1A1|NSC 2604|Stannane, dibutyldichloro-|Tin, dibutyl-, dichloride|UNII-J4AQN88R8P https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027292
ARPathway2016 ARPathway2016_250 Dibutyltin dichloride 683-18-1 DTXSID8027292 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 0.756063286 uM [Cl-].[Cl-].CCCC[Sn++]CCCC Dibutyltin dichloride 683-18-1|Dibutyltin dichloride|(DBTC)|Chlorid di-n-butylcinicity|DBTC|Di-n-butyl-zinn-dichlorid|Di-n-butyltin dichloride|Di-n-butyltin(II) chloride|Dibutyl dichloro tin|DIBUTYL TIN DICHLORIDE|DIBUTYL-ZINN-DICHLORID|Dibutyldichlorostannane|Dibutyldichlorotin|Dibutylstannium dichloride|Dibutyltin chloride|Dibutyltin(IV) dichloride|Dibutylzinndichlorid|Dichlorobis(dibutyl)tin|Dichlorodibutylstannane|Dichlorodibutyltin|dichlorure de dibutyletain|Dichlorure de dibutylstannane|dicloruro de dibutilestano|EINECS 211-670-0|KC 1A1|NSC 2604|Stannane, dibutyldichloro-|Tin, dibutyl-, dichloride|UNII-J4AQN88R8P https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027292
ARPathway2016 ARPathway2016_250 Dibutyltin dichloride 683-18-1 DTXSID8027292 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.551 Unitless [Cl-].[Cl-].CCCC[Sn++]CCCC Dibutyltin dichloride 683-18-1|Dibutyltin dichloride|(DBTC)|Chlorid di-n-butylcinicity|DBTC|Di-n-butyl-zinn-dichlorid|Di-n-butyltin dichloride|Di-n-butyltin(II) chloride|Dibutyl dichloro tin|DIBUTYL TIN DICHLORIDE|DIBUTYL-ZINN-DICHLORID|Dibutyldichlorostannane|Dibutyldichlorotin|Dibutylstannium dichloride|Dibutyltin chloride|Dibutyltin(IV) dichloride|Dibutylzinndichlorid|Dichlorobis(dibutyl)tin|Dichlorodibutylstannane|Dichlorodibutyltin|dichlorure de dibutyletain|Dichlorure de dibutylstannane|dicloruro de dibutilestano|EINECS 211-670-0|KC 1A1|NSC 2604|Stannane, dibutyldichloro-|Tin, dibutyl-, dichloride|UNII-J4AQN88R8P https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027292
ARPathway2016 ARPathway2016_250 Dibutyltin dichloride 683-18-1 DTXSID8027292 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [Cl-].[Cl-].CCCC[Sn++]CCCC Dibutyltin dichloride 683-18-1|Dibutyltin dichloride|(DBTC)|Chlorid di-n-butylcinicity|DBTC|Di-n-butyl-zinn-dichlorid|Di-n-butyltin dichloride|Di-n-butyltin(II) chloride|Dibutyl dichloro tin|DIBUTYL TIN DICHLORIDE|DIBUTYL-ZINN-DICHLORID|Dibutyldichlorostannane|Dibutyldichlorotin|Dibutylstannium dichloride|Dibutyltin chloride|Dibutyltin(IV) dichloride|Dibutylzinndichlorid|Dichlorobis(dibutyl)tin|Dichlorodibutylstannane|Dichlorodibutyltin|dichlorure de dibutyletain|Dichlorure de dibutylstannane|dicloruro de dibutilestano|EINECS 211-670-0|KC 1A1|NSC 2604|Stannane, dibutyldichloro-|Tin, dibutyl-, dichloride|UNII-J4AQN88R8P https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027292
ARPathway2016 ARPathway2016_250 Dibutyltin dichloride 683-18-1 DTXSID8027292 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Cl-].[Cl-].CCCC[Sn++]CCCC Dibutyltin dichloride 683-18-1|Dibutyltin dichloride|(DBTC)|Chlorid di-n-butylcinicity|DBTC|Di-n-butyl-zinn-dichlorid|Di-n-butyltin dichloride|Di-n-butyltin(II) chloride|Dibutyl dichloro tin|DIBUTYL TIN DICHLORIDE|DIBUTYL-ZINN-DICHLORID|Dibutyldichlorostannane|Dibutyldichlorotin|Dibutylstannium dichloride|Dibutyltin chloride|Dibutyltin(IV) dichloride|Dibutylzinndichlorid|Dichlorobis(dibutyl)tin|Dichlorodibutylstannane|Dichlorodibutyltin|dichlorure de dibutyletain|Dichlorure de dibutylstannane|dicloruro de dibutilestano|EINECS 211-670-0|KC 1A1|NSC 2604|Stannane, dibutyldichloro-|Tin, dibutyl-, dichloride|UNII-J4AQN88R8P https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027292
ARPathway2016 ARPathway2016_250 Dibutyltin dichloride 683-18-1 DTXSID8027292 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].[Cl-].CCCC[Sn++]CCCC Dibutyltin dichloride 683-18-1|Dibutyltin dichloride|(DBTC)|Chlorid di-n-butylcinicity|DBTC|Di-n-butyl-zinn-dichlorid|Di-n-butyltin dichloride|Di-n-butyltin(II) chloride|Dibutyl dichloro tin|DIBUTYL TIN DICHLORIDE|DIBUTYL-ZINN-DICHLORID|Dibutyldichlorostannane|Dibutyldichlorotin|Dibutylstannium dichloride|Dibutyltin chloride|Dibutyltin(IV) dichloride|Dibutylzinndichlorid|Dichlorobis(dibutyl)tin|Dichlorodibutylstannane|Dichlorodibutyltin|dichlorure de dibutyletain|Dichlorure de dibutylstannane|dicloruro de dibutilestano|EINECS 211-670-0|KC 1A1|NSC 2604|Stannane, dibutyldichloro-|Tin, dibutyl-, dichloride|UNII-J4AQN88R8P https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027292
ERPathway2016 ERPathway2016_69 Dibutyltin dichloride 683-18-1 DTXSID8027292 Antagonist ER Pathway Model, Agonist AC50 2.81696743043562 uM [Cl-].[Cl-].CCCC[Sn++]CCCC Dibutyltin dichloride 683-18-1|Dibutyltin dichloride|(DBTC)|Chlorid di-n-butylcinicity|DBTC|Di-n-butyl-zinn-dichlorid|Di-n-butyltin dichloride|Di-n-butyltin(II) chloride|Dibutyl dichloro tin|DIBUTYL TIN DICHLORIDE|DIBUTYL-ZINN-DICHLORID|Dibutyldichlorostannane|Dibutyldichlorotin|Dibutylstannium dichloride|Dibutyltin chloride|Dibutyltin(IV) dichloride|Dibutylzinndichlorid|Dichlorobis(dibutyl)tin|Dichlorodibutylstannane|Dichlorodibutyltin|dichlorure de dibutyletain|Dichlorure de dibutylstannane|dicloruro de dibutilestano|EINECS 211-670-0|KC 1A1|NSC 2604|Stannane, dibutyldichloro-|Tin, dibutyl-, dichloride|UNII-J4AQN88R8P https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027292
ERPathway2016 ERPathway2016_69 Dibutyltin dichloride 683-18-1 DTXSID8027292 Antagonist ER Pathway Model, Agonist ACC 2.21711421915809 uM [Cl-].[Cl-].CCCC[Sn++]CCCC Dibutyltin dichloride 683-18-1|Dibutyltin dichloride|(DBTC)|Chlorid di-n-butylcinicity|DBTC|Di-n-butyl-zinn-dichlorid|Di-n-butyltin dichloride|Di-n-butyltin(II) chloride|Dibutyl dichloro tin|DIBUTYL TIN DICHLORIDE|DIBUTYL-ZINN-DICHLORID|Dibutyldichlorostannane|Dibutyldichlorotin|Dibutylstannium dichloride|Dibutyltin chloride|Dibutyltin(IV) dichloride|Dibutylzinndichlorid|Dichlorobis(dibutyl)tin|Dichlorodibutylstannane|Dichlorodibutyltin|dichlorure de dibutyletain|Dichlorure de dibutylstannane|dicloruro de dibutilestano|EINECS 211-670-0|KC 1A1|NSC 2604|Stannane, dibutyldichloro-|Tin, dibutyl-, dichloride|UNII-J4AQN88R8P https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027292
ERPathway2016 ERPathway2016_69 Dibutyltin dichloride 683-18-1 DTXSID8027292 Antagonist ER Pathway Model, Agonist Model Score 0 Unitless [Cl-].[Cl-].CCCC[Sn++]CCCC Dibutyltin dichloride 683-18-1|Dibutyltin dichloride|(DBTC)|Chlorid di-n-butylcinicity|DBTC|Di-n-butyl-zinn-dichlorid|Di-n-butyltin dichloride|Di-n-butyltin(II) chloride|Dibutyl dichloro tin|DIBUTYL TIN DICHLORIDE|DIBUTYL-ZINN-DICHLORID|Dibutyldichlorostannane|Dibutyldichlorotin|Dibutylstannium dichloride|Dibutyltin chloride|Dibutyltin(IV) dichloride|Dibutylzinndichlorid|Dichlorobis(dibutyl)tin|Dichlorodibutylstannane|Dichlorodibutyltin|dichlorure de dibutyletain|Dichlorure de dibutylstannane|dicloruro de dibutilestano|EINECS 211-670-0|KC 1A1|NSC 2604|Stannane, dibutyldichloro-|Tin, dibutyl-, dichloride|UNII-J4AQN88R8P https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027292
ERPathway2016 ERPathway2016_69 Dibutyltin dichloride 683-18-1 DTXSID8027292 Antagonist ER Pathway Model, Antagonist Model Score 0.222 Unitless [Cl-].[Cl-].CCCC[Sn++]CCCC Dibutyltin dichloride 683-18-1|Dibutyltin dichloride|(DBTC)|Chlorid di-n-butylcinicity|DBTC|Di-n-butyl-zinn-dichlorid|Di-n-butyltin dichloride|Di-n-butyltin(II) chloride|Dibutyl dichloro tin|DIBUTYL TIN DICHLORIDE|DIBUTYL-ZINN-DICHLORID|Dibutyldichlorostannane|Dibutyldichlorotin|Dibutylstannium dichloride|Dibutyltin chloride|Dibutyltin(IV) dichloride|Dibutylzinndichlorid|Dichlorobis(dibutyl)tin|Dichlorodibutylstannane|Dichlorodibutyltin|dichlorure de dibutyletain|Dichlorure de dibutylstannane|dicloruro de dibutilestano|EINECS 211-670-0|KC 1A1|NSC 2604|Stannane, dibutyldichloro-|Tin, dibutyl-, dichloride|UNII-J4AQN88R8P https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027292
ERPathway2016 ERPathway2016_69 Dibutyltin dichloride 683-18-1 DTXSID8027292 Antagonist ER Pathway Model, Agonist Call Active Unitless [Cl-].[Cl-].CCCC[Sn++]CCCC Dibutyltin dichloride 683-18-1|Dibutyltin dichloride|(DBTC)|Chlorid di-n-butylcinicity|DBTC|Di-n-butyl-zinn-dichlorid|Di-n-butyltin dichloride|Di-n-butyltin(II) chloride|Dibutyl dichloro tin|DIBUTYL TIN DICHLORIDE|DIBUTYL-ZINN-DICHLORID|Dibutyldichlorostannane|Dibutyldichlorotin|Dibutylstannium dichloride|Dibutyltin chloride|Dibutyltin(IV) dichloride|Dibutylzinndichlorid|Dichlorobis(dibutyl)tin|Dichlorodibutylstannane|Dichlorodibutyltin|dichlorure de dibutyletain|Dichlorure de dibutylstannane|dicloruro de dibutilestano|EINECS 211-670-0|KC 1A1|NSC 2604|Stannane, dibutyldichloro-|Tin, dibutyl-, dichloride|UNII-J4AQN88R8P https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027292
ERPathway2016 ERPathway2016_69 Dibutyltin dichloride 683-18-1 DTXSID8027292 Antagonist ER Pathway Model, Antagonist Call Inactive Unitless [Cl-].[Cl-].CCCC[Sn++]CCCC Dibutyltin dichloride 683-18-1|Dibutyltin dichloride|(DBTC)|Chlorid di-n-butylcinicity|DBTC|Di-n-butyl-zinn-dichlorid|Di-n-butyltin dichloride|Di-n-butyltin(II) chloride|Dibutyl dichloro tin|DIBUTYL TIN DICHLORIDE|DIBUTYL-ZINN-DICHLORID|Dibutyldichlorostannane|Dibutyldichlorotin|Dibutylstannium dichloride|Dibutyltin chloride|Dibutyltin(IV) dichloride|Dibutylzinndichlorid|Dichlorobis(dibutyl)tin|Dichlorodibutylstannane|Dichlorodibutyltin|dichlorure de dibutyletain|Dichlorure de dibutylstannane|dicloruro de dibutilestano|EINECS 211-670-0|KC 1A1|NSC 2604|Stannane, dibutyldichloro-|Tin, dibutyl-, dichloride|UNII-J4AQN88R8P https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027292
ARPathway2016 ARPathway2016_961 Dicamba 1918-00-9 DTXSID4024018 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=C(Cl)C=CC(Cl)=C1C(O)=O Dicamba 1918-00-9|Dicamba|2-Methoxy-3,6-dichlorobenzoic acid|2,5-Dichloro-6-methoxybenzoic acid|3,6-Dichloor-2-methoxy-benzoeizuur|3,6-Dichlor-3-methoxy-benzoesaeure|3,6-Dichloro-2-methoxybenzoic acid|3,6-Dichloro-o-anisic acid|Acido (3,6-dicloro-2-metossi)-benzoico|Banvel 70WP|Banvel CST|Banvel herbicide|Banvel II herbicide|Banvel SGF|BAS183 22 H)|Benzoic acid, 3,6-dichloro-2-methoxy-|BRN 2453039|Brush buster|Caswell No. 295|CGA 57706|Compound B dicamba|Dicamba acid|EINECS 217-635-6|EPA Pesticide Chemical Code 029801|Kyselina 3,6-dichlor-2-methoxybenzoova|Mediben|o-Anisic acid, 3,6-dichloro-|SAN 837 H|SAN837|UN 2769|UNII-SJG3M6RY6H|Velsicol 58-CS-11|Velsicol 58CS11|Velsicol compound "R"|Velsicol compound R|62610-39-3|856565-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024018
ARPathway2016 ARPathway2016_961 Dicamba 1918-00-9 DTXSID4024018 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=C(Cl)C=CC(Cl)=C1C(O)=O Dicamba 1918-00-9|Dicamba|2-Methoxy-3,6-dichlorobenzoic acid|2,5-Dichloro-6-methoxybenzoic acid|3,6-Dichloor-2-methoxy-benzoeizuur|3,6-Dichlor-3-methoxy-benzoesaeure|3,6-Dichloro-2-methoxybenzoic acid|3,6-Dichloro-o-anisic acid|Acido (3,6-dicloro-2-metossi)-benzoico|Banvel 70WP|Banvel CST|Banvel herbicide|Banvel II herbicide|Banvel SGF|BAS183 22 H)|Benzoic acid, 3,6-dichloro-2-methoxy-|BRN 2453039|Brush buster|Caswell No. 295|CGA 57706|Compound B dicamba|Dicamba acid|EINECS 217-635-6|EPA Pesticide Chemical Code 029801|Kyselina 3,6-dichlor-2-methoxybenzoova|Mediben|o-Anisic acid, 3,6-dichloro-|SAN 837 H|SAN837|UN 2769|UNII-SJG3M6RY6H|Velsicol 58-CS-11|Velsicol 58CS11|Velsicol compound "R"|Velsicol compound R|62610-39-3|856565-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024018
ARPathway2016 ARPathway2016_961 Dicamba 1918-00-9 DTXSID4024018 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=C(Cl)C=CC(Cl)=C1C(O)=O Dicamba 1918-00-9|Dicamba|2-Methoxy-3,6-dichlorobenzoic acid|2,5-Dichloro-6-methoxybenzoic acid|3,6-Dichloor-2-methoxy-benzoeizuur|3,6-Dichlor-3-methoxy-benzoesaeure|3,6-Dichloro-2-methoxybenzoic acid|3,6-Dichloro-o-anisic acid|Acido (3,6-dicloro-2-metossi)-benzoico|Banvel 70WP|Banvel CST|Banvel herbicide|Banvel II herbicide|Banvel SGF|BAS183 22 H)|Benzoic acid, 3,6-dichloro-2-methoxy-|BRN 2453039|Brush buster|Caswell No. 295|CGA 57706|Compound B dicamba|Dicamba acid|EINECS 217-635-6|EPA Pesticide Chemical Code 029801|Kyselina 3,6-dichlor-2-methoxybenzoova|Mediben|o-Anisic acid, 3,6-dichloro-|SAN 837 H|SAN837|UN 2769|UNII-SJG3M6RY6H|Velsicol 58-CS-11|Velsicol 58CS11|Velsicol compound "R"|Velsicol compound R|62610-39-3|856565-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024018
ARPathway2016 ARPathway2016_961 Dicamba 1918-00-9 DTXSID4024018 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=C(Cl)C=CC(Cl)=C1C(O)=O Dicamba 1918-00-9|Dicamba|2-Methoxy-3,6-dichlorobenzoic acid|2,5-Dichloro-6-methoxybenzoic acid|3,6-Dichloor-2-methoxy-benzoeizuur|3,6-Dichlor-3-methoxy-benzoesaeure|3,6-Dichloro-2-methoxybenzoic acid|3,6-Dichloro-o-anisic acid|Acido (3,6-dicloro-2-metossi)-benzoico|Banvel 70WP|Banvel CST|Banvel herbicide|Banvel II herbicide|Banvel SGF|BAS183 22 H)|Benzoic acid, 3,6-dichloro-2-methoxy-|BRN 2453039|Brush buster|Caswell No. 295|CGA 57706|Compound B dicamba|Dicamba acid|EINECS 217-635-6|EPA Pesticide Chemical Code 029801|Kyselina 3,6-dichlor-2-methoxybenzoova|Mediben|o-Anisic acid, 3,6-dichloro-|SAN 837 H|SAN837|UN 2769|UNII-SJG3M6RY6H|Velsicol 58-CS-11|Velsicol 58CS11|Velsicol compound "R"|Velsicol compound R|62610-39-3|856565-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024018
ERPathway2016 ERPathway2016_1361 Dicamba 1918-00-9 DTXSID4024018 ER Pathway Model, Agonist Model Score 0 Unitless COC1=C(Cl)C=CC(Cl)=C1C(O)=O Dicamba 1918-00-9|Dicamba|2-Methoxy-3,6-dichlorobenzoic acid|2,5-Dichloro-6-methoxybenzoic acid|3,6-Dichloor-2-methoxy-benzoeizuur|3,6-Dichlor-3-methoxy-benzoesaeure|3,6-Dichloro-2-methoxybenzoic acid|3,6-Dichloro-o-anisic acid|Acido (3,6-dicloro-2-metossi)-benzoico|Banvel 70WP|Banvel CST|Banvel herbicide|Banvel II herbicide|Banvel SGF|BAS183 22 H)|Benzoic acid, 3,6-dichloro-2-methoxy-|BRN 2453039|Brush buster|Caswell No. 295|CGA 57706|Compound B dicamba|Dicamba acid|EINECS 217-635-6|EPA Pesticide Chemical Code 029801|Kyselina 3,6-dichlor-2-methoxybenzoova|Mediben|o-Anisic acid, 3,6-dichloro-|SAN 837 H|SAN837|UN 2769|UNII-SJG3M6RY6H|Velsicol 58-CS-11|Velsicol 58CS11|Velsicol compound "R"|Velsicol compound R|62610-39-3|856565-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024018
ERPathway2016 ERPathway2016_1361 Dicamba 1918-00-9 DTXSID4024018 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=C(Cl)C=CC(Cl)=C1C(O)=O Dicamba 1918-00-9|Dicamba|2-Methoxy-3,6-dichlorobenzoic acid|2,5-Dichloro-6-methoxybenzoic acid|3,6-Dichloor-2-methoxy-benzoeizuur|3,6-Dichlor-3-methoxy-benzoesaeure|3,6-Dichloro-2-methoxybenzoic acid|3,6-Dichloro-o-anisic acid|Acido (3,6-dicloro-2-metossi)-benzoico|Banvel 70WP|Banvel CST|Banvel herbicide|Banvel II herbicide|Banvel SGF|BAS183 22 H)|Benzoic acid, 3,6-dichloro-2-methoxy-|BRN 2453039|Brush buster|Caswell No. 295|CGA 57706|Compound B dicamba|Dicamba acid|EINECS 217-635-6|EPA Pesticide Chemical Code 029801|Kyselina 3,6-dichlor-2-methoxybenzoova|Mediben|o-Anisic acid, 3,6-dichloro-|SAN 837 H|SAN837|UN 2769|UNII-SJG3M6RY6H|Velsicol 58-CS-11|Velsicol 58CS11|Velsicol compound "R"|Velsicol compound R|62610-39-3|856565-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024018
ERPathway2016 ERPathway2016_1361 Dicamba 1918-00-9 DTXSID4024018 ER Pathway Model, Agonist Call Inactive Unitless COC1=C(Cl)C=CC(Cl)=C1C(O)=O Dicamba 1918-00-9|Dicamba|2-Methoxy-3,6-dichlorobenzoic acid|2,5-Dichloro-6-methoxybenzoic acid|3,6-Dichloor-2-methoxy-benzoeizuur|3,6-Dichlor-3-methoxy-benzoesaeure|3,6-Dichloro-2-methoxybenzoic acid|3,6-Dichloro-o-anisic acid|Acido (3,6-dicloro-2-metossi)-benzoico|Banvel 70WP|Banvel CST|Banvel herbicide|Banvel II herbicide|Banvel SGF|BAS183 22 H)|Benzoic acid, 3,6-dichloro-2-methoxy-|BRN 2453039|Brush buster|Caswell No. 295|CGA 57706|Compound B dicamba|Dicamba acid|EINECS 217-635-6|EPA Pesticide Chemical Code 029801|Kyselina 3,6-dichlor-2-methoxybenzoova|Mediben|o-Anisic acid, 3,6-dichloro-|SAN 837 H|SAN837|UN 2769|UNII-SJG3M6RY6H|Velsicol 58-CS-11|Velsicol 58CS11|Velsicol compound "R"|Velsicol compound R|62610-39-3|856565-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024018
ERPathway2016 ERPathway2016_1361 Dicamba 1918-00-9 DTXSID4024018 ER Pathway Model, Antagonist Call Inactive Unitless COC1=C(Cl)C=CC(Cl)=C1C(O)=O Dicamba 1918-00-9|Dicamba|2-Methoxy-3,6-dichlorobenzoic acid|2,5-Dichloro-6-methoxybenzoic acid|3,6-Dichloor-2-methoxy-benzoeizuur|3,6-Dichlor-3-methoxy-benzoesaeure|3,6-Dichloro-2-methoxybenzoic acid|3,6-Dichloro-o-anisic acid|Acido (3,6-dicloro-2-metossi)-benzoico|Banvel 70WP|Banvel CST|Banvel herbicide|Banvel II herbicide|Banvel SGF|BAS183 22 H)|Benzoic acid, 3,6-dichloro-2-methoxy-|BRN 2453039|Brush buster|Caswell No. 295|CGA 57706|Compound B dicamba|Dicamba acid|EINECS 217-635-6|EPA Pesticide Chemical Code 029801|Kyselina 3,6-dichlor-2-methoxybenzoova|Mediben|o-Anisic acid, 3,6-dichloro-|SAN 837 H|SAN837|UN 2769|UNII-SJG3M6RY6H|Velsicol 58-CS-11|Velsicol 58CS11|Velsicol compound "R"|Velsicol compound R|62610-39-3|856565-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024018
ARPathway2016 ARPathway2016_29 Dichlone 117-80-6 DTXSID7020425 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 12.9709811769377 uM ClC1=C(Cl)C(=O)C2=C(C=CC=C2)C1=O Dichlone 117-80-6|Dichlone|1,4-Naphthalenedione, 2,3-dichloro-|1,4-Naphthoquinone, 2,3-dichloro-|2,3-Dichlor-1,4-naftochinon|2,3-Dichlor-1,4-naphthochinon|2,3-Dichloro-1,4-dihydro-1,4-dioxonaphthalene|2,3-Dichloro-1,4-naphthalenedione|2,3-Dichloro-1,4-naphthaquinone|2,3-Dichloro-1,4-naphthoquinone|2,3-Dichloronaphthoquinone|Algistat (quinone)|Caswell No. 298|Compound 604|Dichlon|Dichloronaphthoquinone|diclona|Diclone|EINECS 204-210-5|EPA Pesticide Chemical Code 029601|NAPHTHALENE-1,4-DIONE, 2,3-DICHLORO-|NSC 537|Phygon paste|Phygon seed protectant|Phygon XL|Quintar|Quintar 540F|Sanquinon|U.S. Rubber 604|UNII-C28BKZ2J9A|Uniroyal|US Rubber 604 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020425
ARPathway2016 ARPathway2016_29 Dichlone 117-80-6 DTXSID7020425 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 10.9149500595664 uM ClC1=C(Cl)C(=O)C2=C(C=CC=C2)C1=O Dichlone 117-80-6|Dichlone|1,4-Naphthalenedione, 2,3-dichloro-|1,4-Naphthoquinone, 2,3-dichloro-|2,3-Dichlor-1,4-naftochinon|2,3-Dichlor-1,4-naphthochinon|2,3-Dichloro-1,4-dihydro-1,4-dioxonaphthalene|2,3-Dichloro-1,4-naphthalenedione|2,3-Dichloro-1,4-naphthaquinone|2,3-Dichloro-1,4-naphthoquinone|2,3-Dichloronaphthoquinone|Algistat (quinone)|Caswell No. 298|Compound 604|Dichlon|Dichloronaphthoquinone|diclona|Diclone|EINECS 204-210-5|EPA Pesticide Chemical Code 029601|NAPHTHALENE-1,4-DIONE, 2,3-DICHLORO-|NSC 537|Phygon paste|Phygon seed protectant|Phygon XL|Quintar|Quintar 540F|Sanquinon|U.S. Rubber 604|UNII-C28BKZ2J9A|Uniroyal|US Rubber 604 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020425
ARPathway2016 ARPathway2016_29 Dichlone 117-80-6 DTXSID7020425 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.328 Unitless ClC1=C(Cl)C(=O)C2=C(C=CC=C2)C1=O Dichlone 117-80-6|Dichlone|1,4-Naphthalenedione, 2,3-dichloro-|1,4-Naphthoquinone, 2,3-dichloro-|2,3-Dichlor-1,4-naftochinon|2,3-Dichlor-1,4-naphthochinon|2,3-Dichloro-1,4-dihydro-1,4-dioxonaphthalene|2,3-Dichloro-1,4-naphthalenedione|2,3-Dichloro-1,4-naphthaquinone|2,3-Dichloro-1,4-naphthoquinone|2,3-Dichloronaphthoquinone|Algistat (quinone)|Caswell No. 298|Compound 604|Dichlon|Dichloronaphthoquinone|diclona|Diclone|EINECS 204-210-5|EPA Pesticide Chemical Code 029601|NAPHTHALENE-1,4-DIONE, 2,3-DICHLORO-|NSC 537|Phygon paste|Phygon seed protectant|Phygon XL|Quintar|Quintar 540F|Sanquinon|U.S. Rubber 604|UNII-C28BKZ2J9A|Uniroyal|US Rubber 604 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020425
ARPathway2016 ARPathway2016_29 Dichlone 117-80-6 DTXSID7020425 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC1=C(Cl)C(=O)C2=C(C=CC=C2)C1=O Dichlone 117-80-6|Dichlone|1,4-Naphthalenedione, 2,3-dichloro-|1,4-Naphthoquinone, 2,3-dichloro-|2,3-Dichlor-1,4-naftochinon|2,3-Dichlor-1,4-naphthochinon|2,3-Dichloro-1,4-dihydro-1,4-dioxonaphthalene|2,3-Dichloro-1,4-naphthalenedione|2,3-Dichloro-1,4-naphthaquinone|2,3-Dichloro-1,4-naphthoquinone|2,3-Dichloronaphthoquinone|Algistat (quinone)|Caswell No. 298|Compound 604|Dichlon|Dichloronaphthoquinone|diclona|Diclone|EINECS 204-210-5|EPA Pesticide Chemical Code 029601|NAPHTHALENE-1,4-DIONE, 2,3-DICHLORO-|NSC 537|Phygon paste|Phygon seed protectant|Phygon XL|Quintar|Quintar 540F|Sanquinon|U.S. Rubber 604|UNII-C28BKZ2J9A|Uniroyal|US Rubber 604 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020425
ARPathway2016 ARPathway2016_29 Dichlone 117-80-6 DTXSID7020425 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC1=C(Cl)C(=O)C2=C(C=CC=C2)C1=O Dichlone 117-80-6|Dichlone|1,4-Naphthalenedione, 2,3-dichloro-|1,4-Naphthoquinone, 2,3-dichloro-|2,3-Dichlor-1,4-naftochinon|2,3-Dichlor-1,4-naphthochinon|2,3-Dichloro-1,4-dihydro-1,4-dioxonaphthalene|2,3-Dichloro-1,4-naphthalenedione|2,3-Dichloro-1,4-naphthaquinone|2,3-Dichloro-1,4-naphthoquinone|2,3-Dichloronaphthoquinone|Algistat (quinone)|Caswell No. 298|Compound 604|Dichlon|Dichloronaphthoquinone|diclona|Diclone|EINECS 204-210-5|EPA Pesticide Chemical Code 029601|NAPHTHALENE-1,4-DIONE, 2,3-DICHLORO-|NSC 537|Phygon paste|Phygon seed protectant|Phygon XL|Quintar|Quintar 540F|Sanquinon|U.S. Rubber 604|UNII-C28BKZ2J9A|Uniroyal|US Rubber 604 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020425
ARPathway2016 ARPathway2016_29 Dichlone 117-80-6 DTXSID7020425 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC1=C(Cl)C(=O)C2=C(C=CC=C2)C1=O Dichlone 117-80-6|Dichlone|1,4-Naphthalenedione, 2,3-dichloro-|1,4-Naphthoquinone, 2,3-dichloro-|2,3-Dichlor-1,4-naftochinon|2,3-Dichlor-1,4-naphthochinon|2,3-Dichloro-1,4-dihydro-1,4-dioxonaphthalene|2,3-Dichloro-1,4-naphthalenedione|2,3-Dichloro-1,4-naphthaquinone|2,3-Dichloro-1,4-naphthoquinone|2,3-Dichloronaphthoquinone|Algistat (quinone)|Caswell No. 298|Compound 604|Dichlon|Dichloronaphthoquinone|diclona|Diclone|EINECS 204-210-5|EPA Pesticide Chemical Code 029601|NAPHTHALENE-1,4-DIONE, 2,3-DICHLORO-|NSC 537|Phygon paste|Phygon seed protectant|Phygon XL|Quintar|Quintar 540F|Sanquinon|U.S. Rubber 604|UNII-C28BKZ2J9A|Uniroyal|US Rubber 604 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020425
ERPathway2016 ERPathway2016_564 Dichlone 117-80-6 DTXSID7020425 R9 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=C(Cl)C(=O)C2=C(C=CC=C2)C1=O Dichlone 117-80-6|Dichlone|1,4-Naphthalenedione, 2,3-dichloro-|1,4-Naphthoquinone, 2,3-dichloro-|2,3-Dichlor-1,4-naftochinon|2,3-Dichlor-1,4-naphthochinon|2,3-Dichloro-1,4-dihydro-1,4-dioxonaphthalene|2,3-Dichloro-1,4-naphthalenedione|2,3-Dichloro-1,4-naphthaquinone|2,3-Dichloro-1,4-naphthoquinone|2,3-Dichloronaphthoquinone|Algistat (quinone)|Caswell No. 298|Compound 604|Dichlon|Dichloronaphthoquinone|diclona|Diclone|EINECS 204-210-5|EPA Pesticide Chemical Code 029601|NAPHTHALENE-1,4-DIONE, 2,3-DICHLORO-|NSC 537|Phygon paste|Phygon seed protectant|Phygon XL|Quintar|Quintar 540F|Sanquinon|U.S. Rubber 604|UNII-C28BKZ2J9A|Uniroyal|US Rubber 604 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020425
ERPathway2016 ERPathway2016_564 Dichlone 117-80-6 DTXSID7020425 R9 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=C(Cl)C(=O)C2=C(C=CC=C2)C1=O Dichlone 117-80-6|Dichlone|1,4-Naphthalenedione, 2,3-dichloro-|1,4-Naphthoquinone, 2,3-dichloro-|2,3-Dichlor-1,4-naftochinon|2,3-Dichlor-1,4-naphthochinon|2,3-Dichloro-1,4-dihydro-1,4-dioxonaphthalene|2,3-Dichloro-1,4-naphthalenedione|2,3-Dichloro-1,4-naphthaquinone|2,3-Dichloro-1,4-naphthoquinone|2,3-Dichloronaphthoquinone|Algistat (quinone)|Caswell No. 298|Compound 604|Dichlon|Dichloronaphthoquinone|diclona|Diclone|EINECS 204-210-5|EPA Pesticide Chemical Code 029601|NAPHTHALENE-1,4-DIONE, 2,3-DICHLORO-|NSC 537|Phygon paste|Phygon seed protectant|Phygon XL|Quintar|Quintar 540F|Sanquinon|U.S. Rubber 604|UNII-C28BKZ2J9A|Uniroyal|US Rubber 604 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020425
ERPathway2016 ERPathway2016_564 Dichlone 117-80-6 DTXSID7020425 R9 ER Pathway Model, Agonist Call Inactive Unitless ClC1=C(Cl)C(=O)C2=C(C=CC=C2)C1=O Dichlone 117-80-6|Dichlone|1,4-Naphthalenedione, 2,3-dichloro-|1,4-Naphthoquinone, 2,3-dichloro-|2,3-Dichlor-1,4-naftochinon|2,3-Dichlor-1,4-naphthochinon|2,3-Dichloro-1,4-dihydro-1,4-dioxonaphthalene|2,3-Dichloro-1,4-naphthalenedione|2,3-Dichloro-1,4-naphthaquinone|2,3-Dichloro-1,4-naphthoquinone|2,3-Dichloronaphthoquinone|Algistat (quinone)|Caswell No. 298|Compound 604|Dichlon|Dichloronaphthoquinone|diclona|Diclone|EINECS 204-210-5|EPA Pesticide Chemical Code 029601|NAPHTHALENE-1,4-DIONE, 2,3-DICHLORO-|NSC 537|Phygon paste|Phygon seed protectant|Phygon XL|Quintar|Quintar 540F|Sanquinon|U.S. Rubber 604|UNII-C28BKZ2J9A|Uniroyal|US Rubber 604 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020425
ERPathway2016 ERPathway2016_564 Dichlone 117-80-6 DTXSID7020425 R9 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=C(Cl)C(=O)C2=C(C=CC=C2)C1=O Dichlone 117-80-6|Dichlone|1,4-Naphthalenedione, 2,3-dichloro-|1,4-Naphthoquinone, 2,3-dichloro-|2,3-Dichlor-1,4-naftochinon|2,3-Dichlor-1,4-naphthochinon|2,3-Dichloro-1,4-dihydro-1,4-dioxonaphthalene|2,3-Dichloro-1,4-naphthalenedione|2,3-Dichloro-1,4-naphthaquinone|2,3-Dichloro-1,4-naphthoquinone|2,3-Dichloronaphthoquinone|Algistat (quinone)|Caswell No. 298|Compound 604|Dichlon|Dichloronaphthoquinone|diclona|Diclone|EINECS 204-210-5|EPA Pesticide Chemical Code 029601|NAPHTHALENE-1,4-DIONE, 2,3-DICHLORO-|NSC 537|Phygon paste|Phygon seed protectant|Phygon XL|Quintar|Quintar 540F|Sanquinon|U.S. Rubber 604|UNII-C28BKZ2J9A|Uniroyal|US Rubber 604 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020425
ARPathway2016 ARPathway2016_326 Dichloran 99-30-9 DTXSID2020426 True antagonist shift (Hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 15.72491982 uM NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O Dichloran 99-30-9|Dichloran|1-Amino-2,6-dichloro-4-nitrobenzene|2,6-Dichlor-4-nitroanilin|2,6-Dichloro-4-nitroaniline|2,6-Dichloro-4-nitrobenzenamine|2,6-Dichloro-p-nitroaniline|2,6-dicloro-4-nitroanilina|4-12-00-01681|4-Nitro-2,6-dichloroaniline;|4-Nitroaniline, 2,6-dichloro-|AI3-08870|Allisan|ANILINE, 2,6-DICHLORO-4-NITRO-|Benzenamine, 2,6-dichloro-4-nitro-|Bortran|BRN 1459581|Caswell No. 311|CNA|Dichloran (2,6-Dichloro-4-nitroaniline) (Benzenamine, 2,6-dichloro-4-nitro-) (DCNA) (Dichloran)|Ditranil|EINECS 202-746-4|EPA Pesticide Chemical Code 031301|NSC 218|Resisan|UNII-F0BE9UC5J7|1135443-69-4|58916-70-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020426 https://doi.org/10.22427/NTP-DATA-DTXSID2020426
ARPathway2016 ARPathway2016_326 Dichloran 99-30-9 DTXSID2020426 True antagonist shift (Hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 77.49688827 uM NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O Dichloran 99-30-9|Dichloran|1-Amino-2,6-dichloro-4-nitrobenzene|2,6-Dichlor-4-nitroanilin|2,6-Dichloro-4-nitroaniline|2,6-Dichloro-4-nitrobenzenamine|2,6-Dichloro-p-nitroaniline|2,6-dicloro-4-nitroanilina|4-12-00-01681|4-Nitro-2,6-dichloroaniline;|4-Nitroaniline, 2,6-dichloro-|AI3-08870|Allisan|ANILINE, 2,6-DICHLORO-4-NITRO-|Benzenamine, 2,6-dichloro-4-nitro-|Bortran|BRN 1459581|Caswell No. 311|CNA|Dichloran (2,6-Dichloro-4-nitroaniline) (Benzenamine, 2,6-dichloro-4-nitro-) (DCNA) (Dichloran)|Ditranil|EINECS 202-746-4|EPA Pesticide Chemical Code 031301|NSC 218|Resisan|UNII-F0BE9UC5J7|1135443-69-4|58916-70-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020426 https://doi.org/10.22427/NTP-DATA-DTXSID2020426
ARPathway2016 ARPathway2016_326 Dichloran 99-30-9 DTXSID2020426 True antagonist shift (Hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.095 Unitless NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O Dichloran 99-30-9|Dichloran|1-Amino-2,6-dichloro-4-nitrobenzene|2,6-Dichlor-4-nitroanilin|2,6-Dichloro-4-nitroaniline|2,6-Dichloro-4-nitrobenzenamine|2,6-Dichloro-p-nitroaniline|2,6-dicloro-4-nitroanilina|4-12-00-01681|4-Nitro-2,6-dichloroaniline;|4-Nitroaniline, 2,6-dichloro-|AI3-08870|Allisan|ANILINE, 2,6-DICHLORO-4-NITRO-|Benzenamine, 2,6-dichloro-4-nitro-|Bortran|BRN 1459581|Caswell No. 311|CNA|Dichloran (2,6-Dichloro-4-nitroaniline) (Benzenamine, 2,6-dichloro-4-nitro-) (DCNA) (Dichloran)|Ditranil|EINECS 202-746-4|EPA Pesticide Chemical Code 031301|NSC 218|Resisan|UNII-F0BE9UC5J7|1135443-69-4|58916-70-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020426 https://doi.org/10.22427/NTP-DATA-DTXSID2020426
ARPathway2016 ARPathway2016_326 Dichloran 99-30-9 DTXSID2020426 True antagonist shift (Hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O Dichloran 99-30-9|Dichloran|1-Amino-2,6-dichloro-4-nitrobenzene|2,6-Dichlor-4-nitroanilin|2,6-Dichloro-4-nitroaniline|2,6-Dichloro-4-nitrobenzenamine|2,6-Dichloro-p-nitroaniline|2,6-dicloro-4-nitroanilina|4-12-00-01681|4-Nitro-2,6-dichloroaniline;|4-Nitroaniline, 2,6-dichloro-|AI3-08870|Allisan|ANILINE, 2,6-DICHLORO-4-NITRO-|Benzenamine, 2,6-dichloro-4-nitro-|Bortran|BRN 1459581|Caswell No. 311|CNA|Dichloran (2,6-Dichloro-4-nitroaniline) (Benzenamine, 2,6-dichloro-4-nitro-) (DCNA) (Dichloran)|Ditranil|EINECS 202-746-4|EPA Pesticide Chemical Code 031301|NSC 218|Resisan|UNII-F0BE9UC5J7|1135443-69-4|58916-70-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020426 https://doi.org/10.22427/NTP-DATA-DTXSID2020426
ARPathway2016 ARPathway2016_326 Dichloran 99-30-9 DTXSID2020426 True antagonist shift (Hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O Dichloran 99-30-9|Dichloran|1-Amino-2,6-dichloro-4-nitrobenzene|2,6-Dichlor-4-nitroanilin|2,6-Dichloro-4-nitroaniline|2,6-Dichloro-4-nitrobenzenamine|2,6-Dichloro-p-nitroaniline|2,6-dicloro-4-nitroanilina|4-12-00-01681|4-Nitro-2,6-dichloroaniline;|4-Nitroaniline, 2,6-dichloro-|AI3-08870|Allisan|ANILINE, 2,6-DICHLORO-4-NITRO-|Benzenamine, 2,6-dichloro-4-nitro-|Bortran|BRN 1459581|Caswell No. 311|CNA|Dichloran (2,6-Dichloro-4-nitroaniline) (Benzenamine, 2,6-dichloro-4-nitro-) (DCNA) (Dichloran)|Ditranil|EINECS 202-746-4|EPA Pesticide Chemical Code 031301|NSC 218|Resisan|UNII-F0BE9UC5J7|1135443-69-4|58916-70-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020426 https://doi.org/10.22427/NTP-DATA-DTXSID2020426
ARPathway2016 ARPathway2016_326 Dichloran 99-30-9 DTXSID2020426 True antagonist shift (Hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O Dichloran 99-30-9|Dichloran|1-Amino-2,6-dichloro-4-nitrobenzene|2,6-Dichlor-4-nitroanilin|2,6-Dichloro-4-nitroaniline|2,6-Dichloro-4-nitrobenzenamine|2,6-Dichloro-p-nitroaniline|2,6-dicloro-4-nitroanilina|4-12-00-01681|4-Nitro-2,6-dichloroaniline;|4-Nitroaniline, 2,6-dichloro-|AI3-08870|Allisan|ANILINE, 2,6-DICHLORO-4-NITRO-|Benzenamine, 2,6-dichloro-4-nitro-|Bortran|BRN 1459581|Caswell No. 311|CNA|Dichloran (2,6-Dichloro-4-nitroaniline) (Benzenamine, 2,6-dichloro-4-nitro-) (DCNA) (Dichloran)|Ditranil|EINECS 202-746-4|EPA Pesticide Chemical Code 031301|NSC 218|Resisan|UNII-F0BE9UC5J7|1135443-69-4|58916-70-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020426 https://doi.org/10.22427/NTP-DATA-DTXSID2020426
ERPathway2016 ERPathway2016_842 Dichloran 99-30-9 DTXSID2020426 ER Pathway Model, Agonist Model Score 0 Unitless NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O Dichloran 99-30-9|Dichloran|1-Amino-2,6-dichloro-4-nitrobenzene|2,6-Dichlor-4-nitroanilin|2,6-Dichloro-4-nitroaniline|2,6-Dichloro-4-nitrobenzenamine|2,6-Dichloro-p-nitroaniline|2,6-dicloro-4-nitroanilina|4-12-00-01681|4-Nitro-2,6-dichloroaniline;|4-Nitroaniline, 2,6-dichloro-|AI3-08870|Allisan|ANILINE, 2,6-DICHLORO-4-NITRO-|Benzenamine, 2,6-dichloro-4-nitro-|Bortran|BRN 1459581|Caswell No. 311|CNA|Dichloran (2,6-Dichloro-4-nitroaniline) (Benzenamine, 2,6-dichloro-4-nitro-) (DCNA) (Dichloran)|Ditranil|EINECS 202-746-4|EPA Pesticide Chemical Code 031301|NSC 218|Resisan|UNII-F0BE9UC5J7|1135443-69-4|58916-70-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020426 https://doi.org/10.22427/NTP-DATA-DTXSID2020426
ERPathway2016 ERPathway2016_842 Dichloran 99-30-9 DTXSID2020426 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O Dichloran 99-30-9|Dichloran|1-Amino-2,6-dichloro-4-nitrobenzene|2,6-Dichlor-4-nitroanilin|2,6-Dichloro-4-nitroaniline|2,6-Dichloro-4-nitrobenzenamine|2,6-Dichloro-p-nitroaniline|2,6-dicloro-4-nitroanilina|4-12-00-01681|4-Nitro-2,6-dichloroaniline;|4-Nitroaniline, 2,6-dichloro-|AI3-08870|Allisan|ANILINE, 2,6-DICHLORO-4-NITRO-|Benzenamine, 2,6-dichloro-4-nitro-|Bortran|BRN 1459581|Caswell No. 311|CNA|Dichloran (2,6-Dichloro-4-nitroaniline) (Benzenamine, 2,6-dichloro-4-nitro-) (DCNA) (Dichloran)|Ditranil|EINECS 202-746-4|EPA Pesticide Chemical Code 031301|NSC 218|Resisan|UNII-F0BE9UC5J7|1135443-69-4|58916-70-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020426 https://doi.org/10.22427/NTP-DATA-DTXSID2020426
ERPathway2016 ERPathway2016_842 Dichloran 99-30-9 DTXSID2020426 ER Pathway Model, Agonist Call Inactive Unitless NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O Dichloran 99-30-9|Dichloran|1-Amino-2,6-dichloro-4-nitrobenzene|2,6-Dichlor-4-nitroanilin|2,6-Dichloro-4-nitroaniline|2,6-Dichloro-4-nitrobenzenamine|2,6-Dichloro-p-nitroaniline|2,6-dicloro-4-nitroanilina|4-12-00-01681|4-Nitro-2,6-dichloroaniline;|4-Nitroaniline, 2,6-dichloro-|AI3-08870|Allisan|ANILINE, 2,6-DICHLORO-4-NITRO-|Benzenamine, 2,6-dichloro-4-nitro-|Bortran|BRN 1459581|Caswell No. 311|CNA|Dichloran (2,6-Dichloro-4-nitroaniline) (Benzenamine, 2,6-dichloro-4-nitro-) (DCNA) (Dichloran)|Ditranil|EINECS 202-746-4|EPA Pesticide Chemical Code 031301|NSC 218|Resisan|UNII-F0BE9UC5J7|1135443-69-4|58916-70-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020426 https://doi.org/10.22427/NTP-DATA-DTXSID2020426
ERPathway2016 ERPathway2016_842 Dichloran 99-30-9 DTXSID2020426 ER Pathway Model, Antagonist Call Inactive Unitless NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O Dichloran 99-30-9|Dichloran|1-Amino-2,6-dichloro-4-nitrobenzene|2,6-Dichlor-4-nitroanilin|2,6-Dichloro-4-nitroaniline|2,6-Dichloro-4-nitrobenzenamine|2,6-Dichloro-p-nitroaniline|2,6-dicloro-4-nitroanilina|4-12-00-01681|4-Nitro-2,6-dichloroaniline;|4-Nitroaniline, 2,6-dichloro-|AI3-08870|Allisan|ANILINE, 2,6-DICHLORO-4-NITRO-|Benzenamine, 2,6-dichloro-4-nitro-|Bortran|BRN 1459581|Caswell No. 311|CNA|Dichloran (2,6-Dichloro-4-nitroaniline) (Benzenamine, 2,6-dichloro-4-nitro-) (DCNA) (Dichloran)|Ditranil|EINECS 202-746-4|EPA Pesticide Chemical Code 031301|NSC 218|Resisan|UNII-F0BE9UC5J7|1135443-69-4|58916-70-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020426 https://doi.org/10.22427/NTP-DATA-DTXSID2020426
ARPathway2016 ARPathway2016_1180 Dichlormid 37764-25-3 DTXSID4027997 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC(Cl)C(=O)N(CC=C)CC=C Dichlormid 37764-25-3|Dichlormid|2,2-Dichloro-N,N-di-2-propenylacetamide|Acetamide, 2,2-dichloro-N,N-di-2-propen-1-yl-|Acetamide, 2,2-dichloro-N,N-di-2-propenyl-|BRN 1768843|Compound R-25788|EINECS 253-658-8|Stauffer R-25788|UNII-E901J4382O|11140-95-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027997
ARPathway2016 ARPathway2016_1180 Dichlormid 37764-25-3 DTXSID4027997 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)C(=O)N(CC=C)CC=C Dichlormid 37764-25-3|Dichlormid|2,2-Dichloro-N,N-di-2-propenylacetamide|Acetamide, 2,2-dichloro-N,N-di-2-propen-1-yl-|Acetamide, 2,2-dichloro-N,N-di-2-propenyl-|BRN 1768843|Compound R-25788|EINECS 253-658-8|Stauffer R-25788|UNII-E901J4382O|11140-95-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027997
ARPathway2016 ARPathway2016_1180 Dichlormid 37764-25-3 DTXSID4027997 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC(Cl)C(=O)N(CC=C)CC=C Dichlormid 37764-25-3|Dichlormid|2,2-Dichloro-N,N-di-2-propenylacetamide|Acetamide, 2,2-dichloro-N,N-di-2-propen-1-yl-|Acetamide, 2,2-dichloro-N,N-di-2-propenyl-|BRN 1768843|Compound R-25788|EINECS 253-658-8|Stauffer R-25788|UNII-E901J4382O|11140-95-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027997
ARPathway2016 ARPathway2016_1180 Dichlormid 37764-25-3 DTXSID4027997 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)C(=O)N(CC=C)CC=C Dichlormid 37764-25-3|Dichlormid|2,2-Dichloro-N,N-di-2-propenylacetamide|Acetamide, 2,2-dichloro-N,N-di-2-propen-1-yl-|Acetamide, 2,2-dichloro-N,N-di-2-propenyl-|BRN 1768843|Compound R-25788|EINECS 253-658-8|Stauffer R-25788|UNII-E901J4382O|11140-95-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027997
ERPathway2016 ERPathway2016_1474 Dichlormid 37764-25-3 DTXSID4027997 ER Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)C(=O)N(CC=C)CC=C Dichlormid 37764-25-3|Dichlormid|2,2-Dichloro-N,N-di-2-propenylacetamide|Acetamide, 2,2-dichloro-N,N-di-2-propen-1-yl-|Acetamide, 2,2-dichloro-N,N-di-2-propenyl-|BRN 1768843|Compound R-25788|EINECS 253-658-8|Stauffer R-25788|UNII-E901J4382O|11140-95-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027997
ERPathway2016 ERPathway2016_1474 Dichlormid 37764-25-3 DTXSID4027997 ER Pathway Model, Antagonist Model Score 0 Unitless ClC(Cl)C(=O)N(CC=C)CC=C Dichlormid 37764-25-3|Dichlormid|2,2-Dichloro-N,N-di-2-propenylacetamide|Acetamide, 2,2-dichloro-N,N-di-2-propen-1-yl-|Acetamide, 2,2-dichloro-N,N-di-2-propenyl-|BRN 1768843|Compound R-25788|EINECS 253-658-8|Stauffer R-25788|UNII-E901J4382O|11140-95-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027997
ERPathway2016 ERPathway2016_1474 Dichlormid 37764-25-3 DTXSID4027997 ER Pathway Model, Agonist Call Inactive Unitless ClC(Cl)C(=O)N(CC=C)CC=C Dichlormid 37764-25-3|Dichlormid|2,2-Dichloro-N,N-di-2-propenylacetamide|Acetamide, 2,2-dichloro-N,N-di-2-propen-1-yl-|Acetamide, 2,2-dichloro-N,N-di-2-propenyl-|BRN 1768843|Compound R-25788|EINECS 253-658-8|Stauffer R-25788|UNII-E901J4382O|11140-95-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027997
ERPathway2016 ERPathway2016_1474 Dichlormid 37764-25-3 DTXSID4027997 ER Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)C(=O)N(CC=C)CC=C Dichlormid 37764-25-3|Dichlormid|2,2-Dichloro-N,N-di-2-propenylacetamide|Acetamide, 2,2-dichloro-N,N-di-2-propen-1-yl-|Acetamide, 2,2-dichloro-N,N-di-2-propenyl-|BRN 1768843|Compound R-25788|EINECS 253-658-8|Stauffer R-25788|UNII-E901J4382O|11140-95-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027997
ARPathway2016 ARPathway2016_1094 Dichloro-1,3,5-triazinetrione 2782-57-2 DTXSID8024993 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClN1C(=O)NC(=O)N(Cl)C1=O Dichloro-1,3,5-triazinetrione 2782-57-2|Dichloro-1,3,5-triazinetrione|1,3-Dichloro-s-triazine-2,4,6-trione|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-|Caswell No. 327|Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione|Dichloro-s-triazinetrione|Dichlorocyanuric acid|Dichloroisocyanurate|Dichloroisocyanuric acid|EINECS 220-487-5|EPA Pesticide Chemical Code 081401|Isocyanuric acid, dichloro-|Isocyanuric dichloride|Kyselina dichlorisokyanurova|Troclosene|UNII-PHR838Y52L|76162-35-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024993 https://doi.org/10.22427/NTP-DATA-DTXSID8024993
ARPathway2016 ARPathway2016_1094 Dichloro-1,3,5-triazinetrione 2782-57-2 DTXSID8024993 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClN1C(=O)NC(=O)N(Cl)C1=O Dichloro-1,3,5-triazinetrione 2782-57-2|Dichloro-1,3,5-triazinetrione|1,3-Dichloro-s-triazine-2,4,6-trione|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-|Caswell No. 327|Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione|Dichloro-s-triazinetrione|Dichlorocyanuric acid|Dichloroisocyanurate|Dichloroisocyanuric acid|EINECS 220-487-5|EPA Pesticide Chemical Code 081401|Isocyanuric acid, dichloro-|Isocyanuric dichloride|Kyselina dichlorisokyanurova|Troclosene|UNII-PHR838Y52L|76162-35-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024993 https://doi.org/10.22427/NTP-DATA-DTXSID8024993
ARPathway2016 ARPathway2016_1094 Dichloro-1,3,5-triazinetrione 2782-57-2 DTXSID8024993 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClN1C(=O)NC(=O)N(Cl)C1=O Dichloro-1,3,5-triazinetrione 2782-57-2|Dichloro-1,3,5-triazinetrione|1,3-Dichloro-s-triazine-2,4,6-trione|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-|Caswell No. 327|Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione|Dichloro-s-triazinetrione|Dichlorocyanuric acid|Dichloroisocyanurate|Dichloroisocyanuric acid|EINECS 220-487-5|EPA Pesticide Chemical Code 081401|Isocyanuric acid, dichloro-|Isocyanuric dichloride|Kyselina dichlorisokyanurova|Troclosene|UNII-PHR838Y52L|76162-35-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024993 https://doi.org/10.22427/NTP-DATA-DTXSID8024993
ARPathway2016 ARPathway2016_1094 Dichloro-1,3,5-triazinetrione 2782-57-2 DTXSID8024993 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClN1C(=O)NC(=O)N(Cl)C1=O Dichloro-1,3,5-triazinetrione 2782-57-2|Dichloro-1,3,5-triazinetrione|1,3-Dichloro-s-triazine-2,4,6-trione|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-|Caswell No. 327|Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione|Dichloro-s-triazinetrione|Dichlorocyanuric acid|Dichloroisocyanurate|Dichloroisocyanuric acid|EINECS 220-487-5|EPA Pesticide Chemical Code 081401|Isocyanuric acid, dichloro-|Isocyanuric dichloride|Kyselina dichlorisokyanurova|Troclosene|UNII-PHR838Y52L|76162-35-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024993 https://doi.org/10.22427/NTP-DATA-DTXSID8024993
ERPathway2016 ERPathway2016_1424 Dichloro-1,3,5-triazinetrione 2782-57-2 DTXSID8024993 ER Pathway Model, Agonist Model Score 0 Unitless ClN1C(=O)NC(=O)N(Cl)C1=O Dichloro-1,3,5-triazinetrione 2782-57-2|Dichloro-1,3,5-triazinetrione|1,3-Dichloro-s-triazine-2,4,6-trione|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-|Caswell No. 327|Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione|Dichloro-s-triazinetrione|Dichlorocyanuric acid|Dichloroisocyanurate|Dichloroisocyanuric acid|EINECS 220-487-5|EPA Pesticide Chemical Code 081401|Isocyanuric acid, dichloro-|Isocyanuric dichloride|Kyselina dichlorisokyanurova|Troclosene|UNII-PHR838Y52L|76162-35-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024993 https://doi.org/10.22427/NTP-DATA-DTXSID8024993
ERPathway2016 ERPathway2016_1424 Dichloro-1,3,5-triazinetrione 2782-57-2 DTXSID8024993 ER Pathway Model, Antagonist Model Score 0 Unitless ClN1C(=O)NC(=O)N(Cl)C1=O Dichloro-1,3,5-triazinetrione 2782-57-2|Dichloro-1,3,5-triazinetrione|1,3-Dichloro-s-triazine-2,4,6-trione|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-|Caswell No. 327|Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione|Dichloro-s-triazinetrione|Dichlorocyanuric acid|Dichloroisocyanurate|Dichloroisocyanuric acid|EINECS 220-487-5|EPA Pesticide Chemical Code 081401|Isocyanuric acid, dichloro-|Isocyanuric dichloride|Kyselina dichlorisokyanurova|Troclosene|UNII-PHR838Y52L|76162-35-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024993 https://doi.org/10.22427/NTP-DATA-DTXSID8024993
ERPathway2016 ERPathway2016_1424 Dichloro-1,3,5-triazinetrione 2782-57-2 DTXSID8024993 ER Pathway Model, Agonist Call Inactive Unitless ClN1C(=O)NC(=O)N(Cl)C1=O Dichloro-1,3,5-triazinetrione 2782-57-2|Dichloro-1,3,5-triazinetrione|1,3-Dichloro-s-triazine-2,4,6-trione|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-|Caswell No. 327|Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione|Dichloro-s-triazinetrione|Dichlorocyanuric acid|Dichloroisocyanurate|Dichloroisocyanuric acid|EINECS 220-487-5|EPA Pesticide Chemical Code 081401|Isocyanuric acid, dichloro-|Isocyanuric dichloride|Kyselina dichlorisokyanurova|Troclosene|UNII-PHR838Y52L|76162-35-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024993 https://doi.org/10.22427/NTP-DATA-DTXSID8024993
ERPathway2016 ERPathway2016_1424 Dichloro-1,3,5-triazinetrione 2782-57-2 DTXSID8024993 ER Pathway Model, Antagonist Call Inactive Unitless ClN1C(=O)NC(=O)N(Cl)C1=O Dichloro-1,3,5-triazinetrione 2782-57-2|Dichloro-1,3,5-triazinetrione|1,3-Dichloro-s-triazine-2,4,6-trione|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-|Caswell No. 327|Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione|Dichloro-s-triazinetrione|Dichlorocyanuric acid|Dichloroisocyanurate|Dichloroisocyanuric acid|EINECS 220-487-5|EPA Pesticide Chemical Code 081401|Isocyanuric acid, dichloro-|Isocyanuric dichloride|Kyselina dichlorisokyanurova|Troclosene|UNII-PHR838Y52L|76162-35-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024993 https://doi.org/10.22427/NTP-DATA-DTXSID8024993
ARPathway2016 ARPathway2016_1588 Dichloroacetic acid 79-43-6 DTXSID2020428 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C(Cl)Cl Dichloroacetic acid 79-43-6|Dichloroacetic acid|2,2-Dichloroacetic acid|4-02-00-00498|Acetic acid, 2,2-dichloro-|Acetic acid, dichloro-|Acide dichloroacetique|acido dicloroacetico|bichloracetic acid|BRN 1098596|DCA|DCA (acid)|DCAA|Dichloracetic acid|DICHLORESSIGSAEURE|Dichloressigsaure|Dichlorethanoic acid|Dichloroethanoic acid|DKhUK|EC No.: 201-207-0|EINECS 201-207-0|Kyselina dichloroctova|NSC 2654|UN 1764|UNII-9LSH52S3LQ|Urner's liquid|42428-47-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020428 https://doi.org/10.22427/NTP-DATA-DTXSID2020428
ARPathway2016 ARPathway2016_1588 Dichloroacetic acid 79-43-6 DTXSID2020428 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C(Cl)Cl Dichloroacetic acid 79-43-6|Dichloroacetic acid|2,2-Dichloroacetic acid|4-02-00-00498|Acetic acid, 2,2-dichloro-|Acetic acid, dichloro-|Acide dichloroacetique|acido dicloroacetico|bichloracetic acid|BRN 1098596|DCA|DCA (acid)|DCAA|Dichloracetic acid|DICHLORESSIGSAEURE|Dichloressigsaure|Dichlorethanoic acid|Dichloroethanoic acid|DKhUK|EC No.: 201-207-0|EINECS 201-207-0|Kyselina dichloroctova|NSC 2654|UN 1764|UNII-9LSH52S3LQ|Urner's liquid|42428-47-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020428 https://doi.org/10.22427/NTP-DATA-DTXSID2020428
ARPathway2016 ARPathway2016_1588 Dichloroacetic acid 79-43-6 DTXSID2020428 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C(Cl)Cl Dichloroacetic acid 79-43-6|Dichloroacetic acid|2,2-Dichloroacetic acid|4-02-00-00498|Acetic acid, 2,2-dichloro-|Acetic acid, dichloro-|Acide dichloroacetique|acido dicloroacetico|bichloracetic acid|BRN 1098596|DCA|DCA (acid)|DCAA|Dichloracetic acid|DICHLORESSIGSAEURE|Dichloressigsaure|Dichlorethanoic acid|Dichloroethanoic acid|DKhUK|EC No.: 201-207-0|EINECS 201-207-0|Kyselina dichloroctova|NSC 2654|UN 1764|UNII-9LSH52S3LQ|Urner's liquid|42428-47-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020428 https://doi.org/10.22427/NTP-DATA-DTXSID2020428
ARPathway2016 ARPathway2016_1588 Dichloroacetic acid 79-43-6 DTXSID2020428 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(Cl)Cl Dichloroacetic acid 79-43-6|Dichloroacetic acid|2,2-Dichloroacetic acid|4-02-00-00498|Acetic acid, 2,2-dichloro-|Acetic acid, dichloro-|Acide dichloroacetique|acido dicloroacetico|bichloracetic acid|BRN 1098596|DCA|DCA (acid)|DCAA|Dichloracetic acid|DICHLORESSIGSAEURE|Dichloressigsaure|Dichlorethanoic acid|Dichloroethanoic acid|DKhUK|EC No.: 201-207-0|EINECS 201-207-0|Kyselina dichloroctova|NSC 2654|UN 1764|UNII-9LSH52S3LQ|Urner's liquid|42428-47-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020428 https://doi.org/10.22427/NTP-DATA-DTXSID2020428
ERPathway2016 ERPathway2016_1674 Dichloroacetic acid 79-43-6 DTXSID2020428 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C(Cl)Cl Dichloroacetic acid 79-43-6|Dichloroacetic acid|2,2-Dichloroacetic acid|4-02-00-00498|Acetic acid, 2,2-dichloro-|Acetic acid, dichloro-|Acide dichloroacetique|acido dicloroacetico|bichloracetic acid|BRN 1098596|DCA|DCA (acid)|DCAA|Dichloracetic acid|DICHLORESSIGSAEURE|Dichloressigsaure|Dichlorethanoic acid|Dichloroethanoic acid|DKhUK|EC No.: 201-207-0|EINECS 201-207-0|Kyselina dichloroctova|NSC 2654|UN 1764|UNII-9LSH52S3LQ|Urner's liquid|42428-47-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020428 https://doi.org/10.22427/NTP-DATA-DTXSID2020428
ERPathway2016 ERPathway2016_1674 Dichloroacetic acid 79-43-6 DTXSID2020428 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C(Cl)Cl Dichloroacetic acid 79-43-6|Dichloroacetic acid|2,2-Dichloroacetic acid|4-02-00-00498|Acetic acid, 2,2-dichloro-|Acetic acid, dichloro-|Acide dichloroacetique|acido dicloroacetico|bichloracetic acid|BRN 1098596|DCA|DCA (acid)|DCAA|Dichloracetic acid|DICHLORESSIGSAEURE|Dichloressigsaure|Dichlorethanoic acid|Dichloroethanoic acid|DKhUK|EC No.: 201-207-0|EINECS 201-207-0|Kyselina dichloroctova|NSC 2654|UN 1764|UNII-9LSH52S3LQ|Urner's liquid|42428-47-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020428 https://doi.org/10.22427/NTP-DATA-DTXSID2020428
ERPathway2016 ERPathway2016_1674 Dichloroacetic acid 79-43-6 DTXSID2020428 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C(Cl)Cl Dichloroacetic acid 79-43-6|Dichloroacetic acid|2,2-Dichloroacetic acid|4-02-00-00498|Acetic acid, 2,2-dichloro-|Acetic acid, dichloro-|Acide dichloroacetique|acido dicloroacetico|bichloracetic acid|BRN 1098596|DCA|DCA (acid)|DCAA|Dichloracetic acid|DICHLORESSIGSAEURE|Dichloressigsaure|Dichlorethanoic acid|Dichloroethanoic acid|DKhUK|EC No.: 201-207-0|EINECS 201-207-0|Kyselina dichloroctova|NSC 2654|UN 1764|UNII-9LSH52S3LQ|Urner's liquid|42428-47-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020428 https://doi.org/10.22427/NTP-DATA-DTXSID2020428
ERPathway2016 ERPathway2016_1674 Dichloroacetic acid 79-43-6 DTXSID2020428 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(Cl)Cl Dichloroacetic acid 79-43-6|Dichloroacetic acid|2,2-Dichloroacetic acid|4-02-00-00498|Acetic acid, 2,2-dichloro-|Acetic acid, dichloro-|Acide dichloroacetique|acido dicloroacetico|bichloracetic acid|BRN 1098596|DCA|DCA (acid)|DCAA|Dichloracetic acid|DICHLORESSIGSAEURE|Dichloressigsaure|Dichlorethanoic acid|Dichloroethanoic acid|DKhUK|EC No.: 201-207-0|EINECS 201-207-0|Kyselina dichloroctova|NSC 2654|UN 1764|UNII-9LSH52S3LQ|Urner's liquid|42428-47-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020428 https://doi.org/10.22427/NTP-DATA-DTXSID2020428
ARPathway2016 ARPathway2016_321 Dichlorophen 97-23-4 DTXSID6021824 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 15.48201604 uM OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O Dichlorophen 97-23-4|Dichlorophen|((Dihydroxydichloro)diphenyl)methane|2,2'-Dihydroxy-5,5'-dichlorodiphenylmethane|2,2'-Methylene-bis (4-chlorophenol)|2,2'-Methylenebis(4-chlorophenol)|4,4'-Dichloro-2,2'-methylenediphenol|5,5'-Dichloro-2,2'-dihydroxydiphenylmethane|Anthiphen|Antifen|Antiphen|Bis-2-hydroxy-5-chlorfenylmethan|Bis(2-hydroxy-5-chlorophenyl)methane|Bis(5-chlor-2-hydroxyphenyl)-methan|Bis(5-chloro-2-hydroxyphenyl)methane|Bis(chlorohydroxyphenyl)methane|BRN 1884514|Caswell No. 563|Cordocel|DDM (VAN)|Di-(5-chloro-2-hydroxyphenyl)methane|Di-phentane-70|Dicestal|Dichloorfeen|Dichlorofen|Dichlorophen B|Dichlorophene 10|Dichlorophenum|Dichlorphen|Diclorofeno|Didroxan|Didroxane|Difentan|Diphenthane 70|EINECS 202-567-1|Embephen|EPA Pesticide Chemical Code 055001|Fungicide GM|Fungicide M|Gingivit|Giv Gard G 4-40|Halenol|NSC 38642|o,o-Methyleen-bis(4-chloorfenol)|o,o-Metilen-bis(4-cloro-fenolo)|Palacel|Panacide|Plath-lyse|Prevental|Preventol GD|Preventol GDC|Sandocide|Super mosstox|Taeniatol|Teniathane|Teniatol|Teniotol|UNII-T1J0JOU64O|Vermi|1135443-66-1|8017-86-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021824 https://doi.org/10.22427/NTP-DATA-DTXSID6021824
ARPathway2016 ARPathway2016_321 Dichlorophen 97-23-4 DTXSID6021824 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 16.0241547366554 uM OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O Dichlorophen 97-23-4|Dichlorophen|((Dihydroxydichloro)diphenyl)methane|2,2'-Dihydroxy-5,5'-dichlorodiphenylmethane|2,2'-Methylene-bis (4-chlorophenol)|2,2'-Methylenebis(4-chlorophenol)|4,4'-Dichloro-2,2'-methylenediphenol|5,5'-Dichloro-2,2'-dihydroxydiphenylmethane|Anthiphen|Antifen|Antiphen|Bis-2-hydroxy-5-chlorfenylmethan|Bis(2-hydroxy-5-chlorophenyl)methane|Bis(5-chlor-2-hydroxyphenyl)-methan|Bis(5-chloro-2-hydroxyphenyl)methane|Bis(chlorohydroxyphenyl)methane|BRN 1884514|Caswell No. 563|Cordocel|DDM (VAN)|Di-(5-chloro-2-hydroxyphenyl)methane|Di-phentane-70|Dicestal|Dichloorfeen|Dichlorofen|Dichlorophen B|Dichlorophene 10|Dichlorophenum|Dichlorphen|Diclorofeno|Didroxan|Didroxane|Difentan|Diphenthane 70|EINECS 202-567-1|Embephen|EPA Pesticide Chemical Code 055001|Fungicide GM|Fungicide M|Gingivit|Giv Gard G 4-40|Halenol|NSC 38642|o,o-Methyleen-bis(4-chloorfenol)|o,o-Metilen-bis(4-cloro-fenolo)|Palacel|Panacide|Plath-lyse|Prevental|Preventol GD|Preventol GDC|Sandocide|Super mosstox|Taeniatol|Teniathane|Teniatol|Teniotol|UNII-T1J0JOU64O|Vermi|1135443-66-1|8017-86-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021824 https://doi.org/10.22427/NTP-DATA-DTXSID6021824
ARPathway2016 ARPathway2016_321 Dichlorophen 97-23-4 DTXSID6021824 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.337 Unitless OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O Dichlorophen 97-23-4|Dichlorophen|((Dihydroxydichloro)diphenyl)methane|2,2'-Dihydroxy-5,5'-dichlorodiphenylmethane|2,2'-Methylene-bis (4-chlorophenol)|2,2'-Methylenebis(4-chlorophenol)|4,4'-Dichloro-2,2'-methylenediphenol|5,5'-Dichloro-2,2'-dihydroxydiphenylmethane|Anthiphen|Antifen|Antiphen|Bis-2-hydroxy-5-chlorfenylmethan|Bis(2-hydroxy-5-chlorophenyl)methane|Bis(5-chlor-2-hydroxyphenyl)-methan|Bis(5-chloro-2-hydroxyphenyl)methane|Bis(chlorohydroxyphenyl)methane|BRN 1884514|Caswell No. 563|Cordocel|DDM (VAN)|Di-(5-chloro-2-hydroxyphenyl)methane|Di-phentane-70|Dicestal|Dichloorfeen|Dichlorofen|Dichlorophen B|Dichlorophene 10|Dichlorophenum|Dichlorphen|Diclorofeno|Didroxan|Didroxane|Difentan|Diphenthane 70|EINECS 202-567-1|Embephen|EPA Pesticide Chemical Code 055001|Fungicide GM|Fungicide M|Gingivit|Giv Gard G 4-40|Halenol|NSC 38642|o,o-Methyleen-bis(4-chloorfenol)|o,o-Metilen-bis(4-cloro-fenolo)|Palacel|Panacide|Plath-lyse|Prevental|Preventol GD|Preventol GDC|Sandocide|Super mosstox|Taeniatol|Teniathane|Teniatol|Teniotol|UNII-T1J0JOU64O|Vermi|1135443-66-1|8017-86-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021824 https://doi.org/10.22427/NTP-DATA-DTXSID6021824
ARPathway2016 ARPathway2016_321 Dichlorophen 97-23-4 DTXSID6021824 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O Dichlorophen 97-23-4|Dichlorophen|((Dihydroxydichloro)diphenyl)methane|2,2'-Dihydroxy-5,5'-dichlorodiphenylmethane|2,2'-Methylene-bis (4-chlorophenol)|2,2'-Methylenebis(4-chlorophenol)|4,4'-Dichloro-2,2'-methylenediphenol|5,5'-Dichloro-2,2'-dihydroxydiphenylmethane|Anthiphen|Antifen|Antiphen|Bis-2-hydroxy-5-chlorfenylmethan|Bis(2-hydroxy-5-chlorophenyl)methane|Bis(5-chlor-2-hydroxyphenyl)-methan|Bis(5-chloro-2-hydroxyphenyl)methane|Bis(chlorohydroxyphenyl)methane|BRN 1884514|Caswell No. 563|Cordocel|DDM (VAN)|Di-(5-chloro-2-hydroxyphenyl)methane|Di-phentane-70|Dicestal|Dichloorfeen|Dichlorofen|Dichlorophen B|Dichlorophene 10|Dichlorophenum|Dichlorphen|Diclorofeno|Didroxan|Didroxane|Difentan|Diphenthane 70|EINECS 202-567-1|Embephen|EPA Pesticide Chemical Code 055001|Fungicide GM|Fungicide M|Gingivit|Giv Gard G 4-40|Halenol|NSC 38642|o,o-Methyleen-bis(4-chloorfenol)|o,o-Metilen-bis(4-cloro-fenolo)|Palacel|Panacide|Plath-lyse|Prevental|Preventol GD|Preventol GDC|Sandocide|Super mosstox|Taeniatol|Teniathane|Teniatol|Teniotol|UNII-T1J0JOU64O|Vermi|1135443-66-1|8017-86-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021824 https://doi.org/10.22427/NTP-DATA-DTXSID6021824
ARPathway2016 ARPathway2016_321 Dichlorophen 97-23-4 DTXSID6021824 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O Dichlorophen 97-23-4|Dichlorophen|((Dihydroxydichloro)diphenyl)methane|2,2'-Dihydroxy-5,5'-dichlorodiphenylmethane|2,2'-Methylene-bis (4-chlorophenol)|2,2'-Methylenebis(4-chlorophenol)|4,4'-Dichloro-2,2'-methylenediphenol|5,5'-Dichloro-2,2'-dihydroxydiphenylmethane|Anthiphen|Antifen|Antiphen|Bis-2-hydroxy-5-chlorfenylmethan|Bis(2-hydroxy-5-chlorophenyl)methane|Bis(5-chlor-2-hydroxyphenyl)-methan|Bis(5-chloro-2-hydroxyphenyl)methane|Bis(chlorohydroxyphenyl)methane|BRN 1884514|Caswell No. 563|Cordocel|DDM (VAN)|Di-(5-chloro-2-hydroxyphenyl)methane|Di-phentane-70|Dicestal|Dichloorfeen|Dichlorofen|Dichlorophen B|Dichlorophene 10|Dichlorophenum|Dichlorphen|Diclorofeno|Didroxan|Didroxane|Difentan|Diphenthane 70|EINECS 202-567-1|Embephen|EPA Pesticide Chemical Code 055001|Fungicide GM|Fungicide M|Gingivit|Giv Gard G 4-40|Halenol|NSC 38642|o,o-Methyleen-bis(4-chloorfenol)|o,o-Metilen-bis(4-cloro-fenolo)|Palacel|Panacide|Plath-lyse|Prevental|Preventol GD|Preventol GDC|Sandocide|Super mosstox|Taeniatol|Teniathane|Teniatol|Teniotol|UNII-T1J0JOU64O|Vermi|1135443-66-1|8017-86-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021824 https://doi.org/10.22427/NTP-DATA-DTXSID6021824
ARPathway2016 ARPathway2016_321 Dichlorophen 97-23-4 DTXSID6021824 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O Dichlorophen 97-23-4|Dichlorophen|((Dihydroxydichloro)diphenyl)methane|2,2'-Dihydroxy-5,5'-dichlorodiphenylmethane|2,2'-Methylene-bis (4-chlorophenol)|2,2'-Methylenebis(4-chlorophenol)|4,4'-Dichloro-2,2'-methylenediphenol|5,5'-Dichloro-2,2'-dihydroxydiphenylmethane|Anthiphen|Antifen|Antiphen|Bis-2-hydroxy-5-chlorfenylmethan|Bis(2-hydroxy-5-chlorophenyl)methane|Bis(5-chlor-2-hydroxyphenyl)-methan|Bis(5-chloro-2-hydroxyphenyl)methane|Bis(chlorohydroxyphenyl)methane|BRN 1884514|Caswell No. 563|Cordocel|DDM (VAN)|Di-(5-chloro-2-hydroxyphenyl)methane|Di-phentane-70|Dicestal|Dichloorfeen|Dichlorofen|Dichlorophen B|Dichlorophene 10|Dichlorophenum|Dichlorphen|Diclorofeno|Didroxan|Didroxane|Difentan|Diphenthane 70|EINECS 202-567-1|Embephen|EPA Pesticide Chemical Code 055001|Fungicide GM|Fungicide M|Gingivit|Giv Gard G 4-40|Halenol|NSC 38642|o,o-Methyleen-bis(4-chloorfenol)|o,o-Metilen-bis(4-cloro-fenolo)|Palacel|Panacide|Plath-lyse|Prevental|Preventol GD|Preventol GDC|Sandocide|Super mosstox|Taeniatol|Teniathane|Teniatol|Teniotol|UNII-T1J0JOU64O|Vermi|1135443-66-1|8017-86-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021824 https://doi.org/10.22427/NTP-DATA-DTXSID6021824
ERPathway2016 ERPathway2016_32 Dichlorophen 97-23-4 DTXSID6021824 ER Pathway Model, Agonist AC50 17.199492691799 uM OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O Dichlorophen 97-23-4|Dichlorophen|((Dihydroxydichloro)diphenyl)methane|2,2'-Dihydroxy-5,5'-dichlorodiphenylmethane|2,2'-Methylene-bis (4-chlorophenol)|2,2'-Methylenebis(4-chlorophenol)|4,4'-Dichloro-2,2'-methylenediphenol|5,5'-Dichloro-2,2'-dihydroxydiphenylmethane|Anthiphen|Antifen|Antiphen|Bis-2-hydroxy-5-chlorfenylmethan|Bis(2-hydroxy-5-chlorophenyl)methane|Bis(5-chlor-2-hydroxyphenyl)-methan|Bis(5-chloro-2-hydroxyphenyl)methane|Bis(chlorohydroxyphenyl)methane|BRN 1884514|Caswell No. 563|Cordocel|DDM (VAN)|Di-(5-chloro-2-hydroxyphenyl)methane|Di-phentane-70|Dicestal|Dichloorfeen|Dichlorofen|Dichlorophen B|Dichlorophene 10|Dichlorophenum|Dichlorphen|Diclorofeno|Didroxan|Didroxane|Difentan|Diphenthane 70|EINECS 202-567-1|Embephen|EPA Pesticide Chemical Code 055001|Fungicide GM|Fungicide M|Gingivit|Giv Gard G 4-40|Halenol|NSC 38642|o,o-Methyleen-bis(4-chloorfenol)|o,o-Metilen-bis(4-cloro-fenolo)|Palacel|Panacide|Plath-lyse|Prevental|Preventol GD|Preventol GDC|Sandocide|Super mosstox|Taeniatol|Teniathane|Teniatol|Teniotol|UNII-T1J0JOU64O|Vermi|1135443-66-1|8017-86-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021824 https://doi.org/10.22427/NTP-DATA-DTXSID6021824
ERPathway2016 ERPathway2016_32 Dichlorophen 97-23-4 DTXSID6021824 ER Pathway Model, Agonist ACC 14.8521862953658 uM OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O Dichlorophen 97-23-4|Dichlorophen|((Dihydroxydichloro)diphenyl)methane|2,2'-Dihydroxy-5,5'-dichlorodiphenylmethane|2,2'-Methylene-bis (4-chlorophenol)|2,2'-Methylenebis(4-chlorophenol)|4,4'-Dichloro-2,2'-methylenediphenol|5,5'-Dichloro-2,2'-dihydroxydiphenylmethane|Anthiphen|Antifen|Antiphen|Bis-2-hydroxy-5-chlorfenylmethan|Bis(2-hydroxy-5-chlorophenyl)methane|Bis(5-chlor-2-hydroxyphenyl)-methan|Bis(5-chloro-2-hydroxyphenyl)methane|Bis(chlorohydroxyphenyl)methane|BRN 1884514|Caswell No. 563|Cordocel|DDM (VAN)|Di-(5-chloro-2-hydroxyphenyl)methane|Di-phentane-70|Dicestal|Dichloorfeen|Dichlorofen|Dichlorophen B|Dichlorophene 10|Dichlorophenum|Dichlorphen|Diclorofeno|Didroxan|Didroxane|Difentan|Diphenthane 70|EINECS 202-567-1|Embephen|EPA Pesticide Chemical Code 055001|Fungicide GM|Fungicide M|Gingivit|Giv Gard G 4-40|Halenol|NSC 38642|o,o-Methyleen-bis(4-chloorfenol)|o,o-Metilen-bis(4-cloro-fenolo)|Palacel|Panacide|Plath-lyse|Prevental|Preventol GD|Preventol GDC|Sandocide|Super mosstox|Taeniatol|Teniathane|Teniatol|Teniotol|UNII-T1J0JOU64O|Vermi|1135443-66-1|8017-86-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021824 https://doi.org/10.22427/NTP-DATA-DTXSID6021824
ERPathway2016 ERPathway2016_32 Dichlorophen 97-23-4 DTXSID6021824 ER Pathway Model, Agonist Model Score 0.0058 Unitless OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O Dichlorophen 97-23-4|Dichlorophen|((Dihydroxydichloro)diphenyl)methane|2,2'-Dihydroxy-5,5'-dichlorodiphenylmethane|2,2'-Methylene-bis (4-chlorophenol)|2,2'-Methylenebis(4-chlorophenol)|4,4'-Dichloro-2,2'-methylenediphenol|5,5'-Dichloro-2,2'-dihydroxydiphenylmethane|Anthiphen|Antifen|Antiphen|Bis-2-hydroxy-5-chlorfenylmethan|Bis(2-hydroxy-5-chlorophenyl)methane|Bis(5-chlor-2-hydroxyphenyl)-methan|Bis(5-chloro-2-hydroxyphenyl)methane|Bis(chlorohydroxyphenyl)methane|BRN 1884514|Caswell No. 563|Cordocel|DDM (VAN)|Di-(5-chloro-2-hydroxyphenyl)methane|Di-phentane-70|Dicestal|Dichloorfeen|Dichlorofen|Dichlorophen B|Dichlorophene 10|Dichlorophenum|Dichlorphen|Diclorofeno|Didroxan|Didroxane|Difentan|Diphenthane 70|EINECS 202-567-1|Embephen|EPA Pesticide Chemical Code 055001|Fungicide GM|Fungicide M|Gingivit|Giv Gard G 4-40|Halenol|NSC 38642|o,o-Methyleen-bis(4-chloorfenol)|o,o-Metilen-bis(4-cloro-fenolo)|Palacel|Panacide|Plath-lyse|Prevental|Preventol GD|Preventol GDC|Sandocide|Super mosstox|Taeniatol|Teniathane|Teniatol|Teniotol|UNII-T1J0JOU64O|Vermi|1135443-66-1|8017-86-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021824 https://doi.org/10.22427/NTP-DATA-DTXSID6021824
ERPathway2016 ERPathway2016_32 Dichlorophen 97-23-4 DTXSID6021824 ER Pathway Model, Antagonist Model Score 0.0643 Unitless OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O Dichlorophen 97-23-4|Dichlorophen|((Dihydroxydichloro)diphenyl)methane|2,2'-Dihydroxy-5,5'-dichlorodiphenylmethane|2,2'-Methylene-bis (4-chlorophenol)|2,2'-Methylenebis(4-chlorophenol)|4,4'-Dichloro-2,2'-methylenediphenol|5,5'-Dichloro-2,2'-dihydroxydiphenylmethane|Anthiphen|Antifen|Antiphen|Bis-2-hydroxy-5-chlorfenylmethan|Bis(2-hydroxy-5-chlorophenyl)methane|Bis(5-chlor-2-hydroxyphenyl)-methan|Bis(5-chloro-2-hydroxyphenyl)methane|Bis(chlorohydroxyphenyl)methane|BRN 1884514|Caswell No. 563|Cordocel|DDM (VAN)|Di-(5-chloro-2-hydroxyphenyl)methane|Di-phentane-70|Dicestal|Dichloorfeen|Dichlorofen|Dichlorophen B|Dichlorophene 10|Dichlorophenum|Dichlorphen|Diclorofeno|Didroxan|Didroxane|Difentan|Diphenthane 70|EINECS 202-567-1|Embephen|EPA Pesticide Chemical Code 055001|Fungicide GM|Fungicide M|Gingivit|Giv Gard G 4-40|Halenol|NSC 38642|o,o-Methyleen-bis(4-chloorfenol)|o,o-Metilen-bis(4-cloro-fenolo)|Palacel|Panacide|Plath-lyse|Prevental|Preventol GD|Preventol GDC|Sandocide|Super mosstox|Taeniatol|Teniathane|Teniatol|Teniotol|UNII-T1J0JOU64O|Vermi|1135443-66-1|8017-86-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021824 https://doi.org/10.22427/NTP-DATA-DTXSID6021824
ERPathway2016 ERPathway2016_32 Dichlorophen 97-23-4 DTXSID6021824 ER Pathway Model, Agonist Call Active Unitless OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O Dichlorophen 97-23-4|Dichlorophen|((Dihydroxydichloro)diphenyl)methane|2,2'-Dihydroxy-5,5'-dichlorodiphenylmethane|2,2'-Methylene-bis (4-chlorophenol)|2,2'-Methylenebis(4-chlorophenol)|4,4'-Dichloro-2,2'-methylenediphenol|5,5'-Dichloro-2,2'-dihydroxydiphenylmethane|Anthiphen|Antifen|Antiphen|Bis-2-hydroxy-5-chlorfenylmethan|Bis(2-hydroxy-5-chlorophenyl)methane|Bis(5-chlor-2-hydroxyphenyl)-methan|Bis(5-chloro-2-hydroxyphenyl)methane|Bis(chlorohydroxyphenyl)methane|BRN 1884514|Caswell No. 563|Cordocel|DDM (VAN)|Di-(5-chloro-2-hydroxyphenyl)methane|Di-phentane-70|Dicestal|Dichloorfeen|Dichlorofen|Dichlorophen B|Dichlorophene 10|Dichlorophenum|Dichlorphen|Diclorofeno|Didroxan|Didroxane|Difentan|Diphenthane 70|EINECS 202-567-1|Embephen|EPA Pesticide Chemical Code 055001|Fungicide GM|Fungicide M|Gingivit|Giv Gard G 4-40|Halenol|NSC 38642|o,o-Methyleen-bis(4-chloorfenol)|o,o-Metilen-bis(4-cloro-fenolo)|Palacel|Panacide|Plath-lyse|Prevental|Preventol GD|Preventol GDC|Sandocide|Super mosstox|Taeniatol|Teniathane|Teniatol|Teniotol|UNII-T1J0JOU64O|Vermi|1135443-66-1|8017-86-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021824 https://doi.org/10.22427/NTP-DATA-DTXSID6021824
ERPathway2016 ERPathway2016_32 Dichlorophen 97-23-4 DTXSID6021824 ER Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O Dichlorophen 97-23-4|Dichlorophen|((Dihydroxydichloro)diphenyl)methane|2,2'-Dihydroxy-5,5'-dichlorodiphenylmethane|2,2'-Methylene-bis (4-chlorophenol)|2,2'-Methylenebis(4-chlorophenol)|4,4'-Dichloro-2,2'-methylenediphenol|5,5'-Dichloro-2,2'-dihydroxydiphenylmethane|Anthiphen|Antifen|Antiphen|Bis-2-hydroxy-5-chlorfenylmethan|Bis(2-hydroxy-5-chlorophenyl)methane|Bis(5-chlor-2-hydroxyphenyl)-methan|Bis(5-chloro-2-hydroxyphenyl)methane|Bis(chlorohydroxyphenyl)methane|BRN 1884514|Caswell No. 563|Cordocel|DDM (VAN)|Di-(5-chloro-2-hydroxyphenyl)methane|Di-phentane-70|Dicestal|Dichloorfeen|Dichlorofen|Dichlorophen B|Dichlorophene 10|Dichlorophenum|Dichlorphen|Diclorofeno|Didroxan|Didroxane|Difentan|Diphenthane 70|EINECS 202-567-1|Embephen|EPA Pesticide Chemical Code 055001|Fungicide GM|Fungicide M|Gingivit|Giv Gard G 4-40|Halenol|NSC 38642|o,o-Methyleen-bis(4-chloorfenol)|o,o-Metilen-bis(4-cloro-fenolo)|Palacel|Panacide|Plath-lyse|Prevental|Preventol GD|Preventol GDC|Sandocide|Super mosstox|Taeniatol|Teniathane|Teniatol|Teniotol|UNII-T1J0JOU64O|Vermi|1135443-66-1|8017-86-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021824 https://doi.org/10.22427/NTP-DATA-DTXSID6021824
ARPathway2016 ARPathway2016_666 Dichlorprop 120-36-5 DTXSID0020440 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(OC1=C(Cl)C=C(Cl)C=C1)C(O)=O Dichlorprop 120-36-5|Dichlorprop|(+/-)-2-(2,4-Dichlorophenoxy)propanoic acid|(+/-)-2-(2,4-Dichlorophenoxy)propionic acid|(+/-)-2,4-DP|(+/-)-Dichlorprop|(2RS)-2-(2,4-dichlorophenoxy)propionic acid|2-(2,4-Dichloor-fenoxy)-propionzuur|2-(2,4-Dichlor-phenoxy)-propionsaeure|2-(2,4-Dichlorophenoxy) propionic acid|2-(2,4-Dichlorophenoxy)propanoic acid|2-(2,4-Dichlorophenoxy)propionic acid|2,4-Dichlorophenoxy-alpha-propionic acid|2,4-DP|3-06-00-00707|Acide 2-(2,4-dichloro-phenoxy) propionique|Acido 2-(2,4-dicloro-fenossi)-propionico|alpha-(2,4-Dichlorophenoxy) propionic acid|alpha-(2,4-Dichlorophenoxy)propionic acid|BRN 2213812|Canapur DP|Caswell No. 320|Celatox DP|Celatox-dp|Cornox RK|Cornox RK 64|Cornoxynil|Dichloprop|Dichloroprop|Dichlorprop acid|diclorprop|Dicopur DP|Dikofag DP|EINECS 204-390-5|EPA Pesticide Chemical Code 031401|Hedonal DP|Herbizid DP|Hormatox|Kwas 2,4-dwuchlorofenoksypropionowy|Kyselina 2-(2,4-dichlorfenoxy)propionova|Mayclene|NSC 39624|Oxytril P|Polyclene|Polymone|Polytox|Propanoic acid, 2-(2,4-dichlorophenoxy)-|Propionic acid|7547-66-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020440
ARPathway2016 ARPathway2016_666 Dichlorprop 120-36-5 DTXSID0020440 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(OC1=C(Cl)C=C(Cl)C=C1)C(O)=O Dichlorprop 120-36-5|Dichlorprop|(+/-)-2-(2,4-Dichlorophenoxy)propanoic acid|(+/-)-2-(2,4-Dichlorophenoxy)propionic acid|(+/-)-2,4-DP|(+/-)-Dichlorprop|(2RS)-2-(2,4-dichlorophenoxy)propionic acid|2-(2,4-Dichloor-fenoxy)-propionzuur|2-(2,4-Dichlor-phenoxy)-propionsaeure|2-(2,4-Dichlorophenoxy) propionic acid|2-(2,4-Dichlorophenoxy)propanoic acid|2-(2,4-Dichlorophenoxy)propionic acid|2,4-Dichlorophenoxy-alpha-propionic acid|2,4-DP|3-06-00-00707|Acide 2-(2,4-dichloro-phenoxy) propionique|Acido 2-(2,4-dicloro-fenossi)-propionico|alpha-(2,4-Dichlorophenoxy) propionic acid|alpha-(2,4-Dichlorophenoxy)propionic acid|BRN 2213812|Canapur DP|Caswell No. 320|Celatox DP|Celatox-dp|Cornox RK|Cornox RK 64|Cornoxynil|Dichloprop|Dichloroprop|Dichlorprop acid|diclorprop|Dicopur DP|Dikofag DP|EINECS 204-390-5|EPA Pesticide Chemical Code 031401|Hedonal DP|Herbizid DP|Hormatox|Kwas 2,4-dwuchlorofenoksypropionowy|Kyselina 2-(2,4-dichlorfenoxy)propionova|Mayclene|NSC 39624|Oxytril P|Polyclene|Polymone|Polytox|Propanoic acid, 2-(2,4-dichlorophenoxy)-|Propionic acid|7547-66-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020440
ARPathway2016 ARPathway2016_666 Dichlorprop 120-36-5 DTXSID0020440 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(OC1=C(Cl)C=C(Cl)C=C1)C(O)=O Dichlorprop 120-36-5|Dichlorprop|(+/-)-2-(2,4-Dichlorophenoxy)propanoic acid|(+/-)-2-(2,4-Dichlorophenoxy)propionic acid|(+/-)-2,4-DP|(+/-)-Dichlorprop|(2RS)-2-(2,4-dichlorophenoxy)propionic acid|2-(2,4-Dichloor-fenoxy)-propionzuur|2-(2,4-Dichlor-phenoxy)-propionsaeure|2-(2,4-Dichlorophenoxy) propionic acid|2-(2,4-Dichlorophenoxy)propanoic acid|2-(2,4-Dichlorophenoxy)propionic acid|2,4-Dichlorophenoxy-alpha-propionic acid|2,4-DP|3-06-00-00707|Acide 2-(2,4-dichloro-phenoxy) propionique|Acido 2-(2,4-dicloro-fenossi)-propionico|alpha-(2,4-Dichlorophenoxy) propionic acid|alpha-(2,4-Dichlorophenoxy)propionic acid|BRN 2213812|Canapur DP|Caswell No. 320|Celatox DP|Celatox-dp|Cornox RK|Cornox RK 64|Cornoxynil|Dichloprop|Dichloroprop|Dichlorprop acid|diclorprop|Dicopur DP|Dikofag DP|EINECS 204-390-5|EPA Pesticide Chemical Code 031401|Hedonal DP|Herbizid DP|Hormatox|Kwas 2,4-dwuchlorofenoksypropionowy|Kyselina 2-(2,4-dichlorfenoxy)propionova|Mayclene|NSC 39624|Oxytril P|Polyclene|Polymone|Polytox|Propanoic acid, 2-(2,4-dichlorophenoxy)-|Propionic acid|7547-66-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020440
ARPathway2016 ARPathway2016_666 Dichlorprop 120-36-5 DTXSID0020440 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(OC1=C(Cl)C=C(Cl)C=C1)C(O)=O Dichlorprop 120-36-5|Dichlorprop|(+/-)-2-(2,4-Dichlorophenoxy)propanoic acid|(+/-)-2-(2,4-Dichlorophenoxy)propionic acid|(+/-)-2,4-DP|(+/-)-Dichlorprop|(2RS)-2-(2,4-dichlorophenoxy)propionic acid|2-(2,4-Dichloor-fenoxy)-propionzuur|2-(2,4-Dichlor-phenoxy)-propionsaeure|2-(2,4-Dichlorophenoxy) propionic acid|2-(2,4-Dichlorophenoxy)propanoic acid|2-(2,4-Dichlorophenoxy)propionic acid|2,4-Dichlorophenoxy-alpha-propionic acid|2,4-DP|3-06-00-00707|Acide 2-(2,4-dichloro-phenoxy) propionique|Acido 2-(2,4-dicloro-fenossi)-propionico|alpha-(2,4-Dichlorophenoxy) propionic acid|alpha-(2,4-Dichlorophenoxy)propionic acid|BRN 2213812|Canapur DP|Caswell No. 320|Celatox DP|Celatox-dp|Cornox RK|Cornox RK 64|Cornoxynil|Dichloprop|Dichloroprop|Dichlorprop acid|diclorprop|Dicopur DP|Dikofag DP|EINECS 204-390-5|EPA Pesticide Chemical Code 031401|Hedonal DP|Herbizid DP|Hormatox|Kwas 2,4-dwuchlorofenoksypropionowy|Kyselina 2-(2,4-dichlorfenoxy)propionova|Mayclene|NSC 39624|Oxytril P|Polyclene|Polymone|Polytox|Propanoic acid, 2-(2,4-dichlorophenoxy)-|Propionic acid|7547-66-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020440
ERPathway2016 ERPathway2016_1208 Dichlorprop 120-36-5 DTXSID0020440 ER Pathway Model, Agonist Model Score 0 Unitless CC(OC1=C(Cl)C=C(Cl)C=C1)C(O)=O Dichlorprop 120-36-5|Dichlorprop|(+/-)-2-(2,4-Dichlorophenoxy)propanoic acid|(+/-)-2-(2,4-Dichlorophenoxy)propionic acid|(+/-)-2,4-DP|(+/-)-Dichlorprop|(2RS)-2-(2,4-dichlorophenoxy)propionic acid|2-(2,4-Dichloor-fenoxy)-propionzuur|2-(2,4-Dichlor-phenoxy)-propionsaeure|2-(2,4-Dichlorophenoxy) propionic acid|2-(2,4-Dichlorophenoxy)propanoic acid|2-(2,4-Dichlorophenoxy)propionic acid|2,4-Dichlorophenoxy-alpha-propionic acid|2,4-DP|3-06-00-00707|Acide 2-(2,4-dichloro-phenoxy) propionique|Acido 2-(2,4-dicloro-fenossi)-propionico|alpha-(2,4-Dichlorophenoxy) propionic acid|alpha-(2,4-Dichlorophenoxy)propionic acid|BRN 2213812|Canapur DP|Caswell No. 320|Celatox DP|Celatox-dp|Cornox RK|Cornox RK 64|Cornoxynil|Dichloprop|Dichloroprop|Dichlorprop acid|diclorprop|Dicopur DP|Dikofag DP|EINECS 204-390-5|EPA Pesticide Chemical Code 031401|Hedonal DP|Herbizid DP|Hormatox|Kwas 2,4-dwuchlorofenoksypropionowy|Kyselina 2-(2,4-dichlorfenoxy)propionova|Mayclene|NSC 39624|Oxytril P|Polyclene|Polymone|Polytox|Propanoic acid, 2-(2,4-dichlorophenoxy)-|Propionic acid|7547-66-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020440
ERPathway2016 ERPathway2016_1208 Dichlorprop 120-36-5 DTXSID0020440 ER Pathway Model, Antagonist Model Score 0 Unitless CC(OC1=C(Cl)C=C(Cl)C=C1)C(O)=O Dichlorprop 120-36-5|Dichlorprop|(+/-)-2-(2,4-Dichlorophenoxy)propanoic acid|(+/-)-2-(2,4-Dichlorophenoxy)propionic acid|(+/-)-2,4-DP|(+/-)-Dichlorprop|(2RS)-2-(2,4-dichlorophenoxy)propionic acid|2-(2,4-Dichloor-fenoxy)-propionzuur|2-(2,4-Dichlor-phenoxy)-propionsaeure|2-(2,4-Dichlorophenoxy) propionic acid|2-(2,4-Dichlorophenoxy)propanoic acid|2-(2,4-Dichlorophenoxy)propionic acid|2,4-Dichlorophenoxy-alpha-propionic acid|2,4-DP|3-06-00-00707|Acide 2-(2,4-dichloro-phenoxy) propionique|Acido 2-(2,4-dicloro-fenossi)-propionico|alpha-(2,4-Dichlorophenoxy) propionic acid|alpha-(2,4-Dichlorophenoxy)propionic acid|BRN 2213812|Canapur DP|Caswell No. 320|Celatox DP|Celatox-dp|Cornox RK|Cornox RK 64|Cornoxynil|Dichloprop|Dichloroprop|Dichlorprop acid|diclorprop|Dicopur DP|Dikofag DP|EINECS 204-390-5|EPA Pesticide Chemical Code 031401|Hedonal DP|Herbizid DP|Hormatox|Kwas 2,4-dwuchlorofenoksypropionowy|Kyselina 2-(2,4-dichlorfenoxy)propionova|Mayclene|NSC 39624|Oxytril P|Polyclene|Polymone|Polytox|Propanoic acid, 2-(2,4-dichlorophenoxy)-|Propionic acid|7547-66-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020440
ERPathway2016 ERPathway2016_1208 Dichlorprop 120-36-5 DTXSID0020440 ER Pathway Model, Agonist Call Inactive Unitless CC(OC1=C(Cl)C=C(Cl)C=C1)C(O)=O Dichlorprop 120-36-5|Dichlorprop|(+/-)-2-(2,4-Dichlorophenoxy)propanoic acid|(+/-)-2-(2,4-Dichlorophenoxy)propionic acid|(+/-)-2,4-DP|(+/-)-Dichlorprop|(2RS)-2-(2,4-dichlorophenoxy)propionic acid|2-(2,4-Dichloor-fenoxy)-propionzuur|2-(2,4-Dichlor-phenoxy)-propionsaeure|2-(2,4-Dichlorophenoxy) propionic acid|2-(2,4-Dichlorophenoxy)propanoic acid|2-(2,4-Dichlorophenoxy)propionic acid|2,4-Dichlorophenoxy-alpha-propionic acid|2,4-DP|3-06-00-00707|Acide 2-(2,4-dichloro-phenoxy) propionique|Acido 2-(2,4-dicloro-fenossi)-propionico|alpha-(2,4-Dichlorophenoxy) propionic acid|alpha-(2,4-Dichlorophenoxy)propionic acid|BRN 2213812|Canapur DP|Caswell No. 320|Celatox DP|Celatox-dp|Cornox RK|Cornox RK 64|Cornoxynil|Dichloprop|Dichloroprop|Dichlorprop acid|diclorprop|Dicopur DP|Dikofag DP|EINECS 204-390-5|EPA Pesticide Chemical Code 031401|Hedonal DP|Herbizid DP|Hormatox|Kwas 2,4-dwuchlorofenoksypropionowy|Kyselina 2-(2,4-dichlorfenoxy)propionova|Mayclene|NSC 39624|Oxytril P|Polyclene|Polymone|Polytox|Propanoic acid, 2-(2,4-dichlorophenoxy)-|Propionic acid|7547-66-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020440
ERPathway2016 ERPathway2016_1208 Dichlorprop 120-36-5 DTXSID0020440 ER Pathway Model, Antagonist Call Inactive Unitless CC(OC1=C(Cl)C=C(Cl)C=C1)C(O)=O Dichlorprop 120-36-5|Dichlorprop|(+/-)-2-(2,4-Dichlorophenoxy)propanoic acid|(+/-)-2-(2,4-Dichlorophenoxy)propionic acid|(+/-)-2,4-DP|(+/-)-Dichlorprop|(2RS)-2-(2,4-dichlorophenoxy)propionic acid|2-(2,4-Dichloor-fenoxy)-propionzuur|2-(2,4-Dichlor-phenoxy)-propionsaeure|2-(2,4-Dichlorophenoxy) propionic acid|2-(2,4-Dichlorophenoxy)propanoic acid|2-(2,4-Dichlorophenoxy)propionic acid|2,4-Dichlorophenoxy-alpha-propionic acid|2,4-DP|3-06-00-00707|Acide 2-(2,4-dichloro-phenoxy) propionique|Acido 2-(2,4-dicloro-fenossi)-propionico|alpha-(2,4-Dichlorophenoxy) propionic acid|alpha-(2,4-Dichlorophenoxy)propionic acid|BRN 2213812|Canapur DP|Caswell No. 320|Celatox DP|Celatox-dp|Cornox RK|Cornox RK 64|Cornoxynil|Dichloprop|Dichloroprop|Dichlorprop acid|diclorprop|Dicopur DP|Dikofag DP|EINECS 204-390-5|EPA Pesticide Chemical Code 031401|Hedonal DP|Herbizid DP|Hormatox|Kwas 2,4-dwuchlorofenoksypropionowy|Kyselina 2-(2,4-dichlorfenoxy)propionova|Mayclene|NSC 39624|Oxytril P|Polyclene|Polymone|Polytox|Propanoic acid, 2-(2,4-dichlorophenoxy)-|Propionic acid|7547-66-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020440
ARPathway2016 ARPathway2016_1417 Dichlorvos 62-73-7 DTXSID5020449 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COP(=O)(OC)OC=C(Cl)Cl Dichlorvos 62-73-7|Dichlorvos|(2,2-Dichloor-vinyl)-dimethyl-fosfaat|(2,2-Dichlor-vinyl)-dimethyl-phosphat|(2,2-Dichloro-vinil)dimetil-fosfato|2,2-Dichloroethenyl dimethyl phosphate|2,2-Dichloroethenyl phosphoric acid dimethyl ester|2,2-Dichlorovinyl dimethyl phosphate|Astrobot|Atgard C|Atgard V|Bayer 19149|Bibesol|Brevinyl|Brevinyl E 50|Brevinyl E50|BRN 1709141|Canogard|Caswell No. 328|Chlorvinphos|DDVP|Dedevap|Denkavepon|Deriban|Derribante|Devikol|Dichlofos|Dichloorvo|Dichlorfos|Dichlorman|Dichlorophos|Dichlorovinphos|DICHLOROVINYL DIMETHYL PHOSPHATE|Dichlorovos|Dichlorphos|Dichlorvos [Phosphoric acid, 2,2-dichloroethenyl dimethyl ester]|Dichlorvosum|diclorvos|Dimethyl 2,2-dichloroethenyl phosphate|Dimethyl 2,2-dichlorovinyl phosphate|Dimethyl dichlorovinyl phosphate|DIMETHYL PHOSPHATE, 2,2-DICHLOROVINYL|Dimethyl-2,2-dichlorovinyl phosphate|Dimethyldichlorovinyl phosphate|Divipan|EINECS 200-547-7|EPA Pesticide Chemical Code 084001|Equigard|Equigel|Estrosel|Estrosol|Ethenol, 2,2-dichloro-, dimethyl phosphate|Fly fighter|Fly-Die|Insectigas|11095-17-3|11096-21-2|11111-31-2|11126-72-0|116788-91-1|12772-40-6|55819-32-4|62139-95-1|62655-59-8|8023-22-1|8072-21-7|8072-39-7|8076-16-2|95828-55-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020449 https://doi.org/10.22427/NTP-DATA-DTXSID5020449
ARPathway2016 ARPathway2016_1417 Dichlorvos 62-73-7 DTXSID5020449 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COP(=O)(OC)OC=C(Cl)Cl Dichlorvos 62-73-7|Dichlorvos|(2,2-Dichloor-vinyl)-dimethyl-fosfaat|(2,2-Dichlor-vinyl)-dimethyl-phosphat|(2,2-Dichloro-vinil)dimetil-fosfato|2,2-Dichloroethenyl dimethyl phosphate|2,2-Dichloroethenyl phosphoric acid dimethyl ester|2,2-Dichlorovinyl dimethyl phosphate|Astrobot|Atgard C|Atgard V|Bayer 19149|Bibesol|Brevinyl|Brevinyl E 50|Brevinyl E50|BRN 1709141|Canogard|Caswell No. 328|Chlorvinphos|DDVP|Dedevap|Denkavepon|Deriban|Derribante|Devikol|Dichlofos|Dichloorvo|Dichlorfos|Dichlorman|Dichlorophos|Dichlorovinphos|DICHLOROVINYL DIMETHYL PHOSPHATE|Dichlorovos|Dichlorphos|Dichlorvos [Phosphoric acid, 2,2-dichloroethenyl dimethyl ester]|Dichlorvosum|diclorvos|Dimethyl 2,2-dichloroethenyl phosphate|Dimethyl 2,2-dichlorovinyl phosphate|Dimethyl dichlorovinyl phosphate|DIMETHYL PHOSPHATE, 2,2-DICHLOROVINYL|Dimethyl-2,2-dichlorovinyl phosphate|Dimethyldichlorovinyl phosphate|Divipan|EINECS 200-547-7|EPA Pesticide Chemical Code 084001|Equigard|Equigel|Estrosel|Estrosol|Ethenol, 2,2-dichloro-, dimethyl phosphate|Fly fighter|Fly-Die|Insectigas|11095-17-3|11096-21-2|11111-31-2|11126-72-0|116788-91-1|12772-40-6|55819-32-4|62139-95-1|62655-59-8|8023-22-1|8072-21-7|8072-39-7|8076-16-2|95828-55-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020449 https://doi.org/10.22427/NTP-DATA-DTXSID5020449
ARPathway2016 ARPathway2016_1417 Dichlorvos 62-73-7 DTXSID5020449 0.0 AR Pathway Model, Agonist Call Inactive Unitless COP(=O)(OC)OC=C(Cl)Cl Dichlorvos 62-73-7|Dichlorvos|(2,2-Dichloor-vinyl)-dimethyl-fosfaat|(2,2-Dichlor-vinyl)-dimethyl-phosphat|(2,2-Dichloro-vinil)dimetil-fosfato|2,2-Dichloroethenyl dimethyl phosphate|2,2-Dichloroethenyl phosphoric acid dimethyl ester|2,2-Dichlorovinyl dimethyl phosphate|Astrobot|Atgard C|Atgard V|Bayer 19149|Bibesol|Brevinyl|Brevinyl E 50|Brevinyl E50|BRN 1709141|Canogard|Caswell No. 328|Chlorvinphos|DDVP|Dedevap|Denkavepon|Deriban|Derribante|Devikol|Dichlofos|Dichloorvo|Dichlorfos|Dichlorman|Dichlorophos|Dichlorovinphos|DICHLOROVINYL DIMETHYL PHOSPHATE|Dichlorovos|Dichlorphos|Dichlorvos [Phosphoric acid, 2,2-dichloroethenyl dimethyl ester]|Dichlorvosum|diclorvos|Dimethyl 2,2-dichloroethenyl phosphate|Dimethyl 2,2-dichlorovinyl phosphate|Dimethyl dichlorovinyl phosphate|DIMETHYL PHOSPHATE, 2,2-DICHLOROVINYL|Dimethyl-2,2-dichlorovinyl phosphate|Dimethyldichlorovinyl phosphate|Divipan|EINECS 200-547-7|EPA Pesticide Chemical Code 084001|Equigard|Equigel|Estrosel|Estrosol|Ethenol, 2,2-dichloro-, dimethyl phosphate|Fly fighter|Fly-Die|Insectigas|11095-17-3|11096-21-2|11111-31-2|11126-72-0|116788-91-1|12772-40-6|55819-32-4|62139-95-1|62655-59-8|8023-22-1|8072-21-7|8072-39-7|8076-16-2|95828-55-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020449 https://doi.org/10.22427/NTP-DATA-DTXSID5020449
ARPathway2016 ARPathway2016_1417 Dichlorvos 62-73-7 DTXSID5020449 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COP(=O)(OC)OC=C(Cl)Cl Dichlorvos 62-73-7|Dichlorvos|(2,2-Dichloor-vinyl)-dimethyl-fosfaat|(2,2-Dichlor-vinyl)-dimethyl-phosphat|(2,2-Dichloro-vinil)dimetil-fosfato|2,2-Dichloroethenyl dimethyl phosphate|2,2-Dichloroethenyl phosphoric acid dimethyl ester|2,2-Dichlorovinyl dimethyl phosphate|Astrobot|Atgard C|Atgard V|Bayer 19149|Bibesol|Brevinyl|Brevinyl E 50|Brevinyl E50|BRN 1709141|Canogard|Caswell No. 328|Chlorvinphos|DDVP|Dedevap|Denkavepon|Deriban|Derribante|Devikol|Dichlofos|Dichloorvo|Dichlorfos|Dichlorman|Dichlorophos|Dichlorovinphos|DICHLOROVINYL DIMETHYL PHOSPHATE|Dichlorovos|Dichlorphos|Dichlorvos [Phosphoric acid, 2,2-dichloroethenyl dimethyl ester]|Dichlorvosum|diclorvos|Dimethyl 2,2-dichloroethenyl phosphate|Dimethyl 2,2-dichlorovinyl phosphate|Dimethyl dichlorovinyl phosphate|DIMETHYL PHOSPHATE, 2,2-DICHLOROVINYL|Dimethyl-2,2-dichlorovinyl phosphate|Dimethyldichlorovinyl phosphate|Divipan|EINECS 200-547-7|EPA Pesticide Chemical Code 084001|Equigard|Equigel|Estrosel|Estrosol|Ethenol, 2,2-dichloro-, dimethyl phosphate|Fly fighter|Fly-Die|Insectigas|11095-17-3|11096-21-2|11111-31-2|11126-72-0|116788-91-1|12772-40-6|55819-32-4|62139-95-1|62655-59-8|8023-22-1|8072-21-7|8072-39-7|8076-16-2|95828-55-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020449 https://doi.org/10.22427/NTP-DATA-DTXSID5020449
ERPathway2016 ERPathway2016_1581 Dichlorvos 62-73-7 DTXSID5020449 ER Pathway Model, Agonist Model Score 0 Unitless COP(=O)(OC)OC=C(Cl)Cl Dichlorvos 62-73-7|Dichlorvos|(2,2-Dichloor-vinyl)-dimethyl-fosfaat|(2,2-Dichlor-vinyl)-dimethyl-phosphat|(2,2-Dichloro-vinil)dimetil-fosfato|2,2-Dichloroethenyl dimethyl phosphate|2,2-Dichloroethenyl phosphoric acid dimethyl ester|2,2-Dichlorovinyl dimethyl phosphate|Astrobot|Atgard C|Atgard V|Bayer 19149|Bibesol|Brevinyl|Brevinyl E 50|Brevinyl E50|BRN 1709141|Canogard|Caswell No. 328|Chlorvinphos|DDVP|Dedevap|Denkavepon|Deriban|Derribante|Devikol|Dichlofos|Dichloorvo|Dichlorfos|Dichlorman|Dichlorophos|Dichlorovinphos|DICHLOROVINYL DIMETHYL PHOSPHATE|Dichlorovos|Dichlorphos|Dichlorvos [Phosphoric acid, 2,2-dichloroethenyl dimethyl ester]|Dichlorvosum|diclorvos|Dimethyl 2,2-dichloroethenyl phosphate|Dimethyl 2,2-dichlorovinyl phosphate|Dimethyl dichlorovinyl phosphate|DIMETHYL PHOSPHATE, 2,2-DICHLOROVINYL|Dimethyl-2,2-dichlorovinyl phosphate|Dimethyldichlorovinyl phosphate|Divipan|EINECS 200-547-7|EPA Pesticide Chemical Code 084001|Equigard|Equigel|Estrosel|Estrosol|Ethenol, 2,2-dichloro-, dimethyl phosphate|Fly fighter|Fly-Die|Insectigas|11095-17-3|11096-21-2|11111-31-2|11126-72-0|116788-91-1|12772-40-6|55819-32-4|62139-95-1|62655-59-8|8023-22-1|8072-21-7|8072-39-7|8076-16-2|95828-55-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020449 https://doi.org/10.22427/NTP-DATA-DTXSID5020449
ERPathway2016 ERPathway2016_1581 Dichlorvos 62-73-7 DTXSID5020449 ER Pathway Model, Antagonist Model Score 0 Unitless COP(=O)(OC)OC=C(Cl)Cl Dichlorvos 62-73-7|Dichlorvos|(2,2-Dichloor-vinyl)-dimethyl-fosfaat|(2,2-Dichlor-vinyl)-dimethyl-phosphat|(2,2-Dichloro-vinil)dimetil-fosfato|2,2-Dichloroethenyl dimethyl phosphate|2,2-Dichloroethenyl phosphoric acid dimethyl ester|2,2-Dichlorovinyl dimethyl phosphate|Astrobot|Atgard C|Atgard V|Bayer 19149|Bibesol|Brevinyl|Brevinyl E 50|Brevinyl E50|BRN 1709141|Canogard|Caswell No. 328|Chlorvinphos|DDVP|Dedevap|Denkavepon|Deriban|Derribante|Devikol|Dichlofos|Dichloorvo|Dichlorfos|Dichlorman|Dichlorophos|Dichlorovinphos|DICHLOROVINYL DIMETHYL PHOSPHATE|Dichlorovos|Dichlorphos|Dichlorvos [Phosphoric acid, 2,2-dichloroethenyl dimethyl ester]|Dichlorvosum|diclorvos|Dimethyl 2,2-dichloroethenyl phosphate|Dimethyl 2,2-dichlorovinyl phosphate|Dimethyl dichlorovinyl phosphate|DIMETHYL PHOSPHATE, 2,2-DICHLOROVINYL|Dimethyl-2,2-dichlorovinyl phosphate|Dimethyldichlorovinyl phosphate|Divipan|EINECS 200-547-7|EPA Pesticide Chemical Code 084001|Equigard|Equigel|Estrosel|Estrosol|Ethenol, 2,2-dichloro-, dimethyl phosphate|Fly fighter|Fly-Die|Insectigas|11095-17-3|11096-21-2|11111-31-2|11126-72-0|116788-91-1|12772-40-6|55819-32-4|62139-95-1|62655-59-8|8023-22-1|8072-21-7|8072-39-7|8076-16-2|95828-55-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020449 https://doi.org/10.22427/NTP-DATA-DTXSID5020449
ERPathway2016 ERPathway2016_1581 Dichlorvos 62-73-7 DTXSID5020449 ER Pathway Model, Agonist Call Inactive Unitless COP(=O)(OC)OC=C(Cl)Cl Dichlorvos 62-73-7|Dichlorvos|(2,2-Dichloor-vinyl)-dimethyl-fosfaat|(2,2-Dichlor-vinyl)-dimethyl-phosphat|(2,2-Dichloro-vinil)dimetil-fosfato|2,2-Dichloroethenyl dimethyl phosphate|2,2-Dichloroethenyl phosphoric acid dimethyl ester|2,2-Dichlorovinyl dimethyl phosphate|Astrobot|Atgard C|Atgard V|Bayer 19149|Bibesol|Brevinyl|Brevinyl E 50|Brevinyl E50|BRN 1709141|Canogard|Caswell No. 328|Chlorvinphos|DDVP|Dedevap|Denkavepon|Deriban|Derribante|Devikol|Dichlofos|Dichloorvo|Dichlorfos|Dichlorman|Dichlorophos|Dichlorovinphos|DICHLOROVINYL DIMETHYL PHOSPHATE|Dichlorovos|Dichlorphos|Dichlorvos [Phosphoric acid, 2,2-dichloroethenyl dimethyl ester]|Dichlorvosum|diclorvos|Dimethyl 2,2-dichloroethenyl phosphate|Dimethyl 2,2-dichlorovinyl phosphate|Dimethyl dichlorovinyl phosphate|DIMETHYL PHOSPHATE, 2,2-DICHLOROVINYL|Dimethyl-2,2-dichlorovinyl phosphate|Dimethyldichlorovinyl phosphate|Divipan|EINECS 200-547-7|EPA Pesticide Chemical Code 084001|Equigard|Equigel|Estrosel|Estrosol|Ethenol, 2,2-dichloro-, dimethyl phosphate|Fly fighter|Fly-Die|Insectigas|11095-17-3|11096-21-2|11111-31-2|11126-72-0|116788-91-1|12772-40-6|55819-32-4|62139-95-1|62655-59-8|8023-22-1|8072-21-7|8072-39-7|8076-16-2|95828-55-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020449 https://doi.org/10.22427/NTP-DATA-DTXSID5020449
ERPathway2016 ERPathway2016_1581 Dichlorvos 62-73-7 DTXSID5020449 ER Pathway Model, Antagonist Call Inactive Unitless COP(=O)(OC)OC=C(Cl)Cl Dichlorvos 62-73-7|Dichlorvos|(2,2-Dichloor-vinyl)-dimethyl-fosfaat|(2,2-Dichlor-vinyl)-dimethyl-phosphat|(2,2-Dichloro-vinil)dimetil-fosfato|2,2-Dichloroethenyl dimethyl phosphate|2,2-Dichloroethenyl phosphoric acid dimethyl ester|2,2-Dichlorovinyl dimethyl phosphate|Astrobot|Atgard C|Atgard V|Bayer 19149|Bibesol|Brevinyl|Brevinyl E 50|Brevinyl E50|BRN 1709141|Canogard|Caswell No. 328|Chlorvinphos|DDVP|Dedevap|Denkavepon|Deriban|Derribante|Devikol|Dichlofos|Dichloorvo|Dichlorfos|Dichlorman|Dichlorophos|Dichlorovinphos|DICHLOROVINYL DIMETHYL PHOSPHATE|Dichlorovos|Dichlorphos|Dichlorvos [Phosphoric acid, 2,2-dichloroethenyl dimethyl ester]|Dichlorvosum|diclorvos|Dimethyl 2,2-dichloroethenyl phosphate|Dimethyl 2,2-dichlorovinyl phosphate|Dimethyl dichlorovinyl phosphate|DIMETHYL PHOSPHATE, 2,2-DICHLOROVINYL|Dimethyl-2,2-dichlorovinyl phosphate|Dimethyldichlorovinyl phosphate|Divipan|EINECS 200-547-7|EPA Pesticide Chemical Code 084001|Equigard|Equigel|Estrosel|Estrosol|Ethenol, 2,2-dichloro-, dimethyl phosphate|Fly fighter|Fly-Die|Insectigas|11095-17-3|11096-21-2|11111-31-2|11126-72-0|116788-91-1|12772-40-6|55819-32-4|62139-95-1|62655-59-8|8023-22-1|8072-21-7|8072-39-7|8076-16-2|95828-55-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020449 https://doi.org/10.22427/NTP-DATA-DTXSID5020449
ARPathway2016 ARPathway2016_888 Diclofenac sodium 15307-79-6 DTXSID3037208 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C(=O)CC1=C(NC2=C(Cl)C=CC=C2Cl)C=CC=C1 Diclofenac sodium 15307-79-6|Diclofenac sodium|(o-(2,6-Dichloroanilino)phenyl)acetic acid monosodium salt|(o-(2,6-dichloroanilino)phenyl)acetic acid sodium salt|[2-[(2,6-dichlorophenyl)amino]phenyl]acetate de sodium|[2-[(2,6-diclorofenil)amino]fenil]acetato de sodio|[o-(2,6-Dichloroanilino)phenyl]acetic acid sodium salt|{2-[(2,6-Dichlorophenyl)amino]phenyl}acetate de sodium|2-((2,6-dichlorophenyl)amino)benzeneacetic acid monosodium salt|2-(2,6-Dichloroanilino)phenylacetic acid sodium salt|2-[(2,6-Dichlorophenyl)amino]benzene acetic acid monosodium salt|Abitren|Acetic acid, o-(2,6-dichloroanilino)phenyl-, monosodium salt|Allvoran|Anthraxiton|Assaren|Batafil|Benfofen|Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, monosodium salt|Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monosodium salt|Cataflam|Delimon|Delphimix|Diacron|Dichronic|Diclo-Phlogont|Diclo-Puren|Diclobene|Diclobenin|Diclodyn|Diclofen SR 100|Diclofenac sodium salt|Diclofenac sodium topical gel|Diclofenac-Na Emulgel|Diclofenacsodium Emulgel|Diclokalium|Diclophenac sodium|Diclord|Dicl https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037208
ARPathway2016 ARPathway2016_888 Diclofenac sodium 15307-79-6 DTXSID3037208 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C(=O)CC1=C(NC2=C(Cl)C=CC=C2Cl)C=CC=C1 Diclofenac sodium 15307-79-6|Diclofenac sodium|(o-(2,6-Dichloroanilino)phenyl)acetic acid monosodium salt|(o-(2,6-dichloroanilino)phenyl)acetic acid sodium salt|[2-[(2,6-dichlorophenyl)amino]phenyl]acetate de sodium|[2-[(2,6-diclorofenil)amino]fenil]acetato de sodio|[o-(2,6-Dichloroanilino)phenyl]acetic acid sodium salt|{2-[(2,6-Dichlorophenyl)amino]phenyl}acetate de sodium|2-((2,6-dichlorophenyl)amino)benzeneacetic acid monosodium salt|2-(2,6-Dichloroanilino)phenylacetic acid sodium salt|2-[(2,6-Dichlorophenyl)amino]benzene acetic acid monosodium salt|Abitren|Acetic acid, o-(2,6-dichloroanilino)phenyl-, monosodium salt|Allvoran|Anthraxiton|Assaren|Batafil|Benfofen|Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, monosodium salt|Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monosodium salt|Cataflam|Delimon|Delphimix|Diacron|Dichronic|Diclo-Phlogont|Diclo-Puren|Diclobene|Diclobenin|Diclodyn|Diclofen SR 100|Diclofenac sodium salt|Diclofenac sodium topical gel|Diclofenac-Na Emulgel|Diclofenacsodium Emulgel|Diclokalium|Diclophenac sodium|Diclord|Dicl https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037208
ARPathway2016 ARPathway2016_888 Diclofenac sodium 15307-79-6 DTXSID3037208 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C(=O)CC1=C(NC2=C(Cl)C=CC=C2Cl)C=CC=C1 Diclofenac sodium 15307-79-6|Diclofenac sodium|(o-(2,6-Dichloroanilino)phenyl)acetic acid monosodium salt|(o-(2,6-dichloroanilino)phenyl)acetic acid sodium salt|[2-[(2,6-dichlorophenyl)amino]phenyl]acetate de sodium|[2-[(2,6-diclorofenil)amino]fenil]acetato de sodio|[o-(2,6-Dichloroanilino)phenyl]acetic acid sodium salt|{2-[(2,6-Dichlorophenyl)amino]phenyl}acetate de sodium|2-((2,6-dichlorophenyl)amino)benzeneacetic acid monosodium salt|2-(2,6-Dichloroanilino)phenylacetic acid sodium salt|2-[(2,6-Dichlorophenyl)amino]benzene acetic acid monosodium salt|Abitren|Acetic acid, o-(2,6-dichloroanilino)phenyl-, monosodium salt|Allvoran|Anthraxiton|Assaren|Batafil|Benfofen|Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, monosodium salt|Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monosodium salt|Cataflam|Delimon|Delphimix|Diacron|Dichronic|Diclo-Phlogont|Diclo-Puren|Diclobene|Diclobenin|Diclodyn|Diclofen SR 100|Diclofenac sodium salt|Diclofenac sodium topical gel|Diclofenac-Na Emulgel|Diclofenacsodium Emulgel|Diclokalium|Diclophenac sodium|Diclord|Dicl https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037208
ARPathway2016 ARPathway2016_888 Diclofenac sodium 15307-79-6 DTXSID3037208 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C(=O)CC1=C(NC2=C(Cl)C=CC=C2Cl)C=CC=C1 Diclofenac sodium 15307-79-6|Diclofenac sodium|(o-(2,6-Dichloroanilino)phenyl)acetic acid monosodium salt|(o-(2,6-dichloroanilino)phenyl)acetic acid sodium salt|[2-[(2,6-dichlorophenyl)amino]phenyl]acetate de sodium|[2-[(2,6-diclorofenil)amino]fenil]acetato de sodio|[o-(2,6-Dichloroanilino)phenyl]acetic acid sodium salt|{2-[(2,6-Dichlorophenyl)amino]phenyl}acetate de sodium|2-((2,6-dichlorophenyl)amino)benzeneacetic acid monosodium salt|2-(2,6-Dichloroanilino)phenylacetic acid sodium salt|2-[(2,6-Dichlorophenyl)amino]benzene acetic acid monosodium salt|Abitren|Acetic acid, o-(2,6-dichloroanilino)phenyl-, monosodium salt|Allvoran|Anthraxiton|Assaren|Batafil|Benfofen|Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, monosodium salt|Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monosodium salt|Cataflam|Delimon|Delphimix|Diacron|Dichronic|Diclo-Phlogont|Diclo-Puren|Diclobene|Diclobenin|Diclodyn|Diclofen SR 100|Diclofenac sodium salt|Diclofenac sodium topical gel|Diclofenac-Na Emulgel|Diclofenacsodium Emulgel|Diclokalium|Diclophenac sodium|Diclord|Dicl https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037208
ERPathway2016 ERPathway2016_625 Diclofenac sodium 15307-79-6 DTXSID3037208 A17 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C(=O)CC1=C(NC2=C(Cl)C=CC=C2Cl)C=CC=C1 Diclofenac sodium 15307-79-6|Diclofenac sodium|(o-(2,6-Dichloroanilino)phenyl)acetic acid monosodium salt|(o-(2,6-dichloroanilino)phenyl)acetic acid sodium salt|[2-[(2,6-dichlorophenyl)amino]phenyl]acetate de sodium|[2-[(2,6-diclorofenil)amino]fenil]acetato de sodio|[o-(2,6-Dichloroanilino)phenyl]acetic acid sodium salt|{2-[(2,6-Dichlorophenyl)amino]phenyl}acetate de sodium|2-((2,6-dichlorophenyl)amino)benzeneacetic acid monosodium salt|2-(2,6-Dichloroanilino)phenylacetic acid sodium salt|2-[(2,6-Dichlorophenyl)amino]benzene acetic acid monosodium salt|Abitren|Acetic acid, o-(2,6-dichloroanilino)phenyl-, monosodium salt|Allvoran|Anthraxiton|Assaren|Batafil|Benfofen|Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, monosodium salt|Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monosodium salt|Cataflam|Delimon|Delphimix|Diacron|Dichronic|Diclo-Phlogont|Diclo-Puren|Diclobene|Diclobenin|Diclodyn|Diclofen SR 100|Diclofenac sodium salt|Diclofenac sodium topical gel|Diclofenac-Na Emulgel|Diclofenacsodium Emulgel|Diclokalium|Diclophenac sodium|Diclord|Dicl https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037208
ERPathway2016 ERPathway2016_625 Diclofenac sodium 15307-79-6 DTXSID3037208 A17 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C(=O)CC1=C(NC2=C(Cl)C=CC=C2Cl)C=CC=C1 Diclofenac sodium 15307-79-6|Diclofenac sodium|(o-(2,6-Dichloroanilino)phenyl)acetic acid monosodium salt|(o-(2,6-dichloroanilino)phenyl)acetic acid sodium salt|[2-[(2,6-dichlorophenyl)amino]phenyl]acetate de sodium|[2-[(2,6-diclorofenil)amino]fenil]acetato de sodio|[o-(2,6-Dichloroanilino)phenyl]acetic acid sodium salt|{2-[(2,6-Dichlorophenyl)amino]phenyl}acetate de sodium|2-((2,6-dichlorophenyl)amino)benzeneacetic acid monosodium salt|2-(2,6-Dichloroanilino)phenylacetic acid sodium salt|2-[(2,6-Dichlorophenyl)amino]benzene acetic acid monosodium salt|Abitren|Acetic acid, o-(2,6-dichloroanilino)phenyl-, monosodium salt|Allvoran|Anthraxiton|Assaren|Batafil|Benfofen|Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, monosodium salt|Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monosodium salt|Cataflam|Delimon|Delphimix|Diacron|Dichronic|Diclo-Phlogont|Diclo-Puren|Diclobene|Diclobenin|Diclodyn|Diclofen SR 100|Diclofenac sodium salt|Diclofenac sodium topical gel|Diclofenac-Na Emulgel|Diclofenacsodium Emulgel|Diclokalium|Diclophenac sodium|Diclord|Dicl https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037208
ERPathway2016 ERPathway2016_625 Diclofenac sodium 15307-79-6 DTXSID3037208 A17 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C(=O)CC1=C(NC2=C(Cl)C=CC=C2Cl)C=CC=C1 Diclofenac sodium 15307-79-6|Diclofenac sodium|(o-(2,6-Dichloroanilino)phenyl)acetic acid monosodium salt|(o-(2,6-dichloroanilino)phenyl)acetic acid sodium salt|[2-[(2,6-dichlorophenyl)amino]phenyl]acetate de sodium|[2-[(2,6-diclorofenil)amino]fenil]acetato de sodio|[o-(2,6-Dichloroanilino)phenyl]acetic acid sodium salt|{2-[(2,6-Dichlorophenyl)amino]phenyl}acetate de sodium|2-((2,6-dichlorophenyl)amino)benzeneacetic acid monosodium salt|2-(2,6-Dichloroanilino)phenylacetic acid sodium salt|2-[(2,6-Dichlorophenyl)amino]benzene acetic acid monosodium salt|Abitren|Acetic acid, o-(2,6-dichloroanilino)phenyl-, monosodium salt|Allvoran|Anthraxiton|Assaren|Batafil|Benfofen|Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, monosodium salt|Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monosodium salt|Cataflam|Delimon|Delphimix|Diacron|Dichronic|Diclo-Phlogont|Diclo-Puren|Diclobene|Diclobenin|Diclodyn|Diclofen SR 100|Diclofenac sodium salt|Diclofenac sodium topical gel|Diclofenac-Na Emulgel|Diclofenacsodium Emulgel|Diclokalium|Diclophenac sodium|Diclord|Dicl https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037208
ERPathway2016 ERPathway2016_625 Diclofenac sodium 15307-79-6 DTXSID3037208 A17 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C(=O)CC1=C(NC2=C(Cl)C=CC=C2Cl)C=CC=C1 Diclofenac sodium 15307-79-6|Diclofenac sodium|(o-(2,6-Dichloroanilino)phenyl)acetic acid monosodium salt|(o-(2,6-dichloroanilino)phenyl)acetic acid sodium salt|[2-[(2,6-dichlorophenyl)amino]phenyl]acetate de sodium|[2-[(2,6-diclorofenil)amino]fenil]acetato de sodio|[o-(2,6-Dichloroanilino)phenyl]acetic acid sodium salt|{2-[(2,6-Dichlorophenyl)amino]phenyl}acetate de sodium|2-((2,6-dichlorophenyl)amino)benzeneacetic acid monosodium salt|2-(2,6-Dichloroanilino)phenylacetic acid sodium salt|2-[(2,6-Dichlorophenyl)amino]benzene acetic acid monosodium salt|Abitren|Acetic acid, o-(2,6-dichloroanilino)phenyl-, monosodium salt|Allvoran|Anthraxiton|Assaren|Batafil|Benfofen|Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, monosodium salt|Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monosodium salt|Cataflam|Delimon|Delphimix|Diacron|Dichronic|Diclo-Phlogont|Diclo-Puren|Diclobene|Diclobenin|Diclodyn|Diclofen SR 100|Diclofenac sodium salt|Diclofenac sodium topical gel|Diclofenac-Na Emulgel|Diclofenacsodium Emulgel|Diclokalium|Diclophenac sodium|Diclord|Dicl https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037208
ARPathway2016 ARPathway2016_861 Diclosulam 145701-21-9 DTXSID4034528 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC1=NC(F)=CC2=NC(=NN12)S(=O)(=O)NC1=C(Cl)C=CC=C1Cl Diclosulam 145701-21-9|Diclosulam|(1,2,4)Triazolo(1,5-c)pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-|[1,2,4]Triazolo[1,5-c]pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-|N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro-(1,2,4)triazolo(1,5-c)pyrimidine-2-sulfonamide|N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide|Strongarm|UNII-6X5DO0I08Z|XDE 564 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034528
ARPathway2016 ARPathway2016_861 Diclosulam 145701-21-9 DTXSID4034528 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC1=NC(F)=CC2=NC(=NN12)S(=O)(=O)NC1=C(Cl)C=CC=C1Cl Diclosulam 145701-21-9|Diclosulam|(1,2,4)Triazolo(1,5-c)pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-|[1,2,4]Triazolo[1,5-c]pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-|N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro-(1,2,4)triazolo(1,5-c)pyrimidine-2-sulfonamide|N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide|Strongarm|UNII-6X5DO0I08Z|XDE 564 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034528
ARPathway2016 ARPathway2016_861 Diclosulam 145701-21-9 DTXSID4034528 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC1=NC(F)=CC2=NC(=NN12)S(=O)(=O)NC1=C(Cl)C=CC=C1Cl Diclosulam 145701-21-9|Diclosulam|(1,2,4)Triazolo(1,5-c)pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-|[1,2,4]Triazolo[1,5-c]pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-|N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro-(1,2,4)triazolo(1,5-c)pyrimidine-2-sulfonamide|N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide|Strongarm|UNII-6X5DO0I08Z|XDE 564 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034528
ARPathway2016 ARPathway2016_861 Diclosulam 145701-21-9 DTXSID4034528 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC1=NC(F)=CC2=NC(=NN12)S(=O)(=O)NC1=C(Cl)C=CC=C1Cl Diclosulam 145701-21-9|Diclosulam|(1,2,4)Triazolo(1,5-c)pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-|[1,2,4]Triazolo[1,5-c]pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-|N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro-(1,2,4)triazolo(1,5-c)pyrimidine-2-sulfonamide|N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide|Strongarm|UNII-6X5DO0I08Z|XDE 564 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034528
ERPathway2016 ERPathway2016_1310 Diclosulam 145701-21-9 DTXSID4034528 ER Pathway Model, Agonist Model Score 0 Unitless CCOC1=NC(F)=CC2=NC(=NN12)S(=O)(=O)NC1=C(Cl)C=CC=C1Cl Diclosulam 145701-21-9|Diclosulam|(1,2,4)Triazolo(1,5-c)pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-|[1,2,4]Triazolo[1,5-c]pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-|N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro-(1,2,4)triazolo(1,5-c)pyrimidine-2-sulfonamide|N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide|Strongarm|UNII-6X5DO0I08Z|XDE 564 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034528
ERPathway2016 ERPathway2016_1310 Diclosulam 145701-21-9 DTXSID4034528 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC1=NC(F)=CC2=NC(=NN12)S(=O)(=O)NC1=C(Cl)C=CC=C1Cl Diclosulam 145701-21-9|Diclosulam|(1,2,4)Triazolo(1,5-c)pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-|[1,2,4]Triazolo[1,5-c]pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-|N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro-(1,2,4)triazolo(1,5-c)pyrimidine-2-sulfonamide|N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide|Strongarm|UNII-6X5DO0I08Z|XDE 564 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034528
ERPathway2016 ERPathway2016_1310 Diclosulam 145701-21-9 DTXSID4034528 ER Pathway Model, Agonist Call Inactive Unitless CCOC1=NC(F)=CC2=NC(=NN12)S(=O)(=O)NC1=C(Cl)C=CC=C1Cl Diclosulam 145701-21-9|Diclosulam|(1,2,4)Triazolo(1,5-c)pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-|[1,2,4]Triazolo[1,5-c]pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-|N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro-(1,2,4)triazolo(1,5-c)pyrimidine-2-sulfonamide|N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide|Strongarm|UNII-6X5DO0I08Z|XDE 564 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034528
ERPathway2016 ERPathway2016_1310 Diclosulam 145701-21-9 DTXSID4034528 ER Pathway Model, Antagonist Call Inactive Unitless CCOC1=NC(F)=CC2=NC(=NN12)S(=O)(=O)NC1=C(Cl)C=CC=C1Cl Diclosulam 145701-21-9|Diclosulam|(1,2,4)Triazolo(1,5-c)pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-|[1,2,4]Triazolo[1,5-c]pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-|N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro-(1,2,4)triazolo(1,5-c)pyrimidine-2-sulfonamide|N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide|Strongarm|UNII-6X5DO0I08Z|XDE 564 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034528
ARPathway2016 ARPathway2016_23 Dicofol 115-32-2 DTXSID4020450 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 36.83562477 uM OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl Dicofol 115-32-2|Dicofol|[1,1-bis(4-Chlorophenyl)-2,2,2-trichloroethanol]|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)2,2,2-trichloroethanol|1,1,1-Trichlor-2,2-bis(4-chlorphenyl)-aethanol|2,2,2-Trichloor-1,1-bis(4-chloor-fenyl)-ethanol|2,2,2-Trichlor-1,1-bis(4-chlor-phenyl)-aethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)-ethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-bis(4-cloro-fenil)-etanolo|2,2,2-Trichloro-1,1-bis(p-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di-(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di(4-chlorophenyl)ethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzyl alcohol|4-Chloro-a-(4-chlorophenyl)-a-(trichloromethyl)benzenemethanol|4-Chloro-a-(4-chlorophenyl)a-(trichloromethyl)benzenemethanol|4,4'-dichloro-alpha-(trichloromethyl)benzhydrol|4,4'-Dichloro-a-(trichloromethyl)benzhydrol|Acarin|Agravertin|Benzenemethanol, 4-chloro-a-|55599-54-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020450 https://doi.org/10.22427/NTP-DATA-DTXSID4020450
ARPathway2016 ARPathway2016_23 Dicofol 115-32-2 DTXSID4020450 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 35.84491222 uM OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl Dicofol 115-32-2|Dicofol|[1,1-bis(4-Chlorophenyl)-2,2,2-trichloroethanol]|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)2,2,2-trichloroethanol|1,1,1-Trichlor-2,2-bis(4-chlorphenyl)-aethanol|2,2,2-Trichloor-1,1-bis(4-chloor-fenyl)-ethanol|2,2,2-Trichlor-1,1-bis(4-chlor-phenyl)-aethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)-ethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-bis(4-cloro-fenil)-etanolo|2,2,2-Trichloro-1,1-bis(p-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di-(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di(4-chlorophenyl)ethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzyl alcohol|4-Chloro-a-(4-chlorophenyl)-a-(trichloromethyl)benzenemethanol|4-Chloro-a-(4-chlorophenyl)a-(trichloromethyl)benzenemethanol|4,4'-dichloro-alpha-(trichloromethyl)benzhydrol|4,4'-Dichloro-a-(trichloromethyl)benzhydrol|Acarin|Agravertin|Benzenemethanol, 4-chloro-a-|55599-54-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020450 https://doi.org/10.22427/NTP-DATA-DTXSID4020450
ARPathway2016 ARPathway2016_23 Dicofol 115-32-2 DTXSID4020450 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0833 Unitless OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl Dicofol 115-32-2|Dicofol|[1,1-bis(4-Chlorophenyl)-2,2,2-trichloroethanol]|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)2,2,2-trichloroethanol|1,1,1-Trichlor-2,2-bis(4-chlorphenyl)-aethanol|2,2,2-Trichloor-1,1-bis(4-chloor-fenyl)-ethanol|2,2,2-Trichlor-1,1-bis(4-chlor-phenyl)-aethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)-ethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-bis(4-cloro-fenil)-etanolo|2,2,2-Trichloro-1,1-bis(p-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di-(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di(4-chlorophenyl)ethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzyl alcohol|4-Chloro-a-(4-chlorophenyl)-a-(trichloromethyl)benzenemethanol|4-Chloro-a-(4-chlorophenyl)a-(trichloromethyl)benzenemethanol|4,4'-dichloro-alpha-(trichloromethyl)benzhydrol|4,4'-Dichloro-a-(trichloromethyl)benzhydrol|Acarin|Agravertin|Benzenemethanol, 4-chloro-a-|55599-54-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020450 https://doi.org/10.22427/NTP-DATA-DTXSID4020450
ARPathway2016 ARPathway2016_23 Dicofol 115-32-2 DTXSID4020450 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl Dicofol 115-32-2|Dicofol|[1,1-bis(4-Chlorophenyl)-2,2,2-trichloroethanol]|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)2,2,2-trichloroethanol|1,1,1-Trichlor-2,2-bis(4-chlorphenyl)-aethanol|2,2,2-Trichloor-1,1-bis(4-chloor-fenyl)-ethanol|2,2,2-Trichlor-1,1-bis(4-chlor-phenyl)-aethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)-ethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-bis(4-cloro-fenil)-etanolo|2,2,2-Trichloro-1,1-bis(p-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di-(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di(4-chlorophenyl)ethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzyl alcohol|4-Chloro-a-(4-chlorophenyl)-a-(trichloromethyl)benzenemethanol|4-Chloro-a-(4-chlorophenyl)a-(trichloromethyl)benzenemethanol|4,4'-dichloro-alpha-(trichloromethyl)benzhydrol|4,4'-Dichloro-a-(trichloromethyl)benzhydrol|Acarin|Agravertin|Benzenemethanol, 4-chloro-a-|55599-54-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020450 https://doi.org/10.22427/NTP-DATA-DTXSID4020450
ARPathway2016 ARPathway2016_23 Dicofol 115-32-2 DTXSID4020450 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl Dicofol 115-32-2|Dicofol|[1,1-bis(4-Chlorophenyl)-2,2,2-trichloroethanol]|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)2,2,2-trichloroethanol|1,1,1-Trichlor-2,2-bis(4-chlorphenyl)-aethanol|2,2,2-Trichloor-1,1-bis(4-chloor-fenyl)-ethanol|2,2,2-Trichlor-1,1-bis(4-chlor-phenyl)-aethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)-ethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-bis(4-cloro-fenil)-etanolo|2,2,2-Trichloro-1,1-bis(p-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di-(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di(4-chlorophenyl)ethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzyl alcohol|4-Chloro-a-(4-chlorophenyl)-a-(trichloromethyl)benzenemethanol|4-Chloro-a-(4-chlorophenyl)a-(trichloromethyl)benzenemethanol|4,4'-dichloro-alpha-(trichloromethyl)benzhydrol|4,4'-Dichloro-a-(trichloromethyl)benzhydrol|Acarin|Agravertin|Benzenemethanol, 4-chloro-a-|55599-54-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020450 https://doi.org/10.22427/NTP-DATA-DTXSID4020450
ARPathway2016 ARPathway2016_23 Dicofol 115-32-2 DTXSID4020450 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl Dicofol 115-32-2|Dicofol|[1,1-bis(4-Chlorophenyl)-2,2,2-trichloroethanol]|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)2,2,2-trichloroethanol|1,1,1-Trichlor-2,2-bis(4-chlorphenyl)-aethanol|2,2,2-Trichloor-1,1-bis(4-chloor-fenyl)-ethanol|2,2,2-Trichlor-1,1-bis(4-chlor-phenyl)-aethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)-ethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-bis(4-cloro-fenil)-etanolo|2,2,2-Trichloro-1,1-bis(p-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di-(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di(4-chlorophenyl)ethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzyl alcohol|4-Chloro-a-(4-chlorophenyl)-a-(trichloromethyl)benzenemethanol|4-Chloro-a-(4-chlorophenyl)a-(trichloromethyl)benzenemethanol|4,4'-dichloro-alpha-(trichloromethyl)benzhydrol|4,4'-Dichloro-a-(trichloromethyl)benzhydrol|Acarin|Agravertin|Benzenemethanol, 4-chloro-a-|55599-54-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020450 https://doi.org/10.22427/NTP-DATA-DTXSID4020450
ERPathway2016 ERPathway2016_95 Dicofol 115-32-2 DTXSID4020450 ER Pathway Model, Agonist AC50 14.7777787768547 uM OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl Dicofol 115-32-2|Dicofol|[1,1-bis(4-Chlorophenyl)-2,2,2-trichloroethanol]|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)2,2,2-trichloroethanol|1,1,1-Trichlor-2,2-bis(4-chlorphenyl)-aethanol|2,2,2-Trichloor-1,1-bis(4-chloor-fenyl)-ethanol|2,2,2-Trichlor-1,1-bis(4-chlor-phenyl)-aethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)-ethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-bis(4-cloro-fenil)-etanolo|2,2,2-Trichloro-1,1-bis(p-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di-(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di(4-chlorophenyl)ethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzyl alcohol|4-Chloro-a-(4-chlorophenyl)-a-(trichloromethyl)benzenemethanol|4-Chloro-a-(4-chlorophenyl)a-(trichloromethyl)benzenemethanol|4,4'-dichloro-alpha-(trichloromethyl)benzhydrol|4,4'-Dichloro-a-(trichloromethyl)benzhydrol|Acarin|Agravertin|Benzenemethanol, 4-chloro-a-|55599-54-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020450 https://doi.org/10.22427/NTP-DATA-DTXSID4020450
ERPathway2016 ERPathway2016_95 Dicofol 115-32-2 DTXSID4020450 ER Pathway Model, Agonist ACC 17.4280381585055 uM OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl Dicofol 115-32-2|Dicofol|[1,1-bis(4-Chlorophenyl)-2,2,2-trichloroethanol]|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)2,2,2-trichloroethanol|1,1,1-Trichlor-2,2-bis(4-chlorphenyl)-aethanol|2,2,2-Trichloor-1,1-bis(4-chloor-fenyl)-ethanol|2,2,2-Trichlor-1,1-bis(4-chlor-phenyl)-aethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)-ethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-bis(4-cloro-fenil)-etanolo|2,2,2-Trichloro-1,1-bis(p-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di-(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di(4-chlorophenyl)ethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzyl alcohol|4-Chloro-a-(4-chlorophenyl)-a-(trichloromethyl)benzenemethanol|4-Chloro-a-(4-chlorophenyl)a-(trichloromethyl)benzenemethanol|4,4'-dichloro-alpha-(trichloromethyl)benzhydrol|4,4'-Dichloro-a-(trichloromethyl)benzhydrol|Acarin|Agravertin|Benzenemethanol, 4-chloro-a-|55599-54-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020450 https://doi.org/10.22427/NTP-DATA-DTXSID4020450
ERPathway2016 ERPathway2016_95 Dicofol 115-32-2 DTXSID4020450 ER Pathway Model, Agonist Model Score 0 Unitless OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl Dicofol 115-32-2|Dicofol|[1,1-bis(4-Chlorophenyl)-2,2,2-trichloroethanol]|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)2,2,2-trichloroethanol|1,1,1-Trichlor-2,2-bis(4-chlorphenyl)-aethanol|2,2,2-Trichloor-1,1-bis(4-chloor-fenyl)-ethanol|2,2,2-Trichlor-1,1-bis(4-chlor-phenyl)-aethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)-ethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-bis(4-cloro-fenil)-etanolo|2,2,2-Trichloro-1,1-bis(p-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di-(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di(4-chlorophenyl)ethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzyl alcohol|4-Chloro-a-(4-chlorophenyl)-a-(trichloromethyl)benzenemethanol|4-Chloro-a-(4-chlorophenyl)a-(trichloromethyl)benzenemethanol|4,4'-dichloro-alpha-(trichloromethyl)benzhydrol|4,4'-Dichloro-a-(trichloromethyl)benzhydrol|Acarin|Agravertin|Benzenemethanol, 4-chloro-a-|55599-54-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020450 https://doi.org/10.22427/NTP-DATA-DTXSID4020450
ERPathway2016 ERPathway2016_95 Dicofol 115-32-2 DTXSID4020450 ER Pathway Model, Antagonist Model Score 0.0229 Unitless OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl Dicofol 115-32-2|Dicofol|[1,1-bis(4-Chlorophenyl)-2,2,2-trichloroethanol]|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)2,2,2-trichloroethanol|1,1,1-Trichlor-2,2-bis(4-chlorphenyl)-aethanol|2,2,2-Trichloor-1,1-bis(4-chloor-fenyl)-ethanol|2,2,2-Trichlor-1,1-bis(4-chlor-phenyl)-aethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)-ethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-bis(4-cloro-fenil)-etanolo|2,2,2-Trichloro-1,1-bis(p-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di-(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di(4-chlorophenyl)ethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzyl alcohol|4-Chloro-a-(4-chlorophenyl)-a-(trichloromethyl)benzenemethanol|4-Chloro-a-(4-chlorophenyl)a-(trichloromethyl)benzenemethanol|4,4'-dichloro-alpha-(trichloromethyl)benzhydrol|4,4'-Dichloro-a-(trichloromethyl)benzhydrol|Acarin|Agravertin|Benzenemethanol, 4-chloro-a-|55599-54-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020450 https://doi.org/10.22427/NTP-DATA-DTXSID4020450
ERPathway2016 ERPathway2016_95 Dicofol 115-32-2 DTXSID4020450 ER Pathway Model, Agonist Call Active Unitless OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl Dicofol 115-32-2|Dicofol|[1,1-bis(4-Chlorophenyl)-2,2,2-trichloroethanol]|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)2,2,2-trichloroethanol|1,1,1-Trichlor-2,2-bis(4-chlorphenyl)-aethanol|2,2,2-Trichloor-1,1-bis(4-chloor-fenyl)-ethanol|2,2,2-Trichlor-1,1-bis(4-chlor-phenyl)-aethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)-ethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-bis(4-cloro-fenil)-etanolo|2,2,2-Trichloro-1,1-bis(p-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di-(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di(4-chlorophenyl)ethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzyl alcohol|4-Chloro-a-(4-chlorophenyl)-a-(trichloromethyl)benzenemethanol|4-Chloro-a-(4-chlorophenyl)a-(trichloromethyl)benzenemethanol|4,4'-dichloro-alpha-(trichloromethyl)benzhydrol|4,4'-Dichloro-a-(trichloromethyl)benzhydrol|Acarin|Agravertin|Benzenemethanol, 4-chloro-a-|55599-54-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020450 https://doi.org/10.22427/NTP-DATA-DTXSID4020450
ERPathway2016 ERPathway2016_95 Dicofol 115-32-2 DTXSID4020450 ER Pathway Model, Antagonist Call Inactive Unitless OC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl Dicofol 115-32-2|Dicofol|[1,1-bis(4-Chlorophenyl)-2,2,2-trichloroethanol]|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethanol|1,1-Bis(p-chlorophenyl)2,2,2-trichloroethanol|1,1,1-Trichlor-2,2-bis(4-chlorphenyl)-aethanol|2,2,2-Trichloor-1,1-bis(4-chloor-fenyl)-ethanol|2,2,2-Trichlor-1,1-bis(4-chlor-phenyl)-aethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)-ethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-bis(4-cloro-fenil)-etanolo|2,2,2-Trichloro-1,1-bis(p-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di-(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-di(4-chlorophenyl)ethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzyl alcohol|4-Chloro-a-(4-chlorophenyl)-a-(trichloromethyl)benzenemethanol|4-Chloro-a-(4-chlorophenyl)a-(trichloromethyl)benzenemethanol|4,4'-dichloro-alpha-(trichloromethyl)benzhydrol|4,4'-Dichloro-a-(trichloromethyl)benzhydrol|Acarin|Agravertin|Benzenemethanol, 4-chloro-a-|55599-54-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020450 https://doi.org/10.22427/NTP-DATA-DTXSID4020450
ARPathway2016 ARPathway2016_839 Dicrotophos 141-66-2 DTXSID9023914 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COP(=O)(OC)OC(C)=CC(=O)N(C)C Dicrotophos 141-66-2|Dicrotophos|(E)-2-Dimethylcarbamoyl-1-methylvinyl dimethyl phosphate|(E)-3-(Dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate|(E)-3-(dimethylamino)-1-methyl-3-oxoprop-1-enyl dimethyl phosphate|(E)-3-(Dimethylamino)-1-methyl-3-oxoprop-1-enyldimethylphosphat|(E)-Phosphoric acid, 3-(dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester|2-Dimethyl cis-2-dimethyl-carbamoyl-1-methylvinyl phosphate|3-(Dimethoxyphosphinyloxy)-N,N-dimethyl-cis-crotonamide|3-(Dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate (E)-isomer|3-Dimethoxyphosphinoyloxy-N,N-dimethylisocrotonamide|3-Dimethoxyphosphinyloxy-N,N-dimethylisocrotonamide|3-Hydroxy-N,N-dimethyl-cis-crotonamide dimethyl phosphate|3-Hydroxydimethyl crotonamide dimethyl phosphate|Acido fosforico, (1E)-3-(dimetilamino)-1-metil-3-oxo-1-propen-1-il dimetil ester|Bidrin|Bidrin 8|BRN 1880084|Carbicron|Carbomicron|Caswell No. 376|cis-2-Dimethylcarbamoyl-1-methylvinyl dimethylphosphate|Crotonamide, 3-hydroxy-N-N-dimethyl-, dimethyl phosphate, (E)-|Crotonamide, 3-hydrox https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023914
ARPathway2016 ARPathway2016_839 Dicrotophos 141-66-2 DTXSID9023914 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COP(=O)(OC)OC(C)=CC(=O)N(C)C Dicrotophos 141-66-2|Dicrotophos|(E)-2-Dimethylcarbamoyl-1-methylvinyl dimethyl phosphate|(E)-3-(Dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate|(E)-3-(dimethylamino)-1-methyl-3-oxoprop-1-enyl dimethyl phosphate|(E)-3-(Dimethylamino)-1-methyl-3-oxoprop-1-enyldimethylphosphat|(E)-Phosphoric acid, 3-(dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester|2-Dimethyl cis-2-dimethyl-carbamoyl-1-methylvinyl phosphate|3-(Dimethoxyphosphinyloxy)-N,N-dimethyl-cis-crotonamide|3-(Dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate (E)-isomer|3-Dimethoxyphosphinoyloxy-N,N-dimethylisocrotonamide|3-Dimethoxyphosphinyloxy-N,N-dimethylisocrotonamide|3-Hydroxy-N,N-dimethyl-cis-crotonamide dimethyl phosphate|3-Hydroxydimethyl crotonamide dimethyl phosphate|Acido fosforico, (1E)-3-(dimetilamino)-1-metil-3-oxo-1-propen-1-il dimetil ester|Bidrin|Bidrin 8|BRN 1880084|Carbicron|Carbomicron|Caswell No. 376|cis-2-Dimethylcarbamoyl-1-methylvinyl dimethylphosphate|Crotonamide, 3-hydroxy-N-N-dimethyl-, dimethyl phosphate, (E)-|Crotonamide, 3-hydrox https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023914
ARPathway2016 ARPathway2016_839 Dicrotophos 141-66-2 DTXSID9023914 0.0 AR Pathway Model, Agonist Call Inactive Unitless COP(=O)(OC)OC(C)=CC(=O)N(C)C Dicrotophos 141-66-2|Dicrotophos|(E)-2-Dimethylcarbamoyl-1-methylvinyl dimethyl phosphate|(E)-3-(Dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate|(E)-3-(dimethylamino)-1-methyl-3-oxoprop-1-enyl dimethyl phosphate|(E)-3-(Dimethylamino)-1-methyl-3-oxoprop-1-enyldimethylphosphat|(E)-Phosphoric acid, 3-(dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester|2-Dimethyl cis-2-dimethyl-carbamoyl-1-methylvinyl phosphate|3-(Dimethoxyphosphinyloxy)-N,N-dimethyl-cis-crotonamide|3-(Dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate (E)-isomer|3-Dimethoxyphosphinoyloxy-N,N-dimethylisocrotonamide|3-Dimethoxyphosphinyloxy-N,N-dimethylisocrotonamide|3-Hydroxy-N,N-dimethyl-cis-crotonamide dimethyl phosphate|3-Hydroxydimethyl crotonamide dimethyl phosphate|Acido fosforico, (1E)-3-(dimetilamino)-1-metil-3-oxo-1-propen-1-il dimetil ester|Bidrin|Bidrin 8|BRN 1880084|Carbicron|Carbomicron|Caswell No. 376|cis-2-Dimethylcarbamoyl-1-methylvinyl dimethylphosphate|Crotonamide, 3-hydroxy-N-N-dimethyl-, dimethyl phosphate, (E)-|Crotonamide, 3-hydrox https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023914
ARPathway2016 ARPathway2016_839 Dicrotophos 141-66-2 DTXSID9023914 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COP(=O)(OC)OC(C)=CC(=O)N(C)C Dicrotophos 141-66-2|Dicrotophos|(E)-2-Dimethylcarbamoyl-1-methylvinyl dimethyl phosphate|(E)-3-(Dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate|(E)-3-(dimethylamino)-1-methyl-3-oxoprop-1-enyl dimethyl phosphate|(E)-3-(Dimethylamino)-1-methyl-3-oxoprop-1-enyldimethylphosphat|(E)-Phosphoric acid, 3-(dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester|2-Dimethyl cis-2-dimethyl-carbamoyl-1-methylvinyl phosphate|3-(Dimethoxyphosphinyloxy)-N,N-dimethyl-cis-crotonamide|3-(Dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate (E)-isomer|3-Dimethoxyphosphinoyloxy-N,N-dimethylisocrotonamide|3-Dimethoxyphosphinyloxy-N,N-dimethylisocrotonamide|3-Hydroxy-N,N-dimethyl-cis-crotonamide dimethyl phosphate|3-Hydroxydimethyl crotonamide dimethyl phosphate|Acido fosforico, (1E)-3-(dimetilamino)-1-metil-3-oxo-1-propen-1-il dimetil ester|Bidrin|Bidrin 8|BRN 1880084|Carbicron|Carbomicron|Caswell No. 376|cis-2-Dimethylcarbamoyl-1-methylvinyl dimethylphosphate|Crotonamide, 3-hydroxy-N-N-dimethyl-, dimethyl phosphate, (E)-|Crotonamide, 3-hydrox https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023914
ERPathway2016 ERPathway2016_518 Dicrotophos 141-66-2 DTXSID9023914 A13 ER Pathway Model, Agonist Model Score 0 Unitless COP(=O)(OC)OC(C)=CC(=O)N(C)C Dicrotophos 141-66-2|Dicrotophos|(E)-2-Dimethylcarbamoyl-1-methylvinyl dimethyl phosphate|(E)-3-(Dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate|(E)-3-(dimethylamino)-1-methyl-3-oxoprop-1-enyl dimethyl phosphate|(E)-3-(Dimethylamino)-1-methyl-3-oxoprop-1-enyldimethylphosphat|(E)-Phosphoric acid, 3-(dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester|2-Dimethyl cis-2-dimethyl-carbamoyl-1-methylvinyl phosphate|3-(Dimethoxyphosphinyloxy)-N,N-dimethyl-cis-crotonamide|3-(Dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate (E)-isomer|3-Dimethoxyphosphinoyloxy-N,N-dimethylisocrotonamide|3-Dimethoxyphosphinyloxy-N,N-dimethylisocrotonamide|3-Hydroxy-N,N-dimethyl-cis-crotonamide dimethyl phosphate|3-Hydroxydimethyl crotonamide dimethyl phosphate|Acido fosforico, (1E)-3-(dimetilamino)-1-metil-3-oxo-1-propen-1-il dimetil ester|Bidrin|Bidrin 8|BRN 1880084|Carbicron|Carbomicron|Caswell No. 376|cis-2-Dimethylcarbamoyl-1-methylvinyl dimethylphosphate|Crotonamide, 3-hydroxy-N-N-dimethyl-, dimethyl phosphate, (E)-|Crotonamide, 3-hydrox https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023914
ERPathway2016 ERPathway2016_518 Dicrotophos 141-66-2 DTXSID9023914 A13 ER Pathway Model, Antagonist Model Score 0 Unitless COP(=O)(OC)OC(C)=CC(=O)N(C)C Dicrotophos 141-66-2|Dicrotophos|(E)-2-Dimethylcarbamoyl-1-methylvinyl dimethyl phosphate|(E)-3-(Dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate|(E)-3-(dimethylamino)-1-methyl-3-oxoprop-1-enyl dimethyl phosphate|(E)-3-(Dimethylamino)-1-methyl-3-oxoprop-1-enyldimethylphosphat|(E)-Phosphoric acid, 3-(dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester|2-Dimethyl cis-2-dimethyl-carbamoyl-1-methylvinyl phosphate|3-(Dimethoxyphosphinyloxy)-N,N-dimethyl-cis-crotonamide|3-(Dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate (E)-isomer|3-Dimethoxyphosphinoyloxy-N,N-dimethylisocrotonamide|3-Dimethoxyphosphinyloxy-N,N-dimethylisocrotonamide|3-Hydroxy-N,N-dimethyl-cis-crotonamide dimethyl phosphate|3-Hydroxydimethyl crotonamide dimethyl phosphate|Acido fosforico, (1E)-3-(dimetilamino)-1-metil-3-oxo-1-propen-1-il dimetil ester|Bidrin|Bidrin 8|BRN 1880084|Carbicron|Carbomicron|Caswell No. 376|cis-2-Dimethylcarbamoyl-1-methylvinyl dimethylphosphate|Crotonamide, 3-hydroxy-N-N-dimethyl-, dimethyl phosphate, (E)-|Crotonamide, 3-hydrox https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023914
ERPathway2016 ERPathway2016_518 Dicrotophos 141-66-2 DTXSID9023914 A13 ER Pathway Model, Agonist Call Inactive Unitless COP(=O)(OC)OC(C)=CC(=O)N(C)C Dicrotophos 141-66-2|Dicrotophos|(E)-2-Dimethylcarbamoyl-1-methylvinyl dimethyl phosphate|(E)-3-(Dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate|(E)-3-(dimethylamino)-1-methyl-3-oxoprop-1-enyl dimethyl phosphate|(E)-3-(Dimethylamino)-1-methyl-3-oxoprop-1-enyldimethylphosphat|(E)-Phosphoric acid, 3-(dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester|2-Dimethyl cis-2-dimethyl-carbamoyl-1-methylvinyl phosphate|3-(Dimethoxyphosphinyloxy)-N,N-dimethyl-cis-crotonamide|3-(Dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate (E)-isomer|3-Dimethoxyphosphinoyloxy-N,N-dimethylisocrotonamide|3-Dimethoxyphosphinyloxy-N,N-dimethylisocrotonamide|3-Hydroxy-N,N-dimethyl-cis-crotonamide dimethyl phosphate|3-Hydroxydimethyl crotonamide dimethyl phosphate|Acido fosforico, (1E)-3-(dimetilamino)-1-metil-3-oxo-1-propen-1-il dimetil ester|Bidrin|Bidrin 8|BRN 1880084|Carbicron|Carbomicron|Caswell No. 376|cis-2-Dimethylcarbamoyl-1-methylvinyl dimethylphosphate|Crotonamide, 3-hydroxy-N-N-dimethyl-, dimethyl phosphate, (E)-|Crotonamide, 3-hydrox https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023914
ERPathway2016 ERPathway2016_518 Dicrotophos 141-66-2 DTXSID9023914 A13 ER Pathway Model, Antagonist Call Inactive Unitless COP(=O)(OC)OC(C)=CC(=O)N(C)C Dicrotophos 141-66-2|Dicrotophos|(E)-2-Dimethylcarbamoyl-1-methylvinyl dimethyl phosphate|(E)-3-(Dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate|(E)-3-(dimethylamino)-1-methyl-3-oxoprop-1-enyl dimethyl phosphate|(E)-3-(Dimethylamino)-1-methyl-3-oxoprop-1-enyldimethylphosphat|(E)-Phosphoric acid, 3-(dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester|2-Dimethyl cis-2-dimethyl-carbamoyl-1-methylvinyl phosphate|3-(Dimethoxyphosphinyloxy)-N,N-dimethyl-cis-crotonamide|3-(Dimethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate (E)-isomer|3-Dimethoxyphosphinoyloxy-N,N-dimethylisocrotonamide|3-Dimethoxyphosphinyloxy-N,N-dimethylisocrotonamide|3-Hydroxy-N,N-dimethyl-cis-crotonamide dimethyl phosphate|3-Hydroxydimethyl crotonamide dimethyl phosphate|Acido fosforico, (1E)-3-(dimetilamino)-1-metil-3-oxo-1-propen-1-il dimetil ester|Bidrin|Bidrin 8|BRN 1880084|Carbicron|Carbomicron|Caswell No. 376|cis-2-Dimethylcarbamoyl-1-methylvinyl dimethylphosphate|Crotonamide, 3-hydroxy-N-N-dimethyl-, dimethyl phosphate, (E)-|Crotonamide, 3-hydrox https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023914
ARPathway2016 ARPathway2016_1604 Dicumyl peroxide 80-43-3 DTXSID1025017 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(OOC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1 Dicumyl peroxide 80-43-3|Dicumyl peroxide|1,1'-(Dioxydipropane-2,2-diyl)dibenzene|4-06-00-03225|Active dicumyl peroxide|alpha,alpha-Dimethylbenzyl peroxide|Bis(1-methyl-1-phenylethyl) peroxide|Bis(2-phenyl-2-propyl) peroxide|Bis(alpha,alpha-dimethylbenzyl)peroxide|bis(a,a-dimethylbenzyl) peroxide|Bis(a,a-dimethylbenzyl)peroxid|BRN 2056090|Cumene peroxide|Cumyl peroxide|Di-Cup 40 KE|Di-Cup 40HAF|Di-Cup 40KE|Di-Cup R|Di-Cup T|Di-cupr|Di-a-cumyl peroxide|Dicumene hydroperoxide|Dicumenyl peroxide|Dicumylperoxide|Diisopropylbenzene peroxide|EINECS 201-279-3|Interox DCUP 1|Interox DCUP 40G|Isopropylbenzene peroxide|Kayacumyl D|Kayacumyl D 40C|Kayacumyl D 40K|Luperco|Luperco 500-40C|Luperco 500-40KE|Luperco 500R|Luperox|Luperox 500|Luperox 500R|Luperox 500T|Luperox 505R|Luperox DC|Luperox DC 40KEP|Luperox DC 40P-SP|Luperox DC 40P-SP2|Luperox DCP 40P|Luperox PP 20|Lupersol 500|Norox DCP|NSC 56772|Percumyl D|Percumyl D 40|Perkadox 96|Perkadox B|Perkadox BC|Perkadox BC 40|Perkadox BC 40B|Perkadox BC 40B-PD|Perkadox BC 40K|Perkadox BC 40KPD|Perkadox BC 9|188070-59-9|209969-79-9|246180-99-4|478016-94-3|82322-57-4|88161-12-0|945614-06-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025017 https://doi.org/10.22427/NTP-DATA-DTXSID1025017
ARPathway2016 ARPathway2016_1604 Dicumyl peroxide 80-43-3 DTXSID1025017 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(OOC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1 Dicumyl peroxide 80-43-3|Dicumyl peroxide|1,1'-(Dioxydipropane-2,2-diyl)dibenzene|4-06-00-03225|Active dicumyl peroxide|alpha,alpha-Dimethylbenzyl peroxide|Bis(1-methyl-1-phenylethyl) peroxide|Bis(2-phenyl-2-propyl) peroxide|Bis(alpha,alpha-dimethylbenzyl)peroxide|bis(a,a-dimethylbenzyl) peroxide|Bis(a,a-dimethylbenzyl)peroxid|BRN 2056090|Cumene peroxide|Cumyl peroxide|Di-Cup 40 KE|Di-Cup 40HAF|Di-Cup 40KE|Di-Cup R|Di-Cup T|Di-cupr|Di-a-cumyl peroxide|Dicumene hydroperoxide|Dicumenyl peroxide|Dicumylperoxide|Diisopropylbenzene peroxide|EINECS 201-279-3|Interox DCUP 1|Interox DCUP 40G|Isopropylbenzene peroxide|Kayacumyl D|Kayacumyl D 40C|Kayacumyl D 40K|Luperco|Luperco 500-40C|Luperco 500-40KE|Luperco 500R|Luperox|Luperox 500|Luperox 500R|Luperox 500T|Luperox 505R|Luperox DC|Luperox DC 40KEP|Luperox DC 40P-SP|Luperox DC 40P-SP2|Luperox DCP 40P|Luperox PP 20|Lupersol 500|Norox DCP|NSC 56772|Percumyl D|Percumyl D 40|Perkadox 96|Perkadox B|Perkadox BC|Perkadox BC 40|Perkadox BC 40B|Perkadox BC 40B-PD|Perkadox BC 40K|Perkadox BC 40KPD|Perkadox BC 9|188070-59-9|209969-79-9|246180-99-4|478016-94-3|82322-57-4|88161-12-0|945614-06-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025017 https://doi.org/10.22427/NTP-DATA-DTXSID1025017
ARPathway2016 ARPathway2016_1604 Dicumyl peroxide 80-43-3 DTXSID1025017 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(OOC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1 Dicumyl peroxide 80-43-3|Dicumyl peroxide|1,1'-(Dioxydipropane-2,2-diyl)dibenzene|4-06-00-03225|Active dicumyl peroxide|alpha,alpha-Dimethylbenzyl peroxide|Bis(1-methyl-1-phenylethyl) peroxide|Bis(2-phenyl-2-propyl) peroxide|Bis(alpha,alpha-dimethylbenzyl)peroxide|bis(a,a-dimethylbenzyl) peroxide|Bis(a,a-dimethylbenzyl)peroxid|BRN 2056090|Cumene peroxide|Cumyl peroxide|Di-Cup 40 KE|Di-Cup 40HAF|Di-Cup 40KE|Di-Cup R|Di-Cup T|Di-cupr|Di-a-cumyl peroxide|Dicumene hydroperoxide|Dicumenyl peroxide|Dicumylperoxide|Diisopropylbenzene peroxide|EINECS 201-279-3|Interox DCUP 1|Interox DCUP 40G|Isopropylbenzene peroxide|Kayacumyl D|Kayacumyl D 40C|Kayacumyl D 40K|Luperco|Luperco 500-40C|Luperco 500-40KE|Luperco 500R|Luperox|Luperox 500|Luperox 500R|Luperox 500T|Luperox 505R|Luperox DC|Luperox DC 40KEP|Luperox DC 40P-SP|Luperox DC 40P-SP2|Luperox DCP 40P|Luperox PP 20|Lupersol 500|Norox DCP|NSC 56772|Percumyl D|Percumyl D 40|Perkadox 96|Perkadox B|Perkadox BC|Perkadox BC 40|Perkadox BC 40B|Perkadox BC 40B-PD|Perkadox BC 40K|Perkadox BC 40KPD|Perkadox BC 9|188070-59-9|209969-79-9|246180-99-4|478016-94-3|82322-57-4|88161-12-0|945614-06-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025017 https://doi.org/10.22427/NTP-DATA-DTXSID1025017
ARPathway2016 ARPathway2016_1604 Dicumyl peroxide 80-43-3 DTXSID1025017 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(OOC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1 Dicumyl peroxide 80-43-3|Dicumyl peroxide|1,1'-(Dioxydipropane-2,2-diyl)dibenzene|4-06-00-03225|Active dicumyl peroxide|alpha,alpha-Dimethylbenzyl peroxide|Bis(1-methyl-1-phenylethyl) peroxide|Bis(2-phenyl-2-propyl) peroxide|Bis(alpha,alpha-dimethylbenzyl)peroxide|bis(a,a-dimethylbenzyl) peroxide|Bis(a,a-dimethylbenzyl)peroxid|BRN 2056090|Cumene peroxide|Cumyl peroxide|Di-Cup 40 KE|Di-Cup 40HAF|Di-Cup 40KE|Di-Cup R|Di-Cup T|Di-cupr|Di-a-cumyl peroxide|Dicumene hydroperoxide|Dicumenyl peroxide|Dicumylperoxide|Diisopropylbenzene peroxide|EINECS 201-279-3|Interox DCUP 1|Interox DCUP 40G|Isopropylbenzene peroxide|Kayacumyl D|Kayacumyl D 40C|Kayacumyl D 40K|Luperco|Luperco 500-40C|Luperco 500-40KE|Luperco 500R|Luperox|Luperox 500|Luperox 500R|Luperox 500T|Luperox 505R|Luperox DC|Luperox DC 40KEP|Luperox DC 40P-SP|Luperox DC 40P-SP2|Luperox DCP 40P|Luperox PP 20|Lupersol 500|Norox DCP|NSC 56772|Percumyl D|Percumyl D 40|Perkadox 96|Perkadox B|Perkadox BC|Perkadox BC 40|Perkadox BC 40B|Perkadox BC 40B-PD|Perkadox BC 40K|Perkadox BC 40KPD|Perkadox BC 9|188070-59-9|209969-79-9|246180-99-4|478016-94-3|82322-57-4|88161-12-0|945614-06-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025017 https://doi.org/10.22427/NTP-DATA-DTXSID1025017
ERPathway2016 ERPathway2016_198 Dicumyl peroxide 80-43-3 DTXSID1025017 Agonist ER Pathway Model, Antagonist AC50 12.3297415551365 uM CC(C)(OOC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1 Dicumyl peroxide 80-43-3|Dicumyl peroxide|1,1'-(Dioxydipropane-2,2-diyl)dibenzene|4-06-00-03225|Active dicumyl peroxide|alpha,alpha-Dimethylbenzyl peroxide|Bis(1-methyl-1-phenylethyl) peroxide|Bis(2-phenyl-2-propyl) peroxide|Bis(alpha,alpha-dimethylbenzyl)peroxide|bis(a,a-dimethylbenzyl) peroxide|Bis(a,a-dimethylbenzyl)peroxid|BRN 2056090|Cumene peroxide|Cumyl peroxide|Di-Cup 40 KE|Di-Cup 40HAF|Di-Cup 40KE|Di-Cup R|Di-Cup T|Di-cupr|Di-a-cumyl peroxide|Dicumene hydroperoxide|Dicumenyl peroxide|Dicumylperoxide|Diisopropylbenzene peroxide|EINECS 201-279-3|Interox DCUP 1|Interox DCUP 40G|Isopropylbenzene peroxide|Kayacumyl D|Kayacumyl D 40C|Kayacumyl D 40K|Luperco|Luperco 500-40C|Luperco 500-40KE|Luperco 500R|Luperox|Luperox 500|Luperox 500R|Luperox 500T|Luperox 505R|Luperox DC|Luperox DC 40KEP|Luperox DC 40P-SP|Luperox DC 40P-SP2|Luperox DCP 40P|Luperox PP 20|Lupersol 500|Norox DCP|NSC 56772|Percumyl D|Percumyl D 40|Perkadox 96|Perkadox B|Perkadox BC|Perkadox BC 40|Perkadox BC 40B|Perkadox BC 40B-PD|Perkadox BC 40K|Perkadox BC 40KPD|Perkadox BC 9|188070-59-9|209969-79-9|246180-99-4|478016-94-3|82322-57-4|88161-12-0|945614-06-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025017 https://doi.org/10.22427/NTP-DATA-DTXSID1025017
ERPathway2016 ERPathway2016_198 Dicumyl peroxide 80-43-3 DTXSID1025017 Agonist ER Pathway Model, Antagonist ACC 4.01556583099996 uM CC(C)(OOC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1 Dicumyl peroxide 80-43-3|Dicumyl peroxide|1,1'-(Dioxydipropane-2,2-diyl)dibenzene|4-06-00-03225|Active dicumyl peroxide|alpha,alpha-Dimethylbenzyl peroxide|Bis(1-methyl-1-phenylethyl) peroxide|Bis(2-phenyl-2-propyl) peroxide|Bis(alpha,alpha-dimethylbenzyl)peroxide|bis(a,a-dimethylbenzyl) peroxide|Bis(a,a-dimethylbenzyl)peroxid|BRN 2056090|Cumene peroxide|Cumyl peroxide|Di-Cup 40 KE|Di-Cup 40HAF|Di-Cup 40KE|Di-Cup R|Di-Cup T|Di-cupr|Di-a-cumyl peroxide|Dicumene hydroperoxide|Dicumenyl peroxide|Dicumylperoxide|Diisopropylbenzene peroxide|EINECS 201-279-3|Interox DCUP 1|Interox DCUP 40G|Isopropylbenzene peroxide|Kayacumyl D|Kayacumyl D 40C|Kayacumyl D 40K|Luperco|Luperco 500-40C|Luperco 500-40KE|Luperco 500R|Luperox|Luperox 500|Luperox 500R|Luperox 500T|Luperox 505R|Luperox DC|Luperox DC 40KEP|Luperox DC 40P-SP|Luperox DC 40P-SP2|Luperox DCP 40P|Luperox PP 20|Lupersol 500|Norox DCP|NSC 56772|Percumyl D|Percumyl D 40|Perkadox 96|Perkadox B|Perkadox BC|Perkadox BC 40|Perkadox BC 40B|Perkadox BC 40B-PD|Perkadox BC 40K|Perkadox BC 40KPD|Perkadox BC 9|188070-59-9|209969-79-9|246180-99-4|478016-94-3|82322-57-4|88161-12-0|945614-06-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025017 https://doi.org/10.22427/NTP-DATA-DTXSID1025017
ERPathway2016 ERPathway2016_198 Dicumyl peroxide 80-43-3 DTXSID1025017 Agonist ER Pathway Model, Agonist Model Score 0.216 Unitless CC(C)(OOC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1 Dicumyl peroxide 80-43-3|Dicumyl peroxide|1,1'-(Dioxydipropane-2,2-diyl)dibenzene|4-06-00-03225|Active dicumyl peroxide|alpha,alpha-Dimethylbenzyl peroxide|Bis(1-methyl-1-phenylethyl) peroxide|Bis(2-phenyl-2-propyl) peroxide|Bis(alpha,alpha-dimethylbenzyl)peroxide|bis(a,a-dimethylbenzyl) peroxide|Bis(a,a-dimethylbenzyl)peroxid|BRN 2056090|Cumene peroxide|Cumyl peroxide|Di-Cup 40 KE|Di-Cup 40HAF|Di-Cup 40KE|Di-Cup R|Di-Cup T|Di-cupr|Di-a-cumyl peroxide|Dicumene hydroperoxide|Dicumenyl peroxide|Dicumylperoxide|Diisopropylbenzene peroxide|EINECS 201-279-3|Interox DCUP 1|Interox DCUP 40G|Isopropylbenzene peroxide|Kayacumyl D|Kayacumyl D 40C|Kayacumyl D 40K|Luperco|Luperco 500-40C|Luperco 500-40KE|Luperco 500R|Luperox|Luperox 500|Luperox 500R|Luperox 500T|Luperox 505R|Luperox DC|Luperox DC 40KEP|Luperox DC 40P-SP|Luperox DC 40P-SP2|Luperox DCP 40P|Luperox PP 20|Lupersol 500|Norox DCP|NSC 56772|Percumyl D|Percumyl D 40|Perkadox 96|Perkadox B|Perkadox BC|Perkadox BC 40|Perkadox BC 40B|Perkadox BC 40B-PD|Perkadox BC 40K|Perkadox BC 40KPD|Perkadox BC 9|188070-59-9|209969-79-9|246180-99-4|478016-94-3|82322-57-4|88161-12-0|945614-06-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025017 https://doi.org/10.22427/NTP-DATA-DTXSID1025017
ERPathway2016 ERPathway2016_198 Dicumyl peroxide 80-43-3 DTXSID1025017 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(OOC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1 Dicumyl peroxide 80-43-3|Dicumyl peroxide|1,1'-(Dioxydipropane-2,2-diyl)dibenzene|4-06-00-03225|Active dicumyl peroxide|alpha,alpha-Dimethylbenzyl peroxide|Bis(1-methyl-1-phenylethyl) peroxide|Bis(2-phenyl-2-propyl) peroxide|Bis(alpha,alpha-dimethylbenzyl)peroxide|bis(a,a-dimethylbenzyl) peroxide|Bis(a,a-dimethylbenzyl)peroxid|BRN 2056090|Cumene peroxide|Cumyl peroxide|Di-Cup 40 KE|Di-Cup 40HAF|Di-Cup 40KE|Di-Cup R|Di-Cup T|Di-cupr|Di-a-cumyl peroxide|Dicumene hydroperoxide|Dicumenyl peroxide|Dicumylperoxide|Diisopropylbenzene peroxide|EINECS 201-279-3|Interox DCUP 1|Interox DCUP 40G|Isopropylbenzene peroxide|Kayacumyl D|Kayacumyl D 40C|Kayacumyl D 40K|Luperco|Luperco 500-40C|Luperco 500-40KE|Luperco 500R|Luperox|Luperox 500|Luperox 500R|Luperox 500T|Luperox 505R|Luperox DC|Luperox DC 40KEP|Luperox DC 40P-SP|Luperox DC 40P-SP2|Luperox DCP 40P|Luperox PP 20|Lupersol 500|Norox DCP|NSC 56772|Percumyl D|Percumyl D 40|Perkadox 96|Perkadox B|Perkadox BC|Perkadox BC 40|Perkadox BC 40B|Perkadox BC 40B-PD|Perkadox BC 40K|Perkadox BC 40KPD|Perkadox BC 9|188070-59-9|209969-79-9|246180-99-4|478016-94-3|82322-57-4|88161-12-0|945614-06-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025017 https://doi.org/10.22427/NTP-DATA-DTXSID1025017
ERPathway2016 ERPathway2016_198 Dicumyl peroxide 80-43-3 DTXSID1025017 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC(C)(OOC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1 Dicumyl peroxide 80-43-3|Dicumyl peroxide|1,1'-(Dioxydipropane-2,2-diyl)dibenzene|4-06-00-03225|Active dicumyl peroxide|alpha,alpha-Dimethylbenzyl peroxide|Bis(1-methyl-1-phenylethyl) peroxide|Bis(2-phenyl-2-propyl) peroxide|Bis(alpha,alpha-dimethylbenzyl)peroxide|bis(a,a-dimethylbenzyl) peroxide|Bis(a,a-dimethylbenzyl)peroxid|BRN 2056090|Cumene peroxide|Cumyl peroxide|Di-Cup 40 KE|Di-Cup 40HAF|Di-Cup 40KE|Di-Cup R|Di-Cup T|Di-cupr|Di-a-cumyl peroxide|Dicumene hydroperoxide|Dicumenyl peroxide|Dicumylperoxide|Diisopropylbenzene peroxide|EINECS 201-279-3|Interox DCUP 1|Interox DCUP 40G|Isopropylbenzene peroxide|Kayacumyl D|Kayacumyl D 40C|Kayacumyl D 40K|Luperco|Luperco 500-40C|Luperco 500-40KE|Luperco 500R|Luperox|Luperox 500|Luperox 500R|Luperox 500T|Luperox 505R|Luperox DC|Luperox DC 40KEP|Luperox DC 40P-SP|Luperox DC 40P-SP2|Luperox DCP 40P|Luperox PP 20|Lupersol 500|Norox DCP|NSC 56772|Percumyl D|Percumyl D 40|Perkadox 96|Perkadox B|Perkadox BC|Perkadox BC 40|Perkadox BC 40B|Perkadox BC 40B-PD|Perkadox BC 40K|Perkadox BC 40KPD|Perkadox BC 9|188070-59-9|209969-79-9|246180-99-4|478016-94-3|82322-57-4|88161-12-0|945614-06-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025017 https://doi.org/10.22427/NTP-DATA-DTXSID1025017
ERPathway2016 ERPathway2016_198 Dicumyl peroxide 80-43-3 DTXSID1025017 Agonist ER Pathway Model, Antagonist Call Active Unitless CC(C)(OOC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1 Dicumyl peroxide 80-43-3|Dicumyl peroxide|1,1'-(Dioxydipropane-2,2-diyl)dibenzene|4-06-00-03225|Active dicumyl peroxide|alpha,alpha-Dimethylbenzyl peroxide|Bis(1-methyl-1-phenylethyl) peroxide|Bis(2-phenyl-2-propyl) peroxide|Bis(alpha,alpha-dimethylbenzyl)peroxide|bis(a,a-dimethylbenzyl) peroxide|Bis(a,a-dimethylbenzyl)peroxid|BRN 2056090|Cumene peroxide|Cumyl peroxide|Di-Cup 40 KE|Di-Cup 40HAF|Di-Cup 40KE|Di-Cup R|Di-Cup T|Di-cupr|Di-a-cumyl peroxide|Dicumene hydroperoxide|Dicumenyl peroxide|Dicumylperoxide|Diisopropylbenzene peroxide|EINECS 201-279-3|Interox DCUP 1|Interox DCUP 40G|Isopropylbenzene peroxide|Kayacumyl D|Kayacumyl D 40C|Kayacumyl D 40K|Luperco|Luperco 500-40C|Luperco 500-40KE|Luperco 500R|Luperox|Luperox 500|Luperox 500R|Luperox 500T|Luperox 505R|Luperox DC|Luperox DC 40KEP|Luperox DC 40P-SP|Luperox DC 40P-SP2|Luperox DCP 40P|Luperox PP 20|Lupersol 500|Norox DCP|NSC 56772|Percumyl D|Percumyl D 40|Perkadox 96|Perkadox B|Perkadox BC|Perkadox BC 40|Perkadox BC 40B|Perkadox BC 40B-PD|Perkadox BC 40K|Perkadox BC 40KPD|Perkadox BC 9|188070-59-9|209969-79-9|246180-99-4|478016-94-3|82322-57-4|88161-12-0|945614-06-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025017 https://doi.org/10.22427/NTP-DATA-DTXSID1025017
ARPathway2016 ARPathway2016_1056 Dicyclohexyl disulfide 2550-40-5 DTXSID4047628 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless C1CCC(CC1)SSC1CCCCC1 Dicyclohexyl disulfide 2550-40-5|Dicyclohexyl disulfide|1,1'-disulfanediyldicyclohexane|Bis(cyclohexyl) disulfide|Bis(cyclohexyl)disulfide|Cyclohexyl disulfide|Disulfide, dicyclohexyl|EINECS 219-851-6|FEMA No. 3448|UNII-6G1A0K504Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047628
ARPathway2016 ARPathway2016_1056 Dicyclohexyl disulfide 2550-40-5 DTXSID4047628 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless C1CCC(CC1)SSC1CCCCC1 Dicyclohexyl disulfide 2550-40-5|Dicyclohexyl disulfide|1,1'-disulfanediyldicyclohexane|Bis(cyclohexyl) disulfide|Bis(cyclohexyl)disulfide|Cyclohexyl disulfide|Disulfide, dicyclohexyl|EINECS 219-851-6|FEMA No. 3448|UNII-6G1A0K504Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047628
ARPathway2016 ARPathway2016_1056 Dicyclohexyl disulfide 2550-40-5 DTXSID4047628 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless C1CCC(CC1)SSC1CCCCC1 Dicyclohexyl disulfide 2550-40-5|Dicyclohexyl disulfide|1,1'-disulfanediyldicyclohexane|Bis(cyclohexyl) disulfide|Bis(cyclohexyl)disulfide|Cyclohexyl disulfide|Disulfide, dicyclohexyl|EINECS 219-851-6|FEMA No. 3448|UNII-6G1A0K504Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047628
ARPathway2016 ARPathway2016_1056 Dicyclohexyl disulfide 2550-40-5 DTXSID4047628 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless C1CCC(CC1)SSC1CCCCC1 Dicyclohexyl disulfide 2550-40-5|Dicyclohexyl disulfide|1,1'-disulfanediyldicyclohexane|Bis(cyclohexyl) disulfide|Bis(cyclohexyl)disulfide|Cyclohexyl disulfide|Disulfide, dicyclohexyl|EINECS 219-851-6|FEMA No. 3448|UNII-6G1A0K504Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047628
ERPathway2016 ERPathway2016_422 Dicyclohexyl disulfide 2550-40-5 DTXSID4047628 ER Pathway Model, Antagonist AC50 35.6945027541532 uM C1CCC(CC1)SSC1CCCCC1 Dicyclohexyl disulfide 2550-40-5|Dicyclohexyl disulfide|1,1'-disulfanediyldicyclohexane|Bis(cyclohexyl) disulfide|Bis(cyclohexyl)disulfide|Cyclohexyl disulfide|Disulfide, dicyclohexyl|EINECS 219-851-6|FEMA No. 3448|UNII-6G1A0K504Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047628
ERPathway2016 ERPathway2016_422 Dicyclohexyl disulfide 2550-40-5 DTXSID4047628 ER Pathway Model, Antagonist ACC 43.6900499631739 uM C1CCC(CC1)SSC1CCCCC1 Dicyclohexyl disulfide 2550-40-5|Dicyclohexyl disulfide|1,1'-disulfanediyldicyclohexane|Bis(cyclohexyl) disulfide|Bis(cyclohexyl)disulfide|Cyclohexyl disulfide|Disulfide, dicyclohexyl|EINECS 219-851-6|FEMA No. 3448|UNII-6G1A0K504Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047628
ERPathway2016 ERPathway2016_422 Dicyclohexyl disulfide 2550-40-5 DTXSID4047628 ER Pathway Model, Agonist Model Score 0.00737 Unitless C1CCC(CC1)SSC1CCCCC1 Dicyclohexyl disulfide 2550-40-5|Dicyclohexyl disulfide|1,1'-disulfanediyldicyclohexane|Bis(cyclohexyl) disulfide|Bis(cyclohexyl)disulfide|Cyclohexyl disulfide|Disulfide, dicyclohexyl|EINECS 219-851-6|FEMA No. 3448|UNII-6G1A0K504Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047628
ERPathway2016 ERPathway2016_422 Dicyclohexyl disulfide 2550-40-5 DTXSID4047628 ER Pathway Model, Antagonist Model Score 0 Unitless C1CCC(CC1)SSC1CCCCC1 Dicyclohexyl disulfide 2550-40-5|Dicyclohexyl disulfide|1,1'-disulfanediyldicyclohexane|Bis(cyclohexyl) disulfide|Bis(cyclohexyl)disulfide|Cyclohexyl disulfide|Disulfide, dicyclohexyl|EINECS 219-851-6|FEMA No. 3448|UNII-6G1A0K504Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047628
ERPathway2016 ERPathway2016_422 Dicyclohexyl disulfide 2550-40-5 DTXSID4047628 ER Pathway Model, Agonist Call Inactive Unitless C1CCC(CC1)SSC1CCCCC1 Dicyclohexyl disulfide 2550-40-5|Dicyclohexyl disulfide|1,1'-disulfanediyldicyclohexane|Bis(cyclohexyl) disulfide|Bis(cyclohexyl)disulfide|Cyclohexyl disulfide|Disulfide, dicyclohexyl|EINECS 219-851-6|FEMA No. 3448|UNII-6G1A0K504Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047628
ERPathway2016 ERPathway2016_422 Dicyclohexyl disulfide 2550-40-5 DTXSID4047628 ER Pathway Model, Antagonist Call Active Unitless C1CCC(CC1)SSC1CCCCC1 Dicyclohexyl disulfide 2550-40-5|Dicyclohexyl disulfide|1,1'-disulfanediyldicyclohexane|Bis(cyclohexyl) disulfide|Bis(cyclohexyl)disulfide|Cyclohexyl disulfide|Disulfide, dicyclohexyl|EINECS 219-851-6|FEMA No. 3448|UNII-6G1A0K504Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047628
ARPathway2016 ARPathway2016_299 Dicyclohexyl phthalate 84-61-7 DTXSID5025021 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 44.3190930897835 uM O=C(OC1CCCCC1)C1=C(C=CC=C1)C(=O)OC1CCCCC1 Dicyclohexyl phthalate 84-61-7|Dicyclohexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester|1,2-Benzenedicarboxylic acid, dicyclohexyl ester|AI3-00515|BRN 1889288|DCHP|Diclohexyl 1,2-benzenedicarboxylate|Edenol DCHP|EINECS 201-545-9|Ergoplast FDC|Ergoplast.fdc|HF 191|Howflex CP|Morflex 150|NSC 6101|Phthalic acid, dicyclohexyl ester|UNII-CGD15M7H2N|Unimoll 66|Uniplex 250|169741-16-6|55819-02-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025021 https://doi.org/10.22427/NTP-DATA-DTXSID5025021
ARPathway2016 ARPathway2016_299 Dicyclohexyl phthalate 84-61-7 DTXSID5025021 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 47.3539963607788 uM O=C(OC1CCCCC1)C1=C(C=CC=C1)C(=O)OC1CCCCC1 Dicyclohexyl phthalate 84-61-7|Dicyclohexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester|1,2-Benzenedicarboxylic acid, dicyclohexyl ester|AI3-00515|BRN 1889288|DCHP|Diclohexyl 1,2-benzenedicarboxylate|Edenol DCHP|EINECS 201-545-9|Ergoplast FDC|Ergoplast.fdc|HF 191|Howflex CP|Morflex 150|NSC 6101|Phthalic acid, dicyclohexyl ester|UNII-CGD15M7H2N|Unimoll 66|Uniplex 250|169741-16-6|55819-02-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025021 https://doi.org/10.22427/NTP-DATA-DTXSID5025021
ARPathway2016 ARPathway2016_299 Dicyclohexyl phthalate 84-61-7 DTXSID5025021 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0743 Unitless O=C(OC1CCCCC1)C1=C(C=CC=C1)C(=O)OC1CCCCC1 Dicyclohexyl phthalate 84-61-7|Dicyclohexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester|1,2-Benzenedicarboxylic acid, dicyclohexyl ester|AI3-00515|BRN 1889288|DCHP|Diclohexyl 1,2-benzenedicarboxylate|Edenol DCHP|EINECS 201-545-9|Ergoplast FDC|Ergoplast.fdc|HF 191|Howflex CP|Morflex 150|NSC 6101|Phthalic acid, dicyclohexyl ester|UNII-CGD15M7H2N|Unimoll 66|Uniplex 250|169741-16-6|55819-02-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025021 https://doi.org/10.22427/NTP-DATA-DTXSID5025021
ARPathway2016 ARPathway2016_299 Dicyclohexyl phthalate 84-61-7 DTXSID5025021 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless O=C(OC1CCCCC1)C1=C(C=CC=C1)C(=O)OC1CCCCC1 Dicyclohexyl phthalate 84-61-7|Dicyclohexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester|1,2-Benzenedicarboxylic acid, dicyclohexyl ester|AI3-00515|BRN 1889288|DCHP|Diclohexyl 1,2-benzenedicarboxylate|Edenol DCHP|EINECS 201-545-9|Ergoplast FDC|Ergoplast.fdc|HF 191|Howflex CP|Morflex 150|NSC 6101|Phthalic acid, dicyclohexyl ester|UNII-CGD15M7H2N|Unimoll 66|Uniplex 250|169741-16-6|55819-02-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025021 https://doi.org/10.22427/NTP-DATA-DTXSID5025021
ARPathway2016 ARPathway2016_299 Dicyclohexyl phthalate 84-61-7 DTXSID5025021 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless O=C(OC1CCCCC1)C1=C(C=CC=C1)C(=O)OC1CCCCC1 Dicyclohexyl phthalate 84-61-7|Dicyclohexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester|1,2-Benzenedicarboxylic acid, dicyclohexyl ester|AI3-00515|BRN 1889288|DCHP|Diclohexyl 1,2-benzenedicarboxylate|Edenol DCHP|EINECS 201-545-9|Ergoplast FDC|Ergoplast.fdc|HF 191|Howflex CP|Morflex 150|NSC 6101|Phthalic acid, dicyclohexyl ester|UNII-CGD15M7H2N|Unimoll 66|Uniplex 250|169741-16-6|55819-02-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025021 https://doi.org/10.22427/NTP-DATA-DTXSID5025021
ARPathway2016 ARPathway2016_299 Dicyclohexyl phthalate 84-61-7 DTXSID5025021 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless O=C(OC1CCCCC1)C1=C(C=CC=C1)C(=O)OC1CCCCC1 Dicyclohexyl phthalate 84-61-7|Dicyclohexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester|1,2-Benzenedicarboxylic acid, dicyclohexyl ester|AI3-00515|BRN 1889288|DCHP|Diclohexyl 1,2-benzenedicarboxylate|Edenol DCHP|EINECS 201-545-9|Ergoplast FDC|Ergoplast.fdc|HF 191|Howflex CP|Morflex 150|NSC 6101|Phthalic acid, dicyclohexyl ester|UNII-CGD15M7H2N|Unimoll 66|Uniplex 250|169741-16-6|55819-02-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025021 https://doi.org/10.22427/NTP-DATA-DTXSID5025021
ERPathway2016 ERPathway2016_11 Dicyclohexyl phthalate 84-61-7 DTXSID5025021 ER Pathway Model, Agonist AC50 16.7944425395916 uM O=C(OC1CCCCC1)C1=C(C=CC=C1)C(=O)OC1CCCCC1 Dicyclohexyl phthalate 84-61-7|Dicyclohexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester|1,2-Benzenedicarboxylic acid, dicyclohexyl ester|AI3-00515|BRN 1889288|DCHP|Diclohexyl 1,2-benzenedicarboxylate|Edenol DCHP|EINECS 201-545-9|Ergoplast FDC|Ergoplast.fdc|HF 191|Howflex CP|Morflex 150|NSC 6101|Phthalic acid, dicyclohexyl ester|UNII-CGD15M7H2N|Unimoll 66|Uniplex 250|169741-16-6|55819-02-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025021 https://doi.org/10.22427/NTP-DATA-DTXSID5025021
ERPathway2016 ERPathway2016_11 Dicyclohexyl phthalate 84-61-7 DTXSID5025021 ER Pathway Model, Agonist ACC 15.9385504709445 uM O=C(OC1CCCCC1)C1=C(C=CC=C1)C(=O)OC1CCCCC1 Dicyclohexyl phthalate 84-61-7|Dicyclohexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester|1,2-Benzenedicarboxylic acid, dicyclohexyl ester|AI3-00515|BRN 1889288|DCHP|Diclohexyl 1,2-benzenedicarboxylate|Edenol DCHP|EINECS 201-545-9|Ergoplast FDC|Ergoplast.fdc|HF 191|Howflex CP|Morflex 150|NSC 6101|Phthalic acid, dicyclohexyl ester|UNII-CGD15M7H2N|Unimoll 66|Uniplex 250|169741-16-6|55819-02-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025021 https://doi.org/10.22427/NTP-DATA-DTXSID5025021
ERPathway2016 ERPathway2016_11 Dicyclohexyl phthalate 84-61-7 DTXSID5025021 ER Pathway Model, Agonist Model Score 0.0199 Unitless O=C(OC1CCCCC1)C1=C(C=CC=C1)C(=O)OC1CCCCC1 Dicyclohexyl phthalate 84-61-7|Dicyclohexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester|1,2-Benzenedicarboxylic acid, dicyclohexyl ester|AI3-00515|BRN 1889288|DCHP|Diclohexyl 1,2-benzenedicarboxylate|Edenol DCHP|EINECS 201-545-9|Ergoplast FDC|Ergoplast.fdc|HF 191|Howflex CP|Morflex 150|NSC 6101|Phthalic acid, dicyclohexyl ester|UNII-CGD15M7H2N|Unimoll 66|Uniplex 250|169741-16-6|55819-02-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025021 https://doi.org/10.22427/NTP-DATA-DTXSID5025021
ERPathway2016 ERPathway2016_11 Dicyclohexyl phthalate 84-61-7 DTXSID5025021 ER Pathway Model, Antagonist Model Score 0.0213 Unitless O=C(OC1CCCCC1)C1=C(C=CC=C1)C(=O)OC1CCCCC1 Dicyclohexyl phthalate 84-61-7|Dicyclohexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester|1,2-Benzenedicarboxylic acid, dicyclohexyl ester|AI3-00515|BRN 1889288|DCHP|Diclohexyl 1,2-benzenedicarboxylate|Edenol DCHP|EINECS 201-545-9|Ergoplast FDC|Ergoplast.fdc|HF 191|Howflex CP|Morflex 150|NSC 6101|Phthalic acid, dicyclohexyl ester|UNII-CGD15M7H2N|Unimoll 66|Uniplex 250|169741-16-6|55819-02-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025021 https://doi.org/10.22427/NTP-DATA-DTXSID5025021
ERPathway2016 ERPathway2016_11 Dicyclohexyl phthalate 84-61-7 DTXSID5025021 ER Pathway Model, Agonist Call Active Unitless O=C(OC1CCCCC1)C1=C(C=CC=C1)C(=O)OC1CCCCC1 Dicyclohexyl phthalate 84-61-7|Dicyclohexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester|1,2-Benzenedicarboxylic acid, dicyclohexyl ester|AI3-00515|BRN 1889288|DCHP|Diclohexyl 1,2-benzenedicarboxylate|Edenol DCHP|EINECS 201-545-9|Ergoplast FDC|Ergoplast.fdc|HF 191|Howflex CP|Morflex 150|NSC 6101|Phthalic acid, dicyclohexyl ester|UNII-CGD15M7H2N|Unimoll 66|Uniplex 250|169741-16-6|55819-02-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025021 https://doi.org/10.22427/NTP-DATA-DTXSID5025021
ERPathway2016 ERPathway2016_11 Dicyclohexyl phthalate 84-61-7 DTXSID5025021 ER Pathway Model, Antagonist Call Inactive Unitless O=C(OC1CCCCC1)C1=C(C=CC=C1)C(=O)OC1CCCCC1 Dicyclohexyl phthalate 84-61-7|Dicyclohexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester|1,2-Benzenedicarboxylic acid, dicyclohexyl ester|AI3-00515|BRN 1889288|DCHP|Diclohexyl 1,2-benzenedicarboxylate|Edenol DCHP|EINECS 201-545-9|Ergoplast FDC|Ergoplast.fdc|HF 191|Howflex CP|Morflex 150|NSC 6101|Phthalic acid, dicyclohexyl ester|UNII-CGD15M7H2N|Unimoll 66|Uniplex 250|169741-16-6|55819-02-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025021 https://doi.org/10.22427/NTP-DATA-DTXSID5025021
ARPathway2016 ARPathway2016_1020 Dicyclohexyl sodium sulfosuccinate 23386-52-9 DTXSID8027826 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]S(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1 Dicyclohexyl sodium sulfosuccinate 23386-52-9|Dicyclohexyl sodium sulfosuccinate|1,4-Dicyclohexyl sulfobutanedioate sodium salt|Aerosol A 196|Bis-cyclohexyl sodium sulfosuccinate (80%)|Butanedioic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt|EINECS 245-629-3|Pelex CS|Sodium 1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate|Sodium dicyclohexyl sulfosuccinate|Succinic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt|Succinic acid, sulfo-, dicyclohexyl ester, sodium salt|Sulfosuccinic acid, dicyclohexyl ester, sodium salt|UNII-691X23M3MT|1233331-39-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027826
ARPathway2016 ARPathway2016_1020 Dicyclohexyl sodium sulfosuccinate 23386-52-9 DTXSID8027826 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]S(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1 Dicyclohexyl sodium sulfosuccinate 23386-52-9|Dicyclohexyl sodium sulfosuccinate|1,4-Dicyclohexyl sulfobutanedioate sodium salt|Aerosol A 196|Bis-cyclohexyl sodium sulfosuccinate (80%)|Butanedioic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt|EINECS 245-629-3|Pelex CS|Sodium 1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate|Sodium dicyclohexyl sulfosuccinate|Succinic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt|Succinic acid, sulfo-, dicyclohexyl ester, sodium salt|Sulfosuccinic acid, dicyclohexyl ester, sodium salt|UNII-691X23M3MT|1233331-39-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027826
ARPathway2016 ARPathway2016_1020 Dicyclohexyl sodium sulfosuccinate 23386-52-9 DTXSID8027826 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]S(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1 Dicyclohexyl sodium sulfosuccinate 23386-52-9|Dicyclohexyl sodium sulfosuccinate|1,4-Dicyclohexyl sulfobutanedioate sodium salt|Aerosol A 196|Bis-cyclohexyl sodium sulfosuccinate (80%)|Butanedioic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt|EINECS 245-629-3|Pelex CS|Sodium 1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate|Sodium dicyclohexyl sulfosuccinate|Succinic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt|Succinic acid, sulfo-, dicyclohexyl ester, sodium salt|Sulfosuccinic acid, dicyclohexyl ester, sodium salt|UNII-691X23M3MT|1233331-39-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027826
ARPathway2016 ARPathway2016_1020 Dicyclohexyl sodium sulfosuccinate 23386-52-9 DTXSID8027826 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]S(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1 Dicyclohexyl sodium sulfosuccinate 23386-52-9|Dicyclohexyl sodium sulfosuccinate|1,4-Dicyclohexyl sulfobutanedioate sodium salt|Aerosol A 196|Bis-cyclohexyl sodium sulfosuccinate (80%)|Butanedioic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt|EINECS 245-629-3|Pelex CS|Sodium 1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate|Sodium dicyclohexyl sulfosuccinate|Succinic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt|Succinic acid, sulfo-, dicyclohexyl ester, sodium salt|Sulfosuccinic acid, dicyclohexyl ester, sodium salt|UNII-691X23M3MT|1233331-39-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027826
ERPathway2016 ERPathway2016_729 Dicyclohexyl sodium sulfosuccinate 23386-52-9 DTXSID8027826 A13 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]S(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1 Dicyclohexyl sodium sulfosuccinate 23386-52-9|Dicyclohexyl sodium sulfosuccinate|1,4-Dicyclohexyl sulfobutanedioate sodium salt|Aerosol A 196|Bis-cyclohexyl sodium sulfosuccinate (80%)|Butanedioic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt|EINECS 245-629-3|Pelex CS|Sodium 1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate|Sodium dicyclohexyl sulfosuccinate|Succinic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt|Succinic acid, sulfo-, dicyclohexyl ester, sodium salt|Sulfosuccinic acid, dicyclohexyl ester, sodium salt|UNII-691X23M3MT|1233331-39-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027826
ERPathway2016 ERPathway2016_729 Dicyclohexyl sodium sulfosuccinate 23386-52-9 DTXSID8027826 A13 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]S(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1 Dicyclohexyl sodium sulfosuccinate 23386-52-9|Dicyclohexyl sodium sulfosuccinate|1,4-Dicyclohexyl sulfobutanedioate sodium salt|Aerosol A 196|Bis-cyclohexyl sodium sulfosuccinate (80%)|Butanedioic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt|EINECS 245-629-3|Pelex CS|Sodium 1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate|Sodium dicyclohexyl sulfosuccinate|Succinic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt|Succinic acid, sulfo-, dicyclohexyl ester, sodium salt|Sulfosuccinic acid, dicyclohexyl ester, sodium salt|UNII-691X23M3MT|1233331-39-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027826
ERPathway2016 ERPathway2016_729 Dicyclohexyl sodium sulfosuccinate 23386-52-9 DTXSID8027826 A13 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]S(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1 Dicyclohexyl sodium sulfosuccinate 23386-52-9|Dicyclohexyl sodium sulfosuccinate|1,4-Dicyclohexyl sulfobutanedioate sodium salt|Aerosol A 196|Bis-cyclohexyl sodium sulfosuccinate (80%)|Butanedioic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt|EINECS 245-629-3|Pelex CS|Sodium 1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate|Sodium dicyclohexyl sulfosuccinate|Succinic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt|Succinic acid, sulfo-, dicyclohexyl ester, sodium salt|Sulfosuccinic acid, dicyclohexyl ester, sodium salt|UNII-691X23M3MT|1233331-39-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027826
ERPathway2016 ERPathway2016_729 Dicyclohexyl sodium sulfosuccinate 23386-52-9 DTXSID8027826 A13 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]S(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1 Dicyclohexyl sodium sulfosuccinate 23386-52-9|Dicyclohexyl sodium sulfosuccinate|1,4-Dicyclohexyl sulfobutanedioate sodium salt|Aerosol A 196|Bis-cyclohexyl sodium sulfosuccinate (80%)|Butanedioic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt|EINECS 245-629-3|Pelex CS|Sodium 1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate|Sodium dicyclohexyl sulfosuccinate|Succinic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt|Succinic acid, sulfo-, dicyclohexyl ester, sodium salt|Sulfosuccinic acid, dicyclohexyl ester, sodium salt|UNII-691X23M3MT|1233331-39-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027826
ARPathway2016 ARPathway2016_419 Dicyclohexylamine 101-83-7 DTXSID6025018 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1CCC(CC1)NC1CCCCC1 Dicyclohexylamine 101-83-7|Dicyclohexylamine|4-12-00-00022|Aminodicyclohexane|Bis(cyclohexyl)amine|BRN 0605923|Cyclohexanamine, N-cyclohexyl-|diciclohexilamina|Dicyclohexamine|Dicyclohexylamin|Dicyklohexylamin|Dodecahydrodiphenylamine|EINECS 202-980-7|N-Cyclohexyl-cyclohexylamine|N-Cyclohexylcyclohexanamine|N,N-Diclohexylamine|N,N-Dicyclohexylamine|NSC 3399|UN 2565|UNII-1A93RJW924|111487-88-8|111487-93-5|111522-94-2|157973-63-2|856793-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025018 https://doi.org/10.22427/NTP-DATA-DTXSID6025018
ARPathway2016 ARPathway2016_419 Dicyclohexylamine 101-83-7 DTXSID6025018 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1CCC(CC1)NC1CCCCC1 Dicyclohexylamine 101-83-7|Dicyclohexylamine|4-12-00-00022|Aminodicyclohexane|Bis(cyclohexyl)amine|BRN 0605923|Cyclohexanamine, N-cyclohexyl-|diciclohexilamina|Dicyclohexamine|Dicyclohexylamin|Dicyklohexylamin|Dodecahydrodiphenylamine|EINECS 202-980-7|N-Cyclohexyl-cyclohexylamine|N-Cyclohexylcyclohexanamine|N,N-Diclohexylamine|N,N-Dicyclohexylamine|NSC 3399|UN 2565|UNII-1A93RJW924|111487-88-8|111487-93-5|111522-94-2|157973-63-2|856793-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025018 https://doi.org/10.22427/NTP-DATA-DTXSID6025018
ARPathway2016 ARPathway2016_419 Dicyclohexylamine 101-83-7 DTXSID6025018 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1CCC(CC1)NC1CCCCC1 Dicyclohexylamine 101-83-7|Dicyclohexylamine|4-12-00-00022|Aminodicyclohexane|Bis(cyclohexyl)amine|BRN 0605923|Cyclohexanamine, N-cyclohexyl-|diciclohexilamina|Dicyclohexamine|Dicyclohexylamin|Dicyklohexylamin|Dodecahydrodiphenylamine|EINECS 202-980-7|N-Cyclohexyl-cyclohexylamine|N-Cyclohexylcyclohexanamine|N,N-Diclohexylamine|N,N-Dicyclohexylamine|NSC 3399|UN 2565|UNII-1A93RJW924|111487-88-8|111487-93-5|111522-94-2|157973-63-2|856793-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025018 https://doi.org/10.22427/NTP-DATA-DTXSID6025018
ARPathway2016 ARPathway2016_419 Dicyclohexylamine 101-83-7 DTXSID6025018 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1CCC(CC1)NC1CCCCC1 Dicyclohexylamine 101-83-7|Dicyclohexylamine|4-12-00-00022|Aminodicyclohexane|Bis(cyclohexyl)amine|BRN 0605923|Cyclohexanamine, N-cyclohexyl-|diciclohexilamina|Dicyclohexamine|Dicyclohexylamin|Dicyklohexylamin|Dodecahydrodiphenylamine|EINECS 202-980-7|N-Cyclohexyl-cyclohexylamine|N-Cyclohexylcyclohexanamine|N,N-Diclohexylamine|N,N-Dicyclohexylamine|NSC 3399|UN 2565|UNII-1A93RJW924|111487-88-8|111487-93-5|111522-94-2|157973-63-2|856793-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025018 https://doi.org/10.22427/NTP-DATA-DTXSID6025018
ERPathway2016 ERPathway2016_861 Dicyclohexylamine 101-83-7 DTXSID6025018 ER Pathway Model, Agonist Model Score 0 Unitless C1CCC(CC1)NC1CCCCC1 Dicyclohexylamine 101-83-7|Dicyclohexylamine|4-12-00-00022|Aminodicyclohexane|Bis(cyclohexyl)amine|BRN 0605923|Cyclohexanamine, N-cyclohexyl-|diciclohexilamina|Dicyclohexamine|Dicyclohexylamin|Dicyklohexylamin|Dodecahydrodiphenylamine|EINECS 202-980-7|N-Cyclohexyl-cyclohexylamine|N-Cyclohexylcyclohexanamine|N,N-Diclohexylamine|N,N-Dicyclohexylamine|NSC 3399|UN 2565|UNII-1A93RJW924|111487-88-8|111487-93-5|111522-94-2|157973-63-2|856793-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025018 https://doi.org/10.22427/NTP-DATA-DTXSID6025018
ERPathway2016 ERPathway2016_861 Dicyclohexylamine 101-83-7 DTXSID6025018 ER Pathway Model, Antagonist Model Score 0 Unitless C1CCC(CC1)NC1CCCCC1 Dicyclohexylamine 101-83-7|Dicyclohexylamine|4-12-00-00022|Aminodicyclohexane|Bis(cyclohexyl)amine|BRN 0605923|Cyclohexanamine, N-cyclohexyl-|diciclohexilamina|Dicyclohexamine|Dicyclohexylamin|Dicyklohexylamin|Dodecahydrodiphenylamine|EINECS 202-980-7|N-Cyclohexyl-cyclohexylamine|N-Cyclohexylcyclohexanamine|N,N-Diclohexylamine|N,N-Dicyclohexylamine|NSC 3399|UN 2565|UNII-1A93RJW924|111487-88-8|111487-93-5|111522-94-2|157973-63-2|856793-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025018 https://doi.org/10.22427/NTP-DATA-DTXSID6025018
ERPathway2016 ERPathway2016_861 Dicyclohexylamine 101-83-7 DTXSID6025018 ER Pathway Model, Agonist Call Inactive Unitless C1CCC(CC1)NC1CCCCC1 Dicyclohexylamine 101-83-7|Dicyclohexylamine|4-12-00-00022|Aminodicyclohexane|Bis(cyclohexyl)amine|BRN 0605923|Cyclohexanamine, N-cyclohexyl-|diciclohexilamina|Dicyclohexamine|Dicyclohexylamin|Dicyklohexylamin|Dodecahydrodiphenylamine|EINECS 202-980-7|N-Cyclohexyl-cyclohexylamine|N-Cyclohexylcyclohexanamine|N,N-Diclohexylamine|N,N-Dicyclohexylamine|NSC 3399|UN 2565|UNII-1A93RJW924|111487-88-8|111487-93-5|111522-94-2|157973-63-2|856793-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025018 https://doi.org/10.22427/NTP-DATA-DTXSID6025018
ERPathway2016 ERPathway2016_861 Dicyclohexylamine 101-83-7 DTXSID6025018 ER Pathway Model, Antagonist Call Inactive Unitless C1CCC(CC1)NC1CCCCC1 Dicyclohexylamine 101-83-7|Dicyclohexylamine|4-12-00-00022|Aminodicyclohexane|Bis(cyclohexyl)amine|BRN 0605923|Cyclohexanamine, N-cyclohexyl-|diciclohexilamina|Dicyclohexamine|Dicyclohexylamin|Dicyklohexylamin|Dodecahydrodiphenylamine|EINECS 202-980-7|N-Cyclohexyl-cyclohexylamine|N-Cyclohexylcyclohexanamine|N,N-Diclohexylamine|N,N-Dicyclohexylamine|NSC 3399|UN 2565|UNII-1A93RJW924|111487-88-8|111487-93-5|111522-94-2|157973-63-2|856793-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025018 https://doi.org/10.22427/NTP-DATA-DTXSID6025018
ARPathway2016 ARPathway2016_1556 Dicyclopentadiene 77-73-6 DTXSID5025023 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1C=CC2C3CC(C=C3)C12 Dicyclopentadiene 77-73-6|Dicyclopentadiene|1,3-Cyclopentadiene, dimer|2-05-00-00391|3a,4,7,7a-tetrahidro-4,7-metanoindeno|3a,4,7,7a-Tetrahydro-4,7-methano-1H-indene|3a,4,7,7a-Tetrahydro-4,7-methanoinden|3a,4,7,7a-tetrahydro-4,7-methanoindene|4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-|4,7-Methanoindene, 3a,4,7,7a-tetrahydro-|Bicyclopentadiene|Biscyclopentadiene|BRN 1904092|Cyclopentadiene dimer|DICYCLOPENTADIEN|Dicyklopentadien|Dimer cyklopentadienu|EINECS 201-052-9|NSC 7352|Prometa XP 100|Tricyclo(5.2.1.0)-3,8-decadiene|Tricyclo[4.3.1.02,5]deca-3,7-diene|Tricyclo[5.2.1.02,6]deca-3,8-diene|UN 2048|107760-16-7|275363-11-6|45737-84-6|54335-17-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025023 https://doi.org/10.22427/NTP-DATA-DTXSID5025023
ARPathway2016 ARPathway2016_1556 Dicyclopentadiene 77-73-6 DTXSID5025023 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1C=CC2C3CC(C=C3)C12 Dicyclopentadiene 77-73-6|Dicyclopentadiene|1,3-Cyclopentadiene, dimer|2-05-00-00391|3a,4,7,7a-tetrahidro-4,7-metanoindeno|3a,4,7,7a-Tetrahydro-4,7-methano-1H-indene|3a,4,7,7a-Tetrahydro-4,7-methanoinden|3a,4,7,7a-tetrahydro-4,7-methanoindene|4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-|4,7-Methanoindene, 3a,4,7,7a-tetrahydro-|Bicyclopentadiene|Biscyclopentadiene|BRN 1904092|Cyclopentadiene dimer|DICYCLOPENTADIEN|Dicyklopentadien|Dimer cyklopentadienu|EINECS 201-052-9|NSC 7352|Prometa XP 100|Tricyclo(5.2.1.0)-3,8-decadiene|Tricyclo[4.3.1.02,5]deca-3,7-diene|Tricyclo[5.2.1.02,6]deca-3,8-diene|UN 2048|107760-16-7|275363-11-6|45737-84-6|54335-17-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025023 https://doi.org/10.22427/NTP-DATA-DTXSID5025023
ARPathway2016 ARPathway2016_1556 Dicyclopentadiene 77-73-6 DTXSID5025023 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1C=CC2C3CC(C=C3)C12 Dicyclopentadiene 77-73-6|Dicyclopentadiene|1,3-Cyclopentadiene, dimer|2-05-00-00391|3a,4,7,7a-tetrahidro-4,7-metanoindeno|3a,4,7,7a-Tetrahydro-4,7-methano-1H-indene|3a,4,7,7a-Tetrahydro-4,7-methanoinden|3a,4,7,7a-tetrahydro-4,7-methanoindene|4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-|4,7-Methanoindene, 3a,4,7,7a-tetrahydro-|Bicyclopentadiene|Biscyclopentadiene|BRN 1904092|Cyclopentadiene dimer|DICYCLOPENTADIEN|Dicyklopentadien|Dimer cyklopentadienu|EINECS 201-052-9|NSC 7352|Prometa XP 100|Tricyclo(5.2.1.0)-3,8-decadiene|Tricyclo[4.3.1.02,5]deca-3,7-diene|Tricyclo[5.2.1.02,6]deca-3,8-diene|UN 2048|107760-16-7|275363-11-6|45737-84-6|54335-17-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025023 https://doi.org/10.22427/NTP-DATA-DTXSID5025023
ARPathway2016 ARPathway2016_1556 Dicyclopentadiene 77-73-6 DTXSID5025023 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1C=CC2C3CC(C=C3)C12 Dicyclopentadiene 77-73-6|Dicyclopentadiene|1,3-Cyclopentadiene, dimer|2-05-00-00391|3a,4,7,7a-tetrahidro-4,7-metanoindeno|3a,4,7,7a-Tetrahydro-4,7-methano-1H-indene|3a,4,7,7a-Tetrahydro-4,7-methanoinden|3a,4,7,7a-tetrahydro-4,7-methanoindene|4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-|4,7-Methanoindene, 3a,4,7,7a-tetrahydro-|Bicyclopentadiene|Biscyclopentadiene|BRN 1904092|Cyclopentadiene dimer|DICYCLOPENTADIEN|Dicyklopentadien|Dimer cyklopentadienu|EINECS 201-052-9|NSC 7352|Prometa XP 100|Tricyclo(5.2.1.0)-3,8-decadiene|Tricyclo[4.3.1.02,5]deca-3,7-diene|Tricyclo[5.2.1.02,6]deca-3,8-diene|UN 2048|107760-16-7|275363-11-6|45737-84-6|54335-17-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025023 https://doi.org/10.22427/NTP-DATA-DTXSID5025023
ERPathway2016 ERPathway2016_1654 Dicyclopentadiene 77-73-6 DTXSID5025023 ER Pathway Model, Agonist Model Score 0 Unitless C1C=CC2C3CC(C=C3)C12 Dicyclopentadiene 77-73-6|Dicyclopentadiene|1,3-Cyclopentadiene, dimer|2-05-00-00391|3a,4,7,7a-tetrahidro-4,7-metanoindeno|3a,4,7,7a-Tetrahydro-4,7-methano-1H-indene|3a,4,7,7a-Tetrahydro-4,7-methanoinden|3a,4,7,7a-tetrahydro-4,7-methanoindene|4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-|4,7-Methanoindene, 3a,4,7,7a-tetrahydro-|Bicyclopentadiene|Biscyclopentadiene|BRN 1904092|Cyclopentadiene dimer|DICYCLOPENTADIEN|Dicyklopentadien|Dimer cyklopentadienu|EINECS 201-052-9|NSC 7352|Prometa XP 100|Tricyclo(5.2.1.0)-3,8-decadiene|Tricyclo[4.3.1.02,5]deca-3,7-diene|Tricyclo[5.2.1.02,6]deca-3,8-diene|UN 2048|107760-16-7|275363-11-6|45737-84-6|54335-17-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025023 https://doi.org/10.22427/NTP-DATA-DTXSID5025023
ERPathway2016 ERPathway2016_1654 Dicyclopentadiene 77-73-6 DTXSID5025023 ER Pathway Model, Antagonist Model Score 0 Unitless C1C=CC2C3CC(C=C3)C12 Dicyclopentadiene 77-73-6|Dicyclopentadiene|1,3-Cyclopentadiene, dimer|2-05-00-00391|3a,4,7,7a-tetrahidro-4,7-metanoindeno|3a,4,7,7a-Tetrahydro-4,7-methano-1H-indene|3a,4,7,7a-Tetrahydro-4,7-methanoinden|3a,4,7,7a-tetrahydro-4,7-methanoindene|4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-|4,7-Methanoindene, 3a,4,7,7a-tetrahydro-|Bicyclopentadiene|Biscyclopentadiene|BRN 1904092|Cyclopentadiene dimer|DICYCLOPENTADIEN|Dicyklopentadien|Dimer cyklopentadienu|EINECS 201-052-9|NSC 7352|Prometa XP 100|Tricyclo(5.2.1.0)-3,8-decadiene|Tricyclo[4.3.1.02,5]deca-3,7-diene|Tricyclo[5.2.1.02,6]deca-3,8-diene|UN 2048|107760-16-7|275363-11-6|45737-84-6|54335-17-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025023 https://doi.org/10.22427/NTP-DATA-DTXSID5025023
ERPathway2016 ERPathway2016_1654 Dicyclopentadiene 77-73-6 DTXSID5025023 ER Pathway Model, Agonist Call Inactive Unitless C1C=CC2C3CC(C=C3)C12 Dicyclopentadiene 77-73-6|Dicyclopentadiene|1,3-Cyclopentadiene, dimer|2-05-00-00391|3a,4,7,7a-tetrahidro-4,7-metanoindeno|3a,4,7,7a-Tetrahydro-4,7-methano-1H-indene|3a,4,7,7a-Tetrahydro-4,7-methanoinden|3a,4,7,7a-tetrahydro-4,7-methanoindene|4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-|4,7-Methanoindene, 3a,4,7,7a-tetrahydro-|Bicyclopentadiene|Biscyclopentadiene|BRN 1904092|Cyclopentadiene dimer|DICYCLOPENTADIEN|Dicyklopentadien|Dimer cyklopentadienu|EINECS 201-052-9|NSC 7352|Prometa XP 100|Tricyclo(5.2.1.0)-3,8-decadiene|Tricyclo[4.3.1.02,5]deca-3,7-diene|Tricyclo[5.2.1.02,6]deca-3,8-diene|UN 2048|107760-16-7|275363-11-6|45737-84-6|54335-17-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025023 https://doi.org/10.22427/NTP-DATA-DTXSID5025023
ERPathway2016 ERPathway2016_1654 Dicyclopentadiene 77-73-6 DTXSID5025023 ER Pathway Model, Antagonist Call Inactive Unitless C1C=CC2C3CC(C=C3)C12 Dicyclopentadiene 77-73-6|Dicyclopentadiene|1,3-Cyclopentadiene, dimer|2-05-00-00391|3a,4,7,7a-tetrahidro-4,7-metanoindeno|3a,4,7,7a-Tetrahydro-4,7-methano-1H-indene|3a,4,7,7a-Tetrahydro-4,7-methanoinden|3a,4,7,7a-tetrahydro-4,7-methanoindene|4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-|4,7-Methanoindene, 3a,4,7,7a-tetrahydro-|Bicyclopentadiene|Biscyclopentadiene|BRN 1904092|Cyclopentadiene dimer|DICYCLOPENTADIEN|Dicyklopentadien|Dimer cyklopentadienu|EINECS 201-052-9|NSC 7352|Prometa XP 100|Tricyclo(5.2.1.0)-3,8-decadiene|Tricyclo[4.3.1.02,5]deca-3,7-diene|Tricyclo[5.2.1.02,6]deca-3,8-diene|UN 2048|107760-16-7|275363-11-6|45737-84-6|54335-17-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025023 https://doi.org/10.22427/NTP-DATA-DTXSID5025023
ARPathway2016 ARPathway2016_1497 Didanosine 69655-05-6 DTXSID6022927 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC[C@@H]1CC[C@@H](O1)N1C=NC2=C1N=CNC2=O Didanosine 69655-05-6|Didanosine|2,3-dideoxyinosine|2',3'-Dideoxyinosine|2',3'-Didesoxyinosine|9-((2R,5S)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-1H-purin-6(9H)-one|9-((2R,5S)-5-Hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purin-6-one|9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one|BRN 3619529|ddI|ddIno|Didanosina|Didanosinum|Dideoxyinosine|Inosine, 2',3'-dideoxy-|NSC 612049|UNII-K3GDH6OH08|Videx EC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022927 https://doi.org/10.22427/NTP-DATA-DTXSID6022927
ARPathway2016 ARPathway2016_1497 Didanosine 69655-05-6 DTXSID6022927 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC[C@@H]1CC[C@@H](O1)N1C=NC2=C1N=CNC2=O Didanosine 69655-05-6|Didanosine|2,3-dideoxyinosine|2',3'-Dideoxyinosine|2',3'-Didesoxyinosine|9-((2R,5S)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-1H-purin-6(9H)-one|9-((2R,5S)-5-Hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purin-6-one|9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one|BRN 3619529|ddI|ddIno|Didanosina|Didanosinum|Dideoxyinosine|Inosine, 2',3'-dideoxy-|NSC 612049|UNII-K3GDH6OH08|Videx EC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022927 https://doi.org/10.22427/NTP-DATA-DTXSID6022927
ARPathway2016 ARPathway2016_1497 Didanosine 69655-05-6 DTXSID6022927 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC[C@@H]1CC[C@@H](O1)N1C=NC2=C1N=CNC2=O Didanosine 69655-05-6|Didanosine|2,3-dideoxyinosine|2',3'-Dideoxyinosine|2',3'-Didesoxyinosine|9-((2R,5S)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-1H-purin-6(9H)-one|9-((2R,5S)-5-Hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purin-6-one|9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one|BRN 3619529|ddI|ddIno|Didanosina|Didanosinum|Dideoxyinosine|Inosine, 2',3'-dideoxy-|NSC 612049|UNII-K3GDH6OH08|Videx EC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022927 https://doi.org/10.22427/NTP-DATA-DTXSID6022927
ARPathway2016 ARPathway2016_1497 Didanosine 69655-05-6 DTXSID6022927 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC[C@@H]1CC[C@@H](O1)N1C=NC2=C1N=CNC2=O Didanosine 69655-05-6|Didanosine|2,3-dideoxyinosine|2',3'-Dideoxyinosine|2',3'-Didesoxyinosine|9-((2R,5S)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-1H-purin-6(9H)-one|9-((2R,5S)-5-Hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purin-6-one|9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one|BRN 3619529|ddI|ddIno|Didanosina|Didanosinum|Dideoxyinosine|Inosine, 2',3'-dideoxy-|NSC 612049|UNII-K3GDH6OH08|Videx EC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022927 https://doi.org/10.22427/NTP-DATA-DTXSID6022927
ERPathway2016 ERPathway2016_1029 Didanosine 69655-05-6 DTXSID6022927 ER Pathway Model, Agonist Model Score 0 Unitless OC[C@@H]1CC[C@@H](O1)N1C=NC2=C1N=CNC2=O Didanosine 69655-05-6|Didanosine|2,3-dideoxyinosine|2',3'-Dideoxyinosine|2',3'-Didesoxyinosine|9-((2R,5S)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-1H-purin-6(9H)-one|9-((2R,5S)-5-Hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purin-6-one|9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one|BRN 3619529|ddI|ddIno|Didanosina|Didanosinum|Dideoxyinosine|Inosine, 2',3'-dideoxy-|NSC 612049|UNII-K3GDH6OH08|Videx EC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022927 https://doi.org/10.22427/NTP-DATA-DTXSID6022927
ERPathway2016 ERPathway2016_1029 Didanosine 69655-05-6 DTXSID6022927 ER Pathway Model, Antagonist Model Score 0 Unitless OC[C@@H]1CC[C@@H](O1)N1C=NC2=C1N=CNC2=O Didanosine 69655-05-6|Didanosine|2,3-dideoxyinosine|2',3'-Dideoxyinosine|2',3'-Didesoxyinosine|9-((2R,5S)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-1H-purin-6(9H)-one|9-((2R,5S)-5-Hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purin-6-one|9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one|BRN 3619529|ddI|ddIno|Didanosina|Didanosinum|Dideoxyinosine|Inosine, 2',3'-dideoxy-|NSC 612049|UNII-K3GDH6OH08|Videx EC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022927 https://doi.org/10.22427/NTP-DATA-DTXSID6022927
ERPathway2016 ERPathway2016_1029 Didanosine 69655-05-6 DTXSID6022927 ER Pathway Model, Agonist Call Inactive Unitless OC[C@@H]1CC[C@@H](O1)N1C=NC2=C1N=CNC2=O Didanosine 69655-05-6|Didanosine|2,3-dideoxyinosine|2',3'-Dideoxyinosine|2',3'-Didesoxyinosine|9-((2R,5S)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-1H-purin-6(9H)-one|9-((2R,5S)-5-Hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purin-6-one|9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one|BRN 3619529|ddI|ddIno|Didanosina|Didanosinum|Dideoxyinosine|Inosine, 2',3'-dideoxy-|NSC 612049|UNII-K3GDH6OH08|Videx EC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022927 https://doi.org/10.22427/NTP-DATA-DTXSID6022927
ERPathway2016 ERPathway2016_1029 Didanosine 69655-05-6 DTXSID6022927 ER Pathway Model, Antagonist Call Inactive Unitless OC[C@@H]1CC[C@@H](O1)N1C=NC2=C1N=CNC2=O Didanosine 69655-05-6|Didanosine|2,3-dideoxyinosine|2',3'-Dideoxyinosine|2',3'-Didesoxyinosine|9-((2R,5S)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-1H-purin-6(9H)-one|9-((2R,5S)-5-Hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purin-6-one|9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one|BRN 3619529|ddI|ddIno|Didanosina|Didanosinum|Dideoxyinosine|Inosine, 2',3'-dideoxy-|NSC 612049|UNII-K3GDH6OH08|Videx EC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022927 https://doi.org/10.22427/NTP-DATA-DTXSID6022927
ARPathway2016 ARPathway2016_259 Didecyldimethylammonium chloride 7173-51-5 DTXSID9032537 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 8.77563586952748 uM [Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC Didecyldimethylammonium chloride 7173-51-5|Didecyldimethylammonium chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride (1:1)|230-525-2|Aliquat 203|AMMONIUM CHLORIDE, N,N-DIDECYL-N,N-DIMETHYL-|Ammonium, didecyldimethyl-, chloride|Arquad 210-50|Arquad 210-50E|Arquad 210-80|Arquad 210-80E|Bardac 2250|Bardac 2270E|Bardac 2280|Bio-Dac|Bio-dac 50-22|Britewood Q|Britewood XL|Calgon H 130|Caswell No. 331A|Catiogen DDM|Cation DDC|Chlorure de didecyldimethylammonium|cloruro de didecildimetilamonio|Dairyland brand chg teat dip|DDAC C10-C10|DIDECYL DIMETHYL AMMONIUM CHLORIDE|Didecyl dimethyl ammonium chloride (1-Decanaminium, N-decyl-N,N-dimethyl-, chloride) (DDAC)|DIDECYL-DIMETHYL-AMMONIUM-CHLORID|Didecyldimethylammoniumchlorid|Didecyldimethylammounium chloride|Dimethyldidecylammonium chloride|Dodigen 1881|EC No.: 230-525-2|EINECS 230-525-2|EPA Pesticide Chemical Code 069149|Kamin RM 2D50A|Macrotrol MT 200|Microbiocide B 74|N-Decyl-N,N-dimethyl-1-decanaminium chloride|Nissan Cation 2DB|Quartamin D 10E|Quartamin D 10P|Quaternium 12|Quaternium-|126851-24-9|129186-13-6|154765-32-9|1632379-58-8|446279-85-2|879292-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032537
ARPathway2016 ARPathway2016_259 Didecyldimethylammonium chloride 7173-51-5 DTXSID9032537 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 8.30535999448496 uM [Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC Didecyldimethylammonium chloride 7173-51-5|Didecyldimethylammonium chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride (1:1)|230-525-2|Aliquat 203|AMMONIUM CHLORIDE, N,N-DIDECYL-N,N-DIMETHYL-|Ammonium, didecyldimethyl-, chloride|Arquad 210-50|Arquad 210-50E|Arquad 210-80|Arquad 210-80E|Bardac 2250|Bardac 2270E|Bardac 2280|Bio-Dac|Bio-dac 50-22|Britewood Q|Britewood XL|Calgon H 130|Caswell No. 331A|Catiogen DDM|Cation DDC|Chlorure de didecyldimethylammonium|cloruro de didecildimetilamonio|Dairyland brand chg teat dip|DDAC C10-C10|DIDECYL DIMETHYL AMMONIUM CHLORIDE|Didecyl dimethyl ammonium chloride (1-Decanaminium, N-decyl-N,N-dimethyl-, chloride) (DDAC)|DIDECYL-DIMETHYL-AMMONIUM-CHLORID|Didecyldimethylammoniumchlorid|Didecyldimethylammounium chloride|Dimethyldidecylammonium chloride|Dodigen 1881|EC No.: 230-525-2|EINECS 230-525-2|EPA Pesticide Chemical Code 069149|Kamin RM 2D50A|Macrotrol MT 200|Microbiocide B 74|N-Decyl-N,N-dimethyl-1-decanaminium chloride|Nissan Cation 2DB|Quartamin D 10E|Quartamin D 10P|Quaternium 12|Quaternium-|126851-24-9|129186-13-6|154765-32-9|1632379-58-8|446279-85-2|879292-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032537
ARPathway2016 ARPathway2016_259 Didecyldimethylammonium chloride 7173-51-5 DTXSID9032537 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.403 Unitless [Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC Didecyldimethylammonium chloride 7173-51-5|Didecyldimethylammonium chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride (1:1)|230-525-2|Aliquat 203|AMMONIUM CHLORIDE, N,N-DIDECYL-N,N-DIMETHYL-|Ammonium, didecyldimethyl-, chloride|Arquad 210-50|Arquad 210-50E|Arquad 210-80|Arquad 210-80E|Bardac 2250|Bardac 2270E|Bardac 2280|Bio-Dac|Bio-dac 50-22|Britewood Q|Britewood XL|Calgon H 130|Caswell No. 331A|Catiogen DDM|Cation DDC|Chlorure de didecyldimethylammonium|cloruro de didecildimetilamonio|Dairyland brand chg teat dip|DDAC C10-C10|DIDECYL DIMETHYL AMMONIUM CHLORIDE|Didecyl dimethyl ammonium chloride (1-Decanaminium, N-decyl-N,N-dimethyl-, chloride) (DDAC)|DIDECYL-DIMETHYL-AMMONIUM-CHLORID|Didecyldimethylammoniumchlorid|Didecyldimethylammounium chloride|Dimethyldidecylammonium chloride|Dodigen 1881|EC No.: 230-525-2|EINECS 230-525-2|EPA Pesticide Chemical Code 069149|Kamin RM 2D50A|Macrotrol MT 200|Microbiocide B 74|N-Decyl-N,N-dimethyl-1-decanaminium chloride|Nissan Cation 2DB|Quartamin D 10E|Quartamin D 10P|Quaternium 12|Quaternium-|126851-24-9|129186-13-6|154765-32-9|1632379-58-8|446279-85-2|879292-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032537
ARPathway2016 ARPathway2016_259 Didecyldimethylammonium chloride 7173-51-5 DTXSID9032537 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0.0182 Unitless [Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC Didecyldimethylammonium chloride 7173-51-5|Didecyldimethylammonium chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride (1:1)|230-525-2|Aliquat 203|AMMONIUM CHLORIDE, N,N-DIDECYL-N,N-DIMETHYL-|Ammonium, didecyldimethyl-, chloride|Arquad 210-50|Arquad 210-50E|Arquad 210-80|Arquad 210-80E|Bardac 2250|Bardac 2270E|Bardac 2280|Bio-Dac|Bio-dac 50-22|Britewood Q|Britewood XL|Calgon H 130|Caswell No. 331A|Catiogen DDM|Cation DDC|Chlorure de didecyldimethylammonium|cloruro de didecildimetilamonio|Dairyland brand chg teat dip|DDAC C10-C10|DIDECYL DIMETHYL AMMONIUM CHLORIDE|Didecyl dimethyl ammonium chloride (1-Decanaminium, N-decyl-N,N-dimethyl-, chloride) (DDAC)|DIDECYL-DIMETHYL-AMMONIUM-CHLORID|Didecyldimethylammoniumchlorid|Didecyldimethylammounium chloride|Dimethyldidecylammonium chloride|Dodigen 1881|EC No.: 230-525-2|EINECS 230-525-2|EPA Pesticide Chemical Code 069149|Kamin RM 2D50A|Macrotrol MT 200|Microbiocide B 74|N-Decyl-N,N-dimethyl-1-decanaminium chloride|Nissan Cation 2DB|Quartamin D 10E|Quartamin D 10P|Quaternium 12|Quaternium-|126851-24-9|129186-13-6|154765-32-9|1632379-58-8|446279-85-2|879292-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032537
ARPathway2016 ARPathway2016_259 Didecyldimethylammonium chloride 7173-51-5 DTXSID9032537 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC Didecyldimethylammonium chloride 7173-51-5|Didecyldimethylammonium chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride (1:1)|230-525-2|Aliquat 203|AMMONIUM CHLORIDE, N,N-DIDECYL-N,N-DIMETHYL-|Ammonium, didecyldimethyl-, chloride|Arquad 210-50|Arquad 210-50E|Arquad 210-80|Arquad 210-80E|Bardac 2250|Bardac 2270E|Bardac 2280|Bio-Dac|Bio-dac 50-22|Britewood Q|Britewood XL|Calgon H 130|Caswell No. 331A|Catiogen DDM|Cation DDC|Chlorure de didecyldimethylammonium|cloruro de didecildimetilamonio|Dairyland brand chg teat dip|DDAC C10-C10|DIDECYL DIMETHYL AMMONIUM CHLORIDE|Didecyl dimethyl ammonium chloride (1-Decanaminium, N-decyl-N,N-dimethyl-, chloride) (DDAC)|DIDECYL-DIMETHYL-AMMONIUM-CHLORID|Didecyldimethylammoniumchlorid|Didecyldimethylammounium chloride|Dimethyldidecylammonium chloride|Dodigen 1881|EC No.: 230-525-2|EINECS 230-525-2|EPA Pesticide Chemical Code 069149|Kamin RM 2D50A|Macrotrol MT 200|Microbiocide B 74|N-Decyl-N,N-dimethyl-1-decanaminium chloride|Nissan Cation 2DB|Quartamin D 10E|Quartamin D 10P|Quaternium 12|Quaternium-|126851-24-9|129186-13-6|154765-32-9|1632379-58-8|446279-85-2|879292-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032537
ARPathway2016 ARPathway2016_259 Didecyldimethylammonium chloride 7173-51-5 DTXSID9032537 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC Didecyldimethylammonium chloride 7173-51-5|Didecyldimethylammonium chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride (1:1)|230-525-2|Aliquat 203|AMMONIUM CHLORIDE, N,N-DIDECYL-N,N-DIMETHYL-|Ammonium, didecyldimethyl-, chloride|Arquad 210-50|Arquad 210-50E|Arquad 210-80|Arquad 210-80E|Bardac 2250|Bardac 2270E|Bardac 2280|Bio-Dac|Bio-dac 50-22|Britewood Q|Britewood XL|Calgon H 130|Caswell No. 331A|Catiogen DDM|Cation DDC|Chlorure de didecyldimethylammonium|cloruro de didecildimetilamonio|Dairyland brand chg teat dip|DDAC C10-C10|DIDECYL DIMETHYL AMMONIUM CHLORIDE|Didecyl dimethyl ammonium chloride (1-Decanaminium, N-decyl-N,N-dimethyl-, chloride) (DDAC)|DIDECYL-DIMETHYL-AMMONIUM-CHLORID|Didecyldimethylammoniumchlorid|Didecyldimethylammounium chloride|Dimethyldidecylammonium chloride|Dodigen 1881|EC No.: 230-525-2|EINECS 230-525-2|EPA Pesticide Chemical Code 069149|Kamin RM 2D50A|Macrotrol MT 200|Microbiocide B 74|N-Decyl-N,N-dimethyl-1-decanaminium chloride|Nissan Cation 2DB|Quartamin D 10E|Quartamin D 10P|Quaternium 12|Quaternium-|126851-24-9|129186-13-6|154765-32-9|1632379-58-8|446279-85-2|879292-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032537
ERPathway2016 ERPathway2016_42 Didecyldimethylammonium chloride 7173-51-5 DTXSID9032537 ER Pathway Model, Agonist AC50 19.0571698882926 uM [Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC Didecyldimethylammonium chloride 7173-51-5|Didecyldimethylammonium chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride (1:1)|230-525-2|Aliquat 203|AMMONIUM CHLORIDE, N,N-DIDECYL-N,N-DIMETHYL-|Ammonium, didecyldimethyl-, chloride|Arquad 210-50|Arquad 210-50E|Arquad 210-80|Arquad 210-80E|Bardac 2250|Bardac 2270E|Bardac 2280|Bio-Dac|Bio-dac 50-22|Britewood Q|Britewood XL|Calgon H 130|Caswell No. 331A|Catiogen DDM|Cation DDC|Chlorure de didecyldimethylammonium|cloruro de didecildimetilamonio|Dairyland brand chg teat dip|DDAC C10-C10|DIDECYL DIMETHYL AMMONIUM CHLORIDE|Didecyl dimethyl ammonium chloride (1-Decanaminium, N-decyl-N,N-dimethyl-, chloride) (DDAC)|DIDECYL-DIMETHYL-AMMONIUM-CHLORID|Didecyldimethylammoniumchlorid|Didecyldimethylammounium chloride|Dimethyldidecylammonium chloride|Dodigen 1881|EC No.: 230-525-2|EINECS 230-525-2|EPA Pesticide Chemical Code 069149|Kamin RM 2D50A|Macrotrol MT 200|Microbiocide B 74|N-Decyl-N,N-dimethyl-1-decanaminium chloride|Nissan Cation 2DB|Quartamin D 10E|Quartamin D 10P|Quaternium 12|Quaternium-|126851-24-9|129186-13-6|154765-32-9|1632379-58-8|446279-85-2|879292-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032537
ERPathway2016 ERPathway2016_42 Didecyldimethylammonium chloride 7173-51-5 DTXSID9032537 ER Pathway Model, Agonist ACC 12.2235650081618 uM [Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC Didecyldimethylammonium chloride 7173-51-5|Didecyldimethylammonium chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride (1:1)|230-525-2|Aliquat 203|AMMONIUM CHLORIDE, N,N-DIDECYL-N,N-DIMETHYL-|Ammonium, didecyldimethyl-, chloride|Arquad 210-50|Arquad 210-50E|Arquad 210-80|Arquad 210-80E|Bardac 2250|Bardac 2270E|Bardac 2280|Bio-Dac|Bio-dac 50-22|Britewood Q|Britewood XL|Calgon H 130|Caswell No. 331A|Catiogen DDM|Cation DDC|Chlorure de didecyldimethylammonium|cloruro de didecildimetilamonio|Dairyland brand chg teat dip|DDAC C10-C10|DIDECYL DIMETHYL AMMONIUM CHLORIDE|Didecyl dimethyl ammonium chloride (1-Decanaminium, N-decyl-N,N-dimethyl-, chloride) (DDAC)|DIDECYL-DIMETHYL-AMMONIUM-CHLORID|Didecyldimethylammoniumchlorid|Didecyldimethylammounium chloride|Dimethyldidecylammonium chloride|Dodigen 1881|EC No.: 230-525-2|EINECS 230-525-2|EPA Pesticide Chemical Code 069149|Kamin RM 2D50A|Macrotrol MT 200|Microbiocide B 74|N-Decyl-N,N-dimethyl-1-decanaminium chloride|Nissan Cation 2DB|Quartamin D 10E|Quartamin D 10P|Quaternium 12|Quaternium-|126851-24-9|129186-13-6|154765-32-9|1632379-58-8|446279-85-2|879292-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032537
ERPathway2016 ERPathway2016_42 Didecyldimethylammonium chloride 7173-51-5 DTXSID9032537 ER Pathway Model, Agonist Model Score 0.00313 Unitless [Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC Didecyldimethylammonium chloride 7173-51-5|Didecyldimethylammonium chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride (1:1)|230-525-2|Aliquat 203|AMMONIUM CHLORIDE, N,N-DIDECYL-N,N-DIMETHYL-|Ammonium, didecyldimethyl-, chloride|Arquad 210-50|Arquad 210-50E|Arquad 210-80|Arquad 210-80E|Bardac 2250|Bardac 2270E|Bardac 2280|Bio-Dac|Bio-dac 50-22|Britewood Q|Britewood XL|Calgon H 130|Caswell No. 331A|Catiogen DDM|Cation DDC|Chlorure de didecyldimethylammonium|cloruro de didecildimetilamonio|Dairyland brand chg teat dip|DDAC C10-C10|DIDECYL DIMETHYL AMMONIUM CHLORIDE|Didecyl dimethyl ammonium chloride (1-Decanaminium, N-decyl-N,N-dimethyl-, chloride) (DDAC)|DIDECYL-DIMETHYL-AMMONIUM-CHLORID|Didecyldimethylammoniumchlorid|Didecyldimethylammounium chloride|Dimethyldidecylammonium chloride|Dodigen 1881|EC No.: 230-525-2|EINECS 230-525-2|EPA Pesticide Chemical Code 069149|Kamin RM 2D50A|Macrotrol MT 200|Microbiocide B 74|N-Decyl-N,N-dimethyl-1-decanaminium chloride|Nissan Cation 2DB|Quartamin D 10E|Quartamin D 10P|Quaternium 12|Quaternium-|126851-24-9|129186-13-6|154765-32-9|1632379-58-8|446279-85-2|879292-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032537
ERPathway2016 ERPathway2016_42 Didecyldimethylammonium chloride 7173-51-5 DTXSID9032537 ER Pathway Model, Antagonist Model Score 0.085 Unitless [Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC Didecyldimethylammonium chloride 7173-51-5|Didecyldimethylammonium chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride (1:1)|230-525-2|Aliquat 203|AMMONIUM CHLORIDE, N,N-DIDECYL-N,N-DIMETHYL-|Ammonium, didecyldimethyl-, chloride|Arquad 210-50|Arquad 210-50E|Arquad 210-80|Arquad 210-80E|Bardac 2250|Bardac 2270E|Bardac 2280|Bio-Dac|Bio-dac 50-22|Britewood Q|Britewood XL|Calgon H 130|Caswell No. 331A|Catiogen DDM|Cation DDC|Chlorure de didecyldimethylammonium|cloruro de didecildimetilamonio|Dairyland brand chg teat dip|DDAC C10-C10|DIDECYL DIMETHYL AMMONIUM CHLORIDE|Didecyl dimethyl ammonium chloride (1-Decanaminium, N-decyl-N,N-dimethyl-, chloride) (DDAC)|DIDECYL-DIMETHYL-AMMONIUM-CHLORID|Didecyldimethylammoniumchlorid|Didecyldimethylammounium chloride|Dimethyldidecylammonium chloride|Dodigen 1881|EC No.: 230-525-2|EINECS 230-525-2|EPA Pesticide Chemical Code 069149|Kamin RM 2D50A|Macrotrol MT 200|Microbiocide B 74|N-Decyl-N,N-dimethyl-1-decanaminium chloride|Nissan Cation 2DB|Quartamin D 10E|Quartamin D 10P|Quaternium 12|Quaternium-|126851-24-9|129186-13-6|154765-32-9|1632379-58-8|446279-85-2|879292-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032537
ERPathway2016 ERPathway2016_42 Didecyldimethylammonium chloride 7173-51-5 DTXSID9032537 ER Pathway Model, Agonist Call Active Unitless [Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC Didecyldimethylammonium chloride 7173-51-5|Didecyldimethylammonium chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride (1:1)|230-525-2|Aliquat 203|AMMONIUM CHLORIDE, N,N-DIDECYL-N,N-DIMETHYL-|Ammonium, didecyldimethyl-, chloride|Arquad 210-50|Arquad 210-50E|Arquad 210-80|Arquad 210-80E|Bardac 2250|Bardac 2270E|Bardac 2280|Bio-Dac|Bio-dac 50-22|Britewood Q|Britewood XL|Calgon H 130|Caswell No. 331A|Catiogen DDM|Cation DDC|Chlorure de didecyldimethylammonium|cloruro de didecildimetilamonio|Dairyland brand chg teat dip|DDAC C10-C10|DIDECYL DIMETHYL AMMONIUM CHLORIDE|Didecyl dimethyl ammonium chloride (1-Decanaminium, N-decyl-N,N-dimethyl-, chloride) (DDAC)|DIDECYL-DIMETHYL-AMMONIUM-CHLORID|Didecyldimethylammoniumchlorid|Didecyldimethylammounium chloride|Dimethyldidecylammonium chloride|Dodigen 1881|EC No.: 230-525-2|EINECS 230-525-2|EPA Pesticide Chemical Code 069149|Kamin RM 2D50A|Macrotrol MT 200|Microbiocide B 74|N-Decyl-N,N-dimethyl-1-decanaminium chloride|Nissan Cation 2DB|Quartamin D 10E|Quartamin D 10P|Quaternium 12|Quaternium-|126851-24-9|129186-13-6|154765-32-9|1632379-58-8|446279-85-2|879292-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032537
ERPathway2016 ERPathway2016_42 Didecyldimethylammonium chloride 7173-51-5 DTXSID9032537 ER Pathway Model, Antagonist Call Inactive Unitless [Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC Didecyldimethylammonium chloride 7173-51-5|Didecyldimethylammonium chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride|1-Decanaminium, N-decyl-N,N-dimethyl-, chloride (1:1)|230-525-2|Aliquat 203|AMMONIUM CHLORIDE, N,N-DIDECYL-N,N-DIMETHYL-|Ammonium, didecyldimethyl-, chloride|Arquad 210-50|Arquad 210-50E|Arquad 210-80|Arquad 210-80E|Bardac 2250|Bardac 2270E|Bardac 2280|Bio-Dac|Bio-dac 50-22|Britewood Q|Britewood XL|Calgon H 130|Caswell No. 331A|Catiogen DDM|Cation DDC|Chlorure de didecyldimethylammonium|cloruro de didecildimetilamonio|Dairyland brand chg teat dip|DDAC C10-C10|DIDECYL DIMETHYL AMMONIUM CHLORIDE|Didecyl dimethyl ammonium chloride (1-Decanaminium, N-decyl-N,N-dimethyl-, chloride) (DDAC)|DIDECYL-DIMETHYL-AMMONIUM-CHLORID|Didecyldimethylammoniumchlorid|Didecyldimethylammounium chloride|Dimethyldidecylammonium chloride|Dodigen 1881|EC No.: 230-525-2|EINECS 230-525-2|EPA Pesticide Chemical Code 069149|Kamin RM 2D50A|Macrotrol MT 200|Microbiocide B 74|N-Decyl-N,N-dimethyl-1-decanaminium chloride|Nissan Cation 2DB|Quartamin D 10E|Quartamin D 10P|Quaternium 12|Quaternium-|126851-24-9|129186-13-6|154765-32-9|1632379-58-8|446279-85-2|879292-51-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032537
ARPathway2016 ARPathway2016_254 Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6 DTXSID5035589 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 28.8653898 uM [Cl-].CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6|Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride|1-Decanaminium, N-decyl-N-methyl-N-(3-(trimethoxysilyl)propyl)-, chloride|1-Decanaminium, N-decyl-N-methyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1)|3-(Trimethoxysilylpropyl)didecylmethylammonium chloride|Caswell No. 331C|Chlorure de disiquonium|Di-N-decylmethyl(3-trimethoxysilylpropyl)ammonium chloride|Didecyl methyl-(3-trimethoxysilyl)propyl ammonium chloride|Disicuonio cloruro|Disiquonii chloridum|Disiquonium chloride|EINECS 273-403-4|EPA Pesticide Chemical Code 169160|N,N-Didecyl-N-methyl-3-(trimethoxysilyl)propanaminium chloride|Requat 1977|Sanitized 1977|Trimethoxysilylpropyldidecylmethylammonium chloride|UNII-6G4NNS4CW4|104568-16-3|126040-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035589
ARPathway2016 ARPathway2016_254 Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6 DTXSID5035589 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 25.81460578 uM [Cl-].CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6|Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride|1-Decanaminium, N-decyl-N-methyl-N-(3-(trimethoxysilyl)propyl)-, chloride|1-Decanaminium, N-decyl-N-methyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1)|3-(Trimethoxysilylpropyl)didecylmethylammonium chloride|Caswell No. 331C|Chlorure de disiquonium|Di-N-decylmethyl(3-trimethoxysilylpropyl)ammonium chloride|Didecyl methyl-(3-trimethoxysilyl)propyl ammonium chloride|Disicuonio cloruro|Disiquonii chloridum|Disiquonium chloride|EINECS 273-403-4|EPA Pesticide Chemical Code 169160|N,N-Didecyl-N-methyl-3-(trimethoxysilyl)propanaminium chloride|Requat 1977|Sanitized 1977|Trimethoxysilylpropyldidecylmethylammonium chloride|UNII-6G4NNS4CW4|104568-16-3|126040-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035589
ARPathway2016 ARPathway2016_254 Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6 DTXSID5035589 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0761 Unitless [Cl-].CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6|Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride|1-Decanaminium, N-decyl-N-methyl-N-(3-(trimethoxysilyl)propyl)-, chloride|1-Decanaminium, N-decyl-N-methyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1)|3-(Trimethoxysilylpropyl)didecylmethylammonium chloride|Caswell No. 331C|Chlorure de disiquonium|Di-N-decylmethyl(3-trimethoxysilylpropyl)ammonium chloride|Didecyl methyl-(3-trimethoxysilyl)propyl ammonium chloride|Disicuonio cloruro|Disiquonii chloridum|Disiquonium chloride|EINECS 273-403-4|EPA Pesticide Chemical Code 169160|N,N-Didecyl-N-methyl-3-(trimethoxysilyl)propanaminium chloride|Requat 1977|Sanitized 1977|Trimethoxysilylpropyldidecylmethylammonium chloride|UNII-6G4NNS4CW4|104568-16-3|126040-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035589
ARPathway2016 ARPathway2016_254 Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6 DTXSID5035589 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [Cl-].CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6|Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride|1-Decanaminium, N-decyl-N-methyl-N-(3-(trimethoxysilyl)propyl)-, chloride|1-Decanaminium, N-decyl-N-methyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1)|3-(Trimethoxysilylpropyl)didecylmethylammonium chloride|Caswell No. 331C|Chlorure de disiquonium|Di-N-decylmethyl(3-trimethoxysilylpropyl)ammonium chloride|Didecyl methyl-(3-trimethoxysilyl)propyl ammonium chloride|Disicuonio cloruro|Disiquonii chloridum|Disiquonium chloride|EINECS 273-403-4|EPA Pesticide Chemical Code 169160|N,N-Didecyl-N-methyl-3-(trimethoxysilyl)propanaminium chloride|Requat 1977|Sanitized 1977|Trimethoxysilylpropyldidecylmethylammonium chloride|UNII-6G4NNS4CW4|104568-16-3|126040-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035589
ARPathway2016 ARPathway2016_254 Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6 DTXSID5035589 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Cl-].CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6|Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride|1-Decanaminium, N-decyl-N-methyl-N-(3-(trimethoxysilyl)propyl)-, chloride|1-Decanaminium, N-decyl-N-methyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1)|3-(Trimethoxysilylpropyl)didecylmethylammonium chloride|Caswell No. 331C|Chlorure de disiquonium|Di-N-decylmethyl(3-trimethoxysilylpropyl)ammonium chloride|Didecyl methyl-(3-trimethoxysilyl)propyl ammonium chloride|Disicuonio cloruro|Disiquonii chloridum|Disiquonium chloride|EINECS 273-403-4|EPA Pesticide Chemical Code 169160|N,N-Didecyl-N-methyl-3-(trimethoxysilyl)propanaminium chloride|Requat 1977|Sanitized 1977|Trimethoxysilylpropyldidecylmethylammonium chloride|UNII-6G4NNS4CW4|104568-16-3|126040-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035589
ARPathway2016 ARPathway2016_254 Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6 DTXSID5035589 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6|Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride|1-Decanaminium, N-decyl-N-methyl-N-(3-(trimethoxysilyl)propyl)-, chloride|1-Decanaminium, N-decyl-N-methyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1)|3-(Trimethoxysilylpropyl)didecylmethylammonium chloride|Caswell No. 331C|Chlorure de disiquonium|Di-N-decylmethyl(3-trimethoxysilylpropyl)ammonium chloride|Didecyl methyl-(3-trimethoxysilyl)propyl ammonium chloride|Disicuonio cloruro|Disiquonii chloridum|Disiquonium chloride|EINECS 273-403-4|EPA Pesticide Chemical Code 169160|N,N-Didecyl-N-methyl-3-(trimethoxysilyl)propanaminium chloride|Requat 1977|Sanitized 1977|Trimethoxysilylpropyldidecylmethylammonium chloride|UNII-6G4NNS4CW4|104568-16-3|126040-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035589
ERPathway2016 ERPathway2016_380 Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6 DTXSID5035589 ER Pathway Model, Antagonist AC50 47.0158743894253 uM [Cl-].CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6|Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride|1-Decanaminium, N-decyl-N-methyl-N-(3-(trimethoxysilyl)propyl)-, chloride|1-Decanaminium, N-decyl-N-methyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1)|3-(Trimethoxysilylpropyl)didecylmethylammonium chloride|Caswell No. 331C|Chlorure de disiquonium|Di-N-decylmethyl(3-trimethoxysilylpropyl)ammonium chloride|Didecyl methyl-(3-trimethoxysilyl)propyl ammonium chloride|Disicuonio cloruro|Disiquonii chloridum|Disiquonium chloride|EINECS 273-403-4|EPA Pesticide Chemical Code 169160|N,N-Didecyl-N-methyl-3-(trimethoxysilyl)propanaminium chloride|Requat 1977|Sanitized 1977|Trimethoxysilylpropyldidecylmethylammonium chloride|UNII-6G4NNS4CW4|104568-16-3|126040-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035589
ERPathway2016 ERPathway2016_380 Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6 DTXSID5035589 ER Pathway Model, Antagonist ACC 27.1316276725371 uM [Cl-].CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6|Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride|1-Decanaminium, N-decyl-N-methyl-N-(3-(trimethoxysilyl)propyl)-, chloride|1-Decanaminium, N-decyl-N-methyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1)|3-(Trimethoxysilylpropyl)didecylmethylammonium chloride|Caswell No. 331C|Chlorure de disiquonium|Di-N-decylmethyl(3-trimethoxysilylpropyl)ammonium chloride|Didecyl methyl-(3-trimethoxysilyl)propyl ammonium chloride|Disicuonio cloruro|Disiquonii chloridum|Disiquonium chloride|EINECS 273-403-4|EPA Pesticide Chemical Code 169160|N,N-Didecyl-N-methyl-3-(trimethoxysilyl)propanaminium chloride|Requat 1977|Sanitized 1977|Trimethoxysilylpropyldidecylmethylammonium chloride|UNII-6G4NNS4CW4|104568-16-3|126040-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035589
ERPathway2016 ERPathway2016_380 Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6 DTXSID5035589 ER Pathway Model, Agonist Model Score 0.0121 Unitless [Cl-].CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6|Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride|1-Decanaminium, N-decyl-N-methyl-N-(3-(trimethoxysilyl)propyl)-, chloride|1-Decanaminium, N-decyl-N-methyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1)|3-(Trimethoxysilylpropyl)didecylmethylammonium chloride|Caswell No. 331C|Chlorure de disiquonium|Di-N-decylmethyl(3-trimethoxysilylpropyl)ammonium chloride|Didecyl methyl-(3-trimethoxysilyl)propyl ammonium chloride|Disicuonio cloruro|Disiquonii chloridum|Disiquonium chloride|EINECS 273-403-4|EPA Pesticide Chemical Code 169160|N,N-Didecyl-N-methyl-3-(trimethoxysilyl)propanaminium chloride|Requat 1977|Sanitized 1977|Trimethoxysilylpropyldidecylmethylammonium chloride|UNII-6G4NNS4CW4|104568-16-3|126040-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035589
ERPathway2016 ERPathway2016_380 Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6 DTXSID5035589 ER Pathway Model, Antagonist Model Score 0.0019 Unitless [Cl-].CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6|Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride|1-Decanaminium, N-decyl-N-methyl-N-(3-(trimethoxysilyl)propyl)-, chloride|1-Decanaminium, N-decyl-N-methyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1)|3-(Trimethoxysilylpropyl)didecylmethylammonium chloride|Caswell No. 331C|Chlorure de disiquonium|Di-N-decylmethyl(3-trimethoxysilylpropyl)ammonium chloride|Didecyl methyl-(3-trimethoxysilyl)propyl ammonium chloride|Disicuonio cloruro|Disiquonii chloridum|Disiquonium chloride|EINECS 273-403-4|EPA Pesticide Chemical Code 169160|N,N-Didecyl-N-methyl-3-(trimethoxysilyl)propanaminium chloride|Requat 1977|Sanitized 1977|Trimethoxysilylpropyldidecylmethylammonium chloride|UNII-6G4NNS4CW4|104568-16-3|126040-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035589
ERPathway2016 ERPathway2016_380 Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6 DTXSID5035589 ER Pathway Model, Agonist Call Inactive Unitless [Cl-].CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6|Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride|1-Decanaminium, N-decyl-N-methyl-N-(3-(trimethoxysilyl)propyl)-, chloride|1-Decanaminium, N-decyl-N-methyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1)|3-(Trimethoxysilylpropyl)didecylmethylammonium chloride|Caswell No. 331C|Chlorure de disiquonium|Di-N-decylmethyl(3-trimethoxysilylpropyl)ammonium chloride|Didecyl methyl-(3-trimethoxysilyl)propyl ammonium chloride|Disicuonio cloruro|Disiquonii chloridum|Disiquonium chloride|EINECS 273-403-4|EPA Pesticide Chemical Code 169160|N,N-Didecyl-N-methyl-3-(trimethoxysilyl)propanaminium chloride|Requat 1977|Sanitized 1977|Trimethoxysilylpropyldidecylmethylammonium chloride|UNII-6G4NNS4CW4|104568-16-3|126040-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035589
ERPathway2016 ERPathway2016_380 Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6 DTXSID5035589 ER Pathway Model, Antagonist Call Active Unitless [Cl-].CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride 68959-20-6|Didecylmethyl(3-(trimethoxysilyl)propyl)ammonium chloride|1-Decanaminium, N-decyl-N-methyl-N-(3-(trimethoxysilyl)propyl)-, chloride|1-Decanaminium, N-decyl-N-methyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1)|3-(Trimethoxysilylpropyl)didecylmethylammonium chloride|Caswell No. 331C|Chlorure de disiquonium|Di-N-decylmethyl(3-trimethoxysilylpropyl)ammonium chloride|Didecyl methyl-(3-trimethoxysilyl)propyl ammonium chloride|Disicuonio cloruro|Disiquonii chloridum|Disiquonium chloride|EINECS 273-403-4|EPA Pesticide Chemical Code 169160|N,N-Didecyl-N-methyl-3-(trimethoxysilyl)propanaminium chloride|Requat 1977|Sanitized 1977|Trimethoxysilylpropyldidecylmethylammonium chloride|UNII-6G4NNS4CW4|104568-16-3|126040-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035589
ARPathway2016 ARPathway2016_232 Dieldrin 60-57-1 DTXSID9020453 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Agonist AC50 35.48254668 uM [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@@]2([H])[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Dieldrin 60-57-1|Dieldrin|(1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1aa,2b,2aa,3b,6b,6aa,7b,7aa)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxirene|(1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5R,6R,7S,8S,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo,exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,exo-|1,8,9,10,11,11-Hexachloro-4,5-exo epoxy-2,3-7,6-endo-2,1-7,8-exo-tetracyclo(6.2.1.1 3,6.0 2,7)dodec-9-ene|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aS,3S,6R,6|12622-75-2|17301-10-9|3039-00-7|33648-22-5|59029-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020453
ARPathway2016 ARPathway2016_232 Dieldrin 60-57-1 DTXSID9020453 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Agonist ACC 42.96832072 uM [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@@]2([H])[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Dieldrin 60-57-1|Dieldrin|(1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1aa,2b,2aa,3b,6b,6aa,7b,7aa)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxirene|(1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5R,6R,7S,8S,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo,exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,exo-|1,8,9,10,11,11-Hexachloro-4,5-exo epoxy-2,3-7,6-endo-2,1-7,8-exo-tetracyclo(6.2.1.1 3,6.0 2,7)dodec-9-ene|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aS,3S,6R,6|12622-75-2|17301-10-9|3039-00-7|33648-22-5|59029-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020453
ARPathway2016 ARPathway2016_232 Dieldrin 60-57-1 DTXSID9020453 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Antagonist Model Score 0.0415 Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@@]2([H])[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Dieldrin 60-57-1|Dieldrin|(1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1aa,2b,2aa,3b,6b,6aa,7b,7aa)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxirene|(1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5R,6R,7S,8S,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo,exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,exo-|1,8,9,10,11,11-Hexachloro-4,5-exo epoxy-2,3-7,6-endo-2,1-7,8-exo-tetracyclo(6.2.1.1 3,6.0 2,7)dodec-9-ene|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aS,3S,6R,6|12622-75-2|17301-10-9|3039-00-7|33648-22-5|59029-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020453
ARPathway2016 ARPathway2016_232 Dieldrin 60-57-1 DTXSID9020453 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@@]2([H])[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Dieldrin 60-57-1|Dieldrin|(1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1aa,2b,2aa,3b,6b,6aa,7b,7aa)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxirene|(1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5R,6R,7S,8S,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo,exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,exo-|1,8,9,10,11,11-Hexachloro-4,5-exo epoxy-2,3-7,6-endo-2,1-7,8-exo-tetracyclo(6.2.1.1 3,6.0 2,7)dodec-9-ene|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aS,3S,6R,6|12622-75-2|17301-10-9|3039-00-7|33648-22-5|59029-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020453
ARPathway2016 ARPathway2016_232 Dieldrin 60-57-1 DTXSID9020453 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Agonist Call Active Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@@]2([H])[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Dieldrin 60-57-1|Dieldrin|(1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1aa,2b,2aa,3b,6b,6aa,7b,7aa)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxirene|(1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5R,6R,7S,8S,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo,exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,exo-|1,8,9,10,11,11-Hexachloro-4,5-exo epoxy-2,3-7,6-endo-2,1-7,8-exo-tetracyclo(6.2.1.1 3,6.0 2,7)dodec-9-ene|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aS,3S,6R,6|12622-75-2|17301-10-9|3039-00-7|33648-22-5|59029-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020453
ARPathway2016 ARPathway2016_232 Dieldrin 60-57-1 DTXSID9020453 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@@]2([H])[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Dieldrin 60-57-1|Dieldrin|(1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1aa,2b,2aa,3b,6b,6aa,7b,7aa)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxirene|(1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5R,6R,7S,8S,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo,exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,exo-|1,8,9,10,11,11-Hexachloro-4,5-exo epoxy-2,3-7,6-endo-2,1-7,8-exo-tetracyclo(6.2.1.1 3,6.0 2,7)dodec-9-ene|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aS,3S,6R,6|12622-75-2|17301-10-9|3039-00-7|33648-22-5|59029-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020453
ERPathway2016 ERPathway2016_350 Dieldrin 60-57-1 DTXSID9020453 R6 ER Pathway Model, Antagonist AC50 8.50187891911214 uM [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@@]2([H])[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Dieldrin 60-57-1|Dieldrin|(1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1aa,2b,2aa,3b,6b,6aa,7b,7aa)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxirene|(1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5R,6R,7S,8S,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo,exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,exo-|1,8,9,10,11,11-Hexachloro-4,5-exo epoxy-2,3-7,6-endo-2,1-7,8-exo-tetracyclo(6.2.1.1 3,6.0 2,7)dodec-9-ene|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aS,3S,6R,6|12622-75-2|17301-10-9|3039-00-7|33648-22-5|59029-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020453
ERPathway2016 ERPathway2016_350 Dieldrin 60-57-1 DTXSID9020453 R6 ER Pathway Model, Antagonist ACC 13.1815703135059 uM [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@@]2([H])[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Dieldrin 60-57-1|Dieldrin|(1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1aa,2b,2aa,3b,6b,6aa,7b,7aa)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxirene|(1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5R,6R,7S,8S,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo,exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,exo-|1,8,9,10,11,11-Hexachloro-4,5-exo epoxy-2,3-7,6-endo-2,1-7,8-exo-tetracyclo(6.2.1.1 3,6.0 2,7)dodec-9-ene|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aS,3S,6R,6|12622-75-2|17301-10-9|3039-00-7|33648-22-5|59029-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020453
ERPathway2016 ERPathway2016_350 Dieldrin 60-57-1 DTXSID9020453 R6 ER Pathway Model, Agonist Model Score 0.0181 Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@@]2([H])[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Dieldrin 60-57-1|Dieldrin|(1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1aa,2b,2aa,3b,6b,6aa,7b,7aa)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxirene|(1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5R,6R,7S,8S,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo,exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,exo-|1,8,9,10,11,11-Hexachloro-4,5-exo epoxy-2,3-7,6-endo-2,1-7,8-exo-tetracyclo(6.2.1.1 3,6.0 2,7)dodec-9-ene|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aS,3S,6R,6|12622-75-2|17301-10-9|3039-00-7|33648-22-5|59029-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020453
ERPathway2016 ERPathway2016_350 Dieldrin 60-57-1 DTXSID9020453 R6 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@@]2([H])[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Dieldrin 60-57-1|Dieldrin|(1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1aa,2b,2aa,3b,6b,6aa,7b,7aa)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxirene|(1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5R,6R,7S,8S,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo,exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,exo-|1,8,9,10,11,11-Hexachloro-4,5-exo epoxy-2,3-7,6-endo-2,1-7,8-exo-tetracyclo(6.2.1.1 3,6.0 2,7)dodec-9-ene|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aS,3S,6R,6|12622-75-2|17301-10-9|3039-00-7|33648-22-5|59029-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020453
ERPathway2016 ERPathway2016_350 Dieldrin 60-57-1 DTXSID9020453 R6 ER Pathway Model, Agonist Call Inactive Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@@]2([H])[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Dieldrin 60-57-1|Dieldrin|(1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1aa,2b,2aa,3b,6b,6aa,7b,7aa)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxirene|(1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5R,6R,7S,8S,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo,exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,exo-|1,8,9,10,11,11-Hexachloro-4,5-exo epoxy-2,3-7,6-endo-2,1-7,8-exo-tetracyclo(6.2.1.1 3,6.0 2,7)dodec-9-ene|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aS,3S,6R,6|12622-75-2|17301-10-9|3039-00-7|33648-22-5|59029-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020453
ERPathway2016 ERPathway2016_350 Dieldrin 60-57-1 DTXSID9020453 R6 ER Pathway Model, Antagonist Call Active Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@@]2([H])[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Dieldrin 60-57-1|Dieldrin|(1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1aa,2b,2aa,3b,6b,6aa,7b,7aa)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxirene|(1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5R,6R,7S,8S,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo,exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,exo-|1,8,9,10,11,11-Hexachloro-4,5-exo epoxy-2,3-7,6-endo-2,1-7,8-exo-tetracyclo(6.2.1.1 3,6.0 2,7)dodec-9-ene|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aS,3S,6R,6|12622-75-2|17301-10-9|3039-00-7|33648-22-5|59029-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020453
ARPathway2016 ARPathway2016_567 Diethanolamine 111-42-2 DTXSID3021932 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCCNCCO Diethanolamine 111-42-2|Diethanolamine|2-(2-Hydroxy-ethylamino)-ethanol|2-(2-hydroxyethylamino)ethanol|2-[(2-hydroxyethyl)amino]ethan-1-ol|2-[(2-Hydroxyethyl)amino]ethanol|2,2-Iminodiethanol|2,2'-Dihydroxydiethylamine|2,2'-Iminobis|2,2'-Iminobis[ethanol]|2,2'-Iminobisethanol|2,2'-Iminodi-1-ethanol|2,2'-iminodietanol|2,2'-Iminodiethanol|2,2'Iminobisethanol|4-04-00-01514|Aliphatic amine|bis-(2-hydroxy-ethyl)-amine|Bis-2-hydroxyethylamine|Bis(2-hydroxyethyl)amine|Bis(2-hydroxyethyl)tallow amine oxide|Bis(hydroxyethyl)amine|BRN 0605315|Dabco DEOA-LF|DEA|DEAO-LF|Di(2-hydroxyethyl)amine|Di(beta-hydroxyethyl)amine|Di(b-hydroxyethyl)amine|DIAETHANOLAMIN|Diethanolamin|Diethanolamine 80|Diethylamine, 2,2'-dihydroxy-|Diethylolamine|Dihydroxyethyl tallowamine oxide|Diolamine|EINECS 203-868-0|Ethanol, 2,2'-iminobis-|Ethanol, 2,2'-iminodi-|Ethanol, 2',2'-iminobis-|H2dea|Iminodiethanol|N,N-Bis(2-hydroxyethyl)amine|N,N-Di(2-hydroxyethyl)amine|N,N-Di(hydroxyethyl)amine|N,N-DIETHANOLAMINE|N,N'-Iminodiethanol|NCI-C55174|Niax DEOA-LF|NSC 4959|UNII-AZE05TDV2V|8033-73-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021932 https://doi.org/10.22427/NTP-DATA-DTXSID3021932
ARPathway2016 ARPathway2016_567 Diethanolamine 111-42-2 DTXSID3021932 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCCNCCO Diethanolamine 111-42-2|Diethanolamine|2-(2-Hydroxy-ethylamino)-ethanol|2-(2-hydroxyethylamino)ethanol|2-[(2-hydroxyethyl)amino]ethan-1-ol|2-[(2-Hydroxyethyl)amino]ethanol|2,2-Iminodiethanol|2,2'-Dihydroxydiethylamine|2,2'-Iminobis|2,2'-Iminobis[ethanol]|2,2'-Iminobisethanol|2,2'-Iminodi-1-ethanol|2,2'-iminodietanol|2,2'-Iminodiethanol|2,2'Iminobisethanol|4-04-00-01514|Aliphatic amine|bis-(2-hydroxy-ethyl)-amine|Bis-2-hydroxyethylamine|Bis(2-hydroxyethyl)amine|Bis(2-hydroxyethyl)tallow amine oxide|Bis(hydroxyethyl)amine|BRN 0605315|Dabco DEOA-LF|DEA|DEAO-LF|Di(2-hydroxyethyl)amine|Di(beta-hydroxyethyl)amine|Di(b-hydroxyethyl)amine|DIAETHANOLAMIN|Diethanolamin|Diethanolamine 80|Diethylamine, 2,2'-dihydroxy-|Diethylolamine|Dihydroxyethyl tallowamine oxide|Diolamine|EINECS 203-868-0|Ethanol, 2,2'-iminobis-|Ethanol, 2,2'-iminodi-|Ethanol, 2',2'-iminobis-|H2dea|Iminodiethanol|N,N-Bis(2-hydroxyethyl)amine|N,N-Di(2-hydroxyethyl)amine|N,N-Di(hydroxyethyl)amine|N,N-DIETHANOLAMINE|N,N'-Iminodiethanol|NCI-C55174|Niax DEOA-LF|NSC 4959|UNII-AZE05TDV2V|8033-73-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021932 https://doi.org/10.22427/NTP-DATA-DTXSID3021932
ARPathway2016 ARPathway2016_567 Diethanolamine 111-42-2 DTXSID3021932 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCCNCCO Diethanolamine 111-42-2|Diethanolamine|2-(2-Hydroxy-ethylamino)-ethanol|2-(2-hydroxyethylamino)ethanol|2-[(2-hydroxyethyl)amino]ethan-1-ol|2-[(2-Hydroxyethyl)amino]ethanol|2,2-Iminodiethanol|2,2'-Dihydroxydiethylamine|2,2'-Iminobis|2,2'-Iminobis[ethanol]|2,2'-Iminobisethanol|2,2'-Iminodi-1-ethanol|2,2'-iminodietanol|2,2'-Iminodiethanol|2,2'Iminobisethanol|4-04-00-01514|Aliphatic amine|bis-(2-hydroxy-ethyl)-amine|Bis-2-hydroxyethylamine|Bis(2-hydroxyethyl)amine|Bis(2-hydroxyethyl)tallow amine oxide|Bis(hydroxyethyl)amine|BRN 0605315|Dabco DEOA-LF|DEA|DEAO-LF|Di(2-hydroxyethyl)amine|Di(beta-hydroxyethyl)amine|Di(b-hydroxyethyl)amine|DIAETHANOLAMIN|Diethanolamin|Diethanolamine 80|Diethylamine, 2,2'-dihydroxy-|Diethylolamine|Dihydroxyethyl tallowamine oxide|Diolamine|EINECS 203-868-0|Ethanol, 2,2'-iminobis-|Ethanol, 2,2'-iminodi-|Ethanol, 2',2'-iminobis-|H2dea|Iminodiethanol|N,N-Bis(2-hydroxyethyl)amine|N,N-Di(2-hydroxyethyl)amine|N,N-Di(hydroxyethyl)amine|N,N-DIETHANOLAMINE|N,N'-Iminodiethanol|NCI-C55174|Niax DEOA-LF|NSC 4959|UNII-AZE05TDV2V|8033-73-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021932 https://doi.org/10.22427/NTP-DATA-DTXSID3021932
ARPathway2016 ARPathway2016_567 Diethanolamine 111-42-2 DTXSID3021932 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCCNCCO Diethanolamine 111-42-2|Diethanolamine|2-(2-Hydroxy-ethylamino)-ethanol|2-(2-hydroxyethylamino)ethanol|2-[(2-hydroxyethyl)amino]ethan-1-ol|2-[(2-Hydroxyethyl)amino]ethanol|2,2-Iminodiethanol|2,2'-Dihydroxydiethylamine|2,2'-Iminobis|2,2'-Iminobis[ethanol]|2,2'-Iminobisethanol|2,2'-Iminodi-1-ethanol|2,2'-iminodietanol|2,2'-Iminodiethanol|2,2'Iminobisethanol|4-04-00-01514|Aliphatic amine|bis-(2-hydroxy-ethyl)-amine|Bis-2-hydroxyethylamine|Bis(2-hydroxyethyl)amine|Bis(2-hydroxyethyl)tallow amine oxide|Bis(hydroxyethyl)amine|BRN 0605315|Dabco DEOA-LF|DEA|DEAO-LF|Di(2-hydroxyethyl)amine|Di(beta-hydroxyethyl)amine|Di(b-hydroxyethyl)amine|DIAETHANOLAMIN|Diethanolamin|Diethanolamine 80|Diethylamine, 2,2'-dihydroxy-|Diethylolamine|Dihydroxyethyl tallowamine oxide|Diolamine|EINECS 203-868-0|Ethanol, 2,2'-iminobis-|Ethanol, 2,2'-iminodi-|Ethanol, 2',2'-iminobis-|H2dea|Iminodiethanol|N,N-Bis(2-hydroxyethyl)amine|N,N-Di(2-hydroxyethyl)amine|N,N-Di(hydroxyethyl)amine|N,N-DIETHANOLAMINE|N,N'-Iminodiethanol|NCI-C55174|Niax DEOA-LF|NSC 4959|UNII-AZE05TDV2V|8033-73-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021932 https://doi.org/10.22427/NTP-DATA-DTXSID3021932
ERPathway2016 ERPathway2016_749 Diethanolamine 111-42-2 DTXSID3021932 A5 ER Pathway Model, Agonist Model Score 0 Unitless OCCNCCO Diethanolamine 111-42-2|Diethanolamine|2-(2-Hydroxy-ethylamino)-ethanol|2-(2-hydroxyethylamino)ethanol|2-[(2-hydroxyethyl)amino]ethan-1-ol|2-[(2-Hydroxyethyl)amino]ethanol|2,2-Iminodiethanol|2,2'-Dihydroxydiethylamine|2,2'-Iminobis|2,2'-Iminobis[ethanol]|2,2'-Iminobisethanol|2,2'-Iminodi-1-ethanol|2,2'-iminodietanol|2,2'-Iminodiethanol|2,2'Iminobisethanol|4-04-00-01514|Aliphatic amine|bis-(2-hydroxy-ethyl)-amine|Bis-2-hydroxyethylamine|Bis(2-hydroxyethyl)amine|Bis(2-hydroxyethyl)tallow amine oxide|Bis(hydroxyethyl)amine|BRN 0605315|Dabco DEOA-LF|DEA|DEAO-LF|Di(2-hydroxyethyl)amine|Di(beta-hydroxyethyl)amine|Di(b-hydroxyethyl)amine|DIAETHANOLAMIN|Diethanolamin|Diethanolamine 80|Diethylamine, 2,2'-dihydroxy-|Diethylolamine|Dihydroxyethyl tallowamine oxide|Diolamine|EINECS 203-868-0|Ethanol, 2,2'-iminobis-|Ethanol, 2,2'-iminodi-|Ethanol, 2',2'-iminobis-|H2dea|Iminodiethanol|N,N-Bis(2-hydroxyethyl)amine|N,N-Di(2-hydroxyethyl)amine|N,N-Di(hydroxyethyl)amine|N,N-DIETHANOLAMINE|N,N'-Iminodiethanol|NCI-C55174|Niax DEOA-LF|NSC 4959|UNII-AZE05TDV2V|8033-73-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021932 https://doi.org/10.22427/NTP-DATA-DTXSID3021932
ERPathway2016 ERPathway2016_749 Diethanolamine 111-42-2 DTXSID3021932 A5 ER Pathway Model, Antagonist Model Score 0 Unitless OCCNCCO Diethanolamine 111-42-2|Diethanolamine|2-(2-Hydroxy-ethylamino)-ethanol|2-(2-hydroxyethylamino)ethanol|2-[(2-hydroxyethyl)amino]ethan-1-ol|2-[(2-Hydroxyethyl)amino]ethanol|2,2-Iminodiethanol|2,2'-Dihydroxydiethylamine|2,2'-Iminobis|2,2'-Iminobis[ethanol]|2,2'-Iminobisethanol|2,2'-Iminodi-1-ethanol|2,2'-iminodietanol|2,2'-Iminodiethanol|2,2'Iminobisethanol|4-04-00-01514|Aliphatic amine|bis-(2-hydroxy-ethyl)-amine|Bis-2-hydroxyethylamine|Bis(2-hydroxyethyl)amine|Bis(2-hydroxyethyl)tallow amine oxide|Bis(hydroxyethyl)amine|BRN 0605315|Dabco DEOA-LF|DEA|DEAO-LF|Di(2-hydroxyethyl)amine|Di(beta-hydroxyethyl)amine|Di(b-hydroxyethyl)amine|DIAETHANOLAMIN|Diethanolamin|Diethanolamine 80|Diethylamine, 2,2'-dihydroxy-|Diethylolamine|Dihydroxyethyl tallowamine oxide|Diolamine|EINECS 203-868-0|Ethanol, 2,2'-iminobis-|Ethanol, 2,2'-iminodi-|Ethanol, 2',2'-iminobis-|H2dea|Iminodiethanol|N,N-Bis(2-hydroxyethyl)amine|N,N-Di(2-hydroxyethyl)amine|N,N-Di(hydroxyethyl)amine|N,N-DIETHANOLAMINE|N,N'-Iminodiethanol|NCI-C55174|Niax DEOA-LF|NSC 4959|UNII-AZE05TDV2V|8033-73-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021932 https://doi.org/10.22427/NTP-DATA-DTXSID3021932
ERPathway2016 ERPathway2016_749 Diethanolamine 111-42-2 DTXSID3021932 A5 ER Pathway Model, Agonist Call Inactive Unitless OCCNCCO Diethanolamine 111-42-2|Diethanolamine|2-(2-Hydroxy-ethylamino)-ethanol|2-(2-hydroxyethylamino)ethanol|2-[(2-hydroxyethyl)amino]ethan-1-ol|2-[(2-Hydroxyethyl)amino]ethanol|2,2-Iminodiethanol|2,2'-Dihydroxydiethylamine|2,2'-Iminobis|2,2'-Iminobis[ethanol]|2,2'-Iminobisethanol|2,2'-Iminodi-1-ethanol|2,2'-iminodietanol|2,2'-Iminodiethanol|2,2'Iminobisethanol|4-04-00-01514|Aliphatic amine|bis-(2-hydroxy-ethyl)-amine|Bis-2-hydroxyethylamine|Bis(2-hydroxyethyl)amine|Bis(2-hydroxyethyl)tallow amine oxide|Bis(hydroxyethyl)amine|BRN 0605315|Dabco DEOA-LF|DEA|DEAO-LF|Di(2-hydroxyethyl)amine|Di(beta-hydroxyethyl)amine|Di(b-hydroxyethyl)amine|DIAETHANOLAMIN|Diethanolamin|Diethanolamine 80|Diethylamine, 2,2'-dihydroxy-|Diethylolamine|Dihydroxyethyl tallowamine oxide|Diolamine|EINECS 203-868-0|Ethanol, 2,2'-iminobis-|Ethanol, 2,2'-iminodi-|Ethanol, 2',2'-iminobis-|H2dea|Iminodiethanol|N,N-Bis(2-hydroxyethyl)amine|N,N-Di(2-hydroxyethyl)amine|N,N-Di(hydroxyethyl)amine|N,N-DIETHANOLAMINE|N,N'-Iminodiethanol|NCI-C55174|Niax DEOA-LF|NSC 4959|UNII-AZE05TDV2V|8033-73-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021932 https://doi.org/10.22427/NTP-DATA-DTXSID3021932
ERPathway2016 ERPathway2016_749 Diethanolamine 111-42-2 DTXSID3021932 A5 ER Pathway Model, Antagonist Call Inactive Unitless OCCNCCO Diethanolamine 111-42-2|Diethanolamine|2-(2-Hydroxy-ethylamino)-ethanol|2-(2-hydroxyethylamino)ethanol|2-[(2-hydroxyethyl)amino]ethan-1-ol|2-[(2-Hydroxyethyl)amino]ethanol|2,2-Iminodiethanol|2,2'-Dihydroxydiethylamine|2,2'-Iminobis|2,2'-Iminobis[ethanol]|2,2'-Iminobisethanol|2,2'-Iminodi-1-ethanol|2,2'-iminodietanol|2,2'-Iminodiethanol|2,2'Iminobisethanol|4-04-00-01514|Aliphatic amine|bis-(2-hydroxy-ethyl)-amine|Bis-2-hydroxyethylamine|Bis(2-hydroxyethyl)amine|Bis(2-hydroxyethyl)tallow amine oxide|Bis(hydroxyethyl)amine|BRN 0605315|Dabco DEOA-LF|DEA|DEAO-LF|Di(2-hydroxyethyl)amine|Di(beta-hydroxyethyl)amine|Di(b-hydroxyethyl)amine|DIAETHANOLAMIN|Diethanolamin|Diethanolamine 80|Diethylamine, 2,2'-dihydroxy-|Diethylolamine|Dihydroxyethyl tallowamine oxide|Diolamine|EINECS 203-868-0|Ethanol, 2,2'-iminobis-|Ethanol, 2,2'-iminodi-|Ethanol, 2',2'-iminobis-|H2dea|Iminodiethanol|N,N-Bis(2-hydroxyethyl)amine|N,N-Di(2-hydroxyethyl)amine|N,N-Di(hydroxyethyl)amine|N,N-DIETHANOLAMINE|N,N'-Iminodiethanol|NCI-C55174|Niax DEOA-LF|NSC 4959|UNII-AZE05TDV2V|8033-73-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021932 https://doi.org/10.22427/NTP-DATA-DTXSID3021932
ARPathway2016 ARPathway2016_715 Diethyl butanedioate 123-25-1 DTXSID2038732 1.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)CCC(=O)OCC Diethyl butanedioate 123-25-1|Diethyl butanedioate|. Diethyl Succinate|2-Butanedioic acid diethyl ester|4-02-00-01914|BERNSTEINSAEURE-DIAETHYLESTER|BRN 0907645|Butandioic acid diethyl ester|Butanedioic acid, 1,4-diethyl ester|Butanedioic acid, diethyl ester|Diethyl ethanedicarboxylate|diethyl succinate|Diethylester kyseliny jantarove|Diethylsuccinat|EINECS 204-612-0|Ethyl succinate|FEMA No. 2377|NSC 8875|Succinate de diethyle|SUCCINATE, DIETHYL|succinato de dietilo|Succinic acid, diethyl ester|UNII-ELP55C13DR|1253690-20-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2038732
ARPathway2016 ARPathway2016_715 Diethyl butanedioate 123-25-1 DTXSID2038732 1.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)CCC(=O)OCC Diethyl butanedioate 123-25-1|Diethyl butanedioate|. Diethyl Succinate|2-Butanedioic acid diethyl ester|4-02-00-01914|BERNSTEINSAEURE-DIAETHYLESTER|BRN 0907645|Butandioic acid diethyl ester|Butanedioic acid, 1,4-diethyl ester|Butanedioic acid, diethyl ester|Diethyl ethanedicarboxylate|diethyl succinate|Diethylester kyseliny jantarove|Diethylsuccinat|EINECS 204-612-0|Ethyl succinate|FEMA No. 2377|NSC 8875|Succinate de diethyle|SUCCINATE, DIETHYL|succinato de dietilo|Succinic acid, diethyl ester|UNII-ELP55C13DR|1253690-20-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2038732
ARPathway2016 ARPathway2016_715 Diethyl butanedioate 123-25-1 DTXSID2038732 1.0 A3 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)CCC(=O)OCC Diethyl butanedioate 123-25-1|Diethyl butanedioate|. Diethyl Succinate|2-Butanedioic acid diethyl ester|4-02-00-01914|BERNSTEINSAEURE-DIAETHYLESTER|BRN 0907645|Butandioic acid diethyl ester|Butanedioic acid, 1,4-diethyl ester|Butanedioic acid, diethyl ester|Diethyl ethanedicarboxylate|diethyl succinate|Diethylester kyseliny jantarove|Diethylsuccinat|EINECS 204-612-0|Ethyl succinate|FEMA No. 2377|NSC 8875|Succinate de diethyle|SUCCINATE, DIETHYL|succinato de dietilo|Succinic acid, diethyl ester|UNII-ELP55C13DR|1253690-20-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2038732
ARPathway2016 ARPathway2016_715 Diethyl butanedioate 123-25-1 DTXSID2038732 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)CCC(=O)OCC Diethyl butanedioate 123-25-1|Diethyl butanedioate|. Diethyl Succinate|2-Butanedioic acid diethyl ester|4-02-00-01914|BERNSTEINSAEURE-DIAETHYLESTER|BRN 0907645|Butandioic acid diethyl ester|Butanedioic acid, 1,4-diethyl ester|Butanedioic acid, diethyl ester|Diethyl ethanedicarboxylate|diethyl succinate|Diethylester kyseliny jantarove|Diethylsuccinat|EINECS 204-612-0|Ethyl succinate|FEMA No. 2377|NSC 8875|Succinate de diethyle|SUCCINATE, DIETHYL|succinato de dietilo|Succinic acid, diethyl ester|UNII-ELP55C13DR|1253690-20-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2038732
ERPathway2016 ERPathway2016_1232 Diethyl butanedioate 123-25-1 DTXSID2038732 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)CCC(=O)OCC Diethyl butanedioate 123-25-1|Diethyl butanedioate|. Diethyl Succinate|2-Butanedioic acid diethyl ester|4-02-00-01914|BERNSTEINSAEURE-DIAETHYLESTER|BRN 0907645|Butandioic acid diethyl ester|Butanedioic acid, 1,4-diethyl ester|Butanedioic acid, diethyl ester|Diethyl ethanedicarboxylate|diethyl succinate|Diethylester kyseliny jantarove|Diethylsuccinat|EINECS 204-612-0|Ethyl succinate|FEMA No. 2377|NSC 8875|Succinate de diethyle|SUCCINATE, DIETHYL|succinato de dietilo|Succinic acid, diethyl ester|UNII-ELP55C13DR|1253690-20-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2038732
ERPathway2016 ERPathway2016_1232 Diethyl butanedioate 123-25-1 DTXSID2038732 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)CCC(=O)OCC Diethyl butanedioate 123-25-1|Diethyl butanedioate|. Diethyl Succinate|2-Butanedioic acid diethyl ester|4-02-00-01914|BERNSTEINSAEURE-DIAETHYLESTER|BRN 0907645|Butandioic acid diethyl ester|Butanedioic acid, 1,4-diethyl ester|Butanedioic acid, diethyl ester|Diethyl ethanedicarboxylate|diethyl succinate|Diethylester kyseliny jantarove|Diethylsuccinat|EINECS 204-612-0|Ethyl succinate|FEMA No. 2377|NSC 8875|Succinate de diethyle|SUCCINATE, DIETHYL|succinato de dietilo|Succinic acid, diethyl ester|UNII-ELP55C13DR|1253690-20-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2038732
ERPathway2016 ERPathway2016_1232 Diethyl butanedioate 123-25-1 DTXSID2038732 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)CCC(=O)OCC Diethyl butanedioate 123-25-1|Diethyl butanedioate|. Diethyl Succinate|2-Butanedioic acid diethyl ester|4-02-00-01914|BERNSTEINSAEURE-DIAETHYLESTER|BRN 0907645|Butandioic acid diethyl ester|Butanedioic acid, 1,4-diethyl ester|Butanedioic acid, diethyl ester|Diethyl ethanedicarboxylate|diethyl succinate|Diethylester kyseliny jantarove|Diethylsuccinat|EINECS 204-612-0|Ethyl succinate|FEMA No. 2377|NSC 8875|Succinate de diethyle|SUCCINATE, DIETHYL|succinato de dietilo|Succinic acid, diethyl ester|UNII-ELP55C13DR|1253690-20-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2038732
ERPathway2016 ERPathway2016_1232 Diethyl butanedioate 123-25-1 DTXSID2038732 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)CCC(=O)OCC Diethyl butanedioate 123-25-1|Diethyl butanedioate|. Diethyl Succinate|2-Butanedioic acid diethyl ester|4-02-00-01914|BERNSTEINSAEURE-DIAETHYLESTER|BRN 0907645|Butandioic acid diethyl ester|Butanedioic acid, 1,4-diethyl ester|Butanedioic acid, diethyl ester|Diethyl ethanedicarboxylate|diethyl succinate|Diethylester kyseliny jantarove|Diethylsuccinat|EINECS 204-612-0|Ethyl succinate|FEMA No. 2377|NSC 8875|Succinate de diethyle|SUCCINATE, DIETHYL|succinato de dietilo|Succinic acid, diethyl ester|UNII-ELP55C13DR|1253690-20-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2038732
ARPathway2016 ARPathway2016_1536 Diethyl phosphite 762-04-9 DTXSID9041861 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCOP(O)OCC Diethyl phosphite 762-04-9|Diethyl phosphite|BRN 0605759|DIAETHYLPHOSPHIT|Diethoxyphosphine oxide|Diethyl acid phosphite|Diethyl hydrogen phosphite|diethyl phosphonate|Diethylfosfit|DIETHYLPHOSPHITE|Diethylphosphonat|EINECS 212-091-6|Ethyl phosphite, (EtO)2(HO)P|fosfonato de dietilo|Hydrogen diethyl phosphite|NSC 2665|O,O-Diethyl phosphonate|Phosphonate de diethyle|Phosphonic acid diethyl ester|Phosphonic acid, diethyl ester|UNII-U9X9YBA22W https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041861
ARPathway2016 ARPathway2016_1536 Diethyl phosphite 762-04-9 DTXSID9041861 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCOP(O)OCC Diethyl phosphite 762-04-9|Diethyl phosphite|BRN 0605759|DIAETHYLPHOSPHIT|Diethoxyphosphine oxide|Diethyl acid phosphite|Diethyl hydrogen phosphite|diethyl phosphonate|Diethylfosfit|DIETHYLPHOSPHITE|Diethylphosphonat|EINECS 212-091-6|Ethyl phosphite, (EtO)2(HO)P|fosfonato de dietilo|Hydrogen diethyl phosphite|NSC 2665|O,O-Diethyl phosphonate|Phosphonate de diethyle|Phosphonic acid diethyl ester|Phosphonic acid, diethyl ester|UNII-U9X9YBA22W https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041861
ARPathway2016 ARPathway2016_1536 Diethyl phosphite 762-04-9 DTXSID9041861 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(O)OCC Diethyl phosphite 762-04-9|Diethyl phosphite|BRN 0605759|DIAETHYLPHOSPHIT|Diethoxyphosphine oxide|Diethyl acid phosphite|Diethyl hydrogen phosphite|diethyl phosphonate|Diethylfosfit|DIETHYLPHOSPHITE|Diethylphosphonat|EINECS 212-091-6|Ethyl phosphite, (EtO)2(HO)P|fosfonato de dietilo|Hydrogen diethyl phosphite|NSC 2665|O,O-Diethyl phosphonate|Phosphonate de diethyle|Phosphonic acid diethyl ester|Phosphonic acid, diethyl ester|UNII-U9X9YBA22W https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041861
ARPathway2016 ARPathway2016_1536 Diethyl phosphite 762-04-9 DTXSID9041861 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCOP(O)OCC Diethyl phosphite 762-04-9|Diethyl phosphite|BRN 0605759|DIAETHYLPHOSPHIT|Diethoxyphosphine oxide|Diethyl acid phosphite|Diethyl hydrogen phosphite|diethyl phosphonate|Diethylfosfit|DIETHYLPHOSPHITE|Diethylphosphonat|EINECS 212-091-6|Ethyl phosphite, (EtO)2(HO)P|fosfonato de dietilo|Hydrogen diethyl phosphite|NSC 2665|O,O-Diethyl phosphonate|Phosphonate de diethyle|Phosphonic acid diethyl ester|Phosphonic acid, diethyl ester|UNII-U9X9YBA22W https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041861
ERPathway2016 ERPathway2016_1644 Diethyl phosphite 762-04-9 DTXSID9041861 ER Pathway Model, Agonist Model Score 0 Unitless CCOP(O)OCC Diethyl phosphite 762-04-9|Diethyl phosphite|BRN 0605759|DIAETHYLPHOSPHIT|Diethoxyphosphine oxide|Diethyl acid phosphite|Diethyl hydrogen phosphite|diethyl phosphonate|Diethylfosfit|DIETHYLPHOSPHITE|Diethylphosphonat|EINECS 212-091-6|Ethyl phosphite, (EtO)2(HO)P|fosfonato de dietilo|Hydrogen diethyl phosphite|NSC 2665|O,O-Diethyl phosphonate|Phosphonate de diethyle|Phosphonic acid diethyl ester|Phosphonic acid, diethyl ester|UNII-U9X9YBA22W https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041861
ERPathway2016 ERPathway2016_1644 Diethyl phosphite 762-04-9 DTXSID9041861 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(O)OCC Diethyl phosphite 762-04-9|Diethyl phosphite|BRN 0605759|DIAETHYLPHOSPHIT|Diethoxyphosphine oxide|Diethyl acid phosphite|Diethyl hydrogen phosphite|diethyl phosphonate|Diethylfosfit|DIETHYLPHOSPHITE|Diethylphosphonat|EINECS 212-091-6|Ethyl phosphite, (EtO)2(HO)P|fosfonato de dietilo|Hydrogen diethyl phosphite|NSC 2665|O,O-Diethyl phosphonate|Phosphonate de diethyle|Phosphonic acid diethyl ester|Phosphonic acid, diethyl ester|UNII-U9X9YBA22W https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041861
ERPathway2016 ERPathway2016_1644 Diethyl phosphite 762-04-9 DTXSID9041861 ER Pathway Model, Agonist Call Inactive Unitless CCOP(O)OCC Diethyl phosphite 762-04-9|Diethyl phosphite|BRN 0605759|DIAETHYLPHOSPHIT|Diethoxyphosphine oxide|Diethyl acid phosphite|Diethyl hydrogen phosphite|diethyl phosphonate|Diethylfosfit|DIETHYLPHOSPHITE|Diethylphosphonat|EINECS 212-091-6|Ethyl phosphite, (EtO)2(HO)P|fosfonato de dietilo|Hydrogen diethyl phosphite|NSC 2665|O,O-Diethyl phosphonate|Phosphonate de diethyle|Phosphonic acid diethyl ester|Phosphonic acid, diethyl ester|UNII-U9X9YBA22W https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041861
ERPathway2016 ERPathway2016_1644 Diethyl phosphite 762-04-9 DTXSID9041861 ER Pathway Model, Antagonist Call Inactive Unitless CCOP(O)OCC Diethyl phosphite 762-04-9|Diethyl phosphite|BRN 0605759|DIAETHYLPHOSPHIT|Diethoxyphosphine oxide|Diethyl acid phosphite|Diethyl hydrogen phosphite|diethyl phosphonate|Diethylfosfit|DIETHYLPHOSPHITE|Diethylphosphonat|EINECS 212-091-6|Ethyl phosphite, (EtO)2(HO)P|fosfonato de dietilo|Hydrogen diethyl phosphite|NSC 2665|O,O-Diethyl phosphonate|Phosphonate de diethyle|Phosphonic acid diethyl ester|Phosphonic acid, diethyl ester|UNII-U9X9YBA22W https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041861
ARPathway2016 ARPathway2016_1639 Diethyl phthalate 84-66-2 DTXSID7021780 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1=CC=CC=C1C(=O)OCC Diethyl phthalate 84-66-2|Diethyl phthalate|1,2-Benzenedicarboxylic acid diethyl ester|1,2-Benzenedicarboxylic acid, 1,2-diethyl ester|1,2-Benzenedicarboxylic acid, diethyl ester|1,2-Diethyl phthalate|201-550-6|4-09-00-03172|benzene-1,2-dicarboxylic acid diethyl ester|BRN 1912500|DEP|Di-n-ethyl phthalate|Diethyl 1,2-benzenedicarboxylate|diethyl benzene-1,2-dicarboxylate|Diethyl o-phenylenediacetate|Diethyl o-phthalate|Diethylester kyseliny ftalove|Diethylphthalat|EC No.: 201-550-6|EINECS 201-550-6|Ethyl phthalate|ftalato de dietilo|NCI-C60048|Neantine|NSC 8905|o-Benzenedicarboxylic acid diethyl ester|o-Bis(ethoxycarbonyl)benzene|Palatinol A|Phtalate de diethyle|PHTHALATE, DIETHYL|Phthalic acid diethyl ester|Phthalic acid, diethyl ester|Phthalol|PHTHALSAEURE-DIAETHYLESTER|Phthalsaeurediaethylester|Placidol E|RCRA waste number U088|Solvanol|UNII-UF064M00AF|Unimoll DA|1431865-87-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021780 https://doi.org/10.22427/NTP-DATA-DTXSID7021780
ARPathway2016 ARPathway2016_1639 Diethyl phthalate 84-66-2 DTXSID7021780 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1=CC=CC=C1C(=O)OCC Diethyl phthalate 84-66-2|Diethyl phthalate|1,2-Benzenedicarboxylic acid diethyl ester|1,2-Benzenedicarboxylic acid, 1,2-diethyl ester|1,2-Benzenedicarboxylic acid, diethyl ester|1,2-Diethyl phthalate|201-550-6|4-09-00-03172|benzene-1,2-dicarboxylic acid diethyl ester|BRN 1912500|DEP|Di-n-ethyl phthalate|Diethyl 1,2-benzenedicarboxylate|diethyl benzene-1,2-dicarboxylate|Diethyl o-phenylenediacetate|Diethyl o-phthalate|Diethylester kyseliny ftalove|Diethylphthalat|EC No.: 201-550-6|EINECS 201-550-6|Ethyl phthalate|ftalato de dietilo|NCI-C60048|Neantine|NSC 8905|o-Benzenedicarboxylic acid diethyl ester|o-Bis(ethoxycarbonyl)benzene|Palatinol A|Phtalate de diethyle|PHTHALATE, DIETHYL|Phthalic acid diethyl ester|Phthalic acid, diethyl ester|Phthalol|PHTHALSAEURE-DIAETHYLESTER|Phthalsaeurediaethylester|Placidol E|RCRA waste number U088|Solvanol|UNII-UF064M00AF|Unimoll DA|1431865-87-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021780 https://doi.org/10.22427/NTP-DATA-DTXSID7021780
ARPathway2016 ARPathway2016_1639 Diethyl phthalate 84-66-2 DTXSID7021780 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1=CC=CC=C1C(=O)OCC Diethyl phthalate 84-66-2|Diethyl phthalate|1,2-Benzenedicarboxylic acid diethyl ester|1,2-Benzenedicarboxylic acid, 1,2-diethyl ester|1,2-Benzenedicarboxylic acid, diethyl ester|1,2-Diethyl phthalate|201-550-6|4-09-00-03172|benzene-1,2-dicarboxylic acid diethyl ester|BRN 1912500|DEP|Di-n-ethyl phthalate|Diethyl 1,2-benzenedicarboxylate|diethyl benzene-1,2-dicarboxylate|Diethyl o-phenylenediacetate|Diethyl o-phthalate|Diethylester kyseliny ftalove|Diethylphthalat|EC No.: 201-550-6|EINECS 201-550-6|Ethyl phthalate|ftalato de dietilo|NCI-C60048|Neantine|NSC 8905|o-Benzenedicarboxylic acid diethyl ester|o-Bis(ethoxycarbonyl)benzene|Palatinol A|Phtalate de diethyle|PHTHALATE, DIETHYL|Phthalic acid diethyl ester|Phthalic acid, diethyl ester|Phthalol|PHTHALSAEURE-DIAETHYLESTER|Phthalsaeurediaethylester|Placidol E|RCRA waste number U088|Solvanol|UNII-UF064M00AF|Unimoll DA|1431865-87-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021780 https://doi.org/10.22427/NTP-DATA-DTXSID7021780
ARPathway2016 ARPathway2016_1639 Diethyl phthalate 84-66-2 DTXSID7021780 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1=CC=CC=C1C(=O)OCC Diethyl phthalate 84-66-2|Diethyl phthalate|1,2-Benzenedicarboxylic acid diethyl ester|1,2-Benzenedicarboxylic acid, 1,2-diethyl ester|1,2-Benzenedicarboxylic acid, diethyl ester|1,2-Diethyl phthalate|201-550-6|4-09-00-03172|benzene-1,2-dicarboxylic acid diethyl ester|BRN 1912500|DEP|Di-n-ethyl phthalate|Diethyl 1,2-benzenedicarboxylate|diethyl benzene-1,2-dicarboxylate|Diethyl o-phenylenediacetate|Diethyl o-phthalate|Diethylester kyseliny ftalove|Diethylphthalat|EC No.: 201-550-6|EINECS 201-550-6|Ethyl phthalate|ftalato de dietilo|NCI-C60048|Neantine|NSC 8905|o-Benzenedicarboxylic acid diethyl ester|o-Bis(ethoxycarbonyl)benzene|Palatinol A|Phtalate de diethyle|PHTHALATE, DIETHYL|Phthalic acid diethyl ester|Phthalic acid, diethyl ester|Phthalol|PHTHALSAEURE-DIAETHYLESTER|Phthalsaeurediaethylester|Placidol E|RCRA waste number U088|Solvanol|UNII-UF064M00AF|Unimoll DA|1431865-87-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021780 https://doi.org/10.22427/NTP-DATA-DTXSID7021780
ERPathway2016 ERPathway2016_1701 Diethyl phthalate 84-66-2 DTXSID7021780 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1=CC=CC=C1C(=O)OCC Diethyl phthalate 84-66-2|Diethyl phthalate|1,2-Benzenedicarboxylic acid diethyl ester|1,2-Benzenedicarboxylic acid, 1,2-diethyl ester|1,2-Benzenedicarboxylic acid, diethyl ester|1,2-Diethyl phthalate|201-550-6|4-09-00-03172|benzene-1,2-dicarboxylic acid diethyl ester|BRN 1912500|DEP|Di-n-ethyl phthalate|Diethyl 1,2-benzenedicarboxylate|diethyl benzene-1,2-dicarboxylate|Diethyl o-phenylenediacetate|Diethyl o-phthalate|Diethylester kyseliny ftalove|Diethylphthalat|EC No.: 201-550-6|EINECS 201-550-6|Ethyl phthalate|ftalato de dietilo|NCI-C60048|Neantine|NSC 8905|o-Benzenedicarboxylic acid diethyl ester|o-Bis(ethoxycarbonyl)benzene|Palatinol A|Phtalate de diethyle|PHTHALATE, DIETHYL|Phthalic acid diethyl ester|Phthalic acid, diethyl ester|Phthalol|PHTHALSAEURE-DIAETHYLESTER|Phthalsaeurediaethylester|Placidol E|RCRA waste number U088|Solvanol|UNII-UF064M00AF|Unimoll DA|1431865-87-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021780 https://doi.org/10.22427/NTP-DATA-DTXSID7021780
ERPathway2016 ERPathway2016_1701 Diethyl phthalate 84-66-2 DTXSID7021780 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1=CC=CC=C1C(=O)OCC Diethyl phthalate 84-66-2|Diethyl phthalate|1,2-Benzenedicarboxylic acid diethyl ester|1,2-Benzenedicarboxylic acid, 1,2-diethyl ester|1,2-Benzenedicarboxylic acid, diethyl ester|1,2-Diethyl phthalate|201-550-6|4-09-00-03172|benzene-1,2-dicarboxylic acid diethyl ester|BRN 1912500|DEP|Di-n-ethyl phthalate|Diethyl 1,2-benzenedicarboxylate|diethyl benzene-1,2-dicarboxylate|Diethyl o-phenylenediacetate|Diethyl o-phthalate|Diethylester kyseliny ftalove|Diethylphthalat|EC No.: 201-550-6|EINECS 201-550-6|Ethyl phthalate|ftalato de dietilo|NCI-C60048|Neantine|NSC 8905|o-Benzenedicarboxylic acid diethyl ester|o-Bis(ethoxycarbonyl)benzene|Palatinol A|Phtalate de diethyle|PHTHALATE, DIETHYL|Phthalic acid diethyl ester|Phthalic acid, diethyl ester|Phthalol|PHTHALSAEURE-DIAETHYLESTER|Phthalsaeurediaethylester|Placidol E|RCRA waste number U088|Solvanol|UNII-UF064M00AF|Unimoll DA|1431865-87-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021780 https://doi.org/10.22427/NTP-DATA-DTXSID7021780
ERPathway2016 ERPathway2016_1701 Diethyl phthalate 84-66-2 DTXSID7021780 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1=CC=CC=C1C(=O)OCC Diethyl phthalate 84-66-2|Diethyl phthalate|1,2-Benzenedicarboxylic acid diethyl ester|1,2-Benzenedicarboxylic acid, 1,2-diethyl ester|1,2-Benzenedicarboxylic acid, diethyl ester|1,2-Diethyl phthalate|201-550-6|4-09-00-03172|benzene-1,2-dicarboxylic acid diethyl ester|BRN 1912500|DEP|Di-n-ethyl phthalate|Diethyl 1,2-benzenedicarboxylate|diethyl benzene-1,2-dicarboxylate|Diethyl o-phenylenediacetate|Diethyl o-phthalate|Diethylester kyseliny ftalove|Diethylphthalat|EC No.: 201-550-6|EINECS 201-550-6|Ethyl phthalate|ftalato de dietilo|NCI-C60048|Neantine|NSC 8905|o-Benzenedicarboxylic acid diethyl ester|o-Bis(ethoxycarbonyl)benzene|Palatinol A|Phtalate de diethyle|PHTHALATE, DIETHYL|Phthalic acid diethyl ester|Phthalic acid, diethyl ester|Phthalol|PHTHALSAEURE-DIAETHYLESTER|Phthalsaeurediaethylester|Placidol E|RCRA waste number U088|Solvanol|UNII-UF064M00AF|Unimoll DA|1431865-87-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021780 https://doi.org/10.22427/NTP-DATA-DTXSID7021780
ERPathway2016 ERPathway2016_1701 Diethyl phthalate 84-66-2 DTXSID7021780 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1=CC=CC=C1C(=O)OCC Diethyl phthalate 84-66-2|Diethyl phthalate|1,2-Benzenedicarboxylic acid diethyl ester|1,2-Benzenedicarboxylic acid, 1,2-diethyl ester|1,2-Benzenedicarboxylic acid, diethyl ester|1,2-Diethyl phthalate|201-550-6|4-09-00-03172|benzene-1,2-dicarboxylic acid diethyl ester|BRN 1912500|DEP|Di-n-ethyl phthalate|Diethyl 1,2-benzenedicarboxylate|diethyl benzene-1,2-dicarboxylate|Diethyl o-phenylenediacetate|Diethyl o-phthalate|Diethylester kyseliny ftalove|Diethylphthalat|EC No.: 201-550-6|EINECS 201-550-6|Ethyl phthalate|ftalato de dietilo|NCI-C60048|Neantine|NSC 8905|o-Benzenedicarboxylic acid diethyl ester|o-Bis(ethoxycarbonyl)benzene|Palatinol A|Phtalate de diethyle|PHTHALATE, DIETHYL|Phthalic acid diethyl ester|Phthalic acid, diethyl ester|Phthalol|PHTHALSAEURE-DIAETHYLESTER|Phthalsaeurediaethylester|Placidol E|RCRA waste number U088|Solvanol|UNII-UF064M00AF|Unimoll DA|1431865-87-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021780 https://doi.org/10.22427/NTP-DATA-DTXSID7021780
ARPathway2016 ARPathway2016_457 Diethyl propanedioate 105-53-3 DTXSID7021863 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)CC(=O)OCC Diethyl propanedioate 105-53-3|Diethyl propanedioate|Carbethoxyacetic ester|Dicarbethoxymethane|Diethyl malonate|Diethyl propane-1,3-dioate|Diethylmalonat|EINECS 203-305-9|Ethyl malonate|Ethyl methanedicarboxylate|Ethyl propanedioate|FEMA No. 2375|Malonate de diethyle|Malonate diethyl ester|MALONATE, DIETHYL|malonato de dietilo|Malonic acid, diethyl ester|Malonic ester|MALONSAEURE-DIAETHYLESTER|Methanedicarboxylic acid diethyl ester|Methanedicarboxylic acid, diethyl ester|NSC 136903|NSC 8864|PROPANEDIOATE, DIETHYL|Propanedioic acid diethyl ester|Propanedioic acid, 1,3-diethyl ester|propanedioic acid, diethyl ester|UNII-53A58PA183|145601-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021863
ARPathway2016 ARPathway2016_457 Diethyl propanedioate 105-53-3 DTXSID7021863 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)CC(=O)OCC Diethyl propanedioate 105-53-3|Diethyl propanedioate|Carbethoxyacetic ester|Dicarbethoxymethane|Diethyl malonate|Diethyl propane-1,3-dioate|Diethylmalonat|EINECS 203-305-9|Ethyl malonate|Ethyl methanedicarboxylate|Ethyl propanedioate|FEMA No. 2375|Malonate de diethyle|Malonate diethyl ester|MALONATE, DIETHYL|malonato de dietilo|Malonic acid, diethyl ester|Malonic ester|MALONSAEURE-DIAETHYLESTER|Methanedicarboxylic acid diethyl ester|Methanedicarboxylic acid, diethyl ester|NSC 136903|NSC 8864|PROPANEDIOATE, DIETHYL|Propanedioic acid diethyl ester|Propanedioic acid, 1,3-diethyl ester|propanedioic acid, diethyl ester|UNII-53A58PA183|145601-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021863
ARPathway2016 ARPathway2016_457 Diethyl propanedioate 105-53-3 DTXSID7021863 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)CC(=O)OCC Diethyl propanedioate 105-53-3|Diethyl propanedioate|Carbethoxyacetic ester|Dicarbethoxymethane|Diethyl malonate|Diethyl propane-1,3-dioate|Diethylmalonat|EINECS 203-305-9|Ethyl malonate|Ethyl methanedicarboxylate|Ethyl propanedioate|FEMA No. 2375|Malonate de diethyle|Malonate diethyl ester|MALONATE, DIETHYL|malonato de dietilo|Malonic acid, diethyl ester|Malonic ester|MALONSAEURE-DIAETHYLESTER|Methanedicarboxylic acid diethyl ester|Methanedicarboxylic acid, diethyl ester|NSC 136903|NSC 8864|PROPANEDIOATE, DIETHYL|Propanedioic acid diethyl ester|Propanedioic acid, 1,3-diethyl ester|propanedioic acid, diethyl ester|UNII-53A58PA183|145601-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021863
ARPathway2016 ARPathway2016_457 Diethyl propanedioate 105-53-3 DTXSID7021863 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)CC(=O)OCC Diethyl propanedioate 105-53-3|Diethyl propanedioate|Carbethoxyacetic ester|Dicarbethoxymethane|Diethyl malonate|Diethyl propane-1,3-dioate|Diethylmalonat|EINECS 203-305-9|Ethyl malonate|Ethyl methanedicarboxylate|Ethyl propanedioate|FEMA No. 2375|Malonate de diethyle|Malonate diethyl ester|MALONATE, DIETHYL|malonato de dietilo|Malonic acid, diethyl ester|Malonic ester|MALONSAEURE-DIAETHYLESTER|Methanedicarboxylic acid diethyl ester|Methanedicarboxylic acid, diethyl ester|NSC 136903|NSC 8864|PROPANEDIOATE, DIETHYL|Propanedioic acid diethyl ester|Propanedioic acid, 1,3-diethyl ester|propanedioic acid, diethyl ester|UNII-53A58PA183|145601-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021863
ERPathway2016 ERPathway2016_454 Diethyl propanedioate 105-53-3 DTXSID7021863 ER Pathway Model, Antagonist AC50 63.2737783355979 uM CCOC(=O)CC(=O)OCC Diethyl propanedioate 105-53-3|Diethyl propanedioate|Carbethoxyacetic ester|Dicarbethoxymethane|Diethyl malonate|Diethyl propane-1,3-dioate|Diethylmalonat|EINECS 203-305-9|Ethyl malonate|Ethyl methanedicarboxylate|Ethyl propanedioate|FEMA No. 2375|Malonate de diethyle|Malonate diethyl ester|MALONATE, DIETHYL|malonato de dietilo|Malonic acid, diethyl ester|Malonic ester|MALONSAEURE-DIAETHYLESTER|Methanedicarboxylic acid diethyl ester|Methanedicarboxylic acid, diethyl ester|NSC 136903|NSC 8864|PROPANEDIOATE, DIETHYL|Propanedioic acid diethyl ester|Propanedioic acid, 1,3-diethyl ester|propanedioic acid, diethyl ester|UNII-53A58PA183|145601-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021863
ERPathway2016 ERPathway2016_454 Diethyl propanedioate 105-53-3 DTXSID7021863 ER Pathway Model, Antagonist ACC 58.1780661624925 uM CCOC(=O)CC(=O)OCC Diethyl propanedioate 105-53-3|Diethyl propanedioate|Carbethoxyacetic ester|Dicarbethoxymethane|Diethyl malonate|Diethyl propane-1,3-dioate|Diethylmalonat|EINECS 203-305-9|Ethyl malonate|Ethyl methanedicarboxylate|Ethyl propanedioate|FEMA No. 2375|Malonate de diethyle|Malonate diethyl ester|MALONATE, DIETHYL|malonato de dietilo|Malonic acid, diethyl ester|Malonic ester|MALONSAEURE-DIAETHYLESTER|Methanedicarboxylic acid diethyl ester|Methanedicarboxylic acid, diethyl ester|NSC 136903|NSC 8864|PROPANEDIOATE, DIETHYL|Propanedioic acid diethyl ester|Propanedioic acid, 1,3-diethyl ester|propanedioic acid, diethyl ester|UNII-53A58PA183|145601-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021863
ERPathway2016 ERPathway2016_454 Diethyl propanedioate 105-53-3 DTXSID7021863 ER Pathway Model, Agonist Model Score 0.00416 Unitless CCOC(=O)CC(=O)OCC Diethyl propanedioate 105-53-3|Diethyl propanedioate|Carbethoxyacetic ester|Dicarbethoxymethane|Diethyl malonate|Diethyl propane-1,3-dioate|Diethylmalonat|EINECS 203-305-9|Ethyl malonate|Ethyl methanedicarboxylate|Ethyl propanedioate|FEMA No. 2375|Malonate de diethyle|Malonate diethyl ester|MALONATE, DIETHYL|malonato de dietilo|Malonic acid, diethyl ester|Malonic ester|MALONSAEURE-DIAETHYLESTER|Methanedicarboxylic acid diethyl ester|Methanedicarboxylic acid, diethyl ester|NSC 136903|NSC 8864|PROPANEDIOATE, DIETHYL|Propanedioic acid diethyl ester|Propanedioic acid, 1,3-diethyl ester|propanedioic acid, diethyl ester|UNII-53A58PA183|145601-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021863
ERPathway2016 ERPathway2016_454 Diethyl propanedioate 105-53-3 DTXSID7021863 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)CC(=O)OCC Diethyl propanedioate 105-53-3|Diethyl propanedioate|Carbethoxyacetic ester|Dicarbethoxymethane|Diethyl malonate|Diethyl propane-1,3-dioate|Diethylmalonat|EINECS 203-305-9|Ethyl malonate|Ethyl methanedicarboxylate|Ethyl propanedioate|FEMA No. 2375|Malonate de diethyle|Malonate diethyl ester|MALONATE, DIETHYL|malonato de dietilo|Malonic acid, diethyl ester|Malonic ester|MALONSAEURE-DIAETHYLESTER|Methanedicarboxylic acid diethyl ester|Methanedicarboxylic acid, diethyl ester|NSC 136903|NSC 8864|PROPANEDIOATE, DIETHYL|Propanedioic acid diethyl ester|Propanedioic acid, 1,3-diethyl ester|propanedioic acid, diethyl ester|UNII-53A58PA183|145601-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021863
ERPathway2016 ERPathway2016_454 Diethyl propanedioate 105-53-3 DTXSID7021863 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)CC(=O)OCC Diethyl propanedioate 105-53-3|Diethyl propanedioate|Carbethoxyacetic ester|Dicarbethoxymethane|Diethyl malonate|Diethyl propane-1,3-dioate|Diethylmalonat|EINECS 203-305-9|Ethyl malonate|Ethyl methanedicarboxylate|Ethyl propanedioate|FEMA No. 2375|Malonate de diethyle|Malonate diethyl ester|MALONATE, DIETHYL|malonato de dietilo|Malonic acid, diethyl ester|Malonic ester|MALONSAEURE-DIAETHYLESTER|Methanedicarboxylic acid diethyl ester|Methanedicarboxylic acid, diethyl ester|NSC 136903|NSC 8864|PROPANEDIOATE, DIETHYL|Propanedioic acid diethyl ester|Propanedioic acid, 1,3-diethyl ester|propanedioic acid, diethyl ester|UNII-53A58PA183|145601-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021863
ERPathway2016 ERPathway2016_454 Diethyl propanedioate 105-53-3 DTXSID7021863 ER Pathway Model, Antagonist Call Active Unitless CCOC(=O)CC(=O)OCC Diethyl propanedioate 105-53-3|Diethyl propanedioate|Carbethoxyacetic ester|Dicarbethoxymethane|Diethyl malonate|Diethyl propane-1,3-dioate|Diethylmalonat|EINECS 203-305-9|Ethyl malonate|Ethyl methanedicarboxylate|Ethyl propanedioate|FEMA No. 2375|Malonate de diethyle|Malonate diethyl ester|MALONATE, DIETHYL|malonato de dietilo|Malonic acid, diethyl ester|Malonic ester|MALONSAEURE-DIAETHYLESTER|Methanedicarboxylic acid diethyl ester|Methanedicarboxylic acid, diethyl ester|NSC 136903|NSC 8864|PROPANEDIOATE, DIETHYL|Propanedioic acid diethyl ester|Propanedioic acid, 1,3-diethyl ester|propanedioic acid, diethyl ester|UNII-53A58PA183|145601-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021863
ARPathway2016 ARPathway2016_569 Diethylene glycol 111-46-6 DTXSID8020462 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCCOCCO Diethylene glycol 111-46-6|Diethylene glycol|1,5-Dihydroxy-3-oxapentane|2-(2-Hydroxyethoxy)ethanol|2-Hydroxyethoxyethanol|2-Hydroxyethyl ether|2,2'-0xydiethanol|2,2'-dihydroxydiethyl ether|2,2'-Dihydroxyethyl ether|2,2'-oxidietanol|2,2'-OXYBIS-ETHANOL|2,2'-Oxybis[ethanol]|2,2'-Oxybisethanol|2,2'-Oxydiethanol|2,2'-OXYDIETHANOL, DIGLYCOL|2,2'-Oxyethanol|3-Oxapentamethylene-1,5-diol|3-Oxapentane-1,5-diol|4-01-00-02390|beta,beta'-dihydroxydiethyl ether|Bis(2-hydroxyethyl) ether|Bis(beta-hydroxyethyl) ether|Bis(b-hydroxyethyl) ether|Brecolane NDG|BRN 0969209|Caswell No. 338A|Deactivator E|DIAETHYLENGLYKOL|Diethylenglykol|Digenos|Diglycol|DIHYDROXYDIETHYL ETHER|Dissolvant APV|EINECS 203-872-2|EPA Pesticide Chemical Code 338200|Ethanol, 2,2'-oxybis|Ethanol, 2,2'-oxybis-|Ethanol, 2,2'-oxydi-|Ethanol,2,2'-oxybis-|Ethylene diglycol|Glycol ether|Glycol ethyl ether|NSC 36391|UNII-61BR964293|b,b'-Dihydroxydiethyl ether|2126734-27-6|4669-26-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020462 https://doi.org/10.22427/NTP-DATA-DTXSID8020462
ARPathway2016 ARPathway2016_569 Diethylene glycol 111-46-6 DTXSID8020462 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCCOCCO Diethylene glycol 111-46-6|Diethylene glycol|1,5-Dihydroxy-3-oxapentane|2-(2-Hydroxyethoxy)ethanol|2-Hydroxyethoxyethanol|2-Hydroxyethyl ether|2,2'-0xydiethanol|2,2'-dihydroxydiethyl ether|2,2'-Dihydroxyethyl ether|2,2'-oxidietanol|2,2'-OXYBIS-ETHANOL|2,2'-Oxybis[ethanol]|2,2'-Oxybisethanol|2,2'-Oxydiethanol|2,2'-OXYDIETHANOL, DIGLYCOL|2,2'-Oxyethanol|3-Oxapentamethylene-1,5-diol|3-Oxapentane-1,5-diol|4-01-00-02390|beta,beta'-dihydroxydiethyl ether|Bis(2-hydroxyethyl) ether|Bis(beta-hydroxyethyl) ether|Bis(b-hydroxyethyl) ether|Brecolane NDG|BRN 0969209|Caswell No. 338A|Deactivator E|DIAETHYLENGLYKOL|Diethylenglykol|Digenos|Diglycol|DIHYDROXYDIETHYL ETHER|Dissolvant APV|EINECS 203-872-2|EPA Pesticide Chemical Code 338200|Ethanol, 2,2'-oxybis|Ethanol, 2,2'-oxybis-|Ethanol, 2,2'-oxydi-|Ethanol,2,2'-oxybis-|Ethylene diglycol|Glycol ether|Glycol ethyl ether|NSC 36391|UNII-61BR964293|b,b'-Dihydroxydiethyl ether|2126734-27-6|4669-26-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020462 https://doi.org/10.22427/NTP-DATA-DTXSID8020462
ARPathway2016 ARPathway2016_569 Diethylene glycol 111-46-6 DTXSID8020462 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCCOCCO Diethylene glycol 111-46-6|Diethylene glycol|1,5-Dihydroxy-3-oxapentane|2-(2-Hydroxyethoxy)ethanol|2-Hydroxyethoxyethanol|2-Hydroxyethyl ether|2,2'-0xydiethanol|2,2'-dihydroxydiethyl ether|2,2'-Dihydroxyethyl ether|2,2'-oxidietanol|2,2'-OXYBIS-ETHANOL|2,2'-Oxybis[ethanol]|2,2'-Oxybisethanol|2,2'-Oxydiethanol|2,2'-OXYDIETHANOL, DIGLYCOL|2,2'-Oxyethanol|3-Oxapentamethylene-1,5-diol|3-Oxapentane-1,5-diol|4-01-00-02390|beta,beta'-dihydroxydiethyl ether|Bis(2-hydroxyethyl) ether|Bis(beta-hydroxyethyl) ether|Bis(b-hydroxyethyl) ether|Brecolane NDG|BRN 0969209|Caswell No. 338A|Deactivator E|DIAETHYLENGLYKOL|Diethylenglykol|Digenos|Diglycol|DIHYDROXYDIETHYL ETHER|Dissolvant APV|EINECS 203-872-2|EPA Pesticide Chemical Code 338200|Ethanol, 2,2'-oxybis|Ethanol, 2,2'-oxybis-|Ethanol, 2,2'-oxydi-|Ethanol,2,2'-oxybis-|Ethylene diglycol|Glycol ether|Glycol ethyl ether|NSC 36391|UNII-61BR964293|b,b'-Dihydroxydiethyl ether|2126734-27-6|4669-26-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020462 https://doi.org/10.22427/NTP-DATA-DTXSID8020462
ARPathway2016 ARPathway2016_569 Diethylene glycol 111-46-6 DTXSID8020462 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCCOCCO Diethylene glycol 111-46-6|Diethylene glycol|1,5-Dihydroxy-3-oxapentane|2-(2-Hydroxyethoxy)ethanol|2-Hydroxyethoxyethanol|2-Hydroxyethyl ether|2,2'-0xydiethanol|2,2'-dihydroxydiethyl ether|2,2'-Dihydroxyethyl ether|2,2'-oxidietanol|2,2'-OXYBIS-ETHANOL|2,2'-Oxybis[ethanol]|2,2'-Oxybisethanol|2,2'-Oxydiethanol|2,2'-OXYDIETHANOL, DIGLYCOL|2,2'-Oxyethanol|3-Oxapentamethylene-1,5-diol|3-Oxapentane-1,5-diol|4-01-00-02390|beta,beta'-dihydroxydiethyl ether|Bis(2-hydroxyethyl) ether|Bis(beta-hydroxyethyl) ether|Bis(b-hydroxyethyl) ether|Brecolane NDG|BRN 0969209|Caswell No. 338A|Deactivator E|DIAETHYLENGLYKOL|Diethylenglykol|Digenos|Diglycol|DIHYDROXYDIETHYL ETHER|Dissolvant APV|EINECS 203-872-2|EPA Pesticide Chemical Code 338200|Ethanol, 2,2'-oxybis|Ethanol, 2,2'-oxybis-|Ethanol, 2,2'-oxydi-|Ethanol,2,2'-oxybis-|Ethylene diglycol|Glycol ether|Glycol ethyl ether|NSC 36391|UNII-61BR964293|b,b'-Dihydroxydiethyl ether|2126734-27-6|4669-26-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020462 https://doi.org/10.22427/NTP-DATA-DTXSID8020462
ERPathway2016 ERPathway2016_1151 Diethylene glycol 111-46-6 DTXSID8020462 ER Pathway Model, Agonist Model Score 0 Unitless OCCOCCO Diethylene glycol 111-46-6|Diethylene glycol|1,5-Dihydroxy-3-oxapentane|2-(2-Hydroxyethoxy)ethanol|2-Hydroxyethoxyethanol|2-Hydroxyethyl ether|2,2'-0xydiethanol|2,2'-dihydroxydiethyl ether|2,2'-Dihydroxyethyl ether|2,2'-oxidietanol|2,2'-OXYBIS-ETHANOL|2,2'-Oxybis[ethanol]|2,2'-Oxybisethanol|2,2'-Oxydiethanol|2,2'-OXYDIETHANOL, DIGLYCOL|2,2'-Oxyethanol|3-Oxapentamethylene-1,5-diol|3-Oxapentane-1,5-diol|4-01-00-02390|beta,beta'-dihydroxydiethyl ether|Bis(2-hydroxyethyl) ether|Bis(beta-hydroxyethyl) ether|Bis(b-hydroxyethyl) ether|Brecolane NDG|BRN 0969209|Caswell No. 338A|Deactivator E|DIAETHYLENGLYKOL|Diethylenglykol|Digenos|Diglycol|DIHYDROXYDIETHYL ETHER|Dissolvant APV|EINECS 203-872-2|EPA Pesticide Chemical Code 338200|Ethanol, 2,2'-oxybis|Ethanol, 2,2'-oxybis-|Ethanol, 2,2'-oxydi-|Ethanol,2,2'-oxybis-|Ethylene diglycol|Glycol ether|Glycol ethyl ether|NSC 36391|UNII-61BR964293|b,b'-Dihydroxydiethyl ether|2126734-27-6|4669-26-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020462 https://doi.org/10.22427/NTP-DATA-DTXSID8020462
ERPathway2016 ERPathway2016_1151 Diethylene glycol 111-46-6 DTXSID8020462 ER Pathway Model, Antagonist Model Score 0 Unitless OCCOCCO Diethylene glycol 111-46-6|Diethylene glycol|1,5-Dihydroxy-3-oxapentane|2-(2-Hydroxyethoxy)ethanol|2-Hydroxyethoxyethanol|2-Hydroxyethyl ether|2,2'-0xydiethanol|2,2'-dihydroxydiethyl ether|2,2'-Dihydroxyethyl ether|2,2'-oxidietanol|2,2'-OXYBIS-ETHANOL|2,2'-Oxybis[ethanol]|2,2'-Oxybisethanol|2,2'-Oxydiethanol|2,2'-OXYDIETHANOL, DIGLYCOL|2,2'-Oxyethanol|3-Oxapentamethylene-1,5-diol|3-Oxapentane-1,5-diol|4-01-00-02390|beta,beta'-dihydroxydiethyl ether|Bis(2-hydroxyethyl) ether|Bis(beta-hydroxyethyl) ether|Bis(b-hydroxyethyl) ether|Brecolane NDG|BRN 0969209|Caswell No. 338A|Deactivator E|DIAETHYLENGLYKOL|Diethylenglykol|Digenos|Diglycol|DIHYDROXYDIETHYL ETHER|Dissolvant APV|EINECS 203-872-2|EPA Pesticide Chemical Code 338200|Ethanol, 2,2'-oxybis|Ethanol, 2,2'-oxybis-|Ethanol, 2,2'-oxydi-|Ethanol,2,2'-oxybis-|Ethylene diglycol|Glycol ether|Glycol ethyl ether|NSC 36391|UNII-61BR964293|b,b'-Dihydroxydiethyl ether|2126734-27-6|4669-26-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020462 https://doi.org/10.22427/NTP-DATA-DTXSID8020462
ERPathway2016 ERPathway2016_1151 Diethylene glycol 111-46-6 DTXSID8020462 ER Pathway Model, Agonist Call Inactive Unitless OCCOCCO Diethylene glycol 111-46-6|Diethylene glycol|1,5-Dihydroxy-3-oxapentane|2-(2-Hydroxyethoxy)ethanol|2-Hydroxyethoxyethanol|2-Hydroxyethyl ether|2,2'-0xydiethanol|2,2'-dihydroxydiethyl ether|2,2'-Dihydroxyethyl ether|2,2'-oxidietanol|2,2'-OXYBIS-ETHANOL|2,2'-Oxybis[ethanol]|2,2'-Oxybisethanol|2,2'-Oxydiethanol|2,2'-OXYDIETHANOL, DIGLYCOL|2,2'-Oxyethanol|3-Oxapentamethylene-1,5-diol|3-Oxapentane-1,5-diol|4-01-00-02390|beta,beta'-dihydroxydiethyl ether|Bis(2-hydroxyethyl) ether|Bis(beta-hydroxyethyl) ether|Bis(b-hydroxyethyl) ether|Brecolane NDG|BRN 0969209|Caswell No. 338A|Deactivator E|DIAETHYLENGLYKOL|Diethylenglykol|Digenos|Diglycol|DIHYDROXYDIETHYL ETHER|Dissolvant APV|EINECS 203-872-2|EPA Pesticide Chemical Code 338200|Ethanol, 2,2'-oxybis|Ethanol, 2,2'-oxybis-|Ethanol, 2,2'-oxydi-|Ethanol,2,2'-oxybis-|Ethylene diglycol|Glycol ether|Glycol ethyl ether|NSC 36391|UNII-61BR964293|b,b'-Dihydroxydiethyl ether|2126734-27-6|4669-26-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020462 https://doi.org/10.22427/NTP-DATA-DTXSID8020462
ERPathway2016 ERPathway2016_1151 Diethylene glycol 111-46-6 DTXSID8020462 ER Pathway Model, Antagonist Call Inactive Unitless OCCOCCO Diethylene glycol 111-46-6|Diethylene glycol|1,5-Dihydroxy-3-oxapentane|2-(2-Hydroxyethoxy)ethanol|2-Hydroxyethoxyethanol|2-Hydroxyethyl ether|2,2'-0xydiethanol|2,2'-dihydroxydiethyl ether|2,2'-Dihydroxyethyl ether|2,2'-oxidietanol|2,2'-OXYBIS-ETHANOL|2,2'-Oxybis[ethanol]|2,2'-Oxybisethanol|2,2'-Oxydiethanol|2,2'-OXYDIETHANOL, DIGLYCOL|2,2'-Oxyethanol|3-Oxapentamethylene-1,5-diol|3-Oxapentane-1,5-diol|4-01-00-02390|beta,beta'-dihydroxydiethyl ether|Bis(2-hydroxyethyl) ether|Bis(beta-hydroxyethyl) ether|Bis(b-hydroxyethyl) ether|Brecolane NDG|BRN 0969209|Caswell No. 338A|Deactivator E|DIAETHYLENGLYKOL|Diethylenglykol|Digenos|Diglycol|DIHYDROXYDIETHYL ETHER|Dissolvant APV|EINECS 203-872-2|EPA Pesticide Chemical Code 338200|Ethanol, 2,2'-oxybis|Ethanol, 2,2'-oxybis-|Ethanol, 2,2'-oxydi-|Ethanol,2,2'-oxybis-|Ethylene diglycol|Glycol ether|Glycol ethyl ether|NSC 36391|UNII-61BR964293|b,b'-Dihydroxydiethyl ether|2126734-27-6|4669-26-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020462 https://doi.org/10.22427/NTP-DATA-DTXSID8020462
ARPathway2016 ARPathway2016_671 Diethylene glycol dibenzoate 120-55-8 DTXSID0026967 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Diethylene glycol dibenzoate 120-55-8|Diethylene glycol dibenzoate|2-[2-(Benzoyloxy)ethoxy]ethyl benzoate|2,2'-Oxybisethanol dibenzoate|4-09-00-00356|Benzo Flex 2-45|Benzoflex 2-42|Benzoflex 2-45|Benzoflex S 45|Benzoic acid, diester with diethylene glycol|Benzoyloxyethoxyethyl benzoate|BRN 2509507|Di-O-benzoyldiethylene glycol|DIAETHYLENGLYKOL-DIBENZOAT|DIBENZOATE & 2,2-OXYBIS-ETHANOL|Dibenzoate d'oxydiethylene|dibenzoato de oxidietileno|Dibenzoyldiethyleneglycol ester|Diethylene benzyl benzoate|Diethylene glycol, dibenzoate|EINECS 204-407-6|Ethanol, 2,2'-oxybis-, 1,1'-dibenzoate|Ethanol, 2,2'-oxybis-, dibenzoate|K-Flex DE|Monocizer PB 3|Oxydiethylendibenzoat|oxydiethylene dibenzoate|UNII-YAI66YDY1C|Velsicol 2-45|773104-50-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026967
ARPathway2016 ARPathway2016_671 Diethylene glycol dibenzoate 120-55-8 DTXSID0026967 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Diethylene glycol dibenzoate 120-55-8|Diethylene glycol dibenzoate|2-[2-(Benzoyloxy)ethoxy]ethyl benzoate|2,2'-Oxybisethanol dibenzoate|4-09-00-00356|Benzo Flex 2-45|Benzoflex 2-42|Benzoflex 2-45|Benzoflex S 45|Benzoic acid, diester with diethylene glycol|Benzoyloxyethoxyethyl benzoate|BRN 2509507|Di-O-benzoyldiethylene glycol|DIAETHYLENGLYKOL-DIBENZOAT|DIBENZOATE & 2,2-OXYBIS-ETHANOL|Dibenzoate d'oxydiethylene|dibenzoato de oxidietileno|Dibenzoyldiethyleneglycol ester|Diethylene benzyl benzoate|Diethylene glycol, dibenzoate|EINECS 204-407-6|Ethanol, 2,2'-oxybis-, 1,1'-dibenzoate|Ethanol, 2,2'-oxybis-, dibenzoate|K-Flex DE|Monocizer PB 3|Oxydiethylendibenzoat|oxydiethylene dibenzoate|UNII-YAI66YDY1C|Velsicol 2-45|773104-50-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026967
ARPathway2016 ARPathway2016_671 Diethylene glycol dibenzoate 120-55-8 DTXSID0026967 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Diethylene glycol dibenzoate 120-55-8|Diethylene glycol dibenzoate|2-[2-(Benzoyloxy)ethoxy]ethyl benzoate|2,2'-Oxybisethanol dibenzoate|4-09-00-00356|Benzo Flex 2-45|Benzoflex 2-42|Benzoflex 2-45|Benzoflex S 45|Benzoic acid, diester with diethylene glycol|Benzoyloxyethoxyethyl benzoate|BRN 2509507|Di-O-benzoyldiethylene glycol|DIAETHYLENGLYKOL-DIBENZOAT|DIBENZOATE & 2,2-OXYBIS-ETHANOL|Dibenzoate d'oxydiethylene|dibenzoato de oxidietileno|Dibenzoyldiethyleneglycol ester|Diethylene benzyl benzoate|Diethylene glycol, dibenzoate|EINECS 204-407-6|Ethanol, 2,2'-oxybis-, 1,1'-dibenzoate|Ethanol, 2,2'-oxybis-, dibenzoate|K-Flex DE|Monocizer PB 3|Oxydiethylendibenzoat|oxydiethylene dibenzoate|UNII-YAI66YDY1C|Velsicol 2-45|773104-50-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026967
ARPathway2016 ARPathway2016_671 Diethylene glycol dibenzoate 120-55-8 DTXSID0026967 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Diethylene glycol dibenzoate 120-55-8|Diethylene glycol dibenzoate|2-[2-(Benzoyloxy)ethoxy]ethyl benzoate|2,2'-Oxybisethanol dibenzoate|4-09-00-00356|Benzo Flex 2-45|Benzoflex 2-42|Benzoflex 2-45|Benzoflex S 45|Benzoic acid, diester with diethylene glycol|Benzoyloxyethoxyethyl benzoate|BRN 2509507|Di-O-benzoyldiethylene glycol|DIAETHYLENGLYKOL-DIBENZOAT|DIBENZOATE & 2,2-OXYBIS-ETHANOL|Dibenzoate d'oxydiethylene|dibenzoato de oxidietileno|Dibenzoyldiethyleneglycol ester|Diethylene benzyl benzoate|Diethylene glycol, dibenzoate|EINECS 204-407-6|Ethanol, 2,2'-oxybis-, 1,1'-dibenzoate|Ethanol, 2,2'-oxybis-, dibenzoate|K-Flex DE|Monocizer PB 3|Oxydiethylendibenzoat|oxydiethylene dibenzoate|UNII-YAI66YDY1C|Velsicol 2-45|773104-50-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026967
ERPathway2016 ERPathway2016_1209 Diethylene glycol dibenzoate 120-55-8 DTXSID0026967 ER Pathway Model, Agonist Model Score 0 Unitless O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Diethylene glycol dibenzoate 120-55-8|Diethylene glycol dibenzoate|2-[2-(Benzoyloxy)ethoxy]ethyl benzoate|2,2'-Oxybisethanol dibenzoate|4-09-00-00356|Benzo Flex 2-45|Benzoflex 2-42|Benzoflex 2-45|Benzoflex S 45|Benzoic acid, diester with diethylene glycol|Benzoyloxyethoxyethyl benzoate|BRN 2509507|Di-O-benzoyldiethylene glycol|DIAETHYLENGLYKOL-DIBENZOAT|DIBENZOATE & 2,2-OXYBIS-ETHANOL|Dibenzoate d'oxydiethylene|dibenzoato de oxidietileno|Dibenzoyldiethyleneglycol ester|Diethylene benzyl benzoate|Diethylene glycol, dibenzoate|EINECS 204-407-6|Ethanol, 2,2'-oxybis-, 1,1'-dibenzoate|Ethanol, 2,2'-oxybis-, dibenzoate|K-Flex DE|Monocizer PB 3|Oxydiethylendibenzoat|oxydiethylene dibenzoate|UNII-YAI66YDY1C|Velsicol 2-45|773104-50-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026967
ERPathway2016 ERPathway2016_1209 Diethylene glycol dibenzoate 120-55-8 DTXSID0026967 ER Pathway Model, Antagonist Model Score 0 Unitless O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Diethylene glycol dibenzoate 120-55-8|Diethylene glycol dibenzoate|2-[2-(Benzoyloxy)ethoxy]ethyl benzoate|2,2'-Oxybisethanol dibenzoate|4-09-00-00356|Benzo Flex 2-45|Benzoflex 2-42|Benzoflex 2-45|Benzoflex S 45|Benzoic acid, diester with diethylene glycol|Benzoyloxyethoxyethyl benzoate|BRN 2509507|Di-O-benzoyldiethylene glycol|DIAETHYLENGLYKOL-DIBENZOAT|DIBENZOATE & 2,2-OXYBIS-ETHANOL|Dibenzoate d'oxydiethylene|dibenzoato de oxidietileno|Dibenzoyldiethyleneglycol ester|Diethylene benzyl benzoate|Diethylene glycol, dibenzoate|EINECS 204-407-6|Ethanol, 2,2'-oxybis-, 1,1'-dibenzoate|Ethanol, 2,2'-oxybis-, dibenzoate|K-Flex DE|Monocizer PB 3|Oxydiethylendibenzoat|oxydiethylene dibenzoate|UNII-YAI66YDY1C|Velsicol 2-45|773104-50-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026967
ERPathway2016 ERPathway2016_1209 Diethylene glycol dibenzoate 120-55-8 DTXSID0026967 ER Pathway Model, Agonist Call Inactive Unitless O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Diethylene glycol dibenzoate 120-55-8|Diethylene glycol dibenzoate|2-[2-(Benzoyloxy)ethoxy]ethyl benzoate|2,2'-Oxybisethanol dibenzoate|4-09-00-00356|Benzo Flex 2-45|Benzoflex 2-42|Benzoflex 2-45|Benzoflex S 45|Benzoic acid, diester with diethylene glycol|Benzoyloxyethoxyethyl benzoate|BRN 2509507|Di-O-benzoyldiethylene glycol|DIAETHYLENGLYKOL-DIBENZOAT|DIBENZOATE & 2,2-OXYBIS-ETHANOL|Dibenzoate d'oxydiethylene|dibenzoato de oxidietileno|Dibenzoyldiethyleneglycol ester|Diethylene benzyl benzoate|Diethylene glycol, dibenzoate|EINECS 204-407-6|Ethanol, 2,2'-oxybis-, 1,1'-dibenzoate|Ethanol, 2,2'-oxybis-, dibenzoate|K-Flex DE|Monocizer PB 3|Oxydiethylendibenzoat|oxydiethylene dibenzoate|UNII-YAI66YDY1C|Velsicol 2-45|773104-50-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026967
ERPathway2016 ERPathway2016_1209 Diethylene glycol dibenzoate 120-55-8 DTXSID0026967 ER Pathway Model, Antagonist Call Inactive Unitless O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Diethylene glycol dibenzoate 120-55-8|Diethylene glycol dibenzoate|2-[2-(Benzoyloxy)ethoxy]ethyl benzoate|2,2'-Oxybisethanol dibenzoate|4-09-00-00356|Benzo Flex 2-45|Benzoflex 2-42|Benzoflex 2-45|Benzoflex S 45|Benzoic acid, diester with diethylene glycol|Benzoyloxyethoxyethyl benzoate|BRN 2509507|Di-O-benzoyldiethylene glycol|DIAETHYLENGLYKOL-DIBENZOAT|DIBENZOATE & 2,2-OXYBIS-ETHANOL|Dibenzoate d'oxydiethylene|dibenzoato de oxidietileno|Dibenzoyldiethyleneglycol ester|Diethylene benzyl benzoate|Diethylene glycol, dibenzoate|EINECS 204-407-6|Ethanol, 2,2'-oxybis-, 1,1'-dibenzoate|Ethanol, 2,2'-oxybis-, dibenzoate|K-Flex DE|Monocizer PB 3|Oxydiethylendibenzoat|oxydiethylene dibenzoate|UNII-YAI66YDY1C|Velsicol 2-45|773104-50-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026967
ARPathway2016 ARPathway2016_586 Diethylene glycol dimethyl ether 111-96-6 DTXSID1024621 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COCCOCCOC Diethylene glycol dimethyl ether 111-96-6|Diethylene glycol dimethyl ether|(2-Methoxyethyl) ether|1-(2-Methoxyethoxy)-2-methoxyethane|1,1'-Oxybis(2-methoxyethane)|1,1'-Oxybis[2-methoxyethane]|1,5-Dimethoxy-3-oxapentane|2-(2-Methoxyethoxy)-1-methoxyethane|2,2'-oxybis(1-methoxyethane)|2,2'-oxybis[1-(methyloxy)ethane]|2,5,8-Trioxanonane|Ansul Ether 141|Bis(2-methoxyethyl) ether|Bis(2-methoxyethyl)ether|bis(2-metoxietil) eter|BRN 1736101|CH3-O-CH2-CH2-O-CH2-CH2-O-CH3|Di(2-methoxyethyl) ether|DIAETHYLENGLYKOL-DIMETHYLAETHER|Diethyl glycol dimethyl ether|diethylene glycol dimethyl ether|Diglycol methyl ether|Diglyme|Dimethyl carbitol|Dimethyl digol|EINECS 203-924-4|ETHANE, 1,1'-OXYBIS(2-METHOXY)-|ETHANE, 1,1'-OXYBIS(ETHOXY-METHOXY)|Ethane, 1,1'-oxybis[2-methoxy-|Ethanol, 2,2'-oxybis-, dimethyl ether|Ether, bis(2-methoxyethyl)|Hisolve MDM|Methyl diglyme|Methyldiglyme|NSC 59726|Oxyde de bis(2-methoxyethyle)|Poly-Solv|UNII-M4BH3X0MVZ|142939-39-7|54631-70-8|70992-86-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024621 https://doi.org/10.22427/NTP-DATA-DTXSID1024621
ARPathway2016 ARPathway2016_586 Diethylene glycol dimethyl ether 111-96-6 DTXSID1024621 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COCCOCCOC Diethylene glycol dimethyl ether 111-96-6|Diethylene glycol dimethyl ether|(2-Methoxyethyl) ether|1-(2-Methoxyethoxy)-2-methoxyethane|1,1'-Oxybis(2-methoxyethane)|1,1'-Oxybis[2-methoxyethane]|1,5-Dimethoxy-3-oxapentane|2-(2-Methoxyethoxy)-1-methoxyethane|2,2'-oxybis(1-methoxyethane)|2,2'-oxybis[1-(methyloxy)ethane]|2,5,8-Trioxanonane|Ansul Ether 141|Bis(2-methoxyethyl) ether|Bis(2-methoxyethyl)ether|bis(2-metoxietil) eter|BRN 1736101|CH3-O-CH2-CH2-O-CH2-CH2-O-CH3|Di(2-methoxyethyl) ether|DIAETHYLENGLYKOL-DIMETHYLAETHER|Diethyl glycol dimethyl ether|diethylene glycol dimethyl ether|Diglycol methyl ether|Diglyme|Dimethyl carbitol|Dimethyl digol|EINECS 203-924-4|ETHANE, 1,1'-OXYBIS(2-METHOXY)-|ETHANE, 1,1'-OXYBIS(ETHOXY-METHOXY)|Ethane, 1,1'-oxybis[2-methoxy-|Ethanol, 2,2'-oxybis-, dimethyl ether|Ether, bis(2-methoxyethyl)|Hisolve MDM|Methyl diglyme|Methyldiglyme|NSC 59726|Oxyde de bis(2-methoxyethyle)|Poly-Solv|UNII-M4BH3X0MVZ|142939-39-7|54631-70-8|70992-86-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024621 https://doi.org/10.22427/NTP-DATA-DTXSID1024621
ARPathway2016 ARPathway2016_586 Diethylene glycol dimethyl ether 111-96-6 DTXSID1024621 0.0 AR Pathway Model, Agonist Call Inactive Unitless COCCOCCOC Diethylene glycol dimethyl ether 111-96-6|Diethylene glycol dimethyl ether|(2-Methoxyethyl) ether|1-(2-Methoxyethoxy)-2-methoxyethane|1,1'-Oxybis(2-methoxyethane)|1,1'-Oxybis[2-methoxyethane]|1,5-Dimethoxy-3-oxapentane|2-(2-Methoxyethoxy)-1-methoxyethane|2,2'-oxybis(1-methoxyethane)|2,2'-oxybis[1-(methyloxy)ethane]|2,5,8-Trioxanonane|Ansul Ether 141|Bis(2-methoxyethyl) ether|Bis(2-methoxyethyl)ether|bis(2-metoxietil) eter|BRN 1736101|CH3-O-CH2-CH2-O-CH2-CH2-O-CH3|Di(2-methoxyethyl) ether|DIAETHYLENGLYKOL-DIMETHYLAETHER|Diethyl glycol dimethyl ether|diethylene glycol dimethyl ether|Diglycol methyl ether|Diglyme|Dimethyl carbitol|Dimethyl digol|EINECS 203-924-4|ETHANE, 1,1'-OXYBIS(2-METHOXY)-|ETHANE, 1,1'-OXYBIS(ETHOXY-METHOXY)|Ethane, 1,1'-oxybis[2-methoxy-|Ethanol, 2,2'-oxybis-, dimethyl ether|Ether, bis(2-methoxyethyl)|Hisolve MDM|Methyl diglyme|Methyldiglyme|NSC 59726|Oxyde de bis(2-methoxyethyle)|Poly-Solv|UNII-M4BH3X0MVZ|142939-39-7|54631-70-8|70992-86-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024621 https://doi.org/10.22427/NTP-DATA-DTXSID1024621
ARPathway2016 ARPathway2016_586 Diethylene glycol dimethyl ether 111-96-6 DTXSID1024621 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COCCOCCOC Diethylene glycol dimethyl ether 111-96-6|Diethylene glycol dimethyl ether|(2-Methoxyethyl) ether|1-(2-Methoxyethoxy)-2-methoxyethane|1,1'-Oxybis(2-methoxyethane)|1,1'-Oxybis[2-methoxyethane]|1,5-Dimethoxy-3-oxapentane|2-(2-Methoxyethoxy)-1-methoxyethane|2,2'-oxybis(1-methoxyethane)|2,2'-oxybis[1-(methyloxy)ethane]|2,5,8-Trioxanonane|Ansul Ether 141|Bis(2-methoxyethyl) ether|Bis(2-methoxyethyl)ether|bis(2-metoxietil) eter|BRN 1736101|CH3-O-CH2-CH2-O-CH2-CH2-O-CH3|Di(2-methoxyethyl) ether|DIAETHYLENGLYKOL-DIMETHYLAETHER|Diethyl glycol dimethyl ether|diethylene glycol dimethyl ether|Diglycol methyl ether|Diglyme|Dimethyl carbitol|Dimethyl digol|EINECS 203-924-4|ETHANE, 1,1'-OXYBIS(2-METHOXY)-|ETHANE, 1,1'-OXYBIS(ETHOXY-METHOXY)|Ethane, 1,1'-oxybis[2-methoxy-|Ethanol, 2,2'-oxybis-, dimethyl ether|Ether, bis(2-methoxyethyl)|Hisolve MDM|Methyl diglyme|Methyldiglyme|NSC 59726|Oxyde de bis(2-methoxyethyle)|Poly-Solv|UNII-M4BH3X0MVZ|142939-39-7|54631-70-8|70992-86-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024621 https://doi.org/10.22427/NTP-DATA-DTXSID1024621
ERPathway2016 ERPathway2016_1163 Diethylene glycol dimethyl ether 111-96-6 DTXSID1024621 ER Pathway Model, Agonist Model Score 0 Unitless COCCOCCOC Diethylene glycol dimethyl ether 111-96-6|Diethylene glycol dimethyl ether|(2-Methoxyethyl) ether|1-(2-Methoxyethoxy)-2-methoxyethane|1,1'-Oxybis(2-methoxyethane)|1,1'-Oxybis[2-methoxyethane]|1,5-Dimethoxy-3-oxapentane|2-(2-Methoxyethoxy)-1-methoxyethane|2,2'-oxybis(1-methoxyethane)|2,2'-oxybis[1-(methyloxy)ethane]|2,5,8-Trioxanonane|Ansul Ether 141|Bis(2-methoxyethyl) ether|Bis(2-methoxyethyl)ether|bis(2-metoxietil) eter|BRN 1736101|CH3-O-CH2-CH2-O-CH2-CH2-O-CH3|Di(2-methoxyethyl) ether|DIAETHYLENGLYKOL-DIMETHYLAETHER|Diethyl glycol dimethyl ether|diethylene glycol dimethyl ether|Diglycol methyl ether|Diglyme|Dimethyl carbitol|Dimethyl digol|EINECS 203-924-4|ETHANE, 1,1'-OXYBIS(2-METHOXY)-|ETHANE, 1,1'-OXYBIS(ETHOXY-METHOXY)|Ethane, 1,1'-oxybis[2-methoxy-|Ethanol, 2,2'-oxybis-, dimethyl ether|Ether, bis(2-methoxyethyl)|Hisolve MDM|Methyl diglyme|Methyldiglyme|NSC 59726|Oxyde de bis(2-methoxyethyle)|Poly-Solv|UNII-M4BH3X0MVZ|142939-39-7|54631-70-8|70992-86-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024621 https://doi.org/10.22427/NTP-DATA-DTXSID1024621
ERPathway2016 ERPathway2016_1163 Diethylene glycol dimethyl ether 111-96-6 DTXSID1024621 ER Pathway Model, Antagonist Model Score 0 Unitless COCCOCCOC Diethylene glycol dimethyl ether 111-96-6|Diethylene glycol dimethyl ether|(2-Methoxyethyl) ether|1-(2-Methoxyethoxy)-2-methoxyethane|1,1'-Oxybis(2-methoxyethane)|1,1'-Oxybis[2-methoxyethane]|1,5-Dimethoxy-3-oxapentane|2-(2-Methoxyethoxy)-1-methoxyethane|2,2'-oxybis(1-methoxyethane)|2,2'-oxybis[1-(methyloxy)ethane]|2,5,8-Trioxanonane|Ansul Ether 141|Bis(2-methoxyethyl) ether|Bis(2-methoxyethyl)ether|bis(2-metoxietil) eter|BRN 1736101|CH3-O-CH2-CH2-O-CH2-CH2-O-CH3|Di(2-methoxyethyl) ether|DIAETHYLENGLYKOL-DIMETHYLAETHER|Diethyl glycol dimethyl ether|diethylene glycol dimethyl ether|Diglycol methyl ether|Diglyme|Dimethyl carbitol|Dimethyl digol|EINECS 203-924-4|ETHANE, 1,1'-OXYBIS(2-METHOXY)-|ETHANE, 1,1'-OXYBIS(ETHOXY-METHOXY)|Ethane, 1,1'-oxybis[2-methoxy-|Ethanol, 2,2'-oxybis-, dimethyl ether|Ether, bis(2-methoxyethyl)|Hisolve MDM|Methyl diglyme|Methyldiglyme|NSC 59726|Oxyde de bis(2-methoxyethyle)|Poly-Solv|UNII-M4BH3X0MVZ|142939-39-7|54631-70-8|70992-86-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024621 https://doi.org/10.22427/NTP-DATA-DTXSID1024621
ERPathway2016 ERPathway2016_1163 Diethylene glycol dimethyl ether 111-96-6 DTXSID1024621 ER Pathway Model, Agonist Call Inactive Unitless COCCOCCOC Diethylene glycol dimethyl ether 111-96-6|Diethylene glycol dimethyl ether|(2-Methoxyethyl) ether|1-(2-Methoxyethoxy)-2-methoxyethane|1,1'-Oxybis(2-methoxyethane)|1,1'-Oxybis[2-methoxyethane]|1,5-Dimethoxy-3-oxapentane|2-(2-Methoxyethoxy)-1-methoxyethane|2,2'-oxybis(1-methoxyethane)|2,2'-oxybis[1-(methyloxy)ethane]|2,5,8-Trioxanonane|Ansul Ether 141|Bis(2-methoxyethyl) ether|Bis(2-methoxyethyl)ether|bis(2-metoxietil) eter|BRN 1736101|CH3-O-CH2-CH2-O-CH2-CH2-O-CH3|Di(2-methoxyethyl) ether|DIAETHYLENGLYKOL-DIMETHYLAETHER|Diethyl glycol dimethyl ether|diethylene glycol dimethyl ether|Diglycol methyl ether|Diglyme|Dimethyl carbitol|Dimethyl digol|EINECS 203-924-4|ETHANE, 1,1'-OXYBIS(2-METHOXY)-|ETHANE, 1,1'-OXYBIS(ETHOXY-METHOXY)|Ethane, 1,1'-oxybis[2-methoxy-|Ethanol, 2,2'-oxybis-, dimethyl ether|Ether, bis(2-methoxyethyl)|Hisolve MDM|Methyl diglyme|Methyldiglyme|NSC 59726|Oxyde de bis(2-methoxyethyle)|Poly-Solv|UNII-M4BH3X0MVZ|142939-39-7|54631-70-8|70992-86-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024621 https://doi.org/10.22427/NTP-DATA-DTXSID1024621
ERPathway2016 ERPathway2016_1163 Diethylene glycol dimethyl ether 111-96-6 DTXSID1024621 ER Pathway Model, Antagonist Call Inactive Unitless COCCOCCOC Diethylene glycol dimethyl ether 111-96-6|Diethylene glycol dimethyl ether|(2-Methoxyethyl) ether|1-(2-Methoxyethoxy)-2-methoxyethane|1,1'-Oxybis(2-methoxyethane)|1,1'-Oxybis[2-methoxyethane]|1,5-Dimethoxy-3-oxapentane|2-(2-Methoxyethoxy)-1-methoxyethane|2,2'-oxybis(1-methoxyethane)|2,2'-oxybis[1-(methyloxy)ethane]|2,5,8-Trioxanonane|Ansul Ether 141|Bis(2-methoxyethyl) ether|Bis(2-methoxyethyl)ether|bis(2-metoxietil) eter|BRN 1736101|CH3-O-CH2-CH2-O-CH2-CH2-O-CH3|Di(2-methoxyethyl) ether|DIAETHYLENGLYKOL-DIMETHYLAETHER|Diethyl glycol dimethyl ether|diethylene glycol dimethyl ether|Diglycol methyl ether|Diglyme|Dimethyl carbitol|Dimethyl digol|EINECS 203-924-4|ETHANE, 1,1'-OXYBIS(2-METHOXY)-|ETHANE, 1,1'-OXYBIS(ETHOXY-METHOXY)|Ethane, 1,1'-oxybis[2-methoxy-|Ethanol, 2,2'-oxybis-, dimethyl ether|Ether, bis(2-methoxyethyl)|Hisolve MDM|Methyl diglyme|Methyldiglyme|NSC 59726|Oxyde de bis(2-methoxyethyle)|Poly-Solv|UNII-M4BH3X0MVZ|142939-39-7|54631-70-8|70992-86-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024621 https://doi.org/10.22427/NTP-DATA-DTXSID1024621
ARPathway2016 ARPathway2016_578 Diethylene glycol monomethyl ether 111-77-3 DTXSID3025049 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COCCOCCO Diethylene glycol monomethyl ether 111-77-3|Diethylene glycol monomethyl ether|2-(2-METHOXY-ETHOXY)ETHANOL|2-(2-Methoxyethoxy)ethanol|2-(2-metoxietoxi)etanol|2-Hydroxyethyl 2-methoxyethyl ether|3,6-Dioxa-1-heptanol|4-01-00-02392|beta-Methoxy-beta'-hydroxydiethyl ether|Bikanol M 2|BRN 1697812|Caswell No. 338B|DIAETHYLENGLYKOL-MONOMETHYLAETHER|Diethylene glycol methyl ether|Diethylene glycol monomethyl ether|Diethyleneglycol monomethyl ether|Diglycol monomethyl ether|Dowanol DM|EGME, di-|EINECS 203-906-6|Ektasolve DM|EPA Pesticide Chemical Code 042204|Ethanol, 2-(2-methoxyethoxy)-|Ethanol, 2-(2-methoxyethoxy)- 2-(2-Methoxyethoxy)ethan-1-ol|Ethanol, 2,2'-oxybis-, monomethyl ether|Ethylene diglycol monomethyl ether|HEPTAN-1-OL, 3,6-DIOXA-|Hicotol CAR|Jeffersol DM|METHOXYDIETHYLENEGLYCOL|Methoxydiglycol|METHYL CARBITOL|METHYL DIGOL|Methyl Dioxitol|Methyl karbitol|methylcarbitol|Methyldiethylene glycol|NSC 2261|Poly-Solv DM|UNII-465DDJ8G8K|b-Methoxy-b'-hydroxydiethyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025049 https://doi.org/10.22427/NTP-DATA-DTXSID3025049
ARPathway2016 ARPathway2016_578 Diethylene glycol monomethyl ether 111-77-3 DTXSID3025049 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COCCOCCO Diethylene glycol monomethyl ether 111-77-3|Diethylene glycol monomethyl ether|2-(2-METHOXY-ETHOXY)ETHANOL|2-(2-Methoxyethoxy)ethanol|2-(2-metoxietoxi)etanol|2-Hydroxyethyl 2-methoxyethyl ether|3,6-Dioxa-1-heptanol|4-01-00-02392|beta-Methoxy-beta'-hydroxydiethyl ether|Bikanol M 2|BRN 1697812|Caswell No. 338B|DIAETHYLENGLYKOL-MONOMETHYLAETHER|Diethylene glycol methyl ether|Diethylene glycol monomethyl ether|Diethyleneglycol monomethyl ether|Diglycol monomethyl ether|Dowanol DM|EGME, di-|EINECS 203-906-6|Ektasolve DM|EPA Pesticide Chemical Code 042204|Ethanol, 2-(2-methoxyethoxy)-|Ethanol, 2-(2-methoxyethoxy)- 2-(2-Methoxyethoxy)ethan-1-ol|Ethanol, 2,2'-oxybis-, monomethyl ether|Ethylene diglycol monomethyl ether|HEPTAN-1-OL, 3,6-DIOXA-|Hicotol CAR|Jeffersol DM|METHOXYDIETHYLENEGLYCOL|Methoxydiglycol|METHYL CARBITOL|METHYL DIGOL|Methyl Dioxitol|Methyl karbitol|methylcarbitol|Methyldiethylene glycol|NSC 2261|Poly-Solv DM|UNII-465DDJ8G8K|b-Methoxy-b'-hydroxydiethyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025049 https://doi.org/10.22427/NTP-DATA-DTXSID3025049
ARPathway2016 ARPathway2016_578 Diethylene glycol monomethyl ether 111-77-3 DTXSID3025049 0.0 AR Pathway Model, Agonist Call Inactive Unitless COCCOCCO Diethylene glycol monomethyl ether 111-77-3|Diethylene glycol monomethyl ether|2-(2-METHOXY-ETHOXY)ETHANOL|2-(2-Methoxyethoxy)ethanol|2-(2-metoxietoxi)etanol|2-Hydroxyethyl 2-methoxyethyl ether|3,6-Dioxa-1-heptanol|4-01-00-02392|beta-Methoxy-beta'-hydroxydiethyl ether|Bikanol M 2|BRN 1697812|Caswell No. 338B|DIAETHYLENGLYKOL-MONOMETHYLAETHER|Diethylene glycol methyl ether|Diethylene glycol monomethyl ether|Diethyleneglycol monomethyl ether|Diglycol monomethyl ether|Dowanol DM|EGME, di-|EINECS 203-906-6|Ektasolve DM|EPA Pesticide Chemical Code 042204|Ethanol, 2-(2-methoxyethoxy)-|Ethanol, 2-(2-methoxyethoxy)- 2-(2-Methoxyethoxy)ethan-1-ol|Ethanol, 2,2'-oxybis-, monomethyl ether|Ethylene diglycol monomethyl ether|HEPTAN-1-OL, 3,6-DIOXA-|Hicotol CAR|Jeffersol DM|METHOXYDIETHYLENEGLYCOL|Methoxydiglycol|METHYL CARBITOL|METHYL DIGOL|Methyl Dioxitol|Methyl karbitol|methylcarbitol|Methyldiethylene glycol|NSC 2261|Poly-Solv DM|UNII-465DDJ8G8K|b-Methoxy-b'-hydroxydiethyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025049 https://doi.org/10.22427/NTP-DATA-DTXSID3025049
ARPathway2016 ARPathway2016_578 Diethylene glycol monomethyl ether 111-77-3 DTXSID3025049 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COCCOCCO Diethylene glycol monomethyl ether 111-77-3|Diethylene glycol monomethyl ether|2-(2-METHOXY-ETHOXY)ETHANOL|2-(2-Methoxyethoxy)ethanol|2-(2-metoxietoxi)etanol|2-Hydroxyethyl 2-methoxyethyl ether|3,6-Dioxa-1-heptanol|4-01-00-02392|beta-Methoxy-beta'-hydroxydiethyl ether|Bikanol M 2|BRN 1697812|Caswell No. 338B|DIAETHYLENGLYKOL-MONOMETHYLAETHER|Diethylene glycol methyl ether|Diethylene glycol monomethyl ether|Diethyleneglycol monomethyl ether|Diglycol monomethyl ether|Dowanol DM|EGME, di-|EINECS 203-906-6|Ektasolve DM|EPA Pesticide Chemical Code 042204|Ethanol, 2-(2-methoxyethoxy)-|Ethanol, 2-(2-methoxyethoxy)- 2-(2-Methoxyethoxy)ethan-1-ol|Ethanol, 2,2'-oxybis-, monomethyl ether|Ethylene diglycol monomethyl ether|HEPTAN-1-OL, 3,6-DIOXA-|Hicotol CAR|Jeffersol DM|METHOXYDIETHYLENEGLYCOL|Methoxydiglycol|METHYL CARBITOL|METHYL DIGOL|Methyl Dioxitol|Methyl karbitol|methylcarbitol|Methyldiethylene glycol|NSC 2261|Poly-Solv DM|UNII-465DDJ8G8K|b-Methoxy-b'-hydroxydiethyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025049 https://doi.org/10.22427/NTP-DATA-DTXSID3025049
ERPathway2016 ERPathway2016_1156 Diethylene glycol monomethyl ether 111-77-3 DTXSID3025049 ER Pathway Model, Agonist Model Score 0 Unitless COCCOCCO Diethylene glycol monomethyl ether 111-77-3|Diethylene glycol monomethyl ether|2-(2-METHOXY-ETHOXY)ETHANOL|2-(2-Methoxyethoxy)ethanol|2-(2-metoxietoxi)etanol|2-Hydroxyethyl 2-methoxyethyl ether|3,6-Dioxa-1-heptanol|4-01-00-02392|beta-Methoxy-beta'-hydroxydiethyl ether|Bikanol M 2|BRN 1697812|Caswell No. 338B|DIAETHYLENGLYKOL-MONOMETHYLAETHER|Diethylene glycol methyl ether|Diethylene glycol monomethyl ether|Diethyleneglycol monomethyl ether|Diglycol monomethyl ether|Dowanol DM|EGME, di-|EINECS 203-906-6|Ektasolve DM|EPA Pesticide Chemical Code 042204|Ethanol, 2-(2-methoxyethoxy)-|Ethanol, 2-(2-methoxyethoxy)- 2-(2-Methoxyethoxy)ethan-1-ol|Ethanol, 2,2'-oxybis-, monomethyl ether|Ethylene diglycol monomethyl ether|HEPTAN-1-OL, 3,6-DIOXA-|Hicotol CAR|Jeffersol DM|METHOXYDIETHYLENEGLYCOL|Methoxydiglycol|METHYL CARBITOL|METHYL DIGOL|Methyl Dioxitol|Methyl karbitol|methylcarbitol|Methyldiethylene glycol|NSC 2261|Poly-Solv DM|UNII-465DDJ8G8K|b-Methoxy-b'-hydroxydiethyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025049 https://doi.org/10.22427/NTP-DATA-DTXSID3025049
ERPathway2016 ERPathway2016_1156 Diethylene glycol monomethyl ether 111-77-3 DTXSID3025049 ER Pathway Model, Antagonist Model Score 0 Unitless COCCOCCO Diethylene glycol monomethyl ether 111-77-3|Diethylene glycol monomethyl ether|2-(2-METHOXY-ETHOXY)ETHANOL|2-(2-Methoxyethoxy)ethanol|2-(2-metoxietoxi)etanol|2-Hydroxyethyl 2-methoxyethyl ether|3,6-Dioxa-1-heptanol|4-01-00-02392|beta-Methoxy-beta'-hydroxydiethyl ether|Bikanol M 2|BRN 1697812|Caswell No. 338B|DIAETHYLENGLYKOL-MONOMETHYLAETHER|Diethylene glycol methyl ether|Diethylene glycol monomethyl ether|Diethyleneglycol monomethyl ether|Diglycol monomethyl ether|Dowanol DM|EGME, di-|EINECS 203-906-6|Ektasolve DM|EPA Pesticide Chemical Code 042204|Ethanol, 2-(2-methoxyethoxy)-|Ethanol, 2-(2-methoxyethoxy)- 2-(2-Methoxyethoxy)ethan-1-ol|Ethanol, 2,2'-oxybis-, monomethyl ether|Ethylene diglycol monomethyl ether|HEPTAN-1-OL, 3,6-DIOXA-|Hicotol CAR|Jeffersol DM|METHOXYDIETHYLENEGLYCOL|Methoxydiglycol|METHYL CARBITOL|METHYL DIGOL|Methyl Dioxitol|Methyl karbitol|methylcarbitol|Methyldiethylene glycol|NSC 2261|Poly-Solv DM|UNII-465DDJ8G8K|b-Methoxy-b'-hydroxydiethyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025049 https://doi.org/10.22427/NTP-DATA-DTXSID3025049
ERPathway2016 ERPathway2016_1156 Diethylene glycol monomethyl ether 111-77-3 DTXSID3025049 ER Pathway Model, Agonist Call Inactive Unitless COCCOCCO Diethylene glycol monomethyl ether 111-77-3|Diethylene glycol monomethyl ether|2-(2-METHOXY-ETHOXY)ETHANOL|2-(2-Methoxyethoxy)ethanol|2-(2-metoxietoxi)etanol|2-Hydroxyethyl 2-methoxyethyl ether|3,6-Dioxa-1-heptanol|4-01-00-02392|beta-Methoxy-beta'-hydroxydiethyl ether|Bikanol M 2|BRN 1697812|Caswell No. 338B|DIAETHYLENGLYKOL-MONOMETHYLAETHER|Diethylene glycol methyl ether|Diethylene glycol monomethyl ether|Diethyleneglycol monomethyl ether|Diglycol monomethyl ether|Dowanol DM|EGME, di-|EINECS 203-906-6|Ektasolve DM|EPA Pesticide Chemical Code 042204|Ethanol, 2-(2-methoxyethoxy)-|Ethanol, 2-(2-methoxyethoxy)- 2-(2-Methoxyethoxy)ethan-1-ol|Ethanol, 2,2'-oxybis-, monomethyl ether|Ethylene diglycol monomethyl ether|HEPTAN-1-OL, 3,6-DIOXA-|Hicotol CAR|Jeffersol DM|METHOXYDIETHYLENEGLYCOL|Methoxydiglycol|METHYL CARBITOL|METHYL DIGOL|Methyl Dioxitol|Methyl karbitol|methylcarbitol|Methyldiethylene glycol|NSC 2261|Poly-Solv DM|UNII-465DDJ8G8K|b-Methoxy-b'-hydroxydiethyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025049 https://doi.org/10.22427/NTP-DATA-DTXSID3025049
ERPathway2016 ERPathway2016_1156 Diethylene glycol monomethyl ether 111-77-3 DTXSID3025049 ER Pathway Model, Antagonist Call Inactive Unitless COCCOCCO Diethylene glycol monomethyl ether 111-77-3|Diethylene glycol monomethyl ether|2-(2-METHOXY-ETHOXY)ETHANOL|2-(2-Methoxyethoxy)ethanol|2-(2-metoxietoxi)etanol|2-Hydroxyethyl 2-methoxyethyl ether|3,6-Dioxa-1-heptanol|4-01-00-02392|beta-Methoxy-beta'-hydroxydiethyl ether|Bikanol M 2|BRN 1697812|Caswell No. 338B|DIAETHYLENGLYKOL-MONOMETHYLAETHER|Diethylene glycol methyl ether|Diethylene glycol monomethyl ether|Diethyleneglycol monomethyl ether|Diglycol monomethyl ether|Dowanol DM|EGME, di-|EINECS 203-906-6|Ektasolve DM|EPA Pesticide Chemical Code 042204|Ethanol, 2-(2-methoxyethoxy)-|Ethanol, 2-(2-methoxyethoxy)- 2-(2-Methoxyethoxy)ethan-1-ol|Ethanol, 2,2'-oxybis-, monomethyl ether|Ethylene diglycol monomethyl ether|HEPTAN-1-OL, 3,6-DIOXA-|Hicotol CAR|Jeffersol DM|METHOXYDIETHYLENEGLYCOL|Methoxydiglycol|METHYL CARBITOL|METHYL DIGOL|Methyl Dioxitol|Methyl karbitol|methylcarbitol|Methyldiethylene glycol|NSC 2261|Poly-Solv DM|UNII-465DDJ8G8K|b-Methoxy-b'-hydroxydiethyl ether https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025049 https://doi.org/10.22427/NTP-DATA-DTXSID3025049
ARPathway2016 ARPathway2016_566 Diethylenetriamine 111-40-0 DTXSID2025050 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NCCNCCN Diethylenetriamine 111-40-0|Diethylenetriamine|1,2-Ethanediamine, N-(2-aminoethyl)-|1,2-Ethanediamine, N1-(2-aminoethyl)-|1,2-Ethanediamine,N-(2-aminoethyl)|1,4,7-Triazaheptane|1,5-Diamino-3-azapentane|2-(2-Aminoethylamino)ethylamine|2,2'-Diaminodiethylamine|2,2'-Iminobis(ethanamine)|2,2'-Iminodi(ethylamin)|2,2'-Iminodi(ethylamine)|2,2'-iminodi(etilamina)|2,2'-IMINODIETHYLAMINE|3-Azapentane-1,5-diamine|4-04-00-01238|Aminoethylethandiamine|Ancamine DETA|Barsamide 115|Bis-(2-aminoethyl) amine|Bis(2-aminoethyl)amine|Bis(beta-aminoethyl)amine|Bis(b-aminoethyl)amine|BRN 0605314|DIAETHYLENTRIAMIN|dien|Diethylamine, 2,2'-diamino-|EINECS 203-865-4|Epicure 3223|Epicure T|ETHANE-1,2-DIAMINE, N-(2-AMINOETHYL)-|Ethylamine, 2,2'-iminobis-|Imino-bis-ethylamine|N-(2-Aminoethyl)-1,2-ethanediamine|N-(2-Aminoethyl)ethylenediamine|N,N-Bis(2-aminoethyl)amine|NCI 138881|NSC 446|UN 2079|UNII-03K6SX4V2J|1078151-43-5|1380230-30-7|1801663-13-7|203009-17-0|26915-78-6|419553-44-9|53303-76-7|54018-92-7|59135-90-9|73989-30-7|8076-55-9|859039-00-2|94700-17-1|98824-35-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025050 https://doi.org/10.22427/NTP-DATA-DTXSID2025050
ARPathway2016 ARPathway2016_566 Diethylenetriamine 111-40-0 DTXSID2025050 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NCCNCCN Diethylenetriamine 111-40-0|Diethylenetriamine|1,2-Ethanediamine, N-(2-aminoethyl)-|1,2-Ethanediamine, N1-(2-aminoethyl)-|1,2-Ethanediamine,N-(2-aminoethyl)|1,4,7-Triazaheptane|1,5-Diamino-3-azapentane|2-(2-Aminoethylamino)ethylamine|2,2'-Diaminodiethylamine|2,2'-Iminobis(ethanamine)|2,2'-Iminodi(ethylamin)|2,2'-Iminodi(ethylamine)|2,2'-iminodi(etilamina)|2,2'-IMINODIETHYLAMINE|3-Azapentane-1,5-diamine|4-04-00-01238|Aminoethylethandiamine|Ancamine DETA|Barsamide 115|Bis-(2-aminoethyl) amine|Bis(2-aminoethyl)amine|Bis(beta-aminoethyl)amine|Bis(b-aminoethyl)amine|BRN 0605314|DIAETHYLENTRIAMIN|dien|Diethylamine, 2,2'-diamino-|EINECS 203-865-4|Epicure 3223|Epicure T|ETHANE-1,2-DIAMINE, N-(2-AMINOETHYL)-|Ethylamine, 2,2'-iminobis-|Imino-bis-ethylamine|N-(2-Aminoethyl)-1,2-ethanediamine|N-(2-Aminoethyl)ethylenediamine|N,N-Bis(2-aminoethyl)amine|NCI 138881|NSC 446|UN 2079|UNII-03K6SX4V2J|1078151-43-5|1380230-30-7|1801663-13-7|203009-17-0|26915-78-6|419553-44-9|53303-76-7|54018-92-7|59135-90-9|73989-30-7|8076-55-9|859039-00-2|94700-17-1|98824-35-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025050 https://doi.org/10.22427/NTP-DATA-DTXSID2025050
ARPathway2016 ARPathway2016_566 Diethylenetriamine 111-40-0 DTXSID2025050 0.0 AR Pathway Model, Agonist Call Inactive Unitless NCCNCCN Diethylenetriamine 111-40-0|Diethylenetriamine|1,2-Ethanediamine, N-(2-aminoethyl)-|1,2-Ethanediamine, N1-(2-aminoethyl)-|1,2-Ethanediamine,N-(2-aminoethyl)|1,4,7-Triazaheptane|1,5-Diamino-3-azapentane|2-(2-Aminoethylamino)ethylamine|2,2'-Diaminodiethylamine|2,2'-Iminobis(ethanamine)|2,2'-Iminodi(ethylamin)|2,2'-Iminodi(ethylamine)|2,2'-iminodi(etilamina)|2,2'-IMINODIETHYLAMINE|3-Azapentane-1,5-diamine|4-04-00-01238|Aminoethylethandiamine|Ancamine DETA|Barsamide 115|Bis-(2-aminoethyl) amine|Bis(2-aminoethyl)amine|Bis(beta-aminoethyl)amine|Bis(b-aminoethyl)amine|BRN 0605314|DIAETHYLENTRIAMIN|dien|Diethylamine, 2,2'-diamino-|EINECS 203-865-4|Epicure 3223|Epicure T|ETHANE-1,2-DIAMINE, N-(2-AMINOETHYL)-|Ethylamine, 2,2'-iminobis-|Imino-bis-ethylamine|N-(2-Aminoethyl)-1,2-ethanediamine|N-(2-Aminoethyl)ethylenediamine|N,N-Bis(2-aminoethyl)amine|NCI 138881|NSC 446|UN 2079|UNII-03K6SX4V2J|1078151-43-5|1380230-30-7|1801663-13-7|203009-17-0|26915-78-6|419553-44-9|53303-76-7|54018-92-7|59135-90-9|73989-30-7|8076-55-9|859039-00-2|94700-17-1|98824-35-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025050 https://doi.org/10.22427/NTP-DATA-DTXSID2025050
ARPathway2016 ARPathway2016_566 Diethylenetriamine 111-40-0 DTXSID2025050 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NCCNCCN Diethylenetriamine 111-40-0|Diethylenetriamine|1,2-Ethanediamine, N-(2-aminoethyl)-|1,2-Ethanediamine, N1-(2-aminoethyl)-|1,2-Ethanediamine,N-(2-aminoethyl)|1,4,7-Triazaheptane|1,5-Diamino-3-azapentane|2-(2-Aminoethylamino)ethylamine|2,2'-Diaminodiethylamine|2,2'-Iminobis(ethanamine)|2,2'-Iminodi(ethylamin)|2,2'-Iminodi(ethylamine)|2,2'-iminodi(etilamina)|2,2'-IMINODIETHYLAMINE|3-Azapentane-1,5-diamine|4-04-00-01238|Aminoethylethandiamine|Ancamine DETA|Barsamide 115|Bis-(2-aminoethyl) amine|Bis(2-aminoethyl)amine|Bis(beta-aminoethyl)amine|Bis(b-aminoethyl)amine|BRN 0605314|DIAETHYLENTRIAMIN|dien|Diethylamine, 2,2'-diamino-|EINECS 203-865-4|Epicure 3223|Epicure T|ETHANE-1,2-DIAMINE, N-(2-AMINOETHYL)-|Ethylamine, 2,2'-iminobis-|Imino-bis-ethylamine|N-(2-Aminoethyl)-1,2-ethanediamine|N-(2-Aminoethyl)ethylenediamine|N,N-Bis(2-aminoethyl)amine|NCI 138881|NSC 446|UN 2079|UNII-03K6SX4V2J|1078151-43-5|1380230-30-7|1801663-13-7|203009-17-0|26915-78-6|419553-44-9|53303-76-7|54018-92-7|59135-90-9|73989-30-7|8076-55-9|859039-00-2|94700-17-1|98824-35-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025050 https://doi.org/10.22427/NTP-DATA-DTXSID2025050
ERPathway2016 ERPathway2016_714 Diethylenetriamine 111-40-0 DTXSID2025050 ER Pathway Model, Agonist Model Score 0 Unitless NCCNCCN Diethylenetriamine 111-40-0|Diethylenetriamine|1,2-Ethanediamine, N-(2-aminoethyl)-|1,2-Ethanediamine, N1-(2-aminoethyl)-|1,2-Ethanediamine,N-(2-aminoethyl)|1,4,7-Triazaheptane|1,5-Diamino-3-azapentane|2-(2-Aminoethylamino)ethylamine|2,2'-Diaminodiethylamine|2,2'-Iminobis(ethanamine)|2,2'-Iminodi(ethylamin)|2,2'-Iminodi(ethylamine)|2,2'-iminodi(etilamina)|2,2'-IMINODIETHYLAMINE|3-Azapentane-1,5-diamine|4-04-00-01238|Aminoethylethandiamine|Ancamine DETA|Barsamide 115|Bis-(2-aminoethyl) amine|Bis(2-aminoethyl)amine|Bis(beta-aminoethyl)amine|Bis(b-aminoethyl)amine|BRN 0605314|DIAETHYLENTRIAMIN|dien|Diethylamine, 2,2'-diamino-|EINECS 203-865-4|Epicure 3223|Epicure T|ETHANE-1,2-DIAMINE, N-(2-AMINOETHYL)-|Ethylamine, 2,2'-iminobis-|Imino-bis-ethylamine|N-(2-Aminoethyl)-1,2-ethanediamine|N-(2-Aminoethyl)ethylenediamine|N,N-Bis(2-aminoethyl)amine|NCI 138881|NSC 446|UN 2079|UNII-03K6SX4V2J|1078151-43-5|1380230-30-7|1801663-13-7|203009-17-0|26915-78-6|419553-44-9|53303-76-7|54018-92-7|59135-90-9|73989-30-7|8076-55-9|859039-00-2|94700-17-1|98824-35-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025050 https://doi.org/10.22427/NTP-DATA-DTXSID2025050
ERPathway2016 ERPathway2016_714 Diethylenetriamine 111-40-0 DTXSID2025050 ER Pathway Model, Antagonist Model Score 0 Unitless NCCNCCN Diethylenetriamine 111-40-0|Diethylenetriamine|1,2-Ethanediamine, N-(2-aminoethyl)-|1,2-Ethanediamine, N1-(2-aminoethyl)-|1,2-Ethanediamine,N-(2-aminoethyl)|1,4,7-Triazaheptane|1,5-Diamino-3-azapentane|2-(2-Aminoethylamino)ethylamine|2,2'-Diaminodiethylamine|2,2'-Iminobis(ethanamine)|2,2'-Iminodi(ethylamin)|2,2'-Iminodi(ethylamine)|2,2'-iminodi(etilamina)|2,2'-IMINODIETHYLAMINE|3-Azapentane-1,5-diamine|4-04-00-01238|Aminoethylethandiamine|Ancamine DETA|Barsamide 115|Bis-(2-aminoethyl) amine|Bis(2-aminoethyl)amine|Bis(beta-aminoethyl)amine|Bis(b-aminoethyl)amine|BRN 0605314|DIAETHYLENTRIAMIN|dien|Diethylamine, 2,2'-diamino-|EINECS 203-865-4|Epicure 3223|Epicure T|ETHANE-1,2-DIAMINE, N-(2-AMINOETHYL)-|Ethylamine, 2,2'-iminobis-|Imino-bis-ethylamine|N-(2-Aminoethyl)-1,2-ethanediamine|N-(2-Aminoethyl)ethylenediamine|N,N-Bis(2-aminoethyl)amine|NCI 138881|NSC 446|UN 2079|UNII-03K6SX4V2J|1078151-43-5|1380230-30-7|1801663-13-7|203009-17-0|26915-78-6|419553-44-9|53303-76-7|54018-92-7|59135-90-9|73989-30-7|8076-55-9|859039-00-2|94700-17-1|98824-35-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025050 https://doi.org/10.22427/NTP-DATA-DTXSID2025050
ERPathway2016 ERPathway2016_714 Diethylenetriamine 111-40-0 DTXSID2025050 ER Pathway Model, Agonist Call Inactive Unitless NCCNCCN Diethylenetriamine 111-40-0|Diethylenetriamine|1,2-Ethanediamine, N-(2-aminoethyl)-|1,2-Ethanediamine, N1-(2-aminoethyl)-|1,2-Ethanediamine,N-(2-aminoethyl)|1,4,7-Triazaheptane|1,5-Diamino-3-azapentane|2-(2-Aminoethylamino)ethylamine|2,2'-Diaminodiethylamine|2,2'-Iminobis(ethanamine)|2,2'-Iminodi(ethylamin)|2,2'-Iminodi(ethylamine)|2,2'-iminodi(etilamina)|2,2'-IMINODIETHYLAMINE|3-Azapentane-1,5-diamine|4-04-00-01238|Aminoethylethandiamine|Ancamine DETA|Barsamide 115|Bis-(2-aminoethyl) amine|Bis(2-aminoethyl)amine|Bis(beta-aminoethyl)amine|Bis(b-aminoethyl)amine|BRN 0605314|DIAETHYLENTRIAMIN|dien|Diethylamine, 2,2'-diamino-|EINECS 203-865-4|Epicure 3223|Epicure T|ETHANE-1,2-DIAMINE, N-(2-AMINOETHYL)-|Ethylamine, 2,2'-iminobis-|Imino-bis-ethylamine|N-(2-Aminoethyl)-1,2-ethanediamine|N-(2-Aminoethyl)ethylenediamine|N,N-Bis(2-aminoethyl)amine|NCI 138881|NSC 446|UN 2079|UNII-03K6SX4V2J|1078151-43-5|1380230-30-7|1801663-13-7|203009-17-0|26915-78-6|419553-44-9|53303-76-7|54018-92-7|59135-90-9|73989-30-7|8076-55-9|859039-00-2|94700-17-1|98824-35-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025050 https://doi.org/10.22427/NTP-DATA-DTXSID2025050
ERPathway2016 ERPathway2016_714 Diethylenetriamine 111-40-0 DTXSID2025050 ER Pathway Model, Antagonist Call Inactive Unitless NCCNCCN Diethylenetriamine 111-40-0|Diethylenetriamine|1,2-Ethanediamine, N-(2-aminoethyl)-|1,2-Ethanediamine, N1-(2-aminoethyl)-|1,2-Ethanediamine,N-(2-aminoethyl)|1,4,7-Triazaheptane|1,5-Diamino-3-azapentane|2-(2-Aminoethylamino)ethylamine|2,2'-Diaminodiethylamine|2,2'-Iminobis(ethanamine)|2,2'-Iminodi(ethylamin)|2,2'-Iminodi(ethylamine)|2,2'-iminodi(etilamina)|2,2'-IMINODIETHYLAMINE|3-Azapentane-1,5-diamine|4-04-00-01238|Aminoethylethandiamine|Ancamine DETA|Barsamide 115|Bis-(2-aminoethyl) amine|Bis(2-aminoethyl)amine|Bis(beta-aminoethyl)amine|Bis(b-aminoethyl)amine|BRN 0605314|DIAETHYLENTRIAMIN|dien|Diethylamine, 2,2'-diamino-|EINECS 203-865-4|Epicure 3223|Epicure T|ETHANE-1,2-DIAMINE, N-(2-AMINOETHYL)-|Ethylamine, 2,2'-iminobis-|Imino-bis-ethylamine|N-(2-Aminoethyl)-1,2-ethanediamine|N-(2-Aminoethyl)ethylenediamine|N,N-Bis(2-aminoethyl)amine|NCI 138881|NSC 446|UN 2079|UNII-03K6SX4V2J|1078151-43-5|1380230-30-7|1801663-13-7|203009-17-0|26915-78-6|419553-44-9|53303-76-7|54018-92-7|59135-90-9|73989-30-7|8076-55-9|859039-00-2|94700-17-1|98824-35-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025050 https://doi.org/10.22427/NTP-DATA-DTXSID2025050
ARPathway2016 ARPathway2016_215 Diethylstilbestrol 56-53-1 DTXSID3020465 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 26.536212282631 uM CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Diethylstilbestrol 56-53-1|Diethylstilbestrol|(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene|(E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol|(E)-Diethylstilbestrol|4,4'-Dihydroxy-alpha,beta-diethylstilbene|4,4'-Dihydroxy-a,b-diethylstilbene|4,4'-Dihydroxydiethylstilbene|4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, trans-|Agostilben|alpha,alpha'-Diethyl-(E)-4,4'-stilbenediol|alpha,alpha'-Diethylstilbenediol|Antigestil|Bertrol|Bio-des|BRN 2056095|Climaterine|Comestrol|Comestrol estrobene|Cyren A|Dawe's destrol|DES|Di-Estryl|Diaethylstilboestrolum|Diastyl|Dibestrol|Dibestrol '2' premix|DiBestrol 2 Premix|Dicorvin|Diethylstilbesterol|Diethylstilbestrolum|Diethylstilboesterol|dietilestilbestrol|Dietilstilbestrolo|Distilbene|Domestrol|Dyestrol|E-Diethylstilbestrol|EINECS 200-278-5|Estilbin MCO|Estrobene|Estromenin|Estrosyn|Fonatol|Grafestrol|Gynopharm|Hi-Bestrol|Idroestril|Iscovesco|Makarol|Menostilbeen|Micrest|Microest|Milestrol|Neo-Oestranol I|NSC 3070|NSC-3070|Oestrogenine|Oestrol vetag||8026-45-7|8028-09-9|8030-34-0|8049-42-1|8053-00-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020465 https://doi.org/10.22427/NTP-DATA-DTXSID3020465
ARPathway2016 ARPathway2016_215 Diethylstilbestrol 56-53-1 DTXSID3020465 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 20.60151937 uM CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Diethylstilbestrol 56-53-1|Diethylstilbestrol|(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene|(E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol|(E)-Diethylstilbestrol|4,4'-Dihydroxy-alpha,beta-diethylstilbene|4,4'-Dihydroxy-a,b-diethylstilbene|4,4'-Dihydroxydiethylstilbene|4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, trans-|Agostilben|alpha,alpha'-Diethyl-(E)-4,4'-stilbenediol|alpha,alpha'-Diethylstilbenediol|Antigestil|Bertrol|Bio-des|BRN 2056095|Climaterine|Comestrol|Comestrol estrobene|Cyren A|Dawe's destrol|DES|Di-Estryl|Diaethylstilboestrolum|Diastyl|Dibestrol|Dibestrol '2' premix|DiBestrol 2 Premix|Dicorvin|Diethylstilbesterol|Diethylstilbestrolum|Diethylstilboesterol|dietilestilbestrol|Dietilstilbestrolo|Distilbene|Domestrol|Dyestrol|E-Diethylstilbestrol|EINECS 200-278-5|Estilbin MCO|Estrobene|Estromenin|Estrosyn|Fonatol|Grafestrol|Gynopharm|Hi-Bestrol|Idroestril|Iscovesco|Makarol|Menostilbeen|Micrest|Microest|Milestrol|Neo-Oestranol I|NSC 3070|NSC-3070|Oestrogenine|Oestrol vetag||8026-45-7|8028-09-9|8030-34-0|8049-42-1|8053-00-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020465 https://doi.org/10.22427/NTP-DATA-DTXSID3020465
ARPathway2016 ARPathway2016_215 Diethylstilbestrol 56-53-1 DTXSID3020465 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.319 Unitless CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Diethylstilbestrol 56-53-1|Diethylstilbestrol|(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene|(E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol|(E)-Diethylstilbestrol|4,4'-Dihydroxy-alpha,beta-diethylstilbene|4,4'-Dihydroxy-a,b-diethylstilbene|4,4'-Dihydroxydiethylstilbene|4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, trans-|Agostilben|alpha,alpha'-Diethyl-(E)-4,4'-stilbenediol|alpha,alpha'-Diethylstilbenediol|Antigestil|Bertrol|Bio-des|BRN 2056095|Climaterine|Comestrol|Comestrol estrobene|Cyren A|Dawe's destrol|DES|Di-Estryl|Diaethylstilboestrolum|Diastyl|Dibestrol|Dibestrol '2' premix|DiBestrol 2 Premix|Dicorvin|Diethylstilbesterol|Diethylstilbestrolum|Diethylstilboesterol|dietilestilbestrol|Dietilstilbestrolo|Distilbene|Domestrol|Dyestrol|E-Diethylstilbestrol|EINECS 200-278-5|Estilbin MCO|Estrobene|Estromenin|Estrosyn|Fonatol|Grafestrol|Gynopharm|Hi-Bestrol|Idroestril|Iscovesco|Makarol|Menostilbeen|Micrest|Microest|Milestrol|Neo-Oestranol I|NSC 3070|NSC-3070|Oestrogenine|Oestrol vetag||8026-45-7|8028-09-9|8030-34-0|8049-42-1|8053-00-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020465 https://doi.org/10.22427/NTP-DATA-DTXSID3020465
ARPathway2016 ARPathway2016_215 Diethylstilbestrol 56-53-1 DTXSID3020465 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Diethylstilbestrol 56-53-1|Diethylstilbestrol|(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene|(E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol|(E)-Diethylstilbestrol|4,4'-Dihydroxy-alpha,beta-diethylstilbene|4,4'-Dihydroxy-a,b-diethylstilbene|4,4'-Dihydroxydiethylstilbene|4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, trans-|Agostilben|alpha,alpha'-Diethyl-(E)-4,4'-stilbenediol|alpha,alpha'-Diethylstilbenediol|Antigestil|Bertrol|Bio-des|BRN 2056095|Climaterine|Comestrol|Comestrol estrobene|Cyren A|Dawe's destrol|DES|Di-Estryl|Diaethylstilboestrolum|Diastyl|Dibestrol|Dibestrol '2' premix|DiBestrol 2 Premix|Dicorvin|Diethylstilbesterol|Diethylstilbestrolum|Diethylstilboesterol|dietilestilbestrol|Dietilstilbestrolo|Distilbene|Domestrol|Dyestrol|E-Diethylstilbestrol|EINECS 200-278-5|Estilbin MCO|Estrobene|Estromenin|Estrosyn|Fonatol|Grafestrol|Gynopharm|Hi-Bestrol|Idroestril|Iscovesco|Makarol|Menostilbeen|Micrest|Microest|Milestrol|Neo-Oestranol I|NSC 3070|NSC-3070|Oestrogenine|Oestrol vetag||8026-45-7|8028-09-9|8030-34-0|8049-42-1|8053-00-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020465 https://doi.org/10.22427/NTP-DATA-DTXSID3020465
ARPathway2016 ARPathway2016_215 Diethylstilbestrol 56-53-1 DTXSID3020465 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Diethylstilbestrol 56-53-1|Diethylstilbestrol|(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene|(E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol|(E)-Diethylstilbestrol|4,4'-Dihydroxy-alpha,beta-diethylstilbene|4,4'-Dihydroxy-a,b-diethylstilbene|4,4'-Dihydroxydiethylstilbene|4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, trans-|Agostilben|alpha,alpha'-Diethyl-(E)-4,4'-stilbenediol|alpha,alpha'-Diethylstilbenediol|Antigestil|Bertrol|Bio-des|BRN 2056095|Climaterine|Comestrol|Comestrol estrobene|Cyren A|Dawe's destrol|DES|Di-Estryl|Diaethylstilboestrolum|Diastyl|Dibestrol|Dibestrol '2' premix|DiBestrol 2 Premix|Dicorvin|Diethylstilbesterol|Diethylstilbestrolum|Diethylstilboesterol|dietilestilbestrol|Dietilstilbestrolo|Distilbene|Domestrol|Dyestrol|E-Diethylstilbestrol|EINECS 200-278-5|Estilbin MCO|Estrobene|Estromenin|Estrosyn|Fonatol|Grafestrol|Gynopharm|Hi-Bestrol|Idroestril|Iscovesco|Makarol|Menostilbeen|Micrest|Microest|Milestrol|Neo-Oestranol I|NSC 3070|NSC-3070|Oestrogenine|Oestrol vetag||8026-45-7|8028-09-9|8030-34-0|8049-42-1|8053-00-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020465 https://doi.org/10.22427/NTP-DATA-DTXSID3020465
ARPathway2016 ARPathway2016_215 Diethylstilbestrol 56-53-1 DTXSID3020465 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Diethylstilbestrol 56-53-1|Diethylstilbestrol|(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene|(E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol|(E)-Diethylstilbestrol|4,4'-Dihydroxy-alpha,beta-diethylstilbene|4,4'-Dihydroxy-a,b-diethylstilbene|4,4'-Dihydroxydiethylstilbene|4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, trans-|Agostilben|alpha,alpha'-Diethyl-(E)-4,4'-stilbenediol|alpha,alpha'-Diethylstilbenediol|Antigestil|Bertrol|Bio-des|BRN 2056095|Climaterine|Comestrol|Comestrol estrobene|Cyren A|Dawe's destrol|DES|Di-Estryl|Diaethylstilboestrolum|Diastyl|Dibestrol|Dibestrol '2' premix|DiBestrol 2 Premix|Dicorvin|Diethylstilbesterol|Diethylstilbestrolum|Diethylstilboesterol|dietilestilbestrol|Dietilstilbestrolo|Distilbene|Domestrol|Dyestrol|E-Diethylstilbestrol|EINECS 200-278-5|Estilbin MCO|Estrobene|Estromenin|Estrosyn|Fonatol|Grafestrol|Gynopharm|Hi-Bestrol|Idroestril|Iscovesco|Makarol|Menostilbeen|Micrest|Microest|Milestrol|Neo-Oestranol I|NSC 3070|NSC-3070|Oestrogenine|Oestrol vetag||8026-45-7|8028-09-9|8030-34-0|8049-42-1|8053-00-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020465 https://doi.org/10.22427/NTP-DATA-DTXSID3020465
ERPathway2016 ERPathway2016_147 Diethylstilbestrol 56-53-1 DTXSID3020465 Agonist ER Pathway Model, Antagonist AC50 0.0013993036913091 uM CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Diethylstilbestrol 56-53-1|Diethylstilbestrol|(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene|(E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol|(E)-Diethylstilbestrol|4,4'-Dihydroxy-alpha,beta-diethylstilbene|4,4'-Dihydroxy-a,b-diethylstilbene|4,4'-Dihydroxydiethylstilbene|4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, trans-|Agostilben|alpha,alpha'-Diethyl-(E)-4,4'-stilbenediol|alpha,alpha'-Diethylstilbenediol|Antigestil|Bertrol|Bio-des|BRN 2056095|Climaterine|Comestrol|Comestrol estrobene|Cyren A|Dawe's destrol|DES|Di-Estryl|Diaethylstilboestrolum|Diastyl|Dibestrol|Dibestrol '2' premix|DiBestrol 2 Premix|Dicorvin|Diethylstilbesterol|Diethylstilbestrolum|Diethylstilboesterol|dietilestilbestrol|Dietilstilbestrolo|Distilbene|Domestrol|Dyestrol|E-Diethylstilbestrol|EINECS 200-278-5|Estilbin MCO|Estrobene|Estromenin|Estrosyn|Fonatol|Grafestrol|Gynopharm|Hi-Bestrol|Idroestril|Iscovesco|Makarol|Menostilbeen|Micrest|Microest|Milestrol|Neo-Oestranol I|NSC 3070|NSC-3070|Oestrogenine|Oestrol vetag||8026-45-7|8028-09-9|8030-34-0|8049-42-1|8053-00-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020465 https://doi.org/10.22427/NTP-DATA-DTXSID3020465
ERPathway2016 ERPathway2016_147 Diethylstilbestrol 56-53-1 DTXSID3020465 Agonist ER Pathway Model, Antagonist ACC 0.000315526949766256 uM CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Diethylstilbestrol 56-53-1|Diethylstilbestrol|(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene|(E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol|(E)-Diethylstilbestrol|4,4'-Dihydroxy-alpha,beta-diethylstilbene|4,4'-Dihydroxy-a,b-diethylstilbene|4,4'-Dihydroxydiethylstilbene|4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, trans-|Agostilben|alpha,alpha'-Diethyl-(E)-4,4'-stilbenediol|alpha,alpha'-Diethylstilbenediol|Antigestil|Bertrol|Bio-des|BRN 2056095|Climaterine|Comestrol|Comestrol estrobene|Cyren A|Dawe's destrol|DES|Di-Estryl|Diaethylstilboestrolum|Diastyl|Dibestrol|Dibestrol '2' premix|DiBestrol 2 Premix|Dicorvin|Diethylstilbesterol|Diethylstilbestrolum|Diethylstilboesterol|dietilestilbestrol|Dietilstilbestrolo|Distilbene|Domestrol|Dyestrol|E-Diethylstilbestrol|EINECS 200-278-5|Estilbin MCO|Estrobene|Estromenin|Estrosyn|Fonatol|Grafestrol|Gynopharm|Hi-Bestrol|Idroestril|Iscovesco|Makarol|Menostilbeen|Micrest|Microest|Milestrol|Neo-Oestranol I|NSC 3070|NSC-3070|Oestrogenine|Oestrol vetag||8026-45-7|8028-09-9|8030-34-0|8049-42-1|8053-00-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020465 https://doi.org/10.22427/NTP-DATA-DTXSID3020465
ERPathway2016 ERPathway2016_147 Diethylstilbestrol 56-53-1 DTXSID3020465 Agonist ER Pathway Model, Agonist Model Score 0.943 Unitless CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Diethylstilbestrol 56-53-1|Diethylstilbestrol|(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene|(E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol|(E)-Diethylstilbestrol|4,4'-Dihydroxy-alpha,beta-diethylstilbene|4,4'-Dihydroxy-a,b-diethylstilbene|4,4'-Dihydroxydiethylstilbene|4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, trans-|Agostilben|alpha,alpha'-Diethyl-(E)-4,4'-stilbenediol|alpha,alpha'-Diethylstilbenediol|Antigestil|Bertrol|Bio-des|BRN 2056095|Climaterine|Comestrol|Comestrol estrobene|Cyren A|Dawe's destrol|DES|Di-Estryl|Diaethylstilboestrolum|Diastyl|Dibestrol|Dibestrol '2' premix|DiBestrol 2 Premix|Dicorvin|Diethylstilbesterol|Diethylstilbestrolum|Diethylstilboesterol|dietilestilbestrol|Dietilstilbestrolo|Distilbene|Domestrol|Dyestrol|E-Diethylstilbestrol|EINECS 200-278-5|Estilbin MCO|Estrobene|Estromenin|Estrosyn|Fonatol|Grafestrol|Gynopharm|Hi-Bestrol|Idroestril|Iscovesco|Makarol|Menostilbeen|Micrest|Microest|Milestrol|Neo-Oestranol I|NSC 3070|NSC-3070|Oestrogenine|Oestrol vetag||8026-45-7|8028-09-9|8030-34-0|8049-42-1|8053-00-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020465 https://doi.org/10.22427/NTP-DATA-DTXSID3020465
ERPathway2016 ERPathway2016_147 Diethylstilbestrol 56-53-1 DTXSID3020465 Agonist ER Pathway Model, Antagonist Model Score 0.00992 Unitless CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Diethylstilbestrol 56-53-1|Diethylstilbestrol|(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene|(E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol|(E)-Diethylstilbestrol|4,4'-Dihydroxy-alpha,beta-diethylstilbene|4,4'-Dihydroxy-a,b-diethylstilbene|4,4'-Dihydroxydiethylstilbene|4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, trans-|Agostilben|alpha,alpha'-Diethyl-(E)-4,4'-stilbenediol|alpha,alpha'-Diethylstilbenediol|Antigestil|Bertrol|Bio-des|BRN 2056095|Climaterine|Comestrol|Comestrol estrobene|Cyren A|Dawe's destrol|DES|Di-Estryl|Diaethylstilboestrolum|Diastyl|Dibestrol|Dibestrol '2' premix|DiBestrol 2 Premix|Dicorvin|Diethylstilbesterol|Diethylstilbestrolum|Diethylstilboesterol|dietilestilbestrol|Dietilstilbestrolo|Distilbene|Domestrol|Dyestrol|E-Diethylstilbestrol|EINECS 200-278-5|Estilbin MCO|Estrobene|Estromenin|Estrosyn|Fonatol|Grafestrol|Gynopharm|Hi-Bestrol|Idroestril|Iscovesco|Makarol|Menostilbeen|Micrest|Microest|Milestrol|Neo-Oestranol I|NSC 3070|NSC-3070|Oestrogenine|Oestrol vetag||8026-45-7|8028-09-9|8030-34-0|8049-42-1|8053-00-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020465 https://doi.org/10.22427/NTP-DATA-DTXSID3020465
ERPathway2016 ERPathway2016_147 Diethylstilbestrol 56-53-1 DTXSID3020465 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Diethylstilbestrol 56-53-1|Diethylstilbestrol|(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene|(E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol|(E)-Diethylstilbestrol|4,4'-Dihydroxy-alpha,beta-diethylstilbene|4,4'-Dihydroxy-a,b-diethylstilbene|4,4'-Dihydroxydiethylstilbene|4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, trans-|Agostilben|alpha,alpha'-Diethyl-(E)-4,4'-stilbenediol|alpha,alpha'-Diethylstilbenediol|Antigestil|Bertrol|Bio-des|BRN 2056095|Climaterine|Comestrol|Comestrol estrobene|Cyren A|Dawe's destrol|DES|Di-Estryl|Diaethylstilboestrolum|Diastyl|Dibestrol|Dibestrol '2' premix|DiBestrol 2 Premix|Dicorvin|Diethylstilbesterol|Diethylstilbestrolum|Diethylstilboesterol|dietilestilbestrol|Dietilstilbestrolo|Distilbene|Domestrol|Dyestrol|E-Diethylstilbestrol|EINECS 200-278-5|Estilbin MCO|Estrobene|Estromenin|Estrosyn|Fonatol|Grafestrol|Gynopharm|Hi-Bestrol|Idroestril|Iscovesco|Makarol|Menostilbeen|Micrest|Microest|Milestrol|Neo-Oestranol I|NSC 3070|NSC-3070|Oestrogenine|Oestrol vetag||8026-45-7|8028-09-9|8030-34-0|8049-42-1|8053-00-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020465 https://doi.org/10.22427/NTP-DATA-DTXSID3020465
ERPathway2016 ERPathway2016_147 Diethylstilbestrol 56-53-1 DTXSID3020465 Agonist ER Pathway Model, Antagonist Call Active Unitless CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Diethylstilbestrol 56-53-1|Diethylstilbestrol|(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene|(E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol|(E)-Diethylstilbestrol|4,4'-Dihydroxy-alpha,beta-diethylstilbene|4,4'-Dihydroxy-a,b-diethylstilbene|4,4'-Dihydroxydiethylstilbene|4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, (E)-|4,4'-Stilbenediol, a,a'-diethyl-, trans-|Agostilben|alpha,alpha'-Diethyl-(E)-4,4'-stilbenediol|alpha,alpha'-Diethylstilbenediol|Antigestil|Bertrol|Bio-des|BRN 2056095|Climaterine|Comestrol|Comestrol estrobene|Cyren A|Dawe's destrol|DES|Di-Estryl|Diaethylstilboestrolum|Diastyl|Dibestrol|Dibestrol '2' premix|DiBestrol 2 Premix|Dicorvin|Diethylstilbesterol|Diethylstilbestrolum|Diethylstilboesterol|dietilestilbestrol|Dietilstilbestrolo|Distilbene|Domestrol|Dyestrol|E-Diethylstilbestrol|EINECS 200-278-5|Estilbin MCO|Estrobene|Estromenin|Estrosyn|Fonatol|Grafestrol|Gynopharm|Hi-Bestrol|Idroestril|Iscovesco|Makarol|Menostilbeen|Micrest|Microest|Milestrol|Neo-Oestranol I|NSC 3070|NSC-3070|Oestrogenine|Oestrol vetag||8026-45-7|8028-09-9|8030-34-0|8049-42-1|8053-00-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020465 https://doi.org/10.22427/NTP-DATA-DTXSID3020465
ARPathway2016 ARPathway2016_32 Difenoconazole 119446-68-3 DTXSID4032372 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 15.3000751091629 uM CC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(OC2=CC=C(Cl)C=C2)C=C1 Difenoconazole 119446-68-3|Difenoconazole|1-((2-(2-Chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole|1-[[2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-|BaiJunTong|Bardos Neu|CGA 169374|Difenconazole|Dividend|Dividend (fungicide)|Dragon|HMDB0251255|Plover|Score|Score 10WG|Score EC 250|Sico|1135441-03-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032372
ARPathway2016 ARPathway2016_32 Difenoconazole 119446-68-3 DTXSID4032372 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 13.6795971367822 uM CC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(OC2=CC=C(Cl)C=C2)C=C1 Difenoconazole 119446-68-3|Difenoconazole|1-((2-(2-Chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole|1-[[2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-|BaiJunTong|Bardos Neu|CGA 169374|Difenconazole|Dividend|Dividend (fungicide)|Dragon|HMDB0251255|Plover|Score|Score 10WG|Score EC 250|Sico|1135441-03-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032372
ARPathway2016 ARPathway2016_32 Difenoconazole 119446-68-3 DTXSID4032372 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.162 Unitless CC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(OC2=CC=C(Cl)C=C2)C=C1 Difenoconazole 119446-68-3|Difenoconazole|1-((2-(2-Chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole|1-[[2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-|BaiJunTong|Bardos Neu|CGA 169374|Difenconazole|Dividend|Dividend (fungicide)|Dragon|HMDB0251255|Plover|Score|Score 10WG|Score EC 250|Sico|1135441-03-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032372
ARPathway2016 ARPathway2016_32 Difenoconazole 119446-68-3 DTXSID4032372 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0.00347 Unitless CC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(OC2=CC=C(Cl)C=C2)C=C1 Difenoconazole 119446-68-3|Difenoconazole|1-((2-(2-Chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole|1-[[2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-|BaiJunTong|Bardos Neu|CGA 169374|Difenconazole|Dividend|Dividend (fungicide)|Dragon|HMDB0251255|Plover|Score|Score 10WG|Score EC 250|Sico|1135441-03-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032372
ARPathway2016 ARPathway2016_32 Difenoconazole 119446-68-3 DTXSID4032372 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(OC2=CC=C(Cl)C=C2)C=C1 Difenoconazole 119446-68-3|Difenoconazole|1-((2-(2-Chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole|1-[[2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-|BaiJunTong|Bardos Neu|CGA 169374|Difenconazole|Dividend|Dividend (fungicide)|Dragon|HMDB0251255|Plover|Score|Score 10WG|Score EC 250|Sico|1135441-03-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032372
ARPathway2016 ARPathway2016_32 Difenoconazole 119446-68-3 DTXSID4032372 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(OC2=CC=C(Cl)C=C2)C=C1 Difenoconazole 119446-68-3|Difenoconazole|1-((2-(2-Chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole|1-[[2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-|BaiJunTong|Bardos Neu|CGA 169374|Difenconazole|Dividend|Dividend (fungicide)|Dragon|HMDB0251255|Plover|Score|Score 10WG|Score EC 250|Sico|1135441-03-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032372
ERPathway2016 ERPathway2016_553 Difenoconazole 119446-68-3 DTXSID4032372 R9 ER Pathway Model, Agonist Model Score 0 Unitless CC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(OC2=CC=C(Cl)C=C2)C=C1 Difenoconazole 119446-68-3|Difenoconazole|1-((2-(2-Chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole|1-[[2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-|BaiJunTong|Bardos Neu|CGA 169374|Difenconazole|Dividend|Dividend (fungicide)|Dragon|HMDB0251255|Plover|Score|Score 10WG|Score EC 250|Sico|1135441-03-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032372
ERPathway2016 ERPathway2016_553 Difenoconazole 119446-68-3 DTXSID4032372 R9 ER Pathway Model, Antagonist Model Score 0 Unitless CC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(OC2=CC=C(Cl)C=C2)C=C1 Difenoconazole 119446-68-3|Difenoconazole|1-((2-(2-Chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole|1-[[2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-|BaiJunTong|Bardos Neu|CGA 169374|Difenconazole|Dividend|Dividend (fungicide)|Dragon|HMDB0251255|Plover|Score|Score 10WG|Score EC 250|Sico|1135441-03-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032372
ERPathway2016 ERPathway2016_553 Difenoconazole 119446-68-3 DTXSID4032372 R9 ER Pathway Model, Agonist Call Inactive Unitless CC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(OC2=CC=C(Cl)C=C2)C=C1 Difenoconazole 119446-68-3|Difenoconazole|1-((2-(2-Chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole|1-[[2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-|BaiJunTong|Bardos Neu|CGA 169374|Difenconazole|Dividend|Dividend (fungicide)|Dragon|HMDB0251255|Plover|Score|Score 10WG|Score EC 250|Sico|1135441-03-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032372
ERPathway2016 ERPathway2016_553 Difenoconazole 119446-68-3 DTXSID4032372 R9 ER Pathway Model, Antagonist Call Inactive Unitless CC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(OC2=CC=C(Cl)C=C2)C=C1 Difenoconazole 119446-68-3|Difenoconazole|1-((2-(2-Chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole|1-[[2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-|BaiJunTong|Bardos Neu|CGA 169374|Difenconazole|Dividend|Dividend (fungicide)|Dragon|HMDB0251255|Plover|Score|Score 10WG|Score EC 250|Sico|1135441-03-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032372
ARPathway2016 ARPathway2016_1204 Difenzoquat metilsulfate 43222-48-6 DTXSID6024048 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless COS([O-])(=O)=O.CN1C(=CC(C2=CC=CC=C2)=[N+]1C)C1=CC=CC=C1 Difenzoquat metilsulfate 43222-48-6|Difenzoquat metilsulfate|1,2-Dimethyl-3,5-diphenyl-1H-pyrazolinium methyl sulfate|Caswell No. 363A|CL 84,777|Difenzoquat methyl sulfate|Difenzoquat methyl sulphate|EINECS 256-152-5|EPA Pesticide Chemical Code 106401|Finaven|Yeh-Yan-Ku|216306-41-1|74160-38-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024048
ARPathway2016 ARPathway2016_1204 Difenzoquat metilsulfate 43222-48-6 DTXSID6024048 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless COS([O-])(=O)=O.CN1C(=CC(C2=CC=CC=C2)=[N+]1C)C1=CC=CC=C1 Difenzoquat metilsulfate 43222-48-6|Difenzoquat metilsulfate|1,2-Dimethyl-3,5-diphenyl-1H-pyrazolinium methyl sulfate|Caswell No. 363A|CL 84,777|Difenzoquat methyl sulfate|Difenzoquat methyl sulphate|EINECS 256-152-5|EPA Pesticide Chemical Code 106401|Finaven|Yeh-Yan-Ku|216306-41-1|74160-38-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024048
ARPathway2016 ARPathway2016_1204 Difenzoquat metilsulfate 43222-48-6 DTXSID6024048 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless COS([O-])(=O)=O.CN1C(=CC(C2=CC=CC=C2)=[N+]1C)C1=CC=CC=C1 Difenzoquat metilsulfate 43222-48-6|Difenzoquat metilsulfate|1,2-Dimethyl-3,5-diphenyl-1H-pyrazolinium methyl sulfate|Caswell No. 363A|CL 84,777|Difenzoquat methyl sulfate|Difenzoquat methyl sulphate|EINECS 256-152-5|EPA Pesticide Chemical Code 106401|Finaven|Yeh-Yan-Ku|216306-41-1|74160-38-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024048
ARPathway2016 ARPathway2016_1204 Difenzoquat metilsulfate 43222-48-6 DTXSID6024048 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless COS([O-])(=O)=O.CN1C(=CC(C2=CC=CC=C2)=[N+]1C)C1=CC=CC=C1 Difenzoquat metilsulfate 43222-48-6|Difenzoquat metilsulfate|1,2-Dimethyl-3,5-diphenyl-1H-pyrazolinium methyl sulfate|Caswell No. 363A|CL 84,777|Difenzoquat methyl sulfate|Difenzoquat methyl sulphate|EINECS 256-152-5|EPA Pesticide Chemical Code 106401|Finaven|Yeh-Yan-Ku|216306-41-1|74160-38-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024048
ERPathway2016 ERPathway2016_513 Difenzoquat metilsulfate 43222-48-6 DTXSID6024048 R8 ER Pathway Model, Agonist Model Score 0 Unitless COS([O-])(=O)=O.CN1C(=CC(C2=CC=CC=C2)=[N+]1C)C1=CC=CC=C1 Difenzoquat metilsulfate 43222-48-6|Difenzoquat metilsulfate|1,2-Dimethyl-3,5-diphenyl-1H-pyrazolinium methyl sulfate|Caswell No. 363A|CL 84,777|Difenzoquat methyl sulfate|Difenzoquat methyl sulphate|EINECS 256-152-5|EPA Pesticide Chemical Code 106401|Finaven|Yeh-Yan-Ku|216306-41-1|74160-38-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024048
ERPathway2016 ERPathway2016_513 Difenzoquat metilsulfate 43222-48-6 DTXSID6024048 R8 ER Pathway Model, Antagonist Model Score 0 Unitless COS([O-])(=O)=O.CN1C(=CC(C2=CC=CC=C2)=[N+]1C)C1=CC=CC=C1 Difenzoquat metilsulfate 43222-48-6|Difenzoquat metilsulfate|1,2-Dimethyl-3,5-diphenyl-1H-pyrazolinium methyl sulfate|Caswell No. 363A|CL 84,777|Difenzoquat methyl sulfate|Difenzoquat methyl sulphate|EINECS 256-152-5|EPA Pesticide Chemical Code 106401|Finaven|Yeh-Yan-Ku|216306-41-1|74160-38-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024048
ERPathway2016 ERPathway2016_513 Difenzoquat metilsulfate 43222-48-6 DTXSID6024048 R8 ER Pathway Model, Agonist Call Inactive Unitless COS([O-])(=O)=O.CN1C(=CC(C2=CC=CC=C2)=[N+]1C)C1=CC=CC=C1 Difenzoquat metilsulfate 43222-48-6|Difenzoquat metilsulfate|1,2-Dimethyl-3,5-diphenyl-1H-pyrazolinium methyl sulfate|Caswell No. 363A|CL 84,777|Difenzoquat methyl sulfate|Difenzoquat methyl sulphate|EINECS 256-152-5|EPA Pesticide Chemical Code 106401|Finaven|Yeh-Yan-Ku|216306-41-1|74160-38-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024048
ERPathway2016 ERPathway2016_513 Difenzoquat metilsulfate 43222-48-6 DTXSID6024048 R8 ER Pathway Model, Antagonist Call Inactive Unitless COS([O-])(=O)=O.CN1C(=CC(C2=CC=CC=C2)=[N+]1C)C1=CC=CC=C1 Difenzoquat metilsulfate 43222-48-6|Difenzoquat metilsulfate|1,2-Dimethyl-3,5-diphenyl-1H-pyrazolinium methyl sulfate|Caswell No. 363A|CL 84,777|Difenzoquat methyl sulfate|Difenzoquat methyl sulphate|EINECS 256-152-5|EPA Pesticide Chemical Code 106401|Finaven|Yeh-Yan-Ku|216306-41-1|74160-38-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024048
ARPathway2016 ARPathway2016_1165 Diflubenzuron 35367-38-5 DTXSID1024049 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1 Diflubenzuron 35367-38-5|Diflubenzuron|1-(4-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea|1-(p-chlorophenyl)-3-(2,6-difluorobenzoyl)urea|Astonex|BENZAMIDE, N-[[(4-CHLOROPHENYL)AMINO]CARBONYL]- 2,6-DIFLUORO-|Benzamide, N-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluoro-|BRN 2162461|Caswell No. 346A|Difluron|Dimilin|Dimilin ODC-45|Dimilin WP-25|Duphacid|Duphar PH 60-40|EINECS 252-529-3|EPA Pesticide Chemical Code 108201|Larvakil|Micromite|Minerin|N-(2,6-Difluorobenzoyl)-N'-(4-chlorophenyl)urea|N-(4-Chlorophenylcarbamoyl)-2,6-difluorobenzamide|N-(p-Chlorophenyl)-N'-(2,6-difluorobenzoyl)urea|N-[[(4-Chlorophenyl)amino]carbonyl]-2,6-difluorobenzamide|N-[[(4-Chlorphenyl)amino]carbonyl]-2,6-difluorbenzamid|N-[[(4-clorofenil)amino]carbonil]-2,6-difluorobenzamida|N-{[(4-chlorophenyl)amino]carbonyl}-2,6-difluorobenzamide|Philips-duphar PH 60-40|Rotadin|Suniao-one|Thompson Hayward 6040|Thompson-Hayward 6040|Thompson-hayward TH6040|UNII-J76U6ZSI8D|104790-81-0|51026-04-1|53026-03-2|66594-18-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024049
ARPathway2016 ARPathway2016_1165 Diflubenzuron 35367-38-5 DTXSID1024049 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1 Diflubenzuron 35367-38-5|Diflubenzuron|1-(4-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea|1-(p-chlorophenyl)-3-(2,6-difluorobenzoyl)urea|Astonex|BENZAMIDE, N-[[(4-CHLOROPHENYL)AMINO]CARBONYL]- 2,6-DIFLUORO-|Benzamide, N-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluoro-|BRN 2162461|Caswell No. 346A|Difluron|Dimilin|Dimilin ODC-45|Dimilin WP-25|Duphacid|Duphar PH 60-40|EINECS 252-529-3|EPA Pesticide Chemical Code 108201|Larvakil|Micromite|Minerin|N-(2,6-Difluorobenzoyl)-N'-(4-chlorophenyl)urea|N-(4-Chlorophenylcarbamoyl)-2,6-difluorobenzamide|N-(p-Chlorophenyl)-N'-(2,6-difluorobenzoyl)urea|N-[[(4-Chlorophenyl)amino]carbonyl]-2,6-difluorobenzamide|N-[[(4-Chlorphenyl)amino]carbonyl]-2,6-difluorbenzamid|N-[[(4-clorofenil)amino]carbonil]-2,6-difluorobenzamida|N-{[(4-chlorophenyl)amino]carbonyl}-2,6-difluorobenzamide|Philips-duphar PH 60-40|Rotadin|Suniao-one|Thompson Hayward 6040|Thompson-Hayward 6040|Thompson-hayward TH6040|UNII-J76U6ZSI8D|104790-81-0|51026-04-1|53026-03-2|66594-18-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024049
ARPathway2016 ARPathway2016_1165 Diflubenzuron 35367-38-5 DTXSID1024049 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1 Diflubenzuron 35367-38-5|Diflubenzuron|1-(4-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea|1-(p-chlorophenyl)-3-(2,6-difluorobenzoyl)urea|Astonex|BENZAMIDE, N-[[(4-CHLOROPHENYL)AMINO]CARBONYL]- 2,6-DIFLUORO-|Benzamide, N-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluoro-|BRN 2162461|Caswell No. 346A|Difluron|Dimilin|Dimilin ODC-45|Dimilin WP-25|Duphacid|Duphar PH 60-40|EINECS 252-529-3|EPA Pesticide Chemical Code 108201|Larvakil|Micromite|Minerin|N-(2,6-Difluorobenzoyl)-N'-(4-chlorophenyl)urea|N-(4-Chlorophenylcarbamoyl)-2,6-difluorobenzamide|N-(p-Chlorophenyl)-N'-(2,6-difluorobenzoyl)urea|N-[[(4-Chlorophenyl)amino]carbonyl]-2,6-difluorobenzamide|N-[[(4-Chlorphenyl)amino]carbonyl]-2,6-difluorbenzamid|N-[[(4-clorofenil)amino]carbonil]-2,6-difluorobenzamida|N-{[(4-chlorophenyl)amino]carbonyl}-2,6-difluorobenzamide|Philips-duphar PH 60-40|Rotadin|Suniao-one|Thompson Hayward 6040|Thompson-Hayward 6040|Thompson-hayward TH6040|UNII-J76U6ZSI8D|104790-81-0|51026-04-1|53026-03-2|66594-18-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024049
ARPathway2016 ARPathway2016_1165 Diflubenzuron 35367-38-5 DTXSID1024049 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1 Diflubenzuron 35367-38-5|Diflubenzuron|1-(4-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea|1-(p-chlorophenyl)-3-(2,6-difluorobenzoyl)urea|Astonex|BENZAMIDE, N-[[(4-CHLOROPHENYL)AMINO]CARBONYL]- 2,6-DIFLUORO-|Benzamide, N-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluoro-|BRN 2162461|Caswell No. 346A|Difluron|Dimilin|Dimilin ODC-45|Dimilin WP-25|Duphacid|Duphar PH 60-40|EINECS 252-529-3|EPA Pesticide Chemical Code 108201|Larvakil|Micromite|Minerin|N-(2,6-Difluorobenzoyl)-N'-(4-chlorophenyl)urea|N-(4-Chlorophenylcarbamoyl)-2,6-difluorobenzamide|N-(p-Chlorophenyl)-N'-(2,6-difluorobenzoyl)urea|N-[[(4-Chlorophenyl)amino]carbonyl]-2,6-difluorobenzamide|N-[[(4-Chlorphenyl)amino]carbonyl]-2,6-difluorbenzamid|N-[[(4-clorofenil)amino]carbonil]-2,6-difluorobenzamida|N-{[(4-chlorophenyl)amino]carbonyl}-2,6-difluorobenzamide|Philips-duphar PH 60-40|Rotadin|Suniao-one|Thompson Hayward 6040|Thompson-Hayward 6040|Thompson-hayward TH6040|UNII-J76U6ZSI8D|104790-81-0|51026-04-1|53026-03-2|66594-18-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024049
ERPathway2016 ERPathway2016_996 Diflubenzuron 35367-38-5 DTXSID1024049 ER Pathway Model, Agonist Model Score 0 Unitless FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1 Diflubenzuron 35367-38-5|Diflubenzuron|1-(4-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea|1-(p-chlorophenyl)-3-(2,6-difluorobenzoyl)urea|Astonex|BENZAMIDE, N-[[(4-CHLOROPHENYL)AMINO]CARBONYL]- 2,6-DIFLUORO-|Benzamide, N-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluoro-|BRN 2162461|Caswell No. 346A|Difluron|Dimilin|Dimilin ODC-45|Dimilin WP-25|Duphacid|Duphar PH 60-40|EINECS 252-529-3|EPA Pesticide Chemical Code 108201|Larvakil|Micromite|Minerin|N-(2,6-Difluorobenzoyl)-N'-(4-chlorophenyl)urea|N-(4-Chlorophenylcarbamoyl)-2,6-difluorobenzamide|N-(p-Chlorophenyl)-N'-(2,6-difluorobenzoyl)urea|N-[[(4-Chlorophenyl)amino]carbonyl]-2,6-difluorobenzamide|N-[[(4-Chlorphenyl)amino]carbonyl]-2,6-difluorbenzamid|N-[[(4-clorofenil)amino]carbonil]-2,6-difluorobenzamida|N-{[(4-chlorophenyl)amino]carbonyl}-2,6-difluorobenzamide|Philips-duphar PH 60-40|Rotadin|Suniao-one|Thompson Hayward 6040|Thompson-Hayward 6040|Thompson-hayward TH6040|UNII-J76U6ZSI8D|104790-81-0|51026-04-1|53026-03-2|66594-18-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024049
ERPathway2016 ERPathway2016_996 Diflubenzuron 35367-38-5 DTXSID1024049 ER Pathway Model, Antagonist Model Score 0 Unitless FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1 Diflubenzuron 35367-38-5|Diflubenzuron|1-(4-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea|1-(p-chlorophenyl)-3-(2,6-difluorobenzoyl)urea|Astonex|BENZAMIDE, N-[[(4-CHLOROPHENYL)AMINO]CARBONYL]- 2,6-DIFLUORO-|Benzamide, N-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluoro-|BRN 2162461|Caswell No. 346A|Difluron|Dimilin|Dimilin ODC-45|Dimilin WP-25|Duphacid|Duphar PH 60-40|EINECS 252-529-3|EPA Pesticide Chemical Code 108201|Larvakil|Micromite|Minerin|N-(2,6-Difluorobenzoyl)-N'-(4-chlorophenyl)urea|N-(4-Chlorophenylcarbamoyl)-2,6-difluorobenzamide|N-(p-Chlorophenyl)-N'-(2,6-difluorobenzoyl)urea|N-[[(4-Chlorophenyl)amino]carbonyl]-2,6-difluorobenzamide|N-[[(4-Chlorphenyl)amino]carbonyl]-2,6-difluorbenzamid|N-[[(4-clorofenil)amino]carbonil]-2,6-difluorobenzamida|N-{[(4-chlorophenyl)amino]carbonyl}-2,6-difluorobenzamide|Philips-duphar PH 60-40|Rotadin|Suniao-one|Thompson Hayward 6040|Thompson-Hayward 6040|Thompson-hayward TH6040|UNII-J76U6ZSI8D|104790-81-0|51026-04-1|53026-03-2|66594-18-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024049
ERPathway2016 ERPathway2016_996 Diflubenzuron 35367-38-5 DTXSID1024049 ER Pathway Model, Agonist Call Inactive Unitless FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1 Diflubenzuron 35367-38-5|Diflubenzuron|1-(4-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea|1-(p-chlorophenyl)-3-(2,6-difluorobenzoyl)urea|Astonex|BENZAMIDE, N-[[(4-CHLOROPHENYL)AMINO]CARBONYL]- 2,6-DIFLUORO-|Benzamide, N-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluoro-|BRN 2162461|Caswell No. 346A|Difluron|Dimilin|Dimilin ODC-45|Dimilin WP-25|Duphacid|Duphar PH 60-40|EINECS 252-529-3|EPA Pesticide Chemical Code 108201|Larvakil|Micromite|Minerin|N-(2,6-Difluorobenzoyl)-N'-(4-chlorophenyl)urea|N-(4-Chlorophenylcarbamoyl)-2,6-difluorobenzamide|N-(p-Chlorophenyl)-N'-(2,6-difluorobenzoyl)urea|N-[[(4-Chlorophenyl)amino]carbonyl]-2,6-difluorobenzamide|N-[[(4-Chlorphenyl)amino]carbonyl]-2,6-difluorbenzamid|N-[[(4-clorofenil)amino]carbonil]-2,6-difluorobenzamida|N-{[(4-chlorophenyl)amino]carbonyl}-2,6-difluorobenzamide|Philips-duphar PH 60-40|Rotadin|Suniao-one|Thompson Hayward 6040|Thompson-Hayward 6040|Thompson-hayward TH6040|UNII-J76U6ZSI8D|104790-81-0|51026-04-1|53026-03-2|66594-18-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024049
ERPathway2016 ERPathway2016_996 Diflubenzuron 35367-38-5 DTXSID1024049 ER Pathway Model, Antagonist Call Inactive Unitless FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1 Diflubenzuron 35367-38-5|Diflubenzuron|1-(4-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea|1-(p-chlorophenyl)-3-(2,6-difluorobenzoyl)urea|Astonex|BENZAMIDE, N-[[(4-CHLOROPHENYL)AMINO]CARBONYL]- 2,6-DIFLUORO-|Benzamide, N-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluoro-|BRN 2162461|Caswell No. 346A|Difluron|Dimilin|Dimilin ODC-45|Dimilin WP-25|Duphacid|Duphar PH 60-40|EINECS 252-529-3|EPA Pesticide Chemical Code 108201|Larvakil|Micromite|Minerin|N-(2,6-Difluorobenzoyl)-N'-(4-chlorophenyl)urea|N-(4-Chlorophenylcarbamoyl)-2,6-difluorobenzamide|N-(p-Chlorophenyl)-N'-(2,6-difluorobenzoyl)urea|N-[[(4-Chlorophenyl)amino]carbonyl]-2,6-difluorobenzamide|N-[[(4-Chlorphenyl)amino]carbonyl]-2,6-difluorbenzamid|N-[[(4-clorofenil)amino]carbonil]-2,6-difluorobenzamida|N-{[(4-chlorophenyl)amino]carbonyl}-2,6-difluorobenzamide|Philips-duphar PH 60-40|Rotadin|Suniao-one|Thompson Hayward 6040|Thompson-Hayward 6040|Thompson-hayward TH6040|UNII-J76U6ZSI8D|104790-81-0|51026-04-1|53026-03-2|66594-18-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024049
ARPathway2016 ARPathway2016_886 Difpas-pyrazole 151506-44-4 DTXSID6048175 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(C=C1)S(C)=O)C(F)F Difpas-pyrazole 151506-44-4|Difpas-pyrazole|Difpas-pyrazole|FR140423 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048175
ARPathway2016 ARPathway2016_886 Difpas-pyrazole 151506-44-4 DTXSID6048175 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(C=C1)S(C)=O)C(F)F Difpas-pyrazole 151506-44-4|Difpas-pyrazole|Difpas-pyrazole|FR140423 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048175
ARPathway2016 ARPathway2016_886 Difpas-pyrazole 151506-44-4 DTXSID6048175 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(C=C1)S(C)=O)C(F)F Difpas-pyrazole 151506-44-4|Difpas-pyrazole|Difpas-pyrazole|FR140423 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048175
ARPathway2016 ARPathway2016_886 Difpas-pyrazole 151506-44-4 DTXSID6048175 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(C=C1)S(C)=O)C(F)F Difpas-pyrazole 151506-44-4|Difpas-pyrazole|Difpas-pyrazole|FR140423 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048175
ARPathway2016 ARPathway2016_355 Digoxin 20830-75-5 DTXSID5022934 0.0 A5 AR Pathway Model, Antagonist ACC 2.63586148130892 uM C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C Digoxin 20830-75-5|Digoxin|(3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexapyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide|12beta-Hydroxydigitoxin|12b-Hydroxydigitoxin|3beta,12beta,14-Trihydroxy-5beta,14beta-card-20(22)-enolid-3-tridigitoxosid|4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]-2,5-dihydrofuran-2-oneCardoxin|5-18-04-00381|Acygoxin|BRN 0077011|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)|11000-95-6|36-35-1|39366-41-1|8001-36-3|8001-37-4|8001-52-3|82476-60-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022934
ARPathway2016 ARPathway2016_355 Digoxin 20830-75-5 DTXSID5022934 0.0 A5 AR Pathway Model, Antagonist AC50 0.680105828021658 uM C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C Digoxin 20830-75-5|Digoxin|(3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexapyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide|12beta-Hydroxydigitoxin|12b-Hydroxydigitoxin|3beta,12beta,14-Trihydroxy-5beta,14beta-card-20(22)-enolid-3-tridigitoxosid|4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]-2,5-dihydrofuran-2-oneCardoxin|5-18-04-00381|Acygoxin|BRN 0077011|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)|11000-95-6|36-35-1|39366-41-1|8001-36-3|8001-37-4|8001-52-3|82476-60-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022934
ARPathway2016 ARPathway2016_355 Digoxin 20830-75-5 DTXSID5022934 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C Digoxin 20830-75-5|Digoxin|(3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexapyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide|12beta-Hydroxydigitoxin|12b-Hydroxydigitoxin|3beta,12beta,14-Trihydroxy-5beta,14beta-card-20(22)-enolid-3-tridigitoxosid|4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]-2,5-dihydrofuran-2-oneCardoxin|5-18-04-00381|Acygoxin|BRN 0077011|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)|11000-95-6|36-35-1|39366-41-1|8001-36-3|8001-37-4|8001-52-3|82476-60-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022934
ARPathway2016 ARPathway2016_355 Digoxin 20830-75-5 DTXSID5022934 0.0 A5 AR Pathway Model, Agonist Model Score 0.0257 Unitless C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C Digoxin 20830-75-5|Digoxin|(3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexapyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide|12beta-Hydroxydigitoxin|12b-Hydroxydigitoxin|3beta,12beta,14-Trihydroxy-5beta,14beta-card-20(22)-enolid-3-tridigitoxosid|4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]-2,5-dihydrofuran-2-oneCardoxin|5-18-04-00381|Acygoxin|BRN 0077011|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)|11000-95-6|36-35-1|39366-41-1|8001-36-3|8001-37-4|8001-52-3|82476-60-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022934
ARPathway2016 ARPathway2016_355 Digoxin 20830-75-5 DTXSID5022934 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C Digoxin 20830-75-5|Digoxin|(3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexapyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide|12beta-Hydroxydigitoxin|12b-Hydroxydigitoxin|3beta,12beta,14-Trihydroxy-5beta,14beta-card-20(22)-enolid-3-tridigitoxosid|4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]-2,5-dihydrofuran-2-oneCardoxin|5-18-04-00381|Acygoxin|BRN 0077011|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)|11000-95-6|36-35-1|39366-41-1|8001-36-3|8001-37-4|8001-52-3|82476-60-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022934
ARPathway2016 ARPathway2016_355 Digoxin 20830-75-5 DTXSID5022934 0.0 A5 AR Pathway Model, Antagonist Call Active Unitless C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C Digoxin 20830-75-5|Digoxin|(3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexapyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide|12beta-Hydroxydigitoxin|12b-Hydroxydigitoxin|3beta,12beta,14-Trihydroxy-5beta,14beta-card-20(22)-enolid-3-tridigitoxosid|4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]-2,5-dihydrofuran-2-oneCardoxin|5-18-04-00381|Acygoxin|BRN 0077011|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)|11000-95-6|36-35-1|39366-41-1|8001-36-3|8001-37-4|8001-52-3|82476-60-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022934
ERPathway2016 ERPathway2016_612 Digoxin 20830-75-5 DTXSID5022934 A18 ER Pathway Model, Agonist Model Score 0 Unitless C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C Digoxin 20830-75-5|Digoxin|(3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexapyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide|12beta-Hydroxydigitoxin|12b-Hydroxydigitoxin|3beta,12beta,14-Trihydroxy-5beta,14beta-card-20(22)-enolid-3-tridigitoxosid|4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]-2,5-dihydrofuran-2-oneCardoxin|5-18-04-00381|Acygoxin|BRN 0077011|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)|11000-95-6|36-35-1|39366-41-1|8001-36-3|8001-37-4|8001-52-3|82476-60-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022934
ERPathway2016 ERPathway2016_612 Digoxin 20830-75-5 DTXSID5022934 A18 ER Pathway Model, Antagonist Model Score 0 Unitless C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C Digoxin 20830-75-5|Digoxin|(3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexapyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide|12beta-Hydroxydigitoxin|12b-Hydroxydigitoxin|3beta,12beta,14-Trihydroxy-5beta,14beta-card-20(22)-enolid-3-tridigitoxosid|4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]-2,5-dihydrofuran-2-oneCardoxin|5-18-04-00381|Acygoxin|BRN 0077011|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)|11000-95-6|36-35-1|39366-41-1|8001-36-3|8001-37-4|8001-52-3|82476-60-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022934
ERPathway2016 ERPathway2016_612 Digoxin 20830-75-5 DTXSID5022934 A18 ER Pathway Model, Agonist Call Inactive Unitless C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C Digoxin 20830-75-5|Digoxin|(3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexapyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide|12beta-Hydroxydigitoxin|12b-Hydroxydigitoxin|3beta,12beta,14-Trihydroxy-5beta,14beta-card-20(22)-enolid-3-tridigitoxosid|4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]-2,5-dihydrofuran-2-oneCardoxin|5-18-04-00381|Acygoxin|BRN 0077011|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)|11000-95-6|36-35-1|39366-41-1|8001-36-3|8001-37-4|8001-52-3|82476-60-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022934
ERPathway2016 ERPathway2016_612 Digoxin 20830-75-5 DTXSID5022934 A18 ER Pathway Model, Antagonist Call Inactive Unitless C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C Digoxin 20830-75-5|Digoxin|(3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexapyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide|12beta-Hydroxydigitoxin|12b-Hydroxydigitoxin|3beta,12beta,14-Trihydroxy-5beta,14beta-card-20(22)-enolid-3-tridigitoxosid|4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]-2,5-dihydrofuran-2-oneCardoxin|5-18-04-00381|Acygoxin|BRN 0077011|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-|Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)|11000-95-6|36-35-1|39366-41-1|8001-36-3|8001-37-4|8001-52-3|82476-60-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022934
ARPathway2016 ARPathway2016_543 Dihexyl hexanedioate 110-33-8 DTXSID9026841 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCOC(=O)CCCCC(=O)OCCCCCC Dihexyl hexanedioate 110-33-8|Dihexyl hexanedioate|BRN 1798668|EINECS 203-757-7|Hexanedioic acid, 1,6-dihexyl ester|Hexanedioic acid, dihexyl ester|Plasticizer dihexyl adipate|UNII-H16ECG10GB https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026841
ARPathway2016 ARPathway2016_543 Dihexyl hexanedioate 110-33-8 DTXSID9026841 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCOC(=O)CCCCC(=O)OCCCCCC Dihexyl hexanedioate 110-33-8|Dihexyl hexanedioate|BRN 1798668|EINECS 203-757-7|Hexanedioic acid, 1,6-dihexyl ester|Hexanedioic acid, dihexyl ester|Plasticizer dihexyl adipate|UNII-H16ECG10GB https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026841
ARPathway2016 ARPathway2016_543 Dihexyl hexanedioate 110-33-8 DTXSID9026841 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCOC(=O)CCCCC(=O)OCCCCCC Dihexyl hexanedioate 110-33-8|Dihexyl hexanedioate|BRN 1798668|EINECS 203-757-7|Hexanedioic acid, 1,6-dihexyl ester|Hexanedioic acid, dihexyl ester|Plasticizer dihexyl adipate|UNII-H16ECG10GB https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026841
ARPathway2016 ARPathway2016_543 Dihexyl hexanedioate 110-33-8 DTXSID9026841 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCOC(=O)CCCCC(=O)OCCCCCC Dihexyl hexanedioate 110-33-8|Dihexyl hexanedioate|BRN 1798668|EINECS 203-757-7|Hexanedioic acid, 1,6-dihexyl ester|Hexanedioic acid, dihexyl ester|Plasticizer dihexyl adipate|UNII-H16ECG10GB https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026841
ERPathway2016 ERPathway2016_851 Dihexyl hexanedioate 110-33-8 DTXSID9026841 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCOC(=O)CCCCC(=O)OCCCCCC Dihexyl hexanedioate 110-33-8|Dihexyl hexanedioate|BRN 1798668|EINECS 203-757-7|Hexanedioic acid, 1,6-dihexyl ester|Hexanedioic acid, dihexyl ester|Plasticizer dihexyl adipate|UNII-H16ECG10GB https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026841
ERPathway2016 ERPathway2016_851 Dihexyl hexanedioate 110-33-8 DTXSID9026841 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCOC(=O)CCCCC(=O)OCCCCCC Dihexyl hexanedioate 110-33-8|Dihexyl hexanedioate|BRN 1798668|EINECS 203-757-7|Hexanedioic acid, 1,6-dihexyl ester|Hexanedioic acid, dihexyl ester|Plasticizer dihexyl adipate|UNII-H16ECG10GB https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026841
ERPathway2016 ERPathway2016_851 Dihexyl hexanedioate 110-33-8 DTXSID9026841 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCOC(=O)CCCCC(=O)OCCCCCC Dihexyl hexanedioate 110-33-8|Dihexyl hexanedioate|BRN 1798668|EINECS 203-757-7|Hexanedioic acid, 1,6-dihexyl ester|Hexanedioic acid, dihexyl ester|Plasticizer dihexyl adipate|UNII-H16ECG10GB https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026841
ERPathway2016 ERPathway2016_851 Dihexyl hexanedioate 110-33-8 DTXSID9026841 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCOC(=O)CCCCC(=O)OCCCCCC Dihexyl hexanedioate 110-33-8|Dihexyl hexanedioate|BRN 1798668|EINECS 203-757-7|Hexanedioic acid, 1,6-dihexyl ester|Hexanedioic acid, dihexyl ester|Plasticizer dihexyl adipate|UNII-H16ECG10GB https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026841
ARPathway2016 ARPathway2016_1642 Dihexyl phthalate 84-75-3 DTXSID6025068 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC Dihexyl phthalate 84-75-3|Dihexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dihexyl ester|1,2-Benzenedicarboxylic acid, dihexyl ester|1,2-Benzenedioic acid dihexyl ester|AI3-04274|Bis(n-hexyl) phthalate|BRN 1886839|DHXP|Di-n-hexyl phthalate|Di-n-hexylphthalate|Di(n-hexyl)phthalate|Dihexyl 1,2-benzenedicarboxylate|Dihexylester kyseliny ftalove|EINECS 201-559-5|Hexyl phthalate, 1,2-|N-Dihexyl phthalate|NSC 4817|UNII-42MAH1QFG5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025068 https://doi.org/10.22427/NTP-DATA-DTXSID6025068
ARPathway2016 ARPathway2016_1642 Dihexyl phthalate 84-75-3 DTXSID6025068 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC Dihexyl phthalate 84-75-3|Dihexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dihexyl ester|1,2-Benzenedicarboxylic acid, dihexyl ester|1,2-Benzenedioic acid dihexyl ester|AI3-04274|Bis(n-hexyl) phthalate|BRN 1886839|DHXP|Di-n-hexyl phthalate|Di-n-hexylphthalate|Di(n-hexyl)phthalate|Dihexyl 1,2-benzenedicarboxylate|Dihexylester kyseliny ftalove|EINECS 201-559-5|Hexyl phthalate, 1,2-|N-Dihexyl phthalate|NSC 4817|UNII-42MAH1QFG5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025068 https://doi.org/10.22427/NTP-DATA-DTXSID6025068
ARPathway2016 ARPathway2016_1642 Dihexyl phthalate 84-75-3 DTXSID6025068 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC Dihexyl phthalate 84-75-3|Dihexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dihexyl ester|1,2-Benzenedicarboxylic acid, dihexyl ester|1,2-Benzenedioic acid dihexyl ester|AI3-04274|Bis(n-hexyl) phthalate|BRN 1886839|DHXP|Di-n-hexyl phthalate|Di-n-hexylphthalate|Di(n-hexyl)phthalate|Dihexyl 1,2-benzenedicarboxylate|Dihexylester kyseliny ftalove|EINECS 201-559-5|Hexyl phthalate, 1,2-|N-Dihexyl phthalate|NSC 4817|UNII-42MAH1QFG5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025068 https://doi.org/10.22427/NTP-DATA-DTXSID6025068
ARPathway2016 ARPathway2016_1642 Dihexyl phthalate 84-75-3 DTXSID6025068 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC Dihexyl phthalate 84-75-3|Dihexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dihexyl ester|1,2-Benzenedicarboxylic acid, dihexyl ester|1,2-Benzenedioic acid dihexyl ester|AI3-04274|Bis(n-hexyl) phthalate|BRN 1886839|DHXP|Di-n-hexyl phthalate|Di-n-hexylphthalate|Di(n-hexyl)phthalate|Dihexyl 1,2-benzenedicarboxylate|Dihexylester kyseliny ftalove|EINECS 201-559-5|Hexyl phthalate, 1,2-|N-Dihexyl phthalate|NSC 4817|UNII-42MAH1QFG5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025068 https://doi.org/10.22427/NTP-DATA-DTXSID6025068
ERPathway2016 ERPathway2016_395 Dihexyl phthalate 84-75-3 DTXSID6025068 ER Pathway Model, Antagonist AC50 10.6233179320005 uM CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC Dihexyl phthalate 84-75-3|Dihexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dihexyl ester|1,2-Benzenedicarboxylic acid, dihexyl ester|1,2-Benzenedioic acid dihexyl ester|AI3-04274|Bis(n-hexyl) phthalate|BRN 1886839|DHXP|Di-n-hexyl phthalate|Di-n-hexylphthalate|Di(n-hexyl)phthalate|Dihexyl 1,2-benzenedicarboxylate|Dihexylester kyseliny ftalove|EINECS 201-559-5|Hexyl phthalate, 1,2-|N-Dihexyl phthalate|NSC 4817|UNII-42MAH1QFG5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025068 https://doi.org/10.22427/NTP-DATA-DTXSID6025068
ERPathway2016 ERPathway2016_395 Dihexyl phthalate 84-75-3 DTXSID6025068 ER Pathway Model, Antagonist ACC 41.3673006070091 uM CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC Dihexyl phthalate 84-75-3|Dihexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dihexyl ester|1,2-Benzenedicarboxylic acid, dihexyl ester|1,2-Benzenedioic acid dihexyl ester|AI3-04274|Bis(n-hexyl) phthalate|BRN 1886839|DHXP|Di-n-hexyl phthalate|Di-n-hexylphthalate|Di(n-hexyl)phthalate|Dihexyl 1,2-benzenedicarboxylate|Dihexylester kyseliny ftalove|EINECS 201-559-5|Hexyl phthalate, 1,2-|N-Dihexyl phthalate|NSC 4817|UNII-42MAH1QFG5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025068 https://doi.org/10.22427/NTP-DATA-DTXSID6025068
ERPathway2016 ERPathway2016_395 Dihexyl phthalate 84-75-3 DTXSID6025068 ER Pathway Model, Agonist Model Score 0.00964 Unitless CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC Dihexyl phthalate 84-75-3|Dihexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dihexyl ester|1,2-Benzenedicarboxylic acid, dihexyl ester|1,2-Benzenedioic acid dihexyl ester|AI3-04274|Bis(n-hexyl) phthalate|BRN 1886839|DHXP|Di-n-hexyl phthalate|Di-n-hexylphthalate|Di(n-hexyl)phthalate|Dihexyl 1,2-benzenedicarboxylate|Dihexylester kyseliny ftalove|EINECS 201-559-5|Hexyl phthalate, 1,2-|N-Dihexyl phthalate|NSC 4817|UNII-42MAH1QFG5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025068 https://doi.org/10.22427/NTP-DATA-DTXSID6025068
ERPathway2016 ERPathway2016_395 Dihexyl phthalate 84-75-3 DTXSID6025068 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC Dihexyl phthalate 84-75-3|Dihexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dihexyl ester|1,2-Benzenedicarboxylic acid, dihexyl ester|1,2-Benzenedioic acid dihexyl ester|AI3-04274|Bis(n-hexyl) phthalate|BRN 1886839|DHXP|Di-n-hexyl phthalate|Di-n-hexylphthalate|Di(n-hexyl)phthalate|Dihexyl 1,2-benzenedicarboxylate|Dihexylester kyseliny ftalove|EINECS 201-559-5|Hexyl phthalate, 1,2-|N-Dihexyl phthalate|NSC 4817|UNII-42MAH1QFG5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025068 https://doi.org/10.22427/NTP-DATA-DTXSID6025068
ERPathway2016 ERPathway2016_395 Dihexyl phthalate 84-75-3 DTXSID6025068 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC Dihexyl phthalate 84-75-3|Dihexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dihexyl ester|1,2-Benzenedicarboxylic acid, dihexyl ester|1,2-Benzenedioic acid dihexyl ester|AI3-04274|Bis(n-hexyl) phthalate|BRN 1886839|DHXP|Di-n-hexyl phthalate|Di-n-hexylphthalate|Di(n-hexyl)phthalate|Dihexyl 1,2-benzenedicarboxylate|Dihexylester kyseliny ftalove|EINECS 201-559-5|Hexyl phthalate, 1,2-|N-Dihexyl phthalate|NSC 4817|UNII-42MAH1QFG5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025068 https://doi.org/10.22427/NTP-DATA-DTXSID6025068
ERPathway2016 ERPathway2016_395 Dihexyl phthalate 84-75-3 DTXSID6025068 ER Pathway Model, Antagonist Call Active Unitless CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC Dihexyl phthalate 84-75-3|Dihexyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-dihexyl ester|1,2-Benzenedicarboxylic acid, dihexyl ester|1,2-Benzenedioic acid dihexyl ester|AI3-04274|Bis(n-hexyl) phthalate|BRN 1886839|DHXP|Di-n-hexyl phthalate|Di-n-hexylphthalate|Di(n-hexyl)phthalate|Dihexyl 1,2-benzenedicarboxylate|Dihexylester kyseliny ftalove|EINECS 201-559-5|Hexyl phthalate, 1,2-|N-Dihexyl phthalate|NSC 4817|UNII-42MAH1QFG5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025068 https://doi.org/10.22427/NTP-DATA-DTXSID6025068
ARPathway2016 ARPathway2016_1503 Dihydrojasmone lactone 7011-83-8 DTXSID3041299 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC1(C)CCC(=O)O1 Dihydrojasmone lactone 7011-83-8|Dihydrojasmone lactone|2(3H)-Furanone, 5-hexyldihydro-5-methyl-|4-Hydroxy-4-methyldecanoic acid gamma-lactone|4-Methyldecanolide|5-Hexyldihydro-5-methyl-2(3H)-furanone|BRN 0123344|EINECS 230-291-1|FEMA No. 3786|gamma-Methyl decalactone|gamma-Methyl-gamma-decanolactone|gamma-Methyldecalactone|NSC 141822|UNII-ANJ13KO1RK|124099-86-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041299
ARPathway2016 ARPathway2016_1503 Dihydrojasmone lactone 7011-83-8 DTXSID3041299 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCC1(C)CCC(=O)O1 Dihydrojasmone lactone 7011-83-8|Dihydrojasmone lactone|2(3H)-Furanone, 5-hexyldihydro-5-methyl-|4-Hydroxy-4-methyldecanoic acid gamma-lactone|4-Methyldecanolide|5-Hexyldihydro-5-methyl-2(3H)-furanone|BRN 0123344|EINECS 230-291-1|FEMA No. 3786|gamma-Methyl decalactone|gamma-Methyl-gamma-decanolactone|gamma-Methyldecalactone|NSC 141822|UNII-ANJ13KO1RK|124099-86-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041299
ARPathway2016 ARPathway2016_1503 Dihydrojasmone lactone 7011-83-8 DTXSID3041299 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCC1(C)CCC(=O)O1 Dihydrojasmone lactone 7011-83-8|Dihydrojasmone lactone|2(3H)-Furanone, 5-hexyldihydro-5-methyl-|4-Hydroxy-4-methyldecanoic acid gamma-lactone|4-Methyldecanolide|5-Hexyldihydro-5-methyl-2(3H)-furanone|BRN 0123344|EINECS 230-291-1|FEMA No. 3786|gamma-Methyl decalactone|gamma-Methyl-gamma-decanolactone|gamma-Methyldecalactone|NSC 141822|UNII-ANJ13KO1RK|124099-86-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041299
ARPathway2016 ARPathway2016_1503 Dihydrojasmone lactone 7011-83-8 DTXSID3041299 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCC1(C)CCC(=O)O1 Dihydrojasmone lactone 7011-83-8|Dihydrojasmone lactone|2(3H)-Furanone, 5-hexyldihydro-5-methyl-|4-Hydroxy-4-methyldecanoic acid gamma-lactone|4-Methyldecanolide|5-Hexyldihydro-5-methyl-2(3H)-furanone|BRN 0123344|EINECS 230-291-1|FEMA No. 3786|gamma-Methyl decalactone|gamma-Methyl-gamma-decanolactone|gamma-Methyldecalactone|NSC 141822|UNII-ANJ13KO1RK|124099-86-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041299
ERPathway2016 ERPathway2016_1622 Dihydrojasmone lactone 7011-83-8 DTXSID3041299 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCC1(C)CCC(=O)O1 Dihydrojasmone lactone 7011-83-8|Dihydrojasmone lactone|2(3H)-Furanone, 5-hexyldihydro-5-methyl-|4-Hydroxy-4-methyldecanoic acid gamma-lactone|4-Methyldecanolide|5-Hexyldihydro-5-methyl-2(3H)-furanone|BRN 0123344|EINECS 230-291-1|FEMA No. 3786|gamma-Methyl decalactone|gamma-Methyl-gamma-decanolactone|gamma-Methyldecalactone|NSC 141822|UNII-ANJ13KO1RK|124099-86-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041299
ERPathway2016 ERPathway2016_1622 Dihydrojasmone lactone 7011-83-8 DTXSID3041299 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC1(C)CCC(=O)O1 Dihydrojasmone lactone 7011-83-8|Dihydrojasmone lactone|2(3H)-Furanone, 5-hexyldihydro-5-methyl-|4-Hydroxy-4-methyldecanoic acid gamma-lactone|4-Methyldecanolide|5-Hexyldihydro-5-methyl-2(3H)-furanone|BRN 0123344|EINECS 230-291-1|FEMA No. 3786|gamma-Methyl decalactone|gamma-Methyl-gamma-decanolactone|gamma-Methyldecalactone|NSC 141822|UNII-ANJ13KO1RK|124099-86-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041299
ERPathway2016 ERPathway2016_1622 Dihydrojasmone lactone 7011-83-8 DTXSID3041299 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCC1(C)CCC(=O)O1 Dihydrojasmone lactone 7011-83-8|Dihydrojasmone lactone|2(3H)-Furanone, 5-hexyldihydro-5-methyl-|4-Hydroxy-4-methyldecanoic acid gamma-lactone|4-Methyldecanolide|5-Hexyldihydro-5-methyl-2(3H)-furanone|BRN 0123344|EINECS 230-291-1|FEMA No. 3786|gamma-Methyl decalactone|gamma-Methyl-gamma-decanolactone|gamma-Methyldecalactone|NSC 141822|UNII-ANJ13KO1RK|124099-86-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041299
ERPathway2016 ERPathway2016_1622 Dihydrojasmone lactone 7011-83-8 DTXSID3041299 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCC1(C)CCC(=O)O1 Dihydrojasmone lactone 7011-83-8|Dihydrojasmone lactone|2(3H)-Furanone, 5-hexyldihydro-5-methyl-|4-Hydroxy-4-methyldecanoic acid gamma-lactone|4-Methyldecanolide|5-Hexyldihydro-5-methyl-2(3H)-furanone|BRN 0123344|EINECS 230-291-1|FEMA No. 3786|gamma-Methyl decalactone|gamma-Methyl-gamma-decanolactone|gamma-Methyldecalactone|NSC 141822|UNII-ANJ13KO1RK|124099-86-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041299
ARPathway2016 ARPathway2016_1287 Dihydromyrcenol 53219-21-9 DTXSID6041557 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Dihydromyrcenol 53219-21-9|Dihydromyrcenol|7-Octen-2-ol, 2-methyl-6-methylene-, dihydro deriv.|EINECS 258-432-2|Myrcenol, dihydro https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041557
ARPathway2016 ARPathway2016_1287 Dihydromyrcenol 53219-21-9 DTXSID6041557 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Dihydromyrcenol 53219-21-9|Dihydromyrcenol|7-Octen-2-ol, 2-methyl-6-methylene-, dihydro deriv.|EINECS 258-432-2|Myrcenol, dihydro https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041557
ARPathway2016 ARPathway2016_1287 Dihydromyrcenol 53219-21-9 DTXSID6041557 0.0 AR Pathway Model, Agonist Call Inactive Unitless Dihydromyrcenol 53219-21-9|Dihydromyrcenol|7-Octen-2-ol, 2-methyl-6-methylene-, dihydro deriv.|EINECS 258-432-2|Myrcenol, dihydro https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041557
ARPathway2016 ARPathway2016_1287 Dihydromyrcenol 53219-21-9 DTXSID6041557 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Dihydromyrcenol 53219-21-9|Dihydromyrcenol|7-Octen-2-ol, 2-methyl-6-methylene-, dihydro deriv.|EINECS 258-432-2|Myrcenol, dihydro https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041557
ERPathway2016 ERPathway2016_1516 Dihydromyrcenol 53219-21-9 DTXSID6041557 ER Pathway Model, Agonist Model Score 0 Unitless Dihydromyrcenol 53219-21-9|Dihydromyrcenol|7-Octen-2-ol, 2-methyl-6-methylene-, dihydro deriv.|EINECS 258-432-2|Myrcenol, dihydro https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041557
ERPathway2016 ERPathway2016_1516 Dihydromyrcenol 53219-21-9 DTXSID6041557 ER Pathway Model, Antagonist Model Score 0 Unitless Dihydromyrcenol 53219-21-9|Dihydromyrcenol|7-Octen-2-ol, 2-methyl-6-methylene-, dihydro deriv.|EINECS 258-432-2|Myrcenol, dihydro https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041557
ERPathway2016 ERPathway2016_1516 Dihydromyrcenol 53219-21-9 DTXSID6041557 ER Pathway Model, Agonist Call Inactive Unitless Dihydromyrcenol 53219-21-9|Dihydromyrcenol|7-Octen-2-ol, 2-methyl-6-methylene-, dihydro deriv.|EINECS 258-432-2|Myrcenol, dihydro https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041557
ERPathway2016 ERPathway2016_1516 Dihydromyrcenol 53219-21-9 DTXSID6041557 ER Pathway Model, Antagonist Call Inactive Unitless Dihydromyrcenol 53219-21-9|Dihydromyrcenol|7-Octen-2-ol, 2-methyl-6-methylene-, dihydro deriv.|EINECS 258-432-2|Myrcenol, dihydro https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041557
ARPathway2016 ARPathway2016_833 Diisobutyl adipate 141-04-8 DTXSID9036690 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)COC(=O)CCCCC(=O)OCC(C)C Diisobutyl adipate 141-04-8|Diisobutyl adipate|4-02-00-01962|Adipate de diisobutyle|ADIPATE, DIISOBUTYL|adipato de diisobutilo|Adipic acid bis(2-methylpropyl) ester|Adipic acid di-iso-butyl ester|Adipic acid, diisobutyl ester|ADIPINSAEURE-DIISOBUTYLESTER|BRN 1791084|Diisobutyladipat|EINECS 205-450-3|Ftaflex DIBA|Hexanedioic acid bis(2-methylpropyl) ester|Hexanedioic acid, 1,6-bis(2-methylpropyl) ester|Hexanedioic acid, bis (2-methylpropyl) ester|Hexanedioic acid, bis(2-methylpropyl) ester|HEXANEDIOIC ACID, BIS(2-METHYLPROPYL)ESTER|Isobutyl adipate|KAK-DIBA|NSC 6343|Plasthall DIBA|UNII-8OPY05ZY7S|Vinycizer 40|53659-85-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036690
ARPathway2016 ARPathway2016_833 Diisobutyl adipate 141-04-8 DTXSID9036690 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)COC(=O)CCCCC(=O)OCC(C)C Diisobutyl adipate 141-04-8|Diisobutyl adipate|4-02-00-01962|Adipate de diisobutyle|ADIPATE, DIISOBUTYL|adipato de diisobutilo|Adipic acid bis(2-methylpropyl) ester|Adipic acid di-iso-butyl ester|Adipic acid, diisobutyl ester|ADIPINSAEURE-DIISOBUTYLESTER|BRN 1791084|Diisobutyladipat|EINECS 205-450-3|Ftaflex DIBA|Hexanedioic acid bis(2-methylpropyl) ester|Hexanedioic acid, 1,6-bis(2-methylpropyl) ester|Hexanedioic acid, bis (2-methylpropyl) ester|Hexanedioic acid, bis(2-methylpropyl) ester|HEXANEDIOIC ACID, BIS(2-METHYLPROPYL)ESTER|Isobutyl adipate|KAK-DIBA|NSC 6343|Plasthall DIBA|UNII-8OPY05ZY7S|Vinycizer 40|53659-85-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036690
ARPathway2016 ARPathway2016_833 Diisobutyl adipate 141-04-8 DTXSID9036690 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)COC(=O)CCCCC(=O)OCC(C)C Diisobutyl adipate 141-04-8|Diisobutyl adipate|4-02-00-01962|Adipate de diisobutyle|ADIPATE, DIISOBUTYL|adipato de diisobutilo|Adipic acid bis(2-methylpropyl) ester|Adipic acid di-iso-butyl ester|Adipic acid, diisobutyl ester|ADIPINSAEURE-DIISOBUTYLESTER|BRN 1791084|Diisobutyladipat|EINECS 205-450-3|Ftaflex DIBA|Hexanedioic acid bis(2-methylpropyl) ester|Hexanedioic acid, 1,6-bis(2-methylpropyl) ester|Hexanedioic acid, bis (2-methylpropyl) ester|Hexanedioic acid, bis(2-methylpropyl) ester|HEXANEDIOIC ACID, BIS(2-METHYLPROPYL)ESTER|Isobutyl adipate|KAK-DIBA|NSC 6343|Plasthall DIBA|UNII-8OPY05ZY7S|Vinycizer 40|53659-85-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036690
ARPathway2016 ARPathway2016_833 Diisobutyl adipate 141-04-8 DTXSID9036690 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)COC(=O)CCCCC(=O)OCC(C)C Diisobutyl adipate 141-04-8|Diisobutyl adipate|4-02-00-01962|Adipate de diisobutyle|ADIPATE, DIISOBUTYL|adipato de diisobutilo|Adipic acid bis(2-methylpropyl) ester|Adipic acid di-iso-butyl ester|Adipic acid, diisobutyl ester|ADIPINSAEURE-DIISOBUTYLESTER|BRN 1791084|Diisobutyladipat|EINECS 205-450-3|Ftaflex DIBA|Hexanedioic acid bis(2-methylpropyl) ester|Hexanedioic acid, 1,6-bis(2-methylpropyl) ester|Hexanedioic acid, bis (2-methylpropyl) ester|Hexanedioic acid, bis(2-methylpropyl) ester|HEXANEDIOIC ACID, BIS(2-METHYLPROPYL)ESTER|Isobutyl adipate|KAK-DIBA|NSC 6343|Plasthall DIBA|UNII-8OPY05ZY7S|Vinycizer 40|53659-85-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036690
ERPathway2016 ERPathway2016_752 Diisobutyl adipate 141-04-8 DTXSID9036690 A13 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)COC(=O)CCCCC(=O)OCC(C)C Diisobutyl adipate 141-04-8|Diisobutyl adipate|4-02-00-01962|Adipate de diisobutyle|ADIPATE, DIISOBUTYL|adipato de diisobutilo|Adipic acid bis(2-methylpropyl) ester|Adipic acid di-iso-butyl ester|Adipic acid, diisobutyl ester|ADIPINSAEURE-DIISOBUTYLESTER|BRN 1791084|Diisobutyladipat|EINECS 205-450-3|Ftaflex DIBA|Hexanedioic acid bis(2-methylpropyl) ester|Hexanedioic acid, 1,6-bis(2-methylpropyl) ester|Hexanedioic acid, bis (2-methylpropyl) ester|Hexanedioic acid, bis(2-methylpropyl) ester|HEXANEDIOIC ACID, BIS(2-METHYLPROPYL)ESTER|Isobutyl adipate|KAK-DIBA|NSC 6343|Plasthall DIBA|UNII-8OPY05ZY7S|Vinycizer 40|53659-85-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036690
ERPathway2016 ERPathway2016_752 Diisobutyl adipate 141-04-8 DTXSID9036690 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)COC(=O)CCCCC(=O)OCC(C)C Diisobutyl adipate 141-04-8|Diisobutyl adipate|4-02-00-01962|Adipate de diisobutyle|ADIPATE, DIISOBUTYL|adipato de diisobutilo|Adipic acid bis(2-methylpropyl) ester|Adipic acid di-iso-butyl ester|Adipic acid, diisobutyl ester|ADIPINSAEURE-DIISOBUTYLESTER|BRN 1791084|Diisobutyladipat|EINECS 205-450-3|Ftaflex DIBA|Hexanedioic acid bis(2-methylpropyl) ester|Hexanedioic acid, 1,6-bis(2-methylpropyl) ester|Hexanedioic acid, bis (2-methylpropyl) ester|Hexanedioic acid, bis(2-methylpropyl) ester|HEXANEDIOIC ACID, BIS(2-METHYLPROPYL)ESTER|Isobutyl adipate|KAK-DIBA|NSC 6343|Plasthall DIBA|UNII-8OPY05ZY7S|Vinycizer 40|53659-85-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036690
ERPathway2016 ERPathway2016_752 Diisobutyl adipate 141-04-8 DTXSID9036690 A13 ER Pathway Model, Agonist Call Inactive Unitless CC(C)COC(=O)CCCCC(=O)OCC(C)C Diisobutyl adipate 141-04-8|Diisobutyl adipate|4-02-00-01962|Adipate de diisobutyle|ADIPATE, DIISOBUTYL|adipato de diisobutilo|Adipic acid bis(2-methylpropyl) ester|Adipic acid di-iso-butyl ester|Adipic acid, diisobutyl ester|ADIPINSAEURE-DIISOBUTYLESTER|BRN 1791084|Diisobutyladipat|EINECS 205-450-3|Ftaflex DIBA|Hexanedioic acid bis(2-methylpropyl) ester|Hexanedioic acid, 1,6-bis(2-methylpropyl) ester|Hexanedioic acid, bis (2-methylpropyl) ester|Hexanedioic acid, bis(2-methylpropyl) ester|HEXANEDIOIC ACID, BIS(2-METHYLPROPYL)ESTER|Isobutyl adipate|KAK-DIBA|NSC 6343|Plasthall DIBA|UNII-8OPY05ZY7S|Vinycizer 40|53659-85-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036690
ERPathway2016 ERPathway2016_752 Diisobutyl adipate 141-04-8 DTXSID9036690 A13 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)COC(=O)CCCCC(=O)OCC(C)C Diisobutyl adipate 141-04-8|Diisobutyl adipate|4-02-00-01962|Adipate de diisobutyle|ADIPATE, DIISOBUTYL|adipato de diisobutilo|Adipic acid bis(2-methylpropyl) ester|Adipic acid di-iso-butyl ester|Adipic acid, diisobutyl ester|ADIPINSAEURE-DIISOBUTYLESTER|BRN 1791084|Diisobutyladipat|EINECS 205-450-3|Ftaflex DIBA|Hexanedioic acid bis(2-methylpropyl) ester|Hexanedioic acid, 1,6-bis(2-methylpropyl) ester|Hexanedioic acid, bis (2-methylpropyl) ester|Hexanedioic acid, bis(2-methylpropyl) ester|HEXANEDIOIC ACID, BIS(2-METHYLPROPYL)ESTER|Isobutyl adipate|KAK-DIBA|NSC 6343|Plasthall DIBA|UNII-8OPY05ZY7S|Vinycizer 40|53659-85-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036690
ARPathway2016 ARPathway2016_519 Diisobutyl ketone 108-83-8 DTXSID4025080 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)CC(=O)CC(C)C Diisobutyl ketone 108-83-8|Diisobutyl ketone|2,6-DIMETHYL-4-HEPTANON|2,6-DIMETHYL-4-HEPTANONE|2,6-Dimethyl-heptan-4-on|2,6-Dimethylheptan-4-on|2,6-Dimethylheptan-4-one|2,6-dimethylheptane-4-one|2,6-Dimethylheptanone|2,6-Dimetil-eptan-4-one|2,6-dimetilheptan-4-ona|4-01-00-03360|4-Heptanone, 2,6-dimethyl-|BRN 1743163|Caswell No. 355B|Di-isobutylcetone|Diisobutilchetone|Diisobutylketon|Diisobutylketone|Diisobutylketone (4-Heptanone, 2,6-dimethyl-)|EINECS 203-620-1|FEMA No. 3537|HEPTAN-4-ONE, 2,6-DIMETHYL-|Isobutyl ketone|Isovalerone|NSC 15136|NSC 406913|s-Diisopropylacetone|sec-Diisopropyl acetone|sym-Diisopropylacetone|UN 1157|UNII-V52W30H1BU|Valerone|958635-42-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025080 https://doi.org/10.22427/NTP-DATA-DTXSID4025080
ARPathway2016 ARPathway2016_519 Diisobutyl ketone 108-83-8 DTXSID4025080 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)CC(=O)CC(C)C Diisobutyl ketone 108-83-8|Diisobutyl ketone|2,6-DIMETHYL-4-HEPTANON|2,6-DIMETHYL-4-HEPTANONE|2,6-Dimethyl-heptan-4-on|2,6-Dimethylheptan-4-on|2,6-Dimethylheptan-4-one|2,6-dimethylheptane-4-one|2,6-Dimethylheptanone|2,6-Dimetil-eptan-4-one|2,6-dimetilheptan-4-ona|4-01-00-03360|4-Heptanone, 2,6-dimethyl-|BRN 1743163|Caswell No. 355B|Di-isobutylcetone|Diisobutilchetone|Diisobutylketon|Diisobutylketone|Diisobutylketone (4-Heptanone, 2,6-dimethyl-)|EINECS 203-620-1|FEMA No. 3537|HEPTAN-4-ONE, 2,6-DIMETHYL-|Isobutyl ketone|Isovalerone|NSC 15136|NSC 406913|s-Diisopropylacetone|sec-Diisopropyl acetone|sym-Diisopropylacetone|UN 1157|UNII-V52W30H1BU|Valerone|958635-42-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025080 https://doi.org/10.22427/NTP-DATA-DTXSID4025080
ARPathway2016 ARPathway2016_519 Diisobutyl ketone 108-83-8 DTXSID4025080 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)CC(=O)CC(C)C Diisobutyl ketone 108-83-8|Diisobutyl ketone|2,6-DIMETHYL-4-HEPTANON|2,6-DIMETHYL-4-HEPTANONE|2,6-Dimethyl-heptan-4-on|2,6-Dimethylheptan-4-on|2,6-Dimethylheptan-4-one|2,6-dimethylheptane-4-one|2,6-Dimethylheptanone|2,6-Dimetil-eptan-4-one|2,6-dimetilheptan-4-ona|4-01-00-03360|4-Heptanone, 2,6-dimethyl-|BRN 1743163|Caswell No. 355B|Di-isobutylcetone|Diisobutilchetone|Diisobutylketon|Diisobutylketone|Diisobutylketone (4-Heptanone, 2,6-dimethyl-)|EINECS 203-620-1|FEMA No. 3537|HEPTAN-4-ONE, 2,6-DIMETHYL-|Isobutyl ketone|Isovalerone|NSC 15136|NSC 406913|s-Diisopropylacetone|sec-Diisopropyl acetone|sym-Diisopropylacetone|UN 1157|UNII-V52W30H1BU|Valerone|958635-42-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025080 https://doi.org/10.22427/NTP-DATA-DTXSID4025080
ARPathway2016 ARPathway2016_519 Diisobutyl ketone 108-83-8 DTXSID4025080 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)CC(=O)CC(C)C Diisobutyl ketone 108-83-8|Diisobutyl ketone|2,6-DIMETHYL-4-HEPTANON|2,6-DIMETHYL-4-HEPTANONE|2,6-Dimethyl-heptan-4-on|2,6-Dimethylheptan-4-on|2,6-Dimethylheptan-4-one|2,6-dimethylheptane-4-one|2,6-Dimethylheptanone|2,6-Dimetil-eptan-4-one|2,6-dimetilheptan-4-ona|4-01-00-03360|4-Heptanone, 2,6-dimethyl-|BRN 1743163|Caswell No. 355B|Di-isobutylcetone|Diisobutilchetone|Diisobutylketon|Diisobutylketone|Diisobutylketone (4-Heptanone, 2,6-dimethyl-)|EINECS 203-620-1|FEMA No. 3537|HEPTAN-4-ONE, 2,6-DIMETHYL-|Isobutyl ketone|Isovalerone|NSC 15136|NSC 406913|s-Diisopropylacetone|sec-Diisopropyl acetone|sym-Diisopropylacetone|UN 1157|UNII-V52W30H1BU|Valerone|958635-42-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025080 https://doi.org/10.22427/NTP-DATA-DTXSID4025080
ERPathway2016 ERPathway2016_703 Diisobutyl ketone 108-83-8 DTXSID4025080 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)CC(=O)CC(C)C Diisobutyl ketone 108-83-8|Diisobutyl ketone|2,6-DIMETHYL-4-HEPTANON|2,6-DIMETHYL-4-HEPTANONE|2,6-Dimethyl-heptan-4-on|2,6-Dimethylheptan-4-on|2,6-Dimethylheptan-4-one|2,6-dimethylheptane-4-one|2,6-Dimethylheptanone|2,6-Dimetil-eptan-4-one|2,6-dimetilheptan-4-ona|4-01-00-03360|4-Heptanone, 2,6-dimethyl-|BRN 1743163|Caswell No. 355B|Di-isobutylcetone|Diisobutilchetone|Diisobutylketon|Diisobutylketone|Diisobutylketone (4-Heptanone, 2,6-dimethyl-)|EINECS 203-620-1|FEMA No. 3537|HEPTAN-4-ONE, 2,6-DIMETHYL-|Isobutyl ketone|Isovalerone|NSC 15136|NSC 406913|s-Diisopropylacetone|sec-Diisopropyl acetone|sym-Diisopropylacetone|UN 1157|UNII-V52W30H1BU|Valerone|958635-42-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025080 https://doi.org/10.22427/NTP-DATA-DTXSID4025080
ERPathway2016 ERPathway2016_703 Diisobutyl ketone 108-83-8 DTXSID4025080 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)CC(=O)CC(C)C Diisobutyl ketone 108-83-8|Diisobutyl ketone|2,6-DIMETHYL-4-HEPTANON|2,6-DIMETHYL-4-HEPTANONE|2,6-Dimethyl-heptan-4-on|2,6-Dimethylheptan-4-on|2,6-Dimethylheptan-4-one|2,6-dimethylheptane-4-one|2,6-Dimethylheptanone|2,6-Dimetil-eptan-4-one|2,6-dimetilheptan-4-ona|4-01-00-03360|4-Heptanone, 2,6-dimethyl-|BRN 1743163|Caswell No. 355B|Di-isobutylcetone|Diisobutilchetone|Diisobutylketon|Diisobutylketone|Diisobutylketone (4-Heptanone, 2,6-dimethyl-)|EINECS 203-620-1|FEMA No. 3537|HEPTAN-4-ONE, 2,6-DIMETHYL-|Isobutyl ketone|Isovalerone|NSC 15136|NSC 406913|s-Diisopropylacetone|sec-Diisopropyl acetone|sym-Diisopropylacetone|UN 1157|UNII-V52W30H1BU|Valerone|958635-42-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025080 https://doi.org/10.22427/NTP-DATA-DTXSID4025080
ERPathway2016 ERPathway2016_703 Diisobutyl ketone 108-83-8 DTXSID4025080 ER Pathway Model, Agonist Call Inactive Unitless CC(C)CC(=O)CC(C)C Diisobutyl ketone 108-83-8|Diisobutyl ketone|2,6-DIMETHYL-4-HEPTANON|2,6-DIMETHYL-4-HEPTANONE|2,6-Dimethyl-heptan-4-on|2,6-Dimethylheptan-4-on|2,6-Dimethylheptan-4-one|2,6-dimethylheptane-4-one|2,6-Dimethylheptanone|2,6-Dimetil-eptan-4-one|2,6-dimetilheptan-4-ona|4-01-00-03360|4-Heptanone, 2,6-dimethyl-|BRN 1743163|Caswell No. 355B|Di-isobutylcetone|Diisobutilchetone|Diisobutylketon|Diisobutylketone|Diisobutylketone (4-Heptanone, 2,6-dimethyl-)|EINECS 203-620-1|FEMA No. 3537|HEPTAN-4-ONE, 2,6-DIMETHYL-|Isobutyl ketone|Isovalerone|NSC 15136|NSC 406913|s-Diisopropylacetone|sec-Diisopropyl acetone|sym-Diisopropylacetone|UN 1157|UNII-V52W30H1BU|Valerone|958635-42-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025080 https://doi.org/10.22427/NTP-DATA-DTXSID4025080
ERPathway2016 ERPathway2016_703 Diisobutyl ketone 108-83-8 DTXSID4025080 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)CC(=O)CC(C)C Diisobutyl ketone 108-83-8|Diisobutyl ketone|2,6-DIMETHYL-4-HEPTANON|2,6-DIMETHYL-4-HEPTANONE|2,6-Dimethyl-heptan-4-on|2,6-Dimethylheptan-4-on|2,6-Dimethylheptan-4-one|2,6-dimethylheptane-4-one|2,6-Dimethylheptanone|2,6-Dimetil-eptan-4-one|2,6-dimetilheptan-4-ona|4-01-00-03360|4-Heptanone, 2,6-dimethyl-|BRN 1743163|Caswell No. 355B|Di-isobutylcetone|Diisobutilchetone|Diisobutylketon|Diisobutylketone|Diisobutylketone (4-Heptanone, 2,6-dimethyl-)|EINECS 203-620-1|FEMA No. 3537|HEPTAN-4-ONE, 2,6-DIMETHYL-|Isobutyl ketone|Isovalerone|NSC 15136|NSC 406913|s-Diisopropylacetone|sec-Diisopropyl acetone|sym-Diisopropylacetone|UN 1157|UNII-V52W30H1BU|Valerone|958635-42-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025080 https://doi.org/10.22427/NTP-DATA-DTXSID4025080
ARPathway2016 ARPathway2016_1640 Diisobutyl phthalate 84-69-5 DTXSID9022522 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C Diisobutyl phthalate 84-69-5|Diisobutyl phthalate|1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester|1,2-benzenedicarboxylic acid di(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid diisobutyl ester|1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, bis-(2-methoxypropyl)ester|1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, di(2-methylpropyl) ester|1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate|4-09-00-03177|AI3-04278|bis(2-methylpropyl) phthalate|BRN 2054802|di-2-methylpropyl phthalate|Di-iso-Butyl phthalate|di-l-butyl phthalate|Di(2-methylpropyl) phthalate|di(i-butyl)phthalate|Di(isobutyl) 1,2-benzenedicarboxylate|Di(isobutyl)-1,2-benzenedicarboxylate|DIBP|Diisobutyl phthalate (ACD/Name 4.0)|Diisobutylester kyseliny ftalove|Diisobutylphthalat|EINECS 201-553-2|ftalato de diisobutilo|Hatcol DIBP|Hexaplas M/1B|Isobutyl phthalate|Isobutyl phthalate (VAN)|isobutyl-o-phthalate|Kodaflex DIBP|NSC 15316|Palatinol IC|Phtalate de diisobutyle|PHTHALATE, DIISOBUTYL|Phthalic acic, diiso https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022522 https://doi.org/10.22427/NTP-DATA-DTXSID9022522
ARPathway2016 ARPathway2016_1640 Diisobutyl phthalate 84-69-5 DTXSID9022522 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C Diisobutyl phthalate 84-69-5|Diisobutyl phthalate|1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester|1,2-benzenedicarboxylic acid di(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid diisobutyl ester|1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, bis-(2-methoxypropyl)ester|1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, di(2-methylpropyl) ester|1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate|4-09-00-03177|AI3-04278|bis(2-methylpropyl) phthalate|BRN 2054802|di-2-methylpropyl phthalate|Di-iso-Butyl phthalate|di-l-butyl phthalate|Di(2-methylpropyl) phthalate|di(i-butyl)phthalate|Di(isobutyl) 1,2-benzenedicarboxylate|Di(isobutyl)-1,2-benzenedicarboxylate|DIBP|Diisobutyl phthalate (ACD/Name 4.0)|Diisobutylester kyseliny ftalove|Diisobutylphthalat|EINECS 201-553-2|ftalato de diisobutilo|Hatcol DIBP|Hexaplas M/1B|Isobutyl phthalate|Isobutyl phthalate (VAN)|isobutyl-o-phthalate|Kodaflex DIBP|NSC 15316|Palatinol IC|Phtalate de diisobutyle|PHTHALATE, DIISOBUTYL|Phthalic acic, diiso https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022522 https://doi.org/10.22427/NTP-DATA-DTXSID9022522
ARPathway2016 ARPathway2016_1640 Diisobutyl phthalate 84-69-5 DTXSID9022522 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CC(C)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C Diisobutyl phthalate 84-69-5|Diisobutyl phthalate|1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester|1,2-benzenedicarboxylic acid di(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid diisobutyl ester|1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, bis-(2-methoxypropyl)ester|1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, di(2-methylpropyl) ester|1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate|4-09-00-03177|AI3-04278|bis(2-methylpropyl) phthalate|BRN 2054802|di-2-methylpropyl phthalate|Di-iso-Butyl phthalate|di-l-butyl phthalate|Di(2-methylpropyl) phthalate|di(i-butyl)phthalate|Di(isobutyl) 1,2-benzenedicarboxylate|Di(isobutyl)-1,2-benzenedicarboxylate|DIBP|Diisobutyl phthalate (ACD/Name 4.0)|Diisobutylester kyseliny ftalove|Diisobutylphthalat|EINECS 201-553-2|ftalato de diisobutilo|Hatcol DIBP|Hexaplas M/1B|Isobutyl phthalate|Isobutyl phthalate (VAN)|isobutyl-o-phthalate|Kodaflex DIBP|NSC 15316|Palatinol IC|Phtalate de diisobutyle|PHTHALATE, DIISOBUTYL|Phthalic acic, diiso https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022522 https://doi.org/10.22427/NTP-DATA-DTXSID9022522
ARPathway2016 ARPathway2016_1640 Diisobutyl phthalate 84-69-5 DTXSID9022522 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C Diisobutyl phthalate 84-69-5|Diisobutyl phthalate|1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester|1,2-benzenedicarboxylic acid di(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid diisobutyl ester|1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, bis-(2-methoxypropyl)ester|1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, di(2-methylpropyl) ester|1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate|4-09-00-03177|AI3-04278|bis(2-methylpropyl) phthalate|BRN 2054802|di-2-methylpropyl phthalate|Di-iso-Butyl phthalate|di-l-butyl phthalate|Di(2-methylpropyl) phthalate|di(i-butyl)phthalate|Di(isobutyl) 1,2-benzenedicarboxylate|Di(isobutyl)-1,2-benzenedicarboxylate|DIBP|Diisobutyl phthalate (ACD/Name 4.0)|Diisobutylester kyseliny ftalove|Diisobutylphthalat|EINECS 201-553-2|ftalato de diisobutilo|Hatcol DIBP|Hexaplas M/1B|Isobutyl phthalate|Isobutyl phthalate (VAN)|isobutyl-o-phthalate|Kodaflex DIBP|NSC 15316|Palatinol IC|Phtalate de diisobutyle|PHTHALATE, DIISOBUTYL|Phthalic acic, diiso https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022522 https://doi.org/10.22427/NTP-DATA-DTXSID9022522
ERPathway2016 ERPathway2016_3 Diisobutyl phthalate 84-69-5 DTXSID9022522 ER Pathway Model, Agonist AC50 16.0929667596898 uM CC(C)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C Diisobutyl phthalate 84-69-5|Diisobutyl phthalate|1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester|1,2-benzenedicarboxylic acid di(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid diisobutyl ester|1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, bis-(2-methoxypropyl)ester|1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, di(2-methylpropyl) ester|1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate|4-09-00-03177|AI3-04278|bis(2-methylpropyl) phthalate|BRN 2054802|di-2-methylpropyl phthalate|Di-iso-Butyl phthalate|di-l-butyl phthalate|Di(2-methylpropyl) phthalate|di(i-butyl)phthalate|Di(isobutyl) 1,2-benzenedicarboxylate|Di(isobutyl)-1,2-benzenedicarboxylate|DIBP|Diisobutyl phthalate (ACD/Name 4.0)|Diisobutylester kyseliny ftalove|Diisobutylphthalat|EINECS 201-553-2|ftalato de diisobutilo|Hatcol DIBP|Hexaplas M/1B|Isobutyl phthalate|Isobutyl phthalate (VAN)|isobutyl-o-phthalate|Kodaflex DIBP|NSC 15316|Palatinol IC|Phtalate de diisobutyle|PHTHALATE, DIISOBUTYL|Phthalic acic, diiso https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022522 https://doi.org/10.22427/NTP-DATA-DTXSID9022522
ERPathway2016 ERPathway2016_3 Diisobutyl phthalate 84-69-5 DTXSID9022522 ER Pathway Model, Agonist ACC 14.5071068688108 uM CC(C)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C Diisobutyl phthalate 84-69-5|Diisobutyl phthalate|1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester|1,2-benzenedicarboxylic acid di(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid diisobutyl ester|1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, bis-(2-methoxypropyl)ester|1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, di(2-methylpropyl) ester|1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate|4-09-00-03177|AI3-04278|bis(2-methylpropyl) phthalate|BRN 2054802|di-2-methylpropyl phthalate|Di-iso-Butyl phthalate|di-l-butyl phthalate|Di(2-methylpropyl) phthalate|di(i-butyl)phthalate|Di(isobutyl) 1,2-benzenedicarboxylate|Di(isobutyl)-1,2-benzenedicarboxylate|DIBP|Diisobutyl phthalate (ACD/Name 4.0)|Diisobutylester kyseliny ftalove|Diisobutylphthalat|EINECS 201-553-2|ftalato de diisobutilo|Hatcol DIBP|Hexaplas M/1B|Isobutyl phthalate|Isobutyl phthalate (VAN)|isobutyl-o-phthalate|Kodaflex DIBP|NSC 15316|Palatinol IC|Phtalate de diisobutyle|PHTHALATE, DIISOBUTYL|Phthalic acic, diiso https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022522 https://doi.org/10.22427/NTP-DATA-DTXSID9022522
ERPathway2016 ERPathway2016_3 Diisobutyl phthalate 84-69-5 DTXSID9022522 ER Pathway Model, Agonist Model Score 0.0283 Unitless CC(C)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C Diisobutyl phthalate 84-69-5|Diisobutyl phthalate|1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester|1,2-benzenedicarboxylic acid di(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid diisobutyl ester|1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, bis-(2-methoxypropyl)ester|1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, di(2-methylpropyl) ester|1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate|4-09-00-03177|AI3-04278|bis(2-methylpropyl) phthalate|BRN 2054802|di-2-methylpropyl phthalate|Di-iso-Butyl phthalate|di-l-butyl phthalate|Di(2-methylpropyl) phthalate|di(i-butyl)phthalate|Di(isobutyl) 1,2-benzenedicarboxylate|Di(isobutyl)-1,2-benzenedicarboxylate|DIBP|Diisobutyl phthalate (ACD/Name 4.0)|Diisobutylester kyseliny ftalove|Diisobutylphthalat|EINECS 201-553-2|ftalato de diisobutilo|Hatcol DIBP|Hexaplas M/1B|Isobutyl phthalate|Isobutyl phthalate (VAN)|isobutyl-o-phthalate|Kodaflex DIBP|NSC 15316|Palatinol IC|Phtalate de diisobutyle|PHTHALATE, DIISOBUTYL|Phthalic acic, diiso https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022522 https://doi.org/10.22427/NTP-DATA-DTXSID9022522
ERPathway2016 ERPathway2016_3 Diisobutyl phthalate 84-69-5 DTXSID9022522 ER Pathway Model, Antagonist Model Score 0.0375 Unitless CC(C)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C Diisobutyl phthalate 84-69-5|Diisobutyl phthalate|1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester|1,2-benzenedicarboxylic acid di(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid diisobutyl ester|1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, bis-(2-methoxypropyl)ester|1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, di(2-methylpropyl) ester|1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate|4-09-00-03177|AI3-04278|bis(2-methylpropyl) phthalate|BRN 2054802|di-2-methylpropyl phthalate|Di-iso-Butyl phthalate|di-l-butyl phthalate|Di(2-methylpropyl) phthalate|di(i-butyl)phthalate|Di(isobutyl) 1,2-benzenedicarboxylate|Di(isobutyl)-1,2-benzenedicarboxylate|DIBP|Diisobutyl phthalate (ACD/Name 4.0)|Diisobutylester kyseliny ftalove|Diisobutylphthalat|EINECS 201-553-2|ftalato de diisobutilo|Hatcol DIBP|Hexaplas M/1B|Isobutyl phthalate|Isobutyl phthalate (VAN)|isobutyl-o-phthalate|Kodaflex DIBP|NSC 15316|Palatinol IC|Phtalate de diisobutyle|PHTHALATE, DIISOBUTYL|Phthalic acic, diiso https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022522 https://doi.org/10.22427/NTP-DATA-DTXSID9022522
ERPathway2016 ERPathway2016_3 Diisobutyl phthalate 84-69-5 DTXSID9022522 ER Pathway Model, Agonist Call Active Unitless CC(C)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C Diisobutyl phthalate 84-69-5|Diisobutyl phthalate|1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester|1,2-benzenedicarboxylic acid di(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid diisobutyl ester|1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, bis-(2-methoxypropyl)ester|1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, di(2-methylpropyl) ester|1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate|4-09-00-03177|AI3-04278|bis(2-methylpropyl) phthalate|BRN 2054802|di-2-methylpropyl phthalate|Di-iso-Butyl phthalate|di-l-butyl phthalate|Di(2-methylpropyl) phthalate|di(i-butyl)phthalate|Di(isobutyl) 1,2-benzenedicarboxylate|Di(isobutyl)-1,2-benzenedicarboxylate|DIBP|Diisobutyl phthalate (ACD/Name 4.0)|Diisobutylester kyseliny ftalove|Diisobutylphthalat|EINECS 201-553-2|ftalato de diisobutilo|Hatcol DIBP|Hexaplas M/1B|Isobutyl phthalate|Isobutyl phthalate (VAN)|isobutyl-o-phthalate|Kodaflex DIBP|NSC 15316|Palatinol IC|Phtalate de diisobutyle|PHTHALATE, DIISOBUTYL|Phthalic acic, diiso https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022522 https://doi.org/10.22427/NTP-DATA-DTXSID9022522
ERPathway2016 ERPathway2016_3 Diisobutyl phthalate 84-69-5 DTXSID9022522 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C Diisobutyl phthalate 84-69-5|Diisobutyl phthalate|1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester|1,2-benzenedicarboxylic acid di(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid diisobutyl ester|1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, bis-(2-methoxypropyl)ester|1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester|1,2-Benzenedicarboxylic acid, di(2-methylpropyl) ester|1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate|4-09-00-03177|AI3-04278|bis(2-methylpropyl) phthalate|BRN 2054802|di-2-methylpropyl phthalate|Di-iso-Butyl phthalate|di-l-butyl phthalate|Di(2-methylpropyl) phthalate|di(i-butyl)phthalate|Di(isobutyl) 1,2-benzenedicarboxylate|Di(isobutyl)-1,2-benzenedicarboxylate|DIBP|Diisobutyl phthalate (ACD/Name 4.0)|Diisobutylester kyseliny ftalove|Diisobutylphthalat|EINECS 201-553-2|ftalato de diisobutilo|Hatcol DIBP|Hexaplas M/1B|Isobutyl phthalate|Isobutyl phthalate (VAN)|isobutyl-o-phthalate|Kodaflex DIBP|NSC 15316|Palatinol IC|Phtalate de diisobutyle|PHTHALATE, DIISOBUTYL|Phthalic acic, diiso https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022522 https://doi.org/10.22427/NTP-DATA-DTXSID9022522
ARPathway2016 ARPathway2016_1087 Diisodecyl hexanedioate 27178-16-1 DTXSID1027924 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C*.C*.CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC |lp:13:2,15:2,21:2,22:2,m:1:23.24.25.26.27.28.29.30,3:12.11.10.9.8.7.6.5| Diisodecyl hexanedioate 27178-16-1|Diisodecyl hexanedioate|C9(C)O(=O)CCCC(=O)O(C)C9|Diisodecyl adipate (Hexanedioic acid, diisodecyl ester)|EINECS 248-299-9|Hexanedioic acid, diisodecyl ester|UNII-3V0Q382O0P|105557-17-3|29761-32-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027924
ARPathway2016 ARPathway2016_1087 Diisodecyl hexanedioate 27178-16-1 DTXSID1027924 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C*.C*.CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC |lp:13:2,15:2,21:2,22:2,m:1:23.24.25.26.27.28.29.30,3:12.11.10.9.8.7.6.5| Diisodecyl hexanedioate 27178-16-1|Diisodecyl hexanedioate|C9(C)O(=O)CCCC(=O)O(C)C9|Diisodecyl adipate (Hexanedioic acid, diisodecyl ester)|EINECS 248-299-9|Hexanedioic acid, diisodecyl ester|UNII-3V0Q382O0P|105557-17-3|29761-32-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027924
ARPathway2016 ARPathway2016_1087 Diisodecyl hexanedioate 27178-16-1 DTXSID1027924 0.0 AR Pathway Model, Agonist Call Inactive Unitless C*.C*.CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC |lp:13:2,15:2,21:2,22:2,m:1:23.24.25.26.27.28.29.30,3:12.11.10.9.8.7.6.5| Diisodecyl hexanedioate 27178-16-1|Diisodecyl hexanedioate|C9(C)O(=O)CCCC(=O)O(C)C9|Diisodecyl adipate (Hexanedioic acid, diisodecyl ester)|EINECS 248-299-9|Hexanedioic acid, diisodecyl ester|UNII-3V0Q382O0P|105557-17-3|29761-32-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027924
ARPathway2016 ARPathway2016_1087 Diisodecyl hexanedioate 27178-16-1 DTXSID1027924 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C*.C*.CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC |lp:13:2,15:2,21:2,22:2,m:1:23.24.25.26.27.28.29.30,3:12.11.10.9.8.7.6.5| Diisodecyl hexanedioate 27178-16-1|Diisodecyl hexanedioate|C9(C)O(=O)CCCC(=O)O(C)C9|Diisodecyl adipate (Hexanedioic acid, diisodecyl ester)|EINECS 248-299-9|Hexanedioic acid, diisodecyl ester|UNII-3V0Q382O0P|105557-17-3|29761-32-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027924
ERPathway2016 ERPathway2016_847 Diisodecyl hexanedioate 27178-16-1 DTXSID1027924 ER Pathway Model, Agonist Model Score 0 Unitless C*.C*.CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC |lp:13:2,15:2,21:2,22:2,m:1:23.24.25.26.27.28.29.30,3:12.11.10.9.8.7.6.5| Diisodecyl hexanedioate 27178-16-1|Diisodecyl hexanedioate|C9(C)O(=O)CCCC(=O)O(C)C9|Diisodecyl adipate (Hexanedioic acid, diisodecyl ester)|EINECS 248-299-9|Hexanedioic acid, diisodecyl ester|UNII-3V0Q382O0P|105557-17-3|29761-32-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027924
ERPathway2016 ERPathway2016_847 Diisodecyl hexanedioate 27178-16-1 DTXSID1027924 ER Pathway Model, Antagonist Model Score 0 Unitless C*.C*.CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC |lp:13:2,15:2,21:2,22:2,m:1:23.24.25.26.27.28.29.30,3:12.11.10.9.8.7.6.5| Diisodecyl hexanedioate 27178-16-1|Diisodecyl hexanedioate|C9(C)O(=O)CCCC(=O)O(C)C9|Diisodecyl adipate (Hexanedioic acid, diisodecyl ester)|EINECS 248-299-9|Hexanedioic acid, diisodecyl ester|UNII-3V0Q382O0P|105557-17-3|29761-32-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027924
ERPathway2016 ERPathway2016_847 Diisodecyl hexanedioate 27178-16-1 DTXSID1027924 ER Pathway Model, Agonist Call Inactive Unitless C*.C*.CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC |lp:13:2,15:2,21:2,22:2,m:1:23.24.25.26.27.28.29.30,3:12.11.10.9.8.7.6.5| Diisodecyl hexanedioate 27178-16-1|Diisodecyl hexanedioate|C9(C)O(=O)CCCC(=O)O(C)C9|Diisodecyl adipate (Hexanedioic acid, diisodecyl ester)|EINECS 248-299-9|Hexanedioic acid, diisodecyl ester|UNII-3V0Q382O0P|105557-17-3|29761-32-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027924
ERPathway2016 ERPathway2016_847 Diisodecyl hexanedioate 27178-16-1 DTXSID1027924 ER Pathway Model, Antagonist Call Inactive Unitless C*.C*.CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC |lp:13:2,15:2,21:2,22:2,m:1:23.24.25.26.27.28.29.30,3:12.11.10.9.8.7.6.5| Diisodecyl hexanedioate 27178-16-1|Diisodecyl hexanedioate|C9(C)O(=O)CCCC(=O)O(C)C9|Diisodecyl adipate (Hexanedioic acid, diisodecyl ester)|EINECS 248-299-9|Hexanedioic acid, diisodecyl ester|UNII-3V0Q382O0P|105557-17-3|29761-32-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027924
ARPathway2016 ARPathway2016_1058 Diisodecylphenyl phosphite 25550-98-5 DTXSID3027877 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Diisodecylphenyl phosphite 25550-98-5|Diisodecylphenyl phosphite|EINECS 247-098-3|Isodecyl alcohol, phenyl phosphite (2:1)|Phenyl diisodecyl phosphite|Phosphorous acid, diisodecyl phenyl ester|174594-30-0|28930-03-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027877
ARPathway2016 ARPathway2016_1058 Diisodecylphenyl phosphite 25550-98-5 DTXSID3027877 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Diisodecylphenyl phosphite 25550-98-5|Diisodecylphenyl phosphite|EINECS 247-098-3|Isodecyl alcohol, phenyl phosphite (2:1)|Phenyl diisodecyl phosphite|Phosphorous acid, diisodecyl phenyl ester|174594-30-0|28930-03-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027877
ARPathway2016 ARPathway2016_1058 Diisodecylphenyl phosphite 25550-98-5 DTXSID3027877 0.0 AR Pathway Model, Agonist Call Inactive Unitless Diisodecylphenyl phosphite 25550-98-5|Diisodecylphenyl phosphite|EINECS 247-098-3|Isodecyl alcohol, phenyl phosphite (2:1)|Phenyl diisodecyl phosphite|Phosphorous acid, diisodecyl phenyl ester|174594-30-0|28930-03-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027877
ARPathway2016 ARPathway2016_1058 Diisodecylphenyl phosphite 25550-98-5 DTXSID3027877 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Diisodecylphenyl phosphite 25550-98-5|Diisodecylphenyl phosphite|EINECS 247-098-3|Isodecyl alcohol, phenyl phosphite (2:1)|Phenyl diisodecyl phosphite|Phosphorous acid, diisodecyl phenyl ester|174594-30-0|28930-03-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027877
ERPathway2016 ERPathway2016_650 Diisodecylphenyl phosphite 25550-98-5 DTXSID3027877 A17 ER Pathway Model, Agonist Model Score 0 Unitless Diisodecylphenyl phosphite 25550-98-5|Diisodecylphenyl phosphite|EINECS 247-098-3|Isodecyl alcohol, phenyl phosphite (2:1)|Phenyl diisodecyl phosphite|Phosphorous acid, diisodecyl phenyl ester|174594-30-0|28930-03-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027877
ERPathway2016 ERPathway2016_650 Diisodecylphenyl phosphite 25550-98-5 DTXSID3027877 A17 ER Pathway Model, Antagonist Model Score 0 Unitless Diisodecylphenyl phosphite 25550-98-5|Diisodecylphenyl phosphite|EINECS 247-098-3|Isodecyl alcohol, phenyl phosphite (2:1)|Phenyl diisodecyl phosphite|Phosphorous acid, diisodecyl phenyl ester|174594-30-0|28930-03-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027877
ERPathway2016 ERPathway2016_650 Diisodecylphenyl phosphite 25550-98-5 DTXSID3027877 A17 ER Pathway Model, Agonist Call Inactive Unitless Diisodecylphenyl phosphite 25550-98-5|Diisodecylphenyl phosphite|EINECS 247-098-3|Isodecyl alcohol, phenyl phosphite (2:1)|Phenyl diisodecyl phosphite|Phosphorous acid, diisodecyl phenyl ester|174594-30-0|28930-03-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027877
ERPathway2016 ERPathway2016_650 Diisodecylphenyl phosphite 25550-98-5 DTXSID3027877 A17 ER Pathway Model, Antagonist Call Inactive Unitless Diisodecylphenyl phosphite 25550-98-5|Diisodecylphenyl phosphite|EINECS 247-098-3|Isodecyl alcohol, phenyl phosphite (2:1)|Phenyl diisodecyl phosphite|Phosphorous acid, diisodecyl phenyl ester|174594-30-0|28930-03-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027877
ARPathway2016 ARPathway2016_1155 Diisononyl adipate 33703-08-1 DTXSID5027982 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Diisononyl adipate 33703-08-1|Diisononyl adipate|251-646-7|Adipic acid, diisononyl ester|DINA|EC No.: 251-646-7|EINECS 251-646-7|Glissofluid A 13|Hexanedioic acid, 1,6-diisononyl ester|Hexanedioic acid, diisononyl ester|Isononyl alcohol, adipate (2:1)|Jayflex DINA|Jayflex DINA 2|Monocizer W 242|Plasomoll DNA|Plastomoll DNA|Polycizer W 242|Sansocizer DINA|UNII-BMQ5JF4857|W 242|1980026-53-6|609809-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027982
ARPathway2016 ARPathway2016_1155 Diisononyl adipate 33703-08-1 DTXSID5027982 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Diisononyl adipate 33703-08-1|Diisononyl adipate|251-646-7|Adipic acid, diisononyl ester|DINA|EC No.: 251-646-7|EINECS 251-646-7|Glissofluid A 13|Hexanedioic acid, 1,6-diisononyl ester|Hexanedioic acid, diisononyl ester|Isononyl alcohol, adipate (2:1)|Jayflex DINA|Jayflex DINA 2|Monocizer W 242|Plasomoll DNA|Plastomoll DNA|Polycizer W 242|Sansocizer DINA|UNII-BMQ5JF4857|W 242|1980026-53-6|609809-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027982
ARPathway2016 ARPathway2016_1155 Diisononyl adipate 33703-08-1 DTXSID5027982 0.0 AR Pathway Model, Agonist Call Inactive Unitless Diisononyl adipate 33703-08-1|Diisononyl adipate|251-646-7|Adipic acid, diisononyl ester|DINA|EC No.: 251-646-7|EINECS 251-646-7|Glissofluid A 13|Hexanedioic acid, 1,6-diisononyl ester|Hexanedioic acid, diisononyl ester|Isononyl alcohol, adipate (2:1)|Jayflex DINA|Jayflex DINA 2|Monocizer W 242|Plasomoll DNA|Plastomoll DNA|Polycizer W 242|Sansocizer DINA|UNII-BMQ5JF4857|W 242|1980026-53-6|609809-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027982
ARPathway2016 ARPathway2016_1155 Diisononyl adipate 33703-08-1 DTXSID5027982 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Diisononyl adipate 33703-08-1|Diisononyl adipate|251-646-7|Adipic acid, diisononyl ester|DINA|EC No.: 251-646-7|EINECS 251-646-7|Glissofluid A 13|Hexanedioic acid, 1,6-diisononyl ester|Hexanedioic acid, diisononyl ester|Isononyl alcohol, adipate (2:1)|Jayflex DINA|Jayflex DINA 2|Monocizer W 242|Plasomoll DNA|Plastomoll DNA|Polycizer W 242|Sansocizer DINA|UNII-BMQ5JF4857|W 242|1980026-53-6|609809-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027982
ERPathway2016 ERPathway2016_1457 Diisononyl adipate 33703-08-1 DTXSID5027982 ER Pathway Model, Agonist Model Score 0 Unitless Diisononyl adipate 33703-08-1|Diisononyl adipate|251-646-7|Adipic acid, diisononyl ester|DINA|EC No.: 251-646-7|EINECS 251-646-7|Glissofluid A 13|Hexanedioic acid, 1,6-diisononyl ester|Hexanedioic acid, diisononyl ester|Isononyl alcohol, adipate (2:1)|Jayflex DINA|Jayflex DINA 2|Monocizer W 242|Plasomoll DNA|Plastomoll DNA|Polycizer W 242|Sansocizer DINA|UNII-BMQ5JF4857|W 242|1980026-53-6|609809-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027982
ERPathway2016 ERPathway2016_1457 Diisononyl adipate 33703-08-1 DTXSID5027982 ER Pathway Model, Antagonist Model Score 0 Unitless Diisononyl adipate 33703-08-1|Diisononyl adipate|251-646-7|Adipic acid, diisononyl ester|DINA|EC No.: 251-646-7|EINECS 251-646-7|Glissofluid A 13|Hexanedioic acid, 1,6-diisononyl ester|Hexanedioic acid, diisononyl ester|Isononyl alcohol, adipate (2:1)|Jayflex DINA|Jayflex DINA 2|Monocizer W 242|Plasomoll DNA|Plastomoll DNA|Polycizer W 242|Sansocizer DINA|UNII-BMQ5JF4857|W 242|1980026-53-6|609809-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027982
ERPathway2016 ERPathway2016_1457 Diisononyl adipate 33703-08-1 DTXSID5027982 ER Pathway Model, Agonist Call Inactive Unitless Diisononyl adipate 33703-08-1|Diisononyl adipate|251-646-7|Adipic acid, diisononyl ester|DINA|EC No.: 251-646-7|EINECS 251-646-7|Glissofluid A 13|Hexanedioic acid, 1,6-diisononyl ester|Hexanedioic acid, diisononyl ester|Isononyl alcohol, adipate (2:1)|Jayflex DINA|Jayflex DINA 2|Monocizer W 242|Plasomoll DNA|Plastomoll DNA|Polycizer W 242|Sansocizer DINA|UNII-BMQ5JF4857|W 242|1980026-53-6|609809-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027982
ERPathway2016 ERPathway2016_1457 Diisononyl adipate 33703-08-1 DTXSID5027982 ER Pathway Model, Antagonist Call Inactive Unitless Diisononyl adipate 33703-08-1|Diisononyl adipate|251-646-7|Adipic acid, diisononyl ester|DINA|EC No.: 251-646-7|EINECS 251-646-7|Glissofluid A 13|Hexanedioic acid, 1,6-diisononyl ester|Hexanedioic acid, diisononyl ester|Isononyl alcohol, adipate (2:1)|Jayflex DINA|Jayflex DINA 2|Monocizer W 242|Plasomoll DNA|Plastomoll DNA|Polycizer W 242|Sansocizer DINA|UNII-BMQ5JF4857|W 242|1980026-53-6|609809-50-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027982
ARPathway2016 ARPathway2016_925 Diisononyl cyclohexane-1,2-dicarboxylate 166412-78-8 DTXSID8047395 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Diisononyl cyclohexane-1,2-dicarboxylate 166412-78-8|Diisononyl cyclohexane-1,2-dicarboxylate|1,2-Cyclohexane dicarboxylic acid diisononyl ester|1,2-Cyclohexanedicarboxylic acid, 1,2-diisononyl ester|1,2-Cyclohexanedicarboxylic acid, diisononyl ester|431-890-2|Agnique AE 829|Bis(isononyl)cyclohexane 1,2-dicarboxylate|Diisononyl 1,2-cyclohexanedicarboxylic acid diisononyl ester|Diisononyl cyclohexane-1,2-dicarboxylate|Diisononyl hexahydrophthalate|DINCH|EC No.: 431-890-2|EEC No.: 431-890-2|Elatur CH|ELINCS No.: 431-890-2|Flocare 35138|Hexamoll|Hexamoll DINCH|UN 899|UniHydro UN 899|2407730-48-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047395
ARPathway2016 ARPathway2016_925 Diisononyl cyclohexane-1,2-dicarboxylate 166412-78-8 DTXSID8047395 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Diisononyl cyclohexane-1,2-dicarboxylate 166412-78-8|Diisononyl cyclohexane-1,2-dicarboxylate|1,2-Cyclohexane dicarboxylic acid diisononyl ester|1,2-Cyclohexanedicarboxylic acid, 1,2-diisononyl ester|1,2-Cyclohexanedicarboxylic acid, diisononyl ester|431-890-2|Agnique AE 829|Bis(isononyl)cyclohexane 1,2-dicarboxylate|Diisononyl 1,2-cyclohexanedicarboxylic acid diisononyl ester|Diisononyl cyclohexane-1,2-dicarboxylate|Diisononyl hexahydrophthalate|DINCH|EC No.: 431-890-2|EEC No.: 431-890-2|Elatur CH|ELINCS No.: 431-890-2|Flocare 35138|Hexamoll|Hexamoll DINCH|UN 899|UniHydro UN 899|2407730-48-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047395
ARPathway2016 ARPathway2016_925 Diisononyl cyclohexane-1,2-dicarboxylate 166412-78-8 DTXSID8047395 0.0 AR Pathway Model, Agonist Call Inactive Unitless Diisononyl cyclohexane-1,2-dicarboxylate 166412-78-8|Diisononyl cyclohexane-1,2-dicarboxylate|1,2-Cyclohexane dicarboxylic acid diisononyl ester|1,2-Cyclohexanedicarboxylic acid, 1,2-diisononyl ester|1,2-Cyclohexanedicarboxylic acid, diisononyl ester|431-890-2|Agnique AE 829|Bis(isononyl)cyclohexane 1,2-dicarboxylate|Diisononyl 1,2-cyclohexanedicarboxylic acid diisononyl ester|Diisononyl cyclohexane-1,2-dicarboxylate|Diisononyl hexahydrophthalate|DINCH|EC No.: 431-890-2|EEC No.: 431-890-2|Elatur CH|ELINCS No.: 431-890-2|Flocare 35138|Hexamoll|Hexamoll DINCH|UN 899|UniHydro UN 899|2407730-48-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047395
ARPathway2016 ARPathway2016_925 Diisononyl cyclohexane-1,2-dicarboxylate 166412-78-8 DTXSID8047395 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Diisononyl cyclohexane-1,2-dicarboxylate 166412-78-8|Diisononyl cyclohexane-1,2-dicarboxylate|1,2-Cyclohexane dicarboxylic acid diisononyl ester|1,2-Cyclohexanedicarboxylic acid, 1,2-diisononyl ester|1,2-Cyclohexanedicarboxylic acid, diisononyl ester|431-890-2|Agnique AE 829|Bis(isononyl)cyclohexane 1,2-dicarboxylate|Diisononyl 1,2-cyclohexanedicarboxylic acid diisononyl ester|Diisononyl cyclohexane-1,2-dicarboxylate|Diisononyl hexahydrophthalate|DINCH|EC No.: 431-890-2|EEC No.: 431-890-2|Elatur CH|ELINCS No.: 431-890-2|Flocare 35138|Hexamoll|Hexamoll DINCH|UN 899|UniHydro UN 899|2407730-48-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047395
ERPathway2016 ERPathway2016_1340 Diisononyl cyclohexane-1,2-dicarboxylate 166412-78-8 DTXSID8047395 ER Pathway Model, Agonist Model Score 0 Unitless Diisononyl cyclohexane-1,2-dicarboxylate 166412-78-8|Diisononyl cyclohexane-1,2-dicarboxylate|1,2-Cyclohexane dicarboxylic acid diisononyl ester|1,2-Cyclohexanedicarboxylic acid, 1,2-diisononyl ester|1,2-Cyclohexanedicarboxylic acid, diisononyl ester|431-890-2|Agnique AE 829|Bis(isononyl)cyclohexane 1,2-dicarboxylate|Diisononyl 1,2-cyclohexanedicarboxylic acid diisononyl ester|Diisononyl cyclohexane-1,2-dicarboxylate|Diisononyl hexahydrophthalate|DINCH|EC No.: 431-890-2|EEC No.: 431-890-2|Elatur CH|ELINCS No.: 431-890-2|Flocare 35138|Hexamoll|Hexamoll DINCH|UN 899|UniHydro UN 899|2407730-48-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047395
ERPathway2016 ERPathway2016_1340 Diisononyl cyclohexane-1,2-dicarboxylate 166412-78-8 DTXSID8047395 ER Pathway Model, Antagonist Model Score 0 Unitless Diisononyl cyclohexane-1,2-dicarboxylate 166412-78-8|Diisononyl cyclohexane-1,2-dicarboxylate|1,2-Cyclohexane dicarboxylic acid diisononyl ester|1,2-Cyclohexanedicarboxylic acid, 1,2-diisononyl ester|1,2-Cyclohexanedicarboxylic acid, diisononyl ester|431-890-2|Agnique AE 829|Bis(isononyl)cyclohexane 1,2-dicarboxylate|Diisononyl 1,2-cyclohexanedicarboxylic acid diisononyl ester|Diisononyl cyclohexane-1,2-dicarboxylate|Diisononyl hexahydrophthalate|DINCH|EC No.: 431-890-2|EEC No.: 431-890-2|Elatur CH|ELINCS No.: 431-890-2|Flocare 35138|Hexamoll|Hexamoll DINCH|UN 899|UniHydro UN 899|2407730-48-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047395
ERPathway2016 ERPathway2016_1340 Diisononyl cyclohexane-1,2-dicarboxylate 166412-78-8 DTXSID8047395 ER Pathway Model, Agonist Call Inactive Unitless Diisononyl cyclohexane-1,2-dicarboxylate 166412-78-8|Diisononyl cyclohexane-1,2-dicarboxylate|1,2-Cyclohexane dicarboxylic acid diisononyl ester|1,2-Cyclohexanedicarboxylic acid, 1,2-diisononyl ester|1,2-Cyclohexanedicarboxylic acid, diisononyl ester|431-890-2|Agnique AE 829|Bis(isononyl)cyclohexane 1,2-dicarboxylate|Diisononyl 1,2-cyclohexanedicarboxylic acid diisononyl ester|Diisononyl cyclohexane-1,2-dicarboxylate|Diisononyl hexahydrophthalate|DINCH|EC No.: 431-890-2|EEC No.: 431-890-2|Elatur CH|ELINCS No.: 431-890-2|Flocare 35138|Hexamoll|Hexamoll DINCH|UN 899|UniHydro UN 899|2407730-48-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047395
ERPathway2016 ERPathway2016_1340 Diisononyl cyclohexane-1,2-dicarboxylate 166412-78-8 DTXSID8047395 ER Pathway Model, Antagonist Call Inactive Unitless Diisononyl cyclohexane-1,2-dicarboxylate 166412-78-8|Diisononyl cyclohexane-1,2-dicarboxylate|1,2-Cyclohexane dicarboxylic acid diisononyl ester|1,2-Cyclohexanedicarboxylic acid, 1,2-diisononyl ester|1,2-Cyclohexanedicarboxylic acid, diisononyl ester|431-890-2|Agnique AE 829|Bis(isononyl)cyclohexane 1,2-dicarboxylate|Diisononyl 1,2-cyclohexanedicarboxylic acid diisononyl ester|Diisononyl cyclohexane-1,2-dicarboxylate|Diisononyl hexahydrophthalate|DINCH|EC No.: 431-890-2|EEC No.: 431-890-2|Elatur CH|ELINCS No.: 431-890-2|Flocare 35138|Hexamoll|Hexamoll DINCH|UN 899|UniHydro UN 899|2407730-48-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047395
ARPathway2016 ARPathway2016_790 Diisooctyl adipate 1330-86-5 DTXSID7027388 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Diisooctyl adipate 1330-86-5|Diisooctyl adipate|Adipic acid, diisooctyl ester|Di-iso-octyl adipate|Diiosoctyl adipate|Dimethyl heptyladipate|EINECS 215-553-5|Hatcol 2906|Hexanedioic acid, diisooctyl ester|Isooctyl adipate|Isooctyl alcohol, adipate (2:1)|108778-22-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027388
ARPathway2016 ARPathway2016_790 Diisooctyl adipate 1330-86-5 DTXSID7027388 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Diisooctyl adipate 1330-86-5|Diisooctyl adipate|Adipic acid, diisooctyl ester|Di-iso-octyl adipate|Diiosoctyl adipate|Dimethyl heptyladipate|EINECS 215-553-5|Hatcol 2906|Hexanedioic acid, diisooctyl ester|Isooctyl adipate|Isooctyl alcohol, adipate (2:1)|108778-22-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027388
ARPathway2016 ARPathway2016_790 Diisooctyl adipate 1330-86-5 DTXSID7027388 0.0 AR Pathway Model, Agonist Call Inactive Unitless Diisooctyl adipate 1330-86-5|Diisooctyl adipate|Adipic acid, diisooctyl ester|Di-iso-octyl adipate|Diiosoctyl adipate|Dimethyl heptyladipate|EINECS 215-553-5|Hatcol 2906|Hexanedioic acid, diisooctyl ester|Isooctyl adipate|Isooctyl alcohol, adipate (2:1)|108778-22-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027388
ARPathway2016 ARPathway2016_790 Diisooctyl adipate 1330-86-5 DTXSID7027388 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Diisooctyl adipate 1330-86-5|Diisooctyl adipate|Adipic acid, diisooctyl ester|Di-iso-octyl adipate|Diiosoctyl adipate|Dimethyl heptyladipate|EINECS 215-553-5|Hatcol 2906|Hexanedioic acid, diisooctyl ester|Isooctyl adipate|Isooctyl alcohol, adipate (2:1)|108778-22-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027388
ERPathway2016 ERPathway2016_1275 Diisooctyl adipate 1330-86-5 DTXSID7027388 ER Pathway Model, Agonist Model Score 0 Unitless Diisooctyl adipate 1330-86-5|Diisooctyl adipate|Adipic acid, diisooctyl ester|Di-iso-octyl adipate|Diiosoctyl adipate|Dimethyl heptyladipate|EINECS 215-553-5|Hatcol 2906|Hexanedioic acid, diisooctyl ester|Isooctyl adipate|Isooctyl alcohol, adipate (2:1)|108778-22-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027388
ERPathway2016 ERPathway2016_1275 Diisooctyl adipate 1330-86-5 DTXSID7027388 ER Pathway Model, Antagonist Model Score 0 Unitless Diisooctyl adipate 1330-86-5|Diisooctyl adipate|Adipic acid, diisooctyl ester|Di-iso-octyl adipate|Diiosoctyl adipate|Dimethyl heptyladipate|EINECS 215-553-5|Hatcol 2906|Hexanedioic acid, diisooctyl ester|Isooctyl adipate|Isooctyl alcohol, adipate (2:1)|108778-22-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027388
ERPathway2016 ERPathway2016_1275 Diisooctyl adipate 1330-86-5 DTXSID7027388 ER Pathway Model, Agonist Call Inactive Unitless Diisooctyl adipate 1330-86-5|Diisooctyl adipate|Adipic acid, diisooctyl ester|Di-iso-octyl adipate|Diiosoctyl adipate|Dimethyl heptyladipate|EINECS 215-553-5|Hatcol 2906|Hexanedioic acid, diisooctyl ester|Isooctyl adipate|Isooctyl alcohol, adipate (2:1)|108778-22-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027388
ERPathway2016 ERPathway2016_1275 Diisooctyl adipate 1330-86-5 DTXSID7027388 ER Pathway Model, Antagonist Call Inactive Unitless Diisooctyl adipate 1330-86-5|Diisooctyl adipate|Adipic acid, diisooctyl ester|Di-iso-octyl adipate|Diiosoctyl adipate|Dimethyl heptyladipate|EINECS 215-553-5|Hatcol 2906|Hexanedioic acid, diisooctyl ester|Isooctyl adipate|Isooctyl alcohol, adipate (2:1)|108778-22-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027388
ARPathway2016 ARPathway2016_556 Diisopropanolamine 110-97-4 DTXSID8020179 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(O)CNCC(C)O Diisopropanolamine 110-97-4|Diisopropanolamine|1,1'-Iminobis(2-propanol)|1,1'-Iminobis[2-propanol]|1,1'-IMINODI-2-PROPANOL|1,1'-Iminodipropan-2-ol|1,1'-iminodipropane-2-ol|110924 DR DI-Isopropanolamine|2-Propanol, 1,1'-iminobis-|2-Propanol, 1,1'-iminodi-|2,2'-DIHYDROXYDIPROPYLAMIN|3-04-00-00761|Bis(2-hydroxypropyl)amine|Bis(2-propanol) amine|Bis(2-propanol)amine|BRN 0605363|Di-2-propanolamine|Di-Isopropanolamine|Dipropyl-2,2'-dihydroxy-amine|EINECS 203-820-9|N,N-Bis(2-hydroxypropyl)amine|N,N-Diisopropanolamine|NSC 4963|UNII-0W44HYL8T5|1141787-00-9|1335-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020179 https://doi.org/10.22427/NTP-DATA-DTXSID8020179
ARPathway2016 ARPathway2016_556 Diisopropanolamine 110-97-4 DTXSID8020179 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(O)CNCC(C)O Diisopropanolamine 110-97-4|Diisopropanolamine|1,1'-Iminobis(2-propanol)|1,1'-Iminobis[2-propanol]|1,1'-IMINODI-2-PROPANOL|1,1'-Iminodipropan-2-ol|1,1'-iminodipropane-2-ol|110924 DR DI-Isopropanolamine|2-Propanol, 1,1'-iminobis-|2-Propanol, 1,1'-iminodi-|2,2'-DIHYDROXYDIPROPYLAMIN|3-04-00-00761|Bis(2-hydroxypropyl)amine|Bis(2-propanol) amine|Bis(2-propanol)amine|BRN 0605363|Di-2-propanolamine|Di-Isopropanolamine|Dipropyl-2,2'-dihydroxy-amine|EINECS 203-820-9|N,N-Bis(2-hydroxypropyl)amine|N,N-Diisopropanolamine|NSC 4963|UNII-0W44HYL8T5|1141787-00-9|1335-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020179 https://doi.org/10.22427/NTP-DATA-DTXSID8020179
ARPathway2016 ARPathway2016_556 Diisopropanolamine 110-97-4 DTXSID8020179 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(O)CNCC(C)O Diisopropanolamine 110-97-4|Diisopropanolamine|1,1'-Iminobis(2-propanol)|1,1'-Iminobis[2-propanol]|1,1'-IMINODI-2-PROPANOL|1,1'-Iminodipropan-2-ol|1,1'-iminodipropane-2-ol|110924 DR DI-Isopropanolamine|2-Propanol, 1,1'-iminobis-|2-Propanol, 1,1'-iminodi-|2,2'-DIHYDROXYDIPROPYLAMIN|3-04-00-00761|Bis(2-hydroxypropyl)amine|Bis(2-propanol) amine|Bis(2-propanol)amine|BRN 0605363|Di-2-propanolamine|Di-Isopropanolamine|Dipropyl-2,2'-dihydroxy-amine|EINECS 203-820-9|N,N-Bis(2-hydroxypropyl)amine|N,N-Diisopropanolamine|NSC 4963|UNII-0W44HYL8T5|1141787-00-9|1335-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020179 https://doi.org/10.22427/NTP-DATA-DTXSID8020179
ARPathway2016 ARPathway2016_556 Diisopropanolamine 110-97-4 DTXSID8020179 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(O)CNCC(C)O Diisopropanolamine 110-97-4|Diisopropanolamine|1,1'-Iminobis(2-propanol)|1,1'-Iminobis[2-propanol]|1,1'-IMINODI-2-PROPANOL|1,1'-Iminodipropan-2-ol|1,1'-iminodipropane-2-ol|110924 DR DI-Isopropanolamine|2-Propanol, 1,1'-iminobis-|2-Propanol, 1,1'-iminodi-|2,2'-DIHYDROXYDIPROPYLAMIN|3-04-00-00761|Bis(2-hydroxypropyl)amine|Bis(2-propanol) amine|Bis(2-propanol)amine|BRN 0605363|Di-2-propanolamine|Di-Isopropanolamine|Dipropyl-2,2'-dihydroxy-amine|EINECS 203-820-9|N,N-Bis(2-hydroxypropyl)amine|N,N-Diisopropanolamine|NSC 4963|UNII-0W44HYL8T5|1141787-00-9|1335-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020179 https://doi.org/10.22427/NTP-DATA-DTXSID8020179
ERPathway2016 ERPathway2016_263 Diisopropanolamine 110-97-4 DTXSID8020179 ER Pathway Model, Antagonist AC50 22.2936425539403 uM CC(O)CNCC(C)O Diisopropanolamine 110-97-4|Diisopropanolamine|1,1'-Iminobis(2-propanol)|1,1'-Iminobis[2-propanol]|1,1'-IMINODI-2-PROPANOL|1,1'-Iminodipropan-2-ol|1,1'-iminodipropane-2-ol|110924 DR DI-Isopropanolamine|2-Propanol, 1,1'-iminobis-|2-Propanol, 1,1'-iminodi-|2,2'-DIHYDROXYDIPROPYLAMIN|3-04-00-00761|Bis(2-hydroxypropyl)amine|Bis(2-propanol) amine|Bis(2-propanol)amine|BRN 0605363|Di-2-propanolamine|Di-Isopropanolamine|Dipropyl-2,2'-dihydroxy-amine|EINECS 203-820-9|N,N-Bis(2-hydroxypropyl)amine|N,N-Diisopropanolamine|NSC 4963|UNII-0W44HYL8T5|1141787-00-9|1335-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020179 https://doi.org/10.22427/NTP-DATA-DTXSID8020179
ERPathway2016 ERPathway2016_263 Diisopropanolamine 110-97-4 DTXSID8020179 ER Pathway Model, Antagonist ACC 15.3802522623146 uM CC(O)CNCC(C)O Diisopropanolamine 110-97-4|Diisopropanolamine|1,1'-Iminobis(2-propanol)|1,1'-Iminobis[2-propanol]|1,1'-IMINODI-2-PROPANOL|1,1'-Iminodipropan-2-ol|1,1'-iminodipropane-2-ol|110924 DR DI-Isopropanolamine|2-Propanol, 1,1'-iminobis-|2-Propanol, 1,1'-iminodi-|2,2'-DIHYDROXYDIPROPYLAMIN|3-04-00-00761|Bis(2-hydroxypropyl)amine|Bis(2-propanol) amine|Bis(2-propanol)amine|BRN 0605363|Di-2-propanolamine|Di-Isopropanolamine|Dipropyl-2,2'-dihydroxy-amine|EINECS 203-820-9|N,N-Bis(2-hydroxypropyl)amine|N,N-Diisopropanolamine|NSC 4963|UNII-0W44HYL8T5|1141787-00-9|1335-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020179 https://doi.org/10.22427/NTP-DATA-DTXSID8020179
ERPathway2016 ERPathway2016_263 Diisopropanolamine 110-97-4 DTXSID8020179 ER Pathway Model, Agonist Model Score 0.0651 Unitless CC(O)CNCC(C)O Diisopropanolamine 110-97-4|Diisopropanolamine|1,1'-Iminobis(2-propanol)|1,1'-Iminobis[2-propanol]|1,1'-IMINODI-2-PROPANOL|1,1'-Iminodipropan-2-ol|1,1'-iminodipropane-2-ol|110924 DR DI-Isopropanolamine|2-Propanol, 1,1'-iminobis-|2-Propanol, 1,1'-iminodi-|2,2'-DIHYDROXYDIPROPYLAMIN|3-04-00-00761|Bis(2-hydroxypropyl)amine|Bis(2-propanol) amine|Bis(2-propanol)amine|BRN 0605363|Di-2-propanolamine|Di-Isopropanolamine|Dipropyl-2,2'-dihydroxy-amine|EINECS 203-820-9|N,N-Bis(2-hydroxypropyl)amine|N,N-Diisopropanolamine|NSC 4963|UNII-0W44HYL8T5|1141787-00-9|1335-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020179 https://doi.org/10.22427/NTP-DATA-DTXSID8020179
ERPathway2016 ERPathway2016_263 Diisopropanolamine 110-97-4 DTXSID8020179 ER Pathway Model, Antagonist Model Score 0 Unitless CC(O)CNCC(C)O Diisopropanolamine 110-97-4|Diisopropanolamine|1,1'-Iminobis(2-propanol)|1,1'-Iminobis[2-propanol]|1,1'-IMINODI-2-PROPANOL|1,1'-Iminodipropan-2-ol|1,1'-iminodipropane-2-ol|110924 DR DI-Isopropanolamine|2-Propanol, 1,1'-iminobis-|2-Propanol, 1,1'-iminodi-|2,2'-DIHYDROXYDIPROPYLAMIN|3-04-00-00761|Bis(2-hydroxypropyl)amine|Bis(2-propanol) amine|Bis(2-propanol)amine|BRN 0605363|Di-2-propanolamine|Di-Isopropanolamine|Dipropyl-2,2'-dihydroxy-amine|EINECS 203-820-9|N,N-Bis(2-hydroxypropyl)amine|N,N-Diisopropanolamine|NSC 4963|UNII-0W44HYL8T5|1141787-00-9|1335-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020179 https://doi.org/10.22427/NTP-DATA-DTXSID8020179
ERPathway2016 ERPathway2016_263 Diisopropanolamine 110-97-4 DTXSID8020179 ER Pathway Model, Agonist Call Inactive Unitless CC(O)CNCC(C)O Diisopropanolamine 110-97-4|Diisopropanolamine|1,1'-Iminobis(2-propanol)|1,1'-Iminobis[2-propanol]|1,1'-IMINODI-2-PROPANOL|1,1'-Iminodipropan-2-ol|1,1'-iminodipropane-2-ol|110924 DR DI-Isopropanolamine|2-Propanol, 1,1'-iminobis-|2-Propanol, 1,1'-iminodi-|2,2'-DIHYDROXYDIPROPYLAMIN|3-04-00-00761|Bis(2-hydroxypropyl)amine|Bis(2-propanol) amine|Bis(2-propanol)amine|BRN 0605363|Di-2-propanolamine|Di-Isopropanolamine|Dipropyl-2,2'-dihydroxy-amine|EINECS 203-820-9|N,N-Bis(2-hydroxypropyl)amine|N,N-Diisopropanolamine|NSC 4963|UNII-0W44HYL8T5|1141787-00-9|1335-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020179 https://doi.org/10.22427/NTP-DATA-DTXSID8020179
ERPathway2016 ERPathway2016_263 Diisopropanolamine 110-97-4 DTXSID8020179 ER Pathway Model, Antagonist Call Active Unitless CC(O)CNCC(C)O Diisopropanolamine 110-97-4|Diisopropanolamine|1,1'-Iminobis(2-propanol)|1,1'-Iminobis[2-propanol]|1,1'-IMINODI-2-PROPANOL|1,1'-Iminodipropan-2-ol|1,1'-iminodipropane-2-ol|110924 DR DI-Isopropanolamine|2-Propanol, 1,1'-iminobis-|2-Propanol, 1,1'-iminodi-|2,2'-DIHYDROXYDIPROPYLAMIN|3-04-00-00761|Bis(2-hydroxypropyl)amine|Bis(2-propanol) amine|Bis(2-propanol)amine|BRN 0605363|Di-2-propanolamine|Di-Isopropanolamine|Dipropyl-2,2'-dihydroxy-amine|EINECS 203-820-9|N,N-Bis(2-hydroxypropyl)amine|N,N-Diisopropanolamine|NSC 4963|UNII-0W44HYL8T5|1141787-00-9|1335-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020179 https://doi.org/10.22427/NTP-DATA-DTXSID8020179
ARPathway2016 ARPathway2016_1391 Diisopropyl phthalate 605-45-8 DTXSID2040731 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C Diisopropyl phthalate 605-45-8|Diisopropyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-bis(1-methylethyl) ester|1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester|BRN 1972723|Diisopropyl phthalic acid|EINECS 210-086-3|NSC 15315|UNII-BFC138Q4PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040731
ARPathway2016 ARPathway2016_1391 Diisopropyl phthalate 605-45-8 DTXSID2040731 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C Diisopropyl phthalate 605-45-8|Diisopropyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-bis(1-methylethyl) ester|1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester|BRN 1972723|Diisopropyl phthalic acid|EINECS 210-086-3|NSC 15315|UNII-BFC138Q4PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040731
ARPathway2016 ARPathway2016_1391 Diisopropyl phthalate 605-45-8 DTXSID2040731 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C Diisopropyl phthalate 605-45-8|Diisopropyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-bis(1-methylethyl) ester|1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester|BRN 1972723|Diisopropyl phthalic acid|EINECS 210-086-3|NSC 15315|UNII-BFC138Q4PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040731
ARPathway2016 ARPathway2016_1391 Diisopropyl phthalate 605-45-8 DTXSID2040731 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C Diisopropyl phthalate 605-45-8|Diisopropyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-bis(1-methylethyl) ester|1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester|BRN 1972723|Diisopropyl phthalic acid|EINECS 210-086-3|NSC 15315|UNII-BFC138Q4PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040731
ERPathway2016 ERPathway2016_402 Diisopropyl phthalate 605-45-8 DTXSID2040731 ER Pathway Model, Antagonist AC50 33.0528489919336 uM CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C Diisopropyl phthalate 605-45-8|Diisopropyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-bis(1-methylethyl) ester|1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester|BRN 1972723|Diisopropyl phthalic acid|EINECS 210-086-3|NSC 15315|UNII-BFC138Q4PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040731
ERPathway2016 ERPathway2016_402 Diisopropyl phthalate 605-45-8 DTXSID2040731 ER Pathway Model, Antagonist ACC 32.4092951411887 uM CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C Diisopropyl phthalate 605-45-8|Diisopropyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-bis(1-methylethyl) ester|1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester|BRN 1972723|Diisopropyl phthalic acid|EINECS 210-086-3|NSC 15315|UNII-BFC138Q4PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040731
ERPathway2016 ERPathway2016_402 Diisopropyl phthalate 605-45-8 DTXSID2040731 ER Pathway Model, Agonist Model Score 0.00932 Unitless CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C Diisopropyl phthalate 605-45-8|Diisopropyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-bis(1-methylethyl) ester|1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester|BRN 1972723|Diisopropyl phthalic acid|EINECS 210-086-3|NSC 15315|UNII-BFC138Q4PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040731
ERPathway2016 ERPathway2016_402 Diisopropyl phthalate 605-45-8 DTXSID2040731 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C Diisopropyl phthalate 605-45-8|Diisopropyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-bis(1-methylethyl) ester|1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester|BRN 1972723|Diisopropyl phthalic acid|EINECS 210-086-3|NSC 15315|UNII-BFC138Q4PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040731
ERPathway2016 ERPathway2016_402 Diisopropyl phthalate 605-45-8 DTXSID2040731 ER Pathway Model, Agonist Call Inactive Unitless CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C Diisopropyl phthalate 605-45-8|Diisopropyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-bis(1-methylethyl) ester|1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester|BRN 1972723|Diisopropyl phthalic acid|EINECS 210-086-3|NSC 15315|UNII-BFC138Q4PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040731
ERPathway2016 ERPathway2016_402 Diisopropyl phthalate 605-45-8 DTXSID2040731 ER Pathway Model, Antagonist Call Active Unitless CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C Diisopropyl phthalate 605-45-8|Diisopropyl phthalate|1,2-Benzenedicarboxylic acid, 1,2-bis(1-methylethyl) ester|1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester|BRN 1972723|Diisopropyl phthalic acid|EINECS 210-086-3|NSC 15315|UNII-BFC138Q4PX https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040731
ARPathway2016 ARPathway2016_1666 Dimethenamid 87674-68-8 DTXSID4032376 True antagonist shift (No hit/Hit) 2.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless COCC(C)N(C(=O)CCl)C1=C(C)SC=C1C Dimethenamid 87674-68-8|Dimethenamid|2-Chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)acetamide|2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide|Acetamide, 2-chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)-|BAS 565 H|dimethanamid|EC No.: 618-045-5|EPA Pesticide Chemical Code 129051|Fieldstar|Frontier|Frontier Herbicide|SAN 582H|SAN-582H https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032376
ARPathway2016 ARPathway2016_1666 Dimethenamid 87674-68-8 DTXSID4032376 True antagonist shift (No hit/Hit) 2.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless COCC(C)N(C(=O)CCl)C1=C(C)SC=C1C Dimethenamid 87674-68-8|Dimethenamid|2-Chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)acetamide|2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide|Acetamide, 2-chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)-|BAS 565 H|dimethanamid|EC No.: 618-045-5|EPA Pesticide Chemical Code 129051|Fieldstar|Frontier|Frontier Herbicide|SAN 582H|SAN-582H https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032376
ARPathway2016 ARPathway2016_1666 Dimethenamid 87674-68-8 DTXSID4032376 True antagonist shift (No hit/Hit) 2.0 R7 AR Pathway Model, Agonist Call Inactive Unitless COCC(C)N(C(=O)CCl)C1=C(C)SC=C1C Dimethenamid 87674-68-8|Dimethenamid|2-Chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)acetamide|2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide|Acetamide, 2-chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)-|BAS 565 H|dimethanamid|EC No.: 618-045-5|EPA Pesticide Chemical Code 129051|Fieldstar|Frontier|Frontier Herbicide|SAN 582H|SAN-582H https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032376
ARPathway2016 ARPathway2016_1666 Dimethenamid 87674-68-8 DTXSID4032376 True antagonist shift (No hit/Hit) 2.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless COCC(C)N(C(=O)CCl)C1=C(C)SC=C1C Dimethenamid 87674-68-8|Dimethenamid|2-Chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)acetamide|2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide|Acetamide, 2-chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)-|BAS 565 H|dimethanamid|EC No.: 618-045-5|EPA Pesticide Chemical Code 129051|Fieldstar|Frontier|Frontier Herbicide|SAN 582H|SAN-582H https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032376
ERPathway2016 ERPathway2016_609 Dimethenamid 87674-68-8 DTXSID4032376 A17 ER Pathway Model, Agonist Model Score 0 Unitless COCC(C)N(C(=O)CCl)C1=C(C)SC=C1C Dimethenamid 87674-68-8|Dimethenamid|2-Chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)acetamide|2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide|Acetamide, 2-chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)-|BAS 565 H|dimethanamid|EC No.: 618-045-5|EPA Pesticide Chemical Code 129051|Fieldstar|Frontier|Frontier Herbicide|SAN 582H|SAN-582H https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032376
ERPathway2016 ERPathway2016_609 Dimethenamid 87674-68-8 DTXSID4032376 A17 ER Pathway Model, Antagonist Model Score 0 Unitless COCC(C)N(C(=O)CCl)C1=C(C)SC=C1C Dimethenamid 87674-68-8|Dimethenamid|2-Chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)acetamide|2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide|Acetamide, 2-chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)-|BAS 565 H|dimethanamid|EC No.: 618-045-5|EPA Pesticide Chemical Code 129051|Fieldstar|Frontier|Frontier Herbicide|SAN 582H|SAN-582H https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032376
ERPathway2016 ERPathway2016_609 Dimethenamid 87674-68-8 DTXSID4032376 A17 ER Pathway Model, Agonist Call Inactive Unitless COCC(C)N(C(=O)CCl)C1=C(C)SC=C1C Dimethenamid 87674-68-8|Dimethenamid|2-Chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)acetamide|2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide|Acetamide, 2-chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)-|BAS 565 H|dimethanamid|EC No.: 618-045-5|EPA Pesticide Chemical Code 129051|Fieldstar|Frontier|Frontier Herbicide|SAN 582H|SAN-582H https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032376
ERPathway2016 ERPathway2016_609 Dimethenamid 87674-68-8 DTXSID4032376 A17 ER Pathway Model, Antagonist Call Inactive Unitless COCC(C)N(C(=O)CCl)C1=C(C)SC=C1C Dimethenamid 87674-68-8|Dimethenamid|2-Chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)acetamide|2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide|Acetamide, 2-chloro-N-(2,4-dimethyl-3-thienyl)-N-(2-methoxy-1-methylethyl)-|BAS 565 H|dimethanamid|EC No.: 618-045-5|EPA Pesticide Chemical Code 129051|Fieldstar|Frontier|Frontier Herbicide|SAN 582H|SAN-582H https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032376
ARPathway2016 ARPathway2016_1317 Dimethipin 55290-64-7 DTXSID0024052 FLAG: Wrong direction (Hit/No hit) -1.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(C)S(=O)(=O)CCS1(=O)=O Dimethipin 55290-64-7|Dimethipin|2,3-Dihydro-5,6-dimethyl-1,4-dithiin-1,1,4,4-tetraoxide|2,3-Dihydro-5,6-dimethyl-1,4-dithiine 1,1,4,4-tetraoxide|Caswell No. 472AA|EINECS 259-572-7|EPA Pesticide Chemical Code 118901|Harvade|Harvade-5F|Oxydimethiin|Tetrathiin|UNI-N252|UNII-HLV651AHBB https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024052
ARPathway2016 ARPathway2016_1317 Dimethipin 55290-64-7 DTXSID0024052 FLAG: Wrong direction (Hit/No hit) -1.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(C)S(=O)(=O)CCS1(=O)=O Dimethipin 55290-64-7|Dimethipin|2,3-Dihydro-5,6-dimethyl-1,4-dithiin-1,1,4,4-tetraoxide|2,3-Dihydro-5,6-dimethyl-1,4-dithiine 1,1,4,4-tetraoxide|Caswell No. 472AA|EINECS 259-572-7|EPA Pesticide Chemical Code 118901|Harvade|Harvade-5F|Oxydimethiin|Tetrathiin|UNI-N252|UNII-HLV651AHBB https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024052
ARPathway2016 ARPathway2016_1317 Dimethipin 55290-64-7 DTXSID0024052 FLAG: Wrong direction (Hit/No hit) -1.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(C)S(=O)(=O)CCS1(=O)=O Dimethipin 55290-64-7|Dimethipin|2,3-Dihydro-5,6-dimethyl-1,4-dithiin-1,1,4,4-tetraoxide|2,3-Dihydro-5,6-dimethyl-1,4-dithiine 1,1,4,4-tetraoxide|Caswell No. 472AA|EINECS 259-572-7|EPA Pesticide Chemical Code 118901|Harvade|Harvade-5F|Oxydimethiin|Tetrathiin|UNI-N252|UNII-HLV651AHBB https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024052
ARPathway2016 ARPathway2016_1317 Dimethipin 55290-64-7 DTXSID0024052 FLAG: Wrong direction (Hit/No hit) -1.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(C)S(=O)(=O)CCS1(=O)=O Dimethipin 55290-64-7|Dimethipin|2,3-Dihydro-5,6-dimethyl-1,4-dithiin-1,1,4,4-tetraoxide|2,3-Dihydro-5,6-dimethyl-1,4-dithiine 1,1,4,4-tetraoxide|Caswell No. 472AA|EINECS 259-572-7|EPA Pesticide Chemical Code 118901|Harvade|Harvade-5F|Oxydimethiin|Tetrathiin|UNI-N252|UNII-HLV651AHBB https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024052
ERPathway2016 ERPathway2016_1531 Dimethipin 55290-64-7 DTXSID0024052 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(C)S(=O)(=O)CCS1(=O)=O Dimethipin 55290-64-7|Dimethipin|2,3-Dihydro-5,6-dimethyl-1,4-dithiin-1,1,4,4-tetraoxide|2,3-Dihydro-5,6-dimethyl-1,4-dithiine 1,1,4,4-tetraoxide|Caswell No. 472AA|EINECS 259-572-7|EPA Pesticide Chemical Code 118901|Harvade|Harvade-5F|Oxydimethiin|Tetrathiin|UNI-N252|UNII-HLV651AHBB https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024052
ERPathway2016 ERPathway2016_1531 Dimethipin 55290-64-7 DTXSID0024052 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(C)S(=O)(=O)CCS1(=O)=O Dimethipin 55290-64-7|Dimethipin|2,3-Dihydro-5,6-dimethyl-1,4-dithiin-1,1,4,4-tetraoxide|2,3-Dihydro-5,6-dimethyl-1,4-dithiine 1,1,4,4-tetraoxide|Caswell No. 472AA|EINECS 259-572-7|EPA Pesticide Chemical Code 118901|Harvade|Harvade-5F|Oxydimethiin|Tetrathiin|UNI-N252|UNII-HLV651AHBB https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024052
ERPathway2016 ERPathway2016_1531 Dimethipin 55290-64-7 DTXSID0024052 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(C)S(=O)(=O)CCS1(=O)=O Dimethipin 55290-64-7|Dimethipin|2,3-Dihydro-5,6-dimethyl-1,4-dithiin-1,1,4,4-tetraoxide|2,3-Dihydro-5,6-dimethyl-1,4-dithiine 1,1,4,4-tetraoxide|Caswell No. 472AA|EINECS 259-572-7|EPA Pesticide Chemical Code 118901|Harvade|Harvade-5F|Oxydimethiin|Tetrathiin|UNI-N252|UNII-HLV651AHBB https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024052
ERPathway2016 ERPathway2016_1531 Dimethipin 55290-64-7 DTXSID0024052 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(C)S(=O)(=O)CCS1(=O)=O Dimethipin 55290-64-7|Dimethipin|2,3-Dihydro-5,6-dimethyl-1,4-dithiin-1,1,4,4-tetraoxide|2,3-Dihydro-5,6-dimethyl-1,4-dithiine 1,1,4,4-tetraoxide|Caswell No. 472AA|EINECS 259-572-7|EPA Pesticide Chemical Code 118901|Harvade|Harvade-5F|Oxydimethiin|Tetrathiin|UNI-N252|UNII-HLV651AHBB https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024052
ARPathway2016 ARPathway2016_1390 Dimethoate 60-51-5 DTXSID7020479 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)CSP(=S)(OC)OC Dimethoate 60-51-5|Dimethoate|2-Dimethoxyphosphinothioylthio-N-methylacetamide|8014 Bis HC|Aadimethoal|Acetic acid, O,O-dimethyldithiophosphoryl-, N-monomethylamide salt|Agrithoate 40EC|American Cyanamid 12,880|American cyanamid 12880|BRN 1785339|Caswell No. 358|Cekuthoate|Cerox|Chloromezyl|Cygon Insecticide|Danadim|Daphene|De-fend|Devigon|Dimate|Dimetate|Dimethoaat|Dimethoat|Dimethoat Tech 95%|Dimethoate 30 EC|Dimethogen|dimetoato|Dimeton|Dimevur|Dimezyl|Dithiophosphate de O,O-dimethyle et de S(-N-methylcarbamoyl-methyle)|Ditimur|Dudu Ethoate|EINECS 200-480-3|EPA Pesticide Chemical Code 035001|Experimental insecticide 12,880|Experimental Insecticide 12880|Ferkethion|Fortion NM|Fosfamid|Fosfatox R|Fosfotox|Fosfotox R|Fosfotox R 35|Fostion MM|Laition|Lurgo|N-Monomethylamide of O,O-dimethyldithiophosphorylacetic acid|NCI-C00135|O,O-Dimethyl methylcarbamoylmethyl phosphorodithioate|O,O-Dimethyl phosphorodithioate S-ester with 2-mercapto-N-methylacetamide|O,O-Dimethyl S-((methylcarbamoyl)methyl)phosphorodithioate|O,O-Dimethyl S-(2-(methylamin|11003-53-5|11096-20-1|56833-73-9|79956-18-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020479 https://doi.org/10.22427/NTP-DATA-DTXSID7020479
ARPathway2016 ARPathway2016_1390 Dimethoate 60-51-5 DTXSID7020479 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CNC(=O)CSP(=S)(OC)OC Dimethoate 60-51-5|Dimethoate|2-Dimethoxyphosphinothioylthio-N-methylacetamide|8014 Bis HC|Aadimethoal|Acetic acid, O,O-dimethyldithiophosphoryl-, N-monomethylamide salt|Agrithoate 40EC|American Cyanamid 12,880|American cyanamid 12880|BRN 1785339|Caswell No. 358|Cekuthoate|Cerox|Chloromezyl|Cygon Insecticide|Danadim|Daphene|De-fend|Devigon|Dimate|Dimetate|Dimethoaat|Dimethoat|Dimethoat Tech 95%|Dimethoate 30 EC|Dimethogen|dimetoato|Dimeton|Dimevur|Dimezyl|Dithiophosphate de O,O-dimethyle et de S(-N-methylcarbamoyl-methyle)|Ditimur|Dudu Ethoate|EINECS 200-480-3|EPA Pesticide Chemical Code 035001|Experimental insecticide 12,880|Experimental Insecticide 12880|Ferkethion|Fortion NM|Fosfamid|Fosfatox R|Fosfotox|Fosfotox R|Fosfotox R 35|Fostion MM|Laition|Lurgo|N-Monomethylamide of O,O-dimethyldithiophosphorylacetic acid|NCI-C00135|O,O-Dimethyl methylcarbamoylmethyl phosphorodithioate|O,O-Dimethyl phosphorodithioate S-ester with 2-mercapto-N-methylacetamide|O,O-Dimethyl S-((methylcarbamoyl)methyl)phosphorodithioate|O,O-Dimethyl S-(2-(methylamin|11003-53-5|11096-20-1|56833-73-9|79956-18-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020479 https://doi.org/10.22427/NTP-DATA-DTXSID7020479
ARPathway2016 ARPathway2016_1390 Dimethoate 60-51-5 DTXSID7020479 0.0 AR Pathway Model, Agonist Call Inactive Unitless CNC(=O)CSP(=S)(OC)OC Dimethoate 60-51-5|Dimethoate|2-Dimethoxyphosphinothioylthio-N-methylacetamide|8014 Bis HC|Aadimethoal|Acetic acid, O,O-dimethyldithiophosphoryl-, N-monomethylamide salt|Agrithoate 40EC|American Cyanamid 12,880|American cyanamid 12880|BRN 1785339|Caswell No. 358|Cekuthoate|Cerox|Chloromezyl|Cygon Insecticide|Danadim|Daphene|De-fend|Devigon|Dimate|Dimetate|Dimethoaat|Dimethoat|Dimethoat Tech 95%|Dimethoate 30 EC|Dimethogen|dimetoato|Dimeton|Dimevur|Dimezyl|Dithiophosphate de O,O-dimethyle et de S(-N-methylcarbamoyl-methyle)|Ditimur|Dudu Ethoate|EINECS 200-480-3|EPA Pesticide Chemical Code 035001|Experimental insecticide 12,880|Experimental Insecticide 12880|Ferkethion|Fortion NM|Fosfamid|Fosfatox R|Fosfotox|Fosfotox R|Fosfotox R 35|Fostion MM|Laition|Lurgo|N-Monomethylamide of O,O-dimethyldithiophosphorylacetic acid|NCI-C00135|O,O-Dimethyl methylcarbamoylmethyl phosphorodithioate|O,O-Dimethyl phosphorodithioate S-ester with 2-mercapto-N-methylacetamide|O,O-Dimethyl S-((methylcarbamoyl)methyl)phosphorodithioate|O,O-Dimethyl S-(2-(methylamin|11003-53-5|11096-20-1|56833-73-9|79956-18-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020479 https://doi.org/10.22427/NTP-DATA-DTXSID7020479
ARPathway2016 ARPathway2016_1390 Dimethoate 60-51-5 DTXSID7020479 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CNC(=O)CSP(=S)(OC)OC Dimethoate 60-51-5|Dimethoate|2-Dimethoxyphosphinothioylthio-N-methylacetamide|8014 Bis HC|Aadimethoal|Acetic acid, O,O-dimethyldithiophosphoryl-, N-monomethylamide salt|Agrithoate 40EC|American Cyanamid 12,880|American cyanamid 12880|BRN 1785339|Caswell No. 358|Cekuthoate|Cerox|Chloromezyl|Cygon Insecticide|Danadim|Daphene|De-fend|Devigon|Dimate|Dimetate|Dimethoaat|Dimethoat|Dimethoat Tech 95%|Dimethoate 30 EC|Dimethogen|dimetoato|Dimeton|Dimevur|Dimezyl|Dithiophosphate de O,O-dimethyle et de S(-N-methylcarbamoyl-methyle)|Ditimur|Dudu Ethoate|EINECS 200-480-3|EPA Pesticide Chemical Code 035001|Experimental insecticide 12,880|Experimental Insecticide 12880|Ferkethion|Fortion NM|Fosfamid|Fosfatox R|Fosfotox|Fosfotox R|Fosfotox R 35|Fostion MM|Laition|Lurgo|N-Monomethylamide of O,O-dimethyldithiophosphorylacetic acid|NCI-C00135|O,O-Dimethyl methylcarbamoylmethyl phosphorodithioate|O,O-Dimethyl phosphorodithioate S-ester with 2-mercapto-N-methylacetamide|O,O-Dimethyl S-((methylcarbamoyl)methyl)phosphorodithioate|O,O-Dimethyl S-(2-(methylamin|11003-53-5|11096-20-1|56833-73-9|79956-18-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020479 https://doi.org/10.22427/NTP-DATA-DTXSID7020479
ERPathway2016 ERPathway2016_1570 Dimethoate 60-51-5 DTXSID7020479 ER Pathway Model, Agonist Model Score 0 Unitless CNC(=O)CSP(=S)(OC)OC Dimethoate 60-51-5|Dimethoate|2-Dimethoxyphosphinothioylthio-N-methylacetamide|8014 Bis HC|Aadimethoal|Acetic acid, O,O-dimethyldithiophosphoryl-, N-monomethylamide salt|Agrithoate 40EC|American Cyanamid 12,880|American cyanamid 12880|BRN 1785339|Caswell No. 358|Cekuthoate|Cerox|Chloromezyl|Cygon Insecticide|Danadim|Daphene|De-fend|Devigon|Dimate|Dimetate|Dimethoaat|Dimethoat|Dimethoat Tech 95%|Dimethoate 30 EC|Dimethogen|dimetoato|Dimeton|Dimevur|Dimezyl|Dithiophosphate de O,O-dimethyle et de S(-N-methylcarbamoyl-methyle)|Ditimur|Dudu Ethoate|EINECS 200-480-3|EPA Pesticide Chemical Code 035001|Experimental insecticide 12,880|Experimental Insecticide 12880|Ferkethion|Fortion NM|Fosfamid|Fosfatox R|Fosfotox|Fosfotox R|Fosfotox R 35|Fostion MM|Laition|Lurgo|N-Monomethylamide of O,O-dimethyldithiophosphorylacetic acid|NCI-C00135|O,O-Dimethyl methylcarbamoylmethyl phosphorodithioate|O,O-Dimethyl phosphorodithioate S-ester with 2-mercapto-N-methylacetamide|O,O-Dimethyl S-((methylcarbamoyl)methyl)phosphorodithioate|O,O-Dimethyl S-(2-(methylamin|11003-53-5|11096-20-1|56833-73-9|79956-18-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020479 https://doi.org/10.22427/NTP-DATA-DTXSID7020479
ERPathway2016 ERPathway2016_1570 Dimethoate 60-51-5 DTXSID7020479 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)CSP(=S)(OC)OC Dimethoate 60-51-5|Dimethoate|2-Dimethoxyphosphinothioylthio-N-methylacetamide|8014 Bis HC|Aadimethoal|Acetic acid, O,O-dimethyldithiophosphoryl-, N-monomethylamide salt|Agrithoate 40EC|American Cyanamid 12,880|American cyanamid 12880|BRN 1785339|Caswell No. 358|Cekuthoate|Cerox|Chloromezyl|Cygon Insecticide|Danadim|Daphene|De-fend|Devigon|Dimate|Dimetate|Dimethoaat|Dimethoat|Dimethoat Tech 95%|Dimethoate 30 EC|Dimethogen|dimetoato|Dimeton|Dimevur|Dimezyl|Dithiophosphate de O,O-dimethyle et de S(-N-methylcarbamoyl-methyle)|Ditimur|Dudu Ethoate|EINECS 200-480-3|EPA Pesticide Chemical Code 035001|Experimental insecticide 12,880|Experimental Insecticide 12880|Ferkethion|Fortion NM|Fosfamid|Fosfatox R|Fosfotox|Fosfotox R|Fosfotox R 35|Fostion MM|Laition|Lurgo|N-Monomethylamide of O,O-dimethyldithiophosphorylacetic acid|NCI-C00135|O,O-Dimethyl methylcarbamoylmethyl phosphorodithioate|O,O-Dimethyl phosphorodithioate S-ester with 2-mercapto-N-methylacetamide|O,O-Dimethyl S-((methylcarbamoyl)methyl)phosphorodithioate|O,O-Dimethyl S-(2-(methylamin|11003-53-5|11096-20-1|56833-73-9|79956-18-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020479 https://doi.org/10.22427/NTP-DATA-DTXSID7020479
ERPathway2016 ERPathway2016_1570 Dimethoate 60-51-5 DTXSID7020479 ER Pathway Model, Agonist Call Inactive Unitless CNC(=O)CSP(=S)(OC)OC Dimethoate 60-51-5|Dimethoate|2-Dimethoxyphosphinothioylthio-N-methylacetamide|8014 Bis HC|Aadimethoal|Acetic acid, O,O-dimethyldithiophosphoryl-, N-monomethylamide salt|Agrithoate 40EC|American Cyanamid 12,880|American cyanamid 12880|BRN 1785339|Caswell No. 358|Cekuthoate|Cerox|Chloromezyl|Cygon Insecticide|Danadim|Daphene|De-fend|Devigon|Dimate|Dimetate|Dimethoaat|Dimethoat|Dimethoat Tech 95%|Dimethoate 30 EC|Dimethogen|dimetoato|Dimeton|Dimevur|Dimezyl|Dithiophosphate de O,O-dimethyle et de S(-N-methylcarbamoyl-methyle)|Ditimur|Dudu Ethoate|EINECS 200-480-3|EPA Pesticide Chemical Code 035001|Experimental insecticide 12,880|Experimental Insecticide 12880|Ferkethion|Fortion NM|Fosfamid|Fosfatox R|Fosfotox|Fosfotox R|Fosfotox R 35|Fostion MM|Laition|Lurgo|N-Monomethylamide of O,O-dimethyldithiophosphorylacetic acid|NCI-C00135|O,O-Dimethyl methylcarbamoylmethyl phosphorodithioate|O,O-Dimethyl phosphorodithioate S-ester with 2-mercapto-N-methylacetamide|O,O-Dimethyl S-((methylcarbamoyl)methyl)phosphorodithioate|O,O-Dimethyl S-(2-(methylamin|11003-53-5|11096-20-1|56833-73-9|79956-18-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020479 https://doi.org/10.22427/NTP-DATA-DTXSID7020479
ERPathway2016 ERPathway2016_1570 Dimethoate 60-51-5 DTXSID7020479 ER Pathway Model, Antagonist Call Inactive Unitless CNC(=O)CSP(=S)(OC)OC Dimethoate 60-51-5|Dimethoate|2-Dimethoxyphosphinothioylthio-N-methylacetamide|8014 Bis HC|Aadimethoal|Acetic acid, O,O-dimethyldithiophosphoryl-, N-monomethylamide salt|Agrithoate 40EC|American Cyanamid 12,880|American cyanamid 12880|BRN 1785339|Caswell No. 358|Cekuthoate|Cerox|Chloromezyl|Cygon Insecticide|Danadim|Daphene|De-fend|Devigon|Dimate|Dimetate|Dimethoaat|Dimethoat|Dimethoat Tech 95%|Dimethoate 30 EC|Dimethogen|dimetoato|Dimeton|Dimevur|Dimezyl|Dithiophosphate de O,O-dimethyle et de S(-N-methylcarbamoyl-methyle)|Ditimur|Dudu Ethoate|EINECS 200-480-3|EPA Pesticide Chemical Code 035001|Experimental insecticide 12,880|Experimental Insecticide 12880|Ferkethion|Fortion NM|Fosfamid|Fosfatox R|Fosfotox|Fosfotox R|Fosfotox R 35|Fostion MM|Laition|Lurgo|N-Monomethylamide of O,O-dimethyldithiophosphorylacetic acid|NCI-C00135|O,O-Dimethyl methylcarbamoylmethyl phosphorodithioate|O,O-Dimethyl phosphorodithioate S-ester with 2-mercapto-N-methylacetamide|O,O-Dimethyl S-((methylcarbamoyl)methyl)phosphorodithioate|O,O-Dimethyl S-(2-(methylamin|11003-53-5|11096-20-1|56833-73-9|79956-18-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020479 https://doi.org/10.22427/NTP-DATA-DTXSID7020479
ARPathway2016 ARPathway2016_16 Dimethomorph 110488-70-5 DTXSID7034545 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 1.84499217648783 uM COC1=C(OC)C=C(C=C1)C(=CC(=O)N1CCOCC1)C1=CC=C(Cl)C=C1 Dimethomorph 110488-70-5|Dimethomorph|(EZ)-4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acryloyl]morpholine|2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-|3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one|4-(3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine|404-200-2|600-969-5|Acrobat|Akrobat|Athlete|BAS 550 F|CME 151|EC No.: 404-200-2|EC No.: 600-969-5|EEC No.: 404-200-2|ELINCS No.: 404-200-2|Festival C|Forum|Forum (biocide)|Morpholine, 3-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-|UNII-3EXL2158GV|Xixianmalin|1135441-72-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034545
ARPathway2016 ARPathway2016_16 Dimethomorph 110488-70-5 DTXSID7034545 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 7.00211514533159 uM COC1=C(OC)C=C(C=C1)C(=CC(=O)N1CCOCC1)C1=CC=C(Cl)C=C1 Dimethomorph 110488-70-5|Dimethomorph|(EZ)-4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acryloyl]morpholine|2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-|3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one|4-(3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine|404-200-2|600-969-5|Acrobat|Akrobat|Athlete|BAS 550 F|CME 151|EC No.: 404-200-2|EC No.: 600-969-5|EEC No.: 404-200-2|ELINCS No.: 404-200-2|Festival C|Forum|Forum (biocide)|Morpholine, 3-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-|UNII-3EXL2158GV|Xixianmalin|1135441-72-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034545
ARPathway2016 ARPathway2016_16 Dimethomorph 110488-70-5 DTXSID7034545 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.237 Unitless COC1=C(OC)C=C(C=C1)C(=CC(=O)N1CCOCC1)C1=CC=C(Cl)C=C1 Dimethomorph 110488-70-5|Dimethomorph|(EZ)-4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acryloyl]morpholine|2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-|3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one|4-(3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine|404-200-2|600-969-5|Acrobat|Akrobat|Athlete|BAS 550 F|CME 151|EC No.: 404-200-2|EC No.: 600-969-5|EEC No.: 404-200-2|ELINCS No.: 404-200-2|Festival C|Forum|Forum (biocide)|Morpholine, 3-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-|UNII-3EXL2158GV|Xixianmalin|1135441-72-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034545
ARPathway2016 ARPathway2016_16 Dimethomorph 110488-70-5 DTXSID7034545 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless COC1=C(OC)C=C(C=C1)C(=CC(=O)N1CCOCC1)C1=CC=C(Cl)C=C1 Dimethomorph 110488-70-5|Dimethomorph|(EZ)-4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acryloyl]morpholine|2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-|3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one|4-(3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine|404-200-2|600-969-5|Acrobat|Akrobat|Athlete|BAS 550 F|CME 151|EC No.: 404-200-2|EC No.: 600-969-5|EEC No.: 404-200-2|ELINCS No.: 404-200-2|Festival C|Forum|Forum (biocide)|Morpholine, 3-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-|UNII-3EXL2158GV|Xixianmalin|1135441-72-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034545
ARPathway2016 ARPathway2016_16 Dimethomorph 110488-70-5 DTXSID7034545 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless COC1=C(OC)C=C(C=C1)C(=CC(=O)N1CCOCC1)C1=CC=C(Cl)C=C1 Dimethomorph 110488-70-5|Dimethomorph|(EZ)-4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acryloyl]morpholine|2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-|3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one|4-(3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine|404-200-2|600-969-5|Acrobat|Akrobat|Athlete|BAS 550 F|CME 151|EC No.: 404-200-2|EC No.: 600-969-5|EEC No.: 404-200-2|ELINCS No.: 404-200-2|Festival C|Forum|Forum (biocide)|Morpholine, 3-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-|UNII-3EXL2158GV|Xixianmalin|1135441-72-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034545
ARPathway2016 ARPathway2016_16 Dimethomorph 110488-70-5 DTXSID7034545 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless COC1=C(OC)C=C(C=C1)C(=CC(=O)N1CCOCC1)C1=CC=C(Cl)C=C1 Dimethomorph 110488-70-5|Dimethomorph|(EZ)-4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acryloyl]morpholine|2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-|3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one|4-(3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine|404-200-2|600-969-5|Acrobat|Akrobat|Athlete|BAS 550 F|CME 151|EC No.: 404-200-2|EC No.: 600-969-5|EEC No.: 404-200-2|ELINCS No.: 404-200-2|Festival C|Forum|Forum (biocide)|Morpholine, 3-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-|UNII-3EXL2158GV|Xixianmalin|1135441-72-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034545
ERPathway2016 ERPathway2016_1137 Dimethomorph 110488-70-5 DTXSID7034545 ER Pathway Model, Agonist Model Score 0 Unitless COC1=C(OC)C=C(C=C1)C(=CC(=O)N1CCOCC1)C1=CC=C(Cl)C=C1 Dimethomorph 110488-70-5|Dimethomorph|(EZ)-4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acryloyl]morpholine|2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-|3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one|4-(3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine|404-200-2|600-969-5|Acrobat|Akrobat|Athlete|BAS 550 F|CME 151|EC No.: 404-200-2|EC No.: 600-969-5|EEC No.: 404-200-2|ELINCS No.: 404-200-2|Festival C|Forum|Forum (biocide)|Morpholine, 3-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-|UNII-3EXL2158GV|Xixianmalin|1135441-72-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034545
ERPathway2016 ERPathway2016_1137 Dimethomorph 110488-70-5 DTXSID7034545 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=C(OC)C=C(C=C1)C(=CC(=O)N1CCOCC1)C1=CC=C(Cl)C=C1 Dimethomorph 110488-70-5|Dimethomorph|(EZ)-4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acryloyl]morpholine|2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-|3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one|4-(3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine|404-200-2|600-969-5|Acrobat|Akrobat|Athlete|BAS 550 F|CME 151|EC No.: 404-200-2|EC No.: 600-969-5|EEC No.: 404-200-2|ELINCS No.: 404-200-2|Festival C|Forum|Forum (biocide)|Morpholine, 3-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-|UNII-3EXL2158GV|Xixianmalin|1135441-72-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034545
ERPathway2016 ERPathway2016_1137 Dimethomorph 110488-70-5 DTXSID7034545 ER Pathway Model, Agonist Call Inactive Unitless COC1=C(OC)C=C(C=C1)C(=CC(=O)N1CCOCC1)C1=CC=C(Cl)C=C1 Dimethomorph 110488-70-5|Dimethomorph|(EZ)-4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acryloyl]morpholine|2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-|3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one|4-(3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine|404-200-2|600-969-5|Acrobat|Akrobat|Athlete|BAS 550 F|CME 151|EC No.: 404-200-2|EC No.: 600-969-5|EEC No.: 404-200-2|ELINCS No.: 404-200-2|Festival C|Forum|Forum (biocide)|Morpholine, 3-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-|UNII-3EXL2158GV|Xixianmalin|1135441-72-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034545
ERPathway2016 ERPathway2016_1137 Dimethomorph 110488-70-5 DTXSID7034545 ER Pathway Model, Antagonist Call Inactive Unitless COC1=C(OC)C=C(C=C1)C(=CC(=O)N1CCOCC1)C1=CC=C(Cl)C=C1 Dimethomorph 110488-70-5|Dimethomorph|(EZ)-4-[3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)acryloyl]morpholine|2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-|3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one|4-(3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine|404-200-2|600-969-5|Acrobat|Akrobat|Athlete|BAS 550 F|CME 151|EC No.: 404-200-2|EC No.: 600-969-5|EEC No.: 404-200-2|ELINCS No.: 404-200-2|Festival C|Forum|Forum (biocide)|Morpholine, 3-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-|UNII-3EXL2158GV|Xixianmalin|1135441-72-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034545
ARPathway2016 ARPathway2016_1629 Dimethoxane 828-00-2 DTXSID6020480 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1CC(OC(C)=O)OC(C)O1 Dimethoxane 828-00-2|Dimethoxane|1,3-Dioxan-4-ol, 2,6-dimethyl-, 4-acetate|2,4-Dimethyl-6-acetoxy-1,3-dioxane|2,4-Dimethyl-6-m-dioxanyl acetate|2,6-Dimethyl-1,3-dioxan-4-ol acetate|2,6-Dimethyl-1,3-dioxan-4-yl acetat|2,6-Dimethyl-m-dioxan-4-ol acetate|2,6-Dimethyl-m-dioxan-4-yl acetate|2,6-Dimethyl-meta-dioxan-4-ol acetate|2,6-Dimethyl-meta-dioxan-4-yl acetate|4-19-00-00641|6-Acetoxy-2,4-dimethyl-1,3-dioxane|6-Acetoxy-2,4-dimethyl-meta-dioxane|Acetic acid, 2,6-dimethyl-m-dioxan-4-yl ester|Acetomethoxane|BRN 0128710|Caswell No. 363|EINECS 212-579-9|EPA Pesticide Chemical Code 001001|G1V Gard DXN|GIV Gard DXN|GIV Gard DXN-CO|m-Dioxan-4-ol, 2,6-dimethyl-, acetate|NCI-C56213|UNII-S0859MSI8I|37235-59-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020480 https://doi.org/10.22427/NTP-DATA-DTXSID6020480
ARPathway2016 ARPathway2016_1629 Dimethoxane 828-00-2 DTXSID6020480 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1CC(OC(C)=O)OC(C)O1 Dimethoxane 828-00-2|Dimethoxane|1,3-Dioxan-4-ol, 2,6-dimethyl-, 4-acetate|2,4-Dimethyl-6-acetoxy-1,3-dioxane|2,4-Dimethyl-6-m-dioxanyl acetate|2,6-Dimethyl-1,3-dioxan-4-ol acetate|2,6-Dimethyl-1,3-dioxan-4-yl acetat|2,6-Dimethyl-m-dioxan-4-ol acetate|2,6-Dimethyl-m-dioxan-4-yl acetate|2,6-Dimethyl-meta-dioxan-4-ol acetate|2,6-Dimethyl-meta-dioxan-4-yl acetate|4-19-00-00641|6-Acetoxy-2,4-dimethyl-1,3-dioxane|6-Acetoxy-2,4-dimethyl-meta-dioxane|Acetic acid, 2,6-dimethyl-m-dioxan-4-yl ester|Acetomethoxane|BRN 0128710|Caswell No. 363|EINECS 212-579-9|EPA Pesticide Chemical Code 001001|G1V Gard DXN|GIV Gard DXN|GIV Gard DXN-CO|m-Dioxan-4-ol, 2,6-dimethyl-, acetate|NCI-C56213|UNII-S0859MSI8I|37235-59-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020480 https://doi.org/10.22427/NTP-DATA-DTXSID6020480
ARPathway2016 ARPathway2016_1629 Dimethoxane 828-00-2 DTXSID6020480 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1CC(OC(C)=O)OC(C)O1 Dimethoxane 828-00-2|Dimethoxane|1,3-Dioxan-4-ol, 2,6-dimethyl-, 4-acetate|2,4-Dimethyl-6-acetoxy-1,3-dioxane|2,4-Dimethyl-6-m-dioxanyl acetate|2,6-Dimethyl-1,3-dioxan-4-ol acetate|2,6-Dimethyl-1,3-dioxan-4-yl acetat|2,6-Dimethyl-m-dioxan-4-ol acetate|2,6-Dimethyl-m-dioxan-4-yl acetate|2,6-Dimethyl-meta-dioxan-4-ol acetate|2,6-Dimethyl-meta-dioxan-4-yl acetate|4-19-00-00641|6-Acetoxy-2,4-dimethyl-1,3-dioxane|6-Acetoxy-2,4-dimethyl-meta-dioxane|Acetic acid, 2,6-dimethyl-m-dioxan-4-yl ester|Acetomethoxane|BRN 0128710|Caswell No. 363|EINECS 212-579-9|EPA Pesticide Chemical Code 001001|G1V Gard DXN|GIV Gard DXN|GIV Gard DXN-CO|m-Dioxan-4-ol, 2,6-dimethyl-, acetate|NCI-C56213|UNII-S0859MSI8I|37235-59-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020480 https://doi.org/10.22427/NTP-DATA-DTXSID6020480
ARPathway2016 ARPathway2016_1629 Dimethoxane 828-00-2 DTXSID6020480 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1CC(OC(C)=O)OC(C)O1 Dimethoxane 828-00-2|Dimethoxane|1,3-Dioxan-4-ol, 2,6-dimethyl-, 4-acetate|2,4-Dimethyl-6-acetoxy-1,3-dioxane|2,4-Dimethyl-6-m-dioxanyl acetate|2,6-Dimethyl-1,3-dioxan-4-ol acetate|2,6-Dimethyl-1,3-dioxan-4-yl acetat|2,6-Dimethyl-m-dioxan-4-ol acetate|2,6-Dimethyl-m-dioxan-4-yl acetate|2,6-Dimethyl-meta-dioxan-4-ol acetate|2,6-Dimethyl-meta-dioxan-4-yl acetate|4-19-00-00641|6-Acetoxy-2,4-dimethyl-1,3-dioxane|6-Acetoxy-2,4-dimethyl-meta-dioxane|Acetic acid, 2,6-dimethyl-m-dioxan-4-yl ester|Acetomethoxane|BRN 0128710|Caswell No. 363|EINECS 212-579-9|EPA Pesticide Chemical Code 001001|G1V Gard DXN|GIV Gard DXN|GIV Gard DXN-CO|m-Dioxan-4-ol, 2,6-dimethyl-, acetate|NCI-C56213|UNII-S0859MSI8I|37235-59-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020480 https://doi.org/10.22427/NTP-DATA-DTXSID6020480
ERPathway2016 ERPathway2016_998 Dimethoxane 828-00-2 DTXSID6020480 ER Pathway Model, Agonist Model Score 0 Unitless CC1CC(OC(C)=O)OC(C)O1 Dimethoxane 828-00-2|Dimethoxane|1,3-Dioxan-4-ol, 2,6-dimethyl-, 4-acetate|2,4-Dimethyl-6-acetoxy-1,3-dioxane|2,4-Dimethyl-6-m-dioxanyl acetate|2,6-Dimethyl-1,3-dioxan-4-ol acetate|2,6-Dimethyl-1,3-dioxan-4-yl acetat|2,6-Dimethyl-m-dioxan-4-ol acetate|2,6-Dimethyl-m-dioxan-4-yl acetate|2,6-Dimethyl-meta-dioxan-4-ol acetate|2,6-Dimethyl-meta-dioxan-4-yl acetate|4-19-00-00641|6-Acetoxy-2,4-dimethyl-1,3-dioxane|6-Acetoxy-2,4-dimethyl-meta-dioxane|Acetic acid, 2,6-dimethyl-m-dioxan-4-yl ester|Acetomethoxane|BRN 0128710|Caswell No. 363|EINECS 212-579-9|EPA Pesticide Chemical Code 001001|G1V Gard DXN|GIV Gard DXN|GIV Gard DXN-CO|m-Dioxan-4-ol, 2,6-dimethyl-, acetate|NCI-C56213|UNII-S0859MSI8I|37235-59-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020480 https://doi.org/10.22427/NTP-DATA-DTXSID6020480
ERPathway2016 ERPathway2016_998 Dimethoxane 828-00-2 DTXSID6020480 ER Pathway Model, Antagonist Model Score 0 Unitless CC1CC(OC(C)=O)OC(C)O1 Dimethoxane 828-00-2|Dimethoxane|1,3-Dioxan-4-ol, 2,6-dimethyl-, 4-acetate|2,4-Dimethyl-6-acetoxy-1,3-dioxane|2,4-Dimethyl-6-m-dioxanyl acetate|2,6-Dimethyl-1,3-dioxan-4-ol acetate|2,6-Dimethyl-1,3-dioxan-4-yl acetat|2,6-Dimethyl-m-dioxan-4-ol acetate|2,6-Dimethyl-m-dioxan-4-yl acetate|2,6-Dimethyl-meta-dioxan-4-ol acetate|2,6-Dimethyl-meta-dioxan-4-yl acetate|4-19-00-00641|6-Acetoxy-2,4-dimethyl-1,3-dioxane|6-Acetoxy-2,4-dimethyl-meta-dioxane|Acetic acid, 2,6-dimethyl-m-dioxan-4-yl ester|Acetomethoxane|BRN 0128710|Caswell No. 363|EINECS 212-579-9|EPA Pesticide Chemical Code 001001|G1V Gard DXN|GIV Gard DXN|GIV Gard DXN-CO|m-Dioxan-4-ol, 2,6-dimethyl-, acetate|NCI-C56213|UNII-S0859MSI8I|37235-59-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020480 https://doi.org/10.22427/NTP-DATA-DTXSID6020480
ERPathway2016 ERPathway2016_998 Dimethoxane 828-00-2 DTXSID6020480 ER Pathway Model, Agonist Call Inactive Unitless CC1CC(OC(C)=O)OC(C)O1 Dimethoxane 828-00-2|Dimethoxane|1,3-Dioxan-4-ol, 2,6-dimethyl-, 4-acetate|2,4-Dimethyl-6-acetoxy-1,3-dioxane|2,4-Dimethyl-6-m-dioxanyl acetate|2,6-Dimethyl-1,3-dioxan-4-ol acetate|2,6-Dimethyl-1,3-dioxan-4-yl acetat|2,6-Dimethyl-m-dioxan-4-ol acetate|2,6-Dimethyl-m-dioxan-4-yl acetate|2,6-Dimethyl-meta-dioxan-4-ol acetate|2,6-Dimethyl-meta-dioxan-4-yl acetate|4-19-00-00641|6-Acetoxy-2,4-dimethyl-1,3-dioxane|6-Acetoxy-2,4-dimethyl-meta-dioxane|Acetic acid, 2,6-dimethyl-m-dioxan-4-yl ester|Acetomethoxane|BRN 0128710|Caswell No. 363|EINECS 212-579-9|EPA Pesticide Chemical Code 001001|G1V Gard DXN|GIV Gard DXN|GIV Gard DXN-CO|m-Dioxan-4-ol, 2,6-dimethyl-, acetate|NCI-C56213|UNII-S0859MSI8I|37235-59-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020480 https://doi.org/10.22427/NTP-DATA-DTXSID6020480
ERPathway2016 ERPathway2016_998 Dimethoxane 828-00-2 DTXSID6020480 ER Pathway Model, Antagonist Call Inactive Unitless CC1CC(OC(C)=O)OC(C)O1 Dimethoxane 828-00-2|Dimethoxane|1,3-Dioxan-4-ol, 2,6-dimethyl-, 4-acetate|2,4-Dimethyl-6-acetoxy-1,3-dioxane|2,4-Dimethyl-6-m-dioxanyl acetate|2,6-Dimethyl-1,3-dioxan-4-ol acetate|2,6-Dimethyl-1,3-dioxan-4-yl acetat|2,6-Dimethyl-m-dioxan-4-ol acetate|2,6-Dimethyl-m-dioxan-4-yl acetate|2,6-Dimethyl-meta-dioxan-4-ol acetate|2,6-Dimethyl-meta-dioxan-4-yl acetate|4-19-00-00641|6-Acetoxy-2,4-dimethyl-1,3-dioxane|6-Acetoxy-2,4-dimethyl-meta-dioxane|Acetic acid, 2,6-dimethyl-m-dioxan-4-yl ester|Acetomethoxane|BRN 0128710|Caswell No. 363|EINECS 212-579-9|EPA Pesticide Chemical Code 001001|G1V Gard DXN|GIV Gard DXN|GIV Gard DXN-CO|m-Dioxan-4-ol, 2,6-dimethyl-, acetate|NCI-C56213|UNII-S0859MSI8I|37235-59-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020480 https://doi.org/10.22427/NTP-DATA-DTXSID6020480
ARPathway2016 ARPathway2016_564 Dimethoxydimethylsilane 1112-39-6 DTXSID0042379 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CO[Si](C)(C)OC Dimethoxydimethylsilane 1112-39-6|Dimethoxydimethylsilane|Dimethoxydimethylsilan|DIMETHYLDIMETHOXYSILANE|dimetildimethoxysilano|EINECS 214-189-4|NSC 93882|Silane, dimethoxydimethyl-|103735-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042379
ARPathway2016 ARPathway2016_564 Dimethoxydimethylsilane 1112-39-6 DTXSID0042379 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CO[Si](C)(C)OC Dimethoxydimethylsilane 1112-39-6|Dimethoxydimethylsilane|Dimethoxydimethylsilan|DIMETHYLDIMETHOXYSILANE|dimetildimethoxysilano|EINECS 214-189-4|NSC 93882|Silane, dimethoxydimethyl-|103735-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042379
ARPathway2016 ARPathway2016_564 Dimethoxydimethylsilane 1112-39-6 DTXSID0042379 0.0 AR Pathway Model, Agonist Call Inactive Unitless CO[Si](C)(C)OC Dimethoxydimethylsilane 1112-39-6|Dimethoxydimethylsilane|Dimethoxydimethylsilan|DIMETHYLDIMETHOXYSILANE|dimetildimethoxysilano|EINECS 214-189-4|NSC 93882|Silane, dimethoxydimethyl-|103735-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042379
ARPathway2016 ARPathway2016_564 Dimethoxydimethylsilane 1112-39-6 DTXSID0042379 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CO[Si](C)(C)OC Dimethoxydimethylsilane 1112-39-6|Dimethoxydimethylsilane|Dimethoxydimethylsilan|DIMETHYLDIMETHOXYSILANE|dimetildimethoxysilano|EINECS 214-189-4|NSC 93882|Silane, dimethoxydimethyl-|103735-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042379
ERPathway2016 ERPathway2016_1150 Dimethoxydimethylsilane 1112-39-6 DTXSID0042379 ER Pathway Model, Agonist Model Score 0 Unitless CO[Si](C)(C)OC Dimethoxydimethylsilane 1112-39-6|Dimethoxydimethylsilane|Dimethoxydimethylsilan|DIMETHYLDIMETHOXYSILANE|dimetildimethoxysilano|EINECS 214-189-4|NSC 93882|Silane, dimethoxydimethyl-|103735-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042379
ERPathway2016 ERPathway2016_1150 Dimethoxydimethylsilane 1112-39-6 DTXSID0042379 ER Pathway Model, Antagonist Model Score 0 Unitless CO[Si](C)(C)OC Dimethoxydimethylsilane 1112-39-6|Dimethoxydimethylsilane|Dimethoxydimethylsilan|DIMETHYLDIMETHOXYSILANE|dimetildimethoxysilano|EINECS 214-189-4|NSC 93882|Silane, dimethoxydimethyl-|103735-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042379
ERPathway2016 ERPathway2016_1150 Dimethoxydimethylsilane 1112-39-6 DTXSID0042379 ER Pathway Model, Agonist Call Inactive Unitless CO[Si](C)(C)OC Dimethoxydimethylsilane 1112-39-6|Dimethoxydimethylsilane|Dimethoxydimethylsilan|DIMETHYLDIMETHOXYSILANE|dimetildimethoxysilano|EINECS 214-189-4|NSC 93882|Silane, dimethoxydimethyl-|103735-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042379
ERPathway2016 ERPathway2016_1150 Dimethoxydimethylsilane 1112-39-6 DTXSID0042379 ER Pathway Model, Antagonist Call Inactive Unitless CO[Si](C)(C)OC Dimethoxydimethylsilane 1112-39-6|Dimethoxydimethylsilane|Dimethoxydimethylsilan|DIMETHYLDIMETHOXYSILANE|dimetildimethoxysilano|EINECS 214-189-4|NSC 93882|Silane, dimethoxydimethyl-|103735-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042379
ARPathway2016 ARPathway2016_1420 Dimethyl adipate 627-93-0 DTXSID8025096 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)CCCCC(=O)OC Dimethyl adipate 627-93-0|Dimethyl adipate|1,6-Dimethyl hexanedioate|1,6-Dimethylhexanedioate|4-02-00-01959|Adipate de dimethyle|ADIPATE, DIMETHYL|adipato de dimetilo|Adipic acid dimethyl ester|Adipic acid, dimethyl ester|ADIPINSAEURE-DIMETHYLESTER|BRN 1707443|Dimethyl hexanedioate|Dimethyladipat|Dimethyladipate|EINECS 211-020-6|Hexanedioic acid dimethyl ester|Hexanedioic acid, 1,6-dimethyl ester|Hexanedioic acid, dimethyl ester|HEXANEDIOIC ACID,DIMETHYL ESTER|Methyl adipate|NSC 11213|UNII-BY71RX0R62|111366-61-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025096 https://doi.org/10.22427/NTP-DATA-DTXSID8025096
ARPathway2016 ARPathway2016_1420 Dimethyl adipate 627-93-0 DTXSID8025096 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)CCCCC(=O)OC Dimethyl adipate 627-93-0|Dimethyl adipate|1,6-Dimethyl hexanedioate|1,6-Dimethylhexanedioate|4-02-00-01959|Adipate de dimethyle|ADIPATE, DIMETHYL|adipato de dimetilo|Adipic acid dimethyl ester|Adipic acid, dimethyl ester|ADIPINSAEURE-DIMETHYLESTER|BRN 1707443|Dimethyl hexanedioate|Dimethyladipat|Dimethyladipate|EINECS 211-020-6|Hexanedioic acid dimethyl ester|Hexanedioic acid, 1,6-dimethyl ester|Hexanedioic acid, dimethyl ester|HEXANEDIOIC ACID,DIMETHYL ESTER|Methyl adipate|NSC 11213|UNII-BY71RX0R62|111366-61-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025096 https://doi.org/10.22427/NTP-DATA-DTXSID8025096
ARPathway2016 ARPathway2016_1420 Dimethyl adipate 627-93-0 DTXSID8025096 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)CCCCC(=O)OC Dimethyl adipate 627-93-0|Dimethyl adipate|1,6-Dimethyl hexanedioate|1,6-Dimethylhexanedioate|4-02-00-01959|Adipate de dimethyle|ADIPATE, DIMETHYL|adipato de dimetilo|Adipic acid dimethyl ester|Adipic acid, dimethyl ester|ADIPINSAEURE-DIMETHYLESTER|BRN 1707443|Dimethyl hexanedioate|Dimethyladipat|Dimethyladipate|EINECS 211-020-6|Hexanedioic acid dimethyl ester|Hexanedioic acid, 1,6-dimethyl ester|Hexanedioic acid, dimethyl ester|HEXANEDIOIC ACID,DIMETHYL ESTER|Methyl adipate|NSC 11213|UNII-BY71RX0R62|111366-61-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025096 https://doi.org/10.22427/NTP-DATA-DTXSID8025096
ARPathway2016 ARPathway2016_1420 Dimethyl adipate 627-93-0 DTXSID8025096 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)CCCCC(=O)OC Dimethyl adipate 627-93-0|Dimethyl adipate|1,6-Dimethyl hexanedioate|1,6-Dimethylhexanedioate|4-02-00-01959|Adipate de dimethyle|ADIPATE, DIMETHYL|adipato de dimetilo|Adipic acid dimethyl ester|Adipic acid, dimethyl ester|ADIPINSAEURE-DIMETHYLESTER|BRN 1707443|Dimethyl hexanedioate|Dimethyladipat|Dimethyladipate|EINECS 211-020-6|Hexanedioic acid dimethyl ester|Hexanedioic acid, 1,6-dimethyl ester|Hexanedioic acid, dimethyl ester|HEXANEDIOIC ACID,DIMETHYL ESTER|Methyl adipate|NSC 11213|UNII-BY71RX0R62|111366-61-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025096 https://doi.org/10.22427/NTP-DATA-DTXSID8025096
ERPathway2016 ERPathway2016_1584 Dimethyl adipate 627-93-0 DTXSID8025096 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)CCCCC(=O)OC Dimethyl adipate 627-93-0|Dimethyl adipate|1,6-Dimethyl hexanedioate|1,6-Dimethylhexanedioate|4-02-00-01959|Adipate de dimethyle|ADIPATE, DIMETHYL|adipato de dimetilo|Adipic acid dimethyl ester|Adipic acid, dimethyl ester|ADIPINSAEURE-DIMETHYLESTER|BRN 1707443|Dimethyl hexanedioate|Dimethyladipat|Dimethyladipate|EINECS 211-020-6|Hexanedioic acid dimethyl ester|Hexanedioic acid, 1,6-dimethyl ester|Hexanedioic acid, dimethyl ester|HEXANEDIOIC ACID,DIMETHYL ESTER|Methyl adipate|NSC 11213|UNII-BY71RX0R62|111366-61-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025096 https://doi.org/10.22427/NTP-DATA-DTXSID8025096
ERPathway2016 ERPathway2016_1584 Dimethyl adipate 627-93-0 DTXSID8025096 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)CCCCC(=O)OC Dimethyl adipate 627-93-0|Dimethyl adipate|1,6-Dimethyl hexanedioate|1,6-Dimethylhexanedioate|4-02-00-01959|Adipate de dimethyle|ADIPATE, DIMETHYL|adipato de dimetilo|Adipic acid dimethyl ester|Adipic acid, dimethyl ester|ADIPINSAEURE-DIMETHYLESTER|BRN 1707443|Dimethyl hexanedioate|Dimethyladipat|Dimethyladipate|EINECS 211-020-6|Hexanedioic acid dimethyl ester|Hexanedioic acid, 1,6-dimethyl ester|Hexanedioic acid, dimethyl ester|HEXANEDIOIC ACID,DIMETHYL ESTER|Methyl adipate|NSC 11213|UNII-BY71RX0R62|111366-61-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025096 https://doi.org/10.22427/NTP-DATA-DTXSID8025096
ERPathway2016 ERPathway2016_1584 Dimethyl adipate 627-93-0 DTXSID8025096 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)CCCCC(=O)OC Dimethyl adipate 627-93-0|Dimethyl adipate|1,6-Dimethyl hexanedioate|1,6-Dimethylhexanedioate|4-02-00-01959|Adipate de dimethyle|ADIPATE, DIMETHYL|adipato de dimetilo|Adipic acid dimethyl ester|Adipic acid, dimethyl ester|ADIPINSAEURE-DIMETHYLESTER|BRN 1707443|Dimethyl hexanedioate|Dimethyladipat|Dimethyladipate|EINECS 211-020-6|Hexanedioic acid dimethyl ester|Hexanedioic acid, 1,6-dimethyl ester|Hexanedioic acid, dimethyl ester|HEXANEDIOIC ACID,DIMETHYL ESTER|Methyl adipate|NSC 11213|UNII-BY71RX0R62|111366-61-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025096 https://doi.org/10.22427/NTP-DATA-DTXSID8025096
ERPathway2016 ERPathway2016_1584 Dimethyl adipate 627-93-0 DTXSID8025096 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)CCCCC(=O)OC Dimethyl adipate 627-93-0|Dimethyl adipate|1,6-Dimethyl hexanedioate|1,6-Dimethylhexanedioate|4-02-00-01959|Adipate de dimethyle|ADIPATE, DIMETHYL|adipato de dimetilo|Adipic acid dimethyl ester|Adipic acid, dimethyl ester|ADIPINSAEURE-DIMETHYLESTER|BRN 1707443|Dimethyl hexanedioate|Dimethyladipat|Dimethyladipate|EINECS 211-020-6|Hexanedioic acid dimethyl ester|Hexanedioic acid, 1,6-dimethyl ester|Hexanedioic acid, dimethyl ester|HEXANEDIOIC ACID,DIMETHYL ESTER|Methyl adipate|NSC 11213|UNII-BY71RX0R62|111366-61-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025096 https://doi.org/10.22427/NTP-DATA-DTXSID8025096
ARPathway2016 ARPathway2016_1744 Dimethyl cyclohexane-1,4-dicarboxylate 94-60-0 DTXSID3026566 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1CCC(CC1)C(=O)OC Dimethyl cyclohexane-1,4-dicarboxylate 94-60-0|Dimethyl cyclohexane-1,4-dicarboxylate|1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester|1,4-Cyclohexanedicarboxylic acid, dimethyl ester|Dimethyl 1,4-cyclohexanedicarboxylate|Dimethyl hexahydroterephthalate|EINECS 202-347-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026566 https://doi.org/10.22427/NTP-DATA-DTXSID3026566
ARPathway2016 ARPathway2016_1744 Dimethyl cyclohexane-1,4-dicarboxylate 94-60-0 DTXSID3026566 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1CCC(CC1)C(=O)OC Dimethyl cyclohexane-1,4-dicarboxylate 94-60-0|Dimethyl cyclohexane-1,4-dicarboxylate|1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester|1,4-Cyclohexanedicarboxylic acid, dimethyl ester|Dimethyl 1,4-cyclohexanedicarboxylate|Dimethyl hexahydroterephthalate|EINECS 202-347-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026566 https://doi.org/10.22427/NTP-DATA-DTXSID3026566
ARPathway2016 ARPathway2016_1744 Dimethyl cyclohexane-1,4-dicarboxylate 94-60-0 DTXSID3026566 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)C1CCC(CC1)C(=O)OC Dimethyl cyclohexane-1,4-dicarboxylate 94-60-0|Dimethyl cyclohexane-1,4-dicarboxylate|1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester|1,4-Cyclohexanedicarboxylic acid, dimethyl ester|Dimethyl 1,4-cyclohexanedicarboxylate|Dimethyl hexahydroterephthalate|EINECS 202-347-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026566 https://doi.org/10.22427/NTP-DATA-DTXSID3026566
ARPathway2016 ARPathway2016_1744 Dimethyl cyclohexane-1,4-dicarboxylate 94-60-0 DTXSID3026566 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1CCC(CC1)C(=O)OC Dimethyl cyclohexane-1,4-dicarboxylate 94-60-0|Dimethyl cyclohexane-1,4-dicarboxylate|1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester|1,4-Cyclohexanedicarboxylic acid, dimethyl ester|Dimethyl 1,4-cyclohexanedicarboxylate|Dimethyl hexahydroterephthalate|EINECS 202-347-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026566 https://doi.org/10.22427/NTP-DATA-DTXSID3026566
ERPathway2016 ERPathway2016_1755 Dimethyl cyclohexane-1,4-dicarboxylate 94-60-0 DTXSID3026566 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1CCC(CC1)C(=O)OC Dimethyl cyclohexane-1,4-dicarboxylate 94-60-0|Dimethyl cyclohexane-1,4-dicarboxylate|1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester|1,4-Cyclohexanedicarboxylic acid, dimethyl ester|Dimethyl 1,4-cyclohexanedicarboxylate|Dimethyl hexahydroterephthalate|EINECS 202-347-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026566 https://doi.org/10.22427/NTP-DATA-DTXSID3026566
ERPathway2016 ERPathway2016_1755 Dimethyl cyclohexane-1,4-dicarboxylate 94-60-0 DTXSID3026566 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1CCC(CC1)C(=O)OC Dimethyl cyclohexane-1,4-dicarboxylate 94-60-0|Dimethyl cyclohexane-1,4-dicarboxylate|1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester|1,4-Cyclohexanedicarboxylic acid, dimethyl ester|Dimethyl 1,4-cyclohexanedicarboxylate|Dimethyl hexahydroterephthalate|EINECS 202-347-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026566 https://doi.org/10.22427/NTP-DATA-DTXSID3026566
ERPathway2016 ERPathway2016_1755 Dimethyl cyclohexane-1,4-dicarboxylate 94-60-0 DTXSID3026566 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)C1CCC(CC1)C(=O)OC Dimethyl cyclohexane-1,4-dicarboxylate 94-60-0|Dimethyl cyclohexane-1,4-dicarboxylate|1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester|1,4-Cyclohexanedicarboxylic acid, dimethyl ester|Dimethyl 1,4-cyclohexanedicarboxylate|Dimethyl hexahydroterephthalate|EINECS 202-347-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026566 https://doi.org/10.22427/NTP-DATA-DTXSID3026566
ERPathway2016 ERPathway2016_1755 Dimethyl cyclohexane-1,4-dicarboxylate 94-60-0 DTXSID3026566 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1CCC(CC1)C(=O)OC Dimethyl cyclohexane-1,4-dicarboxylate 94-60-0|Dimethyl cyclohexane-1,4-dicarboxylate|1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester|1,4-Cyclohexanedicarboxylic acid, dimethyl ester|Dimethyl 1,4-cyclohexanedicarboxylate|Dimethyl hexahydroterephthalate|EINECS 202-347-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026566 https://doi.org/10.22427/NTP-DATA-DTXSID3026566
ARPathway2016 ARPathway2016_585 Dimethyl glutarate 1119-40-0 DTXSID3025122 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)CCCC(=O)OC Dimethyl glutarate 1119-40-0|Dimethyl glutarate|1,5-Dimethyl pentanedioate|DBE 5|Dimethyl 1,3-propanedicarboxylate|Dimethyl pentanedioate|Dimethylglutarat|EINECS 214-277-2|Glutarate de dimethyle|GLUTARATE, DIMETHYL|glutarato de dimetilo|Glutaric acid, dimethyl ester|GLUTARSAEURE-DIMETHYLESTER|Methyl glutarate|NSC 58578|Pentanedioic acid dimethyl ester|Pentanedioic acid, 1,5-dimethyl ester|Pentanedioic acid, dimethyl ester|PENTANEDIOIC ACID,DIMETHYL ESTER|UNII-1I9VFA346P|111366-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025122 https://doi.org/10.22427/NTP-DATA-DTXSID3025122
ARPathway2016 ARPathway2016_585 Dimethyl glutarate 1119-40-0 DTXSID3025122 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)CCCC(=O)OC Dimethyl glutarate 1119-40-0|Dimethyl glutarate|1,5-Dimethyl pentanedioate|DBE 5|Dimethyl 1,3-propanedicarboxylate|Dimethyl pentanedioate|Dimethylglutarat|EINECS 214-277-2|Glutarate de dimethyle|GLUTARATE, DIMETHYL|glutarato de dimetilo|Glutaric acid, dimethyl ester|GLUTARSAEURE-DIMETHYLESTER|Methyl glutarate|NSC 58578|Pentanedioic acid dimethyl ester|Pentanedioic acid, 1,5-dimethyl ester|Pentanedioic acid, dimethyl ester|PENTANEDIOIC ACID,DIMETHYL ESTER|UNII-1I9VFA346P|111366-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025122 https://doi.org/10.22427/NTP-DATA-DTXSID3025122
ARPathway2016 ARPathway2016_585 Dimethyl glutarate 1119-40-0 DTXSID3025122 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)CCCC(=O)OC Dimethyl glutarate 1119-40-0|Dimethyl glutarate|1,5-Dimethyl pentanedioate|DBE 5|Dimethyl 1,3-propanedicarboxylate|Dimethyl pentanedioate|Dimethylglutarat|EINECS 214-277-2|Glutarate de dimethyle|GLUTARATE, DIMETHYL|glutarato de dimetilo|Glutaric acid, dimethyl ester|GLUTARSAEURE-DIMETHYLESTER|Methyl glutarate|NSC 58578|Pentanedioic acid dimethyl ester|Pentanedioic acid, 1,5-dimethyl ester|Pentanedioic acid, dimethyl ester|PENTANEDIOIC ACID,DIMETHYL ESTER|UNII-1I9VFA346P|111366-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025122 https://doi.org/10.22427/NTP-DATA-DTXSID3025122
ARPathway2016 ARPathway2016_585 Dimethyl glutarate 1119-40-0 DTXSID3025122 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)CCCC(=O)OC Dimethyl glutarate 1119-40-0|Dimethyl glutarate|1,5-Dimethyl pentanedioate|DBE 5|Dimethyl 1,3-propanedicarboxylate|Dimethyl pentanedioate|Dimethylglutarat|EINECS 214-277-2|Glutarate de dimethyle|GLUTARATE, DIMETHYL|glutarato de dimetilo|Glutaric acid, dimethyl ester|GLUTARSAEURE-DIMETHYLESTER|Methyl glutarate|NSC 58578|Pentanedioic acid dimethyl ester|Pentanedioic acid, 1,5-dimethyl ester|Pentanedioic acid, dimethyl ester|PENTANEDIOIC ACID,DIMETHYL ESTER|UNII-1I9VFA346P|111366-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025122 https://doi.org/10.22427/NTP-DATA-DTXSID3025122
ERPathway2016 ERPathway2016_1162 Dimethyl glutarate 1119-40-0 DTXSID3025122 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)CCCC(=O)OC Dimethyl glutarate 1119-40-0|Dimethyl glutarate|1,5-Dimethyl pentanedioate|DBE 5|Dimethyl 1,3-propanedicarboxylate|Dimethyl pentanedioate|Dimethylglutarat|EINECS 214-277-2|Glutarate de dimethyle|GLUTARATE, DIMETHYL|glutarato de dimetilo|Glutaric acid, dimethyl ester|GLUTARSAEURE-DIMETHYLESTER|Methyl glutarate|NSC 58578|Pentanedioic acid dimethyl ester|Pentanedioic acid, 1,5-dimethyl ester|Pentanedioic acid, dimethyl ester|PENTANEDIOIC ACID,DIMETHYL ESTER|UNII-1I9VFA346P|111366-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025122 https://doi.org/10.22427/NTP-DATA-DTXSID3025122
ERPathway2016 ERPathway2016_1162 Dimethyl glutarate 1119-40-0 DTXSID3025122 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)CCCC(=O)OC Dimethyl glutarate 1119-40-0|Dimethyl glutarate|1,5-Dimethyl pentanedioate|DBE 5|Dimethyl 1,3-propanedicarboxylate|Dimethyl pentanedioate|Dimethylglutarat|EINECS 214-277-2|Glutarate de dimethyle|GLUTARATE, DIMETHYL|glutarato de dimetilo|Glutaric acid, dimethyl ester|GLUTARSAEURE-DIMETHYLESTER|Methyl glutarate|NSC 58578|Pentanedioic acid dimethyl ester|Pentanedioic acid, 1,5-dimethyl ester|Pentanedioic acid, dimethyl ester|PENTANEDIOIC ACID,DIMETHYL ESTER|UNII-1I9VFA346P|111366-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025122 https://doi.org/10.22427/NTP-DATA-DTXSID3025122
ERPathway2016 ERPathway2016_1162 Dimethyl glutarate 1119-40-0 DTXSID3025122 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)CCCC(=O)OC Dimethyl glutarate 1119-40-0|Dimethyl glutarate|1,5-Dimethyl pentanedioate|DBE 5|Dimethyl 1,3-propanedicarboxylate|Dimethyl pentanedioate|Dimethylglutarat|EINECS 214-277-2|Glutarate de dimethyle|GLUTARATE, DIMETHYL|glutarato de dimetilo|Glutaric acid, dimethyl ester|GLUTARSAEURE-DIMETHYLESTER|Methyl glutarate|NSC 58578|Pentanedioic acid dimethyl ester|Pentanedioic acid, 1,5-dimethyl ester|Pentanedioic acid, dimethyl ester|PENTANEDIOIC ACID,DIMETHYL ESTER|UNII-1I9VFA346P|111366-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025122 https://doi.org/10.22427/NTP-DATA-DTXSID3025122
ERPathway2016 ERPathway2016_1162 Dimethyl glutarate 1119-40-0 DTXSID3025122 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)CCCC(=O)OC Dimethyl glutarate 1119-40-0|Dimethyl glutarate|1,5-Dimethyl pentanedioate|DBE 5|Dimethyl 1,3-propanedicarboxylate|Dimethyl pentanedioate|Dimethylglutarat|EINECS 214-277-2|Glutarate de dimethyle|GLUTARATE, DIMETHYL|glutarato de dimetilo|Glutaric acid, dimethyl ester|GLUTARSAEURE-DIMETHYLESTER|Methyl glutarate|NSC 58578|Pentanedioic acid dimethyl ester|Pentanedioic acid, 1,5-dimethyl ester|Pentanedioic acid, dimethyl ester|PENTANEDIOIC ACID,DIMETHYL ESTER|UNII-1I9VFA346P|111366-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025122 https://doi.org/10.22427/NTP-DATA-DTXSID3025122
ARPathway2016 ARPathway2016_862 Dimethyl isophthalate 1459-93-4 DTXSID8027402 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=CC(=CC=C1)C(=O)OC Dimethyl isophthalate 1459-93-4|Dimethyl isophthalate|1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester|1,3-Benzenedicarboxylic acid, dimethyl ester|4-09-00-03293|BRN 1912251|Dimethyl 1,3-benzenedicarboxylate|Dimethyl m-phthalate|Dimethylester kyseliny isoftalove|EINECS 215-951-9|Isophthalic acid dimethyl ester|Isophthalic acid, dimethyl ester|Methyl 3-(carbomethoxy)benzoate|Methyl isophthalate|Morflex 1129|NSC 15313|UNII-2UY9Y3574K|1352054-39-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027402
ARPathway2016 ARPathway2016_862 Dimethyl isophthalate 1459-93-4 DTXSID8027402 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=CC(=CC=C1)C(=O)OC Dimethyl isophthalate 1459-93-4|Dimethyl isophthalate|1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester|1,3-Benzenedicarboxylic acid, dimethyl ester|4-09-00-03293|BRN 1912251|Dimethyl 1,3-benzenedicarboxylate|Dimethyl m-phthalate|Dimethylester kyseliny isoftalove|EINECS 215-951-9|Isophthalic acid dimethyl ester|Isophthalic acid, dimethyl ester|Methyl 3-(carbomethoxy)benzoate|Methyl isophthalate|Morflex 1129|NSC 15313|UNII-2UY9Y3574K|1352054-39-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027402
ARPathway2016 ARPathway2016_862 Dimethyl isophthalate 1459-93-4 DTXSID8027402 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=CC(=CC=C1)C(=O)OC Dimethyl isophthalate 1459-93-4|Dimethyl isophthalate|1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester|1,3-Benzenedicarboxylic acid, dimethyl ester|4-09-00-03293|BRN 1912251|Dimethyl 1,3-benzenedicarboxylate|Dimethyl m-phthalate|Dimethylester kyseliny isoftalove|EINECS 215-951-9|Isophthalic acid dimethyl ester|Isophthalic acid, dimethyl ester|Methyl 3-(carbomethoxy)benzoate|Methyl isophthalate|Morflex 1129|NSC 15313|UNII-2UY9Y3574K|1352054-39-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027402
ARPathway2016 ARPathway2016_862 Dimethyl isophthalate 1459-93-4 DTXSID8027402 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=CC(=CC=C1)C(=O)OC Dimethyl isophthalate 1459-93-4|Dimethyl isophthalate|1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester|1,3-Benzenedicarboxylic acid, dimethyl ester|4-09-00-03293|BRN 1912251|Dimethyl 1,3-benzenedicarboxylate|Dimethyl m-phthalate|Dimethylester kyseliny isoftalove|EINECS 215-951-9|Isophthalic acid dimethyl ester|Isophthalic acid, dimethyl ester|Methyl 3-(carbomethoxy)benzoate|Methyl isophthalate|Morflex 1129|NSC 15313|UNII-2UY9Y3574K|1352054-39-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027402
ERPathway2016 ERPathway2016_933 Dimethyl isophthalate 1459-93-4 DTXSID8027402 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=CC(=CC=C1)C(=O)OC Dimethyl isophthalate 1459-93-4|Dimethyl isophthalate|1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester|1,3-Benzenedicarboxylic acid, dimethyl ester|4-09-00-03293|BRN 1912251|Dimethyl 1,3-benzenedicarboxylate|Dimethyl m-phthalate|Dimethylester kyseliny isoftalove|EINECS 215-951-9|Isophthalic acid dimethyl ester|Isophthalic acid, dimethyl ester|Methyl 3-(carbomethoxy)benzoate|Methyl isophthalate|Morflex 1129|NSC 15313|UNII-2UY9Y3574K|1352054-39-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027402
ERPathway2016 ERPathway2016_933 Dimethyl isophthalate 1459-93-4 DTXSID8027402 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=CC(=CC=C1)C(=O)OC Dimethyl isophthalate 1459-93-4|Dimethyl isophthalate|1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester|1,3-Benzenedicarboxylic acid, dimethyl ester|4-09-00-03293|BRN 1912251|Dimethyl 1,3-benzenedicarboxylate|Dimethyl m-phthalate|Dimethylester kyseliny isoftalove|EINECS 215-951-9|Isophthalic acid dimethyl ester|Isophthalic acid, dimethyl ester|Methyl 3-(carbomethoxy)benzoate|Methyl isophthalate|Morflex 1129|NSC 15313|UNII-2UY9Y3574K|1352054-39-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027402
ERPathway2016 ERPathway2016_933 Dimethyl isophthalate 1459-93-4 DTXSID8027402 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=CC(=CC=C1)C(=O)OC Dimethyl isophthalate 1459-93-4|Dimethyl isophthalate|1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester|1,3-Benzenedicarboxylic acid, dimethyl ester|4-09-00-03293|BRN 1912251|Dimethyl 1,3-benzenedicarboxylate|Dimethyl m-phthalate|Dimethylester kyseliny isoftalove|EINECS 215-951-9|Isophthalic acid dimethyl ester|Isophthalic acid, dimethyl ester|Methyl 3-(carbomethoxy)benzoate|Methyl isophthalate|Morflex 1129|NSC 15313|UNII-2UY9Y3574K|1352054-39-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027402
ERPathway2016 ERPathway2016_933 Dimethyl isophthalate 1459-93-4 DTXSID8027402 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=CC(=CC=C1)C(=O)OC Dimethyl isophthalate 1459-93-4|Dimethyl isophthalate|1,3-Benzenedicarboxylic acid, 1,3-dimethyl ester|1,3-Benzenedicarboxylic acid, dimethyl ester|4-09-00-03293|BRN 1912251|Dimethyl 1,3-benzenedicarboxylate|Dimethyl m-phthalate|Dimethylester kyseliny isoftalove|EINECS 215-951-9|Isophthalic acid dimethyl ester|Isophthalic acid, dimethyl ester|Methyl 3-(carbomethoxy)benzoate|Methyl isophthalate|Morflex 1129|NSC 15313|UNII-2UY9Y3574K|1352054-39-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027402
ARPathway2016 ARPathway2016_514 Dimethyl malonate 108-59-8 DTXSID4029145 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)CC(=O)OC Dimethyl malonate 108-59-8|Dimethyl malonate|1,3-Dimethyl propanedioate|Dimethyl 1,3-propanedioate|Dimethyl propanedioate|Dimethylmalonat|EINECS 203-597-8|Malonate de dimethyle|malonato de dimetilo|Malonic acid, dimethyl ester|MALONSAEURE-DIMETHYLESTER|Methyl malonate|NSC 620046|PROPANEDIOATE, DIMETHYL|Propanedioic acid dimethyl ester|Propanedioic acid, 1,3-dimethyl ester|Propanedioic acid, dimethyl ester|UNII-EM8Y79998C https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029145
ARPathway2016 ARPathway2016_514 Dimethyl malonate 108-59-8 DTXSID4029145 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)CC(=O)OC Dimethyl malonate 108-59-8|Dimethyl malonate|1,3-Dimethyl propanedioate|Dimethyl 1,3-propanedioate|Dimethyl propanedioate|Dimethylmalonat|EINECS 203-597-8|Malonate de dimethyle|malonato de dimetilo|Malonic acid, dimethyl ester|MALONSAEURE-DIMETHYLESTER|Methyl malonate|NSC 620046|PROPANEDIOATE, DIMETHYL|Propanedioic acid dimethyl ester|Propanedioic acid, 1,3-dimethyl ester|Propanedioic acid, dimethyl ester|UNII-EM8Y79998C https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029145
ARPathway2016 ARPathway2016_514 Dimethyl malonate 108-59-8 DTXSID4029145 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)CC(=O)OC Dimethyl malonate 108-59-8|Dimethyl malonate|1,3-Dimethyl propanedioate|Dimethyl 1,3-propanedioate|Dimethyl propanedioate|Dimethylmalonat|EINECS 203-597-8|Malonate de dimethyle|malonato de dimetilo|Malonic acid, dimethyl ester|MALONSAEURE-DIMETHYLESTER|Methyl malonate|NSC 620046|PROPANEDIOATE, DIMETHYL|Propanedioic acid dimethyl ester|Propanedioic acid, 1,3-dimethyl ester|Propanedioic acid, dimethyl ester|UNII-EM8Y79998C https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029145
ARPathway2016 ARPathway2016_514 Dimethyl malonate 108-59-8 DTXSID4029145 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)CC(=O)OC Dimethyl malonate 108-59-8|Dimethyl malonate|1,3-Dimethyl propanedioate|Dimethyl 1,3-propanedioate|Dimethyl propanedioate|Dimethylmalonat|EINECS 203-597-8|Malonate de dimethyle|malonato de dimetilo|Malonic acid, dimethyl ester|MALONSAEURE-DIMETHYLESTER|Methyl malonate|NSC 620046|PROPANEDIOATE, DIMETHYL|Propanedioic acid dimethyl ester|Propanedioic acid, 1,3-dimethyl ester|Propanedioic acid, dimethyl ester|UNII-EM8Y79998C https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029145
ERPathway2016 ERPathway2016_1114 Dimethyl malonate 108-59-8 DTXSID4029145 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)CC(=O)OC Dimethyl malonate 108-59-8|Dimethyl malonate|1,3-Dimethyl propanedioate|Dimethyl 1,3-propanedioate|Dimethyl propanedioate|Dimethylmalonat|EINECS 203-597-8|Malonate de dimethyle|malonato de dimetilo|Malonic acid, dimethyl ester|MALONSAEURE-DIMETHYLESTER|Methyl malonate|NSC 620046|PROPANEDIOATE, DIMETHYL|Propanedioic acid dimethyl ester|Propanedioic acid, 1,3-dimethyl ester|Propanedioic acid, dimethyl ester|UNII-EM8Y79998C https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029145
ERPathway2016 ERPathway2016_1114 Dimethyl malonate 108-59-8 DTXSID4029145 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)CC(=O)OC Dimethyl malonate 108-59-8|Dimethyl malonate|1,3-Dimethyl propanedioate|Dimethyl 1,3-propanedioate|Dimethyl propanedioate|Dimethylmalonat|EINECS 203-597-8|Malonate de dimethyle|malonato de dimetilo|Malonic acid, dimethyl ester|MALONSAEURE-DIMETHYLESTER|Methyl malonate|NSC 620046|PROPANEDIOATE, DIMETHYL|Propanedioic acid dimethyl ester|Propanedioic acid, 1,3-dimethyl ester|Propanedioic acid, dimethyl ester|UNII-EM8Y79998C https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029145
ERPathway2016 ERPathway2016_1114 Dimethyl malonate 108-59-8 DTXSID4029145 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)CC(=O)OC Dimethyl malonate 108-59-8|Dimethyl malonate|1,3-Dimethyl propanedioate|Dimethyl 1,3-propanedioate|Dimethyl propanedioate|Dimethylmalonat|EINECS 203-597-8|Malonate de dimethyle|malonato de dimetilo|Malonic acid, dimethyl ester|MALONSAEURE-DIMETHYLESTER|Methyl malonate|NSC 620046|PROPANEDIOATE, DIMETHYL|Propanedioic acid dimethyl ester|Propanedioic acid, 1,3-dimethyl ester|Propanedioic acid, dimethyl ester|UNII-EM8Y79998C https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029145
ERPathway2016 ERPathway2016_1114 Dimethyl malonate 108-59-8 DTXSID4029145 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)CC(=O)OC Dimethyl malonate 108-59-8|Dimethyl malonate|1,3-Dimethyl propanedioate|Dimethyl 1,3-propanedioate|Dimethyl propanedioate|Dimethylmalonat|EINECS 203-597-8|Malonate de dimethyle|malonato de dimetilo|Malonic acid, dimethyl ester|MALONSAEURE-DIMETHYLESTER|Methyl malonate|NSC 620046|PROPANEDIOATE, DIMETHYL|Propanedioic acid dimethyl ester|Propanedioic acid, 1,3-dimethyl ester|Propanedioic acid, dimethyl ester|UNII-EM8Y79998C https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029145
ARPathway2016 ARPathway2016_1530 Dimethyl methylphosphonate 756-79-6 DTXSID0020494 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless COP(C)(=O)OC Dimethyl methylphosphonate 756-79-6|Dimethyl methylphosphonate|4-04-00-03499|BRN 0878263|Dimethoxymethyl phosphine oxide|Dimethoxymethylphosphine oxide|Dimethyl methanephosphonate|Dimethylmethylphosphonat|Dimethylmethylphosphonate|EINECS 212-052-3|Fran TF 2000|Fyrol DMMP|Metaran|Methanephosphonic acid dimethyl ester|Methyl phosphonic acid, dimethyl ester|Methylphosphonate de dimethyle|METHYLPHOSPHONATE, DIMETHYL|Methylphosphonic acid dimethyl ester|metilfosfonato de dimetilo|NCI-C54762|NSC 62240|O,O-Dimethyl methylphosphonate|Phosphonic acid, methyl-, dimethyl ester|Phosphonic acid, methyl-,dimethyl ester|Phosphonic acid, P-methyl-, dimethyl ester|Pyrol dmmp|Reoflam DMMP|UNII-20Z996230U|351011-43-3|880251-70-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020494 https://doi.org/10.22427/NTP-DATA-DTXSID0020494
ARPathway2016 ARPathway2016_1530 Dimethyl methylphosphonate 756-79-6 DTXSID0020494 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless COP(C)(=O)OC Dimethyl methylphosphonate 756-79-6|Dimethyl methylphosphonate|4-04-00-03499|BRN 0878263|Dimethoxymethyl phosphine oxide|Dimethoxymethylphosphine oxide|Dimethyl methanephosphonate|Dimethylmethylphosphonat|Dimethylmethylphosphonate|EINECS 212-052-3|Fran TF 2000|Fyrol DMMP|Metaran|Methanephosphonic acid dimethyl ester|Methyl phosphonic acid, dimethyl ester|Methylphosphonate de dimethyle|METHYLPHOSPHONATE, DIMETHYL|Methylphosphonic acid dimethyl ester|metilfosfonato de dimetilo|NCI-C54762|NSC 62240|O,O-Dimethyl methylphosphonate|Phosphonic acid, methyl-, dimethyl ester|Phosphonic acid, methyl-,dimethyl ester|Phosphonic acid, P-methyl-, dimethyl ester|Pyrol dmmp|Reoflam DMMP|UNII-20Z996230U|351011-43-3|880251-70-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020494 https://doi.org/10.22427/NTP-DATA-DTXSID0020494
ARPathway2016 ARPathway2016_1530 Dimethyl methylphosphonate 756-79-6 DTXSID0020494 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless COP(C)(=O)OC Dimethyl methylphosphonate 756-79-6|Dimethyl methylphosphonate|4-04-00-03499|BRN 0878263|Dimethoxymethyl phosphine oxide|Dimethoxymethylphosphine oxide|Dimethyl methanephosphonate|Dimethylmethylphosphonat|Dimethylmethylphosphonate|EINECS 212-052-3|Fran TF 2000|Fyrol DMMP|Metaran|Methanephosphonic acid dimethyl ester|Methyl phosphonic acid, dimethyl ester|Methylphosphonate de dimethyle|METHYLPHOSPHONATE, DIMETHYL|Methylphosphonic acid dimethyl ester|metilfosfonato de dimetilo|NCI-C54762|NSC 62240|O,O-Dimethyl methylphosphonate|Phosphonic acid, methyl-, dimethyl ester|Phosphonic acid, methyl-,dimethyl ester|Phosphonic acid, P-methyl-, dimethyl ester|Pyrol dmmp|Reoflam DMMP|UNII-20Z996230U|351011-43-3|880251-70-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020494 https://doi.org/10.22427/NTP-DATA-DTXSID0020494
ARPathway2016 ARPathway2016_1530 Dimethyl methylphosphonate 756-79-6 DTXSID0020494 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless COP(C)(=O)OC Dimethyl methylphosphonate 756-79-6|Dimethyl methylphosphonate|4-04-00-03499|BRN 0878263|Dimethoxymethyl phosphine oxide|Dimethoxymethylphosphine oxide|Dimethyl methanephosphonate|Dimethylmethylphosphonat|Dimethylmethylphosphonate|EINECS 212-052-3|Fran TF 2000|Fyrol DMMP|Metaran|Methanephosphonic acid dimethyl ester|Methyl phosphonic acid, dimethyl ester|Methylphosphonate de dimethyle|METHYLPHOSPHONATE, DIMETHYL|Methylphosphonic acid dimethyl ester|metilfosfonato de dimetilo|NCI-C54762|NSC 62240|O,O-Dimethyl methylphosphonate|Phosphonic acid, methyl-, dimethyl ester|Phosphonic acid, methyl-,dimethyl ester|Phosphonic acid, P-methyl-, dimethyl ester|Pyrol dmmp|Reoflam DMMP|UNII-20Z996230U|351011-43-3|880251-70-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020494 https://doi.org/10.22427/NTP-DATA-DTXSID0020494
ERPathway2016 ERPathway2016_1639 Dimethyl methylphosphonate 756-79-6 DTXSID0020494 ER Pathway Model, Agonist Model Score 0 Unitless COP(C)(=O)OC Dimethyl methylphosphonate 756-79-6|Dimethyl methylphosphonate|4-04-00-03499|BRN 0878263|Dimethoxymethyl phosphine oxide|Dimethoxymethylphosphine oxide|Dimethyl methanephosphonate|Dimethylmethylphosphonat|Dimethylmethylphosphonate|EINECS 212-052-3|Fran TF 2000|Fyrol DMMP|Metaran|Methanephosphonic acid dimethyl ester|Methyl phosphonic acid, dimethyl ester|Methylphosphonate de dimethyle|METHYLPHOSPHONATE, DIMETHYL|Methylphosphonic acid dimethyl ester|metilfosfonato de dimetilo|NCI-C54762|NSC 62240|O,O-Dimethyl methylphosphonate|Phosphonic acid, methyl-, dimethyl ester|Phosphonic acid, methyl-,dimethyl ester|Phosphonic acid, P-methyl-, dimethyl ester|Pyrol dmmp|Reoflam DMMP|UNII-20Z996230U|351011-43-3|880251-70-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020494 https://doi.org/10.22427/NTP-DATA-DTXSID0020494
ERPathway2016 ERPathway2016_1639 Dimethyl methylphosphonate 756-79-6 DTXSID0020494 ER Pathway Model, Antagonist Model Score 0 Unitless COP(C)(=O)OC Dimethyl methylphosphonate 756-79-6|Dimethyl methylphosphonate|4-04-00-03499|BRN 0878263|Dimethoxymethyl phosphine oxide|Dimethoxymethylphosphine oxide|Dimethyl methanephosphonate|Dimethylmethylphosphonat|Dimethylmethylphosphonate|EINECS 212-052-3|Fran TF 2000|Fyrol DMMP|Metaran|Methanephosphonic acid dimethyl ester|Methyl phosphonic acid, dimethyl ester|Methylphosphonate de dimethyle|METHYLPHOSPHONATE, DIMETHYL|Methylphosphonic acid dimethyl ester|metilfosfonato de dimetilo|NCI-C54762|NSC 62240|O,O-Dimethyl methylphosphonate|Phosphonic acid, methyl-, dimethyl ester|Phosphonic acid, methyl-,dimethyl ester|Phosphonic acid, P-methyl-, dimethyl ester|Pyrol dmmp|Reoflam DMMP|UNII-20Z996230U|351011-43-3|880251-70-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020494 https://doi.org/10.22427/NTP-DATA-DTXSID0020494
ERPathway2016 ERPathway2016_1639 Dimethyl methylphosphonate 756-79-6 DTXSID0020494 ER Pathway Model, Agonist Call Inactive Unitless COP(C)(=O)OC Dimethyl methylphosphonate 756-79-6|Dimethyl methylphosphonate|4-04-00-03499|BRN 0878263|Dimethoxymethyl phosphine oxide|Dimethoxymethylphosphine oxide|Dimethyl methanephosphonate|Dimethylmethylphosphonat|Dimethylmethylphosphonate|EINECS 212-052-3|Fran TF 2000|Fyrol DMMP|Metaran|Methanephosphonic acid dimethyl ester|Methyl phosphonic acid, dimethyl ester|Methylphosphonate de dimethyle|METHYLPHOSPHONATE, DIMETHYL|Methylphosphonic acid dimethyl ester|metilfosfonato de dimetilo|NCI-C54762|NSC 62240|O,O-Dimethyl methylphosphonate|Phosphonic acid, methyl-, dimethyl ester|Phosphonic acid, methyl-,dimethyl ester|Phosphonic acid, P-methyl-, dimethyl ester|Pyrol dmmp|Reoflam DMMP|UNII-20Z996230U|351011-43-3|880251-70-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020494 https://doi.org/10.22427/NTP-DATA-DTXSID0020494
ERPathway2016 ERPathway2016_1639 Dimethyl methylphosphonate 756-79-6 DTXSID0020494 ER Pathway Model, Antagonist Call Inactive Unitless COP(C)(=O)OC Dimethyl methylphosphonate 756-79-6|Dimethyl methylphosphonate|4-04-00-03499|BRN 0878263|Dimethoxymethyl phosphine oxide|Dimethoxymethylphosphine oxide|Dimethyl methanephosphonate|Dimethylmethylphosphonat|Dimethylmethylphosphonate|EINECS 212-052-3|Fran TF 2000|Fyrol DMMP|Metaran|Methanephosphonic acid dimethyl ester|Methyl phosphonic acid, dimethyl ester|Methylphosphonate de dimethyle|METHYLPHOSPHONATE, DIMETHYL|Methylphosphonic acid dimethyl ester|metilfosfonato de dimetilo|NCI-C54762|NSC 62240|O,O-Dimethyl methylphosphonate|Phosphonic acid, methyl-, dimethyl ester|Phosphonic acid, methyl-,dimethyl ester|Phosphonic acid, P-methyl-, dimethyl ester|Pyrol dmmp|Reoflam DMMP|UNII-20Z996230U|351011-43-3|880251-70-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020494 https://doi.org/10.22427/NTP-DATA-DTXSID0020494
ARPathway2016 ARPathway2016_1657 Dimethyl phosphonate 868-85-9 DTXSID5020493 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COP(=O)OC Dimethyl phosphonate 868-85-9|Dimethyl phosphonate|Bis(hydroxymethyl)phosphine oxide|Dimethoxyphosphine oxide|Dimethyl acid phosphite|Dimethyl hydrogen phosphite|Dimethyl hydrogen phosphonate|Dimethyl phosphite|dimethyl phosphonate|Dimethylester kyselini fosforite|Dimethylester kyseliny fosforite|Dimethylfosfit|Dimethylfosfonat|Dimethylhydrogenphosphite|DIMETHYLPHOSPHITE|Dimethylphosphonat|EINECS 212-783-8|fosfonato de dimetilo|Hydrogen dimethyl phosphite|Methyl phosphonate|Methyl phosphonate ((MeO)2HPO)|NCI-C54773|Phosphonate de dimethyle|Phosphonic acid dimethyl ester|Phosphonic acid, dimethyl ester|UN 1993|UNII-ST4TBO000H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020493
ARPathway2016 ARPathway2016_1657 Dimethyl phosphonate 868-85-9 DTXSID5020493 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COP(=O)OC Dimethyl phosphonate 868-85-9|Dimethyl phosphonate|Bis(hydroxymethyl)phosphine oxide|Dimethoxyphosphine oxide|Dimethyl acid phosphite|Dimethyl hydrogen phosphite|Dimethyl hydrogen phosphonate|Dimethyl phosphite|dimethyl phosphonate|Dimethylester kyselini fosforite|Dimethylester kyseliny fosforite|Dimethylfosfit|Dimethylfosfonat|Dimethylhydrogenphosphite|DIMETHYLPHOSPHITE|Dimethylphosphonat|EINECS 212-783-8|fosfonato de dimetilo|Hydrogen dimethyl phosphite|Methyl phosphonate|Methyl phosphonate ((MeO)2HPO)|NCI-C54773|Phosphonate de dimethyle|Phosphonic acid dimethyl ester|Phosphonic acid, dimethyl ester|UN 1993|UNII-ST4TBO000H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020493
ARPathway2016 ARPathway2016_1657 Dimethyl phosphonate 868-85-9 DTXSID5020493 0.0 AR Pathway Model, Agonist Call Inactive Unitless COP(=O)OC Dimethyl phosphonate 868-85-9|Dimethyl phosphonate|Bis(hydroxymethyl)phosphine oxide|Dimethoxyphosphine oxide|Dimethyl acid phosphite|Dimethyl hydrogen phosphite|Dimethyl hydrogen phosphonate|Dimethyl phosphite|dimethyl phosphonate|Dimethylester kyselini fosforite|Dimethylester kyseliny fosforite|Dimethylfosfit|Dimethylfosfonat|Dimethylhydrogenphosphite|DIMETHYLPHOSPHITE|Dimethylphosphonat|EINECS 212-783-8|fosfonato de dimetilo|Hydrogen dimethyl phosphite|Methyl phosphonate|Methyl phosphonate ((MeO)2HPO)|NCI-C54773|Phosphonate de dimethyle|Phosphonic acid dimethyl ester|Phosphonic acid, dimethyl ester|UN 1993|UNII-ST4TBO000H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020493
ARPathway2016 ARPathway2016_1657 Dimethyl phosphonate 868-85-9 DTXSID5020493 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COP(=O)OC Dimethyl phosphonate 868-85-9|Dimethyl phosphonate|Bis(hydroxymethyl)phosphine oxide|Dimethoxyphosphine oxide|Dimethyl acid phosphite|Dimethyl hydrogen phosphite|Dimethyl hydrogen phosphonate|Dimethyl phosphite|dimethyl phosphonate|Dimethylester kyselini fosforite|Dimethylester kyseliny fosforite|Dimethylfosfit|Dimethylfosfonat|Dimethylhydrogenphosphite|DIMETHYLPHOSPHITE|Dimethylphosphonat|EINECS 212-783-8|fosfonato de dimetilo|Hydrogen dimethyl phosphite|Methyl phosphonate|Methyl phosphonate ((MeO)2HPO)|NCI-C54773|Phosphonate de dimethyle|Phosphonic acid dimethyl ester|Phosphonic acid, dimethyl ester|UN 1993|UNII-ST4TBO000H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020493
ERPathway2016 ERPathway2016_15 Dimethyl phosphonate 868-85-9 DTXSID5020493 ER Pathway Model, Agonist AC50 24.3519803681493 uM COP(=O)OC Dimethyl phosphonate 868-85-9|Dimethyl phosphonate|Bis(hydroxymethyl)phosphine oxide|Dimethoxyphosphine oxide|Dimethyl acid phosphite|Dimethyl hydrogen phosphite|Dimethyl hydrogen phosphonate|Dimethyl phosphite|dimethyl phosphonate|Dimethylester kyselini fosforite|Dimethylester kyseliny fosforite|Dimethylfosfit|Dimethylfosfonat|Dimethylhydrogenphosphite|DIMETHYLPHOSPHITE|Dimethylphosphonat|EINECS 212-783-8|fosfonato de dimetilo|Hydrogen dimethyl phosphite|Methyl phosphonate|Methyl phosphonate ((MeO)2HPO)|NCI-C54773|Phosphonate de dimethyle|Phosphonic acid dimethyl ester|Phosphonic acid, dimethyl ester|UN 1993|UNII-ST4TBO000H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020493
ERPathway2016 ERPathway2016_15 Dimethyl phosphonate 868-85-9 DTXSID5020493 ER Pathway Model, Agonist ACC 19.0836477604744 uM COP(=O)OC Dimethyl phosphonate 868-85-9|Dimethyl phosphonate|Bis(hydroxymethyl)phosphine oxide|Dimethoxyphosphine oxide|Dimethyl acid phosphite|Dimethyl hydrogen phosphite|Dimethyl hydrogen phosphonate|Dimethyl phosphite|dimethyl phosphonate|Dimethylester kyselini fosforite|Dimethylester kyseliny fosforite|Dimethylfosfit|Dimethylfosfonat|Dimethylhydrogenphosphite|DIMETHYLPHOSPHITE|Dimethylphosphonat|EINECS 212-783-8|fosfonato de dimetilo|Hydrogen dimethyl phosphite|Methyl phosphonate|Methyl phosphonate ((MeO)2HPO)|NCI-C54773|Phosphonate de dimethyle|Phosphonic acid dimethyl ester|Phosphonic acid, dimethyl ester|UN 1993|UNII-ST4TBO000H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020493
ERPathway2016 ERPathway2016_15 Dimethyl phosphonate 868-85-9 DTXSID5020493 ER Pathway Model, Agonist Model Score 0.0148 Unitless COP(=O)OC Dimethyl phosphonate 868-85-9|Dimethyl phosphonate|Bis(hydroxymethyl)phosphine oxide|Dimethoxyphosphine oxide|Dimethyl acid phosphite|Dimethyl hydrogen phosphite|Dimethyl hydrogen phosphonate|Dimethyl phosphite|dimethyl phosphonate|Dimethylester kyselini fosforite|Dimethylester kyseliny fosforite|Dimethylfosfit|Dimethylfosfonat|Dimethylhydrogenphosphite|DIMETHYLPHOSPHITE|Dimethylphosphonat|EINECS 212-783-8|fosfonato de dimetilo|Hydrogen dimethyl phosphite|Methyl phosphonate|Methyl phosphonate ((MeO)2HPO)|NCI-C54773|Phosphonate de dimethyle|Phosphonic acid dimethyl ester|Phosphonic acid, dimethyl ester|UN 1993|UNII-ST4TBO000H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020493
ERPathway2016 ERPathway2016_15 Dimethyl phosphonate 868-85-9 DTXSID5020493 ER Pathway Model, Antagonist Model Score 0.0437 Unitless COP(=O)OC Dimethyl phosphonate 868-85-9|Dimethyl phosphonate|Bis(hydroxymethyl)phosphine oxide|Dimethoxyphosphine oxide|Dimethyl acid phosphite|Dimethyl hydrogen phosphite|Dimethyl hydrogen phosphonate|Dimethyl phosphite|dimethyl phosphonate|Dimethylester kyselini fosforite|Dimethylester kyseliny fosforite|Dimethylfosfit|Dimethylfosfonat|Dimethylhydrogenphosphite|DIMETHYLPHOSPHITE|Dimethylphosphonat|EINECS 212-783-8|fosfonato de dimetilo|Hydrogen dimethyl phosphite|Methyl phosphonate|Methyl phosphonate ((MeO)2HPO)|NCI-C54773|Phosphonate de dimethyle|Phosphonic acid dimethyl ester|Phosphonic acid, dimethyl ester|UN 1993|UNII-ST4TBO000H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020493
ERPathway2016 ERPathway2016_15 Dimethyl phosphonate 868-85-9 DTXSID5020493 ER Pathway Model, Agonist Call Active Unitless COP(=O)OC Dimethyl phosphonate 868-85-9|Dimethyl phosphonate|Bis(hydroxymethyl)phosphine oxide|Dimethoxyphosphine oxide|Dimethyl acid phosphite|Dimethyl hydrogen phosphite|Dimethyl hydrogen phosphonate|Dimethyl phosphite|dimethyl phosphonate|Dimethylester kyselini fosforite|Dimethylester kyseliny fosforite|Dimethylfosfit|Dimethylfosfonat|Dimethylhydrogenphosphite|DIMETHYLPHOSPHITE|Dimethylphosphonat|EINECS 212-783-8|fosfonato de dimetilo|Hydrogen dimethyl phosphite|Methyl phosphonate|Methyl phosphonate ((MeO)2HPO)|NCI-C54773|Phosphonate de dimethyle|Phosphonic acid dimethyl ester|Phosphonic acid, dimethyl ester|UN 1993|UNII-ST4TBO000H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020493
ERPathway2016 ERPathway2016_15 Dimethyl phosphonate 868-85-9 DTXSID5020493 ER Pathway Model, Antagonist Call Inactive Unitless COP(=O)OC Dimethyl phosphonate 868-85-9|Dimethyl phosphonate|Bis(hydroxymethyl)phosphine oxide|Dimethoxyphosphine oxide|Dimethyl acid phosphite|Dimethyl hydrogen phosphite|Dimethyl hydrogen phosphonate|Dimethyl phosphite|dimethyl phosphonate|Dimethylester kyselini fosforite|Dimethylester kyseliny fosforite|Dimethylfosfit|Dimethylfosfonat|Dimethylhydrogenphosphite|DIMETHYLPHOSPHITE|Dimethylphosphonat|EINECS 212-783-8|fosfonato de dimetilo|Hydrogen dimethyl phosphite|Methyl phosphonate|Methyl phosphonate ((MeO)2HPO)|NCI-C54773|Phosphonate de dimethyle|Phosphonic acid dimethyl ester|Phosphonic acid, dimethyl ester|UN 1993|UNII-ST4TBO000H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020493
ARPathway2016 ARPathway2016_774 Dimethyl phthalate 131-11-3 DTXSID3022455 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=C(C=CC=C1)C(=O)OC Dimethyl phthalate 131-11-3|Dimethyl phthalate|1,2-Benzenecarboxylic acid, dimethyl ester|1,2-Benzenedicarboxylic acid dimethyl ester|1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester|1,2-Benzenedicarboxylic acid, dimethyl ester|Caswell No. 380|Dimethyl 1,2-benzenedicarboxylate|Dimethyl benzene-o-dicarboxylate|Dimethyl benzeneorthodicarboxylate|Dimethyl o-phthalate|Dimethyl pthalate|Dimethylester kyseliny ftalove|Dimethylphthalat|EINECS 205-011-6|EPA Pesticide Chemical Code 028002|Fermine|ftalato de dimetilo|NSC 15398|Palatinol M|Phtalate de dimethyle|PHTHALATE, DIMETHYL|Phthalic acid dimethyl ester|Phthalic acid, dimethyl ester|PHTHALSAEURE-DIMETHYLESTER|Phthalsaeuredimethylester|RCRA waste number U102|Repeftal|Solvanom|Solvarone|UNII-08X7F5UDJM|Unimoll DM|1352054-35-3|64441-70-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022455 https://doi.org/10.22427/NTP-DATA-DTXSID3022455
ARPathway2016 ARPathway2016_774 Dimethyl phthalate 131-11-3 DTXSID3022455 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=C(C=CC=C1)C(=O)OC Dimethyl phthalate 131-11-3|Dimethyl phthalate|1,2-Benzenecarboxylic acid, dimethyl ester|1,2-Benzenedicarboxylic acid dimethyl ester|1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester|1,2-Benzenedicarboxylic acid, dimethyl ester|Caswell No. 380|Dimethyl 1,2-benzenedicarboxylate|Dimethyl benzene-o-dicarboxylate|Dimethyl benzeneorthodicarboxylate|Dimethyl o-phthalate|Dimethyl pthalate|Dimethylester kyseliny ftalove|Dimethylphthalat|EINECS 205-011-6|EPA Pesticide Chemical Code 028002|Fermine|ftalato de dimetilo|NSC 15398|Palatinol M|Phtalate de dimethyle|PHTHALATE, DIMETHYL|Phthalic acid dimethyl ester|Phthalic acid, dimethyl ester|PHTHALSAEURE-DIMETHYLESTER|Phthalsaeuredimethylester|RCRA waste number U102|Repeftal|Solvanom|Solvarone|UNII-08X7F5UDJM|Unimoll DM|1352054-35-3|64441-70-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022455 https://doi.org/10.22427/NTP-DATA-DTXSID3022455
ARPathway2016 ARPathway2016_774 Dimethyl phthalate 131-11-3 DTXSID3022455 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=C(C=CC=C1)C(=O)OC Dimethyl phthalate 131-11-3|Dimethyl phthalate|1,2-Benzenecarboxylic acid, dimethyl ester|1,2-Benzenedicarboxylic acid dimethyl ester|1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester|1,2-Benzenedicarboxylic acid, dimethyl ester|Caswell No. 380|Dimethyl 1,2-benzenedicarboxylate|Dimethyl benzene-o-dicarboxylate|Dimethyl benzeneorthodicarboxylate|Dimethyl o-phthalate|Dimethyl pthalate|Dimethylester kyseliny ftalove|Dimethylphthalat|EINECS 205-011-6|EPA Pesticide Chemical Code 028002|Fermine|ftalato de dimetilo|NSC 15398|Palatinol M|Phtalate de dimethyle|PHTHALATE, DIMETHYL|Phthalic acid dimethyl ester|Phthalic acid, dimethyl ester|PHTHALSAEURE-DIMETHYLESTER|Phthalsaeuredimethylester|RCRA waste number U102|Repeftal|Solvanom|Solvarone|UNII-08X7F5UDJM|Unimoll DM|1352054-35-3|64441-70-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022455 https://doi.org/10.22427/NTP-DATA-DTXSID3022455
ARPathway2016 ARPathway2016_774 Dimethyl phthalate 131-11-3 DTXSID3022455 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=C(C=CC=C1)C(=O)OC Dimethyl phthalate 131-11-3|Dimethyl phthalate|1,2-Benzenecarboxylic acid, dimethyl ester|1,2-Benzenedicarboxylic acid dimethyl ester|1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester|1,2-Benzenedicarboxylic acid, dimethyl ester|Caswell No. 380|Dimethyl 1,2-benzenedicarboxylate|Dimethyl benzene-o-dicarboxylate|Dimethyl benzeneorthodicarboxylate|Dimethyl o-phthalate|Dimethyl pthalate|Dimethylester kyseliny ftalove|Dimethylphthalat|EINECS 205-011-6|EPA Pesticide Chemical Code 028002|Fermine|ftalato de dimetilo|NSC 15398|Palatinol M|Phtalate de dimethyle|PHTHALATE, DIMETHYL|Phthalic acid dimethyl ester|Phthalic acid, dimethyl ester|PHTHALSAEURE-DIMETHYLESTER|Phthalsaeuredimethylester|RCRA waste number U102|Repeftal|Solvanom|Solvarone|UNII-08X7F5UDJM|Unimoll DM|1352054-35-3|64441-70-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022455 https://doi.org/10.22427/NTP-DATA-DTXSID3022455
ERPathway2016 ERPathway2016_1270 Dimethyl phthalate 131-11-3 DTXSID3022455 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=C(C=CC=C1)C(=O)OC Dimethyl phthalate 131-11-3|Dimethyl phthalate|1,2-Benzenecarboxylic acid, dimethyl ester|1,2-Benzenedicarboxylic acid dimethyl ester|1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester|1,2-Benzenedicarboxylic acid, dimethyl ester|Caswell No. 380|Dimethyl 1,2-benzenedicarboxylate|Dimethyl benzene-o-dicarboxylate|Dimethyl benzeneorthodicarboxylate|Dimethyl o-phthalate|Dimethyl pthalate|Dimethylester kyseliny ftalove|Dimethylphthalat|EINECS 205-011-6|EPA Pesticide Chemical Code 028002|Fermine|ftalato de dimetilo|NSC 15398|Palatinol M|Phtalate de dimethyle|PHTHALATE, DIMETHYL|Phthalic acid dimethyl ester|Phthalic acid, dimethyl ester|PHTHALSAEURE-DIMETHYLESTER|Phthalsaeuredimethylester|RCRA waste number U102|Repeftal|Solvanom|Solvarone|UNII-08X7F5UDJM|Unimoll DM|1352054-35-3|64441-70-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022455 https://doi.org/10.22427/NTP-DATA-DTXSID3022455
ERPathway2016 ERPathway2016_1270 Dimethyl phthalate 131-11-3 DTXSID3022455 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=C(C=CC=C1)C(=O)OC Dimethyl phthalate 131-11-3|Dimethyl phthalate|1,2-Benzenecarboxylic acid, dimethyl ester|1,2-Benzenedicarboxylic acid dimethyl ester|1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester|1,2-Benzenedicarboxylic acid, dimethyl ester|Caswell No. 380|Dimethyl 1,2-benzenedicarboxylate|Dimethyl benzene-o-dicarboxylate|Dimethyl benzeneorthodicarboxylate|Dimethyl o-phthalate|Dimethyl pthalate|Dimethylester kyseliny ftalove|Dimethylphthalat|EINECS 205-011-6|EPA Pesticide Chemical Code 028002|Fermine|ftalato de dimetilo|NSC 15398|Palatinol M|Phtalate de dimethyle|PHTHALATE, DIMETHYL|Phthalic acid dimethyl ester|Phthalic acid, dimethyl ester|PHTHALSAEURE-DIMETHYLESTER|Phthalsaeuredimethylester|RCRA waste number U102|Repeftal|Solvanom|Solvarone|UNII-08X7F5UDJM|Unimoll DM|1352054-35-3|64441-70-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022455 https://doi.org/10.22427/NTP-DATA-DTXSID3022455
ERPathway2016 ERPathway2016_1270 Dimethyl phthalate 131-11-3 DTXSID3022455 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=C(C=CC=C1)C(=O)OC Dimethyl phthalate 131-11-3|Dimethyl phthalate|1,2-Benzenecarboxylic acid, dimethyl ester|1,2-Benzenedicarboxylic acid dimethyl ester|1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester|1,2-Benzenedicarboxylic acid, dimethyl ester|Caswell No. 380|Dimethyl 1,2-benzenedicarboxylate|Dimethyl benzene-o-dicarboxylate|Dimethyl benzeneorthodicarboxylate|Dimethyl o-phthalate|Dimethyl pthalate|Dimethylester kyseliny ftalove|Dimethylphthalat|EINECS 205-011-6|EPA Pesticide Chemical Code 028002|Fermine|ftalato de dimetilo|NSC 15398|Palatinol M|Phtalate de dimethyle|PHTHALATE, DIMETHYL|Phthalic acid dimethyl ester|Phthalic acid, dimethyl ester|PHTHALSAEURE-DIMETHYLESTER|Phthalsaeuredimethylester|RCRA waste number U102|Repeftal|Solvanom|Solvarone|UNII-08X7F5UDJM|Unimoll DM|1352054-35-3|64441-70-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022455 https://doi.org/10.22427/NTP-DATA-DTXSID3022455
ERPathway2016 ERPathway2016_1270 Dimethyl phthalate 131-11-3 DTXSID3022455 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=C(C=CC=C1)C(=O)OC Dimethyl phthalate 131-11-3|Dimethyl phthalate|1,2-Benzenecarboxylic acid, dimethyl ester|1,2-Benzenedicarboxylic acid dimethyl ester|1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester|1,2-Benzenedicarboxylic acid, dimethyl ester|Caswell No. 380|Dimethyl 1,2-benzenedicarboxylate|Dimethyl benzene-o-dicarboxylate|Dimethyl benzeneorthodicarboxylate|Dimethyl o-phthalate|Dimethyl pthalate|Dimethylester kyseliny ftalove|Dimethylphthalat|EINECS 205-011-6|EPA Pesticide Chemical Code 028002|Fermine|ftalato de dimetilo|NSC 15398|Palatinol M|Phtalate de dimethyle|PHTHALATE, DIMETHYL|Phthalic acid dimethyl ester|Phthalic acid, dimethyl ester|PHTHALSAEURE-DIMETHYLESTER|Phthalsaeuredimethylester|RCRA waste number U102|Repeftal|Solvanom|Solvarone|UNII-08X7F5UDJM|Unimoll DM|1352054-35-3|64441-70-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022455 https://doi.org/10.22427/NTP-DATA-DTXSID3022455
ARPathway2016 ARPathway2016_479 Dimethyl succinate 106-65-0 DTXSID5025152 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)CCC(=O)OC Dimethyl succinate 106-65-0|Dimethyl succinate|BERNSTEINSAEURE-DIMETHYLESTER|Butanedioic acid dimethyl ester|Butanedioic acid, 1,4-dimethyl ester|Butanedioic acid, dimethyl ester|BUTANEDIOIC ACID,DIMETHYL ESTER|DBE 4|Dimethyl 1,4-butanedioate|Dimethyl butanedioate|Dimethylsuccinat|Dimethylsuccinate|EINECS 203-419-9|FEMA No. 2396|Methyl butanedioate|Methyl succinate|NSC 52209|Provichem 2511|Proviron 2511ECO|Rhodiasolv RDEP|Succinate de dimethyle|SUCCINATE, DIMETHYL|succinato de dimetilo|Succinic acid, dimethyl ester|UNII-914I2127JR https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025152 https://doi.org/10.22427/NTP-DATA-DTXSID5025152
ARPathway2016 ARPathway2016_479 Dimethyl succinate 106-65-0 DTXSID5025152 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)CCC(=O)OC Dimethyl succinate 106-65-0|Dimethyl succinate|BERNSTEINSAEURE-DIMETHYLESTER|Butanedioic acid dimethyl ester|Butanedioic acid, 1,4-dimethyl ester|Butanedioic acid, dimethyl ester|BUTANEDIOIC ACID,DIMETHYL ESTER|DBE 4|Dimethyl 1,4-butanedioate|Dimethyl butanedioate|Dimethylsuccinat|Dimethylsuccinate|EINECS 203-419-9|FEMA No. 2396|Methyl butanedioate|Methyl succinate|NSC 52209|Provichem 2511|Proviron 2511ECO|Rhodiasolv RDEP|Succinate de dimethyle|SUCCINATE, DIMETHYL|succinato de dimetilo|Succinic acid, dimethyl ester|UNII-914I2127JR https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025152 https://doi.org/10.22427/NTP-DATA-DTXSID5025152
ARPathway2016 ARPathway2016_479 Dimethyl succinate 106-65-0 DTXSID5025152 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)CCC(=O)OC Dimethyl succinate 106-65-0|Dimethyl succinate|BERNSTEINSAEURE-DIMETHYLESTER|Butanedioic acid dimethyl ester|Butanedioic acid, 1,4-dimethyl ester|Butanedioic acid, dimethyl ester|BUTANEDIOIC ACID,DIMETHYL ESTER|DBE 4|Dimethyl 1,4-butanedioate|Dimethyl butanedioate|Dimethylsuccinat|Dimethylsuccinate|EINECS 203-419-9|FEMA No. 2396|Methyl butanedioate|Methyl succinate|NSC 52209|Provichem 2511|Proviron 2511ECO|Rhodiasolv RDEP|Succinate de dimethyle|SUCCINATE, DIMETHYL|succinato de dimetilo|Succinic acid, dimethyl ester|UNII-914I2127JR https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025152 https://doi.org/10.22427/NTP-DATA-DTXSID5025152
ARPathway2016 ARPathway2016_479 Dimethyl succinate 106-65-0 DTXSID5025152 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)CCC(=O)OC Dimethyl succinate 106-65-0|Dimethyl succinate|BERNSTEINSAEURE-DIMETHYLESTER|Butanedioic acid dimethyl ester|Butanedioic acid, 1,4-dimethyl ester|Butanedioic acid, dimethyl ester|BUTANEDIOIC ACID,DIMETHYL ESTER|DBE 4|Dimethyl 1,4-butanedioate|Dimethyl butanedioate|Dimethylsuccinat|Dimethylsuccinate|EINECS 203-419-9|FEMA No. 2396|Methyl butanedioate|Methyl succinate|NSC 52209|Provichem 2511|Proviron 2511ECO|Rhodiasolv RDEP|Succinate de dimethyle|SUCCINATE, DIMETHYL|succinato de dimetilo|Succinic acid, dimethyl ester|UNII-914I2127JR https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025152 https://doi.org/10.22427/NTP-DATA-DTXSID5025152
ERPathway2016 ERPathway2016_1090 Dimethyl succinate 106-65-0 DTXSID5025152 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)CCC(=O)OC Dimethyl succinate 106-65-0|Dimethyl succinate|BERNSTEINSAEURE-DIMETHYLESTER|Butanedioic acid dimethyl ester|Butanedioic acid, 1,4-dimethyl ester|Butanedioic acid, dimethyl ester|BUTANEDIOIC ACID,DIMETHYL ESTER|DBE 4|Dimethyl 1,4-butanedioate|Dimethyl butanedioate|Dimethylsuccinat|Dimethylsuccinate|EINECS 203-419-9|FEMA No. 2396|Methyl butanedioate|Methyl succinate|NSC 52209|Provichem 2511|Proviron 2511ECO|Rhodiasolv RDEP|Succinate de dimethyle|SUCCINATE, DIMETHYL|succinato de dimetilo|Succinic acid, dimethyl ester|UNII-914I2127JR https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025152 https://doi.org/10.22427/NTP-DATA-DTXSID5025152
ERPathway2016 ERPathway2016_1090 Dimethyl succinate 106-65-0 DTXSID5025152 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)CCC(=O)OC Dimethyl succinate 106-65-0|Dimethyl succinate|BERNSTEINSAEURE-DIMETHYLESTER|Butanedioic acid dimethyl ester|Butanedioic acid, 1,4-dimethyl ester|Butanedioic acid, dimethyl ester|BUTANEDIOIC ACID,DIMETHYL ESTER|DBE 4|Dimethyl 1,4-butanedioate|Dimethyl butanedioate|Dimethylsuccinat|Dimethylsuccinate|EINECS 203-419-9|FEMA No. 2396|Methyl butanedioate|Methyl succinate|NSC 52209|Provichem 2511|Proviron 2511ECO|Rhodiasolv RDEP|Succinate de dimethyle|SUCCINATE, DIMETHYL|succinato de dimetilo|Succinic acid, dimethyl ester|UNII-914I2127JR https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025152 https://doi.org/10.22427/NTP-DATA-DTXSID5025152
ERPathway2016 ERPathway2016_1090 Dimethyl succinate 106-65-0 DTXSID5025152 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)CCC(=O)OC Dimethyl succinate 106-65-0|Dimethyl succinate|BERNSTEINSAEURE-DIMETHYLESTER|Butanedioic acid dimethyl ester|Butanedioic acid, 1,4-dimethyl ester|Butanedioic acid, dimethyl ester|BUTANEDIOIC ACID,DIMETHYL ESTER|DBE 4|Dimethyl 1,4-butanedioate|Dimethyl butanedioate|Dimethylsuccinat|Dimethylsuccinate|EINECS 203-419-9|FEMA No. 2396|Methyl butanedioate|Methyl succinate|NSC 52209|Provichem 2511|Proviron 2511ECO|Rhodiasolv RDEP|Succinate de dimethyle|SUCCINATE, DIMETHYL|succinato de dimetilo|Succinic acid, dimethyl ester|UNII-914I2127JR https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025152 https://doi.org/10.22427/NTP-DATA-DTXSID5025152
ERPathway2016 ERPathway2016_1090 Dimethyl succinate 106-65-0 DTXSID5025152 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)CCC(=O)OC Dimethyl succinate 106-65-0|Dimethyl succinate|BERNSTEINSAEURE-DIMETHYLESTER|Butanedioic acid dimethyl ester|Butanedioic acid, 1,4-dimethyl ester|Butanedioic acid, dimethyl ester|BUTANEDIOIC ACID,DIMETHYL ESTER|DBE 4|Dimethyl 1,4-butanedioate|Dimethyl butanedioate|Dimethylsuccinat|Dimethylsuccinate|EINECS 203-419-9|FEMA No. 2396|Methyl butanedioate|Methyl succinate|NSC 52209|Provichem 2511|Proviron 2511ECO|Rhodiasolv RDEP|Succinate de dimethyle|SUCCINATE, DIMETHYL|succinato de dimetilo|Succinic acid, dimethyl ester|UNII-914I2127JR https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025152 https://doi.org/10.22427/NTP-DATA-DTXSID5025152
ARPathway2016 ARPathway2016_1558 Dimethyl sulfate 77-78-1 DTXSID5024055 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless COS(=O)(=O)OC Dimethyl sulfate 77-78-1|Dimethyl sulfate|BRN 0635994|Dimethoxysulfone|Dimethyl monosulfate|dimethyl sulphate|Dimethylester kyseliny sirove|Dimethylsulfaat|Dimethylsulfat|DIMETHYLSULFATE|Dimetilsolfato|Dwumetylowy siarczan|EINECS 201-058-1|NSC 56194|RCRA waste number U103|Sulfate de dimethyle|Sulfate dimethylique|sulfato de dimetilo|Sulfuric acid dimethyl ester|SULFURIC ACID DIMETHYLESTER|Sulfuric acid, dimethyl ester|UN 1595|UNII-JW5CW40Z50|139443-72-4|62086-97-9|98478-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024055
ARPathway2016 ARPathway2016_1558 Dimethyl sulfate 77-78-1 DTXSID5024055 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless COS(=O)(=O)OC Dimethyl sulfate 77-78-1|Dimethyl sulfate|BRN 0635994|Dimethoxysulfone|Dimethyl monosulfate|dimethyl sulphate|Dimethylester kyseliny sirove|Dimethylsulfaat|Dimethylsulfat|DIMETHYLSULFATE|Dimetilsolfato|Dwumetylowy siarczan|EINECS 201-058-1|NSC 56194|RCRA waste number U103|Sulfate de dimethyle|Sulfate dimethylique|sulfato de dimetilo|Sulfuric acid dimethyl ester|SULFURIC ACID DIMETHYLESTER|Sulfuric acid, dimethyl ester|UN 1595|UNII-JW5CW40Z50|139443-72-4|62086-97-9|98478-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024055
ARPathway2016 ARPathway2016_1558 Dimethyl sulfate 77-78-1 DTXSID5024055 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless COS(=O)(=O)OC Dimethyl sulfate 77-78-1|Dimethyl sulfate|BRN 0635994|Dimethoxysulfone|Dimethyl monosulfate|dimethyl sulphate|Dimethylester kyseliny sirove|Dimethylsulfaat|Dimethylsulfat|DIMETHYLSULFATE|Dimetilsolfato|Dwumetylowy siarczan|EINECS 201-058-1|NSC 56194|RCRA waste number U103|Sulfate de dimethyle|Sulfate dimethylique|sulfato de dimetilo|Sulfuric acid dimethyl ester|SULFURIC ACID DIMETHYLESTER|Sulfuric acid, dimethyl ester|UN 1595|UNII-JW5CW40Z50|139443-72-4|62086-97-9|98478-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024055
ARPathway2016 ARPathway2016_1558 Dimethyl sulfate 77-78-1 DTXSID5024055 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless COS(=O)(=O)OC Dimethyl sulfate 77-78-1|Dimethyl sulfate|BRN 0635994|Dimethoxysulfone|Dimethyl monosulfate|dimethyl sulphate|Dimethylester kyseliny sirove|Dimethylsulfaat|Dimethylsulfat|DIMETHYLSULFATE|Dimetilsolfato|Dwumetylowy siarczan|EINECS 201-058-1|NSC 56194|RCRA waste number U103|Sulfate de dimethyle|Sulfate dimethylique|sulfato de dimetilo|Sulfuric acid dimethyl ester|SULFURIC ACID DIMETHYLESTER|Sulfuric acid, dimethyl ester|UN 1595|UNII-JW5CW40Z50|139443-72-4|62086-97-9|98478-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024055
ERPathway2016 ERPathway2016_1656 Dimethyl sulfate 77-78-1 DTXSID5024055 ER Pathway Model, Agonist Model Score 0 Unitless COS(=O)(=O)OC Dimethyl sulfate 77-78-1|Dimethyl sulfate|BRN 0635994|Dimethoxysulfone|Dimethyl monosulfate|dimethyl sulphate|Dimethylester kyseliny sirove|Dimethylsulfaat|Dimethylsulfat|DIMETHYLSULFATE|Dimetilsolfato|Dwumetylowy siarczan|EINECS 201-058-1|NSC 56194|RCRA waste number U103|Sulfate de dimethyle|Sulfate dimethylique|sulfato de dimetilo|Sulfuric acid dimethyl ester|SULFURIC ACID DIMETHYLESTER|Sulfuric acid, dimethyl ester|UN 1595|UNII-JW5CW40Z50|139443-72-4|62086-97-9|98478-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024055
ERPathway2016 ERPathway2016_1656 Dimethyl sulfate 77-78-1 DTXSID5024055 ER Pathway Model, Antagonist Model Score 0 Unitless COS(=O)(=O)OC Dimethyl sulfate 77-78-1|Dimethyl sulfate|BRN 0635994|Dimethoxysulfone|Dimethyl monosulfate|dimethyl sulphate|Dimethylester kyseliny sirove|Dimethylsulfaat|Dimethylsulfat|DIMETHYLSULFATE|Dimetilsolfato|Dwumetylowy siarczan|EINECS 201-058-1|NSC 56194|RCRA waste number U103|Sulfate de dimethyle|Sulfate dimethylique|sulfato de dimetilo|Sulfuric acid dimethyl ester|SULFURIC ACID DIMETHYLESTER|Sulfuric acid, dimethyl ester|UN 1595|UNII-JW5CW40Z50|139443-72-4|62086-97-9|98478-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024055
ERPathway2016 ERPathway2016_1656 Dimethyl sulfate 77-78-1 DTXSID5024055 ER Pathway Model, Agonist Call Inactive Unitless COS(=O)(=O)OC Dimethyl sulfate 77-78-1|Dimethyl sulfate|BRN 0635994|Dimethoxysulfone|Dimethyl monosulfate|dimethyl sulphate|Dimethylester kyseliny sirove|Dimethylsulfaat|Dimethylsulfat|DIMETHYLSULFATE|Dimetilsolfato|Dwumetylowy siarczan|EINECS 201-058-1|NSC 56194|RCRA waste number U103|Sulfate de dimethyle|Sulfate dimethylique|sulfato de dimetilo|Sulfuric acid dimethyl ester|SULFURIC ACID DIMETHYLESTER|Sulfuric acid, dimethyl ester|UN 1595|UNII-JW5CW40Z50|139443-72-4|62086-97-9|98478-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024055
ERPathway2016 ERPathway2016_1656 Dimethyl sulfate 77-78-1 DTXSID5024055 ER Pathway Model, Antagonist Call Inactive Unitless COS(=O)(=O)OC Dimethyl sulfate 77-78-1|Dimethyl sulfate|BRN 0635994|Dimethoxysulfone|Dimethyl monosulfate|dimethyl sulphate|Dimethylester kyseliny sirove|Dimethylsulfaat|Dimethylsulfat|DIMETHYLSULFATE|Dimetilsolfato|Dwumetylowy siarczan|EINECS 201-058-1|NSC 56194|RCRA waste number U103|Sulfate de dimethyle|Sulfate dimethylique|sulfato de dimetilo|Sulfuric acid dimethyl ester|SULFURIC ACID DIMETHYLESTER|Sulfuric acid, dimethyl ester|UN 1595|UNII-JW5CW40Z50|139443-72-4|62086-97-9|98478-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024055
ARPathway2016 ARPathway2016_1473 Dimethyl sulfoxide 67-68-5 DTXSID2021735 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CS(C)=O Dimethyl sulfoxide 67-68-5|Dimethyl sulfoxide|(CH3)2SO|(methylsulfinyl)methane|Caswell No. 381|Demasorb|Demavet|Demsodrox|Dimethyl sulfoxixde|dimethyl sulfur oxide|Dimethyl Sulphoxide|Dimethyl sulpoxide|Dimethyli sulfoxidum|Dimethylsulfoxid|DIMETHYLSULFOXIDE|Dimethylsulfoxyde|dimetil sulfoxido|Dimetilsolfossido|Dimexide|Dimexidum|Dipirartril-tropico|DMSO|Dolicur|Doligur|Dromisol|Durasorb|EINECS 200-664-3|EPA Pesticide Chemical Code 000177|Infiltrina|Methane, 1,1'-sulfinylbis-|Methane, sulfinylbis-|methanesulfinylmethane|Methyl sulfoxide|Methyl sulphoxide|Methylsulfinylmethane|NSC 763|NSC-763|S(O)Me2|Sclerosol|Somipront|sulfinylbis(methane)|Sulfinylbismethane|SULFOXIDE, DIMETHYL|Syntexan|UNII-YOW8V9698H|164071-41-4|705301-21-9|8070-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021735 https://doi.org/10.22427/NTP-DATA-DTXSID2021735
ARPathway2016 ARPathway2016_1473 Dimethyl sulfoxide 67-68-5 DTXSID2021735 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CS(C)=O Dimethyl sulfoxide 67-68-5|Dimethyl sulfoxide|(CH3)2SO|(methylsulfinyl)methane|Caswell No. 381|Demasorb|Demavet|Demsodrox|Dimethyl sulfoxixde|dimethyl sulfur oxide|Dimethyl Sulphoxide|Dimethyl sulpoxide|Dimethyli sulfoxidum|Dimethylsulfoxid|DIMETHYLSULFOXIDE|Dimethylsulfoxyde|dimetil sulfoxido|Dimetilsolfossido|Dimexide|Dimexidum|Dipirartril-tropico|DMSO|Dolicur|Doligur|Dromisol|Durasorb|EINECS 200-664-3|EPA Pesticide Chemical Code 000177|Infiltrina|Methane, 1,1'-sulfinylbis-|Methane, sulfinylbis-|methanesulfinylmethane|Methyl sulfoxide|Methyl sulphoxide|Methylsulfinylmethane|NSC 763|NSC-763|S(O)Me2|Sclerosol|Somipront|sulfinylbis(methane)|Sulfinylbismethane|SULFOXIDE, DIMETHYL|Syntexan|UNII-YOW8V9698H|164071-41-4|705301-21-9|8070-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021735 https://doi.org/10.22427/NTP-DATA-DTXSID2021735
ARPathway2016 ARPathway2016_1473 Dimethyl sulfoxide 67-68-5 DTXSID2021735 0.0 AR Pathway Model, Agonist Call Inactive Unitless CS(C)=O Dimethyl sulfoxide 67-68-5|Dimethyl sulfoxide|(CH3)2SO|(methylsulfinyl)methane|Caswell No. 381|Demasorb|Demavet|Demsodrox|Dimethyl sulfoxixde|dimethyl sulfur oxide|Dimethyl Sulphoxide|Dimethyl sulpoxide|Dimethyli sulfoxidum|Dimethylsulfoxid|DIMETHYLSULFOXIDE|Dimethylsulfoxyde|dimetil sulfoxido|Dimetilsolfossido|Dimexide|Dimexidum|Dipirartril-tropico|DMSO|Dolicur|Doligur|Dromisol|Durasorb|EINECS 200-664-3|EPA Pesticide Chemical Code 000177|Infiltrina|Methane, 1,1'-sulfinylbis-|Methane, sulfinylbis-|methanesulfinylmethane|Methyl sulfoxide|Methyl sulphoxide|Methylsulfinylmethane|NSC 763|NSC-763|S(O)Me2|Sclerosol|Somipront|sulfinylbis(methane)|Sulfinylbismethane|SULFOXIDE, DIMETHYL|Syntexan|UNII-YOW8V9698H|164071-41-4|705301-21-9|8070-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021735 https://doi.org/10.22427/NTP-DATA-DTXSID2021735
ARPathway2016 ARPathway2016_1473 Dimethyl sulfoxide 67-68-5 DTXSID2021735 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CS(C)=O Dimethyl sulfoxide 67-68-5|Dimethyl sulfoxide|(CH3)2SO|(methylsulfinyl)methane|Caswell No. 381|Demasorb|Demavet|Demsodrox|Dimethyl sulfoxixde|dimethyl sulfur oxide|Dimethyl Sulphoxide|Dimethyl sulpoxide|Dimethyli sulfoxidum|Dimethylsulfoxid|DIMETHYLSULFOXIDE|Dimethylsulfoxyde|dimetil sulfoxido|Dimetilsolfossido|Dimexide|Dimexidum|Dipirartril-tropico|DMSO|Dolicur|Doligur|Dromisol|Durasorb|EINECS 200-664-3|EPA Pesticide Chemical Code 000177|Infiltrina|Methane, 1,1'-sulfinylbis-|Methane, sulfinylbis-|methanesulfinylmethane|Methyl sulfoxide|Methyl sulphoxide|Methylsulfinylmethane|NSC 763|NSC-763|S(O)Me2|Sclerosol|Somipront|sulfinylbis(methane)|Sulfinylbismethane|SULFOXIDE, DIMETHYL|Syntexan|UNII-YOW8V9698H|164071-41-4|705301-21-9|8070-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021735 https://doi.org/10.22427/NTP-DATA-DTXSID2021735
ERPathway2016 ERPathway2016_1606 Dimethyl sulfoxide 67-68-5 DTXSID2021735 ER Pathway Model, Agonist Model Score 0 Unitless CS(C)=O Dimethyl sulfoxide 67-68-5|Dimethyl sulfoxide|(CH3)2SO|(methylsulfinyl)methane|Caswell No. 381|Demasorb|Demavet|Demsodrox|Dimethyl sulfoxixde|dimethyl sulfur oxide|Dimethyl Sulphoxide|Dimethyl sulpoxide|Dimethyli sulfoxidum|Dimethylsulfoxid|DIMETHYLSULFOXIDE|Dimethylsulfoxyde|dimetil sulfoxido|Dimetilsolfossido|Dimexide|Dimexidum|Dipirartril-tropico|DMSO|Dolicur|Doligur|Dromisol|Durasorb|EINECS 200-664-3|EPA Pesticide Chemical Code 000177|Infiltrina|Methane, 1,1'-sulfinylbis-|Methane, sulfinylbis-|methanesulfinylmethane|Methyl sulfoxide|Methyl sulphoxide|Methylsulfinylmethane|NSC 763|NSC-763|S(O)Me2|Sclerosol|Somipront|sulfinylbis(methane)|Sulfinylbismethane|SULFOXIDE, DIMETHYL|Syntexan|UNII-YOW8V9698H|164071-41-4|705301-21-9|8070-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021735 https://doi.org/10.22427/NTP-DATA-DTXSID2021735
ERPathway2016 ERPathway2016_1606 Dimethyl sulfoxide 67-68-5 DTXSID2021735 ER Pathway Model, Antagonist Model Score 0 Unitless CS(C)=O Dimethyl sulfoxide 67-68-5|Dimethyl sulfoxide|(CH3)2SO|(methylsulfinyl)methane|Caswell No. 381|Demasorb|Demavet|Demsodrox|Dimethyl sulfoxixde|dimethyl sulfur oxide|Dimethyl Sulphoxide|Dimethyl sulpoxide|Dimethyli sulfoxidum|Dimethylsulfoxid|DIMETHYLSULFOXIDE|Dimethylsulfoxyde|dimetil sulfoxido|Dimetilsolfossido|Dimexide|Dimexidum|Dipirartril-tropico|DMSO|Dolicur|Doligur|Dromisol|Durasorb|EINECS 200-664-3|EPA Pesticide Chemical Code 000177|Infiltrina|Methane, 1,1'-sulfinylbis-|Methane, sulfinylbis-|methanesulfinylmethane|Methyl sulfoxide|Methyl sulphoxide|Methylsulfinylmethane|NSC 763|NSC-763|S(O)Me2|Sclerosol|Somipront|sulfinylbis(methane)|Sulfinylbismethane|SULFOXIDE, DIMETHYL|Syntexan|UNII-YOW8V9698H|164071-41-4|705301-21-9|8070-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021735 https://doi.org/10.22427/NTP-DATA-DTXSID2021735
ERPathway2016 ERPathway2016_1606 Dimethyl sulfoxide 67-68-5 DTXSID2021735 ER Pathway Model, Agonist Call Inactive Unitless CS(C)=O Dimethyl sulfoxide 67-68-5|Dimethyl sulfoxide|(CH3)2SO|(methylsulfinyl)methane|Caswell No. 381|Demasorb|Demavet|Demsodrox|Dimethyl sulfoxixde|dimethyl sulfur oxide|Dimethyl Sulphoxide|Dimethyl sulpoxide|Dimethyli sulfoxidum|Dimethylsulfoxid|DIMETHYLSULFOXIDE|Dimethylsulfoxyde|dimetil sulfoxido|Dimetilsolfossido|Dimexide|Dimexidum|Dipirartril-tropico|DMSO|Dolicur|Doligur|Dromisol|Durasorb|EINECS 200-664-3|EPA Pesticide Chemical Code 000177|Infiltrina|Methane, 1,1'-sulfinylbis-|Methane, sulfinylbis-|methanesulfinylmethane|Methyl sulfoxide|Methyl sulphoxide|Methylsulfinylmethane|NSC 763|NSC-763|S(O)Me2|Sclerosol|Somipront|sulfinylbis(methane)|Sulfinylbismethane|SULFOXIDE, DIMETHYL|Syntexan|UNII-YOW8V9698H|164071-41-4|705301-21-9|8070-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021735 https://doi.org/10.22427/NTP-DATA-DTXSID2021735
ERPathway2016 ERPathway2016_1606 Dimethyl sulfoxide 67-68-5 DTXSID2021735 ER Pathway Model, Antagonist Call Inactive Unitless CS(C)=O Dimethyl sulfoxide 67-68-5|Dimethyl sulfoxide|(CH3)2SO|(methylsulfinyl)methane|Caswell No. 381|Demasorb|Demavet|Demsodrox|Dimethyl sulfoxixde|dimethyl sulfur oxide|Dimethyl Sulphoxide|Dimethyl sulpoxide|Dimethyli sulfoxidum|Dimethylsulfoxid|DIMETHYLSULFOXIDE|Dimethylsulfoxyde|dimetil sulfoxido|Dimetilsolfossido|Dimexide|Dimexidum|Dipirartril-tropico|DMSO|Dolicur|Doligur|Dromisol|Durasorb|EINECS 200-664-3|EPA Pesticide Chemical Code 000177|Infiltrina|Methane, 1,1'-sulfinylbis-|Methane, sulfinylbis-|methanesulfinylmethane|Methyl sulfoxide|Methyl sulphoxide|Methylsulfinylmethane|NSC 763|NSC-763|S(O)Me2|Sclerosol|Somipront|sulfinylbis(methane)|Sulfinylbismethane|SULFOXIDE, DIMETHYL|Syntexan|UNII-YOW8V9698H|164071-41-4|705301-21-9|8070-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021735 https://doi.org/10.22427/NTP-DATA-DTXSID2021735
ARPathway2016 ARPathway2016_673 Dimethyl terephthalate 120-61-6 DTXSID0020498 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=CC=C(C=C1)C(=O)OC Dimethyl terephthalate 120-61-6|Dimethyl terephthalate|1,4-Benzenedicarboxylic acid dimethyl ester|1,4-Benzenedicarboxylic acid, 1,4-dimethyl ester|1,4-Benzenedicarboxylic acid, dimethyl ester|Di-Me terephthalate|Dimethyl 1,4-benzenedicarboxylate|Dimethyl p-benzenedicarboxylate|Dimethyl p-phthalate|Dimethylester kyseliny tereftalove|Dimethylterephthalat|DMT|EINECS 204-411-8|Methyl 4-(carbomethoxy)benzoate|Methyl 4-carbomethoxybenzoate|Methyl p-(methoxycarbonyl)benzoate|NCI-C50055|NSC 3503|POLYESTER OF 1,4-BENZENEDICARBOXYLIC ACID, DIMETHYL ESTER|tereftalato de dimetilo|Terephtalate de dimethyle|TEREPHTHALATE, DIMETHYL|Terephthalic acid, dimethyl ester|TEREPHTHALSAEURE-DIMETHYLESTER|UNII-IKZ2470UNV|202644-54-0|63143-14-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020498 https://doi.org/10.22427/NTP-DATA-DTXSID0020498
ARPathway2016 ARPathway2016_673 Dimethyl terephthalate 120-61-6 DTXSID0020498 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=CC=C(C=C1)C(=O)OC Dimethyl terephthalate 120-61-6|Dimethyl terephthalate|1,4-Benzenedicarboxylic acid dimethyl ester|1,4-Benzenedicarboxylic acid, 1,4-dimethyl ester|1,4-Benzenedicarboxylic acid, dimethyl ester|Di-Me terephthalate|Dimethyl 1,4-benzenedicarboxylate|Dimethyl p-benzenedicarboxylate|Dimethyl p-phthalate|Dimethylester kyseliny tereftalove|Dimethylterephthalat|DMT|EINECS 204-411-8|Methyl 4-(carbomethoxy)benzoate|Methyl 4-carbomethoxybenzoate|Methyl p-(methoxycarbonyl)benzoate|NCI-C50055|NSC 3503|POLYESTER OF 1,4-BENZENEDICARBOXYLIC ACID, DIMETHYL ESTER|tereftalato de dimetilo|Terephtalate de dimethyle|TEREPHTHALATE, DIMETHYL|Terephthalic acid, dimethyl ester|TEREPHTHALSAEURE-DIMETHYLESTER|UNII-IKZ2470UNV|202644-54-0|63143-14-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020498 https://doi.org/10.22427/NTP-DATA-DTXSID0020498
ARPathway2016 ARPathway2016_673 Dimethyl terephthalate 120-61-6 DTXSID0020498 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=CC=C(C=C1)C(=O)OC Dimethyl terephthalate 120-61-6|Dimethyl terephthalate|1,4-Benzenedicarboxylic acid dimethyl ester|1,4-Benzenedicarboxylic acid, 1,4-dimethyl ester|1,4-Benzenedicarboxylic acid, dimethyl ester|Di-Me terephthalate|Dimethyl 1,4-benzenedicarboxylate|Dimethyl p-benzenedicarboxylate|Dimethyl p-phthalate|Dimethylester kyseliny tereftalove|Dimethylterephthalat|DMT|EINECS 204-411-8|Methyl 4-(carbomethoxy)benzoate|Methyl 4-carbomethoxybenzoate|Methyl p-(methoxycarbonyl)benzoate|NCI-C50055|NSC 3503|POLYESTER OF 1,4-BENZENEDICARBOXYLIC ACID, DIMETHYL ESTER|tereftalato de dimetilo|Terephtalate de dimethyle|TEREPHTHALATE, DIMETHYL|Terephthalic acid, dimethyl ester|TEREPHTHALSAEURE-DIMETHYLESTER|UNII-IKZ2470UNV|202644-54-0|63143-14-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020498 https://doi.org/10.22427/NTP-DATA-DTXSID0020498
ARPathway2016 ARPathway2016_673 Dimethyl terephthalate 120-61-6 DTXSID0020498 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=CC=C(C=C1)C(=O)OC Dimethyl terephthalate 120-61-6|Dimethyl terephthalate|1,4-Benzenedicarboxylic acid dimethyl ester|1,4-Benzenedicarboxylic acid, 1,4-dimethyl ester|1,4-Benzenedicarboxylic acid, dimethyl ester|Di-Me terephthalate|Dimethyl 1,4-benzenedicarboxylate|Dimethyl p-benzenedicarboxylate|Dimethyl p-phthalate|Dimethylester kyseliny tereftalove|Dimethylterephthalat|DMT|EINECS 204-411-8|Methyl 4-(carbomethoxy)benzoate|Methyl 4-carbomethoxybenzoate|Methyl p-(methoxycarbonyl)benzoate|NCI-C50055|NSC 3503|POLYESTER OF 1,4-BENZENEDICARBOXYLIC ACID, DIMETHYL ESTER|tereftalato de dimetilo|Terephtalate de dimethyle|TEREPHTHALATE, DIMETHYL|Terephthalic acid, dimethyl ester|TEREPHTHALSAEURE-DIMETHYLESTER|UNII-IKZ2470UNV|202644-54-0|63143-14-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020498 https://doi.org/10.22427/NTP-DATA-DTXSID0020498
ERPathway2016 ERPathway2016_1210 Dimethyl terephthalate 120-61-6 DTXSID0020498 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=CC=C(C=C1)C(=O)OC Dimethyl terephthalate 120-61-6|Dimethyl terephthalate|1,4-Benzenedicarboxylic acid dimethyl ester|1,4-Benzenedicarboxylic acid, 1,4-dimethyl ester|1,4-Benzenedicarboxylic acid, dimethyl ester|Di-Me terephthalate|Dimethyl 1,4-benzenedicarboxylate|Dimethyl p-benzenedicarboxylate|Dimethyl p-phthalate|Dimethylester kyseliny tereftalove|Dimethylterephthalat|DMT|EINECS 204-411-8|Methyl 4-(carbomethoxy)benzoate|Methyl 4-carbomethoxybenzoate|Methyl p-(methoxycarbonyl)benzoate|NCI-C50055|NSC 3503|POLYESTER OF 1,4-BENZENEDICARBOXYLIC ACID, DIMETHYL ESTER|tereftalato de dimetilo|Terephtalate de dimethyle|TEREPHTHALATE, DIMETHYL|Terephthalic acid, dimethyl ester|TEREPHTHALSAEURE-DIMETHYLESTER|UNII-IKZ2470UNV|202644-54-0|63143-14-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020498 https://doi.org/10.22427/NTP-DATA-DTXSID0020498
ERPathway2016 ERPathway2016_1210 Dimethyl terephthalate 120-61-6 DTXSID0020498 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=CC=C(C=C1)C(=O)OC Dimethyl terephthalate 120-61-6|Dimethyl terephthalate|1,4-Benzenedicarboxylic acid dimethyl ester|1,4-Benzenedicarboxylic acid, 1,4-dimethyl ester|1,4-Benzenedicarboxylic acid, dimethyl ester|Di-Me terephthalate|Dimethyl 1,4-benzenedicarboxylate|Dimethyl p-benzenedicarboxylate|Dimethyl p-phthalate|Dimethylester kyseliny tereftalove|Dimethylterephthalat|DMT|EINECS 204-411-8|Methyl 4-(carbomethoxy)benzoate|Methyl 4-carbomethoxybenzoate|Methyl p-(methoxycarbonyl)benzoate|NCI-C50055|NSC 3503|POLYESTER OF 1,4-BENZENEDICARBOXYLIC ACID, DIMETHYL ESTER|tereftalato de dimetilo|Terephtalate de dimethyle|TEREPHTHALATE, DIMETHYL|Terephthalic acid, dimethyl ester|TEREPHTHALSAEURE-DIMETHYLESTER|UNII-IKZ2470UNV|202644-54-0|63143-14-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020498 https://doi.org/10.22427/NTP-DATA-DTXSID0020498
ERPathway2016 ERPathway2016_1210 Dimethyl terephthalate 120-61-6 DTXSID0020498 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=CC=C(C=C1)C(=O)OC Dimethyl terephthalate 120-61-6|Dimethyl terephthalate|1,4-Benzenedicarboxylic acid dimethyl ester|1,4-Benzenedicarboxylic acid, 1,4-dimethyl ester|1,4-Benzenedicarboxylic acid, dimethyl ester|Di-Me terephthalate|Dimethyl 1,4-benzenedicarboxylate|Dimethyl p-benzenedicarboxylate|Dimethyl p-phthalate|Dimethylester kyseliny tereftalove|Dimethylterephthalat|DMT|EINECS 204-411-8|Methyl 4-(carbomethoxy)benzoate|Methyl 4-carbomethoxybenzoate|Methyl p-(methoxycarbonyl)benzoate|NCI-C50055|NSC 3503|POLYESTER OF 1,4-BENZENEDICARBOXYLIC ACID, DIMETHYL ESTER|tereftalato de dimetilo|Terephtalate de dimethyle|TEREPHTHALATE, DIMETHYL|Terephthalic acid, dimethyl ester|TEREPHTHALSAEURE-DIMETHYLESTER|UNII-IKZ2470UNV|202644-54-0|63143-14-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020498 https://doi.org/10.22427/NTP-DATA-DTXSID0020498
ERPathway2016 ERPathway2016_1210 Dimethyl terephthalate 120-61-6 DTXSID0020498 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=CC=C(C=C1)C(=O)OC Dimethyl terephthalate 120-61-6|Dimethyl terephthalate|1,4-Benzenedicarboxylic acid dimethyl ester|1,4-Benzenedicarboxylic acid, 1,4-dimethyl ester|1,4-Benzenedicarboxylic acid, dimethyl ester|Di-Me terephthalate|Dimethyl 1,4-benzenedicarboxylate|Dimethyl p-benzenedicarboxylate|Dimethyl p-phthalate|Dimethylester kyseliny tereftalove|Dimethylterephthalat|DMT|EINECS 204-411-8|Methyl 4-(carbomethoxy)benzoate|Methyl 4-carbomethoxybenzoate|Methyl p-(methoxycarbonyl)benzoate|NCI-C50055|NSC 3503|POLYESTER OF 1,4-BENZENEDICARBOXYLIC ACID, DIMETHYL ESTER|tereftalato de dimetilo|Terephtalate de dimethyle|TEREPHTHALATE, DIMETHYL|Terephthalic acid, dimethyl ester|TEREPHTHALSAEURE-DIMETHYLESTER|UNII-IKZ2470UNV|202644-54-0|63143-14-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020498 https://doi.org/10.22427/NTP-DATA-DTXSID0020498
ARPathway2016 ARPathway2016_737 Dimethylamine 124-40-3 DTXSID5024057 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CNC Dimethylamine 124-40-3|Dimethylamine|Ai3-15638-X|Dimethylamin|Dimethylamine anhydrous|Dimethylamine anhydrous (dot)|EINECS 204-697-4|HNMe2|Me2NH|Methanamine, N-methyl|Methanamine, N-methyl-|Methanamine,N-methyl|N-Methyl methanamine|N-Methylmethanamine|N,N-Dimethylamine|NSC 8650|RCRA waste number U092|UN 1032|UN 1160|UNII-ARQ8157E0Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024057 https://doi.org/10.22427/NTP-DATA-DTXSID5024057
ARPathway2016 ARPathway2016_737 Dimethylamine 124-40-3 DTXSID5024057 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CNC Dimethylamine 124-40-3|Dimethylamine|Ai3-15638-X|Dimethylamin|Dimethylamine anhydrous|Dimethylamine anhydrous (dot)|EINECS 204-697-4|HNMe2|Me2NH|Methanamine, N-methyl|Methanamine, N-methyl-|Methanamine,N-methyl|N-Methyl methanamine|N-Methylmethanamine|N,N-Dimethylamine|NSC 8650|RCRA waste number U092|UN 1032|UN 1160|UNII-ARQ8157E0Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024057 https://doi.org/10.22427/NTP-DATA-DTXSID5024057
ARPathway2016 ARPathway2016_737 Dimethylamine 124-40-3 DTXSID5024057 0.0 AR Pathway Model, Agonist Call Inactive Unitless CNC Dimethylamine 124-40-3|Dimethylamine|Ai3-15638-X|Dimethylamin|Dimethylamine anhydrous|Dimethylamine anhydrous (dot)|EINECS 204-697-4|HNMe2|Me2NH|Methanamine, N-methyl|Methanamine, N-methyl-|Methanamine,N-methyl|N-Methyl methanamine|N-Methylmethanamine|N,N-Dimethylamine|NSC 8650|RCRA waste number U092|UN 1032|UN 1160|UNII-ARQ8157E0Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024057 https://doi.org/10.22427/NTP-DATA-DTXSID5024057
ARPathway2016 ARPathway2016_737 Dimethylamine 124-40-3 DTXSID5024057 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CNC Dimethylamine 124-40-3|Dimethylamine|Ai3-15638-X|Dimethylamin|Dimethylamine anhydrous|Dimethylamine anhydrous (dot)|EINECS 204-697-4|HNMe2|Me2NH|Methanamine, N-methyl|Methanamine, N-methyl-|Methanamine,N-methyl|N-Methyl methanamine|N-Methylmethanamine|N,N-Dimethylamine|NSC 8650|RCRA waste number U092|UN 1032|UN 1160|UNII-ARQ8157E0Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024057 https://doi.org/10.22427/NTP-DATA-DTXSID5024057
ERPathway2016 ERPathway2016_1248 Dimethylamine 124-40-3 DTXSID5024057 ER Pathway Model, Agonist Model Score 0 Unitless CNC Dimethylamine 124-40-3|Dimethylamine|Ai3-15638-X|Dimethylamin|Dimethylamine anhydrous|Dimethylamine anhydrous (dot)|EINECS 204-697-4|HNMe2|Me2NH|Methanamine, N-methyl|Methanamine, N-methyl-|Methanamine,N-methyl|N-Methyl methanamine|N-Methylmethanamine|N,N-Dimethylamine|NSC 8650|RCRA waste number U092|UN 1032|UN 1160|UNII-ARQ8157E0Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024057 https://doi.org/10.22427/NTP-DATA-DTXSID5024057
ERPathway2016 ERPathway2016_1248 Dimethylamine 124-40-3 DTXSID5024057 ER Pathway Model, Antagonist Model Score 0 Unitless CNC Dimethylamine 124-40-3|Dimethylamine|Ai3-15638-X|Dimethylamin|Dimethylamine anhydrous|Dimethylamine anhydrous (dot)|EINECS 204-697-4|HNMe2|Me2NH|Methanamine, N-methyl|Methanamine, N-methyl-|Methanamine,N-methyl|N-Methyl methanamine|N-Methylmethanamine|N,N-Dimethylamine|NSC 8650|RCRA waste number U092|UN 1032|UN 1160|UNII-ARQ8157E0Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024057 https://doi.org/10.22427/NTP-DATA-DTXSID5024057
ERPathway2016 ERPathway2016_1248 Dimethylamine 124-40-3 DTXSID5024057 ER Pathway Model, Agonist Call Inactive Unitless CNC Dimethylamine 124-40-3|Dimethylamine|Ai3-15638-X|Dimethylamin|Dimethylamine anhydrous|Dimethylamine anhydrous (dot)|EINECS 204-697-4|HNMe2|Me2NH|Methanamine, N-methyl|Methanamine, N-methyl-|Methanamine,N-methyl|N-Methyl methanamine|N-Methylmethanamine|N,N-Dimethylamine|NSC 8650|RCRA waste number U092|UN 1032|UN 1160|UNII-ARQ8157E0Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024057 https://doi.org/10.22427/NTP-DATA-DTXSID5024057
ERPathway2016 ERPathway2016_1248 Dimethylamine 124-40-3 DTXSID5024057 ER Pathway Model, Antagonist Call Inactive Unitless CNC Dimethylamine 124-40-3|Dimethylamine|Ai3-15638-X|Dimethylamin|Dimethylamine anhydrous|Dimethylamine anhydrous (dot)|EINECS 204-697-4|HNMe2|Me2NH|Methanamine, N-methyl|Methanamine, N-methyl-|Methanamine,N-methyl|N-Methyl methanamine|N-Methylmethanamine|N,N-Dimethylamine|NSC 8650|RCRA waste number U092|UN 1032|UN 1160|UNII-ARQ8157E0Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024057 https://doi.org/10.22427/NTP-DATA-DTXSID5024057
ARPathway2016 ARPathway2016_503 Dimethylaminoethanol 108-01-0 DTXSID2020505 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)CCO Dimethylaminoethanol 108-01-0|Dimethylaminoethanol|(2-Hydroxyethyl)dimethylamine|(Dimethylamino)ethanol|(N,N-Dimethylamino)ethanol|2-(Dimethylamino)-1-ethanol|2-(Dimethylamino)ethanol|2-(Dimethylamino)ethyl alcohol|2-(N,N-Dimethylamino)ethanol|2-Dimethylaminoethanol|2-Dimethylaminoethanol (Deanol) (Dimethylaminoethanol) (Ethanol, 2-(dimethylamino)-)|2-dimetilaminoetanol|2-Dwumetyloaminoetanolu|Amietol M 21|Aminoalcohol 2mabs|beta-Dimethylaminoethyl alcohol|beta-Hydroxyethyldimethylamine|Bimanol|BRN 1209235|Dabco DMEA|Deanol|Dimethol|Dimethyl(2-hydroxyethyl)amine|Dimethyl(hydroxyethyl)amine|Dimethylaethanolamin|Dimethylaminoaethanol|Dimethylaminoethanol, 2-|DIMETHYLETHANOLAMINE|Dimethylmonoethanolamine|DMAE|DMEA|EINECS 203-542-8|Ethanol, 2-(dimethylamino)-|ETHANOLAMINE, N,N-DIMETHYL-|Jeffcat DMEA|Kalpur P|Lupragen N 101|N-(2-Hydroxyethyl)-N,N-dimethylamine|N-(2-Hydroxyethyl)dimethylamine|N-Dimethylaminoethanol|N,N-Dimethyl-2-aminoethanol|N,N-Dimethyl-2-hydroxyethylamine|N,N-Dimethyl-N-(2-hydroxyethyl)amine|N,N-Dimethyl-N-(beta-hydroxyethyl)amine|N,N-Dimethyl-N|116134-09-9|156681-25-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020505
ARPathway2016 ARPathway2016_503 Dimethylaminoethanol 108-01-0 DTXSID2020505 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)CCO Dimethylaminoethanol 108-01-0|Dimethylaminoethanol|(2-Hydroxyethyl)dimethylamine|(Dimethylamino)ethanol|(N,N-Dimethylamino)ethanol|2-(Dimethylamino)-1-ethanol|2-(Dimethylamino)ethanol|2-(Dimethylamino)ethyl alcohol|2-(N,N-Dimethylamino)ethanol|2-Dimethylaminoethanol|2-Dimethylaminoethanol (Deanol) (Dimethylaminoethanol) (Ethanol, 2-(dimethylamino)-)|2-dimetilaminoetanol|2-Dwumetyloaminoetanolu|Amietol M 21|Aminoalcohol 2mabs|beta-Dimethylaminoethyl alcohol|beta-Hydroxyethyldimethylamine|Bimanol|BRN 1209235|Dabco DMEA|Deanol|Dimethol|Dimethyl(2-hydroxyethyl)amine|Dimethyl(hydroxyethyl)amine|Dimethylaethanolamin|Dimethylaminoaethanol|Dimethylaminoethanol, 2-|DIMETHYLETHANOLAMINE|Dimethylmonoethanolamine|DMAE|DMEA|EINECS 203-542-8|Ethanol, 2-(dimethylamino)-|ETHANOLAMINE, N,N-DIMETHYL-|Jeffcat DMEA|Kalpur P|Lupragen N 101|N-(2-Hydroxyethyl)-N,N-dimethylamine|N-(2-Hydroxyethyl)dimethylamine|N-Dimethylaminoethanol|N,N-Dimethyl-2-aminoethanol|N,N-Dimethyl-2-hydroxyethylamine|N,N-Dimethyl-N-(2-hydroxyethyl)amine|N,N-Dimethyl-N-(beta-hydroxyethyl)amine|N,N-Dimethyl-N|116134-09-9|156681-25-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020505
ARPathway2016 ARPathway2016_503 Dimethylaminoethanol 108-01-0 DTXSID2020505 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CN(C)CCO Dimethylaminoethanol 108-01-0|Dimethylaminoethanol|(2-Hydroxyethyl)dimethylamine|(Dimethylamino)ethanol|(N,N-Dimethylamino)ethanol|2-(Dimethylamino)-1-ethanol|2-(Dimethylamino)ethanol|2-(Dimethylamino)ethyl alcohol|2-(N,N-Dimethylamino)ethanol|2-Dimethylaminoethanol|2-Dimethylaminoethanol (Deanol) (Dimethylaminoethanol) (Ethanol, 2-(dimethylamino)-)|2-dimetilaminoetanol|2-Dwumetyloaminoetanolu|Amietol M 21|Aminoalcohol 2mabs|beta-Dimethylaminoethyl alcohol|beta-Hydroxyethyldimethylamine|Bimanol|BRN 1209235|Dabco DMEA|Deanol|Dimethol|Dimethyl(2-hydroxyethyl)amine|Dimethyl(hydroxyethyl)amine|Dimethylaethanolamin|Dimethylaminoaethanol|Dimethylaminoethanol, 2-|DIMETHYLETHANOLAMINE|Dimethylmonoethanolamine|DMAE|DMEA|EINECS 203-542-8|Ethanol, 2-(dimethylamino)-|ETHANOLAMINE, N,N-DIMETHYL-|Jeffcat DMEA|Kalpur P|Lupragen N 101|N-(2-Hydroxyethyl)-N,N-dimethylamine|N-(2-Hydroxyethyl)dimethylamine|N-Dimethylaminoethanol|N,N-Dimethyl-2-aminoethanol|N,N-Dimethyl-2-hydroxyethylamine|N,N-Dimethyl-N-(2-hydroxyethyl)amine|N,N-Dimethyl-N-(beta-hydroxyethyl)amine|N,N-Dimethyl-N|116134-09-9|156681-25-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020505
ARPathway2016 ARPathway2016_503 Dimethylaminoethanol 108-01-0 DTXSID2020505 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)CCO Dimethylaminoethanol 108-01-0|Dimethylaminoethanol|(2-Hydroxyethyl)dimethylamine|(Dimethylamino)ethanol|(N,N-Dimethylamino)ethanol|2-(Dimethylamino)-1-ethanol|2-(Dimethylamino)ethanol|2-(Dimethylamino)ethyl alcohol|2-(N,N-Dimethylamino)ethanol|2-Dimethylaminoethanol|2-Dimethylaminoethanol (Deanol) (Dimethylaminoethanol) (Ethanol, 2-(dimethylamino)-)|2-dimetilaminoetanol|2-Dwumetyloaminoetanolu|Amietol M 21|Aminoalcohol 2mabs|beta-Dimethylaminoethyl alcohol|beta-Hydroxyethyldimethylamine|Bimanol|BRN 1209235|Dabco DMEA|Deanol|Dimethol|Dimethyl(2-hydroxyethyl)amine|Dimethyl(hydroxyethyl)amine|Dimethylaethanolamin|Dimethylaminoaethanol|Dimethylaminoethanol, 2-|DIMETHYLETHANOLAMINE|Dimethylmonoethanolamine|DMAE|DMEA|EINECS 203-542-8|Ethanol, 2-(dimethylamino)-|ETHANOLAMINE, N,N-DIMETHYL-|Jeffcat DMEA|Kalpur P|Lupragen N 101|N-(2-Hydroxyethyl)-N,N-dimethylamine|N-(2-Hydroxyethyl)dimethylamine|N-Dimethylaminoethanol|N,N-Dimethyl-2-aminoethanol|N,N-Dimethyl-2-hydroxyethylamine|N,N-Dimethyl-N-(2-hydroxyethyl)amine|N,N-Dimethyl-N-(beta-hydroxyethyl)amine|N,N-Dimethyl-N|116134-09-9|156681-25-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020505
ERPathway2016 ERPathway2016_1106 Dimethylaminoethanol 108-01-0 DTXSID2020505 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)CCO Dimethylaminoethanol 108-01-0|Dimethylaminoethanol|(2-Hydroxyethyl)dimethylamine|(Dimethylamino)ethanol|(N,N-Dimethylamino)ethanol|2-(Dimethylamino)-1-ethanol|2-(Dimethylamino)ethanol|2-(Dimethylamino)ethyl alcohol|2-(N,N-Dimethylamino)ethanol|2-Dimethylaminoethanol|2-Dimethylaminoethanol (Deanol) (Dimethylaminoethanol) (Ethanol, 2-(dimethylamino)-)|2-dimetilaminoetanol|2-Dwumetyloaminoetanolu|Amietol M 21|Aminoalcohol 2mabs|beta-Dimethylaminoethyl alcohol|beta-Hydroxyethyldimethylamine|Bimanol|BRN 1209235|Dabco DMEA|Deanol|Dimethol|Dimethyl(2-hydroxyethyl)amine|Dimethyl(hydroxyethyl)amine|Dimethylaethanolamin|Dimethylaminoaethanol|Dimethylaminoethanol, 2-|DIMETHYLETHANOLAMINE|Dimethylmonoethanolamine|DMAE|DMEA|EINECS 203-542-8|Ethanol, 2-(dimethylamino)-|ETHANOLAMINE, N,N-DIMETHYL-|Jeffcat DMEA|Kalpur P|Lupragen N 101|N-(2-Hydroxyethyl)-N,N-dimethylamine|N-(2-Hydroxyethyl)dimethylamine|N-Dimethylaminoethanol|N,N-Dimethyl-2-aminoethanol|N,N-Dimethyl-2-hydroxyethylamine|N,N-Dimethyl-N-(2-hydroxyethyl)amine|N,N-Dimethyl-N-(beta-hydroxyethyl)amine|N,N-Dimethyl-N|116134-09-9|156681-25-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020505
ERPathway2016 ERPathway2016_1106 Dimethylaminoethanol 108-01-0 DTXSID2020505 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)CCO Dimethylaminoethanol 108-01-0|Dimethylaminoethanol|(2-Hydroxyethyl)dimethylamine|(Dimethylamino)ethanol|(N,N-Dimethylamino)ethanol|2-(Dimethylamino)-1-ethanol|2-(Dimethylamino)ethanol|2-(Dimethylamino)ethyl alcohol|2-(N,N-Dimethylamino)ethanol|2-Dimethylaminoethanol|2-Dimethylaminoethanol (Deanol) (Dimethylaminoethanol) (Ethanol, 2-(dimethylamino)-)|2-dimetilaminoetanol|2-Dwumetyloaminoetanolu|Amietol M 21|Aminoalcohol 2mabs|beta-Dimethylaminoethyl alcohol|beta-Hydroxyethyldimethylamine|Bimanol|BRN 1209235|Dabco DMEA|Deanol|Dimethol|Dimethyl(2-hydroxyethyl)amine|Dimethyl(hydroxyethyl)amine|Dimethylaethanolamin|Dimethylaminoaethanol|Dimethylaminoethanol, 2-|DIMETHYLETHANOLAMINE|Dimethylmonoethanolamine|DMAE|DMEA|EINECS 203-542-8|Ethanol, 2-(dimethylamino)-|ETHANOLAMINE, N,N-DIMETHYL-|Jeffcat DMEA|Kalpur P|Lupragen N 101|N-(2-Hydroxyethyl)-N,N-dimethylamine|N-(2-Hydroxyethyl)dimethylamine|N-Dimethylaminoethanol|N,N-Dimethyl-2-aminoethanol|N,N-Dimethyl-2-hydroxyethylamine|N,N-Dimethyl-N-(2-hydroxyethyl)amine|N,N-Dimethyl-N-(beta-hydroxyethyl)amine|N,N-Dimethyl-N|116134-09-9|156681-25-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020505
ERPathway2016 ERPathway2016_1106 Dimethylaminoethanol 108-01-0 DTXSID2020505 ER Pathway Model, Agonist Call Inactive Unitless CN(C)CCO Dimethylaminoethanol 108-01-0|Dimethylaminoethanol|(2-Hydroxyethyl)dimethylamine|(Dimethylamino)ethanol|(N,N-Dimethylamino)ethanol|2-(Dimethylamino)-1-ethanol|2-(Dimethylamino)ethanol|2-(Dimethylamino)ethyl alcohol|2-(N,N-Dimethylamino)ethanol|2-Dimethylaminoethanol|2-Dimethylaminoethanol (Deanol) (Dimethylaminoethanol) (Ethanol, 2-(dimethylamino)-)|2-dimetilaminoetanol|2-Dwumetyloaminoetanolu|Amietol M 21|Aminoalcohol 2mabs|beta-Dimethylaminoethyl alcohol|beta-Hydroxyethyldimethylamine|Bimanol|BRN 1209235|Dabco DMEA|Deanol|Dimethol|Dimethyl(2-hydroxyethyl)amine|Dimethyl(hydroxyethyl)amine|Dimethylaethanolamin|Dimethylaminoaethanol|Dimethylaminoethanol, 2-|DIMETHYLETHANOLAMINE|Dimethylmonoethanolamine|DMAE|DMEA|EINECS 203-542-8|Ethanol, 2-(dimethylamino)-|ETHANOLAMINE, N,N-DIMETHYL-|Jeffcat DMEA|Kalpur P|Lupragen N 101|N-(2-Hydroxyethyl)-N,N-dimethylamine|N-(2-Hydroxyethyl)dimethylamine|N-Dimethylaminoethanol|N,N-Dimethyl-2-aminoethanol|N,N-Dimethyl-2-hydroxyethylamine|N,N-Dimethyl-N-(2-hydroxyethyl)amine|N,N-Dimethyl-N-(beta-hydroxyethyl)amine|N,N-Dimethyl-N|116134-09-9|156681-25-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020505
ERPathway2016 ERPathway2016_1106 Dimethylaminoethanol 108-01-0 DTXSID2020505 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)CCO Dimethylaminoethanol 108-01-0|Dimethylaminoethanol|(2-Hydroxyethyl)dimethylamine|(Dimethylamino)ethanol|(N,N-Dimethylamino)ethanol|2-(Dimethylamino)-1-ethanol|2-(Dimethylamino)ethanol|2-(Dimethylamino)ethyl alcohol|2-(N,N-Dimethylamino)ethanol|2-Dimethylaminoethanol|2-Dimethylaminoethanol (Deanol) (Dimethylaminoethanol) (Ethanol, 2-(dimethylamino)-)|2-dimetilaminoetanol|2-Dwumetyloaminoetanolu|Amietol M 21|Aminoalcohol 2mabs|beta-Dimethylaminoethyl alcohol|beta-Hydroxyethyldimethylamine|Bimanol|BRN 1209235|Dabco DMEA|Deanol|Dimethol|Dimethyl(2-hydroxyethyl)amine|Dimethyl(hydroxyethyl)amine|Dimethylaethanolamin|Dimethylaminoaethanol|Dimethylaminoethanol, 2-|DIMETHYLETHANOLAMINE|Dimethylmonoethanolamine|DMAE|DMEA|EINECS 203-542-8|Ethanol, 2-(dimethylamino)-|ETHANOLAMINE, N,N-DIMETHYL-|Jeffcat DMEA|Kalpur P|Lupragen N 101|N-(2-Hydroxyethyl)-N,N-dimethylamine|N-(2-Hydroxyethyl)dimethylamine|N-Dimethylaminoethanol|N,N-Dimethyl-2-aminoethanol|N,N-Dimethyl-2-hydroxyethylamine|N,N-Dimethyl-N-(2-hydroxyethyl)amine|N,N-Dimethyl-N-(beta-hydroxyethyl)amine|N,N-Dimethyl-N|116134-09-9|156681-25-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020505
ARPathway2016 ARPathway2016_770 Dimethylaniline 1300-73-8 DTXSID8027377 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C*.C*.NC1=CC=CC=C1 |c:5,7,t:3,lp:4:1,m:1:9.10,3:6.7.8.9| Dimethylaniline 1300-73-8|Dimethylaniline|AI3-24178-X|Aminodimethylbenzene|Benzenamine, ar,ar-dimethyl-|Dimethylaminobenzene|EINECS 215-091-4|UNII-0V872Q19HT|Xilidine|Xylidine isomers|Xylidine mixed ortho-meta-para isomers|Xylidinen https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027377
ARPathway2016 ARPathway2016_770 Dimethylaniline 1300-73-8 DTXSID8027377 0.0 AR Pathway Model, Agonist Call Inactive Unitless C*.C*.NC1=CC=CC=C1 |c:5,7,t:3,lp:4:1,m:1:9.10,3:6.7.8.9| Dimethylaniline 1300-73-8|Dimethylaniline|AI3-24178-X|Aminodimethylbenzene|Benzenamine, ar,ar-dimethyl-|Dimethylaminobenzene|EINECS 215-091-4|UNII-0V872Q19HT|Xilidine|Xylidine isomers|Xylidine mixed ortho-meta-para isomers|Xylidinen https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027377
ARPathway2016 ARPathway2016_770 Dimethylaniline 1300-73-8 DTXSID8027377 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C*.C*.NC1=CC=CC=C1 |c:5,7,t:3,lp:4:1,m:1:9.10,3:6.7.8.9| Dimethylaniline 1300-73-8|Dimethylaniline|AI3-24178-X|Aminodimethylbenzene|Benzenamine, ar,ar-dimethyl-|Dimethylaminobenzene|EINECS 215-091-4|UNII-0V872Q19HT|Xilidine|Xylidine isomers|Xylidine mixed ortho-meta-para isomers|Xylidinen https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027377
ARPathway2016 ARPathway2016_770 Dimethylaniline 1300-73-8 DTXSID8027377 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C*.C*.NC1=CC=CC=C1 |c:5,7,t:3,lp:4:1,m:1:9.10,3:6.7.8.9| Dimethylaniline 1300-73-8|Dimethylaniline|AI3-24178-X|Aminodimethylbenzene|Benzenamine, ar,ar-dimethyl-|Dimethylaminobenzene|EINECS 215-091-4|UNII-0V872Q19HT|Xilidine|Xylidine isomers|Xylidine mixed ortho-meta-para isomers|Xylidinen https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027377
ERPathway2016 ERPathway2016_1017 Dimethylaniline 1300-73-8 DTXSID8027377 ER Pathway Model, Agonist Model Score 0 Unitless C*.C*.NC1=CC=CC=C1 |c:5,7,t:3,lp:4:1,m:1:9.10,3:6.7.8.9| Dimethylaniline 1300-73-8|Dimethylaniline|AI3-24178-X|Aminodimethylbenzene|Benzenamine, ar,ar-dimethyl-|Dimethylaminobenzene|EINECS 215-091-4|UNII-0V872Q19HT|Xilidine|Xylidine isomers|Xylidine mixed ortho-meta-para isomers|Xylidinen https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027377
ERPathway2016 ERPathway2016_1017 Dimethylaniline 1300-73-8 DTXSID8027377 ER Pathway Model, Antagonist Model Score 0 Unitless C*.C*.NC1=CC=CC=C1 |c:5,7,t:3,lp:4:1,m:1:9.10,3:6.7.8.9| Dimethylaniline 1300-73-8|Dimethylaniline|AI3-24178-X|Aminodimethylbenzene|Benzenamine, ar,ar-dimethyl-|Dimethylaminobenzene|EINECS 215-091-4|UNII-0V872Q19HT|Xilidine|Xylidine isomers|Xylidine mixed ortho-meta-para isomers|Xylidinen https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027377
ERPathway2016 ERPathway2016_1017 Dimethylaniline 1300-73-8 DTXSID8027377 ER Pathway Model, Agonist Call Inactive Unitless C*.C*.NC1=CC=CC=C1 |c:5,7,t:3,lp:4:1,m:1:9.10,3:6.7.8.9| Dimethylaniline 1300-73-8|Dimethylaniline|AI3-24178-X|Aminodimethylbenzene|Benzenamine, ar,ar-dimethyl-|Dimethylaminobenzene|EINECS 215-091-4|UNII-0V872Q19HT|Xilidine|Xylidine isomers|Xylidine mixed ortho-meta-para isomers|Xylidinen https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027377
ERPathway2016 ERPathway2016_1017 Dimethylaniline 1300-73-8 DTXSID8027377 ER Pathway Model, Antagonist Call Inactive Unitless C*.C*.NC1=CC=CC=C1 |c:5,7,t:3,lp:4:1,m:1:9.10,3:6.7.8.9| Dimethylaniline 1300-73-8|Dimethylaniline|AI3-24178-X|Aminodimethylbenzene|Benzenamine, ar,ar-dimethyl-|Dimethylaminobenzene|EINECS 215-091-4|UNII-0V872Q19HT|Xilidine|Xylidine isomers|Xylidine mixed ortho-meta-para isomers|Xylidinen https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027377
ARPathway2016 ARPathway2016_1528 Dimethylarsinic acid 75-60-5 DTXSID7020508 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C[As](C)(O)=O Dimethylarsinic acid 75-60-5|Dimethylarsinic acid|4-04-00-03681|Acide cacodylique|Acide dimethylarsenique|Acide dimethylarsinique|acido dimetilarsinico|Agent Blue|Alkargen|Arsine oxide, hydroxydimethyl-|Arsinic acid, As,As-dimethyl-|Arsinic acid, dimethyl-|BRN 1736965|Cacodylate|Cacodylic acid|Caswell No. 133|Chexmate|Cotton aide HC|Dimethylarsenic acid|Dimethylarsinsaure|DMA|EINECS 200-883-4|EPA Pesticide Chemical Code 012501|Hydroxydimethylarsine oxide|KAKODYLSAEURE|Kyselina kakodylova|Moncide|NSC 103115|NSC 71157|NSC 71158|RCRA waste number U136|Silvisar|Silvisar 510|Sylvicor|UN 1572|UNII-AJ2HL7EU8K|11126-73-1|58114-73-1|8073-10-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020508 https://doi.org/10.22427/NTP-DATA-DTXSID7020508
ARPathway2016 ARPathway2016_1528 Dimethylarsinic acid 75-60-5 DTXSID7020508 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C[As](C)(O)=O Dimethylarsinic acid 75-60-5|Dimethylarsinic acid|4-04-00-03681|Acide cacodylique|Acide dimethylarsenique|Acide dimethylarsinique|acido dimetilarsinico|Agent Blue|Alkargen|Arsine oxide, hydroxydimethyl-|Arsinic acid, As,As-dimethyl-|Arsinic acid, dimethyl-|BRN 1736965|Cacodylate|Cacodylic acid|Caswell No. 133|Chexmate|Cotton aide HC|Dimethylarsenic acid|Dimethylarsinsaure|DMA|EINECS 200-883-4|EPA Pesticide Chemical Code 012501|Hydroxydimethylarsine oxide|KAKODYLSAEURE|Kyselina kakodylova|Moncide|NSC 103115|NSC 71157|NSC 71158|RCRA waste number U136|Silvisar|Silvisar 510|Sylvicor|UN 1572|UNII-AJ2HL7EU8K|11126-73-1|58114-73-1|8073-10-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020508 https://doi.org/10.22427/NTP-DATA-DTXSID7020508
ARPathway2016 ARPathway2016_1528 Dimethylarsinic acid 75-60-5 DTXSID7020508 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C[As](C)(O)=O Dimethylarsinic acid 75-60-5|Dimethylarsinic acid|4-04-00-03681|Acide cacodylique|Acide dimethylarsenique|Acide dimethylarsinique|acido dimetilarsinico|Agent Blue|Alkargen|Arsine oxide, hydroxydimethyl-|Arsinic acid, As,As-dimethyl-|Arsinic acid, dimethyl-|BRN 1736965|Cacodylate|Cacodylic acid|Caswell No. 133|Chexmate|Cotton aide HC|Dimethylarsenic acid|Dimethylarsinsaure|DMA|EINECS 200-883-4|EPA Pesticide Chemical Code 012501|Hydroxydimethylarsine oxide|KAKODYLSAEURE|Kyselina kakodylova|Moncide|NSC 103115|NSC 71157|NSC 71158|RCRA waste number U136|Silvisar|Silvisar 510|Sylvicor|UN 1572|UNII-AJ2HL7EU8K|11126-73-1|58114-73-1|8073-10-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020508 https://doi.org/10.22427/NTP-DATA-DTXSID7020508
ARPathway2016 ARPathway2016_1528 Dimethylarsinic acid 75-60-5 DTXSID7020508 0.0 AR Pathway Model, Agonist Call Inactive Unitless C[As](C)(O)=O Dimethylarsinic acid 75-60-5|Dimethylarsinic acid|4-04-00-03681|Acide cacodylique|Acide dimethylarsenique|Acide dimethylarsinique|acido dimetilarsinico|Agent Blue|Alkargen|Arsine oxide, hydroxydimethyl-|Arsinic acid, As,As-dimethyl-|Arsinic acid, dimethyl-|BRN 1736965|Cacodylate|Cacodylic acid|Caswell No. 133|Chexmate|Cotton aide HC|Dimethylarsenic acid|Dimethylarsinsaure|DMA|EINECS 200-883-4|EPA Pesticide Chemical Code 012501|Hydroxydimethylarsine oxide|KAKODYLSAEURE|Kyselina kakodylova|Moncide|NSC 103115|NSC 71157|NSC 71158|RCRA waste number U136|Silvisar|Silvisar 510|Sylvicor|UN 1572|UNII-AJ2HL7EU8K|11126-73-1|58114-73-1|8073-10-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020508 https://doi.org/10.22427/NTP-DATA-DTXSID7020508
ERPathway2016 ERPathway2016_1637 Dimethylarsinic acid 75-60-5 DTXSID7020508 ER Pathway Model, Agonist Model Score 0 Unitless C[As](C)(O)=O Dimethylarsinic acid 75-60-5|Dimethylarsinic acid|4-04-00-03681|Acide cacodylique|Acide dimethylarsenique|Acide dimethylarsinique|acido dimetilarsinico|Agent Blue|Alkargen|Arsine oxide, hydroxydimethyl-|Arsinic acid, As,As-dimethyl-|Arsinic acid, dimethyl-|BRN 1736965|Cacodylate|Cacodylic acid|Caswell No. 133|Chexmate|Cotton aide HC|Dimethylarsenic acid|Dimethylarsinsaure|DMA|EINECS 200-883-4|EPA Pesticide Chemical Code 012501|Hydroxydimethylarsine oxide|KAKODYLSAEURE|Kyselina kakodylova|Moncide|NSC 103115|NSC 71157|NSC 71158|RCRA waste number U136|Silvisar|Silvisar 510|Sylvicor|UN 1572|UNII-AJ2HL7EU8K|11126-73-1|58114-73-1|8073-10-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020508 https://doi.org/10.22427/NTP-DATA-DTXSID7020508
ERPathway2016 ERPathway2016_1637 Dimethylarsinic acid 75-60-5 DTXSID7020508 ER Pathway Model, Antagonist Model Score 0 Unitless C[As](C)(O)=O Dimethylarsinic acid 75-60-5|Dimethylarsinic acid|4-04-00-03681|Acide cacodylique|Acide dimethylarsenique|Acide dimethylarsinique|acido dimetilarsinico|Agent Blue|Alkargen|Arsine oxide, hydroxydimethyl-|Arsinic acid, As,As-dimethyl-|Arsinic acid, dimethyl-|BRN 1736965|Cacodylate|Cacodylic acid|Caswell No. 133|Chexmate|Cotton aide HC|Dimethylarsenic acid|Dimethylarsinsaure|DMA|EINECS 200-883-4|EPA Pesticide Chemical Code 012501|Hydroxydimethylarsine oxide|KAKODYLSAEURE|Kyselina kakodylova|Moncide|NSC 103115|NSC 71157|NSC 71158|RCRA waste number U136|Silvisar|Silvisar 510|Sylvicor|UN 1572|UNII-AJ2HL7EU8K|11126-73-1|58114-73-1|8073-10-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020508 https://doi.org/10.22427/NTP-DATA-DTXSID7020508
ERPathway2016 ERPathway2016_1637 Dimethylarsinic acid 75-60-5 DTXSID7020508 ER Pathway Model, Agonist Call Inactive Unitless C[As](C)(O)=O Dimethylarsinic acid 75-60-5|Dimethylarsinic acid|4-04-00-03681|Acide cacodylique|Acide dimethylarsenique|Acide dimethylarsinique|acido dimetilarsinico|Agent Blue|Alkargen|Arsine oxide, hydroxydimethyl-|Arsinic acid, As,As-dimethyl-|Arsinic acid, dimethyl-|BRN 1736965|Cacodylate|Cacodylic acid|Caswell No. 133|Chexmate|Cotton aide HC|Dimethylarsenic acid|Dimethylarsinsaure|DMA|EINECS 200-883-4|EPA Pesticide Chemical Code 012501|Hydroxydimethylarsine oxide|KAKODYLSAEURE|Kyselina kakodylova|Moncide|NSC 103115|NSC 71157|NSC 71158|RCRA waste number U136|Silvisar|Silvisar 510|Sylvicor|UN 1572|UNII-AJ2HL7EU8K|11126-73-1|58114-73-1|8073-10-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020508 https://doi.org/10.22427/NTP-DATA-DTXSID7020508
ERPathway2016 ERPathway2016_1637 Dimethylarsinic acid 75-60-5 DTXSID7020508 ER Pathway Model, Antagonist Call Inactive Unitless C[As](C)(O)=O Dimethylarsinic acid 75-60-5|Dimethylarsinic acid|4-04-00-03681|Acide cacodylique|Acide dimethylarsenique|Acide dimethylarsinique|acido dimetilarsinico|Agent Blue|Alkargen|Arsine oxide, hydroxydimethyl-|Arsinic acid, As,As-dimethyl-|Arsinic acid, dimethyl-|BRN 1736965|Cacodylate|Cacodylic acid|Caswell No. 133|Chexmate|Cotton aide HC|Dimethylarsenic acid|Dimethylarsinsaure|DMA|EINECS 200-883-4|EPA Pesticide Chemical Code 012501|Hydroxydimethylarsine oxide|KAKODYLSAEURE|Kyselina kakodylova|Moncide|NSC 103115|NSC 71157|NSC 71158|RCRA waste number U136|Silvisar|Silvisar 510|Sylvicor|UN 1572|UNII-AJ2HL7EU8K|11126-73-1|58114-73-1|8073-10-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020508 https://doi.org/10.22427/NTP-DATA-DTXSID7020508
ARPathway2016 ARPathway2016_884 Dimethylbenzylcarbinyl acetate 151-05-3 DTXSID3041877 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OC(C)(C)CC1=CC=CC=C1 Dimethylbenzylcarbinyl acetate 151-05-3|Dimethylbenzylcarbinyl acetate|2-Benzyl-2-propyl acetate|alpha,alpha-Dimethylbenzeneethyl acetate|alpha,alpha-Dimethylphenethyl acetate|alpha,alpha-Dimethylphenethyl alcohol, acetate|Benzeneethanol, .alpha.,.alpha.-dimethyl-, 1-acetate|Benzeneethanol, alpha,alpha-dimethyl-, 1-acetate|Benzyl dimethyl carbinyl acetate|Benzyldimethyl carbinyl acetate|Benzyldimethylcarbinol acetate|Benzyldimethylcarbinyl acetate|BRN 1941670|Dimethylbenzyl carbinol acetate|Dimethylbenzylcarbinol acetate|EINECS 205-781-3|FEMA No. 2392|UNII-6Y9488RL8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041877
ARPathway2016 ARPathway2016_884 Dimethylbenzylcarbinyl acetate 151-05-3 DTXSID3041877 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)OC(C)(C)CC1=CC=CC=C1 Dimethylbenzylcarbinyl acetate 151-05-3|Dimethylbenzylcarbinyl acetate|2-Benzyl-2-propyl acetate|alpha,alpha-Dimethylbenzeneethyl acetate|alpha,alpha-Dimethylphenethyl acetate|alpha,alpha-Dimethylphenethyl alcohol, acetate|Benzeneethanol, .alpha.,.alpha.-dimethyl-, 1-acetate|Benzeneethanol, alpha,alpha-dimethyl-, 1-acetate|Benzyl dimethyl carbinyl acetate|Benzyldimethyl carbinyl acetate|Benzyldimethylcarbinol acetate|Benzyldimethylcarbinyl acetate|BRN 1941670|Dimethylbenzyl carbinol acetate|Dimethylbenzylcarbinol acetate|EINECS 205-781-3|FEMA No. 2392|UNII-6Y9488RL8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041877
ARPathway2016 ARPathway2016_884 Dimethylbenzylcarbinyl acetate 151-05-3 DTXSID3041877 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)OC(C)(C)CC1=CC=CC=C1 Dimethylbenzylcarbinyl acetate 151-05-3|Dimethylbenzylcarbinyl acetate|2-Benzyl-2-propyl acetate|alpha,alpha-Dimethylbenzeneethyl acetate|alpha,alpha-Dimethylphenethyl acetate|alpha,alpha-Dimethylphenethyl alcohol, acetate|Benzeneethanol, .alpha.,.alpha.-dimethyl-, 1-acetate|Benzeneethanol, alpha,alpha-dimethyl-, 1-acetate|Benzyl dimethyl carbinyl acetate|Benzyldimethyl carbinyl acetate|Benzyldimethylcarbinol acetate|Benzyldimethylcarbinyl acetate|BRN 1941670|Dimethylbenzyl carbinol acetate|Dimethylbenzylcarbinol acetate|EINECS 205-781-3|FEMA No. 2392|UNII-6Y9488RL8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041877
ARPathway2016 ARPathway2016_884 Dimethylbenzylcarbinyl acetate 151-05-3 DTXSID3041877 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)OC(C)(C)CC1=CC=CC=C1 Dimethylbenzylcarbinyl acetate 151-05-3|Dimethylbenzylcarbinyl acetate|2-Benzyl-2-propyl acetate|alpha,alpha-Dimethylbenzeneethyl acetate|alpha,alpha-Dimethylphenethyl acetate|alpha,alpha-Dimethylphenethyl alcohol, acetate|Benzeneethanol, .alpha.,.alpha.-dimethyl-, 1-acetate|Benzeneethanol, alpha,alpha-dimethyl-, 1-acetate|Benzyl dimethyl carbinyl acetate|Benzyldimethyl carbinyl acetate|Benzyldimethylcarbinol acetate|Benzyldimethylcarbinyl acetate|BRN 1941670|Dimethylbenzyl carbinol acetate|Dimethylbenzylcarbinol acetate|EINECS 205-781-3|FEMA No. 2392|UNII-6Y9488RL8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041877
ERPathway2016 ERPathway2016_1322 Dimethylbenzylcarbinyl acetate 151-05-3 DTXSID3041877 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)OC(C)(C)CC1=CC=CC=C1 Dimethylbenzylcarbinyl acetate 151-05-3|Dimethylbenzylcarbinyl acetate|2-Benzyl-2-propyl acetate|alpha,alpha-Dimethylbenzeneethyl acetate|alpha,alpha-Dimethylphenethyl acetate|alpha,alpha-Dimethylphenethyl alcohol, acetate|Benzeneethanol, .alpha.,.alpha.-dimethyl-, 1-acetate|Benzeneethanol, alpha,alpha-dimethyl-, 1-acetate|Benzyl dimethyl carbinyl acetate|Benzyldimethyl carbinyl acetate|Benzyldimethylcarbinol acetate|Benzyldimethylcarbinyl acetate|BRN 1941670|Dimethylbenzyl carbinol acetate|Dimethylbenzylcarbinol acetate|EINECS 205-781-3|FEMA No. 2392|UNII-6Y9488RL8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041877
ERPathway2016 ERPathway2016_1322 Dimethylbenzylcarbinyl acetate 151-05-3 DTXSID3041877 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OC(C)(C)CC1=CC=CC=C1 Dimethylbenzylcarbinyl acetate 151-05-3|Dimethylbenzylcarbinyl acetate|2-Benzyl-2-propyl acetate|alpha,alpha-Dimethylbenzeneethyl acetate|alpha,alpha-Dimethylphenethyl acetate|alpha,alpha-Dimethylphenethyl alcohol, acetate|Benzeneethanol, .alpha.,.alpha.-dimethyl-, 1-acetate|Benzeneethanol, alpha,alpha-dimethyl-, 1-acetate|Benzyl dimethyl carbinyl acetate|Benzyldimethyl carbinyl acetate|Benzyldimethylcarbinol acetate|Benzyldimethylcarbinyl acetate|BRN 1941670|Dimethylbenzyl carbinol acetate|Dimethylbenzylcarbinol acetate|EINECS 205-781-3|FEMA No. 2392|UNII-6Y9488RL8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041877
ERPathway2016 ERPathway2016_1322 Dimethylbenzylcarbinyl acetate 151-05-3 DTXSID3041877 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)OC(C)(C)CC1=CC=CC=C1 Dimethylbenzylcarbinyl acetate 151-05-3|Dimethylbenzylcarbinyl acetate|2-Benzyl-2-propyl acetate|alpha,alpha-Dimethylbenzeneethyl acetate|alpha,alpha-Dimethylphenethyl acetate|alpha,alpha-Dimethylphenethyl alcohol, acetate|Benzeneethanol, .alpha.,.alpha.-dimethyl-, 1-acetate|Benzeneethanol, alpha,alpha-dimethyl-, 1-acetate|Benzyl dimethyl carbinyl acetate|Benzyldimethyl carbinyl acetate|Benzyldimethylcarbinol acetate|Benzyldimethylcarbinyl acetate|BRN 1941670|Dimethylbenzyl carbinol acetate|Dimethylbenzylcarbinol acetate|EINECS 205-781-3|FEMA No. 2392|UNII-6Y9488RL8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041877
ERPathway2016 ERPathway2016_1322 Dimethylbenzylcarbinyl acetate 151-05-3 DTXSID3041877 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)OC(C)(C)CC1=CC=CC=C1 Dimethylbenzylcarbinyl acetate 151-05-3|Dimethylbenzylcarbinyl acetate|2-Benzyl-2-propyl acetate|alpha,alpha-Dimethylbenzeneethyl acetate|alpha,alpha-Dimethylphenethyl acetate|alpha,alpha-Dimethylphenethyl alcohol, acetate|Benzeneethanol, .alpha.,.alpha.-dimethyl-, 1-acetate|Benzeneethanol, alpha,alpha-dimethyl-, 1-acetate|Benzyl dimethyl carbinyl acetate|Benzyldimethyl carbinyl acetate|Benzyldimethylcarbinol acetate|Benzyldimethylcarbinyl acetate|BRN 1941670|Dimethylbenzyl carbinol acetate|Dimethylbenzylcarbinol acetate|EINECS 205-781-3|FEMA No. 2392|UNII-6Y9488RL8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041877
ARPathway2016 ARPathway2016_1589 Dimethylcarbamoyl chloride 79-44-7 DTXSID1020512 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(Cl)=O Dimethylcarbamoyl chloride 79-44-7|Dimethylcarbamoyl chloride|(Dimethylamino)carbonyl chloride|(N,N-Dimethylamino)carbonyl chloride|1-Chloro-N,N-dimethylformamide|BRN 0878197|Carbamic chloride, dimethyl-|Carbamic chloride, N,N-dimethyl-|Carbamoyl chloride, dimethyl-|Carbamyl chloride, N,N-dimethyl-|Chlorid kyseliny dimethylkarbaminove|Chloroformic acid dimethylamide|Chlorure de dimethylcarbamoyle|cloruro de dimetilcarbamoilo|Dimethyl carbamoyl chloride|Dimethylamid kyseliny chlormravenci|Dimethylcarbamic acid chloride|Dimethylcarbamic chloride|Dimethylcarbamidoyl chloride|Dimethylcarbamoylchlorid|Dimethylcarbamyl chloride|Dimethylchloroformamide|Dimethylkarbamoylchlorid|EINECS 201-208-6|N,N-Dimethylcarbamic acid chloride|N,N-Dimethylcarbamidoyl chloride|N,N-Dimethylcarbamoyl chloride|N,N-DIMETHYLCARBAMOYLCHLORID|N,N-Dimethylcarbamyl chloride|N,N-Dimethylchloroformamide|NSC 122671|RCRA waste number U097|UN 2262|UNII-5D54S95GT6|342009-25-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020512 https://doi.org/10.22427/NTP-DATA-DTXSID1020512
ARPathway2016 ARPathway2016_1589 Dimethylcarbamoyl chloride 79-44-7 DTXSID1020512 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C(Cl)=O Dimethylcarbamoyl chloride 79-44-7|Dimethylcarbamoyl chloride|(Dimethylamino)carbonyl chloride|(N,N-Dimethylamino)carbonyl chloride|1-Chloro-N,N-dimethylformamide|BRN 0878197|Carbamic chloride, dimethyl-|Carbamic chloride, N,N-dimethyl-|Carbamoyl chloride, dimethyl-|Carbamyl chloride, N,N-dimethyl-|Chlorid kyseliny dimethylkarbaminove|Chloroformic acid dimethylamide|Chlorure de dimethylcarbamoyle|cloruro de dimetilcarbamoilo|Dimethyl carbamoyl chloride|Dimethylamid kyseliny chlormravenci|Dimethylcarbamic acid chloride|Dimethylcarbamic chloride|Dimethylcarbamidoyl chloride|Dimethylcarbamoylchlorid|Dimethylcarbamyl chloride|Dimethylchloroformamide|Dimethylkarbamoylchlorid|EINECS 201-208-6|N,N-Dimethylcarbamic acid chloride|N,N-Dimethylcarbamidoyl chloride|N,N-Dimethylcarbamoyl chloride|N,N-DIMETHYLCARBAMOYLCHLORID|N,N-Dimethylcarbamyl chloride|N,N-Dimethylchloroformamide|NSC 122671|RCRA waste number U097|UN 2262|UNII-5D54S95GT6|342009-25-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020512 https://doi.org/10.22427/NTP-DATA-DTXSID1020512
ARPathway2016 ARPathway2016_1589 Dimethylcarbamoyl chloride 79-44-7 DTXSID1020512 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN(C)C(Cl)=O Dimethylcarbamoyl chloride 79-44-7|Dimethylcarbamoyl chloride|(Dimethylamino)carbonyl chloride|(N,N-Dimethylamino)carbonyl chloride|1-Chloro-N,N-dimethylformamide|BRN 0878197|Carbamic chloride, dimethyl-|Carbamic chloride, N,N-dimethyl-|Carbamoyl chloride, dimethyl-|Carbamyl chloride, N,N-dimethyl-|Chlorid kyseliny dimethylkarbaminove|Chloroformic acid dimethylamide|Chlorure de dimethylcarbamoyle|cloruro de dimetilcarbamoilo|Dimethyl carbamoyl chloride|Dimethylamid kyseliny chlormravenci|Dimethylcarbamic acid chloride|Dimethylcarbamic chloride|Dimethylcarbamidoyl chloride|Dimethylcarbamoylchlorid|Dimethylcarbamyl chloride|Dimethylchloroformamide|Dimethylkarbamoylchlorid|EINECS 201-208-6|N,N-Dimethylcarbamic acid chloride|N,N-Dimethylcarbamidoyl chloride|N,N-Dimethylcarbamoyl chloride|N,N-DIMETHYLCARBAMOYLCHLORID|N,N-Dimethylcarbamyl chloride|N,N-Dimethylchloroformamide|NSC 122671|RCRA waste number U097|UN 2262|UNII-5D54S95GT6|342009-25-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020512 https://doi.org/10.22427/NTP-DATA-DTXSID1020512
ARPathway2016 ARPathway2016_1589 Dimethylcarbamoyl chloride 79-44-7 DTXSID1020512 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C(Cl)=O Dimethylcarbamoyl chloride 79-44-7|Dimethylcarbamoyl chloride|(Dimethylamino)carbonyl chloride|(N,N-Dimethylamino)carbonyl chloride|1-Chloro-N,N-dimethylformamide|BRN 0878197|Carbamic chloride, dimethyl-|Carbamic chloride, N,N-dimethyl-|Carbamoyl chloride, dimethyl-|Carbamyl chloride, N,N-dimethyl-|Chlorid kyseliny dimethylkarbaminove|Chloroformic acid dimethylamide|Chlorure de dimethylcarbamoyle|cloruro de dimetilcarbamoilo|Dimethyl carbamoyl chloride|Dimethylamid kyseliny chlormravenci|Dimethylcarbamic acid chloride|Dimethylcarbamic chloride|Dimethylcarbamidoyl chloride|Dimethylcarbamoylchlorid|Dimethylcarbamyl chloride|Dimethylchloroformamide|Dimethylkarbamoylchlorid|EINECS 201-208-6|N,N-Dimethylcarbamic acid chloride|N,N-Dimethylcarbamidoyl chloride|N,N-Dimethylcarbamoyl chloride|N,N-DIMETHYLCARBAMOYLCHLORID|N,N-Dimethylcarbamyl chloride|N,N-Dimethylchloroformamide|NSC 122671|RCRA waste number U097|UN 2262|UNII-5D54S95GT6|342009-25-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020512 https://doi.org/10.22427/NTP-DATA-DTXSID1020512
ERPathway2016 ERPathway2016_1675 Dimethylcarbamoyl chloride 79-44-7 DTXSID1020512 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)C(Cl)=O Dimethylcarbamoyl chloride 79-44-7|Dimethylcarbamoyl chloride|(Dimethylamino)carbonyl chloride|(N,N-Dimethylamino)carbonyl chloride|1-Chloro-N,N-dimethylformamide|BRN 0878197|Carbamic chloride, dimethyl-|Carbamic chloride, N,N-dimethyl-|Carbamoyl chloride, dimethyl-|Carbamyl chloride, N,N-dimethyl-|Chlorid kyseliny dimethylkarbaminove|Chloroformic acid dimethylamide|Chlorure de dimethylcarbamoyle|cloruro de dimetilcarbamoilo|Dimethyl carbamoyl chloride|Dimethylamid kyseliny chlormravenci|Dimethylcarbamic acid chloride|Dimethylcarbamic chloride|Dimethylcarbamidoyl chloride|Dimethylcarbamoylchlorid|Dimethylcarbamyl chloride|Dimethylchloroformamide|Dimethylkarbamoylchlorid|EINECS 201-208-6|N,N-Dimethylcarbamic acid chloride|N,N-Dimethylcarbamidoyl chloride|N,N-Dimethylcarbamoyl chloride|N,N-DIMETHYLCARBAMOYLCHLORID|N,N-Dimethylcarbamyl chloride|N,N-Dimethylchloroformamide|NSC 122671|RCRA waste number U097|UN 2262|UNII-5D54S95GT6|342009-25-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020512 https://doi.org/10.22427/NTP-DATA-DTXSID1020512
ERPathway2016 ERPathway2016_1675 Dimethylcarbamoyl chloride 79-44-7 DTXSID1020512 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(Cl)=O Dimethylcarbamoyl chloride 79-44-7|Dimethylcarbamoyl chloride|(Dimethylamino)carbonyl chloride|(N,N-Dimethylamino)carbonyl chloride|1-Chloro-N,N-dimethylformamide|BRN 0878197|Carbamic chloride, dimethyl-|Carbamic chloride, N,N-dimethyl-|Carbamoyl chloride, dimethyl-|Carbamyl chloride, N,N-dimethyl-|Chlorid kyseliny dimethylkarbaminove|Chloroformic acid dimethylamide|Chlorure de dimethylcarbamoyle|cloruro de dimetilcarbamoilo|Dimethyl carbamoyl chloride|Dimethylamid kyseliny chlormravenci|Dimethylcarbamic acid chloride|Dimethylcarbamic chloride|Dimethylcarbamidoyl chloride|Dimethylcarbamoylchlorid|Dimethylcarbamyl chloride|Dimethylchloroformamide|Dimethylkarbamoylchlorid|EINECS 201-208-6|N,N-Dimethylcarbamic acid chloride|N,N-Dimethylcarbamidoyl chloride|N,N-Dimethylcarbamoyl chloride|N,N-DIMETHYLCARBAMOYLCHLORID|N,N-Dimethylcarbamyl chloride|N,N-Dimethylchloroformamide|NSC 122671|RCRA waste number U097|UN 2262|UNII-5D54S95GT6|342009-25-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020512 https://doi.org/10.22427/NTP-DATA-DTXSID1020512
ERPathway2016 ERPathway2016_1675 Dimethylcarbamoyl chloride 79-44-7 DTXSID1020512 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C(Cl)=O Dimethylcarbamoyl chloride 79-44-7|Dimethylcarbamoyl chloride|(Dimethylamino)carbonyl chloride|(N,N-Dimethylamino)carbonyl chloride|1-Chloro-N,N-dimethylformamide|BRN 0878197|Carbamic chloride, dimethyl-|Carbamic chloride, N,N-dimethyl-|Carbamoyl chloride, dimethyl-|Carbamyl chloride, N,N-dimethyl-|Chlorid kyseliny dimethylkarbaminove|Chloroformic acid dimethylamide|Chlorure de dimethylcarbamoyle|cloruro de dimetilcarbamoilo|Dimethyl carbamoyl chloride|Dimethylamid kyseliny chlormravenci|Dimethylcarbamic acid chloride|Dimethylcarbamic chloride|Dimethylcarbamidoyl chloride|Dimethylcarbamoylchlorid|Dimethylcarbamyl chloride|Dimethylchloroformamide|Dimethylkarbamoylchlorid|EINECS 201-208-6|N,N-Dimethylcarbamic acid chloride|N,N-Dimethylcarbamidoyl chloride|N,N-Dimethylcarbamoyl chloride|N,N-DIMETHYLCARBAMOYLCHLORID|N,N-Dimethylcarbamyl chloride|N,N-Dimethylchloroformamide|NSC 122671|RCRA waste number U097|UN 2262|UNII-5D54S95GT6|342009-25-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020512 https://doi.org/10.22427/NTP-DATA-DTXSID1020512
ERPathway2016 ERPathway2016_1675 Dimethylcarbamoyl chloride 79-44-7 DTXSID1020512 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)C(Cl)=O Dimethylcarbamoyl chloride 79-44-7|Dimethylcarbamoyl chloride|(Dimethylamino)carbonyl chloride|(N,N-Dimethylamino)carbonyl chloride|1-Chloro-N,N-dimethylformamide|BRN 0878197|Carbamic chloride, dimethyl-|Carbamic chloride, N,N-dimethyl-|Carbamoyl chloride, dimethyl-|Carbamyl chloride, N,N-dimethyl-|Chlorid kyseliny dimethylkarbaminove|Chloroformic acid dimethylamide|Chlorure de dimethylcarbamoyle|cloruro de dimetilcarbamoilo|Dimethyl carbamoyl chloride|Dimethylamid kyseliny chlormravenci|Dimethylcarbamic acid chloride|Dimethylcarbamic chloride|Dimethylcarbamidoyl chloride|Dimethylcarbamoylchlorid|Dimethylcarbamyl chloride|Dimethylchloroformamide|Dimethylkarbamoylchlorid|EINECS 201-208-6|N,N-Dimethylcarbamic acid chloride|N,N-Dimethylcarbamidoyl chloride|N,N-Dimethylcarbamoyl chloride|N,N-DIMETHYLCARBAMOYLCHLORID|N,N-Dimethylcarbamyl chloride|N,N-Dimethylchloroformamide|NSC 122671|RCRA waste number U097|UN 2262|UNII-5D54S95GT6|342009-25-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020512 https://doi.org/10.22427/NTP-DATA-DTXSID1020512
ARPathway2016 ARPathway2016_1103 Dimethylnaphthalene 28804-88-8 DTXSID7025130 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C*.C*.C1=CC2=C(C=C1)C=CC=C2 |c:2,6,9,11,m:1:4.5,3:4.8.9.10.11.12.13| Dimethylnaphthalene 28804-88-8|Dimethylnaphthalene|EINECS 249-241-5|1335-93-9|27457-31-4|65338-04-7|65338-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025130 https://doi.org/10.22427/NTP-DATA-DTXSID7025130
ARPathway2016 ARPathway2016_1103 Dimethylnaphthalene 28804-88-8 DTXSID7025130 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C*.C*.C1=CC2=C(C=C1)C=CC=C2 |c:2,6,9,11,m:1:4.5,3:4.8.9.10.11.12.13| Dimethylnaphthalene 28804-88-8|Dimethylnaphthalene|EINECS 249-241-5|1335-93-9|27457-31-4|65338-04-7|65338-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025130 https://doi.org/10.22427/NTP-DATA-DTXSID7025130
ARPathway2016 ARPathway2016_1103 Dimethylnaphthalene 28804-88-8 DTXSID7025130 0.0 AR Pathway Model, Agonist Call Inactive Unitless C*.C*.C1=CC2=C(C=C1)C=CC=C2 |c:2,6,9,11,m:1:4.5,3:4.8.9.10.11.12.13| Dimethylnaphthalene 28804-88-8|Dimethylnaphthalene|EINECS 249-241-5|1335-93-9|27457-31-4|65338-04-7|65338-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025130 https://doi.org/10.22427/NTP-DATA-DTXSID7025130
ARPathway2016 ARPathway2016_1103 Dimethylnaphthalene 28804-88-8 DTXSID7025130 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C*.C*.C1=CC2=C(C=C1)C=CC=C2 |c:2,6,9,11,m:1:4.5,3:4.8.9.10.11.12.13| Dimethylnaphthalene 28804-88-8|Dimethylnaphthalene|EINECS 249-241-5|1335-93-9|27457-31-4|65338-04-7|65338-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025130 https://doi.org/10.22427/NTP-DATA-DTXSID7025130
ERPathway2016 ERPathway2016_1018 Dimethylnaphthalene 28804-88-8 DTXSID7025130 ER Pathway Model, Agonist Model Score 0 Unitless C*.C*.C1=CC2=C(C=C1)C=CC=C2 |c:2,6,9,11,m:1:4.5,3:4.8.9.10.11.12.13| Dimethylnaphthalene 28804-88-8|Dimethylnaphthalene|EINECS 249-241-5|1335-93-9|27457-31-4|65338-04-7|65338-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025130 https://doi.org/10.22427/NTP-DATA-DTXSID7025130
ERPathway2016 ERPathway2016_1018 Dimethylnaphthalene 28804-88-8 DTXSID7025130 ER Pathway Model, Antagonist Model Score 0 Unitless C*.C*.C1=CC2=C(C=C1)C=CC=C2 |c:2,6,9,11,m:1:4.5,3:4.8.9.10.11.12.13| Dimethylnaphthalene 28804-88-8|Dimethylnaphthalene|EINECS 249-241-5|1335-93-9|27457-31-4|65338-04-7|65338-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025130 https://doi.org/10.22427/NTP-DATA-DTXSID7025130
ERPathway2016 ERPathway2016_1018 Dimethylnaphthalene 28804-88-8 DTXSID7025130 ER Pathway Model, Agonist Call Inactive Unitless C*.C*.C1=CC2=C(C=C1)C=CC=C2 |c:2,6,9,11,m:1:4.5,3:4.8.9.10.11.12.13| Dimethylnaphthalene 28804-88-8|Dimethylnaphthalene|EINECS 249-241-5|1335-93-9|27457-31-4|65338-04-7|65338-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025130 https://doi.org/10.22427/NTP-DATA-DTXSID7025130
ERPathway2016 ERPathway2016_1018 Dimethylnaphthalene 28804-88-8 DTXSID7025130 ER Pathway Model, Antagonist Call Inactive Unitless C*.C*.C1=CC2=C(C=C1)C=CC=C2 |c:2,6,9,11,m:1:4.5,3:4.8.9.10.11.12.13| Dimethylnaphthalene 28804-88-8|Dimethylnaphthalene|EINECS 249-241-5|1335-93-9|27457-31-4|65338-04-7|65338-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025130 https://doi.org/10.22427/NTP-DATA-DTXSID7025130
ARPathway2016 ARPathway2016_270 Dimethyltin dichloride 753-73-1 DTXSID5027304 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 44.48965353 uM C[Sn](C)(Cl)Cl Dimethyltin dichloride 753-73-1|Dimethyltin dichloride|Dichlorid dimethylcinicity|Dichlorodimethylstannane|Dichlorodimethyltin|dichlorure de dimethyletain|Dichlorure de dimethylstannane|dicloruro de dimetilestano|Dimethyldichlorostannane|Dimethyldichlorotin|Dimethylstannyl dichloride|Dimethyltin(IV) dichloride|Dimethyltindichloride|Dimethylzinndichlorid|Dimethylzinndichloride|EINECS 212-039-2|NSC 55159|Stannane, dichlorodimethyl-|TIN, DIMETHYL DICHLORIDE|Tin, dimethyl-, dichloride|UNII-7K42FNK7A0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027304 https://doi.org/10.22427/NTP-DATA-DTXSID5027304
ARPathway2016 ARPathway2016_270 Dimethyltin dichloride 753-73-1 DTXSID5027304 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 40.84781612 uM C[Sn](C)(Cl)Cl Dimethyltin dichloride 753-73-1|Dimethyltin dichloride|Dichlorid dimethylcinicity|Dichlorodimethylstannane|Dichlorodimethyltin|dichlorure de dimethyletain|Dichlorure de dimethylstannane|dicloruro de dimetilestano|Dimethyldichlorostannane|Dimethyldichlorotin|Dimethylstannyl dichloride|Dimethyltin(IV) dichloride|Dimethyltindichloride|Dimethylzinndichlorid|Dimethylzinndichloride|EINECS 212-039-2|NSC 55159|Stannane, dichlorodimethyl-|TIN, DIMETHYL DICHLORIDE|Tin, dimethyl-, dichloride|UNII-7K42FNK7A0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027304 https://doi.org/10.22427/NTP-DATA-DTXSID5027304
ARPathway2016 ARPathway2016_270 Dimethyltin dichloride 753-73-1 DTXSID5027304 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.061 Unitless C[Sn](C)(Cl)Cl Dimethyltin dichloride 753-73-1|Dimethyltin dichloride|Dichlorid dimethylcinicity|Dichlorodimethylstannane|Dichlorodimethyltin|dichlorure de dimethyletain|Dichlorure de dimethylstannane|dicloruro de dimetilestano|Dimethyldichlorostannane|Dimethyldichlorotin|Dimethylstannyl dichloride|Dimethyltin(IV) dichloride|Dimethyltindichloride|Dimethylzinndichlorid|Dimethylzinndichloride|EINECS 212-039-2|NSC 55159|Stannane, dichlorodimethyl-|TIN, DIMETHYL DICHLORIDE|Tin, dimethyl-, dichloride|UNII-7K42FNK7A0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027304 https://doi.org/10.22427/NTP-DATA-DTXSID5027304
ARPathway2016 ARPathway2016_270 Dimethyltin dichloride 753-73-1 DTXSID5027304 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless C[Sn](C)(Cl)Cl Dimethyltin dichloride 753-73-1|Dimethyltin dichloride|Dichlorid dimethylcinicity|Dichlorodimethylstannane|Dichlorodimethyltin|dichlorure de dimethyletain|Dichlorure de dimethylstannane|dicloruro de dimetilestano|Dimethyldichlorostannane|Dimethyldichlorotin|Dimethylstannyl dichloride|Dimethyltin(IV) dichloride|Dimethyltindichloride|Dimethylzinndichlorid|Dimethylzinndichloride|EINECS 212-039-2|NSC 55159|Stannane, dichlorodimethyl-|TIN, DIMETHYL DICHLORIDE|Tin, dimethyl-, dichloride|UNII-7K42FNK7A0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027304 https://doi.org/10.22427/NTP-DATA-DTXSID5027304
ARPathway2016 ARPathway2016_270 Dimethyltin dichloride 753-73-1 DTXSID5027304 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless C[Sn](C)(Cl)Cl Dimethyltin dichloride 753-73-1|Dimethyltin dichloride|Dichlorid dimethylcinicity|Dichlorodimethylstannane|Dichlorodimethyltin|dichlorure de dimethyletain|Dichlorure de dimethylstannane|dicloruro de dimetilestano|Dimethyldichlorostannane|Dimethyldichlorotin|Dimethylstannyl dichloride|Dimethyltin(IV) dichloride|Dimethyltindichloride|Dimethylzinndichlorid|Dimethylzinndichloride|EINECS 212-039-2|NSC 55159|Stannane, dichlorodimethyl-|TIN, DIMETHYL DICHLORIDE|Tin, dimethyl-, dichloride|UNII-7K42FNK7A0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027304 https://doi.org/10.22427/NTP-DATA-DTXSID5027304
ARPathway2016 ARPathway2016_270 Dimethyltin dichloride 753-73-1 DTXSID5027304 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless C[Sn](C)(Cl)Cl Dimethyltin dichloride 753-73-1|Dimethyltin dichloride|Dichlorid dimethylcinicity|Dichlorodimethylstannane|Dichlorodimethyltin|dichlorure de dimethyletain|Dichlorure de dimethylstannane|dicloruro de dimetilestano|Dimethyldichlorostannane|Dimethyldichlorotin|Dimethylstannyl dichloride|Dimethyltin(IV) dichloride|Dimethyltindichloride|Dimethylzinndichlorid|Dimethylzinndichloride|EINECS 212-039-2|NSC 55159|Stannane, dichlorodimethyl-|TIN, DIMETHYL DICHLORIDE|Tin, dimethyl-, dichloride|UNII-7K42FNK7A0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027304 https://doi.org/10.22427/NTP-DATA-DTXSID5027304
ERPathway2016 ERPathway2016_1635 Dimethyltin dichloride 753-73-1 DTXSID5027304 ER Pathway Model, Agonist Model Score 0 Unitless C[Sn](C)(Cl)Cl Dimethyltin dichloride 753-73-1|Dimethyltin dichloride|Dichlorid dimethylcinicity|Dichlorodimethylstannane|Dichlorodimethyltin|dichlorure de dimethyletain|Dichlorure de dimethylstannane|dicloruro de dimetilestano|Dimethyldichlorostannane|Dimethyldichlorotin|Dimethylstannyl dichloride|Dimethyltin(IV) dichloride|Dimethyltindichloride|Dimethylzinndichlorid|Dimethylzinndichloride|EINECS 212-039-2|NSC 55159|Stannane, dichlorodimethyl-|TIN, DIMETHYL DICHLORIDE|Tin, dimethyl-, dichloride|UNII-7K42FNK7A0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027304 https://doi.org/10.22427/NTP-DATA-DTXSID5027304
ERPathway2016 ERPathway2016_1635 Dimethyltin dichloride 753-73-1 DTXSID5027304 ER Pathway Model, Antagonist Model Score 0 Unitless C[Sn](C)(Cl)Cl Dimethyltin dichloride 753-73-1|Dimethyltin dichloride|Dichlorid dimethylcinicity|Dichlorodimethylstannane|Dichlorodimethyltin|dichlorure de dimethyletain|Dichlorure de dimethylstannane|dicloruro de dimetilestano|Dimethyldichlorostannane|Dimethyldichlorotin|Dimethylstannyl dichloride|Dimethyltin(IV) dichloride|Dimethyltindichloride|Dimethylzinndichlorid|Dimethylzinndichloride|EINECS 212-039-2|NSC 55159|Stannane, dichlorodimethyl-|TIN, DIMETHYL DICHLORIDE|Tin, dimethyl-, dichloride|UNII-7K42FNK7A0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027304 https://doi.org/10.22427/NTP-DATA-DTXSID5027304
ERPathway2016 ERPathway2016_1635 Dimethyltin dichloride 753-73-1 DTXSID5027304 ER Pathway Model, Agonist Call Inactive Unitless C[Sn](C)(Cl)Cl Dimethyltin dichloride 753-73-1|Dimethyltin dichloride|Dichlorid dimethylcinicity|Dichlorodimethylstannane|Dichlorodimethyltin|dichlorure de dimethyletain|Dichlorure de dimethylstannane|dicloruro de dimetilestano|Dimethyldichlorostannane|Dimethyldichlorotin|Dimethylstannyl dichloride|Dimethyltin(IV) dichloride|Dimethyltindichloride|Dimethylzinndichlorid|Dimethylzinndichloride|EINECS 212-039-2|NSC 55159|Stannane, dichlorodimethyl-|TIN, DIMETHYL DICHLORIDE|Tin, dimethyl-, dichloride|UNII-7K42FNK7A0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027304 https://doi.org/10.22427/NTP-DATA-DTXSID5027304
ERPathway2016 ERPathway2016_1635 Dimethyltin dichloride 753-73-1 DTXSID5027304 ER Pathway Model, Antagonist Call Inactive Unitless C[Sn](C)(Cl)Cl Dimethyltin dichloride 753-73-1|Dimethyltin dichloride|Dichlorid dimethylcinicity|Dichlorodimethylstannane|Dichlorodimethyltin|dichlorure de dimethyletain|Dichlorure de dimethylstannane|dicloruro de dimetilestano|Dimethyldichlorostannane|Dimethyldichlorotin|Dimethylstannyl dichloride|Dimethyltin(IV) dichloride|Dimethyltindichloride|Dimethylzinndichlorid|Dimethylzinndichloride|EINECS 212-039-2|NSC 55159|Stannane, dichlorodimethyl-|TIN, DIMETHYL DICHLORIDE|Tin, dimethyl-, dichloride|UNII-7K42FNK7A0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027304 https://doi.org/10.22427/NTP-DATA-DTXSID5027304
ARPathway2016 ARPathway2016_294 Diniconazole 83657-24-3 DTXSID2040363 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 31.9212647869186 uM CC(C)(C)C(O)C(=C/C1=C(Cl)C=C(Cl)C=C1)N1C=NC=N1 Diniconazole 83657-24-3|Diniconazole|(E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (betaE)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-(+/-)-|Mixor|Nb 2|Nb 2 (pesticide)|Ortho spotless|S 3308|S 3308-10|S 3308L|Spotless|Sumi|Sumi 8|Sumi 8-020FS|Sumi 8-12.5WP|UNII-X82HVO1N83|XE 779|101179-53-7|76714-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040363
ARPathway2016 ARPathway2016_294 Diniconazole 83657-24-3 DTXSID2040363 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 21.2358897870398 uM CC(C)(C)C(O)C(=C/C1=C(Cl)C=C(Cl)C=C1)N1C=NC=N1 Diniconazole 83657-24-3|Diniconazole|(E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (betaE)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-(+/-)-|Mixor|Nb 2|Nb 2 (pesticide)|Ortho spotless|S 3308|S 3308-10|S 3308L|Spotless|Sumi|Sumi 8|Sumi 8-020FS|Sumi 8-12.5WP|UNII-X82HVO1N83|XE 779|101179-53-7|76714-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040363
ARPathway2016 ARPathway2016_294 Diniconazole 83657-24-3 DTXSID2040363 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.182 Unitless CC(C)(C)C(O)C(=C/C1=C(Cl)C=C(Cl)C=C1)N1C=NC=N1 Diniconazole 83657-24-3|Diniconazole|(E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (betaE)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-(+/-)-|Mixor|Nb 2|Nb 2 (pesticide)|Ortho spotless|S 3308|S 3308-10|S 3308L|Spotless|Sumi|Sumi 8|Sumi 8-020FS|Sumi 8-12.5WP|UNII-X82HVO1N83|XE 779|101179-53-7|76714-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040363
ARPathway2016 ARPathway2016_294 Diniconazole 83657-24-3 DTXSID2040363 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C(O)C(=C/C1=C(Cl)C=C(Cl)C=C1)N1C=NC=N1 Diniconazole 83657-24-3|Diniconazole|(E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (betaE)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-(+/-)-|Mixor|Nb 2|Nb 2 (pesticide)|Ortho spotless|S 3308|S 3308-10|S 3308L|Spotless|Sumi|Sumi 8|Sumi 8-020FS|Sumi 8-12.5WP|UNII-X82HVO1N83|XE 779|101179-53-7|76714-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040363
ARPathway2016 ARPathway2016_294 Diniconazole 83657-24-3 DTXSID2040363 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)(C)C(O)C(=C/C1=C(Cl)C=C(Cl)C=C1)N1C=NC=N1 Diniconazole 83657-24-3|Diniconazole|(E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (betaE)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-(+/-)-|Mixor|Nb 2|Nb 2 (pesticide)|Ortho spotless|S 3308|S 3308-10|S 3308L|Spotless|Sumi|Sumi 8|Sumi 8-020FS|Sumi 8-12.5WP|UNII-X82HVO1N83|XE 779|101179-53-7|76714-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040363
ARPathway2016 ARPathway2016_294 Diniconazole 83657-24-3 DTXSID2040363 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C(O)C(=C/C1=C(Cl)C=C(Cl)C=C1)N1C=NC=N1 Diniconazole 83657-24-3|Diniconazole|(E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (betaE)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-(+/-)-|Mixor|Nb 2|Nb 2 (pesticide)|Ortho spotless|S 3308|S 3308-10|S 3308L|Spotless|Sumi|Sumi 8|Sumi 8-020FS|Sumi 8-12.5WP|UNII-X82HVO1N83|XE 779|101179-53-7|76714-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040363
ERPathway2016 ERPathway2016_92 Diniconazole 83657-24-3 DTXSID2040363 ER Pathway Model, Agonist AC50 80.5876615385978 uM CC(C)(C)C(O)C(=C/C1=C(Cl)C=C(Cl)C=C1)N1C=NC=N1 Diniconazole 83657-24-3|Diniconazole|(E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (betaE)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-(+/-)-|Mixor|Nb 2|Nb 2 (pesticide)|Ortho spotless|S 3308|S 3308-10|S 3308L|Spotless|Sumi|Sumi 8|Sumi 8-020FS|Sumi 8-12.5WP|UNII-X82HVO1N83|XE 779|101179-53-7|76714-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040363
ERPathway2016 ERPathway2016_92 Diniconazole 83657-24-3 DTXSID2040363 ER Pathway Model, Agonist ACC 74.040244825341 uM CC(C)(C)C(O)C(=C/C1=C(Cl)C=C(Cl)C=C1)N1C=NC=N1 Diniconazole 83657-24-3|Diniconazole|(E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (betaE)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-(+/-)-|Mixor|Nb 2|Nb 2 (pesticide)|Ortho spotless|S 3308|S 3308-10|S 3308L|Spotless|Sumi|Sumi 8|Sumi 8-020FS|Sumi 8-12.5WP|UNII-X82HVO1N83|XE 779|101179-53-7|76714-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040363
ERPathway2016 ERPathway2016_92 Diniconazole 83657-24-3 DTXSID2040363 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C(O)C(=C/C1=C(Cl)C=C(Cl)C=C1)N1C=NC=N1 Diniconazole 83657-24-3|Diniconazole|(E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (betaE)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-(+/-)-|Mixor|Nb 2|Nb 2 (pesticide)|Ortho spotless|S 3308|S 3308-10|S 3308L|Spotless|Sumi|Sumi 8|Sumi 8-020FS|Sumi 8-12.5WP|UNII-X82HVO1N83|XE 779|101179-53-7|76714-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040363
ERPathway2016 ERPathway2016_92 Diniconazole 83657-24-3 DTXSID2040363 ER Pathway Model, Antagonist Model Score 0.00761 Unitless CC(C)(C)C(O)C(=C/C1=C(Cl)C=C(Cl)C=C1)N1C=NC=N1 Diniconazole 83657-24-3|Diniconazole|(E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (betaE)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-(+/-)-|Mixor|Nb 2|Nb 2 (pesticide)|Ortho spotless|S 3308|S 3308-10|S 3308L|Spotless|Sumi|Sumi 8|Sumi 8-020FS|Sumi 8-12.5WP|UNII-X82HVO1N83|XE 779|101179-53-7|76714-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040363
ERPathway2016 ERPathway2016_92 Diniconazole 83657-24-3 DTXSID2040363 ER Pathway Model, Agonist Call Active Unitless CC(C)(C)C(O)C(=C/C1=C(Cl)C=C(Cl)C=C1)N1C=NC=N1 Diniconazole 83657-24-3|Diniconazole|(E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (betaE)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-(+/-)-|Mixor|Nb 2|Nb 2 (pesticide)|Ortho spotless|S 3308|S 3308-10|S 3308L|Spotless|Sumi|Sumi 8|Sumi 8-020FS|Sumi 8-12.5WP|UNII-X82HVO1N83|XE 779|101179-53-7|76714-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040363
ERPathway2016 ERPathway2016_92 Diniconazole 83657-24-3 DTXSID2040363 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C(O)C(=C/C1=C(Cl)C=C(Cl)C=C1)N1C=NC=N1 Diniconazole 83657-24-3|Diniconazole|(E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (betaE)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-|1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (E)-(+/-)-|Mixor|Nb 2|Nb 2 (pesticide)|Ortho spotless|S 3308|S 3308-10|S 3308L|Spotless|Sumi|Sumi 8|Sumi 8-020FS|Sumi 8-12.5WP|UNII-X82HVO1N83|XE 779|101179-53-7|76714-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040363
ARPathway2016 ARPathway2016_168 Dinocap 39300-45-3 DTXSID3040352 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 17.18143061 uM Dinocap 39300-45-3|Dinocap|(6-(1-Methyl-heptyl)-2,3-dinitro-phenyl)-crotonat|(6-(1-Methyl-heptyl)-2,4-dinitro-fenyl)-crotonaat|(6-(1-Metil-epitl)-2,4-dinitro-fenil)-crotonato|2-(1-Methylheptyl)-4,6-dinitrofenylester kyseliny krotonove|2-Butenoic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester|2-Capryl-4,6-dinitrophenyl crotonate|2,4-Dinitro-6-(1-methylheptyl)-phenylcrotonat|2,4-Dinitro-6-(2-octyl)phenyl crotonate|2,4-Dinitro-6-octyl-phenyl crotonate|2,6-Dinitro-4-octyl-phenyl crotonate|4,6-Dinitro-2-(1-methylheptyl)phenyl crotonate|4,6-Dinitro-2-(2-capryl)phenyl crotonate|4,6-Dinitro-2-caprylphenyl crotonate|Actual dinocap|Arathane|Caprane|Capryldinitrophenyl crotonate|Caratan|Carathane|Caswell No. 391D|Crotonate de 2,4-dinitro 6-(1-methyl-heptyl)-phenyle|Crotonic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|Crotonic acid 2,4-dinitro-6-(1-methylheptyl)phenyl ester|Crotonic acid 2,4-dinitro-6-(2-octyl)phenyl ester|Crotothane|Dinitro methylheptyphenyl crotonate|Dinitro(|1135443-31-0|12684-10-5|57131-13-2|57526-97-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040352
ARPathway2016 ARPathway2016_168 Dinocap 39300-45-3 DTXSID3040352 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 10.05233765 uM Dinocap 39300-45-3|Dinocap|(6-(1-Methyl-heptyl)-2,3-dinitro-phenyl)-crotonat|(6-(1-Methyl-heptyl)-2,4-dinitro-fenyl)-crotonaat|(6-(1-Metil-epitl)-2,4-dinitro-fenil)-crotonato|2-(1-Methylheptyl)-4,6-dinitrofenylester kyseliny krotonove|2-Butenoic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester|2-Capryl-4,6-dinitrophenyl crotonate|2,4-Dinitro-6-(1-methylheptyl)-phenylcrotonat|2,4-Dinitro-6-(2-octyl)phenyl crotonate|2,4-Dinitro-6-octyl-phenyl crotonate|2,6-Dinitro-4-octyl-phenyl crotonate|4,6-Dinitro-2-(1-methylheptyl)phenyl crotonate|4,6-Dinitro-2-(2-capryl)phenyl crotonate|4,6-Dinitro-2-caprylphenyl crotonate|Actual dinocap|Arathane|Caprane|Capryldinitrophenyl crotonate|Caratan|Carathane|Caswell No. 391D|Crotonate de 2,4-dinitro 6-(1-methyl-heptyl)-phenyle|Crotonic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|Crotonic acid 2,4-dinitro-6-(1-methylheptyl)phenyl ester|Crotonic acid 2,4-dinitro-6-(2-octyl)phenyl ester|Crotothane|Dinitro methylheptyphenyl crotonate|Dinitro(|1135443-31-0|12684-10-5|57131-13-2|57526-97-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040352
ARPathway2016 ARPathway2016_168 Dinocap 39300-45-3 DTXSID3040352 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.301 Unitless Dinocap 39300-45-3|Dinocap|(6-(1-Methyl-heptyl)-2,3-dinitro-phenyl)-crotonat|(6-(1-Methyl-heptyl)-2,4-dinitro-fenyl)-crotonaat|(6-(1-Metil-epitl)-2,4-dinitro-fenil)-crotonato|2-(1-Methylheptyl)-4,6-dinitrofenylester kyseliny krotonove|2-Butenoic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester|2-Capryl-4,6-dinitrophenyl crotonate|2,4-Dinitro-6-(1-methylheptyl)-phenylcrotonat|2,4-Dinitro-6-(2-octyl)phenyl crotonate|2,4-Dinitro-6-octyl-phenyl crotonate|2,6-Dinitro-4-octyl-phenyl crotonate|4,6-Dinitro-2-(1-methylheptyl)phenyl crotonate|4,6-Dinitro-2-(2-capryl)phenyl crotonate|4,6-Dinitro-2-caprylphenyl crotonate|Actual dinocap|Arathane|Caprane|Capryldinitrophenyl crotonate|Caratan|Carathane|Caswell No. 391D|Crotonate de 2,4-dinitro 6-(1-methyl-heptyl)-phenyle|Crotonic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|Crotonic acid 2,4-dinitro-6-(1-methylheptyl)phenyl ester|Crotonic acid 2,4-dinitro-6-(2-octyl)phenyl ester|Crotothane|Dinitro methylheptyphenyl crotonate|Dinitro(|1135443-31-0|12684-10-5|57131-13-2|57526-97-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040352
ARPathway2016 ARPathway2016_168 Dinocap 39300-45-3 DTXSID3040352 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless Dinocap 39300-45-3|Dinocap|(6-(1-Methyl-heptyl)-2,3-dinitro-phenyl)-crotonat|(6-(1-Methyl-heptyl)-2,4-dinitro-fenyl)-crotonaat|(6-(1-Metil-epitl)-2,4-dinitro-fenil)-crotonato|2-(1-Methylheptyl)-4,6-dinitrofenylester kyseliny krotonove|2-Butenoic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester|2-Capryl-4,6-dinitrophenyl crotonate|2,4-Dinitro-6-(1-methylheptyl)-phenylcrotonat|2,4-Dinitro-6-(2-octyl)phenyl crotonate|2,4-Dinitro-6-octyl-phenyl crotonate|2,6-Dinitro-4-octyl-phenyl crotonate|4,6-Dinitro-2-(1-methylheptyl)phenyl crotonate|4,6-Dinitro-2-(2-capryl)phenyl crotonate|4,6-Dinitro-2-caprylphenyl crotonate|Actual dinocap|Arathane|Caprane|Capryldinitrophenyl crotonate|Caratan|Carathane|Caswell No. 391D|Crotonate de 2,4-dinitro 6-(1-methyl-heptyl)-phenyle|Crotonic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|Crotonic acid 2,4-dinitro-6-(1-methylheptyl)phenyl ester|Crotonic acid 2,4-dinitro-6-(2-octyl)phenyl ester|Crotothane|Dinitro methylheptyphenyl crotonate|Dinitro(|1135443-31-0|12684-10-5|57131-13-2|57526-97-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040352
ARPathway2016 ARPathway2016_168 Dinocap 39300-45-3 DTXSID3040352 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Dinocap 39300-45-3|Dinocap|(6-(1-Methyl-heptyl)-2,3-dinitro-phenyl)-crotonat|(6-(1-Methyl-heptyl)-2,4-dinitro-fenyl)-crotonaat|(6-(1-Metil-epitl)-2,4-dinitro-fenil)-crotonato|2-(1-Methylheptyl)-4,6-dinitrofenylester kyseliny krotonove|2-Butenoic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester|2-Capryl-4,6-dinitrophenyl crotonate|2,4-Dinitro-6-(1-methylheptyl)-phenylcrotonat|2,4-Dinitro-6-(2-octyl)phenyl crotonate|2,4-Dinitro-6-octyl-phenyl crotonate|2,6-Dinitro-4-octyl-phenyl crotonate|4,6-Dinitro-2-(1-methylheptyl)phenyl crotonate|4,6-Dinitro-2-(2-capryl)phenyl crotonate|4,6-Dinitro-2-caprylphenyl crotonate|Actual dinocap|Arathane|Caprane|Capryldinitrophenyl crotonate|Caratan|Carathane|Caswell No. 391D|Crotonate de 2,4-dinitro 6-(1-methyl-heptyl)-phenyle|Crotonic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|Crotonic acid 2,4-dinitro-6-(1-methylheptyl)phenyl ester|Crotonic acid 2,4-dinitro-6-(2-octyl)phenyl ester|Crotothane|Dinitro methylheptyphenyl crotonate|Dinitro(|1135443-31-0|12684-10-5|57131-13-2|57526-97-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040352
ARPathway2016 ARPathway2016_168 Dinocap 39300-45-3 DTXSID3040352 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Dinocap 39300-45-3|Dinocap|(6-(1-Methyl-heptyl)-2,3-dinitro-phenyl)-crotonat|(6-(1-Methyl-heptyl)-2,4-dinitro-fenyl)-crotonaat|(6-(1-Metil-epitl)-2,4-dinitro-fenil)-crotonato|2-(1-Methylheptyl)-4,6-dinitrofenylester kyseliny krotonove|2-Butenoic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester|2-Capryl-4,6-dinitrophenyl crotonate|2,4-Dinitro-6-(1-methylheptyl)-phenylcrotonat|2,4-Dinitro-6-(2-octyl)phenyl crotonate|2,4-Dinitro-6-octyl-phenyl crotonate|2,6-Dinitro-4-octyl-phenyl crotonate|4,6-Dinitro-2-(1-methylheptyl)phenyl crotonate|4,6-Dinitro-2-(2-capryl)phenyl crotonate|4,6-Dinitro-2-caprylphenyl crotonate|Actual dinocap|Arathane|Caprane|Capryldinitrophenyl crotonate|Caratan|Carathane|Caswell No. 391D|Crotonate de 2,4-dinitro 6-(1-methyl-heptyl)-phenyle|Crotonic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|Crotonic acid 2,4-dinitro-6-(1-methylheptyl)phenyl ester|Crotonic acid 2,4-dinitro-6-(2-octyl)phenyl ester|Crotothane|Dinitro methylheptyphenyl crotonate|Dinitro(|1135443-31-0|12684-10-5|57131-13-2|57526-97-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040352
ERPathway2016 ERPathway2016_78 Dinocap 39300-45-3 DTXSID3040352 ER Pathway Model, Agonist AC50 30.8728020176659 uM Dinocap 39300-45-3|Dinocap|(6-(1-Methyl-heptyl)-2,3-dinitro-phenyl)-crotonat|(6-(1-Methyl-heptyl)-2,4-dinitro-fenyl)-crotonaat|(6-(1-Metil-epitl)-2,4-dinitro-fenil)-crotonato|2-(1-Methylheptyl)-4,6-dinitrofenylester kyseliny krotonove|2-Butenoic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester|2-Capryl-4,6-dinitrophenyl crotonate|2,4-Dinitro-6-(1-methylheptyl)-phenylcrotonat|2,4-Dinitro-6-(2-octyl)phenyl crotonate|2,4-Dinitro-6-octyl-phenyl crotonate|2,6-Dinitro-4-octyl-phenyl crotonate|4,6-Dinitro-2-(1-methylheptyl)phenyl crotonate|4,6-Dinitro-2-(2-capryl)phenyl crotonate|4,6-Dinitro-2-caprylphenyl crotonate|Actual dinocap|Arathane|Caprane|Capryldinitrophenyl crotonate|Caratan|Carathane|Caswell No. 391D|Crotonate de 2,4-dinitro 6-(1-methyl-heptyl)-phenyle|Crotonic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|Crotonic acid 2,4-dinitro-6-(1-methylheptyl)phenyl ester|Crotonic acid 2,4-dinitro-6-(2-octyl)phenyl ester|Crotothane|Dinitro methylheptyphenyl crotonate|Dinitro(|1135443-31-0|12684-10-5|57131-13-2|57526-97-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040352
ERPathway2016 ERPathway2016_78 Dinocap 39300-45-3 DTXSID3040352 ER Pathway Model, Agonist ACC 14.277186450618 uM Dinocap 39300-45-3|Dinocap|(6-(1-Methyl-heptyl)-2,3-dinitro-phenyl)-crotonat|(6-(1-Methyl-heptyl)-2,4-dinitro-fenyl)-crotonaat|(6-(1-Metil-epitl)-2,4-dinitro-fenil)-crotonato|2-(1-Methylheptyl)-4,6-dinitrofenylester kyseliny krotonove|2-Butenoic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester|2-Capryl-4,6-dinitrophenyl crotonate|2,4-Dinitro-6-(1-methylheptyl)-phenylcrotonat|2,4-Dinitro-6-(2-octyl)phenyl crotonate|2,4-Dinitro-6-octyl-phenyl crotonate|2,6-Dinitro-4-octyl-phenyl crotonate|4,6-Dinitro-2-(1-methylheptyl)phenyl crotonate|4,6-Dinitro-2-(2-capryl)phenyl crotonate|4,6-Dinitro-2-caprylphenyl crotonate|Actual dinocap|Arathane|Caprane|Capryldinitrophenyl crotonate|Caratan|Carathane|Caswell No. 391D|Crotonate de 2,4-dinitro 6-(1-methyl-heptyl)-phenyle|Crotonic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|Crotonic acid 2,4-dinitro-6-(1-methylheptyl)phenyl ester|Crotonic acid 2,4-dinitro-6-(2-octyl)phenyl ester|Crotothane|Dinitro methylheptyphenyl crotonate|Dinitro(|1135443-31-0|12684-10-5|57131-13-2|57526-97-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040352
ERPathway2016 ERPathway2016_78 Dinocap 39300-45-3 DTXSID3040352 ER Pathway Model, Agonist Model Score 0 Unitless Dinocap 39300-45-3|Dinocap|(6-(1-Methyl-heptyl)-2,3-dinitro-phenyl)-crotonat|(6-(1-Methyl-heptyl)-2,4-dinitro-fenyl)-crotonaat|(6-(1-Metil-epitl)-2,4-dinitro-fenil)-crotonato|2-(1-Methylheptyl)-4,6-dinitrofenylester kyseliny krotonove|2-Butenoic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester|2-Capryl-4,6-dinitrophenyl crotonate|2,4-Dinitro-6-(1-methylheptyl)-phenylcrotonat|2,4-Dinitro-6-(2-octyl)phenyl crotonate|2,4-Dinitro-6-octyl-phenyl crotonate|2,6-Dinitro-4-octyl-phenyl crotonate|4,6-Dinitro-2-(1-methylheptyl)phenyl crotonate|4,6-Dinitro-2-(2-capryl)phenyl crotonate|4,6-Dinitro-2-caprylphenyl crotonate|Actual dinocap|Arathane|Caprane|Capryldinitrophenyl crotonate|Caratan|Carathane|Caswell No. 391D|Crotonate de 2,4-dinitro 6-(1-methyl-heptyl)-phenyle|Crotonic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|Crotonic acid 2,4-dinitro-6-(1-methylheptyl)phenyl ester|Crotonic acid 2,4-dinitro-6-(2-octyl)phenyl ester|Crotothane|Dinitro methylheptyphenyl crotonate|Dinitro(|1135443-31-0|12684-10-5|57131-13-2|57526-97-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040352
ERPathway2016 ERPathway2016_78 Dinocap 39300-45-3 DTXSID3040352 ER Pathway Model, Antagonist Model Score 0.0465 Unitless Dinocap 39300-45-3|Dinocap|(6-(1-Methyl-heptyl)-2,3-dinitro-phenyl)-crotonat|(6-(1-Methyl-heptyl)-2,4-dinitro-fenyl)-crotonaat|(6-(1-Metil-epitl)-2,4-dinitro-fenil)-crotonato|2-(1-Methylheptyl)-4,6-dinitrofenylester kyseliny krotonove|2-Butenoic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester|2-Capryl-4,6-dinitrophenyl crotonate|2,4-Dinitro-6-(1-methylheptyl)-phenylcrotonat|2,4-Dinitro-6-(2-octyl)phenyl crotonate|2,4-Dinitro-6-octyl-phenyl crotonate|2,6-Dinitro-4-octyl-phenyl crotonate|4,6-Dinitro-2-(1-methylheptyl)phenyl crotonate|4,6-Dinitro-2-(2-capryl)phenyl crotonate|4,6-Dinitro-2-caprylphenyl crotonate|Actual dinocap|Arathane|Caprane|Capryldinitrophenyl crotonate|Caratan|Carathane|Caswell No. 391D|Crotonate de 2,4-dinitro 6-(1-methyl-heptyl)-phenyle|Crotonic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|Crotonic acid 2,4-dinitro-6-(1-methylheptyl)phenyl ester|Crotonic acid 2,4-dinitro-6-(2-octyl)phenyl ester|Crotothane|Dinitro methylheptyphenyl crotonate|Dinitro(|1135443-31-0|12684-10-5|57131-13-2|57526-97-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040352
ERPathway2016 ERPathway2016_78 Dinocap 39300-45-3 DTXSID3040352 ER Pathway Model, Agonist Call Active Unitless Dinocap 39300-45-3|Dinocap|(6-(1-Methyl-heptyl)-2,3-dinitro-phenyl)-crotonat|(6-(1-Methyl-heptyl)-2,4-dinitro-fenyl)-crotonaat|(6-(1-Metil-epitl)-2,4-dinitro-fenil)-crotonato|2-(1-Methylheptyl)-4,6-dinitrofenylester kyseliny krotonove|2-Butenoic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester|2-Capryl-4,6-dinitrophenyl crotonate|2,4-Dinitro-6-(1-methylheptyl)-phenylcrotonat|2,4-Dinitro-6-(2-octyl)phenyl crotonate|2,4-Dinitro-6-octyl-phenyl crotonate|2,6-Dinitro-4-octyl-phenyl crotonate|4,6-Dinitro-2-(1-methylheptyl)phenyl crotonate|4,6-Dinitro-2-(2-capryl)phenyl crotonate|4,6-Dinitro-2-caprylphenyl crotonate|Actual dinocap|Arathane|Caprane|Capryldinitrophenyl crotonate|Caratan|Carathane|Caswell No. 391D|Crotonate de 2,4-dinitro 6-(1-methyl-heptyl)-phenyle|Crotonic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|Crotonic acid 2,4-dinitro-6-(1-methylheptyl)phenyl ester|Crotonic acid 2,4-dinitro-6-(2-octyl)phenyl ester|Crotothane|Dinitro methylheptyphenyl crotonate|Dinitro(|1135443-31-0|12684-10-5|57131-13-2|57526-97-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040352
ERPathway2016 ERPathway2016_78 Dinocap 39300-45-3 DTXSID3040352 ER Pathway Model, Antagonist Call Inactive Unitless Dinocap 39300-45-3|Dinocap|(6-(1-Methyl-heptyl)-2,3-dinitro-phenyl)-crotonat|(6-(1-Methyl-heptyl)-2,4-dinitro-fenyl)-crotonaat|(6-(1-Metil-epitl)-2,4-dinitro-fenil)-crotonato|2-(1-Methylheptyl)-4,6-dinitrofenylester kyseliny krotonove|2-Butenoic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester|2-Capryl-4,6-dinitrophenyl crotonate|2,4-Dinitro-6-(1-methylheptyl)-phenylcrotonat|2,4-Dinitro-6-(2-octyl)phenyl crotonate|2,4-Dinitro-6-octyl-phenyl crotonate|2,6-Dinitro-4-octyl-phenyl crotonate|4,6-Dinitro-2-(1-methylheptyl)phenyl crotonate|4,6-Dinitro-2-(2-capryl)phenyl crotonate|4,6-Dinitro-2-caprylphenyl crotonate|Actual dinocap|Arathane|Caprane|Capryldinitrophenyl crotonate|Caratan|Carathane|Caswell No. 391D|Crotonate de 2,4-dinitro 6-(1-methyl-heptyl)-phenyle|Crotonic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester|Crotonic acid 2,4-dinitro-6-(1-methylheptyl)phenyl ester|Crotonic acid 2,4-dinitro-6-(2-octyl)phenyl ester|Crotothane|Dinitro methylheptyphenyl crotonate|Dinitro(|1135443-31-0|12684-10-5|57131-13-2|57526-97-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040352
ARPathway2016 ARPathway2016_641 Di-n-octyl phthalate 117-84-0 DTXSID1021956 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC Di-n-octyl phthalate 117-84-0|Di-n-octyl phthalate|1,2-Benzenedicarboxylic acid dioctyl ester|1,2-Benzenedicarboxylic acid, 1,2-dioctyl ester|1,2-Benzenedicarboxylic acid, dioctyl ester|1,2-Di-n-octyl phthalate|AI3-15071|Benzenedicarboxylic acid di-n-octyl ester|bis(n-octyl) phthalate|BRN 1915994|DI-N-OCTYL PHTHALATE|Di-n-octylphthalate (DNOP)|DI-OCTYL PHTHALATE|Dicapryl phthalate|Dinopol NOP|Dioctyl 1,2-benzenedicarboxylate|Dioctyl o-benzenedicarboxylate|Dioctyl o-phthalate|Dioctylphthalat|Dioktylester kyseliny ftalove|DNOP|EINECS 204-214-7|ftalato de dioctilo|Monocizer W 555|n-Dioctyl phthalate|n-Octyl phthalate|NSC 15318|o-Benzenedicarboxylic acid, dioctyl ester|Octyl phthalate|Phtalate de dioctyle|PHTHALATE, DIOCTYL|Phthalic acid, dioctyl ester|PHTHALSAEURE-DI-N-OCTYL-ESTER|Polycizer 162|RCRA waste number U107|UNII-8X3RJ0527W|Vinicizer 85|Vinycizer 85|8031-29-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021956
ARPathway2016 ARPathway2016_641 Di-n-octyl phthalate 117-84-0 DTXSID1021956 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC Di-n-octyl phthalate 117-84-0|Di-n-octyl phthalate|1,2-Benzenedicarboxylic acid dioctyl ester|1,2-Benzenedicarboxylic acid, 1,2-dioctyl ester|1,2-Benzenedicarboxylic acid, dioctyl ester|1,2-Di-n-octyl phthalate|AI3-15071|Benzenedicarboxylic acid di-n-octyl ester|bis(n-octyl) phthalate|BRN 1915994|DI-N-OCTYL PHTHALATE|Di-n-octylphthalate (DNOP)|DI-OCTYL PHTHALATE|Dicapryl phthalate|Dinopol NOP|Dioctyl 1,2-benzenedicarboxylate|Dioctyl o-benzenedicarboxylate|Dioctyl o-phthalate|Dioctylphthalat|Dioktylester kyseliny ftalove|DNOP|EINECS 204-214-7|ftalato de dioctilo|Monocizer W 555|n-Dioctyl phthalate|n-Octyl phthalate|NSC 15318|o-Benzenedicarboxylic acid, dioctyl ester|Octyl phthalate|Phtalate de dioctyle|PHTHALATE, DIOCTYL|Phthalic acid, dioctyl ester|PHTHALSAEURE-DI-N-OCTYL-ESTER|Polycizer 162|RCRA waste number U107|UNII-8X3RJ0527W|Vinicizer 85|Vinycizer 85|8031-29-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021956
ARPathway2016 ARPathway2016_641 Di-n-octyl phthalate 117-84-0 DTXSID1021956 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC Di-n-octyl phthalate 117-84-0|Di-n-octyl phthalate|1,2-Benzenedicarboxylic acid dioctyl ester|1,2-Benzenedicarboxylic acid, 1,2-dioctyl ester|1,2-Benzenedicarboxylic acid, dioctyl ester|1,2-Di-n-octyl phthalate|AI3-15071|Benzenedicarboxylic acid di-n-octyl ester|bis(n-octyl) phthalate|BRN 1915994|DI-N-OCTYL PHTHALATE|Di-n-octylphthalate (DNOP)|DI-OCTYL PHTHALATE|Dicapryl phthalate|Dinopol NOP|Dioctyl 1,2-benzenedicarboxylate|Dioctyl o-benzenedicarboxylate|Dioctyl o-phthalate|Dioctylphthalat|Dioktylester kyseliny ftalove|DNOP|EINECS 204-214-7|ftalato de dioctilo|Monocizer W 555|n-Dioctyl phthalate|n-Octyl phthalate|NSC 15318|o-Benzenedicarboxylic acid, dioctyl ester|Octyl phthalate|Phtalate de dioctyle|PHTHALATE, DIOCTYL|Phthalic acid, dioctyl ester|PHTHALSAEURE-DI-N-OCTYL-ESTER|Polycizer 162|RCRA waste number U107|UNII-8X3RJ0527W|Vinicizer 85|Vinycizer 85|8031-29-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021956
ARPathway2016 ARPathway2016_641 Di-n-octyl phthalate 117-84-0 DTXSID1021956 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC Di-n-octyl phthalate 117-84-0|Di-n-octyl phthalate|1,2-Benzenedicarboxylic acid dioctyl ester|1,2-Benzenedicarboxylic acid, 1,2-dioctyl ester|1,2-Benzenedicarboxylic acid, dioctyl ester|1,2-Di-n-octyl phthalate|AI3-15071|Benzenedicarboxylic acid di-n-octyl ester|bis(n-octyl) phthalate|BRN 1915994|DI-N-OCTYL PHTHALATE|Di-n-octylphthalate (DNOP)|DI-OCTYL PHTHALATE|Dicapryl phthalate|Dinopol NOP|Dioctyl 1,2-benzenedicarboxylate|Dioctyl o-benzenedicarboxylate|Dioctyl o-phthalate|Dioctylphthalat|Dioktylester kyseliny ftalove|DNOP|EINECS 204-214-7|ftalato de dioctilo|Monocizer W 555|n-Dioctyl phthalate|n-Octyl phthalate|NSC 15318|o-Benzenedicarboxylic acid, dioctyl ester|Octyl phthalate|Phtalate de dioctyle|PHTHALATE, DIOCTYL|Phthalic acid, dioctyl ester|PHTHALSAEURE-DI-N-OCTYL-ESTER|Polycizer 162|RCRA waste number U107|UNII-8X3RJ0527W|Vinicizer 85|Vinycizer 85|8031-29-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021956
ERPathway2016 ERPathway2016_1194 Di-n-octyl phthalate 117-84-0 DTXSID1021956 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC Di-n-octyl phthalate 117-84-0|Di-n-octyl phthalate|1,2-Benzenedicarboxylic acid dioctyl ester|1,2-Benzenedicarboxylic acid, 1,2-dioctyl ester|1,2-Benzenedicarboxylic acid, dioctyl ester|1,2-Di-n-octyl phthalate|AI3-15071|Benzenedicarboxylic acid di-n-octyl ester|bis(n-octyl) phthalate|BRN 1915994|DI-N-OCTYL PHTHALATE|Di-n-octylphthalate (DNOP)|DI-OCTYL PHTHALATE|Dicapryl phthalate|Dinopol NOP|Dioctyl 1,2-benzenedicarboxylate|Dioctyl o-benzenedicarboxylate|Dioctyl o-phthalate|Dioctylphthalat|Dioktylester kyseliny ftalove|DNOP|EINECS 204-214-7|ftalato de dioctilo|Monocizer W 555|n-Dioctyl phthalate|n-Octyl phthalate|NSC 15318|o-Benzenedicarboxylic acid, dioctyl ester|Octyl phthalate|Phtalate de dioctyle|PHTHALATE, DIOCTYL|Phthalic acid, dioctyl ester|PHTHALSAEURE-DI-N-OCTYL-ESTER|Polycizer 162|RCRA waste number U107|UNII-8X3RJ0527W|Vinicizer 85|Vinycizer 85|8031-29-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021956
ERPathway2016 ERPathway2016_1194 Di-n-octyl phthalate 117-84-0 DTXSID1021956 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC Di-n-octyl phthalate 117-84-0|Di-n-octyl phthalate|1,2-Benzenedicarboxylic acid dioctyl ester|1,2-Benzenedicarboxylic acid, 1,2-dioctyl ester|1,2-Benzenedicarboxylic acid, dioctyl ester|1,2-Di-n-octyl phthalate|AI3-15071|Benzenedicarboxylic acid di-n-octyl ester|bis(n-octyl) phthalate|BRN 1915994|DI-N-OCTYL PHTHALATE|Di-n-octylphthalate (DNOP)|DI-OCTYL PHTHALATE|Dicapryl phthalate|Dinopol NOP|Dioctyl 1,2-benzenedicarboxylate|Dioctyl o-benzenedicarboxylate|Dioctyl o-phthalate|Dioctylphthalat|Dioktylester kyseliny ftalove|DNOP|EINECS 204-214-7|ftalato de dioctilo|Monocizer W 555|n-Dioctyl phthalate|n-Octyl phthalate|NSC 15318|o-Benzenedicarboxylic acid, dioctyl ester|Octyl phthalate|Phtalate de dioctyle|PHTHALATE, DIOCTYL|Phthalic acid, dioctyl ester|PHTHALSAEURE-DI-N-OCTYL-ESTER|Polycizer 162|RCRA waste number U107|UNII-8X3RJ0527W|Vinicizer 85|Vinycizer 85|8031-29-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021956
ERPathway2016 ERPathway2016_1194 Di-n-octyl phthalate 117-84-0 DTXSID1021956 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC Di-n-octyl phthalate 117-84-0|Di-n-octyl phthalate|1,2-Benzenedicarboxylic acid dioctyl ester|1,2-Benzenedicarboxylic acid, 1,2-dioctyl ester|1,2-Benzenedicarboxylic acid, dioctyl ester|1,2-Di-n-octyl phthalate|AI3-15071|Benzenedicarboxylic acid di-n-octyl ester|bis(n-octyl) phthalate|BRN 1915994|DI-N-OCTYL PHTHALATE|Di-n-octylphthalate (DNOP)|DI-OCTYL PHTHALATE|Dicapryl phthalate|Dinopol NOP|Dioctyl 1,2-benzenedicarboxylate|Dioctyl o-benzenedicarboxylate|Dioctyl o-phthalate|Dioctylphthalat|Dioktylester kyseliny ftalove|DNOP|EINECS 204-214-7|ftalato de dioctilo|Monocizer W 555|n-Dioctyl phthalate|n-Octyl phthalate|NSC 15318|o-Benzenedicarboxylic acid, dioctyl ester|Octyl phthalate|Phtalate de dioctyle|PHTHALATE, DIOCTYL|Phthalic acid, dioctyl ester|PHTHALSAEURE-DI-N-OCTYL-ESTER|Polycizer 162|RCRA waste number U107|UNII-8X3RJ0527W|Vinicizer 85|Vinycizer 85|8031-29-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021956
ERPathway2016 ERPathway2016_1194 Di-n-octyl phthalate 117-84-0 DTXSID1021956 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC Di-n-octyl phthalate 117-84-0|Di-n-octyl phthalate|1,2-Benzenedicarboxylic acid dioctyl ester|1,2-Benzenedicarboxylic acid, 1,2-dioctyl ester|1,2-Benzenedicarboxylic acid, dioctyl ester|1,2-Di-n-octyl phthalate|AI3-15071|Benzenedicarboxylic acid di-n-octyl ester|bis(n-octyl) phthalate|BRN 1915994|DI-N-OCTYL PHTHALATE|Di-n-octylphthalate (DNOP)|DI-OCTYL PHTHALATE|Dicapryl phthalate|Dinopol NOP|Dioctyl 1,2-benzenedicarboxylate|Dioctyl o-benzenedicarboxylate|Dioctyl o-phthalate|Dioctylphthalat|Dioktylester kyseliny ftalove|DNOP|EINECS 204-214-7|ftalato de dioctilo|Monocizer W 555|n-Dioctyl phthalate|n-Octyl phthalate|NSC 15318|o-Benzenedicarboxylic acid, dioctyl ester|Octyl phthalate|Phtalate de dioctyle|PHTHALATE, DIOCTYL|Phthalic acid, dioctyl ester|PHTHALSAEURE-DI-N-OCTYL-ESTER|Polycizer 162|RCRA waste number U107|UNII-8X3RJ0527W|Vinicizer 85|Vinycizer 85|8031-29-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021956
ARPathway2016 ARPathway2016_307 Dinoseb 88-85-7 DTXSID3020207 True antagonist shift (Hit/Hit) 4.0 AR Pathway Model, Agonist AC50 14.26895883 uM CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O Dinoseb 88-85-7|Dinoseb|2-(1-Methylpropyl)-4,6-dinitrophenol|2-sec-Butyl-4,6-dinitrophenol|2,4-Dinitro-6-(1-methylpropyl)phenol|2,4-Dinitro-6-sec-butylphenol|4,6-Dinitro-2-(1-methyl-n-propyl)phenol|4,6-Dinitro-2-(1-methyl-propyl)phenol|4,6-Dinitro-2-(2-butyl)phenol|4,6-Dinitro-2-sec-butylphenol|4,6-Dinitro-2-sec.butylfenol|4,6-Dinitro-o-sec-butylphenol|6-(1-Methyl-propyl)-2,4-dinitrofenol|6-(1-Metil-propil)-2,4-dinitro-fenolo|6-sec-Butyl-2,4-dinitrophenol|Basanite|Blaartox|BRN 3211812|Butaphen|Butaphene|Caswell No. 392DD|Chemox P.E.|Desicoil|Dibutox|Dibutox 20CE|Dinitrall|Dinitro-ortho-sec-butyl phenol|Dinoseb acid|Dinosebe|Dow General|Dow General Weed Killer|Dow Selective Weed Killer|EINECS 201-861-7|Elgetol 318|EPA Pesticide Chemical Code 037505|Gebutox|Gebutox; knox-weed|Hel-Fire|Hivertox|Kiloseb|Knox-weed|Liro DNBP|Nitropone C|NSC 202753|Phenol, 2-(1-methylpropyl)-4,6-dinitro-|Phenol, 2-sec-butyl-4,6-dinitro-|Phenotan|Premerge|RCRA waste number P020|Subitex|Super Kabrol|UN 2779|UN 2780|UN 3013|Unicrop DNBP|UNII-YD44ZEM22M|Vertac|152212-20-9|39403-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020207
ARPathway2016 ARPathway2016_307 Dinoseb 88-85-7 DTXSID3020207 True antagonist shift (Hit/Hit) 4.0 AR Pathway Model, Agonist ACC 12.8136663 uM CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O Dinoseb 88-85-7|Dinoseb|2-(1-Methylpropyl)-4,6-dinitrophenol|2-sec-Butyl-4,6-dinitrophenol|2,4-Dinitro-6-(1-methylpropyl)phenol|2,4-Dinitro-6-sec-butylphenol|4,6-Dinitro-2-(1-methyl-n-propyl)phenol|4,6-Dinitro-2-(1-methyl-propyl)phenol|4,6-Dinitro-2-(2-butyl)phenol|4,6-Dinitro-2-sec-butylphenol|4,6-Dinitro-2-sec.butylfenol|4,6-Dinitro-o-sec-butylphenol|6-(1-Methyl-propyl)-2,4-dinitrofenol|6-(1-Metil-propil)-2,4-dinitro-fenolo|6-sec-Butyl-2,4-dinitrophenol|Basanite|Blaartox|BRN 3211812|Butaphen|Butaphene|Caswell No. 392DD|Chemox P.E.|Desicoil|Dibutox|Dibutox 20CE|Dinitrall|Dinitro-ortho-sec-butyl phenol|Dinoseb acid|Dinosebe|Dow General|Dow General Weed Killer|Dow Selective Weed Killer|EINECS 201-861-7|Elgetol 318|EPA Pesticide Chemical Code 037505|Gebutox|Gebutox; knox-weed|Hel-Fire|Hivertox|Kiloseb|Knox-weed|Liro DNBP|Nitropone C|NSC 202753|Phenol, 2-(1-methylpropyl)-4,6-dinitro-|Phenol, 2-sec-butyl-4,6-dinitro-|Phenotan|Premerge|RCRA waste number P020|Subitex|Super Kabrol|UN 2779|UN 2780|UN 3013|Unicrop DNBP|UNII-YD44ZEM22M|Vertac|152212-20-9|39403-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020207
ARPathway2016 ARPathway2016_307 Dinoseb 88-85-7 DTXSID3020207 True antagonist shift (Hit/Hit) 4.0 AR Pathway Model, Antagonist Model Score 0.0426 Unitless CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O Dinoseb 88-85-7|Dinoseb|2-(1-Methylpropyl)-4,6-dinitrophenol|2-sec-Butyl-4,6-dinitrophenol|2,4-Dinitro-6-(1-methylpropyl)phenol|2,4-Dinitro-6-sec-butylphenol|4,6-Dinitro-2-(1-methyl-n-propyl)phenol|4,6-Dinitro-2-(1-methyl-propyl)phenol|4,6-Dinitro-2-(2-butyl)phenol|4,6-Dinitro-2-sec-butylphenol|4,6-Dinitro-2-sec.butylfenol|4,6-Dinitro-o-sec-butylphenol|6-(1-Methyl-propyl)-2,4-dinitrofenol|6-(1-Metil-propil)-2,4-dinitro-fenolo|6-sec-Butyl-2,4-dinitrophenol|Basanite|Blaartox|BRN 3211812|Butaphen|Butaphene|Caswell No. 392DD|Chemox P.E.|Desicoil|Dibutox|Dibutox 20CE|Dinitrall|Dinitro-ortho-sec-butyl phenol|Dinoseb acid|Dinosebe|Dow General|Dow General Weed Killer|Dow Selective Weed Killer|EINECS 201-861-7|Elgetol 318|EPA Pesticide Chemical Code 037505|Gebutox|Gebutox; knox-weed|Hel-Fire|Hivertox|Kiloseb|Knox-weed|Liro DNBP|Nitropone C|NSC 202753|Phenol, 2-(1-methylpropyl)-4,6-dinitro-|Phenol, 2-sec-butyl-4,6-dinitro-|Phenotan|Premerge|RCRA waste number P020|Subitex|Super Kabrol|UN 2779|UN 2780|UN 3013|Unicrop DNBP|UNII-YD44ZEM22M|Vertac|152212-20-9|39403-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020207
ARPathway2016 ARPathway2016_307 Dinoseb 88-85-7 DTXSID3020207 True antagonist shift (Hit/Hit) 4.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O Dinoseb 88-85-7|Dinoseb|2-(1-Methylpropyl)-4,6-dinitrophenol|2-sec-Butyl-4,6-dinitrophenol|2,4-Dinitro-6-(1-methylpropyl)phenol|2,4-Dinitro-6-sec-butylphenol|4,6-Dinitro-2-(1-methyl-n-propyl)phenol|4,6-Dinitro-2-(1-methyl-propyl)phenol|4,6-Dinitro-2-(2-butyl)phenol|4,6-Dinitro-2-sec-butylphenol|4,6-Dinitro-2-sec.butylfenol|4,6-Dinitro-o-sec-butylphenol|6-(1-Methyl-propyl)-2,4-dinitrofenol|6-(1-Metil-propil)-2,4-dinitro-fenolo|6-sec-Butyl-2,4-dinitrophenol|Basanite|Blaartox|BRN 3211812|Butaphen|Butaphene|Caswell No. 392DD|Chemox P.E.|Desicoil|Dibutox|Dibutox 20CE|Dinitrall|Dinitro-ortho-sec-butyl phenol|Dinoseb acid|Dinosebe|Dow General|Dow General Weed Killer|Dow Selective Weed Killer|EINECS 201-861-7|Elgetol 318|EPA Pesticide Chemical Code 037505|Gebutox|Gebutox; knox-weed|Hel-Fire|Hivertox|Kiloseb|Knox-weed|Liro DNBP|Nitropone C|NSC 202753|Phenol, 2-(1-methylpropyl)-4,6-dinitro-|Phenol, 2-sec-butyl-4,6-dinitro-|Phenotan|Premerge|RCRA waste number P020|Subitex|Super Kabrol|UN 2779|UN 2780|UN 3013|Unicrop DNBP|UNII-YD44ZEM22M|Vertac|152212-20-9|39403-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020207
ARPathway2016 ARPathway2016_307 Dinoseb 88-85-7 DTXSID3020207 True antagonist shift (Hit/Hit) 4.0 AR Pathway Model, Agonist Call Active Unitless CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O Dinoseb 88-85-7|Dinoseb|2-(1-Methylpropyl)-4,6-dinitrophenol|2-sec-Butyl-4,6-dinitrophenol|2,4-Dinitro-6-(1-methylpropyl)phenol|2,4-Dinitro-6-sec-butylphenol|4,6-Dinitro-2-(1-methyl-n-propyl)phenol|4,6-Dinitro-2-(1-methyl-propyl)phenol|4,6-Dinitro-2-(2-butyl)phenol|4,6-Dinitro-2-sec-butylphenol|4,6-Dinitro-2-sec.butylfenol|4,6-Dinitro-o-sec-butylphenol|6-(1-Methyl-propyl)-2,4-dinitrofenol|6-(1-Metil-propil)-2,4-dinitro-fenolo|6-sec-Butyl-2,4-dinitrophenol|Basanite|Blaartox|BRN 3211812|Butaphen|Butaphene|Caswell No. 392DD|Chemox P.E.|Desicoil|Dibutox|Dibutox 20CE|Dinitrall|Dinitro-ortho-sec-butyl phenol|Dinoseb acid|Dinosebe|Dow General|Dow General Weed Killer|Dow Selective Weed Killer|EINECS 201-861-7|Elgetol 318|EPA Pesticide Chemical Code 037505|Gebutox|Gebutox; knox-weed|Hel-Fire|Hivertox|Kiloseb|Knox-weed|Liro DNBP|Nitropone C|NSC 202753|Phenol, 2-(1-methylpropyl)-4,6-dinitro-|Phenol, 2-sec-butyl-4,6-dinitro-|Phenotan|Premerge|RCRA waste number P020|Subitex|Super Kabrol|UN 2779|UN 2780|UN 3013|Unicrop DNBP|UNII-YD44ZEM22M|Vertac|152212-20-9|39403-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020207
ARPathway2016 ARPathway2016_307 Dinoseb 88-85-7 DTXSID3020207 True antagonist shift (Hit/Hit) 4.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O Dinoseb 88-85-7|Dinoseb|2-(1-Methylpropyl)-4,6-dinitrophenol|2-sec-Butyl-4,6-dinitrophenol|2,4-Dinitro-6-(1-methylpropyl)phenol|2,4-Dinitro-6-sec-butylphenol|4,6-Dinitro-2-(1-methyl-n-propyl)phenol|4,6-Dinitro-2-(1-methyl-propyl)phenol|4,6-Dinitro-2-(2-butyl)phenol|4,6-Dinitro-2-sec-butylphenol|4,6-Dinitro-2-sec.butylfenol|4,6-Dinitro-o-sec-butylphenol|6-(1-Methyl-propyl)-2,4-dinitrofenol|6-(1-Metil-propil)-2,4-dinitro-fenolo|6-sec-Butyl-2,4-dinitrophenol|Basanite|Blaartox|BRN 3211812|Butaphen|Butaphene|Caswell No. 392DD|Chemox P.E.|Desicoil|Dibutox|Dibutox 20CE|Dinitrall|Dinitro-ortho-sec-butyl phenol|Dinoseb acid|Dinosebe|Dow General|Dow General Weed Killer|Dow Selective Weed Killer|EINECS 201-861-7|Elgetol 318|EPA Pesticide Chemical Code 037505|Gebutox|Gebutox; knox-weed|Hel-Fire|Hivertox|Kiloseb|Knox-weed|Liro DNBP|Nitropone C|NSC 202753|Phenol, 2-(1-methylpropyl)-4,6-dinitro-|Phenol, 2-sec-butyl-4,6-dinitro-|Phenotan|Premerge|RCRA waste number P020|Subitex|Super Kabrol|UN 2779|UN 2780|UN 3013|Unicrop DNBP|UNII-YD44ZEM22M|Vertac|152212-20-9|39403-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020207
ERPathway2016 ERPathway2016_555 Dinoseb 88-85-7 DTXSID3020207 R9 ER Pathway Model, Agonist Model Score 0 Unitless CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O Dinoseb 88-85-7|Dinoseb|2-(1-Methylpropyl)-4,6-dinitrophenol|2-sec-Butyl-4,6-dinitrophenol|2,4-Dinitro-6-(1-methylpropyl)phenol|2,4-Dinitro-6-sec-butylphenol|4,6-Dinitro-2-(1-methyl-n-propyl)phenol|4,6-Dinitro-2-(1-methyl-propyl)phenol|4,6-Dinitro-2-(2-butyl)phenol|4,6-Dinitro-2-sec-butylphenol|4,6-Dinitro-2-sec.butylfenol|4,6-Dinitro-o-sec-butylphenol|6-(1-Methyl-propyl)-2,4-dinitrofenol|6-(1-Metil-propil)-2,4-dinitro-fenolo|6-sec-Butyl-2,4-dinitrophenol|Basanite|Blaartox|BRN 3211812|Butaphen|Butaphene|Caswell No. 392DD|Chemox P.E.|Desicoil|Dibutox|Dibutox 20CE|Dinitrall|Dinitro-ortho-sec-butyl phenol|Dinoseb acid|Dinosebe|Dow General|Dow General Weed Killer|Dow Selective Weed Killer|EINECS 201-861-7|Elgetol 318|EPA Pesticide Chemical Code 037505|Gebutox|Gebutox; knox-weed|Hel-Fire|Hivertox|Kiloseb|Knox-weed|Liro DNBP|Nitropone C|NSC 202753|Phenol, 2-(1-methylpropyl)-4,6-dinitro-|Phenol, 2-sec-butyl-4,6-dinitro-|Phenotan|Premerge|RCRA waste number P020|Subitex|Super Kabrol|UN 2779|UN 2780|UN 3013|Unicrop DNBP|UNII-YD44ZEM22M|Vertac|152212-20-9|39403-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020207
ERPathway2016 ERPathway2016_555 Dinoseb 88-85-7 DTXSID3020207 R9 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O Dinoseb 88-85-7|Dinoseb|2-(1-Methylpropyl)-4,6-dinitrophenol|2-sec-Butyl-4,6-dinitrophenol|2,4-Dinitro-6-(1-methylpropyl)phenol|2,4-Dinitro-6-sec-butylphenol|4,6-Dinitro-2-(1-methyl-n-propyl)phenol|4,6-Dinitro-2-(1-methyl-propyl)phenol|4,6-Dinitro-2-(2-butyl)phenol|4,6-Dinitro-2-sec-butylphenol|4,6-Dinitro-2-sec.butylfenol|4,6-Dinitro-o-sec-butylphenol|6-(1-Methyl-propyl)-2,4-dinitrofenol|6-(1-Metil-propil)-2,4-dinitro-fenolo|6-sec-Butyl-2,4-dinitrophenol|Basanite|Blaartox|BRN 3211812|Butaphen|Butaphene|Caswell No. 392DD|Chemox P.E.|Desicoil|Dibutox|Dibutox 20CE|Dinitrall|Dinitro-ortho-sec-butyl phenol|Dinoseb acid|Dinosebe|Dow General|Dow General Weed Killer|Dow Selective Weed Killer|EINECS 201-861-7|Elgetol 318|EPA Pesticide Chemical Code 037505|Gebutox|Gebutox; knox-weed|Hel-Fire|Hivertox|Kiloseb|Knox-weed|Liro DNBP|Nitropone C|NSC 202753|Phenol, 2-(1-methylpropyl)-4,6-dinitro-|Phenol, 2-sec-butyl-4,6-dinitro-|Phenotan|Premerge|RCRA waste number P020|Subitex|Super Kabrol|UN 2779|UN 2780|UN 3013|Unicrop DNBP|UNII-YD44ZEM22M|Vertac|152212-20-9|39403-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020207
ERPathway2016 ERPathway2016_555 Dinoseb 88-85-7 DTXSID3020207 R9 ER Pathway Model, Agonist Call Inactive Unitless CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O Dinoseb 88-85-7|Dinoseb|2-(1-Methylpropyl)-4,6-dinitrophenol|2-sec-Butyl-4,6-dinitrophenol|2,4-Dinitro-6-(1-methylpropyl)phenol|2,4-Dinitro-6-sec-butylphenol|4,6-Dinitro-2-(1-methyl-n-propyl)phenol|4,6-Dinitro-2-(1-methyl-propyl)phenol|4,6-Dinitro-2-(2-butyl)phenol|4,6-Dinitro-2-sec-butylphenol|4,6-Dinitro-2-sec.butylfenol|4,6-Dinitro-o-sec-butylphenol|6-(1-Methyl-propyl)-2,4-dinitrofenol|6-(1-Metil-propil)-2,4-dinitro-fenolo|6-sec-Butyl-2,4-dinitrophenol|Basanite|Blaartox|BRN 3211812|Butaphen|Butaphene|Caswell No. 392DD|Chemox P.E.|Desicoil|Dibutox|Dibutox 20CE|Dinitrall|Dinitro-ortho-sec-butyl phenol|Dinoseb acid|Dinosebe|Dow General|Dow General Weed Killer|Dow Selective Weed Killer|EINECS 201-861-7|Elgetol 318|EPA Pesticide Chemical Code 037505|Gebutox|Gebutox; knox-weed|Hel-Fire|Hivertox|Kiloseb|Knox-weed|Liro DNBP|Nitropone C|NSC 202753|Phenol, 2-(1-methylpropyl)-4,6-dinitro-|Phenol, 2-sec-butyl-4,6-dinitro-|Phenotan|Premerge|RCRA waste number P020|Subitex|Super Kabrol|UN 2779|UN 2780|UN 3013|Unicrop DNBP|UNII-YD44ZEM22M|Vertac|152212-20-9|39403-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020207
ERPathway2016 ERPathway2016_555 Dinoseb 88-85-7 DTXSID3020207 R9 ER Pathway Model, Antagonist Call Inactive Unitless CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O Dinoseb 88-85-7|Dinoseb|2-(1-Methylpropyl)-4,6-dinitrophenol|2-sec-Butyl-4,6-dinitrophenol|2,4-Dinitro-6-(1-methylpropyl)phenol|2,4-Dinitro-6-sec-butylphenol|4,6-Dinitro-2-(1-methyl-n-propyl)phenol|4,6-Dinitro-2-(1-methyl-propyl)phenol|4,6-Dinitro-2-(2-butyl)phenol|4,6-Dinitro-2-sec-butylphenol|4,6-Dinitro-2-sec.butylfenol|4,6-Dinitro-o-sec-butylphenol|6-(1-Methyl-propyl)-2,4-dinitrofenol|6-(1-Metil-propil)-2,4-dinitro-fenolo|6-sec-Butyl-2,4-dinitrophenol|Basanite|Blaartox|BRN 3211812|Butaphen|Butaphene|Caswell No. 392DD|Chemox P.E.|Desicoil|Dibutox|Dibutox 20CE|Dinitrall|Dinitro-ortho-sec-butyl phenol|Dinoseb acid|Dinosebe|Dow General|Dow General Weed Killer|Dow Selective Weed Killer|EINECS 201-861-7|Elgetol 318|EPA Pesticide Chemical Code 037505|Gebutox|Gebutox; knox-weed|Hel-Fire|Hivertox|Kiloseb|Knox-weed|Liro DNBP|Nitropone C|NSC 202753|Phenol, 2-(1-methylpropyl)-4,6-dinitro-|Phenol, 2-sec-butyl-4,6-dinitro-|Phenotan|Premerge|RCRA waste number P020|Subitex|Super Kabrol|UN 2779|UN 2780|UN 3013|Unicrop DNBP|UNII-YD44ZEM22M|Vertac|152212-20-9|39403-80-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020207
ARPathway2016 ARPathway2016_1485 DINP branched 68515-48-0 DTXSID5028665 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless DINP branched 68515-48-0|DINP branched|1,2-Benzenedicarboxylic acid di(C=8-10) branched alkyl esters, (C=9)-rich|1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9 rich|1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9-rich|1,2-Benzoldicarbonsaure, Di-C8-10-verzweigte Alkylester, C9-reich|acide benzenedicarboxylique-1,2, esters de dialkyles ramifies en C8-10, riches en C9|acido 1,2-bencenodicarboxilico, di-C8-10-alquil esteres ramificados, ricos en C9|Di(C8-10, C9 rich) branched alkyl phthalates|Di(isononyl) phthalate branched|EINECS 271-090-9|ESTERS, 1,2-BENZENEDICARBOXYLIC ACID DI-C8-10 BRANCHED ALKYL, C9-RICH|Phtalates de dialkyles ramifies en C8-10, riches en C9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5028665
ARPathway2016 ARPathway2016_1485 DINP branched 68515-48-0 DTXSID5028665 0.0 AR Pathway Model, Agonist Model Score 0 Unitless DINP branched 68515-48-0|DINP branched|1,2-Benzenedicarboxylic acid di(C=8-10) branched alkyl esters, (C=9)-rich|1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9 rich|1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9-rich|1,2-Benzoldicarbonsaure, Di-C8-10-verzweigte Alkylester, C9-reich|acide benzenedicarboxylique-1,2, esters de dialkyles ramifies en C8-10, riches en C9|acido 1,2-bencenodicarboxilico, di-C8-10-alquil esteres ramificados, ricos en C9|Di(C8-10, C9 rich) branched alkyl phthalates|Di(isononyl) phthalate branched|EINECS 271-090-9|ESTERS, 1,2-BENZENEDICARBOXYLIC ACID DI-C8-10 BRANCHED ALKYL, C9-RICH|Phtalates de dialkyles ramifies en C8-10, riches en C9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5028665
ARPathway2016 ARPathway2016_1485 DINP branched 68515-48-0 DTXSID5028665 0.0 AR Pathway Model, Agonist Call Inactive Unitless DINP branched 68515-48-0|DINP branched|1,2-Benzenedicarboxylic acid di(C=8-10) branched alkyl esters, (C=9)-rich|1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9 rich|1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9-rich|1,2-Benzoldicarbonsaure, Di-C8-10-verzweigte Alkylester, C9-reich|acide benzenedicarboxylique-1,2, esters de dialkyles ramifies en C8-10, riches en C9|acido 1,2-bencenodicarboxilico, di-C8-10-alquil esteres ramificados, ricos en C9|Di(C8-10, C9 rich) branched alkyl phthalates|Di(isononyl) phthalate branched|EINECS 271-090-9|ESTERS, 1,2-BENZENEDICARBOXYLIC ACID DI-C8-10 BRANCHED ALKYL, C9-RICH|Phtalates de dialkyles ramifies en C8-10, riches en C9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5028665
ARPathway2016 ARPathway2016_1485 DINP branched 68515-48-0 DTXSID5028665 0.0 AR Pathway Model, Antagonist Call Inactive Unitless DINP branched 68515-48-0|DINP branched|1,2-Benzenedicarboxylic acid di(C=8-10) branched alkyl esters, (C=9)-rich|1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9 rich|1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9-rich|1,2-Benzoldicarbonsaure, Di-C8-10-verzweigte Alkylester, C9-reich|acide benzenedicarboxylique-1,2, esters de dialkyles ramifies en C8-10, riches en C9|acido 1,2-bencenodicarboxilico, di-C8-10-alquil esteres ramificados, ricos en C9|Di(C8-10, C9 rich) branched alkyl phthalates|Di(isononyl) phthalate branched|EINECS 271-090-9|ESTERS, 1,2-BENZENEDICARBOXYLIC ACID DI-C8-10 BRANCHED ALKYL, C9-RICH|Phtalates de dialkyles ramifies en C8-10, riches en C9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5028665
ERPathway2016 ERPathway2016_1611 DINP branched 68515-48-0 DTXSID5028665 ER Pathway Model, Agonist Model Score 0 Unitless DINP branched 68515-48-0|DINP branched|1,2-Benzenedicarboxylic acid di(C=8-10) branched alkyl esters, (C=9)-rich|1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9 rich|1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9-rich|1,2-Benzoldicarbonsaure, Di-C8-10-verzweigte Alkylester, C9-reich|acide benzenedicarboxylique-1,2, esters de dialkyles ramifies en C8-10, riches en C9|acido 1,2-bencenodicarboxilico, di-C8-10-alquil esteres ramificados, ricos en C9|Di(C8-10, C9 rich) branched alkyl phthalates|Di(isononyl) phthalate branched|EINECS 271-090-9|ESTERS, 1,2-BENZENEDICARBOXYLIC ACID DI-C8-10 BRANCHED ALKYL, C9-RICH|Phtalates de dialkyles ramifies en C8-10, riches en C9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5028665
ERPathway2016 ERPathway2016_1611 DINP branched 68515-48-0 DTXSID5028665 ER Pathway Model, Antagonist Model Score 0 Unitless DINP branched 68515-48-0|DINP branched|1,2-Benzenedicarboxylic acid di(C=8-10) branched alkyl esters, (C=9)-rich|1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9 rich|1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9-rich|1,2-Benzoldicarbonsaure, Di-C8-10-verzweigte Alkylester, C9-reich|acide benzenedicarboxylique-1,2, esters de dialkyles ramifies en C8-10, riches en C9|acido 1,2-bencenodicarboxilico, di-C8-10-alquil esteres ramificados, ricos en C9|Di(C8-10, C9 rich) branched alkyl phthalates|Di(isononyl) phthalate branched|EINECS 271-090-9|ESTERS, 1,2-BENZENEDICARBOXYLIC ACID DI-C8-10 BRANCHED ALKYL, C9-RICH|Phtalates de dialkyles ramifies en C8-10, riches en C9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5028665
ERPathway2016 ERPathway2016_1611 DINP branched 68515-48-0 DTXSID5028665 ER Pathway Model, Agonist Call Inactive Unitless DINP branched 68515-48-0|DINP branched|1,2-Benzenedicarboxylic acid di(C=8-10) branched alkyl esters, (C=9)-rich|1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9 rich|1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9-rich|1,2-Benzoldicarbonsaure, Di-C8-10-verzweigte Alkylester, C9-reich|acide benzenedicarboxylique-1,2, esters de dialkyles ramifies en C8-10, riches en C9|acido 1,2-bencenodicarboxilico, di-C8-10-alquil esteres ramificados, ricos en C9|Di(C8-10, C9 rich) branched alkyl phthalates|Di(isononyl) phthalate branched|EINECS 271-090-9|ESTERS, 1,2-BENZENEDICARBOXYLIC ACID DI-C8-10 BRANCHED ALKYL, C9-RICH|Phtalates de dialkyles ramifies en C8-10, riches en C9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5028665
ERPathway2016 ERPathway2016_1611 DINP branched 68515-48-0 DTXSID5028665 ER Pathway Model, Antagonist Call Inactive Unitless DINP branched 68515-48-0|DINP branched|1,2-Benzenedicarboxylic acid di(C=8-10) branched alkyl esters, (C=9)-rich|1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9 rich|1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9-rich|1,2-Benzoldicarbonsaure, Di-C8-10-verzweigte Alkylester, C9-reich|acide benzenedicarboxylique-1,2, esters de dialkyles ramifies en C8-10, riches en C9|acido 1,2-bencenodicarboxilico, di-C8-10-alquil esteres ramificados, ricos en C9|Di(C8-10, C9 rich) branched alkyl phthalates|Di(isononyl) phthalate branched|EINECS 271-090-9|ESTERS, 1,2-BENZENEDICARBOXYLIC ACID DI-C8-10 BRANCHED ALKYL, C9-RICH|Phtalates de dialkyles ramifies en C8-10, riches en C9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5028665
ARPathway2016 ARPathway2016_1035 Dioctyl sebacate 2432-87-3 DTXSID0047537 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC Dioctyl sebacate 2432-87-3|Dioctyl sebacate|Decanedioic acid, 1,10-dioctyl ester|Decanedioic acid, dioctyl ester|Di-n-Octyl sebacate|Dioctyl decanedioate|Dioctylsebacat|EINECS 219-411-3|NSC 16205|sebacate de dioctyle|sebacato de dioctilo|SEBACIC ACID DI-N-OCTYL ESTER|Sebacic acid, dioctyl ester|SEBACINSAEURE-DIOCTYLESTER|UNII-CG4EO6A0O2|Witamol 500 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047537
ARPathway2016 ARPathway2016_1035 Dioctyl sebacate 2432-87-3 DTXSID0047537 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC Dioctyl sebacate 2432-87-3|Dioctyl sebacate|Decanedioic acid, 1,10-dioctyl ester|Decanedioic acid, dioctyl ester|Di-n-Octyl sebacate|Dioctyl decanedioate|Dioctylsebacat|EINECS 219-411-3|NSC 16205|sebacate de dioctyle|sebacato de dioctilo|SEBACIC ACID DI-N-OCTYL ESTER|Sebacic acid, dioctyl ester|SEBACINSAEURE-DIOCTYLESTER|UNII-CG4EO6A0O2|Witamol 500 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047537
ARPathway2016 ARPathway2016_1035 Dioctyl sebacate 2432-87-3 DTXSID0047537 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC Dioctyl sebacate 2432-87-3|Dioctyl sebacate|Decanedioic acid, 1,10-dioctyl ester|Decanedioic acid, dioctyl ester|Di-n-Octyl sebacate|Dioctyl decanedioate|Dioctylsebacat|EINECS 219-411-3|NSC 16205|sebacate de dioctyle|sebacato de dioctilo|SEBACIC ACID DI-N-OCTYL ESTER|Sebacic acid, dioctyl ester|SEBACINSAEURE-DIOCTYLESTER|UNII-CG4EO6A0O2|Witamol 500 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047537
ARPathway2016 ARPathway2016_1035 Dioctyl sebacate 2432-87-3 DTXSID0047537 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC Dioctyl sebacate 2432-87-3|Dioctyl sebacate|Decanedioic acid, 1,10-dioctyl ester|Decanedioic acid, dioctyl ester|Di-n-Octyl sebacate|Dioctyl decanedioate|Dioctylsebacat|EINECS 219-411-3|NSC 16205|sebacate de dioctyle|sebacato de dioctilo|SEBACIC ACID DI-N-OCTYL ESTER|Sebacic acid, dioctyl ester|SEBACINSAEURE-DIOCTYLESTER|UNII-CG4EO6A0O2|Witamol 500 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047537
ERPathway2016 ERPathway2016_1395 Dioctyl sebacate 2432-87-3 DTXSID0047537 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC Dioctyl sebacate 2432-87-3|Dioctyl sebacate|Decanedioic acid, 1,10-dioctyl ester|Decanedioic acid, dioctyl ester|Di-n-Octyl sebacate|Dioctyl decanedioate|Dioctylsebacat|EINECS 219-411-3|NSC 16205|sebacate de dioctyle|sebacato de dioctilo|SEBACIC ACID DI-N-OCTYL ESTER|Sebacic acid, dioctyl ester|SEBACINSAEURE-DIOCTYLESTER|UNII-CG4EO6A0O2|Witamol 500 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047537
ERPathway2016 ERPathway2016_1395 Dioctyl sebacate 2432-87-3 DTXSID0047537 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC Dioctyl sebacate 2432-87-3|Dioctyl sebacate|Decanedioic acid, 1,10-dioctyl ester|Decanedioic acid, dioctyl ester|Di-n-Octyl sebacate|Dioctyl decanedioate|Dioctylsebacat|EINECS 219-411-3|NSC 16205|sebacate de dioctyle|sebacato de dioctilo|SEBACIC ACID DI-N-OCTYL ESTER|Sebacic acid, dioctyl ester|SEBACINSAEURE-DIOCTYLESTER|UNII-CG4EO6A0O2|Witamol 500 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047537
ERPathway2016 ERPathway2016_1395 Dioctyl sebacate 2432-87-3 DTXSID0047537 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC Dioctyl sebacate 2432-87-3|Dioctyl sebacate|Decanedioic acid, 1,10-dioctyl ester|Decanedioic acid, dioctyl ester|Di-n-Octyl sebacate|Dioctyl decanedioate|Dioctylsebacat|EINECS 219-411-3|NSC 16205|sebacate de dioctyle|sebacato de dioctilo|SEBACIC ACID DI-N-OCTYL ESTER|Sebacic acid, dioctyl ester|SEBACINSAEURE-DIOCTYLESTER|UNII-CG4EO6A0O2|Witamol 500 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047537
ERPathway2016 ERPathway2016_1395 Dioctyl sebacate 2432-87-3 DTXSID0047537 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC Dioctyl sebacate 2432-87-3|Dioctyl sebacate|Decanedioic acid, 1,10-dioctyl ester|Decanedioic acid, dioctyl ester|Di-n-Octyl sebacate|Dioctyl decanedioate|Dioctylsebacat|EINECS 219-411-3|NSC 16205|sebacate de dioctyle|sebacato de dioctilo|SEBACIC ACID DI-N-OCTYL ESTER|Sebacic acid, dioctyl ester|SEBACINSAEURE-DIOCTYLESTER|UNII-CG4EO6A0O2|Witamol 500 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047537
ARPathway2016 ARPathway2016_775 Dipentyl phthalate 131-18-0 DTXSID5031131 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCC Dipentyl phthalate 131-18-0|Dipentyl phthalate|1,2-Benzenedicarboxylic acid dipentyl ester|1,2-Benzenedicarboxylic acid, 1,2-dipentyl ester|4-09-00-03178|AI3-00363|Amyl phthalate|BRN 1987323|di-n-Amyl phthalate|Di-n-pentyl phthalate|Di-n-pentylphthalate|Diamyl phthalate|Dipentyl 1,2-benzenedicarboxylate|DPNP|DPP|EINECS 205-017-9|NSC 4720|Phthalic acid diamyl ester|Phthalic acid dipentyl ester|Phthalic acid, diamyl ester|UNII-5DC92K224X https://comptox.epa.gov/dashboard/chemical/details/DTXSID5031131
ARPathway2016 ARPathway2016_775 Dipentyl phthalate 131-18-0 DTXSID5031131 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCC Dipentyl phthalate 131-18-0|Dipentyl phthalate|1,2-Benzenedicarboxylic acid dipentyl ester|1,2-Benzenedicarboxylic acid, 1,2-dipentyl ester|4-09-00-03178|AI3-00363|Amyl phthalate|BRN 1987323|di-n-Amyl phthalate|Di-n-pentyl phthalate|Di-n-pentylphthalate|Diamyl phthalate|Dipentyl 1,2-benzenedicarboxylate|DPNP|DPP|EINECS 205-017-9|NSC 4720|Phthalic acid diamyl ester|Phthalic acid dipentyl ester|Phthalic acid, diamyl ester|UNII-5DC92K224X https://comptox.epa.gov/dashboard/chemical/details/DTXSID5031131
ARPathway2016 ARPathway2016_775 Dipentyl phthalate 131-18-0 DTXSID5031131 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCC Dipentyl phthalate 131-18-0|Dipentyl phthalate|1,2-Benzenedicarboxylic acid dipentyl ester|1,2-Benzenedicarboxylic acid, 1,2-dipentyl ester|4-09-00-03178|AI3-00363|Amyl phthalate|BRN 1987323|di-n-Amyl phthalate|Di-n-pentyl phthalate|Di-n-pentylphthalate|Diamyl phthalate|Dipentyl 1,2-benzenedicarboxylate|DPNP|DPP|EINECS 205-017-9|NSC 4720|Phthalic acid diamyl ester|Phthalic acid dipentyl ester|Phthalic acid, diamyl ester|UNII-5DC92K224X https://comptox.epa.gov/dashboard/chemical/details/DTXSID5031131
ARPathway2016 ARPathway2016_775 Dipentyl phthalate 131-18-0 DTXSID5031131 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCC Dipentyl phthalate 131-18-0|Dipentyl phthalate|1,2-Benzenedicarboxylic acid dipentyl ester|1,2-Benzenedicarboxylic acid, 1,2-dipentyl ester|4-09-00-03178|AI3-00363|Amyl phthalate|BRN 1987323|di-n-Amyl phthalate|Di-n-pentyl phthalate|Di-n-pentylphthalate|Diamyl phthalate|Dipentyl 1,2-benzenedicarboxylate|DPNP|DPP|EINECS 205-017-9|NSC 4720|Phthalic acid diamyl ester|Phthalic acid dipentyl ester|Phthalic acid, diamyl ester|UNII-5DC92K224X https://comptox.epa.gov/dashboard/chemical/details/DTXSID5031131
ERPathway2016 ERPathway2016_18 Dipentyl phthalate 131-18-0 DTXSID5031131 ER Pathway Model, Agonist AC50 33.0910538245115 uM CCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCC Dipentyl phthalate 131-18-0|Dipentyl phthalate|1,2-Benzenedicarboxylic acid dipentyl ester|1,2-Benzenedicarboxylic acid, 1,2-dipentyl ester|4-09-00-03178|AI3-00363|Amyl phthalate|BRN 1987323|di-n-Amyl phthalate|Di-n-pentyl phthalate|Di-n-pentylphthalate|Diamyl phthalate|Dipentyl 1,2-benzenedicarboxylate|DPNP|DPP|EINECS 205-017-9|NSC 4720|Phthalic acid diamyl ester|Phthalic acid dipentyl ester|Phthalic acid, diamyl ester|UNII-5DC92K224X https://comptox.epa.gov/dashboard/chemical/details/DTXSID5031131
ERPathway2016 ERPathway2016_18 Dipentyl phthalate 131-18-0 DTXSID5031131 ER Pathway Model, Agonist ACC 17.6619125563311 uM CCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCC Dipentyl phthalate 131-18-0|Dipentyl phthalate|1,2-Benzenedicarboxylic acid dipentyl ester|1,2-Benzenedicarboxylic acid, 1,2-dipentyl ester|4-09-00-03178|AI3-00363|Amyl phthalate|BRN 1987323|di-n-Amyl phthalate|Di-n-pentyl phthalate|Di-n-pentylphthalate|Diamyl phthalate|Dipentyl 1,2-benzenedicarboxylate|DPNP|DPP|EINECS 205-017-9|NSC 4720|Phthalic acid diamyl ester|Phthalic acid dipentyl ester|Phthalic acid, diamyl ester|UNII-5DC92K224X https://comptox.epa.gov/dashboard/chemical/details/DTXSID5031131
ERPathway2016 ERPathway2016_18 Dipentyl phthalate 131-18-0 DTXSID5031131 ER Pathway Model, Agonist Model Score 0.0125 Unitless CCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCC Dipentyl phthalate 131-18-0|Dipentyl phthalate|1,2-Benzenedicarboxylic acid dipentyl ester|1,2-Benzenedicarboxylic acid, 1,2-dipentyl ester|4-09-00-03178|AI3-00363|Amyl phthalate|BRN 1987323|di-n-Amyl phthalate|Di-n-pentyl phthalate|Di-n-pentylphthalate|Diamyl phthalate|Dipentyl 1,2-benzenedicarboxylate|DPNP|DPP|EINECS 205-017-9|NSC 4720|Phthalic acid diamyl ester|Phthalic acid dipentyl ester|Phthalic acid, diamyl ester|UNII-5DC92K224X https://comptox.epa.gov/dashboard/chemical/details/DTXSID5031131
ERPathway2016 ERPathway2016_18 Dipentyl phthalate 131-18-0 DTXSID5031131 ER Pathway Model, Antagonist Model Score 0.0376 Unitless CCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCC Dipentyl phthalate 131-18-0|Dipentyl phthalate|1,2-Benzenedicarboxylic acid dipentyl ester|1,2-Benzenedicarboxylic acid, 1,2-dipentyl ester|4-09-00-03178|AI3-00363|Amyl phthalate|BRN 1987323|di-n-Amyl phthalate|Di-n-pentyl phthalate|Di-n-pentylphthalate|Diamyl phthalate|Dipentyl 1,2-benzenedicarboxylate|DPNP|DPP|EINECS 205-017-9|NSC 4720|Phthalic acid diamyl ester|Phthalic acid dipentyl ester|Phthalic acid, diamyl ester|UNII-5DC92K224X https://comptox.epa.gov/dashboard/chemical/details/DTXSID5031131
ERPathway2016 ERPathway2016_18 Dipentyl phthalate 131-18-0 DTXSID5031131 ER Pathway Model, Agonist Call Active Unitless CCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCC Dipentyl phthalate 131-18-0|Dipentyl phthalate|1,2-Benzenedicarboxylic acid dipentyl ester|1,2-Benzenedicarboxylic acid, 1,2-dipentyl ester|4-09-00-03178|AI3-00363|Amyl phthalate|BRN 1987323|di-n-Amyl phthalate|Di-n-pentyl phthalate|Di-n-pentylphthalate|Diamyl phthalate|Dipentyl 1,2-benzenedicarboxylate|DPNP|DPP|EINECS 205-017-9|NSC 4720|Phthalic acid diamyl ester|Phthalic acid dipentyl ester|Phthalic acid, diamyl ester|UNII-5DC92K224X https://comptox.epa.gov/dashboard/chemical/details/DTXSID5031131
ERPathway2016 ERPathway2016_18 Dipentyl phthalate 131-18-0 DTXSID5031131 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCC Dipentyl phthalate 131-18-0|Dipentyl phthalate|1,2-Benzenedicarboxylic acid dipentyl ester|1,2-Benzenedicarboxylic acid, 1,2-dipentyl ester|4-09-00-03178|AI3-00363|Amyl phthalate|BRN 1987323|di-n-Amyl phthalate|Di-n-pentyl phthalate|Di-n-pentylphthalate|Diamyl phthalate|Dipentyl 1,2-benzenedicarboxylate|DPNP|DPP|EINECS 205-017-9|NSC 4720|Phthalic acid diamyl ester|Phthalic acid dipentyl ester|Phthalic acid, diamyl ester|UNII-5DC92K224X https://comptox.epa.gov/dashboard/chemical/details/DTXSID5031131
ARPathway2016 ARPathway2016_1768 Diphenamid 957-51-7 DTXSID8024072 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 Diphenamid 957-51-7|Diphenamid|2,2-Diphenyl-N,N-dimethylacetamide|BRN 2052009|Caswell No. 395|Difenamid|Difenamide|Diherbid|Dimethylamid kyseliny difenyloctove|EINECS 213-482-4|EPA Pesticide Chemical Code 036601|Lilly 34,314|N,N-Dimethyl-alpha-phenylbenzeneacetamide|N,N-Dimethyldiphenylacetamide|N,N,Dimethyl-2,2-diphenylacetamide|Trefmid|UNII-6Z3R6EGA2B|12697-94-8|73413-06-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024072
ARPathway2016 ARPathway2016_1768 Diphenamid 957-51-7 DTXSID8024072 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 Diphenamid 957-51-7|Diphenamid|2,2-Diphenyl-N,N-dimethylacetamide|BRN 2052009|Caswell No. 395|Difenamid|Difenamide|Diherbid|Dimethylamid kyseliny difenyloctove|EINECS 213-482-4|EPA Pesticide Chemical Code 036601|Lilly 34,314|N,N-Dimethyl-alpha-phenylbenzeneacetamide|N,N-Dimethyldiphenylacetamide|N,N,Dimethyl-2,2-diphenylacetamide|Trefmid|UNII-6Z3R6EGA2B|12697-94-8|73413-06-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024072
ARPathway2016 ARPathway2016_1768 Diphenamid 957-51-7 DTXSID8024072 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN(C)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 Diphenamid 957-51-7|Diphenamid|2,2-Diphenyl-N,N-dimethylacetamide|BRN 2052009|Caswell No. 395|Difenamid|Difenamide|Diherbid|Dimethylamid kyseliny difenyloctove|EINECS 213-482-4|EPA Pesticide Chemical Code 036601|Lilly 34,314|N,N-Dimethyl-alpha-phenylbenzeneacetamide|N,N-Dimethyldiphenylacetamide|N,N,Dimethyl-2,2-diphenylacetamide|Trefmid|UNII-6Z3R6EGA2B|12697-94-8|73413-06-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024072
ARPathway2016 ARPathway2016_1768 Diphenamid 957-51-7 DTXSID8024072 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 Diphenamid 957-51-7|Diphenamid|2,2-Diphenyl-N,N-dimethylacetamide|BRN 2052009|Caswell No. 395|Difenamid|Difenamide|Diherbid|Dimethylamid kyseliny difenyloctove|EINECS 213-482-4|EPA Pesticide Chemical Code 036601|Lilly 34,314|N,N-Dimethyl-alpha-phenylbenzeneacetamide|N,N-Dimethyldiphenylacetamide|N,N,Dimethyl-2,2-diphenylacetamide|Trefmid|UNII-6Z3R6EGA2B|12697-94-8|73413-06-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024072
ERPathway2016 ERPathway2016_937 Diphenamid 957-51-7 DTXSID8024072 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 Diphenamid 957-51-7|Diphenamid|2,2-Diphenyl-N,N-dimethylacetamide|BRN 2052009|Caswell No. 395|Difenamid|Difenamide|Diherbid|Dimethylamid kyseliny difenyloctove|EINECS 213-482-4|EPA Pesticide Chemical Code 036601|Lilly 34,314|N,N-Dimethyl-alpha-phenylbenzeneacetamide|N,N-Dimethyldiphenylacetamide|N,N,Dimethyl-2,2-diphenylacetamide|Trefmid|UNII-6Z3R6EGA2B|12697-94-8|73413-06-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024072
ERPathway2016 ERPathway2016_937 Diphenamid 957-51-7 DTXSID8024072 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 Diphenamid 957-51-7|Diphenamid|2,2-Diphenyl-N,N-dimethylacetamide|BRN 2052009|Caswell No. 395|Difenamid|Difenamide|Diherbid|Dimethylamid kyseliny difenyloctove|EINECS 213-482-4|EPA Pesticide Chemical Code 036601|Lilly 34,314|N,N-Dimethyl-alpha-phenylbenzeneacetamide|N,N-Dimethyldiphenylacetamide|N,N,Dimethyl-2,2-diphenylacetamide|Trefmid|UNII-6Z3R6EGA2B|12697-94-8|73413-06-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024072
ERPathway2016 ERPathway2016_937 Diphenamid 957-51-7 DTXSID8024072 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 Diphenamid 957-51-7|Diphenamid|2,2-Diphenyl-N,N-dimethylacetamide|BRN 2052009|Caswell No. 395|Difenamid|Difenamide|Diherbid|Dimethylamid kyseliny difenyloctove|EINECS 213-482-4|EPA Pesticide Chemical Code 036601|Lilly 34,314|N,N-Dimethyl-alpha-phenylbenzeneacetamide|N,N-Dimethyldiphenylacetamide|N,N,Dimethyl-2,2-diphenylacetamide|Trefmid|UNII-6Z3R6EGA2B|12697-94-8|73413-06-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024072
ERPathway2016 ERPathway2016_937 Diphenamid 957-51-7 DTXSID8024072 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 Diphenamid 957-51-7|Diphenamid|2,2-Diphenyl-N,N-dimethylacetamide|BRN 2052009|Caswell No. 395|Difenamid|Difenamide|Diherbid|Dimethylamid kyseliny difenyloctove|EINECS 213-482-4|EPA Pesticide Chemical Code 036601|Lilly 34,314|N,N-Dimethyl-alpha-phenylbenzeneacetamide|N,N-Dimethyldiphenylacetamide|N,N,Dimethyl-2,2-diphenylacetamide|Trefmid|UNII-6Z3R6EGA2B|12697-94-8|73413-06-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024072
ARPathway2016 ARPathway2016_864 Diphenhydramine hydrochloride 147-24-0 DTXSID4020537 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 Diphenhydramine hydrochloride 147-24-0|Diphenhydramine hydrochloride|2-(Benzhydryloxy)-N,N-dimethylethylamine hydrochloride|2-(diphenylmethoxy)-N,N-dimethylethanamine hydrochloride|2-(Diphenylmethoxy)-N,N-dimethylethylamine hydrochloride|2-Diphenylmethoxy-N,N-dimethylethylamine hydrochloride|Alledryl|Allergan|Allergina|Allergival|alpha-hydroxydiphenylmethane-beta-dimethylaminoethyl ether hydrochloride|Ambenyl|Amidryl|Antitussive|Bagodryl|Banophen|Bena-Fedrin|Benadril hydrochloride|Benadryl|Benadryl preservative free|Bendylate|Benison|Benocten|Benodine|Benylin|Benzantin|Benzantin hydrochloride|Benzhydramine hydrochloride|Benzhydrol b-dimethylaminoethyl ether hydrochloride|Benzhydrol, beta-dimethylaminoethyl ether hydrochloride|beta-Dimethylaminoethyl benzhydryl ether hydrochloride|Carphenamine|Carphenex|Cathejell|Denydryl|Dibenil|Dibondrin|difenhidramina, clorhidrato|Difenhydramine hydrochloride|Dimedrol|Dimedrol hydrochloride|Dimedrolum|Diphamine|Diphantine|diphenhydramine HCl|Diphenhydramine hydrochloride preservative free|diphenhydramine, chlorhydrate|Diphenhydraminhydrochl https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020537 https://doi.org/10.22427/NTP-DATA-DTXSID4020537
ARPathway2016 ARPathway2016_864 Diphenhydramine hydrochloride 147-24-0 DTXSID4020537 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cl.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 Diphenhydramine hydrochloride 147-24-0|Diphenhydramine hydrochloride|2-(Benzhydryloxy)-N,N-dimethylethylamine hydrochloride|2-(diphenylmethoxy)-N,N-dimethylethanamine hydrochloride|2-(Diphenylmethoxy)-N,N-dimethylethylamine hydrochloride|2-Diphenylmethoxy-N,N-dimethylethylamine hydrochloride|Alledryl|Allergan|Allergina|Allergival|alpha-hydroxydiphenylmethane-beta-dimethylaminoethyl ether hydrochloride|Ambenyl|Amidryl|Antitussive|Bagodryl|Banophen|Bena-Fedrin|Benadril hydrochloride|Benadryl|Benadryl preservative free|Bendylate|Benison|Benocten|Benodine|Benylin|Benzantin|Benzantin hydrochloride|Benzhydramine hydrochloride|Benzhydrol b-dimethylaminoethyl ether hydrochloride|Benzhydrol, beta-dimethylaminoethyl ether hydrochloride|beta-Dimethylaminoethyl benzhydryl ether hydrochloride|Carphenamine|Carphenex|Cathejell|Denydryl|Dibenil|Dibondrin|difenhidramina, clorhidrato|Difenhydramine hydrochloride|Dimedrol|Dimedrol hydrochloride|Dimedrolum|Diphamine|Diphantine|diphenhydramine HCl|Diphenhydramine hydrochloride preservative free|diphenhydramine, chlorhydrate|Diphenhydraminhydrochl https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020537 https://doi.org/10.22427/NTP-DATA-DTXSID4020537
ARPathway2016 ARPathway2016_864 Diphenhydramine hydrochloride 147-24-0 DTXSID4020537 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cl.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 Diphenhydramine hydrochloride 147-24-0|Diphenhydramine hydrochloride|2-(Benzhydryloxy)-N,N-dimethylethylamine hydrochloride|2-(diphenylmethoxy)-N,N-dimethylethanamine hydrochloride|2-(Diphenylmethoxy)-N,N-dimethylethylamine hydrochloride|2-Diphenylmethoxy-N,N-dimethylethylamine hydrochloride|Alledryl|Allergan|Allergina|Allergival|alpha-hydroxydiphenylmethane-beta-dimethylaminoethyl ether hydrochloride|Ambenyl|Amidryl|Antitussive|Bagodryl|Banophen|Bena-Fedrin|Benadril hydrochloride|Benadryl|Benadryl preservative free|Bendylate|Benison|Benocten|Benodine|Benylin|Benzantin|Benzantin hydrochloride|Benzhydramine hydrochloride|Benzhydrol b-dimethylaminoethyl ether hydrochloride|Benzhydrol, beta-dimethylaminoethyl ether hydrochloride|beta-Dimethylaminoethyl benzhydryl ether hydrochloride|Carphenamine|Carphenex|Cathejell|Denydryl|Dibenil|Dibondrin|difenhidramina, clorhidrato|Difenhydramine hydrochloride|Dimedrol|Dimedrol hydrochloride|Dimedrolum|Diphamine|Diphantine|diphenhydramine HCl|Diphenhydramine hydrochloride preservative free|diphenhydramine, chlorhydrate|Diphenhydraminhydrochl https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020537 https://doi.org/10.22427/NTP-DATA-DTXSID4020537
ARPathway2016 ARPathway2016_864 Diphenhydramine hydrochloride 147-24-0 DTXSID4020537 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cl.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 Diphenhydramine hydrochloride 147-24-0|Diphenhydramine hydrochloride|2-(Benzhydryloxy)-N,N-dimethylethylamine hydrochloride|2-(diphenylmethoxy)-N,N-dimethylethanamine hydrochloride|2-(Diphenylmethoxy)-N,N-dimethylethylamine hydrochloride|2-Diphenylmethoxy-N,N-dimethylethylamine hydrochloride|Alledryl|Allergan|Allergina|Allergival|alpha-hydroxydiphenylmethane-beta-dimethylaminoethyl ether hydrochloride|Ambenyl|Amidryl|Antitussive|Bagodryl|Banophen|Bena-Fedrin|Benadril hydrochloride|Benadryl|Benadryl preservative free|Bendylate|Benison|Benocten|Benodine|Benylin|Benzantin|Benzantin hydrochloride|Benzhydramine hydrochloride|Benzhydrol b-dimethylaminoethyl ether hydrochloride|Benzhydrol, beta-dimethylaminoethyl ether hydrochloride|beta-Dimethylaminoethyl benzhydryl ether hydrochloride|Carphenamine|Carphenex|Cathejell|Denydryl|Dibenil|Dibondrin|difenhidramina, clorhidrato|Difenhydramine hydrochloride|Dimedrol|Dimedrol hydrochloride|Dimedrolum|Diphamine|Diphantine|diphenhydramine HCl|Diphenhydramine hydrochloride preservative free|diphenhydramine, chlorhydrate|Diphenhydraminhydrochl https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020537 https://doi.org/10.22427/NTP-DATA-DTXSID4020537
ERPathway2016 ERPathway2016_1311 Diphenhydramine hydrochloride 147-24-0 DTXSID4020537 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 Diphenhydramine hydrochloride 147-24-0|Diphenhydramine hydrochloride|2-(Benzhydryloxy)-N,N-dimethylethylamine hydrochloride|2-(diphenylmethoxy)-N,N-dimethylethanamine hydrochloride|2-(Diphenylmethoxy)-N,N-dimethylethylamine hydrochloride|2-Diphenylmethoxy-N,N-dimethylethylamine hydrochloride|Alledryl|Allergan|Allergina|Allergival|alpha-hydroxydiphenylmethane-beta-dimethylaminoethyl ether hydrochloride|Ambenyl|Amidryl|Antitussive|Bagodryl|Banophen|Bena-Fedrin|Benadril hydrochloride|Benadryl|Benadryl preservative free|Bendylate|Benison|Benocten|Benodine|Benylin|Benzantin|Benzantin hydrochloride|Benzhydramine hydrochloride|Benzhydrol b-dimethylaminoethyl ether hydrochloride|Benzhydrol, beta-dimethylaminoethyl ether hydrochloride|beta-Dimethylaminoethyl benzhydryl ether hydrochloride|Carphenamine|Carphenex|Cathejell|Denydryl|Dibenil|Dibondrin|difenhidramina, clorhidrato|Difenhydramine hydrochloride|Dimedrol|Dimedrol hydrochloride|Dimedrolum|Diphamine|Diphantine|diphenhydramine HCl|Diphenhydramine hydrochloride preservative free|diphenhydramine, chlorhydrate|Diphenhydraminhydrochl https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020537 https://doi.org/10.22427/NTP-DATA-DTXSID4020537
ERPathway2016 ERPathway2016_1311 Diphenhydramine hydrochloride 147-24-0 DTXSID4020537 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 Diphenhydramine hydrochloride 147-24-0|Diphenhydramine hydrochloride|2-(Benzhydryloxy)-N,N-dimethylethylamine hydrochloride|2-(diphenylmethoxy)-N,N-dimethylethanamine hydrochloride|2-(Diphenylmethoxy)-N,N-dimethylethylamine hydrochloride|2-Diphenylmethoxy-N,N-dimethylethylamine hydrochloride|Alledryl|Allergan|Allergina|Allergival|alpha-hydroxydiphenylmethane-beta-dimethylaminoethyl ether hydrochloride|Ambenyl|Amidryl|Antitussive|Bagodryl|Banophen|Bena-Fedrin|Benadril hydrochloride|Benadryl|Benadryl preservative free|Bendylate|Benison|Benocten|Benodine|Benylin|Benzantin|Benzantin hydrochloride|Benzhydramine hydrochloride|Benzhydrol b-dimethylaminoethyl ether hydrochloride|Benzhydrol, beta-dimethylaminoethyl ether hydrochloride|beta-Dimethylaminoethyl benzhydryl ether hydrochloride|Carphenamine|Carphenex|Cathejell|Denydryl|Dibenil|Dibondrin|difenhidramina, clorhidrato|Difenhydramine hydrochloride|Dimedrol|Dimedrol hydrochloride|Dimedrolum|Diphamine|Diphantine|diphenhydramine HCl|Diphenhydramine hydrochloride preservative free|diphenhydramine, chlorhydrate|Diphenhydraminhydrochl https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020537 https://doi.org/10.22427/NTP-DATA-DTXSID4020537
ERPathway2016 ERPathway2016_1311 Diphenhydramine hydrochloride 147-24-0 DTXSID4020537 ER Pathway Model, Agonist Call Inactive Unitless Cl.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 Diphenhydramine hydrochloride 147-24-0|Diphenhydramine hydrochloride|2-(Benzhydryloxy)-N,N-dimethylethylamine hydrochloride|2-(diphenylmethoxy)-N,N-dimethylethanamine hydrochloride|2-(Diphenylmethoxy)-N,N-dimethylethylamine hydrochloride|2-Diphenylmethoxy-N,N-dimethylethylamine hydrochloride|Alledryl|Allergan|Allergina|Allergival|alpha-hydroxydiphenylmethane-beta-dimethylaminoethyl ether hydrochloride|Ambenyl|Amidryl|Antitussive|Bagodryl|Banophen|Bena-Fedrin|Benadril hydrochloride|Benadryl|Benadryl preservative free|Bendylate|Benison|Benocten|Benodine|Benylin|Benzantin|Benzantin hydrochloride|Benzhydramine hydrochloride|Benzhydrol b-dimethylaminoethyl ether hydrochloride|Benzhydrol, beta-dimethylaminoethyl ether hydrochloride|beta-Dimethylaminoethyl benzhydryl ether hydrochloride|Carphenamine|Carphenex|Cathejell|Denydryl|Dibenil|Dibondrin|difenhidramina, clorhidrato|Difenhydramine hydrochloride|Dimedrol|Dimedrol hydrochloride|Dimedrolum|Diphamine|Diphantine|diphenhydramine HCl|Diphenhydramine hydrochloride preservative free|diphenhydramine, chlorhydrate|Diphenhydraminhydrochl https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020537 https://doi.org/10.22427/NTP-DATA-DTXSID4020537
ERPathway2016 ERPathway2016_1311 Diphenhydramine hydrochloride 147-24-0 DTXSID4020537 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 Diphenhydramine hydrochloride 147-24-0|Diphenhydramine hydrochloride|2-(Benzhydryloxy)-N,N-dimethylethylamine hydrochloride|2-(diphenylmethoxy)-N,N-dimethylethanamine hydrochloride|2-(Diphenylmethoxy)-N,N-dimethylethylamine hydrochloride|2-Diphenylmethoxy-N,N-dimethylethylamine hydrochloride|Alledryl|Allergan|Allergina|Allergival|alpha-hydroxydiphenylmethane-beta-dimethylaminoethyl ether hydrochloride|Ambenyl|Amidryl|Antitussive|Bagodryl|Banophen|Bena-Fedrin|Benadril hydrochloride|Benadryl|Benadryl preservative free|Bendylate|Benison|Benocten|Benodine|Benylin|Benzantin|Benzantin hydrochloride|Benzhydramine hydrochloride|Benzhydrol b-dimethylaminoethyl ether hydrochloride|Benzhydrol, beta-dimethylaminoethyl ether hydrochloride|beta-Dimethylaminoethyl benzhydryl ether hydrochloride|Carphenamine|Carphenex|Cathejell|Denydryl|Dibenil|Dibondrin|difenhidramina, clorhidrato|Difenhydramine hydrochloride|Dimedrol|Dimedrol hydrochloride|Dimedrolum|Diphamine|Diphantine|diphenhydramine HCl|Diphenhydramine hydrochloride preservative free|diphenhydramine, chlorhydrate|Diphenhydraminhydrochl https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020537 https://doi.org/10.22427/NTP-DATA-DTXSID4020537
ARPathway2016 ARPathway2016_1525 Diphenyl isophthalate 744-45-6 DTXSID8037752 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C(OC1=CC=CC=C1)C1=CC(=CC=C1)C(=O)OC1=CC=CC=C1 Diphenyl isophthalate 744-45-6|Diphenyl isophthalate|1,3-Benzenedicarboxylic acid, 1,3-diphenyl ester|1,3-benzenedicarboxylic acid, diphenyl ester|Diphenyl m-phthalate|EINECS 212-014-6|NSC 16430 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037752
ARPathway2016 ARPathway2016_1525 Diphenyl isophthalate 744-45-6 DTXSID8037752 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C(OC1=CC=CC=C1)C1=CC(=CC=C1)C(=O)OC1=CC=CC=C1 Diphenyl isophthalate 744-45-6|Diphenyl isophthalate|1,3-Benzenedicarboxylic acid, 1,3-diphenyl ester|1,3-benzenedicarboxylic acid, diphenyl ester|Diphenyl m-phthalate|EINECS 212-014-6|NSC 16430 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037752
ARPathway2016 ARPathway2016_1525 Diphenyl isophthalate 744-45-6 DTXSID8037752 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C(OC1=CC=CC=C1)C1=CC(=CC=C1)C(=O)OC1=CC=CC=C1 Diphenyl isophthalate 744-45-6|Diphenyl isophthalate|1,3-Benzenedicarboxylic acid, 1,3-diphenyl ester|1,3-benzenedicarboxylic acid, diphenyl ester|Diphenyl m-phthalate|EINECS 212-014-6|NSC 16430 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037752
ARPathway2016 ARPathway2016_1525 Diphenyl isophthalate 744-45-6 DTXSID8037752 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C(OC1=CC=CC=C1)C1=CC(=CC=C1)C(=O)OC1=CC=CC=C1 Diphenyl isophthalate 744-45-6|Diphenyl isophthalate|1,3-Benzenedicarboxylic acid, 1,3-diphenyl ester|1,3-benzenedicarboxylic acid, diphenyl ester|Diphenyl m-phthalate|EINECS 212-014-6|NSC 16430 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037752
ERPathway2016 ERPathway2016_300 Diphenyl isophthalate 744-45-6 DTXSID8037752 A15 ER Pathway Model, Antagonist AC50 26.0987791019454 uM O=C(OC1=CC=CC=C1)C1=CC(=CC=C1)C(=O)OC1=CC=CC=C1 Diphenyl isophthalate 744-45-6|Diphenyl isophthalate|1,3-Benzenedicarboxylic acid, 1,3-diphenyl ester|1,3-benzenedicarboxylic acid, diphenyl ester|Diphenyl m-phthalate|EINECS 212-014-6|NSC 16430 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037752
ERPathway2016 ERPathway2016_300 Diphenyl isophthalate 744-45-6 DTXSID8037752 A15 ER Pathway Model, Antagonist ACC 7.46757109688499 uM O=C(OC1=CC=CC=C1)C1=CC(=CC=C1)C(=O)OC1=CC=CC=C1 Diphenyl isophthalate 744-45-6|Diphenyl isophthalate|1,3-Benzenedicarboxylic acid, 1,3-diphenyl ester|1,3-benzenedicarboxylic acid, diphenyl ester|Diphenyl m-phthalate|EINECS 212-014-6|NSC 16430 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037752
ERPathway2016 ERPathway2016_300 Diphenyl isophthalate 744-45-6 DTXSID8037752 A15 ER Pathway Model, Agonist Model Score 0.035 Unitless O=C(OC1=CC=CC=C1)C1=CC(=CC=C1)C(=O)OC1=CC=CC=C1 Diphenyl isophthalate 744-45-6|Diphenyl isophthalate|1,3-Benzenedicarboxylic acid, 1,3-diphenyl ester|1,3-benzenedicarboxylic acid, diphenyl ester|Diphenyl m-phthalate|EINECS 212-014-6|NSC 16430 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037752
ERPathway2016 ERPathway2016_300 Diphenyl isophthalate 744-45-6 DTXSID8037752 A15 ER Pathway Model, Antagonist Model Score 0 Unitless O=C(OC1=CC=CC=C1)C1=CC(=CC=C1)C(=O)OC1=CC=CC=C1 Diphenyl isophthalate 744-45-6|Diphenyl isophthalate|1,3-Benzenedicarboxylic acid, 1,3-diphenyl ester|1,3-benzenedicarboxylic acid, diphenyl ester|Diphenyl m-phthalate|EINECS 212-014-6|NSC 16430 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037752
ERPathway2016 ERPathway2016_300 Diphenyl isophthalate 744-45-6 DTXSID8037752 A15 ER Pathway Model, Agonist Call Inactive Unitless O=C(OC1=CC=CC=C1)C1=CC(=CC=C1)C(=O)OC1=CC=CC=C1 Diphenyl isophthalate 744-45-6|Diphenyl isophthalate|1,3-Benzenedicarboxylic acid, 1,3-diphenyl ester|1,3-benzenedicarboxylic acid, diphenyl ester|Diphenyl m-phthalate|EINECS 212-014-6|NSC 16430 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037752
ERPathway2016 ERPathway2016_300 Diphenyl isophthalate 744-45-6 DTXSID8037752 A15 ER Pathway Model, Antagonist Call Active Unitless O=C(OC1=CC=CC=C1)C1=CC(=CC=C1)C(=O)OC1=CC=CC=C1 Diphenyl isophthalate 744-45-6|Diphenyl isophthalate|1,3-Benzenedicarboxylic acid, 1,3-diphenyl ester|1,3-benzenedicarboxylic acid, diphenyl ester|Diphenyl m-phthalate|EINECS 212-014-6|NSC 16430 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037752
ARPathway2016 ARPathway2016_420 Diphenyl oxide 101-84-8 DTXSID9021847 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O(C1=CC=CC=C1)C1=CC=CC=C1 Diphenyl oxide 101-84-8|Diphenyl oxide|. Diphenyl Oxide|1,1-Oxybisbenzene|1,1'-Oxybis-Benzene|1,1'-oxybis(benzene)|1,1'-Oxybis[benzene]|1,1'-Oxybisbenzene|1,1'-Oxybisbenzene, 9CI|1,1'-Oxydibenzene|2,2',3-Trihydroxydiphenylether|4-06-00-00568|Barrel Therm 330|Benzene, 1,1'-oxybis-|Benzene, phenoxy-|Biphenyl oxide|BRN 1364620|Chemcryl JK-EB|COMPOUND DIPHENYL ETHER|difenil eter|diphenyl ether|Diphenyl-Ether|DIPHENYLAETHER|Diphenylether|Diphenyloxid|EINECS 202-981-2|ETHER, DIPHENYL|Ether, diphenyl-|FEMA 3667|FEMA No. 3667|Geranium crystals|NSC 19311|Oxybisbenzene|Oxyde de diphenyle|Oxydiphenyl|Phenoxy-Benzene|Phenoxybenzene|Phenyl ether|Phenyl ether (8CI)|Phenyl ether, 8CI|Phenyl ether, vapor|Phenyl oxide|UNII-3O695R5M1U https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021847 https://doi.org/10.22427/NTP-DATA-DTXSID9021847
ARPathway2016 ARPathway2016_420 Diphenyl oxide 101-84-8 DTXSID9021847 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O(C1=CC=CC=C1)C1=CC=CC=C1 Diphenyl oxide 101-84-8|Diphenyl oxide|. Diphenyl Oxide|1,1-Oxybisbenzene|1,1'-Oxybis-Benzene|1,1'-oxybis(benzene)|1,1'-Oxybis[benzene]|1,1'-Oxybisbenzene|1,1'-Oxybisbenzene, 9CI|1,1'-Oxydibenzene|2,2',3-Trihydroxydiphenylether|4-06-00-00568|Barrel Therm 330|Benzene, 1,1'-oxybis-|Benzene, phenoxy-|Biphenyl oxide|BRN 1364620|Chemcryl JK-EB|COMPOUND DIPHENYL ETHER|difenil eter|diphenyl ether|Diphenyl-Ether|DIPHENYLAETHER|Diphenylether|Diphenyloxid|EINECS 202-981-2|ETHER, DIPHENYL|Ether, diphenyl-|FEMA 3667|FEMA No. 3667|Geranium crystals|NSC 19311|Oxybisbenzene|Oxyde de diphenyle|Oxydiphenyl|Phenoxy-Benzene|Phenoxybenzene|Phenyl ether|Phenyl ether (8CI)|Phenyl ether, 8CI|Phenyl ether, vapor|Phenyl oxide|UNII-3O695R5M1U https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021847 https://doi.org/10.22427/NTP-DATA-DTXSID9021847
ARPathway2016 ARPathway2016_420 Diphenyl oxide 101-84-8 DTXSID9021847 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O(C1=CC=CC=C1)C1=CC=CC=C1 Diphenyl oxide 101-84-8|Diphenyl oxide|. Diphenyl Oxide|1,1-Oxybisbenzene|1,1'-Oxybis-Benzene|1,1'-oxybis(benzene)|1,1'-Oxybis[benzene]|1,1'-Oxybisbenzene|1,1'-Oxybisbenzene, 9CI|1,1'-Oxydibenzene|2,2',3-Trihydroxydiphenylether|4-06-00-00568|Barrel Therm 330|Benzene, 1,1'-oxybis-|Benzene, phenoxy-|Biphenyl oxide|BRN 1364620|Chemcryl JK-EB|COMPOUND DIPHENYL ETHER|difenil eter|diphenyl ether|Diphenyl-Ether|DIPHENYLAETHER|Diphenylether|Diphenyloxid|EINECS 202-981-2|ETHER, DIPHENYL|Ether, diphenyl-|FEMA 3667|FEMA No. 3667|Geranium crystals|NSC 19311|Oxybisbenzene|Oxyde de diphenyle|Oxydiphenyl|Phenoxy-Benzene|Phenoxybenzene|Phenyl ether|Phenyl ether (8CI)|Phenyl ether, 8CI|Phenyl ether, vapor|Phenyl oxide|UNII-3O695R5M1U https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021847 https://doi.org/10.22427/NTP-DATA-DTXSID9021847
ARPathway2016 ARPathway2016_420 Diphenyl oxide 101-84-8 DTXSID9021847 0.0 AR Pathway Model, Agonist Call Inactive Unitless O(C1=CC=CC=C1)C1=CC=CC=C1 Diphenyl oxide 101-84-8|Diphenyl oxide|. Diphenyl Oxide|1,1-Oxybisbenzene|1,1'-Oxybis-Benzene|1,1'-oxybis(benzene)|1,1'-Oxybis[benzene]|1,1'-Oxybisbenzene|1,1'-Oxybisbenzene, 9CI|1,1'-Oxydibenzene|2,2',3-Trihydroxydiphenylether|4-06-00-00568|Barrel Therm 330|Benzene, 1,1'-oxybis-|Benzene, phenoxy-|Biphenyl oxide|BRN 1364620|Chemcryl JK-EB|COMPOUND DIPHENYL ETHER|difenil eter|diphenyl ether|Diphenyl-Ether|DIPHENYLAETHER|Diphenylether|Diphenyloxid|EINECS 202-981-2|ETHER, DIPHENYL|Ether, diphenyl-|FEMA 3667|FEMA No. 3667|Geranium crystals|NSC 19311|Oxybisbenzene|Oxyde de diphenyle|Oxydiphenyl|Phenoxy-Benzene|Phenoxybenzene|Phenyl ether|Phenyl ether (8CI)|Phenyl ether, 8CI|Phenyl ether, vapor|Phenyl oxide|UNII-3O695R5M1U https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021847 https://doi.org/10.22427/NTP-DATA-DTXSID9021847
ERPathway2016 ERPathway2016_1064 Diphenyl oxide 101-84-8 DTXSID9021847 ER Pathway Model, Agonist Model Score 0 Unitless O(C1=CC=CC=C1)C1=CC=CC=C1 Diphenyl oxide 101-84-8|Diphenyl oxide|. Diphenyl Oxide|1,1-Oxybisbenzene|1,1'-Oxybis-Benzene|1,1'-oxybis(benzene)|1,1'-Oxybis[benzene]|1,1'-Oxybisbenzene|1,1'-Oxybisbenzene, 9CI|1,1'-Oxydibenzene|2,2',3-Trihydroxydiphenylether|4-06-00-00568|Barrel Therm 330|Benzene, 1,1'-oxybis-|Benzene, phenoxy-|Biphenyl oxide|BRN 1364620|Chemcryl JK-EB|COMPOUND DIPHENYL ETHER|difenil eter|diphenyl ether|Diphenyl-Ether|DIPHENYLAETHER|Diphenylether|Diphenyloxid|EINECS 202-981-2|ETHER, DIPHENYL|Ether, diphenyl-|FEMA 3667|FEMA No. 3667|Geranium crystals|NSC 19311|Oxybisbenzene|Oxyde de diphenyle|Oxydiphenyl|Phenoxy-Benzene|Phenoxybenzene|Phenyl ether|Phenyl ether (8CI)|Phenyl ether, 8CI|Phenyl ether, vapor|Phenyl oxide|UNII-3O695R5M1U https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021847 https://doi.org/10.22427/NTP-DATA-DTXSID9021847
ERPathway2016 ERPathway2016_1064 Diphenyl oxide 101-84-8 DTXSID9021847 ER Pathway Model, Antagonist Model Score 0 Unitless O(C1=CC=CC=C1)C1=CC=CC=C1 Diphenyl oxide 101-84-8|Diphenyl oxide|. Diphenyl Oxide|1,1-Oxybisbenzene|1,1'-Oxybis-Benzene|1,1'-oxybis(benzene)|1,1'-Oxybis[benzene]|1,1'-Oxybisbenzene|1,1'-Oxybisbenzene, 9CI|1,1'-Oxydibenzene|2,2',3-Trihydroxydiphenylether|4-06-00-00568|Barrel Therm 330|Benzene, 1,1'-oxybis-|Benzene, phenoxy-|Biphenyl oxide|BRN 1364620|Chemcryl JK-EB|COMPOUND DIPHENYL ETHER|difenil eter|diphenyl ether|Diphenyl-Ether|DIPHENYLAETHER|Diphenylether|Diphenyloxid|EINECS 202-981-2|ETHER, DIPHENYL|Ether, diphenyl-|FEMA 3667|FEMA No. 3667|Geranium crystals|NSC 19311|Oxybisbenzene|Oxyde de diphenyle|Oxydiphenyl|Phenoxy-Benzene|Phenoxybenzene|Phenyl ether|Phenyl ether (8CI)|Phenyl ether, 8CI|Phenyl ether, vapor|Phenyl oxide|UNII-3O695R5M1U https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021847 https://doi.org/10.22427/NTP-DATA-DTXSID9021847
ERPathway2016 ERPathway2016_1064 Diphenyl oxide 101-84-8 DTXSID9021847 ER Pathway Model, Agonist Call Inactive Unitless O(C1=CC=CC=C1)C1=CC=CC=C1 Diphenyl oxide 101-84-8|Diphenyl oxide|. Diphenyl Oxide|1,1-Oxybisbenzene|1,1'-Oxybis-Benzene|1,1'-oxybis(benzene)|1,1'-Oxybis[benzene]|1,1'-Oxybisbenzene|1,1'-Oxybisbenzene, 9CI|1,1'-Oxydibenzene|2,2',3-Trihydroxydiphenylether|4-06-00-00568|Barrel Therm 330|Benzene, 1,1'-oxybis-|Benzene, phenoxy-|Biphenyl oxide|BRN 1364620|Chemcryl JK-EB|COMPOUND DIPHENYL ETHER|difenil eter|diphenyl ether|Diphenyl-Ether|DIPHENYLAETHER|Diphenylether|Diphenyloxid|EINECS 202-981-2|ETHER, DIPHENYL|Ether, diphenyl-|FEMA 3667|FEMA No. 3667|Geranium crystals|NSC 19311|Oxybisbenzene|Oxyde de diphenyle|Oxydiphenyl|Phenoxy-Benzene|Phenoxybenzene|Phenyl ether|Phenyl ether (8CI)|Phenyl ether, 8CI|Phenyl ether, vapor|Phenyl oxide|UNII-3O695R5M1U https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021847 https://doi.org/10.22427/NTP-DATA-DTXSID9021847
ERPathway2016 ERPathway2016_1064 Diphenyl oxide 101-84-8 DTXSID9021847 ER Pathway Model, Antagonist Call Inactive Unitless O(C1=CC=CC=C1)C1=CC=CC=C1 Diphenyl oxide 101-84-8|Diphenyl oxide|. Diphenyl Oxide|1,1-Oxybisbenzene|1,1'-Oxybis-Benzene|1,1'-oxybis(benzene)|1,1'-Oxybis[benzene]|1,1'-Oxybisbenzene|1,1'-Oxybisbenzene, 9CI|1,1'-Oxydibenzene|2,2',3-Trihydroxydiphenylether|4-06-00-00568|Barrel Therm 330|Benzene, 1,1'-oxybis-|Benzene, phenoxy-|Biphenyl oxide|BRN 1364620|Chemcryl JK-EB|COMPOUND DIPHENYL ETHER|difenil eter|diphenyl ether|Diphenyl-Ether|DIPHENYLAETHER|Diphenylether|Diphenyloxid|EINECS 202-981-2|ETHER, DIPHENYL|Ether, diphenyl-|FEMA 3667|FEMA No. 3667|Geranium crystals|NSC 19311|Oxybisbenzene|Oxyde de diphenyle|Oxydiphenyl|Phenoxy-Benzene|Phenoxybenzene|Phenyl ether|Phenyl ether (8CI)|Phenyl ether, 8CI|Phenyl ether, vapor|Phenyl oxide|UNII-3O695R5M1U https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021847 https://doi.org/10.22427/NTP-DATA-DTXSID9021847
ARPathway2016 ARPathway2016_1636 Diphenyl phosphate 838-85-7 DTXSID1048207 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 Diphenyl phosphate 838-85-7|Diphenyl phosphate|4-06-00-00714|BRN 1379164|DPhP|EDHP-3|EINECS 212-657-2|NSC 6518|Phenyl hydrogen phosphate|Phosphoric acid, diphenyl ester|TPhP-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048207
ARPathway2016 ARPathway2016_1636 Diphenyl phosphate 838-85-7 DTXSID1048207 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 Diphenyl phosphate 838-85-7|Diphenyl phosphate|4-06-00-00714|BRN 1379164|DPhP|EDHP-3|EINECS 212-657-2|NSC 6518|Phenyl hydrogen phosphate|Phosphoric acid, diphenyl ester|TPhP-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048207
ARPathway2016 ARPathway2016_1636 Diphenyl phosphate 838-85-7 DTXSID1048207 0.0 AR Pathway Model, Agonist Call Inactive Unitless OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 Diphenyl phosphate 838-85-7|Diphenyl phosphate|4-06-00-00714|BRN 1379164|DPhP|EDHP-3|EINECS 212-657-2|NSC 6518|Phenyl hydrogen phosphate|Phosphoric acid, diphenyl ester|TPhP-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048207
ARPathway2016 ARPathway2016_1636 Diphenyl phosphate 838-85-7 DTXSID1048207 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 Diphenyl phosphate 838-85-7|Diphenyl phosphate|4-06-00-00714|BRN 1379164|DPhP|EDHP-3|EINECS 212-657-2|NSC 6518|Phenyl hydrogen phosphate|Phosphoric acid, diphenyl ester|TPhP-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048207
ERPathway2016 ERPathway2016_1699 Diphenyl phosphate 838-85-7 DTXSID1048207 ER Pathway Model, Agonist Model Score 0 Unitless OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 Diphenyl phosphate 838-85-7|Diphenyl phosphate|4-06-00-00714|BRN 1379164|DPhP|EDHP-3|EINECS 212-657-2|NSC 6518|Phenyl hydrogen phosphate|Phosphoric acid, diphenyl ester|TPhP-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048207
ERPathway2016 ERPathway2016_1699 Diphenyl phosphate 838-85-7 DTXSID1048207 ER Pathway Model, Antagonist Model Score 0 Unitless OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 Diphenyl phosphate 838-85-7|Diphenyl phosphate|4-06-00-00714|BRN 1379164|DPhP|EDHP-3|EINECS 212-657-2|NSC 6518|Phenyl hydrogen phosphate|Phosphoric acid, diphenyl ester|TPhP-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048207
ERPathway2016 ERPathway2016_1699 Diphenyl phosphate 838-85-7 DTXSID1048207 ER Pathway Model, Agonist Call Inactive Unitless OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 Diphenyl phosphate 838-85-7|Diphenyl phosphate|4-06-00-00714|BRN 1379164|DPhP|EDHP-3|EINECS 212-657-2|NSC 6518|Phenyl hydrogen phosphate|Phosphoric acid, diphenyl ester|TPhP-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048207
ERPathway2016 ERPathway2016_1699 Diphenyl phosphate 838-85-7 DTXSID1048207 ER Pathway Model, Antagonist Call Inactive Unitless OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 Diphenyl phosphate 838-85-7|Diphenyl phosphate|4-06-00-00714|BRN 1379164|DPhP|EDHP-3|EINECS 212-657-2|NSC 6518|Phenyl hydrogen phosphate|Phosphoric acid, diphenyl ester|TPhP-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048207
ARPathway2016 ARPathway2016_1225 Diphenyl phosphite 4712-55-4 DTXSID7041889 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=P(OC1=CC=CC=C1)OC1=CC=CC=C1 Diphenyl phosphite 4712-55-4|Diphenyl phosphite|Diphenoxyphosphine oxide|Diphenyl hydrogen phosphite|Diphenyl phosphonate|EINECS 225-202-8|NSC 43786|Phenyl phosphonate|Phenyl phosphonate ((PhO)2HPO)|Phenyl phosphonate, (PhO)2HPO|Phosphonic acid, diphenyl ester|Phosphorous acid, diphenyl ester|UNII-5144JS6XUM https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041889
ARPathway2016 ARPathway2016_1225 Diphenyl phosphite 4712-55-4 DTXSID7041889 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=P(OC1=CC=CC=C1)OC1=CC=CC=C1 Diphenyl phosphite 4712-55-4|Diphenyl phosphite|Diphenoxyphosphine oxide|Diphenyl hydrogen phosphite|Diphenyl phosphonate|EINECS 225-202-8|NSC 43786|Phenyl phosphonate|Phenyl phosphonate ((PhO)2HPO)|Phenyl phosphonate, (PhO)2HPO|Phosphonic acid, diphenyl ester|Phosphorous acid, diphenyl ester|UNII-5144JS6XUM https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041889
ARPathway2016 ARPathway2016_1225 Diphenyl phosphite 4712-55-4 DTXSID7041889 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=P(OC1=CC=CC=C1)OC1=CC=CC=C1 Diphenyl phosphite 4712-55-4|Diphenyl phosphite|Diphenoxyphosphine oxide|Diphenyl hydrogen phosphite|Diphenyl phosphonate|EINECS 225-202-8|NSC 43786|Phenyl phosphonate|Phenyl phosphonate ((PhO)2HPO)|Phenyl phosphonate, (PhO)2HPO|Phosphonic acid, diphenyl ester|Phosphorous acid, diphenyl ester|UNII-5144JS6XUM https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041889
ARPathway2016 ARPathway2016_1225 Diphenyl phosphite 4712-55-4 DTXSID7041889 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=P(OC1=CC=CC=C1)OC1=CC=CC=C1 Diphenyl phosphite 4712-55-4|Diphenyl phosphite|Diphenoxyphosphine oxide|Diphenyl hydrogen phosphite|Diphenyl phosphonate|EINECS 225-202-8|NSC 43786|Phenyl phosphonate|Phenyl phosphonate ((PhO)2HPO)|Phenyl phosphonate, (PhO)2HPO|Phosphonic acid, diphenyl ester|Phosphorous acid, diphenyl ester|UNII-5144JS6XUM https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041889
ERPathway2016 ERPathway2016_219 Diphenyl phosphite 4712-55-4 DTXSID7041889 Agonist ER Pathway Model, Antagonist AC50 34.8438715270335 uM O=P(OC1=CC=CC=C1)OC1=CC=CC=C1 Diphenyl phosphite 4712-55-4|Diphenyl phosphite|Diphenoxyphosphine oxide|Diphenyl hydrogen phosphite|Diphenyl phosphonate|EINECS 225-202-8|NSC 43786|Phenyl phosphonate|Phenyl phosphonate ((PhO)2HPO)|Phenyl phosphonate, (PhO)2HPO|Phosphonic acid, diphenyl ester|Phosphorous acid, diphenyl ester|UNII-5144JS6XUM https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041889
ERPathway2016 ERPathway2016_219 Diphenyl phosphite 4712-55-4 DTXSID7041889 Agonist ER Pathway Model, Antagonist ACC 31.8564657389541 uM O=P(OC1=CC=CC=C1)OC1=CC=CC=C1 Diphenyl phosphite 4712-55-4|Diphenyl phosphite|Diphenoxyphosphine oxide|Diphenyl hydrogen phosphite|Diphenyl phosphonate|EINECS 225-202-8|NSC 43786|Phenyl phosphonate|Phenyl phosphonate ((PhO)2HPO)|Phenyl phosphonate, (PhO)2HPO|Phosphonic acid, diphenyl ester|Phosphorous acid, diphenyl ester|UNII-5144JS6XUM https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041889
ERPathway2016 ERPathway2016_219 Diphenyl phosphite 4712-55-4 DTXSID7041889 Agonist ER Pathway Model, Agonist Model Score 0.142 Unitless O=P(OC1=CC=CC=C1)OC1=CC=CC=C1 Diphenyl phosphite 4712-55-4|Diphenyl phosphite|Diphenoxyphosphine oxide|Diphenyl hydrogen phosphite|Diphenyl phosphonate|EINECS 225-202-8|NSC 43786|Phenyl phosphonate|Phenyl phosphonate ((PhO)2HPO)|Phenyl phosphonate, (PhO)2HPO|Phosphonic acid, diphenyl ester|Phosphorous acid, diphenyl ester|UNII-5144JS6XUM https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041889
ERPathway2016 ERPathway2016_219 Diphenyl phosphite 4712-55-4 DTXSID7041889 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless O=P(OC1=CC=CC=C1)OC1=CC=CC=C1 Diphenyl phosphite 4712-55-4|Diphenyl phosphite|Diphenoxyphosphine oxide|Diphenyl hydrogen phosphite|Diphenyl phosphonate|EINECS 225-202-8|NSC 43786|Phenyl phosphonate|Phenyl phosphonate ((PhO)2HPO)|Phenyl phosphonate, (PhO)2HPO|Phosphonic acid, diphenyl ester|Phosphorous acid, diphenyl ester|UNII-5144JS6XUM https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041889
ERPathway2016 ERPathway2016_219 Diphenyl phosphite 4712-55-4 DTXSID7041889 Agonist ER Pathway Model, Agonist Call Inactive Unitless O=P(OC1=CC=CC=C1)OC1=CC=CC=C1 Diphenyl phosphite 4712-55-4|Diphenyl phosphite|Diphenoxyphosphine oxide|Diphenyl hydrogen phosphite|Diphenyl phosphonate|EINECS 225-202-8|NSC 43786|Phenyl phosphonate|Phenyl phosphonate ((PhO)2HPO)|Phenyl phosphonate, (PhO)2HPO|Phosphonic acid, diphenyl ester|Phosphorous acid, diphenyl ester|UNII-5144JS6XUM https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041889
ERPathway2016 ERPathway2016_219 Diphenyl phosphite 4712-55-4 DTXSID7041889 Agonist ER Pathway Model, Antagonist Call Active Unitless O=P(OC1=CC=CC=C1)OC1=CC=CC=C1 Diphenyl phosphite 4712-55-4|Diphenyl phosphite|Diphenoxyphosphine oxide|Diphenyl hydrogen phosphite|Diphenyl phosphonate|EINECS 225-202-8|NSC 43786|Phenyl phosphonate|Phenyl phosphonate ((PhO)2HPO)|Phenyl phosphonate, (PhO)2HPO|Phosphonic acid, diphenyl ester|Phosphorous acid, diphenyl ester|UNII-5144JS6XUM https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041889
ARPathway2016 ARPathway2016_697 Diphenylamine 122-39-4 DTXSID4021975 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless N(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylamine 122-39-4|Diphenylamine|(phenylamino)-Benzene|(phenylamino)benzene|2-Biphenylyl-N-pyridyl-Acetamide|2-Biphenylyl-N-pyridylacetamide|Amino diphenyl|Aniline, N-phenyl-|Anilino-Benzene|Anilinobenzene|Benzenamine, N-phenyl-|Benzene, (phenylamino)-|Benzene, anilino-|Big dipper|C6H5-NH-C6H5|Caswell No. 398|Deccoscald 282|DFA|difenilamina|Difenylamin|Diphenpyramide|Diphenyl-amine|Diphenylamin|DIPHENYLAMIN, REIN|DIPHENYLAMIN, TECHNISCH|Diphenylamine indicator|Diphenylamine, acs|Diphenylimine|DPA|EINECS 204-539-4|EPA Pesticide Chemical Code 038501|N-Fenylanilin|N-PHENYL-ANILIN|N-Phenyl-Aniline|N-Phenyl-Benzenamine|N-Phenylaniline|N-Phenylbenzenamine|N-PHENYLBENZENEAMINE|N,N-Diphenylamine|Naugalube 428L|No scald|No scald dpa 283|No-Scald|No-Scald DPA 283|NSC 215210|Phenylaniline|Pyridyl-biphenylyl-acetamide|Scaldip|Shield dpa|UNII-9N3CBB0BIQ|1135443-74-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021975 https://doi.org/10.22427/NTP-DATA-DTXSID4021975
ARPathway2016 ARPathway2016_697 Diphenylamine 122-39-4 DTXSID4021975 0.0 AR Pathway Model, Agonist Model Score 0 Unitless N(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylamine 122-39-4|Diphenylamine|(phenylamino)-Benzene|(phenylamino)benzene|2-Biphenylyl-N-pyridyl-Acetamide|2-Biphenylyl-N-pyridylacetamide|Amino diphenyl|Aniline, N-phenyl-|Anilino-Benzene|Anilinobenzene|Benzenamine, N-phenyl-|Benzene, (phenylamino)-|Benzene, anilino-|Big dipper|C6H5-NH-C6H5|Caswell No. 398|Deccoscald 282|DFA|difenilamina|Difenylamin|Diphenpyramide|Diphenyl-amine|Diphenylamin|DIPHENYLAMIN, REIN|DIPHENYLAMIN, TECHNISCH|Diphenylamine indicator|Diphenylamine, acs|Diphenylimine|DPA|EINECS 204-539-4|EPA Pesticide Chemical Code 038501|N-Fenylanilin|N-PHENYL-ANILIN|N-Phenyl-Aniline|N-Phenyl-Benzenamine|N-Phenylaniline|N-Phenylbenzenamine|N-PHENYLBENZENEAMINE|N,N-Diphenylamine|Naugalube 428L|No scald|No scald dpa 283|No-Scald|No-Scald DPA 283|NSC 215210|Phenylaniline|Pyridyl-biphenylyl-acetamide|Scaldip|Shield dpa|UNII-9N3CBB0BIQ|1135443-74-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021975 https://doi.org/10.22427/NTP-DATA-DTXSID4021975
ARPathway2016 ARPathway2016_697 Diphenylamine 122-39-4 DTXSID4021975 0.0 AR Pathway Model, Agonist Call Inactive Unitless N(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylamine 122-39-4|Diphenylamine|(phenylamino)-Benzene|(phenylamino)benzene|2-Biphenylyl-N-pyridyl-Acetamide|2-Biphenylyl-N-pyridylacetamide|Amino diphenyl|Aniline, N-phenyl-|Anilino-Benzene|Anilinobenzene|Benzenamine, N-phenyl-|Benzene, (phenylamino)-|Benzene, anilino-|Big dipper|C6H5-NH-C6H5|Caswell No. 398|Deccoscald 282|DFA|difenilamina|Difenylamin|Diphenpyramide|Diphenyl-amine|Diphenylamin|DIPHENYLAMIN, REIN|DIPHENYLAMIN, TECHNISCH|Diphenylamine indicator|Diphenylamine, acs|Diphenylimine|DPA|EINECS 204-539-4|EPA Pesticide Chemical Code 038501|N-Fenylanilin|N-PHENYL-ANILIN|N-Phenyl-Aniline|N-Phenyl-Benzenamine|N-Phenylaniline|N-Phenylbenzenamine|N-PHENYLBENZENEAMINE|N,N-Diphenylamine|Naugalube 428L|No scald|No scald dpa 283|No-Scald|No-Scald DPA 283|NSC 215210|Phenylaniline|Pyridyl-biphenylyl-acetamide|Scaldip|Shield dpa|UNII-9N3CBB0BIQ|1135443-74-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021975 https://doi.org/10.22427/NTP-DATA-DTXSID4021975
ARPathway2016 ARPathway2016_697 Diphenylamine 122-39-4 DTXSID4021975 0.0 AR Pathway Model, Antagonist Call Inactive Unitless N(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylamine 122-39-4|Diphenylamine|(phenylamino)-Benzene|(phenylamino)benzene|2-Biphenylyl-N-pyridyl-Acetamide|2-Biphenylyl-N-pyridylacetamide|Amino diphenyl|Aniline, N-phenyl-|Anilino-Benzene|Anilinobenzene|Benzenamine, N-phenyl-|Benzene, (phenylamino)-|Benzene, anilino-|Big dipper|C6H5-NH-C6H5|Caswell No. 398|Deccoscald 282|DFA|difenilamina|Difenylamin|Diphenpyramide|Diphenyl-amine|Diphenylamin|DIPHENYLAMIN, REIN|DIPHENYLAMIN, TECHNISCH|Diphenylamine indicator|Diphenylamine, acs|Diphenylimine|DPA|EINECS 204-539-4|EPA Pesticide Chemical Code 038501|N-Fenylanilin|N-PHENYL-ANILIN|N-Phenyl-Aniline|N-Phenyl-Benzenamine|N-Phenylaniline|N-Phenylbenzenamine|N-PHENYLBENZENEAMINE|N,N-Diphenylamine|Naugalube 428L|No scald|No scald dpa 283|No-Scald|No-Scald DPA 283|NSC 215210|Phenylaniline|Pyridyl-biphenylyl-acetamide|Scaldip|Shield dpa|UNII-9N3CBB0BIQ|1135443-74-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021975 https://doi.org/10.22427/NTP-DATA-DTXSID4021975
ERPathway2016 ERPathway2016_412 Diphenylamine 122-39-4 DTXSID4021975 ER Pathway Model, Antagonist AC50 47.5029169796397 uM N(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylamine 122-39-4|Diphenylamine|(phenylamino)-Benzene|(phenylamino)benzene|2-Biphenylyl-N-pyridyl-Acetamide|2-Biphenylyl-N-pyridylacetamide|Amino diphenyl|Aniline, N-phenyl-|Anilino-Benzene|Anilinobenzene|Benzenamine, N-phenyl-|Benzene, (phenylamino)-|Benzene, anilino-|Big dipper|C6H5-NH-C6H5|Caswell No. 398|Deccoscald 282|DFA|difenilamina|Difenylamin|Diphenpyramide|Diphenyl-amine|Diphenylamin|DIPHENYLAMIN, REIN|DIPHENYLAMIN, TECHNISCH|Diphenylamine indicator|Diphenylamine, acs|Diphenylimine|DPA|EINECS 204-539-4|EPA Pesticide Chemical Code 038501|N-Fenylanilin|N-PHENYL-ANILIN|N-Phenyl-Aniline|N-Phenyl-Benzenamine|N-Phenylaniline|N-Phenylbenzenamine|N-PHENYLBENZENEAMINE|N,N-Diphenylamine|Naugalube 428L|No scald|No scald dpa 283|No-Scald|No-Scald DPA 283|NSC 215210|Phenylaniline|Pyridyl-biphenylyl-acetamide|Scaldip|Shield dpa|UNII-9N3CBB0BIQ|1135443-74-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021975 https://doi.org/10.22427/NTP-DATA-DTXSID4021975
ERPathway2016 ERPathway2016_412 Diphenylamine 122-39-4 DTXSID4021975 ER Pathway Model, Antagonist ACC 41.7965102512174 uM N(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylamine 122-39-4|Diphenylamine|(phenylamino)-Benzene|(phenylamino)benzene|2-Biphenylyl-N-pyridyl-Acetamide|2-Biphenylyl-N-pyridylacetamide|Amino diphenyl|Aniline, N-phenyl-|Anilino-Benzene|Anilinobenzene|Benzenamine, N-phenyl-|Benzene, (phenylamino)-|Benzene, anilino-|Big dipper|C6H5-NH-C6H5|Caswell No. 398|Deccoscald 282|DFA|difenilamina|Difenylamin|Diphenpyramide|Diphenyl-amine|Diphenylamin|DIPHENYLAMIN, REIN|DIPHENYLAMIN, TECHNISCH|Diphenylamine indicator|Diphenylamine, acs|Diphenylimine|DPA|EINECS 204-539-4|EPA Pesticide Chemical Code 038501|N-Fenylanilin|N-PHENYL-ANILIN|N-Phenyl-Aniline|N-Phenyl-Benzenamine|N-Phenylaniline|N-Phenylbenzenamine|N-PHENYLBENZENEAMINE|N,N-Diphenylamine|Naugalube 428L|No scald|No scald dpa 283|No-Scald|No-Scald DPA 283|NSC 215210|Phenylaniline|Pyridyl-biphenylyl-acetamide|Scaldip|Shield dpa|UNII-9N3CBB0BIQ|1135443-74-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021975 https://doi.org/10.22427/NTP-DATA-DTXSID4021975
ERPathway2016 ERPathway2016_412 Diphenylamine 122-39-4 DTXSID4021975 ER Pathway Model, Agonist Model Score 0.00816 Unitless N(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylamine 122-39-4|Diphenylamine|(phenylamino)-Benzene|(phenylamino)benzene|2-Biphenylyl-N-pyridyl-Acetamide|2-Biphenylyl-N-pyridylacetamide|Amino diphenyl|Aniline, N-phenyl-|Anilino-Benzene|Anilinobenzene|Benzenamine, N-phenyl-|Benzene, (phenylamino)-|Benzene, anilino-|Big dipper|C6H5-NH-C6H5|Caswell No. 398|Deccoscald 282|DFA|difenilamina|Difenylamin|Diphenpyramide|Diphenyl-amine|Diphenylamin|DIPHENYLAMIN, REIN|DIPHENYLAMIN, TECHNISCH|Diphenylamine indicator|Diphenylamine, acs|Diphenylimine|DPA|EINECS 204-539-4|EPA Pesticide Chemical Code 038501|N-Fenylanilin|N-PHENYL-ANILIN|N-Phenyl-Aniline|N-Phenyl-Benzenamine|N-Phenylaniline|N-Phenylbenzenamine|N-PHENYLBENZENEAMINE|N,N-Diphenylamine|Naugalube 428L|No scald|No scald dpa 283|No-Scald|No-Scald DPA 283|NSC 215210|Phenylaniline|Pyridyl-biphenylyl-acetamide|Scaldip|Shield dpa|UNII-9N3CBB0BIQ|1135443-74-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021975 https://doi.org/10.22427/NTP-DATA-DTXSID4021975
ERPathway2016 ERPathway2016_412 Diphenylamine 122-39-4 DTXSID4021975 ER Pathway Model, Antagonist Model Score 0 Unitless N(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylamine 122-39-4|Diphenylamine|(phenylamino)-Benzene|(phenylamino)benzene|2-Biphenylyl-N-pyridyl-Acetamide|2-Biphenylyl-N-pyridylacetamide|Amino diphenyl|Aniline, N-phenyl-|Anilino-Benzene|Anilinobenzene|Benzenamine, N-phenyl-|Benzene, (phenylamino)-|Benzene, anilino-|Big dipper|C6H5-NH-C6H5|Caswell No. 398|Deccoscald 282|DFA|difenilamina|Difenylamin|Diphenpyramide|Diphenyl-amine|Diphenylamin|DIPHENYLAMIN, REIN|DIPHENYLAMIN, TECHNISCH|Diphenylamine indicator|Diphenylamine, acs|Diphenylimine|DPA|EINECS 204-539-4|EPA Pesticide Chemical Code 038501|N-Fenylanilin|N-PHENYL-ANILIN|N-Phenyl-Aniline|N-Phenyl-Benzenamine|N-Phenylaniline|N-Phenylbenzenamine|N-PHENYLBENZENEAMINE|N,N-Diphenylamine|Naugalube 428L|No scald|No scald dpa 283|No-Scald|No-Scald DPA 283|NSC 215210|Phenylaniline|Pyridyl-biphenylyl-acetamide|Scaldip|Shield dpa|UNII-9N3CBB0BIQ|1135443-74-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021975 https://doi.org/10.22427/NTP-DATA-DTXSID4021975
ERPathway2016 ERPathway2016_412 Diphenylamine 122-39-4 DTXSID4021975 ER Pathway Model, Agonist Call Inactive Unitless N(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylamine 122-39-4|Diphenylamine|(phenylamino)-Benzene|(phenylamino)benzene|2-Biphenylyl-N-pyridyl-Acetamide|2-Biphenylyl-N-pyridylacetamide|Amino diphenyl|Aniline, N-phenyl-|Anilino-Benzene|Anilinobenzene|Benzenamine, N-phenyl-|Benzene, (phenylamino)-|Benzene, anilino-|Big dipper|C6H5-NH-C6H5|Caswell No. 398|Deccoscald 282|DFA|difenilamina|Difenylamin|Diphenpyramide|Diphenyl-amine|Diphenylamin|DIPHENYLAMIN, REIN|DIPHENYLAMIN, TECHNISCH|Diphenylamine indicator|Diphenylamine, acs|Diphenylimine|DPA|EINECS 204-539-4|EPA Pesticide Chemical Code 038501|N-Fenylanilin|N-PHENYL-ANILIN|N-Phenyl-Aniline|N-Phenyl-Benzenamine|N-Phenylaniline|N-Phenylbenzenamine|N-PHENYLBENZENEAMINE|N,N-Diphenylamine|Naugalube 428L|No scald|No scald dpa 283|No-Scald|No-Scald DPA 283|NSC 215210|Phenylaniline|Pyridyl-biphenylyl-acetamide|Scaldip|Shield dpa|UNII-9N3CBB0BIQ|1135443-74-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021975 https://doi.org/10.22427/NTP-DATA-DTXSID4021975
ERPathway2016 ERPathway2016_412 Diphenylamine 122-39-4 DTXSID4021975 ER Pathway Model, Antagonist Call Active Unitless N(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylamine 122-39-4|Diphenylamine|(phenylamino)-Benzene|(phenylamino)benzene|2-Biphenylyl-N-pyridyl-Acetamide|2-Biphenylyl-N-pyridylacetamide|Amino diphenyl|Aniline, N-phenyl-|Anilino-Benzene|Anilinobenzene|Benzenamine, N-phenyl-|Benzene, (phenylamino)-|Benzene, anilino-|Big dipper|C6H5-NH-C6H5|Caswell No. 398|Deccoscald 282|DFA|difenilamina|Difenylamin|Diphenpyramide|Diphenyl-amine|Diphenylamin|DIPHENYLAMIN, REIN|DIPHENYLAMIN, TECHNISCH|Diphenylamine indicator|Diphenylamine, acs|Diphenylimine|DPA|EINECS 204-539-4|EPA Pesticide Chemical Code 038501|N-Fenylanilin|N-PHENYL-ANILIN|N-Phenyl-Aniline|N-Phenyl-Benzenamine|N-Phenylaniline|N-Phenylbenzenamine|N-PHENYLBENZENEAMINE|N,N-Diphenylamine|Naugalube 428L|No scald|No scald dpa 283|No-Scald|No-Scald DPA 283|NSC 215210|Phenylaniline|Pyridyl-biphenylyl-acetamide|Scaldip|Shield dpa|UNII-9N3CBB0BIQ|1135443-74-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021975 https://doi.org/10.22427/NTP-DATA-DTXSID4021975
ARPathway2016 ARPathway2016_225 Diphenylmercury(II) 587-85-9 DTXSID3042130 1.0 Antagonist AR Pathway Model, Agonist AC50 33.49870688 uM [Hg](C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmercury(II) 587-85-9|Diphenylmercury(II)|4-16-00-01702|Benzene, mercuriodi-|BRN 0637234|Difenylrtut|EINECS 209-606-1|NSC 23990|UNII-9JF9FUI57J|1337-09-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042130
ARPathway2016 ARPathway2016_225 Diphenylmercury(II) 587-85-9 DTXSID3042130 1.0 Antagonist AR Pathway Model, Agonist ACC 38.0791366590099 uM [Hg](C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmercury(II) 587-85-9|Diphenylmercury(II)|4-16-00-01702|Benzene, mercuriodi-|BRN 0637234|Difenylrtut|EINECS 209-606-1|NSC 23990|UNII-9JF9FUI57J|1337-09-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042130
ARPathway2016 ARPathway2016_225 Diphenylmercury(II) 587-85-9 DTXSID3042130 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.069 Unitless [Hg](C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmercury(II) 587-85-9|Diphenylmercury(II)|4-16-00-01702|Benzene, mercuriodi-|BRN 0637234|Difenylrtut|EINECS 209-606-1|NSC 23990|UNII-9JF9FUI57J|1337-09-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042130
ARPathway2016 ARPathway2016_225 Diphenylmercury(II) 587-85-9 DTXSID3042130 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [Hg](C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmercury(II) 587-85-9|Diphenylmercury(II)|4-16-00-01702|Benzene, mercuriodi-|BRN 0637234|Difenylrtut|EINECS 209-606-1|NSC 23990|UNII-9JF9FUI57J|1337-09-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042130
ARPathway2016 ARPathway2016_225 Diphenylmercury(II) 587-85-9 DTXSID3042130 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Hg](C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmercury(II) 587-85-9|Diphenylmercury(II)|4-16-00-01702|Benzene, mercuriodi-|BRN 0637234|Difenylrtut|EINECS 209-606-1|NSC 23990|UNII-9JF9FUI57J|1337-09-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042130
ARPathway2016 ARPathway2016_225 Diphenylmercury(II) 587-85-9 DTXSID3042130 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Hg](C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmercury(II) 587-85-9|Diphenylmercury(II)|4-16-00-01702|Benzene, mercuriodi-|BRN 0637234|Difenylrtut|EINECS 209-606-1|NSC 23990|UNII-9JF9FUI57J|1337-09-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042130
ERPathway2016 ERPathway2016_1561 Diphenylmercury(II) 587-85-9 DTXSID3042130 ER Pathway Model, Agonist Model Score 0 Unitless [Hg](C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmercury(II) 587-85-9|Diphenylmercury(II)|4-16-00-01702|Benzene, mercuriodi-|BRN 0637234|Difenylrtut|EINECS 209-606-1|NSC 23990|UNII-9JF9FUI57J|1337-09-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042130
ERPathway2016 ERPathway2016_1561 Diphenylmercury(II) 587-85-9 DTXSID3042130 ER Pathway Model, Antagonist Model Score 0 Unitless [Hg](C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmercury(II) 587-85-9|Diphenylmercury(II)|4-16-00-01702|Benzene, mercuriodi-|BRN 0637234|Difenylrtut|EINECS 209-606-1|NSC 23990|UNII-9JF9FUI57J|1337-09-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042130
ERPathway2016 ERPathway2016_1561 Diphenylmercury(II) 587-85-9 DTXSID3042130 ER Pathway Model, Agonist Call Inactive Unitless [Hg](C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmercury(II) 587-85-9|Diphenylmercury(II)|4-16-00-01702|Benzene, mercuriodi-|BRN 0637234|Difenylrtut|EINECS 209-606-1|NSC 23990|UNII-9JF9FUI57J|1337-09-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042130
ERPathway2016 ERPathway2016_1561 Diphenylmercury(II) 587-85-9 DTXSID3042130 ER Pathway Model, Antagonist Call Inactive Unitless [Hg](C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmercury(II) 587-85-9|Diphenylmercury(II)|4-16-00-01702|Benzene, mercuriodi-|BRN 0637234|Difenylrtut|EINECS 209-606-1|NSC 23990|UNII-9JF9FUI57J|1337-09-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042130
ARPathway2016 ARPathway2016_418 Diphenylmethane 101-81-5 DTXSID1041891 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmethane 101-81-5|Diphenylmethane|(phenylmethyl)benzene|1,1-Methylenebisbenzene|1,1'-dimethylenebis(benzene)|1,1'-Methylenebis[benzene]|1,1'-methylenebisbenzene|AI3-28021-X|alpha-phenyltoluene|Benzene, (phenylmethyl)-|Benzene, 1,1'-methylenebis-|Benzene, benzyl-|Benzylbenzene|difenilmetano|DIPHENYL METHANE|Diphenylmethan|ditan|EINECS 202-978-6|Methane, diphenyl-|NSC 4708|Toluene, alpha-phenyl-|UNII-K3E387I0BC https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041891
ARPathway2016 ARPathway2016_418 Diphenylmethane 101-81-5 DTXSID1041891 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmethane 101-81-5|Diphenylmethane|(phenylmethyl)benzene|1,1-Methylenebisbenzene|1,1'-dimethylenebis(benzene)|1,1'-Methylenebis[benzene]|1,1'-methylenebisbenzene|AI3-28021-X|alpha-phenyltoluene|Benzene, (phenylmethyl)-|Benzene, 1,1'-methylenebis-|Benzene, benzyl-|Benzylbenzene|difenilmetano|DIPHENYL METHANE|Diphenylmethan|ditan|EINECS 202-978-6|Methane, diphenyl-|NSC 4708|Toluene, alpha-phenyl-|UNII-K3E387I0BC https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041891
ARPathway2016 ARPathway2016_418 Diphenylmethane 101-81-5 DTXSID1041891 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmethane 101-81-5|Diphenylmethane|(phenylmethyl)benzene|1,1-Methylenebisbenzene|1,1'-dimethylenebis(benzene)|1,1'-Methylenebis[benzene]|1,1'-methylenebisbenzene|AI3-28021-X|alpha-phenyltoluene|Benzene, (phenylmethyl)-|Benzene, 1,1'-methylenebis-|Benzene, benzyl-|Benzylbenzene|difenilmetano|DIPHENYL METHANE|Diphenylmethan|ditan|EINECS 202-978-6|Methane, diphenyl-|NSC 4708|Toluene, alpha-phenyl-|UNII-K3E387I0BC https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041891
ARPathway2016 ARPathway2016_418 Diphenylmethane 101-81-5 DTXSID1041891 0.0 AR Pathway Model, Agonist Call Inactive Unitless C(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmethane 101-81-5|Diphenylmethane|(phenylmethyl)benzene|1,1-Methylenebisbenzene|1,1'-dimethylenebis(benzene)|1,1'-Methylenebis[benzene]|1,1'-methylenebisbenzene|AI3-28021-X|alpha-phenyltoluene|Benzene, (phenylmethyl)-|Benzene, 1,1'-methylenebis-|Benzene, benzyl-|Benzylbenzene|difenilmetano|DIPHENYL METHANE|Diphenylmethan|ditan|EINECS 202-978-6|Methane, diphenyl-|NSC 4708|Toluene, alpha-phenyl-|UNII-K3E387I0BC https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041891
ERPathway2016 ERPathway2016_336 Diphenylmethane 101-81-5 DTXSID1041891 ER Pathway Model, Antagonist AC50 16.4467606504509 uM C(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmethane 101-81-5|Diphenylmethane|(phenylmethyl)benzene|1,1-Methylenebisbenzene|1,1'-dimethylenebis(benzene)|1,1'-Methylenebis[benzene]|1,1'-methylenebisbenzene|AI3-28021-X|alpha-phenyltoluene|Benzene, (phenylmethyl)-|Benzene, 1,1'-methylenebis-|Benzene, benzyl-|Benzylbenzene|difenilmetano|DIPHENYL METHANE|Diphenylmethan|ditan|EINECS 202-978-6|Methane, diphenyl-|NSC 4708|Toluene, alpha-phenyl-|UNII-K3E387I0BC https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041891
ERPathway2016 ERPathway2016_336 Diphenylmethane 101-81-5 DTXSID1041891 ER Pathway Model, Antagonist ACC 15.1816628236666 uM C(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmethane 101-81-5|Diphenylmethane|(phenylmethyl)benzene|1,1-Methylenebisbenzene|1,1'-dimethylenebis(benzene)|1,1'-Methylenebis[benzene]|1,1'-methylenebisbenzene|AI3-28021-X|alpha-phenyltoluene|Benzene, (phenylmethyl)-|Benzene, 1,1'-methylenebis-|Benzene, benzyl-|Benzylbenzene|difenilmetano|DIPHENYL METHANE|Diphenylmethan|ditan|EINECS 202-978-6|Methane, diphenyl-|NSC 4708|Toluene, alpha-phenyl-|UNII-K3E387I0BC https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041891
ERPathway2016 ERPathway2016_336 Diphenylmethane 101-81-5 DTXSID1041891 ER Pathway Model, Agonist Model Score 0.0207 Unitless C(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmethane 101-81-5|Diphenylmethane|(phenylmethyl)benzene|1,1-Methylenebisbenzene|1,1'-dimethylenebis(benzene)|1,1'-Methylenebis[benzene]|1,1'-methylenebisbenzene|AI3-28021-X|alpha-phenyltoluene|Benzene, (phenylmethyl)-|Benzene, 1,1'-methylenebis-|Benzene, benzyl-|Benzylbenzene|difenilmetano|DIPHENYL METHANE|Diphenylmethan|ditan|EINECS 202-978-6|Methane, diphenyl-|NSC 4708|Toluene, alpha-phenyl-|UNII-K3E387I0BC https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041891
ERPathway2016 ERPathway2016_336 Diphenylmethane 101-81-5 DTXSID1041891 ER Pathway Model, Antagonist Model Score 0 Unitless C(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmethane 101-81-5|Diphenylmethane|(phenylmethyl)benzene|1,1-Methylenebisbenzene|1,1'-dimethylenebis(benzene)|1,1'-Methylenebis[benzene]|1,1'-methylenebisbenzene|AI3-28021-X|alpha-phenyltoluene|Benzene, (phenylmethyl)-|Benzene, 1,1'-methylenebis-|Benzene, benzyl-|Benzylbenzene|difenilmetano|DIPHENYL METHANE|Diphenylmethan|ditan|EINECS 202-978-6|Methane, diphenyl-|NSC 4708|Toluene, alpha-phenyl-|UNII-K3E387I0BC https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041891
ERPathway2016 ERPathway2016_336 Diphenylmethane 101-81-5 DTXSID1041891 ER Pathway Model, Agonist Call Inactive Unitless C(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmethane 101-81-5|Diphenylmethane|(phenylmethyl)benzene|1,1-Methylenebisbenzene|1,1'-dimethylenebis(benzene)|1,1'-Methylenebis[benzene]|1,1'-methylenebisbenzene|AI3-28021-X|alpha-phenyltoluene|Benzene, (phenylmethyl)-|Benzene, 1,1'-methylenebis-|Benzene, benzyl-|Benzylbenzene|difenilmetano|DIPHENYL METHANE|Diphenylmethan|ditan|EINECS 202-978-6|Methane, diphenyl-|NSC 4708|Toluene, alpha-phenyl-|UNII-K3E387I0BC https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041891
ERPathway2016 ERPathway2016_336 Diphenylmethane 101-81-5 DTXSID1041891 ER Pathway Model, Antagonist Call Active Unitless C(C1=CC=CC=C1)C1=CC=CC=C1 Diphenylmethane 101-81-5|Diphenylmethane|(phenylmethyl)benzene|1,1-Methylenebisbenzene|1,1'-dimethylenebis(benzene)|1,1'-Methylenebis[benzene]|1,1'-methylenebisbenzene|AI3-28021-X|alpha-phenyltoluene|Benzene, (phenylmethyl)-|Benzene, 1,1'-methylenebis-|Benzene, benzyl-|Benzylbenzene|difenilmetano|DIPHENYL METHANE|Diphenylmethan|ditan|EINECS 202-978-6|Methane, diphenyl-|NSC 4708|Toluene, alpha-phenyl-|UNII-K3E387I0BC https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041891
ARPathway2016 ARPathway2016_804 Dipropyl 2,5-pyridinedicarboxylate 136-45-8 DTXSID8032544 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCOC(=O)C1=CC=C(N=C1)C(=O)OCCC Dipropyl 2,5-pyridinedicarboxylate 136-45-8|Dipropyl 2,5-pyridinedicarboxylate|2,5-Pyridinedicarboxylic acid, 2,5-dipropyl ester|2,5-Pyridinedicarboxylic acid, dipropyl ester|4-22-00-01633|BRN 0229600|Caswell No. 400|Di-n-propyl 2,5-pyridinedicarboxylate|Di-n-propyl isocinchomeronate|Di-n-propyl-isocinchomeronate|Di-propylisocinchomeronate|Dipropyl isocinchomeronate|dipropyl pyridine-2,5-dicarboxylate|Dipropylester kyseliny pyridin-2,5-dikarboxylove|Dipropylpyridin-2,5-dicarboxylat|EINECS 205-245-9|ENT 17595|EPA Pesticide Chemical Code 047201|Isocinchomeronic acid dipropyl ester|Isocinchomeronic acid, dipropyl ester|MGK 326|MGK Repellent 326|MGK-R 326|NSC 22364|piridina-2,5-dicarboxilato de dipropilo|Pyridin-2,5-dicarbonsaeure-di-n-propylester|Pyridine-2,5-dicarboxylate de dipropyle|R 326|Repel 333|UNII-O572Q51ABJ|114308-72-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032544 https://doi.org/10.22427/NTP-DATA-DTXSID8032544
ARPathway2016 ARPathway2016_804 Dipropyl 2,5-pyridinedicarboxylate 136-45-8 DTXSID8032544 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCOC(=O)C1=CC=C(N=C1)C(=O)OCCC Dipropyl 2,5-pyridinedicarboxylate 136-45-8|Dipropyl 2,5-pyridinedicarboxylate|2,5-Pyridinedicarboxylic acid, 2,5-dipropyl ester|2,5-Pyridinedicarboxylic acid, dipropyl ester|4-22-00-01633|BRN 0229600|Caswell No. 400|Di-n-propyl 2,5-pyridinedicarboxylate|Di-n-propyl isocinchomeronate|Di-n-propyl-isocinchomeronate|Di-propylisocinchomeronate|Dipropyl isocinchomeronate|dipropyl pyridine-2,5-dicarboxylate|Dipropylester kyseliny pyridin-2,5-dikarboxylove|Dipropylpyridin-2,5-dicarboxylat|EINECS 205-245-9|ENT 17595|EPA Pesticide Chemical Code 047201|Isocinchomeronic acid dipropyl ester|Isocinchomeronic acid, dipropyl ester|MGK 326|MGK Repellent 326|MGK-R 326|NSC 22364|piridina-2,5-dicarboxilato de dipropilo|Pyridin-2,5-dicarbonsaeure-di-n-propylester|Pyridine-2,5-dicarboxylate de dipropyle|R 326|Repel 333|UNII-O572Q51ABJ|114308-72-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032544 https://doi.org/10.22427/NTP-DATA-DTXSID8032544
ARPathway2016 ARPathway2016_804 Dipropyl 2,5-pyridinedicarboxylate 136-45-8 DTXSID8032544 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCOC(=O)C1=CC=C(N=C1)C(=O)OCCC Dipropyl 2,5-pyridinedicarboxylate 136-45-8|Dipropyl 2,5-pyridinedicarboxylate|2,5-Pyridinedicarboxylic acid, 2,5-dipropyl ester|2,5-Pyridinedicarboxylic acid, dipropyl ester|4-22-00-01633|BRN 0229600|Caswell No. 400|Di-n-propyl 2,5-pyridinedicarboxylate|Di-n-propyl isocinchomeronate|Di-n-propyl-isocinchomeronate|Di-propylisocinchomeronate|Dipropyl isocinchomeronate|dipropyl pyridine-2,5-dicarboxylate|Dipropylester kyseliny pyridin-2,5-dikarboxylove|Dipropylpyridin-2,5-dicarboxylat|EINECS 205-245-9|ENT 17595|EPA Pesticide Chemical Code 047201|Isocinchomeronic acid dipropyl ester|Isocinchomeronic acid, dipropyl ester|MGK 326|MGK Repellent 326|MGK-R 326|NSC 22364|piridina-2,5-dicarboxilato de dipropilo|Pyridin-2,5-dicarbonsaeure-di-n-propylester|Pyridine-2,5-dicarboxylate de dipropyle|R 326|Repel 333|UNII-O572Q51ABJ|114308-72-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032544 https://doi.org/10.22427/NTP-DATA-DTXSID8032544
ARPathway2016 ARPathway2016_804 Dipropyl 2,5-pyridinedicarboxylate 136-45-8 DTXSID8032544 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCOC(=O)C1=CC=C(N=C1)C(=O)OCCC Dipropyl 2,5-pyridinedicarboxylate 136-45-8|Dipropyl 2,5-pyridinedicarboxylate|2,5-Pyridinedicarboxylic acid, 2,5-dipropyl ester|2,5-Pyridinedicarboxylic acid, dipropyl ester|4-22-00-01633|BRN 0229600|Caswell No. 400|Di-n-propyl 2,5-pyridinedicarboxylate|Di-n-propyl isocinchomeronate|Di-n-propyl-isocinchomeronate|Di-propylisocinchomeronate|Dipropyl isocinchomeronate|dipropyl pyridine-2,5-dicarboxylate|Dipropylester kyseliny pyridin-2,5-dikarboxylove|Dipropylpyridin-2,5-dicarboxylat|EINECS 205-245-9|ENT 17595|EPA Pesticide Chemical Code 047201|Isocinchomeronic acid dipropyl ester|Isocinchomeronic acid, dipropyl ester|MGK 326|MGK Repellent 326|MGK-R 326|NSC 22364|piridina-2,5-dicarboxilato de dipropilo|Pyridin-2,5-dicarbonsaeure-di-n-propylester|Pyridine-2,5-dicarboxylate de dipropyle|R 326|Repel 333|UNII-O572Q51ABJ|114308-72-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032544 https://doi.org/10.22427/NTP-DATA-DTXSID8032544
ERPathway2016 ERPathway2016_1283 Dipropyl 2,5-pyridinedicarboxylate 136-45-8 DTXSID8032544 ER Pathway Model, Agonist Model Score 0 Unitless CCCOC(=O)C1=CC=C(N=C1)C(=O)OCCC Dipropyl 2,5-pyridinedicarboxylate 136-45-8|Dipropyl 2,5-pyridinedicarboxylate|2,5-Pyridinedicarboxylic acid, 2,5-dipropyl ester|2,5-Pyridinedicarboxylic acid, dipropyl ester|4-22-00-01633|BRN 0229600|Caswell No. 400|Di-n-propyl 2,5-pyridinedicarboxylate|Di-n-propyl isocinchomeronate|Di-n-propyl-isocinchomeronate|Di-propylisocinchomeronate|Dipropyl isocinchomeronate|dipropyl pyridine-2,5-dicarboxylate|Dipropylester kyseliny pyridin-2,5-dikarboxylove|Dipropylpyridin-2,5-dicarboxylat|EINECS 205-245-9|ENT 17595|EPA Pesticide Chemical Code 047201|Isocinchomeronic acid dipropyl ester|Isocinchomeronic acid, dipropyl ester|MGK 326|MGK Repellent 326|MGK-R 326|NSC 22364|piridina-2,5-dicarboxilato de dipropilo|Pyridin-2,5-dicarbonsaeure-di-n-propylester|Pyridine-2,5-dicarboxylate de dipropyle|R 326|Repel 333|UNII-O572Q51ABJ|114308-72-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032544 https://doi.org/10.22427/NTP-DATA-DTXSID8032544
ERPathway2016 ERPathway2016_1283 Dipropyl 2,5-pyridinedicarboxylate 136-45-8 DTXSID8032544 ER Pathway Model, Antagonist Model Score 0 Unitless CCCOC(=O)C1=CC=C(N=C1)C(=O)OCCC Dipropyl 2,5-pyridinedicarboxylate 136-45-8|Dipropyl 2,5-pyridinedicarboxylate|2,5-Pyridinedicarboxylic acid, 2,5-dipropyl ester|2,5-Pyridinedicarboxylic acid, dipropyl ester|4-22-00-01633|BRN 0229600|Caswell No. 400|Di-n-propyl 2,5-pyridinedicarboxylate|Di-n-propyl isocinchomeronate|Di-n-propyl-isocinchomeronate|Di-propylisocinchomeronate|Dipropyl isocinchomeronate|dipropyl pyridine-2,5-dicarboxylate|Dipropylester kyseliny pyridin-2,5-dikarboxylove|Dipropylpyridin-2,5-dicarboxylat|EINECS 205-245-9|ENT 17595|EPA Pesticide Chemical Code 047201|Isocinchomeronic acid dipropyl ester|Isocinchomeronic acid, dipropyl ester|MGK 326|MGK Repellent 326|MGK-R 326|NSC 22364|piridina-2,5-dicarboxilato de dipropilo|Pyridin-2,5-dicarbonsaeure-di-n-propylester|Pyridine-2,5-dicarboxylate de dipropyle|R 326|Repel 333|UNII-O572Q51ABJ|114308-72-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032544 https://doi.org/10.22427/NTP-DATA-DTXSID8032544
ERPathway2016 ERPathway2016_1283 Dipropyl 2,5-pyridinedicarboxylate 136-45-8 DTXSID8032544 ER Pathway Model, Agonist Call Inactive Unitless CCCOC(=O)C1=CC=C(N=C1)C(=O)OCCC Dipropyl 2,5-pyridinedicarboxylate 136-45-8|Dipropyl 2,5-pyridinedicarboxylate|2,5-Pyridinedicarboxylic acid, 2,5-dipropyl ester|2,5-Pyridinedicarboxylic acid, dipropyl ester|4-22-00-01633|BRN 0229600|Caswell No. 400|Di-n-propyl 2,5-pyridinedicarboxylate|Di-n-propyl isocinchomeronate|Di-n-propyl-isocinchomeronate|Di-propylisocinchomeronate|Dipropyl isocinchomeronate|dipropyl pyridine-2,5-dicarboxylate|Dipropylester kyseliny pyridin-2,5-dikarboxylove|Dipropylpyridin-2,5-dicarboxylat|EINECS 205-245-9|ENT 17595|EPA Pesticide Chemical Code 047201|Isocinchomeronic acid dipropyl ester|Isocinchomeronic acid, dipropyl ester|MGK 326|MGK Repellent 326|MGK-R 326|NSC 22364|piridina-2,5-dicarboxilato de dipropilo|Pyridin-2,5-dicarbonsaeure-di-n-propylester|Pyridine-2,5-dicarboxylate de dipropyle|R 326|Repel 333|UNII-O572Q51ABJ|114308-72-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032544 https://doi.org/10.22427/NTP-DATA-DTXSID8032544
ERPathway2016 ERPathway2016_1283 Dipropyl 2,5-pyridinedicarboxylate 136-45-8 DTXSID8032544 ER Pathway Model, Antagonist Call Inactive Unitless CCCOC(=O)C1=CC=C(N=C1)C(=O)OCCC Dipropyl 2,5-pyridinedicarboxylate 136-45-8|Dipropyl 2,5-pyridinedicarboxylate|2,5-Pyridinedicarboxylic acid, 2,5-dipropyl ester|2,5-Pyridinedicarboxylic acid, dipropyl ester|4-22-00-01633|BRN 0229600|Caswell No. 400|Di-n-propyl 2,5-pyridinedicarboxylate|Di-n-propyl isocinchomeronate|Di-n-propyl-isocinchomeronate|Di-propylisocinchomeronate|Dipropyl isocinchomeronate|dipropyl pyridine-2,5-dicarboxylate|Dipropylester kyseliny pyridin-2,5-dikarboxylove|Dipropylpyridin-2,5-dicarboxylat|EINECS 205-245-9|ENT 17595|EPA Pesticide Chemical Code 047201|Isocinchomeronic acid dipropyl ester|Isocinchomeronic acid, dipropyl ester|MGK 326|MGK Repellent 326|MGK-R 326|NSC 22364|piridina-2,5-dicarboxilato de dipropilo|Pyridin-2,5-dicarbonsaeure-di-n-propylester|Pyridine-2,5-dicarboxylate de dipropyle|R 326|Repel 333|UNII-O572Q51ABJ|114308-72-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032544 https://doi.org/10.22427/NTP-DATA-DTXSID8032544
ARPathway2016 ARPathway2016_1049 Dipropylene glycol 25265-71-8 DTXSID0027856 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C*.C*.OCCOCCO |lp:4:2,7:2,10:2,m:1:5.6,3:8.9| Dipropylene glycol 25265-71-8|Dipropylene glycol|1,1'-Oxybis(2-propanol)|4-Oxa-2,6-heptandiol|ADK DPG-RF|Caswell No. 399E|DIPROPYLENEGLYCOL|DIPROPYLENGLYKOL|Dowanol DPG|EINECS 246-770-3|EPA Pesticide Chemical Code 068604|oxidipropanol|Oxybispropanol|Oxydipropanol|Propanol, oxybis-|UNII-E107L85C40|25322-23-0|27941-90-8|27941-91-9|28678-26-4|30370-61-7|75047-14-2|78644-49-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027856 https://doi.org/10.22427/NTP-DATA-DTXSID0027856
ARPathway2016 ARPathway2016_1049 Dipropylene glycol 25265-71-8 DTXSID0027856 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C*.C*.OCCOCCO |lp:4:2,7:2,10:2,m:1:5.6,3:8.9| Dipropylene glycol 25265-71-8|Dipropylene glycol|1,1'-Oxybis(2-propanol)|4-Oxa-2,6-heptandiol|ADK DPG-RF|Caswell No. 399E|DIPROPYLENEGLYCOL|DIPROPYLENGLYKOL|Dowanol DPG|EINECS 246-770-3|EPA Pesticide Chemical Code 068604|oxidipropanol|Oxybispropanol|Oxydipropanol|Propanol, oxybis-|UNII-E107L85C40|25322-23-0|27941-90-8|27941-91-9|28678-26-4|30370-61-7|75047-14-2|78644-49-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027856 https://doi.org/10.22427/NTP-DATA-DTXSID0027856
ARPathway2016 ARPathway2016_1049 Dipropylene glycol 25265-71-8 DTXSID0027856 0.0 AR Pathway Model, Agonist Call Inactive Unitless C*.C*.OCCOCCO |lp:4:2,7:2,10:2,m:1:5.6,3:8.9| Dipropylene glycol 25265-71-8|Dipropylene glycol|1,1'-Oxybis(2-propanol)|4-Oxa-2,6-heptandiol|ADK DPG-RF|Caswell No. 399E|DIPROPYLENEGLYCOL|DIPROPYLENGLYKOL|Dowanol DPG|EINECS 246-770-3|EPA Pesticide Chemical Code 068604|oxidipropanol|Oxybispropanol|Oxydipropanol|Propanol, oxybis-|UNII-E107L85C40|25322-23-0|27941-90-8|27941-91-9|28678-26-4|30370-61-7|75047-14-2|78644-49-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027856 https://doi.org/10.22427/NTP-DATA-DTXSID0027856
ARPathway2016 ARPathway2016_1049 Dipropylene glycol 25265-71-8 DTXSID0027856 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C*.C*.OCCOCCO |lp:4:2,7:2,10:2,m:1:5.6,3:8.9| Dipropylene glycol 25265-71-8|Dipropylene glycol|1,1'-Oxybis(2-propanol)|4-Oxa-2,6-heptandiol|ADK DPG-RF|Caswell No. 399E|DIPROPYLENEGLYCOL|DIPROPYLENGLYKOL|Dowanol DPG|EINECS 246-770-3|EPA Pesticide Chemical Code 068604|oxidipropanol|Oxybispropanol|Oxydipropanol|Propanol, oxybis-|UNII-E107L85C40|25322-23-0|27941-90-8|27941-91-9|28678-26-4|30370-61-7|75047-14-2|78644-49-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027856 https://doi.org/10.22427/NTP-DATA-DTXSID0027856
ERPathway2016 ERPathway2016_1401 Dipropylene glycol 25265-71-8 DTXSID0027856 ER Pathway Model, Agonist Model Score 0 Unitless C*.C*.OCCOCCO |lp:4:2,7:2,10:2,m:1:5.6,3:8.9| Dipropylene glycol 25265-71-8|Dipropylene glycol|1,1'-Oxybis(2-propanol)|4-Oxa-2,6-heptandiol|ADK DPG-RF|Caswell No. 399E|DIPROPYLENEGLYCOL|DIPROPYLENGLYKOL|Dowanol DPG|EINECS 246-770-3|EPA Pesticide Chemical Code 068604|oxidipropanol|Oxybispropanol|Oxydipropanol|Propanol, oxybis-|UNII-E107L85C40|25322-23-0|27941-90-8|27941-91-9|28678-26-4|30370-61-7|75047-14-2|78644-49-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027856 https://doi.org/10.22427/NTP-DATA-DTXSID0027856
ERPathway2016 ERPathway2016_1401 Dipropylene glycol 25265-71-8 DTXSID0027856 ER Pathway Model, Antagonist Model Score 0 Unitless C*.C*.OCCOCCO |lp:4:2,7:2,10:2,m:1:5.6,3:8.9| Dipropylene glycol 25265-71-8|Dipropylene glycol|1,1'-Oxybis(2-propanol)|4-Oxa-2,6-heptandiol|ADK DPG-RF|Caswell No. 399E|DIPROPYLENEGLYCOL|DIPROPYLENGLYKOL|Dowanol DPG|EINECS 246-770-3|EPA Pesticide Chemical Code 068604|oxidipropanol|Oxybispropanol|Oxydipropanol|Propanol, oxybis-|UNII-E107L85C40|25322-23-0|27941-90-8|27941-91-9|28678-26-4|30370-61-7|75047-14-2|78644-49-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027856 https://doi.org/10.22427/NTP-DATA-DTXSID0027856
ERPathway2016 ERPathway2016_1401 Dipropylene glycol 25265-71-8 DTXSID0027856 ER Pathway Model, Agonist Call Inactive Unitless C*.C*.OCCOCCO |lp:4:2,7:2,10:2,m:1:5.6,3:8.9| Dipropylene glycol 25265-71-8|Dipropylene glycol|1,1'-Oxybis(2-propanol)|4-Oxa-2,6-heptandiol|ADK DPG-RF|Caswell No. 399E|DIPROPYLENEGLYCOL|DIPROPYLENGLYKOL|Dowanol DPG|EINECS 246-770-3|EPA Pesticide Chemical Code 068604|oxidipropanol|Oxybispropanol|Oxydipropanol|Propanol, oxybis-|UNII-E107L85C40|25322-23-0|27941-90-8|27941-91-9|28678-26-4|30370-61-7|75047-14-2|78644-49-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027856 https://doi.org/10.22427/NTP-DATA-DTXSID0027856
ERPathway2016 ERPathway2016_1401 Dipropylene glycol 25265-71-8 DTXSID0027856 ER Pathway Model, Antagonist Call Inactive Unitless C*.C*.OCCOCCO |lp:4:2,7:2,10:2,m:1:5.6,3:8.9| Dipropylene glycol 25265-71-8|Dipropylene glycol|1,1'-Oxybis(2-propanol)|4-Oxa-2,6-heptandiol|ADK DPG-RF|Caswell No. 399E|DIPROPYLENEGLYCOL|DIPROPYLENGLYKOL|Dowanol DPG|EINECS 246-770-3|EPA Pesticide Chemical Code 068604|oxidipropanol|Oxybispropanol|Oxydipropanol|Propanol, oxybis-|UNII-E107L85C40|25322-23-0|27941-90-8|27941-91-9|28678-26-4|30370-61-7|75047-14-2|78644-49-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027856 https://doi.org/10.22427/NTP-DATA-DTXSID0027856
ARPathway2016 ARPathway2016_1161 Dipropylene glycol monomethyl ether 34590-94-8 DTXSID0027983 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless C*.C*.COCCOCCO |lp:5:2,8:2,11:2,m:1:6.7,3:9.10| Dipropylene glycol monomethyl ether 34590-94-8|Dipropylene glycol monomethyl ether|(2-Methoxymethylethoxy)propanol|(metil-2-metoxietoxi)propanol|2-METHOXYMETHYLETHOXYPROPANOL|Arcosolv DPM|DGME|Dipropylene glycol methyl ether|DIPROPYLENE GLYCOL MONO ETHYL|DIPROPYLENGLYKOL-MONOMETHYLAETHER|Dowanol DPM|Dowanol-50B|DPGME|DPM|DPM glycol ether|EINECS 252-104-2|Forguard M|Glysolv DPM|Kino-red|Methoxypropoxypropanol|Methyl Dipropasol|METHYL DIPROPYLENE GLYCOL ETHER|Methyl Propylene Di Glycol|Oxybispropanol methyl ether|PPG-2 methyl ether|Propanol, (2-methoxymethylethoxy)-|Propanol, 1(or 2)-(2-methoxymethylethoxy)-|Propanol, 1(or2)-(2-methoxymethylethoxy)-|PROPANOL, 2-(METHOXYMETHYLETHOXY)-|Ucar solvent 2LM|UNII-RQ1X8FMQ9N|104512-57-4|112388-78-0|12002-25-4|12002-35-6|197632-43-2|83730-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027983
ARPathway2016 ARPathway2016_1161 Dipropylene glycol monomethyl ether 34590-94-8 DTXSID0027983 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless C*.C*.COCCOCCO |lp:5:2,8:2,11:2,m:1:6.7,3:9.10| Dipropylene glycol monomethyl ether 34590-94-8|Dipropylene glycol monomethyl ether|(2-Methoxymethylethoxy)propanol|(metil-2-metoxietoxi)propanol|2-METHOXYMETHYLETHOXYPROPANOL|Arcosolv DPM|DGME|Dipropylene glycol methyl ether|DIPROPYLENE GLYCOL MONO ETHYL|DIPROPYLENGLYKOL-MONOMETHYLAETHER|Dowanol DPM|Dowanol-50B|DPGME|DPM|DPM glycol ether|EINECS 252-104-2|Forguard M|Glysolv DPM|Kino-red|Methoxypropoxypropanol|Methyl Dipropasol|METHYL DIPROPYLENE GLYCOL ETHER|Methyl Propylene Di Glycol|Oxybispropanol methyl ether|PPG-2 methyl ether|Propanol, (2-methoxymethylethoxy)-|Propanol, 1(or 2)-(2-methoxymethylethoxy)-|Propanol, 1(or2)-(2-methoxymethylethoxy)-|PROPANOL, 2-(METHOXYMETHYLETHOXY)-|Ucar solvent 2LM|UNII-RQ1X8FMQ9N|104512-57-4|112388-78-0|12002-25-4|12002-35-6|197632-43-2|83730-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027983
ARPathway2016 ARPathway2016_1161 Dipropylene glycol monomethyl ether 34590-94-8 DTXSID0027983 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Inactive Unitless C*.C*.COCCOCCO |lp:5:2,8:2,11:2,m:1:6.7,3:9.10| Dipropylene glycol monomethyl ether 34590-94-8|Dipropylene glycol monomethyl ether|(2-Methoxymethylethoxy)propanol|(metil-2-metoxietoxi)propanol|2-METHOXYMETHYLETHOXYPROPANOL|Arcosolv DPM|DGME|Dipropylene glycol methyl ether|DIPROPYLENE GLYCOL MONO ETHYL|DIPROPYLENGLYKOL-MONOMETHYLAETHER|Dowanol DPM|Dowanol-50B|DPGME|DPM|DPM glycol ether|EINECS 252-104-2|Forguard M|Glysolv DPM|Kino-red|Methoxypropoxypropanol|Methyl Dipropasol|METHYL DIPROPYLENE GLYCOL ETHER|Methyl Propylene Di Glycol|Oxybispropanol methyl ether|PPG-2 methyl ether|Propanol, (2-methoxymethylethoxy)-|Propanol, 1(or 2)-(2-methoxymethylethoxy)-|Propanol, 1(or2)-(2-methoxymethylethoxy)-|PROPANOL, 2-(METHOXYMETHYLETHOXY)-|Ucar solvent 2LM|UNII-RQ1X8FMQ9N|104512-57-4|112388-78-0|12002-25-4|12002-35-6|197632-43-2|83730-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027983
ARPathway2016 ARPathway2016_1161 Dipropylene glycol monomethyl ether 34590-94-8 DTXSID0027983 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless C*.C*.COCCOCCO |lp:5:2,8:2,11:2,m:1:6.7,3:9.10| Dipropylene glycol monomethyl ether 34590-94-8|Dipropylene glycol monomethyl ether|(2-Methoxymethylethoxy)propanol|(metil-2-metoxietoxi)propanol|2-METHOXYMETHYLETHOXYPROPANOL|Arcosolv DPM|DGME|Dipropylene glycol methyl ether|DIPROPYLENE GLYCOL MONO ETHYL|DIPROPYLENGLYKOL-MONOMETHYLAETHER|Dowanol DPM|Dowanol-50B|DPGME|DPM|DPM glycol ether|EINECS 252-104-2|Forguard M|Glysolv DPM|Kino-red|Methoxypropoxypropanol|Methyl Dipropasol|METHYL DIPROPYLENE GLYCOL ETHER|Methyl Propylene Di Glycol|Oxybispropanol methyl ether|PPG-2 methyl ether|Propanol, (2-methoxymethylethoxy)-|Propanol, 1(or 2)-(2-methoxymethylethoxy)-|Propanol, 1(or2)-(2-methoxymethylethoxy)-|PROPANOL, 2-(METHOXYMETHYLETHOXY)-|Ucar solvent 2LM|UNII-RQ1X8FMQ9N|104512-57-4|112388-78-0|12002-25-4|12002-35-6|197632-43-2|83730-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027983
ERPathway2016 ERPathway2016_1461 Dipropylene glycol monomethyl ether 34590-94-8 DTXSID0027983 ER Pathway Model, Agonist Model Score 0 Unitless C*.C*.COCCOCCO |lp:5:2,8:2,11:2,m:1:6.7,3:9.10| Dipropylene glycol monomethyl ether 34590-94-8|Dipropylene glycol monomethyl ether|(2-Methoxymethylethoxy)propanol|(metil-2-metoxietoxi)propanol|2-METHOXYMETHYLETHOXYPROPANOL|Arcosolv DPM|DGME|Dipropylene glycol methyl ether|DIPROPYLENE GLYCOL MONO ETHYL|DIPROPYLENGLYKOL-MONOMETHYLAETHER|Dowanol DPM|Dowanol-50B|DPGME|DPM|DPM glycol ether|EINECS 252-104-2|Forguard M|Glysolv DPM|Kino-red|Methoxypropoxypropanol|Methyl Dipropasol|METHYL DIPROPYLENE GLYCOL ETHER|Methyl Propylene Di Glycol|Oxybispropanol methyl ether|PPG-2 methyl ether|Propanol, (2-methoxymethylethoxy)-|Propanol, 1(or 2)-(2-methoxymethylethoxy)-|Propanol, 1(or2)-(2-methoxymethylethoxy)-|PROPANOL, 2-(METHOXYMETHYLETHOXY)-|Ucar solvent 2LM|UNII-RQ1X8FMQ9N|104512-57-4|112388-78-0|12002-25-4|12002-35-6|197632-43-2|83730-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027983
ERPathway2016 ERPathway2016_1461 Dipropylene glycol monomethyl ether 34590-94-8 DTXSID0027983 ER Pathway Model, Antagonist Model Score 0 Unitless C*.C*.COCCOCCO |lp:5:2,8:2,11:2,m:1:6.7,3:9.10| Dipropylene glycol monomethyl ether 34590-94-8|Dipropylene glycol monomethyl ether|(2-Methoxymethylethoxy)propanol|(metil-2-metoxietoxi)propanol|2-METHOXYMETHYLETHOXYPROPANOL|Arcosolv DPM|DGME|Dipropylene glycol methyl ether|DIPROPYLENE GLYCOL MONO ETHYL|DIPROPYLENGLYKOL-MONOMETHYLAETHER|Dowanol DPM|Dowanol-50B|DPGME|DPM|DPM glycol ether|EINECS 252-104-2|Forguard M|Glysolv DPM|Kino-red|Methoxypropoxypropanol|Methyl Dipropasol|METHYL DIPROPYLENE GLYCOL ETHER|Methyl Propylene Di Glycol|Oxybispropanol methyl ether|PPG-2 methyl ether|Propanol, (2-methoxymethylethoxy)-|Propanol, 1(or 2)-(2-methoxymethylethoxy)-|Propanol, 1(or2)-(2-methoxymethylethoxy)-|PROPANOL, 2-(METHOXYMETHYLETHOXY)-|Ucar solvent 2LM|UNII-RQ1X8FMQ9N|104512-57-4|112388-78-0|12002-25-4|12002-35-6|197632-43-2|83730-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027983
ERPathway2016 ERPathway2016_1461 Dipropylene glycol monomethyl ether 34590-94-8 DTXSID0027983 ER Pathway Model, Agonist Call Inactive Unitless C*.C*.COCCOCCO |lp:5:2,8:2,11:2,m:1:6.7,3:9.10| Dipropylene glycol monomethyl ether 34590-94-8|Dipropylene glycol monomethyl ether|(2-Methoxymethylethoxy)propanol|(metil-2-metoxietoxi)propanol|2-METHOXYMETHYLETHOXYPROPANOL|Arcosolv DPM|DGME|Dipropylene glycol methyl ether|DIPROPYLENE GLYCOL MONO ETHYL|DIPROPYLENGLYKOL-MONOMETHYLAETHER|Dowanol DPM|Dowanol-50B|DPGME|DPM|DPM glycol ether|EINECS 252-104-2|Forguard M|Glysolv DPM|Kino-red|Methoxypropoxypropanol|Methyl Dipropasol|METHYL DIPROPYLENE GLYCOL ETHER|Methyl Propylene Di Glycol|Oxybispropanol methyl ether|PPG-2 methyl ether|Propanol, (2-methoxymethylethoxy)-|Propanol, 1(or 2)-(2-methoxymethylethoxy)-|Propanol, 1(or2)-(2-methoxymethylethoxy)-|PROPANOL, 2-(METHOXYMETHYLETHOXY)-|Ucar solvent 2LM|UNII-RQ1X8FMQ9N|104512-57-4|112388-78-0|12002-25-4|12002-35-6|197632-43-2|83730-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027983
ERPathway2016 ERPathway2016_1461 Dipropylene glycol monomethyl ether 34590-94-8 DTXSID0027983 ER Pathway Model, Antagonist Call Inactive Unitless C*.C*.COCCOCCO |lp:5:2,8:2,11:2,m:1:6.7,3:9.10| Dipropylene glycol monomethyl ether 34590-94-8|Dipropylene glycol monomethyl ether|(2-Methoxymethylethoxy)propanol|(metil-2-metoxietoxi)propanol|2-METHOXYMETHYLETHOXYPROPANOL|Arcosolv DPM|DGME|Dipropylene glycol methyl ether|DIPROPYLENE GLYCOL MONO ETHYL|DIPROPYLENGLYKOL-MONOMETHYLAETHER|Dowanol DPM|Dowanol-50B|DPGME|DPM|DPM glycol ether|EINECS 252-104-2|Forguard M|Glysolv DPM|Kino-red|Methoxypropoxypropanol|Methyl Dipropasol|METHYL DIPROPYLENE GLYCOL ETHER|Methyl Propylene Di Glycol|Oxybispropanol methyl ether|PPG-2 methyl ether|Propanol, (2-methoxymethylethoxy)-|Propanol, 1(or 2)-(2-methoxymethylethoxy)-|Propanol, 1(or2)-(2-methoxymethylethoxy)-|PROPANOL, 2-(METHOXYMETHYLETHOXY)-|Ucar solvent 2LM|UNII-RQ1X8FMQ9N|104512-57-4|112388-78-0|12002-25-4|12002-35-6|197632-43-2|83730-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027983
ARPathway2016 ARPathway2016_135 Dipropylene glycol, dibenzoate 27138-31-4 DTXSID6027921 True antagonist shift (No hit/Hit) 4.0 A11 AR Pathway Model, Agonist AC50 0.0489840697824916 uM C*.C*.O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |c:15,17,22,24,t:13,20,lp:4:2,6:2,9:2,12:2,14:2,m:1:10.11,3:7.8| Dipropylene glycol, dibenzoate 27138-31-4|Dipropylene glycol, dibenzoate|Benzoflex 9-88|Benzoflex 9-88SG|Benzoflex 9-98|Benzoflex 9088|Dibenzoate d'oxydipropyle|dibenzoato de oxidipropilo|Dipropylene glycol dibenzoate|DIPROPYLENGLYKOL-DIBENZOAT|EINECS 248-258-5|Finsolv PG 22|K-Flex DP|Oxybispropanol dibenzoate|oxydipropyl dibenzoate|Oxydipropyldibenzoat|PPG 2 dibenzoate|Propanol, oxybis-, dibenzoate|31213-49-7|574011-46-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027921
ARPathway2016 ARPathway2016_135 Dipropylene glycol, dibenzoate 27138-31-4 DTXSID6027921 True antagonist shift (No hit/Hit) 4.0 A11 AR Pathway Model, Agonist ACC 0.0499030758542147 uM C*.C*.O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |c:15,17,22,24,t:13,20,lp:4:2,6:2,9:2,12:2,14:2,m:1:10.11,3:7.8| Dipropylene glycol, dibenzoate 27138-31-4|Dipropylene glycol, dibenzoate|Benzoflex 9-88|Benzoflex 9-88SG|Benzoflex 9-98|Benzoflex 9088|Dibenzoate d'oxydipropyle|dibenzoato de oxidipropilo|Dipropylene glycol dibenzoate|DIPROPYLENGLYKOL-DIBENZOAT|EINECS 248-258-5|Finsolv PG 22|K-Flex DP|Oxybispropanol dibenzoate|oxydipropyl dibenzoate|Oxydipropyldibenzoat|PPG 2 dibenzoate|Propanol, oxybis-, dibenzoate|31213-49-7|574011-46-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027921
ARPathway2016 ARPathway2016_135 Dipropylene glycol, dibenzoate 27138-31-4 DTXSID6027921 True antagonist shift (No hit/Hit) 4.0 A11 AR Pathway Model, Antagonist Model Score 0.0129 Unitless C*.C*.O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |c:15,17,22,24,t:13,20,lp:4:2,6:2,9:2,12:2,14:2,m:1:10.11,3:7.8| Dipropylene glycol, dibenzoate 27138-31-4|Dipropylene glycol, dibenzoate|Benzoflex 9-88|Benzoflex 9-88SG|Benzoflex 9-98|Benzoflex 9088|Dibenzoate d'oxydipropyle|dibenzoato de oxidipropilo|Dipropylene glycol dibenzoate|DIPROPYLENGLYKOL-DIBENZOAT|EINECS 248-258-5|Finsolv PG 22|K-Flex DP|Oxybispropanol dibenzoate|oxydipropyl dibenzoate|Oxydipropyldibenzoat|PPG 2 dibenzoate|Propanol, oxybis-, dibenzoate|31213-49-7|574011-46-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027921
ARPathway2016 ARPathway2016_135 Dipropylene glycol, dibenzoate 27138-31-4 DTXSID6027921 True antagonist shift (No hit/Hit) 4.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless C*.C*.O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |c:15,17,22,24,t:13,20,lp:4:2,6:2,9:2,12:2,14:2,m:1:10.11,3:7.8| Dipropylene glycol, dibenzoate 27138-31-4|Dipropylene glycol, dibenzoate|Benzoflex 9-88|Benzoflex 9-88SG|Benzoflex 9-98|Benzoflex 9088|Dibenzoate d'oxydipropyle|dibenzoato de oxidipropilo|Dipropylene glycol dibenzoate|DIPROPYLENGLYKOL-DIBENZOAT|EINECS 248-258-5|Finsolv PG 22|K-Flex DP|Oxybispropanol dibenzoate|oxydipropyl dibenzoate|Oxydipropyldibenzoat|PPG 2 dibenzoate|Propanol, oxybis-, dibenzoate|31213-49-7|574011-46-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027921
ARPathway2016 ARPathway2016_135 Dipropylene glycol, dibenzoate 27138-31-4 DTXSID6027921 True antagonist shift (No hit/Hit) 4.0 A11 AR Pathway Model, Agonist Call Active Unitless C*.C*.O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |c:15,17,22,24,t:13,20,lp:4:2,6:2,9:2,12:2,14:2,m:1:10.11,3:7.8| Dipropylene glycol, dibenzoate 27138-31-4|Dipropylene glycol, dibenzoate|Benzoflex 9-88|Benzoflex 9-88SG|Benzoflex 9-98|Benzoflex 9088|Dibenzoate d'oxydipropyle|dibenzoato de oxidipropilo|Dipropylene glycol dibenzoate|DIPROPYLENGLYKOL-DIBENZOAT|EINECS 248-258-5|Finsolv PG 22|K-Flex DP|Oxybispropanol dibenzoate|oxydipropyl dibenzoate|Oxydipropyldibenzoat|PPG 2 dibenzoate|Propanol, oxybis-, dibenzoate|31213-49-7|574011-46-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027921
ARPathway2016 ARPathway2016_135 Dipropylene glycol, dibenzoate 27138-31-4 DTXSID6027921 True antagonist shift (No hit/Hit) 4.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless C*.C*.O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |c:15,17,22,24,t:13,20,lp:4:2,6:2,9:2,12:2,14:2,m:1:10.11,3:7.8| Dipropylene glycol, dibenzoate 27138-31-4|Dipropylene glycol, dibenzoate|Benzoflex 9-88|Benzoflex 9-88SG|Benzoflex 9-98|Benzoflex 9088|Dibenzoate d'oxydipropyle|dibenzoato de oxidipropilo|Dipropylene glycol dibenzoate|DIPROPYLENGLYKOL-DIBENZOAT|EINECS 248-258-5|Finsolv PG 22|K-Flex DP|Oxybispropanol dibenzoate|oxydipropyl dibenzoate|Oxydipropyldibenzoat|PPG 2 dibenzoate|Propanol, oxybis-, dibenzoate|31213-49-7|574011-46-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027921
ERPathway2016 ERPathway2016_396 Dipropylene glycol, dibenzoate 27138-31-4 DTXSID6027921 A15 ER Pathway Model, Antagonist AC50 24.2288528709581 uM C*.C*.O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |c:15,17,22,24,t:13,20,lp:4:2,6:2,9:2,12:2,14:2,m:1:10.11,3:7.8| Dipropylene glycol, dibenzoate 27138-31-4|Dipropylene glycol, dibenzoate|Benzoflex 9-88|Benzoflex 9-88SG|Benzoflex 9-98|Benzoflex 9088|Dibenzoate d'oxydipropyle|dibenzoato de oxidipropilo|Dipropylene glycol dibenzoate|DIPROPYLENGLYKOL-DIBENZOAT|EINECS 248-258-5|Finsolv PG 22|K-Flex DP|Oxybispropanol dibenzoate|oxydipropyl dibenzoate|Oxydipropyldibenzoat|PPG 2 dibenzoate|Propanol, oxybis-, dibenzoate|31213-49-7|574011-46-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027921
ERPathway2016 ERPathway2016_396 Dipropylene glycol, dibenzoate 27138-31-4 DTXSID6027921 A15 ER Pathway Model, Antagonist ACC 26.0246762032241 uM C*.C*.O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |c:15,17,22,24,t:13,20,lp:4:2,6:2,9:2,12:2,14:2,m:1:10.11,3:7.8| Dipropylene glycol, dibenzoate 27138-31-4|Dipropylene glycol, dibenzoate|Benzoflex 9-88|Benzoflex 9-88SG|Benzoflex 9-98|Benzoflex 9088|Dibenzoate d'oxydipropyle|dibenzoato de oxidipropilo|Dipropylene glycol dibenzoate|DIPROPYLENGLYKOL-DIBENZOAT|EINECS 248-258-5|Finsolv PG 22|K-Flex DP|Oxybispropanol dibenzoate|oxydipropyl dibenzoate|Oxydipropyldibenzoat|PPG 2 dibenzoate|Propanol, oxybis-, dibenzoate|31213-49-7|574011-46-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027921
ERPathway2016 ERPathway2016_396 Dipropylene glycol, dibenzoate 27138-31-4 DTXSID6027921 A15 ER Pathway Model, Agonist Model Score 0.00955 Unitless C*.C*.O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |c:15,17,22,24,t:13,20,lp:4:2,6:2,9:2,12:2,14:2,m:1:10.11,3:7.8| Dipropylene glycol, dibenzoate 27138-31-4|Dipropylene glycol, dibenzoate|Benzoflex 9-88|Benzoflex 9-88SG|Benzoflex 9-98|Benzoflex 9088|Dibenzoate d'oxydipropyle|dibenzoato de oxidipropilo|Dipropylene glycol dibenzoate|DIPROPYLENGLYKOL-DIBENZOAT|EINECS 248-258-5|Finsolv PG 22|K-Flex DP|Oxybispropanol dibenzoate|oxydipropyl dibenzoate|Oxydipropyldibenzoat|PPG 2 dibenzoate|Propanol, oxybis-, dibenzoate|31213-49-7|574011-46-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027921
ERPathway2016 ERPathway2016_396 Dipropylene glycol, dibenzoate 27138-31-4 DTXSID6027921 A15 ER Pathway Model, Antagonist Model Score 0 Unitless C*.C*.O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |c:15,17,22,24,t:13,20,lp:4:2,6:2,9:2,12:2,14:2,m:1:10.11,3:7.8| Dipropylene glycol, dibenzoate 27138-31-4|Dipropylene glycol, dibenzoate|Benzoflex 9-88|Benzoflex 9-88SG|Benzoflex 9-98|Benzoflex 9088|Dibenzoate d'oxydipropyle|dibenzoato de oxidipropilo|Dipropylene glycol dibenzoate|DIPROPYLENGLYKOL-DIBENZOAT|EINECS 248-258-5|Finsolv PG 22|K-Flex DP|Oxybispropanol dibenzoate|oxydipropyl dibenzoate|Oxydipropyldibenzoat|PPG 2 dibenzoate|Propanol, oxybis-, dibenzoate|31213-49-7|574011-46-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027921
ERPathway2016 ERPathway2016_396 Dipropylene glycol, dibenzoate 27138-31-4 DTXSID6027921 A15 ER Pathway Model, Agonist Call Inactive Unitless C*.C*.O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |c:15,17,22,24,t:13,20,lp:4:2,6:2,9:2,12:2,14:2,m:1:10.11,3:7.8| Dipropylene glycol, dibenzoate 27138-31-4|Dipropylene glycol, dibenzoate|Benzoflex 9-88|Benzoflex 9-88SG|Benzoflex 9-98|Benzoflex 9088|Dibenzoate d'oxydipropyle|dibenzoato de oxidipropilo|Dipropylene glycol dibenzoate|DIPROPYLENGLYKOL-DIBENZOAT|EINECS 248-258-5|Finsolv PG 22|K-Flex DP|Oxybispropanol dibenzoate|oxydipropyl dibenzoate|Oxydipropyldibenzoat|PPG 2 dibenzoate|Propanol, oxybis-, dibenzoate|31213-49-7|574011-46-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027921
ERPathway2016 ERPathway2016_396 Dipropylene glycol, dibenzoate 27138-31-4 DTXSID6027921 A15 ER Pathway Model, Antagonist Call Active Unitless C*.C*.O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |c:15,17,22,24,t:13,20,lp:4:2,6:2,9:2,12:2,14:2,m:1:10.11,3:7.8| Dipropylene glycol, dibenzoate 27138-31-4|Dipropylene glycol, dibenzoate|Benzoflex 9-88|Benzoflex 9-88SG|Benzoflex 9-98|Benzoflex 9088|Dibenzoate d'oxydipropyle|dibenzoato de oxidipropilo|Dipropylene glycol dibenzoate|DIPROPYLENGLYKOL-DIBENZOAT|EINECS 248-258-5|Finsolv PG 22|K-Flex DP|Oxybispropanol dibenzoate|oxydipropyl dibenzoate|Oxydipropyldibenzoat|PPG 2 dibenzoate|Propanol, oxybis-, dibenzoate|31213-49-7|574011-46-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027921
ARPathway2016 ARPathway2016_358 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8 DTXSID6036467 1.0 Agonist AR Pathway Model, Antagonist ACC 3.5774087754145 uM [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=CC1=CC=C(C=C1)C1=CC=C(C=CC2=CC=CC=C2S([O-])(=O)=O)C=C1 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8|Disodium 4,4'-bis(2-sulfostyryl)biphenyl|4,4'-Bis(2-sulfostyryl)biphenyl disodium salt|4,4'-Bis(o-sulfostyryl)biphenyl disodium salt|Benzenesulfonic acid, 2,2'-((1,1'-biphenyl)-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Brightener BR 49|Brightener CBS-X|Disodium 2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulfonate)|Disodium 2,2'-(4,4'-biphenyldiyldi-2,1-ethenediyl)dibenzenesulfonate|Disodium 4',4''-bi[stilbene-2,2'''-disulfonate]|EINECS 248-421-0|Optical Brightener CBS-X|Stilbene 3|Stilbene 420|Stilbene S-420|Tinopal CBS|Tinopal CBS-SP|Tinopal CBS-X|1173311-32-4|1465924-41-7|2051924-63-9|2283329-79-1|2360826-20-4|63439-81-6|71124-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6036467
ARPathway2016 ARPathway2016_358 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8 DTXSID6036467 1.0 Agonist AR Pathway Model, Antagonist AC50 4.34752515741816 uM [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=CC1=CC=C(C=C1)C1=CC=C(C=CC2=CC=CC=C2S([O-])(=O)=O)C=C1 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8|Disodium 4,4'-bis(2-sulfostyryl)biphenyl|4,4'-Bis(2-sulfostyryl)biphenyl disodium salt|4,4'-Bis(o-sulfostyryl)biphenyl disodium salt|Benzenesulfonic acid, 2,2'-((1,1'-biphenyl)-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Brightener BR 49|Brightener CBS-X|Disodium 2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulfonate)|Disodium 2,2'-(4,4'-biphenyldiyldi-2,1-ethenediyl)dibenzenesulfonate|Disodium 4',4''-bi[stilbene-2,2'''-disulfonate]|EINECS 248-421-0|Optical Brightener CBS-X|Stilbene 3|Stilbene 420|Stilbene S-420|Tinopal CBS|Tinopal CBS-SP|Tinopal CBS-X|1173311-32-4|1465924-41-7|2051924-63-9|2283329-79-1|2360826-20-4|63439-81-6|71124-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6036467
ARPathway2016 ARPathway2016_358 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8 DTXSID6036467 1.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=CC1=CC=C(C=C1)C1=CC=C(C=CC2=CC=CC=C2S([O-])(=O)=O)C=C1 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8|Disodium 4,4'-bis(2-sulfostyryl)biphenyl|4,4'-Bis(2-sulfostyryl)biphenyl disodium salt|4,4'-Bis(o-sulfostyryl)biphenyl disodium salt|Benzenesulfonic acid, 2,2'-((1,1'-biphenyl)-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Brightener BR 49|Brightener CBS-X|Disodium 2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulfonate)|Disodium 2,2'-(4,4'-biphenyldiyldi-2,1-ethenediyl)dibenzenesulfonate|Disodium 4',4''-bi[stilbene-2,2'''-disulfonate]|EINECS 248-421-0|Optical Brightener CBS-X|Stilbene 3|Stilbene 420|Stilbene S-420|Tinopal CBS|Tinopal CBS-SP|Tinopal CBS-X|1173311-32-4|1465924-41-7|2051924-63-9|2283329-79-1|2360826-20-4|63439-81-6|71124-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6036467
ARPathway2016 ARPathway2016_358 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8 DTXSID6036467 1.0 Agonist AR Pathway Model, Agonist Model Score 0.0863 Unitless [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=CC1=CC=C(C=C1)C1=CC=C(C=CC2=CC=CC=C2S([O-])(=O)=O)C=C1 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8|Disodium 4,4'-bis(2-sulfostyryl)biphenyl|4,4'-Bis(2-sulfostyryl)biphenyl disodium salt|4,4'-Bis(o-sulfostyryl)biphenyl disodium salt|Benzenesulfonic acid, 2,2'-((1,1'-biphenyl)-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Brightener BR 49|Brightener CBS-X|Disodium 2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulfonate)|Disodium 2,2'-(4,4'-biphenyldiyldi-2,1-ethenediyl)dibenzenesulfonate|Disodium 4',4''-bi[stilbene-2,2'''-disulfonate]|EINECS 248-421-0|Optical Brightener CBS-X|Stilbene 3|Stilbene 420|Stilbene S-420|Tinopal CBS|Tinopal CBS-SP|Tinopal CBS-X|1173311-32-4|1465924-41-7|2051924-63-9|2283329-79-1|2360826-20-4|63439-81-6|71124-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6036467
ARPathway2016 ARPathway2016_358 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8 DTXSID6036467 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=CC1=CC=C(C=C1)C1=CC=C(C=CC2=CC=CC=C2S([O-])(=O)=O)C=C1 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8|Disodium 4,4'-bis(2-sulfostyryl)biphenyl|4,4'-Bis(2-sulfostyryl)biphenyl disodium salt|4,4'-Bis(o-sulfostyryl)biphenyl disodium salt|Benzenesulfonic acid, 2,2'-((1,1'-biphenyl)-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Brightener BR 49|Brightener CBS-X|Disodium 2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulfonate)|Disodium 2,2'-(4,4'-biphenyldiyldi-2,1-ethenediyl)dibenzenesulfonate|Disodium 4',4''-bi[stilbene-2,2'''-disulfonate]|EINECS 248-421-0|Optical Brightener CBS-X|Stilbene 3|Stilbene 420|Stilbene S-420|Tinopal CBS|Tinopal CBS-SP|Tinopal CBS-X|1173311-32-4|1465924-41-7|2051924-63-9|2283329-79-1|2360826-20-4|63439-81-6|71124-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6036467
ARPathway2016 ARPathway2016_358 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8 DTXSID6036467 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=CC1=CC=C(C=C1)C1=CC=C(C=CC2=CC=CC=C2S([O-])(=O)=O)C=C1 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8|Disodium 4,4'-bis(2-sulfostyryl)biphenyl|4,4'-Bis(2-sulfostyryl)biphenyl disodium salt|4,4'-Bis(o-sulfostyryl)biphenyl disodium salt|Benzenesulfonic acid, 2,2'-((1,1'-biphenyl)-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Brightener BR 49|Brightener CBS-X|Disodium 2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulfonate)|Disodium 2,2'-(4,4'-biphenyldiyldi-2,1-ethenediyl)dibenzenesulfonate|Disodium 4',4''-bi[stilbene-2,2'''-disulfonate]|EINECS 248-421-0|Optical Brightener CBS-X|Stilbene 3|Stilbene 420|Stilbene S-420|Tinopal CBS|Tinopal CBS-SP|Tinopal CBS-X|1173311-32-4|1465924-41-7|2051924-63-9|2283329-79-1|2360826-20-4|63439-81-6|71124-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6036467
ERPathway2016 ERPathway2016_475 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8 DTXSID6036467 ER Pathway Model, Antagonist AC50 89.457989599688 uM [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=CC1=CC=C(C=C1)C1=CC=C(C=CC2=CC=CC=C2S([O-])(=O)=O)C=C1 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8|Disodium 4,4'-bis(2-sulfostyryl)biphenyl|4,4'-Bis(2-sulfostyryl)biphenyl disodium salt|4,4'-Bis(o-sulfostyryl)biphenyl disodium salt|Benzenesulfonic acid, 2,2'-((1,1'-biphenyl)-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Brightener BR 49|Brightener CBS-X|Disodium 2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulfonate)|Disodium 2,2'-(4,4'-biphenyldiyldi-2,1-ethenediyl)dibenzenesulfonate|Disodium 4',4''-bi[stilbene-2,2'''-disulfonate]|EINECS 248-421-0|Optical Brightener CBS-X|Stilbene 3|Stilbene 420|Stilbene S-420|Tinopal CBS|Tinopal CBS-SP|Tinopal CBS-X|1173311-32-4|1465924-41-7|2051924-63-9|2283329-79-1|2360826-20-4|63439-81-6|71124-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6036467
ERPathway2016 ERPathway2016_475 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8 DTXSID6036467 ER Pathway Model, Antagonist ACC 88.3855639650101 uM [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=CC1=CC=C(C=C1)C1=CC=C(C=CC2=CC=CC=C2S([O-])(=O)=O)C=C1 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8|Disodium 4,4'-bis(2-sulfostyryl)biphenyl|4,4'-Bis(2-sulfostyryl)biphenyl disodium salt|4,4'-Bis(o-sulfostyryl)biphenyl disodium salt|Benzenesulfonic acid, 2,2'-((1,1'-biphenyl)-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Brightener BR 49|Brightener CBS-X|Disodium 2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulfonate)|Disodium 2,2'-(4,4'-biphenyldiyldi-2,1-ethenediyl)dibenzenesulfonate|Disodium 4',4''-bi[stilbene-2,2'''-disulfonate]|EINECS 248-421-0|Optical Brightener CBS-X|Stilbene 3|Stilbene 420|Stilbene S-420|Tinopal CBS|Tinopal CBS-SP|Tinopal CBS-X|1173311-32-4|1465924-41-7|2051924-63-9|2283329-79-1|2360826-20-4|63439-81-6|71124-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6036467
ERPathway2016 ERPathway2016_475 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8 DTXSID6036467 ER Pathway Model, Agonist Model Score 0.00215 Unitless [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=CC1=CC=C(C=C1)C1=CC=C(C=CC2=CC=CC=C2S([O-])(=O)=O)C=C1 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8|Disodium 4,4'-bis(2-sulfostyryl)biphenyl|4,4'-Bis(2-sulfostyryl)biphenyl disodium salt|4,4'-Bis(o-sulfostyryl)biphenyl disodium salt|Benzenesulfonic acid, 2,2'-((1,1'-biphenyl)-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Brightener BR 49|Brightener CBS-X|Disodium 2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulfonate)|Disodium 2,2'-(4,4'-biphenyldiyldi-2,1-ethenediyl)dibenzenesulfonate|Disodium 4',4''-bi[stilbene-2,2'''-disulfonate]|EINECS 248-421-0|Optical Brightener CBS-X|Stilbene 3|Stilbene 420|Stilbene S-420|Tinopal CBS|Tinopal CBS-SP|Tinopal CBS-X|1173311-32-4|1465924-41-7|2051924-63-9|2283329-79-1|2360826-20-4|63439-81-6|71124-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6036467
ERPathway2016 ERPathway2016_475 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8 DTXSID6036467 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=CC1=CC=C(C=C1)C1=CC=C(C=CC2=CC=CC=C2S([O-])(=O)=O)C=C1 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8|Disodium 4,4'-bis(2-sulfostyryl)biphenyl|4,4'-Bis(2-sulfostyryl)biphenyl disodium salt|4,4'-Bis(o-sulfostyryl)biphenyl disodium salt|Benzenesulfonic acid, 2,2'-((1,1'-biphenyl)-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Brightener BR 49|Brightener CBS-X|Disodium 2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulfonate)|Disodium 2,2'-(4,4'-biphenyldiyldi-2,1-ethenediyl)dibenzenesulfonate|Disodium 4',4''-bi[stilbene-2,2'''-disulfonate]|EINECS 248-421-0|Optical Brightener CBS-X|Stilbene 3|Stilbene 420|Stilbene S-420|Tinopal CBS|Tinopal CBS-SP|Tinopal CBS-X|1173311-32-4|1465924-41-7|2051924-63-9|2283329-79-1|2360826-20-4|63439-81-6|71124-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6036467
ERPathway2016 ERPathway2016_475 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8 DTXSID6036467 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=CC1=CC=C(C=C1)C1=CC=C(C=CC2=CC=CC=C2S([O-])(=O)=O)C=C1 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8|Disodium 4,4'-bis(2-sulfostyryl)biphenyl|4,4'-Bis(2-sulfostyryl)biphenyl disodium salt|4,4'-Bis(o-sulfostyryl)biphenyl disodium salt|Benzenesulfonic acid, 2,2'-((1,1'-biphenyl)-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Brightener BR 49|Brightener CBS-X|Disodium 2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulfonate)|Disodium 2,2'-(4,4'-biphenyldiyldi-2,1-ethenediyl)dibenzenesulfonate|Disodium 4',4''-bi[stilbene-2,2'''-disulfonate]|EINECS 248-421-0|Optical Brightener CBS-X|Stilbene 3|Stilbene 420|Stilbene S-420|Tinopal CBS|Tinopal CBS-SP|Tinopal CBS-X|1173311-32-4|1465924-41-7|2051924-63-9|2283329-79-1|2360826-20-4|63439-81-6|71124-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6036467
ERPathway2016 ERPathway2016_475 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8 DTXSID6036467 ER Pathway Model, Antagonist Call Active Unitless [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=CC1=CC=C(C=C1)C1=CC=C(C=CC2=CC=CC=C2S([O-])(=O)=O)C=C1 Disodium 4,4'-bis(2-sulfostyryl)biphenyl 27344-41-8|Disodium 4,4'-bis(2-sulfostyryl)biphenyl|4,4'-Bis(2-sulfostyryl)biphenyl disodium salt|4,4'-Bis(o-sulfostyryl)biphenyl disodium salt|Benzenesulfonic acid, 2,2'-((1,1'-biphenyl)-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)|Brightener BR 49|Brightener CBS-X|Disodium 2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulfonate)|Disodium 2,2'-(4,4'-biphenyldiyldi-2,1-ethenediyl)dibenzenesulfonate|Disodium 4',4''-bi[stilbene-2,2'''-disulfonate]|EINECS 248-421-0|Optical Brightener CBS-X|Stilbene 3|Stilbene 420|Stilbene S-420|Tinopal CBS|Tinopal CBS-SP|Tinopal CBS-X|1173311-32-4|1465924-41-7|2051924-63-9|2283329-79-1|2360826-20-4|63439-81-6|71124-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6036467
ARPathway2016 ARPathway2016_1119 Disulfoton 298-04-4 DTXSID0022018 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)SCCSCC Disulfoton 298-04-4|Disulfoton|Bayer 19639|BRN 1709167|Caswell No. 341|Di-Syston|Di-Syston 8|Di-Syston G|Dithiodemeton|Dithiophosphate de O,O-diethyle et de S-(2-ethylthio-ethyle)|Dithiosystox|EINECS 206-054-3|Ekatin TD|Ekatine|EPA Pesticide Chemical Code 032501|Ethyl thiometon|Ethylthiometon|Ethylthiometon B|Frumin AL|Frumin G|Glebofos|Insyst-D|M-74|O,O-Diaethyl-S-(2-aethylthio-aethyl)-dithiophosphat|O,O-Diaethyl-S-(3-thia-pentyl)-dithiophosphat|O,O-Diethyl 2-ethylthioethyl phosphorodithioate|O,O-Diethyl S-(2-(ethylthio)ethyl) dithiophosphate|O,O-Diethyl S-(2-(ethylthio)ethyl)phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) thiothionophosphate|O,O-Diethyl S-(2-ethylmercaptoethyl) dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] phosphorodithioate|O,O-Diethyl S-2-(ethylthio)ethyl phosphorodithioate|O,O-Diethyl-S-(2-ethylthio-ethyl)-dithiofosfaat|O,O-Diethyl-S-ethylmercapto-ethyl dithiophosphate|O,O-Dietil-S-(2-etiltio-etil)-ditiofosfato| https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022018
ARPathway2016 ARPathway2016_1119 Disulfoton 298-04-4 DTXSID0022018 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=S)(OCC)SCCSCC Disulfoton 298-04-4|Disulfoton|Bayer 19639|BRN 1709167|Caswell No. 341|Di-Syston|Di-Syston 8|Di-Syston G|Dithiodemeton|Dithiophosphate de O,O-diethyle et de S-(2-ethylthio-ethyle)|Dithiosystox|EINECS 206-054-3|Ekatin TD|Ekatine|EPA Pesticide Chemical Code 032501|Ethyl thiometon|Ethylthiometon|Ethylthiometon B|Frumin AL|Frumin G|Glebofos|Insyst-D|M-74|O,O-Diaethyl-S-(2-aethylthio-aethyl)-dithiophosphat|O,O-Diaethyl-S-(3-thia-pentyl)-dithiophosphat|O,O-Diethyl 2-ethylthioethyl phosphorodithioate|O,O-Diethyl S-(2-(ethylthio)ethyl) dithiophosphate|O,O-Diethyl S-(2-(ethylthio)ethyl)phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) thiothionophosphate|O,O-Diethyl S-(2-ethylmercaptoethyl) dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] phosphorodithioate|O,O-Diethyl S-2-(ethylthio)ethyl phosphorodithioate|O,O-Diethyl-S-(2-ethylthio-ethyl)-dithiofosfaat|O,O-Diethyl-S-ethylmercapto-ethyl dithiophosphate|O,O-Dietil-S-(2-etiltio-etil)-ditiofosfato| https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022018
ARPathway2016 ARPathway2016_1119 Disulfoton 298-04-4 DTXSID0022018 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)SCCSCC Disulfoton 298-04-4|Disulfoton|Bayer 19639|BRN 1709167|Caswell No. 341|Di-Syston|Di-Syston 8|Di-Syston G|Dithiodemeton|Dithiophosphate de O,O-diethyle et de S-(2-ethylthio-ethyle)|Dithiosystox|EINECS 206-054-3|Ekatin TD|Ekatine|EPA Pesticide Chemical Code 032501|Ethyl thiometon|Ethylthiometon|Ethylthiometon B|Frumin AL|Frumin G|Glebofos|Insyst-D|M-74|O,O-Diaethyl-S-(2-aethylthio-aethyl)-dithiophosphat|O,O-Diaethyl-S-(3-thia-pentyl)-dithiophosphat|O,O-Diethyl 2-ethylthioethyl phosphorodithioate|O,O-Diethyl S-(2-(ethylthio)ethyl) dithiophosphate|O,O-Diethyl S-(2-(ethylthio)ethyl)phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) thiothionophosphate|O,O-Diethyl S-(2-ethylmercaptoethyl) dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] phosphorodithioate|O,O-Diethyl S-2-(ethylthio)ethyl phosphorodithioate|O,O-Diethyl-S-(2-ethylthio-ethyl)-dithiofosfaat|O,O-Diethyl-S-ethylmercapto-ethyl dithiophosphate|O,O-Dietil-S-(2-etiltio-etil)-ditiofosfato| https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022018
ARPathway2016 ARPathway2016_1119 Disulfoton 298-04-4 DTXSID0022018 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OCC)SCCSCC Disulfoton 298-04-4|Disulfoton|Bayer 19639|BRN 1709167|Caswell No. 341|Di-Syston|Di-Syston 8|Di-Syston G|Dithiodemeton|Dithiophosphate de O,O-diethyle et de S-(2-ethylthio-ethyle)|Dithiosystox|EINECS 206-054-3|Ekatin TD|Ekatine|EPA Pesticide Chemical Code 032501|Ethyl thiometon|Ethylthiometon|Ethylthiometon B|Frumin AL|Frumin G|Glebofos|Insyst-D|M-74|O,O-Diaethyl-S-(2-aethylthio-aethyl)-dithiophosphat|O,O-Diaethyl-S-(3-thia-pentyl)-dithiophosphat|O,O-Diethyl 2-ethylthioethyl phosphorodithioate|O,O-Diethyl S-(2-(ethylthio)ethyl) dithiophosphate|O,O-Diethyl S-(2-(ethylthio)ethyl)phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) thiothionophosphate|O,O-Diethyl S-(2-ethylmercaptoethyl) dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] phosphorodithioate|O,O-Diethyl S-2-(ethylthio)ethyl phosphorodithioate|O,O-Diethyl-S-(2-ethylthio-ethyl)-dithiofosfaat|O,O-Diethyl-S-ethylmercapto-ethyl dithiophosphate|O,O-Dietil-S-(2-etiltio-etil)-ditiofosfato| https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022018
ERPathway2016 ERPathway2016_324 Disulfoton 298-04-4 DTXSID0022018 ER Pathway Model, Antagonist AC50 24.6773044428779 uM CCOP(=S)(OCC)SCCSCC Disulfoton 298-04-4|Disulfoton|Bayer 19639|BRN 1709167|Caswell No. 341|Di-Syston|Di-Syston 8|Di-Syston G|Dithiodemeton|Dithiophosphate de O,O-diethyle et de S-(2-ethylthio-ethyle)|Dithiosystox|EINECS 206-054-3|Ekatin TD|Ekatine|EPA Pesticide Chemical Code 032501|Ethyl thiometon|Ethylthiometon|Ethylthiometon B|Frumin AL|Frumin G|Glebofos|Insyst-D|M-74|O,O-Diaethyl-S-(2-aethylthio-aethyl)-dithiophosphat|O,O-Diaethyl-S-(3-thia-pentyl)-dithiophosphat|O,O-Diethyl 2-ethylthioethyl phosphorodithioate|O,O-Diethyl S-(2-(ethylthio)ethyl) dithiophosphate|O,O-Diethyl S-(2-(ethylthio)ethyl)phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) thiothionophosphate|O,O-Diethyl S-(2-ethylmercaptoethyl) dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] phosphorodithioate|O,O-Diethyl S-2-(ethylthio)ethyl phosphorodithioate|O,O-Diethyl-S-(2-ethylthio-ethyl)-dithiofosfaat|O,O-Diethyl-S-ethylmercapto-ethyl dithiophosphate|O,O-Dietil-S-(2-etiltio-etil)-ditiofosfato| https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022018
ERPathway2016 ERPathway2016_324 Disulfoton 298-04-4 DTXSID0022018 ER Pathway Model, Antagonist ACC 48.0125439279195 uM CCOP(=S)(OCC)SCCSCC Disulfoton 298-04-4|Disulfoton|Bayer 19639|BRN 1709167|Caswell No. 341|Di-Syston|Di-Syston 8|Di-Syston G|Dithiodemeton|Dithiophosphate de O,O-diethyle et de S-(2-ethylthio-ethyle)|Dithiosystox|EINECS 206-054-3|Ekatin TD|Ekatine|EPA Pesticide Chemical Code 032501|Ethyl thiometon|Ethylthiometon|Ethylthiometon B|Frumin AL|Frumin G|Glebofos|Insyst-D|M-74|O,O-Diaethyl-S-(2-aethylthio-aethyl)-dithiophosphat|O,O-Diaethyl-S-(3-thia-pentyl)-dithiophosphat|O,O-Diethyl 2-ethylthioethyl phosphorodithioate|O,O-Diethyl S-(2-(ethylthio)ethyl) dithiophosphate|O,O-Diethyl S-(2-(ethylthio)ethyl)phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) thiothionophosphate|O,O-Diethyl S-(2-ethylmercaptoethyl) dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] phosphorodithioate|O,O-Diethyl S-2-(ethylthio)ethyl phosphorodithioate|O,O-Diethyl-S-(2-ethylthio-ethyl)-dithiofosfaat|O,O-Diethyl-S-ethylmercapto-ethyl dithiophosphate|O,O-Dietil-S-(2-etiltio-etil)-ditiofosfato| https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022018
ERPathway2016 ERPathway2016_324 Disulfoton 298-04-4 DTXSID0022018 ER Pathway Model, Agonist Model Score 0.025 Unitless CCOP(=S)(OCC)SCCSCC Disulfoton 298-04-4|Disulfoton|Bayer 19639|BRN 1709167|Caswell No. 341|Di-Syston|Di-Syston 8|Di-Syston G|Dithiodemeton|Dithiophosphate de O,O-diethyle et de S-(2-ethylthio-ethyle)|Dithiosystox|EINECS 206-054-3|Ekatin TD|Ekatine|EPA Pesticide Chemical Code 032501|Ethyl thiometon|Ethylthiometon|Ethylthiometon B|Frumin AL|Frumin G|Glebofos|Insyst-D|M-74|O,O-Diaethyl-S-(2-aethylthio-aethyl)-dithiophosphat|O,O-Diaethyl-S-(3-thia-pentyl)-dithiophosphat|O,O-Diethyl 2-ethylthioethyl phosphorodithioate|O,O-Diethyl S-(2-(ethylthio)ethyl) dithiophosphate|O,O-Diethyl S-(2-(ethylthio)ethyl)phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) thiothionophosphate|O,O-Diethyl S-(2-ethylmercaptoethyl) dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] phosphorodithioate|O,O-Diethyl S-2-(ethylthio)ethyl phosphorodithioate|O,O-Diethyl-S-(2-ethylthio-ethyl)-dithiofosfaat|O,O-Diethyl-S-ethylmercapto-ethyl dithiophosphate|O,O-Dietil-S-(2-etiltio-etil)-ditiofosfato| https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022018
ERPathway2016 ERPathway2016_324 Disulfoton 298-04-4 DTXSID0022018 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)SCCSCC Disulfoton 298-04-4|Disulfoton|Bayer 19639|BRN 1709167|Caswell No. 341|Di-Syston|Di-Syston 8|Di-Syston G|Dithiodemeton|Dithiophosphate de O,O-diethyle et de S-(2-ethylthio-ethyle)|Dithiosystox|EINECS 206-054-3|Ekatin TD|Ekatine|EPA Pesticide Chemical Code 032501|Ethyl thiometon|Ethylthiometon|Ethylthiometon B|Frumin AL|Frumin G|Glebofos|Insyst-D|M-74|O,O-Diaethyl-S-(2-aethylthio-aethyl)-dithiophosphat|O,O-Diaethyl-S-(3-thia-pentyl)-dithiophosphat|O,O-Diethyl 2-ethylthioethyl phosphorodithioate|O,O-Diethyl S-(2-(ethylthio)ethyl) dithiophosphate|O,O-Diethyl S-(2-(ethylthio)ethyl)phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) thiothionophosphate|O,O-Diethyl S-(2-ethylmercaptoethyl) dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] phosphorodithioate|O,O-Diethyl S-2-(ethylthio)ethyl phosphorodithioate|O,O-Diethyl-S-(2-ethylthio-ethyl)-dithiofosfaat|O,O-Diethyl-S-ethylmercapto-ethyl dithiophosphate|O,O-Dietil-S-(2-etiltio-etil)-ditiofosfato| https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022018
ERPathway2016 ERPathway2016_324 Disulfoton 298-04-4 DTXSID0022018 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)SCCSCC Disulfoton 298-04-4|Disulfoton|Bayer 19639|BRN 1709167|Caswell No. 341|Di-Syston|Di-Syston 8|Di-Syston G|Dithiodemeton|Dithiophosphate de O,O-diethyle et de S-(2-ethylthio-ethyle)|Dithiosystox|EINECS 206-054-3|Ekatin TD|Ekatine|EPA Pesticide Chemical Code 032501|Ethyl thiometon|Ethylthiometon|Ethylthiometon B|Frumin AL|Frumin G|Glebofos|Insyst-D|M-74|O,O-Diaethyl-S-(2-aethylthio-aethyl)-dithiophosphat|O,O-Diaethyl-S-(3-thia-pentyl)-dithiophosphat|O,O-Diethyl 2-ethylthioethyl phosphorodithioate|O,O-Diethyl S-(2-(ethylthio)ethyl) dithiophosphate|O,O-Diethyl S-(2-(ethylthio)ethyl)phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) thiothionophosphate|O,O-Diethyl S-(2-ethylmercaptoethyl) dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] phosphorodithioate|O,O-Diethyl S-2-(ethylthio)ethyl phosphorodithioate|O,O-Diethyl-S-(2-ethylthio-ethyl)-dithiofosfaat|O,O-Diethyl-S-ethylmercapto-ethyl dithiophosphate|O,O-Dietil-S-(2-etiltio-etil)-ditiofosfato| https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022018
ERPathway2016 ERPathway2016_324 Disulfoton 298-04-4 DTXSID0022018 ER Pathway Model, Antagonist Call Active Unitless CCOP(=S)(OCC)SCCSCC Disulfoton 298-04-4|Disulfoton|Bayer 19639|BRN 1709167|Caswell No. 341|Di-Syston|Di-Syston 8|Di-Syston G|Dithiodemeton|Dithiophosphate de O,O-diethyle et de S-(2-ethylthio-ethyle)|Dithiosystox|EINECS 206-054-3|Ekatin TD|Ekatine|EPA Pesticide Chemical Code 032501|Ethyl thiometon|Ethylthiometon|Ethylthiometon B|Frumin AL|Frumin G|Glebofos|Insyst-D|M-74|O,O-Diaethyl-S-(2-aethylthio-aethyl)-dithiophosphat|O,O-Diaethyl-S-(3-thia-pentyl)-dithiophosphat|O,O-Diethyl 2-ethylthioethyl phosphorodithioate|O,O-Diethyl S-(2-(ethylthio)ethyl) dithiophosphate|O,O-Diethyl S-(2-(ethylthio)ethyl)phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) phosphorodithioate|O,O-Diethyl S-(2-eththioethyl) thiothionophosphate|O,O-Diethyl S-(2-ethylmercaptoethyl) dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] dithiophosphate|O,O-Diethyl S-[2-(ethylthio)ethyl] phosphorodithioate|O,O-Diethyl S-2-(ethylthio)ethyl phosphorodithioate|O,O-Diethyl-S-(2-ethylthio-ethyl)-dithiofosfaat|O,O-Diethyl-S-ethylmercapto-ethyl dithiophosphate|O,O-Dietil-S-(2-etiltio-etil)-ditiofosfato| https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022018
ARPathway2016 ARPathway2016_534 Di-tert-butyl peroxide 110-05-4 DTXSID2024955 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)OOC(C)(C)C Di-tert-butyl peroxide 110-05-4|Di-tert-butyl peroxide|(Tributyl)peroxide|Bis(1,1-dimethylethyl) peroxide|Bis(1,1-dimethylethyl)peroxide|Bis(t-butyl)peroxide|Bis(tert-butyl) peroxide|Cadox TBP|DI-T-BUTYL PEROXIDE|Di-t-butylperoxide|Di-tert-Butyl hydroperoxide|Di-tert-butyl peroxyde|Di-tert-butylperoxid|Di(tertiary-butyl) peroxide|EINECS 203-733-6|Interox DTB|Kayabutyl D|Luperox DI|Luperox(r) DI|NSC 673|Perbutyl D|Perossido di butile terziario|Peroxide, bis(1,1-dimethylethyl)|Peroxide,bis(1,1-dimethylethyl)|peroxido de di-terc-butilo|Peroximon DB|Peroxyde de butyle tertiaire|Peroxyde de di-tert-butyle|t-BuOOH|t-Butyl peroxide|t-Butyl-peroxide|tert-butyl peroxide|Trigonox B|UN 2255|UN 3107|UNII-M7ZJ88F4R1|62534-71-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024955 https://doi.org/10.22427/NTP-DATA-DTXSID2024955
ARPathway2016 ARPathway2016_534 Di-tert-butyl peroxide 110-05-4 DTXSID2024955 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)OOC(C)(C)C Di-tert-butyl peroxide 110-05-4|Di-tert-butyl peroxide|(Tributyl)peroxide|Bis(1,1-dimethylethyl) peroxide|Bis(1,1-dimethylethyl)peroxide|Bis(t-butyl)peroxide|Bis(tert-butyl) peroxide|Cadox TBP|DI-T-BUTYL PEROXIDE|Di-t-butylperoxide|Di-tert-Butyl hydroperoxide|Di-tert-butyl peroxyde|Di-tert-butylperoxid|Di(tertiary-butyl) peroxide|EINECS 203-733-6|Interox DTB|Kayabutyl D|Luperox DI|Luperox(r) DI|NSC 673|Perbutyl D|Perossido di butile terziario|Peroxide, bis(1,1-dimethylethyl)|Peroxide,bis(1,1-dimethylethyl)|peroxido de di-terc-butilo|Peroximon DB|Peroxyde de butyle tertiaire|Peroxyde de di-tert-butyle|t-BuOOH|t-Butyl peroxide|t-Butyl-peroxide|tert-butyl peroxide|Trigonox B|UN 2255|UN 3107|UNII-M7ZJ88F4R1|62534-71-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024955 https://doi.org/10.22427/NTP-DATA-DTXSID2024955
ARPathway2016 ARPathway2016_534 Di-tert-butyl peroxide 110-05-4 DTXSID2024955 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)OOC(C)(C)C Di-tert-butyl peroxide 110-05-4|Di-tert-butyl peroxide|(Tributyl)peroxide|Bis(1,1-dimethylethyl) peroxide|Bis(1,1-dimethylethyl)peroxide|Bis(t-butyl)peroxide|Bis(tert-butyl) peroxide|Cadox TBP|DI-T-BUTYL PEROXIDE|Di-t-butylperoxide|Di-tert-Butyl hydroperoxide|Di-tert-butyl peroxyde|Di-tert-butylperoxid|Di(tertiary-butyl) peroxide|EINECS 203-733-6|Interox DTB|Kayabutyl D|Luperox DI|Luperox(r) DI|NSC 673|Perbutyl D|Perossido di butile terziario|Peroxide, bis(1,1-dimethylethyl)|Peroxide,bis(1,1-dimethylethyl)|peroxido de di-terc-butilo|Peroximon DB|Peroxyde de butyle tertiaire|Peroxyde de di-tert-butyle|t-BuOOH|t-Butyl peroxide|t-Butyl-peroxide|tert-butyl peroxide|Trigonox B|UN 2255|UN 3107|UNII-M7ZJ88F4R1|62534-71-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024955 https://doi.org/10.22427/NTP-DATA-DTXSID2024955
ARPathway2016 ARPathway2016_534 Di-tert-butyl peroxide 110-05-4 DTXSID2024955 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)OOC(C)(C)C Di-tert-butyl peroxide 110-05-4|Di-tert-butyl peroxide|(Tributyl)peroxide|Bis(1,1-dimethylethyl) peroxide|Bis(1,1-dimethylethyl)peroxide|Bis(t-butyl)peroxide|Bis(tert-butyl) peroxide|Cadox TBP|DI-T-BUTYL PEROXIDE|Di-t-butylperoxide|Di-tert-Butyl hydroperoxide|Di-tert-butyl peroxyde|Di-tert-butylperoxid|Di(tertiary-butyl) peroxide|EINECS 203-733-6|Interox DTB|Kayabutyl D|Luperox DI|Luperox(r) DI|NSC 673|Perbutyl D|Perossido di butile terziario|Peroxide, bis(1,1-dimethylethyl)|Peroxide,bis(1,1-dimethylethyl)|peroxido de di-terc-butilo|Peroximon DB|Peroxyde de butyle tertiaire|Peroxyde de di-tert-butyle|t-BuOOH|t-Butyl peroxide|t-Butyl-peroxide|tert-butyl peroxide|Trigonox B|UN 2255|UN 3107|UNII-M7ZJ88F4R1|62534-71-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024955 https://doi.org/10.22427/NTP-DATA-DTXSID2024955
ERPathway2016 ERPathway2016_1129 Di-tert-butyl peroxide 110-05-4 DTXSID2024955 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)OOC(C)(C)C Di-tert-butyl peroxide 110-05-4|Di-tert-butyl peroxide|(Tributyl)peroxide|Bis(1,1-dimethylethyl) peroxide|Bis(1,1-dimethylethyl)peroxide|Bis(t-butyl)peroxide|Bis(tert-butyl) peroxide|Cadox TBP|DI-T-BUTYL PEROXIDE|Di-t-butylperoxide|Di-tert-Butyl hydroperoxide|Di-tert-butyl peroxyde|Di-tert-butylperoxid|Di(tertiary-butyl) peroxide|EINECS 203-733-6|Interox DTB|Kayabutyl D|Luperox DI|Luperox(r) DI|NSC 673|Perbutyl D|Perossido di butile terziario|Peroxide, bis(1,1-dimethylethyl)|Peroxide,bis(1,1-dimethylethyl)|peroxido de di-terc-butilo|Peroximon DB|Peroxyde de butyle tertiaire|Peroxyde de di-tert-butyle|t-BuOOH|t-Butyl peroxide|t-Butyl-peroxide|tert-butyl peroxide|Trigonox B|UN 2255|UN 3107|UNII-M7ZJ88F4R1|62534-71-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024955 https://doi.org/10.22427/NTP-DATA-DTXSID2024955
ERPathway2016 ERPathway2016_1129 Di-tert-butyl peroxide 110-05-4 DTXSID2024955 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)OOC(C)(C)C Di-tert-butyl peroxide 110-05-4|Di-tert-butyl peroxide|(Tributyl)peroxide|Bis(1,1-dimethylethyl) peroxide|Bis(1,1-dimethylethyl)peroxide|Bis(t-butyl)peroxide|Bis(tert-butyl) peroxide|Cadox TBP|DI-T-BUTYL PEROXIDE|Di-t-butylperoxide|Di-tert-Butyl hydroperoxide|Di-tert-butyl peroxyde|Di-tert-butylperoxid|Di(tertiary-butyl) peroxide|EINECS 203-733-6|Interox DTB|Kayabutyl D|Luperox DI|Luperox(r) DI|NSC 673|Perbutyl D|Perossido di butile terziario|Peroxide, bis(1,1-dimethylethyl)|Peroxide,bis(1,1-dimethylethyl)|peroxido de di-terc-butilo|Peroximon DB|Peroxyde de butyle tertiaire|Peroxyde de di-tert-butyle|t-BuOOH|t-Butyl peroxide|t-Butyl-peroxide|tert-butyl peroxide|Trigonox B|UN 2255|UN 3107|UNII-M7ZJ88F4R1|62534-71-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024955 https://doi.org/10.22427/NTP-DATA-DTXSID2024955
ERPathway2016 ERPathway2016_1129 Di-tert-butyl peroxide 110-05-4 DTXSID2024955 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)OOC(C)(C)C Di-tert-butyl peroxide 110-05-4|Di-tert-butyl peroxide|(Tributyl)peroxide|Bis(1,1-dimethylethyl) peroxide|Bis(1,1-dimethylethyl)peroxide|Bis(t-butyl)peroxide|Bis(tert-butyl) peroxide|Cadox TBP|DI-T-BUTYL PEROXIDE|Di-t-butylperoxide|Di-tert-Butyl hydroperoxide|Di-tert-butyl peroxyde|Di-tert-butylperoxid|Di(tertiary-butyl) peroxide|EINECS 203-733-6|Interox DTB|Kayabutyl D|Luperox DI|Luperox(r) DI|NSC 673|Perbutyl D|Perossido di butile terziario|Peroxide, bis(1,1-dimethylethyl)|Peroxide,bis(1,1-dimethylethyl)|peroxido de di-terc-butilo|Peroximon DB|Peroxyde de butyle tertiaire|Peroxyde de di-tert-butyle|t-BuOOH|t-Butyl peroxide|t-Butyl-peroxide|tert-butyl peroxide|Trigonox B|UN 2255|UN 3107|UNII-M7ZJ88F4R1|62534-71-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024955 https://doi.org/10.22427/NTP-DATA-DTXSID2024955
ERPathway2016 ERPathway2016_1129 Di-tert-butyl peroxide 110-05-4 DTXSID2024955 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)OOC(C)(C)C Di-tert-butyl peroxide 110-05-4|Di-tert-butyl peroxide|(Tributyl)peroxide|Bis(1,1-dimethylethyl) peroxide|Bis(1,1-dimethylethyl)peroxide|Bis(t-butyl)peroxide|Bis(tert-butyl) peroxide|Cadox TBP|DI-T-BUTYL PEROXIDE|Di-t-butylperoxide|Di-tert-Butyl hydroperoxide|Di-tert-butyl peroxyde|Di-tert-butylperoxid|Di(tertiary-butyl) peroxide|EINECS 203-733-6|Interox DTB|Kayabutyl D|Luperox DI|Luperox(r) DI|NSC 673|Perbutyl D|Perossido di butile terziario|Peroxide, bis(1,1-dimethylethyl)|Peroxide,bis(1,1-dimethylethyl)|peroxido de di-terc-butilo|Peroximon DB|Peroxyde de butyle tertiaire|Peroxyde de di-tert-butyle|t-BuOOH|t-Butyl peroxide|t-Butyl-peroxide|tert-butyl peroxide|Trigonox B|UN 2255|UN 3107|UNII-M7ZJ88F4R1|62534-71-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024955 https://doi.org/10.22427/NTP-DATA-DTXSID2024955
ARPathway2016 ARPathway2016_1792 Dithiopyr 97886-45-8 DTXSID9032379 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CSC(=O)C1=C(N=C(C(C(=O)SC)=C1CC(C)C)C(F)(F)F)C(F)F Dithiopyr 97886-45-8|Dithiopyr|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, 3,5-dimethyl ester|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, S,S-dimethyl ester|BRN 4272584|Dimension|Dithiopyr [2-(Difluoromethyl-4-(2-methylpropyl-6-(trifluoromethyl)-3,5-pyridinedicarbothioic acid S,S-dimethyl ester]|Formulation 10 (Dithiopyr)|MON 15100|RH-131664|RH-1664|S,S'-Dimethyl 2-difluoromethyl-4-isobutyl-6-trifluoromethylpyridine-3,5-dicarbothioate|Stakeout|UNII-2TXF17HAV1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032379
ARPathway2016 ARPathway2016_1792 Dithiopyr 97886-45-8 DTXSID9032379 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CSC(=O)C1=C(N=C(C(C(=O)SC)=C1CC(C)C)C(F)(F)F)C(F)F Dithiopyr 97886-45-8|Dithiopyr|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, 3,5-dimethyl ester|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, S,S-dimethyl ester|BRN 4272584|Dimension|Dithiopyr [2-(Difluoromethyl-4-(2-methylpropyl-6-(trifluoromethyl)-3,5-pyridinedicarbothioic acid S,S-dimethyl ester]|Formulation 10 (Dithiopyr)|MON 15100|RH-131664|RH-1664|S,S'-Dimethyl 2-difluoromethyl-4-isobutyl-6-trifluoromethylpyridine-3,5-dicarbothioate|Stakeout|UNII-2TXF17HAV1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032379
ARPathway2016 ARPathway2016_1792 Dithiopyr 97886-45-8 DTXSID9032379 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CSC(=O)C1=C(N=C(C(C(=O)SC)=C1CC(C)C)C(F)(F)F)C(F)F Dithiopyr 97886-45-8|Dithiopyr|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, 3,5-dimethyl ester|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, S,S-dimethyl ester|BRN 4272584|Dimension|Dithiopyr [2-(Difluoromethyl-4-(2-methylpropyl-6-(trifluoromethyl)-3,5-pyridinedicarbothioic acid S,S-dimethyl ester]|Formulation 10 (Dithiopyr)|MON 15100|RH-131664|RH-1664|S,S'-Dimethyl 2-difluoromethyl-4-isobutyl-6-trifluoromethylpyridine-3,5-dicarbothioate|Stakeout|UNII-2TXF17HAV1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032379
ARPathway2016 ARPathway2016_1792 Dithiopyr 97886-45-8 DTXSID9032379 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CSC(=O)C1=C(N=C(C(C(=O)SC)=C1CC(C)C)C(F)(F)F)C(F)F Dithiopyr 97886-45-8|Dithiopyr|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, 3,5-dimethyl ester|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, S,S-dimethyl ester|BRN 4272584|Dimension|Dithiopyr [2-(Difluoromethyl-4-(2-methylpropyl-6-(trifluoromethyl)-3,5-pyridinedicarbothioic acid S,S-dimethyl ester]|Formulation 10 (Dithiopyr)|MON 15100|RH-131664|RH-1664|S,S'-Dimethyl 2-difluoromethyl-4-isobutyl-6-trifluoromethylpyridine-3,5-dicarbothioate|Stakeout|UNII-2TXF17HAV1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032379
ERPathway2016 ERPathway2016_347 Dithiopyr 97886-45-8 DTXSID9032379 ER Pathway Model, Antagonist AC50 11.9569991026466 uM CSC(=O)C1=C(N=C(C(C(=O)SC)=C1CC(C)C)C(F)(F)F)C(F)F Dithiopyr 97886-45-8|Dithiopyr|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, 3,5-dimethyl ester|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, S,S-dimethyl ester|BRN 4272584|Dimension|Dithiopyr [2-(Difluoromethyl-4-(2-methylpropyl-6-(trifluoromethyl)-3,5-pyridinedicarbothioic acid S,S-dimethyl ester]|Formulation 10 (Dithiopyr)|MON 15100|RH-131664|RH-1664|S,S'-Dimethyl 2-difluoromethyl-4-isobutyl-6-trifluoromethylpyridine-3,5-dicarbothioate|Stakeout|UNII-2TXF17HAV1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032379
ERPathway2016 ERPathway2016_347 Dithiopyr 97886-45-8 DTXSID9032379 ER Pathway Model, Antagonist ACC 8.26507375282425 uM CSC(=O)C1=C(N=C(C(C(=O)SC)=C1CC(C)C)C(F)(F)F)C(F)F Dithiopyr 97886-45-8|Dithiopyr|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, 3,5-dimethyl ester|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, S,S-dimethyl ester|BRN 4272584|Dimension|Dithiopyr [2-(Difluoromethyl-4-(2-methylpropyl-6-(trifluoromethyl)-3,5-pyridinedicarbothioic acid S,S-dimethyl ester]|Formulation 10 (Dithiopyr)|MON 15100|RH-131664|RH-1664|S,S'-Dimethyl 2-difluoromethyl-4-isobutyl-6-trifluoromethylpyridine-3,5-dicarbothioate|Stakeout|UNII-2TXF17HAV1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032379
ERPathway2016 ERPathway2016_347 Dithiopyr 97886-45-8 DTXSID9032379 ER Pathway Model, Agonist Model Score 0.0183 Unitless CSC(=O)C1=C(N=C(C(C(=O)SC)=C1CC(C)C)C(F)(F)F)C(F)F Dithiopyr 97886-45-8|Dithiopyr|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, 3,5-dimethyl ester|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, S,S-dimethyl ester|BRN 4272584|Dimension|Dithiopyr [2-(Difluoromethyl-4-(2-methylpropyl-6-(trifluoromethyl)-3,5-pyridinedicarbothioic acid S,S-dimethyl ester]|Formulation 10 (Dithiopyr)|MON 15100|RH-131664|RH-1664|S,S'-Dimethyl 2-difluoromethyl-4-isobutyl-6-trifluoromethylpyridine-3,5-dicarbothioate|Stakeout|UNII-2TXF17HAV1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032379
ERPathway2016 ERPathway2016_347 Dithiopyr 97886-45-8 DTXSID9032379 ER Pathway Model, Antagonist Model Score 0 Unitless CSC(=O)C1=C(N=C(C(C(=O)SC)=C1CC(C)C)C(F)(F)F)C(F)F Dithiopyr 97886-45-8|Dithiopyr|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, 3,5-dimethyl ester|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, S,S-dimethyl ester|BRN 4272584|Dimension|Dithiopyr [2-(Difluoromethyl-4-(2-methylpropyl-6-(trifluoromethyl)-3,5-pyridinedicarbothioic acid S,S-dimethyl ester]|Formulation 10 (Dithiopyr)|MON 15100|RH-131664|RH-1664|S,S'-Dimethyl 2-difluoromethyl-4-isobutyl-6-trifluoromethylpyridine-3,5-dicarbothioate|Stakeout|UNII-2TXF17HAV1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032379
ERPathway2016 ERPathway2016_347 Dithiopyr 97886-45-8 DTXSID9032379 ER Pathway Model, Agonist Call Inactive Unitless CSC(=O)C1=C(N=C(C(C(=O)SC)=C1CC(C)C)C(F)(F)F)C(F)F Dithiopyr 97886-45-8|Dithiopyr|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, 3,5-dimethyl ester|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, S,S-dimethyl ester|BRN 4272584|Dimension|Dithiopyr [2-(Difluoromethyl-4-(2-methylpropyl-6-(trifluoromethyl)-3,5-pyridinedicarbothioic acid S,S-dimethyl ester]|Formulation 10 (Dithiopyr)|MON 15100|RH-131664|RH-1664|S,S'-Dimethyl 2-difluoromethyl-4-isobutyl-6-trifluoromethylpyridine-3,5-dicarbothioate|Stakeout|UNII-2TXF17HAV1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032379
ERPathway2016 ERPathway2016_347 Dithiopyr 97886-45-8 DTXSID9032379 ER Pathway Model, Antagonist Call Active Unitless CSC(=O)C1=C(N=C(C(C(=O)SC)=C1CC(C)C)C(F)(F)F)C(F)F Dithiopyr 97886-45-8|Dithiopyr|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, 3,5-dimethyl ester|3,5-Pyridinedicarbothioic acid, 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, S,S-dimethyl ester|BRN 4272584|Dimension|Dithiopyr [2-(Difluoromethyl-4-(2-methylpropyl-6-(trifluoromethyl)-3,5-pyridinedicarbothioic acid S,S-dimethyl ester]|Formulation 10 (Dithiopyr)|MON 15100|RH-131664|RH-1664|S,S'-Dimethyl 2-difluoromethyl-4-isobutyl-6-trifluoromethylpyridine-3,5-dicarbothioate|Stakeout|UNII-2TXF17HAV1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032379
ARPathway2016 ARPathway2016_1144 Diuron 330-54-1 DTXSID0020446 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1 Diuron 330-54-1|Diuron|(3-(3,4-DICHLOROPHENYL)-1,1-DIMETHYL UREA|1-(3,4-Dichlorophenyl)-3,3-dimethylurea|1-(3,4-dichlorophenyl)-3,3-dimethyluree|1,1-DIMETHYL-3-(3,4-DICHLOROPHENYL)UREA|3-(3,4-Dichloor-fenyl)-1,1-dimethylureum|3-(3,4-Dichlor-phenyl)-1,1-dimethyl-harnstoff|3-(3,4-Dichloro-phenyl)-1,1-dimethyl-urea|3-(3,4-DICHLOROPHENYL)-1,1-DIMETHYL UREA|3-(3,4-Dichlorophenyl)-1,1-dimethylurea|3-(3,4-Dicloro-fenyl)-1,1-dimetil-urea|Anduron|Ansaron|BRN 2215168|Caswell No. 410|Cekiuron|Crisuron|DCMU|Dichlorfenidim|Dironet|Dironzol|Dirurol|Diuron Nortox|DP Hardener 95|DPX-14740|Durashield|Dyhard UR 200|EINECS 206-354-4|EPA Pesticide Chemical Code 035505|Farmco diuron|Herbatox|Herburon|HRT Dinron|Karmex D|Karmex Diuron Herbicide|Karmex DW|Lucenit|N-(3,4-Dichlorophenyl)-N',N'-dimethylurea|N,N-Dimethyl-N'-(3,4-dichlorophenyl)urea|N,N,-dimethyl-N'-(3,4-dichlorophenyl)urea|N'-(3,4-Dichlorophenyl)-N,N-dimethyl urea|N'-(3,4-Dichlorophenyl)-N,N-dimethylurea|N'-3,4-DICHLOROPHENYL N,N-DIMETHYLUREA|NSC 8950|Preventol A 6|Seduron|Telvar Diuron Weed|102962-29-8|127641-75-2|150825-44-8|201749-62-4|56449-18-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020446
ARPathway2016 ARPathway2016_1144 Diuron 330-54-1 DTXSID0020446 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1 Diuron 330-54-1|Diuron|(3-(3,4-DICHLOROPHENYL)-1,1-DIMETHYL UREA|1-(3,4-Dichlorophenyl)-3,3-dimethylurea|1-(3,4-dichlorophenyl)-3,3-dimethyluree|1,1-DIMETHYL-3-(3,4-DICHLOROPHENYL)UREA|3-(3,4-Dichloor-fenyl)-1,1-dimethylureum|3-(3,4-Dichlor-phenyl)-1,1-dimethyl-harnstoff|3-(3,4-Dichloro-phenyl)-1,1-dimethyl-urea|3-(3,4-DICHLOROPHENYL)-1,1-DIMETHYL UREA|3-(3,4-Dichlorophenyl)-1,1-dimethylurea|3-(3,4-Dicloro-fenyl)-1,1-dimetil-urea|Anduron|Ansaron|BRN 2215168|Caswell No. 410|Cekiuron|Crisuron|DCMU|Dichlorfenidim|Dironet|Dironzol|Dirurol|Diuron Nortox|DP Hardener 95|DPX-14740|Durashield|Dyhard UR 200|EINECS 206-354-4|EPA Pesticide Chemical Code 035505|Farmco diuron|Herbatox|Herburon|HRT Dinron|Karmex D|Karmex Diuron Herbicide|Karmex DW|Lucenit|N-(3,4-Dichlorophenyl)-N',N'-dimethylurea|N,N-Dimethyl-N'-(3,4-dichlorophenyl)urea|N,N,-dimethyl-N'-(3,4-dichlorophenyl)urea|N'-(3,4-Dichlorophenyl)-N,N-dimethyl urea|N'-(3,4-Dichlorophenyl)-N,N-dimethylurea|N'-3,4-DICHLOROPHENYL N,N-DIMETHYLUREA|NSC 8950|Preventol A 6|Seduron|Telvar Diuron Weed|102962-29-8|127641-75-2|150825-44-8|201749-62-4|56449-18-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020446
ARPathway2016 ARPathway2016_1144 Diuron 330-54-1 DTXSID0020446 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Inactive Unitless CN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1 Diuron 330-54-1|Diuron|(3-(3,4-DICHLOROPHENYL)-1,1-DIMETHYL UREA|1-(3,4-Dichlorophenyl)-3,3-dimethylurea|1-(3,4-dichlorophenyl)-3,3-dimethyluree|1,1-DIMETHYL-3-(3,4-DICHLOROPHENYL)UREA|3-(3,4-Dichloor-fenyl)-1,1-dimethylureum|3-(3,4-Dichlor-phenyl)-1,1-dimethyl-harnstoff|3-(3,4-Dichloro-phenyl)-1,1-dimethyl-urea|3-(3,4-DICHLOROPHENYL)-1,1-DIMETHYL UREA|3-(3,4-Dichlorophenyl)-1,1-dimethylurea|3-(3,4-Dicloro-fenyl)-1,1-dimetil-urea|Anduron|Ansaron|BRN 2215168|Caswell No. 410|Cekiuron|Crisuron|DCMU|Dichlorfenidim|Dironet|Dironzol|Dirurol|Diuron Nortox|DP Hardener 95|DPX-14740|Durashield|Dyhard UR 200|EINECS 206-354-4|EPA Pesticide Chemical Code 035505|Farmco diuron|Herbatox|Herburon|HRT Dinron|Karmex D|Karmex Diuron Herbicide|Karmex DW|Lucenit|N-(3,4-Dichlorophenyl)-N',N'-dimethylurea|N,N-Dimethyl-N'-(3,4-dichlorophenyl)urea|N,N,-dimethyl-N'-(3,4-dichlorophenyl)urea|N'-(3,4-Dichlorophenyl)-N,N-dimethyl urea|N'-(3,4-Dichlorophenyl)-N,N-dimethylurea|N'-3,4-DICHLOROPHENYL N,N-DIMETHYLUREA|NSC 8950|Preventol A 6|Seduron|Telvar Diuron Weed|102962-29-8|127641-75-2|150825-44-8|201749-62-4|56449-18-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020446
ARPathway2016 ARPathway2016_1144 Diuron 330-54-1 DTXSID0020446 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1 Diuron 330-54-1|Diuron|(3-(3,4-DICHLOROPHENYL)-1,1-DIMETHYL UREA|1-(3,4-Dichlorophenyl)-3,3-dimethylurea|1-(3,4-dichlorophenyl)-3,3-dimethyluree|1,1-DIMETHYL-3-(3,4-DICHLOROPHENYL)UREA|3-(3,4-Dichloor-fenyl)-1,1-dimethylureum|3-(3,4-Dichlor-phenyl)-1,1-dimethyl-harnstoff|3-(3,4-Dichloro-phenyl)-1,1-dimethyl-urea|3-(3,4-DICHLOROPHENYL)-1,1-DIMETHYL UREA|3-(3,4-Dichlorophenyl)-1,1-dimethylurea|3-(3,4-Dicloro-fenyl)-1,1-dimetil-urea|Anduron|Ansaron|BRN 2215168|Caswell No. 410|Cekiuron|Crisuron|DCMU|Dichlorfenidim|Dironet|Dironzol|Dirurol|Diuron Nortox|DP Hardener 95|DPX-14740|Durashield|Dyhard UR 200|EINECS 206-354-4|EPA Pesticide Chemical Code 035505|Farmco diuron|Herbatox|Herburon|HRT Dinron|Karmex D|Karmex Diuron Herbicide|Karmex DW|Lucenit|N-(3,4-Dichlorophenyl)-N',N'-dimethylurea|N,N-Dimethyl-N'-(3,4-dichlorophenyl)urea|N,N,-dimethyl-N'-(3,4-dichlorophenyl)urea|N'-(3,4-Dichlorophenyl)-N,N-dimethyl urea|N'-(3,4-Dichlorophenyl)-N,N-dimethylurea|N'-3,4-DICHLOROPHENYL N,N-DIMETHYLUREA|NSC 8950|Preventol A 6|Seduron|Telvar Diuron Weed|102962-29-8|127641-75-2|150825-44-8|201749-62-4|56449-18-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020446
ERPathway2016 ERPathway2016_1452 Diuron 330-54-1 DTXSID0020446 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1 Diuron 330-54-1|Diuron|(3-(3,4-DICHLOROPHENYL)-1,1-DIMETHYL UREA|1-(3,4-Dichlorophenyl)-3,3-dimethylurea|1-(3,4-dichlorophenyl)-3,3-dimethyluree|1,1-DIMETHYL-3-(3,4-DICHLOROPHENYL)UREA|3-(3,4-Dichloor-fenyl)-1,1-dimethylureum|3-(3,4-Dichlor-phenyl)-1,1-dimethyl-harnstoff|3-(3,4-Dichloro-phenyl)-1,1-dimethyl-urea|3-(3,4-DICHLOROPHENYL)-1,1-DIMETHYL UREA|3-(3,4-Dichlorophenyl)-1,1-dimethylurea|3-(3,4-Dicloro-fenyl)-1,1-dimetil-urea|Anduron|Ansaron|BRN 2215168|Caswell No. 410|Cekiuron|Crisuron|DCMU|Dichlorfenidim|Dironet|Dironzol|Dirurol|Diuron Nortox|DP Hardener 95|DPX-14740|Durashield|Dyhard UR 200|EINECS 206-354-4|EPA Pesticide Chemical Code 035505|Farmco diuron|Herbatox|Herburon|HRT Dinron|Karmex D|Karmex Diuron Herbicide|Karmex DW|Lucenit|N-(3,4-Dichlorophenyl)-N',N'-dimethylurea|N,N-Dimethyl-N'-(3,4-dichlorophenyl)urea|N,N,-dimethyl-N'-(3,4-dichlorophenyl)urea|N'-(3,4-Dichlorophenyl)-N,N-dimethyl urea|N'-(3,4-Dichlorophenyl)-N,N-dimethylurea|N'-3,4-DICHLOROPHENYL N,N-DIMETHYLUREA|NSC 8950|Preventol A 6|Seduron|Telvar Diuron Weed|102962-29-8|127641-75-2|150825-44-8|201749-62-4|56449-18-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020446
ERPathway2016 ERPathway2016_1452 Diuron 330-54-1 DTXSID0020446 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1 Diuron 330-54-1|Diuron|(3-(3,4-DICHLOROPHENYL)-1,1-DIMETHYL UREA|1-(3,4-Dichlorophenyl)-3,3-dimethylurea|1-(3,4-dichlorophenyl)-3,3-dimethyluree|1,1-DIMETHYL-3-(3,4-DICHLOROPHENYL)UREA|3-(3,4-Dichloor-fenyl)-1,1-dimethylureum|3-(3,4-Dichlor-phenyl)-1,1-dimethyl-harnstoff|3-(3,4-Dichloro-phenyl)-1,1-dimethyl-urea|3-(3,4-DICHLOROPHENYL)-1,1-DIMETHYL UREA|3-(3,4-Dichlorophenyl)-1,1-dimethylurea|3-(3,4-Dicloro-fenyl)-1,1-dimetil-urea|Anduron|Ansaron|BRN 2215168|Caswell No. 410|Cekiuron|Crisuron|DCMU|Dichlorfenidim|Dironet|Dironzol|Dirurol|Diuron Nortox|DP Hardener 95|DPX-14740|Durashield|Dyhard UR 200|EINECS 206-354-4|EPA Pesticide Chemical Code 035505|Farmco diuron|Herbatox|Herburon|HRT Dinron|Karmex D|Karmex Diuron Herbicide|Karmex DW|Lucenit|N-(3,4-Dichlorophenyl)-N',N'-dimethylurea|N,N-Dimethyl-N'-(3,4-dichlorophenyl)urea|N,N,-dimethyl-N'-(3,4-dichlorophenyl)urea|N'-(3,4-Dichlorophenyl)-N,N-dimethyl urea|N'-(3,4-Dichlorophenyl)-N,N-dimethylurea|N'-3,4-DICHLOROPHENYL N,N-DIMETHYLUREA|NSC 8950|Preventol A 6|Seduron|Telvar Diuron Weed|102962-29-8|127641-75-2|150825-44-8|201749-62-4|56449-18-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020446
ERPathway2016 ERPathway2016_1452 Diuron 330-54-1 DTXSID0020446 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1 Diuron 330-54-1|Diuron|(3-(3,4-DICHLOROPHENYL)-1,1-DIMETHYL UREA|1-(3,4-Dichlorophenyl)-3,3-dimethylurea|1-(3,4-dichlorophenyl)-3,3-dimethyluree|1,1-DIMETHYL-3-(3,4-DICHLOROPHENYL)UREA|3-(3,4-Dichloor-fenyl)-1,1-dimethylureum|3-(3,4-Dichlor-phenyl)-1,1-dimethyl-harnstoff|3-(3,4-Dichloro-phenyl)-1,1-dimethyl-urea|3-(3,4-DICHLOROPHENYL)-1,1-DIMETHYL UREA|3-(3,4-Dichlorophenyl)-1,1-dimethylurea|3-(3,4-Dicloro-fenyl)-1,1-dimetil-urea|Anduron|Ansaron|BRN 2215168|Caswell No. 410|Cekiuron|Crisuron|DCMU|Dichlorfenidim|Dironet|Dironzol|Dirurol|Diuron Nortox|DP Hardener 95|DPX-14740|Durashield|Dyhard UR 200|EINECS 206-354-4|EPA Pesticide Chemical Code 035505|Farmco diuron|Herbatox|Herburon|HRT Dinron|Karmex D|Karmex Diuron Herbicide|Karmex DW|Lucenit|N-(3,4-Dichlorophenyl)-N',N'-dimethylurea|N,N-Dimethyl-N'-(3,4-dichlorophenyl)urea|N,N,-dimethyl-N'-(3,4-dichlorophenyl)urea|N'-(3,4-Dichlorophenyl)-N,N-dimethyl urea|N'-(3,4-Dichlorophenyl)-N,N-dimethylurea|N'-3,4-DICHLOROPHENYL N,N-DIMETHYLUREA|NSC 8950|Preventol A 6|Seduron|Telvar Diuron Weed|102962-29-8|127641-75-2|150825-44-8|201749-62-4|56449-18-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020446
ERPathway2016 ERPathway2016_1452 Diuron 330-54-1 DTXSID0020446 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1 Diuron 330-54-1|Diuron|(3-(3,4-DICHLOROPHENYL)-1,1-DIMETHYL UREA|1-(3,4-Dichlorophenyl)-3,3-dimethylurea|1-(3,4-dichlorophenyl)-3,3-dimethyluree|1,1-DIMETHYL-3-(3,4-DICHLOROPHENYL)UREA|3-(3,4-Dichloor-fenyl)-1,1-dimethylureum|3-(3,4-Dichlor-phenyl)-1,1-dimethyl-harnstoff|3-(3,4-Dichloro-phenyl)-1,1-dimethyl-urea|3-(3,4-DICHLOROPHENYL)-1,1-DIMETHYL UREA|3-(3,4-Dichlorophenyl)-1,1-dimethylurea|3-(3,4-Dicloro-fenyl)-1,1-dimetil-urea|Anduron|Ansaron|BRN 2215168|Caswell No. 410|Cekiuron|Crisuron|DCMU|Dichlorfenidim|Dironet|Dironzol|Dirurol|Diuron Nortox|DP Hardener 95|DPX-14740|Durashield|Dyhard UR 200|EINECS 206-354-4|EPA Pesticide Chemical Code 035505|Farmco diuron|Herbatox|Herburon|HRT Dinron|Karmex D|Karmex Diuron Herbicide|Karmex DW|Lucenit|N-(3,4-Dichlorophenyl)-N',N'-dimethylurea|N,N-Dimethyl-N'-(3,4-dichlorophenyl)urea|N,N,-dimethyl-N'-(3,4-dichlorophenyl)urea|N'-(3,4-Dichlorophenyl)-N,N-dimethyl urea|N'-(3,4-Dichlorophenyl)-N,N-dimethylurea|N'-3,4-DICHLOROPHENYL N,N-DIMETHYLUREA|NSC 8950|Preventol A 6|Seduron|Telvar Diuron Weed|102962-29-8|127641-75-2|150825-44-8|201749-62-4|56449-18-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020446
ARPathway2016 ARPathway2016_783 Divinylbenzene 1321-74-0 DTXSID2025216 0.0 AR Pathway Model, Agonist Model Score 0 Unitless *C=C.C=CC1=CC=CC=C1 |c:6,8,t:4,m:0:8.6| Divinylbenzene 1321-74-0|Divinylbenzene|Benzene, diethenyl-|BENZENE, DIVINYL|Benzene, divinyl-|Diethenylbenzene|Divenylbenzene|divinilbenceno, puro|Divinylbenzene-55|Divinylbenzol|EINECS 215-325-5|NSC 4833|UNII-IZ715T4SBU|Vinylstyrene|1161074-32-3|142315-59-1|61804-50-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025216 https://doi.org/10.22427/NTP-DATA-DTXSID2025216
ARPathway2016 ARPathway2016_783 Divinylbenzene 1321-74-0 DTXSID2025216 0.0 AR Pathway Model, Agonist Call Inactive Unitless *C=C.C=CC1=CC=CC=C1 |c:6,8,t:4,m:0:8.6| Divinylbenzene 1321-74-0|Divinylbenzene|Benzene, diethenyl-|BENZENE, DIVINYL|Benzene, divinyl-|Diethenylbenzene|Divenylbenzene|divinilbenceno, puro|Divinylbenzene-55|Divinylbenzol|EINECS 215-325-5|NSC 4833|UNII-IZ715T4SBU|Vinylstyrene|1161074-32-3|142315-59-1|61804-50-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025216 https://doi.org/10.22427/NTP-DATA-DTXSID2025216
ARPathway2016 ARPathway2016_783 Divinylbenzene 1321-74-0 DTXSID2025216 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless *C=C.C=CC1=CC=CC=C1 |c:6,8,t:4,m:0:8.6| Divinylbenzene 1321-74-0|Divinylbenzene|Benzene, diethenyl-|BENZENE, DIVINYL|Benzene, divinyl-|Diethenylbenzene|Divenylbenzene|divinilbenceno, puro|Divinylbenzene-55|Divinylbenzol|EINECS 215-325-5|NSC 4833|UNII-IZ715T4SBU|Vinylstyrene|1161074-32-3|142315-59-1|61804-50-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025216 https://doi.org/10.22427/NTP-DATA-DTXSID2025216
ARPathway2016 ARPathway2016_783 Divinylbenzene 1321-74-0 DTXSID2025216 0.0 AR Pathway Model, Antagonist Call Inactive Unitless *C=C.C=CC1=CC=CC=C1 |c:6,8,t:4,m:0:8.6| Divinylbenzene 1321-74-0|Divinylbenzene|Benzene, diethenyl-|BENZENE, DIVINYL|Benzene, divinyl-|Diethenylbenzene|Divenylbenzene|divinilbenceno, puro|Divinylbenzene-55|Divinylbenzol|EINECS 215-325-5|NSC 4833|UNII-IZ715T4SBU|Vinylstyrene|1161074-32-3|142315-59-1|61804-50-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025216 https://doi.org/10.22427/NTP-DATA-DTXSID2025216
ERPathway2016 ERPathway2016_978 Divinylbenzene 1321-74-0 DTXSID2025216 ER Pathway Model, Agonist Model Score 0 Unitless *C=C.C=CC1=CC=CC=C1 |c:6,8,t:4,m:0:8.6| Divinylbenzene 1321-74-0|Divinylbenzene|Benzene, diethenyl-|BENZENE, DIVINYL|Benzene, divinyl-|Diethenylbenzene|Divenylbenzene|divinilbenceno, puro|Divinylbenzene-55|Divinylbenzol|EINECS 215-325-5|NSC 4833|UNII-IZ715T4SBU|Vinylstyrene|1161074-32-3|142315-59-1|61804-50-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025216 https://doi.org/10.22427/NTP-DATA-DTXSID2025216
ERPathway2016 ERPathway2016_978 Divinylbenzene 1321-74-0 DTXSID2025216 ER Pathway Model, Antagonist Model Score 0 Unitless *C=C.C=CC1=CC=CC=C1 |c:6,8,t:4,m:0:8.6| Divinylbenzene 1321-74-0|Divinylbenzene|Benzene, diethenyl-|BENZENE, DIVINYL|Benzene, divinyl-|Diethenylbenzene|Divenylbenzene|divinilbenceno, puro|Divinylbenzene-55|Divinylbenzol|EINECS 215-325-5|NSC 4833|UNII-IZ715T4SBU|Vinylstyrene|1161074-32-3|142315-59-1|61804-50-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025216 https://doi.org/10.22427/NTP-DATA-DTXSID2025216
ERPathway2016 ERPathway2016_978 Divinylbenzene 1321-74-0 DTXSID2025216 ER Pathway Model, Agonist Call Inactive Unitless *C=C.C=CC1=CC=CC=C1 |c:6,8,t:4,m:0:8.6| Divinylbenzene 1321-74-0|Divinylbenzene|Benzene, diethenyl-|BENZENE, DIVINYL|Benzene, divinyl-|Diethenylbenzene|Divenylbenzene|divinilbenceno, puro|Divinylbenzene-55|Divinylbenzol|EINECS 215-325-5|NSC 4833|UNII-IZ715T4SBU|Vinylstyrene|1161074-32-3|142315-59-1|61804-50-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025216 https://doi.org/10.22427/NTP-DATA-DTXSID2025216
ERPathway2016 ERPathway2016_978 Divinylbenzene 1321-74-0 DTXSID2025216 ER Pathway Model, Antagonist Call Inactive Unitless *C=C.C=CC1=CC=CC=C1 |c:6,8,t:4,m:0:8.6| Divinylbenzene 1321-74-0|Divinylbenzene|Benzene, diethenyl-|BENZENE, DIVINYL|Benzene, divinyl-|Diethenylbenzene|Divenylbenzene|divinilbenceno, puro|Divinylbenzene-55|Divinylbenzol|EINECS 215-325-5|NSC 4833|UNII-IZ715T4SBU|Vinylstyrene|1161074-32-3|142315-59-1|61804-50-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025216 https://doi.org/10.22427/NTP-DATA-DTXSID2025216
ARPathway2016 ARPathway2016_1072 Divinyltetramethyldisiloxane 2627-95-4 DTXSID7038810 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless C[Si](C)(O[Si](C)(C)C=C)C=C Divinyltetramethyldisiloxane 2627-95-4|Divinyltetramethyldisiloxane|1,1'-Divinyltetramethyldisiloxane|1,3-Diethenyl-1,1,3,3-tetramethyl disiloxane|1,3-Divinyl-1,1,3,3-tetramethyl disiloxane|1,3-Divinyltetramethyldisiloxane|1,3-Divinyltetramethyldisiloxane (Disiloxane, 1,3-diethenyl-1,1,3,3-tetramethyl-)|Bisvinyltetramethyldisiloxane|Disiloxane, 1,3-diethenyl-1,1,3,3-tetramethyl-|Divinyltetramethyldisiloxane|EINECS 220-099-6|sym-Tetramethyldivinyldisiloxane|UNII-SJ4D71ZQF4|846574-60-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7038810
ARPathway2016 ARPathway2016_1072 Divinyltetramethyldisiloxane 2627-95-4 DTXSID7038810 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless C[Si](C)(O[Si](C)(C)C=C)C=C Divinyltetramethyldisiloxane 2627-95-4|Divinyltetramethyldisiloxane|1,1'-Divinyltetramethyldisiloxane|1,3-Diethenyl-1,1,3,3-tetramethyl disiloxane|1,3-Divinyl-1,1,3,3-tetramethyl disiloxane|1,3-Divinyltetramethyldisiloxane|1,3-Divinyltetramethyldisiloxane (Disiloxane, 1,3-diethenyl-1,1,3,3-tetramethyl-)|Bisvinyltetramethyldisiloxane|Disiloxane, 1,3-diethenyl-1,1,3,3-tetramethyl-|Divinyltetramethyldisiloxane|EINECS 220-099-6|sym-Tetramethyldivinyldisiloxane|UNII-SJ4D71ZQF4|846574-60-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7038810
ARPathway2016 ARPathway2016_1072 Divinyltetramethyldisiloxane 2627-95-4 DTXSID7038810 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless C[Si](C)(O[Si](C)(C)C=C)C=C Divinyltetramethyldisiloxane 2627-95-4|Divinyltetramethyldisiloxane|1,1'-Divinyltetramethyldisiloxane|1,3-Diethenyl-1,1,3,3-tetramethyl disiloxane|1,3-Divinyl-1,1,3,3-tetramethyl disiloxane|1,3-Divinyltetramethyldisiloxane|1,3-Divinyltetramethyldisiloxane (Disiloxane, 1,3-diethenyl-1,1,3,3-tetramethyl-)|Bisvinyltetramethyldisiloxane|Disiloxane, 1,3-diethenyl-1,1,3,3-tetramethyl-|Divinyltetramethyldisiloxane|EINECS 220-099-6|sym-Tetramethyldivinyldisiloxane|UNII-SJ4D71ZQF4|846574-60-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7038810
ARPathway2016 ARPathway2016_1072 Divinyltetramethyldisiloxane 2627-95-4 DTXSID7038810 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless C[Si](C)(O[Si](C)(C)C=C)C=C Divinyltetramethyldisiloxane 2627-95-4|Divinyltetramethyldisiloxane|1,1'-Divinyltetramethyldisiloxane|1,3-Diethenyl-1,1,3,3-tetramethyl disiloxane|1,3-Divinyl-1,1,3,3-tetramethyl disiloxane|1,3-Divinyltetramethyldisiloxane|1,3-Divinyltetramethyldisiloxane (Disiloxane, 1,3-diethenyl-1,1,3,3-tetramethyl-)|Bisvinyltetramethyldisiloxane|Disiloxane, 1,3-diethenyl-1,1,3,3-tetramethyl-|Divinyltetramethyldisiloxane|EINECS 220-099-6|sym-Tetramethyldivinyldisiloxane|UNII-SJ4D71ZQF4|846574-60-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7038810
ERPathway2016 ERPathway2016_1411 Divinyltetramethyldisiloxane 2627-95-4 DTXSID7038810 ER Pathway Model, Agonist Model Score 0 Unitless C[Si](C)(O[Si](C)(C)C=C)C=C Divinyltetramethyldisiloxane 2627-95-4|Divinyltetramethyldisiloxane|1,1'-Divinyltetramethyldisiloxane|1,3-Diethenyl-1,1,3,3-tetramethyl disiloxane|1,3-Divinyl-1,1,3,3-tetramethyl disiloxane|1,3-Divinyltetramethyldisiloxane|1,3-Divinyltetramethyldisiloxane (Disiloxane, 1,3-diethenyl-1,1,3,3-tetramethyl-)|Bisvinyltetramethyldisiloxane|Disiloxane, 1,3-diethenyl-1,1,3,3-tetramethyl-|Divinyltetramethyldisiloxane|EINECS 220-099-6|sym-Tetramethyldivinyldisiloxane|UNII-SJ4D71ZQF4|846574-60-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7038810
ERPathway2016 ERPathway2016_1411 Divinyltetramethyldisiloxane 2627-95-4 DTXSID7038810 ER Pathway Model, Antagonist Model Score 0 Unitless C[Si](C)(O[Si](C)(C)C=C)C=C Divinyltetramethyldisiloxane 2627-95-4|Divinyltetramethyldisiloxane|1,1'-Divinyltetramethyldisiloxane|1,3-Diethenyl-1,1,3,3-tetramethyl disiloxane|1,3-Divinyl-1,1,3,3-tetramethyl disiloxane|1,3-Divinyltetramethyldisiloxane|1,3-Divinyltetramethyldisiloxane (Disiloxane, 1,3-diethenyl-1,1,3,3-tetramethyl-)|Bisvinyltetramethyldisiloxane|Disiloxane, 1,3-diethenyl-1,1,3,3-tetramethyl-|Divinyltetramethyldisiloxane|EINECS 220-099-6|sym-Tetramethyldivinyldisiloxane|UNII-SJ4D71ZQF4|846574-60-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7038810
ERPathway2016 ERPathway2016_1411 Divinyltetramethyldisiloxane 2627-95-4 DTXSID7038810 ER Pathway Model, Agonist Call Inactive Unitless C[Si](C)(O[Si](C)(C)C=C)C=C Divinyltetramethyldisiloxane 2627-95-4|Divinyltetramethyldisiloxane|1,1'-Divinyltetramethyldisiloxane|1,3-Diethenyl-1,1,3,3-tetramethyl disiloxane|1,3-Divinyl-1,1,3,3-tetramethyl disiloxane|1,3-Divinyltetramethyldisiloxane|1,3-Divinyltetramethyldisiloxane (Disiloxane, 1,3-diethenyl-1,1,3,3-tetramethyl-)|Bisvinyltetramethyldisiloxane|Disiloxane, 1,3-diethenyl-1,1,3,3-tetramethyl-|Divinyltetramethyldisiloxane|EINECS 220-099-6|sym-Tetramethyldivinyldisiloxane|UNII-SJ4D71ZQF4|846574-60-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7038810
ERPathway2016 ERPathway2016_1411 Divinyltetramethyldisiloxane 2627-95-4 DTXSID7038810 ER Pathway Model, Antagonist Call Inactive Unitless C[Si](C)(O[Si](C)(C)C=C)C=C Divinyltetramethyldisiloxane 2627-95-4|Divinyltetramethyldisiloxane|1,1'-Divinyltetramethyldisiloxane|1,3-Diethenyl-1,1,3,3-tetramethyl disiloxane|1,3-Divinyl-1,1,3,3-tetramethyl disiloxane|1,3-Divinyltetramethyldisiloxane|1,3-Divinyltetramethyldisiloxane (Disiloxane, 1,3-diethenyl-1,1,3,3-tetramethyl-)|Bisvinyltetramethyldisiloxane|Disiloxane, 1,3-diethenyl-1,1,3,3-tetramethyl-|Divinyltetramethyldisiloxane|EINECS 220-099-6|sym-Tetramethyldivinyldisiloxane|UNII-SJ4D71ZQF4|846574-60-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7038810
ARPathway2016 ARPathway2016_1272 dl-alpha-Tocopheryl acetate 52225-20-4 DTXSID3021356 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(OC(C)=O)=C2C dl-alpha-Tocopheryl acetate 52225-20-4|dl-alpha-Tocopheryl acetate|(+/-)-a-Tocopherol acetate|[2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate|[2R*(4R*,8R*)]-(+/-)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ylacetat|257-757-7|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-(+/-)-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, 6-acetate, (2R)-rel-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, acetate, (2R)-rel-|Acetate de [2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yle|acetate de [2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyranne-6-yle|all-rac-alpha-Tocopheryl acetate|all-rac-a-Tocopheryl acetate|d,l-alpha-Tocopheryl acetat|133-80-2|1407-18-7|18920-61-1|54-22-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021356
ARPathway2016 ARPathway2016_1272 dl-alpha-Tocopheryl acetate 52225-20-4 DTXSID3021356 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(OC(C)=O)=C2C dl-alpha-Tocopheryl acetate 52225-20-4|dl-alpha-Tocopheryl acetate|(+/-)-a-Tocopherol acetate|[2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate|[2R*(4R*,8R*)]-(+/-)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ylacetat|257-757-7|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-(+/-)-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, 6-acetate, (2R)-rel-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, acetate, (2R)-rel-|Acetate de [2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yle|acetate de [2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyranne-6-yle|all-rac-alpha-Tocopheryl acetate|all-rac-a-Tocopheryl acetate|d,l-alpha-Tocopheryl acetat|133-80-2|1407-18-7|18920-61-1|54-22-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021356
ARPathway2016 ARPathway2016_1272 dl-alpha-Tocopheryl acetate 52225-20-4 DTXSID3021356 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(OC(C)=O)=C2C dl-alpha-Tocopheryl acetate 52225-20-4|dl-alpha-Tocopheryl acetate|(+/-)-a-Tocopherol acetate|[2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate|[2R*(4R*,8R*)]-(+/-)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ylacetat|257-757-7|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-(+/-)-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, 6-acetate, (2R)-rel-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, acetate, (2R)-rel-|Acetate de [2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yle|acetate de [2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyranne-6-yle|all-rac-alpha-Tocopheryl acetate|all-rac-a-Tocopheryl acetate|d,l-alpha-Tocopheryl acetat|133-80-2|1407-18-7|18920-61-1|54-22-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021356
ARPathway2016 ARPathway2016_1272 dl-alpha-Tocopheryl acetate 52225-20-4 DTXSID3021356 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(OC(C)=O)=C2C dl-alpha-Tocopheryl acetate 52225-20-4|dl-alpha-Tocopheryl acetate|(+/-)-a-Tocopherol acetate|[2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate|[2R*(4R*,8R*)]-(+/-)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ylacetat|257-757-7|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-(+/-)-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, 6-acetate, (2R)-rel-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, acetate, (2R)-rel-|Acetate de [2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yle|acetate de [2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyranne-6-yle|all-rac-alpha-Tocopheryl acetate|all-rac-a-Tocopheryl acetate|d,l-alpha-Tocopheryl acetat|133-80-2|1407-18-7|18920-61-1|54-22-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021356
ERPathway2016 ERPathway2016_1509 dl-alpha-Tocopheryl acetate 52225-20-4 DTXSID3021356 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(OC(C)=O)=C2C dl-alpha-Tocopheryl acetate 52225-20-4|dl-alpha-Tocopheryl acetate|(+/-)-a-Tocopherol acetate|[2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate|[2R*(4R*,8R*)]-(+/-)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ylacetat|257-757-7|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-(+/-)-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, 6-acetate, (2R)-rel-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, acetate, (2R)-rel-|Acetate de [2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yle|acetate de [2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyranne-6-yle|all-rac-alpha-Tocopheryl acetate|all-rac-a-Tocopheryl acetate|d,l-alpha-Tocopheryl acetat|133-80-2|1407-18-7|18920-61-1|54-22-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021356
ERPathway2016 ERPathway2016_1509 dl-alpha-Tocopheryl acetate 52225-20-4 DTXSID3021356 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(OC(C)=O)=C2C dl-alpha-Tocopheryl acetate 52225-20-4|dl-alpha-Tocopheryl acetate|(+/-)-a-Tocopherol acetate|[2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate|[2R*(4R*,8R*)]-(+/-)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ylacetat|257-757-7|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-(+/-)-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, 6-acetate, (2R)-rel-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, acetate, (2R)-rel-|Acetate de [2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yle|acetate de [2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyranne-6-yle|all-rac-alpha-Tocopheryl acetate|all-rac-a-Tocopheryl acetate|d,l-alpha-Tocopheryl acetat|133-80-2|1407-18-7|18920-61-1|54-22-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021356
ERPathway2016 ERPathway2016_1509 dl-alpha-Tocopheryl acetate 52225-20-4 DTXSID3021356 ER Pathway Model, Agonist Call Inactive Unitless CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(OC(C)=O)=C2C dl-alpha-Tocopheryl acetate 52225-20-4|dl-alpha-Tocopheryl acetate|(+/-)-a-Tocopherol acetate|[2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate|[2R*(4R*,8R*)]-(+/-)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ylacetat|257-757-7|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-(+/-)-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, 6-acetate, (2R)-rel-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, acetate, (2R)-rel-|Acetate de [2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yle|acetate de [2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyranne-6-yle|all-rac-alpha-Tocopheryl acetate|all-rac-a-Tocopheryl acetate|d,l-alpha-Tocopheryl acetat|133-80-2|1407-18-7|18920-61-1|54-22-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021356
ERPathway2016 ERPathway2016_1509 dl-alpha-Tocopheryl acetate 52225-20-4 DTXSID3021356 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(OC(C)=O)=C2C dl-alpha-Tocopheryl acetate 52225-20-4|dl-alpha-Tocopheryl acetate|(+/-)-a-Tocopherol acetate|[2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate|[2R*(4R*,8R*)]-(+/-)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ylacetat|257-757-7|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, [2R*(4R*,8R*)]-(+/-)-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, 6-acetate, (2R)-rel-|2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, acetate, (2R)-rel-|Acetate de [2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yle|acetate de [2R*(4R*,8R*)]-(+/-)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyranne-6-yle|all-rac-alpha-Tocopheryl acetate|all-rac-a-Tocopheryl acetate|d,l-alpha-Tocopheryl acetat|133-80-2|1407-18-7|18920-61-1|54-22-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021356
ARPathway2016 ARPathway2016_1689 dl-Menthol 89-78-1 DTXSID1020805 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O dl-Menthol 89-78-1|dl-Menthol|(.+-.)-Menthol|(+-)-Menthol|(1R,2S,5R)-Menthol|(1R,2S,5R)-rel-5-Methyl-2-(1-methylethyl)cyclohexanol|(1a,2b,5a)-5-Methyl-2-(1-methylethyl)cyclohexanol|2-06-00-00052|3-P-MENTHANOL|4-06-00-00151|5-METHYL-2-(1-METHYLETHYL)-CYCLOHEXANOL|5-Methyl-2-(1-methylethyl)cyclohexanol, (1alpha,2beta,5alpha)-|BRN 1902288|BRN 3194263|Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-|CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, (1a,2.b,5a)-(+-)-|Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1a,2b,5a)-|EINECS 201-939-0|EINECS 239-388-3|Fisherman's Friend Lozenges|Headache crystals|Hexahydrothymol|Menthacamphor|MENTHOL CRYSTAL|MENTHOL CRYSTALS, USP|Menthol natural|Menthol natural, brazilian|MENTHOL RAC.|Menthol racemic|Menthol racemique|Menthol, cis-1,3,trans-1,4-|MENTHOL, DL-|Menthomenthol|NCI-C50000|NSC 2603|Peppermint camphor|rac-Menthol|Racementhol|Racementholum|Racementol|Therapeutic Mineral Ice|Thymomenthol|Tra-kill tracheal mite killer|UNII-YS08XHA860|15356-70-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020805
ARPathway2016 ARPathway2016_1689 dl-Menthol 89-78-1 DTXSID1020805 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O dl-Menthol 89-78-1|dl-Menthol|(.+-.)-Menthol|(+-)-Menthol|(1R,2S,5R)-Menthol|(1R,2S,5R)-rel-5-Methyl-2-(1-methylethyl)cyclohexanol|(1a,2b,5a)-5-Methyl-2-(1-methylethyl)cyclohexanol|2-06-00-00052|3-P-MENTHANOL|4-06-00-00151|5-METHYL-2-(1-METHYLETHYL)-CYCLOHEXANOL|5-Methyl-2-(1-methylethyl)cyclohexanol, (1alpha,2beta,5alpha)-|BRN 1902288|BRN 3194263|Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-|CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, (1a,2.b,5a)-(+-)-|Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1a,2b,5a)-|EINECS 201-939-0|EINECS 239-388-3|Fisherman's Friend Lozenges|Headache crystals|Hexahydrothymol|Menthacamphor|MENTHOL CRYSTAL|MENTHOL CRYSTALS, USP|Menthol natural|Menthol natural, brazilian|MENTHOL RAC.|Menthol racemic|Menthol racemique|Menthol, cis-1,3,trans-1,4-|MENTHOL, DL-|Menthomenthol|NCI-C50000|NSC 2603|Peppermint camphor|rac-Menthol|Racementhol|Racementholum|Racementol|Therapeutic Mineral Ice|Thymomenthol|Tra-kill tracheal mite killer|UNII-YS08XHA860|15356-70-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020805
ARPathway2016 ARPathway2016_1689 dl-Menthol 89-78-1 DTXSID1020805 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O dl-Menthol 89-78-1|dl-Menthol|(.+-.)-Menthol|(+-)-Menthol|(1R,2S,5R)-Menthol|(1R,2S,5R)-rel-5-Methyl-2-(1-methylethyl)cyclohexanol|(1a,2b,5a)-5-Methyl-2-(1-methylethyl)cyclohexanol|2-06-00-00052|3-P-MENTHANOL|4-06-00-00151|5-METHYL-2-(1-METHYLETHYL)-CYCLOHEXANOL|5-Methyl-2-(1-methylethyl)cyclohexanol, (1alpha,2beta,5alpha)-|BRN 1902288|BRN 3194263|Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-|CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, (1a,2.b,5a)-(+-)-|Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1a,2b,5a)-|EINECS 201-939-0|EINECS 239-388-3|Fisherman's Friend Lozenges|Headache crystals|Hexahydrothymol|Menthacamphor|MENTHOL CRYSTAL|MENTHOL CRYSTALS, USP|Menthol natural|Menthol natural, brazilian|MENTHOL RAC.|Menthol racemic|Menthol racemique|Menthol, cis-1,3,trans-1,4-|MENTHOL, DL-|Menthomenthol|NCI-C50000|NSC 2603|Peppermint camphor|rac-Menthol|Racementhol|Racementholum|Racementol|Therapeutic Mineral Ice|Thymomenthol|Tra-kill tracheal mite killer|UNII-YS08XHA860|15356-70-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020805
ARPathway2016 ARPathway2016_1689 dl-Menthol 89-78-1 DTXSID1020805 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O dl-Menthol 89-78-1|dl-Menthol|(.+-.)-Menthol|(+-)-Menthol|(1R,2S,5R)-Menthol|(1R,2S,5R)-rel-5-Methyl-2-(1-methylethyl)cyclohexanol|(1a,2b,5a)-5-Methyl-2-(1-methylethyl)cyclohexanol|2-06-00-00052|3-P-MENTHANOL|4-06-00-00151|5-METHYL-2-(1-METHYLETHYL)-CYCLOHEXANOL|5-Methyl-2-(1-methylethyl)cyclohexanol, (1alpha,2beta,5alpha)-|BRN 1902288|BRN 3194263|Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-|CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, (1a,2.b,5a)-(+-)-|Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1a,2b,5a)-|EINECS 201-939-0|EINECS 239-388-3|Fisherman's Friend Lozenges|Headache crystals|Hexahydrothymol|Menthacamphor|MENTHOL CRYSTAL|MENTHOL CRYSTALS, USP|Menthol natural|Menthol natural, brazilian|MENTHOL RAC.|Menthol racemic|Menthol racemique|Menthol, cis-1,3,trans-1,4-|MENTHOL, DL-|Menthomenthol|NCI-C50000|NSC 2603|Peppermint camphor|rac-Menthol|Racementhol|Racementholum|Racementol|Therapeutic Mineral Ice|Thymomenthol|Tra-kill tracheal mite killer|UNII-YS08XHA860|15356-70-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020805
ERPathway2016 ERPathway2016_1727 dl-Menthol 89-78-1 DTXSID1020805 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O dl-Menthol 89-78-1|dl-Menthol|(.+-.)-Menthol|(+-)-Menthol|(1R,2S,5R)-Menthol|(1R,2S,5R)-rel-5-Methyl-2-(1-methylethyl)cyclohexanol|(1a,2b,5a)-5-Methyl-2-(1-methylethyl)cyclohexanol|2-06-00-00052|3-P-MENTHANOL|4-06-00-00151|5-METHYL-2-(1-METHYLETHYL)-CYCLOHEXANOL|5-Methyl-2-(1-methylethyl)cyclohexanol, (1alpha,2beta,5alpha)-|BRN 1902288|BRN 3194263|Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-|CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, (1a,2.b,5a)-(+-)-|Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1a,2b,5a)-|EINECS 201-939-0|EINECS 239-388-3|Fisherman's Friend Lozenges|Headache crystals|Hexahydrothymol|Menthacamphor|MENTHOL CRYSTAL|MENTHOL CRYSTALS, USP|Menthol natural|Menthol natural, brazilian|MENTHOL RAC.|Menthol racemic|Menthol racemique|Menthol, cis-1,3,trans-1,4-|MENTHOL, DL-|Menthomenthol|NCI-C50000|NSC 2603|Peppermint camphor|rac-Menthol|Racementhol|Racementholum|Racementol|Therapeutic Mineral Ice|Thymomenthol|Tra-kill tracheal mite killer|UNII-YS08XHA860|15356-70-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020805
ERPathway2016 ERPathway2016_1727 dl-Menthol 89-78-1 DTXSID1020805 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O dl-Menthol 89-78-1|dl-Menthol|(.+-.)-Menthol|(+-)-Menthol|(1R,2S,5R)-Menthol|(1R,2S,5R)-rel-5-Methyl-2-(1-methylethyl)cyclohexanol|(1a,2b,5a)-5-Methyl-2-(1-methylethyl)cyclohexanol|2-06-00-00052|3-P-MENTHANOL|4-06-00-00151|5-METHYL-2-(1-METHYLETHYL)-CYCLOHEXANOL|5-Methyl-2-(1-methylethyl)cyclohexanol, (1alpha,2beta,5alpha)-|BRN 1902288|BRN 3194263|Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-|CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, (1a,2.b,5a)-(+-)-|Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1a,2b,5a)-|EINECS 201-939-0|EINECS 239-388-3|Fisherman's Friend Lozenges|Headache crystals|Hexahydrothymol|Menthacamphor|MENTHOL CRYSTAL|MENTHOL CRYSTALS, USP|Menthol natural|Menthol natural, brazilian|MENTHOL RAC.|Menthol racemic|Menthol racemique|Menthol, cis-1,3,trans-1,4-|MENTHOL, DL-|Menthomenthol|NCI-C50000|NSC 2603|Peppermint camphor|rac-Menthol|Racementhol|Racementholum|Racementol|Therapeutic Mineral Ice|Thymomenthol|Tra-kill tracheal mite killer|UNII-YS08XHA860|15356-70-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020805
ERPathway2016 ERPathway2016_1727 dl-Menthol 89-78-1 DTXSID1020805 ER Pathway Model, Agonist Call Inactive Unitless CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O dl-Menthol 89-78-1|dl-Menthol|(.+-.)-Menthol|(+-)-Menthol|(1R,2S,5R)-Menthol|(1R,2S,5R)-rel-5-Methyl-2-(1-methylethyl)cyclohexanol|(1a,2b,5a)-5-Methyl-2-(1-methylethyl)cyclohexanol|2-06-00-00052|3-P-MENTHANOL|4-06-00-00151|5-METHYL-2-(1-METHYLETHYL)-CYCLOHEXANOL|5-Methyl-2-(1-methylethyl)cyclohexanol, (1alpha,2beta,5alpha)-|BRN 1902288|BRN 3194263|Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-|CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, (1a,2.b,5a)-(+-)-|Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1a,2b,5a)-|EINECS 201-939-0|EINECS 239-388-3|Fisherman's Friend Lozenges|Headache crystals|Hexahydrothymol|Menthacamphor|MENTHOL CRYSTAL|MENTHOL CRYSTALS, USP|Menthol natural|Menthol natural, brazilian|MENTHOL RAC.|Menthol racemic|Menthol racemique|Menthol, cis-1,3,trans-1,4-|MENTHOL, DL-|Menthomenthol|NCI-C50000|NSC 2603|Peppermint camphor|rac-Menthol|Racementhol|Racementholum|Racementol|Therapeutic Mineral Ice|Thymomenthol|Tra-kill tracheal mite killer|UNII-YS08XHA860|15356-70-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020805
ERPathway2016 ERPathway2016_1727 dl-Menthol 89-78-1 DTXSID1020805 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O dl-Menthol 89-78-1|dl-Menthol|(.+-.)-Menthol|(+-)-Menthol|(1R,2S,5R)-Menthol|(1R,2S,5R)-rel-5-Methyl-2-(1-methylethyl)cyclohexanol|(1a,2b,5a)-5-Methyl-2-(1-methylethyl)cyclohexanol|2-06-00-00052|3-P-MENTHANOL|4-06-00-00151|5-METHYL-2-(1-METHYLETHYL)-CYCLOHEXANOL|5-Methyl-2-(1-methylethyl)cyclohexanol, (1alpha,2beta,5alpha)-|BRN 1902288|BRN 3194263|Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-|CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, (1a,2.b,5a)-(+-)-|Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1a,2b,5a)-|EINECS 201-939-0|EINECS 239-388-3|Fisherman's Friend Lozenges|Headache crystals|Hexahydrothymol|Menthacamphor|MENTHOL CRYSTAL|MENTHOL CRYSTALS, USP|Menthol natural|Menthol natural, brazilian|MENTHOL RAC.|Menthol racemic|Menthol racemique|Menthol, cis-1,3,trans-1,4-|MENTHOL, DL-|Menthomenthol|NCI-C50000|NSC 2603|Peppermint camphor|rac-Menthol|Racementhol|Racementholum|Racementol|Therapeutic Mineral Ice|Thymomenthol|Tra-kill tracheal mite killer|UNII-YS08XHA860|15356-70-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020805
ARPathway2016 ARPathway2016_1498 D-Mannitol 69-65-8 DTXSID1023235 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO D-Mannitol 69-65-8|D-Mannitol|(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol|(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol|1,2,3,4,5,6-Hexanehexol|4-01-00-02841|BRN 1721898|Bronchitol|Cerestar 16700|Cordycepate|Cordycepic acid|D-(-)-Mannitol|D-manitol|D-Mannit|Diosmol|dulcite|E 421|E-421|E421|EINECS 200-711-8|Hexahydroxyhexane|Hexanhexol|Invenex|Isotol|Manicol|Maniton S|Maniton-S|Manna sugar|Mannazucker|Mannidex|Mannidex 16700|Mannigen|Mannistol|Mannit|Mannit P|Mannit S|Mannite|Mannitol|Mannitol 10%|Mannitol 10% in plastic container|Mannitol 10% w/ dextrose 5% in distilled water|Mannitol 15%|Mannitol 15% in plastic container|Mannitol 15% w/ dextrose 5% in sodium chloride 0.45%|Mannitol 20%|Mannitol 20% in plastic container|Mannitol 25%|Mannitol 5%|Mannitol 5% in plastic container|Mannitol 5% w/ dextrose 5% in sodium chloride 0.12%|MANNITOL, D-|Mannitolum|Mannogem 2080|Mannogem EZ|Marine Crystal|Mushroom sugar|NCI-C50362|Nonpareil 108(200)|NSC 407017|Osmitrol|Osmitrol 10% in water|Osmitrol 10% in water in plastic container|Osmitrol 15% in water|Osmitrol|1081757-07-4|123897-58-5|75398-80-0|85085-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023235 https://doi.org/10.22427/NTP-DATA-DTXSID1023235
ARPathway2016 ARPathway2016_1498 D-Mannitol 69-65-8 DTXSID1023235 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO D-Mannitol 69-65-8|D-Mannitol|(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol|(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol|1,2,3,4,5,6-Hexanehexol|4-01-00-02841|BRN 1721898|Bronchitol|Cerestar 16700|Cordycepate|Cordycepic acid|D-(-)-Mannitol|D-manitol|D-Mannit|Diosmol|dulcite|E 421|E-421|E421|EINECS 200-711-8|Hexahydroxyhexane|Hexanhexol|Invenex|Isotol|Manicol|Maniton S|Maniton-S|Manna sugar|Mannazucker|Mannidex|Mannidex 16700|Mannigen|Mannistol|Mannit|Mannit P|Mannit S|Mannite|Mannitol|Mannitol 10%|Mannitol 10% in plastic container|Mannitol 10% w/ dextrose 5% in distilled water|Mannitol 15%|Mannitol 15% in plastic container|Mannitol 15% w/ dextrose 5% in sodium chloride 0.45%|Mannitol 20%|Mannitol 20% in plastic container|Mannitol 25%|Mannitol 5%|Mannitol 5% in plastic container|Mannitol 5% w/ dextrose 5% in sodium chloride 0.12%|MANNITOL, D-|Mannitolum|Mannogem 2080|Mannogem EZ|Marine Crystal|Mushroom sugar|NCI-C50362|Nonpareil 108(200)|NSC 407017|Osmitrol|Osmitrol 10% in water|Osmitrol 10% in water in plastic container|Osmitrol 15% in water|Osmitrol|1081757-07-4|123897-58-5|75398-80-0|85085-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023235 https://doi.org/10.22427/NTP-DATA-DTXSID1023235
ARPathway2016 ARPathway2016_1498 D-Mannitol 69-65-8 DTXSID1023235 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO D-Mannitol 69-65-8|D-Mannitol|(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol|(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol|1,2,3,4,5,6-Hexanehexol|4-01-00-02841|BRN 1721898|Bronchitol|Cerestar 16700|Cordycepate|Cordycepic acid|D-(-)-Mannitol|D-manitol|D-Mannit|Diosmol|dulcite|E 421|E-421|E421|EINECS 200-711-8|Hexahydroxyhexane|Hexanhexol|Invenex|Isotol|Manicol|Maniton S|Maniton-S|Manna sugar|Mannazucker|Mannidex|Mannidex 16700|Mannigen|Mannistol|Mannit|Mannit P|Mannit S|Mannite|Mannitol|Mannitol 10%|Mannitol 10% in plastic container|Mannitol 10% w/ dextrose 5% in distilled water|Mannitol 15%|Mannitol 15% in plastic container|Mannitol 15% w/ dextrose 5% in sodium chloride 0.45%|Mannitol 20%|Mannitol 20% in plastic container|Mannitol 25%|Mannitol 5%|Mannitol 5% in plastic container|Mannitol 5% w/ dextrose 5% in sodium chloride 0.12%|MANNITOL, D-|Mannitolum|Mannogem 2080|Mannogem EZ|Marine Crystal|Mushroom sugar|NCI-C50362|Nonpareil 108(200)|NSC 407017|Osmitrol|Osmitrol 10% in water|Osmitrol 10% in water in plastic container|Osmitrol 15% in water|Osmitrol|1081757-07-4|123897-58-5|75398-80-0|85085-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023235 https://doi.org/10.22427/NTP-DATA-DTXSID1023235
ARPathway2016 ARPathway2016_1498 D-Mannitol 69-65-8 DTXSID1023235 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO D-Mannitol 69-65-8|D-Mannitol|(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol|(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol|1,2,3,4,5,6-Hexanehexol|4-01-00-02841|BRN 1721898|Bronchitol|Cerestar 16700|Cordycepate|Cordycepic acid|D-(-)-Mannitol|D-manitol|D-Mannit|Diosmol|dulcite|E 421|E-421|E421|EINECS 200-711-8|Hexahydroxyhexane|Hexanhexol|Invenex|Isotol|Manicol|Maniton S|Maniton-S|Manna sugar|Mannazucker|Mannidex|Mannidex 16700|Mannigen|Mannistol|Mannit|Mannit P|Mannit S|Mannite|Mannitol|Mannitol 10%|Mannitol 10% in plastic container|Mannitol 10% w/ dextrose 5% in distilled water|Mannitol 15%|Mannitol 15% in plastic container|Mannitol 15% w/ dextrose 5% in sodium chloride 0.45%|Mannitol 20%|Mannitol 20% in plastic container|Mannitol 25%|Mannitol 5%|Mannitol 5% in plastic container|Mannitol 5% w/ dextrose 5% in sodium chloride 0.12%|MANNITOL, D-|Mannitolum|Mannogem 2080|Mannogem EZ|Marine Crystal|Mushroom sugar|NCI-C50362|Nonpareil 108(200)|NSC 407017|Osmitrol|Osmitrol 10% in water|Osmitrol 10% in water in plastic container|Osmitrol 15% in water|Osmitrol|1081757-07-4|123897-58-5|75398-80-0|85085-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023235 https://doi.org/10.22427/NTP-DATA-DTXSID1023235
ERPathway2016 ERPathway2016_1619 D-Mannitol 69-65-8 DTXSID1023235 ER Pathway Model, Agonist Model Score 0 Unitless OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO D-Mannitol 69-65-8|D-Mannitol|(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol|(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol|1,2,3,4,5,6-Hexanehexol|4-01-00-02841|BRN 1721898|Bronchitol|Cerestar 16700|Cordycepate|Cordycepic acid|D-(-)-Mannitol|D-manitol|D-Mannit|Diosmol|dulcite|E 421|E-421|E421|EINECS 200-711-8|Hexahydroxyhexane|Hexanhexol|Invenex|Isotol|Manicol|Maniton S|Maniton-S|Manna sugar|Mannazucker|Mannidex|Mannidex 16700|Mannigen|Mannistol|Mannit|Mannit P|Mannit S|Mannite|Mannitol|Mannitol 10%|Mannitol 10% in plastic container|Mannitol 10% w/ dextrose 5% in distilled water|Mannitol 15%|Mannitol 15% in plastic container|Mannitol 15% w/ dextrose 5% in sodium chloride 0.45%|Mannitol 20%|Mannitol 20% in plastic container|Mannitol 25%|Mannitol 5%|Mannitol 5% in plastic container|Mannitol 5% w/ dextrose 5% in sodium chloride 0.12%|MANNITOL, D-|Mannitolum|Mannogem 2080|Mannogem EZ|Marine Crystal|Mushroom sugar|NCI-C50362|Nonpareil 108(200)|NSC 407017|Osmitrol|Osmitrol 10% in water|Osmitrol 10% in water in plastic container|Osmitrol 15% in water|Osmitrol|1081757-07-4|123897-58-5|75398-80-0|85085-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023235 https://doi.org/10.22427/NTP-DATA-DTXSID1023235
ERPathway2016 ERPathway2016_1619 D-Mannitol 69-65-8 DTXSID1023235 ER Pathway Model, Antagonist Model Score 0 Unitless OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO D-Mannitol 69-65-8|D-Mannitol|(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol|(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol|1,2,3,4,5,6-Hexanehexol|4-01-00-02841|BRN 1721898|Bronchitol|Cerestar 16700|Cordycepate|Cordycepic acid|D-(-)-Mannitol|D-manitol|D-Mannit|Diosmol|dulcite|E 421|E-421|E421|EINECS 200-711-8|Hexahydroxyhexane|Hexanhexol|Invenex|Isotol|Manicol|Maniton S|Maniton-S|Manna sugar|Mannazucker|Mannidex|Mannidex 16700|Mannigen|Mannistol|Mannit|Mannit P|Mannit S|Mannite|Mannitol|Mannitol 10%|Mannitol 10% in plastic container|Mannitol 10% w/ dextrose 5% in distilled water|Mannitol 15%|Mannitol 15% in plastic container|Mannitol 15% w/ dextrose 5% in sodium chloride 0.45%|Mannitol 20%|Mannitol 20% in plastic container|Mannitol 25%|Mannitol 5%|Mannitol 5% in plastic container|Mannitol 5% w/ dextrose 5% in sodium chloride 0.12%|MANNITOL, D-|Mannitolum|Mannogem 2080|Mannogem EZ|Marine Crystal|Mushroom sugar|NCI-C50362|Nonpareil 108(200)|NSC 407017|Osmitrol|Osmitrol 10% in water|Osmitrol 10% in water in plastic container|Osmitrol 15% in water|Osmitrol|1081757-07-4|123897-58-5|75398-80-0|85085-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023235 https://doi.org/10.22427/NTP-DATA-DTXSID1023235
ERPathway2016 ERPathway2016_1619 D-Mannitol 69-65-8 DTXSID1023235 ER Pathway Model, Agonist Call Inactive Unitless OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO D-Mannitol 69-65-8|D-Mannitol|(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol|(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol|1,2,3,4,5,6-Hexanehexol|4-01-00-02841|BRN 1721898|Bronchitol|Cerestar 16700|Cordycepate|Cordycepic acid|D-(-)-Mannitol|D-manitol|D-Mannit|Diosmol|dulcite|E 421|E-421|E421|EINECS 200-711-8|Hexahydroxyhexane|Hexanhexol|Invenex|Isotol|Manicol|Maniton S|Maniton-S|Manna sugar|Mannazucker|Mannidex|Mannidex 16700|Mannigen|Mannistol|Mannit|Mannit P|Mannit S|Mannite|Mannitol|Mannitol 10%|Mannitol 10% in plastic container|Mannitol 10% w/ dextrose 5% in distilled water|Mannitol 15%|Mannitol 15% in plastic container|Mannitol 15% w/ dextrose 5% in sodium chloride 0.45%|Mannitol 20%|Mannitol 20% in plastic container|Mannitol 25%|Mannitol 5%|Mannitol 5% in plastic container|Mannitol 5% w/ dextrose 5% in sodium chloride 0.12%|MANNITOL, D-|Mannitolum|Mannogem 2080|Mannogem EZ|Marine Crystal|Mushroom sugar|NCI-C50362|Nonpareil 108(200)|NSC 407017|Osmitrol|Osmitrol 10% in water|Osmitrol 10% in water in plastic container|Osmitrol 15% in water|Osmitrol|1081757-07-4|123897-58-5|75398-80-0|85085-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023235 https://doi.org/10.22427/NTP-DATA-DTXSID1023235
ERPathway2016 ERPathway2016_1619 D-Mannitol 69-65-8 DTXSID1023235 ER Pathway Model, Antagonist Call Inactive Unitless OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO D-Mannitol 69-65-8|D-Mannitol|(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol|(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol|1,2,3,4,5,6-Hexanehexol|4-01-00-02841|BRN 1721898|Bronchitol|Cerestar 16700|Cordycepate|Cordycepic acid|D-(-)-Mannitol|D-manitol|D-Mannit|Diosmol|dulcite|E 421|E-421|E421|EINECS 200-711-8|Hexahydroxyhexane|Hexanhexol|Invenex|Isotol|Manicol|Maniton S|Maniton-S|Manna sugar|Mannazucker|Mannidex|Mannidex 16700|Mannigen|Mannistol|Mannit|Mannit P|Mannit S|Mannite|Mannitol|Mannitol 10%|Mannitol 10% in plastic container|Mannitol 10% w/ dextrose 5% in distilled water|Mannitol 15%|Mannitol 15% in plastic container|Mannitol 15% w/ dextrose 5% in sodium chloride 0.45%|Mannitol 20%|Mannitol 20% in plastic container|Mannitol 25%|Mannitol 5%|Mannitol 5% in plastic container|Mannitol 5% w/ dextrose 5% in sodium chloride 0.12%|MANNITOL, D-|Mannitolum|Mannogem 2080|Mannogem EZ|Marine Crystal|Mushroom sugar|NCI-C50362|Nonpareil 108(200)|NSC 407017|Osmitrol|Osmitrol 10% in water|Osmitrol 10% in water in plastic container|Osmitrol 15% in water|Osmitrol|1081757-07-4|123897-58-5|75398-80-0|85085-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023235 https://doi.org/10.22427/NTP-DATA-DTXSID1023235
ARPathway2016 ARPathway2016_371 Docusate sodium 577-11-7 DTXSID8022959 0.0 Agonist AR Pathway Model, Antagonist ACC 19.08508423 uM [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O Docusate sodium 577-11-7|Docusate sodium|1,4-Bis(2-ethylhexyl) sodium sulfosuccinate|1,4-BIS(2-ETHYLHEXYL)SULFOSUCCINIC ACID SODIUM SALT|2-Ethylhexyl sulfosuccinate sodium|Acrosol OT 100|Adekacol EC 4500|Adekacol EC 8600|Aerosol A 501|Aerosol AOT|Aerosol GPG|Aerosol OT|Aerosol OT 100|Aerosol OT 70|Aerosol OT 70PG|Aerosol OT 75|Aerosol OT 75E|Aerosol OT 75PG|Aerosol OT 94|Aerosol OT-A|Aerosol OT-B|Aerosol OT-S|Airrol CT 1|Airrol CT 1L|Airrol OP|Alcopol O|Alkasurf SS-O 75|Alphasol OT|Astrowet 608|Astrowet O 70PG|Astrowet O 75|Bis-2-ethylhexylester sulfojantaranu sodneho|Bis(2-ethylhexyl) S-sodium sulfosuccinate|Bis(2-ethylhexyl) sodiosulfosuccinate|Bis(2-ethylhexyl) sodium sulfosuccinate|Bis(2-ethylhexyl) sulfosuccinate sodium salt|Bis(2-ethylhexyl)sodium sulfosuccinate|Bis(ethylhexyl) ester of sodium sulfosuccinic acid|Bloat treatment|Butanedioic acid, 2-sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt (1:1)|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl)ester, sodium salt|Butanedioic|105956-73-8|106396-28-5|110162-65-7|113255-61-1|12640-70-9|130390-93-1|133136-80-8|135843-72-0|138893-51-3|141092-35-5|1420177-77-0|154608-80-7|1644530-78-8|1792189-42-4|1859189-40-4|1878156-39-8|201816-76-4|202352-75-8|2068022-40-0|209122-63-4|209453-97-4|2101416-24-2|2152615-06-8|2170442-07-4|2222995-19-7|2230042-82-5|2326599-43-1|29732-38-5|336190-18-2|435344-47-1|51910-13-5|52624-44-9|53023-94-2|56833-49-9|59030-04-5|590366-27-1|60202-21-3|66812-62-2|67924-68-9|75418-10-9|76689-26-4|78207-03-1|835616-33-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022959
ARPathway2016 ARPathway2016_371 Docusate sodium 577-11-7 DTXSID8022959 0.0 Agonist AR Pathway Model, Antagonist AC50 19.35717708 uM [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O Docusate sodium 577-11-7|Docusate sodium|1,4-Bis(2-ethylhexyl) sodium sulfosuccinate|1,4-BIS(2-ETHYLHEXYL)SULFOSUCCINIC ACID SODIUM SALT|2-Ethylhexyl sulfosuccinate sodium|Acrosol OT 100|Adekacol EC 4500|Adekacol EC 8600|Aerosol A 501|Aerosol AOT|Aerosol GPG|Aerosol OT|Aerosol OT 100|Aerosol OT 70|Aerosol OT 70PG|Aerosol OT 75|Aerosol OT 75E|Aerosol OT 75PG|Aerosol OT 94|Aerosol OT-A|Aerosol OT-B|Aerosol OT-S|Airrol CT 1|Airrol CT 1L|Airrol OP|Alcopol O|Alkasurf SS-O 75|Alphasol OT|Astrowet 608|Astrowet O 70PG|Astrowet O 75|Bis-2-ethylhexylester sulfojantaranu sodneho|Bis(2-ethylhexyl) S-sodium sulfosuccinate|Bis(2-ethylhexyl) sodiosulfosuccinate|Bis(2-ethylhexyl) sodium sulfosuccinate|Bis(2-ethylhexyl) sulfosuccinate sodium salt|Bis(2-ethylhexyl)sodium sulfosuccinate|Bis(ethylhexyl) ester of sodium sulfosuccinic acid|Bloat treatment|Butanedioic acid, 2-sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt (1:1)|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl)ester, sodium salt|Butanedioic|105956-73-8|106396-28-5|110162-65-7|113255-61-1|12640-70-9|130390-93-1|133136-80-8|135843-72-0|138893-51-3|141092-35-5|1420177-77-0|154608-80-7|1644530-78-8|1792189-42-4|1859189-40-4|1878156-39-8|201816-76-4|202352-75-8|2068022-40-0|209122-63-4|209453-97-4|2101416-24-2|2152615-06-8|2170442-07-4|2222995-19-7|2230042-82-5|2326599-43-1|29732-38-5|336190-18-2|435344-47-1|51910-13-5|52624-44-9|53023-94-2|56833-49-9|59030-04-5|590366-27-1|60202-21-3|66812-62-2|67924-68-9|75418-10-9|76689-26-4|78207-03-1|835616-33-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022959
ARPathway2016 ARPathway2016_371 Docusate sodium 577-11-7 DTXSID8022959 0.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O Docusate sodium 577-11-7|Docusate sodium|1,4-Bis(2-ethylhexyl) sodium sulfosuccinate|1,4-BIS(2-ETHYLHEXYL)SULFOSUCCINIC ACID SODIUM SALT|2-Ethylhexyl sulfosuccinate sodium|Acrosol OT 100|Adekacol EC 4500|Adekacol EC 8600|Aerosol A 501|Aerosol AOT|Aerosol GPG|Aerosol OT|Aerosol OT 100|Aerosol OT 70|Aerosol OT 70PG|Aerosol OT 75|Aerosol OT 75E|Aerosol OT 75PG|Aerosol OT 94|Aerosol OT-A|Aerosol OT-B|Aerosol OT-S|Airrol CT 1|Airrol CT 1L|Airrol OP|Alcopol O|Alkasurf SS-O 75|Alphasol OT|Astrowet 608|Astrowet O 70PG|Astrowet O 75|Bis-2-ethylhexylester sulfojantaranu sodneho|Bis(2-ethylhexyl) S-sodium sulfosuccinate|Bis(2-ethylhexyl) sodiosulfosuccinate|Bis(2-ethylhexyl) sodium sulfosuccinate|Bis(2-ethylhexyl) sulfosuccinate sodium salt|Bis(2-ethylhexyl)sodium sulfosuccinate|Bis(ethylhexyl) ester of sodium sulfosuccinic acid|Bloat treatment|Butanedioic acid, 2-sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt (1:1)|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl)ester, sodium salt|Butanedioic|105956-73-8|106396-28-5|110162-65-7|113255-61-1|12640-70-9|130390-93-1|133136-80-8|135843-72-0|138893-51-3|141092-35-5|1420177-77-0|154608-80-7|1644530-78-8|1792189-42-4|1859189-40-4|1878156-39-8|201816-76-4|202352-75-8|2068022-40-0|209122-63-4|209453-97-4|2101416-24-2|2152615-06-8|2170442-07-4|2222995-19-7|2230042-82-5|2326599-43-1|29732-38-5|336190-18-2|435344-47-1|51910-13-5|52624-44-9|53023-94-2|56833-49-9|59030-04-5|590366-27-1|60202-21-3|66812-62-2|67924-68-9|75418-10-9|76689-26-4|78207-03-1|835616-33-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022959
ARPathway2016 ARPathway2016_371 Docusate sodium 577-11-7 DTXSID8022959 0.0 Agonist AR Pathway Model, Agonist Model Score 0.124 Unitless [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O Docusate sodium 577-11-7|Docusate sodium|1,4-Bis(2-ethylhexyl) sodium sulfosuccinate|1,4-BIS(2-ETHYLHEXYL)SULFOSUCCINIC ACID SODIUM SALT|2-Ethylhexyl sulfosuccinate sodium|Acrosol OT 100|Adekacol EC 4500|Adekacol EC 8600|Aerosol A 501|Aerosol AOT|Aerosol GPG|Aerosol OT|Aerosol OT 100|Aerosol OT 70|Aerosol OT 70PG|Aerosol OT 75|Aerosol OT 75E|Aerosol OT 75PG|Aerosol OT 94|Aerosol OT-A|Aerosol OT-B|Aerosol OT-S|Airrol CT 1|Airrol CT 1L|Airrol OP|Alcopol O|Alkasurf SS-O 75|Alphasol OT|Astrowet 608|Astrowet O 70PG|Astrowet O 75|Bis-2-ethylhexylester sulfojantaranu sodneho|Bis(2-ethylhexyl) S-sodium sulfosuccinate|Bis(2-ethylhexyl) sodiosulfosuccinate|Bis(2-ethylhexyl) sodium sulfosuccinate|Bis(2-ethylhexyl) sulfosuccinate sodium salt|Bis(2-ethylhexyl)sodium sulfosuccinate|Bis(ethylhexyl) ester of sodium sulfosuccinic acid|Bloat treatment|Butanedioic acid, 2-sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt (1:1)|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl)ester, sodium salt|Butanedioic|105956-73-8|106396-28-5|110162-65-7|113255-61-1|12640-70-9|130390-93-1|133136-80-8|135843-72-0|138893-51-3|141092-35-5|1420177-77-0|154608-80-7|1644530-78-8|1792189-42-4|1859189-40-4|1878156-39-8|201816-76-4|202352-75-8|2068022-40-0|209122-63-4|209453-97-4|2101416-24-2|2152615-06-8|2170442-07-4|2222995-19-7|2230042-82-5|2326599-43-1|29732-38-5|336190-18-2|435344-47-1|51910-13-5|52624-44-9|53023-94-2|56833-49-9|59030-04-5|590366-27-1|60202-21-3|66812-62-2|67924-68-9|75418-10-9|76689-26-4|78207-03-1|835616-33-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022959
ARPathway2016 ARPathway2016_371 Docusate sodium 577-11-7 DTXSID8022959 0.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O Docusate sodium 577-11-7|Docusate sodium|1,4-Bis(2-ethylhexyl) sodium sulfosuccinate|1,4-BIS(2-ETHYLHEXYL)SULFOSUCCINIC ACID SODIUM SALT|2-Ethylhexyl sulfosuccinate sodium|Acrosol OT 100|Adekacol EC 4500|Adekacol EC 8600|Aerosol A 501|Aerosol AOT|Aerosol GPG|Aerosol OT|Aerosol OT 100|Aerosol OT 70|Aerosol OT 70PG|Aerosol OT 75|Aerosol OT 75E|Aerosol OT 75PG|Aerosol OT 94|Aerosol OT-A|Aerosol OT-B|Aerosol OT-S|Airrol CT 1|Airrol CT 1L|Airrol OP|Alcopol O|Alkasurf SS-O 75|Alphasol OT|Astrowet 608|Astrowet O 70PG|Astrowet O 75|Bis-2-ethylhexylester sulfojantaranu sodneho|Bis(2-ethylhexyl) S-sodium sulfosuccinate|Bis(2-ethylhexyl) sodiosulfosuccinate|Bis(2-ethylhexyl) sodium sulfosuccinate|Bis(2-ethylhexyl) sulfosuccinate sodium salt|Bis(2-ethylhexyl)sodium sulfosuccinate|Bis(ethylhexyl) ester of sodium sulfosuccinic acid|Bloat treatment|Butanedioic acid, 2-sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt (1:1)|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl)ester, sodium salt|Butanedioic|105956-73-8|106396-28-5|110162-65-7|113255-61-1|12640-70-9|130390-93-1|133136-80-8|135843-72-0|138893-51-3|141092-35-5|1420177-77-0|154608-80-7|1644530-78-8|1792189-42-4|1859189-40-4|1878156-39-8|201816-76-4|202352-75-8|2068022-40-0|209122-63-4|209453-97-4|2101416-24-2|2152615-06-8|2170442-07-4|2222995-19-7|2230042-82-5|2326599-43-1|29732-38-5|336190-18-2|435344-47-1|51910-13-5|52624-44-9|53023-94-2|56833-49-9|59030-04-5|590366-27-1|60202-21-3|66812-62-2|67924-68-9|75418-10-9|76689-26-4|78207-03-1|835616-33-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022959
ARPathway2016 ARPathway2016_371 Docusate sodium 577-11-7 DTXSID8022959 0.0 Agonist AR Pathway Model, Antagonist Call Active Unitless [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O Docusate sodium 577-11-7|Docusate sodium|1,4-Bis(2-ethylhexyl) sodium sulfosuccinate|1,4-BIS(2-ETHYLHEXYL)SULFOSUCCINIC ACID SODIUM SALT|2-Ethylhexyl sulfosuccinate sodium|Acrosol OT 100|Adekacol EC 4500|Adekacol EC 8600|Aerosol A 501|Aerosol AOT|Aerosol GPG|Aerosol OT|Aerosol OT 100|Aerosol OT 70|Aerosol OT 70PG|Aerosol OT 75|Aerosol OT 75E|Aerosol OT 75PG|Aerosol OT 94|Aerosol OT-A|Aerosol OT-B|Aerosol OT-S|Airrol CT 1|Airrol CT 1L|Airrol OP|Alcopol O|Alkasurf SS-O 75|Alphasol OT|Astrowet 608|Astrowet O 70PG|Astrowet O 75|Bis-2-ethylhexylester sulfojantaranu sodneho|Bis(2-ethylhexyl) S-sodium sulfosuccinate|Bis(2-ethylhexyl) sodiosulfosuccinate|Bis(2-ethylhexyl) sodium sulfosuccinate|Bis(2-ethylhexyl) sulfosuccinate sodium salt|Bis(2-ethylhexyl)sodium sulfosuccinate|Bis(ethylhexyl) ester of sodium sulfosuccinic acid|Bloat treatment|Butanedioic acid, 2-sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt (1:1)|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl)ester, sodium salt|Butanedioic|105956-73-8|106396-28-5|110162-65-7|113255-61-1|12640-70-9|130390-93-1|133136-80-8|135843-72-0|138893-51-3|141092-35-5|1420177-77-0|154608-80-7|1644530-78-8|1792189-42-4|1859189-40-4|1878156-39-8|201816-76-4|202352-75-8|2068022-40-0|209122-63-4|209453-97-4|2101416-24-2|2152615-06-8|2170442-07-4|2222995-19-7|2230042-82-5|2326599-43-1|29732-38-5|336190-18-2|435344-47-1|51910-13-5|52624-44-9|53023-94-2|56833-49-9|59030-04-5|590366-27-1|60202-21-3|66812-62-2|67924-68-9|75418-10-9|76689-26-4|78207-03-1|835616-33-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022959
ERPathway2016 ERPathway2016_662 Docusate sodium 577-11-7 DTXSID8022959 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O Docusate sodium 577-11-7|Docusate sodium|1,4-Bis(2-ethylhexyl) sodium sulfosuccinate|1,4-BIS(2-ETHYLHEXYL)SULFOSUCCINIC ACID SODIUM SALT|2-Ethylhexyl sulfosuccinate sodium|Acrosol OT 100|Adekacol EC 4500|Adekacol EC 8600|Aerosol A 501|Aerosol AOT|Aerosol GPG|Aerosol OT|Aerosol OT 100|Aerosol OT 70|Aerosol OT 70PG|Aerosol OT 75|Aerosol OT 75E|Aerosol OT 75PG|Aerosol OT 94|Aerosol OT-A|Aerosol OT-B|Aerosol OT-S|Airrol CT 1|Airrol CT 1L|Airrol OP|Alcopol O|Alkasurf SS-O 75|Alphasol OT|Astrowet 608|Astrowet O 70PG|Astrowet O 75|Bis-2-ethylhexylester sulfojantaranu sodneho|Bis(2-ethylhexyl) S-sodium sulfosuccinate|Bis(2-ethylhexyl) sodiosulfosuccinate|Bis(2-ethylhexyl) sodium sulfosuccinate|Bis(2-ethylhexyl) sulfosuccinate sodium salt|Bis(2-ethylhexyl)sodium sulfosuccinate|Bis(ethylhexyl) ester of sodium sulfosuccinic acid|Bloat treatment|Butanedioic acid, 2-sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt (1:1)|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl)ester, sodium salt|Butanedioic|105956-73-8|106396-28-5|110162-65-7|113255-61-1|12640-70-9|130390-93-1|133136-80-8|135843-72-0|138893-51-3|141092-35-5|1420177-77-0|154608-80-7|1644530-78-8|1792189-42-4|1859189-40-4|1878156-39-8|201816-76-4|202352-75-8|2068022-40-0|209122-63-4|209453-97-4|2101416-24-2|2152615-06-8|2170442-07-4|2222995-19-7|2230042-82-5|2326599-43-1|29732-38-5|336190-18-2|435344-47-1|51910-13-5|52624-44-9|53023-94-2|56833-49-9|59030-04-5|590366-27-1|60202-21-3|66812-62-2|67924-68-9|75418-10-9|76689-26-4|78207-03-1|835616-33-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022959
ERPathway2016 ERPathway2016_662 Docusate sodium 577-11-7 DTXSID8022959 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O Docusate sodium 577-11-7|Docusate sodium|1,4-Bis(2-ethylhexyl) sodium sulfosuccinate|1,4-BIS(2-ETHYLHEXYL)SULFOSUCCINIC ACID SODIUM SALT|2-Ethylhexyl sulfosuccinate sodium|Acrosol OT 100|Adekacol EC 4500|Adekacol EC 8600|Aerosol A 501|Aerosol AOT|Aerosol GPG|Aerosol OT|Aerosol OT 100|Aerosol OT 70|Aerosol OT 70PG|Aerosol OT 75|Aerosol OT 75E|Aerosol OT 75PG|Aerosol OT 94|Aerosol OT-A|Aerosol OT-B|Aerosol OT-S|Airrol CT 1|Airrol CT 1L|Airrol OP|Alcopol O|Alkasurf SS-O 75|Alphasol OT|Astrowet 608|Astrowet O 70PG|Astrowet O 75|Bis-2-ethylhexylester sulfojantaranu sodneho|Bis(2-ethylhexyl) S-sodium sulfosuccinate|Bis(2-ethylhexyl) sodiosulfosuccinate|Bis(2-ethylhexyl) sodium sulfosuccinate|Bis(2-ethylhexyl) sulfosuccinate sodium salt|Bis(2-ethylhexyl)sodium sulfosuccinate|Bis(ethylhexyl) ester of sodium sulfosuccinic acid|Bloat treatment|Butanedioic acid, 2-sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt (1:1)|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl)ester, sodium salt|Butanedioic|105956-73-8|106396-28-5|110162-65-7|113255-61-1|12640-70-9|130390-93-1|133136-80-8|135843-72-0|138893-51-3|141092-35-5|1420177-77-0|154608-80-7|1644530-78-8|1792189-42-4|1859189-40-4|1878156-39-8|201816-76-4|202352-75-8|2068022-40-0|209122-63-4|209453-97-4|2101416-24-2|2152615-06-8|2170442-07-4|2222995-19-7|2230042-82-5|2326599-43-1|29732-38-5|336190-18-2|435344-47-1|51910-13-5|52624-44-9|53023-94-2|56833-49-9|59030-04-5|590366-27-1|60202-21-3|66812-62-2|67924-68-9|75418-10-9|76689-26-4|78207-03-1|835616-33-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022959
ERPathway2016 ERPathway2016_662 Docusate sodium 577-11-7 DTXSID8022959 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O Docusate sodium 577-11-7|Docusate sodium|1,4-Bis(2-ethylhexyl) sodium sulfosuccinate|1,4-BIS(2-ETHYLHEXYL)SULFOSUCCINIC ACID SODIUM SALT|2-Ethylhexyl sulfosuccinate sodium|Acrosol OT 100|Adekacol EC 4500|Adekacol EC 8600|Aerosol A 501|Aerosol AOT|Aerosol GPG|Aerosol OT|Aerosol OT 100|Aerosol OT 70|Aerosol OT 70PG|Aerosol OT 75|Aerosol OT 75E|Aerosol OT 75PG|Aerosol OT 94|Aerosol OT-A|Aerosol OT-B|Aerosol OT-S|Airrol CT 1|Airrol CT 1L|Airrol OP|Alcopol O|Alkasurf SS-O 75|Alphasol OT|Astrowet 608|Astrowet O 70PG|Astrowet O 75|Bis-2-ethylhexylester sulfojantaranu sodneho|Bis(2-ethylhexyl) S-sodium sulfosuccinate|Bis(2-ethylhexyl) sodiosulfosuccinate|Bis(2-ethylhexyl) sodium sulfosuccinate|Bis(2-ethylhexyl) sulfosuccinate sodium salt|Bis(2-ethylhexyl)sodium sulfosuccinate|Bis(ethylhexyl) ester of sodium sulfosuccinic acid|Bloat treatment|Butanedioic acid, 2-sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt (1:1)|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl)ester, sodium salt|Butanedioic|105956-73-8|106396-28-5|110162-65-7|113255-61-1|12640-70-9|130390-93-1|133136-80-8|135843-72-0|138893-51-3|141092-35-5|1420177-77-0|154608-80-7|1644530-78-8|1792189-42-4|1859189-40-4|1878156-39-8|201816-76-4|202352-75-8|2068022-40-0|209122-63-4|209453-97-4|2101416-24-2|2152615-06-8|2170442-07-4|2222995-19-7|2230042-82-5|2326599-43-1|29732-38-5|336190-18-2|435344-47-1|51910-13-5|52624-44-9|53023-94-2|56833-49-9|59030-04-5|590366-27-1|60202-21-3|66812-62-2|67924-68-9|75418-10-9|76689-26-4|78207-03-1|835616-33-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022959
ERPathway2016 ERPathway2016_662 Docusate sodium 577-11-7 DTXSID8022959 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O Docusate sodium 577-11-7|Docusate sodium|1,4-Bis(2-ethylhexyl) sodium sulfosuccinate|1,4-BIS(2-ETHYLHEXYL)SULFOSUCCINIC ACID SODIUM SALT|2-Ethylhexyl sulfosuccinate sodium|Acrosol OT 100|Adekacol EC 4500|Adekacol EC 8600|Aerosol A 501|Aerosol AOT|Aerosol GPG|Aerosol OT|Aerosol OT 100|Aerosol OT 70|Aerosol OT 70PG|Aerosol OT 75|Aerosol OT 75E|Aerosol OT 75PG|Aerosol OT 94|Aerosol OT-A|Aerosol OT-B|Aerosol OT-S|Airrol CT 1|Airrol CT 1L|Airrol OP|Alcopol O|Alkasurf SS-O 75|Alphasol OT|Astrowet 608|Astrowet O 70PG|Astrowet O 75|Bis-2-ethylhexylester sulfojantaranu sodneho|Bis(2-ethylhexyl) S-sodium sulfosuccinate|Bis(2-ethylhexyl) sodiosulfosuccinate|Bis(2-ethylhexyl) sodium sulfosuccinate|Bis(2-ethylhexyl) sulfosuccinate sodium salt|Bis(2-ethylhexyl)sodium sulfosuccinate|Bis(ethylhexyl) ester of sodium sulfosuccinic acid|Bloat treatment|Butanedioic acid, 2-sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt (1:1)|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt|Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl)ester, sodium salt|Butanedioic|105956-73-8|106396-28-5|110162-65-7|113255-61-1|12640-70-9|130390-93-1|133136-80-8|135843-72-0|138893-51-3|141092-35-5|1420177-77-0|154608-80-7|1644530-78-8|1792189-42-4|1859189-40-4|1878156-39-8|201816-76-4|202352-75-8|2068022-40-0|209122-63-4|209453-97-4|2101416-24-2|2152615-06-8|2170442-07-4|2222995-19-7|2230042-82-5|2326599-43-1|29732-38-5|336190-18-2|435344-47-1|51910-13-5|52624-44-9|53023-94-2|56833-49-9|59030-04-5|590366-27-1|60202-21-3|66812-62-2|67924-68-9|75418-10-9|76689-26-4|78207-03-1|835616-33-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022959
ARPathway2016 ARPathway2016_849 Dodecanoic acid 143-07-7 DTXSID5021590 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCC(O)=O Dodecanoic acid 143-07-7|Dodecanoic acid|1-Undecanecarboxylate|1-Undecanecarboxylic acid|4-02-00-01082|ABL|Acide laurique|acido laurico, puro|Aliphat No. 4|BRN 1099477|C12 fatty acid|C12:0|CH3-[CH2]10-COOH|Coconut oil fatty acids|DAO|Dedaconoic acid|Dodecoic acid|Dodecylate|Dodecylcarboxylate|Dodecylic acid|Duodecyclic acid|Duodecylic acid|Edenor C 1298-100|EINECS 205-582-1|Emery 651|FEMA No. 2614|Hydrofol acid 1255|Hydrofol acid 1295|Hystrene 9512|Kortacid 1299|Laurate|Lauric acid|Laurinsaeure|Laurinsaure|Laurostearate|Laurostearic acid|Lunac L 70|Lunac L 98|N-Dodecanoate|n-Dodecanoic acid|Neo-Fat 12|Neo-Fat 12-43|Ninol AA62 Extra|Nissan NAA 122|NSC 5026|NSC-5026|Philacid 1200|Prifac 2920|Prifac 2922|Undecane-1-carboxylic acid|UNII-1160N9NU9U|Univol U 314|Univol U-314|Vulvate|Vulvic acid|Wecoline 1295|203714-07-2|7632-48-6|8000-62-2|8045-27-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021590 https://doi.org/10.22427/NTP-DATA-DTXSID5021590
ARPathway2016 ARPathway2016_849 Dodecanoic acid 143-07-7 DTXSID5021590 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCC(O)=O Dodecanoic acid 143-07-7|Dodecanoic acid|1-Undecanecarboxylate|1-Undecanecarboxylic acid|4-02-00-01082|ABL|Acide laurique|acido laurico, puro|Aliphat No. 4|BRN 1099477|C12 fatty acid|C12:0|CH3-[CH2]10-COOH|Coconut oil fatty acids|DAO|Dedaconoic acid|Dodecoic acid|Dodecylate|Dodecylcarboxylate|Dodecylic acid|Duodecyclic acid|Duodecylic acid|Edenor C 1298-100|EINECS 205-582-1|Emery 651|FEMA No. 2614|Hydrofol acid 1255|Hydrofol acid 1295|Hystrene 9512|Kortacid 1299|Laurate|Lauric acid|Laurinsaeure|Laurinsaure|Laurostearate|Laurostearic acid|Lunac L 70|Lunac L 98|N-Dodecanoate|n-Dodecanoic acid|Neo-Fat 12|Neo-Fat 12-43|Ninol AA62 Extra|Nissan NAA 122|NSC 5026|NSC-5026|Philacid 1200|Prifac 2920|Prifac 2922|Undecane-1-carboxylic acid|UNII-1160N9NU9U|Univol U 314|Univol U-314|Vulvate|Vulvic acid|Wecoline 1295|203714-07-2|7632-48-6|8000-62-2|8045-27-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021590 https://doi.org/10.22427/NTP-DATA-DTXSID5021590
ARPathway2016 ARPathway2016_849 Dodecanoic acid 143-07-7 DTXSID5021590 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCC(O)=O Dodecanoic acid 143-07-7|Dodecanoic acid|1-Undecanecarboxylate|1-Undecanecarboxylic acid|4-02-00-01082|ABL|Acide laurique|acido laurico, puro|Aliphat No. 4|BRN 1099477|C12 fatty acid|C12:0|CH3-[CH2]10-COOH|Coconut oil fatty acids|DAO|Dedaconoic acid|Dodecoic acid|Dodecylate|Dodecylcarboxylate|Dodecylic acid|Duodecyclic acid|Duodecylic acid|Edenor C 1298-100|EINECS 205-582-1|Emery 651|FEMA No. 2614|Hydrofol acid 1255|Hydrofol acid 1295|Hystrene 9512|Kortacid 1299|Laurate|Lauric acid|Laurinsaeure|Laurinsaure|Laurostearate|Laurostearic acid|Lunac L 70|Lunac L 98|N-Dodecanoate|n-Dodecanoic acid|Neo-Fat 12|Neo-Fat 12-43|Ninol AA62 Extra|Nissan NAA 122|NSC 5026|NSC-5026|Philacid 1200|Prifac 2920|Prifac 2922|Undecane-1-carboxylic acid|UNII-1160N9NU9U|Univol U 314|Univol U-314|Vulvate|Vulvic acid|Wecoline 1295|203714-07-2|7632-48-6|8000-62-2|8045-27-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021590 https://doi.org/10.22427/NTP-DATA-DTXSID5021590
ARPathway2016 ARPathway2016_849 Dodecanoic acid 143-07-7 DTXSID5021590 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCC(O)=O Dodecanoic acid 143-07-7|Dodecanoic acid|1-Undecanecarboxylate|1-Undecanecarboxylic acid|4-02-00-01082|ABL|Acide laurique|acido laurico, puro|Aliphat No. 4|BRN 1099477|C12 fatty acid|C12:0|CH3-[CH2]10-COOH|Coconut oil fatty acids|DAO|Dedaconoic acid|Dodecoic acid|Dodecylate|Dodecylcarboxylate|Dodecylic acid|Duodecyclic acid|Duodecylic acid|Edenor C 1298-100|EINECS 205-582-1|Emery 651|FEMA No. 2614|Hydrofol acid 1255|Hydrofol acid 1295|Hystrene 9512|Kortacid 1299|Laurate|Lauric acid|Laurinsaeure|Laurinsaure|Laurostearate|Laurostearic acid|Lunac L 70|Lunac L 98|N-Dodecanoate|n-Dodecanoic acid|Neo-Fat 12|Neo-Fat 12-43|Ninol AA62 Extra|Nissan NAA 122|NSC 5026|NSC-5026|Philacid 1200|Prifac 2920|Prifac 2922|Undecane-1-carboxylic acid|UNII-1160N9NU9U|Univol U 314|Univol U-314|Vulvate|Vulvic acid|Wecoline 1295|203714-07-2|7632-48-6|8000-62-2|8045-27-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021590 https://doi.org/10.22427/NTP-DATA-DTXSID5021590
ERPathway2016 ERPathway2016_134 Dodecanoic acid 143-07-7 DTXSID5021590 A3 ER Pathway Model, Agonist AC50 6.85427603139454 uM CCCCCCCCCCCC(O)=O Dodecanoic acid 143-07-7|Dodecanoic acid|1-Undecanecarboxylate|1-Undecanecarboxylic acid|4-02-00-01082|ABL|Acide laurique|acido laurico, puro|Aliphat No. 4|BRN 1099477|C12 fatty acid|C12:0|CH3-[CH2]10-COOH|Coconut oil fatty acids|DAO|Dedaconoic acid|Dodecoic acid|Dodecylate|Dodecylcarboxylate|Dodecylic acid|Duodecyclic acid|Duodecylic acid|Edenor C 1298-100|EINECS 205-582-1|Emery 651|FEMA No. 2614|Hydrofol acid 1255|Hydrofol acid 1295|Hystrene 9512|Kortacid 1299|Laurate|Lauric acid|Laurinsaeure|Laurinsaure|Laurostearate|Laurostearic acid|Lunac L 70|Lunac L 98|N-Dodecanoate|n-Dodecanoic acid|Neo-Fat 12|Neo-Fat 12-43|Ninol AA62 Extra|Nissan NAA 122|NSC 5026|NSC-5026|Philacid 1200|Prifac 2920|Prifac 2922|Undecane-1-carboxylic acid|UNII-1160N9NU9U|Univol U 314|Univol U-314|Vulvate|Vulvic acid|Wecoline 1295|203714-07-2|7632-48-6|8000-62-2|8045-27-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021590 https://doi.org/10.22427/NTP-DATA-DTXSID5021590
ERPathway2016 ERPathway2016_134 Dodecanoic acid 143-07-7 DTXSID5021590 A3 ER Pathway Model, Agonist ACC 4.58105982043437 uM CCCCCCCCCCCC(O)=O Dodecanoic acid 143-07-7|Dodecanoic acid|1-Undecanecarboxylate|1-Undecanecarboxylic acid|4-02-00-01082|ABL|Acide laurique|acido laurico, puro|Aliphat No. 4|BRN 1099477|C12 fatty acid|C12:0|CH3-[CH2]10-COOH|Coconut oil fatty acids|DAO|Dedaconoic acid|Dodecoic acid|Dodecylate|Dodecylcarboxylate|Dodecylic acid|Duodecyclic acid|Duodecylic acid|Edenor C 1298-100|EINECS 205-582-1|Emery 651|FEMA No. 2614|Hydrofol acid 1255|Hydrofol acid 1295|Hystrene 9512|Kortacid 1299|Laurate|Lauric acid|Laurinsaeure|Laurinsaure|Laurostearate|Laurostearic acid|Lunac L 70|Lunac L 98|N-Dodecanoate|n-Dodecanoic acid|Neo-Fat 12|Neo-Fat 12-43|Ninol AA62 Extra|Nissan NAA 122|NSC 5026|NSC-5026|Philacid 1200|Prifac 2920|Prifac 2922|Undecane-1-carboxylic acid|UNII-1160N9NU9U|Univol U 314|Univol U-314|Vulvate|Vulvic acid|Wecoline 1295|203714-07-2|7632-48-6|8000-62-2|8045-27-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021590 https://doi.org/10.22427/NTP-DATA-DTXSID5021590
ERPathway2016 ERPathway2016_134 Dodecanoic acid 143-07-7 DTXSID5021590 A3 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCC(O)=O Dodecanoic acid 143-07-7|Dodecanoic acid|1-Undecanecarboxylate|1-Undecanecarboxylic acid|4-02-00-01082|ABL|Acide laurique|acido laurico, puro|Aliphat No. 4|BRN 1099477|C12 fatty acid|C12:0|CH3-[CH2]10-COOH|Coconut oil fatty acids|DAO|Dedaconoic acid|Dodecoic acid|Dodecylate|Dodecylcarboxylate|Dodecylic acid|Duodecyclic acid|Duodecylic acid|Edenor C 1298-100|EINECS 205-582-1|Emery 651|FEMA No. 2614|Hydrofol acid 1255|Hydrofol acid 1295|Hystrene 9512|Kortacid 1299|Laurate|Lauric acid|Laurinsaeure|Laurinsaure|Laurostearate|Laurostearic acid|Lunac L 70|Lunac L 98|N-Dodecanoate|n-Dodecanoic acid|Neo-Fat 12|Neo-Fat 12-43|Ninol AA62 Extra|Nissan NAA 122|NSC 5026|NSC-5026|Philacid 1200|Prifac 2920|Prifac 2922|Undecane-1-carboxylic acid|UNII-1160N9NU9U|Univol U 314|Univol U-314|Vulvate|Vulvic acid|Wecoline 1295|203714-07-2|7632-48-6|8000-62-2|8045-27-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021590 https://doi.org/10.22427/NTP-DATA-DTXSID5021590
ERPathway2016 ERPathway2016_134 Dodecanoic acid 143-07-7 DTXSID5021590 A3 ER Pathway Model, Antagonist Model Score 0.017 Unitless CCCCCCCCCCCC(O)=O Dodecanoic acid 143-07-7|Dodecanoic acid|1-Undecanecarboxylate|1-Undecanecarboxylic acid|4-02-00-01082|ABL|Acide laurique|acido laurico, puro|Aliphat No. 4|BRN 1099477|C12 fatty acid|C12:0|CH3-[CH2]10-COOH|Coconut oil fatty acids|DAO|Dedaconoic acid|Dodecoic acid|Dodecylate|Dodecylcarboxylate|Dodecylic acid|Duodecyclic acid|Duodecylic acid|Edenor C 1298-100|EINECS 205-582-1|Emery 651|FEMA No. 2614|Hydrofol acid 1255|Hydrofol acid 1295|Hystrene 9512|Kortacid 1299|Laurate|Lauric acid|Laurinsaeure|Laurinsaure|Laurostearate|Laurostearic acid|Lunac L 70|Lunac L 98|N-Dodecanoate|n-Dodecanoic acid|Neo-Fat 12|Neo-Fat 12-43|Ninol AA62 Extra|Nissan NAA 122|NSC 5026|NSC-5026|Philacid 1200|Prifac 2920|Prifac 2922|Undecane-1-carboxylic acid|UNII-1160N9NU9U|Univol U 314|Univol U-314|Vulvate|Vulvic acid|Wecoline 1295|203714-07-2|7632-48-6|8000-62-2|8045-27-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021590 https://doi.org/10.22427/NTP-DATA-DTXSID5021590
ERPathway2016 ERPathway2016_134 Dodecanoic acid 143-07-7 DTXSID5021590 A3 ER Pathway Model, Agonist Call Active Unitless CCCCCCCCCCCC(O)=O Dodecanoic acid 143-07-7|Dodecanoic acid|1-Undecanecarboxylate|1-Undecanecarboxylic acid|4-02-00-01082|ABL|Acide laurique|acido laurico, puro|Aliphat No. 4|BRN 1099477|C12 fatty acid|C12:0|CH3-[CH2]10-COOH|Coconut oil fatty acids|DAO|Dedaconoic acid|Dodecoic acid|Dodecylate|Dodecylcarboxylate|Dodecylic acid|Duodecyclic acid|Duodecylic acid|Edenor C 1298-100|EINECS 205-582-1|Emery 651|FEMA No. 2614|Hydrofol acid 1255|Hydrofol acid 1295|Hystrene 9512|Kortacid 1299|Laurate|Lauric acid|Laurinsaeure|Laurinsaure|Laurostearate|Laurostearic acid|Lunac L 70|Lunac L 98|N-Dodecanoate|n-Dodecanoic acid|Neo-Fat 12|Neo-Fat 12-43|Ninol AA62 Extra|Nissan NAA 122|NSC 5026|NSC-5026|Philacid 1200|Prifac 2920|Prifac 2922|Undecane-1-carboxylic acid|UNII-1160N9NU9U|Univol U 314|Univol U-314|Vulvate|Vulvic acid|Wecoline 1295|203714-07-2|7632-48-6|8000-62-2|8045-27-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021590 https://doi.org/10.22427/NTP-DATA-DTXSID5021590
ERPathway2016 ERPathway2016_134 Dodecanoic acid 143-07-7 DTXSID5021590 A3 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCC(O)=O Dodecanoic acid 143-07-7|Dodecanoic acid|1-Undecanecarboxylate|1-Undecanecarboxylic acid|4-02-00-01082|ABL|Acide laurique|acido laurico, puro|Aliphat No. 4|BRN 1099477|C12 fatty acid|C12:0|CH3-[CH2]10-COOH|Coconut oil fatty acids|DAO|Dedaconoic acid|Dodecoic acid|Dodecylate|Dodecylcarboxylate|Dodecylic acid|Duodecyclic acid|Duodecylic acid|Edenor C 1298-100|EINECS 205-582-1|Emery 651|FEMA No. 2614|Hydrofol acid 1255|Hydrofol acid 1295|Hystrene 9512|Kortacid 1299|Laurate|Lauric acid|Laurinsaeure|Laurinsaure|Laurostearate|Laurostearic acid|Lunac L 70|Lunac L 98|N-Dodecanoate|n-Dodecanoic acid|Neo-Fat 12|Neo-Fat 12-43|Ninol AA62 Extra|Nissan NAA 122|NSC 5026|NSC-5026|Philacid 1200|Prifac 2920|Prifac 2922|Undecane-1-carboxylic acid|UNII-1160N9NU9U|Univol U 314|Univol U-314|Vulvate|Vulvic acid|Wecoline 1295|203714-07-2|7632-48-6|8000-62-2|8045-27-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021590 https://doi.org/10.22427/NTP-DATA-DTXSID5021590
ARPathway2016 ARPathway2016_350 Dodecyl sulfate triethanolamine salt 139-96-8 DTXSID4027076 1.0 Agonist AR Pathway Model, Antagonist ACC 1.32680774670838 uM OCCN(CCO)CCO.CCCCCCCCCCCCOS(O)(=O)=O Dodecyl sulfate triethanolamine salt 139-96-8|Dodecyl sulfate triethanolamine salt|Akyposal TLS|Alscoap NM 40T|Alscoap TL 40T|Carsonol TLS|Cycloryl TAWF|Cycloryl WAT|DeSulf TLS 40|Dodecyl sulfate triethanolamine salt|Dodecyl sulfate, C12H25SO4H, compd. with 2,2',2''-nitrilotriethanol|DODECYL-TRIS-(2-HYDROXYAETHYL)-AMMONIUM-SULFAT|EINECS 205-388-7|Elfan 4240 T|Elfan 4240T|Emal TD|Emal TD-L|Emersal 6434|Empicol TL 40T|Genapol LRT 40|Lauryl sulfate ester triethanolamine salt|Lauryl sulfate triethanolamine salt|Laurylsulfuric acid triethanolamine salt|Maprofix TLS|Maprofix TLS 500|Maprofix TLS 65|Melanol LP 20T|Melanol LP20T|Nikkol TEALS|Nikkol TEALS 42|Nissan Persoft SFT|Norfox TLS|Perlankrol ATL 40|Persoft SFT|Propaste T|Rewopol TLS 40|Richonol T|Sapanol AT|Sinolin TP|Sipon LT|Sipon LT 40|Sipon LT-40|Standapol T|Standapol TLS 40|Steinapol TLS 40|Stepanol WAT|Sterling WAT|Sulfate de tris(2-hydroxyethyl)ammonium et de decyle|Sulfate de tris(2-hydroxyethyl)ammonium et de dodecyle|sulfato de tris(2-hidroxietil)amonio y decilo|Sulfetal KT 400|Sulfetal LT|Sulfuric acid monododecyl ester compd. with|1509-21-3|54119-48-1|65842-83-3|71123-79-0|84617-26-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027076
ARPathway2016 ARPathway2016_350 Dodecyl sulfate triethanolamine salt 139-96-8 DTXSID4027076 1.0 Agonist AR Pathway Model, Antagonist AC50 2.24017929195573 uM OCCN(CCO)CCO.CCCCCCCCCCCCOS(O)(=O)=O Dodecyl sulfate triethanolamine salt 139-96-8|Dodecyl sulfate triethanolamine salt|Akyposal TLS|Alscoap NM 40T|Alscoap TL 40T|Carsonol TLS|Cycloryl TAWF|Cycloryl WAT|DeSulf TLS 40|Dodecyl sulfate triethanolamine salt|Dodecyl sulfate, C12H25SO4H, compd. with 2,2',2''-nitrilotriethanol|DODECYL-TRIS-(2-HYDROXYAETHYL)-AMMONIUM-SULFAT|EINECS 205-388-7|Elfan 4240 T|Elfan 4240T|Emal TD|Emal TD-L|Emersal 6434|Empicol TL 40T|Genapol LRT 40|Lauryl sulfate ester triethanolamine salt|Lauryl sulfate triethanolamine salt|Laurylsulfuric acid triethanolamine salt|Maprofix TLS|Maprofix TLS 500|Maprofix TLS 65|Melanol LP 20T|Melanol LP20T|Nikkol TEALS|Nikkol TEALS 42|Nissan Persoft SFT|Norfox TLS|Perlankrol ATL 40|Persoft SFT|Propaste T|Rewopol TLS 40|Richonol T|Sapanol AT|Sinolin TP|Sipon LT|Sipon LT 40|Sipon LT-40|Standapol T|Standapol TLS 40|Steinapol TLS 40|Stepanol WAT|Sterling WAT|Sulfate de tris(2-hydroxyethyl)ammonium et de decyle|Sulfate de tris(2-hydroxyethyl)ammonium et de dodecyle|sulfato de tris(2-hidroxietil)amonio y decilo|Sulfetal KT 400|Sulfetal LT|Sulfuric acid monododecyl ester compd. with|1509-21-3|54119-48-1|65842-83-3|71123-79-0|84617-26-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027076
ARPathway2016 ARPathway2016_350 Dodecyl sulfate triethanolamine salt 139-96-8 DTXSID4027076 1.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless OCCN(CCO)CCO.CCCCCCCCCCCCOS(O)(=O)=O Dodecyl sulfate triethanolamine salt 139-96-8|Dodecyl sulfate triethanolamine salt|Akyposal TLS|Alscoap NM 40T|Alscoap TL 40T|Carsonol TLS|Cycloryl TAWF|Cycloryl WAT|DeSulf TLS 40|Dodecyl sulfate triethanolamine salt|Dodecyl sulfate, C12H25SO4H, compd. with 2,2',2''-nitrilotriethanol|DODECYL-TRIS-(2-HYDROXYAETHYL)-AMMONIUM-SULFAT|EINECS 205-388-7|Elfan 4240 T|Elfan 4240T|Emal TD|Emal TD-L|Emersal 6434|Empicol TL 40T|Genapol LRT 40|Lauryl sulfate ester triethanolamine salt|Lauryl sulfate triethanolamine salt|Laurylsulfuric acid triethanolamine salt|Maprofix TLS|Maprofix TLS 500|Maprofix TLS 65|Melanol LP 20T|Melanol LP20T|Nikkol TEALS|Nikkol TEALS 42|Nissan Persoft SFT|Norfox TLS|Perlankrol ATL 40|Persoft SFT|Propaste T|Rewopol TLS 40|Richonol T|Sapanol AT|Sinolin TP|Sipon LT|Sipon LT 40|Sipon LT-40|Standapol T|Standapol TLS 40|Steinapol TLS 40|Stepanol WAT|Sterling WAT|Sulfate de tris(2-hydroxyethyl)ammonium et de decyle|Sulfate de tris(2-hydroxyethyl)ammonium et de dodecyle|sulfato de tris(2-hidroxietil)amonio y decilo|Sulfetal KT 400|Sulfetal LT|Sulfuric acid monododecyl ester compd. with|1509-21-3|54119-48-1|65842-83-3|71123-79-0|84617-26-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027076
ARPathway2016 ARPathway2016_350 Dodecyl sulfate triethanolamine salt 139-96-8 DTXSID4027076 1.0 Agonist AR Pathway Model, Agonist Model Score 0.147 Unitless OCCN(CCO)CCO.CCCCCCCCCCCCOS(O)(=O)=O Dodecyl sulfate triethanolamine salt 139-96-8|Dodecyl sulfate triethanolamine salt|Akyposal TLS|Alscoap NM 40T|Alscoap TL 40T|Carsonol TLS|Cycloryl TAWF|Cycloryl WAT|DeSulf TLS 40|Dodecyl sulfate triethanolamine salt|Dodecyl sulfate, C12H25SO4H, compd. with 2,2',2''-nitrilotriethanol|DODECYL-TRIS-(2-HYDROXYAETHYL)-AMMONIUM-SULFAT|EINECS 205-388-7|Elfan 4240 T|Elfan 4240T|Emal TD|Emal TD-L|Emersal 6434|Empicol TL 40T|Genapol LRT 40|Lauryl sulfate ester triethanolamine salt|Lauryl sulfate triethanolamine salt|Laurylsulfuric acid triethanolamine salt|Maprofix TLS|Maprofix TLS 500|Maprofix TLS 65|Melanol LP 20T|Melanol LP20T|Nikkol TEALS|Nikkol TEALS 42|Nissan Persoft SFT|Norfox TLS|Perlankrol ATL 40|Persoft SFT|Propaste T|Rewopol TLS 40|Richonol T|Sapanol AT|Sinolin TP|Sipon LT|Sipon LT 40|Sipon LT-40|Standapol T|Standapol TLS 40|Steinapol TLS 40|Stepanol WAT|Sterling WAT|Sulfate de tris(2-hydroxyethyl)ammonium et de decyle|Sulfate de tris(2-hydroxyethyl)ammonium et de dodecyle|sulfato de tris(2-hidroxietil)amonio y decilo|Sulfetal KT 400|Sulfetal LT|Sulfuric acid monododecyl ester compd. with|1509-21-3|54119-48-1|65842-83-3|71123-79-0|84617-26-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027076
ARPathway2016 ARPathway2016_350 Dodecyl sulfate triethanolamine salt 139-96-8 DTXSID4027076 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless OCCN(CCO)CCO.CCCCCCCCCCCCOS(O)(=O)=O Dodecyl sulfate triethanolamine salt 139-96-8|Dodecyl sulfate triethanolamine salt|Akyposal TLS|Alscoap NM 40T|Alscoap TL 40T|Carsonol TLS|Cycloryl TAWF|Cycloryl WAT|DeSulf TLS 40|Dodecyl sulfate triethanolamine salt|Dodecyl sulfate, C12H25SO4H, compd. with 2,2',2''-nitrilotriethanol|DODECYL-TRIS-(2-HYDROXYAETHYL)-AMMONIUM-SULFAT|EINECS 205-388-7|Elfan 4240 T|Elfan 4240T|Emal TD|Emal TD-L|Emersal 6434|Empicol TL 40T|Genapol LRT 40|Lauryl sulfate ester triethanolamine salt|Lauryl sulfate triethanolamine salt|Laurylsulfuric acid triethanolamine salt|Maprofix TLS|Maprofix TLS 500|Maprofix TLS 65|Melanol LP 20T|Melanol LP20T|Nikkol TEALS|Nikkol TEALS 42|Nissan Persoft SFT|Norfox TLS|Perlankrol ATL 40|Persoft SFT|Propaste T|Rewopol TLS 40|Richonol T|Sapanol AT|Sinolin TP|Sipon LT|Sipon LT 40|Sipon LT-40|Standapol T|Standapol TLS 40|Steinapol TLS 40|Stepanol WAT|Sterling WAT|Sulfate de tris(2-hydroxyethyl)ammonium et de decyle|Sulfate de tris(2-hydroxyethyl)ammonium et de dodecyle|sulfato de tris(2-hidroxietil)amonio y decilo|Sulfetal KT 400|Sulfetal LT|Sulfuric acid monododecyl ester compd. with|1509-21-3|54119-48-1|65842-83-3|71123-79-0|84617-26-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027076
ARPathway2016 ARPathway2016_350 Dodecyl sulfate triethanolamine salt 139-96-8 DTXSID4027076 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless OCCN(CCO)CCO.CCCCCCCCCCCCOS(O)(=O)=O Dodecyl sulfate triethanolamine salt 139-96-8|Dodecyl sulfate triethanolamine salt|Akyposal TLS|Alscoap NM 40T|Alscoap TL 40T|Carsonol TLS|Cycloryl TAWF|Cycloryl WAT|DeSulf TLS 40|Dodecyl sulfate triethanolamine salt|Dodecyl sulfate, C12H25SO4H, compd. with 2,2',2''-nitrilotriethanol|DODECYL-TRIS-(2-HYDROXYAETHYL)-AMMONIUM-SULFAT|EINECS 205-388-7|Elfan 4240 T|Elfan 4240T|Emal TD|Emal TD-L|Emersal 6434|Empicol TL 40T|Genapol LRT 40|Lauryl sulfate ester triethanolamine salt|Lauryl sulfate triethanolamine salt|Laurylsulfuric acid triethanolamine salt|Maprofix TLS|Maprofix TLS 500|Maprofix TLS 65|Melanol LP 20T|Melanol LP20T|Nikkol TEALS|Nikkol TEALS 42|Nissan Persoft SFT|Norfox TLS|Perlankrol ATL 40|Persoft SFT|Propaste T|Rewopol TLS 40|Richonol T|Sapanol AT|Sinolin TP|Sipon LT|Sipon LT 40|Sipon LT-40|Standapol T|Standapol TLS 40|Steinapol TLS 40|Stepanol WAT|Sterling WAT|Sulfate de tris(2-hydroxyethyl)ammonium et de decyle|Sulfate de tris(2-hydroxyethyl)ammonium et de dodecyle|sulfato de tris(2-hidroxietil)amonio y decilo|Sulfetal KT 400|Sulfetal LT|Sulfuric acid monododecyl ester compd. with|1509-21-3|54119-48-1|65842-83-3|71123-79-0|84617-26-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027076
ERPathway2016 ERPathway2016_523 Dodecyl sulfate triethanolamine salt 139-96-8 DTXSID4027076 A10 ER Pathway Model, Agonist Model Score 0 Unitless OCCN(CCO)CCO.CCCCCCCCCCCCOS(O)(=O)=O Dodecyl sulfate triethanolamine salt 139-96-8|Dodecyl sulfate triethanolamine salt|Akyposal TLS|Alscoap NM 40T|Alscoap TL 40T|Carsonol TLS|Cycloryl TAWF|Cycloryl WAT|DeSulf TLS 40|Dodecyl sulfate triethanolamine salt|Dodecyl sulfate, C12H25SO4H, compd. with 2,2',2''-nitrilotriethanol|DODECYL-TRIS-(2-HYDROXYAETHYL)-AMMONIUM-SULFAT|EINECS 205-388-7|Elfan 4240 T|Elfan 4240T|Emal TD|Emal TD-L|Emersal 6434|Empicol TL 40T|Genapol LRT 40|Lauryl sulfate ester triethanolamine salt|Lauryl sulfate triethanolamine salt|Laurylsulfuric acid triethanolamine salt|Maprofix TLS|Maprofix TLS 500|Maprofix TLS 65|Melanol LP 20T|Melanol LP20T|Nikkol TEALS|Nikkol TEALS 42|Nissan Persoft SFT|Norfox TLS|Perlankrol ATL 40|Persoft SFT|Propaste T|Rewopol TLS 40|Richonol T|Sapanol AT|Sinolin TP|Sipon LT|Sipon LT 40|Sipon LT-40|Standapol T|Standapol TLS 40|Steinapol TLS 40|Stepanol WAT|Sterling WAT|Sulfate de tris(2-hydroxyethyl)ammonium et de decyle|Sulfate de tris(2-hydroxyethyl)ammonium et de dodecyle|sulfato de tris(2-hidroxietil)amonio y decilo|Sulfetal KT 400|Sulfetal LT|Sulfuric acid monododecyl ester compd. with|1509-21-3|54119-48-1|65842-83-3|71123-79-0|84617-26-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027076
ERPathway2016 ERPathway2016_523 Dodecyl sulfate triethanolamine salt 139-96-8 DTXSID4027076 A10 ER Pathway Model, Antagonist Model Score 0 Unitless OCCN(CCO)CCO.CCCCCCCCCCCCOS(O)(=O)=O Dodecyl sulfate triethanolamine salt 139-96-8|Dodecyl sulfate triethanolamine salt|Akyposal TLS|Alscoap NM 40T|Alscoap TL 40T|Carsonol TLS|Cycloryl TAWF|Cycloryl WAT|DeSulf TLS 40|Dodecyl sulfate triethanolamine salt|Dodecyl sulfate, C12H25SO4H, compd. with 2,2',2''-nitrilotriethanol|DODECYL-TRIS-(2-HYDROXYAETHYL)-AMMONIUM-SULFAT|EINECS 205-388-7|Elfan 4240 T|Elfan 4240T|Emal TD|Emal TD-L|Emersal 6434|Empicol TL 40T|Genapol LRT 40|Lauryl sulfate ester triethanolamine salt|Lauryl sulfate triethanolamine salt|Laurylsulfuric acid triethanolamine salt|Maprofix TLS|Maprofix TLS 500|Maprofix TLS 65|Melanol LP 20T|Melanol LP20T|Nikkol TEALS|Nikkol TEALS 42|Nissan Persoft SFT|Norfox TLS|Perlankrol ATL 40|Persoft SFT|Propaste T|Rewopol TLS 40|Richonol T|Sapanol AT|Sinolin TP|Sipon LT|Sipon LT 40|Sipon LT-40|Standapol T|Standapol TLS 40|Steinapol TLS 40|Stepanol WAT|Sterling WAT|Sulfate de tris(2-hydroxyethyl)ammonium et de decyle|Sulfate de tris(2-hydroxyethyl)ammonium et de dodecyle|sulfato de tris(2-hidroxietil)amonio y decilo|Sulfetal KT 400|Sulfetal LT|Sulfuric acid monododecyl ester compd. with|1509-21-3|54119-48-1|65842-83-3|71123-79-0|84617-26-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027076
ERPathway2016 ERPathway2016_523 Dodecyl sulfate triethanolamine salt 139-96-8 DTXSID4027076 A10 ER Pathway Model, Agonist Call Inactive Unitless OCCN(CCO)CCO.CCCCCCCCCCCCOS(O)(=O)=O Dodecyl sulfate triethanolamine salt 139-96-8|Dodecyl sulfate triethanolamine salt|Akyposal TLS|Alscoap NM 40T|Alscoap TL 40T|Carsonol TLS|Cycloryl TAWF|Cycloryl WAT|DeSulf TLS 40|Dodecyl sulfate triethanolamine salt|Dodecyl sulfate, C12H25SO4H, compd. with 2,2',2''-nitrilotriethanol|DODECYL-TRIS-(2-HYDROXYAETHYL)-AMMONIUM-SULFAT|EINECS 205-388-7|Elfan 4240 T|Elfan 4240T|Emal TD|Emal TD-L|Emersal 6434|Empicol TL 40T|Genapol LRT 40|Lauryl sulfate ester triethanolamine salt|Lauryl sulfate triethanolamine salt|Laurylsulfuric acid triethanolamine salt|Maprofix TLS|Maprofix TLS 500|Maprofix TLS 65|Melanol LP 20T|Melanol LP20T|Nikkol TEALS|Nikkol TEALS 42|Nissan Persoft SFT|Norfox TLS|Perlankrol ATL 40|Persoft SFT|Propaste T|Rewopol TLS 40|Richonol T|Sapanol AT|Sinolin TP|Sipon LT|Sipon LT 40|Sipon LT-40|Standapol T|Standapol TLS 40|Steinapol TLS 40|Stepanol WAT|Sterling WAT|Sulfate de tris(2-hydroxyethyl)ammonium et de decyle|Sulfate de tris(2-hydroxyethyl)ammonium et de dodecyle|sulfato de tris(2-hidroxietil)amonio y decilo|Sulfetal KT 400|Sulfetal LT|Sulfuric acid monododecyl ester compd. with|1509-21-3|54119-48-1|65842-83-3|71123-79-0|84617-26-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027076
ERPathway2016 ERPathway2016_523 Dodecyl sulfate triethanolamine salt 139-96-8 DTXSID4027076 A10 ER Pathway Model, Antagonist Call Inactive Unitless OCCN(CCO)CCO.CCCCCCCCCCCCOS(O)(=O)=O Dodecyl sulfate triethanolamine salt 139-96-8|Dodecyl sulfate triethanolamine salt|Akyposal TLS|Alscoap NM 40T|Alscoap TL 40T|Carsonol TLS|Cycloryl TAWF|Cycloryl WAT|DeSulf TLS 40|Dodecyl sulfate triethanolamine salt|Dodecyl sulfate, C12H25SO4H, compd. with 2,2',2''-nitrilotriethanol|DODECYL-TRIS-(2-HYDROXYAETHYL)-AMMONIUM-SULFAT|EINECS 205-388-7|Elfan 4240 T|Elfan 4240T|Emal TD|Emal TD-L|Emersal 6434|Empicol TL 40T|Genapol LRT 40|Lauryl sulfate ester triethanolamine salt|Lauryl sulfate triethanolamine salt|Laurylsulfuric acid triethanolamine salt|Maprofix TLS|Maprofix TLS 500|Maprofix TLS 65|Melanol LP 20T|Melanol LP20T|Nikkol TEALS|Nikkol TEALS 42|Nissan Persoft SFT|Norfox TLS|Perlankrol ATL 40|Persoft SFT|Propaste T|Rewopol TLS 40|Richonol T|Sapanol AT|Sinolin TP|Sipon LT|Sipon LT 40|Sipon LT-40|Standapol T|Standapol TLS 40|Steinapol TLS 40|Stepanol WAT|Sterling WAT|Sulfate de tris(2-hydroxyethyl)ammonium et de decyle|Sulfate de tris(2-hydroxyethyl)ammonium et de dodecyle|sulfato de tris(2-hidroxietil)amonio y decilo|Sulfetal KT 400|Sulfetal LT|Sulfuric acid monododecyl ester compd. with|1509-21-3|54119-48-1|65842-83-3|71123-79-0|84617-26-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027076
ARPathway2016 ARPathway2016_1091 Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7 DTXSID5027932 0.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless OCCN(CCO)CCO.CCCCCCCCCCCC*.OS(=O)(=O)C1=CC=CC=C1 |c:27,29,t:25,lp:0:2,3:1,6:2,9:2,23:2,25:2,26:2,m:22:28.29.30| Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7|Dodecylbenzene sulfonate triethanolamine(1:1)|acide dodecylbenzenesulfonique, compose avec 2,2',2''-nitrilotriethanol (1:1)|Acide dodecylbenzenesulfonique, compose avec le 2,2',2''-nitrilotriethanol (1:1)|acido dodecilbencenosulfonico, composto con 2,2',2''-nitrilotrietanol (1:1)|AI3-26730-X|Armostat 800|Basopal NA|BENZENE SULFONIC ACID, DODECYL-, COMPOUND WITH 2,2'2"-NITRILOTRIS(ETHANOL)(1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotriethanol (1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol]|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)|Benzenesulfonic acid, dodecyl-, compound with 2,2',2''-nitrilotris[ethanol] (1:1)|Bio-Soft N 300|Calsoft T 60|Caswell No. 887AA|DeSulf DBS 60T|Dodecylbenzenesulfonic acid compd. with 2,2',2''-nitrilotris[ethanol] ( 1:1)|Dodecylbenzenesulfonic acid triethanolamine salt|Dodecylbenzenesulfonic acid, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)|dodecylbenzenesulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)|Dodecylbenzolsulfon|1331-60-8|26447-06-3|57308-35-7|59740-36-2|73247-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027932
ARPathway2016 ARPathway2016_1091 Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7 DTXSID5027932 0.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless OCCN(CCO)CCO.CCCCCCCCCCCC*.OS(=O)(=O)C1=CC=CC=C1 |c:27,29,t:25,lp:0:2,3:1,6:2,9:2,23:2,25:2,26:2,m:22:28.29.30| Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7|Dodecylbenzene sulfonate triethanolamine(1:1)|acide dodecylbenzenesulfonique, compose avec 2,2',2''-nitrilotriethanol (1:1)|Acide dodecylbenzenesulfonique, compose avec le 2,2',2''-nitrilotriethanol (1:1)|acido dodecilbencenosulfonico, composto con 2,2',2''-nitrilotrietanol (1:1)|AI3-26730-X|Armostat 800|Basopal NA|BENZENE SULFONIC ACID, DODECYL-, COMPOUND WITH 2,2'2"-NITRILOTRIS(ETHANOL)(1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotriethanol (1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol]|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)|Benzenesulfonic acid, dodecyl-, compound with 2,2',2''-nitrilotris[ethanol] (1:1)|Bio-Soft N 300|Calsoft T 60|Caswell No. 887AA|DeSulf DBS 60T|Dodecylbenzenesulfonic acid compd. with 2,2',2''-nitrilotris[ethanol] ( 1:1)|Dodecylbenzenesulfonic acid triethanolamine salt|Dodecylbenzenesulfonic acid, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)|dodecylbenzenesulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)|Dodecylbenzolsulfon|1331-60-8|26447-06-3|57308-35-7|59740-36-2|73247-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027932
ARPathway2016 ARPathway2016_1091 Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7 DTXSID5027932 0.0 A3 AR Pathway Model, Agonist Call Inactive Unitless OCCN(CCO)CCO.CCCCCCCCCCCC*.OS(=O)(=O)C1=CC=CC=C1 |c:27,29,t:25,lp:0:2,3:1,6:2,9:2,23:2,25:2,26:2,m:22:28.29.30| Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7|Dodecylbenzene sulfonate triethanolamine(1:1)|acide dodecylbenzenesulfonique, compose avec 2,2',2''-nitrilotriethanol (1:1)|Acide dodecylbenzenesulfonique, compose avec le 2,2',2''-nitrilotriethanol (1:1)|acido dodecilbencenosulfonico, composto con 2,2',2''-nitrilotrietanol (1:1)|AI3-26730-X|Armostat 800|Basopal NA|BENZENE SULFONIC ACID, DODECYL-, COMPOUND WITH 2,2'2"-NITRILOTRIS(ETHANOL)(1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotriethanol (1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol]|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)|Benzenesulfonic acid, dodecyl-, compound with 2,2',2''-nitrilotris[ethanol] (1:1)|Bio-Soft N 300|Calsoft T 60|Caswell No. 887AA|DeSulf DBS 60T|Dodecylbenzenesulfonic acid compd. with 2,2',2''-nitrilotris[ethanol] ( 1:1)|Dodecylbenzenesulfonic acid triethanolamine salt|Dodecylbenzenesulfonic acid, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)|dodecylbenzenesulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)|Dodecylbenzolsulfon|1331-60-8|26447-06-3|57308-35-7|59740-36-2|73247-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027932
ARPathway2016 ARPathway2016_1091 Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7 DTXSID5027932 0.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless OCCN(CCO)CCO.CCCCCCCCCCCC*.OS(=O)(=O)C1=CC=CC=C1 |c:27,29,t:25,lp:0:2,3:1,6:2,9:2,23:2,25:2,26:2,m:22:28.29.30| Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7|Dodecylbenzene sulfonate triethanolamine(1:1)|acide dodecylbenzenesulfonique, compose avec 2,2',2''-nitrilotriethanol (1:1)|Acide dodecylbenzenesulfonique, compose avec le 2,2',2''-nitrilotriethanol (1:1)|acido dodecilbencenosulfonico, composto con 2,2',2''-nitrilotrietanol (1:1)|AI3-26730-X|Armostat 800|Basopal NA|BENZENE SULFONIC ACID, DODECYL-, COMPOUND WITH 2,2'2"-NITRILOTRIS(ETHANOL)(1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotriethanol (1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol]|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)|Benzenesulfonic acid, dodecyl-, compound with 2,2',2''-nitrilotris[ethanol] (1:1)|Bio-Soft N 300|Calsoft T 60|Caswell No. 887AA|DeSulf DBS 60T|Dodecylbenzenesulfonic acid compd. with 2,2',2''-nitrilotris[ethanol] ( 1:1)|Dodecylbenzenesulfonic acid triethanolamine salt|Dodecylbenzenesulfonic acid, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)|dodecylbenzenesulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)|Dodecylbenzolsulfon|1331-60-8|26447-06-3|57308-35-7|59740-36-2|73247-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027932
ERPathway2016 ERPathway2016_417 Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7 DTXSID5027932 A15 ER Pathway Model, Antagonist AC50 29.046920375767 uM OCCN(CCO)CCO.CCCCCCCCCCCC*.OS(=O)(=O)C1=CC=CC=C1 |c:27,29,t:25,lp:0:2,3:1,6:2,9:2,23:2,25:2,26:2,m:22:28.29.30| Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7|Dodecylbenzene sulfonate triethanolamine(1:1)|acide dodecylbenzenesulfonique, compose avec 2,2',2''-nitrilotriethanol (1:1)|Acide dodecylbenzenesulfonique, compose avec le 2,2',2''-nitrilotriethanol (1:1)|acido dodecilbencenosulfonico, composto con 2,2',2''-nitrilotrietanol (1:1)|AI3-26730-X|Armostat 800|Basopal NA|BENZENE SULFONIC ACID, DODECYL-, COMPOUND WITH 2,2'2"-NITRILOTRIS(ETHANOL)(1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotriethanol (1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol]|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)|Benzenesulfonic acid, dodecyl-, compound with 2,2',2''-nitrilotris[ethanol] (1:1)|Bio-Soft N 300|Calsoft T 60|Caswell No. 887AA|DeSulf DBS 60T|Dodecylbenzenesulfonic acid compd. with 2,2',2''-nitrilotris[ethanol] ( 1:1)|Dodecylbenzenesulfonic acid triethanolamine salt|Dodecylbenzenesulfonic acid, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)|dodecylbenzenesulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)|Dodecylbenzolsulfon|1331-60-8|26447-06-3|57308-35-7|59740-36-2|73247-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027932
ERPathway2016 ERPathway2016_417 Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7 DTXSID5027932 A15 ER Pathway Model, Antagonist ACC 24.8388791016409 uM OCCN(CCO)CCO.CCCCCCCCCCCC*.OS(=O)(=O)C1=CC=CC=C1 |c:27,29,t:25,lp:0:2,3:1,6:2,9:2,23:2,25:2,26:2,m:22:28.29.30| Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7|Dodecylbenzene sulfonate triethanolamine(1:1)|acide dodecylbenzenesulfonique, compose avec 2,2',2''-nitrilotriethanol (1:1)|Acide dodecylbenzenesulfonique, compose avec le 2,2',2''-nitrilotriethanol (1:1)|acido dodecilbencenosulfonico, composto con 2,2',2''-nitrilotrietanol (1:1)|AI3-26730-X|Armostat 800|Basopal NA|BENZENE SULFONIC ACID, DODECYL-, COMPOUND WITH 2,2'2"-NITRILOTRIS(ETHANOL)(1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotriethanol (1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol]|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)|Benzenesulfonic acid, dodecyl-, compound with 2,2',2''-nitrilotris[ethanol] (1:1)|Bio-Soft N 300|Calsoft T 60|Caswell No. 887AA|DeSulf DBS 60T|Dodecylbenzenesulfonic acid compd. with 2,2',2''-nitrilotris[ethanol] ( 1:1)|Dodecylbenzenesulfonic acid triethanolamine salt|Dodecylbenzenesulfonic acid, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)|dodecylbenzenesulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)|Dodecylbenzolsulfon|1331-60-8|26447-06-3|57308-35-7|59740-36-2|73247-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027932
ERPathway2016 ERPathway2016_417 Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7 DTXSID5027932 A15 ER Pathway Model, Agonist Model Score 0.0075 Unitless OCCN(CCO)CCO.CCCCCCCCCCCC*.OS(=O)(=O)C1=CC=CC=C1 |c:27,29,t:25,lp:0:2,3:1,6:2,9:2,23:2,25:2,26:2,m:22:28.29.30| Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7|Dodecylbenzene sulfonate triethanolamine(1:1)|acide dodecylbenzenesulfonique, compose avec 2,2',2''-nitrilotriethanol (1:1)|Acide dodecylbenzenesulfonique, compose avec le 2,2',2''-nitrilotriethanol (1:1)|acido dodecilbencenosulfonico, composto con 2,2',2''-nitrilotrietanol (1:1)|AI3-26730-X|Armostat 800|Basopal NA|BENZENE SULFONIC ACID, DODECYL-, COMPOUND WITH 2,2'2"-NITRILOTRIS(ETHANOL)(1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotriethanol (1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol]|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)|Benzenesulfonic acid, dodecyl-, compound with 2,2',2''-nitrilotris[ethanol] (1:1)|Bio-Soft N 300|Calsoft T 60|Caswell No. 887AA|DeSulf DBS 60T|Dodecylbenzenesulfonic acid compd. with 2,2',2''-nitrilotris[ethanol] ( 1:1)|Dodecylbenzenesulfonic acid triethanolamine salt|Dodecylbenzenesulfonic acid, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)|dodecylbenzenesulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)|Dodecylbenzolsulfon|1331-60-8|26447-06-3|57308-35-7|59740-36-2|73247-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027932
ERPathway2016 ERPathway2016_417 Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7 DTXSID5027932 A15 ER Pathway Model, Antagonist Model Score 0 Unitless OCCN(CCO)CCO.CCCCCCCCCCCC*.OS(=O)(=O)C1=CC=CC=C1 |c:27,29,t:25,lp:0:2,3:1,6:2,9:2,23:2,25:2,26:2,m:22:28.29.30| Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7|Dodecylbenzene sulfonate triethanolamine(1:1)|acide dodecylbenzenesulfonique, compose avec 2,2',2''-nitrilotriethanol (1:1)|Acide dodecylbenzenesulfonique, compose avec le 2,2',2''-nitrilotriethanol (1:1)|acido dodecilbencenosulfonico, composto con 2,2',2''-nitrilotrietanol (1:1)|AI3-26730-X|Armostat 800|Basopal NA|BENZENE SULFONIC ACID, DODECYL-, COMPOUND WITH 2,2'2"-NITRILOTRIS(ETHANOL)(1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotriethanol (1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol]|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)|Benzenesulfonic acid, dodecyl-, compound with 2,2',2''-nitrilotris[ethanol] (1:1)|Bio-Soft N 300|Calsoft T 60|Caswell No. 887AA|DeSulf DBS 60T|Dodecylbenzenesulfonic acid compd. with 2,2',2''-nitrilotris[ethanol] ( 1:1)|Dodecylbenzenesulfonic acid triethanolamine salt|Dodecylbenzenesulfonic acid, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)|dodecylbenzenesulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)|Dodecylbenzolsulfon|1331-60-8|26447-06-3|57308-35-7|59740-36-2|73247-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027932
ERPathway2016 ERPathway2016_417 Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7 DTXSID5027932 A15 ER Pathway Model, Agonist Call Inactive Unitless OCCN(CCO)CCO.CCCCCCCCCCCC*.OS(=O)(=O)C1=CC=CC=C1 |c:27,29,t:25,lp:0:2,3:1,6:2,9:2,23:2,25:2,26:2,m:22:28.29.30| Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7|Dodecylbenzene sulfonate triethanolamine(1:1)|acide dodecylbenzenesulfonique, compose avec 2,2',2''-nitrilotriethanol (1:1)|Acide dodecylbenzenesulfonique, compose avec le 2,2',2''-nitrilotriethanol (1:1)|acido dodecilbencenosulfonico, composto con 2,2',2''-nitrilotrietanol (1:1)|AI3-26730-X|Armostat 800|Basopal NA|BENZENE SULFONIC ACID, DODECYL-, COMPOUND WITH 2,2'2"-NITRILOTRIS(ETHANOL)(1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotriethanol (1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol]|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)|Benzenesulfonic acid, dodecyl-, compound with 2,2',2''-nitrilotris[ethanol] (1:1)|Bio-Soft N 300|Calsoft T 60|Caswell No. 887AA|DeSulf DBS 60T|Dodecylbenzenesulfonic acid compd. with 2,2',2''-nitrilotris[ethanol] ( 1:1)|Dodecylbenzenesulfonic acid triethanolamine salt|Dodecylbenzenesulfonic acid, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)|dodecylbenzenesulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)|Dodecylbenzolsulfon|1331-60-8|26447-06-3|57308-35-7|59740-36-2|73247-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027932
ERPathway2016 ERPathway2016_417 Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7 DTXSID5027932 A15 ER Pathway Model, Antagonist Call Active Unitless OCCN(CCO)CCO.CCCCCCCCCCCC*.OS(=O)(=O)C1=CC=CC=C1 |c:27,29,t:25,lp:0:2,3:1,6:2,9:2,23:2,25:2,26:2,m:22:28.29.30| Dodecylbenzene sulfonate triethanolamine(1:1) 27323-41-7|Dodecylbenzene sulfonate triethanolamine(1:1)|acide dodecylbenzenesulfonique, compose avec 2,2',2''-nitrilotriethanol (1:1)|Acide dodecylbenzenesulfonique, compose avec le 2,2',2''-nitrilotriethanol (1:1)|acido dodecilbencenosulfonico, composto con 2,2',2''-nitrilotrietanol (1:1)|AI3-26730-X|Armostat 800|Basopal NA|BENZENE SULFONIC ACID, DODECYL-, COMPOUND WITH 2,2'2"-NITRILOTRIS(ETHANOL)(1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotriethanol (1:1)|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol]|Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)|Benzenesulfonic acid, dodecyl-, compound with 2,2',2''-nitrilotris[ethanol] (1:1)|Bio-Soft N 300|Calsoft T 60|Caswell No. 887AA|DeSulf DBS 60T|Dodecylbenzenesulfonic acid compd. with 2,2',2''-nitrilotris[ethanol] ( 1:1)|Dodecylbenzenesulfonic acid triethanolamine salt|Dodecylbenzenesulfonic acid, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)|dodecylbenzenesulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)|Dodecylbenzolsulfon|1331-60-8|26447-06-3|57308-35-7|59740-36-2|73247-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027932
ARPathway2016 ARPathway2016_136 Dodecylbenzenesulfonic acid 27176-87-0 DTXSID6027923 1.0 A3 AR Pathway Model, Agonist AC50 14.6319563407445 uM Dodecylbenzenesulfonic acid 27176-87-0|Dodecylbenzenesulfonic acid|Acide dodecylbenzenesulfonique|acido dodecilbencenosulfonico|Ambicat LE 4476|Benzenesulfonic acid, dodecyl|Benzenesulfonic acid, dodecyl-|Benzenesulphonic acid, dodecyl-|Bio-Soft S 100|Bio-Soft S 101|Biosoft S 126|Calsoft LAS 99|Caswell No. 413C|Catalyst 600|Catalyst 6000|Dobanic acid|Dobanic acid 83|Dobanic acid JN|DODECYLBENZENE SULFONIC ACID|Dodecylbenzenesulfonate|dodecylbenzenesulphonic acid|Dodecylbenzolsulfonsaure|EINECS 217-555-1|EINECS 248-289-4|Elfan WA Sulphonic Acid|EPA Pesticide Chemical Code 098002|Laurylbenzenesulfonic acid|LINEAR SODIUM DODECYLBENZENE SULFONIC ACID|Lipon LH 500|Maranil DBS|Marlon AS 3|n-Dodecylbenzenesulfonic acid|Nacconol 98SA|Nacure 5074|Nacure 5076|Nansa 1042P|Nansa SSA|Neopelex FS|Neopelex GS|P 3 Vetralat|Polystep A 13|Rhodacal SSA/A|Richonic Acid B|Soft Osen 5S|Sulfosoft|Sulframin 1298|Sulframin Acid 1298|Taycacure AC 430|Taycapower L 120D|Taycapower L 122|Ufacid K|UNII-60NSK897G9|Witco 1298 Acid Soft|Witco 1298 Soft Acid|Witco 1298 sulfonic acid|106602-89-5|111839-63-5|112509-31-6|1232441-14-3|124743-21-1|1323-12-2|147625-74-9|175069-51-9|210106-05-1|219316-00-4|2205889-82-1|220880-99-9|27157-97-7|313478-89-6|37321-08-7|39355-45-8|54824-36-1|61400-71-3|811862-51-8|889890-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027923
ARPathway2016 ARPathway2016_136 Dodecylbenzenesulfonic acid 27176-87-0 DTXSID6027923 1.0 A3 AR Pathway Model, Agonist ACC 9.08423564822678 uM Dodecylbenzenesulfonic acid 27176-87-0|Dodecylbenzenesulfonic acid|Acide dodecylbenzenesulfonique|acido dodecilbencenosulfonico|Ambicat LE 4476|Benzenesulfonic acid, dodecyl|Benzenesulfonic acid, dodecyl-|Benzenesulphonic acid, dodecyl-|Bio-Soft S 100|Bio-Soft S 101|Biosoft S 126|Calsoft LAS 99|Caswell No. 413C|Catalyst 600|Catalyst 6000|Dobanic acid|Dobanic acid 83|Dobanic acid JN|DODECYLBENZENE SULFONIC ACID|Dodecylbenzenesulfonate|dodecylbenzenesulphonic acid|Dodecylbenzolsulfonsaure|EINECS 217-555-1|EINECS 248-289-4|Elfan WA Sulphonic Acid|EPA Pesticide Chemical Code 098002|Laurylbenzenesulfonic acid|LINEAR SODIUM DODECYLBENZENE SULFONIC ACID|Lipon LH 500|Maranil DBS|Marlon AS 3|n-Dodecylbenzenesulfonic acid|Nacconol 98SA|Nacure 5074|Nacure 5076|Nansa 1042P|Nansa SSA|Neopelex FS|Neopelex GS|P 3 Vetralat|Polystep A 13|Rhodacal SSA/A|Richonic Acid B|Soft Osen 5S|Sulfosoft|Sulframin 1298|Sulframin Acid 1298|Taycacure AC 430|Taycapower L 120D|Taycapower L 122|Ufacid K|UNII-60NSK897G9|Witco 1298 Acid Soft|Witco 1298 Soft Acid|Witco 1298 sulfonic acid|106602-89-5|111839-63-5|112509-31-6|1232441-14-3|124743-21-1|1323-12-2|147625-74-9|175069-51-9|210106-05-1|219316-00-4|2205889-82-1|220880-99-9|27157-97-7|313478-89-6|37321-08-7|39355-45-8|54824-36-1|61400-71-3|811862-51-8|889890-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027923
ARPathway2016 ARPathway2016_136 Dodecylbenzenesulfonic acid 27176-87-0 DTXSID6027923 1.0 A3 AR Pathway Model, Antagonist Model Score 0.0115 Unitless Dodecylbenzenesulfonic acid 27176-87-0|Dodecylbenzenesulfonic acid|Acide dodecylbenzenesulfonique|acido dodecilbencenosulfonico|Ambicat LE 4476|Benzenesulfonic acid, dodecyl|Benzenesulfonic acid, dodecyl-|Benzenesulphonic acid, dodecyl-|Bio-Soft S 100|Bio-Soft S 101|Biosoft S 126|Calsoft LAS 99|Caswell No. 413C|Catalyst 600|Catalyst 6000|Dobanic acid|Dobanic acid 83|Dobanic acid JN|DODECYLBENZENE SULFONIC ACID|Dodecylbenzenesulfonate|dodecylbenzenesulphonic acid|Dodecylbenzolsulfonsaure|EINECS 217-555-1|EINECS 248-289-4|Elfan WA Sulphonic Acid|EPA Pesticide Chemical Code 098002|Laurylbenzenesulfonic acid|LINEAR SODIUM DODECYLBENZENE SULFONIC ACID|Lipon LH 500|Maranil DBS|Marlon AS 3|n-Dodecylbenzenesulfonic acid|Nacconol 98SA|Nacure 5074|Nacure 5076|Nansa 1042P|Nansa SSA|Neopelex FS|Neopelex GS|P 3 Vetralat|Polystep A 13|Rhodacal SSA/A|Richonic Acid B|Soft Osen 5S|Sulfosoft|Sulframin 1298|Sulframin Acid 1298|Taycacure AC 430|Taycapower L 120D|Taycapower L 122|Ufacid K|UNII-60NSK897G9|Witco 1298 Acid Soft|Witco 1298 Soft Acid|Witco 1298 sulfonic acid|106602-89-5|111839-63-5|112509-31-6|1232441-14-3|124743-21-1|1323-12-2|147625-74-9|175069-51-9|210106-05-1|219316-00-4|2205889-82-1|220880-99-9|27157-97-7|313478-89-6|37321-08-7|39355-45-8|54824-36-1|61400-71-3|811862-51-8|889890-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027923
ARPathway2016 ARPathway2016_136 Dodecylbenzenesulfonic acid 27176-87-0 DTXSID6027923 1.0 A3 AR Pathway Model, Agonist Model Score 0.00596 Unitless Dodecylbenzenesulfonic acid 27176-87-0|Dodecylbenzenesulfonic acid|Acide dodecylbenzenesulfonique|acido dodecilbencenosulfonico|Ambicat LE 4476|Benzenesulfonic acid, dodecyl|Benzenesulfonic acid, dodecyl-|Benzenesulphonic acid, dodecyl-|Bio-Soft S 100|Bio-Soft S 101|Biosoft S 126|Calsoft LAS 99|Caswell No. 413C|Catalyst 600|Catalyst 6000|Dobanic acid|Dobanic acid 83|Dobanic acid JN|DODECYLBENZENE SULFONIC ACID|Dodecylbenzenesulfonate|dodecylbenzenesulphonic acid|Dodecylbenzolsulfonsaure|EINECS 217-555-1|EINECS 248-289-4|Elfan WA Sulphonic Acid|EPA Pesticide Chemical Code 098002|Laurylbenzenesulfonic acid|LINEAR SODIUM DODECYLBENZENE SULFONIC ACID|Lipon LH 500|Maranil DBS|Marlon AS 3|n-Dodecylbenzenesulfonic acid|Nacconol 98SA|Nacure 5074|Nacure 5076|Nansa 1042P|Nansa SSA|Neopelex FS|Neopelex GS|P 3 Vetralat|Polystep A 13|Rhodacal SSA/A|Richonic Acid B|Soft Osen 5S|Sulfosoft|Sulframin 1298|Sulframin Acid 1298|Taycacure AC 430|Taycapower L 120D|Taycapower L 122|Ufacid K|UNII-60NSK897G9|Witco 1298 Acid Soft|Witco 1298 Soft Acid|Witco 1298 sulfonic acid|106602-89-5|111839-63-5|112509-31-6|1232441-14-3|124743-21-1|1323-12-2|147625-74-9|175069-51-9|210106-05-1|219316-00-4|2205889-82-1|220880-99-9|27157-97-7|313478-89-6|37321-08-7|39355-45-8|54824-36-1|61400-71-3|811862-51-8|889890-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027923
ARPathway2016 ARPathway2016_136 Dodecylbenzenesulfonic acid 27176-87-0 DTXSID6027923 1.0 A3 AR Pathway Model, Agonist Call Active Unitless Dodecylbenzenesulfonic acid 27176-87-0|Dodecylbenzenesulfonic acid|Acide dodecylbenzenesulfonique|acido dodecilbencenosulfonico|Ambicat LE 4476|Benzenesulfonic acid, dodecyl|Benzenesulfonic acid, dodecyl-|Benzenesulphonic acid, dodecyl-|Bio-Soft S 100|Bio-Soft S 101|Biosoft S 126|Calsoft LAS 99|Caswell No. 413C|Catalyst 600|Catalyst 6000|Dobanic acid|Dobanic acid 83|Dobanic acid JN|DODECYLBENZENE SULFONIC ACID|Dodecylbenzenesulfonate|dodecylbenzenesulphonic acid|Dodecylbenzolsulfonsaure|EINECS 217-555-1|EINECS 248-289-4|Elfan WA Sulphonic Acid|EPA Pesticide Chemical Code 098002|Laurylbenzenesulfonic acid|LINEAR SODIUM DODECYLBENZENE SULFONIC ACID|Lipon LH 500|Maranil DBS|Marlon AS 3|n-Dodecylbenzenesulfonic acid|Nacconol 98SA|Nacure 5074|Nacure 5076|Nansa 1042P|Nansa SSA|Neopelex FS|Neopelex GS|P 3 Vetralat|Polystep A 13|Rhodacal SSA/A|Richonic Acid B|Soft Osen 5S|Sulfosoft|Sulframin 1298|Sulframin Acid 1298|Taycacure AC 430|Taycapower L 120D|Taycapower L 122|Ufacid K|UNII-60NSK897G9|Witco 1298 Acid Soft|Witco 1298 Soft Acid|Witco 1298 sulfonic acid|106602-89-5|111839-63-5|112509-31-6|1232441-14-3|124743-21-1|1323-12-2|147625-74-9|175069-51-9|210106-05-1|219316-00-4|2205889-82-1|220880-99-9|27157-97-7|313478-89-6|37321-08-7|39355-45-8|54824-36-1|61400-71-3|811862-51-8|889890-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027923
ARPathway2016 ARPathway2016_136 Dodecylbenzenesulfonic acid 27176-87-0 DTXSID6027923 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless Dodecylbenzenesulfonic acid 27176-87-0|Dodecylbenzenesulfonic acid|Acide dodecylbenzenesulfonique|acido dodecilbencenosulfonico|Ambicat LE 4476|Benzenesulfonic acid, dodecyl|Benzenesulfonic acid, dodecyl-|Benzenesulphonic acid, dodecyl-|Bio-Soft S 100|Bio-Soft S 101|Biosoft S 126|Calsoft LAS 99|Caswell No. 413C|Catalyst 600|Catalyst 6000|Dobanic acid|Dobanic acid 83|Dobanic acid JN|DODECYLBENZENE SULFONIC ACID|Dodecylbenzenesulfonate|dodecylbenzenesulphonic acid|Dodecylbenzolsulfonsaure|EINECS 217-555-1|EINECS 248-289-4|Elfan WA Sulphonic Acid|EPA Pesticide Chemical Code 098002|Laurylbenzenesulfonic acid|LINEAR SODIUM DODECYLBENZENE SULFONIC ACID|Lipon LH 500|Maranil DBS|Marlon AS 3|n-Dodecylbenzenesulfonic acid|Nacconol 98SA|Nacure 5074|Nacure 5076|Nansa 1042P|Nansa SSA|Neopelex FS|Neopelex GS|P 3 Vetralat|Polystep A 13|Rhodacal SSA/A|Richonic Acid B|Soft Osen 5S|Sulfosoft|Sulframin 1298|Sulframin Acid 1298|Taycacure AC 430|Taycapower L 120D|Taycapower L 122|Ufacid K|UNII-60NSK897G9|Witco 1298 Acid Soft|Witco 1298 Soft Acid|Witco 1298 sulfonic acid|106602-89-5|111839-63-5|112509-31-6|1232441-14-3|124743-21-1|1323-12-2|147625-74-9|175069-51-9|210106-05-1|219316-00-4|2205889-82-1|220880-99-9|27157-97-7|313478-89-6|37321-08-7|39355-45-8|54824-36-1|61400-71-3|811862-51-8|889890-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027923
ERPathway2016 ERPathway2016_64 Dodecylbenzenesulfonic acid 27176-87-0 DTXSID6027923 ER Pathway Model, Agonist AC50 20.5831029572902 uM Dodecylbenzenesulfonic acid 27176-87-0|Dodecylbenzenesulfonic acid|Acide dodecylbenzenesulfonique|acido dodecilbencenosulfonico|Ambicat LE 4476|Benzenesulfonic acid, dodecyl|Benzenesulfonic acid, dodecyl-|Benzenesulphonic acid, dodecyl-|Bio-Soft S 100|Bio-Soft S 101|Biosoft S 126|Calsoft LAS 99|Caswell No. 413C|Catalyst 600|Catalyst 6000|Dobanic acid|Dobanic acid 83|Dobanic acid JN|DODECYLBENZENE SULFONIC ACID|Dodecylbenzenesulfonate|dodecylbenzenesulphonic acid|Dodecylbenzolsulfonsaure|EINECS 217-555-1|EINECS 248-289-4|Elfan WA Sulphonic Acid|EPA Pesticide Chemical Code 098002|Laurylbenzenesulfonic acid|LINEAR SODIUM DODECYLBENZENE SULFONIC ACID|Lipon LH 500|Maranil DBS|Marlon AS 3|n-Dodecylbenzenesulfonic acid|Nacconol 98SA|Nacure 5074|Nacure 5076|Nansa 1042P|Nansa SSA|Neopelex FS|Neopelex GS|P 3 Vetralat|Polystep A 13|Rhodacal SSA/A|Richonic Acid B|Soft Osen 5S|Sulfosoft|Sulframin 1298|Sulframin Acid 1298|Taycacure AC 430|Taycapower L 120D|Taycapower L 122|Ufacid K|UNII-60NSK897G9|Witco 1298 Acid Soft|Witco 1298 Soft Acid|Witco 1298 sulfonic acid|106602-89-5|111839-63-5|112509-31-6|1232441-14-3|124743-21-1|1323-12-2|147625-74-9|175069-51-9|210106-05-1|219316-00-4|2205889-82-1|220880-99-9|27157-97-7|313478-89-6|37321-08-7|39355-45-8|54824-36-1|61400-71-3|811862-51-8|889890-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027923
ERPathway2016 ERPathway2016_64 Dodecylbenzenesulfonic acid 27176-87-0 DTXSID6027923 ER Pathway Model, Agonist ACC 23.7466716526845 uM Dodecylbenzenesulfonic acid 27176-87-0|Dodecylbenzenesulfonic acid|Acide dodecylbenzenesulfonique|acido dodecilbencenosulfonico|Ambicat LE 4476|Benzenesulfonic acid, dodecyl|Benzenesulfonic acid, dodecyl-|Benzenesulphonic acid, dodecyl-|Bio-Soft S 100|Bio-Soft S 101|Biosoft S 126|Calsoft LAS 99|Caswell No. 413C|Catalyst 600|Catalyst 6000|Dobanic acid|Dobanic acid 83|Dobanic acid JN|DODECYLBENZENE SULFONIC ACID|Dodecylbenzenesulfonate|dodecylbenzenesulphonic acid|Dodecylbenzolsulfonsaure|EINECS 217-555-1|EINECS 248-289-4|Elfan WA Sulphonic Acid|EPA Pesticide Chemical Code 098002|Laurylbenzenesulfonic acid|LINEAR SODIUM DODECYLBENZENE SULFONIC ACID|Lipon LH 500|Maranil DBS|Marlon AS 3|n-Dodecylbenzenesulfonic acid|Nacconol 98SA|Nacure 5074|Nacure 5076|Nansa 1042P|Nansa SSA|Neopelex FS|Neopelex GS|P 3 Vetralat|Polystep A 13|Rhodacal SSA/A|Richonic Acid B|Soft Osen 5S|Sulfosoft|Sulframin 1298|Sulframin Acid 1298|Taycacure AC 430|Taycapower L 120D|Taycapower L 122|Ufacid K|UNII-60NSK897G9|Witco 1298 Acid Soft|Witco 1298 Soft Acid|Witco 1298 sulfonic acid|106602-89-5|111839-63-5|112509-31-6|1232441-14-3|124743-21-1|1323-12-2|147625-74-9|175069-51-9|210106-05-1|219316-00-4|2205889-82-1|220880-99-9|27157-97-7|313478-89-6|37321-08-7|39355-45-8|54824-36-1|61400-71-3|811862-51-8|889890-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027923
ERPathway2016 ERPathway2016_64 Dodecylbenzenesulfonic acid 27176-87-0 DTXSID6027923 ER Pathway Model, Agonist Model Score 0 Unitless Dodecylbenzenesulfonic acid 27176-87-0|Dodecylbenzenesulfonic acid|Acide dodecylbenzenesulfonique|acido dodecilbencenosulfonico|Ambicat LE 4476|Benzenesulfonic acid, dodecyl|Benzenesulfonic acid, dodecyl-|Benzenesulphonic acid, dodecyl-|Bio-Soft S 100|Bio-Soft S 101|Biosoft S 126|Calsoft LAS 99|Caswell No. 413C|Catalyst 600|Catalyst 6000|Dobanic acid|Dobanic acid 83|Dobanic acid JN|DODECYLBENZENE SULFONIC ACID|Dodecylbenzenesulfonate|dodecylbenzenesulphonic acid|Dodecylbenzolsulfonsaure|EINECS 217-555-1|EINECS 248-289-4|Elfan WA Sulphonic Acid|EPA Pesticide Chemical Code 098002|Laurylbenzenesulfonic acid|LINEAR SODIUM DODECYLBENZENE SULFONIC ACID|Lipon LH 500|Maranil DBS|Marlon AS 3|n-Dodecylbenzenesulfonic acid|Nacconol 98SA|Nacure 5074|Nacure 5076|Nansa 1042P|Nansa SSA|Neopelex FS|Neopelex GS|P 3 Vetralat|Polystep A 13|Rhodacal SSA/A|Richonic Acid B|Soft Osen 5S|Sulfosoft|Sulframin 1298|Sulframin Acid 1298|Taycacure AC 430|Taycapower L 120D|Taycapower L 122|Ufacid K|UNII-60NSK897G9|Witco 1298 Acid Soft|Witco 1298 Soft Acid|Witco 1298 sulfonic acid|106602-89-5|111839-63-5|112509-31-6|1232441-14-3|124743-21-1|1323-12-2|147625-74-9|175069-51-9|210106-05-1|219316-00-4|2205889-82-1|220880-99-9|27157-97-7|313478-89-6|37321-08-7|39355-45-8|54824-36-1|61400-71-3|811862-51-8|889890-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027923
ERPathway2016 ERPathway2016_64 Dodecylbenzenesulfonic acid 27176-87-0 DTXSID6027923 ER Pathway Model, Antagonist Model Score 0.0328 Unitless Dodecylbenzenesulfonic acid 27176-87-0|Dodecylbenzenesulfonic acid|Acide dodecylbenzenesulfonique|acido dodecilbencenosulfonico|Ambicat LE 4476|Benzenesulfonic acid, dodecyl|Benzenesulfonic acid, dodecyl-|Benzenesulphonic acid, dodecyl-|Bio-Soft S 100|Bio-Soft S 101|Biosoft S 126|Calsoft LAS 99|Caswell No. 413C|Catalyst 600|Catalyst 6000|Dobanic acid|Dobanic acid 83|Dobanic acid JN|DODECYLBENZENE SULFONIC ACID|Dodecylbenzenesulfonate|dodecylbenzenesulphonic acid|Dodecylbenzolsulfonsaure|EINECS 217-555-1|EINECS 248-289-4|Elfan WA Sulphonic Acid|EPA Pesticide Chemical Code 098002|Laurylbenzenesulfonic acid|LINEAR SODIUM DODECYLBENZENE SULFONIC ACID|Lipon LH 500|Maranil DBS|Marlon AS 3|n-Dodecylbenzenesulfonic acid|Nacconol 98SA|Nacure 5074|Nacure 5076|Nansa 1042P|Nansa SSA|Neopelex FS|Neopelex GS|P 3 Vetralat|Polystep A 13|Rhodacal SSA/A|Richonic Acid B|Soft Osen 5S|Sulfosoft|Sulframin 1298|Sulframin Acid 1298|Taycacure AC 430|Taycapower L 120D|Taycapower L 122|Ufacid K|UNII-60NSK897G9|Witco 1298 Acid Soft|Witco 1298 Soft Acid|Witco 1298 sulfonic acid|106602-89-5|111839-63-5|112509-31-6|1232441-14-3|124743-21-1|1323-12-2|147625-74-9|175069-51-9|210106-05-1|219316-00-4|2205889-82-1|220880-99-9|27157-97-7|313478-89-6|37321-08-7|39355-45-8|54824-36-1|61400-71-3|811862-51-8|889890-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027923
ERPathway2016 ERPathway2016_64 Dodecylbenzenesulfonic acid 27176-87-0 DTXSID6027923 ER Pathway Model, Agonist Call Active Unitless Dodecylbenzenesulfonic acid 27176-87-0|Dodecylbenzenesulfonic acid|Acide dodecylbenzenesulfonique|acido dodecilbencenosulfonico|Ambicat LE 4476|Benzenesulfonic acid, dodecyl|Benzenesulfonic acid, dodecyl-|Benzenesulphonic acid, dodecyl-|Bio-Soft S 100|Bio-Soft S 101|Biosoft S 126|Calsoft LAS 99|Caswell No. 413C|Catalyst 600|Catalyst 6000|Dobanic acid|Dobanic acid 83|Dobanic acid JN|DODECYLBENZENE SULFONIC ACID|Dodecylbenzenesulfonate|dodecylbenzenesulphonic acid|Dodecylbenzolsulfonsaure|EINECS 217-555-1|EINECS 248-289-4|Elfan WA Sulphonic Acid|EPA Pesticide Chemical Code 098002|Laurylbenzenesulfonic acid|LINEAR SODIUM DODECYLBENZENE SULFONIC ACID|Lipon LH 500|Maranil DBS|Marlon AS 3|n-Dodecylbenzenesulfonic acid|Nacconol 98SA|Nacure 5074|Nacure 5076|Nansa 1042P|Nansa SSA|Neopelex FS|Neopelex GS|P 3 Vetralat|Polystep A 13|Rhodacal SSA/A|Richonic Acid B|Soft Osen 5S|Sulfosoft|Sulframin 1298|Sulframin Acid 1298|Taycacure AC 430|Taycapower L 120D|Taycapower L 122|Ufacid K|UNII-60NSK897G9|Witco 1298 Acid Soft|Witco 1298 Soft Acid|Witco 1298 sulfonic acid|106602-89-5|111839-63-5|112509-31-6|1232441-14-3|124743-21-1|1323-12-2|147625-74-9|175069-51-9|210106-05-1|219316-00-4|2205889-82-1|220880-99-9|27157-97-7|313478-89-6|37321-08-7|39355-45-8|54824-36-1|61400-71-3|811862-51-8|889890-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027923
ERPathway2016 ERPathway2016_64 Dodecylbenzenesulfonic acid 27176-87-0 DTXSID6027923 ER Pathway Model, Antagonist Call Inactive Unitless Dodecylbenzenesulfonic acid 27176-87-0|Dodecylbenzenesulfonic acid|Acide dodecylbenzenesulfonique|acido dodecilbencenosulfonico|Ambicat LE 4476|Benzenesulfonic acid, dodecyl|Benzenesulfonic acid, dodecyl-|Benzenesulphonic acid, dodecyl-|Bio-Soft S 100|Bio-Soft S 101|Biosoft S 126|Calsoft LAS 99|Caswell No. 413C|Catalyst 600|Catalyst 6000|Dobanic acid|Dobanic acid 83|Dobanic acid JN|DODECYLBENZENE SULFONIC ACID|Dodecylbenzenesulfonate|dodecylbenzenesulphonic acid|Dodecylbenzolsulfonsaure|EINECS 217-555-1|EINECS 248-289-4|Elfan WA Sulphonic Acid|EPA Pesticide Chemical Code 098002|Laurylbenzenesulfonic acid|LINEAR SODIUM DODECYLBENZENE SULFONIC ACID|Lipon LH 500|Maranil DBS|Marlon AS 3|n-Dodecylbenzenesulfonic acid|Nacconol 98SA|Nacure 5074|Nacure 5076|Nansa 1042P|Nansa SSA|Neopelex FS|Neopelex GS|P 3 Vetralat|Polystep A 13|Rhodacal SSA/A|Richonic Acid B|Soft Osen 5S|Sulfosoft|Sulframin 1298|Sulframin Acid 1298|Taycacure AC 430|Taycapower L 120D|Taycapower L 122|Ufacid K|UNII-60NSK897G9|Witco 1298 Acid Soft|Witco 1298 Soft Acid|Witco 1298 sulfonic acid|106602-89-5|111839-63-5|112509-31-6|1232441-14-3|124743-21-1|1323-12-2|147625-74-9|175069-51-9|210106-05-1|219316-00-4|2205889-82-1|220880-99-9|27157-97-7|313478-89-6|37321-08-7|39355-45-8|54824-36-1|61400-71-3|811862-51-8|889890-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027923
ARPathway2016 ARPathway2016_18 Dodecyltrimethylammonium chloride 112-00-5 DTXSID1026900 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 17.7607465893395 uM [Cl-].CCCCCCCCCCCC[N+](C)(C)C Dodecyltrimethylammonium chloride 112-00-5|Dodecyltrimethylammonium chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1)|1-Dodecanaminium, N,N,N-trimethyl-, chloride (Dodecyl trimethyl ammonium chloride)|Ammonium, dodecyltrimethyl-, chloride|Arquad 12-23|Arquad 12-25|Arquad 12-33|Arquad 12-37W|Arquad 12-50|Arquad 12/50|Arquad MC 50|Catinal LTC 35A|Catiogen L|Catiogen TML|Cation BB|Cation FB|Chlorure de dodecyltrimethylammonium|cloruro de dodeciltrimetilamonio|Dehyquart LT|Dodecyl trimethyl ammonium chloride|DODECYL-TRIMETHYL-AMMONIUM-CHLORID|Dodecyltrimethylammoniumchlorid|EINECS 203-927-0|Laurtrimonium chloride|LAURYL TRIMETHYL AMMONIUM CHLORIDE|Lauryltrimethylammonium chloride|Lauryltrimonium chloride|Monolauryltrimethylammonium chloride|N-Dodecyl-N,N,N-trimethylammonium chloride|n-Dodecyltrimethylammonium chloride|N,N,N-Trimethyl-1-dodecanaminium chloride|Nissan Cation BB|Nissan Cation BB 300|Nissan Cation FB|NSC 6931|Quartamin 24P|Quartamin 24W|Redicote E 5|Rewoquat B 18|Swanol CA 2150|Trimethyldodecylammonium chloride|Trimethyll|108779-79-9|1392044-09-5|37293-08-6|37380-56-6|59680-23-8|62395-69-1|71061-07-9|769136-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026900
ARPathway2016 ARPathway2016_18 Dodecyltrimethylammonium chloride 112-00-5 DTXSID1026900 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 9.45635249707941 uM [Cl-].CCCCCCCCCCCC[N+](C)(C)C Dodecyltrimethylammonium chloride 112-00-5|Dodecyltrimethylammonium chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1)|1-Dodecanaminium, N,N,N-trimethyl-, chloride (Dodecyl trimethyl ammonium chloride)|Ammonium, dodecyltrimethyl-, chloride|Arquad 12-23|Arquad 12-25|Arquad 12-33|Arquad 12-37W|Arquad 12-50|Arquad 12/50|Arquad MC 50|Catinal LTC 35A|Catiogen L|Catiogen TML|Cation BB|Cation FB|Chlorure de dodecyltrimethylammonium|cloruro de dodeciltrimetilamonio|Dehyquart LT|Dodecyl trimethyl ammonium chloride|DODECYL-TRIMETHYL-AMMONIUM-CHLORID|Dodecyltrimethylammoniumchlorid|EINECS 203-927-0|Laurtrimonium chloride|LAURYL TRIMETHYL AMMONIUM CHLORIDE|Lauryltrimethylammonium chloride|Lauryltrimonium chloride|Monolauryltrimethylammonium chloride|N-Dodecyl-N,N,N-trimethylammonium chloride|n-Dodecyltrimethylammonium chloride|N,N,N-Trimethyl-1-dodecanaminium chloride|Nissan Cation BB|Nissan Cation BB 300|Nissan Cation FB|NSC 6931|Quartamin 24P|Quartamin 24W|Redicote E 5|Rewoquat B 18|Swanol CA 2150|Trimethyldodecylammonium chloride|Trimethyll|108779-79-9|1392044-09-5|37293-08-6|37380-56-6|59680-23-8|62395-69-1|71061-07-9|769136-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026900
ARPathway2016 ARPathway2016_18 Dodecyltrimethylammonium chloride 112-00-5 DTXSID1026900 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.261 Unitless [Cl-].CCCCCCCCCCCC[N+](C)(C)C Dodecyltrimethylammonium chloride 112-00-5|Dodecyltrimethylammonium chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1)|1-Dodecanaminium, N,N,N-trimethyl-, chloride (Dodecyl trimethyl ammonium chloride)|Ammonium, dodecyltrimethyl-, chloride|Arquad 12-23|Arquad 12-25|Arquad 12-33|Arquad 12-37W|Arquad 12-50|Arquad 12/50|Arquad MC 50|Catinal LTC 35A|Catiogen L|Catiogen TML|Cation BB|Cation FB|Chlorure de dodecyltrimethylammonium|cloruro de dodeciltrimetilamonio|Dehyquart LT|Dodecyl trimethyl ammonium chloride|DODECYL-TRIMETHYL-AMMONIUM-CHLORID|Dodecyltrimethylammoniumchlorid|EINECS 203-927-0|Laurtrimonium chloride|LAURYL TRIMETHYL AMMONIUM CHLORIDE|Lauryltrimethylammonium chloride|Lauryltrimonium chloride|Monolauryltrimethylammonium chloride|N-Dodecyl-N,N,N-trimethylammonium chloride|n-Dodecyltrimethylammonium chloride|N,N,N-Trimethyl-1-dodecanaminium chloride|Nissan Cation BB|Nissan Cation BB 300|Nissan Cation FB|NSC 6931|Quartamin 24P|Quartamin 24W|Redicote E 5|Rewoquat B 18|Swanol CA 2150|Trimethyldodecylammonium chloride|Trimethyll|108779-79-9|1392044-09-5|37293-08-6|37380-56-6|59680-23-8|62395-69-1|71061-07-9|769136-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026900
ARPathway2016 ARPathway2016_18 Dodecyltrimethylammonium chloride 112-00-5 DTXSID1026900 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [Cl-].CCCCCCCCCCCC[N+](C)(C)C Dodecyltrimethylammonium chloride 112-00-5|Dodecyltrimethylammonium chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1)|1-Dodecanaminium, N,N,N-trimethyl-, chloride (Dodecyl trimethyl ammonium chloride)|Ammonium, dodecyltrimethyl-, chloride|Arquad 12-23|Arquad 12-25|Arquad 12-33|Arquad 12-37W|Arquad 12-50|Arquad 12/50|Arquad MC 50|Catinal LTC 35A|Catiogen L|Catiogen TML|Cation BB|Cation FB|Chlorure de dodecyltrimethylammonium|cloruro de dodeciltrimetilamonio|Dehyquart LT|Dodecyl trimethyl ammonium chloride|DODECYL-TRIMETHYL-AMMONIUM-CHLORID|Dodecyltrimethylammoniumchlorid|EINECS 203-927-0|Laurtrimonium chloride|LAURYL TRIMETHYL AMMONIUM CHLORIDE|Lauryltrimethylammonium chloride|Lauryltrimonium chloride|Monolauryltrimethylammonium chloride|N-Dodecyl-N,N,N-trimethylammonium chloride|n-Dodecyltrimethylammonium chloride|N,N,N-Trimethyl-1-dodecanaminium chloride|Nissan Cation BB|Nissan Cation BB 300|Nissan Cation FB|NSC 6931|Quartamin 24P|Quartamin 24W|Redicote E 5|Rewoquat B 18|Swanol CA 2150|Trimethyldodecylammonium chloride|Trimethyll|108779-79-9|1392044-09-5|37293-08-6|37380-56-6|59680-23-8|62395-69-1|71061-07-9|769136-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026900
ARPathway2016 ARPathway2016_18 Dodecyltrimethylammonium chloride 112-00-5 DTXSID1026900 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Cl-].CCCCCCCCCCCC[N+](C)(C)C Dodecyltrimethylammonium chloride 112-00-5|Dodecyltrimethylammonium chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1)|1-Dodecanaminium, N,N,N-trimethyl-, chloride (Dodecyl trimethyl ammonium chloride)|Ammonium, dodecyltrimethyl-, chloride|Arquad 12-23|Arquad 12-25|Arquad 12-33|Arquad 12-37W|Arquad 12-50|Arquad 12/50|Arquad MC 50|Catinal LTC 35A|Catiogen L|Catiogen TML|Cation BB|Cation FB|Chlorure de dodecyltrimethylammonium|cloruro de dodeciltrimetilamonio|Dehyquart LT|Dodecyl trimethyl ammonium chloride|DODECYL-TRIMETHYL-AMMONIUM-CHLORID|Dodecyltrimethylammoniumchlorid|EINECS 203-927-0|Laurtrimonium chloride|LAURYL TRIMETHYL AMMONIUM CHLORIDE|Lauryltrimethylammonium chloride|Lauryltrimonium chloride|Monolauryltrimethylammonium chloride|N-Dodecyl-N,N,N-trimethylammonium chloride|n-Dodecyltrimethylammonium chloride|N,N,N-Trimethyl-1-dodecanaminium chloride|Nissan Cation BB|Nissan Cation BB 300|Nissan Cation FB|NSC 6931|Quartamin 24P|Quartamin 24W|Redicote E 5|Rewoquat B 18|Swanol CA 2150|Trimethyldodecylammonium chloride|Trimethyll|108779-79-9|1392044-09-5|37293-08-6|37380-56-6|59680-23-8|62395-69-1|71061-07-9|769136-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026900
ARPathway2016 ARPathway2016_18 Dodecyltrimethylammonium chloride 112-00-5 DTXSID1026900 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].CCCCCCCCCCCC[N+](C)(C)C Dodecyltrimethylammonium chloride 112-00-5|Dodecyltrimethylammonium chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1)|1-Dodecanaminium, N,N,N-trimethyl-, chloride (Dodecyl trimethyl ammonium chloride)|Ammonium, dodecyltrimethyl-, chloride|Arquad 12-23|Arquad 12-25|Arquad 12-33|Arquad 12-37W|Arquad 12-50|Arquad 12/50|Arquad MC 50|Catinal LTC 35A|Catiogen L|Catiogen TML|Cation BB|Cation FB|Chlorure de dodecyltrimethylammonium|cloruro de dodeciltrimetilamonio|Dehyquart LT|Dodecyl trimethyl ammonium chloride|DODECYL-TRIMETHYL-AMMONIUM-CHLORID|Dodecyltrimethylammoniumchlorid|EINECS 203-927-0|Laurtrimonium chloride|LAURYL TRIMETHYL AMMONIUM CHLORIDE|Lauryltrimethylammonium chloride|Lauryltrimonium chloride|Monolauryltrimethylammonium chloride|N-Dodecyl-N,N,N-trimethylammonium chloride|n-Dodecyltrimethylammonium chloride|N,N,N-Trimethyl-1-dodecanaminium chloride|Nissan Cation BB|Nissan Cation BB 300|Nissan Cation FB|NSC 6931|Quartamin 24P|Quartamin 24W|Redicote E 5|Rewoquat B 18|Swanol CA 2150|Trimethyldodecylammonium chloride|Trimethyll|108779-79-9|1392044-09-5|37293-08-6|37380-56-6|59680-23-8|62395-69-1|71061-07-9|769136-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026900
ERPathway2016 ERPathway2016_507 Dodecyltrimethylammonium chloride 112-00-5 DTXSID1026900 R8 ER Pathway Model, Agonist Model Score 0 Unitless [Cl-].CCCCCCCCCCCC[N+](C)(C)C Dodecyltrimethylammonium chloride 112-00-5|Dodecyltrimethylammonium chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1)|1-Dodecanaminium, N,N,N-trimethyl-, chloride (Dodecyl trimethyl ammonium chloride)|Ammonium, dodecyltrimethyl-, chloride|Arquad 12-23|Arquad 12-25|Arquad 12-33|Arquad 12-37W|Arquad 12-50|Arquad 12/50|Arquad MC 50|Catinal LTC 35A|Catiogen L|Catiogen TML|Cation BB|Cation FB|Chlorure de dodecyltrimethylammonium|cloruro de dodeciltrimetilamonio|Dehyquart LT|Dodecyl trimethyl ammonium chloride|DODECYL-TRIMETHYL-AMMONIUM-CHLORID|Dodecyltrimethylammoniumchlorid|EINECS 203-927-0|Laurtrimonium chloride|LAURYL TRIMETHYL AMMONIUM CHLORIDE|Lauryltrimethylammonium chloride|Lauryltrimonium chloride|Monolauryltrimethylammonium chloride|N-Dodecyl-N,N,N-trimethylammonium chloride|n-Dodecyltrimethylammonium chloride|N,N,N-Trimethyl-1-dodecanaminium chloride|Nissan Cation BB|Nissan Cation BB 300|Nissan Cation FB|NSC 6931|Quartamin 24P|Quartamin 24W|Redicote E 5|Rewoquat B 18|Swanol CA 2150|Trimethyldodecylammonium chloride|Trimethyll|108779-79-9|1392044-09-5|37293-08-6|37380-56-6|59680-23-8|62395-69-1|71061-07-9|769136-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026900
ERPathway2016 ERPathway2016_507 Dodecyltrimethylammonium chloride 112-00-5 DTXSID1026900 R8 ER Pathway Model, Antagonist Model Score 0 Unitless [Cl-].CCCCCCCCCCCC[N+](C)(C)C Dodecyltrimethylammonium chloride 112-00-5|Dodecyltrimethylammonium chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1)|1-Dodecanaminium, N,N,N-trimethyl-, chloride (Dodecyl trimethyl ammonium chloride)|Ammonium, dodecyltrimethyl-, chloride|Arquad 12-23|Arquad 12-25|Arquad 12-33|Arquad 12-37W|Arquad 12-50|Arquad 12/50|Arquad MC 50|Catinal LTC 35A|Catiogen L|Catiogen TML|Cation BB|Cation FB|Chlorure de dodecyltrimethylammonium|cloruro de dodeciltrimetilamonio|Dehyquart LT|Dodecyl trimethyl ammonium chloride|DODECYL-TRIMETHYL-AMMONIUM-CHLORID|Dodecyltrimethylammoniumchlorid|EINECS 203-927-0|Laurtrimonium chloride|LAURYL TRIMETHYL AMMONIUM CHLORIDE|Lauryltrimethylammonium chloride|Lauryltrimonium chloride|Monolauryltrimethylammonium chloride|N-Dodecyl-N,N,N-trimethylammonium chloride|n-Dodecyltrimethylammonium chloride|N,N,N-Trimethyl-1-dodecanaminium chloride|Nissan Cation BB|Nissan Cation BB 300|Nissan Cation FB|NSC 6931|Quartamin 24P|Quartamin 24W|Redicote E 5|Rewoquat B 18|Swanol CA 2150|Trimethyldodecylammonium chloride|Trimethyll|108779-79-9|1392044-09-5|37293-08-6|37380-56-6|59680-23-8|62395-69-1|71061-07-9|769136-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026900
ERPathway2016 ERPathway2016_507 Dodecyltrimethylammonium chloride 112-00-5 DTXSID1026900 R8 ER Pathway Model, Agonist Call Inactive Unitless [Cl-].CCCCCCCCCCCC[N+](C)(C)C Dodecyltrimethylammonium chloride 112-00-5|Dodecyltrimethylammonium chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1)|1-Dodecanaminium, N,N,N-trimethyl-, chloride (Dodecyl trimethyl ammonium chloride)|Ammonium, dodecyltrimethyl-, chloride|Arquad 12-23|Arquad 12-25|Arquad 12-33|Arquad 12-37W|Arquad 12-50|Arquad 12/50|Arquad MC 50|Catinal LTC 35A|Catiogen L|Catiogen TML|Cation BB|Cation FB|Chlorure de dodecyltrimethylammonium|cloruro de dodeciltrimetilamonio|Dehyquart LT|Dodecyl trimethyl ammonium chloride|DODECYL-TRIMETHYL-AMMONIUM-CHLORID|Dodecyltrimethylammoniumchlorid|EINECS 203-927-0|Laurtrimonium chloride|LAURYL TRIMETHYL AMMONIUM CHLORIDE|Lauryltrimethylammonium chloride|Lauryltrimonium chloride|Monolauryltrimethylammonium chloride|N-Dodecyl-N,N,N-trimethylammonium chloride|n-Dodecyltrimethylammonium chloride|N,N,N-Trimethyl-1-dodecanaminium chloride|Nissan Cation BB|Nissan Cation BB 300|Nissan Cation FB|NSC 6931|Quartamin 24P|Quartamin 24W|Redicote E 5|Rewoquat B 18|Swanol CA 2150|Trimethyldodecylammonium chloride|Trimethyll|108779-79-9|1392044-09-5|37293-08-6|37380-56-6|59680-23-8|62395-69-1|71061-07-9|769136-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026900
ERPathway2016 ERPathway2016_507 Dodecyltrimethylammonium chloride 112-00-5 DTXSID1026900 R8 ER Pathway Model, Antagonist Call Inactive Unitless [Cl-].CCCCCCCCCCCC[N+](C)(C)C Dodecyltrimethylammonium chloride 112-00-5|Dodecyltrimethylammonium chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride|1-Dodecanaminium, N,N,N-trimethyl-, chloride (1:1)|1-Dodecanaminium, N,N,N-trimethyl-, chloride (Dodecyl trimethyl ammonium chloride)|Ammonium, dodecyltrimethyl-, chloride|Arquad 12-23|Arquad 12-25|Arquad 12-33|Arquad 12-37W|Arquad 12-50|Arquad 12/50|Arquad MC 50|Catinal LTC 35A|Catiogen L|Catiogen TML|Cation BB|Cation FB|Chlorure de dodecyltrimethylammonium|cloruro de dodeciltrimetilamonio|Dehyquart LT|Dodecyl trimethyl ammonium chloride|DODECYL-TRIMETHYL-AMMONIUM-CHLORID|Dodecyltrimethylammoniumchlorid|EINECS 203-927-0|Laurtrimonium chloride|LAURYL TRIMETHYL AMMONIUM CHLORIDE|Lauryltrimethylammonium chloride|Lauryltrimonium chloride|Monolauryltrimethylammonium chloride|N-Dodecyl-N,N,N-trimethylammonium chloride|n-Dodecyltrimethylammonium chloride|N,N,N-Trimethyl-1-dodecanaminium chloride|Nissan Cation BB|Nissan Cation BB 300|Nissan Cation FB|NSC 6931|Quartamin 24P|Quartamin 24W|Redicote E 5|Rewoquat B 18|Swanol CA 2150|Trimethyldodecylammonium chloride|Trimethyll|108779-79-9|1392044-09-5|37293-08-6|37380-56-6|59680-23-8|62395-69-1|71061-07-9|769136-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026900
ARPathway2016 ARPathway2016_1368 D-Xylose 58-86-6 DTXSID0023745 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC[C@@H](O)[C@H](O)[C@@H](O)C=O D-Xylose 58-86-6|D-Xylose|(+)-Xylose|(2R,3S,4R)-2,3,4,5-Tetrahydroxypentanal|(3R,4S,5R)-oxane-2,3,4,5-tetrol|2,3,4,5-Tetrahydroxypentanal|4-01-00-04223|BRN 1562108|D-(+)-Xylose|D-Xylo-pentose|D-xylopentose|D-xylopyranose|EINECS 200-400-7|FEMA No. 3606|HOLZZUCKER|NSC 122762|UNII-A1TA934AKO|Wood sugar|xilosa, pura|Xylo-pfan|Xylomed|Xylose|Xylose, D-|Xyloside|133-56-2|141492-19-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023745
ARPathway2016 ARPathway2016_1368 D-Xylose 58-86-6 DTXSID0023745 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC[C@@H](O)[C@H](O)[C@@H](O)C=O D-Xylose 58-86-6|D-Xylose|(+)-Xylose|(2R,3S,4R)-2,3,4,5-Tetrahydroxypentanal|(3R,4S,5R)-oxane-2,3,4,5-tetrol|2,3,4,5-Tetrahydroxypentanal|4-01-00-04223|BRN 1562108|D-(+)-Xylose|D-Xylo-pentose|D-xylopentose|D-xylopyranose|EINECS 200-400-7|FEMA No. 3606|HOLZZUCKER|NSC 122762|UNII-A1TA934AKO|Wood sugar|xilosa, pura|Xylo-pfan|Xylomed|Xylose|Xylose, D-|Xyloside|133-56-2|141492-19-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023745
ARPathway2016 ARPathway2016_1368 D-Xylose 58-86-6 DTXSID0023745 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC[C@@H](O)[C@H](O)[C@@H](O)C=O D-Xylose 58-86-6|D-Xylose|(+)-Xylose|(2R,3S,4R)-2,3,4,5-Tetrahydroxypentanal|(3R,4S,5R)-oxane-2,3,4,5-tetrol|2,3,4,5-Tetrahydroxypentanal|4-01-00-04223|BRN 1562108|D-(+)-Xylose|D-Xylo-pentose|D-xylopentose|D-xylopyranose|EINECS 200-400-7|FEMA No. 3606|HOLZZUCKER|NSC 122762|UNII-A1TA934AKO|Wood sugar|xilosa, pura|Xylo-pfan|Xylomed|Xylose|Xylose, D-|Xyloside|133-56-2|141492-19-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023745
ARPathway2016 ARPathway2016_1368 D-Xylose 58-86-6 DTXSID0023745 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC[C@@H](O)[C@H](O)[C@@H](O)C=O D-Xylose 58-86-6|D-Xylose|(+)-Xylose|(2R,3S,4R)-2,3,4,5-Tetrahydroxypentanal|(3R,4S,5R)-oxane-2,3,4,5-tetrol|2,3,4,5-Tetrahydroxypentanal|4-01-00-04223|BRN 1562108|D-(+)-Xylose|D-Xylo-pentose|D-xylopentose|D-xylopyranose|EINECS 200-400-7|FEMA No. 3606|HOLZZUCKER|NSC 122762|UNII-A1TA934AKO|Wood sugar|xilosa, pura|Xylo-pfan|Xylomed|Xylose|Xylose, D-|Xyloside|133-56-2|141492-19-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023745
ERPathway2016 ERPathway2016_1032 D-Xylose 58-86-6 DTXSID0023745 ER Pathway Model, Agonist Model Score 0 Unitless OC[C@@H](O)[C@H](O)[C@@H](O)C=O D-Xylose 58-86-6|D-Xylose|(+)-Xylose|(2R,3S,4R)-2,3,4,5-Tetrahydroxypentanal|(3R,4S,5R)-oxane-2,3,4,5-tetrol|2,3,4,5-Tetrahydroxypentanal|4-01-00-04223|BRN 1562108|D-(+)-Xylose|D-Xylo-pentose|D-xylopentose|D-xylopyranose|EINECS 200-400-7|FEMA No. 3606|HOLZZUCKER|NSC 122762|UNII-A1TA934AKO|Wood sugar|xilosa, pura|Xylo-pfan|Xylomed|Xylose|Xylose, D-|Xyloside|133-56-2|141492-19-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023745
ERPathway2016 ERPathway2016_1032 D-Xylose 58-86-6 DTXSID0023745 ER Pathway Model, Antagonist Model Score 0 Unitless OC[C@@H](O)[C@H](O)[C@@H](O)C=O D-Xylose 58-86-6|D-Xylose|(+)-Xylose|(2R,3S,4R)-2,3,4,5-Tetrahydroxypentanal|(3R,4S,5R)-oxane-2,3,4,5-tetrol|2,3,4,5-Tetrahydroxypentanal|4-01-00-04223|BRN 1562108|D-(+)-Xylose|D-Xylo-pentose|D-xylopentose|D-xylopyranose|EINECS 200-400-7|FEMA No. 3606|HOLZZUCKER|NSC 122762|UNII-A1TA934AKO|Wood sugar|xilosa, pura|Xylo-pfan|Xylomed|Xylose|Xylose, D-|Xyloside|133-56-2|141492-19-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023745
ERPathway2016 ERPathway2016_1032 D-Xylose 58-86-6 DTXSID0023745 ER Pathway Model, Agonist Call Inactive Unitless OC[C@@H](O)[C@H](O)[C@@H](O)C=O D-Xylose 58-86-6|D-Xylose|(+)-Xylose|(2R,3S,4R)-2,3,4,5-Tetrahydroxypentanal|(3R,4S,5R)-oxane-2,3,4,5-tetrol|2,3,4,5-Tetrahydroxypentanal|4-01-00-04223|BRN 1562108|D-(+)-Xylose|D-Xylo-pentose|D-xylopentose|D-xylopyranose|EINECS 200-400-7|FEMA No. 3606|HOLZZUCKER|NSC 122762|UNII-A1TA934AKO|Wood sugar|xilosa, pura|Xylo-pfan|Xylomed|Xylose|Xylose, D-|Xyloside|133-56-2|141492-19-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023745
ERPathway2016 ERPathway2016_1032 D-Xylose 58-86-6 DTXSID0023745 ER Pathway Model, Antagonist Call Inactive Unitless OC[C@@H](O)[C@H](O)[C@@H](O)C=O D-Xylose 58-86-6|D-Xylose|(+)-Xylose|(2R,3S,4R)-2,3,4,5-Tetrahydroxypentanal|(3R,4S,5R)-oxane-2,3,4,5-tetrol|2,3,4,5-Tetrahydroxypentanal|4-01-00-04223|BRN 1562108|D-(+)-Xylose|D-Xylo-pentose|D-xylopentose|D-xylopyranose|EINECS 200-400-7|FEMA No. 3606|HOLZZUCKER|NSC 122762|UNII-A1TA934AKO|Wood sugar|xilosa, pura|Xylo-pfan|Xylomed|Xylose|Xylose, D-|Xyloside|133-56-2|141492-19-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023745
ARPathway2016 ARPathway2016_395 Dysprosium(III) chloride 10025-74-8 DTXSID8041909 1.0 A2 AR Pathway Model, Antagonist Model Score 0 Unitless [Cl-].[Cl-].[Cl-].[Dy+3] Dysprosium(III) chloride 10025-74-8|Dysprosium(III) chloride|DyCl3|Dysprosium chloride|EINECS 233-039-9|NSC 174321 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041909
ARPathway2016 ARPathway2016_395 Dysprosium(III) chloride 10025-74-8 DTXSID8041909 1.0 A2 AR Pathway Model, Agonist Model Score 0 Unitless [Cl-].[Cl-].[Cl-].[Dy+3] Dysprosium(III) chloride 10025-74-8|Dysprosium(III) chloride|DyCl3|Dysprosium chloride|EINECS 233-039-9|NSC 174321 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041909
ARPathway2016 ARPathway2016_395 Dysprosium(III) chloride 10025-74-8 DTXSID8041909 1.0 A2 AR Pathway Model, Agonist Call Inactive Unitless [Cl-].[Cl-].[Cl-].[Dy+3] Dysprosium(III) chloride 10025-74-8|Dysprosium(III) chloride|DyCl3|Dysprosium chloride|EINECS 233-039-9|NSC 174321 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041909
ARPathway2016 ARPathway2016_395 Dysprosium(III) chloride 10025-74-8 DTXSID8041909 1.0 A2 AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].[Cl-].[Cl-].[Dy+3] Dysprosium(III) chloride 10025-74-8|Dysprosium(III) chloride|DyCl3|Dysprosium chloride|EINECS 233-039-9|NSC 174321 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041909
ERPathway2016 ERPathway2016_1016 Dysprosium(III) chloride 10025-74-8 DTXSID8041909 ER Pathway Model, Agonist Model Score 0 Unitless [Cl-].[Cl-].[Cl-].[Dy+3] Dysprosium(III) chloride 10025-74-8|Dysprosium(III) chloride|DyCl3|Dysprosium chloride|EINECS 233-039-9|NSC 174321 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041909
ERPathway2016 ERPathway2016_1016 Dysprosium(III) chloride 10025-74-8 DTXSID8041909 ER Pathway Model, Antagonist Model Score 0 Unitless [Cl-].[Cl-].[Cl-].[Dy+3] Dysprosium(III) chloride 10025-74-8|Dysprosium(III) chloride|DyCl3|Dysprosium chloride|EINECS 233-039-9|NSC 174321 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041909
ERPathway2016 ERPathway2016_1016 Dysprosium(III) chloride 10025-74-8 DTXSID8041909 ER Pathway Model, Agonist Call Inactive Unitless [Cl-].[Cl-].[Cl-].[Dy+3] Dysprosium(III) chloride 10025-74-8|Dysprosium(III) chloride|DyCl3|Dysprosium chloride|EINECS 233-039-9|NSC 174321 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041909
ERPathway2016 ERPathway2016_1016 Dysprosium(III) chloride 10025-74-8 DTXSID8041909 ER Pathway Model, Antagonist Call Inactive Unitless [Cl-].[Cl-].[Cl-].[Dy+3] Dysprosium(III) chloride 10025-74-8|Dysprosium(III) chloride|DyCl3|Dysprosium chloride|EINECS 233-039-9|NSC 174321 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041909
ARPathway2016 ARPathway2016_1026 ECC 2386-87-0 DTXSID2027466 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C(OCC1CCC2OC2C1)C1CCC2OC2C1 ECC 2386-87-0|ECC|3,4-Epoxycyclohexanecarboxylic acid (3,4-epoxycyclohexylmethyl) ester|3,4-Epoxycyclohexanemethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexane carboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl-3,4-epoxycyclohexanecarboxylate|7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester|BRN 1381750|Chissonox 221 monomer|EINECS 219-207-4|UNII-S224DEL3P4|UT-632|37042-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027466
ARPathway2016 ARPathway2016_1026 ECC 2386-87-0 DTXSID2027466 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C(OCC1CCC2OC2C1)C1CCC2OC2C1 ECC 2386-87-0|ECC|3,4-Epoxycyclohexanecarboxylic acid (3,4-epoxycyclohexylmethyl) ester|3,4-Epoxycyclohexanemethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexane carboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl-3,4-epoxycyclohexanecarboxylate|7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester|BRN 1381750|Chissonox 221 monomer|EINECS 219-207-4|UNII-S224DEL3P4|UT-632|37042-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027466
ARPathway2016 ARPathway2016_1026 ECC 2386-87-0 DTXSID2027466 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C(OCC1CCC2OC2C1)C1CCC2OC2C1 ECC 2386-87-0|ECC|3,4-Epoxycyclohexanecarboxylic acid (3,4-epoxycyclohexylmethyl) ester|3,4-Epoxycyclohexanemethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexane carboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl-3,4-epoxycyclohexanecarboxylate|7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester|BRN 1381750|Chissonox 221 monomer|EINECS 219-207-4|UNII-S224DEL3P4|UT-632|37042-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027466
ARPathway2016 ARPathway2016_1026 ECC 2386-87-0 DTXSID2027466 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C(OCC1CCC2OC2C1)C1CCC2OC2C1 ECC 2386-87-0|ECC|3,4-Epoxycyclohexanecarboxylic acid (3,4-epoxycyclohexylmethyl) ester|3,4-Epoxycyclohexanemethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexane carboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl-3,4-epoxycyclohexanecarboxylate|7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester|BRN 1381750|Chissonox 221 monomer|EINECS 219-207-4|UNII-S224DEL3P4|UT-632|37042-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027466
ERPathway2016 ERPathway2016_462 ECC 2386-87-0 DTXSID2027466 ER Pathway Model, Antagonist AC50 11.5991437539903 uM O=C(OCC1CCC2OC2C1)C1CCC2OC2C1 ECC 2386-87-0|ECC|3,4-Epoxycyclohexanecarboxylic acid (3,4-epoxycyclohexylmethyl) ester|3,4-Epoxycyclohexanemethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexane carboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl-3,4-epoxycyclohexanecarboxylate|7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester|BRN 1381750|Chissonox 221 monomer|EINECS 219-207-4|UNII-S224DEL3P4|UT-632|37042-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027466
ERPathway2016 ERPathway2016_462 ECC 2386-87-0 DTXSID2027466 ER Pathway Model, Antagonist ACC 15.4994244593247 uM O=C(OCC1CCC2OC2C1)C1CCC2OC2C1 ECC 2386-87-0|ECC|3,4-Epoxycyclohexanecarboxylic acid (3,4-epoxycyclohexylmethyl) ester|3,4-Epoxycyclohexanemethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexane carboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl-3,4-epoxycyclohexanecarboxylate|7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester|BRN 1381750|Chissonox 221 monomer|EINECS 219-207-4|UNII-S224DEL3P4|UT-632|37042-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027466
ERPathway2016 ERPathway2016_462 ECC 2386-87-0 DTXSID2027466 ER Pathway Model, Agonist Model Score 0.00355 Unitless O=C(OCC1CCC2OC2C1)C1CCC2OC2C1 ECC 2386-87-0|ECC|3,4-Epoxycyclohexanecarboxylic acid (3,4-epoxycyclohexylmethyl) ester|3,4-Epoxycyclohexanemethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexane carboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl-3,4-epoxycyclohexanecarboxylate|7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester|BRN 1381750|Chissonox 221 monomer|EINECS 219-207-4|UNII-S224DEL3P4|UT-632|37042-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027466
ERPathway2016 ERPathway2016_462 ECC 2386-87-0 DTXSID2027466 ER Pathway Model, Antagonist Model Score 0 Unitless O=C(OCC1CCC2OC2C1)C1CCC2OC2C1 ECC 2386-87-0|ECC|3,4-Epoxycyclohexanecarboxylic acid (3,4-epoxycyclohexylmethyl) ester|3,4-Epoxycyclohexanemethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexane carboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl-3,4-epoxycyclohexanecarboxylate|7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester|BRN 1381750|Chissonox 221 monomer|EINECS 219-207-4|UNII-S224DEL3P4|UT-632|37042-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027466
ERPathway2016 ERPathway2016_462 ECC 2386-87-0 DTXSID2027466 ER Pathway Model, Agonist Call Inactive Unitless O=C(OCC1CCC2OC2C1)C1CCC2OC2C1 ECC 2386-87-0|ECC|3,4-Epoxycyclohexanecarboxylic acid (3,4-epoxycyclohexylmethyl) ester|3,4-Epoxycyclohexanemethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexane carboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl-3,4-epoxycyclohexanecarboxylate|7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester|BRN 1381750|Chissonox 221 monomer|EINECS 219-207-4|UNII-S224DEL3P4|UT-632|37042-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027466
ERPathway2016 ERPathway2016_462 ECC 2386-87-0 DTXSID2027466 ER Pathway Model, Antagonist Call Active Unitless O=C(OCC1CCC2OC2C1)C1CCC2OC2C1 ECC 2386-87-0|ECC|3,4-Epoxycyclohexanecarboxylic acid (3,4-epoxycyclohexylmethyl) ester|3,4-Epoxycyclohexanemethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexane carboxylate|3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate|3,4-Epoxycyclohexylmethyl-3,4-epoxycyclohexanecarboxylate|7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester|BRN 1381750|Chissonox 221 monomer|EINECS 219-207-4|UNII-S224DEL3P4|UT-632|37042-87-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027466
ARPathway2016 ARPathway2016_825 E-Cinnamic acid 140-10-3 DTXSID5022489 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C=CC1=CC=CC=C1 E-Cinnamic acid 140-10-3|E-Cinnamic acid|(2E)-2-Phenyl-2-propenoate|(2E)-2-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propenoate|(2E)-3-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propeonic acid|(2E)-Cinnamic acid|(E)-3-Phenyl-2-propenoic acid|(E)-3-Phenylacrylate|(E)-3-Phenylacrylic acid|(E)-3-Phenylprop-2-enoate|(E)-3-Phenylprop-2-enoic acid|(E)-Cinnamic acid|2-Propenoic acid, 3-phenyl-, (2E)-|2-Propenoic acid, 3-phenyl-, (E)-|205-398-1|4-09-00-02002|Acide trans-cinnamique|acido trans-cinamico|Benzeneacrylic acid|BRN 1905952|Cinnamic acid, (E)-|EC No.: 205-398-1|EINECS 205-398-1|NSC 44010|Phenylacrylic acid|PROP-2-ENOIC ACID, 3-PHENYL-, (E)-|trans-3-Phenyl-2-propenoate|trans-3-Phenyl-2-propenoic acid|trans-3-Phenylacrylate|trans-3-Phenylacrylic acid|trans-b-Carboxystyrene|trans-beta-carboxystyrene|trans-Cinnamic acid|trans-Zimtsaeure|trans-zimtsaure|trans-b-Carboxystyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022489
ARPathway2016 ARPathway2016_825 E-Cinnamic acid 140-10-3 DTXSID5022489 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C=CC1=CC=CC=C1 E-Cinnamic acid 140-10-3|E-Cinnamic acid|(2E)-2-Phenyl-2-propenoate|(2E)-2-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propenoate|(2E)-3-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propeonic acid|(2E)-Cinnamic acid|(E)-3-Phenyl-2-propenoic acid|(E)-3-Phenylacrylate|(E)-3-Phenylacrylic acid|(E)-3-Phenylprop-2-enoate|(E)-3-Phenylprop-2-enoic acid|(E)-Cinnamic acid|2-Propenoic acid, 3-phenyl-, (2E)-|2-Propenoic acid, 3-phenyl-, (E)-|205-398-1|4-09-00-02002|Acide trans-cinnamique|acido trans-cinamico|Benzeneacrylic acid|BRN 1905952|Cinnamic acid, (E)-|EC No.: 205-398-1|EINECS 205-398-1|NSC 44010|Phenylacrylic acid|PROP-2-ENOIC ACID, 3-PHENYL-, (E)-|trans-3-Phenyl-2-propenoate|trans-3-Phenyl-2-propenoic acid|trans-3-Phenylacrylate|trans-3-Phenylacrylic acid|trans-b-Carboxystyrene|trans-beta-carboxystyrene|trans-Cinnamic acid|trans-Zimtsaeure|trans-zimtsaure|trans-b-Carboxystyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022489
ARPathway2016 ARPathway2016_825 E-Cinnamic acid 140-10-3 DTXSID5022489 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C=CC1=CC=CC=C1 E-Cinnamic acid 140-10-3|E-Cinnamic acid|(2E)-2-Phenyl-2-propenoate|(2E)-2-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propenoate|(2E)-3-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propeonic acid|(2E)-Cinnamic acid|(E)-3-Phenyl-2-propenoic acid|(E)-3-Phenylacrylate|(E)-3-Phenylacrylic acid|(E)-3-Phenylprop-2-enoate|(E)-3-Phenylprop-2-enoic acid|(E)-Cinnamic acid|2-Propenoic acid, 3-phenyl-, (2E)-|2-Propenoic acid, 3-phenyl-, (E)-|205-398-1|4-09-00-02002|Acide trans-cinnamique|acido trans-cinamico|Benzeneacrylic acid|BRN 1905952|Cinnamic acid, (E)-|EC No.: 205-398-1|EINECS 205-398-1|NSC 44010|Phenylacrylic acid|PROP-2-ENOIC ACID, 3-PHENYL-, (E)-|trans-3-Phenyl-2-propenoate|trans-3-Phenyl-2-propenoic acid|trans-3-Phenylacrylate|trans-3-Phenylacrylic acid|trans-b-Carboxystyrene|trans-beta-carboxystyrene|trans-Cinnamic acid|trans-Zimtsaeure|trans-zimtsaure|trans-b-Carboxystyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022489
ARPathway2016 ARPathway2016_825 E-Cinnamic acid 140-10-3 DTXSID5022489 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C=CC1=CC=CC=C1 E-Cinnamic acid 140-10-3|E-Cinnamic acid|(2E)-2-Phenyl-2-propenoate|(2E)-2-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propenoate|(2E)-3-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propeonic acid|(2E)-Cinnamic acid|(E)-3-Phenyl-2-propenoic acid|(E)-3-Phenylacrylate|(E)-3-Phenylacrylic acid|(E)-3-Phenylprop-2-enoate|(E)-3-Phenylprop-2-enoic acid|(E)-Cinnamic acid|2-Propenoic acid, 3-phenyl-, (2E)-|2-Propenoic acid, 3-phenyl-, (E)-|205-398-1|4-09-00-02002|Acide trans-cinnamique|acido trans-cinamico|Benzeneacrylic acid|BRN 1905952|Cinnamic acid, (E)-|EC No.: 205-398-1|EINECS 205-398-1|NSC 44010|Phenylacrylic acid|PROP-2-ENOIC ACID, 3-PHENYL-, (E)-|trans-3-Phenyl-2-propenoate|trans-3-Phenyl-2-propenoic acid|trans-3-Phenylacrylate|trans-3-Phenylacrylic acid|trans-b-Carboxystyrene|trans-beta-carboxystyrene|trans-Cinnamic acid|trans-Zimtsaeure|trans-zimtsaure|trans-b-Carboxystyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022489
ERPathway2016 ERPathway2016_233 E-Cinnamic acid 140-10-3 DTXSID5022489 Agonist ER Pathway Model, Antagonist AC50 25.8317108495128 uM OC(=O)C=CC1=CC=CC=C1 E-Cinnamic acid 140-10-3|E-Cinnamic acid|(2E)-2-Phenyl-2-propenoate|(2E)-2-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propenoate|(2E)-3-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propeonic acid|(2E)-Cinnamic acid|(E)-3-Phenyl-2-propenoic acid|(E)-3-Phenylacrylate|(E)-3-Phenylacrylic acid|(E)-3-Phenylprop-2-enoate|(E)-3-Phenylprop-2-enoic acid|(E)-Cinnamic acid|2-Propenoic acid, 3-phenyl-, (2E)-|2-Propenoic acid, 3-phenyl-, (E)-|205-398-1|4-09-00-02002|Acide trans-cinnamique|acido trans-cinamico|Benzeneacrylic acid|BRN 1905952|Cinnamic acid, (E)-|EC No.: 205-398-1|EINECS 205-398-1|NSC 44010|Phenylacrylic acid|PROP-2-ENOIC ACID, 3-PHENYL-, (E)-|trans-3-Phenyl-2-propenoate|trans-3-Phenyl-2-propenoic acid|trans-3-Phenylacrylate|trans-3-Phenylacrylic acid|trans-b-Carboxystyrene|trans-beta-carboxystyrene|trans-Cinnamic acid|trans-Zimtsaeure|trans-zimtsaure|trans-b-Carboxystyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022489
ERPathway2016 ERPathway2016_233 E-Cinnamic acid 140-10-3 DTXSID5022489 Agonist ER Pathway Model, Antagonist ACC 14.93932984748 uM OC(=O)C=CC1=CC=CC=C1 E-Cinnamic acid 140-10-3|E-Cinnamic acid|(2E)-2-Phenyl-2-propenoate|(2E)-2-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propenoate|(2E)-3-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propeonic acid|(2E)-Cinnamic acid|(E)-3-Phenyl-2-propenoic acid|(E)-3-Phenylacrylate|(E)-3-Phenylacrylic acid|(E)-3-Phenylprop-2-enoate|(E)-3-Phenylprop-2-enoic acid|(E)-Cinnamic acid|2-Propenoic acid, 3-phenyl-, (2E)-|2-Propenoic acid, 3-phenyl-, (E)-|205-398-1|4-09-00-02002|Acide trans-cinnamique|acido trans-cinamico|Benzeneacrylic acid|BRN 1905952|Cinnamic acid, (E)-|EC No.: 205-398-1|EINECS 205-398-1|NSC 44010|Phenylacrylic acid|PROP-2-ENOIC ACID, 3-PHENYL-, (E)-|trans-3-Phenyl-2-propenoate|trans-3-Phenyl-2-propenoic acid|trans-3-Phenylacrylate|trans-3-Phenylacrylic acid|trans-b-Carboxystyrene|trans-beta-carboxystyrene|trans-Cinnamic acid|trans-Zimtsaeure|trans-zimtsaure|trans-b-Carboxystyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022489
ERPathway2016 ERPathway2016_233 E-Cinnamic acid 140-10-3 DTXSID5022489 Agonist ER Pathway Model, Agonist Model Score 0.101 Unitless OC(=O)C=CC1=CC=CC=C1 E-Cinnamic acid 140-10-3|E-Cinnamic acid|(2E)-2-Phenyl-2-propenoate|(2E)-2-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propenoate|(2E)-3-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propeonic acid|(2E)-Cinnamic acid|(E)-3-Phenyl-2-propenoic acid|(E)-3-Phenylacrylate|(E)-3-Phenylacrylic acid|(E)-3-Phenylprop-2-enoate|(E)-3-Phenylprop-2-enoic acid|(E)-Cinnamic acid|2-Propenoic acid, 3-phenyl-, (2E)-|2-Propenoic acid, 3-phenyl-, (E)-|205-398-1|4-09-00-02002|Acide trans-cinnamique|acido trans-cinamico|Benzeneacrylic acid|BRN 1905952|Cinnamic acid, (E)-|EC No.: 205-398-1|EINECS 205-398-1|NSC 44010|Phenylacrylic acid|PROP-2-ENOIC ACID, 3-PHENYL-, (E)-|trans-3-Phenyl-2-propenoate|trans-3-Phenyl-2-propenoic acid|trans-3-Phenylacrylate|trans-3-Phenylacrylic acid|trans-b-Carboxystyrene|trans-beta-carboxystyrene|trans-Cinnamic acid|trans-Zimtsaeure|trans-zimtsaure|trans-b-Carboxystyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022489
ERPathway2016 ERPathway2016_233 E-Cinnamic acid 140-10-3 DTXSID5022489 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C=CC1=CC=CC=C1 E-Cinnamic acid 140-10-3|E-Cinnamic acid|(2E)-2-Phenyl-2-propenoate|(2E)-2-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propenoate|(2E)-3-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propeonic acid|(2E)-Cinnamic acid|(E)-3-Phenyl-2-propenoic acid|(E)-3-Phenylacrylate|(E)-3-Phenylacrylic acid|(E)-3-Phenylprop-2-enoate|(E)-3-Phenylprop-2-enoic acid|(E)-Cinnamic acid|2-Propenoic acid, 3-phenyl-, (2E)-|2-Propenoic acid, 3-phenyl-, (E)-|205-398-1|4-09-00-02002|Acide trans-cinnamique|acido trans-cinamico|Benzeneacrylic acid|BRN 1905952|Cinnamic acid, (E)-|EC No.: 205-398-1|EINECS 205-398-1|NSC 44010|Phenylacrylic acid|PROP-2-ENOIC ACID, 3-PHENYL-, (E)-|trans-3-Phenyl-2-propenoate|trans-3-Phenyl-2-propenoic acid|trans-3-Phenylacrylate|trans-3-Phenylacrylic acid|trans-b-Carboxystyrene|trans-beta-carboxystyrene|trans-Cinnamic acid|trans-Zimtsaeure|trans-zimtsaure|trans-b-Carboxystyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022489
ERPathway2016 ERPathway2016_233 E-Cinnamic acid 140-10-3 DTXSID5022489 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C=CC1=CC=CC=C1 E-Cinnamic acid 140-10-3|E-Cinnamic acid|(2E)-2-Phenyl-2-propenoate|(2E)-2-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propenoate|(2E)-3-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propeonic acid|(2E)-Cinnamic acid|(E)-3-Phenyl-2-propenoic acid|(E)-3-Phenylacrylate|(E)-3-Phenylacrylic acid|(E)-3-Phenylprop-2-enoate|(E)-3-Phenylprop-2-enoic acid|(E)-Cinnamic acid|2-Propenoic acid, 3-phenyl-, (2E)-|2-Propenoic acid, 3-phenyl-, (E)-|205-398-1|4-09-00-02002|Acide trans-cinnamique|acido trans-cinamico|Benzeneacrylic acid|BRN 1905952|Cinnamic acid, (E)-|EC No.: 205-398-1|EINECS 205-398-1|NSC 44010|Phenylacrylic acid|PROP-2-ENOIC ACID, 3-PHENYL-, (E)-|trans-3-Phenyl-2-propenoate|trans-3-Phenyl-2-propenoic acid|trans-3-Phenylacrylate|trans-3-Phenylacrylic acid|trans-b-Carboxystyrene|trans-beta-carboxystyrene|trans-Cinnamic acid|trans-Zimtsaeure|trans-zimtsaure|trans-b-Carboxystyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022489
ERPathway2016 ERPathway2016_233 E-Cinnamic acid 140-10-3 DTXSID5022489 Agonist ER Pathway Model, Antagonist Call Active Unitless OC(=O)C=CC1=CC=CC=C1 E-Cinnamic acid 140-10-3|E-Cinnamic acid|(2E)-2-Phenyl-2-propenoate|(2E)-2-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propenoate|(2E)-3-Phenyl-2-propenoic acid|(2E)-3-Phenyl-2-propeonic acid|(2E)-Cinnamic acid|(E)-3-Phenyl-2-propenoic acid|(E)-3-Phenylacrylate|(E)-3-Phenylacrylic acid|(E)-3-Phenylprop-2-enoate|(E)-3-Phenylprop-2-enoic acid|(E)-Cinnamic acid|2-Propenoic acid, 3-phenyl-, (2E)-|2-Propenoic acid, 3-phenyl-, (E)-|205-398-1|4-09-00-02002|Acide trans-cinnamique|acido trans-cinamico|Benzeneacrylic acid|BRN 1905952|Cinnamic acid, (E)-|EC No.: 205-398-1|EINECS 205-398-1|NSC 44010|Phenylacrylic acid|PROP-2-ENOIC ACID, 3-PHENYL-, (E)-|trans-3-Phenyl-2-propenoate|trans-3-Phenyl-2-propenoic acid|trans-3-Phenylacrylate|trans-3-Phenylacrylic acid|trans-b-Carboxystyrene|trans-beta-carboxystyrene|trans-Cinnamic acid|trans-Zimtsaeure|trans-zimtsaure|trans-b-Carboxystyrene https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022489
ARPathway2016 ARPathway2016_124 Econazole nitrate 24169-02-6 DTXSID6025226 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 11.9788589811458 uM O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 Econazole nitrate 24169-02-6|Econazole nitrate|(+-)-Econazole nitrate|1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate|1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate|Econazole mononitrate|EINECS 246-053-5|epi-Pevaryl|Gyno-pevaryl|Gyno-Pevaryl 150|Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate|NSC 243115|Pevaryl|Spectazole|UNII-H438WYN10E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025226 https://doi.org/10.22427/NTP-DATA-DTXSID6025226
ARPathway2016 ARPathway2016_124 Econazole nitrate 24169-02-6 DTXSID6025226 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 10.0037861492534 uM O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 Econazole nitrate 24169-02-6|Econazole nitrate|(+-)-Econazole nitrate|1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate|1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate|Econazole mononitrate|EINECS 246-053-5|epi-Pevaryl|Gyno-pevaryl|Gyno-Pevaryl 150|Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate|NSC 243115|Pevaryl|Spectazole|UNII-H438WYN10E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025226 https://doi.org/10.22427/NTP-DATA-DTXSID6025226
ARPathway2016 ARPathway2016_124 Econazole nitrate 24169-02-6 DTXSID6025226 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.401 Unitless O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 Econazole nitrate 24169-02-6|Econazole nitrate|(+-)-Econazole nitrate|1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate|1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate|Econazole mononitrate|EINECS 246-053-5|epi-Pevaryl|Gyno-pevaryl|Gyno-Pevaryl 150|Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate|NSC 243115|Pevaryl|Spectazole|UNII-H438WYN10E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025226 https://doi.org/10.22427/NTP-DATA-DTXSID6025226
ARPathway2016 ARPathway2016_124 Econazole nitrate 24169-02-6 DTXSID6025226 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 Econazole nitrate 24169-02-6|Econazole nitrate|(+-)-Econazole nitrate|1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate|1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate|Econazole mononitrate|EINECS 246-053-5|epi-Pevaryl|Gyno-pevaryl|Gyno-Pevaryl 150|Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate|NSC 243115|Pevaryl|Spectazole|UNII-H438WYN10E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025226 https://doi.org/10.22427/NTP-DATA-DTXSID6025226
ARPathway2016 ARPathway2016_124 Econazole nitrate 24169-02-6 DTXSID6025226 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 Econazole nitrate 24169-02-6|Econazole nitrate|(+-)-Econazole nitrate|1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate|1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate|Econazole mononitrate|EINECS 246-053-5|epi-Pevaryl|Gyno-pevaryl|Gyno-Pevaryl 150|Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate|NSC 243115|Pevaryl|Spectazole|UNII-H438WYN10E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025226 https://doi.org/10.22427/NTP-DATA-DTXSID6025226
ARPathway2016 ARPathway2016_124 Econazole nitrate 24169-02-6 DTXSID6025226 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 Econazole nitrate 24169-02-6|Econazole nitrate|(+-)-Econazole nitrate|1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate|1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate|Econazole mononitrate|EINECS 246-053-5|epi-Pevaryl|Gyno-pevaryl|Gyno-Pevaryl 150|Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate|NSC 243115|Pevaryl|Spectazole|UNII-H438WYN10E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025226 https://doi.org/10.22427/NTP-DATA-DTXSID6025226
ERPathway2016 ERPathway2016_98 Econazole nitrate 24169-02-6 DTXSID6025226 ER Pathway Model, Agonist AC50 65.4628895717775 uM O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 Econazole nitrate 24169-02-6|Econazole nitrate|(+-)-Econazole nitrate|1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate|1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate|Econazole mononitrate|EINECS 246-053-5|epi-Pevaryl|Gyno-pevaryl|Gyno-Pevaryl 150|Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate|NSC 243115|Pevaryl|Spectazole|UNII-H438WYN10E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025226 https://doi.org/10.22427/NTP-DATA-DTXSID6025226
ERPathway2016 ERPathway2016_98 Econazole nitrate 24169-02-6 DTXSID6025226 ER Pathway Model, Agonist ACC 51.3363126095153 uM O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 Econazole nitrate 24169-02-6|Econazole nitrate|(+-)-Econazole nitrate|1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate|1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate|Econazole mononitrate|EINECS 246-053-5|epi-Pevaryl|Gyno-pevaryl|Gyno-Pevaryl 150|Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate|NSC 243115|Pevaryl|Spectazole|UNII-H438WYN10E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025226 https://doi.org/10.22427/NTP-DATA-DTXSID6025226
ERPathway2016 ERPathway2016_98 Econazole nitrate 24169-02-6 DTXSID6025226 ER Pathway Model, Agonist Model Score 0 Unitless O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 Econazole nitrate 24169-02-6|Econazole nitrate|(+-)-Econazole nitrate|1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate|1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate|Econazole mononitrate|EINECS 246-053-5|epi-Pevaryl|Gyno-pevaryl|Gyno-Pevaryl 150|Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate|NSC 243115|Pevaryl|Spectazole|UNII-H438WYN10E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025226 https://doi.org/10.22427/NTP-DATA-DTXSID6025226
ERPathway2016 ERPathway2016_98 Econazole nitrate 24169-02-6 DTXSID6025226 ER Pathway Model, Antagonist Model Score 0.0666 Unitless O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 Econazole nitrate 24169-02-6|Econazole nitrate|(+-)-Econazole nitrate|1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate|1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate|Econazole mononitrate|EINECS 246-053-5|epi-Pevaryl|Gyno-pevaryl|Gyno-Pevaryl 150|Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate|NSC 243115|Pevaryl|Spectazole|UNII-H438WYN10E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025226 https://doi.org/10.22427/NTP-DATA-DTXSID6025226
ERPathway2016 ERPathway2016_98 Econazole nitrate 24169-02-6 DTXSID6025226 ER Pathway Model, Agonist Call Active Unitless O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 Econazole nitrate 24169-02-6|Econazole nitrate|(+-)-Econazole nitrate|1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate|1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate|Econazole mononitrate|EINECS 246-053-5|epi-Pevaryl|Gyno-pevaryl|Gyno-Pevaryl 150|Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate|NSC 243115|Pevaryl|Spectazole|UNII-H438WYN10E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025226 https://doi.org/10.22427/NTP-DATA-DTXSID6025226
ERPathway2016 ERPathway2016_98 Econazole nitrate 24169-02-6 DTXSID6025226 ER Pathway Model, Antagonist Call Inactive Unitless O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 Econazole nitrate 24169-02-6|Econazole nitrate|(+-)-Econazole nitrate|1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate|1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate|Econazole mononitrate|EINECS 246-053-5|epi-Pevaryl|Gyno-pevaryl|Gyno-Pevaryl 150|Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate|NSC 243115|Pevaryl|Spectazole|UNII-H438WYN10E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025226 https://doi.org/10.22427/NTP-DATA-DTXSID6025226
ARPathway2016 ARPathway2016_164 Elzasonan 361343-19-3 DTXSID7047277 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 25.77242215 uM CN1CCN(CC1)C1=CC=CC=C1C=C1/SCCN(C1=O)C1=CC=C(Cl)C(Cl)=C1 Elzasonan 361343-19-3|Elzasonan|CP-448187|UNII-933PJL964R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047277
ARPathway2016 ARPathway2016_164 Elzasonan 361343-19-3 DTXSID7047277 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 21.5301561500114 uM CN1CCN(CC1)C1=CC=CC=C1C=C1/SCCN(C1=O)C1=CC=C(Cl)C(Cl)=C1 Elzasonan 361343-19-3|Elzasonan|CP-448187|UNII-933PJL964R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047277
ARPathway2016 ARPathway2016_164 Elzasonan 361343-19-3 DTXSID7047277 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.12 Unitless CN1CCN(CC1)C1=CC=CC=C1C=C1/SCCN(C1=O)C1=CC=C(Cl)C(Cl)=C1 Elzasonan 361343-19-3|Elzasonan|CP-448187|UNII-933PJL964R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047277
ARPathway2016 ARPathway2016_164 Elzasonan 361343-19-3 DTXSID7047277 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CN1CCN(CC1)C1=CC=CC=C1C=C1/SCCN(C1=O)C1=CC=C(Cl)C(Cl)=C1 Elzasonan 361343-19-3|Elzasonan|CP-448187|UNII-933PJL964R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047277
ARPathway2016 ARPathway2016_164 Elzasonan 361343-19-3 DTXSID7047277 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CN1CCN(CC1)C1=CC=CC=C1C=C1/SCCN(C1=O)C1=CC=C(Cl)C(Cl)=C1 Elzasonan 361343-19-3|Elzasonan|CP-448187|UNII-933PJL964R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047277
ARPathway2016 ARPathway2016_164 Elzasonan 361343-19-3 DTXSID7047277 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CN1CCN(CC1)C1=CC=CC=C1C=C1/SCCN(C1=O)C1=CC=C(Cl)C(Cl)=C1 Elzasonan 361343-19-3|Elzasonan|CP-448187|UNII-933PJL964R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047277
ERPathway2016 ERPathway2016_93 Elzasonan 361343-19-3 DTXSID7047277 ER Pathway Model, Agonist AC50 56.3925942863623 uM CN1CCN(CC1)C1=CC=CC=C1C=C1/SCCN(C1=O)C1=CC=C(Cl)C(Cl)=C1 Elzasonan 361343-19-3|Elzasonan|CP-448187|UNII-933PJL964R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047277
ERPathway2016 ERPathway2016_93 Elzasonan 361343-19-3 DTXSID7047277 ER Pathway Model, Agonist ACC 52.8046693266816 uM CN1CCN(CC1)C1=CC=CC=C1C=C1/SCCN(C1=O)C1=CC=C(Cl)C(Cl)=C1 Elzasonan 361343-19-3|Elzasonan|CP-448187|UNII-933PJL964R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047277
ERPathway2016 ERPathway2016_93 Elzasonan 361343-19-3 DTXSID7047277 ER Pathway Model, Agonist Model Score 0 Unitless CN1CCN(CC1)C1=CC=CC=C1C=C1/SCCN(C1=O)C1=CC=C(Cl)C(Cl)=C1 Elzasonan 361343-19-3|Elzasonan|CP-448187|UNII-933PJL964R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047277
ERPathway2016 ERPathway2016_93 Elzasonan 361343-19-3 DTXSID7047277 ER Pathway Model, Antagonist Model Score 0.0129 Unitless CN1CCN(CC1)C1=CC=CC=C1C=C1/SCCN(C1=O)C1=CC=C(Cl)C(Cl)=C1 Elzasonan 361343-19-3|Elzasonan|CP-448187|UNII-933PJL964R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047277
ERPathway2016 ERPathway2016_93 Elzasonan 361343-19-3 DTXSID7047277 ER Pathway Model, Agonist Call Active Unitless CN1CCN(CC1)C1=CC=CC=C1C=C1/SCCN(C1=O)C1=CC=C(Cl)C(Cl)=C1 Elzasonan 361343-19-3|Elzasonan|CP-448187|UNII-933PJL964R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047277
ERPathway2016 ERPathway2016_93 Elzasonan 361343-19-3 DTXSID7047277 ER Pathway Model, Antagonist Call Inactive Unitless CN1CCN(CC1)C1=CC=CC=C1C=C1/SCCN(C1=O)C1=CC=C(Cl)C(Cl)=C1 Elzasonan 361343-19-3|Elzasonan|CP-448187|UNII-933PJL964R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047277
ARPathway2016 ARPathway2016_83 Emamectin benzoate 155569-91-8 DTXSID0034566 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 5.867206923 uM Emamectin benzoate 155569-91-8|Emamectin benzoate|4''-Epimethylamino-4''-deoxyavermectin B1a and B1b benzoates|Avermectin B1, 4''-deoxy-4''-(methylamino)-, (4''R)-, benzoate (1:1)|Methylamino abamectin benzoate|Proclaim|Proclaim 5SG|Shot Wan|Shot Wan Liquid Formulation|UNII-HVM3G4A01W|137512-74-4|179607-18-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034566
ARPathway2016 ARPathway2016_83 Emamectin benzoate 155569-91-8 DTXSID0034566 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 2.62010795 uM Emamectin benzoate 155569-91-8|Emamectin benzoate|4''-Epimethylamino-4''-deoxyavermectin B1a and B1b benzoates|Avermectin B1, 4''-deoxy-4''-(methylamino)-, (4''R)-, benzoate (1:1)|Methylamino abamectin benzoate|Proclaim|Proclaim 5SG|Shot Wan|Shot Wan Liquid Formulation|UNII-HVM3G4A01W|137512-74-4|179607-18-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034566
ARPathway2016 ARPathway2016_83 Emamectin benzoate 155569-91-8 DTXSID0034566 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.515 Unitless Emamectin benzoate 155569-91-8|Emamectin benzoate|4''-Epimethylamino-4''-deoxyavermectin B1a and B1b benzoates|Avermectin B1, 4''-deoxy-4''-(methylamino)-, (4''R)-, benzoate (1:1)|Methylamino abamectin benzoate|Proclaim|Proclaim 5SG|Shot Wan|Shot Wan Liquid Formulation|UNII-HVM3G4A01W|137512-74-4|179607-18-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034566
ARPathway2016 ARPathway2016_83 Emamectin benzoate 155569-91-8 DTXSID0034566 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless Emamectin benzoate 155569-91-8|Emamectin benzoate|4''-Epimethylamino-4''-deoxyavermectin B1a and B1b benzoates|Avermectin B1, 4''-deoxy-4''-(methylamino)-, (4''R)-, benzoate (1:1)|Methylamino abamectin benzoate|Proclaim|Proclaim 5SG|Shot Wan|Shot Wan Liquid Formulation|UNII-HVM3G4A01W|137512-74-4|179607-18-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034566
ARPathway2016 ARPathway2016_83 Emamectin benzoate 155569-91-8 DTXSID0034566 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Emamectin benzoate 155569-91-8|Emamectin benzoate|4''-Epimethylamino-4''-deoxyavermectin B1a and B1b benzoates|Avermectin B1, 4''-deoxy-4''-(methylamino)-, (4''R)-, benzoate (1:1)|Methylamino abamectin benzoate|Proclaim|Proclaim 5SG|Shot Wan|Shot Wan Liquid Formulation|UNII-HVM3G4A01W|137512-74-4|179607-18-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034566
ARPathway2016 ARPathway2016_83 Emamectin benzoate 155569-91-8 DTXSID0034566 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Emamectin benzoate 155569-91-8|Emamectin benzoate|4''-Epimethylamino-4''-deoxyavermectin B1a and B1b benzoates|Avermectin B1, 4''-deoxy-4''-(methylamino)-, (4''R)-, benzoate (1:1)|Methylamino abamectin benzoate|Proclaim|Proclaim 5SG|Shot Wan|Shot Wan Liquid Formulation|UNII-HVM3G4A01W|137512-74-4|179607-18-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034566
ERPathway2016 ERPathway2016_557 Emamectin benzoate 155569-91-8 DTXSID0034566 R9 ER Pathway Model, Agonist Model Score 0 Unitless Emamectin benzoate 155569-91-8|Emamectin benzoate|4''-Epimethylamino-4''-deoxyavermectin B1a and B1b benzoates|Avermectin B1, 4''-deoxy-4''-(methylamino)-, (4''R)-, benzoate (1:1)|Methylamino abamectin benzoate|Proclaim|Proclaim 5SG|Shot Wan|Shot Wan Liquid Formulation|UNII-HVM3G4A01W|137512-74-4|179607-18-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034566
ERPathway2016 ERPathway2016_557 Emamectin benzoate 155569-91-8 DTXSID0034566 R9 ER Pathway Model, Antagonist Model Score 0 Unitless Emamectin benzoate 155569-91-8|Emamectin benzoate|4''-Epimethylamino-4''-deoxyavermectin B1a and B1b benzoates|Avermectin B1, 4''-deoxy-4''-(methylamino)-, (4''R)-, benzoate (1:1)|Methylamino abamectin benzoate|Proclaim|Proclaim 5SG|Shot Wan|Shot Wan Liquid Formulation|UNII-HVM3G4A01W|137512-74-4|179607-18-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034566
ERPathway2016 ERPathway2016_557 Emamectin benzoate 155569-91-8 DTXSID0034566 R9 ER Pathway Model, Agonist Call Inactive Unitless Emamectin benzoate 155569-91-8|Emamectin benzoate|4''-Epimethylamino-4''-deoxyavermectin B1a and B1b benzoates|Avermectin B1, 4''-deoxy-4''-(methylamino)-, (4''R)-, benzoate (1:1)|Methylamino abamectin benzoate|Proclaim|Proclaim 5SG|Shot Wan|Shot Wan Liquid Formulation|UNII-HVM3G4A01W|137512-74-4|179607-18-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034566
ERPathway2016 ERPathway2016_557 Emamectin benzoate 155569-91-8 DTXSID0034566 R9 ER Pathway Model, Antagonist Call Inactive Unitless Emamectin benzoate 155569-91-8|Emamectin benzoate|4''-Epimethylamino-4''-deoxyavermectin B1a and B1b benzoates|Avermectin B1, 4''-deoxy-4''-(methylamino)-, (4''R)-, benzoate (1:1)|Methylamino abamectin benzoate|Proclaim|Proclaim 5SG|Shot Wan|Shot Wan Liquid Formulation|UNII-HVM3G4A01W|137512-74-4|179607-18-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034566
ARPathway2016 ARPathway2016_736 Enadoline 124378-77-4 DTXSID4047258 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)CC1=CC=CC2=C1C=CO2 Enadoline 124378-77-4|Enadoline|1-Oxaspiro[4.5]decane, 4-benzofuranacetamide deriv.|4-Benzofuranacetamide, N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-|UNII-KJL283326C https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047258
ARPathway2016 ARPathway2016_736 Enadoline 124378-77-4 DTXSID4047258 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)CC1=CC=CC2=C1C=CO2 Enadoline 124378-77-4|Enadoline|1-Oxaspiro[4.5]decane, 4-benzofuranacetamide deriv.|4-Benzofuranacetamide, N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-|UNII-KJL283326C https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047258
ARPathway2016 ARPathway2016_736 Enadoline 124378-77-4 DTXSID4047258 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)CC1=CC=CC2=C1C=CO2 Enadoline 124378-77-4|Enadoline|1-Oxaspiro[4.5]decane, 4-benzofuranacetamide deriv.|4-Benzofuranacetamide, N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-|UNII-KJL283326C https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047258
ARPathway2016 ARPathway2016_736 Enadoline 124378-77-4 DTXSID4047258 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)CC1=CC=CC2=C1C=CO2 Enadoline 124378-77-4|Enadoline|1-Oxaspiro[4.5]decane, 4-benzofuranacetamide deriv.|4-Benzofuranacetamide, N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-|UNII-KJL283326C https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047258
ERPathway2016 ERPathway2016_1247 Enadoline 124378-77-4 DTXSID4047258 ER Pathway Model, Agonist Model Score 0 Unitless CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)CC1=CC=CC2=C1C=CO2 Enadoline 124378-77-4|Enadoline|1-Oxaspiro[4.5]decane, 4-benzofuranacetamide deriv.|4-Benzofuranacetamide, N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-|UNII-KJL283326C https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047258
ERPathway2016 ERPathway2016_1247 Enadoline 124378-77-4 DTXSID4047258 ER Pathway Model, Antagonist Model Score 0 Unitless CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)CC1=CC=CC2=C1C=CO2 Enadoline 124378-77-4|Enadoline|1-Oxaspiro[4.5]decane, 4-benzofuranacetamide deriv.|4-Benzofuranacetamide, N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-|UNII-KJL283326C https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047258
ERPathway2016 ERPathway2016_1247 Enadoline 124378-77-4 DTXSID4047258 ER Pathway Model, Agonist Call Inactive Unitless CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)CC1=CC=CC2=C1C=CO2 Enadoline 124378-77-4|Enadoline|1-Oxaspiro[4.5]decane, 4-benzofuranacetamide deriv.|4-Benzofuranacetamide, N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-|UNII-KJL283326C https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047258
ERPathway2016 ERPathway2016_1247 Enadoline 124378-77-4 DTXSID4047258 ER Pathway Model, Antagonist Call Inactive Unitless CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)CC1=CC=CC2=C1C=CO2 Enadoline 124378-77-4|Enadoline|1-Oxaspiro[4.5]decane, 4-benzofuranacetamide deriv.|4-Benzofuranacetamide, N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-|UNII-KJL283326C https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047258
ARPathway2016 ARPathway2016_22 Endosulfan 115-29-7 DTXSID1020560 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 36.76824069 uM ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan 115-29-7|Endosulfan|1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)hepten-5,6-bioxymethylenesulfite|1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]-2-heptene-5,6-bisoxymethylene sulfite|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite|1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite|1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5, 5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexahydro-|alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite|Benzoepin|Caswell No. 420|Chlorthiepin|Crisulfan|Devisulp|426824-51-3|6994-04-3|8003-45-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020560 https://doi.org/10.22427/NTP-DATA-DTXSID1020560
ARPathway2016 ARPathway2016_22 Endosulfan 115-29-7 DTXSID1020560 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 32.3091367785352 uM ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan 115-29-7|Endosulfan|1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)hepten-5,6-bioxymethylenesulfite|1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]-2-heptene-5,6-bisoxymethylene sulfite|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite|1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite|1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5, 5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexahydro-|alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite|Benzoepin|Caswell No. 420|Chlorthiepin|Crisulfan|Devisulp|426824-51-3|6994-04-3|8003-45-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020560 https://doi.org/10.22427/NTP-DATA-DTXSID1020560
ARPathway2016 ARPathway2016_22 Endosulfan 115-29-7 DTXSID1020560 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0734 Unitless ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan 115-29-7|Endosulfan|1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)hepten-5,6-bioxymethylenesulfite|1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]-2-heptene-5,6-bisoxymethylene sulfite|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite|1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite|1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5, 5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexahydro-|alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite|Benzoepin|Caswell No. 420|Chlorthiepin|Crisulfan|Devisulp|426824-51-3|6994-04-3|8003-45-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020560 https://doi.org/10.22427/NTP-DATA-DTXSID1020560
ARPathway2016 ARPathway2016_22 Endosulfan 115-29-7 DTXSID1020560 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan 115-29-7|Endosulfan|1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)hepten-5,6-bioxymethylenesulfite|1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]-2-heptene-5,6-bisoxymethylene sulfite|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite|1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite|1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5, 5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexahydro-|alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite|Benzoepin|Caswell No. 420|Chlorthiepin|Crisulfan|Devisulp|426824-51-3|6994-04-3|8003-45-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020560 https://doi.org/10.22427/NTP-DATA-DTXSID1020560
ARPathway2016 ARPathway2016_22 Endosulfan 115-29-7 DTXSID1020560 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan 115-29-7|Endosulfan|1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)hepten-5,6-bioxymethylenesulfite|1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]-2-heptene-5,6-bisoxymethylene sulfite|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite|1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite|1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5, 5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexahydro-|alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite|Benzoepin|Caswell No. 420|Chlorthiepin|Crisulfan|Devisulp|426824-51-3|6994-04-3|8003-45-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020560 https://doi.org/10.22427/NTP-DATA-DTXSID1020560
ARPathway2016 ARPathway2016_22 Endosulfan 115-29-7 DTXSID1020560 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan 115-29-7|Endosulfan|1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)hepten-5,6-bioxymethylenesulfite|1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]-2-heptene-5,6-bisoxymethylene sulfite|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite|1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite|1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5, 5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexahydro-|alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite|Benzoepin|Caswell No. 420|Chlorthiepin|Crisulfan|Devisulp|426824-51-3|6994-04-3|8003-45-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020560 https://doi.org/10.22427/NTP-DATA-DTXSID1020560
ERPathway2016 ERPathway2016_308 Endosulfan 115-29-7 DTXSID1020560 ER Pathway Model, Antagonist AC50 4.19528883415563 uM ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan 115-29-7|Endosulfan|1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)hepten-5,6-bioxymethylenesulfite|1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]-2-heptene-5,6-bisoxymethylene sulfite|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite|1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite|1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5, 5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexahydro-|alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite|Benzoepin|Caswell No. 420|Chlorthiepin|Crisulfan|Devisulp|426824-51-3|6994-04-3|8003-45-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020560 https://doi.org/10.22427/NTP-DATA-DTXSID1020560
ERPathway2016 ERPathway2016_308 Endosulfan 115-29-7 DTXSID1020560 ER Pathway Model, Antagonist ACC 5.03398650155226 uM ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan 115-29-7|Endosulfan|1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)hepten-5,6-bioxymethylenesulfite|1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]-2-heptene-5,6-bisoxymethylene sulfite|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite|1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite|1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5, 5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexahydro-|alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite|Benzoepin|Caswell No. 420|Chlorthiepin|Crisulfan|Devisulp|426824-51-3|6994-04-3|8003-45-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020560 https://doi.org/10.22427/NTP-DATA-DTXSID1020560
ERPathway2016 ERPathway2016_308 Endosulfan 115-29-7 DTXSID1020560 ER Pathway Model, Agonist Model Score 0.0295 Unitless ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan 115-29-7|Endosulfan|1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)hepten-5,6-bioxymethylenesulfite|1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]-2-heptene-5,6-bisoxymethylene sulfite|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite|1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite|1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5, 5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexahydro-|alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite|Benzoepin|Caswell No. 420|Chlorthiepin|Crisulfan|Devisulp|426824-51-3|6994-04-3|8003-45-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020560 https://doi.org/10.22427/NTP-DATA-DTXSID1020560
ERPathway2016 ERPathway2016_308 Endosulfan 115-29-7 DTXSID1020560 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan 115-29-7|Endosulfan|1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)hepten-5,6-bioxymethylenesulfite|1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]-2-heptene-5,6-bisoxymethylene sulfite|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite|1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite|1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5, 5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexahydro-|alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite|Benzoepin|Caswell No. 420|Chlorthiepin|Crisulfan|Devisulp|426824-51-3|6994-04-3|8003-45-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020560 https://doi.org/10.22427/NTP-DATA-DTXSID1020560
ERPathway2016 ERPathway2016_308 Endosulfan 115-29-7 DTXSID1020560 ER Pathway Model, Agonist Call Inactive Unitless ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan 115-29-7|Endosulfan|1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)hepten-5,6-bioxymethylenesulfite|1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]-2-heptene-5,6-bisoxymethylene sulfite|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite|1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite|1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5, 5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexahydro-|alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite|Benzoepin|Caswell No. 420|Chlorthiepin|Crisulfan|Devisulp|426824-51-3|6994-04-3|8003-45-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020560 https://doi.org/10.22427/NTP-DATA-DTXSID1020560
ERPathway2016 ERPathway2016_308 Endosulfan 115-29-7 DTXSID1020560 ER Pathway Model, Antagonist Call Active Unitless ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan 115-29-7|Endosulfan|1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)hepten-5,6-bioxymethylenesulfite|1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]-2-heptene-5,6-bisoxymethylene sulfite|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite|1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-en-2,3-ylenedimethyl sulphite|1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.0(2,8)]dodec-10-ene 5-oxide|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5, 5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexahydro-|alpha,beta-1,2,3,4,7,7-Hexachlorobicyclo(2.2.1)-2-heptene-5,6-bisoxymethylene sulfite|Benzoepin|Caswell No. 420|Chlorthiepin|Crisulfan|Devisulp|426824-51-3|6994-04-3|8003-45-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020560 https://doi.org/10.22427/NTP-DATA-DTXSID1020560
ARPathway2016 ARPathway2016_317 Endosulfan I 959-98-8 DTXSID9037539 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist AC50 50.46286791 uM [H][C@]12CO[S@@](=O)OC[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Endosulfan I 959-98-8|Endosulfan I|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite, endo-|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (3a,5ab,6a,9a,9ab)-|a-Endosulfan-alpha|alpha-Benzoepin|alpha-Endosulfan|alpha-Thiodan|beta-Thionex|Endosulfan 1|Endosulfan A|Endosulfan a|Endosulphan I|Thiodan I|UNII-QY5Y9R7G0E|a-Benzoepin|a-Endosulfan|a-Thiodan|b-Thionex|12640-58-3|19595-59-6|29106-31-8|33213-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037539
ARPathway2016 ARPathway2016_317 Endosulfan I 959-98-8 DTXSID9037539 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist ACC 80.3445353699999 uM [H][C@]12CO[S@@](=O)OC[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Endosulfan I 959-98-8|Endosulfan I|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite, endo-|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (3a,5ab,6a,9a,9ab)-|a-Endosulfan-alpha|alpha-Benzoepin|alpha-Endosulfan|alpha-Thiodan|beta-Thionex|Endosulfan 1|Endosulfan A|Endosulfan a|Endosulphan I|Thiodan I|UNII-QY5Y9R7G0E|a-Benzoepin|a-Endosulfan|a-Thiodan|b-Thionex|12640-58-3|19595-59-6|29106-31-8|33213-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037539
ARPathway2016 ARPathway2016_317 Endosulfan I 959-98-8 DTXSID9037539 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Antagonist Model Score 0.0225 Unitless [H][C@]12CO[S@@](=O)OC[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Endosulfan I 959-98-8|Endosulfan I|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite, endo-|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (3a,5ab,6a,9a,9ab)-|a-Endosulfan-alpha|alpha-Benzoepin|alpha-Endosulfan|alpha-Thiodan|beta-Thionex|Endosulfan 1|Endosulfan A|Endosulfan a|Endosulphan I|Thiodan I|UNII-QY5Y9R7G0E|a-Benzoepin|a-Endosulfan|a-Thiodan|b-Thionex|12640-58-3|19595-59-6|29106-31-8|33213-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037539
ARPathway2016 ARPathway2016_317 Endosulfan I 959-98-8 DTXSID9037539 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless [H][C@]12CO[S@@](=O)OC[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Endosulfan I 959-98-8|Endosulfan I|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite, endo-|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (3a,5ab,6a,9a,9ab)-|a-Endosulfan-alpha|alpha-Benzoepin|alpha-Endosulfan|alpha-Thiodan|beta-Thionex|Endosulfan 1|Endosulfan A|Endosulfan a|Endosulphan I|Thiodan I|UNII-QY5Y9R7G0E|a-Benzoepin|a-Endosulfan|a-Thiodan|b-Thionex|12640-58-3|19595-59-6|29106-31-8|33213-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037539
ARPathway2016 ARPathway2016_317 Endosulfan I 959-98-8 DTXSID9037539 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist Call Active Unitless [H][C@]12CO[S@@](=O)OC[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Endosulfan I 959-98-8|Endosulfan I|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite, endo-|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (3a,5ab,6a,9a,9ab)-|a-Endosulfan-alpha|alpha-Benzoepin|alpha-Endosulfan|alpha-Thiodan|beta-Thionex|Endosulfan 1|Endosulfan A|Endosulfan a|Endosulphan I|Thiodan I|UNII-QY5Y9R7G0E|a-Benzoepin|a-Endosulfan|a-Thiodan|b-Thionex|12640-58-3|19595-59-6|29106-31-8|33213-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037539
ARPathway2016 ARPathway2016_317 Endosulfan I 959-98-8 DTXSID9037539 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless [H][C@]12CO[S@@](=O)OC[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Endosulfan I 959-98-8|Endosulfan I|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite, endo-|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (3a,5ab,6a,9a,9ab)-|a-Endosulfan-alpha|alpha-Benzoepin|alpha-Endosulfan|alpha-Thiodan|beta-Thionex|Endosulfan 1|Endosulfan A|Endosulfan a|Endosulphan I|Thiodan I|UNII-QY5Y9R7G0E|a-Benzoepin|a-Endosulfan|a-Thiodan|b-Thionex|12640-58-3|19595-59-6|29106-31-8|33213-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037539
ERPathway2016 ERPathway2016_266 Endosulfan I 959-98-8 DTXSID9037539 ER Pathway Model, Antagonist AC50 11.0589740947544 uM [H][C@]12CO[S@@](=O)OC[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Endosulfan I 959-98-8|Endosulfan I|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite, endo-|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (3a,5ab,6a,9a,9ab)-|a-Endosulfan-alpha|alpha-Benzoepin|alpha-Endosulfan|alpha-Thiodan|beta-Thionex|Endosulfan 1|Endosulfan A|Endosulfan a|Endosulphan I|Thiodan I|UNII-QY5Y9R7G0E|a-Benzoepin|a-Endosulfan|a-Thiodan|b-Thionex|12640-58-3|19595-59-6|29106-31-8|33213-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037539
ERPathway2016 ERPathway2016_266 Endosulfan I 959-98-8 DTXSID9037539 ER Pathway Model, Antagonist ACC 13.1566303298344 uM [H][C@]12CO[S@@](=O)OC[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Endosulfan I 959-98-8|Endosulfan I|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite, endo-|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (3a,5ab,6a,9a,9ab)-|a-Endosulfan-alpha|alpha-Benzoepin|alpha-Endosulfan|alpha-Thiodan|beta-Thionex|Endosulfan 1|Endosulfan A|Endosulfan a|Endosulphan I|Thiodan I|UNII-QY5Y9R7G0E|a-Benzoepin|a-Endosulfan|a-Thiodan|b-Thionex|12640-58-3|19595-59-6|29106-31-8|33213-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037539
ERPathway2016 ERPathway2016_266 Endosulfan I 959-98-8 DTXSID9037539 ER Pathway Model, Agonist Model Score 0.0619 Unitless [H][C@]12CO[S@@](=O)OC[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Endosulfan I 959-98-8|Endosulfan I|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite, endo-|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (3a,5ab,6a,9a,9ab)-|a-Endosulfan-alpha|alpha-Benzoepin|alpha-Endosulfan|alpha-Thiodan|beta-Thionex|Endosulfan 1|Endosulfan A|Endosulfan a|Endosulphan I|Thiodan I|UNII-QY5Y9R7G0E|a-Benzoepin|a-Endosulfan|a-Thiodan|b-Thionex|12640-58-3|19595-59-6|29106-31-8|33213-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037539
ERPathway2016 ERPathway2016_266 Endosulfan I 959-98-8 DTXSID9037539 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@]12CO[S@@](=O)OC[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Endosulfan I 959-98-8|Endosulfan I|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite, endo-|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (3a,5ab,6a,9a,9ab)-|a-Endosulfan-alpha|alpha-Benzoepin|alpha-Endosulfan|alpha-Thiodan|beta-Thionex|Endosulfan 1|Endosulfan A|Endosulfan a|Endosulphan I|Thiodan I|UNII-QY5Y9R7G0E|a-Benzoepin|a-Endosulfan|a-Thiodan|b-Thionex|12640-58-3|19595-59-6|29106-31-8|33213-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037539
ERPathway2016 ERPathway2016_266 Endosulfan I 959-98-8 DTXSID9037539 ER Pathway Model, Agonist Call Inactive Unitless [H][C@]12CO[S@@](=O)OC[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Endosulfan I 959-98-8|Endosulfan I|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite, endo-|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (3a,5ab,6a,9a,9ab)-|a-Endosulfan-alpha|alpha-Benzoepin|alpha-Endosulfan|alpha-Thiodan|beta-Thionex|Endosulfan 1|Endosulfan A|Endosulfan a|Endosulphan I|Thiodan I|UNII-QY5Y9R7G0E|a-Benzoepin|a-Endosulfan|a-Thiodan|b-Thionex|12640-58-3|19595-59-6|29106-31-8|33213-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037539
ERPathway2016 ERPathway2016_266 Endosulfan I 959-98-8 DTXSID9037539 ER Pathway Model, Antagonist Call Active Unitless [H][C@]12CO[S@@](=O)OC[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl Endosulfan I 959-98-8|Endosulfan I|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite, endo-|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (3a,5ab,6a,9a,9ab)-|a-Endosulfan-alpha|alpha-Benzoepin|alpha-Endosulfan|alpha-Thiodan|beta-Thionex|Endosulfan 1|Endosulfan A|Endosulfan a|Endosulphan I|Thiodan I|UNII-QY5Y9R7G0E|a-Benzoepin|a-Endosulfan|a-Thiodan|b-Thionex|12640-58-3|19595-59-6|29106-31-8|33213-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9037539
ARPathway2016 ARPathway2016_432 Endosulfan sulfate 1031-07-8 DTXSID3037541 True antagonist shift (Hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan sulfate 1031-07-8|Endosulfan sulfate|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfate|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfate|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro- 6,9-methano-2,4,3-benzodioxathiepin-3,3-dioxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3,6-dioxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3,3-dioxide|Benzoepin sulfate|Endosulfan cyclic sulfate|Endosulfan III|Endosulfate|Thiodan sulfate|6749-25-3|87695-43-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037541
ARPathway2016 ARPathway2016_432 Endosulfan sulfate 1031-07-8 DTXSID3037541 True antagonist shift (Hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan sulfate 1031-07-8|Endosulfan sulfate|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfate|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfate|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro- 6,9-methano-2,4,3-benzodioxathiepin-3,3-dioxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3,6-dioxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3,3-dioxide|Benzoepin sulfate|Endosulfan cyclic sulfate|Endosulfan III|Endosulfate|Thiodan sulfate|6749-25-3|87695-43-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037541
ARPathway2016 ARPathway2016_432 Endosulfan sulfate 1031-07-8 DTXSID3037541 True antagonist shift (Hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan sulfate 1031-07-8|Endosulfan sulfate|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfate|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfate|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro- 6,9-methano-2,4,3-benzodioxathiepin-3,3-dioxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3,6-dioxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3,3-dioxide|Benzoepin sulfate|Endosulfan cyclic sulfate|Endosulfan III|Endosulfate|Thiodan sulfate|6749-25-3|87695-43-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037541
ARPathway2016 ARPathway2016_432 Endosulfan sulfate 1031-07-8 DTXSID3037541 True antagonist shift (Hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Inactive Unitless ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan sulfate 1031-07-8|Endosulfan sulfate|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfate|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfate|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro- 6,9-methano-2,4,3-benzodioxathiepin-3,3-dioxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3,6-dioxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3,3-dioxide|Benzoepin sulfate|Endosulfan cyclic sulfate|Endosulfan III|Endosulfate|Thiodan sulfate|6749-25-3|87695-43-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037541
ERPathway2016 ERPathway2016_143 Endosulfan sulfate 1031-07-8 DTXSID3037541 A13 ER Pathway Model, Agonist AC50 14.560020249887 uM ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan sulfate 1031-07-8|Endosulfan sulfate|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfate|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfate|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro- 6,9-methano-2,4,3-benzodioxathiepin-3,3-dioxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3,6-dioxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3,3-dioxide|Benzoepin sulfate|Endosulfan cyclic sulfate|Endosulfan III|Endosulfate|Thiodan sulfate|6749-25-3|87695-43-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037541
ERPathway2016 ERPathway2016_143 Endosulfan sulfate 1031-07-8 DTXSID3037541 A13 ER Pathway Model, Agonist ACC 2.41884194906674 uM ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan sulfate 1031-07-8|Endosulfan sulfate|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfate|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfate|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro- 6,9-methano-2,4,3-benzodioxathiepin-3,3-dioxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3,6-dioxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3,3-dioxide|Benzoepin sulfate|Endosulfan cyclic sulfate|Endosulfan III|Endosulfate|Thiodan sulfate|6749-25-3|87695-43-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037541
ERPathway2016 ERPathway2016_143 Endosulfan sulfate 1031-07-8 DTXSID3037541 A13 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan sulfate 1031-07-8|Endosulfan sulfate|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfate|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfate|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro- 6,9-methano-2,4,3-benzodioxathiepin-3,3-dioxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3,6-dioxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3,3-dioxide|Benzoepin sulfate|Endosulfan cyclic sulfate|Endosulfan III|Endosulfate|Thiodan sulfate|6749-25-3|87695-43-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037541
ERPathway2016 ERPathway2016_143 Endosulfan sulfate 1031-07-8 DTXSID3037541 A13 ER Pathway Model, Antagonist Model Score 0.00235 Unitless ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan sulfate 1031-07-8|Endosulfan sulfate|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfate|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfate|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro- 6,9-methano-2,4,3-benzodioxathiepin-3,3-dioxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3,6-dioxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3,3-dioxide|Benzoepin sulfate|Endosulfan cyclic sulfate|Endosulfan III|Endosulfate|Thiodan sulfate|6749-25-3|87695-43-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037541
ERPathway2016 ERPathway2016_143 Endosulfan sulfate 1031-07-8 DTXSID3037541 A13 ER Pathway Model, Agonist Call Active Unitless ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan sulfate 1031-07-8|Endosulfan sulfate|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfate|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfate|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro- 6,9-methano-2,4,3-benzodioxathiepin-3,3-dioxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3,6-dioxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3,3-dioxide|Benzoepin sulfate|Endosulfan cyclic sulfate|Endosulfan III|Endosulfate|Thiodan sulfate|6749-25-3|87695-43-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037541
ERPathway2016 ERPathway2016_143 Endosulfan sulfate 1031-07-8 DTXSID3037541 A13 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl Endosulfan sulfate 1031-07-8|Endosulfan sulfate|1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfate|5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfate|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro- 6,9-methano-2,4,3-benzodioxathiepin-3,3-dioxide|6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3,6-dioxide|6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3,3-dioxide|Benzoepin sulfate|Endosulfan cyclic sulfate|Endosulfan III|Endosulfate|Thiodan sulfate|6749-25-3|87695-43-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037541
ARPathway2016 ARPathway2016_75 Endothal 145-73-3 DTXSID7024081 1.0 Antagonist AR Pathway Model, Agonist AC50 48.25114561 uM OC(=O)C1C2CCC(O2)C1C(O)=O Endothal 145-73-3|Endothal|1,2-Benzenedicarboxylic acid, hexahydro-3,6-endo-oxy-|1,2-Cyclohexanedicarboxylic acid, 3,6-endo-epoxy-|3,6-endo-Oxohexahydrophthalic acid|3,6-endo-Oxyphthalic acid hexahydro-|3,6-Endooxohexahydrophthalic acid|3,6-Endooxyphthalic acid, hexahydro-|3,6-Endoxohexahydrophthalic acid|3,6-Epoxycyclohexane-1,2-dicarboxylic acid|7-oxabicyclo(2,2,1)heptane-2,3-dicarboxylic acid|7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid|Aquathol|Aquathol Plus|Aquathol Plus Granular|Aquothol|Caswell No. 421|Des-i-cate|Endothal technical|Endothalic acid|Endothall|Endothall Turf Herbicide|Endothall Weed Killer|Endothallic acid|EPA Pesticide Chemical Code 038901|Herbon pennout|Hexahydro-3,6-endo-oxy-1,2-benzenedicarboxylic acid|Hexahydro-3,6-endooxyphthalic acid|Hydout|Hydrothal-191|Hydrothal-47|Hydrothol|NSC 112771|Phthalic acid, hexahydro-3,6-endo-oxy-|Tri-Endothal|349466-39-3|857020-72-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024081
ARPathway2016 ARPathway2016_75 Endothal 145-73-3 DTXSID7024081 1.0 Antagonist AR Pathway Model, Agonist ACC 29.6181417 uM OC(=O)C1C2CCC(O2)C1C(O)=O Endothal 145-73-3|Endothal|1,2-Benzenedicarboxylic acid, hexahydro-3,6-endo-oxy-|1,2-Cyclohexanedicarboxylic acid, 3,6-endo-epoxy-|3,6-endo-Oxohexahydrophthalic acid|3,6-endo-Oxyphthalic acid hexahydro-|3,6-Endooxohexahydrophthalic acid|3,6-Endooxyphthalic acid, hexahydro-|3,6-Endoxohexahydrophthalic acid|3,6-Epoxycyclohexane-1,2-dicarboxylic acid|7-oxabicyclo(2,2,1)heptane-2,3-dicarboxylic acid|7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid|Aquathol|Aquathol Plus|Aquathol Plus Granular|Aquothol|Caswell No. 421|Des-i-cate|Endothal technical|Endothalic acid|Endothall|Endothall Turf Herbicide|Endothall Weed Killer|Endothallic acid|EPA Pesticide Chemical Code 038901|Herbon pennout|Hexahydro-3,6-endo-oxy-1,2-benzenedicarboxylic acid|Hexahydro-3,6-endooxyphthalic acid|Hydout|Hydrothal-191|Hydrothal-47|Hydrothol|NSC 112771|Phthalic acid, hexahydro-3,6-endo-oxy-|Tri-Endothal|349466-39-3|857020-72-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024081
ARPathway2016 ARPathway2016_75 Endothal 145-73-3 DTXSID7024081 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0949 Unitless OC(=O)C1C2CCC(O2)C1C(O)=O Endothal 145-73-3|Endothal|1,2-Benzenedicarboxylic acid, hexahydro-3,6-endo-oxy-|1,2-Cyclohexanedicarboxylic acid, 3,6-endo-epoxy-|3,6-endo-Oxohexahydrophthalic acid|3,6-endo-Oxyphthalic acid hexahydro-|3,6-Endooxohexahydrophthalic acid|3,6-Endooxyphthalic acid, hexahydro-|3,6-Endoxohexahydrophthalic acid|3,6-Epoxycyclohexane-1,2-dicarboxylic acid|7-oxabicyclo(2,2,1)heptane-2,3-dicarboxylic acid|7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid|Aquathol|Aquathol Plus|Aquathol Plus Granular|Aquothol|Caswell No. 421|Des-i-cate|Endothal technical|Endothalic acid|Endothall|Endothall Turf Herbicide|Endothall Weed Killer|Endothallic acid|EPA Pesticide Chemical Code 038901|Herbon pennout|Hexahydro-3,6-endo-oxy-1,2-benzenedicarboxylic acid|Hexahydro-3,6-endooxyphthalic acid|Hydout|Hydrothal-191|Hydrothal-47|Hydrothol|NSC 112771|Phthalic acid, hexahydro-3,6-endo-oxy-|Tri-Endothal|349466-39-3|857020-72-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024081
ARPathway2016 ARPathway2016_75 Endothal 145-73-3 DTXSID7024081 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1C2CCC(O2)C1C(O)=O Endothal 145-73-3|Endothal|1,2-Benzenedicarboxylic acid, hexahydro-3,6-endo-oxy-|1,2-Cyclohexanedicarboxylic acid, 3,6-endo-epoxy-|3,6-endo-Oxohexahydrophthalic acid|3,6-endo-Oxyphthalic acid hexahydro-|3,6-Endooxohexahydrophthalic acid|3,6-Endooxyphthalic acid, hexahydro-|3,6-Endoxohexahydrophthalic acid|3,6-Epoxycyclohexane-1,2-dicarboxylic acid|7-oxabicyclo(2,2,1)heptane-2,3-dicarboxylic acid|7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid|Aquathol|Aquathol Plus|Aquathol Plus Granular|Aquothol|Caswell No. 421|Des-i-cate|Endothal technical|Endothalic acid|Endothall|Endothall Turf Herbicide|Endothall Weed Killer|Endothallic acid|EPA Pesticide Chemical Code 038901|Herbon pennout|Hexahydro-3,6-endo-oxy-1,2-benzenedicarboxylic acid|Hexahydro-3,6-endooxyphthalic acid|Hydout|Hydrothal-191|Hydrothal-47|Hydrothol|NSC 112771|Phthalic acid, hexahydro-3,6-endo-oxy-|Tri-Endothal|349466-39-3|857020-72-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024081
ARPathway2016 ARPathway2016_75 Endothal 145-73-3 DTXSID7024081 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC(=O)C1C2CCC(O2)C1C(O)=O Endothal 145-73-3|Endothal|1,2-Benzenedicarboxylic acid, hexahydro-3,6-endo-oxy-|1,2-Cyclohexanedicarboxylic acid, 3,6-endo-epoxy-|3,6-endo-Oxohexahydrophthalic acid|3,6-endo-Oxyphthalic acid hexahydro-|3,6-Endooxohexahydrophthalic acid|3,6-Endooxyphthalic acid, hexahydro-|3,6-Endoxohexahydrophthalic acid|3,6-Epoxycyclohexane-1,2-dicarboxylic acid|7-oxabicyclo(2,2,1)heptane-2,3-dicarboxylic acid|7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid|Aquathol|Aquathol Plus|Aquathol Plus Granular|Aquothol|Caswell No. 421|Des-i-cate|Endothal technical|Endothalic acid|Endothall|Endothall Turf Herbicide|Endothall Weed Killer|Endothallic acid|EPA Pesticide Chemical Code 038901|Herbon pennout|Hexahydro-3,6-endo-oxy-1,2-benzenedicarboxylic acid|Hexahydro-3,6-endooxyphthalic acid|Hydout|Hydrothal-191|Hydrothal-47|Hydrothol|NSC 112771|Phthalic acid, hexahydro-3,6-endo-oxy-|Tri-Endothal|349466-39-3|857020-72-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024081
ARPathway2016 ARPathway2016_75 Endothal 145-73-3 DTXSID7024081 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1C2CCC(O2)C1C(O)=O Endothal 145-73-3|Endothal|1,2-Benzenedicarboxylic acid, hexahydro-3,6-endo-oxy-|1,2-Cyclohexanedicarboxylic acid, 3,6-endo-epoxy-|3,6-endo-Oxohexahydrophthalic acid|3,6-endo-Oxyphthalic acid hexahydro-|3,6-Endooxohexahydrophthalic acid|3,6-Endooxyphthalic acid, hexahydro-|3,6-Endoxohexahydrophthalic acid|3,6-Epoxycyclohexane-1,2-dicarboxylic acid|7-oxabicyclo(2,2,1)heptane-2,3-dicarboxylic acid|7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid|Aquathol|Aquathol Plus|Aquathol Plus Granular|Aquothol|Caswell No. 421|Des-i-cate|Endothal technical|Endothalic acid|Endothall|Endothall Turf Herbicide|Endothall Weed Killer|Endothallic acid|EPA Pesticide Chemical Code 038901|Herbon pennout|Hexahydro-3,6-endo-oxy-1,2-benzenedicarboxylic acid|Hexahydro-3,6-endooxyphthalic acid|Hydout|Hydrothal-191|Hydrothal-47|Hydrothol|NSC 112771|Phthalic acid, hexahydro-3,6-endo-oxy-|Tri-Endothal|349466-39-3|857020-72-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024081
ERPathway2016 ERPathway2016_1028 Endothal 145-73-3 DTXSID7024081 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1C2CCC(O2)C1C(O)=O Endothal 145-73-3|Endothal|1,2-Benzenedicarboxylic acid, hexahydro-3,6-endo-oxy-|1,2-Cyclohexanedicarboxylic acid, 3,6-endo-epoxy-|3,6-endo-Oxohexahydrophthalic acid|3,6-endo-Oxyphthalic acid hexahydro-|3,6-Endooxohexahydrophthalic acid|3,6-Endooxyphthalic acid, hexahydro-|3,6-Endoxohexahydrophthalic acid|3,6-Epoxycyclohexane-1,2-dicarboxylic acid|7-oxabicyclo(2,2,1)heptane-2,3-dicarboxylic acid|7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid|Aquathol|Aquathol Plus|Aquathol Plus Granular|Aquothol|Caswell No. 421|Des-i-cate|Endothal technical|Endothalic acid|Endothall|Endothall Turf Herbicide|Endothall Weed Killer|Endothallic acid|EPA Pesticide Chemical Code 038901|Herbon pennout|Hexahydro-3,6-endo-oxy-1,2-benzenedicarboxylic acid|Hexahydro-3,6-endooxyphthalic acid|Hydout|Hydrothal-191|Hydrothal-47|Hydrothol|NSC 112771|Phthalic acid, hexahydro-3,6-endo-oxy-|Tri-Endothal|349466-39-3|857020-72-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024081
ERPathway2016 ERPathway2016_1028 Endothal 145-73-3 DTXSID7024081 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1C2CCC(O2)C1C(O)=O Endothal 145-73-3|Endothal|1,2-Benzenedicarboxylic acid, hexahydro-3,6-endo-oxy-|1,2-Cyclohexanedicarboxylic acid, 3,6-endo-epoxy-|3,6-endo-Oxohexahydrophthalic acid|3,6-endo-Oxyphthalic acid hexahydro-|3,6-Endooxohexahydrophthalic acid|3,6-Endooxyphthalic acid, hexahydro-|3,6-Endoxohexahydrophthalic acid|3,6-Epoxycyclohexane-1,2-dicarboxylic acid|7-oxabicyclo(2,2,1)heptane-2,3-dicarboxylic acid|7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid|Aquathol|Aquathol Plus|Aquathol Plus Granular|Aquothol|Caswell No. 421|Des-i-cate|Endothal technical|Endothalic acid|Endothall|Endothall Turf Herbicide|Endothall Weed Killer|Endothallic acid|EPA Pesticide Chemical Code 038901|Herbon pennout|Hexahydro-3,6-endo-oxy-1,2-benzenedicarboxylic acid|Hexahydro-3,6-endooxyphthalic acid|Hydout|Hydrothal-191|Hydrothal-47|Hydrothol|NSC 112771|Phthalic acid, hexahydro-3,6-endo-oxy-|Tri-Endothal|349466-39-3|857020-72-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024081
ERPathway2016 ERPathway2016_1028 Endothal 145-73-3 DTXSID7024081 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1C2CCC(O2)C1C(O)=O Endothal 145-73-3|Endothal|1,2-Benzenedicarboxylic acid, hexahydro-3,6-endo-oxy-|1,2-Cyclohexanedicarboxylic acid, 3,6-endo-epoxy-|3,6-endo-Oxohexahydrophthalic acid|3,6-endo-Oxyphthalic acid hexahydro-|3,6-Endooxohexahydrophthalic acid|3,6-Endooxyphthalic acid, hexahydro-|3,6-Endoxohexahydrophthalic acid|3,6-Epoxycyclohexane-1,2-dicarboxylic acid|7-oxabicyclo(2,2,1)heptane-2,3-dicarboxylic acid|7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid|Aquathol|Aquathol Plus|Aquathol Plus Granular|Aquothol|Caswell No. 421|Des-i-cate|Endothal technical|Endothalic acid|Endothall|Endothall Turf Herbicide|Endothall Weed Killer|Endothallic acid|EPA Pesticide Chemical Code 038901|Herbon pennout|Hexahydro-3,6-endo-oxy-1,2-benzenedicarboxylic acid|Hexahydro-3,6-endooxyphthalic acid|Hydout|Hydrothal-191|Hydrothal-47|Hydrothol|NSC 112771|Phthalic acid, hexahydro-3,6-endo-oxy-|Tri-Endothal|349466-39-3|857020-72-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024081
ERPathway2016 ERPathway2016_1028 Endothal 145-73-3 DTXSID7024081 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1C2CCC(O2)C1C(O)=O Endothal 145-73-3|Endothal|1,2-Benzenedicarboxylic acid, hexahydro-3,6-endo-oxy-|1,2-Cyclohexanedicarboxylic acid, 3,6-endo-epoxy-|3,6-endo-Oxohexahydrophthalic acid|3,6-endo-Oxyphthalic acid hexahydro-|3,6-Endooxohexahydrophthalic acid|3,6-Endooxyphthalic acid, hexahydro-|3,6-Endoxohexahydrophthalic acid|3,6-Epoxycyclohexane-1,2-dicarboxylic acid|7-oxabicyclo(2,2,1)heptane-2,3-dicarboxylic acid|7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid|Aquathol|Aquathol Plus|Aquathol Plus Granular|Aquothol|Caswell No. 421|Des-i-cate|Endothal technical|Endothalic acid|Endothall|Endothall Turf Herbicide|Endothall Weed Killer|Endothallic acid|EPA Pesticide Chemical Code 038901|Herbon pennout|Hexahydro-3,6-endo-oxy-1,2-benzenedicarboxylic acid|Hexahydro-3,6-endooxyphthalic acid|Hydout|Hydrothal-191|Hydrothal-47|Hydrothol|NSC 112771|Phthalic acid, hexahydro-3,6-endo-oxy-|Tri-Endothal|349466-39-3|857020-72-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024081
ARPathway2016 ARPathway2016_1515 Endrin 72-20-8 DTXSID6020561 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@]2([H])[C@@]1([H])[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl Endrin 72-20-8|Endrin|(1aalpha,2beta,2abeta,3alpha,6alpha,6abeta,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1R,4S,4aS,5S,6S,7R,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5S,6,7R,8R,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-endo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-endo-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo, endo-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo,endo-1,4:5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,endo-|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aR,3R,6S,6aS,7S,7aS)-rel-|2,7:3,6-Dime|1195294-62-2|12715-94-5|18466-93-8|25320-73-4|8072-14-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020561 https://doi.org/10.22427/NTP-DATA-DTXSID6020561
ARPathway2016 ARPathway2016_1515 Endrin 72-20-8 DTXSID6020561 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@]2([H])[C@@]1([H])[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl Endrin 72-20-8|Endrin|(1aalpha,2beta,2abeta,3alpha,6alpha,6abeta,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1R,4S,4aS,5S,6S,7R,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5S,6,7R,8R,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-endo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-endo-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo, endo-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo,endo-1,4:5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,endo-|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aR,3R,6S,6aS,7S,7aS)-rel-|2,7:3,6-Dime|1195294-62-2|12715-94-5|18466-93-8|25320-73-4|8072-14-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020561 https://doi.org/10.22427/NTP-DATA-DTXSID6020561
ARPathway2016 ARPathway2016_1515 Endrin 72-20-8 DTXSID6020561 0.0 AR Pathway Model, Agonist Call Inactive Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@]2([H])[C@@]1([H])[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl Endrin 72-20-8|Endrin|(1aalpha,2beta,2abeta,3alpha,6alpha,6abeta,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1R,4S,4aS,5S,6S,7R,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5S,6,7R,8R,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-endo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-endo-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo, endo-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo,endo-1,4:5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,endo-|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aR,3R,6S,6aS,7S,7aS)-rel-|2,7:3,6-Dime|1195294-62-2|12715-94-5|18466-93-8|25320-73-4|8072-14-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020561 https://doi.org/10.22427/NTP-DATA-DTXSID6020561
ARPathway2016 ARPathway2016_1515 Endrin 72-20-8 DTXSID6020561 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@]2([H])[C@@]1([H])[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl Endrin 72-20-8|Endrin|(1aalpha,2beta,2abeta,3alpha,6alpha,6abeta,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1R,4S,4aS,5S,6S,7R,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5S,6,7R,8R,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-endo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-endo-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo, endo-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo,endo-1,4:5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,endo-|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aR,3R,6S,6aS,7S,7aS)-rel-|2,7:3,6-Dime|1195294-62-2|12715-94-5|18466-93-8|25320-73-4|8072-14-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020561 https://doi.org/10.22427/NTP-DATA-DTXSID6020561
ERPathway2016 ERPathway2016_735 Endrin 72-20-8 DTXSID6020561 R6 ER Pathway Model, Agonist Model Score 0 Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@]2([H])[C@@]1([H])[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl Endrin 72-20-8|Endrin|(1aalpha,2beta,2abeta,3alpha,6alpha,6abeta,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1R,4S,4aS,5S,6S,7R,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5S,6,7R,8R,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-endo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-endo-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo, endo-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo,endo-1,4:5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,endo-|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aR,3R,6S,6aS,7S,7aS)-rel-|2,7:3,6-Dime|1195294-62-2|12715-94-5|18466-93-8|25320-73-4|8072-14-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020561 https://doi.org/10.22427/NTP-DATA-DTXSID6020561
ERPathway2016 ERPathway2016_735 Endrin 72-20-8 DTXSID6020561 R6 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@]2([H])[C@@]1([H])[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl Endrin 72-20-8|Endrin|(1aalpha,2beta,2abeta,3alpha,6alpha,6abeta,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1R,4S,4aS,5S,6S,7R,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5S,6,7R,8R,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-endo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-endo-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo, endo-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo,endo-1,4:5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,endo-|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aR,3R,6S,6aS,7S,7aS)-rel-|2,7:3,6-Dime|1195294-62-2|12715-94-5|18466-93-8|25320-73-4|8072-14-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020561 https://doi.org/10.22427/NTP-DATA-DTXSID6020561
ERPathway2016 ERPathway2016_735 Endrin 72-20-8 DTXSID6020561 R6 ER Pathway Model, Agonist Call Inactive Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@]2([H])[C@@]1([H])[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl Endrin 72-20-8|Endrin|(1aalpha,2beta,2abeta,3alpha,6alpha,6abeta,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1R,4S,4aS,5S,6S,7R,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5S,6,7R,8R,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-endo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-endo-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo, endo-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo,endo-1,4:5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,endo-|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aR,3R,6S,6aS,7S,7aS)-rel-|2,7:3,6-Dime|1195294-62-2|12715-94-5|18466-93-8|25320-73-4|8072-14-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020561 https://doi.org/10.22427/NTP-DATA-DTXSID6020561
ERPathway2016 ERPathway2016_735 Endrin 72-20-8 DTXSID6020561 R6 ER Pathway Model, Antagonist Call Inactive Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])[C@]2([H])[C@@]1([H])[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl Endrin 72-20-8|Endrin|(1aalpha,2beta,2abeta,3alpha,6alpha,6abeta,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene|(1R,4S,4aS,5S,6S,7R,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5S,6,7R,8R,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-endo-5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-endo-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo, endo-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo,endo-1,4:5,8-dimethanonaphthalene|1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,endo-|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aR,3R,6S,6aS,7S,7aS)-rel-|2,7:3,6-Dime|1195294-62-2|12715-94-5|18466-93-8|25320-73-4|8072-14-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020561 https://doi.org/10.22427/NTP-DATA-DTXSID6020561
ARPathway2016 ARPathway2016_90 Eosin 17372-87-1 DTXSID0025234 2.0 Antagonist AR Pathway Model, Agonist AC50 22.10533985 uM [Na+].[Na+].[O-]C1=C(Br)C2=C(C=C1Br)C1(OC(=O)C3=C1C=CC=C3)C1=CC(Br)=C([O-])C(Br)=C1O2 Eosin 17372-87-1|Eosin|1903 Yellow Pink|2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanten-9-il)benzoato de disodio|2-(2,4,5,7-Tetrabromo-6-oxydo-3-oxoxanthen-9-yl)benzoate de disodium|2-(2,4,5,7-tetrabromo-6-oxydo-3-oxoxanthene-9-yl)benzoate de disodium|2,4,5,7-Tetrabromofluorescein|2',4',5',7'-Tetrabromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9-'-(9H)xanthen)-3-one, disodium salt|2',4',5',7'-Tetrabromofluorescein disodium salt|Abbey Eosin|ABCO Eosin|Acid Red 87|Acid Red 87-39014|Aizen Eosine|Aizen Eosine GH|Basacid Red 316|Bromo acid|Bromo B|Bromo FL|Bromo JPS|Bromo TS|Bromo X 100|Bromo XX|Bromoeosine|Bromofluoresceic acid|Bromofluorescein|Bronze Bromo|C.I. 45380|C.I. acid red 087|C.I. Acid Red 87|C.L. Acid Red 87|Certiqual Eosine|Cerven kysela 87|Chugai Ink Red AM 5|CI 45380|CI 45380 (Na salt)|Cogilor Orange 212.10|Conacid Red ML|D and C Red No. 22|D&C Red No. 22|D&C Red No. 22-90133|Daiwa Red 103WB|Dawn red|Dinacid Eosine Red|Dinatrium-2-(2,4,5,7-tetrabrom-6-oxido-3-oxoxanthen-9-yl)benzoat|disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxox|122199-14-8|12777-83-2|1340-15-4|198831-98-0|37361-24-3|528838-89-3|56588-87-5|658700-91-5|84932-33-2|95917-83-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025234 https://doi.org/10.22427/NTP-DATA-DTXSID0025234
ARPathway2016 ARPathway2016_90 Eosin 17372-87-1 DTXSID0025234 2.0 Antagonist AR Pathway Model, Agonist ACC 27.90394502 uM [Na+].[Na+].[O-]C1=C(Br)C2=C(C=C1Br)C1(OC(=O)C3=C1C=CC=C3)C1=CC(Br)=C([O-])C(Br)=C1O2 Eosin 17372-87-1|Eosin|1903 Yellow Pink|2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanten-9-il)benzoato de disodio|2-(2,4,5,7-Tetrabromo-6-oxydo-3-oxoxanthen-9-yl)benzoate de disodium|2-(2,4,5,7-tetrabromo-6-oxydo-3-oxoxanthene-9-yl)benzoate de disodium|2,4,5,7-Tetrabromofluorescein|2',4',5',7'-Tetrabromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9-'-(9H)xanthen)-3-one, disodium salt|2',4',5',7'-Tetrabromofluorescein disodium salt|Abbey Eosin|ABCO Eosin|Acid Red 87|Acid Red 87-39014|Aizen Eosine|Aizen Eosine GH|Basacid Red 316|Bromo acid|Bromo B|Bromo FL|Bromo JPS|Bromo TS|Bromo X 100|Bromo XX|Bromoeosine|Bromofluoresceic acid|Bromofluorescein|Bronze Bromo|C.I. 45380|C.I. acid red 087|C.I. Acid Red 87|C.L. Acid Red 87|Certiqual Eosine|Cerven kysela 87|Chugai Ink Red AM 5|CI 45380|CI 45380 (Na salt)|Cogilor Orange 212.10|Conacid Red ML|D and C Red No. 22|D&C Red No. 22|D&C Red No. 22-90133|Daiwa Red 103WB|Dawn red|Dinacid Eosine Red|Dinatrium-2-(2,4,5,7-tetrabrom-6-oxido-3-oxoxanthen-9-yl)benzoat|disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxox|122199-14-8|12777-83-2|1340-15-4|198831-98-0|37361-24-3|528838-89-3|56588-87-5|658700-91-5|84932-33-2|95917-83-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025234 https://doi.org/10.22427/NTP-DATA-DTXSID0025234
ARPathway2016 ARPathway2016_90 Eosin 17372-87-1 DTXSID0025234 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.169 Unitless [Na+].[Na+].[O-]C1=C(Br)C2=C(C=C1Br)C1(OC(=O)C3=C1C=CC=C3)C1=CC(Br)=C([O-])C(Br)=C1O2 Eosin 17372-87-1|Eosin|1903 Yellow Pink|2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanten-9-il)benzoato de disodio|2-(2,4,5,7-Tetrabromo-6-oxydo-3-oxoxanthen-9-yl)benzoate de disodium|2-(2,4,5,7-tetrabromo-6-oxydo-3-oxoxanthene-9-yl)benzoate de disodium|2,4,5,7-Tetrabromofluorescein|2',4',5',7'-Tetrabromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9-'-(9H)xanthen)-3-one, disodium salt|2',4',5',7'-Tetrabromofluorescein disodium salt|Abbey Eosin|ABCO Eosin|Acid Red 87|Acid Red 87-39014|Aizen Eosine|Aizen Eosine GH|Basacid Red 316|Bromo acid|Bromo B|Bromo FL|Bromo JPS|Bromo TS|Bromo X 100|Bromo XX|Bromoeosine|Bromofluoresceic acid|Bromofluorescein|Bronze Bromo|C.I. 45380|C.I. acid red 087|C.I. Acid Red 87|C.L. Acid Red 87|Certiqual Eosine|Cerven kysela 87|Chugai Ink Red AM 5|CI 45380|CI 45380 (Na salt)|Cogilor Orange 212.10|Conacid Red ML|D and C Red No. 22|D&C Red No. 22|D&C Red No. 22-90133|Daiwa Red 103WB|Dawn red|Dinacid Eosine Red|Dinatrium-2-(2,4,5,7-tetrabrom-6-oxido-3-oxoxanthen-9-yl)benzoat|disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxox|122199-14-8|12777-83-2|1340-15-4|198831-98-0|37361-24-3|528838-89-3|56588-87-5|658700-91-5|84932-33-2|95917-83-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025234 https://doi.org/10.22427/NTP-DATA-DTXSID0025234
ARPathway2016 ARPathway2016_90 Eosin 17372-87-1 DTXSID0025234 2.0 Antagonist AR Pathway Model, Agonist Model Score 0.0465 Unitless [Na+].[Na+].[O-]C1=C(Br)C2=C(C=C1Br)C1(OC(=O)C3=C1C=CC=C3)C1=CC(Br)=C([O-])C(Br)=C1O2 Eosin 17372-87-1|Eosin|1903 Yellow Pink|2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanten-9-il)benzoato de disodio|2-(2,4,5,7-Tetrabromo-6-oxydo-3-oxoxanthen-9-yl)benzoate de disodium|2-(2,4,5,7-tetrabromo-6-oxydo-3-oxoxanthene-9-yl)benzoate de disodium|2,4,5,7-Tetrabromofluorescein|2',4',5',7'-Tetrabromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9-'-(9H)xanthen)-3-one, disodium salt|2',4',5',7'-Tetrabromofluorescein disodium salt|Abbey Eosin|ABCO Eosin|Acid Red 87|Acid Red 87-39014|Aizen Eosine|Aizen Eosine GH|Basacid Red 316|Bromo acid|Bromo B|Bromo FL|Bromo JPS|Bromo TS|Bromo X 100|Bromo XX|Bromoeosine|Bromofluoresceic acid|Bromofluorescein|Bronze Bromo|C.I. 45380|C.I. acid red 087|C.I. Acid Red 87|C.L. Acid Red 87|Certiqual Eosine|Cerven kysela 87|Chugai Ink Red AM 5|CI 45380|CI 45380 (Na salt)|Cogilor Orange 212.10|Conacid Red ML|D and C Red No. 22|D&C Red No. 22|D&C Red No. 22-90133|Daiwa Red 103WB|Dawn red|Dinacid Eosine Red|Dinatrium-2-(2,4,5,7-tetrabrom-6-oxido-3-oxoxanthen-9-yl)benzoat|disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxox|122199-14-8|12777-83-2|1340-15-4|198831-98-0|37361-24-3|528838-89-3|56588-87-5|658700-91-5|84932-33-2|95917-83-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025234 https://doi.org/10.22427/NTP-DATA-DTXSID0025234
ARPathway2016 ARPathway2016_90 Eosin 17372-87-1 DTXSID0025234 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Na+].[Na+].[O-]C1=C(Br)C2=C(C=C1Br)C1(OC(=O)C3=C1C=CC=C3)C1=CC(Br)=C([O-])C(Br)=C1O2 Eosin 17372-87-1|Eosin|1903 Yellow Pink|2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanten-9-il)benzoato de disodio|2-(2,4,5,7-Tetrabromo-6-oxydo-3-oxoxanthen-9-yl)benzoate de disodium|2-(2,4,5,7-tetrabromo-6-oxydo-3-oxoxanthene-9-yl)benzoate de disodium|2,4,5,7-Tetrabromofluorescein|2',4',5',7'-Tetrabromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9-'-(9H)xanthen)-3-one, disodium salt|2',4',5',7'-Tetrabromofluorescein disodium salt|Abbey Eosin|ABCO Eosin|Acid Red 87|Acid Red 87-39014|Aizen Eosine|Aizen Eosine GH|Basacid Red 316|Bromo acid|Bromo B|Bromo FL|Bromo JPS|Bromo TS|Bromo X 100|Bromo XX|Bromoeosine|Bromofluoresceic acid|Bromofluorescein|Bronze Bromo|C.I. 45380|C.I. acid red 087|C.I. Acid Red 87|C.L. Acid Red 87|Certiqual Eosine|Cerven kysela 87|Chugai Ink Red AM 5|CI 45380|CI 45380 (Na salt)|Cogilor Orange 212.10|Conacid Red ML|D and C Red No. 22|D&C Red No. 22|D&C Red No. 22-90133|Daiwa Red 103WB|Dawn red|Dinacid Eosine Red|Dinatrium-2-(2,4,5,7-tetrabrom-6-oxido-3-oxoxanthen-9-yl)benzoat|disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxox|122199-14-8|12777-83-2|1340-15-4|198831-98-0|37361-24-3|528838-89-3|56588-87-5|658700-91-5|84932-33-2|95917-83-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025234 https://doi.org/10.22427/NTP-DATA-DTXSID0025234
ARPathway2016 ARPathway2016_90 Eosin 17372-87-1 DTXSID0025234 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].[O-]C1=C(Br)C2=C(C=C1Br)C1(OC(=O)C3=C1C=CC=C3)C1=CC(Br)=C([O-])C(Br)=C1O2 Eosin 17372-87-1|Eosin|1903 Yellow Pink|2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanten-9-il)benzoato de disodio|2-(2,4,5,7-Tetrabromo-6-oxydo-3-oxoxanthen-9-yl)benzoate de disodium|2-(2,4,5,7-tetrabromo-6-oxydo-3-oxoxanthene-9-yl)benzoate de disodium|2,4,5,7-Tetrabromofluorescein|2',4',5',7'-Tetrabromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9-'-(9H)xanthen)-3-one, disodium salt|2',4',5',7'-Tetrabromofluorescein disodium salt|Abbey Eosin|ABCO Eosin|Acid Red 87|Acid Red 87-39014|Aizen Eosine|Aizen Eosine GH|Basacid Red 316|Bromo acid|Bromo B|Bromo FL|Bromo JPS|Bromo TS|Bromo X 100|Bromo XX|Bromoeosine|Bromofluoresceic acid|Bromofluorescein|Bronze Bromo|C.I. 45380|C.I. acid red 087|C.I. Acid Red 87|C.L. Acid Red 87|Certiqual Eosine|Cerven kysela 87|Chugai Ink Red AM 5|CI 45380|CI 45380 (Na salt)|Cogilor Orange 212.10|Conacid Red ML|D and C Red No. 22|D&C Red No. 22|D&C Red No. 22-90133|Daiwa Red 103WB|Dawn red|Dinacid Eosine Red|Dinatrium-2-(2,4,5,7-tetrabrom-6-oxido-3-oxoxanthen-9-yl)benzoat|disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxox|122199-14-8|12777-83-2|1340-15-4|198831-98-0|37361-24-3|528838-89-3|56588-87-5|658700-91-5|84932-33-2|95917-83-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025234 https://doi.org/10.22427/NTP-DATA-DTXSID0025234
ERPathway2016 ERPathway2016_606 Eosin 17372-87-1 DTXSID0025234 A17 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].[O-]C1=C(Br)C2=C(C=C1Br)C1(OC(=O)C3=C1C=CC=C3)C1=CC(Br)=C([O-])C(Br)=C1O2 Eosin 17372-87-1|Eosin|1903 Yellow Pink|2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanten-9-il)benzoato de disodio|2-(2,4,5,7-Tetrabromo-6-oxydo-3-oxoxanthen-9-yl)benzoate de disodium|2-(2,4,5,7-tetrabromo-6-oxydo-3-oxoxanthene-9-yl)benzoate de disodium|2,4,5,7-Tetrabromofluorescein|2',4',5',7'-Tetrabromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9-'-(9H)xanthen)-3-one, disodium salt|2',4',5',7'-Tetrabromofluorescein disodium salt|Abbey Eosin|ABCO Eosin|Acid Red 87|Acid Red 87-39014|Aizen Eosine|Aizen Eosine GH|Basacid Red 316|Bromo acid|Bromo B|Bromo FL|Bromo JPS|Bromo TS|Bromo X 100|Bromo XX|Bromoeosine|Bromofluoresceic acid|Bromofluorescein|Bronze Bromo|C.I. 45380|C.I. acid red 087|C.I. Acid Red 87|C.L. Acid Red 87|Certiqual Eosine|Cerven kysela 87|Chugai Ink Red AM 5|CI 45380|CI 45380 (Na salt)|Cogilor Orange 212.10|Conacid Red ML|D and C Red No. 22|D&C Red No. 22|D&C Red No. 22-90133|Daiwa Red 103WB|Dawn red|Dinacid Eosine Red|Dinatrium-2-(2,4,5,7-tetrabrom-6-oxido-3-oxoxanthen-9-yl)benzoat|disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxox|122199-14-8|12777-83-2|1340-15-4|198831-98-0|37361-24-3|528838-89-3|56588-87-5|658700-91-5|84932-33-2|95917-83-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025234 https://doi.org/10.22427/NTP-DATA-DTXSID0025234
ERPathway2016 ERPathway2016_606 Eosin 17372-87-1 DTXSID0025234 A17 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].[O-]C1=C(Br)C2=C(C=C1Br)C1(OC(=O)C3=C1C=CC=C3)C1=CC(Br)=C([O-])C(Br)=C1O2 Eosin 17372-87-1|Eosin|1903 Yellow Pink|2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanten-9-il)benzoato de disodio|2-(2,4,5,7-Tetrabromo-6-oxydo-3-oxoxanthen-9-yl)benzoate de disodium|2-(2,4,5,7-tetrabromo-6-oxydo-3-oxoxanthene-9-yl)benzoate de disodium|2,4,5,7-Tetrabromofluorescein|2',4',5',7'-Tetrabromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9-'-(9H)xanthen)-3-one, disodium salt|2',4',5',7'-Tetrabromofluorescein disodium salt|Abbey Eosin|ABCO Eosin|Acid Red 87|Acid Red 87-39014|Aizen Eosine|Aizen Eosine GH|Basacid Red 316|Bromo acid|Bromo B|Bromo FL|Bromo JPS|Bromo TS|Bromo X 100|Bromo XX|Bromoeosine|Bromofluoresceic acid|Bromofluorescein|Bronze Bromo|C.I. 45380|C.I. acid red 087|C.I. Acid Red 87|C.L. Acid Red 87|Certiqual Eosine|Cerven kysela 87|Chugai Ink Red AM 5|CI 45380|CI 45380 (Na salt)|Cogilor Orange 212.10|Conacid Red ML|D and C Red No. 22|D&C Red No. 22|D&C Red No. 22-90133|Daiwa Red 103WB|Dawn red|Dinacid Eosine Red|Dinatrium-2-(2,4,5,7-tetrabrom-6-oxido-3-oxoxanthen-9-yl)benzoat|disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxox|122199-14-8|12777-83-2|1340-15-4|198831-98-0|37361-24-3|528838-89-3|56588-87-5|658700-91-5|84932-33-2|95917-83-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025234 https://doi.org/10.22427/NTP-DATA-DTXSID0025234
ERPathway2016 ERPathway2016_606 Eosin 17372-87-1 DTXSID0025234 A17 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].[O-]C1=C(Br)C2=C(C=C1Br)C1(OC(=O)C3=C1C=CC=C3)C1=CC(Br)=C([O-])C(Br)=C1O2 Eosin 17372-87-1|Eosin|1903 Yellow Pink|2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanten-9-il)benzoato de disodio|2-(2,4,5,7-Tetrabromo-6-oxydo-3-oxoxanthen-9-yl)benzoate de disodium|2-(2,4,5,7-tetrabromo-6-oxydo-3-oxoxanthene-9-yl)benzoate de disodium|2,4,5,7-Tetrabromofluorescein|2',4',5',7'-Tetrabromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9-'-(9H)xanthen)-3-one, disodium salt|2',4',5',7'-Tetrabromofluorescein disodium salt|Abbey Eosin|ABCO Eosin|Acid Red 87|Acid Red 87-39014|Aizen Eosine|Aizen Eosine GH|Basacid Red 316|Bromo acid|Bromo B|Bromo FL|Bromo JPS|Bromo TS|Bromo X 100|Bromo XX|Bromoeosine|Bromofluoresceic acid|Bromofluorescein|Bronze Bromo|C.I. 45380|C.I. acid red 087|C.I. Acid Red 87|C.L. Acid Red 87|Certiqual Eosine|Cerven kysela 87|Chugai Ink Red AM 5|CI 45380|CI 45380 (Na salt)|Cogilor Orange 212.10|Conacid Red ML|D and C Red No. 22|D&C Red No. 22|D&C Red No. 22-90133|Daiwa Red 103WB|Dawn red|Dinacid Eosine Red|Dinatrium-2-(2,4,5,7-tetrabrom-6-oxido-3-oxoxanthen-9-yl)benzoat|disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxox|122199-14-8|12777-83-2|1340-15-4|198831-98-0|37361-24-3|528838-89-3|56588-87-5|658700-91-5|84932-33-2|95917-83-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025234 https://doi.org/10.22427/NTP-DATA-DTXSID0025234
ERPathway2016 ERPathway2016_606 Eosin 17372-87-1 DTXSID0025234 A17 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].[O-]C1=C(Br)C2=C(C=C1Br)C1(OC(=O)C3=C1C=CC=C3)C1=CC(Br)=C([O-])C(Br)=C1O2 Eosin 17372-87-1|Eosin|1903 Yellow Pink|2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanten-9-il)benzoato de disodio|2-(2,4,5,7-Tetrabromo-6-oxydo-3-oxoxanthen-9-yl)benzoate de disodium|2-(2,4,5,7-tetrabromo-6-oxydo-3-oxoxanthene-9-yl)benzoate de disodium|2,4,5,7-Tetrabromofluorescein|2',4',5',7'-Tetrabromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9-'-(9H)xanthen)-3-one, disodium salt|2',4',5',7'-Tetrabromofluorescein disodium salt|Abbey Eosin|ABCO Eosin|Acid Red 87|Acid Red 87-39014|Aizen Eosine|Aizen Eosine GH|Basacid Red 316|Bromo acid|Bromo B|Bromo FL|Bromo JPS|Bromo TS|Bromo X 100|Bromo XX|Bromoeosine|Bromofluoresceic acid|Bromofluorescein|Bronze Bromo|C.I. 45380|C.I. acid red 087|C.I. Acid Red 87|C.L. Acid Red 87|Certiqual Eosine|Cerven kysela 87|Chugai Ink Red AM 5|CI 45380|CI 45380 (Na salt)|Cogilor Orange 212.10|Conacid Red ML|D and C Red No. 22|D&C Red No. 22|D&C Red No. 22-90133|Daiwa Red 103WB|Dawn red|Dinacid Eosine Red|Dinatrium-2-(2,4,5,7-tetrabrom-6-oxido-3-oxoxanthen-9-yl)benzoat|disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxox|122199-14-8|12777-83-2|1340-15-4|198831-98-0|37361-24-3|528838-89-3|56588-87-5|658700-91-5|84932-33-2|95917-83-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025234 https://doi.org/10.22427/NTP-DATA-DTXSID0025234
ARPathway2016 ARPathway2016_61 Epoxiconazole 133855-98-8 DTXSID1040372 FLAG: Antagonist shift, but CI overlap 3.0 R7 AR Pathway Model, Agonist AC50 59.93461674 uM FC1=CC=C(C=C1)[C@@]1(CN2C=NC=N2)O[C@@H]1C1=C(Cl)C=CC=C1 Epoxiconazole 133855-98-8|Epoxiconazole|(2RS,35R)-1-(3-(2-Chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole|1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole cis-(+-)-|1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1-{[(2S,3R)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, cis-(+/-)-|406-850-2|BAS 480F|EC No.: 406-850-2|Epoxiconazol|epoxiconazole|Opal|Opal (fungicide)|Opal 7.5 EC|Opus|rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole|106325-08-0|205862-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040372
ARPathway2016 ARPathway2016_61 Epoxiconazole 133855-98-8 DTXSID1040372 FLAG: Antagonist shift, but CI overlap 3.0 R7 AR Pathway Model, Agonist ACC 70.44147033 uM FC1=CC=C(C=C1)[C@@]1(CN2C=NC=N2)O[C@@H]1C1=C(Cl)C=CC=C1 Epoxiconazole 133855-98-8|Epoxiconazole|(2RS,35R)-1-(3-(2-Chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole|1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole cis-(+-)-|1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1-{[(2S,3R)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, cis-(+/-)-|406-850-2|BAS 480F|EC No.: 406-850-2|Epoxiconazol|epoxiconazole|Opal|Opal (fungicide)|Opal 7.5 EC|Opus|rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole|106325-08-0|205862-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040372
ARPathway2016 ARPathway2016_61 Epoxiconazole 133855-98-8 DTXSID1040372 FLAG: Antagonist shift, but CI overlap 3.0 R7 AR Pathway Model, Antagonist Model Score 0.0233 Unitless FC1=CC=C(C=C1)[C@@]1(CN2C=NC=N2)O[C@@H]1C1=C(Cl)C=CC=C1 Epoxiconazole 133855-98-8|Epoxiconazole|(2RS,35R)-1-(3-(2-Chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole|1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole cis-(+-)-|1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1-{[(2S,3R)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, cis-(+/-)-|406-850-2|BAS 480F|EC No.: 406-850-2|Epoxiconazol|epoxiconazole|Opal|Opal (fungicide)|Opal 7.5 EC|Opus|rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole|106325-08-0|205862-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040372
ARPathway2016 ARPathway2016_61 Epoxiconazole 133855-98-8 DTXSID1040372 FLAG: Antagonist shift, but CI overlap 3.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless FC1=CC=C(C=C1)[C@@]1(CN2C=NC=N2)O[C@@H]1C1=C(Cl)C=CC=C1 Epoxiconazole 133855-98-8|Epoxiconazole|(2RS,35R)-1-(3-(2-Chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole|1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole cis-(+-)-|1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1-{[(2S,3R)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, cis-(+/-)-|406-850-2|BAS 480F|EC No.: 406-850-2|Epoxiconazol|epoxiconazole|Opal|Opal (fungicide)|Opal 7.5 EC|Opus|rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole|106325-08-0|205862-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040372
ARPathway2016 ARPathway2016_61 Epoxiconazole 133855-98-8 DTXSID1040372 FLAG: Antagonist shift, but CI overlap 3.0 R7 AR Pathway Model, Agonist Call Active Unitless FC1=CC=C(C=C1)[C@@]1(CN2C=NC=N2)O[C@@H]1C1=C(Cl)C=CC=C1 Epoxiconazole 133855-98-8|Epoxiconazole|(2RS,35R)-1-(3-(2-Chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole|1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole cis-(+-)-|1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1-{[(2S,3R)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, cis-(+/-)-|406-850-2|BAS 480F|EC No.: 406-850-2|Epoxiconazol|epoxiconazole|Opal|Opal (fungicide)|Opal 7.5 EC|Opus|rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole|106325-08-0|205862-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040372
ARPathway2016 ARPathway2016_61 Epoxiconazole 133855-98-8 DTXSID1040372 FLAG: Antagonist shift, but CI overlap 3.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless FC1=CC=C(C=C1)[C@@]1(CN2C=NC=N2)O[C@@H]1C1=C(Cl)C=CC=C1 Epoxiconazole 133855-98-8|Epoxiconazole|(2RS,35R)-1-(3-(2-Chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole|1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole cis-(+-)-|1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1-{[(2S,3R)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, cis-(+/-)-|406-850-2|BAS 480F|EC No.: 406-850-2|Epoxiconazol|epoxiconazole|Opal|Opal (fungicide)|Opal 7.5 EC|Opus|rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole|106325-08-0|205862-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040372
ERPathway2016 ERPathway2016_112 Epoxiconazole 133855-98-8 DTXSID1040372 ER Pathway Model, Agonist AC50 20.7738833257977 uM FC1=CC=C(C=C1)[C@@]1(CN2C=NC=N2)O[C@@H]1C1=C(Cl)C=CC=C1 Epoxiconazole 133855-98-8|Epoxiconazole|(2RS,35R)-1-(3-(2-Chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole|1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole cis-(+-)-|1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1-{[(2S,3R)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, cis-(+/-)-|406-850-2|BAS 480F|EC No.: 406-850-2|Epoxiconazol|epoxiconazole|Opal|Opal (fungicide)|Opal 7.5 EC|Opus|rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole|106325-08-0|205862-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040372
ERPathway2016 ERPathway2016_112 Epoxiconazole 133855-98-8 DTXSID1040372 ER Pathway Model, Agonist ACC 14.7725743285288 uM FC1=CC=C(C=C1)[C@@]1(CN2C=NC=N2)O[C@@H]1C1=C(Cl)C=CC=C1 Epoxiconazole 133855-98-8|Epoxiconazole|(2RS,35R)-1-(3-(2-Chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole|1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole cis-(+-)-|1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1-{[(2S,3R)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, cis-(+/-)-|406-850-2|BAS 480F|EC No.: 406-850-2|Epoxiconazol|epoxiconazole|Opal|Opal (fungicide)|Opal 7.5 EC|Opus|rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole|106325-08-0|205862-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040372
ERPathway2016 ERPathway2016_112 Epoxiconazole 133855-98-8 DTXSID1040372 ER Pathway Model, Agonist Model Score 0 Unitless FC1=CC=C(C=C1)[C@@]1(CN2C=NC=N2)O[C@@H]1C1=C(Cl)C=CC=C1 Epoxiconazole 133855-98-8|Epoxiconazole|(2RS,35R)-1-(3-(2-Chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole|1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole cis-(+-)-|1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1-{[(2S,3R)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, cis-(+/-)-|406-850-2|BAS 480F|EC No.: 406-850-2|Epoxiconazol|epoxiconazole|Opal|Opal (fungicide)|Opal 7.5 EC|Opus|rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole|106325-08-0|205862-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040372
ERPathway2016 ERPathway2016_112 Epoxiconazole 133855-98-8 DTXSID1040372 ER Pathway Model, Antagonist Model Score 0.0372 Unitless FC1=CC=C(C=C1)[C@@]1(CN2C=NC=N2)O[C@@H]1C1=C(Cl)C=CC=C1 Epoxiconazole 133855-98-8|Epoxiconazole|(2RS,35R)-1-(3-(2-Chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole|1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole cis-(+-)-|1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1-{[(2S,3R)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, cis-(+/-)-|406-850-2|BAS 480F|EC No.: 406-850-2|Epoxiconazol|epoxiconazole|Opal|Opal (fungicide)|Opal 7.5 EC|Opus|rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole|106325-08-0|205862-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040372
ERPathway2016 ERPathway2016_112 Epoxiconazole 133855-98-8 DTXSID1040372 ER Pathway Model, Agonist Call Active Unitless FC1=CC=C(C=C1)[C@@]1(CN2C=NC=N2)O[C@@H]1C1=C(Cl)C=CC=C1 Epoxiconazole 133855-98-8|Epoxiconazole|(2RS,35R)-1-(3-(2-Chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole|1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole cis-(+-)-|1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1-{[(2S,3R)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, cis-(+/-)-|406-850-2|BAS 480F|EC No.: 406-850-2|Epoxiconazol|epoxiconazole|Opal|Opal (fungicide)|Opal 7.5 EC|Opus|rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole|106325-08-0|205862-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040372
ERPathway2016 ERPathway2016_112 Epoxiconazole 133855-98-8 DTXSID1040372 ER Pathway Model, Antagonist Call Inactive Unitless FC1=CC=C(C=C1)[C@@]1(CN2C=NC=N2)O[C@@H]1C1=C(Cl)C=CC=C1 Epoxiconazole 133855-98-8|Epoxiconazole|(2RS,35R)-1-(3-(2-Chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole|1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole cis-(+-)-|1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1-{[(2S,3R)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, rel-|1H-1,2,4-Triazole, 1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl]methyl]-, cis-(+/-)-|406-850-2|BAS 480F|EC No.: 406-850-2|Epoxiconazol|epoxiconazole|Opal|Opal (fungicide)|Opal 7.5 EC|Opus|rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole|106325-08-0|205862-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040372
ARPathway2016 ARPathway2016_182 Equilin 474-86-2 DTXSID7047433 True antagonist shift (Hit/Hit) 6.0 Agonist AR Pathway Model, Agonist AC50 0.969164895016538 uM C[C@]12CC[C@H]3C(=CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O Equilin 474-86-2|Equilin|1,3,5,7-Estratetraen-3-ol-17-one|3-Hydroxyestra-1,3,5(10),7-tetraen-17-one|4-08-00-01366|7-Dehydroestrone|BRN 2624302|Dihydroequilenin|EINECS 207-488-6|NSC 10971|UNII-08O86EX0J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047433
ARPathway2016 ARPathway2016_182 Equilin 474-86-2 DTXSID7047433 True antagonist shift (Hit/Hit) 6.0 Agonist AR Pathway Model, Agonist ACC 0.452034343 uM C[C@]12CC[C@H]3C(=CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O Equilin 474-86-2|Equilin|1,3,5,7-Estratetraen-3-ol-17-one|3-Hydroxyestra-1,3,5(10),7-tetraen-17-one|4-08-00-01366|7-Dehydroestrone|BRN 2624302|Dihydroequilenin|EINECS 207-488-6|NSC 10971|UNII-08O86EX0J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047433
ARPathway2016 ARPathway2016_182 Equilin 474-86-2 DTXSID7047433 True antagonist shift (Hit/Hit) 6.0 Agonist AR Pathway Model, Antagonist Model Score 0.657 Unitless C[C@]12CC[C@H]3C(=CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O Equilin 474-86-2|Equilin|1,3,5,7-Estratetraen-3-ol-17-one|3-Hydroxyestra-1,3,5(10),7-tetraen-17-one|4-08-00-01366|7-Dehydroestrone|BRN 2624302|Dihydroequilenin|EINECS 207-488-6|NSC 10971|UNII-08O86EX0J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047433
ARPathway2016 ARPathway2016_182 Equilin 474-86-2 DTXSID7047433 True antagonist shift (Hit/Hit) 6.0 Agonist AR Pathway Model, Agonist Model Score 0.0807 Unitless C[C@]12CC[C@H]3C(=CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O Equilin 474-86-2|Equilin|1,3,5,7-Estratetraen-3-ol-17-one|3-Hydroxyestra-1,3,5(10),7-tetraen-17-one|4-08-00-01366|7-Dehydroestrone|BRN 2624302|Dihydroequilenin|EINECS 207-488-6|NSC 10971|UNII-08O86EX0J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047433
ARPathway2016 ARPathway2016_182 Equilin 474-86-2 DTXSID7047433 True antagonist shift (Hit/Hit) 6.0 Agonist AR Pathway Model, Agonist Call Active Unitless C[C@]12CC[C@H]3C(=CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O Equilin 474-86-2|Equilin|1,3,5,7-Estratetraen-3-ol-17-one|3-Hydroxyestra-1,3,5(10),7-tetraen-17-one|4-08-00-01366|7-Dehydroestrone|BRN 2624302|Dihydroequilenin|EINECS 207-488-6|NSC 10971|UNII-08O86EX0J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047433
ARPathway2016 ARPathway2016_182 Equilin 474-86-2 DTXSID7047433 True antagonist shift (Hit/Hit) 6.0 Agonist AR Pathway Model, Antagonist Call Inactive Unitless C[C@]12CC[C@H]3C(=CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O Equilin 474-86-2|Equilin|1,3,5,7-Estratetraen-3-ol-17-one|3-Hydroxyestra-1,3,5(10),7-tetraen-17-one|4-08-00-01366|7-Dehydroestrone|BRN 2624302|Dihydroequilenin|EINECS 207-488-6|NSC 10971|UNII-08O86EX0J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047433
ERPathway2016 ERPathway2016_149 Equilin 474-86-2 DTXSID7047433 Agonist ER Pathway Model, Antagonist AC50 0.0104161444476919 uM C[C@]12CC[C@H]3C(=CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O Equilin 474-86-2|Equilin|1,3,5,7-Estratetraen-3-ol-17-one|3-Hydroxyestra-1,3,5(10),7-tetraen-17-one|4-08-00-01366|7-Dehydroestrone|BRN 2624302|Dihydroequilenin|EINECS 207-488-6|NSC 10971|UNII-08O86EX0J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047433
ERPathway2016 ERPathway2016_149 Equilin 474-86-2 DTXSID7047433 Agonist ER Pathway Model, Antagonist ACC 0.00162426144650277 uM C[C@]12CC[C@H]3C(=CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O Equilin 474-86-2|Equilin|1,3,5,7-Estratetraen-3-ol-17-one|3-Hydroxyestra-1,3,5(10),7-tetraen-17-one|4-08-00-01366|7-Dehydroestrone|BRN 2624302|Dihydroequilenin|EINECS 207-488-6|NSC 10971|UNII-08O86EX0J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047433
ERPathway2016 ERPathway2016_149 Equilin 474-86-2 DTXSID7047433 Agonist ER Pathway Model, Agonist Model Score 0.822 Unitless C[C@]12CC[C@H]3C(=CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O Equilin 474-86-2|Equilin|1,3,5,7-Estratetraen-3-ol-17-one|3-Hydroxyestra-1,3,5(10),7-tetraen-17-one|4-08-00-01366|7-Dehydroestrone|BRN 2624302|Dihydroequilenin|EINECS 207-488-6|NSC 10971|UNII-08O86EX0J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047433
ERPathway2016 ERPathway2016_149 Equilin 474-86-2 DTXSID7047433 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless C[C@]12CC[C@H]3C(=CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O Equilin 474-86-2|Equilin|1,3,5,7-Estratetraen-3-ol-17-one|3-Hydroxyestra-1,3,5(10),7-tetraen-17-one|4-08-00-01366|7-Dehydroestrone|BRN 2624302|Dihydroequilenin|EINECS 207-488-6|NSC 10971|UNII-08O86EX0J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047433
ERPathway2016 ERPathway2016_149 Equilin 474-86-2 DTXSID7047433 Agonist ER Pathway Model, Agonist Call Inactive Unitless C[C@]12CC[C@H]3C(=CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O Equilin 474-86-2|Equilin|1,3,5,7-Estratetraen-3-ol-17-one|3-Hydroxyestra-1,3,5(10),7-tetraen-17-one|4-08-00-01366|7-Dehydroestrone|BRN 2624302|Dihydroequilenin|EINECS 207-488-6|NSC 10971|UNII-08O86EX0J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047433
ERPathway2016 ERPathway2016_149 Equilin 474-86-2 DTXSID7047433 Agonist ER Pathway Model, Antagonist Call Active Unitless C[C@]12CC[C@H]3C(=CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O Equilin 474-86-2|Equilin|1,3,5,7-Estratetraen-3-ol-17-one|3-Hydroxyestra-1,3,5(10),7-tetraen-17-one|4-08-00-01366|7-Dehydroestrone|BRN 2624302|Dihydroequilenin|EINECS 207-488-6|NSC 10971|UNII-08O86EX0J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047433
ARPathway2016 ARPathway2016_187 Ergocalciferol 50-14-6 DTXSID5020233 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 68.5886524519628 uM [H][C@@]1(CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)CCC1=C)[C@H](C)C=C[C@H](C)C(C)C Ergocalciferol 50-14-6|Ergocalciferol|(+)-Vitamin D2|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol|(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol|(1S,3Z)-4-Methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]cyclohexanol|(3-beta,5Z,7E,22E)-9,10-Secoergosta-5,7,10,(19|1384584-60-4|31316-19-5|7489-18-1|8017-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020233
ARPathway2016 ARPathway2016_187 Ergocalciferol 50-14-6 DTXSID5020233 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 38.9487931 uM [H][C@@]1(CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)CCC1=C)[C@H](C)C=C[C@H](C)C(C)C Ergocalciferol 50-14-6|Ergocalciferol|(+)-Vitamin D2|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol|(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol|(1S,3Z)-4-Methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]cyclohexanol|(3-beta,5Z,7E,22E)-9,10-Secoergosta-5,7,10,(19|1384584-60-4|31316-19-5|7489-18-1|8017-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020233
ARPathway2016 ARPathway2016_187 Ergocalciferol 50-14-6 DTXSID5020233 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0908 Unitless [H][C@@]1(CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)CCC1=C)[C@H](C)C=C[C@H](C)C(C)C Ergocalciferol 50-14-6|Ergocalciferol|(+)-Vitamin D2|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol|(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol|(1S,3Z)-4-Methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]cyclohexanol|(3-beta,5Z,7E,22E)-9,10-Secoergosta-5,7,10,(19|1384584-60-4|31316-19-5|7489-18-1|8017-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020233
ARPathway2016 ARPathway2016_187 Ergocalciferol 50-14-6 DTXSID5020233 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [H][C@@]1(CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)CCC1=C)[C@H](C)C=C[C@H](C)C(C)C Ergocalciferol 50-14-6|Ergocalciferol|(+)-Vitamin D2|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol|(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol|(1S,3Z)-4-Methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]cyclohexanol|(3-beta,5Z,7E,22E)-9,10-Secoergosta-5,7,10,(19|1384584-60-4|31316-19-5|7489-18-1|8017-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020233
ARPathway2016 ARPathway2016_187 Ergocalciferol 50-14-6 DTXSID5020233 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [H][C@@]1(CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)CCC1=C)[C@H](C)C=C[C@H](C)C(C)C Ergocalciferol 50-14-6|Ergocalciferol|(+)-Vitamin D2|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol|(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol|(1S,3Z)-4-Methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]cyclohexanol|(3-beta,5Z,7E,22E)-9,10-Secoergosta-5,7,10,(19|1384584-60-4|31316-19-5|7489-18-1|8017-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020233
ARPathway2016 ARPathway2016_187 Ergocalciferol 50-14-6 DTXSID5020233 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [H][C@@]1(CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)CCC1=C)[C@H](C)C=C[C@H](C)C(C)C Ergocalciferol 50-14-6|Ergocalciferol|(+)-Vitamin D2|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol|(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol|(1S,3Z)-4-Methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]cyclohexanol|(3-beta,5Z,7E,22E)-9,10-Secoergosta-5,7,10,(19|1384584-60-4|31316-19-5|7489-18-1|8017-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020233
ERPathway2016 ERPathway2016_128 Ergocalciferol 50-14-6 DTXSID5020233 A3 ER Pathway Model, Agonist AC50 0.0439261949180241 uM [H][C@@]1(CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)CCC1=C)[C@H](C)C=C[C@H](C)C(C)C Ergocalciferol 50-14-6|Ergocalciferol|(+)-Vitamin D2|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol|(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol|(1S,3Z)-4-Methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]cyclohexanol|(3-beta,5Z,7E,22E)-9,10-Secoergosta-5,7,10,(19|1384584-60-4|31316-19-5|7489-18-1|8017-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020233
ERPathway2016 ERPathway2016_128 Ergocalciferol 50-14-6 DTXSID5020233 A3 ER Pathway Model, Agonist ACC 0.0374534272245393 uM [H][C@@]1(CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)CCC1=C)[C@H](C)C=C[C@H](C)C(C)C Ergocalciferol 50-14-6|Ergocalciferol|(+)-Vitamin D2|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol|(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol|(1S,3Z)-4-Methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]cyclohexanol|(3-beta,5Z,7E,22E)-9,10-Secoergosta-5,7,10,(19|1384584-60-4|31316-19-5|7489-18-1|8017-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020233
ERPathway2016 ERPathway2016_128 Ergocalciferol 50-14-6 DTXSID5020233 A3 ER Pathway Model, Agonist Model Score 0 Unitless [H][C@@]1(CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)CCC1=C)[C@H](C)C=C[C@H](C)C(C)C Ergocalciferol 50-14-6|Ergocalciferol|(+)-Vitamin D2|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol|(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol|(1S,3Z)-4-Methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]cyclohexanol|(3-beta,5Z,7E,22E)-9,10-Secoergosta-5,7,10,(19|1384584-60-4|31316-19-5|7489-18-1|8017-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020233
ERPathway2016 ERPathway2016_128 Ergocalciferol 50-14-6 DTXSID5020233 A3 ER Pathway Model, Antagonist Model Score 0.0286 Unitless [H][C@@]1(CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)CCC1=C)[C@H](C)C=C[C@H](C)C(C)C Ergocalciferol 50-14-6|Ergocalciferol|(+)-Vitamin D2|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol|(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol|(1S,3Z)-4-Methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]cyclohexanol|(3-beta,5Z,7E,22E)-9,10-Secoergosta-5,7,10,(19|1384584-60-4|31316-19-5|7489-18-1|8017-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020233
ERPathway2016 ERPathway2016_128 Ergocalciferol 50-14-6 DTXSID5020233 A3 ER Pathway Model, Agonist Call Active Unitless [H][C@@]1(CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)CCC1=C)[C@H](C)C=C[C@H](C)C(C)C Ergocalciferol 50-14-6|Ergocalciferol|(+)-Vitamin D2|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol|(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol|(1S,3Z)-4-Methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]cyclohexanol|(3-beta,5Z,7E,22E)-9,10-Secoergosta-5,7,10,(19|1384584-60-4|31316-19-5|7489-18-1|8017-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020233
ERPathway2016 ERPathway2016_128 Ergocalciferol 50-14-6 DTXSID5020233 A3 ER Pathway Model, Antagonist Call Inactive Unitless [H][C@@]1(CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)CCC1=C)[C@H](C)C=C[C@H](C)C(C)C Ergocalciferol 50-14-6|Ergocalciferol|(+)-Vitamin D2|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol|(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol|(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol|(1S,3Z)-4-Methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]cyclohexanol|(3-beta,5Z,7E,22E)-9,10-Secoergosta-5,7,10,(19|1384584-60-4|31316-19-5|7489-18-1|8017-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020233
ARPathway2016 ARPathway2016_622 Erythromycin 114-07-8 DTXSID4022991 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O Erythromycin 114-07-8|Erythromycin|(-)-Erythromycin|[3R-(3R*,4S*,5S*,6R*,7R*,9R*,11R*,12R*,13S*,14R*)]-4-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]oxacyclotetradecane-2,10-dione|204-040-1|6-(4-Dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione(Erythromycin)erthromycin|Abboticin|Abomacetin|Acneryne|Acnesol|Ak-Mycin|Akne Cordes Losung|Akne-Mycin|Aknederm Ery Gel|Aknemycin|AustriaS|Del-Mycin|Derimer|Deripil|Dotycin|Dumotrycin|E-Glades|E-Mycin|EC No.: 204-040-1|EINECS 204-040-1|Endoeritrin|Erimycin-T|Erisone|Eritomicina|Eritrocina|eritromicina|Ermycin|Ery-Diolan|Ery-maxin|Ery-Tab|Eryacne|Eryacnen|Eryc sprinkles|Erycette|Erycinum|EryDerm|Erydermer|Eryhexal|Erysafe|Erythra-Derm|Erythro|Erythro-Statin|Erythro-Teva|Erythrocin|Erythroderm|Erythrogran|Erythroguent|1348698-84-9|1349104-86-4|1349604-76-7|374700-25-1|47879-92-5|47879-97-0|47880-49-9|50976-86-8|7540-22-9|775573-41-6|797051-71-9|856313-44-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022991
ARPathway2016 ARPathway2016_622 Erythromycin 114-07-8 DTXSID4022991 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O Erythromycin 114-07-8|Erythromycin|(-)-Erythromycin|[3R-(3R*,4S*,5S*,6R*,7R*,9R*,11R*,12R*,13S*,14R*)]-4-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]oxacyclotetradecane-2,10-dione|204-040-1|6-(4-Dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione(Erythromycin)erthromycin|Abboticin|Abomacetin|Acneryne|Acnesol|Ak-Mycin|Akne Cordes Losung|Akne-Mycin|Aknederm Ery Gel|Aknemycin|AustriaS|Del-Mycin|Derimer|Deripil|Dotycin|Dumotrycin|E-Glades|E-Mycin|EC No.: 204-040-1|EINECS 204-040-1|Endoeritrin|Erimycin-T|Erisone|Eritomicina|Eritrocina|eritromicina|Ermycin|Ery-Diolan|Ery-maxin|Ery-Tab|Eryacne|Eryacnen|Eryc sprinkles|Erycette|Erycinum|EryDerm|Erydermer|Eryhexal|Erysafe|Erythra-Derm|Erythro|Erythro-Statin|Erythro-Teva|Erythrocin|Erythroderm|Erythrogran|Erythroguent|1348698-84-9|1349104-86-4|1349604-76-7|374700-25-1|47879-92-5|47879-97-0|47880-49-9|50976-86-8|7540-22-9|775573-41-6|797051-71-9|856313-44-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022991
ARPathway2016 ARPathway2016_622 Erythromycin 114-07-8 DTXSID4022991 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O Erythromycin 114-07-8|Erythromycin|(-)-Erythromycin|[3R-(3R*,4S*,5S*,6R*,7R*,9R*,11R*,12R*,13S*,14R*)]-4-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]oxacyclotetradecane-2,10-dione|204-040-1|6-(4-Dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione(Erythromycin)erthromycin|Abboticin|Abomacetin|Acneryne|Acnesol|Ak-Mycin|Akne Cordes Losung|Akne-Mycin|Aknederm Ery Gel|Aknemycin|AustriaS|Del-Mycin|Derimer|Deripil|Dotycin|Dumotrycin|E-Glades|E-Mycin|EC No.: 204-040-1|EINECS 204-040-1|Endoeritrin|Erimycin-T|Erisone|Eritomicina|Eritrocina|eritromicina|Ermycin|Ery-Diolan|Ery-maxin|Ery-Tab|Eryacne|Eryacnen|Eryc sprinkles|Erycette|Erycinum|EryDerm|Erydermer|Eryhexal|Erysafe|Erythra-Derm|Erythro|Erythro-Statin|Erythro-Teva|Erythrocin|Erythroderm|Erythrogran|Erythroguent|1348698-84-9|1349104-86-4|1349604-76-7|374700-25-1|47879-92-5|47879-97-0|47880-49-9|50976-86-8|7540-22-9|775573-41-6|797051-71-9|856313-44-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022991
ARPathway2016 ARPathway2016_622 Erythromycin 114-07-8 DTXSID4022991 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O Erythromycin 114-07-8|Erythromycin|(-)-Erythromycin|[3R-(3R*,4S*,5S*,6R*,7R*,9R*,11R*,12R*,13S*,14R*)]-4-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]oxacyclotetradecane-2,10-dione|204-040-1|6-(4-Dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione(Erythromycin)erthromycin|Abboticin|Abomacetin|Acneryne|Acnesol|Ak-Mycin|Akne Cordes Losung|Akne-Mycin|Aknederm Ery Gel|Aknemycin|AustriaS|Del-Mycin|Derimer|Deripil|Dotycin|Dumotrycin|E-Glades|E-Mycin|EC No.: 204-040-1|EINECS 204-040-1|Endoeritrin|Erimycin-T|Erisone|Eritomicina|Eritrocina|eritromicina|Ermycin|Ery-Diolan|Ery-maxin|Ery-Tab|Eryacne|Eryacnen|Eryc sprinkles|Erycette|Erycinum|EryDerm|Erydermer|Eryhexal|Erysafe|Erythra-Derm|Erythro|Erythro-Statin|Erythro-Teva|Erythrocin|Erythroderm|Erythrogran|Erythroguent|1348698-84-9|1349104-86-4|1349604-76-7|374700-25-1|47879-92-5|47879-97-0|47880-49-9|50976-86-8|7540-22-9|775573-41-6|797051-71-9|856313-44-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022991
ERPathway2016 ERPathway2016_1184 Erythromycin 114-07-8 DTXSID4022991 ER Pathway Model, Agonist Model Score 0 Unitless CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O Erythromycin 114-07-8|Erythromycin|(-)-Erythromycin|[3R-(3R*,4S*,5S*,6R*,7R*,9R*,11R*,12R*,13S*,14R*)]-4-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]oxacyclotetradecane-2,10-dione|204-040-1|6-(4-Dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione(Erythromycin)erthromycin|Abboticin|Abomacetin|Acneryne|Acnesol|Ak-Mycin|Akne Cordes Losung|Akne-Mycin|Aknederm Ery Gel|Aknemycin|AustriaS|Del-Mycin|Derimer|Deripil|Dotycin|Dumotrycin|E-Glades|E-Mycin|EC No.: 204-040-1|EINECS 204-040-1|Endoeritrin|Erimycin-T|Erisone|Eritomicina|Eritrocina|eritromicina|Ermycin|Ery-Diolan|Ery-maxin|Ery-Tab|Eryacne|Eryacnen|Eryc sprinkles|Erycette|Erycinum|EryDerm|Erydermer|Eryhexal|Erysafe|Erythra-Derm|Erythro|Erythro-Statin|Erythro-Teva|Erythrocin|Erythroderm|Erythrogran|Erythroguent|1348698-84-9|1349104-86-4|1349604-76-7|374700-25-1|47879-92-5|47879-97-0|47880-49-9|50976-86-8|7540-22-9|775573-41-6|797051-71-9|856313-44-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022991
ERPathway2016 ERPathway2016_1184 Erythromycin 114-07-8 DTXSID4022991 ER Pathway Model, Antagonist Model Score 0 Unitless CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O Erythromycin 114-07-8|Erythromycin|(-)-Erythromycin|[3R-(3R*,4S*,5S*,6R*,7R*,9R*,11R*,12R*,13S*,14R*)]-4-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]oxacyclotetradecane-2,10-dione|204-040-1|6-(4-Dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione(Erythromycin)erthromycin|Abboticin|Abomacetin|Acneryne|Acnesol|Ak-Mycin|Akne Cordes Losung|Akne-Mycin|Aknederm Ery Gel|Aknemycin|AustriaS|Del-Mycin|Derimer|Deripil|Dotycin|Dumotrycin|E-Glades|E-Mycin|EC No.: 204-040-1|EINECS 204-040-1|Endoeritrin|Erimycin-T|Erisone|Eritomicina|Eritrocina|eritromicina|Ermycin|Ery-Diolan|Ery-maxin|Ery-Tab|Eryacne|Eryacnen|Eryc sprinkles|Erycette|Erycinum|EryDerm|Erydermer|Eryhexal|Erysafe|Erythra-Derm|Erythro|Erythro-Statin|Erythro-Teva|Erythrocin|Erythroderm|Erythrogran|Erythroguent|1348698-84-9|1349104-86-4|1349604-76-7|374700-25-1|47879-92-5|47879-97-0|47880-49-9|50976-86-8|7540-22-9|775573-41-6|797051-71-9|856313-44-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022991
ERPathway2016 ERPathway2016_1184 Erythromycin 114-07-8 DTXSID4022991 ER Pathway Model, Agonist Call Inactive Unitless CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O Erythromycin 114-07-8|Erythromycin|(-)-Erythromycin|[3R-(3R*,4S*,5S*,6R*,7R*,9R*,11R*,12R*,13S*,14R*)]-4-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]oxacyclotetradecane-2,10-dione|204-040-1|6-(4-Dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione(Erythromycin)erthromycin|Abboticin|Abomacetin|Acneryne|Acnesol|Ak-Mycin|Akne Cordes Losung|Akne-Mycin|Aknederm Ery Gel|Aknemycin|AustriaS|Del-Mycin|Derimer|Deripil|Dotycin|Dumotrycin|E-Glades|E-Mycin|EC No.: 204-040-1|EINECS 204-040-1|Endoeritrin|Erimycin-T|Erisone|Eritomicina|Eritrocina|eritromicina|Ermycin|Ery-Diolan|Ery-maxin|Ery-Tab|Eryacne|Eryacnen|Eryc sprinkles|Erycette|Erycinum|EryDerm|Erydermer|Eryhexal|Erysafe|Erythra-Derm|Erythro|Erythro-Statin|Erythro-Teva|Erythrocin|Erythroderm|Erythrogran|Erythroguent|1348698-84-9|1349104-86-4|1349604-76-7|374700-25-1|47879-92-5|47879-97-0|47880-49-9|50976-86-8|7540-22-9|775573-41-6|797051-71-9|856313-44-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022991
ERPathway2016 ERPathway2016_1184 Erythromycin 114-07-8 DTXSID4022991 ER Pathway Model, Antagonist Call Inactive Unitless CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O Erythromycin 114-07-8|Erythromycin|(-)-Erythromycin|[3R-(3R*,4S*,5S*,6R*,7R*,9R*,11R*,12R*,13S*,14R*)]-4-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]oxacyclotetradecane-2,10-dione|204-040-1|6-(4-Dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione(Erythromycin)erthromycin|Abboticin|Abomacetin|Acneryne|Acnesol|Ak-Mycin|Akne Cordes Losung|Akne-Mycin|Aknederm Ery Gel|Aknemycin|AustriaS|Del-Mycin|Derimer|Deripil|Dotycin|Dumotrycin|E-Glades|E-Mycin|EC No.: 204-040-1|EINECS 204-040-1|Endoeritrin|Erimycin-T|Erisone|Eritomicina|Eritrocina|eritromicina|Ermycin|Ery-Diolan|Ery-maxin|Ery-Tab|Eryacne|Eryacnen|Eryc sprinkles|Erycette|Erycinum|EryDerm|Erydermer|Eryhexal|Erysafe|Erythra-Derm|Erythro|Erythro-Statin|Erythro-Teva|Erythrocin|Erythroderm|Erythrogran|Erythroguent|1348698-84-9|1349104-86-4|1349604-76-7|374700-25-1|47879-92-5|47879-97-0|47880-49-9|50976-86-8|7540-22-9|775573-41-6|797051-71-9|856313-44-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022991
ARPathway2016 ARPathway2016_1456 Es-fenvalerate 66230-04-4 DTXSID4032667 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)[C@H](C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 Es-fenvalerate 66230-04-4|Es-fenvalerate|(S-(R*,R*))-Cyano(3-phenoxyphenyl)methyl 4-chloro-2-(1-methylethyl)benzeneacetate|(S,S)-Fenvalerate|(S)-alpha-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-alpha-Cyano-3-phenoxybenzyl(S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-a-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-a-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)isovalerate|1S,1'S-Fenvalerate|A alpha|Asana XL|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (aS)-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [S-(R*,R*)]-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, (S-(R*,R*))-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [S-(R*,R*)]-|BRN 4275674|Es-fenvalerate|Esfenvalerate|Fenvalerate (S,S)-isomer|Fenvalerate A alpha|Fenvalerate alpha|Fenvalerate Aa|Fenvalerate a|Halmark|MO 70616|S 5602 A alpha|S-5620A alpha|Sumi-alfa|Sumi-alpha|Sumi-Gold|Sumiciclin|72650-28-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032667
ARPathway2016 ARPathway2016_1456 Es-fenvalerate 66230-04-4 DTXSID4032667 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)[C@H](C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 Es-fenvalerate 66230-04-4|Es-fenvalerate|(S-(R*,R*))-Cyano(3-phenoxyphenyl)methyl 4-chloro-2-(1-methylethyl)benzeneacetate|(S,S)-Fenvalerate|(S)-alpha-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-alpha-Cyano-3-phenoxybenzyl(S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-a-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-a-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)isovalerate|1S,1'S-Fenvalerate|A alpha|Asana XL|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (aS)-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [S-(R*,R*)]-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, (S-(R*,R*))-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [S-(R*,R*)]-|BRN 4275674|Es-fenvalerate|Esfenvalerate|Fenvalerate (S,S)-isomer|Fenvalerate A alpha|Fenvalerate alpha|Fenvalerate Aa|Fenvalerate a|Halmark|MO 70616|S 5602 A alpha|S-5620A alpha|Sumi-alfa|Sumi-alpha|Sumi-Gold|Sumiciclin|72650-28-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032667
ARPathway2016 ARPathway2016_1456 Es-fenvalerate 66230-04-4 DTXSID4032667 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)[C@H](C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 Es-fenvalerate 66230-04-4|Es-fenvalerate|(S-(R*,R*))-Cyano(3-phenoxyphenyl)methyl 4-chloro-2-(1-methylethyl)benzeneacetate|(S,S)-Fenvalerate|(S)-alpha-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-alpha-Cyano-3-phenoxybenzyl(S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-a-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-a-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)isovalerate|1S,1'S-Fenvalerate|A alpha|Asana XL|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (aS)-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [S-(R*,R*)]-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, (S-(R*,R*))-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [S-(R*,R*)]-|BRN 4275674|Es-fenvalerate|Esfenvalerate|Fenvalerate (S,S)-isomer|Fenvalerate A alpha|Fenvalerate alpha|Fenvalerate Aa|Fenvalerate a|Halmark|MO 70616|S 5602 A alpha|S-5620A alpha|Sumi-alfa|Sumi-alpha|Sumi-Gold|Sumiciclin|72650-28-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032667
ARPathway2016 ARPathway2016_1456 Es-fenvalerate 66230-04-4 DTXSID4032667 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)[C@H](C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 Es-fenvalerate 66230-04-4|Es-fenvalerate|(S-(R*,R*))-Cyano(3-phenoxyphenyl)methyl 4-chloro-2-(1-methylethyl)benzeneacetate|(S,S)-Fenvalerate|(S)-alpha-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-alpha-Cyano-3-phenoxybenzyl(S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-a-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-a-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)isovalerate|1S,1'S-Fenvalerate|A alpha|Asana XL|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (aS)-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [S-(R*,R*)]-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, (S-(R*,R*))-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [S-(R*,R*)]-|BRN 4275674|Es-fenvalerate|Esfenvalerate|Fenvalerate (S,S)-isomer|Fenvalerate A alpha|Fenvalerate alpha|Fenvalerate Aa|Fenvalerate a|Halmark|MO 70616|S 5602 A alpha|S-5620A alpha|Sumi-alfa|Sumi-alpha|Sumi-Gold|Sumiciclin|72650-28-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032667
ERPathway2016 ERPathway2016_748 Es-fenvalerate 66230-04-4 DTXSID4032667 A12 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)[C@H](C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 Es-fenvalerate 66230-04-4|Es-fenvalerate|(S-(R*,R*))-Cyano(3-phenoxyphenyl)methyl 4-chloro-2-(1-methylethyl)benzeneacetate|(S,S)-Fenvalerate|(S)-alpha-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-alpha-Cyano-3-phenoxybenzyl(S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-a-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-a-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)isovalerate|1S,1'S-Fenvalerate|A alpha|Asana XL|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (aS)-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [S-(R*,R*)]-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, (S-(R*,R*))-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [S-(R*,R*)]-|BRN 4275674|Es-fenvalerate|Esfenvalerate|Fenvalerate (S,S)-isomer|Fenvalerate A alpha|Fenvalerate alpha|Fenvalerate Aa|Fenvalerate a|Halmark|MO 70616|S 5602 A alpha|S-5620A alpha|Sumi-alfa|Sumi-alpha|Sumi-Gold|Sumiciclin|72650-28-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032667
ERPathway2016 ERPathway2016_748 Es-fenvalerate 66230-04-4 DTXSID4032667 A12 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)[C@H](C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 Es-fenvalerate 66230-04-4|Es-fenvalerate|(S-(R*,R*))-Cyano(3-phenoxyphenyl)methyl 4-chloro-2-(1-methylethyl)benzeneacetate|(S,S)-Fenvalerate|(S)-alpha-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-alpha-Cyano-3-phenoxybenzyl(S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-a-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-a-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)isovalerate|1S,1'S-Fenvalerate|A alpha|Asana XL|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (aS)-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [S-(R*,R*)]-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, (S-(R*,R*))-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [S-(R*,R*)]-|BRN 4275674|Es-fenvalerate|Esfenvalerate|Fenvalerate (S,S)-isomer|Fenvalerate A alpha|Fenvalerate alpha|Fenvalerate Aa|Fenvalerate a|Halmark|MO 70616|S 5602 A alpha|S-5620A alpha|Sumi-alfa|Sumi-alpha|Sumi-Gold|Sumiciclin|72650-28-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032667
ERPathway2016 ERPathway2016_748 Es-fenvalerate 66230-04-4 DTXSID4032667 A12 ER Pathway Model, Agonist Call Inactive Unitless CC(C)[C@H](C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 Es-fenvalerate 66230-04-4|Es-fenvalerate|(S-(R*,R*))-Cyano(3-phenoxyphenyl)methyl 4-chloro-2-(1-methylethyl)benzeneacetate|(S,S)-Fenvalerate|(S)-alpha-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-alpha-Cyano-3-phenoxybenzyl(S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-a-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-a-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)isovalerate|1S,1'S-Fenvalerate|A alpha|Asana XL|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (aS)-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [S-(R*,R*)]-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, (S-(R*,R*))-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [S-(R*,R*)]-|BRN 4275674|Es-fenvalerate|Esfenvalerate|Fenvalerate (S,S)-isomer|Fenvalerate A alpha|Fenvalerate alpha|Fenvalerate Aa|Fenvalerate a|Halmark|MO 70616|S 5602 A alpha|S-5620A alpha|Sumi-alfa|Sumi-alpha|Sumi-Gold|Sumiciclin|72650-28-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032667
ERPathway2016 ERPathway2016_748 Es-fenvalerate 66230-04-4 DTXSID4032667 A12 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)[C@H](C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 Es-fenvalerate 66230-04-4|Es-fenvalerate|(S-(R*,R*))-Cyano(3-phenoxyphenyl)methyl 4-chloro-2-(1-methylethyl)benzeneacetate|(S,S)-Fenvalerate|(S)-alpha-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-alpha-Cyano-3-phenoxybenzyl(S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-a-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate|(S)-a-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)isovalerate|1S,1'S-Fenvalerate|A alpha|Asana XL|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (aS)-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [S-(R*,R*)]-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, (S-(R*,R*))-|Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, [S-(R*,R*)]-|BRN 4275674|Es-fenvalerate|Esfenvalerate|Fenvalerate (S,S)-isomer|Fenvalerate A alpha|Fenvalerate alpha|Fenvalerate Aa|Fenvalerate a|Halmark|MO 70616|S 5602 A alpha|S-5620A alpha|Sumi-alfa|Sumi-alpha|Sumi-Gold|Sumiciclin|72650-28-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032667
ARPathway2016 ARPathway2016_831 Estragole 140-67-0 DTXSID0020575 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(CC=C)C=C1 Estragole 140-67-0|Estragole|1-Allyl-4-methoxybenzene|1-Methoxy-4-(2-propen-1-yl)-Benzene|1-Methoxy-4-(2-propen-1-yl)benzene|1-Methoxy-4-(2-propenyl)-Benzene|1-Methoxy-4-(2-propenyl)benzene|1-Methoxy-4-(2-propenyl)benzene, 9CI|1-Methoxy-4-prop-2-enylbenzene|205-427-8|3-(4-Methoxyphenyl)-1-propene|3-(p-Methoxyphenyl)-1-propene|3-(p-Methoxyphenyl)propene|4-06-00-03817|4-alilanisol|4-allyl anisole|4-Allyl-1-methoxybenzene|4-Allylanisol|4-Allylanisole|4-Allylmethoxybenzene|4-Methoxyallylbenzene|Allylphenyl methyl ether, p-|Anisole, p-allyl-|AUSTL 21320|Benzene, 1-methoxy-4-(2-propen-1-yl)-|Benzene, 1-methoxy-4-(2-propenyl)-|Benzene, 1-methoxy, 4-prop-2-enyl|BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL|BRN 1099454|Chavicol methyl ether|Chavicol, methyl-|Chavicol, O-methyl-|Chavicyl methyl ether|EC No.: 205-427-8|EINECS 205-427-8|Esdragol|Esdragole|Esdragon|Estragenole|Estragol|Estragol (methylchavicol)|Ether, p-allylphenyl methyl|FEMA No. 2411|Isoanethole|Isoanthethole|Methyl chavicol|Methyl chavicole|Methyl chavicole (estragole)|Methyl-Chavicol||1407-27-8|77525-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020575 https://doi.org/10.22427/NTP-DATA-DTXSID0020575
ARPathway2016 ARPathway2016_831 Estragole 140-67-0 DTXSID0020575 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(CC=C)C=C1 Estragole 140-67-0|Estragole|1-Allyl-4-methoxybenzene|1-Methoxy-4-(2-propen-1-yl)-Benzene|1-Methoxy-4-(2-propen-1-yl)benzene|1-Methoxy-4-(2-propenyl)-Benzene|1-Methoxy-4-(2-propenyl)benzene|1-Methoxy-4-(2-propenyl)benzene, 9CI|1-Methoxy-4-prop-2-enylbenzene|205-427-8|3-(4-Methoxyphenyl)-1-propene|3-(p-Methoxyphenyl)-1-propene|3-(p-Methoxyphenyl)propene|4-06-00-03817|4-alilanisol|4-allyl anisole|4-Allyl-1-methoxybenzene|4-Allylanisol|4-Allylanisole|4-Allylmethoxybenzene|4-Methoxyallylbenzene|Allylphenyl methyl ether, p-|Anisole, p-allyl-|AUSTL 21320|Benzene, 1-methoxy-4-(2-propen-1-yl)-|Benzene, 1-methoxy-4-(2-propenyl)-|Benzene, 1-methoxy, 4-prop-2-enyl|BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL|BRN 1099454|Chavicol methyl ether|Chavicol, methyl-|Chavicol, O-methyl-|Chavicyl methyl ether|EC No.: 205-427-8|EINECS 205-427-8|Esdragol|Esdragole|Esdragon|Estragenole|Estragol|Estragol (methylchavicol)|Ether, p-allylphenyl methyl|FEMA No. 2411|Isoanethole|Isoanthethole|Methyl chavicol|Methyl chavicole|Methyl chavicole (estragole)|Methyl-Chavicol||1407-27-8|77525-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020575 https://doi.org/10.22427/NTP-DATA-DTXSID0020575
ARPathway2016 ARPathway2016_831 Estragole 140-67-0 DTXSID0020575 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(CC=C)C=C1 Estragole 140-67-0|Estragole|1-Allyl-4-methoxybenzene|1-Methoxy-4-(2-propen-1-yl)-Benzene|1-Methoxy-4-(2-propen-1-yl)benzene|1-Methoxy-4-(2-propenyl)-Benzene|1-Methoxy-4-(2-propenyl)benzene|1-Methoxy-4-(2-propenyl)benzene, 9CI|1-Methoxy-4-prop-2-enylbenzene|205-427-8|3-(4-Methoxyphenyl)-1-propene|3-(p-Methoxyphenyl)-1-propene|3-(p-Methoxyphenyl)propene|4-06-00-03817|4-alilanisol|4-allyl anisole|4-Allyl-1-methoxybenzene|4-Allylanisol|4-Allylanisole|4-Allylmethoxybenzene|4-Methoxyallylbenzene|Allylphenyl methyl ether, p-|Anisole, p-allyl-|AUSTL 21320|Benzene, 1-methoxy-4-(2-propen-1-yl)-|Benzene, 1-methoxy-4-(2-propenyl)-|Benzene, 1-methoxy, 4-prop-2-enyl|BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL|BRN 1099454|Chavicol methyl ether|Chavicol, methyl-|Chavicol, O-methyl-|Chavicyl methyl ether|EC No.: 205-427-8|EINECS 205-427-8|Esdragol|Esdragole|Esdragon|Estragenole|Estragol|Estragol (methylchavicol)|Ether, p-allylphenyl methyl|FEMA No. 2411|Isoanethole|Isoanthethole|Methyl chavicol|Methyl chavicole|Methyl chavicole (estragole)|Methyl-Chavicol||1407-27-8|77525-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020575 https://doi.org/10.22427/NTP-DATA-DTXSID0020575
ARPathway2016 ARPathway2016_831 Estragole 140-67-0 DTXSID0020575 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(CC=C)C=C1 Estragole 140-67-0|Estragole|1-Allyl-4-methoxybenzene|1-Methoxy-4-(2-propen-1-yl)-Benzene|1-Methoxy-4-(2-propen-1-yl)benzene|1-Methoxy-4-(2-propenyl)-Benzene|1-Methoxy-4-(2-propenyl)benzene|1-Methoxy-4-(2-propenyl)benzene, 9CI|1-Methoxy-4-prop-2-enylbenzene|205-427-8|3-(4-Methoxyphenyl)-1-propene|3-(p-Methoxyphenyl)-1-propene|3-(p-Methoxyphenyl)propene|4-06-00-03817|4-alilanisol|4-allyl anisole|4-Allyl-1-methoxybenzene|4-Allylanisol|4-Allylanisole|4-Allylmethoxybenzene|4-Methoxyallylbenzene|Allylphenyl methyl ether, p-|Anisole, p-allyl-|AUSTL 21320|Benzene, 1-methoxy-4-(2-propen-1-yl)-|Benzene, 1-methoxy-4-(2-propenyl)-|Benzene, 1-methoxy, 4-prop-2-enyl|BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL|BRN 1099454|Chavicol methyl ether|Chavicol, methyl-|Chavicol, O-methyl-|Chavicyl methyl ether|EC No.: 205-427-8|EINECS 205-427-8|Esdragol|Esdragole|Esdragon|Estragenole|Estragol|Estragol (methylchavicol)|Ether, p-allylphenyl methyl|FEMA No. 2411|Isoanethole|Isoanthethole|Methyl chavicol|Methyl chavicole|Methyl chavicole (estragole)|Methyl-Chavicol||1407-27-8|77525-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020575 https://doi.org/10.22427/NTP-DATA-DTXSID0020575
ERPathway2016 ERPathway2016_920 Estragole 140-67-0 DTXSID0020575 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(CC=C)C=C1 Estragole 140-67-0|Estragole|1-Allyl-4-methoxybenzene|1-Methoxy-4-(2-propen-1-yl)-Benzene|1-Methoxy-4-(2-propen-1-yl)benzene|1-Methoxy-4-(2-propenyl)-Benzene|1-Methoxy-4-(2-propenyl)benzene|1-Methoxy-4-(2-propenyl)benzene, 9CI|1-Methoxy-4-prop-2-enylbenzene|205-427-8|3-(4-Methoxyphenyl)-1-propene|3-(p-Methoxyphenyl)-1-propene|3-(p-Methoxyphenyl)propene|4-06-00-03817|4-alilanisol|4-allyl anisole|4-Allyl-1-methoxybenzene|4-Allylanisol|4-Allylanisole|4-Allylmethoxybenzene|4-Methoxyallylbenzene|Allylphenyl methyl ether, p-|Anisole, p-allyl-|AUSTL 21320|Benzene, 1-methoxy-4-(2-propen-1-yl)-|Benzene, 1-methoxy-4-(2-propenyl)-|Benzene, 1-methoxy, 4-prop-2-enyl|BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL|BRN 1099454|Chavicol methyl ether|Chavicol, methyl-|Chavicol, O-methyl-|Chavicyl methyl ether|EC No.: 205-427-8|EINECS 205-427-8|Esdragol|Esdragole|Esdragon|Estragenole|Estragol|Estragol (methylchavicol)|Ether, p-allylphenyl methyl|FEMA No. 2411|Isoanethole|Isoanthethole|Methyl chavicol|Methyl chavicole|Methyl chavicole (estragole)|Methyl-Chavicol||1407-27-8|77525-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020575 https://doi.org/10.22427/NTP-DATA-DTXSID0020575
ERPathway2016 ERPathway2016_920 Estragole 140-67-0 DTXSID0020575 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(CC=C)C=C1 Estragole 140-67-0|Estragole|1-Allyl-4-methoxybenzene|1-Methoxy-4-(2-propen-1-yl)-Benzene|1-Methoxy-4-(2-propen-1-yl)benzene|1-Methoxy-4-(2-propenyl)-Benzene|1-Methoxy-4-(2-propenyl)benzene|1-Methoxy-4-(2-propenyl)benzene, 9CI|1-Methoxy-4-prop-2-enylbenzene|205-427-8|3-(4-Methoxyphenyl)-1-propene|3-(p-Methoxyphenyl)-1-propene|3-(p-Methoxyphenyl)propene|4-06-00-03817|4-alilanisol|4-allyl anisole|4-Allyl-1-methoxybenzene|4-Allylanisol|4-Allylanisole|4-Allylmethoxybenzene|4-Methoxyallylbenzene|Allylphenyl methyl ether, p-|Anisole, p-allyl-|AUSTL 21320|Benzene, 1-methoxy-4-(2-propen-1-yl)-|Benzene, 1-methoxy-4-(2-propenyl)-|Benzene, 1-methoxy, 4-prop-2-enyl|BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL|BRN 1099454|Chavicol methyl ether|Chavicol, methyl-|Chavicol, O-methyl-|Chavicyl methyl ether|EC No.: 205-427-8|EINECS 205-427-8|Esdragol|Esdragole|Esdragon|Estragenole|Estragol|Estragol (methylchavicol)|Ether, p-allylphenyl methyl|FEMA No. 2411|Isoanethole|Isoanthethole|Methyl chavicol|Methyl chavicole|Methyl chavicole (estragole)|Methyl-Chavicol||1407-27-8|77525-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020575 https://doi.org/10.22427/NTP-DATA-DTXSID0020575
ERPathway2016 ERPathway2016_920 Estragole 140-67-0 DTXSID0020575 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(CC=C)C=C1 Estragole 140-67-0|Estragole|1-Allyl-4-methoxybenzene|1-Methoxy-4-(2-propen-1-yl)-Benzene|1-Methoxy-4-(2-propen-1-yl)benzene|1-Methoxy-4-(2-propenyl)-Benzene|1-Methoxy-4-(2-propenyl)benzene|1-Methoxy-4-(2-propenyl)benzene, 9CI|1-Methoxy-4-prop-2-enylbenzene|205-427-8|3-(4-Methoxyphenyl)-1-propene|3-(p-Methoxyphenyl)-1-propene|3-(p-Methoxyphenyl)propene|4-06-00-03817|4-alilanisol|4-allyl anisole|4-Allyl-1-methoxybenzene|4-Allylanisol|4-Allylanisole|4-Allylmethoxybenzene|4-Methoxyallylbenzene|Allylphenyl methyl ether, p-|Anisole, p-allyl-|AUSTL 21320|Benzene, 1-methoxy-4-(2-propen-1-yl)-|Benzene, 1-methoxy-4-(2-propenyl)-|Benzene, 1-methoxy, 4-prop-2-enyl|BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL|BRN 1099454|Chavicol methyl ether|Chavicol, methyl-|Chavicol, O-methyl-|Chavicyl methyl ether|EC No.: 205-427-8|EINECS 205-427-8|Esdragol|Esdragole|Esdragon|Estragenole|Estragol|Estragol (methylchavicol)|Ether, p-allylphenyl methyl|FEMA No. 2411|Isoanethole|Isoanthethole|Methyl chavicol|Methyl chavicole|Methyl chavicole (estragole)|Methyl-Chavicol||1407-27-8|77525-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020575 https://doi.org/10.22427/NTP-DATA-DTXSID0020575
ERPathway2016 ERPathway2016_920 Estragole 140-67-0 DTXSID0020575 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(CC=C)C=C1 Estragole 140-67-0|Estragole|1-Allyl-4-methoxybenzene|1-Methoxy-4-(2-propen-1-yl)-Benzene|1-Methoxy-4-(2-propen-1-yl)benzene|1-Methoxy-4-(2-propenyl)-Benzene|1-Methoxy-4-(2-propenyl)benzene|1-Methoxy-4-(2-propenyl)benzene, 9CI|1-Methoxy-4-prop-2-enylbenzene|205-427-8|3-(4-Methoxyphenyl)-1-propene|3-(p-Methoxyphenyl)-1-propene|3-(p-Methoxyphenyl)propene|4-06-00-03817|4-alilanisol|4-allyl anisole|4-Allyl-1-methoxybenzene|4-Allylanisol|4-Allylanisole|4-Allylmethoxybenzene|4-Methoxyallylbenzene|Allylphenyl methyl ether, p-|Anisole, p-allyl-|AUSTL 21320|Benzene, 1-methoxy-4-(2-propen-1-yl)-|Benzene, 1-methoxy-4-(2-propenyl)-|Benzene, 1-methoxy, 4-prop-2-enyl|BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL|BRN 1099454|Chavicol methyl ether|Chavicol, methyl-|Chavicol, O-methyl-|Chavicyl methyl ether|EC No.: 205-427-8|EINECS 205-427-8|Esdragol|Esdragole|Esdragon|Estragenole|Estragol|Estragol (methylchavicol)|Ether, p-allylphenyl methyl|FEMA No. 2411|Isoanethole|Isoanthethole|Methyl chavicol|Methyl chavicole|Methyl chavicole (estragole)|Methyl-Chavicol||1407-27-8|77525-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020575 https://doi.org/10.22427/NTP-DATA-DTXSID0020575
ARPathway2016 ARPathway2016_188 Estriol 50-27-1 DTXSID9022366 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 16.9980323262889 uM C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O)[C@@H]2O Estriol 50-27-1|Estriol|(16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol|(16alpha,17beta)-Oestra-1,3,5(10)-triene-3,16,17-triol|(1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,13,14-triol|1,3,5 (10)-Estratriene-3, 16a, 17b-triol|1,3,5-Estratriene-3beta,16alpha,17beta-triol|1,3,5-Oestratriene-3beta,16alpha,17beta-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|16-alpha-Hydroxyestradiol|16-alpha-Hydroxyoestradiol|16-alpha,17-beta-Estriol|16-alpha,17-beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|16alpha-Hydroxy-17beta-estradiol|16alpha-hydroxyestradiol|16alpha-Hydroxyoestradiol|16alpha,17beta-Estriol|16alpha,17beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|3,16-alpha,17-beta-Estriol|3,16-alpha,17-beta-Oestriol|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-estratriene|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-oestratriene|3,16-alpha,17-beta-Trihydroxyestra-1,3,5(10)-triene|3,16-alpha,17-beta-Trihydroxy|1050676-52-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022366
ARPathway2016 ARPathway2016_188 Estriol 50-27-1 DTXSID9022366 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 34.49836612 uM C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O)[C@@H]2O Estriol 50-27-1|Estriol|(16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol|(16alpha,17beta)-Oestra-1,3,5(10)-triene-3,16,17-triol|(1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,13,14-triol|1,3,5 (10)-Estratriene-3, 16a, 17b-triol|1,3,5-Estratriene-3beta,16alpha,17beta-triol|1,3,5-Oestratriene-3beta,16alpha,17beta-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|16-alpha-Hydroxyestradiol|16-alpha-Hydroxyoestradiol|16-alpha,17-beta-Estriol|16-alpha,17-beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|16alpha-Hydroxy-17beta-estradiol|16alpha-hydroxyestradiol|16alpha-Hydroxyoestradiol|16alpha,17beta-Estriol|16alpha,17beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|3,16-alpha,17-beta-Estriol|3,16-alpha,17-beta-Oestriol|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-estratriene|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-oestratriene|3,16-alpha,17-beta-Trihydroxyestra-1,3,5(10)-triene|3,16-alpha,17-beta-Trihydroxy|1050676-52-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022366
ARPathway2016 ARPathway2016_188 Estriol 50-27-1 DTXSID9022366 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.205 Unitless C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O)[C@@H]2O Estriol 50-27-1|Estriol|(16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol|(16alpha,17beta)-Oestra-1,3,5(10)-triene-3,16,17-triol|(1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,13,14-triol|1,3,5 (10)-Estratriene-3, 16a, 17b-triol|1,3,5-Estratriene-3beta,16alpha,17beta-triol|1,3,5-Oestratriene-3beta,16alpha,17beta-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|16-alpha-Hydroxyestradiol|16-alpha-Hydroxyoestradiol|16-alpha,17-beta-Estriol|16-alpha,17-beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|16alpha-Hydroxy-17beta-estradiol|16alpha-hydroxyestradiol|16alpha-Hydroxyoestradiol|16alpha,17beta-Estriol|16alpha,17beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|3,16-alpha,17-beta-Estriol|3,16-alpha,17-beta-Oestriol|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-estratriene|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-oestratriene|3,16-alpha,17-beta-Trihydroxyestra-1,3,5(10)-triene|3,16-alpha,17-beta-Trihydroxy|1050676-52-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022366
ARPathway2016 ARPathway2016_188 Estriol 50-27-1 DTXSID9022366 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O)[C@@H]2O Estriol 50-27-1|Estriol|(16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol|(16alpha,17beta)-Oestra-1,3,5(10)-triene-3,16,17-triol|(1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,13,14-triol|1,3,5 (10)-Estratriene-3, 16a, 17b-triol|1,3,5-Estratriene-3beta,16alpha,17beta-triol|1,3,5-Oestratriene-3beta,16alpha,17beta-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|16-alpha-Hydroxyestradiol|16-alpha-Hydroxyoestradiol|16-alpha,17-beta-Estriol|16-alpha,17-beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|16alpha-Hydroxy-17beta-estradiol|16alpha-hydroxyestradiol|16alpha-Hydroxyoestradiol|16alpha,17beta-Estriol|16alpha,17beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|3,16-alpha,17-beta-Estriol|3,16-alpha,17-beta-Oestriol|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-estratriene|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-oestratriene|3,16-alpha,17-beta-Trihydroxyestra-1,3,5(10)-triene|3,16-alpha,17-beta-Trihydroxy|1050676-52-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022366
ARPathway2016 ARPathway2016_188 Estriol 50-27-1 DTXSID9022366 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O)[C@@H]2O Estriol 50-27-1|Estriol|(16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol|(16alpha,17beta)-Oestra-1,3,5(10)-triene-3,16,17-triol|(1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,13,14-triol|1,3,5 (10)-Estratriene-3, 16a, 17b-triol|1,3,5-Estratriene-3beta,16alpha,17beta-triol|1,3,5-Oestratriene-3beta,16alpha,17beta-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|16-alpha-Hydroxyestradiol|16-alpha-Hydroxyoestradiol|16-alpha,17-beta-Estriol|16-alpha,17-beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|16alpha-Hydroxy-17beta-estradiol|16alpha-hydroxyestradiol|16alpha-Hydroxyoestradiol|16alpha,17beta-Estriol|16alpha,17beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|3,16-alpha,17-beta-Estriol|3,16-alpha,17-beta-Oestriol|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-estratriene|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-oestratriene|3,16-alpha,17-beta-Trihydroxyestra-1,3,5(10)-triene|3,16-alpha,17-beta-Trihydroxy|1050676-52-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022366
ARPathway2016 ARPathway2016_188 Estriol 50-27-1 DTXSID9022366 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O)[C@@H]2O Estriol 50-27-1|Estriol|(16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol|(16alpha,17beta)-Oestra-1,3,5(10)-triene-3,16,17-triol|(1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,13,14-triol|1,3,5 (10)-Estratriene-3, 16a, 17b-triol|1,3,5-Estratriene-3beta,16alpha,17beta-triol|1,3,5-Oestratriene-3beta,16alpha,17beta-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|16-alpha-Hydroxyestradiol|16-alpha-Hydroxyoestradiol|16-alpha,17-beta-Estriol|16-alpha,17-beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|16alpha-Hydroxy-17beta-estradiol|16alpha-hydroxyestradiol|16alpha-Hydroxyoestradiol|16alpha,17beta-Estriol|16alpha,17beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|3,16-alpha,17-beta-Estriol|3,16-alpha,17-beta-Oestriol|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-estratriene|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-oestratriene|3,16-alpha,17-beta-Trihydroxyestra-1,3,5(10)-triene|3,16-alpha,17-beta-Trihydroxy|1050676-52-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022366
ERPathway2016 ERPathway2016_151 Estriol 50-27-1 DTXSID9022366 Agonist ER Pathway Model, Antagonist AC50 0.033688901849874 uM C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O)[C@@H]2O Estriol 50-27-1|Estriol|(16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol|(16alpha,17beta)-Oestra-1,3,5(10)-triene-3,16,17-triol|(1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,13,14-triol|1,3,5 (10)-Estratriene-3, 16a, 17b-triol|1,3,5-Estratriene-3beta,16alpha,17beta-triol|1,3,5-Oestratriene-3beta,16alpha,17beta-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|16-alpha-Hydroxyestradiol|16-alpha-Hydroxyoestradiol|16-alpha,17-beta-Estriol|16-alpha,17-beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|16alpha-Hydroxy-17beta-estradiol|16alpha-hydroxyestradiol|16alpha-Hydroxyoestradiol|16alpha,17beta-Estriol|16alpha,17beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|3,16-alpha,17-beta-Estriol|3,16-alpha,17-beta-Oestriol|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-estratriene|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-oestratriene|3,16-alpha,17-beta-Trihydroxyestra-1,3,5(10)-triene|3,16-alpha,17-beta-Trihydroxy|1050676-52-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022366
ERPathway2016 ERPathway2016_151 Estriol 50-27-1 DTXSID9022366 Agonist ER Pathway Model, Antagonist ACC 0.000254117722374131 uM C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O)[C@@H]2O Estriol 50-27-1|Estriol|(16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol|(16alpha,17beta)-Oestra-1,3,5(10)-triene-3,16,17-triol|(1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,13,14-triol|1,3,5 (10)-Estratriene-3, 16a, 17b-triol|1,3,5-Estratriene-3beta,16alpha,17beta-triol|1,3,5-Oestratriene-3beta,16alpha,17beta-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|16-alpha-Hydroxyestradiol|16-alpha-Hydroxyoestradiol|16-alpha,17-beta-Estriol|16-alpha,17-beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|16alpha-Hydroxy-17beta-estradiol|16alpha-hydroxyestradiol|16alpha-Hydroxyoestradiol|16alpha,17beta-Estriol|16alpha,17beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|3,16-alpha,17-beta-Estriol|3,16-alpha,17-beta-Oestriol|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-estratriene|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-oestratriene|3,16-alpha,17-beta-Trihydroxyestra-1,3,5(10)-triene|3,16-alpha,17-beta-Trihydroxy|1050676-52-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022366
ERPathway2016 ERPathway2016_151 Estriol 50-27-1 DTXSID9022366 Agonist ER Pathway Model, Agonist Model Score 0.786 Unitless C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O)[C@@H]2O Estriol 50-27-1|Estriol|(16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol|(16alpha,17beta)-Oestra-1,3,5(10)-triene-3,16,17-triol|(1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,13,14-triol|1,3,5 (10)-Estratriene-3, 16a, 17b-triol|1,3,5-Estratriene-3beta,16alpha,17beta-triol|1,3,5-Oestratriene-3beta,16alpha,17beta-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|16-alpha-Hydroxyestradiol|16-alpha-Hydroxyoestradiol|16-alpha,17-beta-Estriol|16-alpha,17-beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|16alpha-Hydroxy-17beta-estradiol|16alpha-hydroxyestradiol|16alpha-Hydroxyoestradiol|16alpha,17beta-Estriol|16alpha,17beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|3,16-alpha,17-beta-Estriol|3,16-alpha,17-beta-Oestriol|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-estratriene|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-oestratriene|3,16-alpha,17-beta-Trihydroxyestra-1,3,5(10)-triene|3,16-alpha,17-beta-Trihydroxy|1050676-52-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022366
ERPathway2016 ERPathway2016_151 Estriol 50-27-1 DTXSID9022366 Agonist ER Pathway Model, Antagonist Model Score 0.0122 Unitless C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O)[C@@H]2O Estriol 50-27-1|Estriol|(16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol|(16alpha,17beta)-Oestra-1,3,5(10)-triene-3,16,17-triol|(1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,13,14-triol|1,3,5 (10)-Estratriene-3, 16a, 17b-triol|1,3,5-Estratriene-3beta,16alpha,17beta-triol|1,3,5-Oestratriene-3beta,16alpha,17beta-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|16-alpha-Hydroxyestradiol|16-alpha-Hydroxyoestradiol|16-alpha,17-beta-Estriol|16-alpha,17-beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|16alpha-Hydroxy-17beta-estradiol|16alpha-hydroxyestradiol|16alpha-Hydroxyoestradiol|16alpha,17beta-Estriol|16alpha,17beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|3,16-alpha,17-beta-Estriol|3,16-alpha,17-beta-Oestriol|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-estratriene|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-oestratriene|3,16-alpha,17-beta-Trihydroxyestra-1,3,5(10)-triene|3,16-alpha,17-beta-Trihydroxy|1050676-52-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022366
ERPathway2016 ERPathway2016_151 Estriol 50-27-1 DTXSID9022366 Agonist ER Pathway Model, Agonist Call Inactive Unitless C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O)[C@@H]2O Estriol 50-27-1|Estriol|(16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol|(16alpha,17beta)-Oestra-1,3,5(10)-triene-3,16,17-triol|(1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,13,14-triol|1,3,5 (10)-Estratriene-3, 16a, 17b-triol|1,3,5-Estratriene-3beta,16alpha,17beta-triol|1,3,5-Oestratriene-3beta,16alpha,17beta-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|16-alpha-Hydroxyestradiol|16-alpha-Hydroxyoestradiol|16-alpha,17-beta-Estriol|16-alpha,17-beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|16alpha-Hydroxy-17beta-estradiol|16alpha-hydroxyestradiol|16alpha-Hydroxyoestradiol|16alpha,17beta-Estriol|16alpha,17beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|3,16-alpha,17-beta-Estriol|3,16-alpha,17-beta-Oestriol|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-estratriene|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-oestratriene|3,16-alpha,17-beta-Trihydroxyestra-1,3,5(10)-triene|3,16-alpha,17-beta-Trihydroxy|1050676-52-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022366
ERPathway2016 ERPathway2016_151 Estriol 50-27-1 DTXSID9022366 Agonist ER Pathway Model, Antagonist Call Active Unitless C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O)[C@@H]2O Estriol 50-27-1|Estriol|(16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol|(16alpha,17beta)-Oestra-1,3,5(10)-triene-3,16,17-triol|(1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,13,14-triol|1,3,5 (10)-Estratriene-3, 16a, 17b-triol|1,3,5-Estratriene-3beta,16alpha,17beta-triol|1,3,5-Oestratriene-3beta,16alpha,17beta-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol|16-alpha-Hydroxyestradiol|16-alpha-Hydroxyoestradiol|16-alpha,17-beta-Estriol|16-alpha,17-beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|16alpha-Hydroxy-17beta-estradiol|16alpha-hydroxyestradiol|16alpha-Hydroxyoestradiol|16alpha,17beta-Estriol|16alpha,17beta-Oestriol|16a-Estriol|16a-Hydroxyestradiol|16a,17b-Estriol|3,16-alpha,17-beta-Estriol|3,16-alpha,17-beta-Oestriol|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-estratriene|3,16-alpha,17-beta-Trihydroxy-delta-1,3,5-oestratriene|3,16-alpha,17-beta-Trihydroxyestra-1,3,5(10)-triene|3,16-alpha,17-beta-Trihydroxy|1050676-52-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022366
ARPathway2016 ARPathway2016_370 Estrone 53-16-7 DTXSID4022367 3.0 Agonist AR Pathway Model, Antagonist ACC 1.07058191929083 uM [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone 53-16-7|Estrone|(+)-Estrone|(1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one|(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one|1,3,5(10)-Estratrien-3-ol-17-one|1,3,5(10)-Oestratrien-3-ol-17-one|3-08-00-01171|3-Hydroxy-17-keto-estra-1,3,5-triene|3-Hydroxy-17-keto-oestra-1,3,5-triene|3-Hydroxy-oestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-triene-17-one|3-Hydroxyoestra-1,3,5(10)-trien-17-one|Aquacrine|BRN 1915077|Crinovaryl|Cristallovar|Crystogen|D1,3,5(10)-Estratrien-3-ol-17-one|delta-1,3,5-estratrien-3-beta-ol-17-one|delta-1,3,5-Estratrien-3beta-ol-17-one|delta-1,3,5-oestratrien-3-beta-ol-17-one|delta-1,3,5-Oestratrien-3beta-ol-17-one|Destrone|Disynformon|E1|EINECS 200-164-5|Endofolliculina|Estra-1,3,5(10)-trien-17-one, 3-hydroxy-|Estrogenic substance|estrona|Estrone (medication)|Estrone-A|Estronum|Estrovarin|Estrugenone|Estrusol|Fem-O-Gen|Femestrone Inj.|Femestrone injection|Femidyn||37242-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022367
ARPathway2016 ARPathway2016_370 Estrone 53-16-7 DTXSID4022367 3.0 Agonist AR Pathway Model, Antagonist AC50 1.35312260815146 uM [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone 53-16-7|Estrone|(+)-Estrone|(1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one|(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one|1,3,5(10)-Estratrien-3-ol-17-one|1,3,5(10)-Oestratrien-3-ol-17-one|3-08-00-01171|3-Hydroxy-17-keto-estra-1,3,5-triene|3-Hydroxy-17-keto-oestra-1,3,5-triene|3-Hydroxy-oestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-triene-17-one|3-Hydroxyoestra-1,3,5(10)-trien-17-one|Aquacrine|BRN 1915077|Crinovaryl|Cristallovar|Crystogen|D1,3,5(10)-Estratrien-3-ol-17-one|delta-1,3,5-estratrien-3-beta-ol-17-one|delta-1,3,5-Estratrien-3beta-ol-17-one|delta-1,3,5-oestratrien-3-beta-ol-17-one|delta-1,3,5-Oestratrien-3beta-ol-17-one|Destrone|Disynformon|E1|EINECS 200-164-5|Endofolliculina|Estra-1,3,5(10)-trien-17-one, 3-hydroxy-|Estrogenic substance|estrona|Estrone (medication)|Estrone-A|Estronum|Estrovarin|Estrugenone|Estrusol|Fem-O-Gen|Femestrone Inj.|Femestrone injection|Femidyn||37242-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022367
ARPathway2016 ARPathway2016_370 Estrone 53-16-7 DTXSID4022367 3.0 Agonist AR Pathway Model, Antagonist Model Score 0.205 Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone 53-16-7|Estrone|(+)-Estrone|(1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one|(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one|1,3,5(10)-Estratrien-3-ol-17-one|1,3,5(10)-Oestratrien-3-ol-17-one|3-08-00-01171|3-Hydroxy-17-keto-estra-1,3,5-triene|3-Hydroxy-17-keto-oestra-1,3,5-triene|3-Hydroxy-oestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-triene-17-one|3-Hydroxyoestra-1,3,5(10)-trien-17-one|Aquacrine|BRN 1915077|Crinovaryl|Cristallovar|Crystogen|D1,3,5(10)-Estratrien-3-ol-17-one|delta-1,3,5-estratrien-3-beta-ol-17-one|delta-1,3,5-Estratrien-3beta-ol-17-one|delta-1,3,5-oestratrien-3-beta-ol-17-one|delta-1,3,5-Oestratrien-3beta-ol-17-one|Destrone|Disynformon|E1|EINECS 200-164-5|Endofolliculina|Estra-1,3,5(10)-trien-17-one, 3-hydroxy-|Estrogenic substance|estrona|Estrone (medication)|Estrone-A|Estronum|Estrovarin|Estrugenone|Estrusol|Fem-O-Gen|Femestrone Inj.|Femestrone injection|Femidyn||37242-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022367
ARPathway2016 ARPathway2016_370 Estrone 53-16-7 DTXSID4022367 3.0 Agonist AR Pathway Model, Agonist Model Score 0.284 Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone 53-16-7|Estrone|(+)-Estrone|(1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one|(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one|1,3,5(10)-Estratrien-3-ol-17-one|1,3,5(10)-Oestratrien-3-ol-17-one|3-08-00-01171|3-Hydroxy-17-keto-estra-1,3,5-triene|3-Hydroxy-17-keto-oestra-1,3,5-triene|3-Hydroxy-oestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-triene-17-one|3-Hydroxyoestra-1,3,5(10)-trien-17-one|Aquacrine|BRN 1915077|Crinovaryl|Cristallovar|Crystogen|D1,3,5(10)-Estratrien-3-ol-17-one|delta-1,3,5-estratrien-3-beta-ol-17-one|delta-1,3,5-Estratrien-3beta-ol-17-one|delta-1,3,5-oestratrien-3-beta-ol-17-one|delta-1,3,5-Oestratrien-3beta-ol-17-one|Destrone|Disynformon|E1|EINECS 200-164-5|Endofolliculina|Estra-1,3,5(10)-trien-17-one, 3-hydroxy-|Estrogenic substance|estrona|Estrone (medication)|Estrone-A|Estronum|Estrovarin|Estrugenone|Estrusol|Fem-O-Gen|Femestrone Inj.|Femestrone injection|Femidyn||37242-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022367
ARPathway2016 ARPathway2016_370 Estrone 53-16-7 DTXSID4022367 3.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone 53-16-7|Estrone|(+)-Estrone|(1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one|(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one|1,3,5(10)-Estratrien-3-ol-17-one|1,3,5(10)-Oestratrien-3-ol-17-one|3-08-00-01171|3-Hydroxy-17-keto-estra-1,3,5-triene|3-Hydroxy-17-keto-oestra-1,3,5-triene|3-Hydroxy-oestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-triene-17-one|3-Hydroxyoestra-1,3,5(10)-trien-17-one|Aquacrine|BRN 1915077|Crinovaryl|Cristallovar|Crystogen|D1,3,5(10)-Estratrien-3-ol-17-one|delta-1,3,5-estratrien-3-beta-ol-17-one|delta-1,3,5-Estratrien-3beta-ol-17-one|delta-1,3,5-oestratrien-3-beta-ol-17-one|delta-1,3,5-Oestratrien-3beta-ol-17-one|Destrone|Disynformon|E1|EINECS 200-164-5|Endofolliculina|Estra-1,3,5(10)-trien-17-one, 3-hydroxy-|Estrogenic substance|estrona|Estrone (medication)|Estrone-A|Estronum|Estrovarin|Estrugenone|Estrusol|Fem-O-Gen|Femestrone Inj.|Femestrone injection|Femidyn||37242-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022367
ARPathway2016 ARPathway2016_370 Estrone 53-16-7 DTXSID4022367 3.0 Agonist AR Pathway Model, Antagonist Call Active Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone 53-16-7|Estrone|(+)-Estrone|(1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one|(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one|1,3,5(10)-Estratrien-3-ol-17-one|1,3,5(10)-Oestratrien-3-ol-17-one|3-08-00-01171|3-Hydroxy-17-keto-estra-1,3,5-triene|3-Hydroxy-17-keto-oestra-1,3,5-triene|3-Hydroxy-oestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-triene-17-one|3-Hydroxyoestra-1,3,5(10)-trien-17-one|Aquacrine|BRN 1915077|Crinovaryl|Cristallovar|Crystogen|D1,3,5(10)-Estratrien-3-ol-17-one|delta-1,3,5-estratrien-3-beta-ol-17-one|delta-1,3,5-Estratrien-3beta-ol-17-one|delta-1,3,5-oestratrien-3-beta-ol-17-one|delta-1,3,5-Oestratrien-3beta-ol-17-one|Destrone|Disynformon|E1|EINECS 200-164-5|Endofolliculina|Estra-1,3,5(10)-trien-17-one, 3-hydroxy-|Estrogenic substance|estrona|Estrone (medication)|Estrone-A|Estronum|Estrovarin|Estrugenone|Estrusol|Fem-O-Gen|Femestrone Inj.|Femestrone injection|Femidyn||37242-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022367
ERPathway2016 ERPathway2016_150 Estrone 53-16-7 DTXSID4022367 Agonist ER Pathway Model, Antagonist AC50 0.00429906611601589 uM [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone 53-16-7|Estrone|(+)-Estrone|(1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one|(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one|1,3,5(10)-Estratrien-3-ol-17-one|1,3,5(10)-Oestratrien-3-ol-17-one|3-08-00-01171|3-Hydroxy-17-keto-estra-1,3,5-triene|3-Hydroxy-17-keto-oestra-1,3,5-triene|3-Hydroxy-oestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-triene-17-one|3-Hydroxyoestra-1,3,5(10)-trien-17-one|Aquacrine|BRN 1915077|Crinovaryl|Cristallovar|Crystogen|D1,3,5(10)-Estratrien-3-ol-17-one|delta-1,3,5-estratrien-3-beta-ol-17-one|delta-1,3,5-Estratrien-3beta-ol-17-one|delta-1,3,5-oestratrien-3-beta-ol-17-one|delta-1,3,5-Oestratrien-3beta-ol-17-one|Destrone|Disynformon|E1|EINECS 200-164-5|Endofolliculina|Estra-1,3,5(10)-trien-17-one, 3-hydroxy-|Estrogenic substance|estrona|Estrone (medication)|Estrone-A|Estronum|Estrovarin|Estrugenone|Estrusol|Fem-O-Gen|Femestrone Inj.|Femestrone injection|Femidyn||37242-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022367
ERPathway2016 ERPathway2016_150 Estrone 53-16-7 DTXSID4022367 Agonist ER Pathway Model, Antagonist ACC 0.00360813455797027 uM [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone 53-16-7|Estrone|(+)-Estrone|(1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one|(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one|1,3,5(10)-Estratrien-3-ol-17-one|1,3,5(10)-Oestratrien-3-ol-17-one|3-08-00-01171|3-Hydroxy-17-keto-estra-1,3,5-triene|3-Hydroxy-17-keto-oestra-1,3,5-triene|3-Hydroxy-oestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-triene-17-one|3-Hydroxyoestra-1,3,5(10)-trien-17-one|Aquacrine|BRN 1915077|Crinovaryl|Cristallovar|Crystogen|D1,3,5(10)-Estratrien-3-ol-17-one|delta-1,3,5-estratrien-3-beta-ol-17-one|delta-1,3,5-Estratrien-3beta-ol-17-one|delta-1,3,5-oestratrien-3-beta-ol-17-one|delta-1,3,5-Oestratrien-3beta-ol-17-one|Destrone|Disynformon|E1|EINECS 200-164-5|Endofolliculina|Estra-1,3,5(10)-trien-17-one, 3-hydroxy-|Estrogenic substance|estrona|Estrone (medication)|Estrone-A|Estronum|Estrovarin|Estrugenone|Estrusol|Fem-O-Gen|Femestrone Inj.|Femestrone injection|Femidyn||37242-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022367
ERPathway2016 ERPathway2016_150 Estrone 53-16-7 DTXSID4022367 Agonist ER Pathway Model, Agonist Model Score 0.807 Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone 53-16-7|Estrone|(+)-Estrone|(1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one|(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one|1,3,5(10)-Estratrien-3-ol-17-one|1,3,5(10)-Oestratrien-3-ol-17-one|3-08-00-01171|3-Hydroxy-17-keto-estra-1,3,5-triene|3-Hydroxy-17-keto-oestra-1,3,5-triene|3-Hydroxy-oestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-triene-17-one|3-Hydroxyoestra-1,3,5(10)-trien-17-one|Aquacrine|BRN 1915077|Crinovaryl|Cristallovar|Crystogen|D1,3,5(10)-Estratrien-3-ol-17-one|delta-1,3,5-estratrien-3-beta-ol-17-one|delta-1,3,5-Estratrien-3beta-ol-17-one|delta-1,3,5-oestratrien-3-beta-ol-17-one|delta-1,3,5-Oestratrien-3beta-ol-17-one|Destrone|Disynformon|E1|EINECS 200-164-5|Endofolliculina|Estra-1,3,5(10)-trien-17-one, 3-hydroxy-|Estrogenic substance|estrona|Estrone (medication)|Estrone-A|Estronum|Estrovarin|Estrugenone|Estrusol|Fem-O-Gen|Femestrone Inj.|Femestrone injection|Femidyn||37242-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022367
ERPathway2016 ERPathway2016_150 Estrone 53-16-7 DTXSID4022367 Agonist ER Pathway Model, Antagonist Model Score 0.00246 Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone 53-16-7|Estrone|(+)-Estrone|(1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one|(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one|1,3,5(10)-Estratrien-3-ol-17-one|1,3,5(10)-Oestratrien-3-ol-17-one|3-08-00-01171|3-Hydroxy-17-keto-estra-1,3,5-triene|3-Hydroxy-17-keto-oestra-1,3,5-triene|3-Hydroxy-oestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-triene-17-one|3-Hydroxyoestra-1,3,5(10)-trien-17-one|Aquacrine|BRN 1915077|Crinovaryl|Cristallovar|Crystogen|D1,3,5(10)-Estratrien-3-ol-17-one|delta-1,3,5-estratrien-3-beta-ol-17-one|delta-1,3,5-Estratrien-3beta-ol-17-one|delta-1,3,5-oestratrien-3-beta-ol-17-one|delta-1,3,5-Oestratrien-3beta-ol-17-one|Destrone|Disynformon|E1|EINECS 200-164-5|Endofolliculina|Estra-1,3,5(10)-trien-17-one, 3-hydroxy-|Estrogenic substance|estrona|Estrone (medication)|Estrone-A|Estronum|Estrovarin|Estrugenone|Estrusol|Fem-O-Gen|Femestrone Inj.|Femestrone injection|Femidyn||37242-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022367
ERPathway2016 ERPathway2016_150 Estrone 53-16-7 DTXSID4022367 Agonist ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone 53-16-7|Estrone|(+)-Estrone|(1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one|(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one|1,3,5(10)-Estratrien-3-ol-17-one|1,3,5(10)-Oestratrien-3-ol-17-one|3-08-00-01171|3-Hydroxy-17-keto-estra-1,3,5-triene|3-Hydroxy-17-keto-oestra-1,3,5-triene|3-Hydroxy-oestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-triene-17-one|3-Hydroxyoestra-1,3,5(10)-trien-17-one|Aquacrine|BRN 1915077|Crinovaryl|Cristallovar|Crystogen|D1,3,5(10)-Estratrien-3-ol-17-one|delta-1,3,5-estratrien-3-beta-ol-17-one|delta-1,3,5-Estratrien-3beta-ol-17-one|delta-1,3,5-oestratrien-3-beta-ol-17-one|delta-1,3,5-Oestratrien-3beta-ol-17-one|Destrone|Disynformon|E1|EINECS 200-164-5|Endofolliculina|Estra-1,3,5(10)-trien-17-one, 3-hydroxy-|Estrogenic substance|estrona|Estrone (medication)|Estrone-A|Estronum|Estrovarin|Estrugenone|Estrusol|Fem-O-Gen|Femestrone Inj.|Femestrone injection|Femidyn||37242-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022367
ERPathway2016 ERPathway2016_150 Estrone 53-16-7 DTXSID4022367 Agonist ER Pathway Model, Antagonist Call Active Unitless [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 Estrone 53-16-7|Estrone|(+)-Estrone|(1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one|(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one|1,3,5(10)-Estratrien-3-ol-17-one|1,3,5(10)-Oestratrien-3-ol-17-one|3-08-00-01171|3-Hydroxy-17-keto-estra-1,3,5-triene|3-Hydroxy-17-keto-oestra-1,3,5-triene|3-Hydroxy-oestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-trien-17-one|3-Hydroxyestra-1,3,5(10)-triene-17-one|3-Hydroxyoestra-1,3,5(10)-trien-17-one|Aquacrine|BRN 1915077|Crinovaryl|Cristallovar|Crystogen|D1,3,5(10)-Estratrien-3-ol-17-one|delta-1,3,5-estratrien-3-beta-ol-17-one|delta-1,3,5-Estratrien-3beta-ol-17-one|delta-1,3,5-oestratrien-3-beta-ol-17-one|delta-1,3,5-Oestratrien-3beta-ol-17-one|Destrone|Disynformon|E1|EINECS 200-164-5|Endofolliculina|Estra-1,3,5(10)-trien-17-one, 3-hydroxy-|Estrogenic substance|estrona|Estrone (medication)|Estrone-A|Estronum|Estrovarin|Estrugenone|Estrusol|Fem-O-Gen|Femestrone Inj.|Femestrone injection|Femidyn||37242-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022367
ARPathway2016 ARPathway2016_209 Ethalfluralin 55283-68-6 DTXSID8032386 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist AC50 50.4129857730245 uM CCN(CC(C)=C)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Ethalfluralin 55283-68-6|Ethalfluralin|Benzenamine, N-ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)-|Benzenamine, N-ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)-|BRN 2907084|Buvilan|Caswell No. 453B|Compound 94961|EC No.: 259-564-3|Edge|EINECS 259-564-3|EL 161|EPA Pesticide Chemical Code 113101|Ethalfluralin|MRID 49385902|N-Ethyl-alpha,alpha,alpha-trifluoro-N-(2-methylallyl)-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)aniline|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methylallyl)-2,6-dinitro-4-trifluoromethylaniline|p-Toluidine, 2,6-dinitro-N-ethyl-N-(2-methyl-2-propenyl)-alpha,alpha,alpha-trifluoro-|Sonalan|UNII-51DKA727XQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032386
ARPathway2016 ARPathway2016_209 Ethalfluralin 55283-68-6 DTXSID8032386 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist ACC 96.9303544267474 uM CCN(CC(C)=C)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Ethalfluralin 55283-68-6|Ethalfluralin|Benzenamine, N-ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)-|Benzenamine, N-ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)-|BRN 2907084|Buvilan|Caswell No. 453B|Compound 94961|EC No.: 259-564-3|Edge|EINECS 259-564-3|EL 161|EPA Pesticide Chemical Code 113101|Ethalfluralin|MRID 49385902|N-Ethyl-alpha,alpha,alpha-trifluoro-N-(2-methylallyl)-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)aniline|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methylallyl)-2,6-dinitro-4-trifluoromethylaniline|p-Toluidine, 2,6-dinitro-N-ethyl-N-(2-methyl-2-propenyl)-alpha,alpha,alpha-trifluoro-|Sonalan|UNII-51DKA727XQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032386
ARPathway2016 ARPathway2016_209 Ethalfluralin 55283-68-6 DTXSID8032386 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0.0262 Unitless CCN(CC(C)=C)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Ethalfluralin 55283-68-6|Ethalfluralin|Benzenamine, N-ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)-|Benzenamine, N-ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)-|BRN 2907084|Buvilan|Caswell No. 453B|Compound 94961|EC No.: 259-564-3|Edge|EINECS 259-564-3|EL 161|EPA Pesticide Chemical Code 113101|Ethalfluralin|MRID 49385902|N-Ethyl-alpha,alpha,alpha-trifluoro-N-(2-methylallyl)-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)aniline|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methylallyl)-2,6-dinitro-4-trifluoromethylaniline|p-Toluidine, 2,6-dinitro-N-ethyl-N-(2-methyl-2-propenyl)-alpha,alpha,alpha-trifluoro-|Sonalan|UNII-51DKA727XQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032386
ARPathway2016 ARPathway2016_209 Ethalfluralin 55283-68-6 DTXSID8032386 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CCN(CC(C)=C)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Ethalfluralin 55283-68-6|Ethalfluralin|Benzenamine, N-ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)-|Benzenamine, N-ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)-|BRN 2907084|Buvilan|Caswell No. 453B|Compound 94961|EC No.: 259-564-3|Edge|EINECS 259-564-3|EL 161|EPA Pesticide Chemical Code 113101|Ethalfluralin|MRID 49385902|N-Ethyl-alpha,alpha,alpha-trifluoro-N-(2-methylallyl)-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)aniline|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methylallyl)-2,6-dinitro-4-trifluoromethylaniline|p-Toluidine, 2,6-dinitro-N-ethyl-N-(2-methyl-2-propenyl)-alpha,alpha,alpha-trifluoro-|Sonalan|UNII-51DKA727XQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032386
ARPathway2016 ARPathway2016_209 Ethalfluralin 55283-68-6 DTXSID8032386 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Active Unitless CCN(CC(C)=C)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Ethalfluralin 55283-68-6|Ethalfluralin|Benzenamine, N-ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)-|Benzenamine, N-ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)-|BRN 2907084|Buvilan|Caswell No. 453B|Compound 94961|EC No.: 259-564-3|Edge|EINECS 259-564-3|EL 161|EPA Pesticide Chemical Code 113101|Ethalfluralin|MRID 49385902|N-Ethyl-alpha,alpha,alpha-trifluoro-N-(2-methylallyl)-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)aniline|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methylallyl)-2,6-dinitro-4-trifluoromethylaniline|p-Toluidine, 2,6-dinitro-N-ethyl-N-(2-methyl-2-propenyl)-alpha,alpha,alpha-trifluoro-|Sonalan|UNII-51DKA727XQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032386
ARPathway2016 ARPathway2016_209 Ethalfluralin 55283-68-6 DTXSID8032386 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CCN(CC(C)=C)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Ethalfluralin 55283-68-6|Ethalfluralin|Benzenamine, N-ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)-|Benzenamine, N-ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)-|BRN 2907084|Buvilan|Caswell No. 453B|Compound 94961|EC No.: 259-564-3|Edge|EINECS 259-564-3|EL 161|EPA Pesticide Chemical Code 113101|Ethalfluralin|MRID 49385902|N-Ethyl-alpha,alpha,alpha-trifluoro-N-(2-methylallyl)-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)aniline|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methylallyl)-2,6-dinitro-4-trifluoromethylaniline|p-Toluidine, 2,6-dinitro-N-ethyl-N-(2-methyl-2-propenyl)-alpha,alpha,alpha-trifluoro-|Sonalan|UNII-51DKA727XQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032386
ERPathway2016 ERPathway2016_301 Ethalfluralin 55283-68-6 DTXSID8032386 ER Pathway Model, Antagonist AC50 29.3830159972709 uM CCN(CC(C)=C)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Ethalfluralin 55283-68-6|Ethalfluralin|Benzenamine, N-ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)-|Benzenamine, N-ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)-|BRN 2907084|Buvilan|Caswell No. 453B|Compound 94961|EC No.: 259-564-3|Edge|EINECS 259-564-3|EL 161|EPA Pesticide Chemical Code 113101|Ethalfluralin|MRID 49385902|N-Ethyl-alpha,alpha,alpha-trifluoro-N-(2-methylallyl)-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)aniline|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methylallyl)-2,6-dinitro-4-trifluoromethylaniline|p-Toluidine, 2,6-dinitro-N-ethyl-N-(2-methyl-2-propenyl)-alpha,alpha,alpha-trifluoro-|Sonalan|UNII-51DKA727XQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032386
ERPathway2016 ERPathway2016_301 Ethalfluralin 55283-68-6 DTXSID8032386 ER Pathway Model, Antagonist ACC 18.4093354385936 uM CCN(CC(C)=C)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Ethalfluralin 55283-68-6|Ethalfluralin|Benzenamine, N-ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)-|Benzenamine, N-ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)-|BRN 2907084|Buvilan|Caswell No. 453B|Compound 94961|EC No.: 259-564-3|Edge|EINECS 259-564-3|EL 161|EPA Pesticide Chemical Code 113101|Ethalfluralin|MRID 49385902|N-Ethyl-alpha,alpha,alpha-trifluoro-N-(2-methylallyl)-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)aniline|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methylallyl)-2,6-dinitro-4-trifluoromethylaniline|p-Toluidine, 2,6-dinitro-N-ethyl-N-(2-methyl-2-propenyl)-alpha,alpha,alpha-trifluoro-|Sonalan|UNII-51DKA727XQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032386
ERPathway2016 ERPathway2016_301 Ethalfluralin 55283-68-6 DTXSID8032386 ER Pathway Model, Agonist Model Score 0.0346 Unitless CCN(CC(C)=C)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Ethalfluralin 55283-68-6|Ethalfluralin|Benzenamine, N-ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)-|Benzenamine, N-ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)-|BRN 2907084|Buvilan|Caswell No. 453B|Compound 94961|EC No.: 259-564-3|Edge|EINECS 259-564-3|EL 161|EPA Pesticide Chemical Code 113101|Ethalfluralin|MRID 49385902|N-Ethyl-alpha,alpha,alpha-trifluoro-N-(2-methylallyl)-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)aniline|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methylallyl)-2,6-dinitro-4-trifluoromethylaniline|p-Toluidine, 2,6-dinitro-N-ethyl-N-(2-methyl-2-propenyl)-alpha,alpha,alpha-trifluoro-|Sonalan|UNII-51DKA727XQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032386
ERPathway2016 ERPathway2016_301 Ethalfluralin 55283-68-6 DTXSID8032386 ER Pathway Model, Antagonist Model Score 0 Unitless CCN(CC(C)=C)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Ethalfluralin 55283-68-6|Ethalfluralin|Benzenamine, N-ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)-|Benzenamine, N-ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)-|BRN 2907084|Buvilan|Caswell No. 453B|Compound 94961|EC No.: 259-564-3|Edge|EINECS 259-564-3|EL 161|EPA Pesticide Chemical Code 113101|Ethalfluralin|MRID 49385902|N-Ethyl-alpha,alpha,alpha-trifluoro-N-(2-methylallyl)-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)aniline|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methylallyl)-2,6-dinitro-4-trifluoromethylaniline|p-Toluidine, 2,6-dinitro-N-ethyl-N-(2-methyl-2-propenyl)-alpha,alpha,alpha-trifluoro-|Sonalan|UNII-51DKA727XQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032386
ERPathway2016 ERPathway2016_301 Ethalfluralin 55283-68-6 DTXSID8032386 ER Pathway Model, Agonist Call Inactive Unitless CCN(CC(C)=C)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Ethalfluralin 55283-68-6|Ethalfluralin|Benzenamine, N-ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)-|Benzenamine, N-ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)-|BRN 2907084|Buvilan|Caswell No. 453B|Compound 94961|EC No.: 259-564-3|Edge|EINECS 259-564-3|EL 161|EPA Pesticide Chemical Code 113101|Ethalfluralin|MRID 49385902|N-Ethyl-alpha,alpha,alpha-trifluoro-N-(2-methylallyl)-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)aniline|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methylallyl)-2,6-dinitro-4-trifluoromethylaniline|p-Toluidine, 2,6-dinitro-N-ethyl-N-(2-methyl-2-propenyl)-alpha,alpha,alpha-trifluoro-|Sonalan|UNII-51DKA727XQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032386
ERPathway2016 ERPathway2016_301 Ethalfluralin 55283-68-6 DTXSID8032386 ER Pathway Model, Antagonist Call Active Unitless CCN(CC(C)=C)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Ethalfluralin 55283-68-6|Ethalfluralin|Benzenamine, N-ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)-|Benzenamine, N-ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)-|BRN 2907084|Buvilan|Caswell No. 453B|Compound 94961|EC No.: 259-564-3|Edge|EINECS 259-564-3|EL 161|EPA Pesticide Chemical Code 113101|Ethalfluralin|MRID 49385902|N-Ethyl-alpha,alpha,alpha-trifluoro-N-(2-methylallyl)-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)aniline|N-Ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl)benzenamine|N-Ethyl-N-(2-methylallyl)-2,6-dinitro-4-trifluoromethylaniline|p-Toluidine, 2,6-dinitro-N-ethyl-N-(2-methyl-2-propenyl)-alpha,alpha,alpha-trifluoro-|Sonalan|UNII-51DKA727XQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032386
ARPathway2016 ARPathway2016_837 Ethanolamine 141-43-5 DTXSID6022000 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NCCO Ethanolamine 141-43-5|Ethanolamine|1-Amino-2-hydroxyethane|2-Amino-1-ethanol|2-AMINOAETHANOL|2-aminoetanol|2-Aminoetanolo|2-aminoethan-1-ol|2-Aminoethanol|2-aminoethanol C2H7NO|2-Aminoethanol(clariant)|2-Aminoethyl alcohol|2-Ethanolamine|2-hydroxy ethylamine|2-Hydroxyethanamine|2-Hydroxyethylamine|Aethanolamin|Aminoethanol|b-Aminoethanol|b-Aminoethyl alcohol|b-Ethanolamine|b-Hydroxyethylamine|beta-aminoethanol|beta-aminoethyl alcohol|beta-ethanolamine|beta-Hydroxyethylamine|Caswell No. 426|Colamine|EINECS 205-483-3|Envision Conditioner PDD 9020|EPA Pesticide Chemical Code 011601|ETA|Etanolamina|Ethanol, 2-amino|Ethanol, 2-amino-|Ethanolamine, Pure|ETHYLAMINE COLAMINE|Ethylolamine|Glycinol|H-Glycinol|Hea|Kolamin|MEA|MEA-LCI|Mono Ethanol Amine|Monoaethanolamin|Monoethanolamine|Olamine|Seramine|Thiofaco M-50|UN 2491|UNII-5KV86114PT|USAF EK-1597|b-Aminoethanol|b-Aminoethyl alcohol|b-Ethanolamine|b-Hydroxyethylamine|2122854-11-7|2169804-94-6|9007-33-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022000 https://doi.org/10.22427/NTP-DATA-DTXSID6022000
ARPathway2016 ARPathway2016_837 Ethanolamine 141-43-5 DTXSID6022000 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NCCO Ethanolamine 141-43-5|Ethanolamine|1-Amino-2-hydroxyethane|2-Amino-1-ethanol|2-AMINOAETHANOL|2-aminoetanol|2-Aminoetanolo|2-aminoethan-1-ol|2-Aminoethanol|2-aminoethanol C2H7NO|2-Aminoethanol(clariant)|2-Aminoethyl alcohol|2-Ethanolamine|2-hydroxy ethylamine|2-Hydroxyethanamine|2-Hydroxyethylamine|Aethanolamin|Aminoethanol|b-Aminoethanol|b-Aminoethyl alcohol|b-Ethanolamine|b-Hydroxyethylamine|beta-aminoethanol|beta-aminoethyl alcohol|beta-ethanolamine|beta-Hydroxyethylamine|Caswell No. 426|Colamine|EINECS 205-483-3|Envision Conditioner PDD 9020|EPA Pesticide Chemical Code 011601|ETA|Etanolamina|Ethanol, 2-amino|Ethanol, 2-amino-|Ethanolamine, Pure|ETHYLAMINE COLAMINE|Ethylolamine|Glycinol|H-Glycinol|Hea|Kolamin|MEA|MEA-LCI|Mono Ethanol Amine|Monoaethanolamin|Monoethanolamine|Olamine|Seramine|Thiofaco M-50|UN 2491|UNII-5KV86114PT|USAF EK-1597|b-Aminoethanol|b-Aminoethyl alcohol|b-Ethanolamine|b-Hydroxyethylamine|2122854-11-7|2169804-94-6|9007-33-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022000 https://doi.org/10.22427/NTP-DATA-DTXSID6022000
ARPathway2016 ARPathway2016_837 Ethanolamine 141-43-5 DTXSID6022000 0.0 AR Pathway Model, Agonist Call Inactive Unitless NCCO Ethanolamine 141-43-5|Ethanolamine|1-Amino-2-hydroxyethane|2-Amino-1-ethanol|2-AMINOAETHANOL|2-aminoetanol|2-Aminoetanolo|2-aminoethan-1-ol|2-Aminoethanol|2-aminoethanol C2H7NO|2-Aminoethanol(clariant)|2-Aminoethyl alcohol|2-Ethanolamine|2-hydroxy ethylamine|2-Hydroxyethanamine|2-Hydroxyethylamine|Aethanolamin|Aminoethanol|b-Aminoethanol|b-Aminoethyl alcohol|b-Ethanolamine|b-Hydroxyethylamine|beta-aminoethanol|beta-aminoethyl alcohol|beta-ethanolamine|beta-Hydroxyethylamine|Caswell No. 426|Colamine|EINECS 205-483-3|Envision Conditioner PDD 9020|EPA Pesticide Chemical Code 011601|ETA|Etanolamina|Ethanol, 2-amino|Ethanol, 2-amino-|Ethanolamine, Pure|ETHYLAMINE COLAMINE|Ethylolamine|Glycinol|H-Glycinol|Hea|Kolamin|MEA|MEA-LCI|Mono Ethanol Amine|Monoaethanolamin|Monoethanolamine|Olamine|Seramine|Thiofaco M-50|UN 2491|UNII-5KV86114PT|USAF EK-1597|b-Aminoethanol|b-Aminoethyl alcohol|b-Ethanolamine|b-Hydroxyethylamine|2122854-11-7|2169804-94-6|9007-33-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022000 https://doi.org/10.22427/NTP-DATA-DTXSID6022000
ARPathway2016 ARPathway2016_837 Ethanolamine 141-43-5 DTXSID6022000 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NCCO Ethanolamine 141-43-5|Ethanolamine|1-Amino-2-hydroxyethane|2-Amino-1-ethanol|2-AMINOAETHANOL|2-aminoetanol|2-Aminoetanolo|2-aminoethan-1-ol|2-Aminoethanol|2-aminoethanol C2H7NO|2-Aminoethanol(clariant)|2-Aminoethyl alcohol|2-Ethanolamine|2-hydroxy ethylamine|2-Hydroxyethanamine|2-Hydroxyethylamine|Aethanolamin|Aminoethanol|b-Aminoethanol|b-Aminoethyl alcohol|b-Ethanolamine|b-Hydroxyethylamine|beta-aminoethanol|beta-aminoethyl alcohol|beta-ethanolamine|beta-Hydroxyethylamine|Caswell No. 426|Colamine|EINECS 205-483-3|Envision Conditioner PDD 9020|EPA Pesticide Chemical Code 011601|ETA|Etanolamina|Ethanol, 2-amino|Ethanol, 2-amino-|Ethanolamine, Pure|ETHYLAMINE COLAMINE|Ethylolamine|Glycinol|H-Glycinol|Hea|Kolamin|MEA|MEA-LCI|Mono Ethanol Amine|Monoaethanolamin|Monoethanolamine|Olamine|Seramine|Thiofaco M-50|UN 2491|UNII-5KV86114PT|USAF EK-1597|b-Aminoethanol|b-Aminoethyl alcohol|b-Ethanolamine|b-Hydroxyethylamine|2122854-11-7|2169804-94-6|9007-33-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022000 https://doi.org/10.22427/NTP-DATA-DTXSID6022000
ERPathway2016 ERPathway2016_1300 Ethanolamine 141-43-5 DTXSID6022000 ER Pathway Model, Agonist Model Score 0 Unitless NCCO Ethanolamine 141-43-5|Ethanolamine|1-Amino-2-hydroxyethane|2-Amino-1-ethanol|2-AMINOAETHANOL|2-aminoetanol|2-Aminoetanolo|2-aminoethan-1-ol|2-Aminoethanol|2-aminoethanol C2H7NO|2-Aminoethanol(clariant)|2-Aminoethyl alcohol|2-Ethanolamine|2-hydroxy ethylamine|2-Hydroxyethanamine|2-Hydroxyethylamine|Aethanolamin|Aminoethanol|b-Aminoethanol|b-Aminoethyl alcohol|b-Ethanolamine|b-Hydroxyethylamine|beta-aminoethanol|beta-aminoethyl alcohol|beta-ethanolamine|beta-Hydroxyethylamine|Caswell No. 426|Colamine|EINECS 205-483-3|Envision Conditioner PDD 9020|EPA Pesticide Chemical Code 011601|ETA|Etanolamina|Ethanol, 2-amino|Ethanol, 2-amino-|Ethanolamine, Pure|ETHYLAMINE COLAMINE|Ethylolamine|Glycinol|H-Glycinol|Hea|Kolamin|MEA|MEA-LCI|Mono Ethanol Amine|Monoaethanolamin|Monoethanolamine|Olamine|Seramine|Thiofaco M-50|UN 2491|UNII-5KV86114PT|USAF EK-1597|b-Aminoethanol|b-Aminoethyl alcohol|b-Ethanolamine|b-Hydroxyethylamine|2122854-11-7|2169804-94-6|9007-33-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022000 https://doi.org/10.22427/NTP-DATA-DTXSID6022000
ERPathway2016 ERPathway2016_1300 Ethanolamine 141-43-5 DTXSID6022000 ER Pathway Model, Antagonist Model Score 0 Unitless NCCO Ethanolamine 141-43-5|Ethanolamine|1-Amino-2-hydroxyethane|2-Amino-1-ethanol|2-AMINOAETHANOL|2-aminoetanol|2-Aminoetanolo|2-aminoethan-1-ol|2-Aminoethanol|2-aminoethanol C2H7NO|2-Aminoethanol(clariant)|2-Aminoethyl alcohol|2-Ethanolamine|2-hydroxy ethylamine|2-Hydroxyethanamine|2-Hydroxyethylamine|Aethanolamin|Aminoethanol|b-Aminoethanol|b-Aminoethyl alcohol|b-Ethanolamine|b-Hydroxyethylamine|beta-aminoethanol|beta-aminoethyl alcohol|beta-ethanolamine|beta-Hydroxyethylamine|Caswell No. 426|Colamine|EINECS 205-483-3|Envision Conditioner PDD 9020|EPA Pesticide Chemical Code 011601|ETA|Etanolamina|Ethanol, 2-amino|Ethanol, 2-amino-|Ethanolamine, Pure|ETHYLAMINE COLAMINE|Ethylolamine|Glycinol|H-Glycinol|Hea|Kolamin|MEA|MEA-LCI|Mono Ethanol Amine|Monoaethanolamin|Monoethanolamine|Olamine|Seramine|Thiofaco M-50|UN 2491|UNII-5KV86114PT|USAF EK-1597|b-Aminoethanol|b-Aminoethyl alcohol|b-Ethanolamine|b-Hydroxyethylamine|2122854-11-7|2169804-94-6|9007-33-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022000 https://doi.org/10.22427/NTP-DATA-DTXSID6022000
ERPathway2016 ERPathway2016_1300 Ethanolamine 141-43-5 DTXSID6022000 ER Pathway Model, Agonist Call Inactive Unitless NCCO Ethanolamine 141-43-5|Ethanolamine|1-Amino-2-hydroxyethane|2-Amino-1-ethanol|2-AMINOAETHANOL|2-aminoetanol|2-Aminoetanolo|2-aminoethan-1-ol|2-Aminoethanol|2-aminoethanol C2H7NO|2-Aminoethanol(clariant)|2-Aminoethyl alcohol|2-Ethanolamine|2-hydroxy ethylamine|2-Hydroxyethanamine|2-Hydroxyethylamine|Aethanolamin|Aminoethanol|b-Aminoethanol|b-Aminoethyl alcohol|b-Ethanolamine|b-Hydroxyethylamine|beta-aminoethanol|beta-aminoethyl alcohol|beta-ethanolamine|beta-Hydroxyethylamine|Caswell No. 426|Colamine|EINECS 205-483-3|Envision Conditioner PDD 9020|EPA Pesticide Chemical Code 011601|ETA|Etanolamina|Ethanol, 2-amino|Ethanol, 2-amino-|Ethanolamine, Pure|ETHYLAMINE COLAMINE|Ethylolamine|Glycinol|H-Glycinol|Hea|Kolamin|MEA|MEA-LCI|Mono Ethanol Amine|Monoaethanolamin|Monoethanolamine|Olamine|Seramine|Thiofaco M-50|UN 2491|UNII-5KV86114PT|USAF EK-1597|b-Aminoethanol|b-Aminoethyl alcohol|b-Ethanolamine|b-Hydroxyethylamine|2122854-11-7|2169804-94-6|9007-33-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022000 https://doi.org/10.22427/NTP-DATA-DTXSID6022000
ERPathway2016 ERPathway2016_1300 Ethanolamine 141-43-5 DTXSID6022000 ER Pathway Model, Antagonist Call Inactive Unitless NCCO Ethanolamine 141-43-5|Ethanolamine|1-Amino-2-hydroxyethane|2-Amino-1-ethanol|2-AMINOAETHANOL|2-aminoetanol|2-Aminoetanolo|2-aminoethan-1-ol|2-Aminoethanol|2-aminoethanol C2H7NO|2-Aminoethanol(clariant)|2-Aminoethyl alcohol|2-Ethanolamine|2-hydroxy ethylamine|2-Hydroxyethanamine|2-Hydroxyethylamine|Aethanolamin|Aminoethanol|b-Aminoethanol|b-Aminoethyl alcohol|b-Ethanolamine|b-Hydroxyethylamine|beta-aminoethanol|beta-aminoethyl alcohol|beta-ethanolamine|beta-Hydroxyethylamine|Caswell No. 426|Colamine|EINECS 205-483-3|Envision Conditioner PDD 9020|EPA Pesticide Chemical Code 011601|ETA|Etanolamina|Ethanol, 2-amino|Ethanol, 2-amino-|Ethanolamine, Pure|ETHYLAMINE COLAMINE|Ethylolamine|Glycinol|H-Glycinol|Hea|Kolamin|MEA|MEA-LCI|Mono Ethanol Amine|Monoaethanolamin|Monoethanolamine|Olamine|Seramine|Thiofaco M-50|UN 2491|UNII-5KV86114PT|USAF EK-1597|b-Aminoethanol|b-Aminoethyl alcohol|b-Ethanolamine|b-Hydroxyethylamine|2122854-11-7|2169804-94-6|9007-33-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022000 https://doi.org/10.22427/NTP-DATA-DTXSID6022000
ARPathway2016 ARPathway2016_1332 Ethion 563-12-2 DTXSID2024086 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)SCSP(=S)(OCC)OCC Ethion 563-12-2|Ethion|4-01-00-03093|Bis(S-(diethoxyphosphinothioyl)mercapto)methane|BRN 1804530|Caswell No. 427|Diethion|EINECS 209-242-3|Embathion|EPA Pesticide Chemical Code 058401|Ethanox|Ethodan|Ethopaz|Ethyl methylene phosphorodithioate|Fosfatox E|Hylemax|Hylemox|Methyleen-S,S'-bis(O,O-diethyl-dithiofosfaat)|Methylene-S,S'-bis(O,O-diaethyl-dithiophosphat)|Niagara 1240|Nialate|O,O,O,O-Tetraethyl S,S'-methylenebis(dithiophosphate)|O,O,O',O'-Tetraaethyl-bis(dithiophosphat)|O,O,O',O'-tetraethyl S,S'-methanediyl bis(dithiophosphate)|O,O,O',O'-Tetraethyl S,S'-methylene bis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylene bisphosphorodithioate|O,O,O',O'-Tetraethyl S,S'-methylene di(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebisphosphordithioate|O,O,O',O'-Tetraethyl-S,S'-methylenebisphosphorodithioate|Phosphorodithioic acid, O,O-diethyl ester, S,S-diester with methanedithiol|Phosphorodithioic acid, S,S'-methylene O,O,O',O'-tetraethyl ester|Phosphorodithioic|12676-93-6|12738-47-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024086
ARPathway2016 ARPathway2016_1332 Ethion 563-12-2 DTXSID2024086 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=S)(OCC)SCSP(=S)(OCC)OCC Ethion 563-12-2|Ethion|4-01-00-03093|Bis(S-(diethoxyphosphinothioyl)mercapto)methane|BRN 1804530|Caswell No. 427|Diethion|EINECS 209-242-3|Embathion|EPA Pesticide Chemical Code 058401|Ethanox|Ethodan|Ethopaz|Ethyl methylene phosphorodithioate|Fosfatox E|Hylemax|Hylemox|Methyleen-S,S'-bis(O,O-diethyl-dithiofosfaat)|Methylene-S,S'-bis(O,O-diaethyl-dithiophosphat)|Niagara 1240|Nialate|O,O,O,O-Tetraethyl S,S'-methylenebis(dithiophosphate)|O,O,O',O'-Tetraaethyl-bis(dithiophosphat)|O,O,O',O'-tetraethyl S,S'-methanediyl bis(dithiophosphate)|O,O,O',O'-Tetraethyl S,S'-methylene bis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylene bisphosphorodithioate|O,O,O',O'-Tetraethyl S,S'-methylene di(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebisphosphordithioate|O,O,O',O'-Tetraethyl-S,S'-methylenebisphosphorodithioate|Phosphorodithioic acid, O,O-diethyl ester, S,S-diester with methanedithiol|Phosphorodithioic acid, S,S'-methylene O,O,O',O'-tetraethyl ester|Phosphorodithioic|12676-93-6|12738-47-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024086
ARPathway2016 ARPathway2016_1332 Ethion 563-12-2 DTXSID2024086 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)SCSP(=S)(OCC)OCC Ethion 563-12-2|Ethion|4-01-00-03093|Bis(S-(diethoxyphosphinothioyl)mercapto)methane|BRN 1804530|Caswell No. 427|Diethion|EINECS 209-242-3|Embathion|EPA Pesticide Chemical Code 058401|Ethanox|Ethodan|Ethopaz|Ethyl methylene phosphorodithioate|Fosfatox E|Hylemax|Hylemox|Methyleen-S,S'-bis(O,O-diethyl-dithiofosfaat)|Methylene-S,S'-bis(O,O-diaethyl-dithiophosphat)|Niagara 1240|Nialate|O,O,O,O-Tetraethyl S,S'-methylenebis(dithiophosphate)|O,O,O',O'-Tetraaethyl-bis(dithiophosphat)|O,O,O',O'-tetraethyl S,S'-methanediyl bis(dithiophosphate)|O,O,O',O'-Tetraethyl S,S'-methylene bis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylene bisphosphorodithioate|O,O,O',O'-Tetraethyl S,S'-methylene di(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebisphosphordithioate|O,O,O',O'-Tetraethyl-S,S'-methylenebisphosphorodithioate|Phosphorodithioic acid, O,O-diethyl ester, S,S-diester with methanedithiol|Phosphorodithioic acid, S,S'-methylene O,O,O',O'-tetraethyl ester|Phosphorodithioic|12676-93-6|12738-47-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024086
ARPathway2016 ARPathway2016_1332 Ethion 563-12-2 DTXSID2024086 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OCC)SCSP(=S)(OCC)OCC Ethion 563-12-2|Ethion|4-01-00-03093|Bis(S-(diethoxyphosphinothioyl)mercapto)methane|BRN 1804530|Caswell No. 427|Diethion|EINECS 209-242-3|Embathion|EPA Pesticide Chemical Code 058401|Ethanox|Ethodan|Ethopaz|Ethyl methylene phosphorodithioate|Fosfatox E|Hylemax|Hylemox|Methyleen-S,S'-bis(O,O-diethyl-dithiofosfaat)|Methylene-S,S'-bis(O,O-diaethyl-dithiophosphat)|Niagara 1240|Nialate|O,O,O,O-Tetraethyl S,S'-methylenebis(dithiophosphate)|O,O,O',O'-Tetraaethyl-bis(dithiophosphat)|O,O,O',O'-tetraethyl S,S'-methanediyl bis(dithiophosphate)|O,O,O',O'-Tetraethyl S,S'-methylene bis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylene bisphosphorodithioate|O,O,O',O'-Tetraethyl S,S'-methylene di(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebisphosphordithioate|O,O,O',O'-Tetraethyl-S,S'-methylenebisphosphorodithioate|Phosphorodithioic acid, O,O-diethyl ester, S,S-diester with methanedithiol|Phosphorodithioic acid, S,S'-methylene O,O,O',O'-tetraethyl ester|Phosphorodithioic|12676-93-6|12738-47-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024086
ERPathway2016 ERPathway2016_238 Ethion 563-12-2 DTXSID2024086 ER Pathway Model, Antagonist AC50 11.5736796012285 uM CCOP(=S)(OCC)SCSP(=S)(OCC)OCC Ethion 563-12-2|Ethion|4-01-00-03093|Bis(S-(diethoxyphosphinothioyl)mercapto)methane|BRN 1804530|Caswell No. 427|Diethion|EINECS 209-242-3|Embathion|EPA Pesticide Chemical Code 058401|Ethanox|Ethodan|Ethopaz|Ethyl methylene phosphorodithioate|Fosfatox E|Hylemax|Hylemox|Methyleen-S,S'-bis(O,O-diethyl-dithiofosfaat)|Methylene-S,S'-bis(O,O-diaethyl-dithiophosphat)|Niagara 1240|Nialate|O,O,O,O-Tetraethyl S,S'-methylenebis(dithiophosphate)|O,O,O',O'-Tetraaethyl-bis(dithiophosphat)|O,O,O',O'-tetraethyl S,S'-methanediyl bis(dithiophosphate)|O,O,O',O'-Tetraethyl S,S'-methylene bis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylene bisphosphorodithioate|O,O,O',O'-Tetraethyl S,S'-methylene di(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebisphosphordithioate|O,O,O',O'-Tetraethyl-S,S'-methylenebisphosphorodithioate|Phosphorodithioic acid, O,O-diethyl ester, S,S-diester with methanedithiol|Phosphorodithioic acid, S,S'-methylene O,O,O',O'-tetraethyl ester|Phosphorodithioic|12676-93-6|12738-47-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024086
ERPathway2016 ERPathway2016_238 Ethion 563-12-2 DTXSID2024086 ER Pathway Model, Antagonist ACC 8.13078040958634 uM CCOP(=S)(OCC)SCSP(=S)(OCC)OCC Ethion 563-12-2|Ethion|4-01-00-03093|Bis(S-(diethoxyphosphinothioyl)mercapto)methane|BRN 1804530|Caswell No. 427|Diethion|EINECS 209-242-3|Embathion|EPA Pesticide Chemical Code 058401|Ethanox|Ethodan|Ethopaz|Ethyl methylene phosphorodithioate|Fosfatox E|Hylemax|Hylemox|Methyleen-S,S'-bis(O,O-diethyl-dithiofosfaat)|Methylene-S,S'-bis(O,O-diaethyl-dithiophosphat)|Niagara 1240|Nialate|O,O,O,O-Tetraethyl S,S'-methylenebis(dithiophosphate)|O,O,O',O'-Tetraaethyl-bis(dithiophosphat)|O,O,O',O'-tetraethyl S,S'-methanediyl bis(dithiophosphate)|O,O,O',O'-Tetraethyl S,S'-methylene bis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylene bisphosphorodithioate|O,O,O',O'-Tetraethyl S,S'-methylene di(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebisphosphordithioate|O,O,O',O'-Tetraethyl-S,S'-methylenebisphosphorodithioate|Phosphorodithioic acid, O,O-diethyl ester, S,S-diester with methanedithiol|Phosphorodithioic acid, S,S'-methylene O,O,O',O'-tetraethyl ester|Phosphorodithioic|12676-93-6|12738-47-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024086
ERPathway2016 ERPathway2016_238 Ethion 563-12-2 DTXSID2024086 ER Pathway Model, Agonist Model Score 0.0974 Unitless CCOP(=S)(OCC)SCSP(=S)(OCC)OCC Ethion 563-12-2|Ethion|4-01-00-03093|Bis(S-(diethoxyphosphinothioyl)mercapto)methane|BRN 1804530|Caswell No. 427|Diethion|EINECS 209-242-3|Embathion|EPA Pesticide Chemical Code 058401|Ethanox|Ethodan|Ethopaz|Ethyl methylene phosphorodithioate|Fosfatox E|Hylemax|Hylemox|Methyleen-S,S'-bis(O,O-diethyl-dithiofosfaat)|Methylene-S,S'-bis(O,O-diaethyl-dithiophosphat)|Niagara 1240|Nialate|O,O,O,O-Tetraethyl S,S'-methylenebis(dithiophosphate)|O,O,O',O'-Tetraaethyl-bis(dithiophosphat)|O,O,O',O'-tetraethyl S,S'-methanediyl bis(dithiophosphate)|O,O,O',O'-Tetraethyl S,S'-methylene bis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylene bisphosphorodithioate|O,O,O',O'-Tetraethyl S,S'-methylene di(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebisphosphordithioate|O,O,O',O'-Tetraethyl-S,S'-methylenebisphosphorodithioate|Phosphorodithioic acid, O,O-diethyl ester, S,S-diester with methanedithiol|Phosphorodithioic acid, S,S'-methylene O,O,O',O'-tetraethyl ester|Phosphorodithioic|12676-93-6|12738-47-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024086
ERPathway2016 ERPathway2016_238 Ethion 563-12-2 DTXSID2024086 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)SCSP(=S)(OCC)OCC Ethion 563-12-2|Ethion|4-01-00-03093|Bis(S-(diethoxyphosphinothioyl)mercapto)methane|BRN 1804530|Caswell No. 427|Diethion|EINECS 209-242-3|Embathion|EPA Pesticide Chemical Code 058401|Ethanox|Ethodan|Ethopaz|Ethyl methylene phosphorodithioate|Fosfatox E|Hylemax|Hylemox|Methyleen-S,S'-bis(O,O-diethyl-dithiofosfaat)|Methylene-S,S'-bis(O,O-diaethyl-dithiophosphat)|Niagara 1240|Nialate|O,O,O,O-Tetraethyl S,S'-methylenebis(dithiophosphate)|O,O,O',O'-Tetraaethyl-bis(dithiophosphat)|O,O,O',O'-tetraethyl S,S'-methanediyl bis(dithiophosphate)|O,O,O',O'-Tetraethyl S,S'-methylene bis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylene bisphosphorodithioate|O,O,O',O'-Tetraethyl S,S'-methylene di(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebisphosphordithioate|O,O,O',O'-Tetraethyl-S,S'-methylenebisphosphorodithioate|Phosphorodithioic acid, O,O-diethyl ester, S,S-diester with methanedithiol|Phosphorodithioic acid, S,S'-methylene O,O,O',O'-tetraethyl ester|Phosphorodithioic|12676-93-6|12738-47-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024086
ERPathway2016 ERPathway2016_238 Ethion 563-12-2 DTXSID2024086 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)SCSP(=S)(OCC)OCC Ethion 563-12-2|Ethion|4-01-00-03093|Bis(S-(diethoxyphosphinothioyl)mercapto)methane|BRN 1804530|Caswell No. 427|Diethion|EINECS 209-242-3|Embathion|EPA Pesticide Chemical Code 058401|Ethanox|Ethodan|Ethopaz|Ethyl methylene phosphorodithioate|Fosfatox E|Hylemax|Hylemox|Methyleen-S,S'-bis(O,O-diethyl-dithiofosfaat)|Methylene-S,S'-bis(O,O-diaethyl-dithiophosphat)|Niagara 1240|Nialate|O,O,O,O-Tetraethyl S,S'-methylenebis(dithiophosphate)|O,O,O',O'-Tetraaethyl-bis(dithiophosphat)|O,O,O',O'-tetraethyl S,S'-methanediyl bis(dithiophosphate)|O,O,O',O'-Tetraethyl S,S'-methylene bis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylene bisphosphorodithioate|O,O,O',O'-Tetraethyl S,S'-methylene di(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebisphosphordithioate|O,O,O',O'-Tetraethyl-S,S'-methylenebisphosphorodithioate|Phosphorodithioic acid, O,O-diethyl ester, S,S-diester with methanedithiol|Phosphorodithioic acid, S,S'-methylene O,O,O',O'-tetraethyl ester|Phosphorodithioic|12676-93-6|12738-47-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024086
ERPathway2016 ERPathway2016_238 Ethion 563-12-2 DTXSID2024086 ER Pathway Model, Antagonist Call Active Unitless CCOP(=S)(OCC)SCSP(=S)(OCC)OCC Ethion 563-12-2|Ethion|4-01-00-03093|Bis(S-(diethoxyphosphinothioyl)mercapto)methane|BRN 1804530|Caswell No. 427|Diethion|EINECS 209-242-3|Embathion|EPA Pesticide Chemical Code 058401|Ethanox|Ethodan|Ethopaz|Ethyl methylene phosphorodithioate|Fosfatox E|Hylemax|Hylemox|Methyleen-S,S'-bis(O,O-diethyl-dithiofosfaat)|Methylene-S,S'-bis(O,O-diaethyl-dithiophosphat)|Niagara 1240|Nialate|O,O,O,O-Tetraethyl S,S'-methylenebis(dithiophosphate)|O,O,O',O'-Tetraaethyl-bis(dithiophosphat)|O,O,O',O'-tetraethyl S,S'-methanediyl bis(dithiophosphate)|O,O,O',O'-Tetraethyl S,S'-methylene bis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylene bisphosphorodithioate|O,O,O',O'-Tetraethyl S,S'-methylene di(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebis(phosphorodithioate)|O,O,O',O'-Tetraethyl S,S'-methylenebisphosphordithioate|O,O,O',O'-Tetraethyl-S,S'-methylenebisphosphorodithioate|Phosphorodithioic acid, O,O-diethyl ester, S,S-diester with methanedithiol|Phosphorodithioic acid, S,S'-methylene O,O,O',O'-tetraethyl ester|Phosphorodithioic|12676-93-6|12738-47-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024086
ARPathway2016 ARPathway2016_1070 Ethofumesate 26225-79-6 DTXSID8034580 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC1OC2=C(C=C(OS(C)(=O)=O)C=C2)C1(C)C Ethofumesate 26225-79-6|Ethofumesate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranol methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranyl methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulphonate|5-Benzofuranol, 2-ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate,|BRN 5759730|Caswell No. 427BB|EINECS 247-525-3|EPA Pesticide Chemical Code 110601|Ethofumesate|Nortron|Progress|54991-90-1|62059-51-2|67148-04-3|67293-74-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034580
ARPathway2016 ARPathway2016_1070 Ethofumesate 26225-79-6 DTXSID8034580 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CCOC1OC2=C(C=C(OS(C)(=O)=O)C=C2)C1(C)C Ethofumesate 26225-79-6|Ethofumesate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranol methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranyl methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulphonate|5-Benzofuranol, 2-ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate,|BRN 5759730|Caswell No. 427BB|EINECS 247-525-3|EPA Pesticide Chemical Code 110601|Ethofumesate|Nortron|Progress|54991-90-1|62059-51-2|67148-04-3|67293-74-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034580
ARPathway2016 ARPathway2016_1070 Ethofumesate 26225-79-6 DTXSID8034580 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Agonist Call Inactive Unitless CCOC1OC2=C(C=C(OS(C)(=O)=O)C=C2)C1(C)C Ethofumesate 26225-79-6|Ethofumesate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranol methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranyl methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulphonate|5-Benzofuranol, 2-ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate,|BRN 5759730|Caswell No. 427BB|EINECS 247-525-3|EPA Pesticide Chemical Code 110601|Ethofumesate|Nortron|Progress|54991-90-1|62059-51-2|67148-04-3|67293-74-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034580
ARPathway2016 ARPathway2016_1070 Ethofumesate 26225-79-6 DTXSID8034580 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CCOC1OC2=C(C=C(OS(C)(=O)=O)C=C2)C1(C)C Ethofumesate 26225-79-6|Ethofumesate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranol methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranyl methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulphonate|5-Benzofuranol, 2-ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate,|BRN 5759730|Caswell No. 427BB|EINECS 247-525-3|EPA Pesticide Chemical Code 110601|Ethofumesate|Nortron|Progress|54991-90-1|62059-51-2|67148-04-3|67293-74-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034580
ERPathway2016 ERPathway2016_56 Ethofumesate 26225-79-6 DTXSID8034580 ER Pathway Model, Agonist AC50 53.7215011041378 uM CCOC1OC2=C(C=C(OS(C)(=O)=O)C=C2)C1(C)C Ethofumesate 26225-79-6|Ethofumesate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranol methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranyl methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulphonate|5-Benzofuranol, 2-ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate,|BRN 5759730|Caswell No. 427BB|EINECS 247-525-3|EPA Pesticide Chemical Code 110601|Ethofumesate|Nortron|Progress|54991-90-1|62059-51-2|67148-04-3|67293-74-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034580
ERPathway2016 ERPathway2016_56 Ethofumesate 26225-79-6 DTXSID8034580 ER Pathway Model, Agonist ACC 43.1224600431104 uM CCOC1OC2=C(C=C(OS(C)(=O)=O)C=C2)C1(C)C Ethofumesate 26225-79-6|Ethofumesate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranol methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranyl methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulphonate|5-Benzofuranol, 2-ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate,|BRN 5759730|Caswell No. 427BB|EINECS 247-525-3|EPA Pesticide Chemical Code 110601|Ethofumesate|Nortron|Progress|54991-90-1|62059-51-2|67148-04-3|67293-74-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034580
ERPathway2016 ERPathway2016_56 Ethofumesate 26225-79-6 DTXSID8034580 ER Pathway Model, Agonist Model Score 0.00195 Unitless CCOC1OC2=C(C=C(OS(C)(=O)=O)C=C2)C1(C)C Ethofumesate 26225-79-6|Ethofumesate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranol methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranyl methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulphonate|5-Benzofuranol, 2-ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate,|BRN 5759730|Caswell No. 427BB|EINECS 247-525-3|EPA Pesticide Chemical Code 110601|Ethofumesate|Nortron|Progress|54991-90-1|62059-51-2|67148-04-3|67293-74-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034580
ERPathway2016 ERPathway2016_56 Ethofumesate 26225-79-6 DTXSID8034580 ER Pathway Model, Antagonist Model Score 0.0129 Unitless CCOC1OC2=C(C=C(OS(C)(=O)=O)C=C2)C1(C)C Ethofumesate 26225-79-6|Ethofumesate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranol methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranyl methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulphonate|5-Benzofuranol, 2-ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate,|BRN 5759730|Caswell No. 427BB|EINECS 247-525-3|EPA Pesticide Chemical Code 110601|Ethofumesate|Nortron|Progress|54991-90-1|62059-51-2|67148-04-3|67293-74-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034580
ERPathway2016 ERPathway2016_56 Ethofumesate 26225-79-6 DTXSID8034580 ER Pathway Model, Agonist Call Active Unitless CCOC1OC2=C(C=C(OS(C)(=O)=O)C=C2)C1(C)C Ethofumesate 26225-79-6|Ethofumesate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranol methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranyl methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulphonate|5-Benzofuranol, 2-ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate,|BRN 5759730|Caswell No. 427BB|EINECS 247-525-3|EPA Pesticide Chemical Code 110601|Ethofumesate|Nortron|Progress|54991-90-1|62059-51-2|67148-04-3|67293-74-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034580
ERPathway2016 ERPathway2016_56 Ethofumesate 26225-79-6 DTXSID8034580 ER Pathway Model, Antagonist Call Inactive Unitless CCOC1OC2=C(C=C(OS(C)(=O)=O)C=C2)C1(C)C Ethofumesate 26225-79-6|Ethofumesate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranol methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranyl methanesulfonate|(+-)-2-Ethoxy-2,3-dihydro-3,3-dimethylbenzofuran-5-yl methanesulphonate|5-Benzofuranol, 2-ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate,|BRN 5759730|Caswell No. 427BB|EINECS 247-525-3|EPA Pesticide Chemical Code 110601|Ethofumesate|Nortron|Progress|54991-90-1|62059-51-2|67148-04-3|67293-74-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034580
ARPathway2016 ARPathway2016_781 Ethoprop 13194-48-4 DTXSID4032611 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCSP(=O)(OCC)SCCC Ethoprop 13194-48-4|Ethoprop|Caswell No. 434C|EINECS 236-152-1|EPA Pesticide Chemical Code 041101|Ethoprophos|Ethyl propyl phosphorodithioate|etoprofos|Mobil V-C 9-104|O-Ethyl S,S-dipropyl dithiophosphate|O-Ethyl S,S-dipropyl phosphorodithioate|O-Ethyl S,S-dipropylphosphorodithioate|O-Ethyl-S,S-dipropyl phosphorodithionate|Phophos|Phosethoprop|Phosphorodithioic acid O-ethyl S,S-dipropyl ester|Phosphorodithioic acid, O-ethyl S,S-dipropyl ester|Phosphorodithioic acid, O-ethylS,S-dipropyl ester|Prophos|Rovokil|S,S-Dipropyl O-ethyl phosphorodithioate|UNII-765Y5683OQ|V-C Chemical V-C 9-104|Virginia-carolina VC 9-104 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032611
ARPathway2016 ARPathway2016_781 Ethoprop 13194-48-4 DTXSID4032611 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCSP(=O)(OCC)SCCC Ethoprop 13194-48-4|Ethoprop|Caswell No. 434C|EINECS 236-152-1|EPA Pesticide Chemical Code 041101|Ethoprophos|Ethyl propyl phosphorodithioate|etoprofos|Mobil V-C 9-104|O-Ethyl S,S-dipropyl dithiophosphate|O-Ethyl S,S-dipropyl phosphorodithioate|O-Ethyl S,S-dipropylphosphorodithioate|O-Ethyl-S,S-dipropyl phosphorodithionate|Phophos|Phosethoprop|Phosphorodithioic acid O-ethyl S,S-dipropyl ester|Phosphorodithioic acid, O-ethyl S,S-dipropyl ester|Phosphorodithioic acid, O-ethylS,S-dipropyl ester|Prophos|Rovokil|S,S-Dipropyl O-ethyl phosphorodithioate|UNII-765Y5683OQ|V-C Chemical V-C 9-104|Virginia-carolina VC 9-104 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032611
ARPathway2016 ARPathway2016_781 Ethoprop 13194-48-4 DTXSID4032611 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCSP(=O)(OCC)SCCC Ethoprop 13194-48-4|Ethoprop|Caswell No. 434C|EINECS 236-152-1|EPA Pesticide Chemical Code 041101|Ethoprophos|Ethyl propyl phosphorodithioate|etoprofos|Mobil V-C 9-104|O-Ethyl S,S-dipropyl dithiophosphate|O-Ethyl S,S-dipropyl phosphorodithioate|O-Ethyl S,S-dipropylphosphorodithioate|O-Ethyl-S,S-dipropyl phosphorodithionate|Phophos|Phosethoprop|Phosphorodithioic acid O-ethyl S,S-dipropyl ester|Phosphorodithioic acid, O-ethyl S,S-dipropyl ester|Phosphorodithioic acid, O-ethylS,S-dipropyl ester|Prophos|Rovokil|S,S-Dipropyl O-ethyl phosphorodithioate|UNII-765Y5683OQ|V-C Chemical V-C 9-104|Virginia-carolina VC 9-104 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032611
ARPathway2016 ARPathway2016_781 Ethoprop 13194-48-4 DTXSID4032611 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCSP(=O)(OCC)SCCC Ethoprop 13194-48-4|Ethoprop|Caswell No. 434C|EINECS 236-152-1|EPA Pesticide Chemical Code 041101|Ethoprophos|Ethyl propyl phosphorodithioate|etoprofos|Mobil V-C 9-104|O-Ethyl S,S-dipropyl dithiophosphate|O-Ethyl S,S-dipropyl phosphorodithioate|O-Ethyl S,S-dipropylphosphorodithioate|O-Ethyl-S,S-dipropyl phosphorodithionate|Phophos|Phosethoprop|Phosphorodithioic acid O-ethyl S,S-dipropyl ester|Phosphorodithioic acid, O-ethyl S,S-dipropyl ester|Phosphorodithioic acid, O-ethylS,S-dipropyl ester|Prophos|Rovokil|S,S-Dipropyl O-ethyl phosphorodithioate|UNII-765Y5683OQ|V-C Chemical V-C 9-104|Virginia-carolina VC 9-104 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032611
ERPathway2016 ERPathway2016_1271 Ethoprop 13194-48-4 DTXSID4032611 ER Pathway Model, Agonist Model Score 0 Unitless CCCSP(=O)(OCC)SCCC Ethoprop 13194-48-4|Ethoprop|Caswell No. 434C|EINECS 236-152-1|EPA Pesticide Chemical Code 041101|Ethoprophos|Ethyl propyl phosphorodithioate|etoprofos|Mobil V-C 9-104|O-Ethyl S,S-dipropyl dithiophosphate|O-Ethyl S,S-dipropyl phosphorodithioate|O-Ethyl S,S-dipropylphosphorodithioate|O-Ethyl-S,S-dipropyl phosphorodithionate|Phophos|Phosethoprop|Phosphorodithioic acid O-ethyl S,S-dipropyl ester|Phosphorodithioic acid, O-ethyl S,S-dipropyl ester|Phosphorodithioic acid, O-ethylS,S-dipropyl ester|Prophos|Rovokil|S,S-Dipropyl O-ethyl phosphorodithioate|UNII-765Y5683OQ|V-C Chemical V-C 9-104|Virginia-carolina VC 9-104 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032611
ERPathway2016 ERPathway2016_1271 Ethoprop 13194-48-4 DTXSID4032611 ER Pathway Model, Antagonist Model Score 0 Unitless CCCSP(=O)(OCC)SCCC Ethoprop 13194-48-4|Ethoprop|Caswell No. 434C|EINECS 236-152-1|EPA Pesticide Chemical Code 041101|Ethoprophos|Ethyl propyl phosphorodithioate|etoprofos|Mobil V-C 9-104|O-Ethyl S,S-dipropyl dithiophosphate|O-Ethyl S,S-dipropyl phosphorodithioate|O-Ethyl S,S-dipropylphosphorodithioate|O-Ethyl-S,S-dipropyl phosphorodithionate|Phophos|Phosethoprop|Phosphorodithioic acid O-ethyl S,S-dipropyl ester|Phosphorodithioic acid, O-ethyl S,S-dipropyl ester|Phosphorodithioic acid, O-ethylS,S-dipropyl ester|Prophos|Rovokil|S,S-Dipropyl O-ethyl phosphorodithioate|UNII-765Y5683OQ|V-C Chemical V-C 9-104|Virginia-carolina VC 9-104 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032611
ERPathway2016 ERPathway2016_1271 Ethoprop 13194-48-4 DTXSID4032611 ER Pathway Model, Agonist Call Inactive Unitless CCCSP(=O)(OCC)SCCC Ethoprop 13194-48-4|Ethoprop|Caswell No. 434C|EINECS 236-152-1|EPA Pesticide Chemical Code 041101|Ethoprophos|Ethyl propyl phosphorodithioate|etoprofos|Mobil V-C 9-104|O-Ethyl S,S-dipropyl dithiophosphate|O-Ethyl S,S-dipropyl phosphorodithioate|O-Ethyl S,S-dipropylphosphorodithioate|O-Ethyl-S,S-dipropyl phosphorodithionate|Phophos|Phosethoprop|Phosphorodithioic acid O-ethyl S,S-dipropyl ester|Phosphorodithioic acid, O-ethyl S,S-dipropyl ester|Phosphorodithioic acid, O-ethylS,S-dipropyl ester|Prophos|Rovokil|S,S-Dipropyl O-ethyl phosphorodithioate|UNII-765Y5683OQ|V-C Chemical V-C 9-104|Virginia-carolina VC 9-104 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032611
ERPathway2016 ERPathway2016_1271 Ethoprop 13194-48-4 DTXSID4032611 ER Pathway Model, Antagonist Call Inactive Unitless CCCSP(=O)(OCC)SCCC Ethoprop 13194-48-4|Ethoprop|Caswell No. 434C|EINECS 236-152-1|EPA Pesticide Chemical Code 041101|Ethoprophos|Ethyl propyl phosphorodithioate|etoprofos|Mobil V-C 9-104|O-Ethyl S,S-dipropyl dithiophosphate|O-Ethyl S,S-dipropyl phosphorodithioate|O-Ethyl S,S-dipropylphosphorodithioate|O-Ethyl-S,S-dipropyl phosphorodithionate|Phophos|Phosethoprop|Phosphorodithioic acid O-ethyl S,S-dipropyl ester|Phosphorodithioic acid, O-ethyl S,S-dipropyl ester|Phosphorodithioic acid, O-ethylS,S-dipropyl ester|Prophos|Rovokil|S,S-Dipropyl O-ethyl phosphorodithioate|UNII-765Y5683OQ|V-C Chemical V-C 9-104|Virginia-carolina VC 9-104 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032611
ARPathway2016 ARPathway2016_1710 Ethoxyquin 91-53-2 DTXSID9020582 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC1=CC2=C(NC(C)(C)C=C2C)C=C1 Ethoxyquin 91-53-2|Ethoxyquin|1,2-Dihydro-2,2,4-trimethyl-6-ethoxyquinoline|1,2-Dihydro-6-ethoxy-2,2,4-trimethylquinoline|2,2,4-Trimethyl-1,2-dihydro-6-ethoxyquinoline|2,2,4-Trimethyl-6-ethoxy-1,2-dihydroquinoline|6-Ethoxy-1, 2-dihydro-2, 2, 4-trimethylquinoline|6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinoline|6-Ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline|Alterungsschutzmittel EC|Amea 100|Antage AW|Antioxidant AW|Antioxidant EC|Antox|Aries Antox|Biox SE|BIOX-S|Caswell No. 427D|Dawe's nutrigard|E 324|E324|EINECS 202-075-7|EMQ|EPA Pesticide Chemical Code 055501|Ethoxychin|Ethoxyquine|Ethyl 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl ether|etoxiquina|Niflex|Niflex D|Nix-Scald|Nocrac AW|Nocrac AW-G|Nocrack AW|Nonflex AW|Nonflex AW-P|NSC 6795|NSC-6795|Permanax 103|Quinol ED|Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-|QUINOLINE, 6-ETHOXY-2,2,4-TRIMETHYL-1,2-DIHYDRO-|Raluquin|Santoflex A|Santoflex AW|Santoquin|Santoquine|Stop-Scald|Tenox II|UNII-9T1410R4OR|124448-33-5|8047-04-9|8047-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020582 https://doi.org/10.22427/NTP-DATA-DTXSID9020582
ARPathway2016 ARPathway2016_1710 Ethoxyquin 91-53-2 DTXSID9020582 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC1=CC2=C(NC(C)(C)C=C2C)C=C1 Ethoxyquin 91-53-2|Ethoxyquin|1,2-Dihydro-2,2,4-trimethyl-6-ethoxyquinoline|1,2-Dihydro-6-ethoxy-2,2,4-trimethylquinoline|2,2,4-Trimethyl-1,2-dihydro-6-ethoxyquinoline|2,2,4-Trimethyl-6-ethoxy-1,2-dihydroquinoline|6-Ethoxy-1, 2-dihydro-2, 2, 4-trimethylquinoline|6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinoline|6-Ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline|Alterungsschutzmittel EC|Amea 100|Antage AW|Antioxidant AW|Antioxidant EC|Antox|Aries Antox|Biox SE|BIOX-S|Caswell No. 427D|Dawe's nutrigard|E 324|E324|EINECS 202-075-7|EMQ|EPA Pesticide Chemical Code 055501|Ethoxychin|Ethoxyquine|Ethyl 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl ether|etoxiquina|Niflex|Niflex D|Nix-Scald|Nocrac AW|Nocrac AW-G|Nocrack AW|Nonflex AW|Nonflex AW-P|NSC 6795|NSC-6795|Permanax 103|Quinol ED|Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-|QUINOLINE, 6-ETHOXY-2,2,4-TRIMETHYL-1,2-DIHYDRO-|Raluquin|Santoflex A|Santoflex AW|Santoquin|Santoquine|Stop-Scald|Tenox II|UNII-9T1410R4OR|124448-33-5|8047-04-9|8047-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020582 https://doi.org/10.22427/NTP-DATA-DTXSID9020582
ARPathway2016 ARPathway2016_1710 Ethoxyquin 91-53-2 DTXSID9020582 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC1=CC2=C(NC(C)(C)C=C2C)C=C1 Ethoxyquin 91-53-2|Ethoxyquin|1,2-Dihydro-2,2,4-trimethyl-6-ethoxyquinoline|1,2-Dihydro-6-ethoxy-2,2,4-trimethylquinoline|2,2,4-Trimethyl-1,2-dihydro-6-ethoxyquinoline|2,2,4-Trimethyl-6-ethoxy-1,2-dihydroquinoline|6-Ethoxy-1, 2-dihydro-2, 2, 4-trimethylquinoline|6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinoline|6-Ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline|Alterungsschutzmittel EC|Amea 100|Antage AW|Antioxidant AW|Antioxidant EC|Antox|Aries Antox|Biox SE|BIOX-S|Caswell No. 427D|Dawe's nutrigard|E 324|E324|EINECS 202-075-7|EMQ|EPA Pesticide Chemical Code 055501|Ethoxychin|Ethoxyquine|Ethyl 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl ether|etoxiquina|Niflex|Niflex D|Nix-Scald|Nocrac AW|Nocrac AW-G|Nocrack AW|Nonflex AW|Nonflex AW-P|NSC 6795|NSC-6795|Permanax 103|Quinol ED|Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-|QUINOLINE, 6-ETHOXY-2,2,4-TRIMETHYL-1,2-DIHYDRO-|Raluquin|Santoflex A|Santoflex AW|Santoquin|Santoquine|Stop-Scald|Tenox II|UNII-9T1410R4OR|124448-33-5|8047-04-9|8047-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020582 https://doi.org/10.22427/NTP-DATA-DTXSID9020582
ARPathway2016 ARPathway2016_1710 Ethoxyquin 91-53-2 DTXSID9020582 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC1=CC2=C(NC(C)(C)C=C2C)C=C1 Ethoxyquin 91-53-2|Ethoxyquin|1,2-Dihydro-2,2,4-trimethyl-6-ethoxyquinoline|1,2-Dihydro-6-ethoxy-2,2,4-trimethylquinoline|2,2,4-Trimethyl-1,2-dihydro-6-ethoxyquinoline|2,2,4-Trimethyl-6-ethoxy-1,2-dihydroquinoline|6-Ethoxy-1, 2-dihydro-2, 2, 4-trimethylquinoline|6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinoline|6-Ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline|Alterungsschutzmittel EC|Amea 100|Antage AW|Antioxidant AW|Antioxidant EC|Antox|Aries Antox|Biox SE|BIOX-S|Caswell No. 427D|Dawe's nutrigard|E 324|E324|EINECS 202-075-7|EMQ|EPA Pesticide Chemical Code 055501|Ethoxychin|Ethoxyquine|Ethyl 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl ether|etoxiquina|Niflex|Niflex D|Nix-Scald|Nocrac AW|Nocrac AW-G|Nocrack AW|Nonflex AW|Nonflex AW-P|NSC 6795|NSC-6795|Permanax 103|Quinol ED|Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-|QUINOLINE, 6-ETHOXY-2,2,4-TRIMETHYL-1,2-DIHYDRO-|Raluquin|Santoflex A|Santoflex AW|Santoquin|Santoquine|Stop-Scald|Tenox II|UNII-9T1410R4OR|124448-33-5|8047-04-9|8047-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020582 https://doi.org/10.22427/NTP-DATA-DTXSID9020582
ERPathway2016 ERPathway2016_505 Ethoxyquin 91-53-2 DTXSID9020582 ER Pathway Model, Agonist Model Score 0 Unitless CCOC1=CC2=C(NC(C)(C)C=C2C)C=C1 Ethoxyquin 91-53-2|Ethoxyquin|1,2-Dihydro-2,2,4-trimethyl-6-ethoxyquinoline|1,2-Dihydro-6-ethoxy-2,2,4-trimethylquinoline|2,2,4-Trimethyl-1,2-dihydro-6-ethoxyquinoline|2,2,4-Trimethyl-6-ethoxy-1,2-dihydroquinoline|6-Ethoxy-1, 2-dihydro-2, 2, 4-trimethylquinoline|6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinoline|6-Ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline|Alterungsschutzmittel EC|Amea 100|Antage AW|Antioxidant AW|Antioxidant EC|Antox|Aries Antox|Biox SE|BIOX-S|Caswell No. 427D|Dawe's nutrigard|E 324|E324|EINECS 202-075-7|EMQ|EPA Pesticide Chemical Code 055501|Ethoxychin|Ethoxyquine|Ethyl 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl ether|etoxiquina|Niflex|Niflex D|Nix-Scald|Nocrac AW|Nocrac AW-G|Nocrack AW|Nonflex AW|Nonflex AW-P|NSC 6795|NSC-6795|Permanax 103|Quinol ED|Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-|QUINOLINE, 6-ETHOXY-2,2,4-TRIMETHYL-1,2-DIHYDRO-|Raluquin|Santoflex A|Santoflex AW|Santoquin|Santoquine|Stop-Scald|Tenox II|UNII-9T1410R4OR|124448-33-5|8047-04-9|8047-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020582 https://doi.org/10.22427/NTP-DATA-DTXSID9020582
ERPathway2016 ERPathway2016_505 Ethoxyquin 91-53-2 DTXSID9020582 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC1=CC2=C(NC(C)(C)C=C2C)C=C1 Ethoxyquin 91-53-2|Ethoxyquin|1,2-Dihydro-2,2,4-trimethyl-6-ethoxyquinoline|1,2-Dihydro-6-ethoxy-2,2,4-trimethylquinoline|2,2,4-Trimethyl-1,2-dihydro-6-ethoxyquinoline|2,2,4-Trimethyl-6-ethoxy-1,2-dihydroquinoline|6-Ethoxy-1, 2-dihydro-2, 2, 4-trimethylquinoline|6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinoline|6-Ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline|Alterungsschutzmittel EC|Amea 100|Antage AW|Antioxidant AW|Antioxidant EC|Antox|Aries Antox|Biox SE|BIOX-S|Caswell No. 427D|Dawe's nutrigard|E 324|E324|EINECS 202-075-7|EMQ|EPA Pesticide Chemical Code 055501|Ethoxychin|Ethoxyquine|Ethyl 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl ether|etoxiquina|Niflex|Niflex D|Nix-Scald|Nocrac AW|Nocrac AW-G|Nocrack AW|Nonflex AW|Nonflex AW-P|NSC 6795|NSC-6795|Permanax 103|Quinol ED|Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-|QUINOLINE, 6-ETHOXY-2,2,4-TRIMETHYL-1,2-DIHYDRO-|Raluquin|Santoflex A|Santoflex AW|Santoquin|Santoquine|Stop-Scald|Tenox II|UNII-9T1410R4OR|124448-33-5|8047-04-9|8047-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020582 https://doi.org/10.22427/NTP-DATA-DTXSID9020582
ERPathway2016 ERPathway2016_505 Ethoxyquin 91-53-2 DTXSID9020582 ER Pathway Model, Agonist Call Inactive Unitless CCOC1=CC2=C(NC(C)(C)C=C2C)C=C1 Ethoxyquin 91-53-2|Ethoxyquin|1,2-Dihydro-2,2,4-trimethyl-6-ethoxyquinoline|1,2-Dihydro-6-ethoxy-2,2,4-trimethylquinoline|2,2,4-Trimethyl-1,2-dihydro-6-ethoxyquinoline|2,2,4-Trimethyl-6-ethoxy-1,2-dihydroquinoline|6-Ethoxy-1, 2-dihydro-2, 2, 4-trimethylquinoline|6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinoline|6-Ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline|Alterungsschutzmittel EC|Amea 100|Antage AW|Antioxidant AW|Antioxidant EC|Antox|Aries Antox|Biox SE|BIOX-S|Caswell No. 427D|Dawe's nutrigard|E 324|E324|EINECS 202-075-7|EMQ|EPA Pesticide Chemical Code 055501|Ethoxychin|Ethoxyquine|Ethyl 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl ether|etoxiquina|Niflex|Niflex D|Nix-Scald|Nocrac AW|Nocrac AW-G|Nocrack AW|Nonflex AW|Nonflex AW-P|NSC 6795|NSC-6795|Permanax 103|Quinol ED|Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-|QUINOLINE, 6-ETHOXY-2,2,4-TRIMETHYL-1,2-DIHYDRO-|Raluquin|Santoflex A|Santoflex AW|Santoquin|Santoquine|Stop-Scald|Tenox II|UNII-9T1410R4OR|124448-33-5|8047-04-9|8047-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020582 https://doi.org/10.22427/NTP-DATA-DTXSID9020582
ERPathway2016 ERPathway2016_505 Ethoxyquin 91-53-2 DTXSID9020582 ER Pathway Model, Antagonist Call Inactive Unitless CCOC1=CC2=C(NC(C)(C)C=C2C)C=C1 Ethoxyquin 91-53-2|Ethoxyquin|1,2-Dihydro-2,2,4-trimethyl-6-ethoxyquinoline|1,2-Dihydro-6-ethoxy-2,2,4-trimethylquinoline|2,2,4-Trimethyl-1,2-dihydro-6-ethoxyquinoline|2,2,4-Trimethyl-6-ethoxy-1,2-dihydroquinoline|6-Ethoxy-1, 2-dihydro-2, 2, 4-trimethylquinoline|6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinoline|6-Ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline|Alterungsschutzmittel EC|Amea 100|Antage AW|Antioxidant AW|Antioxidant EC|Antox|Aries Antox|Biox SE|BIOX-S|Caswell No. 427D|Dawe's nutrigard|E 324|E324|EINECS 202-075-7|EMQ|EPA Pesticide Chemical Code 055501|Ethoxychin|Ethoxyquine|Ethyl 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl ether|etoxiquina|Niflex|Niflex D|Nix-Scald|Nocrac AW|Nocrac AW-G|Nocrack AW|Nonflex AW|Nonflex AW-P|NSC 6795|NSC-6795|Permanax 103|Quinol ED|Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-|QUINOLINE, 6-ETHOXY-2,2,4-TRIMETHYL-1,2-DIHYDRO-|Raluquin|Santoflex A|Santoflex AW|Santoquin|Santoquine|Stop-Scald|Tenox II|UNII-9T1410R4OR|124448-33-5|8047-04-9|8047-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020582 https://doi.org/10.22427/NTP-DATA-DTXSID9020582
ARPathway2016 ARPathway2016_149 Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7 DTXSID0041357 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 67.7806753500001 uM CCCCCC=C/C=C/C(=O)OCC Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7|Ethyl (2E,4Z)-deca-2,4-dienoate|2,4-Decadienoic acid, ethyl ester, (2E,4Z)-|2,4-Decadienoic acid, ethyl ester, (E,Z)-|221-178-8|4-02-00-01731|BRN 1724176|E,Z-Ethyl 2,4-decadienoate|EC No.: 221-178-8|EINECS 221-178-8|Ethyl (2E,4Z)-2,4-decadienoate|Ethyl (2E,4Z)-decadienoate|Ethyl (E,Z)-2,4-decadienoate|Ethyl 2,4-decadienoate, (E,Z)-|Ethyl trans-2,cis-4-decadienoate|Ethyl-2-trans-4-cis-decadienoate|Ethyl-2E,4Z-Decadienoate|Ethyl(E,Z)-decadienoate|FEMA No. 3148|P.C. Code 144022|PC Code 144022|Pear ester|UNII-79P6KS9Y5Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041357
ARPathway2016 ARPathway2016_149 Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7 DTXSID0041357 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 57.5750523778464 uM CCCCCC=C/C=C/C(=O)OCC Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7|Ethyl (2E,4Z)-deca-2,4-dienoate|2,4-Decadienoic acid, ethyl ester, (2E,4Z)-|2,4-Decadienoic acid, ethyl ester, (E,Z)-|221-178-8|4-02-00-01731|BRN 1724176|E,Z-Ethyl 2,4-decadienoate|EC No.: 221-178-8|EINECS 221-178-8|Ethyl (2E,4Z)-2,4-decadienoate|Ethyl (2E,4Z)-decadienoate|Ethyl (E,Z)-2,4-decadienoate|Ethyl 2,4-decadienoate, (E,Z)-|Ethyl trans-2,cis-4-decadienoate|Ethyl-2-trans-4-cis-decadienoate|Ethyl-2E,4Z-Decadienoate|Ethyl(E,Z)-decadienoate|FEMA No. 3148|P.C. Code 144022|PC Code 144022|Pear ester|UNII-79P6KS9Y5Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041357
ARPathway2016 ARPathway2016_149 Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7 DTXSID0041357 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0668 Unitless CCCCCC=C/C=C/C(=O)OCC Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7|Ethyl (2E,4Z)-deca-2,4-dienoate|2,4-Decadienoic acid, ethyl ester, (2E,4Z)-|2,4-Decadienoic acid, ethyl ester, (E,Z)-|221-178-8|4-02-00-01731|BRN 1724176|E,Z-Ethyl 2,4-decadienoate|EC No.: 221-178-8|EINECS 221-178-8|Ethyl (2E,4Z)-2,4-decadienoate|Ethyl (2E,4Z)-decadienoate|Ethyl (E,Z)-2,4-decadienoate|Ethyl 2,4-decadienoate, (E,Z)-|Ethyl trans-2,cis-4-decadienoate|Ethyl-2-trans-4-cis-decadienoate|Ethyl-2E,4Z-Decadienoate|Ethyl(E,Z)-decadienoate|FEMA No. 3148|P.C. Code 144022|PC Code 144022|Pear ester|UNII-79P6KS9Y5Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041357
ARPathway2016 ARPathway2016_149 Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7 DTXSID0041357 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCCCC=C/C=C/C(=O)OCC Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7|Ethyl (2E,4Z)-deca-2,4-dienoate|2,4-Decadienoic acid, ethyl ester, (2E,4Z)-|2,4-Decadienoic acid, ethyl ester, (E,Z)-|221-178-8|4-02-00-01731|BRN 1724176|E,Z-Ethyl 2,4-decadienoate|EC No.: 221-178-8|EINECS 221-178-8|Ethyl (2E,4Z)-2,4-decadienoate|Ethyl (2E,4Z)-decadienoate|Ethyl (E,Z)-2,4-decadienoate|Ethyl 2,4-decadienoate, (E,Z)-|Ethyl trans-2,cis-4-decadienoate|Ethyl-2-trans-4-cis-decadienoate|Ethyl-2E,4Z-Decadienoate|Ethyl(E,Z)-decadienoate|FEMA No. 3148|P.C. Code 144022|PC Code 144022|Pear ester|UNII-79P6KS9Y5Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041357
ARPathway2016 ARPathway2016_149 Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7 DTXSID0041357 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCCC=C/C=C/C(=O)OCC Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7|Ethyl (2E,4Z)-deca-2,4-dienoate|2,4-Decadienoic acid, ethyl ester, (2E,4Z)-|2,4-Decadienoic acid, ethyl ester, (E,Z)-|221-178-8|4-02-00-01731|BRN 1724176|E,Z-Ethyl 2,4-decadienoate|EC No.: 221-178-8|EINECS 221-178-8|Ethyl (2E,4Z)-2,4-decadienoate|Ethyl (2E,4Z)-decadienoate|Ethyl (E,Z)-2,4-decadienoate|Ethyl 2,4-decadienoate, (E,Z)-|Ethyl trans-2,cis-4-decadienoate|Ethyl-2-trans-4-cis-decadienoate|Ethyl-2E,4Z-Decadienoate|Ethyl(E,Z)-decadienoate|FEMA No. 3148|P.C. Code 144022|PC Code 144022|Pear ester|UNII-79P6KS9Y5Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041357
ARPathway2016 ARPathway2016_149 Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7 DTXSID0041357 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCCC=C/C=C/C(=O)OCC Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7|Ethyl (2E,4Z)-deca-2,4-dienoate|2,4-Decadienoic acid, ethyl ester, (2E,4Z)-|2,4-Decadienoic acid, ethyl ester, (E,Z)-|221-178-8|4-02-00-01731|BRN 1724176|E,Z-Ethyl 2,4-decadienoate|EC No.: 221-178-8|EINECS 221-178-8|Ethyl (2E,4Z)-2,4-decadienoate|Ethyl (2E,4Z)-decadienoate|Ethyl (E,Z)-2,4-decadienoate|Ethyl 2,4-decadienoate, (E,Z)-|Ethyl trans-2,cis-4-decadienoate|Ethyl-2-trans-4-cis-decadienoate|Ethyl-2E,4Z-Decadienoate|Ethyl(E,Z)-decadienoate|FEMA No. 3148|P.C. Code 144022|PC Code 144022|Pear ester|UNII-79P6KS9Y5Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041357
ERPathway2016 ERPathway2016_118 Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7 DTXSID0041357 ER Pathway Model, Agonist AC50 35.7771392823377 uM CCCCCC=C/C=C/C(=O)OCC Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7|Ethyl (2E,4Z)-deca-2,4-dienoate|2,4-Decadienoic acid, ethyl ester, (2E,4Z)-|2,4-Decadienoic acid, ethyl ester, (E,Z)-|221-178-8|4-02-00-01731|BRN 1724176|E,Z-Ethyl 2,4-decadienoate|EC No.: 221-178-8|EINECS 221-178-8|Ethyl (2E,4Z)-2,4-decadienoate|Ethyl (2E,4Z)-decadienoate|Ethyl (E,Z)-2,4-decadienoate|Ethyl 2,4-decadienoate, (E,Z)-|Ethyl trans-2,cis-4-decadienoate|Ethyl-2-trans-4-cis-decadienoate|Ethyl-2E,4Z-Decadienoate|Ethyl(E,Z)-decadienoate|FEMA No. 3148|P.C. Code 144022|PC Code 144022|Pear ester|UNII-79P6KS9Y5Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041357
ERPathway2016 ERPathway2016_118 Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7 DTXSID0041357 ER Pathway Model, Agonist ACC 45.2191228463918 uM CCCCCC=C/C=C/C(=O)OCC Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7|Ethyl (2E,4Z)-deca-2,4-dienoate|2,4-Decadienoic acid, ethyl ester, (2E,4Z)-|2,4-Decadienoic acid, ethyl ester, (E,Z)-|221-178-8|4-02-00-01731|BRN 1724176|E,Z-Ethyl 2,4-decadienoate|EC No.: 221-178-8|EINECS 221-178-8|Ethyl (2E,4Z)-2,4-decadienoate|Ethyl (2E,4Z)-decadienoate|Ethyl (E,Z)-2,4-decadienoate|Ethyl 2,4-decadienoate, (E,Z)-|Ethyl trans-2,cis-4-decadienoate|Ethyl-2-trans-4-cis-decadienoate|Ethyl-2E,4Z-Decadienoate|Ethyl(E,Z)-decadienoate|FEMA No. 3148|P.C. Code 144022|PC Code 144022|Pear ester|UNII-79P6KS9Y5Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041357
ERPathway2016 ERPathway2016_118 Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7 DTXSID0041357 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCC=C/C=C/C(=O)OCC Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7|Ethyl (2E,4Z)-deca-2,4-dienoate|2,4-Decadienoic acid, ethyl ester, (2E,4Z)-|2,4-Decadienoic acid, ethyl ester, (E,Z)-|221-178-8|4-02-00-01731|BRN 1724176|E,Z-Ethyl 2,4-decadienoate|EC No.: 221-178-8|EINECS 221-178-8|Ethyl (2E,4Z)-2,4-decadienoate|Ethyl (2E,4Z)-decadienoate|Ethyl (E,Z)-2,4-decadienoate|Ethyl 2,4-decadienoate, (E,Z)-|Ethyl trans-2,cis-4-decadienoate|Ethyl-2-trans-4-cis-decadienoate|Ethyl-2E,4Z-Decadienoate|Ethyl(E,Z)-decadienoate|FEMA No. 3148|P.C. Code 144022|PC Code 144022|Pear ester|UNII-79P6KS9Y5Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041357
ERPathway2016 ERPathway2016_118 Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7 DTXSID0041357 ER Pathway Model, Antagonist Model Score 0.0214 Unitless CCCCCC=C/C=C/C(=O)OCC Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7|Ethyl (2E,4Z)-deca-2,4-dienoate|2,4-Decadienoic acid, ethyl ester, (2E,4Z)-|2,4-Decadienoic acid, ethyl ester, (E,Z)-|221-178-8|4-02-00-01731|BRN 1724176|E,Z-Ethyl 2,4-decadienoate|EC No.: 221-178-8|EINECS 221-178-8|Ethyl (2E,4Z)-2,4-decadienoate|Ethyl (2E,4Z)-decadienoate|Ethyl (E,Z)-2,4-decadienoate|Ethyl 2,4-decadienoate, (E,Z)-|Ethyl trans-2,cis-4-decadienoate|Ethyl-2-trans-4-cis-decadienoate|Ethyl-2E,4Z-Decadienoate|Ethyl(E,Z)-decadienoate|FEMA No. 3148|P.C. Code 144022|PC Code 144022|Pear ester|UNII-79P6KS9Y5Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041357
ERPathway2016 ERPathway2016_118 Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7 DTXSID0041357 ER Pathway Model, Agonist Call Active Unitless CCCCCC=C/C=C/C(=O)OCC Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7|Ethyl (2E,4Z)-deca-2,4-dienoate|2,4-Decadienoic acid, ethyl ester, (2E,4Z)-|2,4-Decadienoic acid, ethyl ester, (E,Z)-|221-178-8|4-02-00-01731|BRN 1724176|E,Z-Ethyl 2,4-decadienoate|EC No.: 221-178-8|EINECS 221-178-8|Ethyl (2E,4Z)-2,4-decadienoate|Ethyl (2E,4Z)-decadienoate|Ethyl (E,Z)-2,4-decadienoate|Ethyl 2,4-decadienoate, (E,Z)-|Ethyl trans-2,cis-4-decadienoate|Ethyl-2-trans-4-cis-decadienoate|Ethyl-2E,4Z-Decadienoate|Ethyl(E,Z)-decadienoate|FEMA No. 3148|P.C. Code 144022|PC Code 144022|Pear ester|UNII-79P6KS9Y5Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041357
ERPathway2016 ERPathway2016_118 Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7 DTXSID0041357 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCC=C/C=C/C(=O)OCC Ethyl (2E,4Z)-deca-2,4-dienoate 3025-30-7|Ethyl (2E,4Z)-deca-2,4-dienoate|2,4-Decadienoic acid, ethyl ester, (2E,4Z)-|2,4-Decadienoic acid, ethyl ester, (E,Z)-|221-178-8|4-02-00-01731|BRN 1724176|E,Z-Ethyl 2,4-decadienoate|EC No.: 221-178-8|EINECS 221-178-8|Ethyl (2E,4Z)-2,4-decadienoate|Ethyl (2E,4Z)-decadienoate|Ethyl (E,Z)-2,4-decadienoate|Ethyl 2,4-decadienoate, (E,Z)-|Ethyl trans-2,cis-4-decadienoate|Ethyl-2-trans-4-cis-decadienoate|Ethyl-2E,4Z-Decadienoate|Ethyl(E,Z)-decadienoate|FEMA No. 3148|P.C. Code 144022|PC Code 144022|Pear ester|UNII-79P6KS9Y5Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041357
ARPathway2016 ARPathway2016_994 Ethyl 1-naphthaleneacetate 2122-70-5 DTXSID3034583 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)CC1=CC=CC2=C1C=CC=C2 Ethyl 1-naphthaleneacetate 2122-70-5|Ethyl 1-naphthaleneacetate|2-(1-Naphthyl)acetic acid ethyl ester|BRN 1106730|Caswell No. 589AA|EINECS 218-332-1|EPA Pesticide Chemical Code 056008|Ethyl naphthaleneacetate|NSC 74497 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034583
ARPathway2016 ARPathway2016_994 Ethyl 1-naphthaleneacetate 2122-70-5 DTXSID3034583 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)CC1=CC=CC2=C1C=CC=C2 Ethyl 1-naphthaleneacetate 2122-70-5|Ethyl 1-naphthaleneacetate|2-(1-Naphthyl)acetic acid ethyl ester|BRN 1106730|Caswell No. 589AA|EINECS 218-332-1|EPA Pesticide Chemical Code 056008|Ethyl naphthaleneacetate|NSC 74497 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034583
ARPathway2016 ARPathway2016_994 Ethyl 1-naphthaleneacetate 2122-70-5 DTXSID3034583 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)CC1=CC=CC2=C1C=CC=C2 Ethyl 1-naphthaleneacetate 2122-70-5|Ethyl 1-naphthaleneacetate|2-(1-Naphthyl)acetic acid ethyl ester|BRN 1106730|Caswell No. 589AA|EINECS 218-332-1|EPA Pesticide Chemical Code 056008|Ethyl naphthaleneacetate|NSC 74497 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034583
ARPathway2016 ARPathway2016_994 Ethyl 1-naphthaleneacetate 2122-70-5 DTXSID3034583 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)CC1=CC=CC2=C1C=CC=C2 Ethyl 1-naphthaleneacetate 2122-70-5|Ethyl 1-naphthaleneacetate|2-(1-Naphthyl)acetic acid ethyl ester|BRN 1106730|Caswell No. 589AA|EINECS 218-332-1|EPA Pesticide Chemical Code 056008|Ethyl naphthaleneacetate|NSC 74497 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034583
ERPathway2016 ERPathway2016_999 Ethyl 1-naphthaleneacetate 2122-70-5 DTXSID3034583 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)CC1=CC=CC2=C1C=CC=C2 Ethyl 1-naphthaleneacetate 2122-70-5|Ethyl 1-naphthaleneacetate|2-(1-Naphthyl)acetic acid ethyl ester|BRN 1106730|Caswell No. 589AA|EINECS 218-332-1|EPA Pesticide Chemical Code 056008|Ethyl naphthaleneacetate|NSC 74497 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034583
ERPathway2016 ERPathway2016_999 Ethyl 1-naphthaleneacetate 2122-70-5 DTXSID3034583 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)CC1=CC=CC2=C1C=CC=C2 Ethyl 1-naphthaleneacetate 2122-70-5|Ethyl 1-naphthaleneacetate|2-(1-Naphthyl)acetic acid ethyl ester|BRN 1106730|Caswell No. 589AA|EINECS 218-332-1|EPA Pesticide Chemical Code 056008|Ethyl naphthaleneacetate|NSC 74497 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034583
ERPathway2016 ERPathway2016_999 Ethyl 1-naphthaleneacetate 2122-70-5 DTXSID3034583 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)CC1=CC=CC2=C1C=CC=C2 Ethyl 1-naphthaleneacetate 2122-70-5|Ethyl 1-naphthaleneacetate|2-(1-Naphthyl)acetic acid ethyl ester|BRN 1106730|Caswell No. 589AA|EINECS 218-332-1|EPA Pesticide Chemical Code 056008|Ethyl naphthaleneacetate|NSC 74497 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034583
ERPathway2016 ERPathway2016_999 Ethyl 1-naphthaleneacetate 2122-70-5 DTXSID3034583 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)CC1=CC=CC2=C1C=CC=C2 Ethyl 1-naphthaleneacetate 2122-70-5|Ethyl 1-naphthaleneacetate|2-(1-Naphthyl)acetic acid ethyl ester|BRN 1106730|Caswell No. 589AA|EINECS 218-332-1|EPA Pesticide Chemical Code 056008|Ethyl naphthaleneacetate|NSC 74497 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034583
ARPathway2016 ARPathway2016_687 Ethyl 2,3-epoxy-3-phenylpropionate 121-39-1 DTXSID8025886 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1OC1C1=CC=CC=C1 Ethyl 2,3-epoxy-3-phenylpropionate 121-39-1|Ethyl 2,3-epoxy-3-phenylpropionate|2-Ethyl-3-phenylglycidate|2-Oxiranecarboxylic acid, 3-phenyl-, ethyl ester|5-18-06-00373|BRN 0163394|EINECS 204-467-3|Ethyl 3-phenyl-2,3-epoxypropionate|Ethyl 3-phenylglycidate|Ethyl 3-phenyloxiranecarboxylate|Ethyl alpha,beta-epoxy-alpha-phenylpropionate|Ethyl alpha,beta-epoxyhydrocinnamate|Ethyl phenylglycidate|FEMA No. 2454|NSC 8899|UNII-2VVS520ZWM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025886 https://doi.org/10.22427/NTP-DATA-DTXSID8025886
ARPathway2016 ARPathway2016_687 Ethyl 2,3-epoxy-3-phenylpropionate 121-39-1 DTXSID8025886 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1OC1C1=CC=CC=C1 Ethyl 2,3-epoxy-3-phenylpropionate 121-39-1|Ethyl 2,3-epoxy-3-phenylpropionate|2-Ethyl-3-phenylglycidate|2-Oxiranecarboxylic acid, 3-phenyl-, ethyl ester|5-18-06-00373|BRN 0163394|EINECS 204-467-3|Ethyl 3-phenyl-2,3-epoxypropionate|Ethyl 3-phenylglycidate|Ethyl 3-phenyloxiranecarboxylate|Ethyl alpha,beta-epoxy-alpha-phenylpropionate|Ethyl alpha,beta-epoxyhydrocinnamate|Ethyl phenylglycidate|FEMA No. 2454|NSC 8899|UNII-2VVS520ZWM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025886 https://doi.org/10.22427/NTP-DATA-DTXSID8025886
ARPathway2016 ARPathway2016_687 Ethyl 2,3-epoxy-3-phenylpropionate 121-39-1 DTXSID8025886 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1OC1C1=CC=CC=C1 Ethyl 2,3-epoxy-3-phenylpropionate 121-39-1|Ethyl 2,3-epoxy-3-phenylpropionate|2-Ethyl-3-phenylglycidate|2-Oxiranecarboxylic acid, 3-phenyl-, ethyl ester|5-18-06-00373|BRN 0163394|EINECS 204-467-3|Ethyl 3-phenyl-2,3-epoxypropionate|Ethyl 3-phenylglycidate|Ethyl 3-phenyloxiranecarboxylate|Ethyl alpha,beta-epoxy-alpha-phenylpropionate|Ethyl alpha,beta-epoxyhydrocinnamate|Ethyl phenylglycidate|FEMA No. 2454|NSC 8899|UNII-2VVS520ZWM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025886 https://doi.org/10.22427/NTP-DATA-DTXSID8025886
ARPathway2016 ARPathway2016_687 Ethyl 2,3-epoxy-3-phenylpropionate 121-39-1 DTXSID8025886 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1OC1C1=CC=CC=C1 Ethyl 2,3-epoxy-3-phenylpropionate 121-39-1|Ethyl 2,3-epoxy-3-phenylpropionate|2-Ethyl-3-phenylglycidate|2-Oxiranecarboxylic acid, 3-phenyl-, ethyl ester|5-18-06-00373|BRN 0163394|EINECS 204-467-3|Ethyl 3-phenyl-2,3-epoxypropionate|Ethyl 3-phenylglycidate|Ethyl 3-phenyloxiranecarboxylate|Ethyl alpha,beta-epoxy-alpha-phenylpropionate|Ethyl alpha,beta-epoxyhydrocinnamate|Ethyl phenylglycidate|FEMA No. 2454|NSC 8899|UNII-2VVS520ZWM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025886 https://doi.org/10.22427/NTP-DATA-DTXSID8025886
ERPathway2016 ERPathway2016_704 Ethyl 2,3-epoxy-3-phenylpropionate 121-39-1 DTXSID8025886 A10 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1OC1C1=CC=CC=C1 Ethyl 2,3-epoxy-3-phenylpropionate 121-39-1|Ethyl 2,3-epoxy-3-phenylpropionate|2-Ethyl-3-phenylglycidate|2-Oxiranecarboxylic acid, 3-phenyl-, ethyl ester|5-18-06-00373|BRN 0163394|EINECS 204-467-3|Ethyl 3-phenyl-2,3-epoxypropionate|Ethyl 3-phenylglycidate|Ethyl 3-phenyloxiranecarboxylate|Ethyl alpha,beta-epoxy-alpha-phenylpropionate|Ethyl alpha,beta-epoxyhydrocinnamate|Ethyl phenylglycidate|FEMA No. 2454|NSC 8899|UNII-2VVS520ZWM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025886 https://doi.org/10.22427/NTP-DATA-DTXSID8025886
ERPathway2016 ERPathway2016_704 Ethyl 2,3-epoxy-3-phenylpropionate 121-39-1 DTXSID8025886 A10 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1OC1C1=CC=CC=C1 Ethyl 2,3-epoxy-3-phenylpropionate 121-39-1|Ethyl 2,3-epoxy-3-phenylpropionate|2-Ethyl-3-phenylglycidate|2-Oxiranecarboxylic acid, 3-phenyl-, ethyl ester|5-18-06-00373|BRN 0163394|EINECS 204-467-3|Ethyl 3-phenyl-2,3-epoxypropionate|Ethyl 3-phenylglycidate|Ethyl 3-phenyloxiranecarboxylate|Ethyl alpha,beta-epoxy-alpha-phenylpropionate|Ethyl alpha,beta-epoxyhydrocinnamate|Ethyl phenylglycidate|FEMA No. 2454|NSC 8899|UNII-2VVS520ZWM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025886 https://doi.org/10.22427/NTP-DATA-DTXSID8025886
ERPathway2016 ERPathway2016_704 Ethyl 2,3-epoxy-3-phenylpropionate 121-39-1 DTXSID8025886 A10 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1OC1C1=CC=CC=C1 Ethyl 2,3-epoxy-3-phenylpropionate 121-39-1|Ethyl 2,3-epoxy-3-phenylpropionate|2-Ethyl-3-phenylglycidate|2-Oxiranecarboxylic acid, 3-phenyl-, ethyl ester|5-18-06-00373|BRN 0163394|EINECS 204-467-3|Ethyl 3-phenyl-2,3-epoxypropionate|Ethyl 3-phenylglycidate|Ethyl 3-phenyloxiranecarboxylate|Ethyl alpha,beta-epoxy-alpha-phenylpropionate|Ethyl alpha,beta-epoxyhydrocinnamate|Ethyl phenylglycidate|FEMA No. 2454|NSC 8899|UNII-2VVS520ZWM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025886 https://doi.org/10.22427/NTP-DATA-DTXSID8025886
ERPathway2016 ERPathway2016_704 Ethyl 2,3-epoxy-3-phenylpropionate 121-39-1 DTXSID8025886 A10 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1OC1C1=CC=CC=C1 Ethyl 2,3-epoxy-3-phenylpropionate 121-39-1|Ethyl 2,3-epoxy-3-phenylpropionate|2-Ethyl-3-phenylglycidate|2-Oxiranecarboxylic acid, 3-phenyl-, ethyl ester|5-18-06-00373|BRN 0163394|EINECS 204-467-3|Ethyl 3-phenyl-2,3-epoxypropionate|Ethyl 3-phenylglycidate|Ethyl 3-phenyloxiranecarboxylate|Ethyl alpha,beta-epoxy-alpha-phenylpropionate|Ethyl alpha,beta-epoxyhydrocinnamate|Ethyl phenylglycidate|FEMA No. 2454|NSC 8899|UNII-2VVS520ZWM https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025886 https://doi.org/10.22427/NTP-DATA-DTXSID8025886
ARPathway2016 ARPathway2016_1659 Ethyl 2-methylbenzoate 87-24-1 DTXSID4040711 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1=C(C)C=CC=C1 Ethyl 2-methylbenzoate 87-24-1|Ethyl 2-methylbenzoate|EINECS 201-734-6|Ethyl orthotoluate|NSC 29048 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040711
ARPathway2016 ARPathway2016_1659 Ethyl 2-methylbenzoate 87-24-1 DTXSID4040711 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1=C(C)C=CC=C1 Ethyl 2-methylbenzoate 87-24-1|Ethyl 2-methylbenzoate|EINECS 201-734-6|Ethyl orthotoluate|NSC 29048 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040711
ARPathway2016 ARPathway2016_1659 Ethyl 2-methylbenzoate 87-24-1 DTXSID4040711 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1=C(C)C=CC=C1 Ethyl 2-methylbenzoate 87-24-1|Ethyl 2-methylbenzoate|EINECS 201-734-6|Ethyl orthotoluate|NSC 29048 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040711
ARPathway2016 ARPathway2016_1659 Ethyl 2-methylbenzoate 87-24-1 DTXSID4040711 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1=C(C)C=CC=C1 Ethyl 2-methylbenzoate 87-24-1|Ethyl 2-methylbenzoate|EINECS 201-734-6|Ethyl orthotoluate|NSC 29048 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040711
ERPathway2016 ERPathway2016_723 Ethyl 2-methylbenzoate 87-24-1 DTXSID4040711 A9 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1=C(C)C=CC=C1 Ethyl 2-methylbenzoate 87-24-1|Ethyl 2-methylbenzoate|EINECS 201-734-6|Ethyl orthotoluate|NSC 29048 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040711
ERPathway2016 ERPathway2016_723 Ethyl 2-methylbenzoate 87-24-1 DTXSID4040711 A9 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1=C(C)C=CC=C1 Ethyl 2-methylbenzoate 87-24-1|Ethyl 2-methylbenzoate|EINECS 201-734-6|Ethyl orthotoluate|NSC 29048 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040711
ERPathway2016 ERPathway2016_723 Ethyl 2-methylbenzoate 87-24-1 DTXSID4040711 A9 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1=C(C)C=CC=C1 Ethyl 2-methylbenzoate 87-24-1|Ethyl 2-methylbenzoate|EINECS 201-734-6|Ethyl orthotoluate|NSC 29048 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040711
ERPathway2016 ERPathway2016_723 Ethyl 2-methylbenzoate 87-24-1 DTXSID4040711 A9 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1=C(C)C=CC=C1 Ethyl 2-methylbenzoate 87-24-1|Ethyl 2-methylbenzoate|EINECS 201-734-6|Ethyl orthotoluate|NSC 29048 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040711
ARPathway2016 ARPathway2016_1421 Ethyl 4-chlorophenyl ketone 6285-05-8 DTXSID1048203 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(=O)C1=CC=C(Cl)C=C1 Ethyl 4-chlorophenyl ketone 6285-05-8|Ethyl 4-chlorophenyl ketone|4-07-00-00683|4'-Chloropropiophenone|BRN 1100638|EINECS 228-511-6|Ethyl p-chlorophenyl ketone|NSC 5600|p-Chloropropiophenone|Propiophenone, p-chloro-|UNII-26AY8WJA1E|USAF EK-5296 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048203
ARPathway2016 ARPathway2016_1421 Ethyl 4-chlorophenyl ketone 6285-05-8 DTXSID1048203 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC(=O)C1=CC=C(Cl)C=C1 Ethyl 4-chlorophenyl ketone 6285-05-8|Ethyl 4-chlorophenyl ketone|4-07-00-00683|4'-Chloropropiophenone|BRN 1100638|EINECS 228-511-6|Ethyl p-chlorophenyl ketone|NSC 5600|p-Chloropropiophenone|Propiophenone, p-chloro-|UNII-26AY8WJA1E|USAF EK-5296 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048203
ARPathway2016 ARPathway2016_1421 Ethyl 4-chlorophenyl ketone 6285-05-8 DTXSID1048203 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC(=O)C1=CC=C(Cl)C=C1 Ethyl 4-chlorophenyl ketone 6285-05-8|Ethyl 4-chlorophenyl ketone|4-07-00-00683|4'-Chloropropiophenone|BRN 1100638|EINECS 228-511-6|Ethyl p-chlorophenyl ketone|NSC 5600|p-Chloropropiophenone|Propiophenone, p-chloro-|UNII-26AY8WJA1E|USAF EK-5296 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048203
ARPathway2016 ARPathway2016_1421 Ethyl 4-chlorophenyl ketone 6285-05-8 DTXSID1048203 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC(=O)C1=CC=C(Cl)C=C1 Ethyl 4-chlorophenyl ketone 6285-05-8|Ethyl 4-chlorophenyl ketone|4-07-00-00683|4'-Chloropropiophenone|BRN 1100638|EINECS 228-511-6|Ethyl p-chlorophenyl ketone|NSC 5600|p-Chloropropiophenone|Propiophenone, p-chloro-|UNII-26AY8WJA1E|USAF EK-5296 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048203
ERPathway2016 ERPathway2016_970 Ethyl 4-chlorophenyl ketone 6285-05-8 DTXSID1048203 ER Pathway Model, Agonist Model Score 0 Unitless CCC(=O)C1=CC=C(Cl)C=C1 Ethyl 4-chlorophenyl ketone 6285-05-8|Ethyl 4-chlorophenyl ketone|4-07-00-00683|4'-Chloropropiophenone|BRN 1100638|EINECS 228-511-6|Ethyl p-chlorophenyl ketone|NSC 5600|p-Chloropropiophenone|Propiophenone, p-chloro-|UNII-26AY8WJA1E|USAF EK-5296 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048203
ERPathway2016 ERPathway2016_970 Ethyl 4-chlorophenyl ketone 6285-05-8 DTXSID1048203 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(=O)C1=CC=C(Cl)C=C1 Ethyl 4-chlorophenyl ketone 6285-05-8|Ethyl 4-chlorophenyl ketone|4-07-00-00683|4'-Chloropropiophenone|BRN 1100638|EINECS 228-511-6|Ethyl p-chlorophenyl ketone|NSC 5600|p-Chloropropiophenone|Propiophenone, p-chloro-|UNII-26AY8WJA1E|USAF EK-5296 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048203
ERPathway2016 ERPathway2016_970 Ethyl 4-chlorophenyl ketone 6285-05-8 DTXSID1048203 ER Pathway Model, Agonist Call Inactive Unitless CCC(=O)C1=CC=C(Cl)C=C1 Ethyl 4-chlorophenyl ketone 6285-05-8|Ethyl 4-chlorophenyl ketone|4-07-00-00683|4'-Chloropropiophenone|BRN 1100638|EINECS 228-511-6|Ethyl p-chlorophenyl ketone|NSC 5600|p-Chloropropiophenone|Propiophenone, p-chloro-|UNII-26AY8WJA1E|USAF EK-5296 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048203
ERPathway2016 ERPathway2016_970 Ethyl 4-chlorophenyl ketone 6285-05-8 DTXSID1048203 ER Pathway Model, Antagonist Call Inactive Unitless CCC(=O)C1=CC=C(Cl)C=C1 Ethyl 4-chlorophenyl ketone 6285-05-8|Ethyl 4-chlorophenyl ketone|4-07-00-00683|4'-Chloropropiophenone|BRN 1100638|EINECS 228-511-6|Ethyl p-chlorophenyl ketone|NSC 5600|p-Chloropropiophenone|Propiophenone, p-chloro-|UNII-26AY8WJA1E|USAF EK-5296 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048203
ARPathway2016 ARPathway2016_1734 Ethyl 4-methylbenzoate 94-08-6 DTXSID5048211 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1=CC=C(C)C=C1 Ethyl 4-methylbenzoate 94-08-6|Ethyl 4-methylbenzoate|EINECS 202-301-4|UNII-XUF0SQ8L2J https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048211
ARPathway2016 ARPathway2016_1734 Ethyl 4-methylbenzoate 94-08-6 DTXSID5048211 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1=CC=C(C)C=C1 Ethyl 4-methylbenzoate 94-08-6|Ethyl 4-methylbenzoate|EINECS 202-301-4|UNII-XUF0SQ8L2J https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048211
ARPathway2016 ARPathway2016_1734 Ethyl 4-methylbenzoate 94-08-6 DTXSID5048211 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1=CC=C(C)C=C1 Ethyl 4-methylbenzoate 94-08-6|Ethyl 4-methylbenzoate|EINECS 202-301-4|UNII-XUF0SQ8L2J https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048211
ARPathway2016 ARPathway2016_1734 Ethyl 4-methylbenzoate 94-08-6 DTXSID5048211 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1=CC=C(C)C=C1 Ethyl 4-methylbenzoate 94-08-6|Ethyl 4-methylbenzoate|EINECS 202-301-4|UNII-XUF0SQ8L2J https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048211
ERPathway2016 ERPathway2016_1752 Ethyl 4-methylbenzoate 94-08-6 DTXSID5048211 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1=CC=C(C)C=C1 Ethyl 4-methylbenzoate 94-08-6|Ethyl 4-methylbenzoate|EINECS 202-301-4|UNII-XUF0SQ8L2J https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048211
ERPathway2016 ERPathway2016_1752 Ethyl 4-methylbenzoate 94-08-6 DTXSID5048211 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1=CC=C(C)C=C1 Ethyl 4-methylbenzoate 94-08-6|Ethyl 4-methylbenzoate|EINECS 202-301-4|UNII-XUF0SQ8L2J https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048211
ERPathway2016 ERPathway2016_1752 Ethyl 4-methylbenzoate 94-08-6 DTXSID5048211 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1=CC=C(C)C=C1 Ethyl 4-methylbenzoate 94-08-6|Ethyl 4-methylbenzoate|EINECS 202-301-4|UNII-XUF0SQ8L2J https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048211
ERPathway2016 ERPathway2016_1752 Ethyl 4-methylbenzoate 94-08-6 DTXSID5048211 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1=CC=C(C)C=C1 Ethyl 4-methylbenzoate 94-08-6|Ethyl 4-methylbenzoate|EINECS 202-301-4|UNII-XUF0SQ8L2J https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048211
ARPathway2016 ARPathway2016_917 Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate 163520-33-0 DTXSID7040360 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1=NOC(C1)(C1=CC=CC=C1)C1=CC=CC=C1 Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate 163520-33-0|Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate|3-Isoxazolecarboxylic acid, 4,5-dihydro-5,5-diphenyl-, ethyl ester|4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylic acid, ethyl ester|ethyl 4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylate|ethyl 4,5-dihydro-5,5-diphenyl-3-isoxazolecarboxylate|Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate|Isoxadifen ethyl|Isoxadifen-ethyl|UNII-71LF32W32E https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040360
ARPathway2016 ARPathway2016_917 Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate 163520-33-0 DTXSID7040360 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1=NOC(C1)(C1=CC=CC=C1)C1=CC=CC=C1 Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate 163520-33-0|Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate|3-Isoxazolecarboxylic acid, 4,5-dihydro-5,5-diphenyl-, ethyl ester|4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylic acid, ethyl ester|ethyl 4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylate|ethyl 4,5-dihydro-5,5-diphenyl-3-isoxazolecarboxylate|Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate|Isoxadifen ethyl|Isoxadifen-ethyl|UNII-71LF32W32E https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040360
ARPathway2016 ARPathway2016_917 Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate 163520-33-0 DTXSID7040360 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1=NOC(C1)(C1=CC=CC=C1)C1=CC=CC=C1 Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate 163520-33-0|Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate|3-Isoxazolecarboxylic acid, 4,5-dihydro-5,5-diphenyl-, ethyl ester|4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylic acid, ethyl ester|ethyl 4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylate|ethyl 4,5-dihydro-5,5-diphenyl-3-isoxazolecarboxylate|Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate|Isoxadifen ethyl|Isoxadifen-ethyl|UNII-71LF32W32E https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040360
ARPathway2016 ARPathway2016_917 Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate 163520-33-0 DTXSID7040360 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1=NOC(C1)(C1=CC=CC=C1)C1=CC=CC=C1 Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate 163520-33-0|Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate|3-Isoxazolecarboxylic acid, 4,5-dihydro-5,5-diphenyl-, ethyl ester|4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylic acid, ethyl ester|ethyl 4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylate|ethyl 4,5-dihydro-5,5-diphenyl-3-isoxazolecarboxylate|Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate|Isoxadifen ethyl|Isoxadifen-ethyl|UNII-71LF32W32E https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040360
ERPathway2016 ERPathway2016_1337 Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate 163520-33-0 DTXSID7040360 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1=NOC(C1)(C1=CC=CC=C1)C1=CC=CC=C1 Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate 163520-33-0|Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate|3-Isoxazolecarboxylic acid, 4,5-dihydro-5,5-diphenyl-, ethyl ester|4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylic acid, ethyl ester|ethyl 4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylate|ethyl 4,5-dihydro-5,5-diphenyl-3-isoxazolecarboxylate|Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate|Isoxadifen ethyl|Isoxadifen-ethyl|UNII-71LF32W32E https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040360
ERPathway2016 ERPathway2016_1337 Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate 163520-33-0 DTXSID7040360 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1=NOC(C1)(C1=CC=CC=C1)C1=CC=CC=C1 Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate 163520-33-0|Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate|3-Isoxazolecarboxylic acid, 4,5-dihydro-5,5-diphenyl-, ethyl ester|4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylic acid, ethyl ester|ethyl 4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylate|ethyl 4,5-dihydro-5,5-diphenyl-3-isoxazolecarboxylate|Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate|Isoxadifen ethyl|Isoxadifen-ethyl|UNII-71LF32W32E https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040360
ERPathway2016 ERPathway2016_1337 Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate 163520-33-0 DTXSID7040360 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1=NOC(C1)(C1=CC=CC=C1)C1=CC=CC=C1 Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate 163520-33-0|Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate|3-Isoxazolecarboxylic acid, 4,5-dihydro-5,5-diphenyl-, ethyl ester|4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylic acid, ethyl ester|ethyl 4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylate|ethyl 4,5-dihydro-5,5-diphenyl-3-isoxazolecarboxylate|Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate|Isoxadifen ethyl|Isoxadifen-ethyl|UNII-71LF32W32E https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040360
ERPathway2016 ERPathway2016_1337 Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate 163520-33-0 DTXSID7040360 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1=NOC(C1)(C1=CC=CC=C1)C1=CC=CC=C1 Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate 163520-33-0|Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate|3-Isoxazolecarboxylic acid, 4,5-dihydro-5,5-diphenyl-, ethyl ester|4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylic acid, ethyl ester|ethyl 4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylate|ethyl 4,5-dihydro-5,5-diphenyl-3-isoxazolecarboxylate|Ethyl 5,5-diphenyl-2-isoxazoline-3-carboxylate|Isoxadifen ethyl|Isoxadifen-ethyl|UNII-71LF32W32E https://comptox.epa.gov/dashboard/chemical/details/DTXSID7040360
ARPathway2016 ARPathway2016_1661 Ethyl anthranilate 87-25-2 DTXSID6025272 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1=C(N)C=CC=C1 Ethyl anthranilate 87-25-2|Ethyl anthranilate|(2-(Ethoxycarbonyl)phenyl)amine|2-(Ethoxycarbonyl)aniline|2-Aminobenzoic acid ethyl ester|2-Carboethoxyaniline|Anthranilic acid, ethyl ester|BENZOATE, 2-AMINO-, ETHYL|Benzoic acid, 2- amino- , ethyl ester|BRN 0878874|EINECS 201-735-1|Ethyl 2-aminobenzoate|ethyl anthranilate|Ethyl o-aminobenzoate|FEMA No. 2421|NSC 4146|o-(Ethoxycarbonyl)aniline|UNII-38Y050IUE4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025272 https://doi.org/10.22427/NTP-DATA-DTXSID6025272
ARPathway2016 ARPathway2016_1661 Ethyl anthranilate 87-25-2 DTXSID6025272 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1=C(N)C=CC=C1 Ethyl anthranilate 87-25-2|Ethyl anthranilate|(2-(Ethoxycarbonyl)phenyl)amine|2-(Ethoxycarbonyl)aniline|2-Aminobenzoic acid ethyl ester|2-Carboethoxyaniline|Anthranilic acid, ethyl ester|BENZOATE, 2-AMINO-, ETHYL|Benzoic acid, 2- amino- , ethyl ester|BRN 0878874|EINECS 201-735-1|Ethyl 2-aminobenzoate|ethyl anthranilate|Ethyl o-aminobenzoate|FEMA No. 2421|NSC 4146|o-(Ethoxycarbonyl)aniline|UNII-38Y050IUE4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025272 https://doi.org/10.22427/NTP-DATA-DTXSID6025272
ARPathway2016 ARPathway2016_1661 Ethyl anthranilate 87-25-2 DTXSID6025272 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1=C(N)C=CC=C1 Ethyl anthranilate 87-25-2|Ethyl anthranilate|(2-(Ethoxycarbonyl)phenyl)amine|2-(Ethoxycarbonyl)aniline|2-Aminobenzoic acid ethyl ester|2-Carboethoxyaniline|Anthranilic acid, ethyl ester|BENZOATE, 2-AMINO-, ETHYL|Benzoic acid, 2- amino- , ethyl ester|BRN 0878874|EINECS 201-735-1|Ethyl 2-aminobenzoate|ethyl anthranilate|Ethyl o-aminobenzoate|FEMA No. 2421|NSC 4146|o-(Ethoxycarbonyl)aniline|UNII-38Y050IUE4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025272 https://doi.org/10.22427/NTP-DATA-DTXSID6025272
ARPathway2016 ARPathway2016_1661 Ethyl anthranilate 87-25-2 DTXSID6025272 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1=C(N)C=CC=C1 Ethyl anthranilate 87-25-2|Ethyl anthranilate|(2-(Ethoxycarbonyl)phenyl)amine|2-(Ethoxycarbonyl)aniline|2-Aminobenzoic acid ethyl ester|2-Carboethoxyaniline|Anthranilic acid, ethyl ester|BENZOATE, 2-AMINO-, ETHYL|Benzoic acid, 2- amino- , ethyl ester|BRN 0878874|EINECS 201-735-1|Ethyl 2-aminobenzoate|ethyl anthranilate|Ethyl o-aminobenzoate|FEMA No. 2421|NSC 4146|o-(Ethoxycarbonyl)aniline|UNII-38Y050IUE4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025272 https://doi.org/10.22427/NTP-DATA-DTXSID6025272
ERPathway2016 ERPathway2016_1713 Ethyl anthranilate 87-25-2 DTXSID6025272 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1=C(N)C=CC=C1 Ethyl anthranilate 87-25-2|Ethyl anthranilate|(2-(Ethoxycarbonyl)phenyl)amine|2-(Ethoxycarbonyl)aniline|2-Aminobenzoic acid ethyl ester|2-Carboethoxyaniline|Anthranilic acid, ethyl ester|BENZOATE, 2-AMINO-, ETHYL|Benzoic acid, 2- amino- , ethyl ester|BRN 0878874|EINECS 201-735-1|Ethyl 2-aminobenzoate|ethyl anthranilate|Ethyl o-aminobenzoate|FEMA No. 2421|NSC 4146|o-(Ethoxycarbonyl)aniline|UNII-38Y050IUE4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025272 https://doi.org/10.22427/NTP-DATA-DTXSID6025272
ERPathway2016 ERPathway2016_1713 Ethyl anthranilate 87-25-2 DTXSID6025272 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1=C(N)C=CC=C1 Ethyl anthranilate 87-25-2|Ethyl anthranilate|(2-(Ethoxycarbonyl)phenyl)amine|2-(Ethoxycarbonyl)aniline|2-Aminobenzoic acid ethyl ester|2-Carboethoxyaniline|Anthranilic acid, ethyl ester|BENZOATE, 2-AMINO-, ETHYL|Benzoic acid, 2- amino- , ethyl ester|BRN 0878874|EINECS 201-735-1|Ethyl 2-aminobenzoate|ethyl anthranilate|Ethyl o-aminobenzoate|FEMA No. 2421|NSC 4146|o-(Ethoxycarbonyl)aniline|UNII-38Y050IUE4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025272 https://doi.org/10.22427/NTP-DATA-DTXSID6025272
ERPathway2016 ERPathway2016_1713 Ethyl anthranilate 87-25-2 DTXSID6025272 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1=C(N)C=CC=C1 Ethyl anthranilate 87-25-2|Ethyl anthranilate|(2-(Ethoxycarbonyl)phenyl)amine|2-(Ethoxycarbonyl)aniline|2-Aminobenzoic acid ethyl ester|2-Carboethoxyaniline|Anthranilic acid, ethyl ester|BENZOATE, 2-AMINO-, ETHYL|Benzoic acid, 2- amino- , ethyl ester|BRN 0878874|EINECS 201-735-1|Ethyl 2-aminobenzoate|ethyl anthranilate|Ethyl o-aminobenzoate|FEMA No. 2421|NSC 4146|o-(Ethoxycarbonyl)aniline|UNII-38Y050IUE4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025272 https://doi.org/10.22427/NTP-DATA-DTXSID6025272
ERPathway2016 ERPathway2016_1713 Ethyl anthranilate 87-25-2 DTXSID6025272 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1=C(N)C=CC=C1 Ethyl anthranilate 87-25-2|Ethyl anthranilate|(2-(Ethoxycarbonyl)phenyl)amine|2-(Ethoxycarbonyl)aniline|2-Aminobenzoic acid ethyl ester|2-Carboethoxyaniline|Anthranilic acid, ethyl ester|BENZOATE, 2-AMINO-, ETHYL|Benzoic acid, 2- amino- , ethyl ester|BRN 0878874|EINECS 201-735-1|Ethyl 2-aminobenzoate|ethyl anthranilate|Ethyl o-aminobenzoate|FEMA No. 2421|NSC 4146|o-(Ethoxycarbonyl)aniline|UNII-38Y050IUE4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025272 https://doi.org/10.22427/NTP-DATA-DTXSID6025272
ARPathway2016 ARPathway2016_1731 Ethyl benzoate 93-89-0 DTXSID3038696 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1=CC=CC=C1 Ethyl benzoate 93-89-0|Ethyl benzoate|Benzoate d'ethyle|BENZOATE, ETHYL|benzoato de etilo|BENZOESAEURE-AETHYLESTER|Benzoic acid, ethyl ester|Benzoic ether|Benzoyl ethyl ether|EINECS 202-284-3|Ethyl benzenecarboxylate|Ethylbenzoat|Ethylester kyseliny benzoove|FEMA No. 2422|NSC 8884|UNII-J115BRJ15H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038696
ARPathway2016 ARPathway2016_1731 Ethyl benzoate 93-89-0 DTXSID3038696 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1=CC=CC=C1 Ethyl benzoate 93-89-0|Ethyl benzoate|Benzoate d'ethyle|BENZOATE, ETHYL|benzoato de etilo|BENZOESAEURE-AETHYLESTER|Benzoic acid, ethyl ester|Benzoic ether|Benzoyl ethyl ether|EINECS 202-284-3|Ethyl benzenecarboxylate|Ethylbenzoat|Ethylester kyseliny benzoove|FEMA No. 2422|NSC 8884|UNII-J115BRJ15H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038696
ARPathway2016 ARPathway2016_1731 Ethyl benzoate 93-89-0 DTXSID3038696 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1=CC=CC=C1 Ethyl benzoate 93-89-0|Ethyl benzoate|Benzoate d'ethyle|BENZOATE, ETHYL|benzoato de etilo|BENZOESAEURE-AETHYLESTER|Benzoic acid, ethyl ester|Benzoic ether|Benzoyl ethyl ether|EINECS 202-284-3|Ethyl benzenecarboxylate|Ethylbenzoat|Ethylester kyseliny benzoove|FEMA No. 2422|NSC 8884|UNII-J115BRJ15H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038696
ARPathway2016 ARPathway2016_1731 Ethyl benzoate 93-89-0 DTXSID3038696 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1=CC=CC=C1 Ethyl benzoate 93-89-0|Ethyl benzoate|Benzoate d'ethyle|BENZOATE, ETHYL|benzoato de etilo|BENZOESAEURE-AETHYLESTER|Benzoic acid, ethyl ester|Benzoic ether|Benzoyl ethyl ether|EINECS 202-284-3|Ethyl benzenecarboxylate|Ethylbenzoat|Ethylester kyseliny benzoove|FEMA No. 2422|NSC 8884|UNII-J115BRJ15H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038696
ERPathway2016 ERPathway2016_1750 Ethyl benzoate 93-89-0 DTXSID3038696 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1=CC=CC=C1 Ethyl benzoate 93-89-0|Ethyl benzoate|Benzoate d'ethyle|BENZOATE, ETHYL|benzoato de etilo|BENZOESAEURE-AETHYLESTER|Benzoic acid, ethyl ester|Benzoic ether|Benzoyl ethyl ether|EINECS 202-284-3|Ethyl benzenecarboxylate|Ethylbenzoat|Ethylester kyseliny benzoove|FEMA No. 2422|NSC 8884|UNII-J115BRJ15H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038696
ERPathway2016 ERPathway2016_1750 Ethyl benzoate 93-89-0 DTXSID3038696 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1=CC=CC=C1 Ethyl benzoate 93-89-0|Ethyl benzoate|Benzoate d'ethyle|BENZOATE, ETHYL|benzoato de etilo|BENZOESAEURE-AETHYLESTER|Benzoic acid, ethyl ester|Benzoic ether|Benzoyl ethyl ether|EINECS 202-284-3|Ethyl benzenecarboxylate|Ethylbenzoat|Ethylester kyseliny benzoove|FEMA No. 2422|NSC 8884|UNII-J115BRJ15H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038696
ERPathway2016 ERPathway2016_1750 Ethyl benzoate 93-89-0 DTXSID3038696 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1=CC=CC=C1 Ethyl benzoate 93-89-0|Ethyl benzoate|Benzoate d'ethyle|BENZOATE, ETHYL|benzoato de etilo|BENZOESAEURE-AETHYLESTER|Benzoic acid, ethyl ester|Benzoic ether|Benzoyl ethyl ether|EINECS 202-284-3|Ethyl benzenecarboxylate|Ethylbenzoat|Ethylester kyseliny benzoove|FEMA No. 2422|NSC 8884|UNII-J115BRJ15H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038696
ERPathway2016 ERPathway2016_1750 Ethyl benzoate 93-89-0 DTXSID3038696 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1=CC=CC=C1 Ethyl benzoate 93-89-0|Ethyl benzoate|Benzoate d'ethyle|BENZOATE, ETHYL|benzoato de etilo|BENZOESAEURE-AETHYLESTER|Benzoic acid, ethyl ester|Benzoic ether|Benzoyl ethyl ether|EINECS 202-284-3|Ethyl benzenecarboxylate|Ethylbenzoat|Ethylester kyseliny benzoove|FEMA No. 2422|NSC 8884|UNII-J115BRJ15H https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038696
ARPathway2016 ARPathway2016_458 Ethyl butyrate 105-54-4 DTXSID6040111 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC(=O)OCC Ethyl butyrate 105-54-4|Ethyl butyrate|4-02-00-00787|BRN 0506331|BUTANOATE, ETHYL|Butanoic acid ethyl ester|Butanoic acid, ethyl ester|butirato de etilo|BUTTERSAEURE-AETHYLESTER|Butyrate d'ethyle|Butyric acid ethyl ester|Butyric acid, ester with EtOH|Butyric acid, ethyl ester|Butyric ester|Butyric ether|EINECS 203-306-4|Ethyl 1-butyrate|Ethyl butanoate|Ethyl ester of butanoic acid|Ethyl n-butanoate|Ethyl n-butyrate|Ethylbutyrat|FEMA 2427|FEMA No. 2427|FEMA Number 2427|N-Butyric acid ethyl ester|NSC 8857|UN 1180|UNII-UFD2LZ005D https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040111 https://doi.org/10.22427/NTP-DATA-DTXSID6040111
ARPathway2016 ARPathway2016_458 Ethyl butyrate 105-54-4 DTXSID6040111 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCC(=O)OCC Ethyl butyrate 105-54-4|Ethyl butyrate|4-02-00-00787|BRN 0506331|BUTANOATE, ETHYL|Butanoic acid ethyl ester|Butanoic acid, ethyl ester|butirato de etilo|BUTTERSAEURE-AETHYLESTER|Butyrate d'ethyle|Butyric acid ethyl ester|Butyric acid, ester with EtOH|Butyric acid, ethyl ester|Butyric ester|Butyric ether|EINECS 203-306-4|Ethyl 1-butyrate|Ethyl butanoate|Ethyl ester of butanoic acid|Ethyl n-butanoate|Ethyl n-butyrate|Ethylbutyrat|FEMA 2427|FEMA No. 2427|FEMA Number 2427|N-Butyric acid ethyl ester|NSC 8857|UN 1180|UNII-UFD2LZ005D https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040111 https://doi.org/10.22427/NTP-DATA-DTXSID6040111
ARPathway2016 ARPathway2016_458 Ethyl butyrate 105-54-4 DTXSID6040111 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCC(=O)OCC Ethyl butyrate 105-54-4|Ethyl butyrate|4-02-00-00787|BRN 0506331|BUTANOATE, ETHYL|Butanoic acid ethyl ester|Butanoic acid, ethyl ester|butirato de etilo|BUTTERSAEURE-AETHYLESTER|Butyrate d'ethyle|Butyric acid ethyl ester|Butyric acid, ester with EtOH|Butyric acid, ethyl ester|Butyric ester|Butyric ether|EINECS 203-306-4|Ethyl 1-butyrate|Ethyl butanoate|Ethyl ester of butanoic acid|Ethyl n-butanoate|Ethyl n-butyrate|Ethylbutyrat|FEMA 2427|FEMA No. 2427|FEMA Number 2427|N-Butyric acid ethyl ester|NSC 8857|UN 1180|UNII-UFD2LZ005D https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040111 https://doi.org/10.22427/NTP-DATA-DTXSID6040111
ARPathway2016 ARPathway2016_458 Ethyl butyrate 105-54-4 DTXSID6040111 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCC(=O)OCC Ethyl butyrate 105-54-4|Ethyl butyrate|4-02-00-00787|BRN 0506331|BUTANOATE, ETHYL|Butanoic acid ethyl ester|Butanoic acid, ethyl ester|butirato de etilo|BUTTERSAEURE-AETHYLESTER|Butyrate d'ethyle|Butyric acid ethyl ester|Butyric acid, ester with EtOH|Butyric acid, ethyl ester|Butyric ester|Butyric ether|EINECS 203-306-4|Ethyl 1-butyrate|Ethyl butanoate|Ethyl ester of butanoic acid|Ethyl n-butanoate|Ethyl n-butyrate|Ethylbutyrat|FEMA 2427|FEMA No. 2427|FEMA Number 2427|N-Butyric acid ethyl ester|NSC 8857|UN 1180|UNII-UFD2LZ005D https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040111 https://doi.org/10.22427/NTP-DATA-DTXSID6040111
ERPathway2016 ERPathway2016_1083 Ethyl butyrate 105-54-4 DTXSID6040111 ER Pathway Model, Agonist Model Score 0 Unitless CCCC(=O)OCC Ethyl butyrate 105-54-4|Ethyl butyrate|4-02-00-00787|BRN 0506331|BUTANOATE, ETHYL|Butanoic acid ethyl ester|Butanoic acid, ethyl ester|butirato de etilo|BUTTERSAEURE-AETHYLESTER|Butyrate d'ethyle|Butyric acid ethyl ester|Butyric acid, ester with EtOH|Butyric acid, ethyl ester|Butyric ester|Butyric ether|EINECS 203-306-4|Ethyl 1-butyrate|Ethyl butanoate|Ethyl ester of butanoic acid|Ethyl n-butanoate|Ethyl n-butyrate|Ethylbutyrat|FEMA 2427|FEMA No. 2427|FEMA Number 2427|N-Butyric acid ethyl ester|NSC 8857|UN 1180|UNII-UFD2LZ005D https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040111 https://doi.org/10.22427/NTP-DATA-DTXSID6040111
ERPathway2016 ERPathway2016_1083 Ethyl butyrate 105-54-4 DTXSID6040111 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC(=O)OCC Ethyl butyrate 105-54-4|Ethyl butyrate|4-02-00-00787|BRN 0506331|BUTANOATE, ETHYL|Butanoic acid ethyl ester|Butanoic acid, ethyl ester|butirato de etilo|BUTTERSAEURE-AETHYLESTER|Butyrate d'ethyle|Butyric acid ethyl ester|Butyric acid, ester with EtOH|Butyric acid, ethyl ester|Butyric ester|Butyric ether|EINECS 203-306-4|Ethyl 1-butyrate|Ethyl butanoate|Ethyl ester of butanoic acid|Ethyl n-butanoate|Ethyl n-butyrate|Ethylbutyrat|FEMA 2427|FEMA No. 2427|FEMA Number 2427|N-Butyric acid ethyl ester|NSC 8857|UN 1180|UNII-UFD2LZ005D https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040111 https://doi.org/10.22427/NTP-DATA-DTXSID6040111
ERPathway2016 ERPathway2016_1083 Ethyl butyrate 105-54-4 DTXSID6040111 ER Pathway Model, Agonist Call Inactive Unitless CCCC(=O)OCC Ethyl butyrate 105-54-4|Ethyl butyrate|4-02-00-00787|BRN 0506331|BUTANOATE, ETHYL|Butanoic acid ethyl ester|Butanoic acid, ethyl ester|butirato de etilo|BUTTERSAEURE-AETHYLESTER|Butyrate d'ethyle|Butyric acid ethyl ester|Butyric acid, ester with EtOH|Butyric acid, ethyl ester|Butyric ester|Butyric ether|EINECS 203-306-4|Ethyl 1-butyrate|Ethyl butanoate|Ethyl ester of butanoic acid|Ethyl n-butanoate|Ethyl n-butyrate|Ethylbutyrat|FEMA 2427|FEMA No. 2427|FEMA Number 2427|N-Butyric acid ethyl ester|NSC 8857|UN 1180|UNII-UFD2LZ005D https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040111 https://doi.org/10.22427/NTP-DATA-DTXSID6040111
ERPathway2016 ERPathway2016_1083 Ethyl butyrate 105-54-4 DTXSID6040111 ER Pathway Model, Antagonist Call Inactive Unitless CCCC(=O)OCC Ethyl butyrate 105-54-4|Ethyl butyrate|4-02-00-00787|BRN 0506331|BUTANOATE, ETHYL|Butanoic acid ethyl ester|Butanoic acid, ethyl ester|butirato de etilo|BUTTERSAEURE-AETHYLESTER|Butyrate d'ethyle|Butyric acid ethyl ester|Butyric acid, ester with EtOH|Butyric acid, ethyl ester|Butyric ester|Butyric ether|EINECS 203-306-4|Ethyl 1-butyrate|Ethyl butanoate|Ethyl ester of butanoic acid|Ethyl n-butanoate|Ethyl n-butyrate|Ethylbutyrat|FEMA 2427|FEMA No. 2427|FEMA Number 2427|N-Butyric acid ethyl ester|NSC 8857|UN 1180|UNII-UFD2LZ005D https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040111 https://doi.org/10.22427/NTP-DATA-DTXSID6040111
ARPathway2016 ARPathway2016_822 Ethyl diethanolamine 139-87-7 DTXSID8041955 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCN(CCO)CCO Ethyl diethanolamine 139-87-7|Ethyl diethanolamine|2-(N-Ethyl-N-2-hydroxyethylamino)ethanol|2,2'-(Ethylimino)bisethanol|2,2'-(Ethylimino)diethanol|BRN 1735791|Diethanolethylamine|EINECS 205-379-8|Ethanol, 2,2'-(ethylimino)bis-|Ethylbis(2-hydroxyethyl)amine|N-Ethyl-2,2'-iminodiethanol|UNII-143560H1KL https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041955
ARPathway2016 ARPathway2016_822 Ethyl diethanolamine 139-87-7 DTXSID8041955 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCN(CCO)CCO Ethyl diethanolamine 139-87-7|Ethyl diethanolamine|2-(N-Ethyl-N-2-hydroxyethylamino)ethanol|2,2'-(Ethylimino)bisethanol|2,2'-(Ethylimino)diethanol|BRN 1735791|Diethanolethylamine|EINECS 205-379-8|Ethanol, 2,2'-(ethylimino)bis-|Ethylbis(2-hydroxyethyl)amine|N-Ethyl-2,2'-iminodiethanol|UNII-143560H1KL https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041955
ARPathway2016 ARPathway2016_822 Ethyl diethanolamine 139-87-7 DTXSID8041955 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCN(CCO)CCO Ethyl diethanolamine 139-87-7|Ethyl diethanolamine|2-(N-Ethyl-N-2-hydroxyethylamino)ethanol|2,2'-(Ethylimino)bisethanol|2,2'-(Ethylimino)diethanol|BRN 1735791|Diethanolethylamine|EINECS 205-379-8|Ethanol, 2,2'-(ethylimino)bis-|Ethylbis(2-hydroxyethyl)amine|N-Ethyl-2,2'-iminodiethanol|UNII-143560H1KL https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041955
ARPathway2016 ARPathway2016_822 Ethyl diethanolamine 139-87-7 DTXSID8041955 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCN(CCO)CCO Ethyl diethanolamine 139-87-7|Ethyl diethanolamine|2-(N-Ethyl-N-2-hydroxyethylamino)ethanol|2,2'-(Ethylimino)bisethanol|2,2'-(Ethylimino)diethanol|BRN 1735791|Diethanolethylamine|EINECS 205-379-8|Ethanol, 2,2'-(ethylimino)bis-|Ethylbis(2-hydroxyethyl)amine|N-Ethyl-2,2'-iminodiethanol|UNII-143560H1KL https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041955
ERPathway2016 ERPathway2016_1293 Ethyl diethanolamine 139-87-7 DTXSID8041955 ER Pathway Model, Agonist Model Score 0 Unitless CCN(CCO)CCO Ethyl diethanolamine 139-87-7|Ethyl diethanolamine|2-(N-Ethyl-N-2-hydroxyethylamino)ethanol|2,2'-(Ethylimino)bisethanol|2,2'-(Ethylimino)diethanol|BRN 1735791|Diethanolethylamine|EINECS 205-379-8|Ethanol, 2,2'-(ethylimino)bis-|Ethylbis(2-hydroxyethyl)amine|N-Ethyl-2,2'-iminodiethanol|UNII-143560H1KL https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041955
ERPathway2016 ERPathway2016_1293 Ethyl diethanolamine 139-87-7 DTXSID8041955 ER Pathway Model, Antagonist Model Score 0 Unitless CCN(CCO)CCO Ethyl diethanolamine 139-87-7|Ethyl diethanolamine|2-(N-Ethyl-N-2-hydroxyethylamino)ethanol|2,2'-(Ethylimino)bisethanol|2,2'-(Ethylimino)diethanol|BRN 1735791|Diethanolethylamine|EINECS 205-379-8|Ethanol, 2,2'-(ethylimino)bis-|Ethylbis(2-hydroxyethyl)amine|N-Ethyl-2,2'-iminodiethanol|UNII-143560H1KL https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041955
ERPathway2016 ERPathway2016_1293 Ethyl diethanolamine 139-87-7 DTXSID8041955 ER Pathway Model, Agonist Call Inactive Unitless CCN(CCO)CCO Ethyl diethanolamine 139-87-7|Ethyl diethanolamine|2-(N-Ethyl-N-2-hydroxyethylamino)ethanol|2,2'-(Ethylimino)bisethanol|2,2'-(Ethylimino)diethanol|BRN 1735791|Diethanolethylamine|EINECS 205-379-8|Ethanol, 2,2'-(ethylimino)bis-|Ethylbis(2-hydroxyethyl)amine|N-Ethyl-2,2'-iminodiethanol|UNII-143560H1KL https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041955
ERPathway2016 ERPathway2016_1293 Ethyl diethanolamine 139-87-7 DTXSID8041955 ER Pathway Model, Antagonist Call Inactive Unitless CCN(CCO)CCO Ethyl diethanolamine 139-87-7|Ethyl diethanolamine|2-(N-Ethyl-N-2-hydroxyethylamino)ethanol|2,2'-(Ethylimino)bisethanol|2,2'-(Ethylimino)diethanol|BRN 1735791|Diethanolethylamine|EINECS 205-379-8|Ethanol, 2,2'-(ethylimino)bis-|Ethylbis(2-hydroxyethyl)amine|N-Ethyl-2,2'-iminodiethanol|UNII-143560H1KL https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041955
ARPathway2016 ARPathway2016_470 Ethyl heptanoate 106-30-9 DTXSID1040112 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC(=O)OCC Ethyl heptanoate 106-30-9|Ethyl heptanoate|Aether oenanthicus|BRN 1752311|Cognac oil|EINECS 203-382-9|Enanthic acid ethyl ester|Enanthylic ether|Ethyl enanthate|Ethyl heptanoic acid|Ethyl heptoate|Ethyl heptoic acid|Ethyl heptylate|Ethyl N-heptanoate|Ethyl N-heptanoic acid|Ethyl oenanthate|Ethyl oenanthylate|FEMA No. 2437|Grape oil|heptanoic acid ethyl ester|Heptanoic acid, ethyl ester|NSC 8891|Oenanthic ether|Oleum vitis viniferae|UNII-45R404Y5X8|Wine oil https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040112 https://doi.org/10.22427/NTP-DATA-DTXSID1040112
ARPathway2016 ARPathway2016_470 Ethyl heptanoate 106-30-9 DTXSID1040112 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCC(=O)OCC Ethyl heptanoate 106-30-9|Ethyl heptanoate|Aether oenanthicus|BRN 1752311|Cognac oil|EINECS 203-382-9|Enanthic acid ethyl ester|Enanthylic ether|Ethyl enanthate|Ethyl heptanoic acid|Ethyl heptoate|Ethyl heptoic acid|Ethyl heptylate|Ethyl N-heptanoate|Ethyl N-heptanoic acid|Ethyl oenanthate|Ethyl oenanthylate|FEMA No. 2437|Grape oil|heptanoic acid ethyl ester|Heptanoic acid, ethyl ester|NSC 8891|Oenanthic ether|Oleum vitis viniferae|UNII-45R404Y5X8|Wine oil https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040112 https://doi.org/10.22427/NTP-DATA-DTXSID1040112
ARPathway2016 ARPathway2016_470 Ethyl heptanoate 106-30-9 DTXSID1040112 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCC(=O)OCC Ethyl heptanoate 106-30-9|Ethyl heptanoate|Aether oenanthicus|BRN 1752311|Cognac oil|EINECS 203-382-9|Enanthic acid ethyl ester|Enanthylic ether|Ethyl enanthate|Ethyl heptanoic acid|Ethyl heptoate|Ethyl heptoic acid|Ethyl heptylate|Ethyl N-heptanoate|Ethyl N-heptanoic acid|Ethyl oenanthate|Ethyl oenanthylate|FEMA No. 2437|Grape oil|heptanoic acid ethyl ester|Heptanoic acid, ethyl ester|NSC 8891|Oenanthic ether|Oleum vitis viniferae|UNII-45R404Y5X8|Wine oil https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040112 https://doi.org/10.22427/NTP-DATA-DTXSID1040112
ARPathway2016 ARPathway2016_470 Ethyl heptanoate 106-30-9 DTXSID1040112 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCC(=O)OCC Ethyl heptanoate 106-30-9|Ethyl heptanoate|Aether oenanthicus|BRN 1752311|Cognac oil|EINECS 203-382-9|Enanthic acid ethyl ester|Enanthylic ether|Ethyl enanthate|Ethyl heptanoic acid|Ethyl heptoate|Ethyl heptoic acid|Ethyl heptylate|Ethyl N-heptanoate|Ethyl N-heptanoic acid|Ethyl oenanthate|Ethyl oenanthylate|FEMA No. 2437|Grape oil|heptanoic acid ethyl ester|Heptanoic acid, ethyl ester|NSC 8891|Oenanthic ether|Oleum vitis viniferae|UNII-45R404Y5X8|Wine oil https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040112 https://doi.org/10.22427/NTP-DATA-DTXSID1040112
ERPathway2016 ERPathway2016_355 Ethyl heptanoate 106-30-9 DTXSID1040112 ER Pathway Model, Antagonist AC50 29.8619731456347 uM CCCCCCC(=O)OCC Ethyl heptanoate 106-30-9|Ethyl heptanoate|Aether oenanthicus|BRN 1752311|Cognac oil|EINECS 203-382-9|Enanthic acid ethyl ester|Enanthylic ether|Ethyl enanthate|Ethyl heptanoic acid|Ethyl heptoate|Ethyl heptoic acid|Ethyl heptylate|Ethyl N-heptanoate|Ethyl N-heptanoic acid|Ethyl oenanthate|Ethyl oenanthylate|FEMA No. 2437|Grape oil|heptanoic acid ethyl ester|Heptanoic acid, ethyl ester|NSC 8891|Oenanthic ether|Oleum vitis viniferae|UNII-45R404Y5X8|Wine oil https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040112 https://doi.org/10.22427/NTP-DATA-DTXSID1040112
ERPathway2016 ERPathway2016_355 Ethyl heptanoate 106-30-9 DTXSID1040112 ER Pathway Model, Antagonist ACC 18.6323863511968 uM CCCCCCC(=O)OCC Ethyl heptanoate 106-30-9|Ethyl heptanoate|Aether oenanthicus|BRN 1752311|Cognac oil|EINECS 203-382-9|Enanthic acid ethyl ester|Enanthylic ether|Ethyl enanthate|Ethyl heptanoic acid|Ethyl heptoate|Ethyl heptoic acid|Ethyl heptylate|Ethyl N-heptanoate|Ethyl N-heptanoic acid|Ethyl oenanthate|Ethyl oenanthylate|FEMA No. 2437|Grape oil|heptanoic acid ethyl ester|Heptanoic acid, ethyl ester|NSC 8891|Oenanthic ether|Oleum vitis viniferae|UNII-45R404Y5X8|Wine oil https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040112 https://doi.org/10.22427/NTP-DATA-DTXSID1040112
ERPathway2016 ERPathway2016_355 Ethyl heptanoate 106-30-9 DTXSID1040112 ER Pathway Model, Agonist Model Score 0.0173 Unitless CCCCCCC(=O)OCC Ethyl heptanoate 106-30-9|Ethyl heptanoate|Aether oenanthicus|BRN 1752311|Cognac oil|EINECS 203-382-9|Enanthic acid ethyl ester|Enanthylic ether|Ethyl enanthate|Ethyl heptanoic acid|Ethyl heptoate|Ethyl heptoic acid|Ethyl heptylate|Ethyl N-heptanoate|Ethyl N-heptanoic acid|Ethyl oenanthate|Ethyl oenanthylate|FEMA No. 2437|Grape oil|heptanoic acid ethyl ester|Heptanoic acid, ethyl ester|NSC 8891|Oenanthic ether|Oleum vitis viniferae|UNII-45R404Y5X8|Wine oil https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040112 https://doi.org/10.22427/NTP-DATA-DTXSID1040112
ERPathway2016 ERPathway2016_355 Ethyl heptanoate 106-30-9 DTXSID1040112 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC(=O)OCC Ethyl heptanoate 106-30-9|Ethyl heptanoate|Aether oenanthicus|BRN 1752311|Cognac oil|EINECS 203-382-9|Enanthic acid ethyl ester|Enanthylic ether|Ethyl enanthate|Ethyl heptanoic acid|Ethyl heptoate|Ethyl heptoic acid|Ethyl heptylate|Ethyl N-heptanoate|Ethyl N-heptanoic acid|Ethyl oenanthate|Ethyl oenanthylate|FEMA No. 2437|Grape oil|heptanoic acid ethyl ester|Heptanoic acid, ethyl ester|NSC 8891|Oenanthic ether|Oleum vitis viniferae|UNII-45R404Y5X8|Wine oil https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040112 https://doi.org/10.22427/NTP-DATA-DTXSID1040112
ERPathway2016 ERPathway2016_355 Ethyl heptanoate 106-30-9 DTXSID1040112 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCC(=O)OCC Ethyl heptanoate 106-30-9|Ethyl heptanoate|Aether oenanthicus|BRN 1752311|Cognac oil|EINECS 203-382-9|Enanthic acid ethyl ester|Enanthylic ether|Ethyl enanthate|Ethyl heptanoic acid|Ethyl heptoate|Ethyl heptoic acid|Ethyl heptylate|Ethyl N-heptanoate|Ethyl N-heptanoic acid|Ethyl oenanthate|Ethyl oenanthylate|FEMA No. 2437|Grape oil|heptanoic acid ethyl ester|Heptanoic acid, ethyl ester|NSC 8891|Oenanthic ether|Oleum vitis viniferae|UNII-45R404Y5X8|Wine oil https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040112 https://doi.org/10.22427/NTP-DATA-DTXSID1040112
ERPathway2016 ERPathway2016_355 Ethyl heptanoate 106-30-9 DTXSID1040112 ER Pathway Model, Antagonist Call Active Unitless CCCCCCC(=O)OCC Ethyl heptanoate 106-30-9|Ethyl heptanoate|Aether oenanthicus|BRN 1752311|Cognac oil|EINECS 203-382-9|Enanthic acid ethyl ester|Enanthylic ether|Ethyl enanthate|Ethyl heptanoic acid|Ethyl heptoate|Ethyl heptoic acid|Ethyl heptylate|Ethyl N-heptanoate|Ethyl N-heptanoic acid|Ethyl oenanthate|Ethyl oenanthylate|FEMA No. 2437|Grape oil|heptanoic acid ethyl ester|Heptanoic acid, ethyl ester|NSC 8891|Oenanthic ether|Oleum vitis viniferae|UNII-45R404Y5X8|Wine oil https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040112 https://doi.org/10.22427/NTP-DATA-DTXSID1040112
ARPathway2016 ARPathway2016_723 Ethyl hexanoate 123-66-0 DTXSID3021980 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCC(=O)OCC Ethyl hexanoate 123-66-0|Ethyl hexanoate|Acetic acid, butyl-, ethyl ester|BRN 1701293|Caproic acid ethyl ester|Caproic acid ethylester|Capronic ether absolute|EINECS 204-640-3|Ethyl butyl acetate|Ethyl butyl acetate (dot)|Ethyl caproate|Ethyl capronate|Ethyl ester of hexanoic acid|Ethyl hexanoate (caproate)|Ethyl hexoate|Ethyl n-hexanoat|Ethyl N-hexanoate|ETHYLBUTYL ACETATE|Ethylhexanoat|FEMA 2439|FEMA No. 2439|Hexanoate d'ethyle|HEXANOATE, ETHYL|hexanoato de etilo|Hexanoic acid ethyl ester|Hexanoic acid, ethyl ester|Hexanoic acid, ethyl ester, mixt. with soybean oil epoxide|n-Caproic acid ethyl ester|NSC 8882|UNII-FLO6YR1SHT|8068-81-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021980 https://doi.org/10.22427/NTP-DATA-DTXSID3021980
ARPathway2016 ARPathway2016_723 Ethyl hexanoate 123-66-0 DTXSID3021980 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCC(=O)OCC Ethyl hexanoate 123-66-0|Ethyl hexanoate|Acetic acid, butyl-, ethyl ester|BRN 1701293|Caproic acid ethyl ester|Caproic acid ethylester|Capronic ether absolute|EINECS 204-640-3|Ethyl butyl acetate|Ethyl butyl acetate (dot)|Ethyl caproate|Ethyl capronate|Ethyl ester of hexanoic acid|Ethyl hexanoate (caproate)|Ethyl hexoate|Ethyl n-hexanoat|Ethyl N-hexanoate|ETHYLBUTYL ACETATE|Ethylhexanoat|FEMA 2439|FEMA No. 2439|Hexanoate d'ethyle|HEXANOATE, ETHYL|hexanoato de etilo|Hexanoic acid ethyl ester|Hexanoic acid, ethyl ester|Hexanoic acid, ethyl ester, mixt. with soybean oil epoxide|n-Caproic acid ethyl ester|NSC 8882|UNII-FLO6YR1SHT|8068-81-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021980 https://doi.org/10.22427/NTP-DATA-DTXSID3021980
ARPathway2016 ARPathway2016_723 Ethyl hexanoate 123-66-0 DTXSID3021980 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCC(=O)OCC Ethyl hexanoate 123-66-0|Ethyl hexanoate|Acetic acid, butyl-, ethyl ester|BRN 1701293|Caproic acid ethyl ester|Caproic acid ethylester|Capronic ether absolute|EINECS 204-640-3|Ethyl butyl acetate|Ethyl butyl acetate (dot)|Ethyl caproate|Ethyl capronate|Ethyl ester of hexanoic acid|Ethyl hexanoate (caproate)|Ethyl hexoate|Ethyl n-hexanoat|Ethyl N-hexanoate|ETHYLBUTYL ACETATE|Ethylhexanoat|FEMA 2439|FEMA No. 2439|Hexanoate d'ethyle|HEXANOATE, ETHYL|hexanoato de etilo|Hexanoic acid ethyl ester|Hexanoic acid, ethyl ester|Hexanoic acid, ethyl ester, mixt. with soybean oil epoxide|n-Caproic acid ethyl ester|NSC 8882|UNII-FLO6YR1SHT|8068-81-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021980 https://doi.org/10.22427/NTP-DATA-DTXSID3021980
ARPathway2016 ARPathway2016_723 Ethyl hexanoate 123-66-0 DTXSID3021980 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCC(=O)OCC Ethyl hexanoate 123-66-0|Ethyl hexanoate|Acetic acid, butyl-, ethyl ester|BRN 1701293|Caproic acid ethyl ester|Caproic acid ethylester|Capronic ether absolute|EINECS 204-640-3|Ethyl butyl acetate|Ethyl butyl acetate (dot)|Ethyl caproate|Ethyl capronate|Ethyl ester of hexanoic acid|Ethyl hexanoate (caproate)|Ethyl hexoate|Ethyl n-hexanoat|Ethyl N-hexanoate|ETHYLBUTYL ACETATE|Ethylhexanoat|FEMA 2439|FEMA No. 2439|Hexanoate d'ethyle|HEXANOATE, ETHYL|hexanoato de etilo|Hexanoic acid ethyl ester|Hexanoic acid, ethyl ester|Hexanoic acid, ethyl ester, mixt. with soybean oil epoxide|n-Caproic acid ethyl ester|NSC 8882|UNII-FLO6YR1SHT|8068-81-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021980 https://doi.org/10.22427/NTP-DATA-DTXSID3021980
ERPathway2016 ERPathway2016_1237 Ethyl hexanoate 123-66-0 DTXSID3021980 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCC(=O)OCC Ethyl hexanoate 123-66-0|Ethyl hexanoate|Acetic acid, butyl-, ethyl ester|BRN 1701293|Caproic acid ethyl ester|Caproic acid ethylester|Capronic ether absolute|EINECS 204-640-3|Ethyl butyl acetate|Ethyl butyl acetate (dot)|Ethyl caproate|Ethyl capronate|Ethyl ester of hexanoic acid|Ethyl hexanoate (caproate)|Ethyl hexoate|Ethyl n-hexanoat|Ethyl N-hexanoate|ETHYLBUTYL ACETATE|Ethylhexanoat|FEMA 2439|FEMA No. 2439|Hexanoate d'ethyle|HEXANOATE, ETHYL|hexanoato de etilo|Hexanoic acid ethyl ester|Hexanoic acid, ethyl ester|Hexanoic acid, ethyl ester, mixt. with soybean oil epoxide|n-Caproic acid ethyl ester|NSC 8882|UNII-FLO6YR1SHT|8068-81-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021980 https://doi.org/10.22427/NTP-DATA-DTXSID3021980
ERPathway2016 ERPathway2016_1237 Ethyl hexanoate 123-66-0 DTXSID3021980 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCC(=O)OCC Ethyl hexanoate 123-66-0|Ethyl hexanoate|Acetic acid, butyl-, ethyl ester|BRN 1701293|Caproic acid ethyl ester|Caproic acid ethylester|Capronic ether absolute|EINECS 204-640-3|Ethyl butyl acetate|Ethyl butyl acetate (dot)|Ethyl caproate|Ethyl capronate|Ethyl ester of hexanoic acid|Ethyl hexanoate (caproate)|Ethyl hexoate|Ethyl n-hexanoat|Ethyl N-hexanoate|ETHYLBUTYL ACETATE|Ethylhexanoat|FEMA 2439|FEMA No. 2439|Hexanoate d'ethyle|HEXANOATE, ETHYL|hexanoato de etilo|Hexanoic acid ethyl ester|Hexanoic acid, ethyl ester|Hexanoic acid, ethyl ester, mixt. with soybean oil epoxide|n-Caproic acid ethyl ester|NSC 8882|UNII-FLO6YR1SHT|8068-81-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021980 https://doi.org/10.22427/NTP-DATA-DTXSID3021980
ERPathway2016 ERPathway2016_1237 Ethyl hexanoate 123-66-0 DTXSID3021980 ER Pathway Model, Agonist Call Inactive Unitless CCCCCC(=O)OCC Ethyl hexanoate 123-66-0|Ethyl hexanoate|Acetic acid, butyl-, ethyl ester|BRN 1701293|Caproic acid ethyl ester|Caproic acid ethylester|Capronic ether absolute|EINECS 204-640-3|Ethyl butyl acetate|Ethyl butyl acetate (dot)|Ethyl caproate|Ethyl capronate|Ethyl ester of hexanoic acid|Ethyl hexanoate (caproate)|Ethyl hexoate|Ethyl n-hexanoat|Ethyl N-hexanoate|ETHYLBUTYL ACETATE|Ethylhexanoat|FEMA 2439|FEMA No. 2439|Hexanoate d'ethyle|HEXANOATE, ETHYL|hexanoato de etilo|Hexanoic acid ethyl ester|Hexanoic acid, ethyl ester|Hexanoic acid, ethyl ester, mixt. with soybean oil epoxide|n-Caproic acid ethyl ester|NSC 8882|UNII-FLO6YR1SHT|8068-81-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021980 https://doi.org/10.22427/NTP-DATA-DTXSID3021980
ERPathway2016 ERPathway2016_1237 Ethyl hexanoate 123-66-0 DTXSID3021980 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCC(=O)OCC Ethyl hexanoate 123-66-0|Ethyl hexanoate|Acetic acid, butyl-, ethyl ester|BRN 1701293|Caproic acid ethyl ester|Caproic acid ethylester|Capronic ether absolute|EINECS 204-640-3|Ethyl butyl acetate|Ethyl butyl acetate (dot)|Ethyl caproate|Ethyl capronate|Ethyl ester of hexanoic acid|Ethyl hexanoate (caproate)|Ethyl hexoate|Ethyl n-hexanoat|Ethyl N-hexanoate|ETHYLBUTYL ACETATE|Ethylhexanoat|FEMA 2439|FEMA No. 2439|Hexanoate d'ethyle|HEXANOATE, ETHYL|hexanoato de etilo|Hexanoic acid ethyl ester|Hexanoic acid, ethyl ester|Hexanoic acid, ethyl ester, mixt. with soybean oil epoxide|n-Caproic acid ethyl ester|NSC 8882|UNII-FLO6YR1SHT|8068-81-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021980 https://doi.org/10.22427/NTP-DATA-DTXSID3021980
ARPathway2016 ARPathway2016_1560 Ethyl methylphenylglycidate 77-83-8 DTXSID8020591 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1OC1(C)C1=CC=CC=C1 Ethyl methylphenylglycidate 77-83-8|Ethyl methylphenylglycidate|2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester|2,3-Epoxy-3-phenylbutyric acid, ethyl ester|3-Methyl-3-phenylglycidic acid ethyl ester|3-Methyl-3-phenylglycidic acid, ethyl ester|5-18-06-00385|alpha,beta-Epoxy-beta-methylhydrocinnamic acid, ethyl ester|BRN 0012299|Butanoic acid, 2,3-epoxy-3-phenyl-, ethyl ester|C-16 aldehyde|EINECS 201-061-8|Ethyl 2,3-epoxy-2-methyl-3-phenylpropionate|Ethyl 2,3-epoxy-3-methyl-3-phenylpropionate|Ethyl 3-methyl-3-phenylglycidate|Ethyl alpha,beta-epoxy-beta-methylhydrocinnamate|Ethyl alpha,beta-epoxy-beta-methylphenylpropionate|Ethyl ester of 2,3-epoxy-3-phenylbutanoic acid|Ethyl-3-methyl-3-phenylglycidate|Ethyl(methylphenyl)glycidate|FEMA No. 2444|Fraeseol|NSC 27905|Strawberry aldehyde|UNII-UD51D5KR4A|1322-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020591 https://doi.org/10.22427/NTP-DATA-DTXSID8020591
ARPathway2016 ARPathway2016_1560 Ethyl methylphenylglycidate 77-83-8 DTXSID8020591 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1OC1(C)C1=CC=CC=C1 Ethyl methylphenylglycidate 77-83-8|Ethyl methylphenylglycidate|2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester|2,3-Epoxy-3-phenylbutyric acid, ethyl ester|3-Methyl-3-phenylglycidic acid ethyl ester|3-Methyl-3-phenylglycidic acid, ethyl ester|5-18-06-00385|alpha,beta-Epoxy-beta-methylhydrocinnamic acid, ethyl ester|BRN 0012299|Butanoic acid, 2,3-epoxy-3-phenyl-, ethyl ester|C-16 aldehyde|EINECS 201-061-8|Ethyl 2,3-epoxy-2-methyl-3-phenylpropionate|Ethyl 2,3-epoxy-3-methyl-3-phenylpropionate|Ethyl 3-methyl-3-phenylglycidate|Ethyl alpha,beta-epoxy-beta-methylhydrocinnamate|Ethyl alpha,beta-epoxy-beta-methylphenylpropionate|Ethyl ester of 2,3-epoxy-3-phenylbutanoic acid|Ethyl-3-methyl-3-phenylglycidate|Ethyl(methylphenyl)glycidate|FEMA No. 2444|Fraeseol|NSC 27905|Strawberry aldehyde|UNII-UD51D5KR4A|1322-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020591 https://doi.org/10.22427/NTP-DATA-DTXSID8020591
ARPathway2016 ARPathway2016_1560 Ethyl methylphenylglycidate 77-83-8 DTXSID8020591 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1OC1(C)C1=CC=CC=C1 Ethyl methylphenylglycidate 77-83-8|Ethyl methylphenylglycidate|2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester|2,3-Epoxy-3-phenylbutyric acid, ethyl ester|3-Methyl-3-phenylglycidic acid ethyl ester|3-Methyl-3-phenylglycidic acid, ethyl ester|5-18-06-00385|alpha,beta-Epoxy-beta-methylhydrocinnamic acid, ethyl ester|BRN 0012299|Butanoic acid, 2,3-epoxy-3-phenyl-, ethyl ester|C-16 aldehyde|EINECS 201-061-8|Ethyl 2,3-epoxy-2-methyl-3-phenylpropionate|Ethyl 2,3-epoxy-3-methyl-3-phenylpropionate|Ethyl 3-methyl-3-phenylglycidate|Ethyl alpha,beta-epoxy-beta-methylhydrocinnamate|Ethyl alpha,beta-epoxy-beta-methylphenylpropionate|Ethyl ester of 2,3-epoxy-3-phenylbutanoic acid|Ethyl-3-methyl-3-phenylglycidate|Ethyl(methylphenyl)glycidate|FEMA No. 2444|Fraeseol|NSC 27905|Strawberry aldehyde|UNII-UD51D5KR4A|1322-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020591 https://doi.org/10.22427/NTP-DATA-DTXSID8020591
ARPathway2016 ARPathway2016_1560 Ethyl methylphenylglycidate 77-83-8 DTXSID8020591 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1OC1(C)C1=CC=CC=C1 Ethyl methylphenylglycidate 77-83-8|Ethyl methylphenylglycidate|2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester|2,3-Epoxy-3-phenylbutyric acid, ethyl ester|3-Methyl-3-phenylglycidic acid ethyl ester|3-Methyl-3-phenylglycidic acid, ethyl ester|5-18-06-00385|alpha,beta-Epoxy-beta-methylhydrocinnamic acid, ethyl ester|BRN 0012299|Butanoic acid, 2,3-epoxy-3-phenyl-, ethyl ester|C-16 aldehyde|EINECS 201-061-8|Ethyl 2,3-epoxy-2-methyl-3-phenylpropionate|Ethyl 2,3-epoxy-3-methyl-3-phenylpropionate|Ethyl 3-methyl-3-phenylglycidate|Ethyl alpha,beta-epoxy-beta-methylhydrocinnamate|Ethyl alpha,beta-epoxy-beta-methylphenylpropionate|Ethyl ester of 2,3-epoxy-3-phenylbutanoic acid|Ethyl-3-methyl-3-phenylglycidate|Ethyl(methylphenyl)glycidate|FEMA No. 2444|Fraeseol|NSC 27905|Strawberry aldehyde|UNII-UD51D5KR4A|1322-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020591 https://doi.org/10.22427/NTP-DATA-DTXSID8020591
ERPathway2016 ERPathway2016_40 Ethyl methylphenylglycidate 77-83-8 DTXSID8020591 ER Pathway Model, Agonist AC50 52.0268387177582 uM CCOC(=O)C1OC1(C)C1=CC=CC=C1 Ethyl methylphenylglycidate 77-83-8|Ethyl methylphenylglycidate|2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester|2,3-Epoxy-3-phenylbutyric acid, ethyl ester|3-Methyl-3-phenylglycidic acid ethyl ester|3-Methyl-3-phenylglycidic acid, ethyl ester|5-18-06-00385|alpha,beta-Epoxy-beta-methylhydrocinnamic acid, ethyl ester|BRN 0012299|Butanoic acid, 2,3-epoxy-3-phenyl-, ethyl ester|C-16 aldehyde|EINECS 201-061-8|Ethyl 2,3-epoxy-2-methyl-3-phenylpropionate|Ethyl 2,3-epoxy-3-methyl-3-phenylpropionate|Ethyl 3-methyl-3-phenylglycidate|Ethyl alpha,beta-epoxy-beta-methylhydrocinnamate|Ethyl alpha,beta-epoxy-beta-methylphenylpropionate|Ethyl ester of 2,3-epoxy-3-phenylbutanoic acid|Ethyl-3-methyl-3-phenylglycidate|Ethyl(methylphenyl)glycidate|FEMA No. 2444|Fraeseol|NSC 27905|Strawberry aldehyde|UNII-UD51D5KR4A|1322-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020591 https://doi.org/10.22427/NTP-DATA-DTXSID8020591
ERPathway2016 ERPathway2016_40 Ethyl methylphenylglycidate 77-83-8 DTXSID8020591 ER Pathway Model, Agonist ACC 45.158493294312 uM CCOC(=O)C1OC1(C)C1=CC=CC=C1 Ethyl methylphenylglycidate 77-83-8|Ethyl methylphenylglycidate|2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester|2,3-Epoxy-3-phenylbutyric acid, ethyl ester|3-Methyl-3-phenylglycidic acid ethyl ester|3-Methyl-3-phenylglycidic acid, ethyl ester|5-18-06-00385|alpha,beta-Epoxy-beta-methylhydrocinnamic acid, ethyl ester|BRN 0012299|Butanoic acid, 2,3-epoxy-3-phenyl-, ethyl ester|C-16 aldehyde|EINECS 201-061-8|Ethyl 2,3-epoxy-2-methyl-3-phenylpropionate|Ethyl 2,3-epoxy-3-methyl-3-phenylpropionate|Ethyl 3-methyl-3-phenylglycidate|Ethyl alpha,beta-epoxy-beta-methylhydrocinnamate|Ethyl alpha,beta-epoxy-beta-methylphenylpropionate|Ethyl ester of 2,3-epoxy-3-phenylbutanoic acid|Ethyl-3-methyl-3-phenylglycidate|Ethyl(methylphenyl)glycidate|FEMA No. 2444|Fraeseol|NSC 27905|Strawberry aldehyde|UNII-UD51D5KR4A|1322-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020591 https://doi.org/10.22427/NTP-DATA-DTXSID8020591
ERPathway2016 ERPathway2016_40 Ethyl methylphenylglycidate 77-83-8 DTXSID8020591 ER Pathway Model, Agonist Model Score 0.00327 Unitless CCOC(=O)C1OC1(C)C1=CC=CC=C1 Ethyl methylphenylglycidate 77-83-8|Ethyl methylphenylglycidate|2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester|2,3-Epoxy-3-phenylbutyric acid, ethyl ester|3-Methyl-3-phenylglycidic acid ethyl ester|3-Methyl-3-phenylglycidic acid, ethyl ester|5-18-06-00385|alpha,beta-Epoxy-beta-methylhydrocinnamic acid, ethyl ester|BRN 0012299|Butanoic acid, 2,3-epoxy-3-phenyl-, ethyl ester|C-16 aldehyde|EINECS 201-061-8|Ethyl 2,3-epoxy-2-methyl-3-phenylpropionate|Ethyl 2,3-epoxy-3-methyl-3-phenylpropionate|Ethyl 3-methyl-3-phenylglycidate|Ethyl alpha,beta-epoxy-beta-methylhydrocinnamate|Ethyl alpha,beta-epoxy-beta-methylphenylpropionate|Ethyl ester of 2,3-epoxy-3-phenylbutanoic acid|Ethyl-3-methyl-3-phenylglycidate|Ethyl(methylphenyl)glycidate|FEMA No. 2444|Fraeseol|NSC 27905|Strawberry aldehyde|UNII-UD51D5KR4A|1322-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020591 https://doi.org/10.22427/NTP-DATA-DTXSID8020591
ERPathway2016 ERPathway2016_40 Ethyl methylphenylglycidate 77-83-8 DTXSID8020591 ER Pathway Model, Antagonist Model Score 0.0102 Unitless CCOC(=O)C1OC1(C)C1=CC=CC=C1 Ethyl methylphenylglycidate 77-83-8|Ethyl methylphenylglycidate|2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester|2,3-Epoxy-3-phenylbutyric acid, ethyl ester|3-Methyl-3-phenylglycidic acid ethyl ester|3-Methyl-3-phenylglycidic acid, ethyl ester|5-18-06-00385|alpha,beta-Epoxy-beta-methylhydrocinnamic acid, ethyl ester|BRN 0012299|Butanoic acid, 2,3-epoxy-3-phenyl-, ethyl ester|C-16 aldehyde|EINECS 201-061-8|Ethyl 2,3-epoxy-2-methyl-3-phenylpropionate|Ethyl 2,3-epoxy-3-methyl-3-phenylpropionate|Ethyl 3-methyl-3-phenylglycidate|Ethyl alpha,beta-epoxy-beta-methylhydrocinnamate|Ethyl alpha,beta-epoxy-beta-methylphenylpropionate|Ethyl ester of 2,3-epoxy-3-phenylbutanoic acid|Ethyl-3-methyl-3-phenylglycidate|Ethyl(methylphenyl)glycidate|FEMA No. 2444|Fraeseol|NSC 27905|Strawberry aldehyde|UNII-UD51D5KR4A|1322-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020591 https://doi.org/10.22427/NTP-DATA-DTXSID8020591
ERPathway2016 ERPathway2016_40 Ethyl methylphenylglycidate 77-83-8 DTXSID8020591 ER Pathway Model, Agonist Call Active Unitless CCOC(=O)C1OC1(C)C1=CC=CC=C1 Ethyl methylphenylglycidate 77-83-8|Ethyl methylphenylglycidate|2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester|2,3-Epoxy-3-phenylbutyric acid, ethyl ester|3-Methyl-3-phenylglycidic acid ethyl ester|3-Methyl-3-phenylglycidic acid, ethyl ester|5-18-06-00385|alpha,beta-Epoxy-beta-methylhydrocinnamic acid, ethyl ester|BRN 0012299|Butanoic acid, 2,3-epoxy-3-phenyl-, ethyl ester|C-16 aldehyde|EINECS 201-061-8|Ethyl 2,3-epoxy-2-methyl-3-phenylpropionate|Ethyl 2,3-epoxy-3-methyl-3-phenylpropionate|Ethyl 3-methyl-3-phenylglycidate|Ethyl alpha,beta-epoxy-beta-methylhydrocinnamate|Ethyl alpha,beta-epoxy-beta-methylphenylpropionate|Ethyl ester of 2,3-epoxy-3-phenylbutanoic acid|Ethyl-3-methyl-3-phenylglycidate|Ethyl(methylphenyl)glycidate|FEMA No. 2444|Fraeseol|NSC 27905|Strawberry aldehyde|UNII-UD51D5KR4A|1322-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020591 https://doi.org/10.22427/NTP-DATA-DTXSID8020591
ERPathway2016 ERPathway2016_40 Ethyl methylphenylglycidate 77-83-8 DTXSID8020591 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1OC1(C)C1=CC=CC=C1 Ethyl methylphenylglycidate 77-83-8|Ethyl methylphenylglycidate|2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester|2,3-Epoxy-3-phenylbutyric acid, ethyl ester|3-Methyl-3-phenylglycidic acid ethyl ester|3-Methyl-3-phenylglycidic acid, ethyl ester|5-18-06-00385|alpha,beta-Epoxy-beta-methylhydrocinnamic acid, ethyl ester|BRN 0012299|Butanoic acid, 2,3-epoxy-3-phenyl-, ethyl ester|C-16 aldehyde|EINECS 201-061-8|Ethyl 2,3-epoxy-2-methyl-3-phenylpropionate|Ethyl 2,3-epoxy-3-methyl-3-phenylpropionate|Ethyl 3-methyl-3-phenylglycidate|Ethyl alpha,beta-epoxy-beta-methylhydrocinnamate|Ethyl alpha,beta-epoxy-beta-methylphenylpropionate|Ethyl ester of 2,3-epoxy-3-phenylbutanoic acid|Ethyl-3-methyl-3-phenylglycidate|Ethyl(methylphenyl)glycidate|FEMA No. 2444|Fraeseol|NSC 27905|Strawberry aldehyde|UNII-UD51D5KR4A|1322-04-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020591 https://doi.org/10.22427/NTP-DATA-DTXSID8020591
ARPathway2016 ARPathway2016_573 Ethyl oleate 111-62-6 DTXSID3047633 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCC=C/CCCCCCCC(=O)OCC Ethyl oleate 111-62-6|Ethyl oleate|(Z)-9-Octadecenoic acid ethyl ester|9-Octadecenoic acid (9Z)-, ethyl ester|9-Octadecenoic acid (Z)-, ethyl ester|9-Octadecenoic acid, ethyl ester, (Z)-|Crodamol EO|EINECS 203-889-5|Esterol 123|ethyl (9Z)-octadecenoate|Ethyl (Z)-9-octadecenoate|Ethyl 9-octadecenoate, (Z)-|Ethyl cis-9-octadecenoate|Ethyloleat|FEMA No. 2450|Nikkol EOO|Nofable EO 99|NSC 229428|Oleate d'ethyle|OLEATE, ETHYL|oleato de etilo|oleic acid ethyl ester|Oleic acid, ethyl ester|UNII-Z2Z439864Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047633
ARPathway2016 ARPathway2016_573 Ethyl oleate 111-62-6 DTXSID3047633 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCC=C/CCCCCCCC(=O)OCC Ethyl oleate 111-62-6|Ethyl oleate|(Z)-9-Octadecenoic acid ethyl ester|9-Octadecenoic acid (9Z)-, ethyl ester|9-Octadecenoic acid (Z)-, ethyl ester|9-Octadecenoic acid, ethyl ester, (Z)-|Crodamol EO|EINECS 203-889-5|Esterol 123|ethyl (9Z)-octadecenoate|Ethyl (Z)-9-octadecenoate|Ethyl 9-octadecenoate, (Z)-|Ethyl cis-9-octadecenoate|Ethyloleat|FEMA No. 2450|Nikkol EOO|Nofable EO 99|NSC 229428|Oleate d'ethyle|OLEATE, ETHYL|oleato de etilo|oleic acid ethyl ester|Oleic acid, ethyl ester|UNII-Z2Z439864Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047633
ARPathway2016 ARPathway2016_573 Ethyl oleate 111-62-6 DTXSID3047633 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCC=C/CCCCCCCC(=O)OCC Ethyl oleate 111-62-6|Ethyl oleate|(Z)-9-Octadecenoic acid ethyl ester|9-Octadecenoic acid (9Z)-, ethyl ester|9-Octadecenoic acid (Z)-, ethyl ester|9-Octadecenoic acid, ethyl ester, (Z)-|Crodamol EO|EINECS 203-889-5|Esterol 123|ethyl (9Z)-octadecenoate|Ethyl (Z)-9-octadecenoate|Ethyl 9-octadecenoate, (Z)-|Ethyl cis-9-octadecenoate|Ethyloleat|FEMA No. 2450|Nikkol EOO|Nofable EO 99|NSC 229428|Oleate d'ethyle|OLEATE, ETHYL|oleato de etilo|oleic acid ethyl ester|Oleic acid, ethyl ester|UNII-Z2Z439864Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047633
ARPathway2016 ARPathway2016_573 Ethyl oleate 111-62-6 DTXSID3047633 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC=C/CCCCCCCC(=O)OCC Ethyl oleate 111-62-6|Ethyl oleate|(Z)-9-Octadecenoic acid ethyl ester|9-Octadecenoic acid (9Z)-, ethyl ester|9-Octadecenoic acid (Z)-, ethyl ester|9-Octadecenoic acid, ethyl ester, (Z)-|Crodamol EO|EINECS 203-889-5|Esterol 123|ethyl (9Z)-octadecenoate|Ethyl (Z)-9-octadecenoate|Ethyl 9-octadecenoate, (Z)-|Ethyl cis-9-octadecenoate|Ethyloleat|FEMA No. 2450|Nikkol EOO|Nofable EO 99|NSC 229428|Oleate d'ethyle|OLEATE, ETHYL|oleato de etilo|oleic acid ethyl ester|Oleic acid, ethyl ester|UNII-Z2Z439864Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047633
ERPathway2016 ERPathway2016_1154 Ethyl oleate 111-62-6 DTXSID3047633 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCC=C/CCCCCCCC(=O)OCC Ethyl oleate 111-62-6|Ethyl oleate|(Z)-9-Octadecenoic acid ethyl ester|9-Octadecenoic acid (9Z)-, ethyl ester|9-Octadecenoic acid (Z)-, ethyl ester|9-Octadecenoic acid, ethyl ester, (Z)-|Crodamol EO|EINECS 203-889-5|Esterol 123|ethyl (9Z)-octadecenoate|Ethyl (Z)-9-octadecenoate|Ethyl 9-octadecenoate, (Z)-|Ethyl cis-9-octadecenoate|Ethyloleat|FEMA No. 2450|Nikkol EOO|Nofable EO 99|NSC 229428|Oleate d'ethyle|OLEATE, ETHYL|oleato de etilo|oleic acid ethyl ester|Oleic acid, ethyl ester|UNII-Z2Z439864Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047633
ERPathway2016 ERPathway2016_1154 Ethyl oleate 111-62-6 DTXSID3047633 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCC=C/CCCCCCCC(=O)OCC Ethyl oleate 111-62-6|Ethyl oleate|(Z)-9-Octadecenoic acid ethyl ester|9-Octadecenoic acid (9Z)-, ethyl ester|9-Octadecenoic acid (Z)-, ethyl ester|9-Octadecenoic acid, ethyl ester, (Z)-|Crodamol EO|EINECS 203-889-5|Esterol 123|ethyl (9Z)-octadecenoate|Ethyl (Z)-9-octadecenoate|Ethyl 9-octadecenoate, (Z)-|Ethyl cis-9-octadecenoate|Ethyloleat|FEMA No. 2450|Nikkol EOO|Nofable EO 99|NSC 229428|Oleate d'ethyle|OLEATE, ETHYL|oleato de etilo|oleic acid ethyl ester|Oleic acid, ethyl ester|UNII-Z2Z439864Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047633
ERPathway2016 ERPathway2016_1154 Ethyl oleate 111-62-6 DTXSID3047633 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCC=C/CCCCCCCC(=O)OCC Ethyl oleate 111-62-6|Ethyl oleate|(Z)-9-Octadecenoic acid ethyl ester|9-Octadecenoic acid (9Z)-, ethyl ester|9-Octadecenoic acid (Z)-, ethyl ester|9-Octadecenoic acid, ethyl ester, (Z)-|Crodamol EO|EINECS 203-889-5|Esterol 123|ethyl (9Z)-octadecenoate|Ethyl (Z)-9-octadecenoate|Ethyl 9-octadecenoate, (Z)-|Ethyl cis-9-octadecenoate|Ethyloleat|FEMA No. 2450|Nikkol EOO|Nofable EO 99|NSC 229428|Oleate d'ethyle|OLEATE, ETHYL|oleato de etilo|oleic acid ethyl ester|Oleic acid, ethyl ester|UNII-Z2Z439864Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047633
ERPathway2016 ERPathway2016_1154 Ethyl oleate 111-62-6 DTXSID3047633 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC=C/CCCCCCCC(=O)OCC Ethyl oleate 111-62-6|Ethyl oleate|(Z)-9-Octadecenoic acid ethyl ester|9-Octadecenoic acid (9Z)-, ethyl ester|9-Octadecenoic acid (Z)-, ethyl ester|9-Octadecenoic acid, ethyl ester, (Z)-|Crodamol EO|EINECS 203-889-5|Esterol 123|ethyl (9Z)-octadecenoate|Ethyl (Z)-9-octadecenoate|Ethyl 9-octadecenoate, (Z)-|Ethyl cis-9-octadecenoate|Ethyloleat|FEMA No. 2450|Nikkol EOO|Nofable EO 99|NSC 229428|Oleate d'ethyle|OLEATE, ETHYL|oleato de etilo|oleic acid ethyl ester|Oleic acid, ethyl ester|UNII-Z2Z439864Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047633
ARPathway2016 ARPathway2016_700 Ethyl orthoformate 122-51-0 DTXSID8041957 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(OCC)OCC Ethyl orthoformate 122-51-0|Ethyl orthoformate|1,1',1'-(Methylidynetris(oxy))tris(ethane)|1,1',1''-[Methylidynetris(oxy)]tris[ethane]|1,1',1''-[Methylidynetris(oxy)trisethane|4-02-00-00025|BRN 0605384|EINECS 204-550-4|Ethane, 1,1',1''-[methylidynetris(oxy)]tris-|Ethane, 1,1',1''-[methylidynetris(oxy)tris-|ETHANE, 1,1',1"[METHYLIDYNETRIS(OXY)]TRIS-|Ethyl formate(ortho)|Ethylester kyseliny orthomravenci|METHANE, TRIETHOXY-|NSC 5289|o-Formic acid, triethyl ester|ORTHOAMEISENSAEURE-TRIAETHYLESTER|Orthoformiate de triethyle|Orthoformic acid ethyl ester|Orthoformic acid triethyl ester|Orthoformic acid, ethyl ester|Orthoformic acid, triethyl ester|Orthomravencan ethylnaty|ortoformiato de trietilo|Triethoxymethane|Triethyl o-formate|Triethyl orthoformate|Triethylester kyseliny orthomravenci|Triethylorthoformiat|UN 2524|UNII-355LRR361Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041957
ARPathway2016 ARPathway2016_700 Ethyl orthoformate 122-51-0 DTXSID8041957 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(OCC)OCC Ethyl orthoformate 122-51-0|Ethyl orthoformate|1,1',1'-(Methylidynetris(oxy))tris(ethane)|1,1',1''-[Methylidynetris(oxy)]tris[ethane]|1,1',1''-[Methylidynetris(oxy)trisethane|4-02-00-00025|BRN 0605384|EINECS 204-550-4|Ethane, 1,1',1''-[methylidynetris(oxy)]tris-|Ethane, 1,1',1''-[methylidynetris(oxy)tris-|ETHANE, 1,1',1"[METHYLIDYNETRIS(OXY)]TRIS-|Ethyl formate(ortho)|Ethylester kyseliny orthomravenci|METHANE, TRIETHOXY-|NSC 5289|o-Formic acid, triethyl ester|ORTHOAMEISENSAEURE-TRIAETHYLESTER|Orthoformiate de triethyle|Orthoformic acid ethyl ester|Orthoformic acid triethyl ester|Orthoformic acid, ethyl ester|Orthoformic acid, triethyl ester|Orthomravencan ethylnaty|ortoformiato de trietilo|Triethoxymethane|Triethyl o-formate|Triethyl orthoformate|Triethylester kyseliny orthomravenci|Triethylorthoformiat|UN 2524|UNII-355LRR361Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041957
ARPathway2016 ARPathway2016_700 Ethyl orthoformate 122-51-0 DTXSID8041957 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(OCC)OCC Ethyl orthoformate 122-51-0|Ethyl orthoformate|1,1',1'-(Methylidynetris(oxy))tris(ethane)|1,1',1''-[Methylidynetris(oxy)]tris[ethane]|1,1',1''-[Methylidynetris(oxy)trisethane|4-02-00-00025|BRN 0605384|EINECS 204-550-4|Ethane, 1,1',1''-[methylidynetris(oxy)]tris-|Ethane, 1,1',1''-[methylidynetris(oxy)tris-|ETHANE, 1,1',1"[METHYLIDYNETRIS(OXY)]TRIS-|Ethyl formate(ortho)|Ethylester kyseliny orthomravenci|METHANE, TRIETHOXY-|NSC 5289|o-Formic acid, triethyl ester|ORTHOAMEISENSAEURE-TRIAETHYLESTER|Orthoformiate de triethyle|Orthoformic acid ethyl ester|Orthoformic acid triethyl ester|Orthoformic acid, ethyl ester|Orthoformic acid, triethyl ester|Orthomravencan ethylnaty|ortoformiato de trietilo|Triethoxymethane|Triethyl o-formate|Triethyl orthoformate|Triethylester kyseliny orthomravenci|Triethylorthoformiat|UN 2524|UNII-355LRR361Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041957
ARPathway2016 ARPathway2016_700 Ethyl orthoformate 122-51-0 DTXSID8041957 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(OCC)OCC Ethyl orthoformate 122-51-0|Ethyl orthoformate|1,1',1'-(Methylidynetris(oxy))tris(ethane)|1,1',1''-[Methylidynetris(oxy)]tris[ethane]|1,1',1''-[Methylidynetris(oxy)trisethane|4-02-00-00025|BRN 0605384|EINECS 204-550-4|Ethane, 1,1',1''-[methylidynetris(oxy)]tris-|Ethane, 1,1',1''-[methylidynetris(oxy)tris-|ETHANE, 1,1',1"[METHYLIDYNETRIS(OXY)]TRIS-|Ethyl formate(ortho)|Ethylester kyseliny orthomravenci|METHANE, TRIETHOXY-|NSC 5289|o-Formic acid, triethyl ester|ORTHOAMEISENSAEURE-TRIAETHYLESTER|Orthoformiate de triethyle|Orthoformic acid ethyl ester|Orthoformic acid triethyl ester|Orthoformic acid, ethyl ester|Orthoformic acid, triethyl ester|Orthomravencan ethylnaty|ortoformiato de trietilo|Triethoxymethane|Triethyl o-formate|Triethyl orthoformate|Triethylester kyseliny orthomravenci|Triethylorthoformiat|UN 2524|UNII-355LRR361Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041957
ERPathway2016 ERPathway2016_1224 Ethyl orthoformate 122-51-0 DTXSID8041957 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(OCC)OCC Ethyl orthoformate 122-51-0|Ethyl orthoformate|1,1',1'-(Methylidynetris(oxy))tris(ethane)|1,1',1''-[Methylidynetris(oxy)]tris[ethane]|1,1',1''-[Methylidynetris(oxy)trisethane|4-02-00-00025|BRN 0605384|EINECS 204-550-4|Ethane, 1,1',1''-[methylidynetris(oxy)]tris-|Ethane, 1,1',1''-[methylidynetris(oxy)tris-|ETHANE, 1,1',1"[METHYLIDYNETRIS(OXY)]TRIS-|Ethyl formate(ortho)|Ethylester kyseliny orthomravenci|METHANE, TRIETHOXY-|NSC 5289|o-Formic acid, triethyl ester|ORTHOAMEISENSAEURE-TRIAETHYLESTER|Orthoformiate de triethyle|Orthoformic acid ethyl ester|Orthoformic acid triethyl ester|Orthoformic acid, ethyl ester|Orthoformic acid, triethyl ester|Orthomravencan ethylnaty|ortoformiato de trietilo|Triethoxymethane|Triethyl o-formate|Triethyl orthoformate|Triethylester kyseliny orthomravenci|Triethylorthoformiat|UN 2524|UNII-355LRR361Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041957
ERPathway2016 ERPathway2016_1224 Ethyl orthoformate 122-51-0 DTXSID8041957 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(OCC)OCC Ethyl orthoformate 122-51-0|Ethyl orthoformate|1,1',1'-(Methylidynetris(oxy))tris(ethane)|1,1',1''-[Methylidynetris(oxy)]tris[ethane]|1,1',1''-[Methylidynetris(oxy)trisethane|4-02-00-00025|BRN 0605384|EINECS 204-550-4|Ethane, 1,1',1''-[methylidynetris(oxy)]tris-|Ethane, 1,1',1''-[methylidynetris(oxy)tris-|ETHANE, 1,1',1"[METHYLIDYNETRIS(OXY)]TRIS-|Ethyl formate(ortho)|Ethylester kyseliny orthomravenci|METHANE, TRIETHOXY-|NSC 5289|o-Formic acid, triethyl ester|ORTHOAMEISENSAEURE-TRIAETHYLESTER|Orthoformiate de triethyle|Orthoformic acid ethyl ester|Orthoformic acid triethyl ester|Orthoformic acid, ethyl ester|Orthoformic acid, triethyl ester|Orthomravencan ethylnaty|ortoformiato de trietilo|Triethoxymethane|Triethyl o-formate|Triethyl orthoformate|Triethylester kyseliny orthomravenci|Triethylorthoformiat|UN 2524|UNII-355LRR361Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041957
ERPathway2016 ERPathway2016_1224 Ethyl orthoformate 122-51-0 DTXSID8041957 ER Pathway Model, Agonist Call Inactive Unitless CCOC(OCC)OCC Ethyl orthoformate 122-51-0|Ethyl orthoformate|1,1',1'-(Methylidynetris(oxy))tris(ethane)|1,1',1''-[Methylidynetris(oxy)]tris[ethane]|1,1',1''-[Methylidynetris(oxy)trisethane|4-02-00-00025|BRN 0605384|EINECS 204-550-4|Ethane, 1,1',1''-[methylidynetris(oxy)]tris-|Ethane, 1,1',1''-[methylidynetris(oxy)tris-|ETHANE, 1,1',1"[METHYLIDYNETRIS(OXY)]TRIS-|Ethyl formate(ortho)|Ethylester kyseliny orthomravenci|METHANE, TRIETHOXY-|NSC 5289|o-Formic acid, triethyl ester|ORTHOAMEISENSAEURE-TRIAETHYLESTER|Orthoformiate de triethyle|Orthoformic acid ethyl ester|Orthoformic acid triethyl ester|Orthoformic acid, ethyl ester|Orthoformic acid, triethyl ester|Orthomravencan ethylnaty|ortoformiato de trietilo|Triethoxymethane|Triethyl o-formate|Triethyl orthoformate|Triethylester kyseliny orthomravenci|Triethylorthoformiat|UN 2524|UNII-355LRR361Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041957
ERPathway2016 ERPathway2016_1224 Ethyl orthoformate 122-51-0 DTXSID8041957 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(OCC)OCC Ethyl orthoformate 122-51-0|Ethyl orthoformate|1,1',1'-(Methylidynetris(oxy))tris(ethane)|1,1',1''-[Methylidynetris(oxy)]tris[ethane]|1,1',1''-[Methylidynetris(oxy)trisethane|4-02-00-00025|BRN 0605384|EINECS 204-550-4|Ethane, 1,1',1''-[methylidynetris(oxy)]tris-|Ethane, 1,1',1''-[methylidynetris(oxy)tris-|ETHANE, 1,1',1"[METHYLIDYNETRIS(OXY)]TRIS-|Ethyl formate(ortho)|Ethylester kyseliny orthomravenci|METHANE, TRIETHOXY-|NSC 5289|o-Formic acid, triethyl ester|ORTHOAMEISENSAEURE-TRIAETHYLESTER|Orthoformiate de triethyle|Orthoformic acid ethyl ester|Orthoformic acid triethyl ester|Orthoformic acid, ethyl ester|Orthoformic acid, triethyl ester|Orthomravencan ethylnaty|ortoformiato de trietilo|Triethoxymethane|Triethyl o-formate|Triethyl orthoformate|Triethylester kyseliny orthomravenci|Triethylorthoformiat|UN 2524|UNII-355LRR361Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041957
ARPathway2016 ARPathway2016_455 Ethyl propionate 105-37-3 DTXSID1040110 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)CC Ethyl propionate 105-37-3|Ethyl propionate|4-02-00-00705|BRN 0506287|EINECS 203-291-4|Ethyl ester of propanoic acid|Ethyl n-propionate|Ethyl propanoate|Ethylester kyseliny propionove|Ethylpropionat|Ethylpropionate|FEMA 2456|FEMA No. 2456|NSC 8848|PROPANOATE, ETHYL|Propanoic acid, Ethyl ester|Propionate d'ethyle|propionato de etilo|propionic acid ethyl ester|Propionic acid, ethyl ester|Propionic ester|Propionic ether|PROPIONSAEURE-AETHYLESTER|UN 1195|UNII-AT9K8FY49U https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040110 https://doi.org/10.22427/NTP-DATA-DTXSID1040110
ARPathway2016 ARPathway2016_455 Ethyl propionate 105-37-3 DTXSID1040110 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)CC Ethyl propionate 105-37-3|Ethyl propionate|4-02-00-00705|BRN 0506287|EINECS 203-291-4|Ethyl ester of propanoic acid|Ethyl n-propionate|Ethyl propanoate|Ethylester kyseliny propionove|Ethylpropionat|Ethylpropionate|FEMA 2456|FEMA No. 2456|NSC 8848|PROPANOATE, ETHYL|Propanoic acid, Ethyl ester|Propionate d'ethyle|propionato de etilo|propionic acid ethyl ester|Propionic acid, ethyl ester|Propionic ester|Propionic ether|PROPIONSAEURE-AETHYLESTER|UN 1195|UNII-AT9K8FY49U https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040110 https://doi.org/10.22427/NTP-DATA-DTXSID1040110
ARPathway2016 ARPathway2016_455 Ethyl propionate 105-37-3 DTXSID1040110 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)CC Ethyl propionate 105-37-3|Ethyl propionate|4-02-00-00705|BRN 0506287|EINECS 203-291-4|Ethyl ester of propanoic acid|Ethyl n-propionate|Ethyl propanoate|Ethylester kyseliny propionove|Ethylpropionat|Ethylpropionate|FEMA 2456|FEMA No. 2456|NSC 8848|PROPANOATE, ETHYL|Propanoic acid, Ethyl ester|Propionate d'ethyle|propionato de etilo|propionic acid ethyl ester|Propionic acid, ethyl ester|Propionic ester|Propionic ether|PROPIONSAEURE-AETHYLESTER|UN 1195|UNII-AT9K8FY49U https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040110 https://doi.org/10.22427/NTP-DATA-DTXSID1040110
ARPathway2016 ARPathway2016_455 Ethyl propionate 105-37-3 DTXSID1040110 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)CC Ethyl propionate 105-37-3|Ethyl propionate|4-02-00-00705|BRN 0506287|EINECS 203-291-4|Ethyl ester of propanoic acid|Ethyl n-propionate|Ethyl propanoate|Ethylester kyseliny propionove|Ethylpropionat|Ethylpropionate|FEMA 2456|FEMA No. 2456|NSC 8848|PROPANOATE, ETHYL|Propanoic acid, Ethyl ester|Propionate d'ethyle|propionato de etilo|propionic acid ethyl ester|Propionic acid, ethyl ester|Propionic ester|Propionic ether|PROPIONSAEURE-AETHYLESTER|UN 1195|UNII-AT9K8FY49U https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040110 https://doi.org/10.22427/NTP-DATA-DTXSID1040110
ERPathway2016 ERPathway2016_1082 Ethyl propionate 105-37-3 DTXSID1040110 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)CC Ethyl propionate 105-37-3|Ethyl propionate|4-02-00-00705|BRN 0506287|EINECS 203-291-4|Ethyl ester of propanoic acid|Ethyl n-propionate|Ethyl propanoate|Ethylester kyseliny propionove|Ethylpropionat|Ethylpropionate|FEMA 2456|FEMA No. 2456|NSC 8848|PROPANOATE, ETHYL|Propanoic acid, Ethyl ester|Propionate d'ethyle|propionato de etilo|propionic acid ethyl ester|Propionic acid, ethyl ester|Propionic ester|Propionic ether|PROPIONSAEURE-AETHYLESTER|UN 1195|UNII-AT9K8FY49U https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040110 https://doi.org/10.22427/NTP-DATA-DTXSID1040110
ERPathway2016 ERPathway2016_1082 Ethyl propionate 105-37-3 DTXSID1040110 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)CC Ethyl propionate 105-37-3|Ethyl propionate|4-02-00-00705|BRN 0506287|EINECS 203-291-4|Ethyl ester of propanoic acid|Ethyl n-propionate|Ethyl propanoate|Ethylester kyseliny propionove|Ethylpropionat|Ethylpropionate|FEMA 2456|FEMA No. 2456|NSC 8848|PROPANOATE, ETHYL|Propanoic acid, Ethyl ester|Propionate d'ethyle|propionato de etilo|propionic acid ethyl ester|Propionic acid, ethyl ester|Propionic ester|Propionic ether|PROPIONSAEURE-AETHYLESTER|UN 1195|UNII-AT9K8FY49U https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040110 https://doi.org/10.22427/NTP-DATA-DTXSID1040110
ERPathway2016 ERPathway2016_1082 Ethyl propionate 105-37-3 DTXSID1040110 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)CC Ethyl propionate 105-37-3|Ethyl propionate|4-02-00-00705|BRN 0506287|EINECS 203-291-4|Ethyl ester of propanoic acid|Ethyl n-propionate|Ethyl propanoate|Ethylester kyseliny propionove|Ethylpropionat|Ethylpropionate|FEMA 2456|FEMA No. 2456|NSC 8848|PROPANOATE, ETHYL|Propanoic acid, Ethyl ester|Propionate d'ethyle|propionato de etilo|propionic acid ethyl ester|Propionic acid, ethyl ester|Propionic ester|Propionic ether|PROPIONSAEURE-AETHYLESTER|UN 1195|UNII-AT9K8FY49U https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040110 https://doi.org/10.22427/NTP-DATA-DTXSID1040110
ERPathway2016 ERPathway2016_1082 Ethyl propionate 105-37-3 DTXSID1040110 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)CC Ethyl propionate 105-37-3|Ethyl propionate|4-02-00-00705|BRN 0506287|EINECS 203-291-4|Ethyl ester of propanoic acid|Ethyl n-propionate|Ethyl propanoate|Ethylester kyseliny propionove|Ethylpropionat|Ethylpropionate|FEMA 2456|FEMA No. 2456|NSC 8848|PROPANOATE, ETHYL|Propanoic acid, Ethyl ester|Propionate d'ethyle|propionato de etilo|propionic acid ethyl ester|Propionic acid, ethyl ester|Propionic ester|Propionic ether|PROPIONSAEURE-AETHYLESTER|UN 1195|UNII-AT9K8FY49U https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040110 https://doi.org/10.22427/NTP-DATA-DTXSID1040110
ARPathway2016 ARPathway2016_1442 Ethyl sulfate (Et2SO4) 64-67-5 DTXSID1024045 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOS(=O)(=O)OCC Ethyl sulfate (Et2SO4) 64-67-5|Ethyl sulfate (Et2SO4)|DES (VAN)|DIAETHYLSULFAT|Diethyl sulfate|diethyl sulphate|Diethyl tetraoxosulfate|Diethylester kyseliny sirove|Diethylsulfat|EINECS 200-589-6|NSC 56380|Sulfate de diethyle|sulfato de dietilo|Sulfuric acid diethyl ester|Sulfuric acid, diethyl ester|UN 1594|UNII-K0FO4VFA7I|182115-04-4|98503-29-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024045
ARPathway2016 ARPathway2016_1442 Ethyl sulfate (Et2SO4) 64-67-5 DTXSID1024045 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOS(=O)(=O)OCC Ethyl sulfate (Et2SO4) 64-67-5|Ethyl sulfate (Et2SO4)|DES (VAN)|DIAETHYLSULFAT|Diethyl sulfate|diethyl sulphate|Diethyl tetraoxosulfate|Diethylester kyseliny sirove|Diethylsulfat|EINECS 200-589-6|NSC 56380|Sulfate de diethyle|sulfato de dietilo|Sulfuric acid diethyl ester|Sulfuric acid, diethyl ester|UN 1594|UNII-K0FO4VFA7I|182115-04-4|98503-29-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024045
ARPathway2016 ARPathway2016_1442 Ethyl sulfate (Et2SO4) 64-67-5 DTXSID1024045 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOS(=O)(=O)OCC Ethyl sulfate (Et2SO4) 64-67-5|Ethyl sulfate (Et2SO4)|DES (VAN)|DIAETHYLSULFAT|Diethyl sulfate|diethyl sulphate|Diethyl tetraoxosulfate|Diethylester kyseliny sirove|Diethylsulfat|EINECS 200-589-6|NSC 56380|Sulfate de diethyle|sulfato de dietilo|Sulfuric acid diethyl ester|Sulfuric acid, diethyl ester|UN 1594|UNII-K0FO4VFA7I|182115-04-4|98503-29-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024045
ARPathway2016 ARPathway2016_1442 Ethyl sulfate (Et2SO4) 64-67-5 DTXSID1024045 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOS(=O)(=O)OCC Ethyl sulfate (Et2SO4) 64-67-5|Ethyl sulfate (Et2SO4)|DES (VAN)|DIAETHYLSULFAT|Diethyl sulfate|diethyl sulphate|Diethyl tetraoxosulfate|Diethylester kyseliny sirove|Diethylsulfat|EINECS 200-589-6|NSC 56380|Sulfate de diethyle|sulfato de dietilo|Sulfuric acid diethyl ester|Sulfuric acid, diethyl ester|UN 1594|UNII-K0FO4VFA7I|182115-04-4|98503-29-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024045
ERPathway2016 ERPathway2016_1596 Ethyl sulfate (Et2SO4) 64-67-5 DTXSID1024045 ER Pathway Model, Agonist Model Score 0 Unitless CCOS(=O)(=O)OCC Ethyl sulfate (Et2SO4) 64-67-5|Ethyl sulfate (Et2SO4)|DES (VAN)|DIAETHYLSULFAT|Diethyl sulfate|diethyl sulphate|Diethyl tetraoxosulfate|Diethylester kyseliny sirove|Diethylsulfat|EINECS 200-589-6|NSC 56380|Sulfate de diethyle|sulfato de dietilo|Sulfuric acid diethyl ester|Sulfuric acid, diethyl ester|UN 1594|UNII-K0FO4VFA7I|182115-04-4|98503-29-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024045
ERPathway2016 ERPathway2016_1596 Ethyl sulfate (Et2SO4) 64-67-5 DTXSID1024045 ER Pathway Model, Antagonist Model Score 0 Unitless CCOS(=O)(=O)OCC Ethyl sulfate (Et2SO4) 64-67-5|Ethyl sulfate (Et2SO4)|DES (VAN)|DIAETHYLSULFAT|Diethyl sulfate|diethyl sulphate|Diethyl tetraoxosulfate|Diethylester kyseliny sirove|Diethylsulfat|EINECS 200-589-6|NSC 56380|Sulfate de diethyle|sulfato de dietilo|Sulfuric acid diethyl ester|Sulfuric acid, diethyl ester|UN 1594|UNII-K0FO4VFA7I|182115-04-4|98503-29-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024045
ERPathway2016 ERPathway2016_1596 Ethyl sulfate (Et2SO4) 64-67-5 DTXSID1024045 ER Pathway Model, Agonist Call Inactive Unitless CCOS(=O)(=O)OCC Ethyl sulfate (Et2SO4) 64-67-5|Ethyl sulfate (Et2SO4)|DES (VAN)|DIAETHYLSULFAT|Diethyl sulfate|diethyl sulphate|Diethyl tetraoxosulfate|Diethylester kyseliny sirove|Diethylsulfat|EINECS 200-589-6|NSC 56380|Sulfate de diethyle|sulfato de dietilo|Sulfuric acid diethyl ester|Sulfuric acid, diethyl ester|UN 1594|UNII-K0FO4VFA7I|182115-04-4|98503-29-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024045
ERPathway2016 ERPathway2016_1596 Ethyl sulfate (Et2SO4) 64-67-5 DTXSID1024045 ER Pathway Model, Antagonist Call Inactive Unitless CCOS(=O)(=O)OCC Ethyl sulfate (Et2SO4) 64-67-5|Ethyl sulfate (Et2SO4)|DES (VAN)|DIAETHYLSULFAT|Diethyl sulfate|diethyl sulphate|Diethyl tetraoxosulfate|Diethylester kyseliny sirove|Diethylsulfat|EINECS 200-589-6|NSC 56380|Sulfate de diethyle|sulfato de dietilo|Sulfuric acid diethyl ester|Sulfuric acid, diethyl ester|UN 1594|UNII-K0FO4VFA7I|182115-04-4|98503-29-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024045
ARPathway2016 ARPathway2016_1494 Ethyl undec-10-enoate 692-86-4 DTXSID4044828 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)CCCCCCCCC=C Ethyl undec-10-enoate 692-86-4|Ethyl undec-10-enoate|10-Undecenoic acid, ethyl ester|BRN 1769949|EINECS 211-734-8|Ethyl 10-hendecenoate|Ethyl 10-undecylenate|Ethyl undecenoate|Ethyl undecylenate|FEMA No. 2461|UNII-7P1S77T8BF|36118-46-4|62453-48-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044828
ARPathway2016 ARPathway2016_1494 Ethyl undec-10-enoate 692-86-4 DTXSID4044828 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)CCCCCCCCC=C Ethyl undec-10-enoate 692-86-4|Ethyl undec-10-enoate|10-Undecenoic acid, ethyl ester|BRN 1769949|EINECS 211-734-8|Ethyl 10-hendecenoate|Ethyl 10-undecylenate|Ethyl undecenoate|Ethyl undecylenate|FEMA No. 2461|UNII-7P1S77T8BF|36118-46-4|62453-48-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044828
ARPathway2016 ARPathway2016_1494 Ethyl undec-10-enoate 692-86-4 DTXSID4044828 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)CCCCCCCCC=C Ethyl undec-10-enoate 692-86-4|Ethyl undec-10-enoate|10-Undecenoic acid, ethyl ester|BRN 1769949|EINECS 211-734-8|Ethyl 10-hendecenoate|Ethyl 10-undecylenate|Ethyl undecenoate|Ethyl undecylenate|FEMA No. 2461|UNII-7P1S77T8BF|36118-46-4|62453-48-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044828
ARPathway2016 ARPathway2016_1494 Ethyl undec-10-enoate 692-86-4 DTXSID4044828 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)CCCCCCCCC=C Ethyl undec-10-enoate 692-86-4|Ethyl undec-10-enoate|10-Undecenoic acid, ethyl ester|BRN 1769949|EINECS 211-734-8|Ethyl 10-hendecenoate|Ethyl 10-undecylenate|Ethyl undecenoate|Ethyl undecylenate|FEMA No. 2461|UNII-7P1S77T8BF|36118-46-4|62453-48-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044828
ERPathway2016 ERPathway2016_1617 Ethyl undec-10-enoate 692-86-4 DTXSID4044828 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)CCCCCCCCC=C Ethyl undec-10-enoate 692-86-4|Ethyl undec-10-enoate|10-Undecenoic acid, ethyl ester|BRN 1769949|EINECS 211-734-8|Ethyl 10-hendecenoate|Ethyl 10-undecylenate|Ethyl undecenoate|Ethyl undecylenate|FEMA No. 2461|UNII-7P1S77T8BF|36118-46-4|62453-48-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044828
ERPathway2016 ERPathway2016_1617 Ethyl undec-10-enoate 692-86-4 DTXSID4044828 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)CCCCCCCCC=C Ethyl undec-10-enoate 692-86-4|Ethyl undec-10-enoate|10-Undecenoic acid, ethyl ester|BRN 1769949|EINECS 211-734-8|Ethyl 10-hendecenoate|Ethyl 10-undecylenate|Ethyl undecenoate|Ethyl undecylenate|FEMA No. 2461|UNII-7P1S77T8BF|36118-46-4|62453-48-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044828
ERPathway2016 ERPathway2016_1617 Ethyl undec-10-enoate 692-86-4 DTXSID4044828 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)CCCCCCCCC=C Ethyl undec-10-enoate 692-86-4|Ethyl undec-10-enoate|10-Undecenoic acid, ethyl ester|BRN 1769949|EINECS 211-734-8|Ethyl 10-hendecenoate|Ethyl 10-undecylenate|Ethyl undecenoate|Ethyl undecylenate|FEMA No. 2461|UNII-7P1S77T8BF|36118-46-4|62453-48-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044828
ERPathway2016 ERPathway2016_1617 Ethyl undec-10-enoate 692-86-4 DTXSID4044828 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)CCCCCCCCC=C Ethyl undec-10-enoate 692-86-4|Ethyl undec-10-enoate|10-Undecenoic acid, ethyl ester|BRN 1769949|EINECS 211-734-8|Ethyl 10-hendecenoate|Ethyl 10-undecylenate|Ethyl undecenoate|Ethyl undecylenate|FEMA No. 2461|UNII-7P1S77T8BF|36118-46-4|62453-48-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044828
ARPathway2016 ARPathway2016_490 Ethylene glycol 107-21-1 DTXSID8020597 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCCO Ethylene glycol 107-21-1|Ethylene glycol|1,2-Dihydroxyethane|1,2-Ethane Diol|1,2-Ethanediol|1,2-Ethylene glycol|2-Hydroxyethanol|203-473-3|AETHYLENGLYKOL|Antifreeze|Caswell No. 441|DIHYDROXY ETHANE, 1,2-(FIBER GRADE)|Dowtherm SR 1|EC No.: 203-473-3|EINECS 203-473-3|etano-1,2-diol|Ethan-1,2-diol|Ethane-1,2-diol|Ethanediol|Ethylene alcohol|Ethylene dihydrate|ETHYLENE GLYCOL, MONO|ETHYLENEGLYCOL|Glycol alcohol|Glycol, ethylene-|Glysil GS|Macrogol 400 BPC|MONOETHYLENE GLYCOL|NCI-C00920|Norkool|NSC 93876|P.C. Code 042203|PC Code 042203|POLYESTER OF 1,2-ETHANEDIOL|UNII-FC72KVT52F|Union Carbide XL 54 Type I De-icing Fluid|1371582-33-0|37221-95-7|71767-64-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020597 https://doi.org/10.22427/NTP-DATA-DTXSID8020597
ARPathway2016 ARPathway2016_490 Ethylene glycol 107-21-1 DTXSID8020597 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCCO Ethylene glycol 107-21-1|Ethylene glycol|1,2-Dihydroxyethane|1,2-Ethane Diol|1,2-Ethanediol|1,2-Ethylene glycol|2-Hydroxyethanol|203-473-3|AETHYLENGLYKOL|Antifreeze|Caswell No. 441|DIHYDROXY ETHANE, 1,2-(FIBER GRADE)|Dowtherm SR 1|EC No.: 203-473-3|EINECS 203-473-3|etano-1,2-diol|Ethan-1,2-diol|Ethane-1,2-diol|Ethanediol|Ethylene alcohol|Ethylene dihydrate|ETHYLENE GLYCOL, MONO|ETHYLENEGLYCOL|Glycol alcohol|Glycol, ethylene-|Glysil GS|Macrogol 400 BPC|MONOETHYLENE GLYCOL|NCI-C00920|Norkool|NSC 93876|P.C. Code 042203|PC Code 042203|POLYESTER OF 1,2-ETHANEDIOL|UNII-FC72KVT52F|Union Carbide XL 54 Type I De-icing Fluid|1371582-33-0|37221-95-7|71767-64-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020597 https://doi.org/10.22427/NTP-DATA-DTXSID8020597
ARPathway2016 ARPathway2016_490 Ethylene glycol 107-21-1 DTXSID8020597 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCCO Ethylene glycol 107-21-1|Ethylene glycol|1,2-Dihydroxyethane|1,2-Ethane Diol|1,2-Ethanediol|1,2-Ethylene glycol|2-Hydroxyethanol|203-473-3|AETHYLENGLYKOL|Antifreeze|Caswell No. 441|DIHYDROXY ETHANE, 1,2-(FIBER GRADE)|Dowtherm SR 1|EC No.: 203-473-3|EINECS 203-473-3|etano-1,2-diol|Ethan-1,2-diol|Ethane-1,2-diol|Ethanediol|Ethylene alcohol|Ethylene dihydrate|ETHYLENE GLYCOL, MONO|ETHYLENEGLYCOL|Glycol alcohol|Glycol, ethylene-|Glysil GS|Macrogol 400 BPC|MONOETHYLENE GLYCOL|NCI-C00920|Norkool|NSC 93876|P.C. Code 042203|PC Code 042203|POLYESTER OF 1,2-ETHANEDIOL|UNII-FC72KVT52F|Union Carbide XL 54 Type I De-icing Fluid|1371582-33-0|37221-95-7|71767-64-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020597 https://doi.org/10.22427/NTP-DATA-DTXSID8020597
ARPathway2016 ARPathway2016_490 Ethylene glycol 107-21-1 DTXSID8020597 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCCO Ethylene glycol 107-21-1|Ethylene glycol|1,2-Dihydroxyethane|1,2-Ethane Diol|1,2-Ethanediol|1,2-Ethylene glycol|2-Hydroxyethanol|203-473-3|AETHYLENGLYKOL|Antifreeze|Caswell No. 441|DIHYDROXY ETHANE, 1,2-(FIBER GRADE)|Dowtherm SR 1|EC No.: 203-473-3|EINECS 203-473-3|etano-1,2-diol|Ethan-1,2-diol|Ethane-1,2-diol|Ethanediol|Ethylene alcohol|Ethylene dihydrate|ETHYLENE GLYCOL, MONO|ETHYLENEGLYCOL|Glycol alcohol|Glycol, ethylene-|Glysil GS|Macrogol 400 BPC|MONOETHYLENE GLYCOL|NCI-C00920|Norkool|NSC 93876|P.C. Code 042203|PC Code 042203|POLYESTER OF 1,2-ETHANEDIOL|UNII-FC72KVT52F|Union Carbide XL 54 Type I De-icing Fluid|1371582-33-0|37221-95-7|71767-64-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020597 https://doi.org/10.22427/NTP-DATA-DTXSID8020597
ERPathway2016 ERPathway2016_1098 Ethylene glycol 107-21-1 DTXSID8020597 ER Pathway Model, Agonist Model Score 0 Unitless OCCO Ethylene glycol 107-21-1|Ethylene glycol|1,2-Dihydroxyethane|1,2-Ethane Diol|1,2-Ethanediol|1,2-Ethylene glycol|2-Hydroxyethanol|203-473-3|AETHYLENGLYKOL|Antifreeze|Caswell No. 441|DIHYDROXY ETHANE, 1,2-(FIBER GRADE)|Dowtherm SR 1|EC No.: 203-473-3|EINECS 203-473-3|etano-1,2-diol|Ethan-1,2-diol|Ethane-1,2-diol|Ethanediol|Ethylene alcohol|Ethylene dihydrate|ETHYLENE GLYCOL, MONO|ETHYLENEGLYCOL|Glycol alcohol|Glycol, ethylene-|Glysil GS|Macrogol 400 BPC|MONOETHYLENE GLYCOL|NCI-C00920|Norkool|NSC 93876|P.C. Code 042203|PC Code 042203|POLYESTER OF 1,2-ETHANEDIOL|UNII-FC72KVT52F|Union Carbide XL 54 Type I De-icing Fluid|1371582-33-0|37221-95-7|71767-64-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020597 https://doi.org/10.22427/NTP-DATA-DTXSID8020597
ERPathway2016 ERPathway2016_1098 Ethylene glycol 107-21-1 DTXSID8020597 ER Pathway Model, Antagonist Model Score 0 Unitless OCCO Ethylene glycol 107-21-1|Ethylene glycol|1,2-Dihydroxyethane|1,2-Ethane Diol|1,2-Ethanediol|1,2-Ethylene glycol|2-Hydroxyethanol|203-473-3|AETHYLENGLYKOL|Antifreeze|Caswell No. 441|DIHYDROXY ETHANE, 1,2-(FIBER GRADE)|Dowtherm SR 1|EC No.: 203-473-3|EINECS 203-473-3|etano-1,2-diol|Ethan-1,2-diol|Ethane-1,2-diol|Ethanediol|Ethylene alcohol|Ethylene dihydrate|ETHYLENE GLYCOL, MONO|ETHYLENEGLYCOL|Glycol alcohol|Glycol, ethylene-|Glysil GS|Macrogol 400 BPC|MONOETHYLENE GLYCOL|NCI-C00920|Norkool|NSC 93876|P.C. Code 042203|PC Code 042203|POLYESTER OF 1,2-ETHANEDIOL|UNII-FC72KVT52F|Union Carbide XL 54 Type I De-icing Fluid|1371582-33-0|37221-95-7|71767-64-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020597 https://doi.org/10.22427/NTP-DATA-DTXSID8020597
ERPathway2016 ERPathway2016_1098 Ethylene glycol 107-21-1 DTXSID8020597 ER Pathway Model, Agonist Call Inactive Unitless OCCO Ethylene glycol 107-21-1|Ethylene glycol|1,2-Dihydroxyethane|1,2-Ethane Diol|1,2-Ethanediol|1,2-Ethylene glycol|2-Hydroxyethanol|203-473-3|AETHYLENGLYKOL|Antifreeze|Caswell No. 441|DIHYDROXY ETHANE, 1,2-(FIBER GRADE)|Dowtherm SR 1|EC No.: 203-473-3|EINECS 203-473-3|etano-1,2-diol|Ethan-1,2-diol|Ethane-1,2-diol|Ethanediol|Ethylene alcohol|Ethylene dihydrate|ETHYLENE GLYCOL, MONO|ETHYLENEGLYCOL|Glycol alcohol|Glycol, ethylene-|Glysil GS|Macrogol 400 BPC|MONOETHYLENE GLYCOL|NCI-C00920|Norkool|NSC 93876|P.C. Code 042203|PC Code 042203|POLYESTER OF 1,2-ETHANEDIOL|UNII-FC72KVT52F|Union Carbide XL 54 Type I De-icing Fluid|1371582-33-0|37221-95-7|71767-64-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020597 https://doi.org/10.22427/NTP-DATA-DTXSID8020597
ERPathway2016 ERPathway2016_1098 Ethylene glycol 107-21-1 DTXSID8020597 ER Pathway Model, Antagonist Call Inactive Unitless OCCO Ethylene glycol 107-21-1|Ethylene glycol|1,2-Dihydroxyethane|1,2-Ethane Diol|1,2-Ethanediol|1,2-Ethylene glycol|2-Hydroxyethanol|203-473-3|AETHYLENGLYKOL|Antifreeze|Caswell No. 441|DIHYDROXY ETHANE, 1,2-(FIBER GRADE)|Dowtherm SR 1|EC No.: 203-473-3|EINECS 203-473-3|etano-1,2-diol|Ethan-1,2-diol|Ethane-1,2-diol|Ethanediol|Ethylene alcohol|Ethylene dihydrate|ETHYLENE GLYCOL, MONO|ETHYLENEGLYCOL|Glycol alcohol|Glycol, ethylene-|Glysil GS|Macrogol 400 BPC|MONOETHYLENE GLYCOL|NCI-C00920|Norkool|NSC 93876|P.C. Code 042203|PC Code 042203|POLYESTER OF 1,2-ETHANEDIOL|UNII-FC72KVT52F|Union Carbide XL 54 Type I De-icing Fluid|1371582-33-0|37221-95-7|71767-64-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020597 https://doi.org/10.22427/NTP-DATA-DTXSID8020597
ARPathway2016 ARPathway2016_560 Ethylene glycol monoethyl ether acetate 111-15-9 DTXSID9021928 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOCCOC(C)=O Ethylene glycol monoethyl ether acetate 111-15-9|Ethylene glycol monoethyl ether acetate|1-Acetoxy-2-ethoxyethane|2-Aethoxy-aethylacetat|2-Ethoxy acetate|2-Ethoxy-ethylacetaat|2-Ethoxyethanol acetate|2-Ethoxyethanol acetate ester|2-Ethoxyethanol, Acetate|2-ETHOXYETHYL ACETONE|2-Ethoxyethylacetat|2-Ethoxyethylacetate|2-Ethoxyethyle, acetate de|2-Ethoxyethylester kyseliny octove|2-ETHOXYETHYLETHANOATE|2-Etossietil-acetato|Acetate d'ethylglycol|Acetate de 2-ethoxyethyle|Acetate de cellosolve|Acetate de l'ether monoethylique de l'ethylene-glycol|ACETATE, 2-ETHOXYETHYL|ACETATE, ETHOXYETHYL|acetato de 2-etoxietilo|Acetato di cellosolve|Acetic acid, 2-ethoxyethyl ester|Aethylenglykolaetheracetat|CELLOSOLVE ACETATE|Diethylene glycol ethyl ether acetate|Ektasolve EE acetate solvent|ESSIGSAEURE-(2-AETHOXYAETHYL)-ESTER|Ethanol, 2-ethoxy-, 1-acetate|Ethanol, 2-ethoxy-, acetate|Ethoxyethyl acetate|Ethyl cellosolve acetaat|Ethyl cellosolve acetate|Ethyl glycol acetate|Ethylene glycol acetate monoethyl ether|Ethylene glycol ethyl ether acetate|Ethylene glycol monoethyl ether acetate|Ethylene glycol monoethyl et https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021928 https://doi.org/10.22427/NTP-DATA-DTXSID9021928
ARPathway2016 ARPathway2016_560 Ethylene glycol monoethyl ether acetate 111-15-9 DTXSID9021928 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOCCOC(C)=O Ethylene glycol monoethyl ether acetate 111-15-9|Ethylene glycol monoethyl ether acetate|1-Acetoxy-2-ethoxyethane|2-Aethoxy-aethylacetat|2-Ethoxy acetate|2-Ethoxy-ethylacetaat|2-Ethoxyethanol acetate|2-Ethoxyethanol acetate ester|2-Ethoxyethanol, Acetate|2-ETHOXYETHYL ACETONE|2-Ethoxyethylacetat|2-Ethoxyethylacetate|2-Ethoxyethyle, acetate de|2-Ethoxyethylester kyseliny octove|2-ETHOXYETHYLETHANOATE|2-Etossietil-acetato|Acetate d'ethylglycol|Acetate de 2-ethoxyethyle|Acetate de cellosolve|Acetate de l'ether monoethylique de l'ethylene-glycol|ACETATE, 2-ETHOXYETHYL|ACETATE, ETHOXYETHYL|acetato de 2-etoxietilo|Acetato di cellosolve|Acetic acid, 2-ethoxyethyl ester|Aethylenglykolaetheracetat|CELLOSOLVE ACETATE|Diethylene glycol ethyl ether acetate|Ektasolve EE acetate solvent|ESSIGSAEURE-(2-AETHOXYAETHYL)-ESTER|Ethanol, 2-ethoxy-, 1-acetate|Ethanol, 2-ethoxy-, acetate|Ethoxyethyl acetate|Ethyl cellosolve acetaat|Ethyl cellosolve acetate|Ethyl glycol acetate|Ethylene glycol acetate monoethyl ether|Ethylene glycol ethyl ether acetate|Ethylene glycol monoethyl ether acetate|Ethylene glycol monoethyl et https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021928 https://doi.org/10.22427/NTP-DATA-DTXSID9021928
ARPathway2016 ARPathway2016_560 Ethylene glycol monoethyl ether acetate 111-15-9 DTXSID9021928 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOCCOC(C)=O Ethylene glycol monoethyl ether acetate 111-15-9|Ethylene glycol monoethyl ether acetate|1-Acetoxy-2-ethoxyethane|2-Aethoxy-aethylacetat|2-Ethoxy acetate|2-Ethoxy-ethylacetaat|2-Ethoxyethanol acetate|2-Ethoxyethanol acetate ester|2-Ethoxyethanol, Acetate|2-ETHOXYETHYL ACETONE|2-Ethoxyethylacetat|2-Ethoxyethylacetate|2-Ethoxyethyle, acetate de|2-Ethoxyethylester kyseliny octove|2-ETHOXYETHYLETHANOATE|2-Etossietil-acetato|Acetate d'ethylglycol|Acetate de 2-ethoxyethyle|Acetate de cellosolve|Acetate de l'ether monoethylique de l'ethylene-glycol|ACETATE, 2-ETHOXYETHYL|ACETATE, ETHOXYETHYL|acetato de 2-etoxietilo|Acetato di cellosolve|Acetic acid, 2-ethoxyethyl ester|Aethylenglykolaetheracetat|CELLOSOLVE ACETATE|Diethylene glycol ethyl ether acetate|Ektasolve EE acetate solvent|ESSIGSAEURE-(2-AETHOXYAETHYL)-ESTER|Ethanol, 2-ethoxy-, 1-acetate|Ethanol, 2-ethoxy-, acetate|Ethoxyethyl acetate|Ethyl cellosolve acetaat|Ethyl cellosolve acetate|Ethyl glycol acetate|Ethylene glycol acetate monoethyl ether|Ethylene glycol ethyl ether acetate|Ethylene glycol monoethyl ether acetate|Ethylene glycol monoethyl et https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021928 https://doi.org/10.22427/NTP-DATA-DTXSID9021928
ARPathway2016 ARPathway2016_560 Ethylene glycol monoethyl ether acetate 111-15-9 DTXSID9021928 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOCCOC(C)=O Ethylene glycol monoethyl ether acetate 111-15-9|Ethylene glycol monoethyl ether acetate|1-Acetoxy-2-ethoxyethane|2-Aethoxy-aethylacetat|2-Ethoxy acetate|2-Ethoxy-ethylacetaat|2-Ethoxyethanol acetate|2-Ethoxyethanol acetate ester|2-Ethoxyethanol, Acetate|2-ETHOXYETHYL ACETONE|2-Ethoxyethylacetat|2-Ethoxyethylacetate|2-Ethoxyethyle, acetate de|2-Ethoxyethylester kyseliny octove|2-ETHOXYETHYLETHANOATE|2-Etossietil-acetato|Acetate d'ethylglycol|Acetate de 2-ethoxyethyle|Acetate de cellosolve|Acetate de l'ether monoethylique de l'ethylene-glycol|ACETATE, 2-ETHOXYETHYL|ACETATE, ETHOXYETHYL|acetato de 2-etoxietilo|Acetato di cellosolve|Acetic acid, 2-ethoxyethyl ester|Aethylenglykolaetheracetat|CELLOSOLVE ACETATE|Diethylene glycol ethyl ether acetate|Ektasolve EE acetate solvent|ESSIGSAEURE-(2-AETHOXYAETHYL)-ESTER|Ethanol, 2-ethoxy-, 1-acetate|Ethanol, 2-ethoxy-, acetate|Ethoxyethyl acetate|Ethyl cellosolve acetaat|Ethyl cellosolve acetate|Ethyl glycol acetate|Ethylene glycol acetate monoethyl ether|Ethylene glycol ethyl ether acetate|Ethylene glycol monoethyl ether acetate|Ethylene glycol monoethyl et https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021928 https://doi.org/10.22427/NTP-DATA-DTXSID9021928
ERPathway2016 ERPathway2016_1146 Ethylene glycol monoethyl ether acetate 111-15-9 DTXSID9021928 ER Pathway Model, Agonist Model Score 0 Unitless CCOCCOC(C)=O Ethylene glycol monoethyl ether acetate 111-15-9|Ethylene glycol monoethyl ether acetate|1-Acetoxy-2-ethoxyethane|2-Aethoxy-aethylacetat|2-Ethoxy acetate|2-Ethoxy-ethylacetaat|2-Ethoxyethanol acetate|2-Ethoxyethanol acetate ester|2-Ethoxyethanol, Acetate|2-ETHOXYETHYL ACETONE|2-Ethoxyethylacetat|2-Ethoxyethylacetate|2-Ethoxyethyle, acetate de|2-Ethoxyethylester kyseliny octove|2-ETHOXYETHYLETHANOATE|2-Etossietil-acetato|Acetate d'ethylglycol|Acetate de 2-ethoxyethyle|Acetate de cellosolve|Acetate de l'ether monoethylique de l'ethylene-glycol|ACETATE, 2-ETHOXYETHYL|ACETATE, ETHOXYETHYL|acetato de 2-etoxietilo|Acetato di cellosolve|Acetic acid, 2-ethoxyethyl ester|Aethylenglykolaetheracetat|CELLOSOLVE ACETATE|Diethylene glycol ethyl ether acetate|Ektasolve EE acetate solvent|ESSIGSAEURE-(2-AETHOXYAETHYL)-ESTER|Ethanol, 2-ethoxy-, 1-acetate|Ethanol, 2-ethoxy-, acetate|Ethoxyethyl acetate|Ethyl cellosolve acetaat|Ethyl cellosolve acetate|Ethyl glycol acetate|Ethylene glycol acetate monoethyl ether|Ethylene glycol ethyl ether acetate|Ethylene glycol monoethyl ether acetate|Ethylene glycol monoethyl et https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021928 https://doi.org/10.22427/NTP-DATA-DTXSID9021928
ERPathway2016 ERPathway2016_1146 Ethylene glycol monoethyl ether acetate 111-15-9 DTXSID9021928 ER Pathway Model, Antagonist Model Score 0 Unitless CCOCCOC(C)=O Ethylene glycol monoethyl ether acetate 111-15-9|Ethylene glycol monoethyl ether acetate|1-Acetoxy-2-ethoxyethane|2-Aethoxy-aethylacetat|2-Ethoxy acetate|2-Ethoxy-ethylacetaat|2-Ethoxyethanol acetate|2-Ethoxyethanol acetate ester|2-Ethoxyethanol, Acetate|2-ETHOXYETHYL ACETONE|2-Ethoxyethylacetat|2-Ethoxyethylacetate|2-Ethoxyethyle, acetate de|2-Ethoxyethylester kyseliny octove|2-ETHOXYETHYLETHANOATE|2-Etossietil-acetato|Acetate d'ethylglycol|Acetate de 2-ethoxyethyle|Acetate de cellosolve|Acetate de l'ether monoethylique de l'ethylene-glycol|ACETATE, 2-ETHOXYETHYL|ACETATE, ETHOXYETHYL|acetato de 2-etoxietilo|Acetato di cellosolve|Acetic acid, 2-ethoxyethyl ester|Aethylenglykolaetheracetat|CELLOSOLVE ACETATE|Diethylene glycol ethyl ether acetate|Ektasolve EE acetate solvent|ESSIGSAEURE-(2-AETHOXYAETHYL)-ESTER|Ethanol, 2-ethoxy-, 1-acetate|Ethanol, 2-ethoxy-, acetate|Ethoxyethyl acetate|Ethyl cellosolve acetaat|Ethyl cellosolve acetate|Ethyl glycol acetate|Ethylene glycol acetate monoethyl ether|Ethylene glycol ethyl ether acetate|Ethylene glycol monoethyl ether acetate|Ethylene glycol monoethyl et https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021928 https://doi.org/10.22427/NTP-DATA-DTXSID9021928
ERPathway2016 ERPathway2016_1146 Ethylene glycol monoethyl ether acetate 111-15-9 DTXSID9021928 ER Pathway Model, Agonist Call Inactive Unitless CCOCCOC(C)=O Ethylene glycol monoethyl ether acetate 111-15-9|Ethylene glycol monoethyl ether acetate|1-Acetoxy-2-ethoxyethane|2-Aethoxy-aethylacetat|2-Ethoxy acetate|2-Ethoxy-ethylacetaat|2-Ethoxyethanol acetate|2-Ethoxyethanol acetate ester|2-Ethoxyethanol, Acetate|2-ETHOXYETHYL ACETONE|2-Ethoxyethylacetat|2-Ethoxyethylacetate|2-Ethoxyethyle, acetate de|2-Ethoxyethylester kyseliny octove|2-ETHOXYETHYLETHANOATE|2-Etossietil-acetato|Acetate d'ethylglycol|Acetate de 2-ethoxyethyle|Acetate de cellosolve|Acetate de l'ether monoethylique de l'ethylene-glycol|ACETATE, 2-ETHOXYETHYL|ACETATE, ETHOXYETHYL|acetato de 2-etoxietilo|Acetato di cellosolve|Acetic acid, 2-ethoxyethyl ester|Aethylenglykolaetheracetat|CELLOSOLVE ACETATE|Diethylene glycol ethyl ether acetate|Ektasolve EE acetate solvent|ESSIGSAEURE-(2-AETHOXYAETHYL)-ESTER|Ethanol, 2-ethoxy-, 1-acetate|Ethanol, 2-ethoxy-, acetate|Ethoxyethyl acetate|Ethyl cellosolve acetaat|Ethyl cellosolve acetate|Ethyl glycol acetate|Ethylene glycol acetate monoethyl ether|Ethylene glycol ethyl ether acetate|Ethylene glycol monoethyl ether acetate|Ethylene glycol monoethyl et https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021928 https://doi.org/10.22427/NTP-DATA-DTXSID9021928
ERPathway2016 ERPathway2016_1146 Ethylene glycol monoethyl ether acetate 111-15-9 DTXSID9021928 ER Pathway Model, Antagonist Call Inactive Unitless CCOCCOC(C)=O Ethylene glycol monoethyl ether acetate 111-15-9|Ethylene glycol monoethyl ether acetate|1-Acetoxy-2-ethoxyethane|2-Aethoxy-aethylacetat|2-Ethoxy acetate|2-Ethoxy-ethylacetaat|2-Ethoxyethanol acetate|2-Ethoxyethanol acetate ester|2-Ethoxyethanol, Acetate|2-ETHOXYETHYL ACETONE|2-Ethoxyethylacetat|2-Ethoxyethylacetate|2-Ethoxyethyle, acetate de|2-Ethoxyethylester kyseliny octove|2-ETHOXYETHYLETHANOATE|2-Etossietil-acetato|Acetate d'ethylglycol|Acetate de 2-ethoxyethyle|Acetate de cellosolve|Acetate de l'ether monoethylique de l'ethylene-glycol|ACETATE, 2-ETHOXYETHYL|ACETATE, ETHOXYETHYL|acetato de 2-etoxietilo|Acetato di cellosolve|Acetic acid, 2-ethoxyethyl ester|Aethylenglykolaetheracetat|CELLOSOLVE ACETATE|Diethylene glycol ethyl ether acetate|Ektasolve EE acetate solvent|ESSIGSAEURE-(2-AETHOXYAETHYL)-ESTER|Ethanol, 2-ethoxy-, 1-acetate|Ethanol, 2-ethoxy-, acetate|Ethoxyethyl acetate|Ethyl cellosolve acetaat|Ethyl cellosolve acetate|Ethyl glycol acetate|Ethylene glycol acetate monoethyl ether|Ethylene glycol ethyl ether acetate|Ethylene glycol monoethyl ether acetate|Ethylene glycol monoethyl et https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021928 https://doi.org/10.22427/NTP-DATA-DTXSID9021928
ARPathway2016 ARPathway2016_672 Ethylenebis(oxyethylene) dibenzoate 120-56-9 DTXSID7029611 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C(OCCOCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Ethylenebis(oxyethylene) dibenzoate 120-56-9|Ethylenebis(oxyethylene) dibenzoate|3,6-Dioxaoctane-1,8-diyl dibenzoate|Benzoflex T 150|EINECS 204-408-1|Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis-, dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, dibenzoate|NSC 166503|Triethylene glycol dibenzoate|UNII-61TI5SZ2UA|51747-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029611
ARPathway2016 ARPathway2016_672 Ethylenebis(oxyethylene) dibenzoate 120-56-9 DTXSID7029611 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C(OCCOCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Ethylenebis(oxyethylene) dibenzoate 120-56-9|Ethylenebis(oxyethylene) dibenzoate|3,6-Dioxaoctane-1,8-diyl dibenzoate|Benzoflex T 150|EINECS 204-408-1|Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis-, dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, dibenzoate|NSC 166503|Triethylene glycol dibenzoate|UNII-61TI5SZ2UA|51747-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029611
ARPathway2016 ARPathway2016_672 Ethylenebis(oxyethylene) dibenzoate 120-56-9 DTXSID7029611 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C(OCCOCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Ethylenebis(oxyethylene) dibenzoate 120-56-9|Ethylenebis(oxyethylene) dibenzoate|3,6-Dioxaoctane-1,8-diyl dibenzoate|Benzoflex T 150|EINECS 204-408-1|Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis-, dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, dibenzoate|NSC 166503|Triethylene glycol dibenzoate|UNII-61TI5SZ2UA|51747-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029611
ARPathway2016 ARPathway2016_672 Ethylenebis(oxyethylene) dibenzoate 120-56-9 DTXSID7029611 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C(OCCOCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Ethylenebis(oxyethylene) dibenzoate 120-56-9|Ethylenebis(oxyethylene) dibenzoate|3,6-Dioxaoctane-1,8-diyl dibenzoate|Benzoflex T 150|EINECS 204-408-1|Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis-, dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, dibenzoate|NSC 166503|Triethylene glycol dibenzoate|UNII-61TI5SZ2UA|51747-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029611
ERPathway2016 ERPathway2016_255 Ethylenebis(oxyethylene) dibenzoate 120-56-9 DTXSID7029611 R6 ER Pathway Model, Antagonist AC50 1.71305789319475 uM O=C(OCCOCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Ethylenebis(oxyethylene) dibenzoate 120-56-9|Ethylenebis(oxyethylene) dibenzoate|3,6-Dioxaoctane-1,8-diyl dibenzoate|Benzoflex T 150|EINECS 204-408-1|Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis-, dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, dibenzoate|NSC 166503|Triethylene glycol dibenzoate|UNII-61TI5SZ2UA|51747-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029611
ERPathway2016 ERPathway2016_255 Ethylenebis(oxyethylene) dibenzoate 120-56-9 DTXSID7029611 R6 ER Pathway Model, Antagonist ACC 0.778819085144965 uM O=C(OCCOCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Ethylenebis(oxyethylene) dibenzoate 120-56-9|Ethylenebis(oxyethylene) dibenzoate|3,6-Dioxaoctane-1,8-diyl dibenzoate|Benzoflex T 150|EINECS 204-408-1|Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis-, dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, dibenzoate|NSC 166503|Triethylene glycol dibenzoate|UNII-61TI5SZ2UA|51747-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029611
ERPathway2016 ERPathway2016_255 Ethylenebis(oxyethylene) dibenzoate 120-56-9 DTXSID7029611 R6 ER Pathway Model, Agonist Model Score 0.0732 Unitless O=C(OCCOCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Ethylenebis(oxyethylene) dibenzoate 120-56-9|Ethylenebis(oxyethylene) dibenzoate|3,6-Dioxaoctane-1,8-diyl dibenzoate|Benzoflex T 150|EINECS 204-408-1|Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis-, dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, dibenzoate|NSC 166503|Triethylene glycol dibenzoate|UNII-61TI5SZ2UA|51747-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029611
ERPathway2016 ERPathway2016_255 Ethylenebis(oxyethylene) dibenzoate 120-56-9 DTXSID7029611 R6 ER Pathway Model, Antagonist Model Score 0 Unitless O=C(OCCOCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Ethylenebis(oxyethylene) dibenzoate 120-56-9|Ethylenebis(oxyethylene) dibenzoate|3,6-Dioxaoctane-1,8-diyl dibenzoate|Benzoflex T 150|EINECS 204-408-1|Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis-, dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, dibenzoate|NSC 166503|Triethylene glycol dibenzoate|UNII-61TI5SZ2UA|51747-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029611
ERPathway2016 ERPathway2016_255 Ethylenebis(oxyethylene) dibenzoate 120-56-9 DTXSID7029611 R6 ER Pathway Model, Agonist Call Inactive Unitless O=C(OCCOCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Ethylenebis(oxyethylene) dibenzoate 120-56-9|Ethylenebis(oxyethylene) dibenzoate|3,6-Dioxaoctane-1,8-diyl dibenzoate|Benzoflex T 150|EINECS 204-408-1|Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis-, dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, dibenzoate|NSC 166503|Triethylene glycol dibenzoate|UNII-61TI5SZ2UA|51747-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029611
ERPathway2016 ERPathway2016_255 Ethylenebis(oxyethylene) dibenzoate 120-56-9 DTXSID7029611 R6 ER Pathway Model, Antagonist Call Active Unitless O=C(OCCOCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Ethylenebis(oxyethylene) dibenzoate 120-56-9|Ethylenebis(oxyethylene) dibenzoate|3,6-Dioxaoctane-1,8-diyl dibenzoate|Benzoflex T 150|EINECS 204-408-1|Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis-, dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-dibenzoate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, dibenzoate|NSC 166503|Triethylene glycol dibenzoate|UNII-61TI5SZ2UA|51747-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029611
ARPathway2016 ARPathway2016_904 Ethylenediaminetetraacetic acid ferric sodium salt 15708-41-5 DTXSID5027774 1.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Fe+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O Ethylenediaminetetraacetic acid ferric sodium salt 15708-41-5|Ethylenediaminetetraacetic acid ferric sodium salt|(Ethylenedinitrilo)tetraacetic acid, monosodium iron salt|Calmosine|Edathamil monosodium ferric salt|EDTA, IRON (III) SODIUM|EINECS 239-802-2|Ethylenediaminetetraacetic acid ferric monosodium salt|feredato sodico|Feredetate de sodium|Ferisan|Ferrate(1-), ((ethylenedinitrilo)tetraacetato)-, sodium|Ferrate(1-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, sodium (1:1), (OC-6-21)-|Ferrate(1-), [(ethylenedinitrilo)tetraacetato]-, sodium|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']-, sodium, (OC-6-21)-|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, sodium (1:1), (OC-6-21)-|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, sodium, (OC-6-21)-|Ferrazone|Ferric ethylenediaminetetraacetic acid, sodium salt|Ferric sodium edetate|Ferric sodium EDTA|Ferric sodium ethylenediaminetetraacetate|Ferrostrane|Ferrostrene|Iron chelate of the monosodium salt of (ethylened|11079-05-3|29507-61-7|36619-30-4|39458-91-8|52645-49-5|55648-23-2|5915-66-2|7487-54-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027774
ARPathway2016 ARPathway2016_904 Ethylenediaminetetraacetic acid ferric sodium salt 15708-41-5 DTXSID5027774 1.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[Fe+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O Ethylenediaminetetraacetic acid ferric sodium salt 15708-41-5|Ethylenediaminetetraacetic acid ferric sodium salt|(Ethylenedinitrilo)tetraacetic acid, monosodium iron salt|Calmosine|Edathamil monosodium ferric salt|EDTA, IRON (III) SODIUM|EINECS 239-802-2|Ethylenediaminetetraacetic acid ferric monosodium salt|feredato sodico|Feredetate de sodium|Ferisan|Ferrate(1-), ((ethylenedinitrilo)tetraacetato)-, sodium|Ferrate(1-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, sodium (1:1), (OC-6-21)-|Ferrate(1-), [(ethylenedinitrilo)tetraacetato]-, sodium|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']-, sodium, (OC-6-21)-|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, sodium (1:1), (OC-6-21)-|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, sodium, (OC-6-21)-|Ferrazone|Ferric ethylenediaminetetraacetic acid, sodium salt|Ferric sodium edetate|Ferric sodium EDTA|Ferric sodium ethylenediaminetetraacetate|Ferrostrane|Ferrostrene|Iron chelate of the monosodium salt of (ethylened|11079-05-3|29507-61-7|36619-30-4|39458-91-8|52645-49-5|55648-23-2|5915-66-2|7487-54-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027774
ARPathway2016 ARPathway2016_904 Ethylenediaminetetraacetic acid ferric sodium salt 15708-41-5 DTXSID5027774 1.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Fe+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O Ethylenediaminetetraacetic acid ferric sodium salt 15708-41-5|Ethylenediaminetetraacetic acid ferric sodium salt|(Ethylenedinitrilo)tetraacetic acid, monosodium iron salt|Calmosine|Edathamil monosodium ferric salt|EDTA, IRON (III) SODIUM|EINECS 239-802-2|Ethylenediaminetetraacetic acid ferric monosodium salt|feredato sodico|Feredetate de sodium|Ferisan|Ferrate(1-), ((ethylenedinitrilo)tetraacetato)-, sodium|Ferrate(1-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, sodium (1:1), (OC-6-21)-|Ferrate(1-), [(ethylenedinitrilo)tetraacetato]-, sodium|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']-, sodium, (OC-6-21)-|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, sodium (1:1), (OC-6-21)-|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, sodium, (OC-6-21)-|Ferrazone|Ferric ethylenediaminetetraacetic acid, sodium salt|Ferric sodium edetate|Ferric sodium EDTA|Ferric sodium ethylenediaminetetraacetate|Ferrostrane|Ferrostrene|Iron chelate of the monosodium salt of (ethylened|11079-05-3|29507-61-7|36619-30-4|39458-91-8|52645-49-5|55648-23-2|5915-66-2|7487-54-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027774
ARPathway2016 ARPathway2016_904 Ethylenediaminetetraacetic acid ferric sodium salt 15708-41-5 DTXSID5027774 1.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Fe+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O Ethylenediaminetetraacetic acid ferric sodium salt 15708-41-5|Ethylenediaminetetraacetic acid ferric sodium salt|(Ethylenedinitrilo)tetraacetic acid, monosodium iron salt|Calmosine|Edathamil monosodium ferric salt|EDTA, IRON (III) SODIUM|EINECS 239-802-2|Ethylenediaminetetraacetic acid ferric monosodium salt|feredato sodico|Feredetate de sodium|Ferisan|Ferrate(1-), ((ethylenedinitrilo)tetraacetato)-, sodium|Ferrate(1-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, sodium (1:1), (OC-6-21)-|Ferrate(1-), [(ethylenedinitrilo)tetraacetato]-, sodium|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']-, sodium, (OC-6-21)-|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, sodium (1:1), (OC-6-21)-|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, sodium, (OC-6-21)-|Ferrazone|Ferric ethylenediaminetetraacetic acid, sodium salt|Ferric sodium edetate|Ferric sodium EDTA|Ferric sodium ethylenediaminetetraacetate|Ferrostrane|Ferrostrene|Iron chelate of the monosodium salt of (ethylened|11079-05-3|29507-61-7|36619-30-4|39458-91-8|52645-49-5|55648-23-2|5915-66-2|7487-54-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027774
ERPathway2016 ERPathway2016_1332 Ethylenediaminetetraacetic acid ferric sodium salt 15708-41-5 DTXSID5027774 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Fe+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O Ethylenediaminetetraacetic acid ferric sodium salt 15708-41-5|Ethylenediaminetetraacetic acid ferric sodium salt|(Ethylenedinitrilo)tetraacetic acid, monosodium iron salt|Calmosine|Edathamil monosodium ferric salt|EDTA, IRON (III) SODIUM|EINECS 239-802-2|Ethylenediaminetetraacetic acid ferric monosodium salt|feredato sodico|Feredetate de sodium|Ferisan|Ferrate(1-), ((ethylenedinitrilo)tetraacetato)-, sodium|Ferrate(1-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, sodium (1:1), (OC-6-21)-|Ferrate(1-), [(ethylenedinitrilo)tetraacetato]-, sodium|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']-, sodium, (OC-6-21)-|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, sodium (1:1), (OC-6-21)-|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, sodium, (OC-6-21)-|Ferrazone|Ferric ethylenediaminetetraacetic acid, sodium salt|Ferric sodium edetate|Ferric sodium EDTA|Ferric sodium ethylenediaminetetraacetate|Ferrostrane|Ferrostrene|Iron chelate of the monosodium salt of (ethylened|11079-05-3|29507-61-7|36619-30-4|39458-91-8|52645-49-5|55648-23-2|5915-66-2|7487-54-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027774
ERPathway2016 ERPathway2016_1332 Ethylenediaminetetraacetic acid ferric sodium salt 15708-41-5 DTXSID5027774 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Fe+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O Ethylenediaminetetraacetic acid ferric sodium salt 15708-41-5|Ethylenediaminetetraacetic acid ferric sodium salt|(Ethylenedinitrilo)tetraacetic acid, monosodium iron salt|Calmosine|Edathamil monosodium ferric salt|EDTA, IRON (III) SODIUM|EINECS 239-802-2|Ethylenediaminetetraacetic acid ferric monosodium salt|feredato sodico|Feredetate de sodium|Ferisan|Ferrate(1-), ((ethylenedinitrilo)tetraacetato)-, sodium|Ferrate(1-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, sodium (1:1), (OC-6-21)-|Ferrate(1-), [(ethylenedinitrilo)tetraacetato]-, sodium|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']-, sodium, (OC-6-21)-|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, sodium (1:1), (OC-6-21)-|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, sodium, (OC-6-21)-|Ferrazone|Ferric ethylenediaminetetraacetic acid, sodium salt|Ferric sodium edetate|Ferric sodium EDTA|Ferric sodium ethylenediaminetetraacetate|Ferrostrane|Ferrostrene|Iron chelate of the monosodium salt of (ethylened|11079-05-3|29507-61-7|36619-30-4|39458-91-8|52645-49-5|55648-23-2|5915-66-2|7487-54-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027774
ERPathway2016 ERPathway2016_1332 Ethylenediaminetetraacetic acid ferric sodium salt 15708-41-5 DTXSID5027774 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Fe+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O Ethylenediaminetetraacetic acid ferric sodium salt 15708-41-5|Ethylenediaminetetraacetic acid ferric sodium salt|(Ethylenedinitrilo)tetraacetic acid, monosodium iron salt|Calmosine|Edathamil monosodium ferric salt|EDTA, IRON (III) SODIUM|EINECS 239-802-2|Ethylenediaminetetraacetic acid ferric monosodium salt|feredato sodico|Feredetate de sodium|Ferisan|Ferrate(1-), ((ethylenedinitrilo)tetraacetato)-, sodium|Ferrate(1-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, sodium (1:1), (OC-6-21)-|Ferrate(1-), [(ethylenedinitrilo)tetraacetato]-, sodium|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']-, sodium, (OC-6-21)-|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, sodium (1:1), (OC-6-21)-|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, sodium, (OC-6-21)-|Ferrazone|Ferric ethylenediaminetetraacetic acid, sodium salt|Ferric sodium edetate|Ferric sodium EDTA|Ferric sodium ethylenediaminetetraacetate|Ferrostrane|Ferrostrene|Iron chelate of the monosodium salt of (ethylened|11079-05-3|29507-61-7|36619-30-4|39458-91-8|52645-49-5|55648-23-2|5915-66-2|7487-54-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027774
ERPathway2016 ERPathway2016_1332 Ethylenediaminetetraacetic acid ferric sodium salt 15708-41-5 DTXSID5027774 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Fe+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O Ethylenediaminetetraacetic acid ferric sodium salt 15708-41-5|Ethylenediaminetetraacetic acid ferric sodium salt|(Ethylenedinitrilo)tetraacetic acid, monosodium iron salt|Calmosine|Edathamil monosodium ferric salt|EDTA, IRON (III) SODIUM|EINECS 239-802-2|Ethylenediaminetetraacetic acid ferric monosodium salt|feredato sodico|Feredetate de sodium|Ferisan|Ferrate(1-), ((ethylenedinitrilo)tetraacetato)-, sodium|Ferrate(1-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, sodium (1:1), (OC-6-21)-|Ferrate(1-), [(ethylenedinitrilo)tetraacetato]-, sodium|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']-, sodium, (OC-6-21)-|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, sodium (1:1), (OC-6-21)-|Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, sodium, (OC-6-21)-|Ferrazone|Ferric ethylenediaminetetraacetic acid, sodium salt|Ferric sodium edetate|Ferric sodium EDTA|Ferric sodium ethylenediaminetetraacetate|Ferrostrane|Ferrostrene|Iron chelate of the monosodium salt of (ethylened|11079-05-3|29507-61-7|36619-30-4|39458-91-8|52645-49-5|55648-23-2|5915-66-2|7487-54-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027774
ARPathway2016 ARPathway2016_668 Ethylparaben 120-47-8 DTXSID9022528 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1=CC=C(O)C=C1 Ethylparaben 120-47-8|Ethylparaben|4-(Ethoxycarbonyl)phenol|4-10-00-00367|4-Carbethoxyphenol|4-hidroxibenzoato de etilo|4-Hydroxybenzoate d'ethyle|4-HYDROXYBENZOESAEURE-AETHYLESTER|4-Hydroxybenzoic acid ethyl ester|Aseptin A|Aseptine A|Aseptoform E|BENZOATE, 4-HYDROXY-, ETHYL|Benzoic acid, 4-hydroxy-, ethyl ester|Benzoic acid, p-hydroxy-, ethyl ester|Bonomold OE|BRN 1101972|Carbethoxyphenol|Caswell No. 447|Easeptol|EINECS 204-399-4|EPA Pesticide Chemical Code 061202|Ester etylowykwasu p-hydroksybenzoesowego|ethyl 4-hydroxybenzoate|Ethyl Butex|Ethyl nipagin|Ethyl p-hydroxybenzoate|Ethyl p-oxybenzoate|Ethyl paraben|ETHYL PARASEPT|Ethyl-4-hydroxybenzoat|Ethylester kyseliny p-hydroxybenzoove|Mekkings E|Mycocten|Napagin A|Nipagin A|Nipazin A|NSC 23514|NSC 8510|p-(Ethoxycarbonyl)phenol|p-Carbethoxyphenol|p-Hydroxybenzoate ethyl ester|p-Hydroxybenzoic acid ethyl ester|p-Oxybenzoesaeureaethylester|Sobrol A|Solbrol A|Tegosept E|UNII-14255EXE39 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022528
ARPathway2016 ARPathway2016_668 Ethylparaben 120-47-8 DTXSID9022528 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1=CC=C(O)C=C1 Ethylparaben 120-47-8|Ethylparaben|4-(Ethoxycarbonyl)phenol|4-10-00-00367|4-Carbethoxyphenol|4-hidroxibenzoato de etilo|4-Hydroxybenzoate d'ethyle|4-HYDROXYBENZOESAEURE-AETHYLESTER|4-Hydroxybenzoic acid ethyl ester|Aseptin A|Aseptine A|Aseptoform E|BENZOATE, 4-HYDROXY-, ETHYL|Benzoic acid, 4-hydroxy-, ethyl ester|Benzoic acid, p-hydroxy-, ethyl ester|Bonomold OE|BRN 1101972|Carbethoxyphenol|Caswell No. 447|Easeptol|EINECS 204-399-4|EPA Pesticide Chemical Code 061202|Ester etylowykwasu p-hydroksybenzoesowego|ethyl 4-hydroxybenzoate|Ethyl Butex|Ethyl nipagin|Ethyl p-hydroxybenzoate|Ethyl p-oxybenzoate|Ethyl paraben|ETHYL PARASEPT|Ethyl-4-hydroxybenzoat|Ethylester kyseliny p-hydroxybenzoove|Mekkings E|Mycocten|Napagin A|Nipagin A|Nipazin A|NSC 23514|NSC 8510|p-(Ethoxycarbonyl)phenol|p-Carbethoxyphenol|p-Hydroxybenzoate ethyl ester|p-Hydroxybenzoic acid ethyl ester|p-Oxybenzoesaeureaethylester|Sobrol A|Solbrol A|Tegosept E|UNII-14255EXE39 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022528
ARPathway2016 ARPathway2016_668 Ethylparaben 120-47-8 DTXSID9022528 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1=CC=C(O)C=C1 Ethylparaben 120-47-8|Ethylparaben|4-(Ethoxycarbonyl)phenol|4-10-00-00367|4-Carbethoxyphenol|4-hidroxibenzoato de etilo|4-Hydroxybenzoate d'ethyle|4-HYDROXYBENZOESAEURE-AETHYLESTER|4-Hydroxybenzoic acid ethyl ester|Aseptin A|Aseptine A|Aseptoform E|BENZOATE, 4-HYDROXY-, ETHYL|Benzoic acid, 4-hydroxy-, ethyl ester|Benzoic acid, p-hydroxy-, ethyl ester|Bonomold OE|BRN 1101972|Carbethoxyphenol|Caswell No. 447|Easeptol|EINECS 204-399-4|EPA Pesticide Chemical Code 061202|Ester etylowykwasu p-hydroksybenzoesowego|ethyl 4-hydroxybenzoate|Ethyl Butex|Ethyl nipagin|Ethyl p-hydroxybenzoate|Ethyl p-oxybenzoate|Ethyl paraben|ETHYL PARASEPT|Ethyl-4-hydroxybenzoat|Ethylester kyseliny p-hydroxybenzoove|Mekkings E|Mycocten|Napagin A|Nipagin A|Nipazin A|NSC 23514|NSC 8510|p-(Ethoxycarbonyl)phenol|p-Carbethoxyphenol|p-Hydroxybenzoate ethyl ester|p-Hydroxybenzoic acid ethyl ester|p-Oxybenzoesaeureaethylester|Sobrol A|Solbrol A|Tegosept E|UNII-14255EXE39 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022528
ARPathway2016 ARPathway2016_668 Ethylparaben 120-47-8 DTXSID9022528 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1=CC=C(O)C=C1 Ethylparaben 120-47-8|Ethylparaben|4-(Ethoxycarbonyl)phenol|4-10-00-00367|4-Carbethoxyphenol|4-hidroxibenzoato de etilo|4-Hydroxybenzoate d'ethyle|4-HYDROXYBENZOESAEURE-AETHYLESTER|4-Hydroxybenzoic acid ethyl ester|Aseptin A|Aseptine A|Aseptoform E|BENZOATE, 4-HYDROXY-, ETHYL|Benzoic acid, 4-hydroxy-, ethyl ester|Benzoic acid, p-hydroxy-, ethyl ester|Bonomold OE|BRN 1101972|Carbethoxyphenol|Caswell No. 447|Easeptol|EINECS 204-399-4|EPA Pesticide Chemical Code 061202|Ester etylowykwasu p-hydroksybenzoesowego|ethyl 4-hydroxybenzoate|Ethyl Butex|Ethyl nipagin|Ethyl p-hydroxybenzoate|Ethyl p-oxybenzoate|Ethyl paraben|ETHYL PARASEPT|Ethyl-4-hydroxybenzoat|Ethylester kyseliny p-hydroxybenzoove|Mekkings E|Mycocten|Napagin A|Nipagin A|Nipazin A|NSC 23514|NSC 8510|p-(Ethoxycarbonyl)phenol|p-Carbethoxyphenol|p-Hydroxybenzoate ethyl ester|p-Hydroxybenzoic acid ethyl ester|p-Oxybenzoesaeureaethylester|Sobrol A|Solbrol A|Tegosept E|UNII-14255EXE39 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022528
ERPathway2016 ERPathway2016_251 Ethylparaben 120-47-8 DTXSID9022528 ER Pathway Model, Antagonist AC50 26.8229513775814 uM CCOC(=O)C1=CC=C(O)C=C1 Ethylparaben 120-47-8|Ethylparaben|4-(Ethoxycarbonyl)phenol|4-10-00-00367|4-Carbethoxyphenol|4-hidroxibenzoato de etilo|4-Hydroxybenzoate d'ethyle|4-HYDROXYBENZOESAEURE-AETHYLESTER|4-Hydroxybenzoic acid ethyl ester|Aseptin A|Aseptine A|Aseptoform E|BENZOATE, 4-HYDROXY-, ETHYL|Benzoic acid, 4-hydroxy-, ethyl ester|Benzoic acid, p-hydroxy-, ethyl ester|Bonomold OE|BRN 1101972|Carbethoxyphenol|Caswell No. 447|Easeptol|EINECS 204-399-4|EPA Pesticide Chemical Code 061202|Ester etylowykwasu p-hydroksybenzoesowego|ethyl 4-hydroxybenzoate|Ethyl Butex|Ethyl nipagin|Ethyl p-hydroxybenzoate|Ethyl p-oxybenzoate|Ethyl paraben|ETHYL PARASEPT|Ethyl-4-hydroxybenzoat|Ethylester kyseliny p-hydroxybenzoove|Mekkings E|Mycocten|Napagin A|Nipagin A|Nipazin A|NSC 23514|NSC 8510|p-(Ethoxycarbonyl)phenol|p-Carbethoxyphenol|p-Hydroxybenzoate ethyl ester|p-Hydroxybenzoic acid ethyl ester|p-Oxybenzoesaeureaethylester|Sobrol A|Solbrol A|Tegosept E|UNII-14255EXE39 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022528
ERPathway2016 ERPathway2016_251 Ethylparaben 120-47-8 DTXSID9022528 ER Pathway Model, Antagonist ACC 12.7721629015894 uM CCOC(=O)C1=CC=C(O)C=C1 Ethylparaben 120-47-8|Ethylparaben|4-(Ethoxycarbonyl)phenol|4-10-00-00367|4-Carbethoxyphenol|4-hidroxibenzoato de etilo|4-Hydroxybenzoate d'ethyle|4-HYDROXYBENZOESAEURE-AETHYLESTER|4-Hydroxybenzoic acid ethyl ester|Aseptin A|Aseptine A|Aseptoform E|BENZOATE, 4-HYDROXY-, ETHYL|Benzoic acid, 4-hydroxy-, ethyl ester|Benzoic acid, p-hydroxy-, ethyl ester|Bonomold OE|BRN 1101972|Carbethoxyphenol|Caswell No. 447|Easeptol|EINECS 204-399-4|EPA Pesticide Chemical Code 061202|Ester etylowykwasu p-hydroksybenzoesowego|ethyl 4-hydroxybenzoate|Ethyl Butex|Ethyl nipagin|Ethyl p-hydroxybenzoate|Ethyl p-oxybenzoate|Ethyl paraben|ETHYL PARASEPT|Ethyl-4-hydroxybenzoat|Ethylester kyseliny p-hydroxybenzoove|Mekkings E|Mycocten|Napagin A|Nipagin A|Nipazin A|NSC 23514|NSC 8510|p-(Ethoxycarbonyl)phenol|p-Carbethoxyphenol|p-Hydroxybenzoate ethyl ester|p-Hydroxybenzoic acid ethyl ester|p-Oxybenzoesaeureaethylester|Sobrol A|Solbrol A|Tegosept E|UNII-14255EXE39 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022528
ERPathway2016 ERPathway2016_251 Ethylparaben 120-47-8 DTXSID9022528 ER Pathway Model, Agonist Model Score 0.0864 Unitless CCOC(=O)C1=CC=C(O)C=C1 Ethylparaben 120-47-8|Ethylparaben|4-(Ethoxycarbonyl)phenol|4-10-00-00367|4-Carbethoxyphenol|4-hidroxibenzoato de etilo|4-Hydroxybenzoate d'ethyle|4-HYDROXYBENZOESAEURE-AETHYLESTER|4-Hydroxybenzoic acid ethyl ester|Aseptin A|Aseptine A|Aseptoform E|BENZOATE, 4-HYDROXY-, ETHYL|Benzoic acid, 4-hydroxy-, ethyl ester|Benzoic acid, p-hydroxy-, ethyl ester|Bonomold OE|BRN 1101972|Carbethoxyphenol|Caswell No. 447|Easeptol|EINECS 204-399-4|EPA Pesticide Chemical Code 061202|Ester etylowykwasu p-hydroksybenzoesowego|ethyl 4-hydroxybenzoate|Ethyl Butex|Ethyl nipagin|Ethyl p-hydroxybenzoate|Ethyl p-oxybenzoate|Ethyl paraben|ETHYL PARASEPT|Ethyl-4-hydroxybenzoat|Ethylester kyseliny p-hydroxybenzoove|Mekkings E|Mycocten|Napagin A|Nipagin A|Nipazin A|NSC 23514|NSC 8510|p-(Ethoxycarbonyl)phenol|p-Carbethoxyphenol|p-Hydroxybenzoate ethyl ester|p-Hydroxybenzoic acid ethyl ester|p-Oxybenzoesaeureaethylester|Sobrol A|Solbrol A|Tegosept E|UNII-14255EXE39 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022528
ERPathway2016 ERPathway2016_251 Ethylparaben 120-47-8 DTXSID9022528 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1=CC=C(O)C=C1 Ethylparaben 120-47-8|Ethylparaben|4-(Ethoxycarbonyl)phenol|4-10-00-00367|4-Carbethoxyphenol|4-hidroxibenzoato de etilo|4-Hydroxybenzoate d'ethyle|4-HYDROXYBENZOESAEURE-AETHYLESTER|4-Hydroxybenzoic acid ethyl ester|Aseptin A|Aseptine A|Aseptoform E|BENZOATE, 4-HYDROXY-, ETHYL|Benzoic acid, 4-hydroxy-, ethyl ester|Benzoic acid, p-hydroxy-, ethyl ester|Bonomold OE|BRN 1101972|Carbethoxyphenol|Caswell No. 447|Easeptol|EINECS 204-399-4|EPA Pesticide Chemical Code 061202|Ester etylowykwasu p-hydroksybenzoesowego|ethyl 4-hydroxybenzoate|Ethyl Butex|Ethyl nipagin|Ethyl p-hydroxybenzoate|Ethyl p-oxybenzoate|Ethyl paraben|ETHYL PARASEPT|Ethyl-4-hydroxybenzoat|Ethylester kyseliny p-hydroxybenzoove|Mekkings E|Mycocten|Napagin A|Nipagin A|Nipazin A|NSC 23514|NSC 8510|p-(Ethoxycarbonyl)phenol|p-Carbethoxyphenol|p-Hydroxybenzoate ethyl ester|p-Hydroxybenzoic acid ethyl ester|p-Oxybenzoesaeureaethylester|Sobrol A|Solbrol A|Tegosept E|UNII-14255EXE39 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022528
ERPathway2016 ERPathway2016_251 Ethylparaben 120-47-8 DTXSID9022528 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1=CC=C(O)C=C1 Ethylparaben 120-47-8|Ethylparaben|4-(Ethoxycarbonyl)phenol|4-10-00-00367|4-Carbethoxyphenol|4-hidroxibenzoato de etilo|4-Hydroxybenzoate d'ethyle|4-HYDROXYBENZOESAEURE-AETHYLESTER|4-Hydroxybenzoic acid ethyl ester|Aseptin A|Aseptine A|Aseptoform E|BENZOATE, 4-HYDROXY-, ETHYL|Benzoic acid, 4-hydroxy-, ethyl ester|Benzoic acid, p-hydroxy-, ethyl ester|Bonomold OE|BRN 1101972|Carbethoxyphenol|Caswell No. 447|Easeptol|EINECS 204-399-4|EPA Pesticide Chemical Code 061202|Ester etylowykwasu p-hydroksybenzoesowego|ethyl 4-hydroxybenzoate|Ethyl Butex|Ethyl nipagin|Ethyl p-hydroxybenzoate|Ethyl p-oxybenzoate|Ethyl paraben|ETHYL PARASEPT|Ethyl-4-hydroxybenzoat|Ethylester kyseliny p-hydroxybenzoove|Mekkings E|Mycocten|Napagin A|Nipagin A|Nipazin A|NSC 23514|NSC 8510|p-(Ethoxycarbonyl)phenol|p-Carbethoxyphenol|p-Hydroxybenzoate ethyl ester|p-Hydroxybenzoic acid ethyl ester|p-Oxybenzoesaeureaethylester|Sobrol A|Solbrol A|Tegosept E|UNII-14255EXE39 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022528
ERPathway2016 ERPathway2016_251 Ethylparaben 120-47-8 DTXSID9022528 ER Pathway Model, Antagonist Call Active Unitless CCOC(=O)C1=CC=C(O)C=C1 Ethylparaben 120-47-8|Ethylparaben|4-(Ethoxycarbonyl)phenol|4-10-00-00367|4-Carbethoxyphenol|4-hidroxibenzoato de etilo|4-Hydroxybenzoate d'ethyle|4-HYDROXYBENZOESAEURE-AETHYLESTER|4-Hydroxybenzoic acid ethyl ester|Aseptin A|Aseptine A|Aseptoform E|BENZOATE, 4-HYDROXY-, ETHYL|Benzoic acid, 4-hydroxy-, ethyl ester|Benzoic acid, p-hydroxy-, ethyl ester|Bonomold OE|BRN 1101972|Carbethoxyphenol|Caswell No. 447|Easeptol|EINECS 204-399-4|EPA Pesticide Chemical Code 061202|Ester etylowykwasu p-hydroksybenzoesowego|ethyl 4-hydroxybenzoate|Ethyl Butex|Ethyl nipagin|Ethyl p-hydroxybenzoate|Ethyl p-oxybenzoate|Ethyl paraben|ETHYL PARASEPT|Ethyl-4-hydroxybenzoat|Ethylester kyseliny p-hydroxybenzoove|Mekkings E|Mycocten|Napagin A|Nipagin A|Nipazin A|NSC 23514|NSC 8510|p-(Ethoxycarbonyl)phenol|p-Carbethoxyphenol|p-Hydroxybenzoate ethyl ester|p-Hydroxybenzoic acid ethyl ester|p-Oxybenzoesaeureaethylester|Sobrol A|Solbrol A|Tegosept E|UNII-14255EXE39 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022528
ARPathway2016 ARPathway2016_1568 Ethyltriethoxysilane 78-07-9 DTXSID7041962 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCO[Si](CC)(OCC)OCC Ethyltriethoxysilane 78-07-9|Ethyltriethoxysilane|4-04-00-04223|BRN 1362028|EINECS 201-080-1|Ethaneorthosiliconic acid, triethyl ester|NSC 5230|Silane, ethyl triethoxy A-15|Silane, triethoxyethyl-|Triethoxy-ethylsilane|Triethoxy(ethyl)silane|Union carbide A-15|1086266-62-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041962
ARPathway2016 ARPathway2016_1568 Ethyltriethoxysilane 78-07-9 DTXSID7041962 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCO[Si](CC)(OCC)OCC Ethyltriethoxysilane 78-07-9|Ethyltriethoxysilane|4-04-00-04223|BRN 1362028|EINECS 201-080-1|Ethaneorthosiliconic acid, triethyl ester|NSC 5230|Silane, ethyl triethoxy A-15|Silane, triethoxyethyl-|Triethoxy-ethylsilane|Triethoxy(ethyl)silane|Union carbide A-15|1086266-62-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041962
ARPathway2016 ARPathway2016_1568 Ethyltriethoxysilane 78-07-9 DTXSID7041962 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCO[Si](CC)(OCC)OCC Ethyltriethoxysilane 78-07-9|Ethyltriethoxysilane|4-04-00-04223|BRN 1362028|EINECS 201-080-1|Ethaneorthosiliconic acid, triethyl ester|NSC 5230|Silane, ethyl triethoxy A-15|Silane, triethoxyethyl-|Triethoxy-ethylsilane|Triethoxy(ethyl)silane|Union carbide A-15|1086266-62-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041962
ARPathway2016 ARPathway2016_1568 Ethyltriethoxysilane 78-07-9 DTXSID7041962 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCO[Si](CC)(OCC)OCC Ethyltriethoxysilane 78-07-9|Ethyltriethoxysilane|4-04-00-04223|BRN 1362028|EINECS 201-080-1|Ethaneorthosiliconic acid, triethyl ester|NSC 5230|Silane, ethyl triethoxy A-15|Silane, triethoxyethyl-|Triethoxy-ethylsilane|Triethoxy(ethyl)silane|Union carbide A-15|1086266-62-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041962
ERPathway2016 ERPathway2016_739 Ethyltriethoxysilane 78-07-9 DTXSID7041962 A9 ER Pathway Model, Agonist Model Score 0 Unitless CCO[Si](CC)(OCC)OCC Ethyltriethoxysilane 78-07-9|Ethyltriethoxysilane|4-04-00-04223|BRN 1362028|EINECS 201-080-1|Ethaneorthosiliconic acid, triethyl ester|NSC 5230|Silane, ethyl triethoxy A-15|Silane, triethoxyethyl-|Triethoxy-ethylsilane|Triethoxy(ethyl)silane|Union carbide A-15|1086266-62-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041962
ERPathway2016 ERPathway2016_739 Ethyltriethoxysilane 78-07-9 DTXSID7041962 A9 ER Pathway Model, Antagonist Model Score 0 Unitless CCO[Si](CC)(OCC)OCC Ethyltriethoxysilane 78-07-9|Ethyltriethoxysilane|4-04-00-04223|BRN 1362028|EINECS 201-080-1|Ethaneorthosiliconic acid, triethyl ester|NSC 5230|Silane, ethyl triethoxy A-15|Silane, triethoxyethyl-|Triethoxy-ethylsilane|Triethoxy(ethyl)silane|Union carbide A-15|1086266-62-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041962
ERPathway2016 ERPathway2016_739 Ethyltriethoxysilane 78-07-9 DTXSID7041962 A9 ER Pathway Model, Agonist Call Inactive Unitless CCO[Si](CC)(OCC)OCC Ethyltriethoxysilane 78-07-9|Ethyltriethoxysilane|4-04-00-04223|BRN 1362028|EINECS 201-080-1|Ethaneorthosiliconic acid, triethyl ester|NSC 5230|Silane, ethyl triethoxy A-15|Silane, triethoxyethyl-|Triethoxy-ethylsilane|Triethoxy(ethyl)silane|Union carbide A-15|1086266-62-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041962
ERPathway2016 ERPathway2016_739 Ethyltriethoxysilane 78-07-9 DTXSID7041962 A9 ER Pathway Model, Antagonist Call Inactive Unitless CCO[Si](CC)(OCC)OCC Ethyltriethoxysilane 78-07-9|Ethyltriethoxysilane|4-04-00-04223|BRN 1362028|EINECS 201-080-1|Ethaneorthosiliconic acid, triethyl ester|NSC 5230|Silane, ethyl triethoxy A-15|Silane, triethoxyethyl-|Triethoxy-ethylsilane|Triethoxy(ethyl)silane|Union carbide A-15|1086266-62-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041962
ARPathway2016 ARPathway2016_1608 Etofenprox 80844-07-1 DTXSID9032610 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC1=CC=C(C=C1)C(C)(C)COCC1=CC(OC2=CC=CC=C2)=CC=C1 Etofenprox 80844-07-1|Etofenprox|(2-(4-Ethoxyphenyl)-2-methylpropyl)-3-phenoxybenzylether|1-((2-(4-Ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy benzene|2-(4-Ethoxyphenyl)-2-methylpropyl 3-phenoxybenzyl ether|2-(4-Ethoxyphenyl)-2-methylpropyl-3-phenoxybenzyl ether|3-Phenoxybenzyl 2-(4-ethoxyphenyl)-2-methylpropyl ether|3-phenoxybenzyl-2-(4-ethoxyphenyl)-2-methylpropyl ether|4-Ethoxyneophyl 3-phenoxybenzyl ether|Benzene, 1-((2-(4-ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy-|Benzene, 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-3-phenoxy-|BRN 7047812|Ethofenprox|Ethophenprox|Ethoproxyfen|Ethoproxyphen|Etofenprox, trebon|Etofenproxum|Oxyde de 2-(4-ethoxyphenyl)-2-methylpropyle et de 3-phenoxybenzyle|UNII-0LD7P9153C https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032610
ARPathway2016 ARPathway2016_1608 Etofenprox 80844-07-1 DTXSID9032610 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC1=CC=C(C=C1)C(C)(C)COCC1=CC(OC2=CC=CC=C2)=CC=C1 Etofenprox 80844-07-1|Etofenprox|(2-(4-Ethoxyphenyl)-2-methylpropyl)-3-phenoxybenzylether|1-((2-(4-Ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy benzene|2-(4-Ethoxyphenyl)-2-methylpropyl 3-phenoxybenzyl ether|2-(4-Ethoxyphenyl)-2-methylpropyl-3-phenoxybenzyl ether|3-Phenoxybenzyl 2-(4-ethoxyphenyl)-2-methylpropyl ether|3-phenoxybenzyl-2-(4-ethoxyphenyl)-2-methylpropyl ether|4-Ethoxyneophyl 3-phenoxybenzyl ether|Benzene, 1-((2-(4-ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy-|Benzene, 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-3-phenoxy-|BRN 7047812|Ethofenprox|Ethophenprox|Ethoproxyfen|Ethoproxyphen|Etofenprox, trebon|Etofenproxum|Oxyde de 2-(4-ethoxyphenyl)-2-methylpropyle et de 3-phenoxybenzyle|UNII-0LD7P9153C https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032610
ARPathway2016 ARPathway2016_1608 Etofenprox 80844-07-1 DTXSID9032610 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC1=CC=C(C=C1)C(C)(C)COCC1=CC(OC2=CC=CC=C2)=CC=C1 Etofenprox 80844-07-1|Etofenprox|(2-(4-Ethoxyphenyl)-2-methylpropyl)-3-phenoxybenzylether|1-((2-(4-Ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy benzene|2-(4-Ethoxyphenyl)-2-methylpropyl 3-phenoxybenzyl ether|2-(4-Ethoxyphenyl)-2-methylpropyl-3-phenoxybenzyl ether|3-Phenoxybenzyl 2-(4-ethoxyphenyl)-2-methylpropyl ether|3-phenoxybenzyl-2-(4-ethoxyphenyl)-2-methylpropyl ether|4-Ethoxyneophyl 3-phenoxybenzyl ether|Benzene, 1-((2-(4-ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy-|Benzene, 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-3-phenoxy-|BRN 7047812|Ethofenprox|Ethophenprox|Ethoproxyfen|Ethoproxyphen|Etofenprox, trebon|Etofenproxum|Oxyde de 2-(4-ethoxyphenyl)-2-methylpropyle et de 3-phenoxybenzyle|UNII-0LD7P9153C https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032610
ARPathway2016 ARPathway2016_1608 Etofenprox 80844-07-1 DTXSID9032610 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC1=CC=C(C=C1)C(C)(C)COCC1=CC(OC2=CC=CC=C2)=CC=C1 Etofenprox 80844-07-1|Etofenprox|(2-(4-Ethoxyphenyl)-2-methylpropyl)-3-phenoxybenzylether|1-((2-(4-Ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy benzene|2-(4-Ethoxyphenyl)-2-methylpropyl 3-phenoxybenzyl ether|2-(4-Ethoxyphenyl)-2-methylpropyl-3-phenoxybenzyl ether|3-Phenoxybenzyl 2-(4-ethoxyphenyl)-2-methylpropyl ether|3-phenoxybenzyl-2-(4-ethoxyphenyl)-2-methylpropyl ether|4-Ethoxyneophyl 3-phenoxybenzyl ether|Benzene, 1-((2-(4-ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy-|Benzene, 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-3-phenoxy-|BRN 7047812|Ethofenprox|Ethophenprox|Ethoproxyfen|Ethoproxyphen|Etofenprox, trebon|Etofenproxum|Oxyde de 2-(4-ethoxyphenyl)-2-methylpropyle et de 3-phenoxybenzyle|UNII-0LD7P9153C https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032610
ERPathway2016 ERPathway2016_1682 Etofenprox 80844-07-1 DTXSID9032610 ER Pathway Model, Agonist Model Score 0 Unitless CCOC1=CC=C(C=C1)C(C)(C)COCC1=CC(OC2=CC=CC=C2)=CC=C1 Etofenprox 80844-07-1|Etofenprox|(2-(4-Ethoxyphenyl)-2-methylpropyl)-3-phenoxybenzylether|1-((2-(4-Ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy benzene|2-(4-Ethoxyphenyl)-2-methylpropyl 3-phenoxybenzyl ether|2-(4-Ethoxyphenyl)-2-methylpropyl-3-phenoxybenzyl ether|3-Phenoxybenzyl 2-(4-ethoxyphenyl)-2-methylpropyl ether|3-phenoxybenzyl-2-(4-ethoxyphenyl)-2-methylpropyl ether|4-Ethoxyneophyl 3-phenoxybenzyl ether|Benzene, 1-((2-(4-ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy-|Benzene, 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-3-phenoxy-|BRN 7047812|Ethofenprox|Ethophenprox|Ethoproxyfen|Ethoproxyphen|Etofenprox, trebon|Etofenproxum|Oxyde de 2-(4-ethoxyphenyl)-2-methylpropyle et de 3-phenoxybenzyle|UNII-0LD7P9153C https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032610
ERPathway2016 ERPathway2016_1682 Etofenprox 80844-07-1 DTXSID9032610 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC1=CC=C(C=C1)C(C)(C)COCC1=CC(OC2=CC=CC=C2)=CC=C1 Etofenprox 80844-07-1|Etofenprox|(2-(4-Ethoxyphenyl)-2-methylpropyl)-3-phenoxybenzylether|1-((2-(4-Ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy benzene|2-(4-Ethoxyphenyl)-2-methylpropyl 3-phenoxybenzyl ether|2-(4-Ethoxyphenyl)-2-methylpropyl-3-phenoxybenzyl ether|3-Phenoxybenzyl 2-(4-ethoxyphenyl)-2-methylpropyl ether|3-phenoxybenzyl-2-(4-ethoxyphenyl)-2-methylpropyl ether|4-Ethoxyneophyl 3-phenoxybenzyl ether|Benzene, 1-((2-(4-ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy-|Benzene, 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-3-phenoxy-|BRN 7047812|Ethofenprox|Ethophenprox|Ethoproxyfen|Ethoproxyphen|Etofenprox, trebon|Etofenproxum|Oxyde de 2-(4-ethoxyphenyl)-2-methylpropyle et de 3-phenoxybenzyle|UNII-0LD7P9153C https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032610
ERPathway2016 ERPathway2016_1682 Etofenprox 80844-07-1 DTXSID9032610 ER Pathway Model, Agonist Call Inactive Unitless CCOC1=CC=C(C=C1)C(C)(C)COCC1=CC(OC2=CC=CC=C2)=CC=C1 Etofenprox 80844-07-1|Etofenprox|(2-(4-Ethoxyphenyl)-2-methylpropyl)-3-phenoxybenzylether|1-((2-(4-Ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy benzene|2-(4-Ethoxyphenyl)-2-methylpropyl 3-phenoxybenzyl ether|2-(4-Ethoxyphenyl)-2-methylpropyl-3-phenoxybenzyl ether|3-Phenoxybenzyl 2-(4-ethoxyphenyl)-2-methylpropyl ether|3-phenoxybenzyl-2-(4-ethoxyphenyl)-2-methylpropyl ether|4-Ethoxyneophyl 3-phenoxybenzyl ether|Benzene, 1-((2-(4-ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy-|Benzene, 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-3-phenoxy-|BRN 7047812|Ethofenprox|Ethophenprox|Ethoproxyfen|Ethoproxyphen|Etofenprox, trebon|Etofenproxum|Oxyde de 2-(4-ethoxyphenyl)-2-methylpropyle et de 3-phenoxybenzyle|UNII-0LD7P9153C https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032610
ERPathway2016 ERPathway2016_1682 Etofenprox 80844-07-1 DTXSID9032610 ER Pathway Model, Antagonist Call Inactive Unitless CCOC1=CC=C(C=C1)C(C)(C)COCC1=CC(OC2=CC=CC=C2)=CC=C1 Etofenprox 80844-07-1|Etofenprox|(2-(4-Ethoxyphenyl)-2-methylpropyl)-3-phenoxybenzylether|1-((2-(4-Ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy benzene|2-(4-Ethoxyphenyl)-2-methylpropyl 3-phenoxybenzyl ether|2-(4-Ethoxyphenyl)-2-methylpropyl-3-phenoxybenzyl ether|3-Phenoxybenzyl 2-(4-ethoxyphenyl)-2-methylpropyl ether|3-phenoxybenzyl-2-(4-ethoxyphenyl)-2-methylpropyl ether|4-Ethoxyneophyl 3-phenoxybenzyl ether|Benzene, 1-((2-(4-ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy-|Benzene, 1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-3-phenoxy-|BRN 7047812|Ethofenprox|Ethophenprox|Ethoproxyfen|Ethoproxyphen|Etofenprox, trebon|Etofenproxum|Oxyde de 2-(4-ethoxyphenyl)-2-methylpropyle et de 3-phenoxybenzyle|UNII-0LD7P9153C https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032610
ARPathway2016 ARPathway2016_82 Etoxazole 153233-91-1 DTXSID8034586 FLAG: Wrong direction (Hit/No hit) 0.0 Antagonist AR Pathway Model, Agonist AC50 21.66162323 uM CCOC1=C(C=CC(=C1)C(C)(C)C)C1COC(=N1)C1=C(F)C=CC=C1F Etoxazole 153233-91-1|Etoxazole|2-(2,6-Difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydrooxazole|4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole|5-Tert-butyl-2-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenetole|Baroque|Borneo|EC No.: 604-891-2|etoxazol|Oxazole, 2-(2,6-difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-|Oxazole, 2-(2,6-difluorophenyl)-4-{4-(1,1-dimethylethyl)-2-ethoxyphenyl}-4,5-dihydro-|TetraSan|UNII-LBE5H21G6L|V-1283|YI 5301|Yimanzuo|Zeal https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034586
ARPathway2016 ARPathway2016_82 Etoxazole 153233-91-1 DTXSID8034586 FLAG: Wrong direction (Hit/No hit) 0.0 Antagonist AR Pathway Model, Agonist ACC 22.58113223 uM CCOC1=C(C=CC(=C1)C(C)(C)C)C1COC(=N1)C1=C(F)C=CC=C1F Etoxazole 153233-91-1|Etoxazole|2-(2,6-Difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydrooxazole|4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole|5-Tert-butyl-2-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenetole|Baroque|Borneo|EC No.: 604-891-2|etoxazol|Oxazole, 2-(2,6-difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-|Oxazole, 2-(2,6-difluorophenyl)-4-{4-(1,1-dimethylethyl)-2-ethoxyphenyl}-4,5-dihydro-|TetraSan|UNII-LBE5H21G6L|V-1283|YI 5301|Yimanzuo|Zeal https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034586
ARPathway2016 ARPathway2016_82 Etoxazole 153233-91-1 DTXSID8034586 FLAG: Wrong direction (Hit/No hit) 0.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0832 Unitless CCOC1=C(C=CC(=C1)C(C)(C)C)C1COC(=N1)C1=C(F)C=CC=C1F Etoxazole 153233-91-1|Etoxazole|2-(2,6-Difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydrooxazole|4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole|5-Tert-butyl-2-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenetole|Baroque|Borneo|EC No.: 604-891-2|etoxazol|Oxazole, 2-(2,6-difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-|Oxazole, 2-(2,6-difluorophenyl)-4-{4-(1,1-dimethylethyl)-2-ethoxyphenyl}-4,5-dihydro-|TetraSan|UNII-LBE5H21G6L|V-1283|YI 5301|Yimanzuo|Zeal https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034586
ARPathway2016 ARPathway2016_82 Etoxazole 153233-91-1 DTXSID8034586 FLAG: Wrong direction (Hit/No hit) 0.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCOC1=C(C=CC(=C1)C(C)(C)C)C1COC(=N1)C1=C(F)C=CC=C1F Etoxazole 153233-91-1|Etoxazole|2-(2,6-Difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydrooxazole|4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole|5-Tert-butyl-2-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenetole|Baroque|Borneo|EC No.: 604-891-2|etoxazol|Oxazole, 2-(2,6-difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-|Oxazole, 2-(2,6-difluorophenyl)-4-{4-(1,1-dimethylethyl)-2-ethoxyphenyl}-4,5-dihydro-|TetraSan|UNII-LBE5H21G6L|V-1283|YI 5301|Yimanzuo|Zeal https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034586
ARPathway2016 ARPathway2016_82 Etoxazole 153233-91-1 DTXSID8034586 FLAG: Wrong direction (Hit/No hit) 0.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCOC1=C(C=CC(=C1)C(C)(C)C)C1COC(=N1)C1=C(F)C=CC=C1F Etoxazole 153233-91-1|Etoxazole|2-(2,6-Difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydrooxazole|4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole|5-Tert-butyl-2-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenetole|Baroque|Borneo|EC No.: 604-891-2|etoxazol|Oxazole, 2-(2,6-difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-|Oxazole, 2-(2,6-difluorophenyl)-4-{4-(1,1-dimethylethyl)-2-ethoxyphenyl}-4,5-dihydro-|TetraSan|UNII-LBE5H21G6L|V-1283|YI 5301|Yimanzuo|Zeal https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034586
ARPathway2016 ARPathway2016_82 Etoxazole 153233-91-1 DTXSID8034586 FLAG: Wrong direction (Hit/No hit) 0.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCOC1=C(C=CC(=C1)C(C)(C)C)C1COC(=N1)C1=C(F)C=CC=C1F Etoxazole 153233-91-1|Etoxazole|2-(2,6-Difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydrooxazole|4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole|5-Tert-butyl-2-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenetole|Baroque|Borneo|EC No.: 604-891-2|etoxazol|Oxazole, 2-(2,6-difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-|Oxazole, 2-(2,6-difluorophenyl)-4-{4-(1,1-dimethylethyl)-2-ethoxyphenyl}-4,5-dihydro-|TetraSan|UNII-LBE5H21G6L|V-1283|YI 5301|Yimanzuo|Zeal https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034586
ERPathway2016 ERPathway2016_619 Etoxazole 153233-91-1 DTXSID8034586 ER Pathway Model, Agonist Model Score 0 Unitless CCOC1=C(C=CC(=C1)C(C)(C)C)C1COC(=N1)C1=C(F)C=CC=C1F Etoxazole 153233-91-1|Etoxazole|2-(2,6-Difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydrooxazole|4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole|5-Tert-butyl-2-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenetole|Baroque|Borneo|EC No.: 604-891-2|etoxazol|Oxazole, 2-(2,6-difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-|Oxazole, 2-(2,6-difluorophenyl)-4-{4-(1,1-dimethylethyl)-2-ethoxyphenyl}-4,5-dihydro-|TetraSan|UNII-LBE5H21G6L|V-1283|YI 5301|Yimanzuo|Zeal https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034586
ERPathway2016 ERPathway2016_619 Etoxazole 153233-91-1 DTXSID8034586 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC1=C(C=CC(=C1)C(C)(C)C)C1COC(=N1)C1=C(F)C=CC=C1F Etoxazole 153233-91-1|Etoxazole|2-(2,6-Difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydrooxazole|4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole|5-Tert-butyl-2-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenetole|Baroque|Borneo|EC No.: 604-891-2|etoxazol|Oxazole, 2-(2,6-difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-|Oxazole, 2-(2,6-difluorophenyl)-4-{4-(1,1-dimethylethyl)-2-ethoxyphenyl}-4,5-dihydro-|TetraSan|UNII-LBE5H21G6L|V-1283|YI 5301|Yimanzuo|Zeal https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034586
ERPathway2016 ERPathway2016_619 Etoxazole 153233-91-1 DTXSID8034586 ER Pathway Model, Agonist Call Inactive Unitless CCOC1=C(C=CC(=C1)C(C)(C)C)C1COC(=N1)C1=C(F)C=CC=C1F Etoxazole 153233-91-1|Etoxazole|2-(2,6-Difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydrooxazole|4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole|5-Tert-butyl-2-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenetole|Baroque|Borneo|EC No.: 604-891-2|etoxazol|Oxazole, 2-(2,6-difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-|Oxazole, 2-(2,6-difluorophenyl)-4-{4-(1,1-dimethylethyl)-2-ethoxyphenyl}-4,5-dihydro-|TetraSan|UNII-LBE5H21G6L|V-1283|YI 5301|Yimanzuo|Zeal https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034586
ERPathway2016 ERPathway2016_619 Etoxazole 153233-91-1 DTXSID8034586 ER Pathway Model, Antagonist Call Inactive Unitless CCOC1=C(C=CC(=C1)C(C)(C)C)C1COC(=N1)C1=C(F)C=CC=C1F Etoxazole 153233-91-1|Etoxazole|2-(2,6-Difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydrooxazole|4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole|5-Tert-butyl-2-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenetole|Baroque|Borneo|EC No.: 604-891-2|etoxazol|Oxazole, 2-(2,6-difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-|Oxazole, 2-(2,6-difluorophenyl)-4-{4-(1,1-dimethylethyl)-2-ethoxyphenyl}-4,5-dihydro-|TetraSan|UNII-LBE5H21G6L|V-1283|YI 5301|Yimanzuo|Zeal https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034586
ARPathway2016 ARPathway2016_1062 Etridiazole 2593-15-9 DTXSID3032547 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC1=NC(=NS1)C(Cl)(Cl)Cl Etridiazole 2593-15-9|Etridiazole|1,2,4-Thiadiazole, 5-ethoxy-3-(trichloromethyl)-|3-(Trichloromethyl)-5-ethoxy-1,2,4-thiadiazole|5-AETHOXY-3-TRICHLORMETHYL-1,2,4-THIADIAZOL|5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole|5-Ethoxy-3-trichlormethyl-1,2,4-thiadiazol|5-ethoxy-3-trichloromethyl-1,2,4-thiadiazole|5-etoxi-3-triclorometil-1,2,4-tiadiazolo|Aaterra|BRN 1074817|Caswell No. 428|Dwell|Echlomezol|Echlomezole|EINECS 219-991-8|EPA Pesticide Chemical Code 084701|Estridiazol|Estridiazole|Ethazol|Ethazole|Ethyl 3-trichloromethyl-1,2,4-thiadiazol-5-yl ether|ETMT|Koban|NSC 524929|Olin mathieson 2,424|OM 2424|Pansoil|Planvate|Sanyard|T-01|Terrachlor-super X|Terracoat|Terracoat L21|Terraflo|Terrazole|Truban|UNII-9F8237I875|1135441-30-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032547
ARPathway2016 ARPathway2016_1062 Etridiazole 2593-15-9 DTXSID3032547 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC1=NC(=NS1)C(Cl)(Cl)Cl Etridiazole 2593-15-9|Etridiazole|1,2,4-Thiadiazole, 5-ethoxy-3-(trichloromethyl)-|3-(Trichloromethyl)-5-ethoxy-1,2,4-thiadiazole|5-AETHOXY-3-TRICHLORMETHYL-1,2,4-THIADIAZOL|5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole|5-Ethoxy-3-trichlormethyl-1,2,4-thiadiazol|5-ethoxy-3-trichloromethyl-1,2,4-thiadiazole|5-etoxi-3-triclorometil-1,2,4-tiadiazolo|Aaterra|BRN 1074817|Caswell No. 428|Dwell|Echlomezol|Echlomezole|EINECS 219-991-8|EPA Pesticide Chemical Code 084701|Estridiazol|Estridiazole|Ethazol|Ethazole|Ethyl 3-trichloromethyl-1,2,4-thiadiazol-5-yl ether|ETMT|Koban|NSC 524929|Olin mathieson 2,424|OM 2424|Pansoil|Planvate|Sanyard|T-01|Terrachlor-super X|Terracoat|Terracoat L21|Terraflo|Terrazole|Truban|UNII-9F8237I875|1135441-30-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032547
ARPathway2016 ARPathway2016_1062 Etridiazole 2593-15-9 DTXSID3032547 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC1=NC(=NS1)C(Cl)(Cl)Cl Etridiazole 2593-15-9|Etridiazole|1,2,4-Thiadiazole, 5-ethoxy-3-(trichloromethyl)-|3-(Trichloromethyl)-5-ethoxy-1,2,4-thiadiazole|5-AETHOXY-3-TRICHLORMETHYL-1,2,4-THIADIAZOL|5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole|5-Ethoxy-3-trichlormethyl-1,2,4-thiadiazol|5-ethoxy-3-trichloromethyl-1,2,4-thiadiazole|5-etoxi-3-triclorometil-1,2,4-tiadiazolo|Aaterra|BRN 1074817|Caswell No. 428|Dwell|Echlomezol|Echlomezole|EINECS 219-991-8|EPA Pesticide Chemical Code 084701|Estridiazol|Estridiazole|Ethazol|Ethazole|Ethyl 3-trichloromethyl-1,2,4-thiadiazol-5-yl ether|ETMT|Koban|NSC 524929|Olin mathieson 2,424|OM 2424|Pansoil|Planvate|Sanyard|T-01|Terrachlor-super X|Terracoat|Terracoat L21|Terraflo|Terrazole|Truban|UNII-9F8237I875|1135441-30-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032547
ARPathway2016 ARPathway2016_1062 Etridiazole 2593-15-9 DTXSID3032547 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC1=NC(=NS1)C(Cl)(Cl)Cl Etridiazole 2593-15-9|Etridiazole|1,2,4-Thiadiazole, 5-ethoxy-3-(trichloromethyl)-|3-(Trichloromethyl)-5-ethoxy-1,2,4-thiadiazole|5-AETHOXY-3-TRICHLORMETHYL-1,2,4-THIADIAZOL|5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole|5-Ethoxy-3-trichlormethyl-1,2,4-thiadiazol|5-ethoxy-3-trichloromethyl-1,2,4-thiadiazole|5-etoxi-3-triclorometil-1,2,4-tiadiazolo|Aaterra|BRN 1074817|Caswell No. 428|Dwell|Echlomezol|Echlomezole|EINECS 219-991-8|EPA Pesticide Chemical Code 084701|Estridiazol|Estridiazole|Ethazol|Ethazole|Ethyl 3-trichloromethyl-1,2,4-thiadiazol-5-yl ether|ETMT|Koban|NSC 524929|Olin mathieson 2,424|OM 2424|Pansoil|Planvate|Sanyard|T-01|Terrachlor-super X|Terracoat|Terracoat L21|Terraflo|Terrazole|Truban|UNII-9F8237I875|1135441-30-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032547
ERPathway2016 ERPathway2016_1409 Etridiazole 2593-15-9 DTXSID3032547 ER Pathway Model, Agonist Model Score 0 Unitless CCOC1=NC(=NS1)C(Cl)(Cl)Cl Etridiazole 2593-15-9|Etridiazole|1,2,4-Thiadiazole, 5-ethoxy-3-(trichloromethyl)-|3-(Trichloromethyl)-5-ethoxy-1,2,4-thiadiazole|5-AETHOXY-3-TRICHLORMETHYL-1,2,4-THIADIAZOL|5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole|5-Ethoxy-3-trichlormethyl-1,2,4-thiadiazol|5-ethoxy-3-trichloromethyl-1,2,4-thiadiazole|5-etoxi-3-triclorometil-1,2,4-tiadiazolo|Aaterra|BRN 1074817|Caswell No. 428|Dwell|Echlomezol|Echlomezole|EINECS 219-991-8|EPA Pesticide Chemical Code 084701|Estridiazol|Estridiazole|Ethazol|Ethazole|Ethyl 3-trichloromethyl-1,2,4-thiadiazol-5-yl ether|ETMT|Koban|NSC 524929|Olin mathieson 2,424|OM 2424|Pansoil|Planvate|Sanyard|T-01|Terrachlor-super X|Terracoat|Terracoat L21|Terraflo|Terrazole|Truban|UNII-9F8237I875|1135441-30-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032547
ERPathway2016 ERPathway2016_1409 Etridiazole 2593-15-9 DTXSID3032547 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC1=NC(=NS1)C(Cl)(Cl)Cl Etridiazole 2593-15-9|Etridiazole|1,2,4-Thiadiazole, 5-ethoxy-3-(trichloromethyl)-|3-(Trichloromethyl)-5-ethoxy-1,2,4-thiadiazole|5-AETHOXY-3-TRICHLORMETHYL-1,2,4-THIADIAZOL|5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole|5-Ethoxy-3-trichlormethyl-1,2,4-thiadiazol|5-ethoxy-3-trichloromethyl-1,2,4-thiadiazole|5-etoxi-3-triclorometil-1,2,4-tiadiazolo|Aaterra|BRN 1074817|Caswell No. 428|Dwell|Echlomezol|Echlomezole|EINECS 219-991-8|EPA Pesticide Chemical Code 084701|Estridiazol|Estridiazole|Ethazol|Ethazole|Ethyl 3-trichloromethyl-1,2,4-thiadiazol-5-yl ether|ETMT|Koban|NSC 524929|Olin mathieson 2,424|OM 2424|Pansoil|Planvate|Sanyard|T-01|Terrachlor-super X|Terracoat|Terracoat L21|Terraflo|Terrazole|Truban|UNII-9F8237I875|1135441-30-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032547
ERPathway2016 ERPathway2016_1409 Etridiazole 2593-15-9 DTXSID3032547 ER Pathway Model, Agonist Call Inactive Unitless CCOC1=NC(=NS1)C(Cl)(Cl)Cl Etridiazole 2593-15-9|Etridiazole|1,2,4-Thiadiazole, 5-ethoxy-3-(trichloromethyl)-|3-(Trichloromethyl)-5-ethoxy-1,2,4-thiadiazole|5-AETHOXY-3-TRICHLORMETHYL-1,2,4-THIADIAZOL|5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole|5-Ethoxy-3-trichlormethyl-1,2,4-thiadiazol|5-ethoxy-3-trichloromethyl-1,2,4-thiadiazole|5-etoxi-3-triclorometil-1,2,4-tiadiazolo|Aaterra|BRN 1074817|Caswell No. 428|Dwell|Echlomezol|Echlomezole|EINECS 219-991-8|EPA Pesticide Chemical Code 084701|Estridiazol|Estridiazole|Ethazol|Ethazole|Ethyl 3-trichloromethyl-1,2,4-thiadiazol-5-yl ether|ETMT|Koban|NSC 524929|Olin mathieson 2,424|OM 2424|Pansoil|Planvate|Sanyard|T-01|Terrachlor-super X|Terracoat|Terracoat L21|Terraflo|Terrazole|Truban|UNII-9F8237I875|1135441-30-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032547
ERPathway2016 ERPathway2016_1409 Etridiazole 2593-15-9 DTXSID3032547 ER Pathway Model, Antagonist Call Inactive Unitless CCOC1=NC(=NS1)C(Cl)(Cl)Cl Etridiazole 2593-15-9|Etridiazole|1,2,4-Thiadiazole, 5-ethoxy-3-(trichloromethyl)-|3-(Trichloromethyl)-5-ethoxy-1,2,4-thiadiazole|5-AETHOXY-3-TRICHLORMETHYL-1,2,4-THIADIAZOL|5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole|5-Ethoxy-3-trichlormethyl-1,2,4-thiadiazol|5-ethoxy-3-trichloromethyl-1,2,4-thiadiazole|5-etoxi-3-triclorometil-1,2,4-tiadiazolo|Aaterra|BRN 1074817|Caswell No. 428|Dwell|Echlomezol|Echlomezole|EINECS 219-991-8|EPA Pesticide Chemical Code 084701|Estridiazol|Estridiazole|Ethazol|Ethazole|Ethyl 3-trichloromethyl-1,2,4-thiadiazol-5-yl ether|ETMT|Koban|NSC 524929|Olin mathieson 2,424|OM 2424|Pansoil|Planvate|Sanyard|T-01|Terrachlor-super X|Terracoat|Terracoat L21|Terraflo|Terrazole|Truban|UNII-9F8237I875|1135441-30-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032547
ARPathway2016 ARPathway2016_1788 Eugenol 97-53-0 DTXSID9020617 1.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=C(O)C=CC(CC=C)=C1 Eugenol 97-53-0|Eugenol|1-allyl-3-methoxy-4-hydroxybenzene|1-Allyl-4-hydroxy-3-methoxybenzene|1-Hydroxy-2-methoxy-4-allylbenzene|1-Hydroxy-2-methoxy-4-prop-2-enylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|1,3,4-Eugenol|2-Hydroxy-5-allylanisole|2-Methoxy-1-hydroxy-4-allylbenzene|2-Methoxy-4-(2-propen-1-yl)phenol|2-Methoxy-4-(2-propenyl)phenol|2-Methoxy-4-(2'-propenyl)phenol|2-Methoxy-4-(3-propenyl)phenol|2-Methoxy-4-(prop-2-en-1-yl)phenol|2-METHOXY-4-ALLYL PHENOL|2-Methoxy-4-allylphenol|2-Methoxy-4-prop-2-enylphenol|2-METHOXY-4(2-PROPENYL)PHENOL|2-Metoksy-4-allilofenol|3-(3-Methoxy-4-hydroxyphenyl)propene|3-(4-Hydroxy-3-methoxyphenyl)-1-propene|4-Allyl-1-hydroxy-2-methoxybenzene|4-ALLYL-2-METHOXY-PHENOL|4-Allyl-2-methoxyphenol|4-Allylcatechol 2-methyl ether|4-Allylcatechol-2-methyl ether|4-Allylguaiacol|4-Hydroxy-3-methoxy-1-allylbenzene|4-Hydroxy-3-methoxyallylbenzene|5-Allylguaiacol|Allylguaiacol|Bioxeda|BRN 1366759|Caryophyllic acid|Caswell No. 456BC|Dentogum|EINECS 202-589-1|Engenol|EPA Pesticide Chemical Code 102701|Eugenic a https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020617 https://doi.org/10.22427/NTP-DATA-DTXSID9020617
ARPathway2016 ARPathway2016_1788 Eugenol 97-53-0 DTXSID9020617 1.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=C(O)C=CC(CC=C)=C1 Eugenol 97-53-0|Eugenol|1-allyl-3-methoxy-4-hydroxybenzene|1-Allyl-4-hydroxy-3-methoxybenzene|1-Hydroxy-2-methoxy-4-allylbenzene|1-Hydroxy-2-methoxy-4-prop-2-enylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|1,3,4-Eugenol|2-Hydroxy-5-allylanisole|2-Methoxy-1-hydroxy-4-allylbenzene|2-Methoxy-4-(2-propen-1-yl)phenol|2-Methoxy-4-(2-propenyl)phenol|2-Methoxy-4-(2'-propenyl)phenol|2-Methoxy-4-(3-propenyl)phenol|2-Methoxy-4-(prop-2-en-1-yl)phenol|2-METHOXY-4-ALLYL PHENOL|2-Methoxy-4-allylphenol|2-Methoxy-4-prop-2-enylphenol|2-METHOXY-4(2-PROPENYL)PHENOL|2-Metoksy-4-allilofenol|3-(3-Methoxy-4-hydroxyphenyl)propene|3-(4-Hydroxy-3-methoxyphenyl)-1-propene|4-Allyl-1-hydroxy-2-methoxybenzene|4-ALLYL-2-METHOXY-PHENOL|4-Allyl-2-methoxyphenol|4-Allylcatechol 2-methyl ether|4-Allylcatechol-2-methyl ether|4-Allylguaiacol|4-Hydroxy-3-methoxy-1-allylbenzene|4-Hydroxy-3-methoxyallylbenzene|5-Allylguaiacol|Allylguaiacol|Bioxeda|BRN 1366759|Caryophyllic acid|Caswell No. 456BC|Dentogum|EINECS 202-589-1|Engenol|EPA Pesticide Chemical Code 102701|Eugenic a https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020617 https://doi.org/10.22427/NTP-DATA-DTXSID9020617
ARPathway2016 ARPathway2016_1788 Eugenol 97-53-0 DTXSID9020617 1.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=C(O)C=CC(CC=C)=C1 Eugenol 97-53-0|Eugenol|1-allyl-3-methoxy-4-hydroxybenzene|1-Allyl-4-hydroxy-3-methoxybenzene|1-Hydroxy-2-methoxy-4-allylbenzene|1-Hydroxy-2-methoxy-4-prop-2-enylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|1,3,4-Eugenol|2-Hydroxy-5-allylanisole|2-Methoxy-1-hydroxy-4-allylbenzene|2-Methoxy-4-(2-propen-1-yl)phenol|2-Methoxy-4-(2-propenyl)phenol|2-Methoxy-4-(2'-propenyl)phenol|2-Methoxy-4-(3-propenyl)phenol|2-Methoxy-4-(prop-2-en-1-yl)phenol|2-METHOXY-4-ALLYL PHENOL|2-Methoxy-4-allylphenol|2-Methoxy-4-prop-2-enylphenol|2-METHOXY-4(2-PROPENYL)PHENOL|2-Metoksy-4-allilofenol|3-(3-Methoxy-4-hydroxyphenyl)propene|3-(4-Hydroxy-3-methoxyphenyl)-1-propene|4-Allyl-1-hydroxy-2-methoxybenzene|4-ALLYL-2-METHOXY-PHENOL|4-Allyl-2-methoxyphenol|4-Allylcatechol 2-methyl ether|4-Allylcatechol-2-methyl ether|4-Allylguaiacol|4-Hydroxy-3-methoxy-1-allylbenzene|4-Hydroxy-3-methoxyallylbenzene|5-Allylguaiacol|Allylguaiacol|Bioxeda|BRN 1366759|Caryophyllic acid|Caswell No. 456BC|Dentogum|EINECS 202-589-1|Engenol|EPA Pesticide Chemical Code 102701|Eugenic a https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020617 https://doi.org/10.22427/NTP-DATA-DTXSID9020617
ARPathway2016 ARPathway2016_1788 Eugenol 97-53-0 DTXSID9020617 1.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=C(O)C=CC(CC=C)=C1 Eugenol 97-53-0|Eugenol|1-allyl-3-methoxy-4-hydroxybenzene|1-Allyl-4-hydroxy-3-methoxybenzene|1-Hydroxy-2-methoxy-4-allylbenzene|1-Hydroxy-2-methoxy-4-prop-2-enylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|1,3,4-Eugenol|2-Hydroxy-5-allylanisole|2-Methoxy-1-hydroxy-4-allylbenzene|2-Methoxy-4-(2-propen-1-yl)phenol|2-Methoxy-4-(2-propenyl)phenol|2-Methoxy-4-(2'-propenyl)phenol|2-Methoxy-4-(3-propenyl)phenol|2-Methoxy-4-(prop-2-en-1-yl)phenol|2-METHOXY-4-ALLYL PHENOL|2-Methoxy-4-allylphenol|2-Methoxy-4-prop-2-enylphenol|2-METHOXY-4(2-PROPENYL)PHENOL|2-Metoksy-4-allilofenol|3-(3-Methoxy-4-hydroxyphenyl)propene|3-(4-Hydroxy-3-methoxyphenyl)-1-propene|4-Allyl-1-hydroxy-2-methoxybenzene|4-ALLYL-2-METHOXY-PHENOL|4-Allyl-2-methoxyphenol|4-Allylcatechol 2-methyl ether|4-Allylcatechol-2-methyl ether|4-Allylguaiacol|4-Hydroxy-3-methoxy-1-allylbenzene|4-Hydroxy-3-methoxyallylbenzene|5-Allylguaiacol|Allylguaiacol|Bioxeda|BRN 1366759|Caryophyllic acid|Caswell No. 456BC|Dentogum|EINECS 202-589-1|Engenol|EPA Pesticide Chemical Code 102701|Eugenic a https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020617 https://doi.org/10.22427/NTP-DATA-DTXSID9020617
ERPathway2016 ERPathway2016_836 Eugenol 97-53-0 DTXSID9020617 ER Pathway Model, Agonist Model Score 0 Unitless COC1=C(O)C=CC(CC=C)=C1 Eugenol 97-53-0|Eugenol|1-allyl-3-methoxy-4-hydroxybenzene|1-Allyl-4-hydroxy-3-methoxybenzene|1-Hydroxy-2-methoxy-4-allylbenzene|1-Hydroxy-2-methoxy-4-prop-2-enylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|1,3,4-Eugenol|2-Hydroxy-5-allylanisole|2-Methoxy-1-hydroxy-4-allylbenzene|2-Methoxy-4-(2-propen-1-yl)phenol|2-Methoxy-4-(2-propenyl)phenol|2-Methoxy-4-(2'-propenyl)phenol|2-Methoxy-4-(3-propenyl)phenol|2-Methoxy-4-(prop-2-en-1-yl)phenol|2-METHOXY-4-ALLYL PHENOL|2-Methoxy-4-allylphenol|2-Methoxy-4-prop-2-enylphenol|2-METHOXY-4(2-PROPENYL)PHENOL|2-Metoksy-4-allilofenol|3-(3-Methoxy-4-hydroxyphenyl)propene|3-(4-Hydroxy-3-methoxyphenyl)-1-propene|4-Allyl-1-hydroxy-2-methoxybenzene|4-ALLYL-2-METHOXY-PHENOL|4-Allyl-2-methoxyphenol|4-Allylcatechol 2-methyl ether|4-Allylcatechol-2-methyl ether|4-Allylguaiacol|4-Hydroxy-3-methoxy-1-allylbenzene|4-Hydroxy-3-methoxyallylbenzene|5-Allylguaiacol|Allylguaiacol|Bioxeda|BRN 1366759|Caryophyllic acid|Caswell No. 456BC|Dentogum|EINECS 202-589-1|Engenol|EPA Pesticide Chemical Code 102701|Eugenic a https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020617 https://doi.org/10.22427/NTP-DATA-DTXSID9020617
ERPathway2016 ERPathway2016_836 Eugenol 97-53-0 DTXSID9020617 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=C(O)C=CC(CC=C)=C1 Eugenol 97-53-0|Eugenol|1-allyl-3-methoxy-4-hydroxybenzene|1-Allyl-4-hydroxy-3-methoxybenzene|1-Hydroxy-2-methoxy-4-allylbenzene|1-Hydroxy-2-methoxy-4-prop-2-enylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|1,3,4-Eugenol|2-Hydroxy-5-allylanisole|2-Methoxy-1-hydroxy-4-allylbenzene|2-Methoxy-4-(2-propen-1-yl)phenol|2-Methoxy-4-(2-propenyl)phenol|2-Methoxy-4-(2'-propenyl)phenol|2-Methoxy-4-(3-propenyl)phenol|2-Methoxy-4-(prop-2-en-1-yl)phenol|2-METHOXY-4-ALLYL PHENOL|2-Methoxy-4-allylphenol|2-Methoxy-4-prop-2-enylphenol|2-METHOXY-4(2-PROPENYL)PHENOL|2-Metoksy-4-allilofenol|3-(3-Methoxy-4-hydroxyphenyl)propene|3-(4-Hydroxy-3-methoxyphenyl)-1-propene|4-Allyl-1-hydroxy-2-methoxybenzene|4-ALLYL-2-METHOXY-PHENOL|4-Allyl-2-methoxyphenol|4-Allylcatechol 2-methyl ether|4-Allylcatechol-2-methyl ether|4-Allylguaiacol|4-Hydroxy-3-methoxy-1-allylbenzene|4-Hydroxy-3-methoxyallylbenzene|5-Allylguaiacol|Allylguaiacol|Bioxeda|BRN 1366759|Caryophyllic acid|Caswell No. 456BC|Dentogum|EINECS 202-589-1|Engenol|EPA Pesticide Chemical Code 102701|Eugenic a https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020617 https://doi.org/10.22427/NTP-DATA-DTXSID9020617
ERPathway2016 ERPathway2016_836 Eugenol 97-53-0 DTXSID9020617 ER Pathway Model, Agonist Call Inactive Unitless COC1=C(O)C=CC(CC=C)=C1 Eugenol 97-53-0|Eugenol|1-allyl-3-methoxy-4-hydroxybenzene|1-Allyl-4-hydroxy-3-methoxybenzene|1-Hydroxy-2-methoxy-4-allylbenzene|1-Hydroxy-2-methoxy-4-prop-2-enylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|1,3,4-Eugenol|2-Hydroxy-5-allylanisole|2-Methoxy-1-hydroxy-4-allylbenzene|2-Methoxy-4-(2-propen-1-yl)phenol|2-Methoxy-4-(2-propenyl)phenol|2-Methoxy-4-(2'-propenyl)phenol|2-Methoxy-4-(3-propenyl)phenol|2-Methoxy-4-(prop-2-en-1-yl)phenol|2-METHOXY-4-ALLYL PHENOL|2-Methoxy-4-allylphenol|2-Methoxy-4-prop-2-enylphenol|2-METHOXY-4(2-PROPENYL)PHENOL|2-Metoksy-4-allilofenol|3-(3-Methoxy-4-hydroxyphenyl)propene|3-(4-Hydroxy-3-methoxyphenyl)-1-propene|4-Allyl-1-hydroxy-2-methoxybenzene|4-ALLYL-2-METHOXY-PHENOL|4-Allyl-2-methoxyphenol|4-Allylcatechol 2-methyl ether|4-Allylcatechol-2-methyl ether|4-Allylguaiacol|4-Hydroxy-3-methoxy-1-allylbenzene|4-Hydroxy-3-methoxyallylbenzene|5-Allylguaiacol|Allylguaiacol|Bioxeda|BRN 1366759|Caryophyllic acid|Caswell No. 456BC|Dentogum|EINECS 202-589-1|Engenol|EPA Pesticide Chemical Code 102701|Eugenic a https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020617 https://doi.org/10.22427/NTP-DATA-DTXSID9020617
ERPathway2016 ERPathway2016_836 Eugenol 97-53-0 DTXSID9020617 ER Pathway Model, Antagonist Call Inactive Unitless COC1=C(O)C=CC(CC=C)=C1 Eugenol 97-53-0|Eugenol|1-allyl-3-methoxy-4-hydroxybenzene|1-Allyl-4-hydroxy-3-methoxybenzene|1-Hydroxy-2-methoxy-4-allylbenzene|1-Hydroxy-2-methoxy-4-prop-2-enylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|1,3,4-Eugenol|2-Hydroxy-5-allylanisole|2-Methoxy-1-hydroxy-4-allylbenzene|2-Methoxy-4-(2-propen-1-yl)phenol|2-Methoxy-4-(2-propenyl)phenol|2-Methoxy-4-(2'-propenyl)phenol|2-Methoxy-4-(3-propenyl)phenol|2-Methoxy-4-(prop-2-en-1-yl)phenol|2-METHOXY-4-ALLYL PHENOL|2-Methoxy-4-allylphenol|2-Methoxy-4-prop-2-enylphenol|2-METHOXY-4(2-PROPENYL)PHENOL|2-Metoksy-4-allilofenol|3-(3-Methoxy-4-hydroxyphenyl)propene|3-(4-Hydroxy-3-methoxyphenyl)-1-propene|4-Allyl-1-hydroxy-2-methoxybenzene|4-ALLYL-2-METHOXY-PHENOL|4-Allyl-2-methoxyphenol|4-Allylcatechol 2-methyl ether|4-Allylcatechol-2-methyl ether|4-Allylguaiacol|4-Hydroxy-3-methoxy-1-allylbenzene|4-Hydroxy-3-methoxyallylbenzene|5-Allylguaiacol|Allylguaiacol|Bioxeda|BRN 1366759|Caryophyllic acid|Caswell No. 456BC|Dentogum|EINECS 202-589-1|Engenol|EPA Pesticide Chemical Code 102701|Eugenic a https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020617 https://doi.org/10.22427/NTP-DATA-DTXSID9020617
ARPathway2016 ARPathway2016_49 Fabesetron hydrochloride 129299-90-7 DTXSID7048168 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 55.6342778217589 uM Cl.CC1=C(C[C@H]2CCC3=C(C)C4=C(C=CC=C4)N3C2=O)N=CN1 Fabesetron hydrochloride 129299-90-7|Fabesetron hydrochloride|( )-10-Methyl-7-(5-methyl-1H-imidazol-4-ylmethyl)-6,7,8,9-tetrahydropyrido(1,2-a)indol-6-one hydrochloride|FR121052|UNII-DIU098C1O7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7048168
ARPathway2016 ARPathway2016_49 Fabesetron hydrochloride 129299-90-7 DTXSID7048168 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 41.244890590895 uM Cl.CC1=C(C[C@H]2CCC3=C(C)C4=C(C=CC=C4)N3C2=O)N=CN1 Fabesetron hydrochloride 129299-90-7|Fabesetron hydrochloride|( )-10-Methyl-7-(5-methyl-1H-imidazol-4-ylmethyl)-6,7,8,9-tetrahydropyrido(1,2-a)indol-6-one hydrochloride|FR121052|UNII-DIU098C1O7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7048168
ARPathway2016 ARPathway2016_49 Fabesetron hydrochloride 129299-90-7 DTXSID7048168 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.116 Unitless Cl.CC1=C(C[C@H]2CCC3=C(C)C4=C(C=CC=C4)N3C2=O)N=CN1 Fabesetron hydrochloride 129299-90-7|Fabesetron hydrochloride|( )-10-Methyl-7-(5-methyl-1H-imidazol-4-ylmethyl)-6,7,8,9-tetrahydropyrido(1,2-a)indol-6-one hydrochloride|FR121052|UNII-DIU098C1O7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7048168
ARPathway2016 ARPathway2016_49 Fabesetron hydrochloride 129299-90-7 DTXSID7048168 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless Cl.CC1=C(C[C@H]2CCC3=C(C)C4=C(C=CC=C4)N3C2=O)N=CN1 Fabesetron hydrochloride 129299-90-7|Fabesetron hydrochloride|( )-10-Methyl-7-(5-methyl-1H-imidazol-4-ylmethyl)-6,7,8,9-tetrahydropyrido(1,2-a)indol-6-one hydrochloride|FR121052|UNII-DIU098C1O7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7048168
ARPathway2016 ARPathway2016_49 Fabesetron hydrochloride 129299-90-7 DTXSID7048168 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Cl.CC1=C(C[C@H]2CCC3=C(C)C4=C(C=CC=C4)N3C2=O)N=CN1 Fabesetron hydrochloride 129299-90-7|Fabesetron hydrochloride|( )-10-Methyl-7-(5-methyl-1H-imidazol-4-ylmethyl)-6,7,8,9-tetrahydropyrido(1,2-a)indol-6-one hydrochloride|FR121052|UNII-DIU098C1O7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7048168
ARPathway2016 ARPathway2016_49 Fabesetron hydrochloride 129299-90-7 DTXSID7048168 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Cl.CC1=C(C[C@H]2CCC3=C(C)C4=C(C=CC=C4)N3C2=O)N=CN1 Fabesetron hydrochloride 129299-90-7|Fabesetron hydrochloride|( )-10-Methyl-7-(5-methyl-1H-imidazol-4-ylmethyl)-6,7,8,9-tetrahydropyrido(1,2-a)indol-6-one hydrochloride|FR121052|UNII-DIU098C1O7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7048168
ARPathway2016 ARPathway2016_780 Famoxadone 131807-57-3 DTXSID8034588 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CC1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1 Famoxadone 131807-57-3|Famoxadone|2,4-Oxazolidinedione, 5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-|3-Anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione|5-Methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-2,4-oxazolidinedione|DPX-JE 874|DPX-JE874|Famoxate|UNII-V1C07OR6II|1135442-66-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034588
ARPathway2016 ARPathway2016_780 Famoxadone 131807-57-3 DTXSID8034588 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless CC1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1 Famoxadone 131807-57-3|Famoxadone|2,4-Oxazolidinedione, 5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-|3-Anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione|5-Methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-2,4-oxazolidinedione|DPX-JE 874|DPX-JE874|Famoxate|UNII-V1C07OR6II|1135442-66-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034588
ARPathway2016 ARPathway2016_780 Famoxadone 131807-57-3 DTXSID8034588 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1 Famoxadone 131807-57-3|Famoxadone|2,4-Oxazolidinedione, 5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-|3-Anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione|5-Methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-2,4-oxazolidinedione|DPX-JE 874|DPX-JE874|Famoxate|UNII-V1C07OR6II|1135442-66-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034588
ARPathway2016 ARPathway2016_780 Famoxadone 131807-57-3 DTXSID8034588 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CC1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1 Famoxadone 131807-57-3|Famoxadone|2,4-Oxazolidinedione, 5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-|3-Anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione|5-Methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-2,4-oxazolidinedione|DPX-JE 874|DPX-JE874|Famoxate|UNII-V1C07OR6II|1135442-66-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034588
ERPathway2016 ERPathway2016_551 Famoxadone 131807-57-3 DTXSID8034588 R9 ER Pathway Model, Agonist Model Score 0 Unitless CC1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1 Famoxadone 131807-57-3|Famoxadone|2,4-Oxazolidinedione, 5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-|3-Anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione|5-Methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-2,4-oxazolidinedione|DPX-JE 874|DPX-JE874|Famoxate|UNII-V1C07OR6II|1135442-66-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034588
ERPathway2016 ERPathway2016_551 Famoxadone 131807-57-3 DTXSID8034588 R9 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1 Famoxadone 131807-57-3|Famoxadone|2,4-Oxazolidinedione, 5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-|3-Anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione|5-Methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-2,4-oxazolidinedione|DPX-JE 874|DPX-JE874|Famoxate|UNII-V1C07OR6II|1135442-66-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034588
ERPathway2016 ERPathway2016_551 Famoxadone 131807-57-3 DTXSID8034588 R9 ER Pathway Model, Agonist Call Inactive Unitless CC1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1 Famoxadone 131807-57-3|Famoxadone|2,4-Oxazolidinedione, 5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-|3-Anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione|5-Methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-2,4-oxazolidinedione|DPX-JE 874|DPX-JE874|Famoxate|UNII-V1C07OR6II|1135442-66-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034588
ERPathway2016 ERPathway2016_551 Famoxadone 131807-57-3 DTXSID8034588 R9 ER Pathway Model, Antagonist Call Inactive Unitless CC1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1 Famoxadone 131807-57-3|Famoxadone|2,4-Oxazolidinedione, 5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-|3-Anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione|5-Methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-2,4-oxazolidinedione|DPX-JE 874|DPX-JE874|Famoxate|UNII-V1C07OR6II|1135442-66-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034588
ARPathway2016 ARPathway2016_111 Fandosentan potassium salt 221246-12-4 DTXSID5047249 2.0 Antagonist AR Pathway Model, Agonist AC50 28.12146677 uM [K+].CCC1=CC(=CC2=C1OCO2)C1=C(N(C2=CC=CC=C2C(F)(F)F)S(=O)(=O)C2=C1C=CC=C2)C([O-])=O Fandosentan potassium salt 221246-12-4|Fandosentan potassium salt|Fandosentan potassium|PD 180988-0016|UNII-14U0D2SA4K|318295-68-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047249
ARPathway2016 ARPathway2016_111 Fandosentan potassium salt 221246-12-4 DTXSID5047249 2.0 Antagonist AR Pathway Model, Agonist ACC 21.69011977 uM [K+].CCC1=CC(=CC2=C1OCO2)C1=C(N(C2=CC=CC=C2C(F)(F)F)S(=O)(=O)C2=C1C=CC=C2)C([O-])=O Fandosentan potassium salt 221246-12-4|Fandosentan potassium salt|Fandosentan potassium|PD 180988-0016|UNII-14U0D2SA4K|318295-68-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047249
ARPathway2016 ARPathway2016_111 Fandosentan potassium salt 221246-12-4 DTXSID5047249 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.115 Unitless [K+].CCC1=CC(=CC2=C1OCO2)C1=C(N(C2=CC=CC=C2C(F)(F)F)S(=O)(=O)C2=C1C=CC=C2)C([O-])=O Fandosentan potassium salt 221246-12-4|Fandosentan potassium salt|Fandosentan potassium|PD 180988-0016|UNII-14U0D2SA4K|318295-68-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047249
ARPathway2016 ARPathway2016_111 Fandosentan potassium salt 221246-12-4 DTXSID5047249 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [K+].CCC1=CC(=CC2=C1OCO2)C1=C(N(C2=CC=CC=C2C(F)(F)F)S(=O)(=O)C2=C1C=CC=C2)C([O-])=O Fandosentan potassium salt 221246-12-4|Fandosentan potassium salt|Fandosentan potassium|PD 180988-0016|UNII-14U0D2SA4K|318295-68-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047249
ARPathway2016 ARPathway2016_111 Fandosentan potassium salt 221246-12-4 DTXSID5047249 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [K+].CCC1=CC(=CC2=C1OCO2)C1=C(N(C2=CC=CC=C2C(F)(F)F)S(=O)(=O)C2=C1C=CC=C2)C([O-])=O Fandosentan potassium salt 221246-12-4|Fandosentan potassium salt|Fandosentan potassium|PD 180988-0016|UNII-14U0D2SA4K|318295-68-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047249
ARPathway2016 ARPathway2016_111 Fandosentan potassium salt 221246-12-4 DTXSID5047249 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [K+].CCC1=CC(=CC2=C1OCO2)C1=C(N(C2=CC=CC=C2C(F)(F)F)S(=O)(=O)C2=C1C=CC=C2)C([O-])=O Fandosentan potassium salt 221246-12-4|Fandosentan potassium salt|Fandosentan potassium|PD 180988-0016|UNII-14U0D2SA4K|318295-68-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047249
ERPathway2016 ERPathway2016_675 Fandosentan potassium salt 221246-12-4 DTXSID5047249 ER Pathway Model, Agonist Model Score 0 Unitless [K+].CCC1=CC(=CC2=C1OCO2)C1=C(N(C2=CC=CC=C2C(F)(F)F)S(=O)(=O)C2=C1C=CC=C2)C([O-])=O Fandosentan potassium salt 221246-12-4|Fandosentan potassium salt|Fandosentan potassium|PD 180988-0016|UNII-14U0D2SA4K|318295-68-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047249
ERPathway2016 ERPathway2016_675 Fandosentan potassium salt 221246-12-4 DTXSID5047249 ER Pathway Model, Antagonist Model Score 0 Unitless [K+].CCC1=CC(=CC2=C1OCO2)C1=C(N(C2=CC=CC=C2C(F)(F)F)S(=O)(=O)C2=C1C=CC=C2)C([O-])=O Fandosentan potassium salt 221246-12-4|Fandosentan potassium salt|Fandosentan potassium|PD 180988-0016|UNII-14U0D2SA4K|318295-68-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047249
ERPathway2016 ERPathway2016_675 Fandosentan potassium salt 221246-12-4 DTXSID5047249 ER Pathway Model, Agonist Call Inactive Unitless [K+].CCC1=CC(=CC2=C1OCO2)C1=C(N(C2=CC=CC=C2C(F)(F)F)S(=O)(=O)C2=C1C=CC=C2)C([O-])=O Fandosentan potassium salt 221246-12-4|Fandosentan potassium salt|Fandosentan potassium|PD 180988-0016|UNII-14U0D2SA4K|318295-68-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047249
ERPathway2016 ERPathway2016_675 Fandosentan potassium salt 221246-12-4 DTXSID5047249 ER Pathway Model, Antagonist Call Inactive Unitless [K+].CCC1=CC(=CC2=C1OCO2)C1=C(N(C2=CC=CC=C2C(F)(F)F)S(=O)(=O)C2=C1C=CC=C2)C([O-])=O Fandosentan potassium salt 221246-12-4|Fandosentan potassium salt|Fandosentan potassium|PD 180988-0016|UNII-14U0D2SA4K|318295-68-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047249
ARPathway2016 ARPathway2016_104 Farglitazar 196808-45-4 DTXSID1047310 2.0 Antagonist AR Pathway Model, Agonist AC50 26.5154834629045 uM CC1=C(CCOC2=CC=C(C[C@H](NC3=C(C=CC=C3)C(=O)C3=CC=CC=C3)C(O)=O)C=C2)N=C(O1)C1=CC=CC=C1 Farglitazar 196808-45-4|Farglitazar|UNII-3433GY7132 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047310
ARPathway2016 ARPathway2016_104 Farglitazar 196808-45-4 DTXSID1047310 2.0 Antagonist AR Pathway Model, Agonist ACC 29.7752431 uM CC1=C(CCOC2=CC=C(C[C@H](NC3=C(C=CC=C3)C(=O)C3=CC=CC=C3)C(O)=O)C=C2)N=C(O1)C1=CC=CC=C1 Farglitazar 196808-45-4|Farglitazar|UNII-3433GY7132 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047310
ARPathway2016 ARPathway2016_104 Farglitazar 196808-45-4 DTXSID1047310 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.206 Unitless CC1=C(CCOC2=CC=C(C[C@H](NC3=C(C=CC=C3)C(=O)C3=CC=CC=C3)C(O)=O)C=C2)N=C(O1)C1=CC=CC=C1 Farglitazar 196808-45-4|Farglitazar|UNII-3433GY7132 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047310
ARPathway2016 ARPathway2016_104 Farglitazar 196808-45-4 DTXSID1047310 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(CCOC2=CC=C(C[C@H](NC3=C(C=CC=C3)C(=O)C3=CC=CC=C3)C(O)=O)C=C2)N=C(O1)C1=CC=CC=C1 Farglitazar 196808-45-4|Farglitazar|UNII-3433GY7132 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047310
ARPathway2016 ARPathway2016_104 Farglitazar 196808-45-4 DTXSID1047310 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC1=C(CCOC2=CC=C(C[C@H](NC3=C(C=CC=C3)C(=O)C3=CC=CC=C3)C(O)=O)C=C2)N=C(O1)C1=CC=CC=C1 Farglitazar 196808-45-4|Farglitazar|UNII-3433GY7132 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047310
ARPathway2016 ARPathway2016_104 Farglitazar 196808-45-4 DTXSID1047310 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(CCOC2=CC=C(C[C@H](NC3=C(C=CC=C3)C(=O)C3=CC=CC=C3)C(O)=O)C=C2)N=C(O1)C1=CC=CC=C1 Farglitazar 196808-45-4|Farglitazar|UNII-3433GY7132 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047310
ERPathway2016 ERPathway2016_628 Farglitazar 196808-45-4 DTXSID1047310 A13 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(CCOC2=CC=C(C[C@H](NC3=C(C=CC=C3)C(=O)C3=CC=CC=C3)C(O)=O)C=C2)N=C(O1)C1=CC=CC=C1 Farglitazar 196808-45-4|Farglitazar|UNII-3433GY7132 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047310
ERPathway2016 ERPathway2016_628 Farglitazar 196808-45-4 DTXSID1047310 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(CCOC2=CC=C(C[C@H](NC3=C(C=CC=C3)C(=O)C3=CC=CC=C3)C(O)=O)C=C2)N=C(O1)C1=CC=CC=C1 Farglitazar 196808-45-4|Farglitazar|UNII-3433GY7132 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047310
ERPathway2016 ERPathway2016_628 Farglitazar 196808-45-4 DTXSID1047310 A13 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(CCOC2=CC=C(C[C@H](NC3=C(C=CC=C3)C(=O)C3=CC=CC=C3)C(O)=O)C=C2)N=C(O1)C1=CC=CC=C1 Farglitazar 196808-45-4|Farglitazar|UNII-3433GY7132 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047310
ERPathway2016 ERPathway2016_628 Farglitazar 196808-45-4 DTXSID1047310 A13 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(CCOC2=CC=C(C[C@H](NC3=C(C=CC=C3)C(=O)C3=CC=CC=C3)C(O)=O)C=C2)N=C(O1)C1=CC=CC=C1 Farglitazar 196808-45-4|Farglitazar|UNII-3433GY7132 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047310
ARPathway2016 ARPathway2016_179 Farnesol 4602-84-0 DTXSID3032389 2.0 A10 AR Pathway Model, Agonist AC50 82.29832096 uM CC(C)=CCCC(C)=CCCC(C)=CCO Farnesol 4602-84-0|Farnesol|2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-|225-004-1|3,7,11-Trimethyl-2,6,10-dodecen-1-ol|3,7,11-Trimethyldodeca-2,6,10-trien-1-ol|E.C. No.: 225-004-1|EINECS 225-004-1|Farnesyl alcohol|FCI 119a|FEMA No. 2478|Nikkosome|NSC 60597|P.C. Code 128911|PC Code 128911|UNII-EB41QIU6JL https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032389
ARPathway2016 ARPathway2016_179 Farnesol 4602-84-0 DTXSID3032389 2.0 A10 AR Pathway Model, Agonist ACC 69.24006543 uM CC(C)=CCCC(C)=CCCC(C)=CCO Farnesol 4602-84-0|Farnesol|2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-|225-004-1|3,7,11-Trimethyl-2,6,10-dodecen-1-ol|3,7,11-Trimethyldodeca-2,6,10-trien-1-ol|E.C. No.: 225-004-1|EINECS 225-004-1|Farnesyl alcohol|FCI 119a|FEMA No. 2478|Nikkosome|NSC 60597|P.C. Code 128911|PC Code 128911|UNII-EB41QIU6JL https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032389
ARPathway2016 ARPathway2016_179 Farnesol 4602-84-0 DTXSID3032389 2.0 A10 AR Pathway Model, Antagonist Model Score 0.0413 Unitless CC(C)=CCCC(C)=CCCC(C)=CCO Farnesol 4602-84-0|Farnesol|2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-|225-004-1|3,7,11-Trimethyl-2,6,10-dodecen-1-ol|3,7,11-Trimethyldodeca-2,6,10-trien-1-ol|E.C. No.: 225-004-1|EINECS 225-004-1|Farnesyl alcohol|FCI 119a|FEMA No. 2478|Nikkosome|NSC 60597|P.C. Code 128911|PC Code 128911|UNII-EB41QIU6JL https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032389
ARPathway2016 ARPathway2016_179 Farnesol 4602-84-0 DTXSID3032389 2.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(C)=CCCC(C)=CCO Farnesol 4602-84-0|Farnesol|2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-|225-004-1|3,7,11-Trimethyl-2,6,10-dodecen-1-ol|3,7,11-Trimethyldodeca-2,6,10-trien-1-ol|E.C. No.: 225-004-1|EINECS 225-004-1|Farnesyl alcohol|FCI 119a|FEMA No. 2478|Nikkosome|NSC 60597|P.C. Code 128911|PC Code 128911|UNII-EB41QIU6JL https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032389
ARPathway2016 ARPathway2016_179 Farnesol 4602-84-0 DTXSID3032389 2.0 A10 AR Pathway Model, Agonist Call Active Unitless CC(C)=CCCC(C)=CCCC(C)=CCO Farnesol 4602-84-0|Farnesol|2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-|225-004-1|3,7,11-Trimethyl-2,6,10-dodecen-1-ol|3,7,11-Trimethyldodeca-2,6,10-trien-1-ol|E.C. No.: 225-004-1|EINECS 225-004-1|Farnesyl alcohol|FCI 119a|FEMA No. 2478|Nikkosome|NSC 60597|P.C. Code 128911|PC Code 128911|UNII-EB41QIU6JL https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032389
ARPathway2016 ARPathway2016_179 Farnesol 4602-84-0 DTXSID3032389 2.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(C)=CCCC(C)=CCO Farnesol 4602-84-0|Farnesol|2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-|225-004-1|3,7,11-Trimethyl-2,6,10-dodecen-1-ol|3,7,11-Trimethyldodeca-2,6,10-trien-1-ol|E.C. No.: 225-004-1|EINECS 225-004-1|Farnesyl alcohol|FCI 119a|FEMA No. 2478|Nikkosome|NSC 60597|P.C. Code 128911|PC Code 128911|UNII-EB41QIU6JL https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032389
ERPathway2016 ERPathway2016_361 Farnesol 4602-84-0 DTXSID3032389 ER Pathway Model, Antagonist AC50 23.3014235771792 uM CC(C)=CCCC(C)=CCCC(C)=CCO Farnesol 4602-84-0|Farnesol|2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-|225-004-1|3,7,11-Trimethyl-2,6,10-dodecen-1-ol|3,7,11-Trimethyldodeca-2,6,10-trien-1-ol|E.C. No.: 225-004-1|EINECS 225-004-1|Farnesyl alcohol|FCI 119a|FEMA No. 2478|Nikkosome|NSC 60597|P.C. Code 128911|PC Code 128911|UNII-EB41QIU6JL https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032389
ERPathway2016 ERPathway2016_361 Farnesol 4602-84-0 DTXSID3032389 ER Pathway Model, Antagonist ACC 25.1957181337932 uM CC(C)=CCCC(C)=CCCC(C)=CCO Farnesol 4602-84-0|Farnesol|2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-|225-004-1|3,7,11-Trimethyl-2,6,10-dodecen-1-ol|3,7,11-Trimethyldodeca-2,6,10-trien-1-ol|E.C. No.: 225-004-1|EINECS 225-004-1|Farnesyl alcohol|FCI 119a|FEMA No. 2478|Nikkosome|NSC 60597|P.C. Code 128911|PC Code 128911|UNII-EB41QIU6JL https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032389
ERPathway2016 ERPathway2016_361 Farnesol 4602-84-0 DTXSID3032389 ER Pathway Model, Agonist Model Score 0.0162 Unitless CC(C)=CCCC(C)=CCCC(C)=CCO Farnesol 4602-84-0|Farnesol|2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-|225-004-1|3,7,11-Trimethyl-2,6,10-dodecen-1-ol|3,7,11-Trimethyldodeca-2,6,10-trien-1-ol|E.C. No.: 225-004-1|EINECS 225-004-1|Farnesyl alcohol|FCI 119a|FEMA No. 2478|Nikkosome|NSC 60597|P.C. Code 128911|PC Code 128911|UNII-EB41QIU6JL https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032389
ERPathway2016 ERPathway2016_361 Farnesol 4602-84-0 DTXSID3032389 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(C)=CCCC(C)=CCO Farnesol 4602-84-0|Farnesol|2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-|225-004-1|3,7,11-Trimethyl-2,6,10-dodecen-1-ol|3,7,11-Trimethyldodeca-2,6,10-trien-1-ol|E.C. No.: 225-004-1|EINECS 225-004-1|Farnesyl alcohol|FCI 119a|FEMA No. 2478|Nikkosome|NSC 60597|P.C. Code 128911|PC Code 128911|UNII-EB41QIU6JL https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032389
ERPathway2016 ERPathway2016_361 Farnesol 4602-84-0 DTXSID3032389 ER Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(C)=CCCC(C)=CCO Farnesol 4602-84-0|Farnesol|2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-|225-004-1|3,7,11-Trimethyl-2,6,10-dodecen-1-ol|3,7,11-Trimethyldodeca-2,6,10-trien-1-ol|E.C. No.: 225-004-1|EINECS 225-004-1|Farnesyl alcohol|FCI 119a|FEMA No. 2478|Nikkosome|NSC 60597|P.C. Code 128911|PC Code 128911|UNII-EB41QIU6JL https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032389
ERPathway2016 ERPathway2016_361 Farnesol 4602-84-0 DTXSID3032389 ER Pathway Model, Antagonist Call Active Unitless CC(C)=CCCC(C)=CCCC(C)=CCO Farnesol 4602-84-0|Farnesol|2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-|225-004-1|3,7,11-Trimethyl-2,6,10-dodecen-1-ol|3,7,11-Trimethyldodeca-2,6,10-trien-1-ol|E.C. No.: 225-004-1|EINECS 225-004-1|Farnesyl alcohol|FCI 119a|FEMA No. 2478|Nikkosome|NSC 60597|P.C. Code 128911|PC Code 128911|UNII-EB41QIU6JL https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032389
ARPathway2016 ARPathway2016_1626 Fartox 82-68-8 DTXSID2021105 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless [O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Fartox 82-68-8|Fartox|1,2,3,4,5-Pentachloro-6-nitrobenzene|1,2,3,4,5-Pentachloronitrobenzene|101 brand pcnb 75 Wettable|2,3,4,5,6-Pentachloronitrobenzene|Avicol (pesticide)|Avicol, pesticide|Batrilex|Benzene, 1,2,3,4,5-pentachloro-6-nitro-|Benzene, nitropentachloro-|Benzene, pentachloronitro-|Botrilex|Brassicol|Brassicol 75|Brassicol Super|BRN 1914324|Caswell No. 640|Chinozan|Earthcide|EINECS 201-435-0|EPA Pesticide Chemical Code 056502|Folosan|Fomac 2|Fungiclor|GC 3944-3-4|Gustafson Terraclor 80% Dust Concentrate|Kobutol|Korsikol|Liro-PCNB|Marisan forte|NCI-C00419|Nitropentachlorobenzene|NSC 58427|Olin Terraclor 75% Wettable Powder|Olin Terraclor 90% Dust Concentrate|Olin Terraclor Technical Grade PCNB 99% Soil Fungicide|PCNB|Pcnb Technical Material for Manufacturing Purposes Only|Pentachlornitrobenzol|Pentachloro-nitrobenzene|Pentachloronitrobenzene|Pentachloronitrobenzol|Pentagen|Phomasan|PKhNC|Plantacol|Quinosan|Quintocene|quintoceno|Quintozen|Quintozene|Quintozene [pentachloronitrobenzene]|RCRA waste number U185|RTU 1010|RTU |1135443-48-9|39378-26-2|55353-34-9|56573-57-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021105 https://doi.org/10.22427/NTP-DATA-DTXSID2021105
ARPathway2016 ARPathway2016_1626 Fartox 82-68-8 DTXSID2021105 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Fartox 82-68-8|Fartox|1,2,3,4,5-Pentachloro-6-nitrobenzene|1,2,3,4,5-Pentachloronitrobenzene|101 brand pcnb 75 Wettable|2,3,4,5,6-Pentachloronitrobenzene|Avicol (pesticide)|Avicol, pesticide|Batrilex|Benzene, 1,2,3,4,5-pentachloro-6-nitro-|Benzene, nitropentachloro-|Benzene, pentachloronitro-|Botrilex|Brassicol|Brassicol 75|Brassicol Super|BRN 1914324|Caswell No. 640|Chinozan|Earthcide|EINECS 201-435-0|EPA Pesticide Chemical Code 056502|Folosan|Fomac 2|Fungiclor|GC 3944-3-4|Gustafson Terraclor 80% Dust Concentrate|Kobutol|Korsikol|Liro-PCNB|Marisan forte|NCI-C00419|Nitropentachlorobenzene|NSC 58427|Olin Terraclor 75% Wettable Powder|Olin Terraclor 90% Dust Concentrate|Olin Terraclor Technical Grade PCNB 99% Soil Fungicide|PCNB|Pcnb Technical Material for Manufacturing Purposes Only|Pentachlornitrobenzol|Pentachloro-nitrobenzene|Pentachloronitrobenzene|Pentachloronitrobenzol|Pentagen|Phomasan|PKhNC|Plantacol|Quinosan|Quintocene|quintoceno|Quintozen|Quintozene|Quintozene [pentachloronitrobenzene]|RCRA waste number U185|RTU 1010|RTU |1135443-48-9|39378-26-2|55353-34-9|56573-57-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021105 https://doi.org/10.22427/NTP-DATA-DTXSID2021105
ARPathway2016 ARPathway2016_1626 Fartox 82-68-8 DTXSID2021105 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Agonist Call Inactive Unitless [O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Fartox 82-68-8|Fartox|1,2,3,4,5-Pentachloro-6-nitrobenzene|1,2,3,4,5-Pentachloronitrobenzene|101 brand pcnb 75 Wettable|2,3,4,5,6-Pentachloronitrobenzene|Avicol (pesticide)|Avicol, pesticide|Batrilex|Benzene, 1,2,3,4,5-pentachloro-6-nitro-|Benzene, nitropentachloro-|Benzene, pentachloronitro-|Botrilex|Brassicol|Brassicol 75|Brassicol Super|BRN 1914324|Caswell No. 640|Chinozan|Earthcide|EINECS 201-435-0|EPA Pesticide Chemical Code 056502|Folosan|Fomac 2|Fungiclor|GC 3944-3-4|Gustafson Terraclor 80% Dust Concentrate|Kobutol|Korsikol|Liro-PCNB|Marisan forte|NCI-C00419|Nitropentachlorobenzene|NSC 58427|Olin Terraclor 75% Wettable Powder|Olin Terraclor 90% Dust Concentrate|Olin Terraclor Technical Grade PCNB 99% Soil Fungicide|PCNB|Pcnb Technical Material for Manufacturing Purposes Only|Pentachlornitrobenzol|Pentachloro-nitrobenzene|Pentachloronitrobenzene|Pentachloronitrobenzol|Pentagen|Phomasan|PKhNC|Plantacol|Quinosan|Quintocene|quintoceno|Quintozen|Quintozene|Quintozene [pentachloronitrobenzene]|RCRA waste number U185|RTU 1010|RTU |1135443-48-9|39378-26-2|55353-34-9|56573-57-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021105 https://doi.org/10.22427/NTP-DATA-DTXSID2021105
ARPathway2016 ARPathway2016_1626 Fartox 82-68-8 DTXSID2021105 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Fartox 82-68-8|Fartox|1,2,3,4,5-Pentachloro-6-nitrobenzene|1,2,3,4,5-Pentachloronitrobenzene|101 brand pcnb 75 Wettable|2,3,4,5,6-Pentachloronitrobenzene|Avicol (pesticide)|Avicol, pesticide|Batrilex|Benzene, 1,2,3,4,5-pentachloro-6-nitro-|Benzene, nitropentachloro-|Benzene, pentachloronitro-|Botrilex|Brassicol|Brassicol 75|Brassicol Super|BRN 1914324|Caswell No. 640|Chinozan|Earthcide|EINECS 201-435-0|EPA Pesticide Chemical Code 056502|Folosan|Fomac 2|Fungiclor|GC 3944-3-4|Gustafson Terraclor 80% Dust Concentrate|Kobutol|Korsikol|Liro-PCNB|Marisan forte|NCI-C00419|Nitropentachlorobenzene|NSC 58427|Olin Terraclor 75% Wettable Powder|Olin Terraclor 90% Dust Concentrate|Olin Terraclor Technical Grade PCNB 99% Soil Fungicide|PCNB|Pcnb Technical Material for Manufacturing Purposes Only|Pentachlornitrobenzol|Pentachloro-nitrobenzene|Pentachloronitrobenzene|Pentachloronitrobenzol|Pentagen|Phomasan|PKhNC|Plantacol|Quinosan|Quintocene|quintoceno|Quintozen|Quintozene|Quintozene [pentachloronitrobenzene]|RCRA waste number U185|RTU 1010|RTU |1135443-48-9|39378-26-2|55353-34-9|56573-57-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021105 https://doi.org/10.22427/NTP-DATA-DTXSID2021105
ERPathway2016 ERPathway2016_461 Fartox 82-68-8 DTXSID2021105 ER Pathway Model, Antagonist AC50 51.2089021683537 uM [O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Fartox 82-68-8|Fartox|1,2,3,4,5-Pentachloro-6-nitrobenzene|1,2,3,4,5-Pentachloronitrobenzene|101 brand pcnb 75 Wettable|2,3,4,5,6-Pentachloronitrobenzene|Avicol (pesticide)|Avicol, pesticide|Batrilex|Benzene, 1,2,3,4,5-pentachloro-6-nitro-|Benzene, nitropentachloro-|Benzene, pentachloronitro-|Botrilex|Brassicol|Brassicol 75|Brassicol Super|BRN 1914324|Caswell No. 640|Chinozan|Earthcide|EINECS 201-435-0|EPA Pesticide Chemical Code 056502|Folosan|Fomac 2|Fungiclor|GC 3944-3-4|Gustafson Terraclor 80% Dust Concentrate|Kobutol|Korsikol|Liro-PCNB|Marisan forte|NCI-C00419|Nitropentachlorobenzene|NSC 58427|Olin Terraclor 75% Wettable Powder|Olin Terraclor 90% Dust Concentrate|Olin Terraclor Technical Grade PCNB 99% Soil Fungicide|PCNB|Pcnb Technical Material for Manufacturing Purposes Only|Pentachlornitrobenzol|Pentachloro-nitrobenzene|Pentachloronitrobenzene|Pentachloronitrobenzol|Pentagen|Phomasan|PKhNC|Plantacol|Quinosan|Quintocene|quintoceno|Quintozen|Quintozene|Quintozene [pentachloronitrobenzene]|RCRA waste number U185|RTU 1010|RTU |1135443-48-9|39378-26-2|55353-34-9|56573-57-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021105 https://doi.org/10.22427/NTP-DATA-DTXSID2021105
ERPathway2016 ERPathway2016_461 Fartox 82-68-8 DTXSID2021105 ER Pathway Model, Antagonist ACC 43.4538404077672 uM [O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Fartox 82-68-8|Fartox|1,2,3,4,5-Pentachloro-6-nitrobenzene|1,2,3,4,5-Pentachloronitrobenzene|101 brand pcnb 75 Wettable|2,3,4,5,6-Pentachloronitrobenzene|Avicol (pesticide)|Avicol, pesticide|Batrilex|Benzene, 1,2,3,4,5-pentachloro-6-nitro-|Benzene, nitropentachloro-|Benzene, pentachloronitro-|Botrilex|Brassicol|Brassicol 75|Brassicol Super|BRN 1914324|Caswell No. 640|Chinozan|Earthcide|EINECS 201-435-0|EPA Pesticide Chemical Code 056502|Folosan|Fomac 2|Fungiclor|GC 3944-3-4|Gustafson Terraclor 80% Dust Concentrate|Kobutol|Korsikol|Liro-PCNB|Marisan forte|NCI-C00419|Nitropentachlorobenzene|NSC 58427|Olin Terraclor 75% Wettable Powder|Olin Terraclor 90% Dust Concentrate|Olin Terraclor Technical Grade PCNB 99% Soil Fungicide|PCNB|Pcnb Technical Material for Manufacturing Purposes Only|Pentachlornitrobenzol|Pentachloro-nitrobenzene|Pentachloronitrobenzene|Pentachloronitrobenzol|Pentagen|Phomasan|PKhNC|Plantacol|Quinosan|Quintocene|quintoceno|Quintozen|Quintozene|Quintozene [pentachloronitrobenzene]|RCRA waste number U185|RTU 1010|RTU |1135443-48-9|39378-26-2|55353-34-9|56573-57-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021105 https://doi.org/10.22427/NTP-DATA-DTXSID2021105
ERPathway2016 ERPathway2016_461 Fartox 82-68-8 DTXSID2021105 ER Pathway Model, Agonist Model Score 0.00362 Unitless [O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Fartox 82-68-8|Fartox|1,2,3,4,5-Pentachloro-6-nitrobenzene|1,2,3,4,5-Pentachloronitrobenzene|101 brand pcnb 75 Wettable|2,3,4,5,6-Pentachloronitrobenzene|Avicol (pesticide)|Avicol, pesticide|Batrilex|Benzene, 1,2,3,4,5-pentachloro-6-nitro-|Benzene, nitropentachloro-|Benzene, pentachloronitro-|Botrilex|Brassicol|Brassicol 75|Brassicol Super|BRN 1914324|Caswell No. 640|Chinozan|Earthcide|EINECS 201-435-0|EPA Pesticide Chemical Code 056502|Folosan|Fomac 2|Fungiclor|GC 3944-3-4|Gustafson Terraclor 80% Dust Concentrate|Kobutol|Korsikol|Liro-PCNB|Marisan forte|NCI-C00419|Nitropentachlorobenzene|NSC 58427|Olin Terraclor 75% Wettable Powder|Olin Terraclor 90% Dust Concentrate|Olin Terraclor Technical Grade PCNB 99% Soil Fungicide|PCNB|Pcnb Technical Material for Manufacturing Purposes Only|Pentachlornitrobenzol|Pentachloro-nitrobenzene|Pentachloronitrobenzene|Pentachloronitrobenzol|Pentagen|Phomasan|PKhNC|Plantacol|Quinosan|Quintocene|quintoceno|Quintozen|Quintozene|Quintozene [pentachloronitrobenzene]|RCRA waste number U185|RTU 1010|RTU |1135443-48-9|39378-26-2|55353-34-9|56573-57-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021105 https://doi.org/10.22427/NTP-DATA-DTXSID2021105
ERPathway2016 ERPathway2016_461 Fartox 82-68-8 DTXSID2021105 ER Pathway Model, Antagonist Model Score 0 Unitless [O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Fartox 82-68-8|Fartox|1,2,3,4,5-Pentachloro-6-nitrobenzene|1,2,3,4,5-Pentachloronitrobenzene|101 brand pcnb 75 Wettable|2,3,4,5,6-Pentachloronitrobenzene|Avicol (pesticide)|Avicol, pesticide|Batrilex|Benzene, 1,2,3,4,5-pentachloro-6-nitro-|Benzene, nitropentachloro-|Benzene, pentachloronitro-|Botrilex|Brassicol|Brassicol 75|Brassicol Super|BRN 1914324|Caswell No. 640|Chinozan|Earthcide|EINECS 201-435-0|EPA Pesticide Chemical Code 056502|Folosan|Fomac 2|Fungiclor|GC 3944-3-4|Gustafson Terraclor 80% Dust Concentrate|Kobutol|Korsikol|Liro-PCNB|Marisan forte|NCI-C00419|Nitropentachlorobenzene|NSC 58427|Olin Terraclor 75% Wettable Powder|Olin Terraclor 90% Dust Concentrate|Olin Terraclor Technical Grade PCNB 99% Soil Fungicide|PCNB|Pcnb Technical Material for Manufacturing Purposes Only|Pentachlornitrobenzol|Pentachloro-nitrobenzene|Pentachloronitrobenzene|Pentachloronitrobenzol|Pentagen|Phomasan|PKhNC|Plantacol|Quinosan|Quintocene|quintoceno|Quintozen|Quintozene|Quintozene [pentachloronitrobenzene]|RCRA waste number U185|RTU 1010|RTU |1135443-48-9|39378-26-2|55353-34-9|56573-57-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021105 https://doi.org/10.22427/NTP-DATA-DTXSID2021105
ERPathway2016 ERPathway2016_461 Fartox 82-68-8 DTXSID2021105 ER Pathway Model, Agonist Call Inactive Unitless [O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Fartox 82-68-8|Fartox|1,2,3,4,5-Pentachloro-6-nitrobenzene|1,2,3,4,5-Pentachloronitrobenzene|101 brand pcnb 75 Wettable|2,3,4,5,6-Pentachloronitrobenzene|Avicol (pesticide)|Avicol, pesticide|Batrilex|Benzene, 1,2,3,4,5-pentachloro-6-nitro-|Benzene, nitropentachloro-|Benzene, pentachloronitro-|Botrilex|Brassicol|Brassicol 75|Brassicol Super|BRN 1914324|Caswell No. 640|Chinozan|Earthcide|EINECS 201-435-0|EPA Pesticide Chemical Code 056502|Folosan|Fomac 2|Fungiclor|GC 3944-3-4|Gustafson Terraclor 80% Dust Concentrate|Kobutol|Korsikol|Liro-PCNB|Marisan forte|NCI-C00419|Nitropentachlorobenzene|NSC 58427|Olin Terraclor 75% Wettable Powder|Olin Terraclor 90% Dust Concentrate|Olin Terraclor Technical Grade PCNB 99% Soil Fungicide|PCNB|Pcnb Technical Material for Manufacturing Purposes Only|Pentachlornitrobenzol|Pentachloro-nitrobenzene|Pentachloronitrobenzene|Pentachloronitrobenzol|Pentagen|Phomasan|PKhNC|Plantacol|Quinosan|Quintocene|quintoceno|Quintozen|Quintozene|Quintozene [pentachloronitrobenzene]|RCRA waste number U185|RTU 1010|RTU |1135443-48-9|39378-26-2|55353-34-9|56573-57-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021105 https://doi.org/10.22427/NTP-DATA-DTXSID2021105
ERPathway2016 ERPathway2016_461 Fartox 82-68-8 DTXSID2021105 ER Pathway Model, Antagonist Call Active Unitless [O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Fartox 82-68-8|Fartox|1,2,3,4,5-Pentachloro-6-nitrobenzene|1,2,3,4,5-Pentachloronitrobenzene|101 brand pcnb 75 Wettable|2,3,4,5,6-Pentachloronitrobenzene|Avicol (pesticide)|Avicol, pesticide|Batrilex|Benzene, 1,2,3,4,5-pentachloro-6-nitro-|Benzene, nitropentachloro-|Benzene, pentachloronitro-|Botrilex|Brassicol|Brassicol 75|Brassicol Super|BRN 1914324|Caswell No. 640|Chinozan|Earthcide|EINECS 201-435-0|EPA Pesticide Chemical Code 056502|Folosan|Fomac 2|Fungiclor|GC 3944-3-4|Gustafson Terraclor 80% Dust Concentrate|Kobutol|Korsikol|Liro-PCNB|Marisan forte|NCI-C00419|Nitropentachlorobenzene|NSC 58427|Olin Terraclor 75% Wettable Powder|Olin Terraclor 90% Dust Concentrate|Olin Terraclor Technical Grade PCNB 99% Soil Fungicide|PCNB|Pcnb Technical Material for Manufacturing Purposes Only|Pentachlornitrobenzol|Pentachloro-nitrobenzene|Pentachloronitrobenzene|Pentachloronitrobenzol|Pentagen|Phomasan|PKhNC|Plantacol|Quinosan|Quintocene|quintoceno|Quintozen|Quintozene|Quintozene [pentachloronitrobenzene]|RCRA waste number U185|RTU 1010|RTU |1135443-48-9|39378-26-2|55353-34-9|56573-57-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021105 https://doi.org/10.22427/NTP-DATA-DTXSID2021105
ARPathway2016 ARPathway2016_167 FD&C Blue No. 1 3844-45-9 DTXSID2020189 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 12.7924374761623 uM [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=CC=C1)S([O-])(=O)=O FD&C Blue No. 1 3844-45-9|FD&C Blue No. 1|Aizen Food Blue No. 2|Benzenemethaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene-3-sulfo]-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-,inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohex|1314116-65-8|145087-80-5|1848225-75-1|511534-53-5|70992-30-2|73319-02-5|82526-32-7|83155-13-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020189
ARPathway2016 ARPathway2016_167 FD&C Blue No. 1 3844-45-9 DTXSID2020189 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 15.17033901 uM [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=CC=C1)S([O-])(=O)=O FD&C Blue No. 1 3844-45-9|FD&C Blue No. 1|Aizen Food Blue No. 2|Benzenemethaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene-3-sulfo]-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-,inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohex|1314116-65-8|145087-80-5|1848225-75-1|511534-53-5|70992-30-2|73319-02-5|82526-32-7|83155-13-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020189
ARPathway2016 ARPathway2016_167 FD&C Blue No. 1 3844-45-9 DTXSID2020189 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.107 Unitless [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=CC=C1)S([O-])(=O)=O FD&C Blue No. 1 3844-45-9|FD&C Blue No. 1|Aizen Food Blue No. 2|Benzenemethaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene-3-sulfo]-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-,inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohex|1314116-65-8|145087-80-5|1848225-75-1|511534-53-5|70992-30-2|73319-02-5|82526-32-7|83155-13-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020189
ARPathway2016 ARPathway2016_167 FD&C Blue No. 1 3844-45-9 DTXSID2020189 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=CC=C1)S([O-])(=O)=O FD&C Blue No. 1 3844-45-9|FD&C Blue No. 1|Aizen Food Blue No. 2|Benzenemethaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene-3-sulfo]-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-,inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohex|1314116-65-8|145087-80-5|1848225-75-1|511534-53-5|70992-30-2|73319-02-5|82526-32-7|83155-13-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020189
ARPathway2016 ARPathway2016_167 FD&C Blue No. 1 3844-45-9 DTXSID2020189 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=CC=C1)S([O-])(=O)=O FD&C Blue No. 1 3844-45-9|FD&C Blue No. 1|Aizen Food Blue No. 2|Benzenemethaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene-3-sulfo]-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-,inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohex|1314116-65-8|145087-80-5|1848225-75-1|511534-53-5|70992-30-2|73319-02-5|82526-32-7|83155-13-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020189
ARPathway2016 ARPathway2016_167 FD&C Blue No. 1 3844-45-9 DTXSID2020189 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=CC=C1)S([O-])(=O)=O FD&C Blue No. 1 3844-45-9|FD&C Blue No. 1|Aizen Food Blue No. 2|Benzenemethaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene-3-sulfo]-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-,inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohex|1314116-65-8|145087-80-5|1848225-75-1|511534-53-5|70992-30-2|73319-02-5|82526-32-7|83155-13-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020189
ERPathway2016 ERPathway2016_607 FD&C Blue No. 1 3844-45-9 DTXSID2020189 A18 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=CC=C1)S([O-])(=O)=O FD&C Blue No. 1 3844-45-9|FD&C Blue No. 1|Aizen Food Blue No. 2|Benzenemethaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene-3-sulfo]-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-,inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohex|1314116-65-8|145087-80-5|1848225-75-1|511534-53-5|70992-30-2|73319-02-5|82526-32-7|83155-13-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020189
ERPathway2016 ERPathway2016_607 FD&C Blue No. 1 3844-45-9 DTXSID2020189 A18 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=CC=C1)S([O-])(=O)=O FD&C Blue No. 1 3844-45-9|FD&C Blue No. 1|Aizen Food Blue No. 2|Benzenemethaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene-3-sulfo]-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-,inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohex|1314116-65-8|145087-80-5|1848225-75-1|511534-53-5|70992-30-2|73319-02-5|82526-32-7|83155-13-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020189
ERPathway2016 ERPathway2016_607 FD&C Blue No. 1 3844-45-9 DTXSID2020189 A18 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=CC=C1)S([O-])(=O)=O FD&C Blue No. 1 3844-45-9|FD&C Blue No. 1|Aizen Food Blue No. 2|Benzenemethaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene-3-sulfo]-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-,inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohex|1314116-65-8|145087-80-5|1848225-75-1|511534-53-5|70992-30-2|73319-02-5|82526-32-7|83155-13-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020189
ERPathway2016 ERPathway2016_607 FD&C Blue No. 1 3844-45-9 DTXSID2020189 A18 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=CC=C1)S([O-])(=O)=O FD&C Blue No. 1 3844-45-9|FD&C Blue No. 1|Aizen Food Blue No. 2|Benzenemethaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene-3-sulfo]-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-,inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohex|1314116-65-8|145087-80-5|1848225-75-1|511534-53-5|70992-30-2|73319-02-5|82526-32-7|83155-13-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020189
ARPathway2016 ARPathway2016_121 FD&C Green No. 3 2353-45-9 DTXSID3020673 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 11.86188925 uM [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=C(O)C=C1)S([O-])(=O)=O FD&C Green No. 3 2353-45-9|FD&C Green No. 3|Aizen Food Green No. 3|Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-C|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenylmethyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo, hydroxide, inner salt, disodium salt|C.I. 42053|C.I. food green 003|C.I. Food Green 3|C.I. Food Green 3, disodium salt|dihidrogeno(etil)[4-[4-[etil(3-sulfonatobenc|13083-10-8|977011-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020673
ARPathway2016 ARPathway2016_121 FD&C Green No. 3 2353-45-9 DTXSID3020673 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 7.982783792 uM [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=C(O)C=C1)S([O-])(=O)=O FD&C Green No. 3 2353-45-9|FD&C Green No. 3|Aizen Food Green No. 3|Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-C|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenylmethyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo, hydroxide, inner salt, disodium salt|C.I. 42053|C.I. food green 003|C.I. Food Green 3|C.I. Food Green 3, disodium salt|dihidrogeno(etil)[4-[4-[etil(3-sulfonatobenc|13083-10-8|977011-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020673
ARPathway2016 ARPathway2016_121 FD&C Green No. 3 2353-45-9 DTXSID3020673 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.209 Unitless [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=C(O)C=C1)S([O-])(=O)=O FD&C Green No. 3 2353-45-9|FD&C Green No. 3|Aizen Food Green No. 3|Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-C|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenylmethyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo, hydroxide, inner salt, disodium salt|C.I. 42053|C.I. food green 003|C.I. Food Green 3|C.I. Food Green 3, disodium salt|dihidrogeno(etil)[4-[4-[etil(3-sulfonatobenc|13083-10-8|977011-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020673
ARPathway2016 ARPathway2016_121 FD&C Green No. 3 2353-45-9 DTXSID3020673 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=C(O)C=C1)S([O-])(=O)=O FD&C Green No. 3 2353-45-9|FD&C Green No. 3|Aizen Food Green No. 3|Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-C|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenylmethyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo, hydroxide, inner salt, disodium salt|C.I. 42053|C.I. food green 003|C.I. Food Green 3|C.I. Food Green 3, disodium salt|dihidrogeno(etil)[4-[4-[etil(3-sulfonatobenc|13083-10-8|977011-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020673
ARPathway2016 ARPathway2016_121 FD&C Green No. 3 2353-45-9 DTXSID3020673 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=C(O)C=C1)S([O-])(=O)=O FD&C Green No. 3 2353-45-9|FD&C Green No. 3|Aizen Food Green No. 3|Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-C|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenylmethyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo, hydroxide, inner salt, disodium salt|C.I. 42053|C.I. food green 003|C.I. Food Green 3|C.I. Food Green 3, disodium salt|dihidrogeno(etil)[4-[4-[etil(3-sulfonatobenc|13083-10-8|977011-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020673
ARPathway2016 ARPathway2016_121 FD&C Green No. 3 2353-45-9 DTXSID3020673 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=C(O)C=C1)S([O-])(=O)=O FD&C Green No. 3 2353-45-9|FD&C Green No. 3|Aizen Food Green No. 3|Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-C|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenylmethyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo, hydroxide, inner salt, disodium salt|C.I. 42053|C.I. food green 003|C.I. Food Green 3|C.I. Food Green 3, disodium salt|dihidrogeno(etil)[4-[4-[etil(3-sulfonatobenc|13083-10-8|977011-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020673
ERPathway2016 ERPathway2016_613 FD&C Green No. 3 2353-45-9 DTXSID3020673 A18 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=C(O)C=C1)S([O-])(=O)=O FD&C Green No. 3 2353-45-9|FD&C Green No. 3|Aizen Food Green No. 3|Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-C|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenylmethyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo, hydroxide, inner salt, disodium salt|C.I. 42053|C.I. food green 003|C.I. Food Green 3|C.I. Food Green 3, disodium salt|dihidrogeno(etil)[4-[4-[etil(3-sulfonatobenc|13083-10-8|977011-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020673
ERPathway2016 ERPathway2016_613 FD&C Green No. 3 2353-45-9 DTXSID3020673 A18 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=C(O)C=C1)S([O-])(=O)=O FD&C Green No. 3 2353-45-9|FD&C Green No. 3|Aizen Food Green No. 3|Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-C|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenylmethyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo, hydroxide, inner salt, disodium salt|C.I. 42053|C.I. food green 003|C.I. Food Green 3|C.I. Food Green 3, disodium salt|dihidrogeno(etil)[4-[4-[etil(3-sulfonatobenc|13083-10-8|977011-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020673
ERPathway2016 ERPathway2016_613 FD&C Green No. 3 2353-45-9 DTXSID3020673 A18 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=C(O)C=C1)S([O-])(=O)=O FD&C Green No. 3 2353-45-9|FD&C Green No. 3|Aizen Food Green No. 3|Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-C|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenylmethyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo, hydroxide, inner salt, disodium salt|C.I. 42053|C.I. food green 003|C.I. Food Green 3|C.I. Food Green 3, disodium salt|dihidrogeno(etil)[4-[4-[etil(3-sulfonatobenc|13083-10-8|977011-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020673
ERPathway2016 ERPathway2016_613 FD&C Green No. 3 2353-45-9 DTXSID3020673 A18 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O)C1=C(C=C(O)C=C1)S([O-])(=O)=O FD&C Green No. 3 2353-45-9|FD&C Green No. 3|Aizen Food Green No. 3|Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(4-hydroxy-2-sulfophenyl)methylene)-2,5-C|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenylmethyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo, hydroxide, inner salt, disodium salt|C.I. 42053|C.I. food green 003|C.I. Food Green 3|C.I. Food Green 3, disodium salt|dihidrogeno(etil)[4-[4-[etil(3-sulfonatobenc|13083-10-8|977011-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020673
ARPathway2016 ARPathway2016_919 FD&C Red 3 16423-68-0 DTXSID7021233 True antagonist shift (No hit/Hit) 2.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].[O-]C1=C(I)C2=C(C=C1I)C1(OC(=O)C3=CC=CC=C13)C1=C(O2)C(I)=C([O-])C(I)=C1 FD&C Red 3 16423-68-0|FD&C Red 3|1427 Red|1671 Red|2-(2,4,5,7-tetraiodo-6-oxido-3-oxoxanten-9-il)benzoato de disodio|2-(2,4,5,7-Tetraiodo-6-oxydo-3-oxoxanthen-9-yl)benzoate de disodium|2-(2,4,5,7-tetraiodo-6-oxydo-3-oxoxanthene-9-yl)benzoate de disodium|2,4,5,7-Tetraiodofluorescein disodium salt|2,4,5,7-Tetraiodofluorescein, disodium salt|2',4',5',7'-Tetraiodofluorescein disodium salt|2',4',5',7'-Tetraiodofluoroescein disodium salt|3',6-Dihydroxy-2',4',5',7'-tetraiodospiro(isobenzofuran-1(3H),9'(9H)xanthen)-one disodium salt|3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one disodium salt|9-(o-Carboxyphenyl)-6-hydroxy-2,4,5,7-tetraiodo-3H-xanthene-3-one disodium salt monohydrate|Acid Red 51|Aizen Erythrosine|Aizen Food Red 3|Basovit Red 425E|C.I. 45430|C.I. Acid Red 51|C.I. ACID RED 51,|C.I. ACID RED 51, (ERYTHROSIN B)|C.I. Food Red 14|C.L. Acid Red 51|Calcocid Erythrosine N|Canacert Erythrosine BS|Caswell No. 425AB|Ceplac|Cerven kysela 51|Cerven potravinarska 14|Cilefa Pink B|Cogilor Red 312.10|D and C Red |111634-12-9|1342-20-7|1342-21-8|1342-28-5|145361-15-5|16904-63-5|198832-03-0|27540-70-1|658700-90-4|72027-96-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021233
ARPathway2016 ARPathway2016_919 FD&C Red 3 16423-68-0 DTXSID7021233 True antagonist shift (No hit/Hit) 2.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].[O-]C1=C(I)C2=C(C=C1I)C1(OC(=O)C3=CC=CC=C13)C1=C(O2)C(I)=C([O-])C(I)=C1 FD&C Red 3 16423-68-0|FD&C Red 3|1427 Red|1671 Red|2-(2,4,5,7-tetraiodo-6-oxido-3-oxoxanten-9-il)benzoato de disodio|2-(2,4,5,7-Tetraiodo-6-oxydo-3-oxoxanthen-9-yl)benzoate de disodium|2-(2,4,5,7-tetraiodo-6-oxydo-3-oxoxanthene-9-yl)benzoate de disodium|2,4,5,7-Tetraiodofluorescein disodium salt|2,4,5,7-Tetraiodofluorescein, disodium salt|2',4',5',7'-Tetraiodofluorescein disodium salt|2',4',5',7'-Tetraiodofluoroescein disodium salt|3',6-Dihydroxy-2',4',5',7'-tetraiodospiro(isobenzofuran-1(3H),9'(9H)xanthen)-one disodium salt|3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one disodium salt|9-(o-Carboxyphenyl)-6-hydroxy-2,4,5,7-tetraiodo-3H-xanthene-3-one disodium salt monohydrate|Acid Red 51|Aizen Erythrosine|Aizen Food Red 3|Basovit Red 425E|C.I. 45430|C.I. Acid Red 51|C.I. ACID RED 51,|C.I. ACID RED 51, (ERYTHROSIN B)|C.I. Food Red 14|C.L. Acid Red 51|Calcocid Erythrosine N|Canacert Erythrosine BS|Caswell No. 425AB|Ceplac|Cerven kysela 51|Cerven potravinarska 14|Cilefa Pink B|Cogilor Red 312.10|D and C Red |111634-12-9|1342-20-7|1342-21-8|1342-28-5|145361-15-5|16904-63-5|198832-03-0|27540-70-1|658700-90-4|72027-96-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021233
ARPathway2016 ARPathway2016_919 FD&C Red 3 16423-68-0 DTXSID7021233 True antagonist shift (No hit/Hit) 2.0 A3 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].[O-]C1=C(I)C2=C(C=C1I)C1(OC(=O)C3=CC=CC=C13)C1=C(O2)C(I)=C([O-])C(I)=C1 FD&C Red 3 16423-68-0|FD&C Red 3|1427 Red|1671 Red|2-(2,4,5,7-tetraiodo-6-oxido-3-oxoxanten-9-il)benzoato de disodio|2-(2,4,5,7-Tetraiodo-6-oxydo-3-oxoxanthen-9-yl)benzoate de disodium|2-(2,4,5,7-tetraiodo-6-oxydo-3-oxoxanthene-9-yl)benzoate de disodium|2,4,5,7-Tetraiodofluorescein disodium salt|2,4,5,7-Tetraiodofluorescein, disodium salt|2',4',5',7'-Tetraiodofluorescein disodium salt|2',4',5',7'-Tetraiodofluoroescein disodium salt|3',6-Dihydroxy-2',4',5',7'-tetraiodospiro(isobenzofuran-1(3H),9'(9H)xanthen)-one disodium salt|3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one disodium salt|9-(o-Carboxyphenyl)-6-hydroxy-2,4,5,7-tetraiodo-3H-xanthene-3-one disodium salt monohydrate|Acid Red 51|Aizen Erythrosine|Aizen Food Red 3|Basovit Red 425E|C.I. 45430|C.I. Acid Red 51|C.I. ACID RED 51,|C.I. ACID RED 51, (ERYTHROSIN B)|C.I. Food Red 14|C.L. Acid Red 51|Calcocid Erythrosine N|Canacert Erythrosine BS|Caswell No. 425AB|Ceplac|Cerven kysela 51|Cerven potravinarska 14|Cilefa Pink B|Cogilor Red 312.10|D and C Red |111634-12-9|1342-20-7|1342-21-8|1342-28-5|145361-15-5|16904-63-5|198832-03-0|27540-70-1|658700-90-4|72027-96-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021233
ARPathway2016 ARPathway2016_919 FD&C Red 3 16423-68-0 DTXSID7021233 True antagonist shift (No hit/Hit) 2.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].[O-]C1=C(I)C2=C(C=C1I)C1(OC(=O)C3=CC=CC=C13)C1=C(O2)C(I)=C([O-])C(I)=C1 FD&C Red 3 16423-68-0|FD&C Red 3|1427 Red|1671 Red|2-(2,4,5,7-tetraiodo-6-oxido-3-oxoxanten-9-il)benzoato de disodio|2-(2,4,5,7-Tetraiodo-6-oxydo-3-oxoxanthen-9-yl)benzoate de disodium|2-(2,4,5,7-tetraiodo-6-oxydo-3-oxoxanthene-9-yl)benzoate de disodium|2,4,5,7-Tetraiodofluorescein disodium salt|2,4,5,7-Tetraiodofluorescein, disodium salt|2',4',5',7'-Tetraiodofluorescein disodium salt|2',4',5',7'-Tetraiodofluoroescein disodium salt|3',6-Dihydroxy-2',4',5',7'-tetraiodospiro(isobenzofuran-1(3H),9'(9H)xanthen)-one disodium salt|3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one disodium salt|9-(o-Carboxyphenyl)-6-hydroxy-2,4,5,7-tetraiodo-3H-xanthene-3-one disodium salt monohydrate|Acid Red 51|Aizen Erythrosine|Aizen Food Red 3|Basovit Red 425E|C.I. 45430|C.I. Acid Red 51|C.I. ACID RED 51,|C.I. ACID RED 51, (ERYTHROSIN B)|C.I. Food Red 14|C.L. Acid Red 51|Calcocid Erythrosine N|Canacert Erythrosine BS|Caswell No. 425AB|Ceplac|Cerven kysela 51|Cerven potravinarska 14|Cilefa Pink B|Cogilor Red 312.10|D and C Red |111634-12-9|1342-20-7|1342-21-8|1342-28-5|145361-15-5|16904-63-5|198832-03-0|27540-70-1|658700-90-4|72027-96-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021233
ERPathway2016 ERPathway2016_1009 FD&C Red 3 16423-68-0 DTXSID7021233 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].[O-]C1=C(I)C2=C(C=C1I)C1(OC(=O)C3=CC=CC=C13)C1=C(O2)C(I)=C([O-])C(I)=C1 FD&C Red 3 16423-68-0|FD&C Red 3|1427 Red|1671 Red|2-(2,4,5,7-tetraiodo-6-oxido-3-oxoxanten-9-il)benzoato de disodio|2-(2,4,5,7-Tetraiodo-6-oxydo-3-oxoxanthen-9-yl)benzoate de disodium|2-(2,4,5,7-tetraiodo-6-oxydo-3-oxoxanthene-9-yl)benzoate de disodium|2,4,5,7-Tetraiodofluorescein disodium salt|2,4,5,7-Tetraiodofluorescein, disodium salt|2',4',5',7'-Tetraiodofluorescein disodium salt|2',4',5',7'-Tetraiodofluoroescein disodium salt|3',6-Dihydroxy-2',4',5',7'-tetraiodospiro(isobenzofuran-1(3H),9'(9H)xanthen)-one disodium salt|3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one disodium salt|9-(o-Carboxyphenyl)-6-hydroxy-2,4,5,7-tetraiodo-3H-xanthene-3-one disodium salt monohydrate|Acid Red 51|Aizen Erythrosine|Aizen Food Red 3|Basovit Red 425E|C.I. 45430|C.I. Acid Red 51|C.I. ACID RED 51,|C.I. ACID RED 51, (ERYTHROSIN B)|C.I. Food Red 14|C.L. Acid Red 51|Calcocid Erythrosine N|Canacert Erythrosine BS|Caswell No. 425AB|Ceplac|Cerven kysela 51|Cerven potravinarska 14|Cilefa Pink B|Cogilor Red 312.10|D and C Red |111634-12-9|1342-20-7|1342-21-8|1342-28-5|145361-15-5|16904-63-5|198832-03-0|27540-70-1|658700-90-4|72027-96-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021233
ERPathway2016 ERPathway2016_1009 FD&C Red 3 16423-68-0 DTXSID7021233 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].[O-]C1=C(I)C2=C(C=C1I)C1(OC(=O)C3=CC=CC=C13)C1=C(O2)C(I)=C([O-])C(I)=C1 FD&C Red 3 16423-68-0|FD&C Red 3|1427 Red|1671 Red|2-(2,4,5,7-tetraiodo-6-oxido-3-oxoxanten-9-il)benzoato de disodio|2-(2,4,5,7-Tetraiodo-6-oxydo-3-oxoxanthen-9-yl)benzoate de disodium|2-(2,4,5,7-tetraiodo-6-oxydo-3-oxoxanthene-9-yl)benzoate de disodium|2,4,5,7-Tetraiodofluorescein disodium salt|2,4,5,7-Tetraiodofluorescein, disodium salt|2',4',5',7'-Tetraiodofluorescein disodium salt|2',4',5',7'-Tetraiodofluoroescein disodium salt|3',6-Dihydroxy-2',4',5',7'-tetraiodospiro(isobenzofuran-1(3H),9'(9H)xanthen)-one disodium salt|3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one disodium salt|9-(o-Carboxyphenyl)-6-hydroxy-2,4,5,7-tetraiodo-3H-xanthene-3-one disodium salt monohydrate|Acid Red 51|Aizen Erythrosine|Aizen Food Red 3|Basovit Red 425E|C.I. 45430|C.I. Acid Red 51|C.I. ACID RED 51,|C.I. ACID RED 51, (ERYTHROSIN B)|C.I. Food Red 14|C.L. Acid Red 51|Calcocid Erythrosine N|Canacert Erythrosine BS|Caswell No. 425AB|Ceplac|Cerven kysela 51|Cerven potravinarska 14|Cilefa Pink B|Cogilor Red 312.10|D and C Red |111634-12-9|1342-20-7|1342-21-8|1342-28-5|145361-15-5|16904-63-5|198832-03-0|27540-70-1|658700-90-4|72027-96-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021233
ERPathway2016 ERPathway2016_1009 FD&C Red 3 16423-68-0 DTXSID7021233 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].[O-]C1=C(I)C2=C(C=C1I)C1(OC(=O)C3=CC=CC=C13)C1=C(O2)C(I)=C([O-])C(I)=C1 FD&C Red 3 16423-68-0|FD&C Red 3|1427 Red|1671 Red|2-(2,4,5,7-tetraiodo-6-oxido-3-oxoxanten-9-il)benzoato de disodio|2-(2,4,5,7-Tetraiodo-6-oxydo-3-oxoxanthen-9-yl)benzoate de disodium|2-(2,4,5,7-tetraiodo-6-oxydo-3-oxoxanthene-9-yl)benzoate de disodium|2,4,5,7-Tetraiodofluorescein disodium salt|2,4,5,7-Tetraiodofluorescein, disodium salt|2',4',5',7'-Tetraiodofluorescein disodium salt|2',4',5',7'-Tetraiodofluoroescein disodium salt|3',6-Dihydroxy-2',4',5',7'-tetraiodospiro(isobenzofuran-1(3H),9'(9H)xanthen)-one disodium salt|3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one disodium salt|9-(o-Carboxyphenyl)-6-hydroxy-2,4,5,7-tetraiodo-3H-xanthene-3-one disodium salt monohydrate|Acid Red 51|Aizen Erythrosine|Aizen Food Red 3|Basovit Red 425E|C.I. 45430|C.I. Acid Red 51|C.I. ACID RED 51,|C.I. ACID RED 51, (ERYTHROSIN B)|C.I. Food Red 14|C.L. Acid Red 51|Calcocid Erythrosine N|Canacert Erythrosine BS|Caswell No. 425AB|Ceplac|Cerven kysela 51|Cerven potravinarska 14|Cilefa Pink B|Cogilor Red 312.10|D and C Red |111634-12-9|1342-20-7|1342-21-8|1342-28-5|145361-15-5|16904-63-5|198832-03-0|27540-70-1|658700-90-4|72027-96-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021233
ERPathway2016 ERPathway2016_1009 FD&C Red 3 16423-68-0 DTXSID7021233 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].[O-]C1=C(I)C2=C(C=C1I)C1(OC(=O)C3=CC=CC=C13)C1=C(O2)C(I)=C([O-])C(I)=C1 FD&C Red 3 16423-68-0|FD&C Red 3|1427 Red|1671 Red|2-(2,4,5,7-tetraiodo-6-oxido-3-oxoxanten-9-il)benzoato de disodio|2-(2,4,5,7-Tetraiodo-6-oxydo-3-oxoxanthen-9-yl)benzoate de disodium|2-(2,4,5,7-tetraiodo-6-oxydo-3-oxoxanthene-9-yl)benzoate de disodium|2,4,5,7-Tetraiodofluorescein disodium salt|2,4,5,7-Tetraiodofluorescein, disodium salt|2',4',5',7'-Tetraiodofluorescein disodium salt|2',4',5',7'-Tetraiodofluoroescein disodium salt|3',6-Dihydroxy-2',4',5',7'-tetraiodospiro(isobenzofuran-1(3H),9'(9H)xanthen)-one disodium salt|3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one disodium salt|9-(o-Carboxyphenyl)-6-hydroxy-2,4,5,7-tetraiodo-3H-xanthene-3-one disodium salt monohydrate|Acid Red 51|Aizen Erythrosine|Aizen Food Red 3|Basovit Red 425E|C.I. 45430|C.I. Acid Red 51|C.I. ACID RED 51,|C.I. ACID RED 51, (ERYTHROSIN B)|C.I. Food Red 14|C.L. Acid Red 51|Calcocid Erythrosine N|Canacert Erythrosine BS|Caswell No. 425AB|Ceplac|Cerven kysela 51|Cerven potravinarska 14|Cilefa Pink B|Cogilor Red 312.10|D and C Red |111634-12-9|1342-20-7|1342-21-8|1342-28-5|145361-15-5|16904-63-5|198832-03-0|27540-70-1|658700-90-4|72027-96-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021233
ARPathway2016 ARPathway2016_1217 FD&C Red 4 4548-53-2 DTXSID2021234 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].CC1=CC(C)=C(C=C1N=NC1=CC(=C2C=CC=CC2=C1O)S([O-])(=O)=O)S([O-])(=O)=O FD&C Red 4 4548-53-2|FD&C Red 4|1-NAPHTHALENESULFONIC ACID, 3-[(2,4-DIMETHYL-5- SULFOPHENYL)AZO]-4-HYDROXY-, DISODIUM SALT|1-Naphthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt|1-Naphthalenesulfonic acid, 3-[2-(2,4-dimethyl-5-sulfophenyl)diazenyl]-4-hydroxy-, sodium salt (1:2)|1-Napthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt|2-(6-Sulfo-2,4-xylylazo)-1-naphthol-4-sulfonic acid, disodium salt|2-(6-Sulpho-2,4-xylylazo)-1-naphthol-4-sulphonic acid, disodium salt|3-((2,4-Dimethyl-5-sulfophenyl)azo)-4-hydroxy-1-naphthalenesulfonic acid, disodium salt|3-((2,4-Dimethyl-5-sulphophenyl)azo)-4-hydroxy-1-naphthalenesulphonic acid, disodium salt|3-[(2,4-Dimethyl-5-sulfonatophenyl)azo]-4-hydroxynaphtalene-1-sulfonate de disodium|3-[(2,4-Dimethyl-5-sulfophenyl)azo]-4-hydroxy-1-naphthalene sufonic acid, disodium salt|3-[(2,4-dimetil-5-sulfonatofenil)azo]-4-hidroxinaftaleno-1-sulfonato de disodio|4-Hydroxy-3-((5-sulfo-2,4-xylyl)azo)-1-naphthalenesulfonic acid, disodium salt|4-Hydrox https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021234 https://doi.org/10.22427/NTP-DATA-DTXSID2021234
ARPathway2016 ARPathway2016_1217 FD&C Red 4 4548-53-2 DTXSID2021234 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].CC1=CC(C)=C(C=C1N=NC1=CC(=C2C=CC=CC2=C1O)S([O-])(=O)=O)S([O-])(=O)=O FD&C Red 4 4548-53-2|FD&C Red 4|1-NAPHTHALENESULFONIC ACID, 3-[(2,4-DIMETHYL-5- SULFOPHENYL)AZO]-4-HYDROXY-, DISODIUM SALT|1-Naphthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt|1-Naphthalenesulfonic acid, 3-[2-(2,4-dimethyl-5-sulfophenyl)diazenyl]-4-hydroxy-, sodium salt (1:2)|1-Napthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt|2-(6-Sulfo-2,4-xylylazo)-1-naphthol-4-sulfonic acid, disodium salt|2-(6-Sulpho-2,4-xylylazo)-1-naphthol-4-sulphonic acid, disodium salt|3-((2,4-Dimethyl-5-sulfophenyl)azo)-4-hydroxy-1-naphthalenesulfonic acid, disodium salt|3-((2,4-Dimethyl-5-sulphophenyl)azo)-4-hydroxy-1-naphthalenesulphonic acid, disodium salt|3-[(2,4-Dimethyl-5-sulfonatophenyl)azo]-4-hydroxynaphtalene-1-sulfonate de disodium|3-[(2,4-Dimethyl-5-sulfophenyl)azo]-4-hydroxy-1-naphthalene sufonic acid, disodium salt|3-[(2,4-dimetil-5-sulfonatofenil)azo]-4-hidroxinaftaleno-1-sulfonato de disodio|4-Hydroxy-3-((5-sulfo-2,4-xylyl)azo)-1-naphthalenesulfonic acid, disodium salt|4-Hydrox https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021234 https://doi.org/10.22427/NTP-DATA-DTXSID2021234
ARPathway2016 ARPathway2016_1217 FD&C Red 4 4548-53-2 DTXSID2021234 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].CC1=CC(C)=C(C=C1N=NC1=CC(=C2C=CC=CC2=C1O)S([O-])(=O)=O)S([O-])(=O)=O FD&C Red 4 4548-53-2|FD&C Red 4|1-NAPHTHALENESULFONIC ACID, 3-[(2,4-DIMETHYL-5- SULFOPHENYL)AZO]-4-HYDROXY-, DISODIUM SALT|1-Naphthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt|1-Naphthalenesulfonic acid, 3-[2-(2,4-dimethyl-5-sulfophenyl)diazenyl]-4-hydroxy-, sodium salt (1:2)|1-Napthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt|2-(6-Sulfo-2,4-xylylazo)-1-naphthol-4-sulfonic acid, disodium salt|2-(6-Sulpho-2,4-xylylazo)-1-naphthol-4-sulphonic acid, disodium salt|3-((2,4-Dimethyl-5-sulfophenyl)azo)-4-hydroxy-1-naphthalenesulfonic acid, disodium salt|3-((2,4-Dimethyl-5-sulphophenyl)azo)-4-hydroxy-1-naphthalenesulphonic acid, disodium salt|3-[(2,4-Dimethyl-5-sulfonatophenyl)azo]-4-hydroxynaphtalene-1-sulfonate de disodium|3-[(2,4-Dimethyl-5-sulfophenyl)azo]-4-hydroxy-1-naphthalene sufonic acid, disodium salt|3-[(2,4-dimetil-5-sulfonatofenil)azo]-4-hidroxinaftaleno-1-sulfonato de disodio|4-Hydroxy-3-((5-sulfo-2,4-xylyl)azo)-1-naphthalenesulfonic acid, disodium salt|4-Hydrox https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021234 https://doi.org/10.22427/NTP-DATA-DTXSID2021234
ARPathway2016 ARPathway2016_1217 FD&C Red 4 4548-53-2 DTXSID2021234 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].CC1=CC(C)=C(C=C1N=NC1=CC(=C2C=CC=CC2=C1O)S([O-])(=O)=O)S([O-])(=O)=O FD&C Red 4 4548-53-2|FD&C Red 4|1-NAPHTHALENESULFONIC ACID, 3-[(2,4-DIMETHYL-5- SULFOPHENYL)AZO]-4-HYDROXY-, DISODIUM SALT|1-Naphthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt|1-Naphthalenesulfonic acid, 3-[2-(2,4-dimethyl-5-sulfophenyl)diazenyl]-4-hydroxy-, sodium salt (1:2)|1-Napthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt|2-(6-Sulfo-2,4-xylylazo)-1-naphthol-4-sulfonic acid, disodium salt|2-(6-Sulpho-2,4-xylylazo)-1-naphthol-4-sulphonic acid, disodium salt|3-((2,4-Dimethyl-5-sulfophenyl)azo)-4-hydroxy-1-naphthalenesulfonic acid, disodium salt|3-((2,4-Dimethyl-5-sulphophenyl)azo)-4-hydroxy-1-naphthalenesulphonic acid, disodium salt|3-[(2,4-Dimethyl-5-sulfonatophenyl)azo]-4-hydroxynaphtalene-1-sulfonate de disodium|3-[(2,4-Dimethyl-5-sulfophenyl)azo]-4-hydroxy-1-naphthalene sufonic acid, disodium salt|3-[(2,4-dimetil-5-sulfonatofenil)azo]-4-hidroxinaftaleno-1-sulfonato de disodio|4-Hydroxy-3-((5-sulfo-2,4-xylyl)azo)-1-naphthalenesulfonic acid, disodium salt|4-Hydrox https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021234 https://doi.org/10.22427/NTP-DATA-DTXSID2021234
ERPathway2016 ERPathway2016_1485 FD&C Red 4 4548-53-2 DTXSID2021234 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].CC1=CC(C)=C(C=C1N=NC1=CC(=C2C=CC=CC2=C1O)S([O-])(=O)=O)S([O-])(=O)=O FD&C Red 4 4548-53-2|FD&C Red 4|1-NAPHTHALENESULFONIC ACID, 3-[(2,4-DIMETHYL-5- SULFOPHENYL)AZO]-4-HYDROXY-, DISODIUM SALT|1-Naphthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt|1-Naphthalenesulfonic acid, 3-[2-(2,4-dimethyl-5-sulfophenyl)diazenyl]-4-hydroxy-, sodium salt (1:2)|1-Napthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt|2-(6-Sulfo-2,4-xylylazo)-1-naphthol-4-sulfonic acid, disodium salt|2-(6-Sulpho-2,4-xylylazo)-1-naphthol-4-sulphonic acid, disodium salt|3-((2,4-Dimethyl-5-sulfophenyl)azo)-4-hydroxy-1-naphthalenesulfonic acid, disodium salt|3-((2,4-Dimethyl-5-sulphophenyl)azo)-4-hydroxy-1-naphthalenesulphonic acid, disodium salt|3-[(2,4-Dimethyl-5-sulfonatophenyl)azo]-4-hydroxynaphtalene-1-sulfonate de disodium|3-[(2,4-Dimethyl-5-sulfophenyl)azo]-4-hydroxy-1-naphthalene sufonic acid, disodium salt|3-[(2,4-dimetil-5-sulfonatofenil)azo]-4-hidroxinaftaleno-1-sulfonato de disodio|4-Hydroxy-3-((5-sulfo-2,4-xylyl)azo)-1-naphthalenesulfonic acid, disodium salt|4-Hydrox https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021234 https://doi.org/10.22427/NTP-DATA-DTXSID2021234
ERPathway2016 ERPathway2016_1485 FD&C Red 4 4548-53-2 DTXSID2021234 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].CC1=CC(C)=C(C=C1N=NC1=CC(=C2C=CC=CC2=C1O)S([O-])(=O)=O)S([O-])(=O)=O FD&C Red 4 4548-53-2|FD&C Red 4|1-NAPHTHALENESULFONIC ACID, 3-[(2,4-DIMETHYL-5- SULFOPHENYL)AZO]-4-HYDROXY-, DISODIUM SALT|1-Naphthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt|1-Naphthalenesulfonic acid, 3-[2-(2,4-dimethyl-5-sulfophenyl)diazenyl]-4-hydroxy-, sodium salt (1:2)|1-Napthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt|2-(6-Sulfo-2,4-xylylazo)-1-naphthol-4-sulfonic acid, disodium salt|2-(6-Sulpho-2,4-xylylazo)-1-naphthol-4-sulphonic acid, disodium salt|3-((2,4-Dimethyl-5-sulfophenyl)azo)-4-hydroxy-1-naphthalenesulfonic acid, disodium salt|3-((2,4-Dimethyl-5-sulphophenyl)azo)-4-hydroxy-1-naphthalenesulphonic acid, disodium salt|3-[(2,4-Dimethyl-5-sulfonatophenyl)azo]-4-hydroxynaphtalene-1-sulfonate de disodium|3-[(2,4-Dimethyl-5-sulfophenyl)azo]-4-hydroxy-1-naphthalene sufonic acid, disodium salt|3-[(2,4-dimetil-5-sulfonatofenil)azo]-4-hidroxinaftaleno-1-sulfonato de disodio|4-Hydroxy-3-((5-sulfo-2,4-xylyl)azo)-1-naphthalenesulfonic acid, disodium salt|4-Hydrox https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021234 https://doi.org/10.22427/NTP-DATA-DTXSID2021234
ERPathway2016 ERPathway2016_1485 FD&C Red 4 4548-53-2 DTXSID2021234 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].CC1=CC(C)=C(C=C1N=NC1=CC(=C2C=CC=CC2=C1O)S([O-])(=O)=O)S([O-])(=O)=O FD&C Red 4 4548-53-2|FD&C Red 4|1-NAPHTHALENESULFONIC ACID, 3-[(2,4-DIMETHYL-5- SULFOPHENYL)AZO]-4-HYDROXY-, DISODIUM SALT|1-Naphthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt|1-Naphthalenesulfonic acid, 3-[2-(2,4-dimethyl-5-sulfophenyl)diazenyl]-4-hydroxy-, sodium salt (1:2)|1-Napthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt|2-(6-Sulfo-2,4-xylylazo)-1-naphthol-4-sulfonic acid, disodium salt|2-(6-Sulpho-2,4-xylylazo)-1-naphthol-4-sulphonic acid, disodium salt|3-((2,4-Dimethyl-5-sulfophenyl)azo)-4-hydroxy-1-naphthalenesulfonic acid, disodium salt|3-((2,4-Dimethyl-5-sulphophenyl)azo)-4-hydroxy-1-naphthalenesulphonic acid, disodium salt|3-[(2,4-Dimethyl-5-sulfonatophenyl)azo]-4-hydroxynaphtalene-1-sulfonate de disodium|3-[(2,4-Dimethyl-5-sulfophenyl)azo]-4-hydroxy-1-naphthalene sufonic acid, disodium salt|3-[(2,4-dimetil-5-sulfonatofenil)azo]-4-hidroxinaftaleno-1-sulfonato de disodio|4-Hydroxy-3-((5-sulfo-2,4-xylyl)azo)-1-naphthalenesulfonic acid, disodium salt|4-Hydrox https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021234 https://doi.org/10.22427/NTP-DATA-DTXSID2021234
ERPathway2016 ERPathway2016_1485 FD&C Red 4 4548-53-2 DTXSID2021234 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].CC1=CC(C)=C(C=C1N=NC1=CC(=C2C=CC=CC2=C1O)S([O-])(=O)=O)S([O-])(=O)=O FD&C Red 4 4548-53-2|FD&C Red 4|1-NAPHTHALENESULFONIC ACID, 3-[(2,4-DIMETHYL-5- SULFOPHENYL)AZO]-4-HYDROXY-, DISODIUM SALT|1-Naphthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt|1-Naphthalenesulfonic acid, 3-[2-(2,4-dimethyl-5-sulfophenyl)diazenyl]-4-hydroxy-, sodium salt (1:2)|1-Napthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt|2-(6-Sulfo-2,4-xylylazo)-1-naphthol-4-sulfonic acid, disodium salt|2-(6-Sulpho-2,4-xylylazo)-1-naphthol-4-sulphonic acid, disodium salt|3-((2,4-Dimethyl-5-sulfophenyl)azo)-4-hydroxy-1-naphthalenesulfonic acid, disodium salt|3-((2,4-Dimethyl-5-sulphophenyl)azo)-4-hydroxy-1-naphthalenesulphonic acid, disodium salt|3-[(2,4-Dimethyl-5-sulfonatophenyl)azo]-4-hydroxynaphtalene-1-sulfonate de disodium|3-[(2,4-Dimethyl-5-sulfophenyl)azo]-4-hydroxy-1-naphthalene sufonic acid, disodium salt|3-[(2,4-dimetil-5-sulfonatofenil)azo]-4-hidroxinaftaleno-1-sulfonato de disodio|4-Hydroxy-3-((5-sulfo-2,4-xylyl)azo)-1-naphthalenesulfonic acid, disodium salt|4-Hydrox https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021234 https://doi.org/10.22427/NTP-DATA-DTXSID2021234
ARPathway2016 ARPathway2016_1095 FD&C Yellow 6 2783-94-0 DTXSID6021456 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=C(C=C1)C=C(C=C2)S([O-])(=O)=O FD&C Yellow 6 2783-94-0|FD&C Yellow 6|1-p-Sulfophenylazo-2-hydroxynaphthalene-6-sulfonate disodium salt|1-p-Sulfophenylazo-2-hydroxynaphthalene-6-sulfonate, disodium salt|1-p-Sulfophenylazo-2-naphthol-6-sulfonic acid, disodium salt|1-p-Sulphophenylazo-2-naphthol-6-sulphonic acid, disodium salt|1351 Yellow|1899 Yellow|2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-sulfophenyl)azo)-, disodiumsalt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:2)|6-hidroxi-5-[(4-sulfonatofenil)azo]naftaleno-2-sulfonato de disodio|6-Hydroxy-5-((4-sulphophenyl)azo)-2-naphthalenesulphonic acid, disodium salt|6-Hydroxy-5-((p-sulfophenyl)azo)-2-naphthalenesulfonic acid, disodium salt|6-Hydroxy-5-((p-sulphophenyl)azo)-2-naphthalenesulphonic acid, disodium salt|6-Hydroxy-5-(4-sulfonatophenylazo)naphtalene-2-sulfonate de disodium|6-hydroxy-5-[(4-sulfonatophenyl)azo]naphtalene-2-sulfonate de disodium|A.F. Yellow No. 5|Acid Food Yellow 3|Acid Yellow TRA|Aizen Food Y|12707-27-6|1342-61-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021456 https://doi.org/10.22427/NTP-DATA-DTXSID6021456
ARPathway2016 ARPathway2016_1095 FD&C Yellow 6 2783-94-0 DTXSID6021456 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=C(C=C1)C=C(C=C2)S([O-])(=O)=O FD&C Yellow 6 2783-94-0|FD&C Yellow 6|1-p-Sulfophenylazo-2-hydroxynaphthalene-6-sulfonate disodium salt|1-p-Sulfophenylazo-2-hydroxynaphthalene-6-sulfonate, disodium salt|1-p-Sulfophenylazo-2-naphthol-6-sulfonic acid, disodium salt|1-p-Sulphophenylazo-2-naphthol-6-sulphonic acid, disodium salt|1351 Yellow|1899 Yellow|2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-sulfophenyl)azo)-, disodiumsalt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:2)|6-hidroxi-5-[(4-sulfonatofenil)azo]naftaleno-2-sulfonato de disodio|6-Hydroxy-5-((4-sulphophenyl)azo)-2-naphthalenesulphonic acid, disodium salt|6-Hydroxy-5-((p-sulfophenyl)azo)-2-naphthalenesulfonic acid, disodium salt|6-Hydroxy-5-((p-sulphophenyl)azo)-2-naphthalenesulphonic acid, disodium salt|6-Hydroxy-5-(4-sulfonatophenylazo)naphtalene-2-sulfonate de disodium|6-hydroxy-5-[(4-sulfonatophenyl)azo]naphtalene-2-sulfonate de disodium|A.F. Yellow No. 5|Acid Food Yellow 3|Acid Yellow TRA|Aizen Food Y|12707-27-6|1342-61-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021456 https://doi.org/10.22427/NTP-DATA-DTXSID6021456
ARPathway2016 ARPathway2016_1095 FD&C Yellow 6 2783-94-0 DTXSID6021456 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=C(C=C1)C=C(C=C2)S([O-])(=O)=O FD&C Yellow 6 2783-94-0|FD&C Yellow 6|1-p-Sulfophenylazo-2-hydroxynaphthalene-6-sulfonate disodium salt|1-p-Sulfophenylazo-2-hydroxynaphthalene-6-sulfonate, disodium salt|1-p-Sulfophenylazo-2-naphthol-6-sulfonic acid, disodium salt|1-p-Sulphophenylazo-2-naphthol-6-sulphonic acid, disodium salt|1351 Yellow|1899 Yellow|2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-sulfophenyl)azo)-, disodiumsalt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:2)|6-hidroxi-5-[(4-sulfonatofenil)azo]naftaleno-2-sulfonato de disodio|6-Hydroxy-5-((4-sulphophenyl)azo)-2-naphthalenesulphonic acid, disodium salt|6-Hydroxy-5-((p-sulfophenyl)azo)-2-naphthalenesulfonic acid, disodium salt|6-Hydroxy-5-((p-sulphophenyl)azo)-2-naphthalenesulphonic acid, disodium salt|6-Hydroxy-5-(4-sulfonatophenylazo)naphtalene-2-sulfonate de disodium|6-hydroxy-5-[(4-sulfonatophenyl)azo]naphtalene-2-sulfonate de disodium|A.F. Yellow No. 5|Acid Food Yellow 3|Acid Yellow TRA|Aizen Food Y|12707-27-6|1342-61-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021456 https://doi.org/10.22427/NTP-DATA-DTXSID6021456
ARPathway2016 ARPathway2016_1095 FD&C Yellow 6 2783-94-0 DTXSID6021456 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=C(C=C1)C=C(C=C2)S([O-])(=O)=O FD&C Yellow 6 2783-94-0|FD&C Yellow 6|1-p-Sulfophenylazo-2-hydroxynaphthalene-6-sulfonate disodium salt|1-p-Sulfophenylazo-2-hydroxynaphthalene-6-sulfonate, disodium salt|1-p-Sulfophenylazo-2-naphthol-6-sulfonic acid, disodium salt|1-p-Sulphophenylazo-2-naphthol-6-sulphonic acid, disodium salt|1351 Yellow|1899 Yellow|2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-sulfophenyl)azo)-, disodiumsalt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:2)|6-hidroxi-5-[(4-sulfonatofenil)azo]naftaleno-2-sulfonato de disodio|6-Hydroxy-5-((4-sulphophenyl)azo)-2-naphthalenesulphonic acid, disodium salt|6-Hydroxy-5-((p-sulfophenyl)azo)-2-naphthalenesulfonic acid, disodium salt|6-Hydroxy-5-((p-sulphophenyl)azo)-2-naphthalenesulphonic acid, disodium salt|6-Hydroxy-5-(4-sulfonatophenylazo)naphtalene-2-sulfonate de disodium|6-hydroxy-5-[(4-sulfonatophenyl)azo]naphtalene-2-sulfonate de disodium|A.F. Yellow No. 5|Acid Food Yellow 3|Acid Yellow TRA|Aizen Food Y|12707-27-6|1342-61-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021456 https://doi.org/10.22427/NTP-DATA-DTXSID6021456
ERPathway2016 ERPathway2016_1425 FD&C Yellow 6 2783-94-0 DTXSID6021456 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=C(C=C1)C=C(C=C2)S([O-])(=O)=O FD&C Yellow 6 2783-94-0|FD&C Yellow 6|1-p-Sulfophenylazo-2-hydroxynaphthalene-6-sulfonate disodium salt|1-p-Sulfophenylazo-2-hydroxynaphthalene-6-sulfonate, disodium salt|1-p-Sulfophenylazo-2-naphthol-6-sulfonic acid, disodium salt|1-p-Sulphophenylazo-2-naphthol-6-sulphonic acid, disodium salt|1351 Yellow|1899 Yellow|2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-sulfophenyl)azo)-, disodiumsalt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:2)|6-hidroxi-5-[(4-sulfonatofenil)azo]naftaleno-2-sulfonato de disodio|6-Hydroxy-5-((4-sulphophenyl)azo)-2-naphthalenesulphonic acid, disodium salt|6-Hydroxy-5-((p-sulfophenyl)azo)-2-naphthalenesulfonic acid, disodium salt|6-Hydroxy-5-((p-sulphophenyl)azo)-2-naphthalenesulphonic acid, disodium salt|6-Hydroxy-5-(4-sulfonatophenylazo)naphtalene-2-sulfonate de disodium|6-hydroxy-5-[(4-sulfonatophenyl)azo]naphtalene-2-sulfonate de disodium|A.F. Yellow No. 5|Acid Food Yellow 3|Acid Yellow TRA|Aizen Food Y|12707-27-6|1342-61-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021456 https://doi.org/10.22427/NTP-DATA-DTXSID6021456
ERPathway2016 ERPathway2016_1425 FD&C Yellow 6 2783-94-0 DTXSID6021456 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=C(C=C1)C=C(C=C2)S([O-])(=O)=O FD&C Yellow 6 2783-94-0|FD&C Yellow 6|1-p-Sulfophenylazo-2-hydroxynaphthalene-6-sulfonate disodium salt|1-p-Sulfophenylazo-2-hydroxynaphthalene-6-sulfonate, disodium salt|1-p-Sulfophenylazo-2-naphthol-6-sulfonic acid, disodium salt|1-p-Sulphophenylazo-2-naphthol-6-sulphonic acid, disodium salt|1351 Yellow|1899 Yellow|2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-sulfophenyl)azo)-, disodiumsalt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:2)|6-hidroxi-5-[(4-sulfonatofenil)azo]naftaleno-2-sulfonato de disodio|6-Hydroxy-5-((4-sulphophenyl)azo)-2-naphthalenesulphonic acid, disodium salt|6-Hydroxy-5-((p-sulfophenyl)azo)-2-naphthalenesulfonic acid, disodium salt|6-Hydroxy-5-((p-sulphophenyl)azo)-2-naphthalenesulphonic acid, disodium salt|6-Hydroxy-5-(4-sulfonatophenylazo)naphtalene-2-sulfonate de disodium|6-hydroxy-5-[(4-sulfonatophenyl)azo]naphtalene-2-sulfonate de disodium|A.F. Yellow No. 5|Acid Food Yellow 3|Acid Yellow TRA|Aizen Food Y|12707-27-6|1342-61-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021456 https://doi.org/10.22427/NTP-DATA-DTXSID6021456
ERPathway2016 ERPathway2016_1425 FD&C Yellow 6 2783-94-0 DTXSID6021456 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=C(C=C1)C=C(C=C2)S([O-])(=O)=O FD&C Yellow 6 2783-94-0|FD&C Yellow 6|1-p-Sulfophenylazo-2-hydroxynaphthalene-6-sulfonate disodium salt|1-p-Sulfophenylazo-2-hydroxynaphthalene-6-sulfonate, disodium salt|1-p-Sulfophenylazo-2-naphthol-6-sulfonic acid, disodium salt|1-p-Sulphophenylazo-2-naphthol-6-sulphonic acid, disodium salt|1351 Yellow|1899 Yellow|2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-sulfophenyl)azo)-, disodiumsalt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:2)|6-hidroxi-5-[(4-sulfonatofenil)azo]naftaleno-2-sulfonato de disodio|6-Hydroxy-5-((4-sulphophenyl)azo)-2-naphthalenesulphonic acid, disodium salt|6-Hydroxy-5-((p-sulfophenyl)azo)-2-naphthalenesulfonic acid, disodium salt|6-Hydroxy-5-((p-sulphophenyl)azo)-2-naphthalenesulphonic acid, disodium salt|6-Hydroxy-5-(4-sulfonatophenylazo)naphtalene-2-sulfonate de disodium|6-hydroxy-5-[(4-sulfonatophenyl)azo]naphtalene-2-sulfonate de disodium|A.F. Yellow No. 5|Acid Food Yellow 3|Acid Yellow TRA|Aizen Food Y|12707-27-6|1342-61-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021456 https://doi.org/10.22427/NTP-DATA-DTXSID6021456
ERPathway2016 ERPathway2016_1425 FD&C Yellow 6 2783-94-0 DTXSID6021456 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=C(C=C1)C=C(C=C2)S([O-])(=O)=O FD&C Yellow 6 2783-94-0|FD&C Yellow 6|1-p-Sulfophenylazo-2-hydroxynaphthalene-6-sulfonate disodium salt|1-p-Sulfophenylazo-2-hydroxynaphthalene-6-sulfonate, disodium salt|1-p-Sulfophenylazo-2-naphthol-6-sulfonic acid, disodium salt|1-p-Sulphophenylazo-2-naphthol-6-sulphonic acid, disodium salt|1351 Yellow|1899 Yellow|2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-sulfophenyl)azo)-, disodiumsalt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt|2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:2)|6-hidroxi-5-[(4-sulfonatofenil)azo]naftaleno-2-sulfonato de disodio|6-Hydroxy-5-((4-sulphophenyl)azo)-2-naphthalenesulphonic acid, disodium salt|6-Hydroxy-5-((p-sulfophenyl)azo)-2-naphthalenesulfonic acid, disodium salt|6-Hydroxy-5-((p-sulphophenyl)azo)-2-naphthalenesulphonic acid, disodium salt|6-Hydroxy-5-(4-sulfonatophenylazo)naphtalene-2-sulfonate de disodium|6-hydroxy-5-[(4-sulfonatophenyl)azo]naphtalene-2-sulfonate de disodium|A.F. Yellow No. 5|Acid Food Yellow 3|Acid Yellow TRA|Aizen Food Y|12707-27-6|1342-61-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021456 https://doi.org/10.22427/NTP-DATA-DTXSID6021456
ARPathway2016 ARPathway2016_911 Fenamidone 161326-34-7 DTXSID2034590 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless CSC1=N[C@](C)(C(=O)N1NC1=CC=CC=C1)C1=CC=CC=C1 Fenamidone 161326-34-7|Fenamidone|(5S)- 4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-|(5S)-3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-4H-imidazol-4-one|(S)-1-anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one|1-Anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-, (5S)-|Fenamidone|RPA 407213|UNII-DN24MG2Z5E|1135442-67-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034590
ARPathway2016 ARPathway2016_911 Fenamidone 161326-34-7 DTXSID2034590 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CSC1=N[C@](C)(C(=O)N1NC1=CC=CC=C1)C1=CC=CC=C1 Fenamidone 161326-34-7|Fenamidone|(5S)- 4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-|(5S)-3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-4H-imidazol-4-one|(S)-1-anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one|1-Anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-, (5S)-|Fenamidone|RPA 407213|UNII-DN24MG2Z5E|1135442-67-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034590
ARPathway2016 ARPathway2016_911 Fenamidone 161326-34-7 DTXSID2034590 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless CSC1=N[C@](C)(C(=O)N1NC1=CC=CC=C1)C1=CC=CC=C1 Fenamidone 161326-34-7|Fenamidone|(5S)- 4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-|(5S)-3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-4H-imidazol-4-one|(S)-1-anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one|1-Anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-, (5S)-|Fenamidone|RPA 407213|UNII-DN24MG2Z5E|1135442-67-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034590
ARPathway2016 ARPathway2016_911 Fenamidone 161326-34-7 DTXSID2034590 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CSC1=N[C@](C)(C(=O)N1NC1=CC=CC=C1)C1=CC=CC=C1 Fenamidone 161326-34-7|Fenamidone|(5S)- 4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-|(5S)-3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-4H-imidazol-4-one|(S)-1-anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one|1-Anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-, (5S)-|Fenamidone|RPA 407213|UNII-DN24MG2Z5E|1135442-67-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034590
ERPathway2016 ERPathway2016_359 Fenamidone 161326-34-7 DTXSID2034590 ER Pathway Model, Antagonist AC50 12.733323456492 uM CSC1=N[C@](C)(C(=O)N1NC1=CC=CC=C1)C1=CC=CC=C1 Fenamidone 161326-34-7|Fenamidone|(5S)- 4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-|(5S)-3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-4H-imidazol-4-one|(S)-1-anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one|1-Anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-, (5S)-|Fenamidone|RPA 407213|UNII-DN24MG2Z5E|1135442-67-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034590
ERPathway2016 ERPathway2016_359 Fenamidone 161326-34-7 DTXSID2034590 ER Pathway Model, Antagonist ACC 12.6190627544682 uM CSC1=N[C@](C)(C(=O)N1NC1=CC=CC=C1)C1=CC=CC=C1 Fenamidone 161326-34-7|Fenamidone|(5S)- 4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-|(5S)-3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-4H-imidazol-4-one|(S)-1-anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one|1-Anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-, (5S)-|Fenamidone|RPA 407213|UNII-DN24MG2Z5E|1135442-67-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034590
ERPathway2016 ERPathway2016_359 Fenamidone 161326-34-7 DTXSID2034590 ER Pathway Model, Agonist Model Score 0.0164 Unitless CSC1=N[C@](C)(C(=O)N1NC1=CC=CC=C1)C1=CC=CC=C1 Fenamidone 161326-34-7|Fenamidone|(5S)- 4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-|(5S)-3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-4H-imidazol-4-one|(S)-1-anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one|1-Anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-, (5S)-|Fenamidone|RPA 407213|UNII-DN24MG2Z5E|1135442-67-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034590
ERPathway2016 ERPathway2016_359 Fenamidone 161326-34-7 DTXSID2034590 ER Pathway Model, Antagonist Model Score 0 Unitless CSC1=N[C@](C)(C(=O)N1NC1=CC=CC=C1)C1=CC=CC=C1 Fenamidone 161326-34-7|Fenamidone|(5S)- 4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-|(5S)-3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-4H-imidazol-4-one|(S)-1-anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one|1-Anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-, (5S)-|Fenamidone|RPA 407213|UNII-DN24MG2Z5E|1135442-67-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034590
ERPathway2016 ERPathway2016_359 Fenamidone 161326-34-7 DTXSID2034590 ER Pathway Model, Agonist Call Inactive Unitless CSC1=N[C@](C)(C(=O)N1NC1=CC=CC=C1)C1=CC=CC=C1 Fenamidone 161326-34-7|Fenamidone|(5S)- 4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-|(5S)-3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-4H-imidazol-4-one|(S)-1-anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one|1-Anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-, (5S)-|Fenamidone|RPA 407213|UNII-DN24MG2Z5E|1135442-67-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034590
ERPathway2016 ERPathway2016_359 Fenamidone 161326-34-7 DTXSID2034590 ER Pathway Model, Antagonist Call Active Unitless CSC1=N[C@](C)(C(=O)N1NC1=CC=CC=C1)C1=CC=CC=C1 Fenamidone 161326-34-7|Fenamidone|(5S)- 4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-|(5S)-3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-4H-imidazol-4-one|(S)-1-anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|(S)-5-methyl-2-methylthio-5-phenyl-3-phenylamino-3,5-dihydroimidazol-4-one|1-Anilino-4-methyl-2-methylthio-4-phenylimidazolin-5-one|4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-, (5S)-|Fenamidone|RPA 407213|UNII-DN24MG2Z5E|1135442-67-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034590
ARPathway2016 ARPathway2016_829 Fenaminosulf 140-56-7 DTXSID6040371 FLAG: Wrong direction shift (Hit/Hit) -1.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CN(C)C1=CC=C(C=C1)N=NS([O-])(=O)=O Fenaminosulf 140-56-7|Fenaminosulf|(4-(Dimethylamino)phenyl)diazenesulfonic acid, sodium salt|4-((Dimethylamino)phenyl)diazenesulphonic acid, sodium salt|4-Dimethylaminobenzenediazosulfonic acid, sodium salt|4-Dimethylaminobenzenediazosulphonic acid, sodium salt|4-Dimethylaminophenyl diazene sulfonate, sodium salt|Bayer 22555|Benzenediazosulfonic acid, p-(dimethylamino)-, sodium salt|Caswell No. 359B|Deksonal|Dexoxon|Diazenesulfonic acid, [4-(dimethylamino)phenyl]-, sodium salt|Diazenesulfonic acid, 2-[4-(dimethylamino)phenyl]-, sodium salt (1:1)|Diazoben|EINECS 205-419-4|EPA Pesticide Chemical Code 034201|Gold Orange MP|N,N-Dimethyl-p-anilinediazosulfonic acid sodium salt|NCI-C03010|p-(Dimethylamino)-phenyldiazo-natriumsulfonat|p-(Dimethylamino)benzenediazosulfonate|p-(Dimethylamino)benzenediazosulphonate|p-(Dimethylamino)benzenediazosulphonic acid, sodium salt|p-Dimethylaminobenzene diazo sodium sulfonate|p-Dimethylaminobenzenediazo sodium sulfonate|p-Dimethylaminobenzenediazosodium sulphonate|p-Dimethylaminobenzenediazosulfonic acid, sodium https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040371 https://doi.org/10.22427/NTP-DATA-DTXSID6040371
ARPathway2016 ARPathway2016_829 Fenaminosulf 140-56-7 DTXSID6040371 FLAG: Wrong direction shift (Hit/Hit) -1.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CN(C)C1=CC=C(C=C1)N=NS([O-])(=O)=O Fenaminosulf 140-56-7|Fenaminosulf|(4-(Dimethylamino)phenyl)diazenesulfonic acid, sodium salt|4-((Dimethylamino)phenyl)diazenesulphonic acid, sodium salt|4-Dimethylaminobenzenediazosulfonic acid, sodium salt|4-Dimethylaminobenzenediazosulphonic acid, sodium salt|4-Dimethylaminophenyl diazene sulfonate, sodium salt|Bayer 22555|Benzenediazosulfonic acid, p-(dimethylamino)-, sodium salt|Caswell No. 359B|Deksonal|Dexoxon|Diazenesulfonic acid, [4-(dimethylamino)phenyl]-, sodium salt|Diazenesulfonic acid, 2-[4-(dimethylamino)phenyl]-, sodium salt (1:1)|Diazoben|EINECS 205-419-4|EPA Pesticide Chemical Code 034201|Gold Orange MP|N,N-Dimethyl-p-anilinediazosulfonic acid sodium salt|NCI-C03010|p-(Dimethylamino)-phenyldiazo-natriumsulfonat|p-(Dimethylamino)benzenediazosulfonate|p-(Dimethylamino)benzenediazosulphonate|p-(Dimethylamino)benzenediazosulphonic acid, sodium salt|p-Dimethylaminobenzene diazo sodium sulfonate|p-Dimethylaminobenzenediazo sodium sulfonate|p-Dimethylaminobenzenediazosodium sulphonate|p-Dimethylaminobenzenediazosulfonic acid, sodium https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040371 https://doi.org/10.22427/NTP-DATA-DTXSID6040371
ARPathway2016 ARPathway2016_829 Fenaminosulf 140-56-7 DTXSID6040371 FLAG: Wrong direction shift (Hit/Hit) -1.0 A11 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CN(C)C1=CC=C(C=C1)N=NS([O-])(=O)=O Fenaminosulf 140-56-7|Fenaminosulf|(4-(Dimethylamino)phenyl)diazenesulfonic acid, sodium salt|4-((Dimethylamino)phenyl)diazenesulphonic acid, sodium salt|4-Dimethylaminobenzenediazosulfonic acid, sodium salt|4-Dimethylaminobenzenediazosulphonic acid, sodium salt|4-Dimethylaminophenyl diazene sulfonate, sodium salt|Bayer 22555|Benzenediazosulfonic acid, p-(dimethylamino)-, sodium salt|Caswell No. 359B|Deksonal|Dexoxon|Diazenesulfonic acid, [4-(dimethylamino)phenyl]-, sodium salt|Diazenesulfonic acid, 2-[4-(dimethylamino)phenyl]-, sodium salt (1:1)|Diazoben|EINECS 205-419-4|EPA Pesticide Chemical Code 034201|Gold Orange MP|N,N-Dimethyl-p-anilinediazosulfonic acid sodium salt|NCI-C03010|p-(Dimethylamino)-phenyldiazo-natriumsulfonat|p-(Dimethylamino)benzenediazosulfonate|p-(Dimethylamino)benzenediazosulphonate|p-(Dimethylamino)benzenediazosulphonic acid, sodium salt|p-Dimethylaminobenzene diazo sodium sulfonate|p-Dimethylaminobenzenediazo sodium sulfonate|p-Dimethylaminobenzenediazosodium sulphonate|p-Dimethylaminobenzenediazosulfonic acid, sodium https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040371 https://doi.org/10.22427/NTP-DATA-DTXSID6040371
ARPathway2016 ARPathway2016_829 Fenaminosulf 140-56-7 DTXSID6040371 FLAG: Wrong direction shift (Hit/Hit) -1.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CN(C)C1=CC=C(C=C1)N=NS([O-])(=O)=O Fenaminosulf 140-56-7|Fenaminosulf|(4-(Dimethylamino)phenyl)diazenesulfonic acid, sodium salt|4-((Dimethylamino)phenyl)diazenesulphonic acid, sodium salt|4-Dimethylaminobenzenediazosulfonic acid, sodium salt|4-Dimethylaminobenzenediazosulphonic acid, sodium salt|4-Dimethylaminophenyl diazene sulfonate, sodium salt|Bayer 22555|Benzenediazosulfonic acid, p-(dimethylamino)-, sodium salt|Caswell No. 359B|Deksonal|Dexoxon|Diazenesulfonic acid, [4-(dimethylamino)phenyl]-, sodium salt|Diazenesulfonic acid, 2-[4-(dimethylamino)phenyl]-, sodium salt (1:1)|Diazoben|EINECS 205-419-4|EPA Pesticide Chemical Code 034201|Gold Orange MP|N,N-Dimethyl-p-anilinediazosulfonic acid sodium salt|NCI-C03010|p-(Dimethylamino)-phenyldiazo-natriumsulfonat|p-(Dimethylamino)benzenediazosulfonate|p-(Dimethylamino)benzenediazosulphonate|p-(Dimethylamino)benzenediazosulphonic acid, sodium salt|p-Dimethylaminobenzene diazo sodium sulfonate|p-Dimethylaminobenzenediazo sodium sulfonate|p-Dimethylaminobenzenediazosodium sulphonate|p-Dimethylaminobenzenediazosulfonic acid, sodium https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040371 https://doi.org/10.22427/NTP-DATA-DTXSID6040371
ERPathway2016 ERPathway2016_1298 Fenaminosulf 140-56-7 DTXSID6040371 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CN(C)C1=CC=C(C=C1)N=NS([O-])(=O)=O Fenaminosulf 140-56-7|Fenaminosulf|(4-(Dimethylamino)phenyl)diazenesulfonic acid, sodium salt|4-((Dimethylamino)phenyl)diazenesulphonic acid, sodium salt|4-Dimethylaminobenzenediazosulfonic acid, sodium salt|4-Dimethylaminobenzenediazosulphonic acid, sodium salt|4-Dimethylaminophenyl diazene sulfonate, sodium salt|Bayer 22555|Benzenediazosulfonic acid, p-(dimethylamino)-, sodium salt|Caswell No. 359B|Deksonal|Dexoxon|Diazenesulfonic acid, [4-(dimethylamino)phenyl]-, sodium salt|Diazenesulfonic acid, 2-[4-(dimethylamino)phenyl]-, sodium salt (1:1)|Diazoben|EINECS 205-419-4|EPA Pesticide Chemical Code 034201|Gold Orange MP|N,N-Dimethyl-p-anilinediazosulfonic acid sodium salt|NCI-C03010|p-(Dimethylamino)-phenyldiazo-natriumsulfonat|p-(Dimethylamino)benzenediazosulfonate|p-(Dimethylamino)benzenediazosulphonate|p-(Dimethylamino)benzenediazosulphonic acid, sodium salt|p-Dimethylaminobenzene diazo sodium sulfonate|p-Dimethylaminobenzenediazo sodium sulfonate|p-Dimethylaminobenzenediazosodium sulphonate|p-Dimethylaminobenzenediazosulfonic acid, sodium https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040371 https://doi.org/10.22427/NTP-DATA-DTXSID6040371
ERPathway2016 ERPathway2016_1298 Fenaminosulf 140-56-7 DTXSID6040371 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CN(C)C1=CC=C(C=C1)N=NS([O-])(=O)=O Fenaminosulf 140-56-7|Fenaminosulf|(4-(Dimethylamino)phenyl)diazenesulfonic acid, sodium salt|4-((Dimethylamino)phenyl)diazenesulphonic acid, sodium salt|4-Dimethylaminobenzenediazosulfonic acid, sodium salt|4-Dimethylaminobenzenediazosulphonic acid, sodium salt|4-Dimethylaminophenyl diazene sulfonate, sodium salt|Bayer 22555|Benzenediazosulfonic acid, p-(dimethylamino)-, sodium salt|Caswell No. 359B|Deksonal|Dexoxon|Diazenesulfonic acid, [4-(dimethylamino)phenyl]-, sodium salt|Diazenesulfonic acid, 2-[4-(dimethylamino)phenyl]-, sodium salt (1:1)|Diazoben|EINECS 205-419-4|EPA Pesticide Chemical Code 034201|Gold Orange MP|N,N-Dimethyl-p-anilinediazosulfonic acid sodium salt|NCI-C03010|p-(Dimethylamino)-phenyldiazo-natriumsulfonat|p-(Dimethylamino)benzenediazosulfonate|p-(Dimethylamino)benzenediazosulphonate|p-(Dimethylamino)benzenediazosulphonic acid, sodium salt|p-Dimethylaminobenzene diazo sodium sulfonate|p-Dimethylaminobenzenediazo sodium sulfonate|p-Dimethylaminobenzenediazosodium sulphonate|p-Dimethylaminobenzenediazosulfonic acid, sodium https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040371 https://doi.org/10.22427/NTP-DATA-DTXSID6040371
ERPathway2016 ERPathway2016_1298 Fenaminosulf 140-56-7 DTXSID6040371 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CN(C)C1=CC=C(C=C1)N=NS([O-])(=O)=O Fenaminosulf 140-56-7|Fenaminosulf|(4-(Dimethylamino)phenyl)diazenesulfonic acid, sodium salt|4-((Dimethylamino)phenyl)diazenesulphonic acid, sodium salt|4-Dimethylaminobenzenediazosulfonic acid, sodium salt|4-Dimethylaminobenzenediazosulphonic acid, sodium salt|4-Dimethylaminophenyl diazene sulfonate, sodium salt|Bayer 22555|Benzenediazosulfonic acid, p-(dimethylamino)-, sodium salt|Caswell No. 359B|Deksonal|Dexoxon|Diazenesulfonic acid, [4-(dimethylamino)phenyl]-, sodium salt|Diazenesulfonic acid, 2-[4-(dimethylamino)phenyl]-, sodium salt (1:1)|Diazoben|EINECS 205-419-4|EPA Pesticide Chemical Code 034201|Gold Orange MP|N,N-Dimethyl-p-anilinediazosulfonic acid sodium salt|NCI-C03010|p-(Dimethylamino)-phenyldiazo-natriumsulfonat|p-(Dimethylamino)benzenediazosulfonate|p-(Dimethylamino)benzenediazosulphonate|p-(Dimethylamino)benzenediazosulphonic acid, sodium salt|p-Dimethylaminobenzene diazo sodium sulfonate|p-Dimethylaminobenzenediazo sodium sulfonate|p-Dimethylaminobenzenediazosodium sulphonate|p-Dimethylaminobenzenediazosulfonic acid, sodium https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040371 https://doi.org/10.22427/NTP-DATA-DTXSID6040371
ERPathway2016 ERPathway2016_1298 Fenaminosulf 140-56-7 DTXSID6040371 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CN(C)C1=CC=C(C=C1)N=NS([O-])(=O)=O Fenaminosulf 140-56-7|Fenaminosulf|(4-(Dimethylamino)phenyl)diazenesulfonic acid, sodium salt|4-((Dimethylamino)phenyl)diazenesulphonic acid, sodium salt|4-Dimethylaminobenzenediazosulfonic acid, sodium salt|4-Dimethylaminobenzenediazosulphonic acid, sodium salt|4-Dimethylaminophenyl diazene sulfonate, sodium salt|Bayer 22555|Benzenediazosulfonic acid, p-(dimethylamino)-, sodium salt|Caswell No. 359B|Deksonal|Dexoxon|Diazenesulfonic acid, [4-(dimethylamino)phenyl]-, sodium salt|Diazenesulfonic acid, 2-[4-(dimethylamino)phenyl]-, sodium salt (1:1)|Diazoben|EINECS 205-419-4|EPA Pesticide Chemical Code 034201|Gold Orange MP|N,N-Dimethyl-p-anilinediazosulfonic acid sodium salt|NCI-C03010|p-(Dimethylamino)-phenyldiazo-natriumsulfonat|p-(Dimethylamino)benzenediazosulfonate|p-(Dimethylamino)benzenediazosulphonate|p-(Dimethylamino)benzenediazosulphonic acid, sodium salt|p-Dimethylaminobenzene diazo sodium sulfonate|p-Dimethylaminobenzenediazo sodium sulfonate|p-Dimethylaminobenzenediazosodium sulphonate|p-Dimethylaminobenzenediazosulfonic acid, sodium https://comptox.epa.gov/dashboard/chemical/details/DTXSID6040371 https://doi.org/10.22427/NTP-DATA-DTXSID6040371
ARPathway2016 ARPathway2016_1009 Fenamiphos 22224-92-6 DTXSID3024102 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless CCOP(=O)(NC(C)C)OC1=CC=C(SC)C(C)=C1 Fenamiphos 22224-92-6|Fenamiphos|1-(Methylethyl)-ethyl 3-methyl-4-(methylthio)phenyl phosphoramidate|BAY sra 3886|Bayer 68138|BRN 4752893|Caswell No. 453A|EINECS 244-848-1|EPA Pesticide Chemical Code 100601|ethyl 3-methyl-4-(methylsulfanyl)phenyl (1-methylethyl)amidophosphate|Ethyl 3-methyl-4-(methylthio)phenyl (1-methylethyl)phosphoramidate|ethyl 3-methyl-4-(methylthio)phenyl isopropylphosphoramidate|Ethyl 3-methyl-4-methylthiophenyl N-isopropylphosphoramidate|Ethyl 4-(methylthio)-m-tolyl isopropylphosphoramidate|Ethyl-3-methyl-4-(methylthio)phenyl(1-methylethyl)phosphoramidate|fenamifos|Fenamithion|Isopropylamino-O-ethyl-(4-methylmercapto-3-methylphenyl)phosphate|methaphenamiphos|Nemacur|Nemacur P|NSC 195106|O-Aethyl-O-(3-methyl-4-methylthiophenyl)-isopropylamido-phosphorsaeureester|Phenamiphos|Phosphoramidic acid, (1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester|Phosphoramidic acid, isopropyl-, ethyl 4-(methylthio)-m-tolyl ester|Phosphoramidic acid, N-(1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester|UNII-H4NO3L2HBE https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024102 https://doi.org/10.22427/NTP-DATA-DTXSID3024102
ARPathway2016 ARPathway2016_1009 Fenamiphos 22224-92-6 DTXSID3024102 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=O)(NC(C)C)OC1=CC=C(SC)C(C)=C1 Fenamiphos 22224-92-6|Fenamiphos|1-(Methylethyl)-ethyl 3-methyl-4-(methylthio)phenyl phosphoramidate|BAY sra 3886|Bayer 68138|BRN 4752893|Caswell No. 453A|EINECS 244-848-1|EPA Pesticide Chemical Code 100601|ethyl 3-methyl-4-(methylsulfanyl)phenyl (1-methylethyl)amidophosphate|Ethyl 3-methyl-4-(methylthio)phenyl (1-methylethyl)phosphoramidate|ethyl 3-methyl-4-(methylthio)phenyl isopropylphosphoramidate|Ethyl 3-methyl-4-methylthiophenyl N-isopropylphosphoramidate|Ethyl 4-(methylthio)-m-tolyl isopropylphosphoramidate|Ethyl-3-methyl-4-(methylthio)phenyl(1-methylethyl)phosphoramidate|fenamifos|Fenamithion|Isopropylamino-O-ethyl-(4-methylmercapto-3-methylphenyl)phosphate|methaphenamiphos|Nemacur|Nemacur P|NSC 195106|O-Aethyl-O-(3-methyl-4-methylthiophenyl)-isopropylamido-phosphorsaeureester|Phenamiphos|Phosphoramidic acid, (1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester|Phosphoramidic acid, isopropyl-, ethyl 4-(methylthio)-m-tolyl ester|Phosphoramidic acid, N-(1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester|UNII-H4NO3L2HBE https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024102 https://doi.org/10.22427/NTP-DATA-DTXSID3024102
ARPathway2016 ARPathway2016_1009 Fenamiphos 22224-92-6 DTXSID3024102 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Inactive Unitless CCOP(=O)(NC(C)C)OC1=CC=C(SC)C(C)=C1 Fenamiphos 22224-92-6|Fenamiphos|1-(Methylethyl)-ethyl 3-methyl-4-(methylthio)phenyl phosphoramidate|BAY sra 3886|Bayer 68138|BRN 4752893|Caswell No. 453A|EINECS 244-848-1|EPA Pesticide Chemical Code 100601|ethyl 3-methyl-4-(methylsulfanyl)phenyl (1-methylethyl)amidophosphate|Ethyl 3-methyl-4-(methylthio)phenyl (1-methylethyl)phosphoramidate|ethyl 3-methyl-4-(methylthio)phenyl isopropylphosphoramidate|Ethyl 3-methyl-4-methylthiophenyl N-isopropylphosphoramidate|Ethyl 4-(methylthio)-m-tolyl isopropylphosphoramidate|Ethyl-3-methyl-4-(methylthio)phenyl(1-methylethyl)phosphoramidate|fenamifos|Fenamithion|Isopropylamino-O-ethyl-(4-methylmercapto-3-methylphenyl)phosphate|methaphenamiphos|Nemacur|Nemacur P|NSC 195106|O-Aethyl-O-(3-methyl-4-methylthiophenyl)-isopropylamido-phosphorsaeureester|Phenamiphos|Phosphoramidic acid, (1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester|Phosphoramidic acid, isopropyl-, ethyl 4-(methylthio)-m-tolyl ester|Phosphoramidic acid, N-(1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester|UNII-H4NO3L2HBE https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024102 https://doi.org/10.22427/NTP-DATA-DTXSID3024102
ARPathway2016 ARPathway2016_1009 Fenamiphos 22224-92-6 DTXSID3024102 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=O)(NC(C)C)OC1=CC=C(SC)C(C)=C1 Fenamiphos 22224-92-6|Fenamiphos|1-(Methylethyl)-ethyl 3-methyl-4-(methylthio)phenyl phosphoramidate|BAY sra 3886|Bayer 68138|BRN 4752893|Caswell No. 453A|EINECS 244-848-1|EPA Pesticide Chemical Code 100601|ethyl 3-methyl-4-(methylsulfanyl)phenyl (1-methylethyl)amidophosphate|Ethyl 3-methyl-4-(methylthio)phenyl (1-methylethyl)phosphoramidate|ethyl 3-methyl-4-(methylthio)phenyl isopropylphosphoramidate|Ethyl 3-methyl-4-methylthiophenyl N-isopropylphosphoramidate|Ethyl 4-(methylthio)-m-tolyl isopropylphosphoramidate|Ethyl-3-methyl-4-(methylthio)phenyl(1-methylethyl)phosphoramidate|fenamifos|Fenamithion|Isopropylamino-O-ethyl-(4-methylmercapto-3-methylphenyl)phosphate|methaphenamiphos|Nemacur|Nemacur P|NSC 195106|O-Aethyl-O-(3-methyl-4-methylthiophenyl)-isopropylamido-phosphorsaeureester|Phenamiphos|Phosphoramidic acid, (1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester|Phosphoramidic acid, isopropyl-, ethyl 4-(methylthio)-m-tolyl ester|Phosphoramidic acid, N-(1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester|UNII-H4NO3L2HBE https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024102 https://doi.org/10.22427/NTP-DATA-DTXSID3024102
ERPathway2016 ERPathway2016_855 Fenamiphos 22224-92-6 DTXSID3024102 ER Pathway Model, Agonist Model Score 0 Unitless CCOP(=O)(NC(C)C)OC1=CC=C(SC)C(C)=C1 Fenamiphos 22224-92-6|Fenamiphos|1-(Methylethyl)-ethyl 3-methyl-4-(methylthio)phenyl phosphoramidate|BAY sra 3886|Bayer 68138|BRN 4752893|Caswell No. 453A|EINECS 244-848-1|EPA Pesticide Chemical Code 100601|ethyl 3-methyl-4-(methylsulfanyl)phenyl (1-methylethyl)amidophosphate|Ethyl 3-methyl-4-(methylthio)phenyl (1-methylethyl)phosphoramidate|ethyl 3-methyl-4-(methylthio)phenyl isopropylphosphoramidate|Ethyl 3-methyl-4-methylthiophenyl N-isopropylphosphoramidate|Ethyl 4-(methylthio)-m-tolyl isopropylphosphoramidate|Ethyl-3-methyl-4-(methylthio)phenyl(1-methylethyl)phosphoramidate|fenamifos|Fenamithion|Isopropylamino-O-ethyl-(4-methylmercapto-3-methylphenyl)phosphate|methaphenamiphos|Nemacur|Nemacur P|NSC 195106|O-Aethyl-O-(3-methyl-4-methylthiophenyl)-isopropylamido-phosphorsaeureester|Phenamiphos|Phosphoramidic acid, (1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester|Phosphoramidic acid, isopropyl-, ethyl 4-(methylthio)-m-tolyl ester|Phosphoramidic acid, N-(1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester|UNII-H4NO3L2HBE https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024102 https://doi.org/10.22427/NTP-DATA-DTXSID3024102
ERPathway2016 ERPathway2016_855 Fenamiphos 22224-92-6 DTXSID3024102 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=O)(NC(C)C)OC1=CC=C(SC)C(C)=C1 Fenamiphos 22224-92-6|Fenamiphos|1-(Methylethyl)-ethyl 3-methyl-4-(methylthio)phenyl phosphoramidate|BAY sra 3886|Bayer 68138|BRN 4752893|Caswell No. 453A|EINECS 244-848-1|EPA Pesticide Chemical Code 100601|ethyl 3-methyl-4-(methylsulfanyl)phenyl (1-methylethyl)amidophosphate|Ethyl 3-methyl-4-(methylthio)phenyl (1-methylethyl)phosphoramidate|ethyl 3-methyl-4-(methylthio)phenyl isopropylphosphoramidate|Ethyl 3-methyl-4-methylthiophenyl N-isopropylphosphoramidate|Ethyl 4-(methylthio)-m-tolyl isopropylphosphoramidate|Ethyl-3-methyl-4-(methylthio)phenyl(1-methylethyl)phosphoramidate|fenamifos|Fenamithion|Isopropylamino-O-ethyl-(4-methylmercapto-3-methylphenyl)phosphate|methaphenamiphos|Nemacur|Nemacur P|NSC 195106|O-Aethyl-O-(3-methyl-4-methylthiophenyl)-isopropylamido-phosphorsaeureester|Phenamiphos|Phosphoramidic acid, (1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester|Phosphoramidic acid, isopropyl-, ethyl 4-(methylthio)-m-tolyl ester|Phosphoramidic acid, N-(1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester|UNII-H4NO3L2HBE https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024102 https://doi.org/10.22427/NTP-DATA-DTXSID3024102
ERPathway2016 ERPathway2016_855 Fenamiphos 22224-92-6 DTXSID3024102 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=O)(NC(C)C)OC1=CC=C(SC)C(C)=C1 Fenamiphos 22224-92-6|Fenamiphos|1-(Methylethyl)-ethyl 3-methyl-4-(methylthio)phenyl phosphoramidate|BAY sra 3886|Bayer 68138|BRN 4752893|Caswell No. 453A|EINECS 244-848-1|EPA Pesticide Chemical Code 100601|ethyl 3-methyl-4-(methylsulfanyl)phenyl (1-methylethyl)amidophosphate|Ethyl 3-methyl-4-(methylthio)phenyl (1-methylethyl)phosphoramidate|ethyl 3-methyl-4-(methylthio)phenyl isopropylphosphoramidate|Ethyl 3-methyl-4-methylthiophenyl N-isopropylphosphoramidate|Ethyl 4-(methylthio)-m-tolyl isopropylphosphoramidate|Ethyl-3-methyl-4-(methylthio)phenyl(1-methylethyl)phosphoramidate|fenamifos|Fenamithion|Isopropylamino-O-ethyl-(4-methylmercapto-3-methylphenyl)phosphate|methaphenamiphos|Nemacur|Nemacur P|NSC 195106|O-Aethyl-O-(3-methyl-4-methylthiophenyl)-isopropylamido-phosphorsaeureester|Phenamiphos|Phosphoramidic acid, (1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester|Phosphoramidic acid, isopropyl-, ethyl 4-(methylthio)-m-tolyl ester|Phosphoramidic acid, N-(1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester|UNII-H4NO3L2HBE https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024102 https://doi.org/10.22427/NTP-DATA-DTXSID3024102
ERPathway2016 ERPathway2016_855 Fenamiphos 22224-92-6 DTXSID3024102 ER Pathway Model, Antagonist Call Inactive Unitless CCOP(=O)(NC(C)C)OC1=CC=C(SC)C(C)=C1 Fenamiphos 22224-92-6|Fenamiphos|1-(Methylethyl)-ethyl 3-methyl-4-(methylthio)phenyl phosphoramidate|BAY sra 3886|Bayer 68138|BRN 4752893|Caswell No. 453A|EINECS 244-848-1|EPA Pesticide Chemical Code 100601|ethyl 3-methyl-4-(methylsulfanyl)phenyl (1-methylethyl)amidophosphate|Ethyl 3-methyl-4-(methylthio)phenyl (1-methylethyl)phosphoramidate|ethyl 3-methyl-4-(methylthio)phenyl isopropylphosphoramidate|Ethyl 3-methyl-4-methylthiophenyl N-isopropylphosphoramidate|Ethyl 4-(methylthio)-m-tolyl isopropylphosphoramidate|Ethyl-3-methyl-4-(methylthio)phenyl(1-methylethyl)phosphoramidate|fenamifos|Fenamithion|Isopropylamino-O-ethyl-(4-methylmercapto-3-methylphenyl)phosphate|methaphenamiphos|Nemacur|Nemacur P|NSC 195106|O-Aethyl-O-(3-methyl-4-methylthiophenyl)-isopropylamido-phosphorsaeureester|Phenamiphos|Phosphoramidic acid, (1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester|Phosphoramidic acid, isopropyl-, ethyl 4-(methylthio)-m-tolyl ester|Phosphoramidic acid, N-(1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester|UNII-H4NO3L2HBE https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024102 https://doi.org/10.22427/NTP-DATA-DTXSID3024102
ARPathway2016 ARPathway2016_229 Fenarimol 60168-88-9 DTXSID2032390 True antagonist shift (Hit/Hit) 4.0 A11 AR Pathway Model, Agonist AC50 36.47393433 uM OC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl Fenarimol 60168-88-9|Fenarimol|(.+-.)-Fenarimol|(+-)-2,4'-Dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol|2,4'-Dichlor-a(pyrimidin-5-yl)benzhydrylalkohol|2,4'-Dichloro-a(pyrimidin-5-yl)benzhydryl alcohol|5-Pyrimidinemethanol, .alpha.-(2-chlorophenyl)-.alpha.-(4-chlorophenyl)-|5-Pyrimidinemethanol, alpha-(2-chlorophenyl)-alpha-(4-chlorophenyl)-|5-Pyrimidinemethanol, a-(2-chlorophenyl)-a-(4-chlorophenyl)-|alcohol 2,4'-dicloro-a(pirimidin-5-il)bencidrilico|Alcool 2,4'-dichloro-a-(pyrimidin-5-yl)benzhydrylique|alcool 2,4'-dichloro-a(pyrimidine-5-yl)benzhydrylique|alpha-(2-Chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol|BRN 5972869|Caswell No. 207AA|Compound 56722|EINECS 262-095-7|EL 222|EPA Pesticide Chemical Code 206600|Rimidin|Rubigan|Rubigan SC|UNII-O088GU930Q|a-(2-Chlorophenyl)-a-(4-chlorophenyl)-5-pyrimidinemethanol|1135442-57-7|162707-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032390
ARPathway2016 ARPathway2016_229 Fenarimol 60168-88-9 DTXSID2032390 True antagonist shift (Hit/Hit) 4.0 A11 AR Pathway Model, Agonist ACC 40.8615293743551 uM OC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl Fenarimol 60168-88-9|Fenarimol|(.+-.)-Fenarimol|(+-)-2,4'-Dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol|2,4'-Dichlor-a(pyrimidin-5-yl)benzhydrylalkohol|2,4'-Dichloro-a(pyrimidin-5-yl)benzhydryl alcohol|5-Pyrimidinemethanol, .alpha.-(2-chlorophenyl)-.alpha.-(4-chlorophenyl)-|5-Pyrimidinemethanol, alpha-(2-chlorophenyl)-alpha-(4-chlorophenyl)-|5-Pyrimidinemethanol, a-(2-chlorophenyl)-a-(4-chlorophenyl)-|alcohol 2,4'-dicloro-a(pirimidin-5-il)bencidrilico|Alcool 2,4'-dichloro-a-(pyrimidin-5-yl)benzhydrylique|alcool 2,4'-dichloro-a(pyrimidine-5-yl)benzhydrylique|alpha-(2-Chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol|BRN 5972869|Caswell No. 207AA|Compound 56722|EINECS 262-095-7|EL 222|EPA Pesticide Chemical Code 206600|Rimidin|Rubigan|Rubigan SC|UNII-O088GU930Q|a-(2-Chlorophenyl)-a-(4-chlorophenyl)-5-pyrimidinemethanol|1135442-57-7|162707-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032390
ARPathway2016 ARPathway2016_229 Fenarimol 60168-88-9 DTXSID2032390 True antagonist shift (Hit/Hit) 4.0 A11 AR Pathway Model, Antagonist Model Score 0.0446 Unitless OC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl Fenarimol 60168-88-9|Fenarimol|(.+-.)-Fenarimol|(+-)-2,4'-Dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol|2,4'-Dichlor-a(pyrimidin-5-yl)benzhydrylalkohol|2,4'-Dichloro-a(pyrimidin-5-yl)benzhydryl alcohol|5-Pyrimidinemethanol, .alpha.-(2-chlorophenyl)-.alpha.-(4-chlorophenyl)-|5-Pyrimidinemethanol, alpha-(2-chlorophenyl)-alpha-(4-chlorophenyl)-|5-Pyrimidinemethanol, a-(2-chlorophenyl)-a-(4-chlorophenyl)-|alcohol 2,4'-dicloro-a(pirimidin-5-il)bencidrilico|Alcool 2,4'-dichloro-a-(pyrimidin-5-yl)benzhydrylique|alcool 2,4'-dichloro-a(pyrimidine-5-yl)benzhydrylique|alpha-(2-Chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol|BRN 5972869|Caswell No. 207AA|Compound 56722|EINECS 262-095-7|EL 222|EPA Pesticide Chemical Code 206600|Rimidin|Rubigan|Rubigan SC|UNII-O088GU930Q|a-(2-Chlorophenyl)-a-(4-chlorophenyl)-5-pyrimidinemethanol|1135442-57-7|162707-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032390
ARPathway2016 ARPathway2016_229 Fenarimol 60168-88-9 DTXSID2032390 True antagonist shift (Hit/Hit) 4.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless OC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl Fenarimol 60168-88-9|Fenarimol|(.+-.)-Fenarimol|(+-)-2,4'-Dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol|2,4'-Dichlor-a(pyrimidin-5-yl)benzhydrylalkohol|2,4'-Dichloro-a(pyrimidin-5-yl)benzhydryl alcohol|5-Pyrimidinemethanol, .alpha.-(2-chlorophenyl)-.alpha.-(4-chlorophenyl)-|5-Pyrimidinemethanol, alpha-(2-chlorophenyl)-alpha-(4-chlorophenyl)-|5-Pyrimidinemethanol, a-(2-chlorophenyl)-a-(4-chlorophenyl)-|alcohol 2,4'-dicloro-a(pirimidin-5-il)bencidrilico|Alcool 2,4'-dichloro-a-(pyrimidin-5-yl)benzhydrylique|alcool 2,4'-dichloro-a(pyrimidine-5-yl)benzhydrylique|alpha-(2-Chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol|BRN 5972869|Caswell No. 207AA|Compound 56722|EINECS 262-095-7|EL 222|EPA Pesticide Chemical Code 206600|Rimidin|Rubigan|Rubigan SC|UNII-O088GU930Q|a-(2-Chlorophenyl)-a-(4-chlorophenyl)-5-pyrimidinemethanol|1135442-57-7|162707-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032390
ARPathway2016 ARPathway2016_229 Fenarimol 60168-88-9 DTXSID2032390 True antagonist shift (Hit/Hit) 4.0 A11 AR Pathway Model, Agonist Call Active Unitless OC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl Fenarimol 60168-88-9|Fenarimol|(.+-.)-Fenarimol|(+-)-2,4'-Dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol|2,4'-Dichlor-a(pyrimidin-5-yl)benzhydrylalkohol|2,4'-Dichloro-a(pyrimidin-5-yl)benzhydryl alcohol|5-Pyrimidinemethanol, .alpha.-(2-chlorophenyl)-.alpha.-(4-chlorophenyl)-|5-Pyrimidinemethanol, alpha-(2-chlorophenyl)-alpha-(4-chlorophenyl)-|5-Pyrimidinemethanol, a-(2-chlorophenyl)-a-(4-chlorophenyl)-|alcohol 2,4'-dicloro-a(pirimidin-5-il)bencidrilico|Alcool 2,4'-dichloro-a-(pyrimidin-5-yl)benzhydrylique|alcool 2,4'-dichloro-a(pyrimidine-5-yl)benzhydrylique|alpha-(2-Chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol|BRN 5972869|Caswell No. 207AA|Compound 56722|EINECS 262-095-7|EL 222|EPA Pesticide Chemical Code 206600|Rimidin|Rubigan|Rubigan SC|UNII-O088GU930Q|a-(2-Chlorophenyl)-a-(4-chlorophenyl)-5-pyrimidinemethanol|1135442-57-7|162707-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032390
ARPathway2016 ARPathway2016_229 Fenarimol 60168-88-9 DTXSID2032390 True antagonist shift (Hit/Hit) 4.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless OC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl Fenarimol 60168-88-9|Fenarimol|(.+-.)-Fenarimol|(+-)-2,4'-Dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol|2,4'-Dichlor-a(pyrimidin-5-yl)benzhydrylalkohol|2,4'-Dichloro-a(pyrimidin-5-yl)benzhydryl alcohol|5-Pyrimidinemethanol, .alpha.-(2-chlorophenyl)-.alpha.-(4-chlorophenyl)-|5-Pyrimidinemethanol, alpha-(2-chlorophenyl)-alpha-(4-chlorophenyl)-|5-Pyrimidinemethanol, a-(2-chlorophenyl)-a-(4-chlorophenyl)-|alcohol 2,4'-dicloro-a(pirimidin-5-il)bencidrilico|Alcool 2,4'-dichloro-a-(pyrimidin-5-yl)benzhydrylique|alcool 2,4'-dichloro-a(pyrimidine-5-yl)benzhydrylique|alpha-(2-Chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol|BRN 5972869|Caswell No. 207AA|Compound 56722|EINECS 262-095-7|EL 222|EPA Pesticide Chemical Code 206600|Rimidin|Rubigan|Rubigan SC|UNII-O088GU930Q|a-(2-Chlorophenyl)-a-(4-chlorophenyl)-5-pyrimidinemethanol|1135442-57-7|162707-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032390
ERPathway2016 ERPathway2016_231 Fenarimol 60168-88-9 DTXSID2032390 Agonist ER Pathway Model, Antagonist AC50 12.8966546219347 uM OC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl Fenarimol 60168-88-9|Fenarimol|(.+-.)-Fenarimol|(+-)-2,4'-Dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol|2,4'-Dichlor-a(pyrimidin-5-yl)benzhydrylalkohol|2,4'-Dichloro-a(pyrimidin-5-yl)benzhydryl alcohol|5-Pyrimidinemethanol, .alpha.-(2-chlorophenyl)-.alpha.-(4-chlorophenyl)-|5-Pyrimidinemethanol, alpha-(2-chlorophenyl)-alpha-(4-chlorophenyl)-|5-Pyrimidinemethanol, a-(2-chlorophenyl)-a-(4-chlorophenyl)-|alcohol 2,4'-dicloro-a(pirimidin-5-il)bencidrilico|Alcool 2,4'-dichloro-a-(pyrimidin-5-yl)benzhydrylique|alcool 2,4'-dichloro-a(pyrimidine-5-yl)benzhydrylique|alpha-(2-Chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol|BRN 5972869|Caswell No. 207AA|Compound 56722|EINECS 262-095-7|EL 222|EPA Pesticide Chemical Code 206600|Rimidin|Rubigan|Rubigan SC|UNII-O088GU930Q|a-(2-Chlorophenyl)-a-(4-chlorophenyl)-5-pyrimidinemethanol|1135442-57-7|162707-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032390
ERPathway2016 ERPathway2016_231 Fenarimol 60168-88-9 DTXSID2032390 Agonist ER Pathway Model, Antagonist ACC 9.98721302600318 uM OC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl Fenarimol 60168-88-9|Fenarimol|(.+-.)-Fenarimol|(+-)-2,4'-Dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol|2,4'-Dichlor-a(pyrimidin-5-yl)benzhydrylalkohol|2,4'-Dichloro-a(pyrimidin-5-yl)benzhydryl alcohol|5-Pyrimidinemethanol, .alpha.-(2-chlorophenyl)-.alpha.-(4-chlorophenyl)-|5-Pyrimidinemethanol, alpha-(2-chlorophenyl)-alpha-(4-chlorophenyl)-|5-Pyrimidinemethanol, a-(2-chlorophenyl)-a-(4-chlorophenyl)-|alcohol 2,4'-dicloro-a(pirimidin-5-il)bencidrilico|Alcool 2,4'-dichloro-a-(pyrimidin-5-yl)benzhydrylique|alcool 2,4'-dichloro-a(pyrimidine-5-yl)benzhydrylique|alpha-(2-Chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol|BRN 5972869|Caswell No. 207AA|Compound 56722|EINECS 262-095-7|EL 222|EPA Pesticide Chemical Code 206600|Rimidin|Rubigan|Rubigan SC|UNII-O088GU930Q|a-(2-Chlorophenyl)-a-(4-chlorophenyl)-5-pyrimidinemethanol|1135442-57-7|162707-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032390
ERPathway2016 ERPathway2016_231 Fenarimol 60168-88-9 DTXSID2032390 Agonist ER Pathway Model, Agonist Model Score 0.105 Unitless OC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl Fenarimol 60168-88-9|Fenarimol|(.+-.)-Fenarimol|(+-)-2,4'-Dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol|2,4'-Dichlor-a(pyrimidin-5-yl)benzhydrylalkohol|2,4'-Dichloro-a(pyrimidin-5-yl)benzhydryl alcohol|5-Pyrimidinemethanol, .alpha.-(2-chlorophenyl)-.alpha.-(4-chlorophenyl)-|5-Pyrimidinemethanol, alpha-(2-chlorophenyl)-alpha-(4-chlorophenyl)-|5-Pyrimidinemethanol, a-(2-chlorophenyl)-a-(4-chlorophenyl)-|alcohol 2,4'-dicloro-a(pirimidin-5-il)bencidrilico|Alcool 2,4'-dichloro-a-(pyrimidin-5-yl)benzhydrylique|alcool 2,4'-dichloro-a(pyrimidine-5-yl)benzhydrylique|alpha-(2-Chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol|BRN 5972869|Caswell No. 207AA|Compound 56722|EINECS 262-095-7|EL 222|EPA Pesticide Chemical Code 206600|Rimidin|Rubigan|Rubigan SC|UNII-O088GU930Q|a-(2-Chlorophenyl)-a-(4-chlorophenyl)-5-pyrimidinemethanol|1135442-57-7|162707-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032390
ERPathway2016 ERPathway2016_231 Fenarimol 60168-88-9 DTXSID2032390 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl Fenarimol 60168-88-9|Fenarimol|(.+-.)-Fenarimol|(+-)-2,4'-Dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol|2,4'-Dichlor-a(pyrimidin-5-yl)benzhydrylalkohol|2,4'-Dichloro-a(pyrimidin-5-yl)benzhydryl alcohol|5-Pyrimidinemethanol, .alpha.-(2-chlorophenyl)-.alpha.-(4-chlorophenyl)-|5-Pyrimidinemethanol, alpha-(2-chlorophenyl)-alpha-(4-chlorophenyl)-|5-Pyrimidinemethanol, a-(2-chlorophenyl)-a-(4-chlorophenyl)-|alcohol 2,4'-dicloro-a(pirimidin-5-il)bencidrilico|Alcool 2,4'-dichloro-a-(pyrimidin-5-yl)benzhydrylique|alcool 2,4'-dichloro-a(pyrimidine-5-yl)benzhydrylique|alpha-(2-Chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol|BRN 5972869|Caswell No. 207AA|Compound 56722|EINECS 262-095-7|EL 222|EPA Pesticide Chemical Code 206600|Rimidin|Rubigan|Rubigan SC|UNII-O088GU930Q|a-(2-Chlorophenyl)-a-(4-chlorophenyl)-5-pyrimidinemethanol|1135442-57-7|162707-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032390
ERPathway2016 ERPathway2016_231 Fenarimol 60168-88-9 DTXSID2032390 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl Fenarimol 60168-88-9|Fenarimol|(.+-.)-Fenarimol|(+-)-2,4'-Dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol|2,4'-Dichlor-a(pyrimidin-5-yl)benzhydrylalkohol|2,4'-Dichloro-a(pyrimidin-5-yl)benzhydryl alcohol|5-Pyrimidinemethanol, .alpha.-(2-chlorophenyl)-.alpha.-(4-chlorophenyl)-|5-Pyrimidinemethanol, alpha-(2-chlorophenyl)-alpha-(4-chlorophenyl)-|5-Pyrimidinemethanol, a-(2-chlorophenyl)-a-(4-chlorophenyl)-|alcohol 2,4'-dicloro-a(pirimidin-5-il)bencidrilico|Alcool 2,4'-dichloro-a-(pyrimidin-5-yl)benzhydrylique|alcool 2,4'-dichloro-a(pyrimidine-5-yl)benzhydrylique|alpha-(2-Chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol|BRN 5972869|Caswell No. 207AA|Compound 56722|EINECS 262-095-7|EL 222|EPA Pesticide Chemical Code 206600|Rimidin|Rubigan|Rubigan SC|UNII-O088GU930Q|a-(2-Chlorophenyl)-a-(4-chlorophenyl)-5-pyrimidinemethanol|1135442-57-7|162707-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032390
ERPathway2016 ERPathway2016_231 Fenarimol 60168-88-9 DTXSID2032390 Agonist ER Pathway Model, Antagonist Call Active Unitless OC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl Fenarimol 60168-88-9|Fenarimol|(.+-.)-Fenarimol|(+-)-2,4'-Dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol|2,4'-Dichlor-a(pyrimidin-5-yl)benzhydrylalkohol|2,4'-Dichloro-a(pyrimidin-5-yl)benzhydryl alcohol|5-Pyrimidinemethanol, .alpha.-(2-chlorophenyl)-.alpha.-(4-chlorophenyl)-|5-Pyrimidinemethanol, alpha-(2-chlorophenyl)-alpha-(4-chlorophenyl)-|5-Pyrimidinemethanol, a-(2-chlorophenyl)-a-(4-chlorophenyl)-|alcohol 2,4'-dicloro-a(pirimidin-5-il)bencidrilico|Alcool 2,4'-dichloro-a-(pyrimidin-5-yl)benzhydrylique|alcool 2,4'-dichloro-a(pyrimidine-5-yl)benzhydrylique|alpha-(2-Chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol|BRN 5972869|Caswell No. 207AA|Compound 56722|EINECS 262-095-7|EL 222|EPA Pesticide Chemical Code 206600|Rimidin|Rubigan|Rubigan SC|UNII-O088GU930Q|a-(2-Chlorophenyl)-a-(4-chlorophenyl)-5-pyrimidinemethanol|1135442-57-7|162707-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032390
ARPathway2016 ARPathway2016_915 Fenchol 1632-73-1 DTXSID1041970 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)C2CCC(C)(C2)C1O Fenchol 1632-73-1|Fenchol|1,3,3-Trimethyl-2-norbornanol|1,3,3-Trimethylbicyclo(2.2.1)heptan-2-ol|1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol|2-Fenchanol|2-Norbornanol, 1,3,3-trimethyl-|3,3-Dimethyl-8,9-dinorbornan-2-ol|3,3-dimethyl-8,9-dinorbornane-2-ol|Bicyclo[2.2.1] heptan- 2- ol, 1, 3, 3- trimethyl-|EINECS 216-639-5|FEMA No. 2480|Fenchyl alcohol|UNII-410Q2GK1HF|10378-33-3|2217-01-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041970
ARPathway2016 ARPathway2016_915 Fenchol 1632-73-1 DTXSID1041970 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)C2CCC(C)(C2)C1O Fenchol 1632-73-1|Fenchol|1,3,3-Trimethyl-2-norbornanol|1,3,3-Trimethylbicyclo(2.2.1)heptan-2-ol|1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol|2-Fenchanol|2-Norbornanol, 1,3,3-trimethyl-|3,3-Dimethyl-8,9-dinorbornan-2-ol|3,3-dimethyl-8,9-dinorbornane-2-ol|Bicyclo[2.2.1] heptan- 2- ol, 1, 3, 3- trimethyl-|EINECS 216-639-5|FEMA No. 2480|Fenchyl alcohol|UNII-410Q2GK1HF|10378-33-3|2217-01-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041970
ARPathway2016 ARPathway2016_915 Fenchol 1632-73-1 DTXSID1041970 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)C2CCC(C)(C2)C1O Fenchol 1632-73-1|Fenchol|1,3,3-Trimethyl-2-norbornanol|1,3,3-Trimethylbicyclo(2.2.1)heptan-2-ol|1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol|2-Fenchanol|2-Norbornanol, 1,3,3-trimethyl-|3,3-Dimethyl-8,9-dinorbornan-2-ol|3,3-dimethyl-8,9-dinorbornane-2-ol|Bicyclo[2.2.1] heptan- 2- ol, 1, 3, 3- trimethyl-|EINECS 216-639-5|FEMA No. 2480|Fenchyl alcohol|UNII-410Q2GK1HF|10378-33-3|2217-01-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041970
ARPathway2016 ARPathway2016_915 Fenchol 1632-73-1 DTXSID1041970 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)C2CCC(C)(C2)C1O Fenchol 1632-73-1|Fenchol|1,3,3-Trimethyl-2-norbornanol|1,3,3-Trimethylbicyclo(2.2.1)heptan-2-ol|1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol|2-Fenchanol|2-Norbornanol, 1,3,3-trimethyl-|3,3-Dimethyl-8,9-dinorbornan-2-ol|3,3-dimethyl-8,9-dinorbornane-2-ol|Bicyclo[2.2.1] heptan- 2- ol, 1, 3, 3- trimethyl-|EINECS 216-639-5|FEMA No. 2480|Fenchyl alcohol|UNII-410Q2GK1HF|10378-33-3|2217-01-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041970
ERPathway2016 ERPathway2016_1336 Fenchol 1632-73-1 DTXSID1041970 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)C2CCC(C)(C2)C1O Fenchol 1632-73-1|Fenchol|1,3,3-Trimethyl-2-norbornanol|1,3,3-Trimethylbicyclo(2.2.1)heptan-2-ol|1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol|2-Fenchanol|2-Norbornanol, 1,3,3-trimethyl-|3,3-Dimethyl-8,9-dinorbornan-2-ol|3,3-dimethyl-8,9-dinorbornane-2-ol|Bicyclo[2.2.1] heptan- 2- ol, 1, 3, 3- trimethyl-|EINECS 216-639-5|FEMA No. 2480|Fenchyl alcohol|UNII-410Q2GK1HF|10378-33-3|2217-01-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041970
ERPathway2016 ERPathway2016_1336 Fenchol 1632-73-1 DTXSID1041970 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)C2CCC(C)(C2)C1O Fenchol 1632-73-1|Fenchol|1,3,3-Trimethyl-2-norbornanol|1,3,3-Trimethylbicyclo(2.2.1)heptan-2-ol|1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol|2-Fenchanol|2-Norbornanol, 1,3,3-trimethyl-|3,3-Dimethyl-8,9-dinorbornan-2-ol|3,3-dimethyl-8,9-dinorbornane-2-ol|Bicyclo[2.2.1] heptan- 2- ol, 1, 3, 3- trimethyl-|EINECS 216-639-5|FEMA No. 2480|Fenchyl alcohol|UNII-410Q2GK1HF|10378-33-3|2217-01-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041970
ERPathway2016 ERPathway2016_1336 Fenchol 1632-73-1 DTXSID1041970 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)C2CCC(C)(C2)C1O Fenchol 1632-73-1|Fenchol|1,3,3-Trimethyl-2-norbornanol|1,3,3-Trimethylbicyclo(2.2.1)heptan-2-ol|1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol|2-Fenchanol|2-Norbornanol, 1,3,3-trimethyl-|3,3-Dimethyl-8,9-dinorbornan-2-ol|3,3-dimethyl-8,9-dinorbornane-2-ol|Bicyclo[2.2.1] heptan- 2- ol, 1, 3, 3- trimethyl-|EINECS 216-639-5|FEMA No. 2480|Fenchyl alcohol|UNII-410Q2GK1HF|10378-33-3|2217-01-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041970
ERPathway2016 ERPathway2016_1336 Fenchol 1632-73-1 DTXSID1041970 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)C2CCC(C)(C2)C1O Fenchol 1632-73-1|Fenchol|1,3,3-Trimethyl-2-norbornanol|1,3,3-Trimethylbicyclo(2.2.1)heptan-2-ol|1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol|2-Fenchanol|2-Norbornanol, 1,3,3-trimethyl-|3,3-Dimethyl-8,9-dinorbornan-2-ol|3,3-dimethyl-8,9-dinorbornane-2-ol|Bicyclo[2.2.1] heptan- 2- ol, 1, 3, 3- trimethyl-|EINECS 216-639-5|FEMA No. 2480|Fenchyl alcohol|UNII-410Q2GK1HF|10378-33-3|2217-01-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041970
ARPathway2016 ARPathway2016_47 Fenhexamid 126833-17-8 DTXSID3032549 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 10.8250148901507 uM CC1(CCCCC1)C(=O)NC1=C(Cl)C(Cl)=C(O)C=C1 Fenhexamid 126833-17-8|Fenhexamid|2',3'-dichloro-4'-hydroxy-1-methylcyclohexanecarboxanilide|Cyclohexanecarboxamide, N-(2,3-dichloro-4-hydroxyphenyl)-1-methyl-|Elevate|fenhexamide|KBR 2738|KBR-2738|N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide|N-(2,3-Dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide|UNII-Q68C3C9P1U|1135441-59-6|200960-81-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032549
ARPathway2016 ARPathway2016_47 Fenhexamid 126833-17-8 DTXSID3032549 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 25.6806726323903 uM CC1(CCCCC1)C(=O)NC1=C(Cl)C(Cl)=C(O)C=C1 Fenhexamid 126833-17-8|Fenhexamid|2',3'-dichloro-4'-hydroxy-1-methylcyclohexanecarboxanilide|Cyclohexanecarboxamide, N-(2,3-dichloro-4-hydroxyphenyl)-1-methyl-|Elevate|fenhexamide|KBR 2738|KBR-2738|N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide|N-(2,3-Dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide|UNII-Q68C3C9P1U|1135441-59-6|200960-81-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032549
ARPathway2016 ARPathway2016_47 Fenhexamid 126833-17-8 DTXSID3032549 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.214 Unitless CC1(CCCCC1)C(=O)NC1=C(Cl)C(Cl)=C(O)C=C1 Fenhexamid 126833-17-8|Fenhexamid|2',3'-dichloro-4'-hydroxy-1-methylcyclohexanecarboxanilide|Cyclohexanecarboxamide, N-(2,3-dichloro-4-hydroxyphenyl)-1-methyl-|Elevate|fenhexamide|KBR 2738|KBR-2738|N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide|N-(2,3-Dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide|UNII-Q68C3C9P1U|1135441-59-6|200960-81-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032549
ARPathway2016 ARPathway2016_47 Fenhexamid 126833-17-8 DTXSID3032549 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC1(CCCCC1)C(=O)NC1=C(Cl)C(Cl)=C(O)C=C1 Fenhexamid 126833-17-8|Fenhexamid|2',3'-dichloro-4'-hydroxy-1-methylcyclohexanecarboxanilide|Cyclohexanecarboxamide, N-(2,3-dichloro-4-hydroxyphenyl)-1-methyl-|Elevate|fenhexamide|KBR 2738|KBR-2738|N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide|N-(2,3-Dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide|UNII-Q68C3C9P1U|1135441-59-6|200960-81-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032549
ARPathway2016 ARPathway2016_47 Fenhexamid 126833-17-8 DTXSID3032549 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC1(CCCCC1)C(=O)NC1=C(Cl)C(Cl)=C(O)C=C1 Fenhexamid 126833-17-8|Fenhexamid|2',3'-dichloro-4'-hydroxy-1-methylcyclohexanecarboxanilide|Cyclohexanecarboxamide, N-(2,3-dichloro-4-hydroxyphenyl)-1-methyl-|Elevate|fenhexamide|KBR 2738|KBR-2738|N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide|N-(2,3-Dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide|UNII-Q68C3C9P1U|1135441-59-6|200960-81-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032549
ARPathway2016 ARPathway2016_47 Fenhexamid 126833-17-8 DTXSID3032549 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC1(CCCCC1)C(=O)NC1=C(Cl)C(Cl)=C(O)C=C1 Fenhexamid 126833-17-8|Fenhexamid|2',3'-dichloro-4'-hydroxy-1-methylcyclohexanecarboxanilide|Cyclohexanecarboxamide, N-(2,3-dichloro-4-hydroxyphenyl)-1-methyl-|Elevate|fenhexamide|KBR 2738|KBR-2738|N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide|N-(2,3-Dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide|UNII-Q68C3C9P1U|1135441-59-6|200960-81-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032549
ERPathway2016 ERPathway2016_215 Fenhexamid 126833-17-8 DTXSID3032549 Agonist ER Pathway Model, Antagonist AC50 24.6640619733024 uM CC1(CCCCC1)C(=O)NC1=C(Cl)C(Cl)=C(O)C=C1 Fenhexamid 126833-17-8|Fenhexamid|2',3'-dichloro-4'-hydroxy-1-methylcyclohexanecarboxanilide|Cyclohexanecarboxamide, N-(2,3-dichloro-4-hydroxyphenyl)-1-methyl-|Elevate|fenhexamide|KBR 2738|KBR-2738|N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide|N-(2,3-Dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide|UNII-Q68C3C9P1U|1135441-59-6|200960-81-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032549
ERPathway2016 ERPathway2016_215 Fenhexamid 126833-17-8 DTXSID3032549 Agonist ER Pathway Model, Antagonist ACC 12.7437366569453 uM CC1(CCCCC1)C(=O)NC1=C(Cl)C(Cl)=C(O)C=C1 Fenhexamid 126833-17-8|Fenhexamid|2',3'-dichloro-4'-hydroxy-1-methylcyclohexanecarboxanilide|Cyclohexanecarboxamide, N-(2,3-dichloro-4-hydroxyphenyl)-1-methyl-|Elevate|fenhexamide|KBR 2738|KBR-2738|N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide|N-(2,3-Dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide|UNII-Q68C3C9P1U|1135441-59-6|200960-81-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032549
ERPathway2016 ERPathway2016_215 Fenhexamid 126833-17-8 DTXSID3032549 Agonist ER Pathway Model, Agonist Model Score 0.148 Unitless CC1(CCCCC1)C(=O)NC1=C(Cl)C(Cl)=C(O)C=C1 Fenhexamid 126833-17-8|Fenhexamid|2',3'-dichloro-4'-hydroxy-1-methylcyclohexanecarboxanilide|Cyclohexanecarboxamide, N-(2,3-dichloro-4-hydroxyphenyl)-1-methyl-|Elevate|fenhexamide|KBR 2738|KBR-2738|N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide|N-(2,3-Dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide|UNII-Q68C3C9P1U|1135441-59-6|200960-81-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032549
ERPathway2016 ERPathway2016_215 Fenhexamid 126833-17-8 DTXSID3032549 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC1(CCCCC1)C(=O)NC1=C(Cl)C(Cl)=C(O)C=C1 Fenhexamid 126833-17-8|Fenhexamid|2',3'-dichloro-4'-hydroxy-1-methylcyclohexanecarboxanilide|Cyclohexanecarboxamide, N-(2,3-dichloro-4-hydroxyphenyl)-1-methyl-|Elevate|fenhexamide|KBR 2738|KBR-2738|N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide|N-(2,3-Dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide|UNII-Q68C3C9P1U|1135441-59-6|200960-81-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032549
ERPathway2016 ERPathway2016_215 Fenhexamid 126833-17-8 DTXSID3032549 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC1(CCCCC1)C(=O)NC1=C(Cl)C(Cl)=C(O)C=C1 Fenhexamid 126833-17-8|Fenhexamid|2',3'-dichloro-4'-hydroxy-1-methylcyclohexanecarboxanilide|Cyclohexanecarboxamide, N-(2,3-dichloro-4-hydroxyphenyl)-1-methyl-|Elevate|fenhexamide|KBR 2738|KBR-2738|N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide|N-(2,3-Dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide|UNII-Q68C3C9P1U|1135441-59-6|200960-81-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032549
ERPathway2016 ERPathway2016_215 Fenhexamid 126833-17-8 DTXSID3032549 Agonist ER Pathway Model, Antagonist Call Active Unitless CC1(CCCCC1)C(=O)NC1=C(Cl)C(Cl)=C(O)C=C1 Fenhexamid 126833-17-8|Fenhexamid|2',3'-dichloro-4'-hydroxy-1-methylcyclohexanecarboxanilide|Cyclohexanecarboxamide, N-(2,3-dichloro-4-hydroxyphenyl)-1-methyl-|Elevate|fenhexamide|KBR 2738|KBR-2738|N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide|N-(2,3-Dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide|UNII-Q68C3C9P1U|1135441-59-6|200960-81-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032549
ARPathway2016 ARPathway2016_40 Fenitrothion 122-14-5 DTXSID4032613 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 9.428841185 uM COP(=S)(OC)OC1=CC=C(C(C)=C1)[N+]([O-])=O Fenitrothion 122-14-5|Fenitrothion|3-Methyl-4-nitrophenyl dimethyl phosphorothioate|Accothion|Agriya 1050|Agrothion|Akotion|American cyanamid CL-47,300|Arbogal|Bayer 41831|Bayer S 5660|BRN 1887367|Caswell No. 373|Cekutrothion|Dimethyl (3-methyl-4-nitrophenyl) thiophosphate|Dimethyl 3-methyl-4-nitrophenyl phosphorothionate|Dimethyl 4-nitro-m-tolyl phosphorothionate|Dimethyl-(3-methyl-4-nitrophenyl)thiophosphate|EINECS 204-524-2|EPA Pesticide Chemical Code 105901|Falithion|Fenition|Fenitox|fenitrotion|Fentrothione|Fenutrithion|Folithion|Folithion EC 50|Insectigas F|m-Cresol, 4-nitro-, O-ester with O,O-dimethyl phosphorothioate|MEP|Metathion|Metathion E 50|Metathione|Metathionine|Metathionine E 50|Metathionine E50|Metation|Metation E 50|Metation E50|Methadion|Methylnitrophos|Mglawik F|Monsanto CP 47114|Nitrophos|Novathion|Nuvanol|O, O-Dimethyl-O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-DiMe O-(3-methyl-4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothiona|12764-87-3|54182-70-6|94650-98-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032613
ARPathway2016 ARPathway2016_40 Fenitrothion 122-14-5 DTXSID4032613 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 9.365276203 uM COP(=S)(OC)OC1=CC=C(C(C)=C1)[N+]([O-])=O Fenitrothion 122-14-5|Fenitrothion|3-Methyl-4-nitrophenyl dimethyl phosphorothioate|Accothion|Agriya 1050|Agrothion|Akotion|American cyanamid CL-47,300|Arbogal|Bayer 41831|Bayer S 5660|BRN 1887367|Caswell No. 373|Cekutrothion|Dimethyl (3-methyl-4-nitrophenyl) thiophosphate|Dimethyl 3-methyl-4-nitrophenyl phosphorothionate|Dimethyl 4-nitro-m-tolyl phosphorothionate|Dimethyl-(3-methyl-4-nitrophenyl)thiophosphate|EINECS 204-524-2|EPA Pesticide Chemical Code 105901|Falithion|Fenition|Fenitox|fenitrotion|Fentrothione|Fenutrithion|Folithion|Folithion EC 50|Insectigas F|m-Cresol, 4-nitro-, O-ester with O,O-dimethyl phosphorothioate|MEP|Metathion|Metathion E 50|Metathione|Metathionine|Metathionine E 50|Metathionine E50|Metation|Metation E 50|Metation E50|Methadion|Methylnitrophos|Mglawik F|Monsanto CP 47114|Nitrophos|Novathion|Nuvanol|O, O-Dimethyl-O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-DiMe O-(3-methyl-4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothiona|12764-87-3|54182-70-6|94650-98-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032613
ARPathway2016 ARPathway2016_40 Fenitrothion 122-14-5 DTXSID4032613 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.63 Unitless COP(=S)(OC)OC1=CC=C(C(C)=C1)[N+]([O-])=O Fenitrothion 122-14-5|Fenitrothion|3-Methyl-4-nitrophenyl dimethyl phosphorothioate|Accothion|Agriya 1050|Agrothion|Akotion|American cyanamid CL-47,300|Arbogal|Bayer 41831|Bayer S 5660|BRN 1887367|Caswell No. 373|Cekutrothion|Dimethyl (3-methyl-4-nitrophenyl) thiophosphate|Dimethyl 3-methyl-4-nitrophenyl phosphorothionate|Dimethyl 4-nitro-m-tolyl phosphorothionate|Dimethyl-(3-methyl-4-nitrophenyl)thiophosphate|EINECS 204-524-2|EPA Pesticide Chemical Code 105901|Falithion|Fenition|Fenitox|fenitrotion|Fentrothione|Fenutrithion|Folithion|Folithion EC 50|Insectigas F|m-Cresol, 4-nitro-, O-ester with O,O-dimethyl phosphorothioate|MEP|Metathion|Metathion E 50|Metathione|Metathionine|Metathionine E 50|Metathionine E50|Metation|Metation E 50|Metation E50|Methadion|Methylnitrophos|Mglawik F|Monsanto CP 47114|Nitrophos|Novathion|Nuvanol|O, O-Dimethyl-O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-DiMe O-(3-methyl-4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothiona|12764-87-3|54182-70-6|94650-98-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032613
ARPathway2016 ARPathway2016_40 Fenitrothion 122-14-5 DTXSID4032613 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless COP(=S)(OC)OC1=CC=C(C(C)=C1)[N+]([O-])=O Fenitrothion 122-14-5|Fenitrothion|3-Methyl-4-nitrophenyl dimethyl phosphorothioate|Accothion|Agriya 1050|Agrothion|Akotion|American cyanamid CL-47,300|Arbogal|Bayer 41831|Bayer S 5660|BRN 1887367|Caswell No. 373|Cekutrothion|Dimethyl (3-methyl-4-nitrophenyl) thiophosphate|Dimethyl 3-methyl-4-nitrophenyl phosphorothionate|Dimethyl 4-nitro-m-tolyl phosphorothionate|Dimethyl-(3-methyl-4-nitrophenyl)thiophosphate|EINECS 204-524-2|EPA Pesticide Chemical Code 105901|Falithion|Fenition|Fenitox|fenitrotion|Fentrothione|Fenutrithion|Folithion|Folithion EC 50|Insectigas F|m-Cresol, 4-nitro-, O-ester with O,O-dimethyl phosphorothioate|MEP|Metathion|Metathion E 50|Metathione|Metathionine|Metathionine E 50|Metathionine E50|Metation|Metation E 50|Metation E50|Methadion|Methylnitrophos|Mglawik F|Monsanto CP 47114|Nitrophos|Novathion|Nuvanol|O, O-Dimethyl-O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-DiMe O-(3-methyl-4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothiona|12764-87-3|54182-70-6|94650-98-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032613
ARPathway2016 ARPathway2016_40 Fenitrothion 122-14-5 DTXSID4032613 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless COP(=S)(OC)OC1=CC=C(C(C)=C1)[N+]([O-])=O Fenitrothion 122-14-5|Fenitrothion|3-Methyl-4-nitrophenyl dimethyl phosphorothioate|Accothion|Agriya 1050|Agrothion|Akotion|American cyanamid CL-47,300|Arbogal|Bayer 41831|Bayer S 5660|BRN 1887367|Caswell No. 373|Cekutrothion|Dimethyl (3-methyl-4-nitrophenyl) thiophosphate|Dimethyl 3-methyl-4-nitrophenyl phosphorothionate|Dimethyl 4-nitro-m-tolyl phosphorothionate|Dimethyl-(3-methyl-4-nitrophenyl)thiophosphate|EINECS 204-524-2|EPA Pesticide Chemical Code 105901|Falithion|Fenition|Fenitox|fenitrotion|Fentrothione|Fenutrithion|Folithion|Folithion EC 50|Insectigas F|m-Cresol, 4-nitro-, O-ester with O,O-dimethyl phosphorothioate|MEP|Metathion|Metathion E 50|Metathione|Metathionine|Metathionine E 50|Metathionine E50|Metation|Metation E 50|Metation E50|Methadion|Methylnitrophos|Mglawik F|Monsanto CP 47114|Nitrophos|Novathion|Nuvanol|O, O-Dimethyl-O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-DiMe O-(3-methyl-4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothiona|12764-87-3|54182-70-6|94650-98-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032613
ARPathway2016 ARPathway2016_40 Fenitrothion 122-14-5 DTXSID4032613 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless COP(=S)(OC)OC1=CC=C(C(C)=C1)[N+]([O-])=O Fenitrothion 122-14-5|Fenitrothion|3-Methyl-4-nitrophenyl dimethyl phosphorothioate|Accothion|Agriya 1050|Agrothion|Akotion|American cyanamid CL-47,300|Arbogal|Bayer 41831|Bayer S 5660|BRN 1887367|Caswell No. 373|Cekutrothion|Dimethyl (3-methyl-4-nitrophenyl) thiophosphate|Dimethyl 3-methyl-4-nitrophenyl phosphorothionate|Dimethyl 4-nitro-m-tolyl phosphorothionate|Dimethyl-(3-methyl-4-nitrophenyl)thiophosphate|EINECS 204-524-2|EPA Pesticide Chemical Code 105901|Falithion|Fenition|Fenitox|fenitrotion|Fentrothione|Fenutrithion|Folithion|Folithion EC 50|Insectigas F|m-Cresol, 4-nitro-, O-ester with O,O-dimethyl phosphorothioate|MEP|Metathion|Metathion E 50|Metathione|Metathionine|Metathionine E 50|Metathionine E50|Metation|Metation E 50|Metation E50|Methadion|Methylnitrophos|Mglawik F|Monsanto CP 47114|Nitrophos|Novathion|Nuvanol|O, O-Dimethyl-O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-DiMe O-(3-methyl-4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothiona|12764-87-3|54182-70-6|94650-98-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032613
ERPathway2016 ERPathway2016_537 Fenitrothion 122-14-5 DTXSID4032613 ER Pathway Model, Agonist Model Score 0 Unitless COP(=S)(OC)OC1=CC=C(C(C)=C1)[N+]([O-])=O Fenitrothion 122-14-5|Fenitrothion|3-Methyl-4-nitrophenyl dimethyl phosphorothioate|Accothion|Agriya 1050|Agrothion|Akotion|American cyanamid CL-47,300|Arbogal|Bayer 41831|Bayer S 5660|BRN 1887367|Caswell No. 373|Cekutrothion|Dimethyl (3-methyl-4-nitrophenyl) thiophosphate|Dimethyl 3-methyl-4-nitrophenyl phosphorothionate|Dimethyl 4-nitro-m-tolyl phosphorothionate|Dimethyl-(3-methyl-4-nitrophenyl)thiophosphate|EINECS 204-524-2|EPA Pesticide Chemical Code 105901|Falithion|Fenition|Fenitox|fenitrotion|Fentrothione|Fenutrithion|Folithion|Folithion EC 50|Insectigas F|m-Cresol, 4-nitro-, O-ester with O,O-dimethyl phosphorothioate|MEP|Metathion|Metathion E 50|Metathione|Metathionine|Metathionine E 50|Metathionine E50|Metation|Metation E 50|Metation E50|Methadion|Methylnitrophos|Mglawik F|Monsanto CP 47114|Nitrophos|Novathion|Nuvanol|O, O-Dimethyl-O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-DiMe O-(3-methyl-4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothiona|12764-87-3|54182-70-6|94650-98-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032613
ERPathway2016 ERPathway2016_537 Fenitrothion 122-14-5 DTXSID4032613 ER Pathway Model, Antagonist Model Score 0 Unitless COP(=S)(OC)OC1=CC=C(C(C)=C1)[N+]([O-])=O Fenitrothion 122-14-5|Fenitrothion|3-Methyl-4-nitrophenyl dimethyl phosphorothioate|Accothion|Agriya 1050|Agrothion|Akotion|American cyanamid CL-47,300|Arbogal|Bayer 41831|Bayer S 5660|BRN 1887367|Caswell No. 373|Cekutrothion|Dimethyl (3-methyl-4-nitrophenyl) thiophosphate|Dimethyl 3-methyl-4-nitrophenyl phosphorothionate|Dimethyl 4-nitro-m-tolyl phosphorothionate|Dimethyl-(3-methyl-4-nitrophenyl)thiophosphate|EINECS 204-524-2|EPA Pesticide Chemical Code 105901|Falithion|Fenition|Fenitox|fenitrotion|Fentrothione|Fenutrithion|Folithion|Folithion EC 50|Insectigas F|m-Cresol, 4-nitro-, O-ester with O,O-dimethyl phosphorothioate|MEP|Metathion|Metathion E 50|Metathione|Metathionine|Metathionine E 50|Metathionine E50|Metation|Metation E 50|Metation E50|Methadion|Methylnitrophos|Mglawik F|Monsanto CP 47114|Nitrophos|Novathion|Nuvanol|O, O-Dimethyl-O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-DiMe O-(3-methyl-4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothiona|12764-87-3|54182-70-6|94650-98-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032613
ERPathway2016 ERPathway2016_537 Fenitrothion 122-14-5 DTXSID4032613 ER Pathway Model, Agonist Call Inactive Unitless COP(=S)(OC)OC1=CC=C(C(C)=C1)[N+]([O-])=O Fenitrothion 122-14-5|Fenitrothion|3-Methyl-4-nitrophenyl dimethyl phosphorothioate|Accothion|Agriya 1050|Agrothion|Akotion|American cyanamid CL-47,300|Arbogal|Bayer 41831|Bayer S 5660|BRN 1887367|Caswell No. 373|Cekutrothion|Dimethyl (3-methyl-4-nitrophenyl) thiophosphate|Dimethyl 3-methyl-4-nitrophenyl phosphorothionate|Dimethyl 4-nitro-m-tolyl phosphorothionate|Dimethyl-(3-methyl-4-nitrophenyl)thiophosphate|EINECS 204-524-2|EPA Pesticide Chemical Code 105901|Falithion|Fenition|Fenitox|fenitrotion|Fentrothione|Fenutrithion|Folithion|Folithion EC 50|Insectigas F|m-Cresol, 4-nitro-, O-ester with O,O-dimethyl phosphorothioate|MEP|Metathion|Metathion E 50|Metathione|Metathionine|Metathionine E 50|Metathionine E50|Metation|Metation E 50|Metation E50|Methadion|Methylnitrophos|Mglawik F|Monsanto CP 47114|Nitrophos|Novathion|Nuvanol|O, O-Dimethyl-O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-DiMe O-(3-methyl-4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothiona|12764-87-3|54182-70-6|94650-98-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032613
ERPathway2016 ERPathway2016_537 Fenitrothion 122-14-5 DTXSID4032613 ER Pathway Model, Antagonist Call Inactive Unitless COP(=S)(OC)OC1=CC=C(C(C)=C1)[N+]([O-])=O Fenitrothion 122-14-5|Fenitrothion|3-Methyl-4-nitrophenyl dimethyl phosphorothioate|Accothion|Agriya 1050|Agrothion|Akotion|American cyanamid CL-47,300|Arbogal|Bayer 41831|Bayer S 5660|BRN 1887367|Caswell No. 373|Cekutrothion|Dimethyl (3-methyl-4-nitrophenyl) thiophosphate|Dimethyl 3-methyl-4-nitrophenyl phosphorothionate|Dimethyl 4-nitro-m-tolyl phosphorothionate|Dimethyl-(3-methyl-4-nitrophenyl)thiophosphate|EINECS 204-524-2|EPA Pesticide Chemical Code 105901|Falithion|Fenition|Fenitox|fenitrotion|Fentrothione|Fenutrithion|Folithion|Folithion EC 50|Insectigas F|m-Cresol, 4-nitro-, O-ester with O,O-dimethyl phosphorothioate|MEP|Metathion|Metathion E 50|Metathione|Metathionine|Metathionine E 50|Metathionine E50|Metation|Metation E 50|Metation E50|Methadion|Methylnitrophos|Mglawik F|Monsanto CP 47114|Nitrophos|Novathion|Nuvanol|O, O-Dimethyl-O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-DiMe O-(3-methyl-4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothiona|12764-87-3|54182-70-6|94650-98-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032613
ARPathway2016 ARPathway2016_185 Fenofibrate 49562-28-9 DTXSID2029874 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 27.51418641 uM CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 Fenofibrate 49562-28-9|Fenofibrate|2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester|2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1-methylethyl ester|Ankebin|BRN 2062462|Clorofibrate|EINECS 256-376-3|Elasterate|Elasterin|Fenobrate|Fenofibrat|fenofibrato|Fenofibratum|Fenogal|Fenoglide|Fenotard|Finofibrate|FNF|Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate|Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate|Isopropyl 2-(p-(p-chlorobenzoyl)phenoxy)-2-methylpropionate|Lipanthyl|Lipantil|Lipantil (TN)|Lipicard|Lipidex|Lipidil|Lipidil Supra|Lipifen|Lipirex|Lipoclar|Lipofen|Lipofene|Liposit|Luxacor|MeltDose|Nolipax|NSC 281319|Procetofen|Procetofene|Procetoken|Proctofene|Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethyl ester|Protolipan|Secalip|Sedufen|Tricor (TN)|Triglide|UNII-U202363UOS https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029874
ARPathway2016 ARPathway2016_185 Fenofibrate 49562-28-9 DTXSID2029874 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 28.55717885 uM CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 Fenofibrate 49562-28-9|Fenofibrate|2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester|2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1-methylethyl ester|Ankebin|BRN 2062462|Clorofibrate|EINECS 256-376-3|Elasterate|Elasterin|Fenobrate|Fenofibrat|fenofibrato|Fenofibratum|Fenogal|Fenoglide|Fenotard|Finofibrate|FNF|Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate|Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate|Isopropyl 2-(p-(p-chlorobenzoyl)phenoxy)-2-methylpropionate|Lipanthyl|Lipantil|Lipantil (TN)|Lipicard|Lipidex|Lipidil|Lipidil Supra|Lipifen|Lipirex|Lipoclar|Lipofen|Lipofene|Liposit|Luxacor|MeltDose|Nolipax|NSC 281319|Procetofen|Procetofene|Procetoken|Proctofene|Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethyl ester|Protolipan|Secalip|Sedufen|Tricor (TN)|Triglide|UNII-U202363UOS https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029874
ARPathway2016 ARPathway2016_185 Fenofibrate 49562-28-9 DTXSID2029874 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0534 Unitless CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 Fenofibrate 49562-28-9|Fenofibrate|2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester|2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1-methylethyl ester|Ankebin|BRN 2062462|Clorofibrate|EINECS 256-376-3|Elasterate|Elasterin|Fenobrate|Fenofibrat|fenofibrato|Fenofibratum|Fenogal|Fenoglide|Fenotard|Finofibrate|FNF|Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate|Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate|Isopropyl 2-(p-(p-chlorobenzoyl)phenoxy)-2-methylpropionate|Lipanthyl|Lipantil|Lipantil (TN)|Lipicard|Lipidex|Lipidil|Lipidil Supra|Lipifen|Lipirex|Lipoclar|Lipofen|Lipofene|Liposit|Luxacor|MeltDose|Nolipax|NSC 281319|Procetofen|Procetofene|Procetoken|Proctofene|Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethyl ester|Protolipan|Secalip|Sedufen|Tricor (TN)|Triglide|UNII-U202363UOS https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029874
ARPathway2016 ARPathway2016_185 Fenofibrate 49562-28-9 DTXSID2029874 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 Fenofibrate 49562-28-9|Fenofibrate|2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester|2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1-methylethyl ester|Ankebin|BRN 2062462|Clorofibrate|EINECS 256-376-3|Elasterate|Elasterin|Fenobrate|Fenofibrat|fenofibrato|Fenofibratum|Fenogal|Fenoglide|Fenotard|Finofibrate|FNF|Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate|Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate|Isopropyl 2-(p-(p-chlorobenzoyl)phenoxy)-2-methylpropionate|Lipanthyl|Lipantil|Lipantil (TN)|Lipicard|Lipidex|Lipidil|Lipidil Supra|Lipifen|Lipirex|Lipoclar|Lipofen|Lipofene|Liposit|Luxacor|MeltDose|Nolipax|NSC 281319|Procetofen|Procetofene|Procetoken|Proctofene|Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethyl ester|Protolipan|Secalip|Sedufen|Tricor (TN)|Triglide|UNII-U202363UOS https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029874
ARPathway2016 ARPathway2016_185 Fenofibrate 49562-28-9 DTXSID2029874 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 Fenofibrate 49562-28-9|Fenofibrate|2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester|2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1-methylethyl ester|Ankebin|BRN 2062462|Clorofibrate|EINECS 256-376-3|Elasterate|Elasterin|Fenobrate|Fenofibrat|fenofibrato|Fenofibratum|Fenogal|Fenoglide|Fenotard|Finofibrate|FNF|Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate|Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate|Isopropyl 2-(p-(p-chlorobenzoyl)phenoxy)-2-methylpropionate|Lipanthyl|Lipantil|Lipantil (TN)|Lipicard|Lipidex|Lipidil|Lipidil Supra|Lipifen|Lipirex|Lipoclar|Lipofen|Lipofene|Liposit|Luxacor|MeltDose|Nolipax|NSC 281319|Procetofen|Procetofene|Procetoken|Proctofene|Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethyl ester|Protolipan|Secalip|Sedufen|Tricor (TN)|Triglide|UNII-U202363UOS https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029874
ARPathway2016 ARPathway2016_185 Fenofibrate 49562-28-9 DTXSID2029874 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 Fenofibrate 49562-28-9|Fenofibrate|2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester|2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1-methylethyl ester|Ankebin|BRN 2062462|Clorofibrate|EINECS 256-376-3|Elasterate|Elasterin|Fenobrate|Fenofibrat|fenofibrato|Fenofibratum|Fenogal|Fenoglide|Fenotard|Finofibrate|FNF|Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate|Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate|Isopropyl 2-(p-(p-chlorobenzoyl)phenoxy)-2-methylpropionate|Lipanthyl|Lipantil|Lipantil (TN)|Lipicard|Lipidex|Lipidil|Lipidil Supra|Lipifen|Lipirex|Lipoclar|Lipofen|Lipofene|Liposit|Luxacor|MeltDose|Nolipax|NSC 281319|Procetofen|Procetofene|Procetoken|Proctofene|Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethyl ester|Protolipan|Secalip|Sedufen|Tricor (TN)|Triglide|UNII-U202363UOS https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029874
ERPathway2016 ERPathway2016_541 Fenofibrate 49562-28-9 DTXSID2029874 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 Fenofibrate 49562-28-9|Fenofibrate|2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester|2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1-methylethyl ester|Ankebin|BRN 2062462|Clorofibrate|EINECS 256-376-3|Elasterate|Elasterin|Fenobrate|Fenofibrat|fenofibrato|Fenofibratum|Fenogal|Fenoglide|Fenotard|Finofibrate|FNF|Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate|Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate|Isopropyl 2-(p-(p-chlorobenzoyl)phenoxy)-2-methylpropionate|Lipanthyl|Lipantil|Lipantil (TN)|Lipicard|Lipidex|Lipidil|Lipidil Supra|Lipifen|Lipirex|Lipoclar|Lipofen|Lipofene|Liposit|Luxacor|MeltDose|Nolipax|NSC 281319|Procetofen|Procetofene|Procetoken|Proctofene|Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethyl ester|Protolipan|Secalip|Sedufen|Tricor (TN)|Triglide|UNII-U202363UOS https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029874
ERPathway2016 ERPathway2016_541 Fenofibrate 49562-28-9 DTXSID2029874 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 Fenofibrate 49562-28-9|Fenofibrate|2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester|2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1-methylethyl ester|Ankebin|BRN 2062462|Clorofibrate|EINECS 256-376-3|Elasterate|Elasterin|Fenobrate|Fenofibrat|fenofibrato|Fenofibratum|Fenogal|Fenoglide|Fenotard|Finofibrate|FNF|Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate|Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate|Isopropyl 2-(p-(p-chlorobenzoyl)phenoxy)-2-methylpropionate|Lipanthyl|Lipantil|Lipantil (TN)|Lipicard|Lipidex|Lipidil|Lipidil Supra|Lipifen|Lipirex|Lipoclar|Lipofen|Lipofene|Liposit|Luxacor|MeltDose|Nolipax|NSC 281319|Procetofen|Procetofene|Procetoken|Proctofene|Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethyl ester|Protolipan|Secalip|Sedufen|Tricor (TN)|Triglide|UNII-U202363UOS https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029874
ERPathway2016 ERPathway2016_541 Fenofibrate 49562-28-9 DTXSID2029874 ER Pathway Model, Agonist Call Inactive Unitless CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 Fenofibrate 49562-28-9|Fenofibrate|2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester|2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1-methylethyl ester|Ankebin|BRN 2062462|Clorofibrate|EINECS 256-376-3|Elasterate|Elasterin|Fenobrate|Fenofibrat|fenofibrato|Fenofibratum|Fenogal|Fenoglide|Fenotard|Finofibrate|FNF|Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate|Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate|Isopropyl 2-(p-(p-chlorobenzoyl)phenoxy)-2-methylpropionate|Lipanthyl|Lipantil|Lipantil (TN)|Lipicard|Lipidex|Lipidil|Lipidil Supra|Lipifen|Lipirex|Lipoclar|Lipofen|Lipofene|Liposit|Luxacor|MeltDose|Nolipax|NSC 281319|Procetofen|Procetofene|Procetoken|Proctofene|Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethyl ester|Protolipan|Secalip|Sedufen|Tricor (TN)|Triglide|UNII-U202363UOS https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029874
ERPathway2016 ERPathway2016_541 Fenofibrate 49562-28-9 DTXSID2029874 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 Fenofibrate 49562-28-9|Fenofibrate|2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester|2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1-methylethyl ester|Ankebin|BRN 2062462|Clorofibrate|EINECS 256-376-3|Elasterate|Elasterin|Fenobrate|Fenofibrat|fenofibrato|Fenofibratum|Fenogal|Fenoglide|Fenotard|Finofibrate|FNF|Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate|Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate|Isopropyl 2-(p-(p-chlorobenzoyl)phenoxy)-2-methylpropionate|Lipanthyl|Lipantil|Lipantil (TN)|Lipicard|Lipidex|Lipidil|Lipidil Supra|Lipifen|Lipirex|Lipoclar|Lipofen|Lipofene|Liposit|Luxacor|MeltDose|Nolipax|NSC 281319|Procetofen|Procetofene|Procetoken|Proctofene|Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethyl ester|Protolipan|Secalip|Sedufen|Tricor (TN)|Triglide|UNII-U202363UOS https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029874
ARPathway2016 ARPathway2016_1462 Fenoxaprop-ethyl 66441-23-4 DTXSID2032392 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1 Fenoxaprop-ethyl 66441-23-4|Fenoxaprop-ethyl|(+/-)-2-(4-((6-Chloro-2-benzoxazolyl)oxy)phenoxy)propanoic acid ethyl ester|(+/-)-Fenoxaprop-ethyl|Acclaim|Acclaim (herbicide)|BRN 1166633|Caswell No. 431C|EINECS 266-362-9|EPA Pesticide Chemical Code 128701|Ethyl (+/-)-2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)propanoate|Ethyl (D+)-2-(4-(6-chlor-2-benzoxazolyloxy)phenoxy)propanoate|Ethyl 2-[4-(6-chlorobenzoxazolyl-2-oxy)phenoxy]propionate|Ethyl-2-((4-(6-chloro-2-benzoxazolyloxy))-phenoxy)propionate|Fenoxaprop ethyl|Fenoxaprop ethyl ester|Furore|HOE 33171|HOE-A 25-01|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester,(+/-)-|Puma|Puma (herbicide)|Puma S|Tiller Herbicide|UNII-7U20WEM458|Whip|116573-18-3|82110-72-3|87714-45-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032392
ARPathway2016 ARPathway2016_1462 Fenoxaprop-ethyl 66441-23-4 DTXSID2032392 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1 Fenoxaprop-ethyl 66441-23-4|Fenoxaprop-ethyl|(+/-)-2-(4-((6-Chloro-2-benzoxazolyl)oxy)phenoxy)propanoic acid ethyl ester|(+/-)-Fenoxaprop-ethyl|Acclaim|Acclaim (herbicide)|BRN 1166633|Caswell No. 431C|EINECS 266-362-9|EPA Pesticide Chemical Code 128701|Ethyl (+/-)-2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)propanoate|Ethyl (D+)-2-(4-(6-chlor-2-benzoxazolyloxy)phenoxy)propanoate|Ethyl 2-[4-(6-chlorobenzoxazolyl-2-oxy)phenoxy]propionate|Ethyl-2-((4-(6-chloro-2-benzoxazolyloxy))-phenoxy)propionate|Fenoxaprop ethyl|Fenoxaprop ethyl ester|Furore|HOE 33171|HOE-A 25-01|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester,(+/-)-|Puma|Puma (herbicide)|Puma S|Tiller Herbicide|UNII-7U20WEM458|Whip|116573-18-3|82110-72-3|87714-45-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032392
ARPathway2016 ARPathway2016_1462 Fenoxaprop-ethyl 66441-23-4 DTXSID2032392 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1 Fenoxaprop-ethyl 66441-23-4|Fenoxaprop-ethyl|(+/-)-2-(4-((6-Chloro-2-benzoxazolyl)oxy)phenoxy)propanoic acid ethyl ester|(+/-)-Fenoxaprop-ethyl|Acclaim|Acclaim (herbicide)|BRN 1166633|Caswell No. 431C|EINECS 266-362-9|EPA Pesticide Chemical Code 128701|Ethyl (+/-)-2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)propanoate|Ethyl (D+)-2-(4-(6-chlor-2-benzoxazolyloxy)phenoxy)propanoate|Ethyl 2-[4-(6-chlorobenzoxazolyl-2-oxy)phenoxy]propionate|Ethyl-2-((4-(6-chloro-2-benzoxazolyloxy))-phenoxy)propionate|Fenoxaprop ethyl|Fenoxaprop ethyl ester|Furore|HOE 33171|HOE-A 25-01|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester,(+/-)-|Puma|Puma (herbicide)|Puma S|Tiller Herbicide|UNII-7U20WEM458|Whip|116573-18-3|82110-72-3|87714-45-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032392
ARPathway2016 ARPathway2016_1462 Fenoxaprop-ethyl 66441-23-4 DTXSID2032392 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1 Fenoxaprop-ethyl 66441-23-4|Fenoxaprop-ethyl|(+/-)-2-(4-((6-Chloro-2-benzoxazolyl)oxy)phenoxy)propanoic acid ethyl ester|(+/-)-Fenoxaprop-ethyl|Acclaim|Acclaim (herbicide)|BRN 1166633|Caswell No. 431C|EINECS 266-362-9|EPA Pesticide Chemical Code 128701|Ethyl (+/-)-2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)propanoate|Ethyl (D+)-2-(4-(6-chlor-2-benzoxazolyloxy)phenoxy)propanoate|Ethyl 2-[4-(6-chlorobenzoxazolyl-2-oxy)phenoxy]propionate|Ethyl-2-((4-(6-chloro-2-benzoxazolyloxy))-phenoxy)propionate|Fenoxaprop ethyl|Fenoxaprop ethyl ester|Furore|HOE 33171|HOE-A 25-01|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester,(+/-)-|Puma|Puma (herbicide)|Puma S|Tiller Herbicide|UNII-7U20WEM458|Whip|116573-18-3|82110-72-3|87714-45-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032392
ERPathway2016 ERPathway2016_657 Fenoxaprop-ethyl 66441-23-4 DTXSID2032392 A17 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1 Fenoxaprop-ethyl 66441-23-4|Fenoxaprop-ethyl|(+/-)-2-(4-((6-Chloro-2-benzoxazolyl)oxy)phenoxy)propanoic acid ethyl ester|(+/-)-Fenoxaprop-ethyl|Acclaim|Acclaim (herbicide)|BRN 1166633|Caswell No. 431C|EINECS 266-362-9|EPA Pesticide Chemical Code 128701|Ethyl (+/-)-2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)propanoate|Ethyl (D+)-2-(4-(6-chlor-2-benzoxazolyloxy)phenoxy)propanoate|Ethyl 2-[4-(6-chlorobenzoxazolyl-2-oxy)phenoxy]propionate|Ethyl-2-((4-(6-chloro-2-benzoxazolyloxy))-phenoxy)propionate|Fenoxaprop ethyl|Fenoxaprop ethyl ester|Furore|HOE 33171|HOE-A 25-01|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester,(+/-)-|Puma|Puma (herbicide)|Puma S|Tiller Herbicide|UNII-7U20WEM458|Whip|116573-18-3|82110-72-3|87714-45-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032392
ERPathway2016 ERPathway2016_657 Fenoxaprop-ethyl 66441-23-4 DTXSID2032392 A17 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1 Fenoxaprop-ethyl 66441-23-4|Fenoxaprop-ethyl|(+/-)-2-(4-((6-Chloro-2-benzoxazolyl)oxy)phenoxy)propanoic acid ethyl ester|(+/-)-Fenoxaprop-ethyl|Acclaim|Acclaim (herbicide)|BRN 1166633|Caswell No. 431C|EINECS 266-362-9|EPA Pesticide Chemical Code 128701|Ethyl (+/-)-2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)propanoate|Ethyl (D+)-2-(4-(6-chlor-2-benzoxazolyloxy)phenoxy)propanoate|Ethyl 2-[4-(6-chlorobenzoxazolyl-2-oxy)phenoxy]propionate|Ethyl-2-((4-(6-chloro-2-benzoxazolyloxy))-phenoxy)propionate|Fenoxaprop ethyl|Fenoxaprop ethyl ester|Furore|HOE 33171|HOE-A 25-01|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester,(+/-)-|Puma|Puma (herbicide)|Puma S|Tiller Herbicide|UNII-7U20WEM458|Whip|116573-18-3|82110-72-3|87714-45-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032392
ERPathway2016 ERPathway2016_657 Fenoxaprop-ethyl 66441-23-4 DTXSID2032392 A17 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1 Fenoxaprop-ethyl 66441-23-4|Fenoxaprop-ethyl|(+/-)-2-(4-((6-Chloro-2-benzoxazolyl)oxy)phenoxy)propanoic acid ethyl ester|(+/-)-Fenoxaprop-ethyl|Acclaim|Acclaim (herbicide)|BRN 1166633|Caswell No. 431C|EINECS 266-362-9|EPA Pesticide Chemical Code 128701|Ethyl (+/-)-2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)propanoate|Ethyl (D+)-2-(4-(6-chlor-2-benzoxazolyloxy)phenoxy)propanoate|Ethyl 2-[4-(6-chlorobenzoxazolyl-2-oxy)phenoxy]propionate|Ethyl-2-((4-(6-chloro-2-benzoxazolyloxy))-phenoxy)propionate|Fenoxaprop ethyl|Fenoxaprop ethyl ester|Furore|HOE 33171|HOE-A 25-01|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester,(+/-)-|Puma|Puma (herbicide)|Puma S|Tiller Herbicide|UNII-7U20WEM458|Whip|116573-18-3|82110-72-3|87714-45-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032392
ERPathway2016 ERPathway2016_657 Fenoxaprop-ethyl 66441-23-4 DTXSID2032392 A17 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1 Fenoxaprop-ethyl 66441-23-4|Fenoxaprop-ethyl|(+/-)-2-(4-((6-Chloro-2-benzoxazolyl)oxy)phenoxy)propanoic acid ethyl ester|(+/-)-Fenoxaprop-ethyl|Acclaim|Acclaim (herbicide)|BRN 1166633|Caswell No. 431C|EINECS 266-362-9|EPA Pesticide Chemical Code 128701|Ethyl (+/-)-2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)propanoate|Ethyl (D+)-2-(4-(6-chlor-2-benzoxazolyloxy)phenoxy)propanoate|Ethyl 2-[4-(6-chlorobenzoxazolyl-2-oxy)phenoxy]propionate|Ethyl-2-((4-(6-chloro-2-benzoxazolyloxy))-phenoxy)propionate|Fenoxaprop ethyl|Fenoxaprop ethyl ester|Furore|HOE 33171|HOE-A 25-01|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester,(+/-)-|Puma|Puma (herbicide)|Puma S|Tiller Herbicide|UNII-7U20WEM458|Whip|116573-18-3|82110-72-3|87714-45-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032392
ARPathway2016 ARPathway2016_1510 Fenoxaprop-P-ethyl 71283-80-2 DTXSID2034598 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)[C@@H](C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1 Fenoxaprop-P-ethyl 71283-80-2|Fenoxaprop-P-ethyl|(R)-Ethyl fenoxaprop|Acclaim Extra|Aclaim|AEF 04-6360|AEF 046360|Cheetah|EC No.: 615-273-7|Ethyl (2R)-2-[4-(6-chloro-2-benzoxazolyloxy)phenoxy]propionate|ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate|Exel Super|Fenoxaprop P-ethyl|Fenoxaprop-P ethyl ester|FENOXAPROP-P-AETHYLESTER|fenoxaprop-P-ethyl|Furore Super|HOE 046360|Imaspro|Isomero|Option Super|Primera Super|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (2R)-|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (R)-|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester,(R)-|Proper Energy|Pujing|Puma LS|Puma Super|Puma Universal|Ralon super|Ricestar|Super Whip|UNII-54CSW9U08K|Whip 360|Whip S|Whip Super|XL 71AG|1223013-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034598
ARPathway2016 ARPathway2016_1510 Fenoxaprop-P-ethyl 71283-80-2 DTXSID2034598 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)[C@@H](C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1 Fenoxaprop-P-ethyl 71283-80-2|Fenoxaprop-P-ethyl|(R)-Ethyl fenoxaprop|Acclaim Extra|Aclaim|AEF 04-6360|AEF 046360|Cheetah|EC No.: 615-273-7|Ethyl (2R)-2-[4-(6-chloro-2-benzoxazolyloxy)phenoxy]propionate|ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate|Exel Super|Fenoxaprop P-ethyl|Fenoxaprop-P ethyl ester|FENOXAPROP-P-AETHYLESTER|fenoxaprop-P-ethyl|Furore Super|HOE 046360|Imaspro|Isomero|Option Super|Primera Super|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (2R)-|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (R)-|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester,(R)-|Proper Energy|Pujing|Puma LS|Puma Super|Puma Universal|Ralon super|Ricestar|Super Whip|UNII-54CSW9U08K|Whip 360|Whip S|Whip Super|XL 71AG|1223013-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034598
ARPathway2016 ARPathway2016_1510 Fenoxaprop-P-ethyl 71283-80-2 DTXSID2034598 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)[C@@H](C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1 Fenoxaprop-P-ethyl 71283-80-2|Fenoxaprop-P-ethyl|(R)-Ethyl fenoxaprop|Acclaim Extra|Aclaim|AEF 04-6360|AEF 046360|Cheetah|EC No.: 615-273-7|Ethyl (2R)-2-[4-(6-chloro-2-benzoxazolyloxy)phenoxy]propionate|ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate|Exel Super|Fenoxaprop P-ethyl|Fenoxaprop-P ethyl ester|FENOXAPROP-P-AETHYLESTER|fenoxaprop-P-ethyl|Furore Super|HOE 046360|Imaspro|Isomero|Option Super|Primera Super|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (2R)-|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (R)-|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester,(R)-|Proper Energy|Pujing|Puma LS|Puma Super|Puma Universal|Ralon super|Ricestar|Super Whip|UNII-54CSW9U08K|Whip 360|Whip S|Whip Super|XL 71AG|1223013-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034598
ARPathway2016 ARPathway2016_1510 Fenoxaprop-P-ethyl 71283-80-2 DTXSID2034598 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)[C@@H](C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1 Fenoxaprop-P-ethyl 71283-80-2|Fenoxaprop-P-ethyl|(R)-Ethyl fenoxaprop|Acclaim Extra|Aclaim|AEF 04-6360|AEF 046360|Cheetah|EC No.: 615-273-7|Ethyl (2R)-2-[4-(6-chloro-2-benzoxazolyloxy)phenoxy]propionate|ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate|Exel Super|Fenoxaprop P-ethyl|Fenoxaprop-P ethyl ester|FENOXAPROP-P-AETHYLESTER|fenoxaprop-P-ethyl|Furore Super|HOE 046360|Imaspro|Isomero|Option Super|Primera Super|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (2R)-|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (R)-|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester,(R)-|Proper Energy|Pujing|Puma LS|Puma Super|Puma Universal|Ralon super|Ricestar|Super Whip|UNII-54CSW9U08K|Whip 360|Whip S|Whip Super|XL 71AG|1223013-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034598
ERPathway2016 ERPathway2016_614 Fenoxaprop-P-ethyl 71283-80-2 DTXSID2034598 A17 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)[C@@H](C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1 Fenoxaprop-P-ethyl 71283-80-2|Fenoxaprop-P-ethyl|(R)-Ethyl fenoxaprop|Acclaim Extra|Aclaim|AEF 04-6360|AEF 046360|Cheetah|EC No.: 615-273-7|Ethyl (2R)-2-[4-(6-chloro-2-benzoxazolyloxy)phenoxy]propionate|ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate|Exel Super|Fenoxaprop P-ethyl|Fenoxaprop-P ethyl ester|FENOXAPROP-P-AETHYLESTER|fenoxaprop-P-ethyl|Furore Super|HOE 046360|Imaspro|Isomero|Option Super|Primera Super|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (2R)-|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (R)-|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester,(R)-|Proper Energy|Pujing|Puma LS|Puma Super|Puma Universal|Ralon super|Ricestar|Super Whip|UNII-54CSW9U08K|Whip 360|Whip S|Whip Super|XL 71AG|1223013-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034598
ERPathway2016 ERPathway2016_614 Fenoxaprop-P-ethyl 71283-80-2 DTXSID2034598 A17 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)[C@@H](C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1 Fenoxaprop-P-ethyl 71283-80-2|Fenoxaprop-P-ethyl|(R)-Ethyl fenoxaprop|Acclaim Extra|Aclaim|AEF 04-6360|AEF 046360|Cheetah|EC No.: 615-273-7|Ethyl (2R)-2-[4-(6-chloro-2-benzoxazolyloxy)phenoxy]propionate|ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate|Exel Super|Fenoxaprop P-ethyl|Fenoxaprop-P ethyl ester|FENOXAPROP-P-AETHYLESTER|fenoxaprop-P-ethyl|Furore Super|HOE 046360|Imaspro|Isomero|Option Super|Primera Super|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (2R)-|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (R)-|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester,(R)-|Proper Energy|Pujing|Puma LS|Puma Super|Puma Universal|Ralon super|Ricestar|Super Whip|UNII-54CSW9U08K|Whip 360|Whip S|Whip Super|XL 71AG|1223013-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034598
ERPathway2016 ERPathway2016_614 Fenoxaprop-P-ethyl 71283-80-2 DTXSID2034598 A17 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)[C@@H](C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1 Fenoxaprop-P-ethyl 71283-80-2|Fenoxaprop-P-ethyl|(R)-Ethyl fenoxaprop|Acclaim Extra|Aclaim|AEF 04-6360|AEF 046360|Cheetah|EC No.: 615-273-7|Ethyl (2R)-2-[4-(6-chloro-2-benzoxazolyloxy)phenoxy]propionate|ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate|Exel Super|Fenoxaprop P-ethyl|Fenoxaprop-P ethyl ester|FENOXAPROP-P-AETHYLESTER|fenoxaprop-P-ethyl|Furore Super|HOE 046360|Imaspro|Isomero|Option Super|Primera Super|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (2R)-|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (R)-|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester,(R)-|Proper Energy|Pujing|Puma LS|Puma Super|Puma Universal|Ralon super|Ricestar|Super Whip|UNII-54CSW9U08K|Whip 360|Whip S|Whip Super|XL 71AG|1223013-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034598
ERPathway2016 ERPathway2016_614 Fenoxaprop-P-ethyl 71283-80-2 DTXSID2034598 A17 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)[C@@H](C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1 Fenoxaprop-P-ethyl 71283-80-2|Fenoxaprop-P-ethyl|(R)-Ethyl fenoxaprop|Acclaim Extra|Aclaim|AEF 04-6360|AEF 046360|Cheetah|EC No.: 615-273-7|Ethyl (2R)-2-[4-(6-chloro-2-benzoxazolyloxy)phenoxy]propionate|ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate|Exel Super|Fenoxaprop P-ethyl|Fenoxaprop-P ethyl ester|FENOXAPROP-P-AETHYLESTER|fenoxaprop-P-ethyl|Furore Super|HOE 046360|Imaspro|Isomero|Option Super|Primera Super|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (2R)-|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester, (R)-|Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester,(R)-|Proper Energy|Pujing|Puma LS|Puma Super|Puma Universal|Ralon super|Ricestar|Super Whip|UNII-54CSW9U08K|Whip 360|Whip S|Whip Super|XL 71AG|1223013-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034598
ARPathway2016 ARPathway2016_263 Fenoxycarb 72490-01-8 DTXSID7032393 True antagonist shift (Hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 36.8217431955657 uM CCOC(=O)NCCOC1=CC=C(OC2=CC=CC=C2)C=C1 Fenoxycarb 72490-01-8|Fenoxycarb|(2-(4-Phenoxyphenoxy)ethyl)carbamic acid ethyl ester|Caswell No. 652C|EINECS 276-696-7|EPA Pesticide Chemical Code 125301|Ethyl (2-(p-phenoxy)ethyl)carbamate|ethyl (2-(p-phenoxyphenoxy)ethyl)carbamate|Ethyl(2-(p-phenoxyphenoxy)ethyl)carbamate|Insegar|N-(2-(p-phenoxyphenoxy)ethyl)carbamic acid|O-ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate|UNII-JEN0LSV1G9|Varikill|79127-80-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032393
ARPathway2016 ARPathway2016_263 Fenoxycarb 72490-01-8 DTXSID7032393 True antagonist shift (Hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 37.7983504484173 uM CCOC(=O)NCCOC1=CC=C(OC2=CC=CC=C2)C=C1 Fenoxycarb 72490-01-8|Fenoxycarb|(2-(4-Phenoxyphenoxy)ethyl)carbamic acid ethyl ester|Caswell No. 652C|EINECS 276-696-7|EPA Pesticide Chemical Code 125301|Ethyl (2-(p-phenoxy)ethyl)carbamate|ethyl (2-(p-phenoxyphenoxy)ethyl)carbamate|Ethyl(2-(p-phenoxyphenoxy)ethyl)carbamate|Insegar|N-(2-(p-phenoxyphenoxy)ethyl)carbamic acid|O-ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate|UNII-JEN0LSV1G9|Varikill|79127-80-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032393
ARPathway2016 ARPathway2016_263 Fenoxycarb 72490-01-8 DTXSID7032393 True antagonist shift (Hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0762 Unitless CCOC(=O)NCCOC1=CC=C(OC2=CC=CC=C2)C=C1 Fenoxycarb 72490-01-8|Fenoxycarb|(2-(4-Phenoxyphenoxy)ethyl)carbamic acid ethyl ester|Caswell No. 652C|EINECS 276-696-7|EPA Pesticide Chemical Code 125301|Ethyl (2-(p-phenoxy)ethyl)carbamate|ethyl (2-(p-phenoxyphenoxy)ethyl)carbamate|Ethyl(2-(p-phenoxyphenoxy)ethyl)carbamate|Insegar|N-(2-(p-phenoxyphenoxy)ethyl)carbamic acid|O-ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate|UNII-JEN0LSV1G9|Varikill|79127-80-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032393
ARPathway2016 ARPathway2016_263 Fenoxycarb 72490-01-8 DTXSID7032393 True antagonist shift (Hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)NCCOC1=CC=C(OC2=CC=CC=C2)C=C1 Fenoxycarb 72490-01-8|Fenoxycarb|(2-(4-Phenoxyphenoxy)ethyl)carbamic acid ethyl ester|Caswell No. 652C|EINECS 276-696-7|EPA Pesticide Chemical Code 125301|Ethyl (2-(p-phenoxy)ethyl)carbamate|ethyl (2-(p-phenoxyphenoxy)ethyl)carbamate|Ethyl(2-(p-phenoxyphenoxy)ethyl)carbamate|Insegar|N-(2-(p-phenoxyphenoxy)ethyl)carbamic acid|O-ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate|UNII-JEN0LSV1G9|Varikill|79127-80-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032393
ARPathway2016 ARPathway2016_263 Fenoxycarb 72490-01-8 DTXSID7032393 True antagonist shift (Hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCOC(=O)NCCOC1=CC=C(OC2=CC=CC=C2)C=C1 Fenoxycarb 72490-01-8|Fenoxycarb|(2-(4-Phenoxyphenoxy)ethyl)carbamic acid ethyl ester|Caswell No. 652C|EINECS 276-696-7|EPA Pesticide Chemical Code 125301|Ethyl (2-(p-phenoxy)ethyl)carbamate|ethyl (2-(p-phenoxyphenoxy)ethyl)carbamate|Ethyl(2-(p-phenoxyphenoxy)ethyl)carbamate|Insegar|N-(2-(p-phenoxyphenoxy)ethyl)carbamic acid|O-ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate|UNII-JEN0LSV1G9|Varikill|79127-80-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032393
ARPathway2016 ARPathway2016_263 Fenoxycarb 72490-01-8 DTXSID7032393 True antagonist shift (Hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)NCCOC1=CC=C(OC2=CC=CC=C2)C=C1 Fenoxycarb 72490-01-8|Fenoxycarb|(2-(4-Phenoxyphenoxy)ethyl)carbamic acid ethyl ester|Caswell No. 652C|EINECS 276-696-7|EPA Pesticide Chemical Code 125301|Ethyl (2-(p-phenoxy)ethyl)carbamate|ethyl (2-(p-phenoxyphenoxy)ethyl)carbamate|Ethyl(2-(p-phenoxyphenoxy)ethyl)carbamate|Insegar|N-(2-(p-phenoxyphenoxy)ethyl)carbamic acid|O-ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate|UNII-JEN0LSV1G9|Varikill|79127-80-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032393
ERPathway2016 ERPathway2016_593 Fenoxycarb 72490-01-8 DTXSID7032393 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)NCCOC1=CC=C(OC2=CC=CC=C2)C=C1 Fenoxycarb 72490-01-8|Fenoxycarb|(2-(4-Phenoxyphenoxy)ethyl)carbamic acid ethyl ester|Caswell No. 652C|EINECS 276-696-7|EPA Pesticide Chemical Code 125301|Ethyl (2-(p-phenoxy)ethyl)carbamate|ethyl (2-(p-phenoxyphenoxy)ethyl)carbamate|Ethyl(2-(p-phenoxyphenoxy)ethyl)carbamate|Insegar|N-(2-(p-phenoxyphenoxy)ethyl)carbamic acid|O-ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate|UNII-JEN0LSV1G9|Varikill|79127-80-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032393
ERPathway2016 ERPathway2016_593 Fenoxycarb 72490-01-8 DTXSID7032393 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)NCCOC1=CC=C(OC2=CC=CC=C2)C=C1 Fenoxycarb 72490-01-8|Fenoxycarb|(2-(4-Phenoxyphenoxy)ethyl)carbamic acid ethyl ester|Caswell No. 652C|EINECS 276-696-7|EPA Pesticide Chemical Code 125301|Ethyl (2-(p-phenoxy)ethyl)carbamate|ethyl (2-(p-phenoxyphenoxy)ethyl)carbamate|Ethyl(2-(p-phenoxyphenoxy)ethyl)carbamate|Insegar|N-(2-(p-phenoxyphenoxy)ethyl)carbamic acid|O-ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate|UNII-JEN0LSV1G9|Varikill|79127-80-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032393
ERPathway2016 ERPathway2016_593 Fenoxycarb 72490-01-8 DTXSID7032393 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)NCCOC1=CC=C(OC2=CC=CC=C2)C=C1 Fenoxycarb 72490-01-8|Fenoxycarb|(2-(4-Phenoxyphenoxy)ethyl)carbamic acid ethyl ester|Caswell No. 652C|EINECS 276-696-7|EPA Pesticide Chemical Code 125301|Ethyl (2-(p-phenoxy)ethyl)carbamate|ethyl (2-(p-phenoxyphenoxy)ethyl)carbamate|Ethyl(2-(p-phenoxyphenoxy)ethyl)carbamate|Insegar|N-(2-(p-phenoxyphenoxy)ethyl)carbamic acid|O-ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate|UNII-JEN0LSV1G9|Varikill|79127-80-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032393
ERPathway2016 ERPathway2016_593 Fenoxycarb 72490-01-8 DTXSID7032393 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)NCCOC1=CC=C(OC2=CC=CC=C2)C=C1 Fenoxycarb 72490-01-8|Fenoxycarb|(2-(4-Phenoxyphenoxy)ethyl)carbamic acid ethyl ester|Caswell No. 652C|EINECS 276-696-7|EPA Pesticide Chemical Code 125301|Ethyl (2-(p-phenoxy)ethyl)carbamate|ethyl (2-(p-phenoxyphenoxy)ethyl)carbamate|Ethyl(2-(p-phenoxyphenoxy)ethyl)carbamate|Insegar|N-(2-(p-phenoxyphenoxy)ethyl)carbamic acid|O-ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate|UNII-JEN0LSV1G9|Varikill|79127-80-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032393
ARPathway2016 ARPathway2016_1189 Fenpropathrin 39515-41-8 DTXSID0024002 True antagonist shift (No hit/Hit) 2.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C Fenpropathrin 39515-41-8|Fenpropathrin|(.+-.)-Fenpropathrin|(+-)-Fenpropathrin|(RS)-Cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetrametkhylcyclopropanecarboxylate|2,2,3,3-tetramethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyle|2,2,3,3-Tetramethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester|2,2,3,3-tetrametilciclopropanocarboxilato de a-ciano-3-fenoxibencilo|Caswell No. 273H|Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|CYCLOPROPANECARBOXYLATE, 3-PHENOXYBENZYL- 2,2,3,3-TETRAMETHYL-, CYANO, (RS)-|Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, cyano(3-phenoxyphenyl)methyl ester|Danimen|Danitol|Danitol 10EC|Danitol fiori|EINECS 254-485-0|EPA Pesticide Chemical Code 127901|Fenpropanate|Kilumal|Meiothrin|Meothrin|Miothrin|Ortho Danitol|a-Cyan-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropancarboxylat|a-cyano-3-phenoxybenzyl 2,2,3,3-tetramethylcyclopropanecarboxylate|a-Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|64257-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024002
ARPathway2016 ARPathway2016_1189 Fenpropathrin 39515-41-8 DTXSID0024002 True antagonist shift (No hit/Hit) 2.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C Fenpropathrin 39515-41-8|Fenpropathrin|(.+-.)-Fenpropathrin|(+-)-Fenpropathrin|(RS)-Cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetrametkhylcyclopropanecarboxylate|2,2,3,3-tetramethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyle|2,2,3,3-Tetramethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester|2,2,3,3-tetrametilciclopropanocarboxilato de a-ciano-3-fenoxibencilo|Caswell No. 273H|Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|CYCLOPROPANECARBOXYLATE, 3-PHENOXYBENZYL- 2,2,3,3-TETRAMETHYL-, CYANO, (RS)-|Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, cyano(3-phenoxyphenyl)methyl ester|Danimen|Danitol|Danitol 10EC|Danitol fiori|EINECS 254-485-0|EPA Pesticide Chemical Code 127901|Fenpropanate|Kilumal|Meiothrin|Meothrin|Miothrin|Ortho Danitol|a-Cyan-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropancarboxylat|a-cyano-3-phenoxybenzyl 2,2,3,3-tetramethylcyclopropanecarboxylate|a-Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|64257-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024002
ARPathway2016 ARPathway2016_1189 Fenpropathrin 39515-41-8 DTXSID0024002 True antagonist shift (No hit/Hit) 2.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C Fenpropathrin 39515-41-8|Fenpropathrin|(.+-.)-Fenpropathrin|(+-)-Fenpropathrin|(RS)-Cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetrametkhylcyclopropanecarboxylate|2,2,3,3-tetramethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyle|2,2,3,3-Tetramethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester|2,2,3,3-tetrametilciclopropanocarboxilato de a-ciano-3-fenoxibencilo|Caswell No. 273H|Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|CYCLOPROPANECARBOXYLATE, 3-PHENOXYBENZYL- 2,2,3,3-TETRAMETHYL-, CYANO, (RS)-|Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, cyano(3-phenoxyphenyl)methyl ester|Danimen|Danitol|Danitol 10EC|Danitol fiori|EINECS 254-485-0|EPA Pesticide Chemical Code 127901|Fenpropanate|Kilumal|Meiothrin|Meothrin|Miothrin|Ortho Danitol|a-Cyan-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropancarboxylat|a-cyano-3-phenoxybenzyl 2,2,3,3-tetramethylcyclopropanecarboxylate|a-Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|64257-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024002
ARPathway2016 ARPathway2016_1189 Fenpropathrin 39515-41-8 DTXSID0024002 True antagonist shift (No hit/Hit) 2.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C Fenpropathrin 39515-41-8|Fenpropathrin|(.+-.)-Fenpropathrin|(+-)-Fenpropathrin|(RS)-Cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetrametkhylcyclopropanecarboxylate|2,2,3,3-tetramethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyle|2,2,3,3-Tetramethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester|2,2,3,3-tetrametilciclopropanocarboxilato de a-ciano-3-fenoxibencilo|Caswell No. 273H|Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|CYCLOPROPANECARBOXYLATE, 3-PHENOXYBENZYL- 2,2,3,3-TETRAMETHYL-, CYANO, (RS)-|Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, cyano(3-phenoxyphenyl)methyl ester|Danimen|Danitol|Danitol 10EC|Danitol fiori|EINECS 254-485-0|EPA Pesticide Chemical Code 127901|Fenpropanate|Kilumal|Meiothrin|Meothrin|Miothrin|Ortho Danitol|a-Cyan-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropancarboxylat|a-cyano-3-phenoxybenzyl 2,2,3,3-tetramethylcyclopropanecarboxylate|a-Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|64257-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024002
ERPathway2016 ERPathway2016_384 Fenpropathrin 39515-41-8 DTXSID0024002 ER Pathway Model, Antagonist AC50 19.4761771936781 uM CC1(C)C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C Fenpropathrin 39515-41-8|Fenpropathrin|(.+-.)-Fenpropathrin|(+-)-Fenpropathrin|(RS)-Cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetrametkhylcyclopropanecarboxylate|2,2,3,3-tetramethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyle|2,2,3,3-Tetramethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester|2,2,3,3-tetrametilciclopropanocarboxilato de a-ciano-3-fenoxibencilo|Caswell No. 273H|Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|CYCLOPROPANECARBOXYLATE, 3-PHENOXYBENZYL- 2,2,3,3-TETRAMETHYL-, CYANO, (RS)-|Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, cyano(3-phenoxyphenyl)methyl ester|Danimen|Danitol|Danitol 10EC|Danitol fiori|EINECS 254-485-0|EPA Pesticide Chemical Code 127901|Fenpropanate|Kilumal|Meiothrin|Meothrin|Miothrin|Ortho Danitol|a-Cyan-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropancarboxylat|a-cyano-3-phenoxybenzyl 2,2,3,3-tetramethylcyclopropanecarboxylate|a-Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|64257-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024002
ERPathway2016 ERPathway2016_384 Fenpropathrin 39515-41-8 DTXSID0024002 ER Pathway Model, Antagonist ACC 29.8082144513582 uM CC1(C)C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C Fenpropathrin 39515-41-8|Fenpropathrin|(.+-.)-Fenpropathrin|(+-)-Fenpropathrin|(RS)-Cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetrametkhylcyclopropanecarboxylate|2,2,3,3-tetramethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyle|2,2,3,3-Tetramethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester|2,2,3,3-tetrametilciclopropanocarboxilato de a-ciano-3-fenoxibencilo|Caswell No. 273H|Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|CYCLOPROPANECARBOXYLATE, 3-PHENOXYBENZYL- 2,2,3,3-TETRAMETHYL-, CYANO, (RS)-|Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, cyano(3-phenoxyphenyl)methyl ester|Danimen|Danitol|Danitol 10EC|Danitol fiori|EINECS 254-485-0|EPA Pesticide Chemical Code 127901|Fenpropanate|Kilumal|Meiothrin|Meothrin|Miothrin|Ortho Danitol|a-Cyan-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropancarboxylat|a-cyano-3-phenoxybenzyl 2,2,3,3-tetramethylcyclopropanecarboxylate|a-Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|64257-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024002
ERPathway2016 ERPathway2016_384 Fenpropathrin 39515-41-8 DTXSID0024002 ER Pathway Model, Agonist Model Score 0.0117 Unitless CC1(C)C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C Fenpropathrin 39515-41-8|Fenpropathrin|(.+-.)-Fenpropathrin|(+-)-Fenpropathrin|(RS)-Cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetrametkhylcyclopropanecarboxylate|2,2,3,3-tetramethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyle|2,2,3,3-Tetramethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester|2,2,3,3-tetrametilciclopropanocarboxilato de a-ciano-3-fenoxibencilo|Caswell No. 273H|Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|CYCLOPROPANECARBOXYLATE, 3-PHENOXYBENZYL- 2,2,3,3-TETRAMETHYL-, CYANO, (RS)-|Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, cyano(3-phenoxyphenyl)methyl ester|Danimen|Danitol|Danitol 10EC|Danitol fiori|EINECS 254-485-0|EPA Pesticide Chemical Code 127901|Fenpropanate|Kilumal|Meiothrin|Meothrin|Miothrin|Ortho Danitol|a-Cyan-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropancarboxylat|a-cyano-3-phenoxybenzyl 2,2,3,3-tetramethylcyclopropanecarboxylate|a-Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|64257-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024002
ERPathway2016 ERPathway2016_384 Fenpropathrin 39515-41-8 DTXSID0024002 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C Fenpropathrin 39515-41-8|Fenpropathrin|(.+-.)-Fenpropathrin|(+-)-Fenpropathrin|(RS)-Cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetrametkhylcyclopropanecarboxylate|2,2,3,3-tetramethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyle|2,2,3,3-Tetramethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester|2,2,3,3-tetrametilciclopropanocarboxilato de a-ciano-3-fenoxibencilo|Caswell No. 273H|Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|CYCLOPROPANECARBOXYLATE, 3-PHENOXYBENZYL- 2,2,3,3-TETRAMETHYL-, CYANO, (RS)-|Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, cyano(3-phenoxyphenyl)methyl ester|Danimen|Danitol|Danitol 10EC|Danitol fiori|EINECS 254-485-0|EPA Pesticide Chemical Code 127901|Fenpropanate|Kilumal|Meiothrin|Meothrin|Miothrin|Ortho Danitol|a-Cyan-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropancarboxylat|a-cyano-3-phenoxybenzyl 2,2,3,3-tetramethylcyclopropanecarboxylate|a-Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|64257-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024002
ERPathway2016 ERPathway2016_384 Fenpropathrin 39515-41-8 DTXSID0024002 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C Fenpropathrin 39515-41-8|Fenpropathrin|(.+-.)-Fenpropathrin|(+-)-Fenpropathrin|(RS)-Cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetrametkhylcyclopropanecarboxylate|2,2,3,3-tetramethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyle|2,2,3,3-Tetramethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester|2,2,3,3-tetrametilciclopropanocarboxilato de a-ciano-3-fenoxibencilo|Caswell No. 273H|Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|CYCLOPROPANECARBOXYLATE, 3-PHENOXYBENZYL- 2,2,3,3-TETRAMETHYL-, CYANO, (RS)-|Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, cyano(3-phenoxyphenyl)methyl ester|Danimen|Danitol|Danitol 10EC|Danitol fiori|EINECS 254-485-0|EPA Pesticide Chemical Code 127901|Fenpropanate|Kilumal|Meiothrin|Meothrin|Miothrin|Ortho Danitol|a-Cyan-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropancarboxylat|a-cyano-3-phenoxybenzyl 2,2,3,3-tetramethylcyclopropanecarboxylate|a-Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|64257-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024002
ERPathway2016 ERPathway2016_384 Fenpropathrin 39515-41-8 DTXSID0024002 ER Pathway Model, Antagonist Call Active Unitless CC1(C)C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C Fenpropathrin 39515-41-8|Fenpropathrin|(.+-.)-Fenpropathrin|(+-)-Fenpropathrin|(RS)-Cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetrametkhylcyclopropanecarboxylate|2,2,3,3-tetramethylcyclopropanecarboxylate de a-cyano-3-phenoxybenzyle|2,2,3,3-Tetramethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester|2,2,3,3-tetrametilciclopropanocarboxilato de a-ciano-3-fenoxibencilo|Caswell No. 273H|Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|CYCLOPROPANECARBOXYLATE, 3-PHENOXYBENZYL- 2,2,3,3-TETRAMETHYL-, CYANO, (RS)-|Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, cyano(3-phenoxyphenyl)methyl ester|Danimen|Danitol|Danitol 10EC|Danitol fiori|EINECS 254-485-0|EPA Pesticide Chemical Code 127901|Fenpropanate|Kilumal|Meiothrin|Meothrin|Miothrin|Ortho Danitol|a-Cyan-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropancarboxylat|a-cyano-3-phenoxybenzyl 2,2,3,3-tetramethylcyclopropanecarboxylate|a-Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate|64257-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024002
ARPathway2016 ARPathway2016_17 Fenpyroximate (Z,E) 111812-58-9 DTXSID2032550 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist AC50 37.3024176080233 uM CN1N=C(C)C(C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)=C1OC1=CC=CC=C1 Fenpyroximate (Z,E) 111812-58-9|Fenpyroximate (Z,E)|Benzoic acid, 4- [[[[(1, 3- dimethyl- 5- phenoxy- 1H- pyrazol- 4- yl) methylene] amino] oxy] methyl] - , 1, 1- dimethylethyl ester|EC No.: 601-123-8|Fenpyroximate, DL|tert-Butyl 4-({[(1,3-dimethyl-5-phenoxy-4-pyrazolyl)methylidene]aminooxy}methyl)benzoate|tert-butyl 4-[({[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032550
ARPathway2016 ARPathway2016_17 Fenpyroximate (Z,E) 111812-58-9 DTXSID2032550 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist ACC 18.2683755783732 uM CN1N=C(C)C(C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)=C1OC1=CC=CC=C1 Fenpyroximate (Z,E) 111812-58-9|Fenpyroximate (Z,E)|Benzoic acid, 4- [[[[(1, 3- dimethyl- 5- phenoxy- 1H- pyrazol- 4- yl) methylene] amino] oxy] methyl] - , 1, 1- dimethylethyl ester|EC No.: 601-123-8|Fenpyroximate, DL|tert-Butyl 4-({[(1,3-dimethyl-5-phenoxy-4-pyrazolyl)methylidene]aminooxy}methyl)benzoate|tert-butyl 4-[({[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032550
ARPathway2016 ARPathway2016_17 Fenpyroximate (Z,E) 111812-58-9 DTXSID2032550 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0961 Unitless CN1N=C(C)C(C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)=C1OC1=CC=CC=C1 Fenpyroximate (Z,E) 111812-58-9|Fenpyroximate (Z,E)|Benzoic acid, 4- [[[[(1, 3- dimethyl- 5- phenoxy- 1H- pyrazol- 4- yl) methylene] amino] oxy] methyl] - , 1, 1- dimethylethyl ester|EC No.: 601-123-8|Fenpyroximate, DL|tert-Butyl 4-({[(1,3-dimethyl-5-phenoxy-4-pyrazolyl)methylidene]aminooxy}methyl)benzoate|tert-butyl 4-[({[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032550
ARPathway2016 ARPathway2016_17 Fenpyroximate (Z,E) 111812-58-9 DTXSID2032550 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CN1N=C(C)C(C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)=C1OC1=CC=CC=C1 Fenpyroximate (Z,E) 111812-58-9|Fenpyroximate (Z,E)|Benzoic acid, 4- [[[[(1, 3- dimethyl- 5- phenoxy- 1H- pyrazol- 4- yl) methylene] amino] oxy] methyl] - , 1, 1- dimethylethyl ester|EC No.: 601-123-8|Fenpyroximate, DL|tert-Butyl 4-({[(1,3-dimethyl-5-phenoxy-4-pyrazolyl)methylidene]aminooxy}methyl)benzoate|tert-butyl 4-[({[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032550
ARPathway2016 ARPathway2016_17 Fenpyroximate (Z,E) 111812-58-9 DTXSID2032550 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CN1N=C(C)C(C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)=C1OC1=CC=CC=C1 Fenpyroximate (Z,E) 111812-58-9|Fenpyroximate (Z,E)|Benzoic acid, 4- [[[[(1, 3- dimethyl- 5- phenoxy- 1H- pyrazol- 4- yl) methylene] amino] oxy] methyl] - , 1, 1- dimethylethyl ester|EC No.: 601-123-8|Fenpyroximate, DL|tert-Butyl 4-({[(1,3-dimethyl-5-phenoxy-4-pyrazolyl)methylidene]aminooxy}methyl)benzoate|tert-butyl 4-[({[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032550
ARPathway2016 ARPathway2016_17 Fenpyroximate (Z,E) 111812-58-9 DTXSID2032550 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CN1N=C(C)C(C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)=C1OC1=CC=CC=C1 Fenpyroximate (Z,E) 111812-58-9|Fenpyroximate (Z,E)|Benzoic acid, 4- [[[[(1, 3- dimethyl- 5- phenoxy- 1H- pyrazol- 4- yl) methylene] amino] oxy] methyl] - , 1, 1- dimethylethyl ester|EC No.: 601-123-8|Fenpyroximate, DL|tert-Butyl 4-({[(1,3-dimethyl-5-phenoxy-4-pyrazolyl)methylidene]aminooxy}methyl)benzoate|tert-butyl 4-[({[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032550
ERPathway2016 ERPathway2016_597 Fenpyroximate (Z,E) 111812-58-9 DTXSID2032550 R8 ER Pathway Model, Agonist Model Score 0 Unitless CN1N=C(C)C(C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)=C1OC1=CC=CC=C1 Fenpyroximate (Z,E) 111812-58-9|Fenpyroximate (Z,E)|Benzoic acid, 4- [[[[(1, 3- dimethyl- 5- phenoxy- 1H- pyrazol- 4- yl) methylene] amino] oxy] methyl] - , 1, 1- dimethylethyl ester|EC No.: 601-123-8|Fenpyroximate, DL|tert-Butyl 4-({[(1,3-dimethyl-5-phenoxy-4-pyrazolyl)methylidene]aminooxy}methyl)benzoate|tert-butyl 4-[({[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032550
ERPathway2016 ERPathway2016_597 Fenpyroximate (Z,E) 111812-58-9 DTXSID2032550 R8 ER Pathway Model, Antagonist Model Score 0 Unitless CN1N=C(C)C(C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)=C1OC1=CC=CC=C1 Fenpyroximate (Z,E) 111812-58-9|Fenpyroximate (Z,E)|Benzoic acid, 4- [[[[(1, 3- dimethyl- 5- phenoxy- 1H- pyrazol- 4- yl) methylene] amino] oxy] methyl] - , 1, 1- dimethylethyl ester|EC No.: 601-123-8|Fenpyroximate, DL|tert-Butyl 4-({[(1,3-dimethyl-5-phenoxy-4-pyrazolyl)methylidene]aminooxy}methyl)benzoate|tert-butyl 4-[({[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032550
ERPathway2016 ERPathway2016_597 Fenpyroximate (Z,E) 111812-58-9 DTXSID2032550 R8 ER Pathway Model, Agonist Call Inactive Unitless CN1N=C(C)C(C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)=C1OC1=CC=CC=C1 Fenpyroximate (Z,E) 111812-58-9|Fenpyroximate (Z,E)|Benzoic acid, 4- [[[[(1, 3- dimethyl- 5- phenoxy- 1H- pyrazol- 4- yl) methylene] amino] oxy] methyl] - , 1, 1- dimethylethyl ester|EC No.: 601-123-8|Fenpyroximate, DL|tert-Butyl 4-({[(1,3-dimethyl-5-phenoxy-4-pyrazolyl)methylidene]aminooxy}methyl)benzoate|tert-butyl 4-[({[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032550
ERPathway2016 ERPathway2016_597 Fenpyroximate (Z,E) 111812-58-9 DTXSID2032550 R8 ER Pathway Model, Antagonist Call Inactive Unitless CN1N=C(C)C(C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)=C1OC1=CC=CC=C1 Fenpyroximate (Z,E) 111812-58-9|Fenpyroximate (Z,E)|Benzoic acid, 4- [[[[(1, 3- dimethyl- 5- phenoxy- 1H- pyrazol- 4- yl) methylene] amino] oxy] methyl] - , 1, 1- dimethylethyl ester|EC No.: 601-123-8|Fenpyroximate, DL|tert-Butyl 4-({[(1,3-dimethyl-5-phenoxy-4-pyrazolyl)methylidene]aminooxy}methyl)benzoate|tert-butyl 4-[({[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032550
ARPathway2016 ARPathway2016_211 Fenthion 55-38-9 DTXSID8020620 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 7.38285811215713 uM COP(=S)(OC)OC1=CC(C)=C(SC)C=C1 Fenthion 55-38-9|Fenthion|4-Methylmercapto-3-methylphenyl dimethyl thiophosphate|Bay-Bassa|Bayer 29493|Bayer S-1752|Baytex|BRN 1974129|Caswell No. 456F|Dimethyl 4-methylthio-m-tolyl phosphorothioate|EINECS 200-231-9|EPA Pesticide Chemical Code 053301|Fenthion 4E|Fenthion-methyl|Fenthione|fention|Figuron|Lebaycid|m-Cresol, 4-(methylthio)-, O-ester with O,O-dimethyl phosphorothioate|Mercaptofos|Mercaptophos|MPP|NCI-C08651|O,O-Dimethyl O-(3-methyl-4-(methylthio)phenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylthio-fenyl)-monothiofosfaat|O,O-Dimethyl O-(3-methyl-4-methylthiophenyl) thiophosphate|O,O-Dimethyl O-(4-(methylthio)-m-tolyl) phosphorothioate|O,O-Dimethyl O-(4-methylmercapto-3-methylphenyl) thionophosphate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) phosphorothioate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) thiophosphate|O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate|O,O- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020620 https://doi.org/10.22427/NTP-DATA-DTXSID8020620
ARPathway2016 ARPathway2016_211 Fenthion 55-38-9 DTXSID8020620 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 23.1253687 uM COP(=S)(OC)OC1=CC(C)=C(SC)C=C1 Fenthion 55-38-9|Fenthion|4-Methylmercapto-3-methylphenyl dimethyl thiophosphate|Bay-Bassa|Bayer 29493|Bayer S-1752|Baytex|BRN 1974129|Caswell No. 456F|Dimethyl 4-methylthio-m-tolyl phosphorothioate|EINECS 200-231-9|EPA Pesticide Chemical Code 053301|Fenthion 4E|Fenthion-methyl|Fenthione|fention|Figuron|Lebaycid|m-Cresol, 4-(methylthio)-, O-ester with O,O-dimethyl phosphorothioate|Mercaptofos|Mercaptophos|MPP|NCI-C08651|O,O-Dimethyl O-(3-methyl-4-(methylthio)phenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylthio-fenyl)-monothiofosfaat|O,O-Dimethyl O-(3-methyl-4-methylthiophenyl) thiophosphate|O,O-Dimethyl O-(4-(methylthio)-m-tolyl) phosphorothioate|O,O-Dimethyl O-(4-methylmercapto-3-methylphenyl) thionophosphate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) phosphorothioate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) thiophosphate|O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate|O,O- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020620 https://doi.org/10.22427/NTP-DATA-DTXSID8020620
ARPathway2016 ARPathway2016_211 Fenthion 55-38-9 DTXSID8020620 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.125 Unitless COP(=S)(OC)OC1=CC(C)=C(SC)C=C1 Fenthion 55-38-9|Fenthion|4-Methylmercapto-3-methylphenyl dimethyl thiophosphate|Bay-Bassa|Bayer 29493|Bayer S-1752|Baytex|BRN 1974129|Caswell No. 456F|Dimethyl 4-methylthio-m-tolyl phosphorothioate|EINECS 200-231-9|EPA Pesticide Chemical Code 053301|Fenthion 4E|Fenthion-methyl|Fenthione|fention|Figuron|Lebaycid|m-Cresol, 4-(methylthio)-, O-ester with O,O-dimethyl phosphorothioate|Mercaptofos|Mercaptophos|MPP|NCI-C08651|O,O-Dimethyl O-(3-methyl-4-(methylthio)phenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylthio-fenyl)-monothiofosfaat|O,O-Dimethyl O-(3-methyl-4-methylthiophenyl) thiophosphate|O,O-Dimethyl O-(4-(methylthio)-m-tolyl) phosphorothioate|O,O-Dimethyl O-(4-methylmercapto-3-methylphenyl) thionophosphate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) phosphorothioate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) thiophosphate|O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate|O,O- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020620 https://doi.org/10.22427/NTP-DATA-DTXSID8020620
ARPathway2016 ARPathway2016_211 Fenthion 55-38-9 DTXSID8020620 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless COP(=S)(OC)OC1=CC(C)=C(SC)C=C1 Fenthion 55-38-9|Fenthion|4-Methylmercapto-3-methylphenyl dimethyl thiophosphate|Bay-Bassa|Bayer 29493|Bayer S-1752|Baytex|BRN 1974129|Caswell No. 456F|Dimethyl 4-methylthio-m-tolyl phosphorothioate|EINECS 200-231-9|EPA Pesticide Chemical Code 053301|Fenthion 4E|Fenthion-methyl|Fenthione|fention|Figuron|Lebaycid|m-Cresol, 4-(methylthio)-, O-ester with O,O-dimethyl phosphorothioate|Mercaptofos|Mercaptophos|MPP|NCI-C08651|O,O-Dimethyl O-(3-methyl-4-(methylthio)phenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylthio-fenyl)-monothiofosfaat|O,O-Dimethyl O-(3-methyl-4-methylthiophenyl) thiophosphate|O,O-Dimethyl O-(4-(methylthio)-m-tolyl) phosphorothioate|O,O-Dimethyl O-(4-methylmercapto-3-methylphenyl) thionophosphate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) phosphorothioate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) thiophosphate|O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate|O,O- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020620 https://doi.org/10.22427/NTP-DATA-DTXSID8020620
ARPathway2016 ARPathway2016_211 Fenthion 55-38-9 DTXSID8020620 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless COP(=S)(OC)OC1=CC(C)=C(SC)C=C1 Fenthion 55-38-9|Fenthion|4-Methylmercapto-3-methylphenyl dimethyl thiophosphate|Bay-Bassa|Bayer 29493|Bayer S-1752|Baytex|BRN 1974129|Caswell No. 456F|Dimethyl 4-methylthio-m-tolyl phosphorothioate|EINECS 200-231-9|EPA Pesticide Chemical Code 053301|Fenthion 4E|Fenthion-methyl|Fenthione|fention|Figuron|Lebaycid|m-Cresol, 4-(methylthio)-, O-ester with O,O-dimethyl phosphorothioate|Mercaptofos|Mercaptophos|MPP|NCI-C08651|O,O-Dimethyl O-(3-methyl-4-(methylthio)phenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylthio-fenyl)-monothiofosfaat|O,O-Dimethyl O-(3-methyl-4-methylthiophenyl) thiophosphate|O,O-Dimethyl O-(4-(methylthio)-m-tolyl) phosphorothioate|O,O-Dimethyl O-(4-methylmercapto-3-methylphenyl) thionophosphate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) phosphorothioate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) thiophosphate|O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate|O,O- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020620 https://doi.org/10.22427/NTP-DATA-DTXSID8020620
ARPathway2016 ARPathway2016_211 Fenthion 55-38-9 DTXSID8020620 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless COP(=S)(OC)OC1=CC(C)=C(SC)C=C1 Fenthion 55-38-9|Fenthion|4-Methylmercapto-3-methylphenyl dimethyl thiophosphate|Bay-Bassa|Bayer 29493|Bayer S-1752|Baytex|BRN 1974129|Caswell No. 456F|Dimethyl 4-methylthio-m-tolyl phosphorothioate|EINECS 200-231-9|EPA Pesticide Chemical Code 053301|Fenthion 4E|Fenthion-methyl|Fenthione|fention|Figuron|Lebaycid|m-Cresol, 4-(methylthio)-, O-ester with O,O-dimethyl phosphorothioate|Mercaptofos|Mercaptophos|MPP|NCI-C08651|O,O-Dimethyl O-(3-methyl-4-(methylthio)phenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylthio-fenyl)-monothiofosfaat|O,O-Dimethyl O-(3-methyl-4-methylthiophenyl) thiophosphate|O,O-Dimethyl O-(4-(methylthio)-m-tolyl) phosphorothioate|O,O-Dimethyl O-(4-methylmercapto-3-methylphenyl) thionophosphate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) phosphorothioate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) thiophosphate|O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate|O,O- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020620 https://doi.org/10.22427/NTP-DATA-DTXSID8020620
ERPathway2016 ERPathway2016_470 Fenthion 55-38-9 DTXSID8020620 R6 ER Pathway Model, Antagonist AC50 26.3389970074005 uM COP(=S)(OC)OC1=CC(C)=C(SC)C=C1 Fenthion 55-38-9|Fenthion|4-Methylmercapto-3-methylphenyl dimethyl thiophosphate|Bay-Bassa|Bayer 29493|Bayer S-1752|Baytex|BRN 1974129|Caswell No. 456F|Dimethyl 4-methylthio-m-tolyl phosphorothioate|EINECS 200-231-9|EPA Pesticide Chemical Code 053301|Fenthion 4E|Fenthion-methyl|Fenthione|fention|Figuron|Lebaycid|m-Cresol, 4-(methylthio)-, O-ester with O,O-dimethyl phosphorothioate|Mercaptofos|Mercaptophos|MPP|NCI-C08651|O,O-Dimethyl O-(3-methyl-4-(methylthio)phenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylthio-fenyl)-monothiofosfaat|O,O-Dimethyl O-(3-methyl-4-methylthiophenyl) thiophosphate|O,O-Dimethyl O-(4-(methylthio)-m-tolyl) phosphorothioate|O,O-Dimethyl O-(4-methylmercapto-3-methylphenyl) thionophosphate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) phosphorothioate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) thiophosphate|O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate|O,O- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020620 https://doi.org/10.22427/NTP-DATA-DTXSID8020620
ERPathway2016 ERPathway2016_470 Fenthion 55-38-9 DTXSID8020620 R6 ER Pathway Model, Antagonist ACC 12.6004729572234 uM COP(=S)(OC)OC1=CC(C)=C(SC)C=C1 Fenthion 55-38-9|Fenthion|4-Methylmercapto-3-methylphenyl dimethyl thiophosphate|Bay-Bassa|Bayer 29493|Bayer S-1752|Baytex|BRN 1974129|Caswell No. 456F|Dimethyl 4-methylthio-m-tolyl phosphorothioate|EINECS 200-231-9|EPA Pesticide Chemical Code 053301|Fenthion 4E|Fenthion-methyl|Fenthione|fention|Figuron|Lebaycid|m-Cresol, 4-(methylthio)-, O-ester with O,O-dimethyl phosphorothioate|Mercaptofos|Mercaptophos|MPP|NCI-C08651|O,O-Dimethyl O-(3-methyl-4-(methylthio)phenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylthio-fenyl)-monothiofosfaat|O,O-Dimethyl O-(3-methyl-4-methylthiophenyl) thiophosphate|O,O-Dimethyl O-(4-(methylthio)-m-tolyl) phosphorothioate|O,O-Dimethyl O-(4-methylmercapto-3-methylphenyl) thionophosphate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) phosphorothioate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) thiophosphate|O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate|O,O- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020620 https://doi.org/10.22427/NTP-DATA-DTXSID8020620
ERPathway2016 ERPathway2016_470 Fenthion 55-38-9 DTXSID8020620 R6 ER Pathway Model, Agonist Model Score 0.00263 Unitless COP(=S)(OC)OC1=CC(C)=C(SC)C=C1 Fenthion 55-38-9|Fenthion|4-Methylmercapto-3-methylphenyl dimethyl thiophosphate|Bay-Bassa|Bayer 29493|Bayer S-1752|Baytex|BRN 1974129|Caswell No. 456F|Dimethyl 4-methylthio-m-tolyl phosphorothioate|EINECS 200-231-9|EPA Pesticide Chemical Code 053301|Fenthion 4E|Fenthion-methyl|Fenthione|fention|Figuron|Lebaycid|m-Cresol, 4-(methylthio)-, O-ester with O,O-dimethyl phosphorothioate|Mercaptofos|Mercaptophos|MPP|NCI-C08651|O,O-Dimethyl O-(3-methyl-4-(methylthio)phenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylthio-fenyl)-monothiofosfaat|O,O-Dimethyl O-(3-methyl-4-methylthiophenyl) thiophosphate|O,O-Dimethyl O-(4-(methylthio)-m-tolyl) phosphorothioate|O,O-Dimethyl O-(4-methylmercapto-3-methylphenyl) thionophosphate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) phosphorothioate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) thiophosphate|O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate|O,O- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020620 https://doi.org/10.22427/NTP-DATA-DTXSID8020620
ERPathway2016 ERPathway2016_470 Fenthion 55-38-9 DTXSID8020620 R6 ER Pathway Model, Antagonist Model Score 0 Unitless COP(=S)(OC)OC1=CC(C)=C(SC)C=C1 Fenthion 55-38-9|Fenthion|4-Methylmercapto-3-methylphenyl dimethyl thiophosphate|Bay-Bassa|Bayer 29493|Bayer S-1752|Baytex|BRN 1974129|Caswell No. 456F|Dimethyl 4-methylthio-m-tolyl phosphorothioate|EINECS 200-231-9|EPA Pesticide Chemical Code 053301|Fenthion 4E|Fenthion-methyl|Fenthione|fention|Figuron|Lebaycid|m-Cresol, 4-(methylthio)-, O-ester with O,O-dimethyl phosphorothioate|Mercaptofos|Mercaptophos|MPP|NCI-C08651|O,O-Dimethyl O-(3-methyl-4-(methylthio)phenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylthio-fenyl)-monothiofosfaat|O,O-Dimethyl O-(3-methyl-4-methylthiophenyl) thiophosphate|O,O-Dimethyl O-(4-(methylthio)-m-tolyl) phosphorothioate|O,O-Dimethyl O-(4-methylmercapto-3-methylphenyl) thionophosphate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) phosphorothioate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) thiophosphate|O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate|O,O- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020620 https://doi.org/10.22427/NTP-DATA-DTXSID8020620
ERPathway2016 ERPathway2016_470 Fenthion 55-38-9 DTXSID8020620 R6 ER Pathway Model, Agonist Call Inactive Unitless COP(=S)(OC)OC1=CC(C)=C(SC)C=C1 Fenthion 55-38-9|Fenthion|4-Methylmercapto-3-methylphenyl dimethyl thiophosphate|Bay-Bassa|Bayer 29493|Bayer S-1752|Baytex|BRN 1974129|Caswell No. 456F|Dimethyl 4-methylthio-m-tolyl phosphorothioate|EINECS 200-231-9|EPA Pesticide Chemical Code 053301|Fenthion 4E|Fenthion-methyl|Fenthione|fention|Figuron|Lebaycid|m-Cresol, 4-(methylthio)-, O-ester with O,O-dimethyl phosphorothioate|Mercaptofos|Mercaptophos|MPP|NCI-C08651|O,O-Dimethyl O-(3-methyl-4-(methylthio)phenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylthio-fenyl)-monothiofosfaat|O,O-Dimethyl O-(3-methyl-4-methylthiophenyl) thiophosphate|O,O-Dimethyl O-(4-(methylthio)-m-tolyl) phosphorothioate|O,O-Dimethyl O-(4-methylmercapto-3-methylphenyl) thionophosphate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) phosphorothioate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) thiophosphate|O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate|O,O- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020620 https://doi.org/10.22427/NTP-DATA-DTXSID8020620
ERPathway2016 ERPathway2016_470 Fenthion 55-38-9 DTXSID8020620 R6 ER Pathway Model, Antagonist Call Active Unitless COP(=S)(OC)OC1=CC(C)=C(SC)C=C1 Fenthion 55-38-9|Fenthion|4-Methylmercapto-3-methylphenyl dimethyl thiophosphate|Bay-Bassa|Bayer 29493|Bayer S-1752|Baytex|BRN 1974129|Caswell No. 456F|Dimethyl 4-methylthio-m-tolyl phosphorothioate|EINECS 200-231-9|EPA Pesticide Chemical Code 053301|Fenthion 4E|Fenthion-methyl|Fenthione|fention|Figuron|Lebaycid|m-Cresol, 4-(methylthio)-, O-ester with O,O-dimethyl phosphorothioate|Mercaptofos|Mercaptophos|MPP|NCI-C08651|O,O-Dimethyl O-(3-methyl-4-(methylthio)phenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl) phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl)phosphorothioate|O,O-Dimethyl O-(3-methyl-4-methylthio-fenyl)-monothiofosfaat|O,O-Dimethyl O-(3-methyl-4-methylthiophenyl) thiophosphate|O,O-Dimethyl O-(4-(methylthio)-m-tolyl) phosphorothioate|O,O-Dimethyl O-(4-methylmercapto-3-methylphenyl) thionophosphate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) phosphorothioate|O,O-Dimethyl O-(4-methylthio-3-methylphenyl) thiophosphate|O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate|O,O- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020620 https://doi.org/10.22427/NTP-DATA-DTXSID8020620
ARPathway2016 ARPathway2016_411 Fenuron 101-42-8 DTXSID7037551 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(=O)NC1=CC=CC=C1 Fenuron 101-42-8|Fenuron|1-Phenyl-3,3-dimethylurea|1,1-Dimethyl-3-phenylurea|3-Phenyl-1,1-dimethylurea|Amicure UR|BRN 2208535|Caswell No. 457|Croptex Chrome|Croptex Ruby|Dyhard RU 300|Dyhard UR 300|EINECS 202-941-4|Electrum|EPA Pesticide Chemical Code 035507|Falisilvan|Fenidin|Herbon Yellow|N-Phenyl-N',N'-dimethylurea|N,N-Dimethyl-N'-phenylurea|Omicure U 405|PDMU|Quintex|UNII-O7L040435W|UREA, 1,1-DIMETHYL-3-PHENYL-|Urea, N,N-dimethyl-N'-phenyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037551
ARPathway2016 ARPathway2016_411 Fenuron 101-42-8 DTXSID7037551 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C(=O)NC1=CC=CC=C1 Fenuron 101-42-8|Fenuron|1-Phenyl-3,3-dimethylurea|1,1-Dimethyl-3-phenylurea|3-Phenyl-1,1-dimethylurea|Amicure UR|BRN 2208535|Caswell No. 457|Croptex Chrome|Croptex Ruby|Dyhard RU 300|Dyhard UR 300|EINECS 202-941-4|Electrum|EPA Pesticide Chemical Code 035507|Falisilvan|Fenidin|Herbon Yellow|N-Phenyl-N',N'-dimethylurea|N,N-Dimethyl-N'-phenylurea|Omicure U 405|PDMU|Quintex|UNII-O7L040435W|UREA, 1,1-DIMETHYL-3-PHENYL-|Urea, N,N-dimethyl-N'-phenyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037551
ARPathway2016 ARPathway2016_411 Fenuron 101-42-8 DTXSID7037551 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C(=O)NC1=CC=CC=C1 Fenuron 101-42-8|Fenuron|1-Phenyl-3,3-dimethylurea|1,1-Dimethyl-3-phenylurea|3-Phenyl-1,1-dimethylurea|Amicure UR|BRN 2208535|Caswell No. 457|Croptex Chrome|Croptex Ruby|Dyhard RU 300|Dyhard UR 300|EINECS 202-941-4|Electrum|EPA Pesticide Chemical Code 035507|Falisilvan|Fenidin|Herbon Yellow|N-Phenyl-N',N'-dimethylurea|N,N-Dimethyl-N'-phenylurea|Omicure U 405|PDMU|Quintex|UNII-O7L040435W|UREA, 1,1-DIMETHYL-3-PHENYL-|Urea, N,N-dimethyl-N'-phenyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037551
ARPathway2016 ARPathway2016_411 Fenuron 101-42-8 DTXSID7037551 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN(C)C(=O)NC1=CC=CC=C1 Fenuron 101-42-8|Fenuron|1-Phenyl-3,3-dimethylurea|1,1-Dimethyl-3-phenylurea|3-Phenyl-1,1-dimethylurea|Amicure UR|BRN 2208535|Caswell No. 457|Croptex Chrome|Croptex Ruby|Dyhard RU 300|Dyhard UR 300|EINECS 202-941-4|Electrum|EPA Pesticide Chemical Code 035507|Falisilvan|Fenidin|Herbon Yellow|N-Phenyl-N',N'-dimethylurea|N,N-Dimethyl-N'-phenylurea|Omicure U 405|PDMU|Quintex|UNII-O7L040435W|UREA, 1,1-DIMETHYL-3-PHENYL-|Urea, N,N-dimethyl-N'-phenyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037551
ERPathway2016 ERPathway2016_1063 Fenuron 101-42-8 DTXSID7037551 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)C(=O)NC1=CC=CC=C1 Fenuron 101-42-8|Fenuron|1-Phenyl-3,3-dimethylurea|1,1-Dimethyl-3-phenylurea|3-Phenyl-1,1-dimethylurea|Amicure UR|BRN 2208535|Caswell No. 457|Croptex Chrome|Croptex Ruby|Dyhard RU 300|Dyhard UR 300|EINECS 202-941-4|Electrum|EPA Pesticide Chemical Code 035507|Falisilvan|Fenidin|Herbon Yellow|N-Phenyl-N',N'-dimethylurea|N,N-Dimethyl-N'-phenylurea|Omicure U 405|PDMU|Quintex|UNII-O7L040435W|UREA, 1,1-DIMETHYL-3-PHENYL-|Urea, N,N-dimethyl-N'-phenyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037551
ERPathway2016 ERPathway2016_1063 Fenuron 101-42-8 DTXSID7037551 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(=O)NC1=CC=CC=C1 Fenuron 101-42-8|Fenuron|1-Phenyl-3,3-dimethylurea|1,1-Dimethyl-3-phenylurea|3-Phenyl-1,1-dimethylurea|Amicure UR|BRN 2208535|Caswell No. 457|Croptex Chrome|Croptex Ruby|Dyhard RU 300|Dyhard UR 300|EINECS 202-941-4|Electrum|EPA Pesticide Chemical Code 035507|Falisilvan|Fenidin|Herbon Yellow|N-Phenyl-N',N'-dimethylurea|N,N-Dimethyl-N'-phenylurea|Omicure U 405|PDMU|Quintex|UNII-O7L040435W|UREA, 1,1-DIMETHYL-3-PHENYL-|Urea, N,N-dimethyl-N'-phenyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037551
ERPathway2016 ERPathway2016_1063 Fenuron 101-42-8 DTXSID7037551 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C(=O)NC1=CC=CC=C1 Fenuron 101-42-8|Fenuron|1-Phenyl-3,3-dimethylurea|1,1-Dimethyl-3-phenylurea|3-Phenyl-1,1-dimethylurea|Amicure UR|BRN 2208535|Caswell No. 457|Croptex Chrome|Croptex Ruby|Dyhard RU 300|Dyhard UR 300|EINECS 202-941-4|Electrum|EPA Pesticide Chemical Code 035507|Falisilvan|Fenidin|Herbon Yellow|N-Phenyl-N',N'-dimethylurea|N,N-Dimethyl-N'-phenylurea|Omicure U 405|PDMU|Quintex|UNII-O7L040435W|UREA, 1,1-DIMETHYL-3-PHENYL-|Urea, N,N-dimethyl-N'-phenyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037551
ERPathway2016 ERPathway2016_1063 Fenuron 101-42-8 DTXSID7037551 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)C(=O)NC1=CC=CC=C1 Fenuron 101-42-8|Fenuron|1-Phenyl-3,3-dimethylurea|1,1-Dimethyl-3-phenylurea|3-Phenyl-1,1-dimethylurea|Amicure UR|BRN 2208535|Caswell No. 457|Croptex Chrome|Croptex Ruby|Dyhard RU 300|Dyhard UR 300|EINECS 202-941-4|Electrum|EPA Pesticide Chemical Code 035507|Falisilvan|Fenidin|Herbon Yellow|N-Phenyl-N',N'-dimethylurea|N,N-Dimethyl-N'-phenylurea|Omicure U 405|PDMU|Quintex|UNII-O7L040435W|UREA, 1,1-DIMETHYL-3-PHENYL-|Urea, N,N-dimethyl-N'-phenyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037551
ERPathway2016 ERPathway2016_447 Fenvalerate 51630-58-1 DTXSID101017940 ER Pathway Model, Antagonist AC50 20.2221572098256 uM CC(C)C(C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 Fenvalerate 51630-58-1|Fenvalerate|(RS)-a-Cyano-3-phenoxybenzyl (RS)-2-(4-chlorophenyl)-3-methylbutyrate|4-Chloro-a-(1-methylethyl)benzeneacetic acid cyano(3-phenoxyphenyl)methyl ester|Agrofen|AI3-29235|Belmark|Benzeneacetic acid, 4- chloro- alpha- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|Benzeneacetic acid, 4- chloro- a- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|BRN 2025982|Caswell No. 077A|CCRIS 311|cyano (3-phenoxybenzyl)-2-(4-chlorophenyl)-3-methylbutyrate|cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate|Cyano(3-phenoxyphenyl)methyl 4-chloro-a-(1-methylethyl)benzeneacetate|DPX-32293|EC No.: 257-326-3|EINECS No.: 257-326-3|Gold crest tribute|HSDB 6640|OMS 2000|PHENYLACETATE, 4-CHLORO-a-(1-METHYLETHYL)-, CYANO(3-PHENOXYPHENYL)METHYL|SCS|SD 43775|Sumibac|Sumicidin|Sumifleece|Sumifly|Sumipower|Sumitick|Sumkidin|Tribute|Tribute (insecticide)|a-cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyrate|a-Cyano-3-phenoxybenzyl 2-(4-chlorophenyl)isovalerate|a-|131641-62-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID101017940
ERPathway2016 ERPathway2016_447 Fenvalerate 51630-58-1 DTXSID101017940 ER Pathway Model, Antagonist ACC 55.8636734211517 uM CC(C)C(C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 Fenvalerate 51630-58-1|Fenvalerate|(RS)-a-Cyano-3-phenoxybenzyl (RS)-2-(4-chlorophenyl)-3-methylbutyrate|4-Chloro-a-(1-methylethyl)benzeneacetic acid cyano(3-phenoxyphenyl)methyl ester|Agrofen|AI3-29235|Belmark|Benzeneacetic acid, 4- chloro- alpha- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|Benzeneacetic acid, 4- chloro- a- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|BRN 2025982|Caswell No. 077A|CCRIS 311|cyano (3-phenoxybenzyl)-2-(4-chlorophenyl)-3-methylbutyrate|cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate|Cyano(3-phenoxyphenyl)methyl 4-chloro-a-(1-methylethyl)benzeneacetate|DPX-32293|EC No.: 257-326-3|EINECS No.: 257-326-3|Gold crest tribute|HSDB 6640|OMS 2000|PHENYLACETATE, 4-CHLORO-a-(1-METHYLETHYL)-, CYANO(3-PHENOXYPHENYL)METHYL|SCS|SD 43775|Sumibac|Sumicidin|Sumifleece|Sumifly|Sumipower|Sumitick|Sumkidin|Tribute|Tribute (insecticide)|a-cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyrate|a-Cyano-3-phenoxybenzyl 2-(4-chlorophenyl)isovalerate|a-|131641-62-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID101017940
ERPathway2016 ERPathway2016_447 Fenvalerate 51630-58-1 DTXSID101017940 ER Pathway Model, Agonist Model Score 0.00468 Unitless CC(C)C(C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 Fenvalerate 51630-58-1|Fenvalerate|(RS)-a-Cyano-3-phenoxybenzyl (RS)-2-(4-chlorophenyl)-3-methylbutyrate|4-Chloro-a-(1-methylethyl)benzeneacetic acid cyano(3-phenoxyphenyl)methyl ester|Agrofen|AI3-29235|Belmark|Benzeneacetic acid, 4- chloro- alpha- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|Benzeneacetic acid, 4- chloro- a- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|BRN 2025982|Caswell No. 077A|CCRIS 311|cyano (3-phenoxybenzyl)-2-(4-chlorophenyl)-3-methylbutyrate|cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate|Cyano(3-phenoxyphenyl)methyl 4-chloro-a-(1-methylethyl)benzeneacetate|DPX-32293|EC No.: 257-326-3|EINECS No.: 257-326-3|Gold crest tribute|HSDB 6640|OMS 2000|PHENYLACETATE, 4-CHLORO-a-(1-METHYLETHYL)-, CYANO(3-PHENOXYPHENYL)METHYL|SCS|SD 43775|Sumibac|Sumicidin|Sumifleece|Sumifly|Sumipower|Sumitick|Sumkidin|Tribute|Tribute (insecticide)|a-cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyrate|a-Cyano-3-phenoxybenzyl 2-(4-chlorophenyl)isovalerate|a-|131641-62-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID101017940
ERPathway2016 ERPathway2016_447 Fenvalerate 51630-58-1 DTXSID101017940 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C(C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 Fenvalerate 51630-58-1|Fenvalerate|(RS)-a-Cyano-3-phenoxybenzyl (RS)-2-(4-chlorophenyl)-3-methylbutyrate|4-Chloro-a-(1-methylethyl)benzeneacetic acid cyano(3-phenoxyphenyl)methyl ester|Agrofen|AI3-29235|Belmark|Benzeneacetic acid, 4- chloro- alpha- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|Benzeneacetic acid, 4- chloro- a- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|BRN 2025982|Caswell No. 077A|CCRIS 311|cyano (3-phenoxybenzyl)-2-(4-chlorophenyl)-3-methylbutyrate|cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate|Cyano(3-phenoxyphenyl)methyl 4-chloro-a-(1-methylethyl)benzeneacetate|DPX-32293|EC No.: 257-326-3|EINECS No.: 257-326-3|Gold crest tribute|HSDB 6640|OMS 2000|PHENYLACETATE, 4-CHLORO-a-(1-METHYLETHYL)-, CYANO(3-PHENOXYPHENYL)METHYL|SCS|SD 43775|Sumibac|Sumicidin|Sumifleece|Sumifly|Sumipower|Sumitick|Sumkidin|Tribute|Tribute (insecticide)|a-cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyrate|a-Cyano-3-phenoxybenzyl 2-(4-chlorophenyl)isovalerate|a-|131641-62-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID101017940
ERPathway2016 ERPathway2016_447 Fenvalerate 51630-58-1 DTXSID101017940 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C(C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 Fenvalerate 51630-58-1|Fenvalerate|(RS)-a-Cyano-3-phenoxybenzyl (RS)-2-(4-chlorophenyl)-3-methylbutyrate|4-Chloro-a-(1-methylethyl)benzeneacetic acid cyano(3-phenoxyphenyl)methyl ester|Agrofen|AI3-29235|Belmark|Benzeneacetic acid, 4- chloro- alpha- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|Benzeneacetic acid, 4- chloro- a- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|BRN 2025982|Caswell No. 077A|CCRIS 311|cyano (3-phenoxybenzyl)-2-(4-chlorophenyl)-3-methylbutyrate|cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate|Cyano(3-phenoxyphenyl)methyl 4-chloro-a-(1-methylethyl)benzeneacetate|DPX-32293|EC No.: 257-326-3|EINECS No.: 257-326-3|Gold crest tribute|HSDB 6640|OMS 2000|PHENYLACETATE, 4-CHLORO-a-(1-METHYLETHYL)-, CYANO(3-PHENOXYPHENYL)METHYL|SCS|SD 43775|Sumibac|Sumicidin|Sumifleece|Sumifly|Sumipower|Sumitick|Sumkidin|Tribute|Tribute (insecticide)|a-cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyrate|a-Cyano-3-phenoxybenzyl 2-(4-chlorophenyl)isovalerate|a-|131641-62-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID101017940
ERPathway2016 ERPathway2016_447 Fenvalerate 51630-58-1 DTXSID101017940 ER Pathway Model, Antagonist Call Active Unitless CC(C)C(C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1 Fenvalerate 51630-58-1|Fenvalerate|(RS)-a-Cyano-3-phenoxybenzyl (RS)-2-(4-chlorophenyl)-3-methylbutyrate|4-Chloro-a-(1-methylethyl)benzeneacetic acid cyano(3-phenoxyphenyl)methyl ester|Agrofen|AI3-29235|Belmark|Benzeneacetic acid, 4- chloro- alpha- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|Benzeneacetic acid, 4- chloro- a- (1- methylethyl) - , cyano(3- phenoxyphenyl) methyl ester|BRN 2025982|Caswell No. 077A|CCRIS 311|cyano (3-phenoxybenzyl)-2-(4-chlorophenyl)-3-methylbutyrate|cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate|Cyano(3-phenoxyphenyl)methyl 4-chloro-a-(1-methylethyl)benzeneacetate|DPX-32293|EC No.: 257-326-3|EINECS No.: 257-326-3|Gold crest tribute|HSDB 6640|OMS 2000|PHENYLACETATE, 4-CHLORO-a-(1-METHYLETHYL)-, CYANO(3-PHENOXYPHENYL)METHYL|SCS|SD 43775|Sumibac|Sumicidin|Sumifleece|Sumifly|Sumipower|Sumitick|Sumkidin|Tribute|Tribute (insecticide)|a-cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyrate|a-Cyano-3-phenoxybenzyl 2-(4-chlorophenyl)isovalerate|a-|131641-62-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID101017940
ARPathway2016 ARPathway2016_1798 Finasteride 98319-26-7 DTXSID3020625 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C Finasteride 98319-26-7|Finasteride|(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1-Dimethylethyl)- 2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide|(5alpha,17beta)-(1,1-Dimethylethyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide|17beta-(N-tert-butylcarbamoyl)-4-aza-5 alpha-androst-1-en-3-one|1H-Indeno[5,4-f]quinoline-7-carboxamide, N-(1,1-dimethylethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-|4-Azaandrost-1-ene-17-carboxamide, N-(1,1-dimethylethyl)-3-oxo-, (5a,17b)-|BRN 4269024|Chibro-Proscar|Finasterida|Finasteridum|Finastid|Finpecia|N-(2-Methyl-2-propyl)-3-oxo-4-aza-5-alpha-androst-1-ene-17-beta-carboxamide|N-(tert-Butyl)-3-oxo-4-aza-5a-androst-1-ene-17-carboxamide|N-tert-Butyl-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide|Propecia|Proscar|Prostide|UNII-57GNO57U7G https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020625
ARPathway2016 ARPathway2016_1798 Finasteride 98319-26-7 DTXSID3020625 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C Finasteride 98319-26-7|Finasteride|(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1-Dimethylethyl)- 2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide|(5alpha,17beta)-(1,1-Dimethylethyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide|17beta-(N-tert-butylcarbamoyl)-4-aza-5 alpha-androst-1-en-3-one|1H-Indeno[5,4-f]quinoline-7-carboxamide, N-(1,1-dimethylethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-|4-Azaandrost-1-ene-17-carboxamide, N-(1,1-dimethylethyl)-3-oxo-, (5a,17b)-|BRN 4269024|Chibro-Proscar|Finasterida|Finasteridum|Finastid|Finpecia|N-(2-Methyl-2-propyl)-3-oxo-4-aza-5-alpha-androst-1-ene-17-beta-carboxamide|N-(tert-Butyl)-3-oxo-4-aza-5a-androst-1-ene-17-carboxamide|N-tert-Butyl-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide|Propecia|Proscar|Prostide|UNII-57GNO57U7G https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020625
ARPathway2016 ARPathway2016_1798 Finasteride 98319-26-7 DTXSID3020625 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C Finasteride 98319-26-7|Finasteride|(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1-Dimethylethyl)- 2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide|(5alpha,17beta)-(1,1-Dimethylethyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide|17beta-(N-tert-butylcarbamoyl)-4-aza-5 alpha-androst-1-en-3-one|1H-Indeno[5,4-f]quinoline-7-carboxamide, N-(1,1-dimethylethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-|4-Azaandrost-1-ene-17-carboxamide, N-(1,1-dimethylethyl)-3-oxo-, (5a,17b)-|BRN 4269024|Chibro-Proscar|Finasterida|Finasteridum|Finastid|Finpecia|N-(2-Methyl-2-propyl)-3-oxo-4-aza-5-alpha-androst-1-ene-17-beta-carboxamide|N-(tert-Butyl)-3-oxo-4-aza-5a-androst-1-ene-17-carboxamide|N-tert-Butyl-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide|Propecia|Proscar|Prostide|UNII-57GNO57U7G https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020625
ARPathway2016 ARPathway2016_1798 Finasteride 98319-26-7 DTXSID3020625 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C Finasteride 98319-26-7|Finasteride|(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1-Dimethylethyl)- 2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide|(5alpha,17beta)-(1,1-Dimethylethyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide|17beta-(N-tert-butylcarbamoyl)-4-aza-5 alpha-androst-1-en-3-one|1H-Indeno[5,4-f]quinoline-7-carboxamide, N-(1,1-dimethylethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-|4-Azaandrost-1-ene-17-carboxamide, N-(1,1-dimethylethyl)-3-oxo-, (5a,17b)-|BRN 4269024|Chibro-Proscar|Finasterida|Finasteridum|Finastid|Finpecia|N-(2-Methyl-2-propyl)-3-oxo-4-aza-5-alpha-androst-1-ene-17-beta-carboxamide|N-(tert-Butyl)-3-oxo-4-aza-5a-androst-1-ene-17-carboxamide|N-tert-Butyl-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide|Propecia|Proscar|Prostide|UNII-57GNO57U7G https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020625
ERPathway2016 ERPathway2016_1788 Finasteride 98319-26-7 DTXSID3020625 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C Finasteride 98319-26-7|Finasteride|(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1-Dimethylethyl)- 2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide|(5alpha,17beta)-(1,1-Dimethylethyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide|17beta-(N-tert-butylcarbamoyl)-4-aza-5 alpha-androst-1-en-3-one|1H-Indeno[5,4-f]quinoline-7-carboxamide, N-(1,1-dimethylethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-|4-Azaandrost-1-ene-17-carboxamide, N-(1,1-dimethylethyl)-3-oxo-, (5a,17b)-|BRN 4269024|Chibro-Proscar|Finasterida|Finasteridum|Finastid|Finpecia|N-(2-Methyl-2-propyl)-3-oxo-4-aza-5-alpha-androst-1-ene-17-beta-carboxamide|N-(tert-Butyl)-3-oxo-4-aza-5a-androst-1-ene-17-carboxamide|N-tert-Butyl-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide|Propecia|Proscar|Prostide|UNII-57GNO57U7G https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020625
ERPathway2016 ERPathway2016_1788 Finasteride 98319-26-7 DTXSID3020625 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C Finasteride 98319-26-7|Finasteride|(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1-Dimethylethyl)- 2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide|(5alpha,17beta)-(1,1-Dimethylethyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide|17beta-(N-tert-butylcarbamoyl)-4-aza-5 alpha-androst-1-en-3-one|1H-Indeno[5,4-f]quinoline-7-carboxamide, N-(1,1-dimethylethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-|4-Azaandrost-1-ene-17-carboxamide, N-(1,1-dimethylethyl)-3-oxo-, (5a,17b)-|BRN 4269024|Chibro-Proscar|Finasterida|Finasteridum|Finastid|Finpecia|N-(2-Methyl-2-propyl)-3-oxo-4-aza-5-alpha-androst-1-ene-17-beta-carboxamide|N-(tert-Butyl)-3-oxo-4-aza-5a-androst-1-ene-17-carboxamide|N-tert-Butyl-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide|Propecia|Proscar|Prostide|UNII-57GNO57U7G https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020625
ERPathway2016 ERPathway2016_1788 Finasteride 98319-26-7 DTXSID3020625 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C Finasteride 98319-26-7|Finasteride|(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1-Dimethylethyl)- 2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide|(5alpha,17beta)-(1,1-Dimethylethyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide|17beta-(N-tert-butylcarbamoyl)-4-aza-5 alpha-androst-1-en-3-one|1H-Indeno[5,4-f]quinoline-7-carboxamide, N-(1,1-dimethylethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-|4-Azaandrost-1-ene-17-carboxamide, N-(1,1-dimethylethyl)-3-oxo-, (5a,17b)-|BRN 4269024|Chibro-Proscar|Finasterida|Finasteridum|Finastid|Finpecia|N-(2-Methyl-2-propyl)-3-oxo-4-aza-5-alpha-androst-1-ene-17-beta-carboxamide|N-(tert-Butyl)-3-oxo-4-aza-5a-androst-1-ene-17-carboxamide|N-tert-Butyl-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide|Propecia|Proscar|Prostide|UNII-57GNO57U7G https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020625
ERPathway2016 ERPathway2016_1788 Finasteride 98319-26-7 DTXSID3020625 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C Finasteride 98319-26-7|Finasteride|(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1-Dimethylethyl)- 2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide|(5alpha,17beta)-(1,1-Dimethylethyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide|17beta-(N-tert-butylcarbamoyl)-4-aza-5 alpha-androst-1-en-3-one|1H-Indeno[5,4-f]quinoline-7-carboxamide, N-(1,1-dimethylethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-|4-Azaandrost-1-ene-17-carboxamide, N-(1,1-dimethylethyl)-3-oxo-, (5a,17b)-|BRN 4269024|Chibro-Proscar|Finasterida|Finasteridum|Finastid|Finpecia|N-(2-Methyl-2-propyl)-3-oxo-4-aza-5-alpha-androst-1-ene-17-beta-carboxamide|N-(tert-Butyl)-3-oxo-4-aza-5a-androst-1-ene-17-carboxamide|N-tert-Butyl-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide|Propecia|Proscar|Prostide|UNII-57GNO57U7G https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020625
ARPathway2016 ARPathway2016_36 Fipronil 120068-37-3 DTXSID4034609 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 15.84433473 uM NC1=C(C(=NN1C1=C(Cl)C=C(C=C1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F Fipronil 120068-37-3|Fipronil|(+)-5-Amino-1-(2,6-dichloro-a,a,a-trifluoro-p-tolyl)-4-trifluoromethylsulfinylpyrazozole-3-carbonitrile|1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3-cyano-4-[(trifluoromethyl)sulfinyl]-5-aminopyrazole|1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinylpyrazole|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfinyl-1H-pyrazole-3-carbonitrile|Fluocyanobenpyrazole|Frontline Spot-on|Frontline Spray|Frontline Top Spot|Goliath gel|Granedo MC|Grenade MC|M & B 46030|Maxforce FC|Maxforce FC Select Roach Killer Bait Gel|MB46030|Regent TS|Termidor|Termidor 80WG|TopChoice|UNII-QGH063955F|53763-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034609
ARPathway2016 ARPathway2016_36 Fipronil 120068-37-3 DTXSID4034609 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 14.4614955268266 uM NC1=C(C(=NN1C1=C(Cl)C=C(C=C1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F Fipronil 120068-37-3|Fipronil|(+)-5-Amino-1-(2,6-dichloro-a,a,a-trifluoro-p-tolyl)-4-trifluoromethylsulfinylpyrazozole-3-carbonitrile|1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3-cyano-4-[(trifluoromethyl)sulfinyl]-5-aminopyrazole|1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinylpyrazole|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfinyl-1H-pyrazole-3-carbonitrile|Fluocyanobenpyrazole|Frontline Spot-on|Frontline Spray|Frontline Top Spot|Goliath gel|Granedo MC|Grenade MC|M & B 46030|Maxforce FC|Maxforce FC Select Roach Killer Bait Gel|MB46030|Regent TS|Termidor|Termidor 80WG|TopChoice|UNII-QGH063955F|53763-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034609
ARPathway2016 ARPathway2016_36 Fipronil 120068-37-3 DTXSID4034609 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0625 Unitless NC1=C(C(=NN1C1=C(Cl)C=C(C=C1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F Fipronil 120068-37-3|Fipronil|(+)-5-Amino-1-(2,6-dichloro-a,a,a-trifluoro-p-tolyl)-4-trifluoromethylsulfinylpyrazozole-3-carbonitrile|1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3-cyano-4-[(trifluoromethyl)sulfinyl]-5-aminopyrazole|1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinylpyrazole|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfinyl-1H-pyrazole-3-carbonitrile|Fluocyanobenpyrazole|Frontline Spot-on|Frontline Spray|Frontline Top Spot|Goliath gel|Granedo MC|Grenade MC|M & B 46030|Maxforce FC|Maxforce FC Select Roach Killer Bait Gel|MB46030|Regent TS|Termidor|Termidor 80WG|TopChoice|UNII-QGH063955F|53763-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034609
ARPathway2016 ARPathway2016_36 Fipronil 120068-37-3 DTXSID4034609 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless NC1=C(C(=NN1C1=C(Cl)C=C(C=C1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F Fipronil 120068-37-3|Fipronil|(+)-5-Amino-1-(2,6-dichloro-a,a,a-trifluoro-p-tolyl)-4-trifluoromethylsulfinylpyrazozole-3-carbonitrile|1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3-cyano-4-[(trifluoromethyl)sulfinyl]-5-aminopyrazole|1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinylpyrazole|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfinyl-1H-pyrazole-3-carbonitrile|Fluocyanobenpyrazole|Frontline Spot-on|Frontline Spray|Frontline Top Spot|Goliath gel|Granedo MC|Grenade MC|M & B 46030|Maxforce FC|Maxforce FC Select Roach Killer Bait Gel|MB46030|Regent TS|Termidor|Termidor 80WG|TopChoice|UNII-QGH063955F|53763-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034609
ARPathway2016 ARPathway2016_36 Fipronil 120068-37-3 DTXSID4034609 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless NC1=C(C(=NN1C1=C(Cl)C=C(C=C1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F Fipronil 120068-37-3|Fipronil|(+)-5-Amino-1-(2,6-dichloro-a,a,a-trifluoro-p-tolyl)-4-trifluoromethylsulfinylpyrazozole-3-carbonitrile|1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3-cyano-4-[(trifluoromethyl)sulfinyl]-5-aminopyrazole|1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinylpyrazole|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfinyl-1H-pyrazole-3-carbonitrile|Fluocyanobenpyrazole|Frontline Spot-on|Frontline Spray|Frontline Top Spot|Goliath gel|Granedo MC|Grenade MC|M & B 46030|Maxforce FC|Maxforce FC Select Roach Killer Bait Gel|MB46030|Regent TS|Termidor|Termidor 80WG|TopChoice|UNII-QGH063955F|53763-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034609
ARPathway2016 ARPathway2016_36 Fipronil 120068-37-3 DTXSID4034609 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless NC1=C(C(=NN1C1=C(Cl)C=C(C=C1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F Fipronil 120068-37-3|Fipronil|(+)-5-Amino-1-(2,6-dichloro-a,a,a-trifluoro-p-tolyl)-4-trifluoromethylsulfinylpyrazozole-3-carbonitrile|1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3-cyano-4-[(trifluoromethyl)sulfinyl]-5-aminopyrazole|1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinylpyrazole|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfinyl-1H-pyrazole-3-carbonitrile|Fluocyanobenpyrazole|Frontline Spot-on|Frontline Spray|Frontline Top Spot|Goliath gel|Granedo MC|Grenade MC|M & B 46030|Maxforce FC|Maxforce FC Select Roach Killer Bait Gel|MB46030|Regent TS|Termidor|Termidor 80WG|TopChoice|UNII-QGH063955F|53763-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034609
ERPathway2016 ERPathway2016_558 Fipronil 120068-37-3 DTXSID4034609 R9 ER Pathway Model, Agonist Model Score 0 Unitless NC1=C(C(=NN1C1=C(Cl)C=C(C=C1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F Fipronil 120068-37-3|Fipronil|(+)-5-Amino-1-(2,6-dichloro-a,a,a-trifluoro-p-tolyl)-4-trifluoromethylsulfinylpyrazozole-3-carbonitrile|1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3-cyano-4-[(trifluoromethyl)sulfinyl]-5-aminopyrazole|1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinylpyrazole|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfinyl-1H-pyrazole-3-carbonitrile|Fluocyanobenpyrazole|Frontline Spot-on|Frontline Spray|Frontline Top Spot|Goliath gel|Granedo MC|Grenade MC|M & B 46030|Maxforce FC|Maxforce FC Select Roach Killer Bait Gel|MB46030|Regent TS|Termidor|Termidor 80WG|TopChoice|UNII-QGH063955F|53763-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034609
ERPathway2016 ERPathway2016_558 Fipronil 120068-37-3 DTXSID4034609 R9 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=C(C(=NN1C1=C(Cl)C=C(C=C1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F Fipronil 120068-37-3|Fipronil|(+)-5-Amino-1-(2,6-dichloro-a,a,a-trifluoro-p-tolyl)-4-trifluoromethylsulfinylpyrazozole-3-carbonitrile|1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3-cyano-4-[(trifluoromethyl)sulfinyl]-5-aminopyrazole|1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinylpyrazole|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfinyl-1H-pyrazole-3-carbonitrile|Fluocyanobenpyrazole|Frontline Spot-on|Frontline Spray|Frontline Top Spot|Goliath gel|Granedo MC|Grenade MC|M & B 46030|Maxforce FC|Maxforce FC Select Roach Killer Bait Gel|MB46030|Regent TS|Termidor|Termidor 80WG|TopChoice|UNII-QGH063955F|53763-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034609
ERPathway2016 ERPathway2016_558 Fipronil 120068-37-3 DTXSID4034609 R9 ER Pathway Model, Agonist Call Inactive Unitless NC1=C(C(=NN1C1=C(Cl)C=C(C=C1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F Fipronil 120068-37-3|Fipronil|(+)-5-Amino-1-(2,6-dichloro-a,a,a-trifluoro-p-tolyl)-4-trifluoromethylsulfinylpyrazozole-3-carbonitrile|1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3-cyano-4-[(trifluoromethyl)sulfinyl]-5-aminopyrazole|1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinylpyrazole|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfinyl-1H-pyrazole-3-carbonitrile|Fluocyanobenpyrazole|Frontline Spot-on|Frontline Spray|Frontline Top Spot|Goliath gel|Granedo MC|Grenade MC|M & B 46030|Maxforce FC|Maxforce FC Select Roach Killer Bait Gel|MB46030|Regent TS|Termidor|Termidor 80WG|TopChoice|UNII-QGH063955F|53763-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034609
ERPathway2016 ERPathway2016_558 Fipronil 120068-37-3 DTXSID4034609 R9 ER Pathway Model, Antagonist Call Inactive Unitless NC1=C(C(=NN1C1=C(Cl)C=C(C=C1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F Fipronil 120068-37-3|Fipronil|(+)-5-Amino-1-(2,6-dichloro-a,a,a-trifluoro-p-tolyl)-4-trifluoromethylsulfinylpyrazozole-3-carbonitrile|1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3-cyano-4-[(trifluoromethyl)sulfinyl]-5-aminopyrazole|1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cyano-4-trifluoromethylsulfinylpyrazole|5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfinyl-1H-pyrazole-3-carbonitrile|Fluocyanobenpyrazole|Frontline Spot-on|Frontline Spray|Frontline Top Spot|Goliath gel|Granedo MC|Grenade MC|M & B 46030|Maxforce FC|Maxforce FC Select Roach Killer Bait Gel|MB46030|Regent TS|Termidor|Termidor 80WG|TopChoice|UNII-QGH063955F|53763-08-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034609
ARPathway2016 ARPathway2016_1277 Flavone 525-82-6 DTXSID2022048 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1 Flavone 525-82-6|Flavone|2-phenyl-1-benzopyran-4-one|2-Phenyl-4-benzopyron|2-Phenyl-4-chromone|2-Phenyl-4H-1-benzopyran-4-one|2-Phenyl-4H-benzopyran-4-one|2-Phenyl-4H-chromen-4-on|2-Phenyl-4H-chromen-4-one|2-Phenyl-gamma-benzopyrone|2-Phenyl-g-benzopyrone|2-Phenylbenzopyran-4-one|2-phenylchromen-4-one|2-Phenylchromone|4H-1-Benzopyran-4-one, 2-phenyl-|5-17-10-00552|Asmacoril|BRN 0157598|Chromocor|Cromaril|Cromarile|EINECS 208-383-8|flavona|NSC 19028|Phenylchromone|UNII-S2V45N7G3B|11091-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022048
ARPathway2016 ARPathway2016_1277 Flavone 525-82-6 DTXSID2022048 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1 Flavone 525-82-6|Flavone|2-phenyl-1-benzopyran-4-one|2-Phenyl-4-benzopyron|2-Phenyl-4-chromone|2-Phenyl-4H-1-benzopyran-4-one|2-Phenyl-4H-benzopyran-4-one|2-Phenyl-4H-chromen-4-on|2-Phenyl-4H-chromen-4-one|2-Phenyl-gamma-benzopyrone|2-Phenyl-g-benzopyrone|2-Phenylbenzopyran-4-one|2-phenylchromen-4-one|2-Phenylchromone|4H-1-Benzopyran-4-one, 2-phenyl-|5-17-10-00552|Asmacoril|BRN 0157598|Chromocor|Cromaril|Cromarile|EINECS 208-383-8|flavona|NSC 19028|Phenylchromone|UNII-S2V45N7G3B|11091-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022048
ARPathway2016 ARPathway2016_1277 Flavone 525-82-6 DTXSID2022048 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Inactive Unitless O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1 Flavone 525-82-6|Flavone|2-phenyl-1-benzopyran-4-one|2-Phenyl-4-benzopyron|2-Phenyl-4-chromone|2-Phenyl-4H-1-benzopyran-4-one|2-Phenyl-4H-benzopyran-4-one|2-Phenyl-4H-chromen-4-on|2-Phenyl-4H-chromen-4-one|2-Phenyl-gamma-benzopyrone|2-Phenyl-g-benzopyrone|2-Phenylbenzopyran-4-one|2-phenylchromen-4-one|2-Phenylchromone|4H-1-Benzopyran-4-one, 2-phenyl-|5-17-10-00552|Asmacoril|BRN 0157598|Chromocor|Cromaril|Cromarile|EINECS 208-383-8|flavona|NSC 19028|Phenylchromone|UNII-S2V45N7G3B|11091-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022048
ARPathway2016 ARPathway2016_1277 Flavone 525-82-6 DTXSID2022048 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1 Flavone 525-82-6|Flavone|2-phenyl-1-benzopyran-4-one|2-Phenyl-4-benzopyron|2-Phenyl-4-chromone|2-Phenyl-4H-1-benzopyran-4-one|2-Phenyl-4H-benzopyran-4-one|2-Phenyl-4H-chromen-4-on|2-Phenyl-4H-chromen-4-one|2-Phenyl-gamma-benzopyrone|2-Phenyl-g-benzopyrone|2-Phenylbenzopyran-4-one|2-phenylchromen-4-one|2-Phenylchromone|4H-1-Benzopyran-4-one, 2-phenyl-|5-17-10-00552|Asmacoril|BRN 0157598|Chromocor|Cromaril|Cromarile|EINECS 208-383-8|flavona|NSC 19028|Phenylchromone|UNII-S2V45N7G3B|11091-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022048
ERPathway2016 ERPathway2016_288 Flavone 525-82-6 DTXSID2022048 ER Pathway Model, Antagonist AC50 4.92237422213256 uM O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1 Flavone 525-82-6|Flavone|2-phenyl-1-benzopyran-4-one|2-Phenyl-4-benzopyron|2-Phenyl-4-chromone|2-Phenyl-4H-1-benzopyran-4-one|2-Phenyl-4H-benzopyran-4-one|2-Phenyl-4H-chromen-4-on|2-Phenyl-4H-chromen-4-one|2-Phenyl-gamma-benzopyrone|2-Phenyl-g-benzopyrone|2-Phenylbenzopyran-4-one|2-phenylchromen-4-one|2-Phenylchromone|4H-1-Benzopyran-4-one, 2-phenyl-|5-17-10-00552|Asmacoril|BRN 0157598|Chromocor|Cromaril|Cromarile|EINECS 208-383-8|flavona|NSC 19028|Phenylchromone|UNII-S2V45N7G3B|11091-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022048
ERPathway2016 ERPathway2016_288 Flavone 525-82-6 DTXSID2022048 ER Pathway Model, Antagonist ACC 3.37076924767847 uM O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1 Flavone 525-82-6|Flavone|2-phenyl-1-benzopyran-4-one|2-Phenyl-4-benzopyron|2-Phenyl-4-chromone|2-Phenyl-4H-1-benzopyran-4-one|2-Phenyl-4H-benzopyran-4-one|2-Phenyl-4H-chromen-4-on|2-Phenyl-4H-chromen-4-one|2-Phenyl-gamma-benzopyrone|2-Phenyl-g-benzopyrone|2-Phenylbenzopyran-4-one|2-phenylchromen-4-one|2-Phenylchromone|4H-1-Benzopyran-4-one, 2-phenyl-|5-17-10-00552|Asmacoril|BRN 0157598|Chromocor|Cromaril|Cromarile|EINECS 208-383-8|flavona|NSC 19028|Phenylchromone|UNII-S2V45N7G3B|11091-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022048
ERPathway2016 ERPathway2016_288 Flavone 525-82-6 DTXSID2022048 ER Pathway Model, Agonist Model Score 0.0423 Unitless O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1 Flavone 525-82-6|Flavone|2-phenyl-1-benzopyran-4-one|2-Phenyl-4-benzopyron|2-Phenyl-4-chromone|2-Phenyl-4H-1-benzopyran-4-one|2-Phenyl-4H-benzopyran-4-one|2-Phenyl-4H-chromen-4-on|2-Phenyl-4H-chromen-4-one|2-Phenyl-gamma-benzopyrone|2-Phenyl-g-benzopyrone|2-Phenylbenzopyran-4-one|2-phenylchromen-4-one|2-Phenylchromone|4H-1-Benzopyran-4-one, 2-phenyl-|5-17-10-00552|Asmacoril|BRN 0157598|Chromocor|Cromaril|Cromarile|EINECS 208-383-8|flavona|NSC 19028|Phenylchromone|UNII-S2V45N7G3B|11091-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022048
ERPathway2016 ERPathway2016_288 Flavone 525-82-6 DTXSID2022048 ER Pathway Model, Antagonist Model Score 0 Unitless O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1 Flavone 525-82-6|Flavone|2-phenyl-1-benzopyran-4-one|2-Phenyl-4-benzopyron|2-Phenyl-4-chromone|2-Phenyl-4H-1-benzopyran-4-one|2-Phenyl-4H-benzopyran-4-one|2-Phenyl-4H-chromen-4-on|2-Phenyl-4H-chromen-4-one|2-Phenyl-gamma-benzopyrone|2-Phenyl-g-benzopyrone|2-Phenylbenzopyran-4-one|2-phenylchromen-4-one|2-Phenylchromone|4H-1-Benzopyran-4-one, 2-phenyl-|5-17-10-00552|Asmacoril|BRN 0157598|Chromocor|Cromaril|Cromarile|EINECS 208-383-8|flavona|NSC 19028|Phenylchromone|UNII-S2V45N7G3B|11091-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022048
ERPathway2016 ERPathway2016_288 Flavone 525-82-6 DTXSID2022048 ER Pathway Model, Agonist Call Inactive Unitless O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1 Flavone 525-82-6|Flavone|2-phenyl-1-benzopyran-4-one|2-Phenyl-4-benzopyron|2-Phenyl-4-chromone|2-Phenyl-4H-1-benzopyran-4-one|2-Phenyl-4H-benzopyran-4-one|2-Phenyl-4H-chromen-4-on|2-Phenyl-4H-chromen-4-one|2-Phenyl-gamma-benzopyrone|2-Phenyl-g-benzopyrone|2-Phenylbenzopyran-4-one|2-phenylchromen-4-one|2-Phenylchromone|4H-1-Benzopyran-4-one, 2-phenyl-|5-17-10-00552|Asmacoril|BRN 0157598|Chromocor|Cromaril|Cromarile|EINECS 208-383-8|flavona|NSC 19028|Phenylchromone|UNII-S2V45N7G3B|11091-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022048
ERPathway2016 ERPathway2016_288 Flavone 525-82-6 DTXSID2022048 ER Pathway Model, Antagonist Call Active Unitless O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1 Flavone 525-82-6|Flavone|2-phenyl-1-benzopyran-4-one|2-Phenyl-4-benzopyron|2-Phenyl-4-chromone|2-Phenyl-4H-1-benzopyran-4-one|2-Phenyl-4H-benzopyran-4-one|2-Phenyl-4H-chromen-4-on|2-Phenyl-4H-chromen-4-one|2-Phenyl-gamma-benzopyrone|2-Phenyl-g-benzopyrone|2-Phenylbenzopyran-4-one|2-phenylchromen-4-one|2-Phenylchromone|4H-1-Benzopyran-4-one, 2-phenyl-|5-17-10-00552|Asmacoril|BRN 0157598|Chromocor|Cromaril|Cromarile|EINECS 208-383-8|flavona|NSC 19028|Phenylchromone|UNII-S2V45N7G3B|11091-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022048
ARPathway2016 ARPathway2016_1502 Fluazifop-butyl 69806-50-4 DTXSID3034612 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)C(C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 Fluazifop-butyl 69806-50-4|Fluazifop-butyl|(+/-)-Butyl-2-(4-(((5-trifluoro-methyl)-2-pyridinyl)oxy)phenoxy)propanoate|274-125-6|Butyl 2-(4-(5-trifluoromethyl-2-pyridinyloxy)phenoxy)propanoate|Butyl a-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionate|Caswell No. 460C|EC No.: 274-125-6|EINECS 274-125-6|Fusilade|Fusilade 4E|Fusilade W|Hache uno super|Halokon|Onecide|Onecide EC|PC 122805|PC Code 122805|Propionic acid, 2-(p-((5-(trifluoromethyl)-2-pyridyl)oxy)phenoxy)-, butyl ester|TF 1169|UNII-12O1Z35LQA|86334-14-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034612
ARPathway2016 ARPathway2016_1502 Fluazifop-butyl 69806-50-4 DTXSID3034612 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)C(C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 Fluazifop-butyl 69806-50-4|Fluazifop-butyl|(+/-)-Butyl-2-(4-(((5-trifluoro-methyl)-2-pyridinyl)oxy)phenoxy)propanoate|274-125-6|Butyl 2-(4-(5-trifluoromethyl-2-pyridinyloxy)phenoxy)propanoate|Butyl a-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionate|Caswell No. 460C|EC No.: 274-125-6|EINECS 274-125-6|Fusilade|Fusilade 4E|Fusilade W|Hache uno super|Halokon|Onecide|Onecide EC|PC 122805|PC Code 122805|Propionic acid, 2-(p-((5-(trifluoromethyl)-2-pyridyl)oxy)phenoxy)-, butyl ester|TF 1169|UNII-12O1Z35LQA|86334-14-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034612
ARPathway2016 ARPathway2016_1502 Fluazifop-butyl 69806-50-4 DTXSID3034612 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)C(C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 Fluazifop-butyl 69806-50-4|Fluazifop-butyl|(+/-)-Butyl-2-(4-(((5-trifluoro-methyl)-2-pyridinyl)oxy)phenoxy)propanoate|274-125-6|Butyl 2-(4-(5-trifluoromethyl-2-pyridinyloxy)phenoxy)propanoate|Butyl a-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionate|Caswell No. 460C|EC No.: 274-125-6|EINECS 274-125-6|Fusilade|Fusilade 4E|Fusilade W|Hache uno super|Halokon|Onecide|Onecide EC|PC 122805|PC Code 122805|Propionic acid, 2-(p-((5-(trifluoromethyl)-2-pyridyl)oxy)phenoxy)-, butyl ester|TF 1169|UNII-12O1Z35LQA|86334-14-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034612
ARPathway2016 ARPathway2016_1502 Fluazifop-butyl 69806-50-4 DTXSID3034612 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)C(C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 Fluazifop-butyl 69806-50-4|Fluazifop-butyl|(+/-)-Butyl-2-(4-(((5-trifluoro-methyl)-2-pyridinyl)oxy)phenoxy)propanoate|274-125-6|Butyl 2-(4-(5-trifluoromethyl-2-pyridinyloxy)phenoxy)propanoate|Butyl a-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionate|Caswell No. 460C|EC No.: 274-125-6|EINECS 274-125-6|Fusilade|Fusilade 4E|Fusilade W|Hache uno super|Halokon|Onecide|Onecide EC|PC 122805|PC Code 122805|Propionic acid, 2-(p-((5-(trifluoromethyl)-2-pyridyl)oxy)phenoxy)-, butyl ester|TF 1169|UNII-12O1Z35LQA|86334-14-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034612
ERPathway2016 ERPathway2016_1621 Fluazifop-butyl 69806-50-4 DTXSID3034612 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)C(C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 Fluazifop-butyl 69806-50-4|Fluazifop-butyl|(+/-)-Butyl-2-(4-(((5-trifluoro-methyl)-2-pyridinyl)oxy)phenoxy)propanoate|274-125-6|Butyl 2-(4-(5-trifluoromethyl-2-pyridinyloxy)phenoxy)propanoate|Butyl a-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionate|Caswell No. 460C|EC No.: 274-125-6|EINECS 274-125-6|Fusilade|Fusilade 4E|Fusilade W|Hache uno super|Halokon|Onecide|Onecide EC|PC 122805|PC Code 122805|Propionic acid, 2-(p-((5-(trifluoromethyl)-2-pyridyl)oxy)phenoxy)-, butyl ester|TF 1169|UNII-12O1Z35LQA|86334-14-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034612
ERPathway2016 ERPathway2016_1621 Fluazifop-butyl 69806-50-4 DTXSID3034612 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)C(C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 Fluazifop-butyl 69806-50-4|Fluazifop-butyl|(+/-)-Butyl-2-(4-(((5-trifluoro-methyl)-2-pyridinyl)oxy)phenoxy)propanoate|274-125-6|Butyl 2-(4-(5-trifluoromethyl-2-pyridinyloxy)phenoxy)propanoate|Butyl a-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionate|Caswell No. 460C|EC No.: 274-125-6|EINECS 274-125-6|Fusilade|Fusilade 4E|Fusilade W|Hache uno super|Halokon|Onecide|Onecide EC|PC 122805|PC Code 122805|Propionic acid, 2-(p-((5-(trifluoromethyl)-2-pyridyl)oxy)phenoxy)-, butyl ester|TF 1169|UNII-12O1Z35LQA|86334-14-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034612
ERPathway2016 ERPathway2016_1621 Fluazifop-butyl 69806-50-4 DTXSID3034612 ER Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)C(C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 Fluazifop-butyl 69806-50-4|Fluazifop-butyl|(+/-)-Butyl-2-(4-(((5-trifluoro-methyl)-2-pyridinyl)oxy)phenoxy)propanoate|274-125-6|Butyl 2-(4-(5-trifluoromethyl-2-pyridinyloxy)phenoxy)propanoate|Butyl a-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionate|Caswell No. 460C|EC No.: 274-125-6|EINECS 274-125-6|Fusilade|Fusilade 4E|Fusilade W|Hache uno super|Halokon|Onecide|Onecide EC|PC 122805|PC Code 122805|Propionic acid, 2-(p-((5-(trifluoromethyl)-2-pyridyl)oxy)phenoxy)-, butyl ester|TF 1169|UNII-12O1Z35LQA|86334-14-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034612
ERPathway2016 ERPathway2016_1621 Fluazifop-butyl 69806-50-4 DTXSID3034612 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)C(C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1 Fluazifop-butyl 69806-50-4|Fluazifop-butyl|(+/-)-Butyl-2-(4-(((5-trifluoro-methyl)-2-pyridinyl)oxy)phenoxy)propanoate|274-125-6|Butyl 2-(4-(5-trifluoromethyl-2-pyridinyloxy)phenoxy)propanoate|Butyl a-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionate|Caswell No. 460C|EC No.: 274-125-6|EINECS 274-125-6|Fusilade|Fusilade 4E|Fusilade W|Hache uno super|Halokon|Onecide|Onecide EC|PC 122805|PC Code 122805|Propionic acid, 2-(p-((5-(trifluoromethyl)-2-pyridyl)oxy)phenoxy)-, butyl ester|TF 1169|UNII-12O1Z35LQA|86334-14-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034612
ARPathway2016 ARPathway2016_280 Fluazinam 79622-59-6 DTXSID7032551 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 4.97250472399999 uM [O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1=C(Cl)C=C(C=N1)C(F)(F)F)[N+]([O-])=O)C(F)(F)F Fluazinam 79622-59-6|Fluazinam|2- Pyridinamine, 3- chloro- N- [3- chloro- 2, 6- dinitro- 4- (trifluoromethyl) phenyl] - 5- (trifluoromethyl) -|3-chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|3-Chloro-N-(5-chloro-2,6-dinitro-4-trifluoromethylphenyl)-5-trifluoromethyl-2-pyridinamine|3-Chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2-pyridinamine|Altima|EC No.: 616-712-5|Frowncide SC|IKF 1216|Mapro|N-(3-Chloro-5-trifluoromethyl-2-pyridyl)-2,6-dinitro-3-chloro-4-trifluoromethylaniline|Omega (pesticide)|Sekoya|Shirlan Flow|UNII-0P91PCK33Q|Zignal|113015-31-9|1135442-54-4|160170-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032551
ARPathway2016 ARPathway2016_280 Fluazinam 79622-59-6 DTXSID7032551 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 1.94236609079588 uM [O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1=C(Cl)C=C(C=N1)C(F)(F)F)[N+]([O-])=O)C(F)(F)F Fluazinam 79622-59-6|Fluazinam|2- Pyridinamine, 3- chloro- N- [3- chloro- 2, 6- dinitro- 4- (trifluoromethyl) phenyl] - 5- (trifluoromethyl) -|3-chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|3-Chloro-N-(5-chloro-2,6-dinitro-4-trifluoromethylphenyl)-5-trifluoromethyl-2-pyridinamine|3-Chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2-pyridinamine|Altima|EC No.: 616-712-5|Frowncide SC|IKF 1216|Mapro|N-(3-Chloro-5-trifluoromethyl-2-pyridyl)-2,6-dinitro-3-chloro-4-trifluoromethylaniline|Omega (pesticide)|Sekoya|Shirlan Flow|UNII-0P91PCK33Q|Zignal|113015-31-9|1135442-54-4|160170-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032551
ARPathway2016 ARPathway2016_280 Fluazinam 79622-59-6 DTXSID7032551 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.155 Unitless [O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1=C(Cl)C=C(C=N1)C(F)(F)F)[N+]([O-])=O)C(F)(F)F Fluazinam 79622-59-6|Fluazinam|2- Pyridinamine, 3- chloro- N- [3- chloro- 2, 6- dinitro- 4- (trifluoromethyl) phenyl] - 5- (trifluoromethyl) -|3-chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|3-Chloro-N-(5-chloro-2,6-dinitro-4-trifluoromethylphenyl)-5-trifluoromethyl-2-pyridinamine|3-Chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2-pyridinamine|Altima|EC No.: 616-712-5|Frowncide SC|IKF 1216|Mapro|N-(3-Chloro-5-trifluoromethyl-2-pyridyl)-2,6-dinitro-3-chloro-4-trifluoromethylaniline|Omega (pesticide)|Sekoya|Shirlan Flow|UNII-0P91PCK33Q|Zignal|113015-31-9|1135442-54-4|160170-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032551
ARPathway2016 ARPathway2016_280 Fluazinam 79622-59-6 DTXSID7032551 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0.0158 Unitless [O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1=C(Cl)C=C(C=N1)C(F)(F)F)[N+]([O-])=O)C(F)(F)F Fluazinam 79622-59-6|Fluazinam|2- Pyridinamine, 3- chloro- N- [3- chloro- 2, 6- dinitro- 4- (trifluoromethyl) phenyl] - 5- (trifluoromethyl) -|3-chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|3-Chloro-N-(5-chloro-2,6-dinitro-4-trifluoromethylphenyl)-5-trifluoromethyl-2-pyridinamine|3-Chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2-pyridinamine|Altima|EC No.: 616-712-5|Frowncide SC|IKF 1216|Mapro|N-(3-Chloro-5-trifluoromethyl-2-pyridyl)-2,6-dinitro-3-chloro-4-trifluoromethylaniline|Omega (pesticide)|Sekoya|Shirlan Flow|UNII-0P91PCK33Q|Zignal|113015-31-9|1135442-54-4|160170-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032551
ARPathway2016 ARPathway2016_280 Fluazinam 79622-59-6 DTXSID7032551 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1=C(Cl)C=C(C=N1)C(F)(F)F)[N+]([O-])=O)C(F)(F)F Fluazinam 79622-59-6|Fluazinam|2- Pyridinamine, 3- chloro- N- [3- chloro- 2, 6- dinitro- 4- (trifluoromethyl) phenyl] - 5- (trifluoromethyl) -|3-chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|3-Chloro-N-(5-chloro-2,6-dinitro-4-trifluoromethylphenyl)-5-trifluoromethyl-2-pyridinamine|3-Chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2-pyridinamine|Altima|EC No.: 616-712-5|Frowncide SC|IKF 1216|Mapro|N-(3-Chloro-5-trifluoromethyl-2-pyridyl)-2,6-dinitro-3-chloro-4-trifluoromethylaniline|Omega (pesticide)|Sekoya|Shirlan Flow|UNII-0P91PCK33Q|Zignal|113015-31-9|1135442-54-4|160170-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032551
ARPathway2016 ARPathway2016_280 Fluazinam 79622-59-6 DTXSID7032551 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1=C(Cl)C=C(C=N1)C(F)(F)F)[N+]([O-])=O)C(F)(F)F Fluazinam 79622-59-6|Fluazinam|2- Pyridinamine, 3- chloro- N- [3- chloro- 2, 6- dinitro- 4- (trifluoromethyl) phenyl] - 5- (trifluoromethyl) -|3-chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|3-Chloro-N-(5-chloro-2,6-dinitro-4-trifluoromethylphenyl)-5-trifluoromethyl-2-pyridinamine|3-Chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2-pyridinamine|Altima|EC No.: 616-712-5|Frowncide SC|IKF 1216|Mapro|N-(3-Chloro-5-trifluoromethyl-2-pyridyl)-2,6-dinitro-3-chloro-4-trifluoromethylaniline|Omega (pesticide)|Sekoya|Shirlan Flow|UNII-0P91PCK33Q|Zignal|113015-31-9|1135442-54-4|160170-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032551
ERPathway2016 ERPathway2016_99 Fluazinam 79622-59-6 DTXSID7032551 ER Pathway Model, Agonist AC50 54.6307064100095 uM [O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1=C(Cl)C=C(C=N1)C(F)(F)F)[N+]([O-])=O)C(F)(F)F Fluazinam 79622-59-6|Fluazinam|2- Pyridinamine, 3- chloro- N- [3- chloro- 2, 6- dinitro- 4- (trifluoromethyl) phenyl] - 5- (trifluoromethyl) -|3-chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|3-Chloro-N-(5-chloro-2,6-dinitro-4-trifluoromethylphenyl)-5-trifluoromethyl-2-pyridinamine|3-Chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2-pyridinamine|Altima|EC No.: 616-712-5|Frowncide SC|IKF 1216|Mapro|N-(3-Chloro-5-trifluoromethyl-2-pyridyl)-2,6-dinitro-3-chloro-4-trifluoromethylaniline|Omega (pesticide)|Sekoya|Shirlan Flow|UNII-0P91PCK33Q|Zignal|113015-31-9|1135442-54-4|160170-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032551
ERPathway2016 ERPathway2016_99 Fluazinam 79622-59-6 DTXSID7032551 ER Pathway Model, Agonist ACC 53.4447316568042 uM [O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1=C(Cl)C=C(C=N1)C(F)(F)F)[N+]([O-])=O)C(F)(F)F Fluazinam 79622-59-6|Fluazinam|2- Pyridinamine, 3- chloro- N- [3- chloro- 2, 6- dinitro- 4- (trifluoromethyl) phenyl] - 5- (trifluoromethyl) -|3-chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|3-Chloro-N-(5-chloro-2,6-dinitro-4-trifluoromethylphenyl)-5-trifluoromethyl-2-pyridinamine|3-Chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2-pyridinamine|Altima|EC No.: 616-712-5|Frowncide SC|IKF 1216|Mapro|N-(3-Chloro-5-trifluoromethyl-2-pyridyl)-2,6-dinitro-3-chloro-4-trifluoromethylaniline|Omega (pesticide)|Sekoya|Shirlan Flow|UNII-0P91PCK33Q|Zignal|113015-31-9|1135442-54-4|160170-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032551
ERPathway2016 ERPathway2016_99 Fluazinam 79622-59-6 DTXSID7032551 ER Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1=C(Cl)C=C(C=N1)C(F)(F)F)[N+]([O-])=O)C(F)(F)F Fluazinam 79622-59-6|Fluazinam|2- Pyridinamine, 3- chloro- N- [3- chloro- 2, 6- dinitro- 4- (trifluoromethyl) phenyl] - 5- (trifluoromethyl) -|3-chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|3-Chloro-N-(5-chloro-2,6-dinitro-4-trifluoromethylphenyl)-5-trifluoromethyl-2-pyridinamine|3-Chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2-pyridinamine|Altima|EC No.: 616-712-5|Frowncide SC|IKF 1216|Mapro|N-(3-Chloro-5-trifluoromethyl-2-pyridyl)-2,6-dinitro-3-chloro-4-trifluoromethylaniline|Omega (pesticide)|Sekoya|Shirlan Flow|UNII-0P91PCK33Q|Zignal|113015-31-9|1135442-54-4|160170-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032551
ERPathway2016 ERPathway2016_99 Fluazinam 79622-59-6 DTXSID7032551 ER Pathway Model, Antagonist Model Score 0.00891 Unitless [O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1=C(Cl)C=C(C=N1)C(F)(F)F)[N+]([O-])=O)C(F)(F)F Fluazinam 79622-59-6|Fluazinam|2- Pyridinamine, 3- chloro- N- [3- chloro- 2, 6- dinitro- 4- (trifluoromethyl) phenyl] - 5- (trifluoromethyl) -|3-chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|3-Chloro-N-(5-chloro-2,6-dinitro-4-trifluoromethylphenyl)-5-trifluoromethyl-2-pyridinamine|3-Chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2-pyridinamine|Altima|EC No.: 616-712-5|Frowncide SC|IKF 1216|Mapro|N-(3-Chloro-5-trifluoromethyl-2-pyridyl)-2,6-dinitro-3-chloro-4-trifluoromethylaniline|Omega (pesticide)|Sekoya|Shirlan Flow|UNII-0P91PCK33Q|Zignal|113015-31-9|1135442-54-4|160170-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032551
ERPathway2016 ERPathway2016_99 Fluazinam 79622-59-6 DTXSID7032551 ER Pathway Model, Agonist Call Active Unitless [O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1=C(Cl)C=C(C=N1)C(F)(F)F)[N+]([O-])=O)C(F)(F)F Fluazinam 79622-59-6|Fluazinam|2- Pyridinamine, 3- chloro- N- [3- chloro- 2, 6- dinitro- 4- (trifluoromethyl) phenyl] - 5- (trifluoromethyl) -|3-chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|3-Chloro-N-(5-chloro-2,6-dinitro-4-trifluoromethylphenyl)-5-trifluoromethyl-2-pyridinamine|3-Chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2-pyridinamine|Altima|EC No.: 616-712-5|Frowncide SC|IKF 1216|Mapro|N-(3-Chloro-5-trifluoromethyl-2-pyridyl)-2,6-dinitro-3-chloro-4-trifluoromethylaniline|Omega (pesticide)|Sekoya|Shirlan Flow|UNII-0P91PCK33Q|Zignal|113015-31-9|1135442-54-4|160170-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032551
ERPathway2016 ERPathway2016_99 Fluazinam 79622-59-6 DTXSID7032551 ER Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1=C(Cl)C=C(C=N1)C(F)(F)F)[N+]([O-])=O)C(F)(F)F Fluazinam 79622-59-6|Fluazinam|2- Pyridinamine, 3- chloro- N- [3- chloro- 2, 6- dinitro- 4- (trifluoromethyl) phenyl] - 5- (trifluoromethyl) -|3-chloro-N-(3-chloro-5-trifluoromethyl-2-pyridyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|3-Chloro-N-(5-chloro-2,6-dinitro-4-trifluoromethylphenyl)-5-trifluoromethyl-2-pyridinamine|3-Chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2-pyridinamine|Altima|EC No.: 616-712-5|Frowncide SC|IKF 1216|Mapro|N-(3-Chloro-5-trifluoromethyl-2-pyridyl)-2,6-dinitro-3-chloro-4-trifluoromethylaniline|Omega (pesticide)|Sekoya|Shirlan Flow|UNII-0P91PCK33Q|Zignal|113015-31-9|1135442-54-4|160170-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032551
ARPathway2016 ARPathway2016_948 Flucarbazone-sodium 181274-17-9 DTXSID3034614 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].COC1=NN(C(=O)[N-]S(=O)(=O)C2=C(OC(F)(F)F)C=CC=C2)C(=O)N1C Flucarbazone-sodium 181274-17-9|Flucarbazone-sodium|1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt|1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1)|BAY-MKH 6562|EC No.: 605-921-7|Everest|MKH 6562|SJO 0498|sodium 3-methoxy-4-methyl-5-oxo-N-{[2-(trifluoromethoxy)phenyl]sulfonyl}-4,5-dihydro-1H-1,2,4-triazole-1-carboximidate|UNII-76VQM4L12C https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034614
ARPathway2016 ARPathway2016_948 Flucarbazone-sodium 181274-17-9 DTXSID3034614 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].COC1=NN(C(=O)[N-]S(=O)(=O)C2=C(OC(F)(F)F)C=CC=C2)C(=O)N1C Flucarbazone-sodium 181274-17-9|Flucarbazone-sodium|1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt|1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1)|BAY-MKH 6562|EC No.: 605-921-7|Everest|MKH 6562|SJO 0498|sodium 3-methoxy-4-methyl-5-oxo-N-{[2-(trifluoromethoxy)phenyl]sulfonyl}-4,5-dihydro-1H-1,2,4-triazole-1-carboximidate|UNII-76VQM4L12C https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034614
ARPathway2016 ARPathway2016_948 Flucarbazone-sodium 181274-17-9 DTXSID3034614 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].COC1=NN(C(=O)[N-]S(=O)(=O)C2=C(OC(F)(F)F)C=CC=C2)C(=O)N1C Flucarbazone-sodium 181274-17-9|Flucarbazone-sodium|1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt|1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1)|BAY-MKH 6562|EC No.: 605-921-7|Everest|MKH 6562|SJO 0498|sodium 3-methoxy-4-methyl-5-oxo-N-{[2-(trifluoromethoxy)phenyl]sulfonyl}-4,5-dihydro-1H-1,2,4-triazole-1-carboximidate|UNII-76VQM4L12C https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034614
ARPathway2016 ARPathway2016_948 Flucarbazone-sodium 181274-17-9 DTXSID3034614 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].COC1=NN(C(=O)[N-]S(=O)(=O)C2=C(OC(F)(F)F)C=CC=C2)C(=O)N1C Flucarbazone-sodium 181274-17-9|Flucarbazone-sodium|1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt|1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1)|BAY-MKH 6562|EC No.: 605-921-7|Everest|MKH 6562|SJO 0498|sodium 3-methoxy-4-methyl-5-oxo-N-{[2-(trifluoromethoxy)phenyl]sulfonyl}-4,5-dihydro-1H-1,2,4-triazole-1-carboximidate|UNII-76VQM4L12C https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034614
ERPathway2016 ERPathway2016_1350 Flucarbazone-sodium 181274-17-9 DTXSID3034614 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].COC1=NN(C(=O)[N-]S(=O)(=O)C2=C(OC(F)(F)F)C=CC=C2)C(=O)N1C Flucarbazone-sodium 181274-17-9|Flucarbazone-sodium|1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt|1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1)|BAY-MKH 6562|EC No.: 605-921-7|Everest|MKH 6562|SJO 0498|sodium 3-methoxy-4-methyl-5-oxo-N-{[2-(trifluoromethoxy)phenyl]sulfonyl}-4,5-dihydro-1H-1,2,4-triazole-1-carboximidate|UNII-76VQM4L12C https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034614
ERPathway2016 ERPathway2016_1350 Flucarbazone-sodium 181274-17-9 DTXSID3034614 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].COC1=NN(C(=O)[N-]S(=O)(=O)C2=C(OC(F)(F)F)C=CC=C2)C(=O)N1C Flucarbazone-sodium 181274-17-9|Flucarbazone-sodium|1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt|1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1)|BAY-MKH 6562|EC No.: 605-921-7|Everest|MKH 6562|SJO 0498|sodium 3-methoxy-4-methyl-5-oxo-N-{[2-(trifluoromethoxy)phenyl]sulfonyl}-4,5-dihydro-1H-1,2,4-triazole-1-carboximidate|UNII-76VQM4L12C https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034614
ERPathway2016 ERPathway2016_1350 Flucarbazone-sodium 181274-17-9 DTXSID3034614 ER Pathway Model, Agonist Call Inactive Unitless [Na+].COC1=NN(C(=O)[N-]S(=O)(=O)C2=C(OC(F)(F)F)C=CC=C2)C(=O)N1C Flucarbazone-sodium 181274-17-9|Flucarbazone-sodium|1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt|1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1)|BAY-MKH 6562|EC No.: 605-921-7|Everest|MKH 6562|SJO 0498|sodium 3-methoxy-4-methyl-5-oxo-N-{[2-(trifluoromethoxy)phenyl]sulfonyl}-4,5-dihydro-1H-1,2,4-triazole-1-carboximidate|UNII-76VQM4L12C https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034614
ERPathway2016 ERPathway2016_1350 Flucarbazone-sodium 181274-17-9 DTXSID3034614 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].COC1=NN(C(=O)[N-]S(=O)(=O)C2=C(OC(F)(F)F)C=CC=C2)C(=O)N1C Flucarbazone-sodium 181274-17-9|Flucarbazone-sodium|1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt|1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1)|BAY-MKH 6562|EC No.: 605-921-7|Everest|MKH 6562|SJO 0498|sodium 3-methoxy-4-methyl-5-oxo-N-{[2-(trifluoromethoxy)phenyl]sulfonyl}-4,5-dihydro-1H-1,2,4-triazole-1-carboximidate|UNII-76VQM4L12C https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034614
ARPathway2016 ARPathway2016_1653 Fluconazole 86386-73-4 DTXSID3020627 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1 Fluconazole 86386-73-4|Fluconazole|1-(2,4-Difluorophenyl)-1,1-bis[(1H-1,2,4-triazol-1-yl)methyl]methanol|1H-1,2,4-Triazole-1-ethanol, a-(2,4-difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-|2- (2,4-difluorophenyl)-1,3-bis (1H-1,2,4- triazol-1-yl)-2-propanol|2-(2,4-Difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-propan-2-ol|2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)-2-propanol|2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol|Afungil|Alflucoz|Alkanazole|alpha-(2,4-Difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol|Biocanol|Biozolene|Cryptal|Diflucan|Difluconazole|Dimycon|Elazor|Floroxan|Flucan|Flucazol|Fluconal|Fluconazol|Fluconazolum|Flucostat|Flukezol|Flumycon|Flunazol|Flunizol|Flusol|Flutec|Fluzon|Fungata|Fungican|Fungicon|Oxifugol|Pritenzol|Triconal|Triflucan|UK 49858|UNII-8VZV102JFY|Zocon|Zoltec|a-(2,4-Difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol|123631-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020627
ARPathway2016 ARPathway2016_1653 Fluconazole 86386-73-4 DTXSID3020627 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1 Fluconazole 86386-73-4|Fluconazole|1-(2,4-Difluorophenyl)-1,1-bis[(1H-1,2,4-triazol-1-yl)methyl]methanol|1H-1,2,4-Triazole-1-ethanol, a-(2,4-difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-|2- (2,4-difluorophenyl)-1,3-bis (1H-1,2,4- triazol-1-yl)-2-propanol|2-(2,4-Difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-propan-2-ol|2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)-2-propanol|2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol|Afungil|Alflucoz|Alkanazole|alpha-(2,4-Difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol|Biocanol|Biozolene|Cryptal|Diflucan|Difluconazole|Dimycon|Elazor|Floroxan|Flucan|Flucazol|Fluconal|Fluconazol|Fluconazolum|Flucostat|Flukezol|Flumycon|Flunazol|Flunizol|Flusol|Flutec|Fluzon|Fungata|Fungican|Fungicon|Oxifugol|Pritenzol|Triconal|Triflucan|UK 49858|UNII-8VZV102JFY|Zocon|Zoltec|a-(2,4-Difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol|123631-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020627
ARPathway2016 ARPathway2016_1653 Fluconazole 86386-73-4 DTXSID3020627 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1 Fluconazole 86386-73-4|Fluconazole|1-(2,4-Difluorophenyl)-1,1-bis[(1H-1,2,4-triazol-1-yl)methyl]methanol|1H-1,2,4-Triazole-1-ethanol, a-(2,4-difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-|2- (2,4-difluorophenyl)-1,3-bis (1H-1,2,4- triazol-1-yl)-2-propanol|2-(2,4-Difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-propan-2-ol|2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)-2-propanol|2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol|Afungil|Alflucoz|Alkanazole|alpha-(2,4-Difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol|Biocanol|Biozolene|Cryptal|Diflucan|Difluconazole|Dimycon|Elazor|Floroxan|Flucan|Flucazol|Fluconal|Fluconazol|Fluconazolum|Flucostat|Flukezol|Flumycon|Flunazol|Flunizol|Flusol|Flutec|Fluzon|Fungata|Fungican|Fungicon|Oxifugol|Pritenzol|Triconal|Triflucan|UK 49858|UNII-8VZV102JFY|Zocon|Zoltec|a-(2,4-Difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol|123631-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020627
ARPathway2016 ARPathway2016_1653 Fluconazole 86386-73-4 DTXSID3020627 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1 Fluconazole 86386-73-4|Fluconazole|1-(2,4-Difluorophenyl)-1,1-bis[(1H-1,2,4-triazol-1-yl)methyl]methanol|1H-1,2,4-Triazole-1-ethanol, a-(2,4-difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-|2- (2,4-difluorophenyl)-1,3-bis (1H-1,2,4- triazol-1-yl)-2-propanol|2-(2,4-Difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-propan-2-ol|2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)-2-propanol|2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol|Afungil|Alflucoz|Alkanazole|alpha-(2,4-Difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol|Biocanol|Biozolene|Cryptal|Diflucan|Difluconazole|Dimycon|Elazor|Floroxan|Flucan|Flucazol|Fluconal|Fluconazol|Fluconazolum|Flucostat|Flukezol|Flumycon|Flunazol|Flunizol|Flusol|Flutec|Fluzon|Fungata|Fungican|Fungicon|Oxifugol|Pritenzol|Triconal|Triflucan|UK 49858|UNII-8VZV102JFY|Zocon|Zoltec|a-(2,4-Difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol|123631-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020627
ERPathway2016 ERPathway2016_1709 Fluconazole 86386-73-4 DTXSID3020627 ER Pathway Model, Agonist Model Score 0 Unitless OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1 Fluconazole 86386-73-4|Fluconazole|1-(2,4-Difluorophenyl)-1,1-bis[(1H-1,2,4-triazol-1-yl)methyl]methanol|1H-1,2,4-Triazole-1-ethanol, a-(2,4-difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-|2- (2,4-difluorophenyl)-1,3-bis (1H-1,2,4- triazol-1-yl)-2-propanol|2-(2,4-Difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-propan-2-ol|2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)-2-propanol|2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol|Afungil|Alflucoz|Alkanazole|alpha-(2,4-Difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol|Biocanol|Biozolene|Cryptal|Diflucan|Difluconazole|Dimycon|Elazor|Floroxan|Flucan|Flucazol|Fluconal|Fluconazol|Fluconazolum|Flucostat|Flukezol|Flumycon|Flunazol|Flunizol|Flusol|Flutec|Fluzon|Fungata|Fungican|Fungicon|Oxifugol|Pritenzol|Triconal|Triflucan|UK 49858|UNII-8VZV102JFY|Zocon|Zoltec|a-(2,4-Difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol|123631-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020627
ERPathway2016 ERPathway2016_1709 Fluconazole 86386-73-4 DTXSID3020627 ER Pathway Model, Antagonist Model Score 0 Unitless OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1 Fluconazole 86386-73-4|Fluconazole|1-(2,4-Difluorophenyl)-1,1-bis[(1H-1,2,4-triazol-1-yl)methyl]methanol|1H-1,2,4-Triazole-1-ethanol, a-(2,4-difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-|2- (2,4-difluorophenyl)-1,3-bis (1H-1,2,4- triazol-1-yl)-2-propanol|2-(2,4-Difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-propan-2-ol|2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)-2-propanol|2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol|Afungil|Alflucoz|Alkanazole|alpha-(2,4-Difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol|Biocanol|Biozolene|Cryptal|Diflucan|Difluconazole|Dimycon|Elazor|Floroxan|Flucan|Flucazol|Fluconal|Fluconazol|Fluconazolum|Flucostat|Flukezol|Flumycon|Flunazol|Flunizol|Flusol|Flutec|Fluzon|Fungata|Fungican|Fungicon|Oxifugol|Pritenzol|Triconal|Triflucan|UK 49858|UNII-8VZV102JFY|Zocon|Zoltec|a-(2,4-Difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol|123631-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020627
ERPathway2016 ERPathway2016_1709 Fluconazole 86386-73-4 DTXSID3020627 ER Pathway Model, Agonist Call Inactive Unitless OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1 Fluconazole 86386-73-4|Fluconazole|1-(2,4-Difluorophenyl)-1,1-bis[(1H-1,2,4-triazol-1-yl)methyl]methanol|1H-1,2,4-Triazole-1-ethanol, a-(2,4-difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-|2- (2,4-difluorophenyl)-1,3-bis (1H-1,2,4- triazol-1-yl)-2-propanol|2-(2,4-Difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-propan-2-ol|2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)-2-propanol|2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol|Afungil|Alflucoz|Alkanazole|alpha-(2,4-Difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol|Biocanol|Biozolene|Cryptal|Diflucan|Difluconazole|Dimycon|Elazor|Floroxan|Flucan|Flucazol|Fluconal|Fluconazol|Fluconazolum|Flucostat|Flukezol|Flumycon|Flunazol|Flunizol|Flusol|Flutec|Fluzon|Fungata|Fungican|Fungicon|Oxifugol|Pritenzol|Triconal|Triflucan|UK 49858|UNII-8VZV102JFY|Zocon|Zoltec|a-(2,4-Difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol|123631-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020627
ERPathway2016 ERPathway2016_1709 Fluconazole 86386-73-4 DTXSID3020627 ER Pathway Model, Antagonist Call Inactive Unitless OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1 Fluconazole 86386-73-4|Fluconazole|1-(2,4-Difluorophenyl)-1,1-bis[(1H-1,2,4-triazol-1-yl)methyl]methanol|1H-1,2,4-Triazole-1-ethanol, a-(2,4-difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-|2- (2,4-difluorophenyl)-1,3-bis (1H-1,2,4- triazol-1-yl)-2-propanol|2-(2,4-Difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-propan-2-ol|2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)-2-propanol|2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol|Afungil|Alflucoz|Alkanazole|alpha-(2,4-Difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol|Biocanol|Biozolene|Cryptal|Diflucan|Difluconazole|Dimycon|Elazor|Floroxan|Flucan|Flucazol|Fluconal|Fluconazol|Fluconazolum|Flucostat|Flukezol|Flumycon|Flunazol|Flunizol|Flusol|Flutec|Fluzon|Fungata|Fungican|Fungicon|Oxifugol|Pritenzol|Triconal|Triflucan|UK 49858|UNII-8VZV102JFY|Zocon|Zoltec|a-(2,4-Difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol|123631-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020627
ARPathway2016 ARPathway2016_776 Fludioxonil 131341-86-1 DTXSID2032398 True antagonist shift (Hit/Hit) 3.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless FC1(F)OC2=CC=CC(=C2O1)C1=CNC=C1C#N Fludioxonil 131341-86-1|Fludioxonil|1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-|4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile|Beret Gold|Celeste|CGA 173506|CGA-173506|Fludixonil|Geoxe|Maxim|Maxim (pesticide)|Maxim 4FS|Maxim PSP|Maxin XL|Saphire|Savior|Scholar|Seibia|Spirato|Spirato 480 FS|UNII-ENS9J0YM16|1135442-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032398
ARPathway2016 ARPathway2016_776 Fludioxonil 131341-86-1 DTXSID2032398 True antagonist shift (Hit/Hit) 3.0 R7 AR Pathway Model, Agonist Call Inactive Unitless FC1(F)OC2=CC=CC(=C2O1)C1=CNC=C1C#N Fludioxonil 131341-86-1|Fludioxonil|1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-|4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile|Beret Gold|Celeste|CGA 173506|CGA-173506|Fludixonil|Geoxe|Maxim|Maxim (pesticide)|Maxim 4FS|Maxim PSP|Maxin XL|Saphire|Savior|Scholar|Seibia|Spirato|Spirato 480 FS|UNII-ENS9J0YM16|1135442-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032398
ARPathway2016 ARPathway2016_776 Fludioxonil 131341-86-1 DTXSID2032398 True antagonist shift (Hit/Hit) 3.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless FC1(F)OC2=CC=CC(=C2O1)C1=CNC=C1C#N Fludioxonil 131341-86-1|Fludioxonil|1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-|4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile|Beret Gold|Celeste|CGA 173506|CGA-173506|Fludixonil|Geoxe|Maxim|Maxim (pesticide)|Maxim 4FS|Maxim PSP|Maxin XL|Saphire|Savior|Scholar|Seibia|Spirato|Spirato 480 FS|UNII-ENS9J0YM16|1135442-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032398
ARPathway2016 ARPathway2016_776 Fludioxonil 131341-86-1 DTXSID2032398 True antagonist shift (Hit/Hit) 3.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless FC1(F)OC2=CC=CC(=C2O1)C1=CNC=C1C#N Fludioxonil 131341-86-1|Fludioxonil|1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-|4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile|Beret Gold|Celeste|CGA 173506|CGA-173506|Fludixonil|Geoxe|Maxim|Maxim (pesticide)|Maxim 4FS|Maxim PSP|Maxin XL|Saphire|Savior|Scholar|Seibia|Spirato|Spirato 480 FS|UNII-ENS9J0YM16|1135442-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032398
ERPathway2016 ERPathway2016_274 Fludioxonil 131341-86-1 DTXSID2032398 ER Pathway Model, Antagonist AC50 6.80055706908589 uM FC1(F)OC2=CC=CC(=C2O1)C1=CNC=C1C#N Fludioxonil 131341-86-1|Fludioxonil|1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-|4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile|Beret Gold|Celeste|CGA 173506|CGA-173506|Fludixonil|Geoxe|Maxim|Maxim (pesticide)|Maxim 4FS|Maxim PSP|Maxin XL|Saphire|Savior|Scholar|Seibia|Spirato|Spirato 480 FS|UNII-ENS9J0YM16|1135442-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032398
ERPathway2016 ERPathway2016_274 Fludioxonil 131341-86-1 DTXSID2032398 ER Pathway Model, Antagonist ACC 6.74738800030245 uM FC1(F)OC2=CC=CC(=C2O1)C1=CNC=C1C#N Fludioxonil 131341-86-1|Fludioxonil|1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-|4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile|Beret Gold|Celeste|CGA 173506|CGA-173506|Fludixonil|Geoxe|Maxim|Maxim (pesticide)|Maxim 4FS|Maxim PSP|Maxin XL|Saphire|Savior|Scholar|Seibia|Spirato|Spirato 480 FS|UNII-ENS9J0YM16|1135442-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032398
ERPathway2016 ERPathway2016_274 Fludioxonil 131341-86-1 DTXSID2032398 ER Pathway Model, Agonist Model Score 0.0521 Unitless FC1(F)OC2=CC=CC(=C2O1)C1=CNC=C1C#N Fludioxonil 131341-86-1|Fludioxonil|1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-|4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile|Beret Gold|Celeste|CGA 173506|CGA-173506|Fludixonil|Geoxe|Maxim|Maxim (pesticide)|Maxim 4FS|Maxim PSP|Maxin XL|Saphire|Savior|Scholar|Seibia|Spirato|Spirato 480 FS|UNII-ENS9J0YM16|1135442-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032398
ERPathway2016 ERPathway2016_274 Fludioxonil 131341-86-1 DTXSID2032398 ER Pathway Model, Antagonist Model Score 0 Unitless FC1(F)OC2=CC=CC(=C2O1)C1=CNC=C1C#N Fludioxonil 131341-86-1|Fludioxonil|1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-|4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile|Beret Gold|Celeste|CGA 173506|CGA-173506|Fludixonil|Geoxe|Maxim|Maxim (pesticide)|Maxim 4FS|Maxim PSP|Maxin XL|Saphire|Savior|Scholar|Seibia|Spirato|Spirato 480 FS|UNII-ENS9J0YM16|1135442-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032398
ERPathway2016 ERPathway2016_274 Fludioxonil 131341-86-1 DTXSID2032398 ER Pathway Model, Agonist Call Inactive Unitless FC1(F)OC2=CC=CC(=C2O1)C1=CNC=C1C#N Fludioxonil 131341-86-1|Fludioxonil|1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-|4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile|Beret Gold|Celeste|CGA 173506|CGA-173506|Fludixonil|Geoxe|Maxim|Maxim (pesticide)|Maxim 4FS|Maxim PSP|Maxin XL|Saphire|Savior|Scholar|Seibia|Spirato|Spirato 480 FS|UNII-ENS9J0YM16|1135442-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032398
ERPathway2016 ERPathway2016_274 Fludioxonil 131341-86-1 DTXSID2032398 ER Pathway Model, Antagonist Call Active Unitless FC1(F)OC2=CC=CC(=C2O1)C1=CNC=C1C#N Fludioxonil 131341-86-1|Fludioxonil|1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-|4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile|Beret Gold|Celeste|CGA 173506|CGA-173506|Fludixonil|Geoxe|Maxim|Maxim (pesticide)|Maxim 4FS|Maxim PSP|Maxin XL|Saphire|Savior|Scholar|Seibia|Spirato|Spirato 480 FS|UNII-ENS9J0YM16|1135442-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032398
ARPathway2016 ARPathway2016_846 Flufenacet 142459-58-3 DTXSID2032552 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)N(C(=O)COC1=NN=C(S1)C(F)(F)F)C1=CC=C(F)C=C1 Flufenacet 142459-58-3|Flufenacet|4'-fluoro-N-isopropyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yloxy]acetanilide|Acetamide, N-(4-fluorophenyl)-N-(1-methylethyl)-2-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)oxy)-|BAY-FOE 5043|EINECS Annex I Index 613-164-00-9|Fluthiamid|Fluthiamide|FOE 5043|N-(4-Fluorophenyl)-N-(1-methylethyl)-2-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)oxy)acetamide|thiafluamide|UNII-OL44PP5145 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032552
ARPathway2016 ARPathway2016_846 Flufenacet 142459-58-3 DTXSID2032552 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)N(C(=O)COC1=NN=C(S1)C(F)(F)F)C1=CC=C(F)C=C1 Flufenacet 142459-58-3|Flufenacet|4'-fluoro-N-isopropyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yloxy]acetanilide|Acetamide, N-(4-fluorophenyl)-N-(1-methylethyl)-2-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)oxy)-|BAY-FOE 5043|EINECS Annex I Index 613-164-00-9|Fluthiamid|Fluthiamide|FOE 5043|N-(4-Fluorophenyl)-N-(1-methylethyl)-2-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)oxy)acetamide|thiafluamide|UNII-OL44PP5145 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032552
ARPathway2016 ARPathway2016_846 Flufenacet 142459-58-3 DTXSID2032552 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CC(C)N(C(=O)COC1=NN=C(S1)C(F)(F)F)C1=CC=C(F)C=C1 Flufenacet 142459-58-3|Flufenacet|4'-fluoro-N-isopropyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yloxy]acetanilide|Acetamide, N-(4-fluorophenyl)-N-(1-methylethyl)-2-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)oxy)-|BAY-FOE 5043|EINECS Annex I Index 613-164-00-9|Fluthiamid|Fluthiamide|FOE 5043|N-(4-Fluorophenyl)-N-(1-methylethyl)-2-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)oxy)acetamide|thiafluamide|UNII-OL44PP5145 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032552
ARPathway2016 ARPathway2016_846 Flufenacet 142459-58-3 DTXSID2032552 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)N(C(=O)COC1=NN=C(S1)C(F)(F)F)C1=CC=C(F)C=C1 Flufenacet 142459-58-3|Flufenacet|4'-fluoro-N-isopropyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yloxy]acetanilide|Acetamide, N-(4-fluorophenyl)-N-(1-methylethyl)-2-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)oxy)-|BAY-FOE 5043|EINECS Annex I Index 613-164-00-9|Fluthiamid|Fluthiamide|FOE 5043|N-(4-Fluorophenyl)-N-(1-methylethyl)-2-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)oxy)acetamide|thiafluamide|UNII-OL44PP5145 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032552
ERPathway2016 ERPathway2016_1302 Flufenacet 142459-58-3 DTXSID2032552 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)N(C(=O)COC1=NN=C(S1)C(F)(F)F)C1=CC=C(F)C=C1 Flufenacet 142459-58-3|Flufenacet|4'-fluoro-N-isopropyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yloxy]acetanilide|Acetamide, N-(4-fluorophenyl)-N-(1-methylethyl)-2-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)oxy)-|BAY-FOE 5043|EINECS Annex I Index 613-164-00-9|Fluthiamid|Fluthiamide|FOE 5043|N-(4-Fluorophenyl)-N-(1-methylethyl)-2-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)oxy)acetamide|thiafluamide|UNII-OL44PP5145 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032552
ERPathway2016 ERPathway2016_1302 Flufenacet 142459-58-3 DTXSID2032552 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)N(C(=O)COC1=NN=C(S1)C(F)(F)F)C1=CC=C(F)C=C1 Flufenacet 142459-58-3|Flufenacet|4'-fluoro-N-isopropyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yloxy]acetanilide|Acetamide, N-(4-fluorophenyl)-N-(1-methylethyl)-2-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)oxy)-|BAY-FOE 5043|EINECS Annex I Index 613-164-00-9|Fluthiamid|Fluthiamide|FOE 5043|N-(4-Fluorophenyl)-N-(1-methylethyl)-2-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)oxy)acetamide|thiafluamide|UNII-OL44PP5145 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032552
ERPathway2016 ERPathway2016_1302 Flufenacet 142459-58-3 DTXSID2032552 ER Pathway Model, Agonist Call Inactive Unitless CC(C)N(C(=O)COC1=NN=C(S1)C(F)(F)F)C1=CC=C(F)C=C1 Flufenacet 142459-58-3|Flufenacet|4'-fluoro-N-isopropyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yloxy]acetanilide|Acetamide, N-(4-fluorophenyl)-N-(1-methylethyl)-2-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)oxy)-|BAY-FOE 5043|EINECS Annex I Index 613-164-00-9|Fluthiamid|Fluthiamide|FOE 5043|N-(4-Fluorophenyl)-N-(1-methylethyl)-2-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)oxy)acetamide|thiafluamide|UNII-OL44PP5145 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032552
ERPathway2016 ERPathway2016_1302 Flufenacet 142459-58-3 DTXSID2032552 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)N(C(=O)COC1=NN=C(S1)C(F)(F)F)C1=CC=C(F)C=C1 Flufenacet 142459-58-3|Flufenacet|4'-fluoro-N-isopropyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yloxy]acetanilide|Acetamide, N-(4-fluorophenyl)-N-(1-methylethyl)-2-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)oxy)-|BAY-FOE 5043|EINECS Annex I Index 613-164-00-9|Fluthiamid|Fluthiamide|FOE 5043|N-(4-Fluorophenyl)-N-(1-methylethyl)-2-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)oxy)acetamide|thiafluamide|UNII-OL44PP5145 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032552
ARPathway2016 ARPathway2016_412 Flufenoxuron 101463-69-8 DTXSID1041978 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=C(F)C=C(OC2=C(Cl)C=C(C=C2)C(F)(F)F)C=C1 Flufenoxuron 101463-69-8|Flufenoxuron|1-[4-(2-Chloro-a,a,a-trifluoro-p-tolyloxy)-2-fluorophenyl]-3-(2,6-difluorobenzoyl)urea|Benzamide, N-[[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2- fluorophenyl]amino]carbonyl]-2,6-difluoro-|Benzamide, N- [[[4- [2- chloro- 4- (trifluoromethyl) phenoxy] - 2- fluorophenyl] amino] carbonyl] - 2, 6- difluoro-|Cascade|Cascade (pesticide)|ELINCS No.: 417-680-3|N-((4-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide|N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2- fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide|N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide|UNII-OD068OSS0N|WL 115110 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041978
ARPathway2016 ARPathway2016_412 Flufenoxuron 101463-69-8 DTXSID1041978 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=C(F)C=C(OC2=C(Cl)C=C(C=C2)C(F)(F)F)C=C1 Flufenoxuron 101463-69-8|Flufenoxuron|1-[4-(2-Chloro-a,a,a-trifluoro-p-tolyloxy)-2-fluorophenyl]-3-(2,6-difluorobenzoyl)urea|Benzamide, N-[[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2- fluorophenyl]amino]carbonyl]-2,6-difluoro-|Benzamide, N- [[[4- [2- chloro- 4- (trifluoromethyl) phenoxy] - 2- fluorophenyl] amino] carbonyl] - 2, 6- difluoro-|Cascade|Cascade (pesticide)|ELINCS No.: 417-680-3|N-((4-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide|N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2- fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide|N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide|UNII-OD068OSS0N|WL 115110 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041978
ARPathway2016 ARPathway2016_412 Flufenoxuron 101463-69-8 DTXSID1041978 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=C(F)C=C(OC2=C(Cl)C=C(C=C2)C(F)(F)F)C=C1 Flufenoxuron 101463-69-8|Flufenoxuron|1-[4-(2-Chloro-a,a,a-trifluoro-p-tolyloxy)-2-fluorophenyl]-3-(2,6-difluorobenzoyl)urea|Benzamide, N-[[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2- fluorophenyl]amino]carbonyl]-2,6-difluoro-|Benzamide, N- [[[4- [2- chloro- 4- (trifluoromethyl) phenoxy] - 2- fluorophenyl] amino] carbonyl] - 2, 6- difluoro-|Cascade|Cascade (pesticide)|ELINCS No.: 417-680-3|N-((4-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide|N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2- fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide|N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide|UNII-OD068OSS0N|WL 115110 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041978
ARPathway2016 ARPathway2016_412 Flufenoxuron 101463-69-8 DTXSID1041978 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=C(F)C=C(OC2=C(Cl)C=C(C=C2)C(F)(F)F)C=C1 Flufenoxuron 101463-69-8|Flufenoxuron|1-[4-(2-Chloro-a,a,a-trifluoro-p-tolyloxy)-2-fluorophenyl]-3-(2,6-difluorobenzoyl)urea|Benzamide, N-[[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2- fluorophenyl]amino]carbonyl]-2,6-difluoro-|Benzamide, N- [[[4- [2- chloro- 4- (trifluoromethyl) phenoxy] - 2- fluorophenyl] amino] carbonyl] - 2, 6- difluoro-|Cascade|Cascade (pesticide)|ELINCS No.: 417-680-3|N-((4-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide|N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2- fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide|N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide|UNII-OD068OSS0N|WL 115110 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041978
ERPathway2016 ERPathway2016_624 Flufenoxuron 101463-69-8 DTXSID1041978 ER Pathway Model, Agonist Model Score 0 Unitless FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=C(F)C=C(OC2=C(Cl)C=C(C=C2)C(F)(F)F)C=C1 Flufenoxuron 101463-69-8|Flufenoxuron|1-[4-(2-Chloro-a,a,a-trifluoro-p-tolyloxy)-2-fluorophenyl]-3-(2,6-difluorobenzoyl)urea|Benzamide, N-[[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2- fluorophenyl]amino]carbonyl]-2,6-difluoro-|Benzamide, N- [[[4- [2- chloro- 4- (trifluoromethyl) phenoxy] - 2- fluorophenyl] amino] carbonyl] - 2, 6- difluoro-|Cascade|Cascade (pesticide)|ELINCS No.: 417-680-3|N-((4-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide|N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2- fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide|N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide|UNII-OD068OSS0N|WL 115110 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041978
ERPathway2016 ERPathway2016_624 Flufenoxuron 101463-69-8 DTXSID1041978 ER Pathway Model, Antagonist Model Score 0 Unitless FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=C(F)C=C(OC2=C(Cl)C=C(C=C2)C(F)(F)F)C=C1 Flufenoxuron 101463-69-8|Flufenoxuron|1-[4-(2-Chloro-a,a,a-trifluoro-p-tolyloxy)-2-fluorophenyl]-3-(2,6-difluorobenzoyl)urea|Benzamide, N-[[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2- fluorophenyl]amino]carbonyl]-2,6-difluoro-|Benzamide, N- [[[4- [2- chloro- 4- (trifluoromethyl) phenoxy] - 2- fluorophenyl] amino] carbonyl] - 2, 6- difluoro-|Cascade|Cascade (pesticide)|ELINCS No.: 417-680-3|N-((4-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide|N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2- fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide|N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide|UNII-OD068OSS0N|WL 115110 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041978
ERPathway2016 ERPathway2016_624 Flufenoxuron 101463-69-8 DTXSID1041978 ER Pathway Model, Agonist Call Inactive Unitless FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=C(F)C=C(OC2=C(Cl)C=C(C=C2)C(F)(F)F)C=C1 Flufenoxuron 101463-69-8|Flufenoxuron|1-[4-(2-Chloro-a,a,a-trifluoro-p-tolyloxy)-2-fluorophenyl]-3-(2,6-difluorobenzoyl)urea|Benzamide, N-[[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2- fluorophenyl]amino]carbonyl]-2,6-difluoro-|Benzamide, N- [[[4- [2- chloro- 4- (trifluoromethyl) phenoxy] - 2- fluorophenyl] amino] carbonyl] - 2, 6- difluoro-|Cascade|Cascade (pesticide)|ELINCS No.: 417-680-3|N-((4-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide|N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2- fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide|N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide|UNII-OD068OSS0N|WL 115110 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041978
ERPathway2016 ERPathway2016_624 Flufenoxuron 101463-69-8 DTXSID1041978 ER Pathway Model, Antagonist Call Inactive Unitless FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=C(F)C=C(OC2=C(Cl)C=C(C=C2)C(F)(F)F)C=C1 Flufenoxuron 101463-69-8|Flufenoxuron|1-[4-(2-Chloro-a,a,a-trifluoro-p-tolyloxy)-2-fluorophenyl]-3-(2,6-difluorobenzoyl)urea|Benzamide, N-[[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2- fluorophenyl]amino]carbonyl]-2,6-difluoro-|Benzamide, N- [[[4- [2- chloro- 4- (trifluoromethyl) phenoxy] - 2- fluorophenyl] amino] carbonyl] - 2, 6- difluoro-|Cascade|Cascade (pesticide)|ELINCS No.: 417-680-3|N-((4-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide|N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2- fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide|N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide|UNII-OD068OSS0N|WL 115110 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041978
ARPathway2016 ARPathway2016_958 Flufenpyr-ethyl 188489-07-8 DTXSID3034618 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)COC1=CC(N2N=CC(=C(C)C2=O)C(F)(F)F)=C(F)C=C1Cl Flufenpyr-ethyl 188489-07-8|Flufenpyr-ethyl|Acetic acid, [2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]-, ethyl ester|Acetic acid, 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]-, ethyl ester|ethyl 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]acetate|ethyl 2-chloro-5-[1,6-dihydro-5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-4-fluorophenoxyacetate|S-3153|V-3153 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034618
ARPathway2016 ARPathway2016_958 Flufenpyr-ethyl 188489-07-8 DTXSID3034618 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)COC1=CC(N2N=CC(=C(C)C2=O)C(F)(F)F)=C(F)C=C1Cl Flufenpyr-ethyl 188489-07-8|Flufenpyr-ethyl|Acetic acid, [2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]-, ethyl ester|Acetic acid, 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]-, ethyl ester|ethyl 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]acetate|ethyl 2-chloro-5-[1,6-dihydro-5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-4-fluorophenoxyacetate|S-3153|V-3153 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034618
ARPathway2016 ARPathway2016_958 Flufenpyr-ethyl 188489-07-8 DTXSID3034618 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)COC1=CC(N2N=CC(=C(C)C2=O)C(F)(F)F)=C(F)C=C1Cl Flufenpyr-ethyl 188489-07-8|Flufenpyr-ethyl|Acetic acid, [2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]-, ethyl ester|Acetic acid, 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]-, ethyl ester|ethyl 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]acetate|ethyl 2-chloro-5-[1,6-dihydro-5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-4-fluorophenoxyacetate|S-3153|V-3153 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034618
ARPathway2016 ARPathway2016_958 Flufenpyr-ethyl 188489-07-8 DTXSID3034618 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)COC1=CC(N2N=CC(=C(C)C2=O)C(F)(F)F)=C(F)C=C1Cl Flufenpyr-ethyl 188489-07-8|Flufenpyr-ethyl|Acetic acid, [2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]-, ethyl ester|Acetic acid, 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]-, ethyl ester|ethyl 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]acetate|ethyl 2-chloro-5-[1,6-dihydro-5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-4-fluorophenoxyacetate|S-3153|V-3153 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034618
ERPathway2016 ERPathway2016_1357 Flufenpyr-ethyl 188489-07-8 DTXSID3034618 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)COC1=CC(N2N=CC(=C(C)C2=O)C(F)(F)F)=C(F)C=C1Cl Flufenpyr-ethyl 188489-07-8|Flufenpyr-ethyl|Acetic acid, [2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]-, ethyl ester|Acetic acid, 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]-, ethyl ester|ethyl 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]acetate|ethyl 2-chloro-5-[1,6-dihydro-5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-4-fluorophenoxyacetate|S-3153|V-3153 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034618
ERPathway2016 ERPathway2016_1357 Flufenpyr-ethyl 188489-07-8 DTXSID3034618 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)COC1=CC(N2N=CC(=C(C)C2=O)C(F)(F)F)=C(F)C=C1Cl Flufenpyr-ethyl 188489-07-8|Flufenpyr-ethyl|Acetic acid, [2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]-, ethyl ester|Acetic acid, 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]-, ethyl ester|ethyl 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]acetate|ethyl 2-chloro-5-[1,6-dihydro-5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-4-fluorophenoxyacetate|S-3153|V-3153 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034618
ERPathway2016 ERPathway2016_1357 Flufenpyr-ethyl 188489-07-8 DTXSID3034618 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)COC1=CC(N2N=CC(=C(C)C2=O)C(F)(F)F)=C(F)C=C1Cl Flufenpyr-ethyl 188489-07-8|Flufenpyr-ethyl|Acetic acid, [2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]-, ethyl ester|Acetic acid, 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]-, ethyl ester|ethyl 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]acetate|ethyl 2-chloro-5-[1,6-dihydro-5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-4-fluorophenoxyacetate|S-3153|V-3153 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034618
ERPathway2016 ERPathway2016_1357 Flufenpyr-ethyl 188489-07-8 DTXSID3034618 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)COC1=CC(N2N=CC(=C(C)C2=O)C(F)(F)F)=C(F)C=C1Cl Flufenpyr-ethyl 188489-07-8|Flufenpyr-ethyl|Acetic acid, [2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]-, ethyl ester|Acetic acid, 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]-, ethyl ester|ethyl 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]acetate|ethyl 2-chloro-5-[1,6-dihydro-5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-4-fluorophenoxyacetate|S-3153|V-3153 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034618
ARPathway2016 ARPathway2016_1423 Flumetralin 62924-70-3 DTXSID7032553 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless CCN(CC1=C(Cl)C=CC=C1F)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Flumetralin 62924-70-3|Flumetralin|2-Chloro-N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-ethyl-6-fluorobenzenemethanamine|Benzenemethanamine, 2-chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethyl-6-fluoro-|BRN 2956801|CGA 41065|CGA41065|EPA Pesticide Chemical Code 123001|Flumetraline|N-(2-Chloro-6-fluorobenzyl)-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-chloro-6-fluorobenzyl)-4-trifluoromethyl-2,6-dinitroaniline|Premier|Prime +|UNII-FF3TSN8UV2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032553
ARPathway2016 ARPathway2016_1423 Flumetralin 62924-70-3 DTXSID7032553 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CCN(CC1=C(Cl)C=CC=C1F)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Flumetralin 62924-70-3|Flumetralin|2-Chloro-N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-ethyl-6-fluorobenzenemethanamine|Benzenemethanamine, 2-chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethyl-6-fluoro-|BRN 2956801|CGA 41065|CGA41065|EPA Pesticide Chemical Code 123001|Flumetraline|N-(2-Chloro-6-fluorobenzyl)-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-chloro-6-fluorobenzyl)-4-trifluoromethyl-2,6-dinitroaniline|Premier|Prime +|UNII-FF3TSN8UV2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032553
ARPathway2016 ARPathway2016_1423 Flumetralin 62924-70-3 DTXSID7032553 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Call Inactive Unitless CCN(CC1=C(Cl)C=CC=C1F)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Flumetralin 62924-70-3|Flumetralin|2-Chloro-N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-ethyl-6-fluorobenzenemethanamine|Benzenemethanamine, 2-chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethyl-6-fluoro-|BRN 2956801|CGA 41065|CGA41065|EPA Pesticide Chemical Code 123001|Flumetraline|N-(2-Chloro-6-fluorobenzyl)-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-chloro-6-fluorobenzyl)-4-trifluoromethyl-2,6-dinitroaniline|Premier|Prime +|UNII-FF3TSN8UV2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032553
ARPathway2016 ARPathway2016_1423 Flumetralin 62924-70-3 DTXSID7032553 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CCN(CC1=C(Cl)C=CC=C1F)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Flumetralin 62924-70-3|Flumetralin|2-Chloro-N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-ethyl-6-fluorobenzenemethanamine|Benzenemethanamine, 2-chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethyl-6-fluoro-|BRN 2956801|CGA 41065|CGA41065|EPA Pesticide Chemical Code 123001|Flumetraline|N-(2-Chloro-6-fluorobenzyl)-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-chloro-6-fluorobenzyl)-4-trifluoromethyl-2,6-dinitroaniline|Premier|Prime +|UNII-FF3TSN8UV2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032553
ERPathway2016 ERPathway2016_196 Flumetralin 62924-70-3 DTXSID7032553 Agonist ER Pathway Model, Antagonist AC50 5.4363043500404 uM CCN(CC1=C(Cl)C=CC=C1F)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Flumetralin 62924-70-3|Flumetralin|2-Chloro-N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-ethyl-6-fluorobenzenemethanamine|Benzenemethanamine, 2-chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethyl-6-fluoro-|BRN 2956801|CGA 41065|CGA41065|EPA Pesticide Chemical Code 123001|Flumetraline|N-(2-Chloro-6-fluorobenzyl)-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-chloro-6-fluorobenzyl)-4-trifluoromethyl-2,6-dinitroaniline|Premier|Prime +|UNII-FF3TSN8UV2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032553
ERPathway2016 ERPathway2016_196 Flumetralin 62924-70-3 DTXSID7032553 Agonist ER Pathway Model, Antagonist ACC 3.65271189121932 uM CCN(CC1=C(Cl)C=CC=C1F)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Flumetralin 62924-70-3|Flumetralin|2-Chloro-N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-ethyl-6-fluorobenzenemethanamine|Benzenemethanamine, 2-chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethyl-6-fluoro-|BRN 2956801|CGA 41065|CGA41065|EPA Pesticide Chemical Code 123001|Flumetraline|N-(2-Chloro-6-fluorobenzyl)-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-chloro-6-fluorobenzyl)-4-trifluoromethyl-2,6-dinitroaniline|Premier|Prime +|UNII-FF3TSN8UV2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032553
ERPathway2016 ERPathway2016_196 Flumetralin 62924-70-3 DTXSID7032553 Agonist ER Pathway Model, Agonist Model Score 0.224 Unitless CCN(CC1=C(Cl)C=CC=C1F)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Flumetralin 62924-70-3|Flumetralin|2-Chloro-N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-ethyl-6-fluorobenzenemethanamine|Benzenemethanamine, 2-chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethyl-6-fluoro-|BRN 2956801|CGA 41065|CGA41065|EPA Pesticide Chemical Code 123001|Flumetraline|N-(2-Chloro-6-fluorobenzyl)-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-chloro-6-fluorobenzyl)-4-trifluoromethyl-2,6-dinitroaniline|Premier|Prime +|UNII-FF3TSN8UV2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032553
ERPathway2016 ERPathway2016_196 Flumetralin 62924-70-3 DTXSID7032553 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCN(CC1=C(Cl)C=CC=C1F)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Flumetralin 62924-70-3|Flumetralin|2-Chloro-N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-ethyl-6-fluorobenzenemethanamine|Benzenemethanamine, 2-chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethyl-6-fluoro-|BRN 2956801|CGA 41065|CGA41065|EPA Pesticide Chemical Code 123001|Flumetraline|N-(2-Chloro-6-fluorobenzyl)-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-chloro-6-fluorobenzyl)-4-trifluoromethyl-2,6-dinitroaniline|Premier|Prime +|UNII-FF3TSN8UV2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032553
ERPathway2016 ERPathway2016_196 Flumetralin 62924-70-3 DTXSID7032553 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCN(CC1=C(Cl)C=CC=C1F)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Flumetralin 62924-70-3|Flumetralin|2-Chloro-N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-ethyl-6-fluorobenzenemethanamine|Benzenemethanamine, 2-chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethyl-6-fluoro-|BRN 2956801|CGA 41065|CGA41065|EPA Pesticide Chemical Code 123001|Flumetraline|N-(2-Chloro-6-fluorobenzyl)-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-chloro-6-fluorobenzyl)-4-trifluoromethyl-2,6-dinitroaniline|Premier|Prime +|UNII-FF3TSN8UV2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032553
ERPathway2016 ERPathway2016_196 Flumetralin 62924-70-3 DTXSID7032553 Agonist ER Pathway Model, Antagonist Call Active Unitless CCN(CC1=C(Cl)C=CC=C1F)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Flumetralin 62924-70-3|Flumetralin|2-Chloro-N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-ethyl-6-fluorobenzenemethanamine|Benzenemethanamine, 2-chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethyl-6-fluoro-|BRN 2956801|CGA 41065|CGA41065|EPA Pesticide Chemical Code 123001|Flumetraline|N-(2-Chloro-6-fluorobenzyl)-N-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine|N-Ethyl-N-(2-chloro-6-fluorobenzyl)-4-trifluoromethyl-2,6-dinitroaniline|Premier|Prime +|UNII-FF3TSN8UV2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032553
ARPathway2016 ARPathway2016_1810 Flumetsulam 98967-40-9 DTXSID4032615 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=NC2=NC(=NN2C=C1)S(=O)(=O)NC1=C(F)C=CC=C1F Flumetsulam 98967-40-9|Flumetsulam|Broadstrike|DE-498|EPA Pesticide Chemical Code 129016|N-(2,6-Difluorophenyl)-5-methyl-(1,2,4)triazolo(1,5-a)pyrimidine-2-sulfonamide|UNII-X89F0S6LW8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032615
ARPathway2016 ARPathway2016_1810 Flumetsulam 98967-40-9 DTXSID4032615 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=NC2=NC(=NN2C=C1)S(=O)(=O)NC1=C(F)C=CC=C1F Flumetsulam 98967-40-9|Flumetsulam|Broadstrike|DE-498|EPA Pesticide Chemical Code 129016|N-(2,6-Difluorophenyl)-5-methyl-(1,2,4)triazolo(1,5-a)pyrimidine-2-sulfonamide|UNII-X89F0S6LW8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032615
ARPathway2016 ARPathway2016_1810 Flumetsulam 98967-40-9 DTXSID4032615 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=NC2=NC(=NN2C=C1)S(=O)(=O)NC1=C(F)C=CC=C1F Flumetsulam 98967-40-9|Flumetsulam|Broadstrike|DE-498|EPA Pesticide Chemical Code 129016|N-(2,6-Difluorophenyl)-5-methyl-(1,2,4)triazolo(1,5-a)pyrimidine-2-sulfonamide|UNII-X89F0S6LW8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032615
ARPathway2016 ARPathway2016_1810 Flumetsulam 98967-40-9 DTXSID4032615 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=NC2=NC(=NN2C=C1)S(=O)(=O)NC1=C(F)C=CC=C1F Flumetsulam 98967-40-9|Flumetsulam|Broadstrike|DE-498|EPA Pesticide Chemical Code 129016|N-(2,6-Difluorophenyl)-5-methyl-(1,2,4)triazolo(1,5-a)pyrimidine-2-sulfonamide|UNII-X89F0S6LW8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032615
ERPathway2016 ERPathway2016_720 Flumetsulam 98967-40-9 DTXSID4032615 A3 ER Pathway Model, Agonist Model Score 0 Unitless CC1=NC2=NC(=NN2C=C1)S(=O)(=O)NC1=C(F)C=CC=C1F Flumetsulam 98967-40-9|Flumetsulam|Broadstrike|DE-498|EPA Pesticide Chemical Code 129016|N-(2,6-Difluorophenyl)-5-methyl-(1,2,4)triazolo(1,5-a)pyrimidine-2-sulfonamide|UNII-X89F0S6LW8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032615
ERPathway2016 ERPathway2016_720 Flumetsulam 98967-40-9 DTXSID4032615 A3 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=NC2=NC(=NN2C=C1)S(=O)(=O)NC1=C(F)C=CC=C1F Flumetsulam 98967-40-9|Flumetsulam|Broadstrike|DE-498|EPA Pesticide Chemical Code 129016|N-(2,6-Difluorophenyl)-5-methyl-(1,2,4)triazolo(1,5-a)pyrimidine-2-sulfonamide|UNII-X89F0S6LW8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032615
ERPathway2016 ERPathway2016_720 Flumetsulam 98967-40-9 DTXSID4032615 A3 ER Pathway Model, Agonist Call Inactive Unitless CC1=NC2=NC(=NN2C=C1)S(=O)(=O)NC1=C(F)C=CC=C1F Flumetsulam 98967-40-9|Flumetsulam|Broadstrike|DE-498|EPA Pesticide Chemical Code 129016|N-(2,6-Difluorophenyl)-5-methyl-(1,2,4)triazolo(1,5-a)pyrimidine-2-sulfonamide|UNII-X89F0S6LW8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032615
ERPathway2016 ERPathway2016_720 Flumetsulam 98967-40-9 DTXSID4032615 A3 ER Pathway Model, Antagonist Call Inactive Unitless CC1=NC2=NC(=NN2C=C1)S(=O)(=O)NC1=C(F)C=CC=C1F Flumetsulam 98967-40-9|Flumetsulam|Broadstrike|DE-498|EPA Pesticide Chemical Code 129016|N-(2,6-Difluorophenyl)-5-methyl-(1,2,4)triazolo(1,5-a)pyrimidine-2-sulfonamide|UNII-X89F0S6LW8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032615
ARPathway2016 ARPathway2016_1663 Flumiclorac-pentyl 87546-18-7 DTXSID2032554 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCOC(=O)COC1=C(Cl)C=C(F)C(=C1)N1C(=O)C2=C(CCCC2)C1=O Flumiclorac-pentyl 87546-18-7|Flumiclorac-pentyl|2-[2-Chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]acetic acid|Acetic acid, [2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester|Acetic acid, 2-[2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester|Flumiclorac pentyl|Flumiclorac pentyl ester|Pentyl 2-[2-chloro-5-(1,3-dioxo-2,3,4,5,6,7- hexahydro-1H-isoindol-2-yl)-4- fluorophenoxy]acetate|Resource|S-23031|Sumiverde|UNII-67CZ8IH915|V-23031 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032554
ARPathway2016 ARPathway2016_1663 Flumiclorac-pentyl 87546-18-7 DTXSID2032554 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCOC(=O)COC1=C(Cl)C=C(F)C(=C1)N1C(=O)C2=C(CCCC2)C1=O Flumiclorac-pentyl 87546-18-7|Flumiclorac-pentyl|2-[2-Chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]acetic acid|Acetic acid, [2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester|Acetic acid, 2-[2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester|Flumiclorac pentyl|Flumiclorac pentyl ester|Pentyl 2-[2-chloro-5-(1,3-dioxo-2,3,4,5,6,7- hexahydro-1H-isoindol-2-yl)-4- fluorophenoxy]acetate|Resource|S-23031|Sumiverde|UNII-67CZ8IH915|V-23031 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032554
ARPathway2016 ARPathway2016_1663 Flumiclorac-pentyl 87546-18-7 DTXSID2032554 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCOC(=O)COC1=C(Cl)C=C(F)C(=C1)N1C(=O)C2=C(CCCC2)C1=O Flumiclorac-pentyl 87546-18-7|Flumiclorac-pentyl|2-[2-Chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]acetic acid|Acetic acid, [2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester|Acetic acid, 2-[2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester|Flumiclorac pentyl|Flumiclorac pentyl ester|Pentyl 2-[2-chloro-5-(1,3-dioxo-2,3,4,5,6,7- hexahydro-1H-isoindol-2-yl)-4- fluorophenoxy]acetate|Resource|S-23031|Sumiverde|UNII-67CZ8IH915|V-23031 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032554
ARPathway2016 ARPathway2016_1663 Flumiclorac-pentyl 87546-18-7 DTXSID2032554 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCOC(=O)COC1=C(Cl)C=C(F)C(=C1)N1C(=O)C2=C(CCCC2)C1=O Flumiclorac-pentyl 87546-18-7|Flumiclorac-pentyl|2-[2-Chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]acetic acid|Acetic acid, [2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester|Acetic acid, 2-[2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester|Flumiclorac pentyl|Flumiclorac pentyl ester|Pentyl 2-[2-chloro-5-(1,3-dioxo-2,3,4,5,6,7- hexahydro-1H-isoindol-2-yl)-4- fluorophenoxy]acetate|Resource|S-23031|Sumiverde|UNII-67CZ8IH915|V-23031 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032554
ERPathway2016 ERPathway2016_1714 Flumiclorac-pentyl 87546-18-7 DTXSID2032554 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCOC(=O)COC1=C(Cl)C=C(F)C(=C1)N1C(=O)C2=C(CCCC2)C1=O Flumiclorac-pentyl 87546-18-7|Flumiclorac-pentyl|2-[2-Chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]acetic acid|Acetic acid, [2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester|Acetic acid, 2-[2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester|Flumiclorac pentyl|Flumiclorac pentyl ester|Pentyl 2-[2-chloro-5-(1,3-dioxo-2,3,4,5,6,7- hexahydro-1H-isoindol-2-yl)-4- fluorophenoxy]acetate|Resource|S-23031|Sumiverde|UNII-67CZ8IH915|V-23031 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032554
ERPathway2016 ERPathway2016_1714 Flumiclorac-pentyl 87546-18-7 DTXSID2032554 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCOC(=O)COC1=C(Cl)C=C(F)C(=C1)N1C(=O)C2=C(CCCC2)C1=O Flumiclorac-pentyl 87546-18-7|Flumiclorac-pentyl|2-[2-Chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]acetic acid|Acetic acid, [2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester|Acetic acid, 2-[2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester|Flumiclorac pentyl|Flumiclorac pentyl ester|Pentyl 2-[2-chloro-5-(1,3-dioxo-2,3,4,5,6,7- hexahydro-1H-isoindol-2-yl)-4- fluorophenoxy]acetate|Resource|S-23031|Sumiverde|UNII-67CZ8IH915|V-23031 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032554
ERPathway2016 ERPathway2016_1714 Flumiclorac-pentyl 87546-18-7 DTXSID2032554 ER Pathway Model, Agonist Call Inactive Unitless CCCCCOC(=O)COC1=C(Cl)C=C(F)C(=C1)N1C(=O)C2=C(CCCC2)C1=O Flumiclorac-pentyl 87546-18-7|Flumiclorac-pentyl|2-[2-Chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]acetic acid|Acetic acid, [2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester|Acetic acid, 2-[2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester|Flumiclorac pentyl|Flumiclorac pentyl ester|Pentyl 2-[2-chloro-5-(1,3-dioxo-2,3,4,5,6,7- hexahydro-1H-isoindol-2-yl)-4- fluorophenoxy]acetate|Resource|S-23031|Sumiverde|UNII-67CZ8IH915|V-23031 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032554
ERPathway2016 ERPathway2016_1714 Flumiclorac-pentyl 87546-18-7 DTXSID2032554 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCOC(=O)COC1=C(Cl)C=C(F)C(=C1)N1C(=O)C2=C(CCCC2)C1=O Flumiclorac-pentyl 87546-18-7|Flumiclorac-pentyl|2-[2-Chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]acetic acid|Acetic acid, [2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester|Acetic acid, 2-[2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]-, pentyl ester|Flumiclorac pentyl|Flumiclorac pentyl ester|Pentyl 2-[2-chloro-5-(1,3-dioxo-2,3,4,5,6,7- hexahydro-1H-isoindol-2-yl)-4- fluorophenoxy]acetate|Resource|S-23031|Sumiverde|UNII-67CZ8IH915|V-23031 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032554
ARPathway2016 ARPathway2016_437 Flumioxazin 103361-09-7 DTXSID7032555 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless FC1=CC2=C(C=C1N1C(=O)C3=C(CCCC3)C1=O)N(CC#C)C(=O)CO2 Flumioxazin 103361-09-7|Flumioxazin|1H- Isoindole- 1, 3(2H) - dione, 2- [7- fluoro- 3, 4- dihydro- 3- oxo- 4- (2- propyn- 1- yl) - 2H- 1, 4- benzoxazin- 6- yl] - 4, 5, 6, 7- tetrahydro-|2-(7-Fluoro-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione|2-[7-Fluoro-3,4-dihydro-3-oxo-4-(2-propyn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione|2H-1,4-Benzoxazine, 1H-isoindole-1,3(2H)-dione deriv.|7-Fluoro-6-(3,4,5,6-tetrahydrophthalimido)-4-(2-propynyl)-1,4-benzoxazin-3(2H)-one|EINECS Annex I Index 613-166-00-X|S-53482|Sumisoya|UNII-L0PX7OGI22|V-53482|Valor SX|141490-50-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032555
ARPathway2016 ARPathway2016_437 Flumioxazin 103361-09-7 DTXSID7032555 0.0 AR Pathway Model, Agonist Model Score 0 Unitless FC1=CC2=C(C=C1N1C(=O)C3=C(CCCC3)C1=O)N(CC#C)C(=O)CO2 Flumioxazin 103361-09-7|Flumioxazin|1H- Isoindole- 1, 3(2H) - dione, 2- [7- fluoro- 3, 4- dihydro- 3- oxo- 4- (2- propyn- 1- yl) - 2H- 1, 4- benzoxazin- 6- yl] - 4, 5, 6, 7- tetrahydro-|2-(7-Fluoro-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione|2-[7-Fluoro-3,4-dihydro-3-oxo-4-(2-propyn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione|2H-1,4-Benzoxazine, 1H-isoindole-1,3(2H)-dione deriv.|7-Fluoro-6-(3,4,5,6-tetrahydrophthalimido)-4-(2-propynyl)-1,4-benzoxazin-3(2H)-one|EINECS Annex I Index 613-166-00-X|S-53482|Sumisoya|UNII-L0PX7OGI22|V-53482|Valor SX|141490-50-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032555
ARPathway2016 ARPathway2016_437 Flumioxazin 103361-09-7 DTXSID7032555 0.0 AR Pathway Model, Antagonist Call Inactive Unitless FC1=CC2=C(C=C1N1C(=O)C3=C(CCCC3)C1=O)N(CC#C)C(=O)CO2 Flumioxazin 103361-09-7|Flumioxazin|1H- Isoindole- 1, 3(2H) - dione, 2- [7- fluoro- 3, 4- dihydro- 3- oxo- 4- (2- propyn- 1- yl) - 2H- 1, 4- benzoxazin- 6- yl] - 4, 5, 6, 7- tetrahydro-|2-(7-Fluoro-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione|2-[7-Fluoro-3,4-dihydro-3-oxo-4-(2-propyn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione|2H-1,4-Benzoxazine, 1H-isoindole-1,3(2H)-dione deriv.|7-Fluoro-6-(3,4,5,6-tetrahydrophthalimido)-4-(2-propynyl)-1,4-benzoxazin-3(2H)-one|EINECS Annex I Index 613-166-00-X|S-53482|Sumisoya|UNII-L0PX7OGI22|V-53482|Valor SX|141490-50-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032555
ARPathway2016 ARPathway2016_437 Flumioxazin 103361-09-7 DTXSID7032555 0.0 AR Pathway Model, Agonist Call Inactive Unitless FC1=CC2=C(C=C1N1C(=O)C3=C(CCCC3)C1=O)N(CC#C)C(=O)CO2 Flumioxazin 103361-09-7|Flumioxazin|1H- Isoindole- 1, 3(2H) - dione, 2- [7- fluoro- 3, 4- dihydro- 3- oxo- 4- (2- propyn- 1- yl) - 2H- 1, 4- benzoxazin- 6- yl] - 4, 5, 6, 7- tetrahydro-|2-(7-Fluoro-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione|2-[7-Fluoro-3,4-dihydro-3-oxo-4-(2-propyn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione|2H-1,4-Benzoxazine, 1H-isoindole-1,3(2H)-dione deriv.|7-Fluoro-6-(3,4,5,6-tetrahydrophthalimido)-4-(2-propynyl)-1,4-benzoxazin-3(2H)-one|EINECS Annex I Index 613-166-00-X|S-53482|Sumisoya|UNII-L0PX7OGI22|V-53482|Valor SX|141490-50-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032555
ERPathway2016 ERPathway2016_1070 Flumioxazin 103361-09-7 DTXSID7032555 ER Pathway Model, Agonist Model Score 0 Unitless FC1=CC2=C(C=C1N1C(=O)C3=C(CCCC3)C1=O)N(CC#C)C(=O)CO2 Flumioxazin 103361-09-7|Flumioxazin|1H- Isoindole- 1, 3(2H) - dione, 2- [7- fluoro- 3, 4- dihydro- 3- oxo- 4- (2- propyn- 1- yl) - 2H- 1, 4- benzoxazin- 6- yl] - 4, 5, 6, 7- tetrahydro-|2-(7-Fluoro-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione|2-[7-Fluoro-3,4-dihydro-3-oxo-4-(2-propyn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione|2H-1,4-Benzoxazine, 1H-isoindole-1,3(2H)-dione deriv.|7-Fluoro-6-(3,4,5,6-tetrahydrophthalimido)-4-(2-propynyl)-1,4-benzoxazin-3(2H)-one|EINECS Annex I Index 613-166-00-X|S-53482|Sumisoya|UNII-L0PX7OGI22|V-53482|Valor SX|141490-50-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032555
ERPathway2016 ERPathway2016_1070 Flumioxazin 103361-09-7 DTXSID7032555 ER Pathway Model, Antagonist Model Score 0 Unitless FC1=CC2=C(C=C1N1C(=O)C3=C(CCCC3)C1=O)N(CC#C)C(=O)CO2 Flumioxazin 103361-09-7|Flumioxazin|1H- Isoindole- 1, 3(2H) - dione, 2- [7- fluoro- 3, 4- dihydro- 3- oxo- 4- (2- propyn- 1- yl) - 2H- 1, 4- benzoxazin- 6- yl] - 4, 5, 6, 7- tetrahydro-|2-(7-Fluoro-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione|2-[7-Fluoro-3,4-dihydro-3-oxo-4-(2-propyn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione|2H-1,4-Benzoxazine, 1H-isoindole-1,3(2H)-dione deriv.|7-Fluoro-6-(3,4,5,6-tetrahydrophthalimido)-4-(2-propynyl)-1,4-benzoxazin-3(2H)-one|EINECS Annex I Index 613-166-00-X|S-53482|Sumisoya|UNII-L0PX7OGI22|V-53482|Valor SX|141490-50-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032555
ERPathway2016 ERPathway2016_1070 Flumioxazin 103361-09-7 DTXSID7032555 ER Pathway Model, Agonist Call Inactive Unitless FC1=CC2=C(C=C1N1C(=O)C3=C(CCCC3)C1=O)N(CC#C)C(=O)CO2 Flumioxazin 103361-09-7|Flumioxazin|1H- Isoindole- 1, 3(2H) - dione, 2- [7- fluoro- 3, 4- dihydro- 3- oxo- 4- (2- propyn- 1- yl) - 2H- 1, 4- benzoxazin- 6- yl] - 4, 5, 6, 7- tetrahydro-|2-(7-Fluoro-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione|2-[7-Fluoro-3,4-dihydro-3-oxo-4-(2-propyn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione|2H-1,4-Benzoxazine, 1H-isoindole-1,3(2H)-dione deriv.|7-Fluoro-6-(3,4,5,6-tetrahydrophthalimido)-4-(2-propynyl)-1,4-benzoxazin-3(2H)-one|EINECS Annex I Index 613-166-00-X|S-53482|Sumisoya|UNII-L0PX7OGI22|V-53482|Valor SX|141490-50-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032555
ERPathway2016 ERPathway2016_1070 Flumioxazin 103361-09-7 DTXSID7032555 ER Pathway Model, Antagonist Call Inactive Unitless FC1=CC2=C(C=C1N1C(=O)C3=C(CCCC3)C1=O)N(CC#C)C(=O)CO2 Flumioxazin 103361-09-7|Flumioxazin|1H- Isoindole- 1, 3(2H) - dione, 2- [7- fluoro- 3, 4- dihydro- 3- oxo- 4- (2- propyn- 1- yl) - 2H- 1, 4- benzoxazin- 6- yl] - 4, 5, 6, 7- tetrahydro-|2-(7-Fluoro-3-oxo-4-(prop-2-ynyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione|2-[7-Fluoro-3,4-dihydro-3-oxo-4-(2-propyn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione|2H-1,4-Benzoxazine, 1H-isoindole-1,3(2H)-dione deriv.|7-Fluoro-6-(3,4,5,6-tetrahydrophthalimido)-4-(2-propynyl)-1,4-benzoxazin-3(2H)-one|EINECS Annex I Index 613-166-00-X|S-53482|Sumisoya|UNII-L0PX7OGI22|V-53482|Valor SX|141490-50-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032555
ARPathway2016 ARPathway2016_1000 Fluometuron 2164-17-2 DTXSID8020628 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F Fluometuron 2164-17-2|Fluometuron|1,1-Dimethyl-3-(3-trifluoromethylphenyl)urea|1,1-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea|1,1-Dimethyl-3-(a,a,a-trifluoro-m-tolyl)urea|3-(3-Trifluoromethylphenyl)-1,1-dimethylurea|3-(5-Trifluormethylphenyl)-1,1-dimethylharnstoff|3-(m-Trifluoromethylphenyl)-1,1-dimethylurea|BRN 2217354|Caswell No. 460A|Cotoran|Cotoran 85DF|Cotoran multi 50WP|Cottonex|EC No.: 218-500-4|EINECS 218-500-4|EPA Pesticide Chemical Code 035503|Fluomethuron|Fluometuron [urea,N,N-Dimethyl-N'-[3-(trifluoromethyl)phenyl]-]|Herbicide C-2059|Higalcoton|N-(3-Trifluoromethylphenyl)-1,1-dimethylurea|N-(3-Trifluoromethylphenyl)-N'-N'-dimethylurea|N-(3-Trifluoromethylphenyl)-N',N'-dimethylurea|N-(m-Trifluoromethylphenyl)-N',N'-dimethylurea|N-(meta-Trifluoromethylphenyl)-N,N'-dimethylurea|N,N-Dimethyl-N'-(3-(trifluoromethyl)phenyl)urea|N,N-Dimethyl-N'-[3-(trifluoromethyl)phenyl]urea|NCI-C08695|Pakhtaran|UNII-296378G1S8|Urea, 1,1-dimethyl-3-(a,a,a-trifluoro-m-tolyl)-|Urea, N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020628 https://doi.org/10.22427/NTP-DATA-DTXSID8020628
ARPathway2016 ARPathway2016_1000 Fluometuron 2164-17-2 DTXSID8020628 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F Fluometuron 2164-17-2|Fluometuron|1,1-Dimethyl-3-(3-trifluoromethylphenyl)urea|1,1-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea|1,1-Dimethyl-3-(a,a,a-trifluoro-m-tolyl)urea|3-(3-Trifluoromethylphenyl)-1,1-dimethylurea|3-(5-Trifluormethylphenyl)-1,1-dimethylharnstoff|3-(m-Trifluoromethylphenyl)-1,1-dimethylurea|BRN 2217354|Caswell No. 460A|Cotoran|Cotoran 85DF|Cotoran multi 50WP|Cottonex|EC No.: 218-500-4|EINECS 218-500-4|EPA Pesticide Chemical Code 035503|Fluomethuron|Fluometuron [urea,N,N-Dimethyl-N'-[3-(trifluoromethyl)phenyl]-]|Herbicide C-2059|Higalcoton|N-(3-Trifluoromethylphenyl)-1,1-dimethylurea|N-(3-Trifluoromethylphenyl)-N'-N'-dimethylurea|N-(3-Trifluoromethylphenyl)-N',N'-dimethylurea|N-(m-Trifluoromethylphenyl)-N',N'-dimethylurea|N-(meta-Trifluoromethylphenyl)-N,N'-dimethylurea|N,N-Dimethyl-N'-(3-(trifluoromethyl)phenyl)urea|N,N-Dimethyl-N'-[3-(trifluoromethyl)phenyl]urea|NCI-C08695|Pakhtaran|UNII-296378G1S8|Urea, 1,1-dimethyl-3-(a,a,a-trifluoro-m-tolyl)-|Urea, N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020628 https://doi.org/10.22427/NTP-DATA-DTXSID8020628
ARPathway2016 ARPathway2016_1000 Fluometuron 2164-17-2 DTXSID8020628 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F Fluometuron 2164-17-2|Fluometuron|1,1-Dimethyl-3-(3-trifluoromethylphenyl)urea|1,1-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea|1,1-Dimethyl-3-(a,a,a-trifluoro-m-tolyl)urea|3-(3-Trifluoromethylphenyl)-1,1-dimethylurea|3-(5-Trifluormethylphenyl)-1,1-dimethylharnstoff|3-(m-Trifluoromethylphenyl)-1,1-dimethylurea|BRN 2217354|Caswell No. 460A|Cotoran|Cotoran 85DF|Cotoran multi 50WP|Cottonex|EC No.: 218-500-4|EINECS 218-500-4|EPA Pesticide Chemical Code 035503|Fluomethuron|Fluometuron [urea,N,N-Dimethyl-N'-[3-(trifluoromethyl)phenyl]-]|Herbicide C-2059|Higalcoton|N-(3-Trifluoromethylphenyl)-1,1-dimethylurea|N-(3-Trifluoromethylphenyl)-N'-N'-dimethylurea|N-(3-Trifluoromethylphenyl)-N',N'-dimethylurea|N-(m-Trifluoromethylphenyl)-N',N'-dimethylurea|N-(meta-Trifluoromethylphenyl)-N,N'-dimethylurea|N,N-Dimethyl-N'-(3-(trifluoromethyl)phenyl)urea|N,N-Dimethyl-N'-[3-(trifluoromethyl)phenyl]urea|NCI-C08695|Pakhtaran|UNII-296378G1S8|Urea, 1,1-dimethyl-3-(a,a,a-trifluoro-m-tolyl)-|Urea, N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020628 https://doi.org/10.22427/NTP-DATA-DTXSID8020628
ARPathway2016 ARPathway2016_1000 Fluometuron 2164-17-2 DTXSID8020628 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F Fluometuron 2164-17-2|Fluometuron|1,1-Dimethyl-3-(3-trifluoromethylphenyl)urea|1,1-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea|1,1-Dimethyl-3-(a,a,a-trifluoro-m-tolyl)urea|3-(3-Trifluoromethylphenyl)-1,1-dimethylurea|3-(5-Trifluormethylphenyl)-1,1-dimethylharnstoff|3-(m-Trifluoromethylphenyl)-1,1-dimethylurea|BRN 2217354|Caswell No. 460A|Cotoran|Cotoran 85DF|Cotoran multi 50WP|Cottonex|EC No.: 218-500-4|EINECS 218-500-4|EPA Pesticide Chemical Code 035503|Fluomethuron|Fluometuron [urea,N,N-Dimethyl-N'-[3-(trifluoromethyl)phenyl]-]|Herbicide C-2059|Higalcoton|N-(3-Trifluoromethylphenyl)-1,1-dimethylurea|N-(3-Trifluoromethylphenyl)-N'-N'-dimethylurea|N-(3-Trifluoromethylphenyl)-N',N'-dimethylurea|N-(m-Trifluoromethylphenyl)-N',N'-dimethylurea|N-(meta-Trifluoromethylphenyl)-N,N'-dimethylurea|N,N-Dimethyl-N'-(3-(trifluoromethyl)phenyl)urea|N,N-Dimethyl-N'-[3-(trifluoromethyl)phenyl]urea|NCI-C08695|Pakhtaran|UNII-296378G1S8|Urea, 1,1-dimethyl-3-(a,a,a-trifluoro-m-tolyl)-|Urea, N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020628 https://doi.org/10.22427/NTP-DATA-DTXSID8020628
ERPathway2016 ERPathway2016_1379 Fluometuron 2164-17-2 DTXSID8020628 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F Fluometuron 2164-17-2|Fluometuron|1,1-Dimethyl-3-(3-trifluoromethylphenyl)urea|1,1-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea|1,1-Dimethyl-3-(a,a,a-trifluoro-m-tolyl)urea|3-(3-Trifluoromethylphenyl)-1,1-dimethylurea|3-(5-Trifluormethylphenyl)-1,1-dimethylharnstoff|3-(m-Trifluoromethylphenyl)-1,1-dimethylurea|BRN 2217354|Caswell No. 460A|Cotoran|Cotoran 85DF|Cotoran multi 50WP|Cottonex|EC No.: 218-500-4|EINECS 218-500-4|EPA Pesticide Chemical Code 035503|Fluomethuron|Fluometuron [urea,N,N-Dimethyl-N'-[3-(trifluoromethyl)phenyl]-]|Herbicide C-2059|Higalcoton|N-(3-Trifluoromethylphenyl)-1,1-dimethylurea|N-(3-Trifluoromethylphenyl)-N'-N'-dimethylurea|N-(3-Trifluoromethylphenyl)-N',N'-dimethylurea|N-(m-Trifluoromethylphenyl)-N',N'-dimethylurea|N-(meta-Trifluoromethylphenyl)-N,N'-dimethylurea|N,N-Dimethyl-N'-(3-(trifluoromethyl)phenyl)urea|N,N-Dimethyl-N'-[3-(trifluoromethyl)phenyl]urea|NCI-C08695|Pakhtaran|UNII-296378G1S8|Urea, 1,1-dimethyl-3-(a,a,a-trifluoro-m-tolyl)-|Urea, N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020628 https://doi.org/10.22427/NTP-DATA-DTXSID8020628
ERPathway2016 ERPathway2016_1379 Fluometuron 2164-17-2 DTXSID8020628 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F Fluometuron 2164-17-2|Fluometuron|1,1-Dimethyl-3-(3-trifluoromethylphenyl)urea|1,1-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea|1,1-Dimethyl-3-(a,a,a-trifluoro-m-tolyl)urea|3-(3-Trifluoromethylphenyl)-1,1-dimethylurea|3-(5-Trifluormethylphenyl)-1,1-dimethylharnstoff|3-(m-Trifluoromethylphenyl)-1,1-dimethylurea|BRN 2217354|Caswell No. 460A|Cotoran|Cotoran 85DF|Cotoran multi 50WP|Cottonex|EC No.: 218-500-4|EINECS 218-500-4|EPA Pesticide Chemical Code 035503|Fluomethuron|Fluometuron [urea,N,N-Dimethyl-N'-[3-(trifluoromethyl)phenyl]-]|Herbicide C-2059|Higalcoton|N-(3-Trifluoromethylphenyl)-1,1-dimethylurea|N-(3-Trifluoromethylphenyl)-N'-N'-dimethylurea|N-(3-Trifluoromethylphenyl)-N',N'-dimethylurea|N-(m-Trifluoromethylphenyl)-N',N'-dimethylurea|N-(meta-Trifluoromethylphenyl)-N,N'-dimethylurea|N,N-Dimethyl-N'-(3-(trifluoromethyl)phenyl)urea|N,N-Dimethyl-N'-[3-(trifluoromethyl)phenyl]urea|NCI-C08695|Pakhtaran|UNII-296378G1S8|Urea, 1,1-dimethyl-3-(a,a,a-trifluoro-m-tolyl)-|Urea, N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020628 https://doi.org/10.22427/NTP-DATA-DTXSID8020628
ERPathway2016 ERPathway2016_1379 Fluometuron 2164-17-2 DTXSID8020628 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F Fluometuron 2164-17-2|Fluometuron|1,1-Dimethyl-3-(3-trifluoromethylphenyl)urea|1,1-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea|1,1-Dimethyl-3-(a,a,a-trifluoro-m-tolyl)urea|3-(3-Trifluoromethylphenyl)-1,1-dimethylurea|3-(5-Trifluormethylphenyl)-1,1-dimethylharnstoff|3-(m-Trifluoromethylphenyl)-1,1-dimethylurea|BRN 2217354|Caswell No. 460A|Cotoran|Cotoran 85DF|Cotoran multi 50WP|Cottonex|EC No.: 218-500-4|EINECS 218-500-4|EPA Pesticide Chemical Code 035503|Fluomethuron|Fluometuron [urea,N,N-Dimethyl-N'-[3-(trifluoromethyl)phenyl]-]|Herbicide C-2059|Higalcoton|N-(3-Trifluoromethylphenyl)-1,1-dimethylurea|N-(3-Trifluoromethylphenyl)-N'-N'-dimethylurea|N-(3-Trifluoromethylphenyl)-N',N'-dimethylurea|N-(m-Trifluoromethylphenyl)-N',N'-dimethylurea|N-(meta-Trifluoromethylphenyl)-N,N'-dimethylurea|N,N-Dimethyl-N'-(3-(trifluoromethyl)phenyl)urea|N,N-Dimethyl-N'-[3-(trifluoromethyl)phenyl]urea|NCI-C08695|Pakhtaran|UNII-296378G1S8|Urea, 1,1-dimethyl-3-(a,a,a-trifluoro-m-tolyl)-|Urea, N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020628 https://doi.org/10.22427/NTP-DATA-DTXSID8020628
ERPathway2016 ERPathway2016_1379 Fluometuron 2164-17-2 DTXSID8020628 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F Fluometuron 2164-17-2|Fluometuron|1,1-Dimethyl-3-(3-trifluoromethylphenyl)urea|1,1-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea|1,1-Dimethyl-3-(a,a,a-trifluoro-m-tolyl)urea|3-(3-Trifluoromethylphenyl)-1,1-dimethylurea|3-(5-Trifluormethylphenyl)-1,1-dimethylharnstoff|3-(m-Trifluoromethylphenyl)-1,1-dimethylurea|BRN 2217354|Caswell No. 460A|Cotoran|Cotoran 85DF|Cotoran multi 50WP|Cottonex|EC No.: 218-500-4|EINECS 218-500-4|EPA Pesticide Chemical Code 035503|Fluomethuron|Fluometuron [urea,N,N-Dimethyl-N'-[3-(trifluoromethyl)phenyl]-]|Herbicide C-2059|Higalcoton|N-(3-Trifluoromethylphenyl)-1,1-dimethylurea|N-(3-Trifluoromethylphenyl)-N'-N'-dimethylurea|N-(3-Trifluoromethylphenyl)-N',N'-dimethylurea|N-(m-Trifluoromethylphenyl)-N',N'-dimethylurea|N-(meta-Trifluoromethylphenyl)-N,N'-dimethylurea|N,N-Dimethyl-N'-(3-(trifluoromethyl)phenyl)urea|N,N-Dimethyl-N'-[3-(trifluoromethyl)phenyl]urea|NCI-C08695|Pakhtaran|UNII-296378G1S8|Urea, 1,1-dimethyl-3-(a,a,a-trifluoro-m-tolyl)-|Urea, N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020628 https://doi.org/10.22427/NTP-DATA-DTXSID8020628
ARPathway2016 ARPathway2016_109 Fluoranthene 206-44-0 DTXSID3024104 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 27.88492744 uM C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1 Fluoranthene 206-44-0|Fluoranthene|1,2-(1,8-Naphthalenediyl)benzene|1,2-(1,8-Naphthylene)benzene|1,2-Benzacenaphthene|Benzene, 1,2-(1,8-naphthalenediyl)-|Benzene, 1,2-(1,8-naphthylene)-|Benzo(jk)fluorene|Benzo[jk]fluorene|ClusterCarbon|EINECS 205-912-4|fluoranteno|Fluoranthen|Idryl|NSC 6803|RCRA waste number U120|UNII-360UOL779Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024104
ARPathway2016 ARPathway2016_109 Fluoranthene 206-44-0 DTXSID3024104 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 22.89132132 uM C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1 Fluoranthene 206-44-0|Fluoranthene|1,2-(1,8-Naphthalenediyl)benzene|1,2-(1,8-Naphthylene)benzene|1,2-Benzacenaphthene|Benzene, 1,2-(1,8-naphthalenediyl)-|Benzene, 1,2-(1,8-naphthylene)-|Benzo(jk)fluorene|Benzo[jk]fluorene|ClusterCarbon|EINECS 205-912-4|fluoranteno|Fluoranthen|Idryl|NSC 6803|RCRA waste number U120|UNII-360UOL779Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024104
ARPathway2016 ARPathway2016_109 Fluoranthene 206-44-0 DTXSID3024104 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0995 Unitless C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1 Fluoranthene 206-44-0|Fluoranthene|1,2-(1,8-Naphthalenediyl)benzene|1,2-(1,8-Naphthylene)benzene|1,2-Benzacenaphthene|Benzene, 1,2-(1,8-naphthalenediyl)-|Benzene, 1,2-(1,8-naphthylene)-|Benzo(jk)fluorene|Benzo[jk]fluorene|ClusterCarbon|EINECS 205-912-4|fluoranteno|Fluoranthen|Idryl|NSC 6803|RCRA waste number U120|UNII-360UOL779Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024104
ARPathway2016 ARPathway2016_109 Fluoranthene 206-44-0 DTXSID3024104 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1 Fluoranthene 206-44-0|Fluoranthene|1,2-(1,8-Naphthalenediyl)benzene|1,2-(1,8-Naphthylene)benzene|1,2-Benzacenaphthene|Benzene, 1,2-(1,8-naphthalenediyl)-|Benzene, 1,2-(1,8-naphthylene)-|Benzo(jk)fluorene|Benzo[jk]fluorene|ClusterCarbon|EINECS 205-912-4|fluoranteno|Fluoranthen|Idryl|NSC 6803|RCRA waste number U120|UNII-360UOL779Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024104
ARPathway2016 ARPathway2016_109 Fluoranthene 206-44-0 DTXSID3024104 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1 Fluoranthene 206-44-0|Fluoranthene|1,2-(1,8-Naphthalenediyl)benzene|1,2-(1,8-Naphthylene)benzene|1,2-Benzacenaphthene|Benzene, 1,2-(1,8-naphthalenediyl)-|Benzene, 1,2-(1,8-naphthylene)-|Benzo(jk)fluorene|Benzo[jk]fluorene|ClusterCarbon|EINECS 205-912-4|fluoranteno|Fluoranthen|Idryl|NSC 6803|RCRA waste number U120|UNII-360UOL779Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024104
ARPathway2016 ARPathway2016_109 Fluoranthene 206-44-0 DTXSID3024104 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1 Fluoranthene 206-44-0|Fluoranthene|1,2-(1,8-Naphthalenediyl)benzene|1,2-(1,8-Naphthylene)benzene|1,2-Benzacenaphthene|Benzene, 1,2-(1,8-naphthalenediyl)-|Benzene, 1,2-(1,8-naphthylene)-|Benzo(jk)fluorene|Benzo[jk]fluorene|ClusterCarbon|EINECS 205-912-4|fluoranteno|Fluoranthen|Idryl|NSC 6803|RCRA waste number U120|UNII-360UOL779Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024104
ERPathway2016 ERPathway2016_418 Fluoranthene 206-44-0 DTXSID3024104 ER Pathway Model, Antagonist AC50 55.5712861055591 uM C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1 Fluoranthene 206-44-0|Fluoranthene|1,2-(1,8-Naphthalenediyl)benzene|1,2-(1,8-Naphthylene)benzene|1,2-Benzacenaphthene|Benzene, 1,2-(1,8-naphthalenediyl)-|Benzene, 1,2-(1,8-naphthylene)-|Benzo(jk)fluorene|Benzo[jk]fluorene|ClusterCarbon|EINECS 205-912-4|fluoranteno|Fluoranthen|Idryl|NSC 6803|RCRA waste number U120|UNII-360UOL779Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024104
ERPathway2016 ERPathway2016_418 Fluoranthene 206-44-0 DTXSID3024104 ER Pathway Model, Antagonist ACC 48.3762409769574 uM C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1 Fluoranthene 206-44-0|Fluoranthene|1,2-(1,8-Naphthalenediyl)benzene|1,2-(1,8-Naphthylene)benzene|1,2-Benzacenaphthene|Benzene, 1,2-(1,8-naphthalenediyl)-|Benzene, 1,2-(1,8-naphthylene)-|Benzo(jk)fluorene|Benzo[jk]fluorene|ClusterCarbon|EINECS 205-912-4|fluoranteno|Fluoranthen|Idryl|NSC 6803|RCRA waste number U120|UNII-360UOL779Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024104
ERPathway2016 ERPathway2016_418 Fluoranthene 206-44-0 DTXSID3024104 ER Pathway Model, Agonist Model Score 0.00745 Unitless C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1 Fluoranthene 206-44-0|Fluoranthene|1,2-(1,8-Naphthalenediyl)benzene|1,2-(1,8-Naphthylene)benzene|1,2-Benzacenaphthene|Benzene, 1,2-(1,8-naphthalenediyl)-|Benzene, 1,2-(1,8-naphthylene)-|Benzo(jk)fluorene|Benzo[jk]fluorene|ClusterCarbon|EINECS 205-912-4|fluoranteno|Fluoranthen|Idryl|NSC 6803|RCRA waste number U120|UNII-360UOL779Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024104
ERPathway2016 ERPathway2016_418 Fluoranthene 206-44-0 DTXSID3024104 ER Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1 Fluoranthene 206-44-0|Fluoranthene|1,2-(1,8-Naphthalenediyl)benzene|1,2-(1,8-Naphthylene)benzene|1,2-Benzacenaphthene|Benzene, 1,2-(1,8-naphthalenediyl)-|Benzene, 1,2-(1,8-naphthylene)-|Benzo(jk)fluorene|Benzo[jk]fluorene|ClusterCarbon|EINECS 205-912-4|fluoranteno|Fluoranthen|Idryl|NSC 6803|RCRA waste number U120|UNII-360UOL779Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024104
ERPathway2016 ERPathway2016_418 Fluoranthene 206-44-0 DTXSID3024104 ER Pathway Model, Agonist Call Inactive Unitless C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1 Fluoranthene 206-44-0|Fluoranthene|1,2-(1,8-Naphthalenediyl)benzene|1,2-(1,8-Naphthylene)benzene|1,2-Benzacenaphthene|Benzene, 1,2-(1,8-naphthalenediyl)-|Benzene, 1,2-(1,8-naphthylene)-|Benzo(jk)fluorene|Benzo[jk]fluorene|ClusterCarbon|EINECS 205-912-4|fluoranteno|Fluoranthen|Idryl|NSC 6803|RCRA waste number U120|UNII-360UOL779Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024104
ERPathway2016 ERPathway2016_418 Fluoranthene 206-44-0 DTXSID3024104 ER Pathway Model, Antagonist Call Active Unitless C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1 Fluoranthene 206-44-0|Fluoranthene|1,2-(1,8-Naphthalenediyl)benzene|1,2-(1,8-Naphthylene)benzene|1,2-Benzacenaphthene|Benzene, 1,2-(1,8-naphthalenediyl)-|Benzene, 1,2-(1,8-naphthylene)-|Benzo(jk)fluorene|Benzo[jk]fluorene|ClusterCarbon|EINECS 205-912-4|fluoranteno|Fluoranthen|Idryl|NSC 6803|RCRA waste number U120|UNII-360UOL779Z https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024104
ARPathway2016 ARPathway2016_1655 Fluorene 86-73-7 DTXSID8024105 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1C2=C(C=CC=C2)C2=C1C=CC=C2 Fluorene 86-73-7|Fluorene|2,2'-Methylenebiphenyl|2,3-Benzindene|9H-Fluorene|Diphenylenemethane|EINECS 201-695-5|Fluoren|fluoreno|Methane, diphenylene-|NSC 6787|o-Biphenylenemethane|UNII-3Q2UY0968A|84987-80-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024105
ARPathway2016 ARPathway2016_1655 Fluorene 86-73-7 DTXSID8024105 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1C2=C(C=CC=C2)C2=C1C=CC=C2 Fluorene 86-73-7|Fluorene|2,2'-Methylenebiphenyl|2,3-Benzindene|9H-Fluorene|Diphenylenemethane|EINECS 201-695-5|Fluoren|fluoreno|Methane, diphenylene-|NSC 6787|o-Biphenylenemethane|UNII-3Q2UY0968A|84987-80-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024105
ARPathway2016 ARPathway2016_1655 Fluorene 86-73-7 DTXSID8024105 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1C2=C(C=CC=C2)C2=C1C=CC=C2 Fluorene 86-73-7|Fluorene|2,2'-Methylenebiphenyl|2,3-Benzindene|9H-Fluorene|Diphenylenemethane|EINECS 201-695-5|Fluoren|fluoreno|Methane, diphenylene-|NSC 6787|o-Biphenylenemethane|UNII-3Q2UY0968A|84987-80-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024105
ARPathway2016 ARPathway2016_1655 Fluorene 86-73-7 DTXSID8024105 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1C2=C(C=CC=C2)C2=C1C=CC=C2 Fluorene 86-73-7|Fluorene|2,2'-Methylenebiphenyl|2,3-Benzindene|9H-Fluorene|Diphenylenemethane|EINECS 201-695-5|Fluoren|fluoreno|Methane, diphenylene-|NSC 6787|o-Biphenylenemethane|UNII-3Q2UY0968A|84987-80-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024105
ERPathway2016 ERPathway2016_947 Fluorene 86-73-7 DTXSID8024105 ER Pathway Model, Agonist Model Score 0 Unitless C1C2=C(C=CC=C2)C2=C1C=CC=C2 Fluorene 86-73-7|Fluorene|2,2'-Methylenebiphenyl|2,3-Benzindene|9H-Fluorene|Diphenylenemethane|EINECS 201-695-5|Fluoren|fluoreno|Methane, diphenylene-|NSC 6787|o-Biphenylenemethane|UNII-3Q2UY0968A|84987-80-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024105
ERPathway2016 ERPathway2016_947 Fluorene 86-73-7 DTXSID8024105 ER Pathway Model, Antagonist Model Score 0 Unitless C1C2=C(C=CC=C2)C2=C1C=CC=C2 Fluorene 86-73-7|Fluorene|2,2'-Methylenebiphenyl|2,3-Benzindene|9H-Fluorene|Diphenylenemethane|EINECS 201-695-5|Fluoren|fluoreno|Methane, diphenylene-|NSC 6787|o-Biphenylenemethane|UNII-3Q2UY0968A|84987-80-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024105
ERPathway2016 ERPathway2016_947 Fluorene 86-73-7 DTXSID8024105 ER Pathway Model, Agonist Call Inactive Unitless C1C2=C(C=CC=C2)C2=C1C=CC=C2 Fluorene 86-73-7|Fluorene|2,2'-Methylenebiphenyl|2,3-Benzindene|9H-Fluorene|Diphenylenemethane|EINECS 201-695-5|Fluoren|fluoreno|Methane, diphenylene-|NSC 6787|o-Biphenylenemethane|UNII-3Q2UY0968A|84987-80-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024105
ERPathway2016 ERPathway2016_947 Fluorene 86-73-7 DTXSID8024105 ER Pathway Model, Antagonist Call Inactive Unitless C1C2=C(C=CC=C2)C2=C1C=CC=C2 Fluorene 86-73-7|Fluorene|2,2'-Methylenebiphenyl|2,3-Benzindene|9H-Fluorene|Diphenylenemethane|EINECS 201-695-5|Fluoren|fluoreno|Methane, diphenylene-|NSC 6787|o-Biphenylenemethane|UNII-3Q2UY0968A|84987-80-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024105
ARPathway2016 ARPathway2016_120 Fluorescein 2321-07-5 DTXSID0038887 2.0 Antagonist AR Pathway Model, Agonist AC50 12.65364951 uM OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(O)C=C1 Fluorescein 2321-07-5|Fluorescein|11712 Yellow|2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoesaure|2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid|3,6-Dihydroxyspiro(xanthene-9,3'-phthalide)|3,6-Dihydroxyspiro[xanthene-9,3'-phthalide]|3,6-fluorandiol|3',6'-Dihydroxyfluoran|3',6'-Dihydroxyspiro(isobenzofuran-1(3H),9'(9H)-xanthen)-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'[9H]xanthen]-3-one|3',6'-Fluorandiol|3H-Xanthen-3-one, 9-(o-carboxyphenyl)-6-hydroxy-|5-19-06-00456|9-(o-Carboxyphenyl)-6-hydroxy-3-isoxanthenone|9-(o-Carboxyphenyl)-6-hydroxy-3H-xanthen-3-one|Acide 2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoique|acide 2-(6-hydroxy-3-oxo-(3H)-xanthene-9-yl)benzoique|acido 2-(6-hidroxi-3-oxo-(3H)-xanten-9-il)benzoico|Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|Benzoic acid, o-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|BRN 0094324|C.I. 45350|C.I. 45350:1|C.I. Solvent Yellow 94|D and C|126605-73-0|213880-86-5|518-46-7|770677-61-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038887
ARPathway2016 ARPathway2016_120 Fluorescein 2321-07-5 DTXSID0038887 2.0 Antagonist AR Pathway Model, Agonist ACC 14.2598076054227 uM OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(O)C=C1 Fluorescein 2321-07-5|Fluorescein|11712 Yellow|2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoesaure|2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid|3,6-Dihydroxyspiro(xanthene-9,3'-phthalide)|3,6-Dihydroxyspiro[xanthene-9,3'-phthalide]|3,6-fluorandiol|3',6'-Dihydroxyfluoran|3',6'-Dihydroxyspiro(isobenzofuran-1(3H),9'(9H)-xanthen)-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'[9H]xanthen]-3-one|3',6'-Fluorandiol|3H-Xanthen-3-one, 9-(o-carboxyphenyl)-6-hydroxy-|5-19-06-00456|9-(o-Carboxyphenyl)-6-hydroxy-3-isoxanthenone|9-(o-Carboxyphenyl)-6-hydroxy-3H-xanthen-3-one|Acide 2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoique|acide 2-(6-hydroxy-3-oxo-(3H)-xanthene-9-yl)benzoique|acido 2-(6-hidroxi-3-oxo-(3H)-xanten-9-il)benzoico|Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|Benzoic acid, o-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|BRN 0094324|C.I. 45350|C.I. 45350:1|C.I. Solvent Yellow 94|D and C|126605-73-0|213880-86-5|518-46-7|770677-61-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038887
ARPathway2016 ARPathway2016_120 Fluorescein 2321-07-5 DTXSID0038887 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.191 Unitless OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(O)C=C1 Fluorescein 2321-07-5|Fluorescein|11712 Yellow|2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoesaure|2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid|3,6-Dihydroxyspiro(xanthene-9,3'-phthalide)|3,6-Dihydroxyspiro[xanthene-9,3'-phthalide]|3,6-fluorandiol|3',6'-Dihydroxyfluoran|3',6'-Dihydroxyspiro(isobenzofuran-1(3H),9'(9H)-xanthen)-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'[9H]xanthen]-3-one|3',6'-Fluorandiol|3H-Xanthen-3-one, 9-(o-carboxyphenyl)-6-hydroxy-|5-19-06-00456|9-(o-Carboxyphenyl)-6-hydroxy-3-isoxanthenone|9-(o-Carboxyphenyl)-6-hydroxy-3H-xanthen-3-one|Acide 2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoique|acide 2-(6-hydroxy-3-oxo-(3H)-xanthene-9-yl)benzoique|acido 2-(6-hidroxi-3-oxo-(3H)-xanten-9-il)benzoico|Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|Benzoic acid, o-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|BRN 0094324|C.I. 45350|C.I. 45350:1|C.I. Solvent Yellow 94|D and C|126605-73-0|213880-86-5|518-46-7|770677-61-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038887
ARPathway2016 ARPathway2016_120 Fluorescein 2321-07-5 DTXSID0038887 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(O)C=C1 Fluorescein 2321-07-5|Fluorescein|11712 Yellow|2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoesaure|2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid|3,6-Dihydroxyspiro(xanthene-9,3'-phthalide)|3,6-Dihydroxyspiro[xanthene-9,3'-phthalide]|3,6-fluorandiol|3',6'-Dihydroxyfluoran|3',6'-Dihydroxyspiro(isobenzofuran-1(3H),9'(9H)-xanthen)-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'[9H]xanthen]-3-one|3',6'-Fluorandiol|3H-Xanthen-3-one, 9-(o-carboxyphenyl)-6-hydroxy-|5-19-06-00456|9-(o-Carboxyphenyl)-6-hydroxy-3-isoxanthenone|9-(o-Carboxyphenyl)-6-hydroxy-3H-xanthen-3-one|Acide 2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoique|acide 2-(6-hydroxy-3-oxo-(3H)-xanthene-9-yl)benzoique|acido 2-(6-hidroxi-3-oxo-(3H)-xanten-9-il)benzoico|Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|Benzoic acid, o-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|BRN 0094324|C.I. 45350|C.I. 45350:1|C.I. Solvent Yellow 94|D and C|126605-73-0|213880-86-5|518-46-7|770677-61-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038887
ARPathway2016 ARPathway2016_120 Fluorescein 2321-07-5 DTXSID0038887 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(O)C=C1 Fluorescein 2321-07-5|Fluorescein|11712 Yellow|2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoesaure|2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid|3,6-Dihydroxyspiro(xanthene-9,3'-phthalide)|3,6-Dihydroxyspiro[xanthene-9,3'-phthalide]|3,6-fluorandiol|3',6'-Dihydroxyfluoran|3',6'-Dihydroxyspiro(isobenzofuran-1(3H),9'(9H)-xanthen)-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'[9H]xanthen]-3-one|3',6'-Fluorandiol|3H-Xanthen-3-one, 9-(o-carboxyphenyl)-6-hydroxy-|5-19-06-00456|9-(o-Carboxyphenyl)-6-hydroxy-3-isoxanthenone|9-(o-Carboxyphenyl)-6-hydroxy-3H-xanthen-3-one|Acide 2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoique|acide 2-(6-hydroxy-3-oxo-(3H)-xanthene-9-yl)benzoique|acido 2-(6-hidroxi-3-oxo-(3H)-xanten-9-il)benzoico|Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|Benzoic acid, o-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|BRN 0094324|C.I. 45350|C.I. 45350:1|C.I. Solvent Yellow 94|D and C|126605-73-0|213880-86-5|518-46-7|770677-61-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038887
ARPathway2016 ARPathway2016_120 Fluorescein 2321-07-5 DTXSID0038887 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(O)C=C1 Fluorescein 2321-07-5|Fluorescein|11712 Yellow|2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoesaure|2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid|3,6-Dihydroxyspiro(xanthene-9,3'-phthalide)|3,6-Dihydroxyspiro[xanthene-9,3'-phthalide]|3,6-fluorandiol|3',6'-Dihydroxyfluoran|3',6'-Dihydroxyspiro(isobenzofuran-1(3H),9'(9H)-xanthen)-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'[9H]xanthen]-3-one|3',6'-Fluorandiol|3H-Xanthen-3-one, 9-(o-carboxyphenyl)-6-hydroxy-|5-19-06-00456|9-(o-Carboxyphenyl)-6-hydroxy-3-isoxanthenone|9-(o-Carboxyphenyl)-6-hydroxy-3H-xanthen-3-one|Acide 2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoique|acide 2-(6-hydroxy-3-oxo-(3H)-xanthene-9-yl)benzoique|acido 2-(6-hidroxi-3-oxo-(3H)-xanten-9-il)benzoico|Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|Benzoic acid, o-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|BRN 0094324|C.I. 45350|C.I. 45350:1|C.I. Solvent Yellow 94|D and C|126605-73-0|213880-86-5|518-46-7|770677-61-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038887
ERPathway2016 ERPathway2016_36 Fluorescein 2321-07-5 DTXSID0038887 ER Pathway Model, Agonist AC50 20.5530266379156 uM OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(O)C=C1 Fluorescein 2321-07-5|Fluorescein|11712 Yellow|2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoesaure|2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid|3,6-Dihydroxyspiro(xanthene-9,3'-phthalide)|3,6-Dihydroxyspiro[xanthene-9,3'-phthalide]|3,6-fluorandiol|3',6'-Dihydroxyfluoran|3',6'-Dihydroxyspiro(isobenzofuran-1(3H),9'(9H)-xanthen)-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'[9H]xanthen]-3-one|3',6'-Fluorandiol|3H-Xanthen-3-one, 9-(o-carboxyphenyl)-6-hydroxy-|5-19-06-00456|9-(o-Carboxyphenyl)-6-hydroxy-3-isoxanthenone|9-(o-Carboxyphenyl)-6-hydroxy-3H-xanthen-3-one|Acide 2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoique|acide 2-(6-hydroxy-3-oxo-(3H)-xanthene-9-yl)benzoique|acido 2-(6-hidroxi-3-oxo-(3H)-xanten-9-il)benzoico|Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|Benzoic acid, o-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|BRN 0094324|C.I. 45350|C.I. 45350:1|C.I. Solvent Yellow 94|D and C|126605-73-0|213880-86-5|518-46-7|770677-61-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038887
ERPathway2016 ERPathway2016_36 Fluorescein 2321-07-5 DTXSID0038887 ER Pathway Model, Agonist ACC 15.5323526956093 uM OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(O)C=C1 Fluorescein 2321-07-5|Fluorescein|11712 Yellow|2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoesaure|2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid|3,6-Dihydroxyspiro(xanthene-9,3'-phthalide)|3,6-Dihydroxyspiro[xanthene-9,3'-phthalide]|3,6-fluorandiol|3',6'-Dihydroxyfluoran|3',6'-Dihydroxyspiro(isobenzofuran-1(3H),9'(9H)-xanthen)-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'[9H]xanthen]-3-one|3',6'-Fluorandiol|3H-Xanthen-3-one, 9-(o-carboxyphenyl)-6-hydroxy-|5-19-06-00456|9-(o-Carboxyphenyl)-6-hydroxy-3-isoxanthenone|9-(o-Carboxyphenyl)-6-hydroxy-3H-xanthen-3-one|Acide 2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoique|acide 2-(6-hydroxy-3-oxo-(3H)-xanthene-9-yl)benzoique|acido 2-(6-hidroxi-3-oxo-(3H)-xanten-9-il)benzoico|Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|Benzoic acid, o-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|BRN 0094324|C.I. 45350|C.I. 45350:1|C.I. Solvent Yellow 94|D and C|126605-73-0|213880-86-5|518-46-7|770677-61-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038887
ERPathway2016 ERPathway2016_36 Fluorescein 2321-07-5 DTXSID0038887 ER Pathway Model, Agonist Model Score 0.00451 Unitless OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(O)C=C1 Fluorescein 2321-07-5|Fluorescein|11712 Yellow|2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoesaure|2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid|3,6-Dihydroxyspiro(xanthene-9,3'-phthalide)|3,6-Dihydroxyspiro[xanthene-9,3'-phthalide]|3,6-fluorandiol|3',6'-Dihydroxyfluoran|3',6'-Dihydroxyspiro(isobenzofuran-1(3H),9'(9H)-xanthen)-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'[9H]xanthen]-3-one|3',6'-Fluorandiol|3H-Xanthen-3-one, 9-(o-carboxyphenyl)-6-hydroxy-|5-19-06-00456|9-(o-Carboxyphenyl)-6-hydroxy-3-isoxanthenone|9-(o-Carboxyphenyl)-6-hydroxy-3H-xanthen-3-one|Acide 2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoique|acide 2-(6-hydroxy-3-oxo-(3H)-xanthene-9-yl)benzoique|acido 2-(6-hidroxi-3-oxo-(3H)-xanten-9-il)benzoico|Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|Benzoic acid, o-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|BRN 0094324|C.I. 45350|C.I. 45350:1|C.I. Solvent Yellow 94|D and C|126605-73-0|213880-86-5|518-46-7|770677-61-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038887
ERPathway2016 ERPathway2016_36 Fluorescein 2321-07-5 DTXSID0038887 ER Pathway Model, Antagonist Model Score 0.0354 Unitless OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(O)C=C1 Fluorescein 2321-07-5|Fluorescein|11712 Yellow|2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoesaure|2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid|3,6-Dihydroxyspiro(xanthene-9,3'-phthalide)|3,6-Dihydroxyspiro[xanthene-9,3'-phthalide]|3,6-fluorandiol|3',6'-Dihydroxyfluoran|3',6'-Dihydroxyspiro(isobenzofuran-1(3H),9'(9H)-xanthen)-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'[9H]xanthen]-3-one|3',6'-Fluorandiol|3H-Xanthen-3-one, 9-(o-carboxyphenyl)-6-hydroxy-|5-19-06-00456|9-(o-Carboxyphenyl)-6-hydroxy-3-isoxanthenone|9-(o-Carboxyphenyl)-6-hydroxy-3H-xanthen-3-one|Acide 2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoique|acide 2-(6-hydroxy-3-oxo-(3H)-xanthene-9-yl)benzoique|acido 2-(6-hidroxi-3-oxo-(3H)-xanten-9-il)benzoico|Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|Benzoic acid, o-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|BRN 0094324|C.I. 45350|C.I. 45350:1|C.I. Solvent Yellow 94|D and C|126605-73-0|213880-86-5|518-46-7|770677-61-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038887
ERPathway2016 ERPathway2016_36 Fluorescein 2321-07-5 DTXSID0038887 ER Pathway Model, Agonist Call Active Unitless OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(O)C=C1 Fluorescein 2321-07-5|Fluorescein|11712 Yellow|2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoesaure|2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid|3,6-Dihydroxyspiro(xanthene-9,3'-phthalide)|3,6-Dihydroxyspiro[xanthene-9,3'-phthalide]|3,6-fluorandiol|3',6'-Dihydroxyfluoran|3',6'-Dihydroxyspiro(isobenzofuran-1(3H),9'(9H)-xanthen)-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'[9H]xanthen]-3-one|3',6'-Fluorandiol|3H-Xanthen-3-one, 9-(o-carboxyphenyl)-6-hydroxy-|5-19-06-00456|9-(o-Carboxyphenyl)-6-hydroxy-3-isoxanthenone|9-(o-Carboxyphenyl)-6-hydroxy-3H-xanthen-3-one|Acide 2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoique|acide 2-(6-hydroxy-3-oxo-(3H)-xanthene-9-yl)benzoique|acido 2-(6-hidroxi-3-oxo-(3H)-xanten-9-il)benzoico|Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|Benzoic acid, o-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|BRN 0094324|C.I. 45350|C.I. 45350:1|C.I. Solvent Yellow 94|D and C|126605-73-0|213880-86-5|518-46-7|770677-61-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038887
ERPathway2016 ERPathway2016_36 Fluorescein 2321-07-5 DTXSID0038887 ER Pathway Model, Antagonist Call Inactive Unitless OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(O)C=C1 Fluorescein 2321-07-5|Fluorescein|11712 Yellow|2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoesaure|2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoic acid|2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid|3,6-Dihydroxyspiro(xanthene-9,3'-phthalide)|3,6-Dihydroxyspiro[xanthene-9,3'-phthalide]|3,6-fluorandiol|3',6'-Dihydroxyfluoran|3',6'-Dihydroxyspiro(isobenzofuran-1(3H),9'(9H)-xanthen)-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one|3',6'-Dihydroxyspiro[isobenzofuran-1(3H),9'[9H]xanthen]-3-one|3',6'-Fluorandiol|3H-Xanthen-3-one, 9-(o-carboxyphenyl)-6-hydroxy-|5-19-06-00456|9-(o-Carboxyphenyl)-6-hydroxy-3-isoxanthenone|9-(o-Carboxyphenyl)-6-hydroxy-3H-xanthen-3-one|Acide 2-(6-hydroxy-3-oxo-(3H)-xanthen-9-yl)benzoique|acide 2-(6-hydroxy-3-oxo-(3H)-xanthene-9-yl)benzoique|acido 2-(6-hidroxi-3-oxo-(3H)-xanten-9-il)benzoico|Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|Benzoic acid, o-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-|BRN 0094324|C.I. 45350|C.I. 45350:1|C.I. Solvent Yellow 94|D and C|126605-73-0|213880-86-5|518-46-7|770677-61-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0038887
ARPathway2016 ARPathway2016_1444 Fluorotelomer alcohol 6:2 647-42-7 DTXSID5044572 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 6:2 647-42-7|Fluorotelomer alcohol 6:2|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-|1,1,2,2-Tetrahydroperfluoro-1-octanol|1,1,2,2-Tetrahydroperfluorooctan-1-ol|1,1,2,2-Tetrahydroperfluorooctanol|1,1,2,2-Tetrahydrotridecafluorooctanol|1H,1H,2H,2H-Perfluoro-1-octanol|1H,1H,2H,2H-Perfluorooctan-1-ol|1H,1H,2H,2H-Perfluorooctanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-n-octanol|1H,1H,2H,2H-Tridecafluorooctanol|2-(Perfluorohexyl)ethanol|2-(Perfluorohexyl)ethyl alcohol|2-(Tridecafluorohexyl)ethanol|2-Perfluorohexyl ethanol (6:2)|211-477-1|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanol|6:2 FTOH|6:2-Fluorotelomer alcohol|6:2FTOH|Capstone 62AL|Cheminox FA 6|EC No.: 211-477-1|EINECS 211-477-1|FHET|Fluowet EA 600|Foralkyl EOH 6|FtOH 6:2|Perfluorohexylethanol|TEOH 6|UNII-G2R5YO5N3V|119937-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044572
ARPathway2016 ARPathway2016_1444 Fluorotelomer alcohol 6:2 647-42-7 DTXSID5044572 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 6:2 647-42-7|Fluorotelomer alcohol 6:2|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-|1,1,2,2-Tetrahydroperfluoro-1-octanol|1,1,2,2-Tetrahydroperfluorooctan-1-ol|1,1,2,2-Tetrahydroperfluorooctanol|1,1,2,2-Tetrahydrotridecafluorooctanol|1H,1H,2H,2H-Perfluoro-1-octanol|1H,1H,2H,2H-Perfluorooctan-1-ol|1H,1H,2H,2H-Perfluorooctanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-n-octanol|1H,1H,2H,2H-Tridecafluorooctanol|2-(Perfluorohexyl)ethanol|2-(Perfluorohexyl)ethyl alcohol|2-(Tridecafluorohexyl)ethanol|2-Perfluorohexyl ethanol (6:2)|211-477-1|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanol|6:2 FTOH|6:2-Fluorotelomer alcohol|6:2FTOH|Capstone 62AL|Cheminox FA 6|EC No.: 211-477-1|EINECS 211-477-1|FHET|Fluowet EA 600|Foralkyl EOH 6|FtOH 6:2|Perfluorohexylethanol|TEOH 6|UNII-G2R5YO5N3V|119937-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044572
ARPathway2016 ARPathway2016_1444 Fluorotelomer alcohol 6:2 647-42-7 DTXSID5044572 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 6:2 647-42-7|Fluorotelomer alcohol 6:2|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-|1,1,2,2-Tetrahydroperfluoro-1-octanol|1,1,2,2-Tetrahydroperfluorooctan-1-ol|1,1,2,2-Tetrahydroperfluorooctanol|1,1,2,2-Tetrahydrotridecafluorooctanol|1H,1H,2H,2H-Perfluoro-1-octanol|1H,1H,2H,2H-Perfluorooctan-1-ol|1H,1H,2H,2H-Perfluorooctanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-n-octanol|1H,1H,2H,2H-Tridecafluorooctanol|2-(Perfluorohexyl)ethanol|2-(Perfluorohexyl)ethyl alcohol|2-(Tridecafluorohexyl)ethanol|2-Perfluorohexyl ethanol (6:2)|211-477-1|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanol|6:2 FTOH|6:2-Fluorotelomer alcohol|6:2FTOH|Capstone 62AL|Cheminox FA 6|EC No.: 211-477-1|EINECS 211-477-1|FHET|Fluowet EA 600|Foralkyl EOH 6|FtOH 6:2|Perfluorohexylethanol|TEOH 6|UNII-G2R5YO5N3V|119937-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044572
ARPathway2016 ARPathway2016_1444 Fluorotelomer alcohol 6:2 647-42-7 DTXSID5044572 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 6:2 647-42-7|Fluorotelomer alcohol 6:2|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-|1,1,2,2-Tetrahydroperfluoro-1-octanol|1,1,2,2-Tetrahydroperfluorooctan-1-ol|1,1,2,2-Tetrahydroperfluorooctanol|1,1,2,2-Tetrahydrotridecafluorooctanol|1H,1H,2H,2H-Perfluoro-1-octanol|1H,1H,2H,2H-Perfluorooctan-1-ol|1H,1H,2H,2H-Perfluorooctanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-n-octanol|1H,1H,2H,2H-Tridecafluorooctanol|2-(Perfluorohexyl)ethanol|2-(Perfluorohexyl)ethyl alcohol|2-(Tridecafluorohexyl)ethanol|2-Perfluorohexyl ethanol (6:2)|211-477-1|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanol|6:2 FTOH|6:2-Fluorotelomer alcohol|6:2FTOH|Capstone 62AL|Cheminox FA 6|EC No.: 211-477-1|EINECS 211-477-1|FHET|Fluowet EA 600|Foralkyl EOH 6|FtOH 6:2|Perfluorohexylethanol|TEOH 6|UNII-G2R5YO5N3V|119937-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044572
ERPathway2016 ERPathway2016_425 Fluorotelomer alcohol 6:2 647-42-7 DTXSID5044572 ER Pathway Model, Antagonist AC50 10.7179787827983 uM OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 6:2 647-42-7|Fluorotelomer alcohol 6:2|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-|1,1,2,2-Tetrahydroperfluoro-1-octanol|1,1,2,2-Tetrahydroperfluorooctan-1-ol|1,1,2,2-Tetrahydroperfluorooctanol|1,1,2,2-Tetrahydrotridecafluorooctanol|1H,1H,2H,2H-Perfluoro-1-octanol|1H,1H,2H,2H-Perfluorooctan-1-ol|1H,1H,2H,2H-Perfluorooctanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-n-octanol|1H,1H,2H,2H-Tridecafluorooctanol|2-(Perfluorohexyl)ethanol|2-(Perfluorohexyl)ethyl alcohol|2-(Tridecafluorohexyl)ethanol|2-Perfluorohexyl ethanol (6:2)|211-477-1|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanol|6:2 FTOH|6:2-Fluorotelomer alcohol|6:2FTOH|Capstone 62AL|Cheminox FA 6|EC No.: 211-477-1|EINECS 211-477-1|FHET|Fluowet EA 600|Foralkyl EOH 6|FtOH 6:2|Perfluorohexylethanol|TEOH 6|UNII-G2R5YO5N3V|119937-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044572
ERPathway2016 ERPathway2016_425 Fluorotelomer alcohol 6:2 647-42-7 DTXSID5044572 ER Pathway Model, Antagonist ACC 9.3525103421385 uM OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 6:2 647-42-7|Fluorotelomer alcohol 6:2|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-|1,1,2,2-Tetrahydroperfluoro-1-octanol|1,1,2,2-Tetrahydroperfluorooctan-1-ol|1,1,2,2-Tetrahydroperfluorooctanol|1,1,2,2-Tetrahydrotridecafluorooctanol|1H,1H,2H,2H-Perfluoro-1-octanol|1H,1H,2H,2H-Perfluorooctan-1-ol|1H,1H,2H,2H-Perfluorooctanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-n-octanol|1H,1H,2H,2H-Tridecafluorooctanol|2-(Perfluorohexyl)ethanol|2-(Perfluorohexyl)ethyl alcohol|2-(Tridecafluorohexyl)ethanol|2-Perfluorohexyl ethanol (6:2)|211-477-1|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanol|6:2 FTOH|6:2-Fluorotelomer alcohol|6:2FTOH|Capstone 62AL|Cheminox FA 6|EC No.: 211-477-1|EINECS 211-477-1|FHET|Fluowet EA 600|Foralkyl EOH 6|FtOH 6:2|Perfluorohexylethanol|TEOH 6|UNII-G2R5YO5N3V|119937-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044572
ERPathway2016 ERPathway2016_425 Fluorotelomer alcohol 6:2 647-42-7 DTXSID5044572 ER Pathway Model, Agonist Model Score 0.007 Unitless OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 6:2 647-42-7|Fluorotelomer alcohol 6:2|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-|1,1,2,2-Tetrahydroperfluoro-1-octanol|1,1,2,2-Tetrahydroperfluorooctan-1-ol|1,1,2,2-Tetrahydroperfluorooctanol|1,1,2,2-Tetrahydrotridecafluorooctanol|1H,1H,2H,2H-Perfluoro-1-octanol|1H,1H,2H,2H-Perfluorooctan-1-ol|1H,1H,2H,2H-Perfluorooctanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-n-octanol|1H,1H,2H,2H-Tridecafluorooctanol|2-(Perfluorohexyl)ethanol|2-(Perfluorohexyl)ethyl alcohol|2-(Tridecafluorohexyl)ethanol|2-Perfluorohexyl ethanol (6:2)|211-477-1|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanol|6:2 FTOH|6:2-Fluorotelomer alcohol|6:2FTOH|Capstone 62AL|Cheminox FA 6|EC No.: 211-477-1|EINECS 211-477-1|FHET|Fluowet EA 600|Foralkyl EOH 6|FtOH 6:2|Perfluorohexylethanol|TEOH 6|UNII-G2R5YO5N3V|119937-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044572
ERPathway2016 ERPathway2016_425 Fluorotelomer alcohol 6:2 647-42-7 DTXSID5044572 ER Pathway Model, Antagonist Model Score 0 Unitless OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 6:2 647-42-7|Fluorotelomer alcohol 6:2|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-|1,1,2,2-Tetrahydroperfluoro-1-octanol|1,1,2,2-Tetrahydroperfluorooctan-1-ol|1,1,2,2-Tetrahydroperfluorooctanol|1,1,2,2-Tetrahydrotridecafluorooctanol|1H,1H,2H,2H-Perfluoro-1-octanol|1H,1H,2H,2H-Perfluorooctan-1-ol|1H,1H,2H,2H-Perfluorooctanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-n-octanol|1H,1H,2H,2H-Tridecafluorooctanol|2-(Perfluorohexyl)ethanol|2-(Perfluorohexyl)ethyl alcohol|2-(Tridecafluorohexyl)ethanol|2-Perfluorohexyl ethanol (6:2)|211-477-1|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanol|6:2 FTOH|6:2-Fluorotelomer alcohol|6:2FTOH|Capstone 62AL|Cheminox FA 6|EC No.: 211-477-1|EINECS 211-477-1|FHET|Fluowet EA 600|Foralkyl EOH 6|FtOH 6:2|Perfluorohexylethanol|TEOH 6|UNII-G2R5YO5N3V|119937-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044572
ERPathway2016 ERPathway2016_425 Fluorotelomer alcohol 6:2 647-42-7 DTXSID5044572 ER Pathway Model, Agonist Call Inactive Unitless OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 6:2 647-42-7|Fluorotelomer alcohol 6:2|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-|1,1,2,2-Tetrahydroperfluoro-1-octanol|1,1,2,2-Tetrahydroperfluorooctan-1-ol|1,1,2,2-Tetrahydroperfluorooctanol|1,1,2,2-Tetrahydrotridecafluorooctanol|1H,1H,2H,2H-Perfluoro-1-octanol|1H,1H,2H,2H-Perfluorooctan-1-ol|1H,1H,2H,2H-Perfluorooctanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-n-octanol|1H,1H,2H,2H-Tridecafluorooctanol|2-(Perfluorohexyl)ethanol|2-(Perfluorohexyl)ethyl alcohol|2-(Tridecafluorohexyl)ethanol|2-Perfluorohexyl ethanol (6:2)|211-477-1|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanol|6:2 FTOH|6:2-Fluorotelomer alcohol|6:2FTOH|Capstone 62AL|Cheminox FA 6|EC No.: 211-477-1|EINECS 211-477-1|FHET|Fluowet EA 600|Foralkyl EOH 6|FtOH 6:2|Perfluorohexylethanol|TEOH 6|UNII-G2R5YO5N3V|119937-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044572
ERPathway2016 ERPathway2016_425 Fluorotelomer alcohol 6:2 647-42-7 DTXSID5044572 ER Pathway Model, Antagonist Call Active Unitless OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 6:2 647-42-7|Fluorotelomer alcohol 6:2|1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-|1,1,2,2-Tetrahydroperfluoro-1-octanol|1,1,2,2-Tetrahydroperfluorooctan-1-ol|1,1,2,2-Tetrahydroperfluorooctanol|1,1,2,2-Tetrahydrotridecafluorooctanol|1H,1H,2H,2H-Perfluoro-1-octanol|1H,1H,2H,2H-Perfluorooctan-1-ol|1H,1H,2H,2H-Perfluorooctanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-1-octanol|1H,1H,2H,2H-Tridecafluoro-n-octanol|1H,1H,2H,2H-Tridecafluorooctanol|2-(Perfluorohexyl)ethanol|2-(Perfluorohexyl)ethyl alcohol|2-(Tridecafluorohexyl)ethanol|2-Perfluorohexyl ethanol (6:2)|211-477-1|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoroctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-ol|3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanol|6:2 FTOH|6:2-Fluorotelomer alcohol|6:2FTOH|Capstone 62AL|Cheminox FA 6|EC No.: 211-477-1|EINECS 211-477-1|FHET|Fluowet EA 600|Foralkyl EOH 6|FtOH 6:2|Perfluorohexylethanol|TEOH 6|UNII-G2R5YO5N3V|119937-79-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044572
ARPathway2016 ARPathway2016_1475 Fluorotelomer alcohol 8:2 678-39-7 DTXSID7029904 0.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 8:2 678-39-7|Fluorotelomer alcohol 8:2|(Perfluorooctyl)ethanol|1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8, 9,9,10,10,10-heptadecafluoro-|1- Decanol, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 10- heptadecafluoro-|1,1,2,2-Tetrahydroheptadecafluorodecanol|1,1,2,2-Tetrahydroperfluoro-1-decanol|1,1,2,2-Tetrahydroperfluorodecan-1-ol|1,1,2,2-Tetrahydroperfluorodecanol|1,1,2,2-Tetrahydroperfluorodecyl alcohol|1H,1H,2H,2H-Heptadecafluoro-1-decanol|1H,1H,2H,2H-Perfluorodecan-1-ol|1H,1H,2H,2H-Perfluorodecanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-decanol|2-(Heptadecafluorooctyl)ethanol|2-(Perfluorooctyl)ethanol|2-(Perfluorooctyl)ethyl alcohol|2-Perfluorooctyl ethanol (8:2)|2-perfluorooctylethanol|211-648-0|3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecan-1-ol|8-2 Telomer B alcohol|8:2 fluorotelomer alcohol|8:2 FTOH|A 1820|beta-(Heptadecafluorooctyl)ethanol|C 1820|Daikin A 1820|EC No.: 211-648-0|EINECS 211-648-0|Fluorotelomer alcohol 8:2|Fluowet EA 800|FOET|FtOH 8:2|PFA 8|UNII-UM7L66OFE1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029904 https://doi.org/10.22427/NTP-DATA-DTXSID7029904
ARPathway2016 ARPathway2016_1475 Fluorotelomer alcohol 8:2 678-39-7 DTXSID7029904 0.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 8:2 678-39-7|Fluorotelomer alcohol 8:2|(Perfluorooctyl)ethanol|1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8, 9,9,10,10,10-heptadecafluoro-|1- Decanol, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 10- heptadecafluoro-|1,1,2,2-Tetrahydroheptadecafluorodecanol|1,1,2,2-Tetrahydroperfluoro-1-decanol|1,1,2,2-Tetrahydroperfluorodecan-1-ol|1,1,2,2-Tetrahydroperfluorodecanol|1,1,2,2-Tetrahydroperfluorodecyl alcohol|1H,1H,2H,2H-Heptadecafluoro-1-decanol|1H,1H,2H,2H-Perfluorodecan-1-ol|1H,1H,2H,2H-Perfluorodecanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-decanol|2-(Heptadecafluorooctyl)ethanol|2-(Perfluorooctyl)ethanol|2-(Perfluorooctyl)ethyl alcohol|2-Perfluorooctyl ethanol (8:2)|2-perfluorooctylethanol|211-648-0|3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecan-1-ol|8-2 Telomer B alcohol|8:2 fluorotelomer alcohol|8:2 FTOH|A 1820|beta-(Heptadecafluorooctyl)ethanol|C 1820|Daikin A 1820|EC No.: 211-648-0|EINECS 211-648-0|Fluorotelomer alcohol 8:2|Fluowet EA 800|FOET|FtOH 8:2|PFA 8|UNII-UM7L66OFE1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029904 https://doi.org/10.22427/NTP-DATA-DTXSID7029904
ARPathway2016 ARPathway2016_1475 Fluorotelomer alcohol 8:2 678-39-7 DTXSID7029904 0.0 R5 AR Pathway Model, Agonist Call Inactive Unitless OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 8:2 678-39-7|Fluorotelomer alcohol 8:2|(Perfluorooctyl)ethanol|1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8, 9,9,10,10,10-heptadecafluoro-|1- Decanol, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 10- heptadecafluoro-|1,1,2,2-Tetrahydroheptadecafluorodecanol|1,1,2,2-Tetrahydroperfluoro-1-decanol|1,1,2,2-Tetrahydroperfluorodecan-1-ol|1,1,2,2-Tetrahydroperfluorodecanol|1,1,2,2-Tetrahydroperfluorodecyl alcohol|1H,1H,2H,2H-Heptadecafluoro-1-decanol|1H,1H,2H,2H-Perfluorodecan-1-ol|1H,1H,2H,2H-Perfluorodecanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-decanol|2-(Heptadecafluorooctyl)ethanol|2-(Perfluorooctyl)ethanol|2-(Perfluorooctyl)ethyl alcohol|2-Perfluorooctyl ethanol (8:2)|2-perfluorooctylethanol|211-648-0|3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecan-1-ol|8-2 Telomer B alcohol|8:2 fluorotelomer alcohol|8:2 FTOH|A 1820|beta-(Heptadecafluorooctyl)ethanol|C 1820|Daikin A 1820|EC No.: 211-648-0|EINECS 211-648-0|Fluorotelomer alcohol 8:2|Fluowet EA 800|FOET|FtOH 8:2|PFA 8|UNII-UM7L66OFE1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029904 https://doi.org/10.22427/NTP-DATA-DTXSID7029904
ARPathway2016 ARPathway2016_1475 Fluorotelomer alcohol 8:2 678-39-7 DTXSID7029904 0.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 8:2 678-39-7|Fluorotelomer alcohol 8:2|(Perfluorooctyl)ethanol|1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8, 9,9,10,10,10-heptadecafluoro-|1- Decanol, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 10- heptadecafluoro-|1,1,2,2-Tetrahydroheptadecafluorodecanol|1,1,2,2-Tetrahydroperfluoro-1-decanol|1,1,2,2-Tetrahydroperfluorodecan-1-ol|1,1,2,2-Tetrahydroperfluorodecanol|1,1,2,2-Tetrahydroperfluorodecyl alcohol|1H,1H,2H,2H-Heptadecafluoro-1-decanol|1H,1H,2H,2H-Perfluorodecan-1-ol|1H,1H,2H,2H-Perfluorodecanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-decanol|2-(Heptadecafluorooctyl)ethanol|2-(Perfluorooctyl)ethanol|2-(Perfluorooctyl)ethyl alcohol|2-Perfluorooctyl ethanol (8:2)|2-perfluorooctylethanol|211-648-0|3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecan-1-ol|8-2 Telomer B alcohol|8:2 fluorotelomer alcohol|8:2 FTOH|A 1820|beta-(Heptadecafluorooctyl)ethanol|C 1820|Daikin A 1820|EC No.: 211-648-0|EINECS 211-648-0|Fluorotelomer alcohol 8:2|Fluowet EA 800|FOET|FtOH 8:2|PFA 8|UNII-UM7L66OFE1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029904 https://doi.org/10.22427/NTP-DATA-DTXSID7029904
ERPathway2016 ERPathway2016_367 Fluorotelomer alcohol 8:2 678-39-7 DTXSID7029904 ER Pathway Model, Antagonist AC50 3.66146473938113 uM OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 8:2 678-39-7|Fluorotelomer alcohol 8:2|(Perfluorooctyl)ethanol|1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8, 9,9,10,10,10-heptadecafluoro-|1- Decanol, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 10- heptadecafluoro-|1,1,2,2-Tetrahydroheptadecafluorodecanol|1,1,2,2-Tetrahydroperfluoro-1-decanol|1,1,2,2-Tetrahydroperfluorodecan-1-ol|1,1,2,2-Tetrahydroperfluorodecanol|1,1,2,2-Tetrahydroperfluorodecyl alcohol|1H,1H,2H,2H-Heptadecafluoro-1-decanol|1H,1H,2H,2H-Perfluorodecan-1-ol|1H,1H,2H,2H-Perfluorodecanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-decanol|2-(Heptadecafluorooctyl)ethanol|2-(Perfluorooctyl)ethanol|2-(Perfluorooctyl)ethyl alcohol|2-Perfluorooctyl ethanol (8:2)|2-perfluorooctylethanol|211-648-0|3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecan-1-ol|8-2 Telomer B alcohol|8:2 fluorotelomer alcohol|8:2 FTOH|A 1820|beta-(Heptadecafluorooctyl)ethanol|C 1820|Daikin A 1820|EC No.: 211-648-0|EINECS 211-648-0|Fluorotelomer alcohol 8:2|Fluowet EA 800|FOET|FtOH 8:2|PFA 8|UNII-UM7L66OFE1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029904 https://doi.org/10.22427/NTP-DATA-DTXSID7029904
ERPathway2016 ERPathway2016_367 Fluorotelomer alcohol 8:2 678-39-7 DTXSID7029904 ER Pathway Model, Antagonist ACC 4.12744285581786 uM OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 8:2 678-39-7|Fluorotelomer alcohol 8:2|(Perfluorooctyl)ethanol|1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8, 9,9,10,10,10-heptadecafluoro-|1- Decanol, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 10- heptadecafluoro-|1,1,2,2-Tetrahydroheptadecafluorodecanol|1,1,2,2-Tetrahydroperfluoro-1-decanol|1,1,2,2-Tetrahydroperfluorodecan-1-ol|1,1,2,2-Tetrahydroperfluorodecanol|1,1,2,2-Tetrahydroperfluorodecyl alcohol|1H,1H,2H,2H-Heptadecafluoro-1-decanol|1H,1H,2H,2H-Perfluorodecan-1-ol|1H,1H,2H,2H-Perfluorodecanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-decanol|2-(Heptadecafluorooctyl)ethanol|2-(Perfluorooctyl)ethanol|2-(Perfluorooctyl)ethyl alcohol|2-Perfluorooctyl ethanol (8:2)|2-perfluorooctylethanol|211-648-0|3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecan-1-ol|8-2 Telomer B alcohol|8:2 fluorotelomer alcohol|8:2 FTOH|A 1820|beta-(Heptadecafluorooctyl)ethanol|C 1820|Daikin A 1820|EC No.: 211-648-0|EINECS 211-648-0|Fluorotelomer alcohol 8:2|Fluowet EA 800|FOET|FtOH 8:2|PFA 8|UNII-UM7L66OFE1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029904 https://doi.org/10.22427/NTP-DATA-DTXSID7029904
ERPathway2016 ERPathway2016_367 Fluorotelomer alcohol 8:2 678-39-7 DTXSID7029904 ER Pathway Model, Agonist Model Score 0.0146 Unitless OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 8:2 678-39-7|Fluorotelomer alcohol 8:2|(Perfluorooctyl)ethanol|1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8, 9,9,10,10,10-heptadecafluoro-|1- Decanol, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 10- heptadecafluoro-|1,1,2,2-Tetrahydroheptadecafluorodecanol|1,1,2,2-Tetrahydroperfluoro-1-decanol|1,1,2,2-Tetrahydroperfluorodecan-1-ol|1,1,2,2-Tetrahydroperfluorodecanol|1,1,2,2-Tetrahydroperfluorodecyl alcohol|1H,1H,2H,2H-Heptadecafluoro-1-decanol|1H,1H,2H,2H-Perfluorodecan-1-ol|1H,1H,2H,2H-Perfluorodecanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-decanol|2-(Heptadecafluorooctyl)ethanol|2-(Perfluorooctyl)ethanol|2-(Perfluorooctyl)ethyl alcohol|2-Perfluorooctyl ethanol (8:2)|2-perfluorooctylethanol|211-648-0|3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecan-1-ol|8-2 Telomer B alcohol|8:2 fluorotelomer alcohol|8:2 FTOH|A 1820|beta-(Heptadecafluorooctyl)ethanol|C 1820|Daikin A 1820|EC No.: 211-648-0|EINECS 211-648-0|Fluorotelomer alcohol 8:2|Fluowet EA 800|FOET|FtOH 8:2|PFA 8|UNII-UM7L66OFE1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029904 https://doi.org/10.22427/NTP-DATA-DTXSID7029904
ERPathway2016 ERPathway2016_367 Fluorotelomer alcohol 8:2 678-39-7 DTXSID7029904 ER Pathway Model, Antagonist Model Score 0 Unitless OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 8:2 678-39-7|Fluorotelomer alcohol 8:2|(Perfluorooctyl)ethanol|1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8, 9,9,10,10,10-heptadecafluoro-|1- Decanol, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 10- heptadecafluoro-|1,1,2,2-Tetrahydroheptadecafluorodecanol|1,1,2,2-Tetrahydroperfluoro-1-decanol|1,1,2,2-Tetrahydroperfluorodecan-1-ol|1,1,2,2-Tetrahydroperfluorodecanol|1,1,2,2-Tetrahydroperfluorodecyl alcohol|1H,1H,2H,2H-Heptadecafluoro-1-decanol|1H,1H,2H,2H-Perfluorodecan-1-ol|1H,1H,2H,2H-Perfluorodecanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-decanol|2-(Heptadecafluorooctyl)ethanol|2-(Perfluorooctyl)ethanol|2-(Perfluorooctyl)ethyl alcohol|2-Perfluorooctyl ethanol (8:2)|2-perfluorooctylethanol|211-648-0|3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecan-1-ol|8-2 Telomer B alcohol|8:2 fluorotelomer alcohol|8:2 FTOH|A 1820|beta-(Heptadecafluorooctyl)ethanol|C 1820|Daikin A 1820|EC No.: 211-648-0|EINECS 211-648-0|Fluorotelomer alcohol 8:2|Fluowet EA 800|FOET|FtOH 8:2|PFA 8|UNII-UM7L66OFE1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029904 https://doi.org/10.22427/NTP-DATA-DTXSID7029904
ERPathway2016 ERPathway2016_367 Fluorotelomer alcohol 8:2 678-39-7 DTXSID7029904 ER Pathway Model, Agonist Call Inactive Unitless OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 8:2 678-39-7|Fluorotelomer alcohol 8:2|(Perfluorooctyl)ethanol|1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8, 9,9,10,10,10-heptadecafluoro-|1- Decanol, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 10- heptadecafluoro-|1,1,2,2-Tetrahydroheptadecafluorodecanol|1,1,2,2-Tetrahydroperfluoro-1-decanol|1,1,2,2-Tetrahydroperfluorodecan-1-ol|1,1,2,2-Tetrahydroperfluorodecanol|1,1,2,2-Tetrahydroperfluorodecyl alcohol|1H,1H,2H,2H-Heptadecafluoro-1-decanol|1H,1H,2H,2H-Perfluorodecan-1-ol|1H,1H,2H,2H-Perfluorodecanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-decanol|2-(Heptadecafluorooctyl)ethanol|2-(Perfluorooctyl)ethanol|2-(Perfluorooctyl)ethyl alcohol|2-Perfluorooctyl ethanol (8:2)|2-perfluorooctylethanol|211-648-0|3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecan-1-ol|8-2 Telomer B alcohol|8:2 fluorotelomer alcohol|8:2 FTOH|A 1820|beta-(Heptadecafluorooctyl)ethanol|C 1820|Daikin A 1820|EC No.: 211-648-0|EINECS 211-648-0|Fluorotelomer alcohol 8:2|Fluowet EA 800|FOET|FtOH 8:2|PFA 8|UNII-UM7L66OFE1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029904 https://doi.org/10.22427/NTP-DATA-DTXSID7029904
ERPathway2016 ERPathway2016_367 Fluorotelomer alcohol 8:2 678-39-7 DTXSID7029904 ER Pathway Model, Antagonist Call Active Unitless OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Fluorotelomer alcohol 8:2 678-39-7|Fluorotelomer alcohol 8:2|(Perfluorooctyl)ethanol|1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8, 9,9,10,10,10-heptadecafluoro-|1- Decanol, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 10- heptadecafluoro-|1,1,2,2-Tetrahydroheptadecafluorodecanol|1,1,2,2-Tetrahydroperfluoro-1-decanol|1,1,2,2-Tetrahydroperfluorodecan-1-ol|1,1,2,2-Tetrahydroperfluorodecanol|1,1,2,2-Tetrahydroperfluorodecyl alcohol|1H,1H,2H,2H-Heptadecafluoro-1-decanol|1H,1H,2H,2H-Perfluorodecan-1-ol|1H,1H,2H,2H-Perfluorodecanol|1H,1H,2H,2H-Tetrahydroperfluoro-1-decanol|2-(Heptadecafluorooctyl)ethanol|2-(Perfluorooctyl)ethanol|2-(Perfluorooctyl)ethyl alcohol|2-Perfluorooctyl ethanol (8:2)|2-perfluorooctylethanol|211-648-0|3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecan-1-ol|8-2 Telomer B alcohol|8:2 fluorotelomer alcohol|8:2 FTOH|A 1820|beta-(Heptadecafluorooctyl)ethanol|C 1820|Daikin A 1820|EC No.: 211-648-0|EINECS 211-648-0|Fluorotelomer alcohol 8:2|Fluowet EA 800|FOET|FtOH 8:2|PFA 8|UNII-UM7L66OFE1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029904 https://doi.org/10.22427/NTP-DATA-DTXSID7029904
ARPathway2016 ARPathway2016_165 Fluoxastrobin 361377-29-9 DTXSID2034625 FLAG: Wrong direction shift (Hit/Hit) 0.0 R7 AR Pathway Model, Agonist AC50 8.48950352200001 uM CON=C(C1=NOCCO1)C1=C(OC2=NC=NC(OC3=CC=CC=C3Cl)=C2F)C=CC=C1 Fluoxastrobin 361377-29-9|Fluoxastrobin|(1E)-(2-((6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl)oxy)phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methanone O-methyloxime|(E)-1-(2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine|609-207-6|Disarm|Disarm 480SC|EC No.: 609-207-6|Evito|Evito 480SC|Fluoxastrobin ST|fluoxastrobine|HEC 5725|Methanone,[2-[[6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-1,4,2-dioxazin-3-yl)-, O-methyloxime, (1E)-|N-[(E)-(2-{[6-(2-Chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy}phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methylene]-O-methylhydroxylamine|UNII-XQ43WY091Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034625
ARPathway2016 ARPathway2016_165 Fluoxastrobin 361377-29-9 DTXSID2034625 FLAG: Wrong direction shift (Hit/Hit) 0.0 R7 AR Pathway Model, Agonist ACC 5.447957641 uM CON=C(C1=NOCCO1)C1=C(OC2=NC=NC(OC3=CC=CC=C3Cl)=C2F)C=CC=C1 Fluoxastrobin 361377-29-9|Fluoxastrobin|(1E)-(2-((6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl)oxy)phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methanone O-methyloxime|(E)-1-(2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine|609-207-6|Disarm|Disarm 480SC|EC No.: 609-207-6|Evito|Evito 480SC|Fluoxastrobin ST|fluoxastrobine|HEC 5725|Methanone,[2-[[6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-1,4,2-dioxazin-3-yl)-, O-methyloxime, (1E)-|N-[(E)-(2-{[6-(2-Chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy}phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methylene]-O-methylhydroxylamine|UNII-XQ43WY091Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034625
ARPathway2016 ARPathway2016_165 Fluoxastrobin 361377-29-9 DTXSID2034625 FLAG: Wrong direction shift (Hit/Hit) 0.0 R7 AR Pathway Model, Antagonist Model Score 0.0386 Unitless CON=C(C1=NOCCO1)C1=C(OC2=NC=NC(OC3=CC=CC=C3Cl)=C2F)C=CC=C1 Fluoxastrobin 361377-29-9|Fluoxastrobin|(1E)-(2-((6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl)oxy)phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methanone O-methyloxime|(E)-1-(2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine|609-207-6|Disarm|Disarm 480SC|EC No.: 609-207-6|Evito|Evito 480SC|Fluoxastrobin ST|fluoxastrobine|HEC 5725|Methanone,[2-[[6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-1,4,2-dioxazin-3-yl)-, O-methyloxime, (1E)-|N-[(E)-(2-{[6-(2-Chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy}phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methylene]-O-methylhydroxylamine|UNII-XQ43WY091Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034625
ARPathway2016 ARPathway2016_165 Fluoxastrobin 361377-29-9 DTXSID2034625 FLAG: Wrong direction shift (Hit/Hit) 0.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CON=C(C1=NOCCO1)C1=C(OC2=NC=NC(OC3=CC=CC=C3Cl)=C2F)C=CC=C1 Fluoxastrobin 361377-29-9|Fluoxastrobin|(1E)-(2-((6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl)oxy)phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methanone O-methyloxime|(E)-1-(2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine|609-207-6|Disarm|Disarm 480SC|EC No.: 609-207-6|Evito|Evito 480SC|Fluoxastrobin ST|fluoxastrobine|HEC 5725|Methanone,[2-[[6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-1,4,2-dioxazin-3-yl)-, O-methyloxime, (1E)-|N-[(E)-(2-{[6-(2-Chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy}phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methylene]-O-methylhydroxylamine|UNII-XQ43WY091Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034625
ARPathway2016 ARPathway2016_165 Fluoxastrobin 361377-29-9 DTXSID2034625 FLAG: Wrong direction shift (Hit/Hit) 0.0 R7 AR Pathway Model, Agonist Call Active Unitless CON=C(C1=NOCCO1)C1=C(OC2=NC=NC(OC3=CC=CC=C3Cl)=C2F)C=CC=C1 Fluoxastrobin 361377-29-9|Fluoxastrobin|(1E)-(2-((6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl)oxy)phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methanone O-methyloxime|(E)-1-(2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine|609-207-6|Disarm|Disarm 480SC|EC No.: 609-207-6|Evito|Evito 480SC|Fluoxastrobin ST|fluoxastrobine|HEC 5725|Methanone,[2-[[6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-1,4,2-dioxazin-3-yl)-, O-methyloxime, (1E)-|N-[(E)-(2-{[6-(2-Chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy}phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methylene]-O-methylhydroxylamine|UNII-XQ43WY091Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034625
ARPathway2016 ARPathway2016_165 Fluoxastrobin 361377-29-9 DTXSID2034625 FLAG: Wrong direction shift (Hit/Hit) 0.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CON=C(C1=NOCCO1)C1=C(OC2=NC=NC(OC3=CC=CC=C3Cl)=C2F)C=CC=C1 Fluoxastrobin 361377-29-9|Fluoxastrobin|(1E)-(2-((6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl)oxy)phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methanone O-methyloxime|(E)-1-(2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine|609-207-6|Disarm|Disarm 480SC|EC No.: 609-207-6|Evito|Evito 480SC|Fluoxastrobin ST|fluoxastrobine|HEC 5725|Methanone,[2-[[6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-1,4,2-dioxazin-3-yl)-, O-methyloxime, (1E)-|N-[(E)-(2-{[6-(2-Chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy}phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methylene]-O-methylhydroxylamine|UNII-XQ43WY091Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034625
ERPathway2016 ERPathway2016_571 Fluoxastrobin 361377-29-9 DTXSID2034625 A18 ER Pathway Model, Agonist Model Score 0 Unitless CON=C(C1=NOCCO1)C1=C(OC2=NC=NC(OC3=CC=CC=C3Cl)=C2F)C=CC=C1 Fluoxastrobin 361377-29-9|Fluoxastrobin|(1E)-(2-((6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl)oxy)phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methanone O-methyloxime|(E)-1-(2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine|609-207-6|Disarm|Disarm 480SC|EC No.: 609-207-6|Evito|Evito 480SC|Fluoxastrobin ST|fluoxastrobine|HEC 5725|Methanone,[2-[[6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-1,4,2-dioxazin-3-yl)-, O-methyloxime, (1E)-|N-[(E)-(2-{[6-(2-Chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy}phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methylene]-O-methylhydroxylamine|UNII-XQ43WY091Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034625
ERPathway2016 ERPathway2016_571 Fluoxastrobin 361377-29-9 DTXSID2034625 A18 ER Pathway Model, Antagonist Model Score 0 Unitless CON=C(C1=NOCCO1)C1=C(OC2=NC=NC(OC3=CC=CC=C3Cl)=C2F)C=CC=C1 Fluoxastrobin 361377-29-9|Fluoxastrobin|(1E)-(2-((6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl)oxy)phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methanone O-methyloxime|(E)-1-(2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine|609-207-6|Disarm|Disarm 480SC|EC No.: 609-207-6|Evito|Evito 480SC|Fluoxastrobin ST|fluoxastrobine|HEC 5725|Methanone,[2-[[6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-1,4,2-dioxazin-3-yl)-, O-methyloxime, (1E)-|N-[(E)-(2-{[6-(2-Chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy}phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methylene]-O-methylhydroxylamine|UNII-XQ43WY091Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034625
ERPathway2016 ERPathway2016_571 Fluoxastrobin 361377-29-9 DTXSID2034625 A18 ER Pathway Model, Agonist Call Inactive Unitless CON=C(C1=NOCCO1)C1=C(OC2=NC=NC(OC3=CC=CC=C3Cl)=C2F)C=CC=C1 Fluoxastrobin 361377-29-9|Fluoxastrobin|(1E)-(2-((6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl)oxy)phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methanone O-methyloxime|(E)-1-(2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine|609-207-6|Disarm|Disarm 480SC|EC No.: 609-207-6|Evito|Evito 480SC|Fluoxastrobin ST|fluoxastrobine|HEC 5725|Methanone,[2-[[6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-1,4,2-dioxazin-3-yl)-, O-methyloxime, (1E)-|N-[(E)-(2-{[6-(2-Chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy}phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methylene]-O-methylhydroxylamine|UNII-XQ43WY091Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034625
ERPathway2016 ERPathway2016_571 Fluoxastrobin 361377-29-9 DTXSID2034625 A18 ER Pathway Model, Antagonist Call Inactive Unitless CON=C(C1=NOCCO1)C1=C(OC2=NC=NC(OC3=CC=CC=C3Cl)=C2F)C=CC=C1 Fluoxastrobin 361377-29-9|Fluoxastrobin|(1E)-(2-((6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl)oxy)phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methanone O-methyloxime|(E)-1-(2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine|609-207-6|Disarm|Disarm 480SC|EC No.: 609-207-6|Evito|Evito 480SC|Fluoxastrobin ST|fluoxastrobine|HEC 5725|Methanone,[2-[[6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-1,4,2-dioxazin-3-yl)-, O-methyloxime, (1E)-|N-[(E)-(2-{[6-(2-Chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy}phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methylene]-O-methylhydroxylamine|UNII-XQ43WY091Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034625
ARPathway2016 ARPathway2016_1495 Fluroxypyr 69377-81-7 DTXSID2034627 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=C(Cl)C(F)=NC(OCC(O)=O)=C1Cl Fluroxypyr 69377-81-7|Fluroxypyr|((4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)acetic acid|2-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid|4-Amino-3,5-dichloro-6-fluoro-2-pyridyloxyacetic acid|Acetic acid, [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-|Acetic acid, 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-|Advance|EINECS Annex I Index 607-255-00-2|UNII-8O40SHO197 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034627
ARPathway2016 ARPathway2016_1495 Fluroxypyr 69377-81-7 DTXSID2034627 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=C(Cl)C(F)=NC(OCC(O)=O)=C1Cl Fluroxypyr 69377-81-7|Fluroxypyr|((4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)acetic acid|2-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid|4-Amino-3,5-dichloro-6-fluoro-2-pyridyloxyacetic acid|Acetic acid, [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-|Acetic acid, 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-|Advance|EINECS Annex I Index 607-255-00-2|UNII-8O40SHO197 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034627
ARPathway2016 ARPathway2016_1495 Fluroxypyr 69377-81-7 DTXSID2034627 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=C(Cl)C(F)=NC(OCC(O)=O)=C1Cl Fluroxypyr 69377-81-7|Fluroxypyr|((4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)acetic acid|2-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid|4-Amino-3,5-dichloro-6-fluoro-2-pyridyloxyacetic acid|Acetic acid, [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-|Acetic acid, 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-|Advance|EINECS Annex I Index 607-255-00-2|UNII-8O40SHO197 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034627
ARPathway2016 ARPathway2016_1495 Fluroxypyr 69377-81-7 DTXSID2034627 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=C(Cl)C(F)=NC(OCC(O)=O)=C1Cl Fluroxypyr 69377-81-7|Fluroxypyr|((4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)acetic acid|2-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid|4-Amino-3,5-dichloro-6-fluoro-2-pyridyloxyacetic acid|Acetic acid, [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-|Acetic acid, 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-|Advance|EINECS Annex I Index 607-255-00-2|UNII-8O40SHO197 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034627
ERPathway2016 ERPathway2016_1618 Fluroxypyr 69377-81-7 DTXSID2034627 ER Pathway Model, Agonist Model Score 0 Unitless NC1=C(Cl)C(F)=NC(OCC(O)=O)=C1Cl Fluroxypyr 69377-81-7|Fluroxypyr|((4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)acetic acid|2-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid|4-Amino-3,5-dichloro-6-fluoro-2-pyridyloxyacetic acid|Acetic acid, [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-|Acetic acid, 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-|Advance|EINECS Annex I Index 607-255-00-2|UNII-8O40SHO197 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034627
ERPathway2016 ERPathway2016_1618 Fluroxypyr 69377-81-7 DTXSID2034627 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=C(Cl)C(F)=NC(OCC(O)=O)=C1Cl Fluroxypyr 69377-81-7|Fluroxypyr|((4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)acetic acid|2-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid|4-Amino-3,5-dichloro-6-fluoro-2-pyridyloxyacetic acid|Acetic acid, [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-|Acetic acid, 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-|Advance|EINECS Annex I Index 607-255-00-2|UNII-8O40SHO197 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034627
ERPathway2016 ERPathway2016_1618 Fluroxypyr 69377-81-7 DTXSID2034627 ER Pathway Model, Agonist Call Inactive Unitless NC1=C(Cl)C(F)=NC(OCC(O)=O)=C1Cl Fluroxypyr 69377-81-7|Fluroxypyr|((4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)acetic acid|2-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid|4-Amino-3,5-dichloro-6-fluoro-2-pyridyloxyacetic acid|Acetic acid, [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-|Acetic acid, 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-|Advance|EINECS Annex I Index 607-255-00-2|UNII-8O40SHO197 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034627
ERPathway2016 ERPathway2016_1618 Fluroxypyr 69377-81-7 DTXSID2034627 ER Pathway Model, Antagonist Call Inactive Unitless NC1=C(Cl)C(F)=NC(OCC(O)=O)=C1Cl Fluroxypyr 69377-81-7|Fluroxypyr|((4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)acetic acid|2-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid|4-Amino-3,5-dichloro-6-fluoro-2-pyridyloxyacetic acid|Acetic acid, [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-|Acetic acid, 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-|Advance|EINECS Annex I Index 607-255-00-2|UNII-8O40SHO197 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034627
ARPathway2016 ARPathway2016_1615 Fluroxypyr-meptyl 81406-37-3 DTXSID5034303 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC(C)OC(=O)COC1=NC(F)=C(Cl)C(N)=C1Cl Fluroxypyr-meptyl 81406-37-3|Fluroxypyr-meptyl|Acetic acid, ((4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)-, 1-methylheptyl ester|EINECS 279-752-9|Fluroxypyr 1-methylheptyl ester|Fluroxypyr meptyl|Fluroxypyr-(1-methylheptyl)|Formulation 27 (Fluroxypyr-meptyl)|Starane 250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034303
ARPathway2016 ARPathway2016_1615 Fluroxypyr-meptyl 81406-37-3 DTXSID5034303 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCC(C)OC(=O)COC1=NC(F)=C(Cl)C(N)=C1Cl Fluroxypyr-meptyl 81406-37-3|Fluroxypyr-meptyl|Acetic acid, ((4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)-, 1-methylheptyl ester|EINECS 279-752-9|Fluroxypyr 1-methylheptyl ester|Fluroxypyr meptyl|Fluroxypyr-(1-methylheptyl)|Formulation 27 (Fluroxypyr-meptyl)|Starane 250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034303
ARPathway2016 ARPathway2016_1615 Fluroxypyr-meptyl 81406-37-3 DTXSID5034303 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCC(C)OC(=O)COC1=NC(F)=C(Cl)C(N)=C1Cl Fluroxypyr-meptyl 81406-37-3|Fluroxypyr-meptyl|Acetic acid, ((4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)-, 1-methylheptyl ester|EINECS 279-752-9|Fluroxypyr 1-methylheptyl ester|Fluroxypyr meptyl|Fluroxypyr-(1-methylheptyl)|Formulation 27 (Fluroxypyr-meptyl)|Starane 250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034303
ARPathway2016 ARPathway2016_1615 Fluroxypyr-meptyl 81406-37-3 DTXSID5034303 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCC(C)OC(=O)COC1=NC(F)=C(Cl)C(N)=C1Cl Fluroxypyr-meptyl 81406-37-3|Fluroxypyr-meptyl|Acetic acid, ((4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)-, 1-methylheptyl ester|EINECS 279-752-9|Fluroxypyr 1-methylheptyl ester|Fluroxypyr meptyl|Fluroxypyr-(1-methylheptyl)|Formulation 27 (Fluroxypyr-meptyl)|Starane 250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034303
ERPathway2016 ERPathway2016_400 Fluroxypyr-meptyl 81406-37-3 DTXSID5034303 A15 ER Pathway Model, Antagonist AC50 22.7514488906195 uM CCCCCCC(C)OC(=O)COC1=NC(F)=C(Cl)C(N)=C1Cl Fluroxypyr-meptyl 81406-37-3|Fluroxypyr-meptyl|Acetic acid, ((4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)-, 1-methylheptyl ester|EINECS 279-752-9|Fluroxypyr 1-methylheptyl ester|Fluroxypyr meptyl|Fluroxypyr-(1-methylheptyl)|Formulation 27 (Fluroxypyr-meptyl)|Starane 250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034303
ERPathway2016 ERPathway2016_400 Fluroxypyr-meptyl 81406-37-3 DTXSID5034303 A15 ER Pathway Model, Antagonist ACC 29.8230619221816 uM CCCCCCC(C)OC(=O)COC1=NC(F)=C(Cl)C(N)=C1Cl Fluroxypyr-meptyl 81406-37-3|Fluroxypyr-meptyl|Acetic acid, ((4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)-, 1-methylheptyl ester|EINECS 279-752-9|Fluroxypyr 1-methylheptyl ester|Fluroxypyr meptyl|Fluroxypyr-(1-methylheptyl)|Formulation 27 (Fluroxypyr-meptyl)|Starane 250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034303
ERPathway2016 ERPathway2016_400 Fluroxypyr-meptyl 81406-37-3 DTXSID5034303 A15 ER Pathway Model, Agonist Model Score 0.00936 Unitless CCCCCCC(C)OC(=O)COC1=NC(F)=C(Cl)C(N)=C1Cl Fluroxypyr-meptyl 81406-37-3|Fluroxypyr-meptyl|Acetic acid, ((4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)-, 1-methylheptyl ester|EINECS 279-752-9|Fluroxypyr 1-methylheptyl ester|Fluroxypyr meptyl|Fluroxypyr-(1-methylheptyl)|Formulation 27 (Fluroxypyr-meptyl)|Starane 250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034303
ERPathway2016 ERPathway2016_400 Fluroxypyr-meptyl 81406-37-3 DTXSID5034303 A15 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC(C)OC(=O)COC1=NC(F)=C(Cl)C(N)=C1Cl Fluroxypyr-meptyl 81406-37-3|Fluroxypyr-meptyl|Acetic acid, ((4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)-, 1-methylheptyl ester|EINECS 279-752-9|Fluroxypyr 1-methylheptyl ester|Fluroxypyr meptyl|Fluroxypyr-(1-methylheptyl)|Formulation 27 (Fluroxypyr-meptyl)|Starane 250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034303
ERPathway2016 ERPathway2016_400 Fluroxypyr-meptyl 81406-37-3 DTXSID5034303 A15 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCC(C)OC(=O)COC1=NC(F)=C(Cl)C(N)=C1Cl Fluroxypyr-meptyl 81406-37-3|Fluroxypyr-meptyl|Acetic acid, ((4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)-, 1-methylheptyl ester|EINECS 279-752-9|Fluroxypyr 1-methylheptyl ester|Fluroxypyr meptyl|Fluroxypyr-(1-methylheptyl)|Formulation 27 (Fluroxypyr-meptyl)|Starane 250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034303
ERPathway2016 ERPathway2016_400 Fluroxypyr-meptyl 81406-37-3 DTXSID5034303 A15 ER Pathway Model, Antagonist Call Active Unitless CCCCCCC(C)OC(=O)COC1=NC(F)=C(Cl)C(N)=C1Cl Fluroxypyr-meptyl 81406-37-3|Fluroxypyr-meptyl|Acetic acid, ((4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy)-, 1-methylheptyl ester|EINECS 279-752-9|Fluroxypyr 1-methylheptyl ester|Fluroxypyr meptyl|Fluroxypyr-(1-methylheptyl)|Formulation 27 (Fluroxypyr-meptyl)|Starane 250 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034303
ARPathway2016 ARPathway2016_301 Flusilazole 85509-19-9 DTXSID3024235 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 40.56701412 uM C[Si](CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1 Flusilazole 85509-19-9|Flusilazole|1-((Bis(4-fluorophenyl)methylsilyl)methyl)-1H-1,2,4-triazole|1-[[Bis(4-fluorophenyl)methylsilyl]methyl]-1H-1,2,4-triazole|1-{[Bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[bis(4-fluorophenyl)methylsilyl]methyl]-|Benocarp|bis(4-fluorophenyl)(methyl)(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazole-1-ylmethyl)silane|BRN 5824097|Cane Strike|Capitan|Caswell No. 419K|Cursor|di(4-fluorophenyl)(1,2,4-triazole-2-ylmethyl)methylsilane|DPD 78710F|DPX-H 6573|DPX-N 6573|EPA Pesticide Chemical Code 128835|Flusilazol|Fluzilazol|Genie (fungicide)|Genie 25|Lyric|NuStar|Olymp 10EX|Punch (pesticide)|Punch 40EC|Punch Bis|Sanction|UNII-F3WG2VVD87|1135441-07-4|96827-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024235 https://doi.org/10.22427/NTP-DATA-DTXSID3024235
ARPathway2016 ARPathway2016_301 Flusilazole 85509-19-9 DTXSID3024235 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 27.7309830572323 uM C[Si](CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1 Flusilazole 85509-19-9|Flusilazole|1-((Bis(4-fluorophenyl)methylsilyl)methyl)-1H-1,2,4-triazole|1-[[Bis(4-fluorophenyl)methylsilyl]methyl]-1H-1,2,4-triazole|1-{[Bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[bis(4-fluorophenyl)methylsilyl]methyl]-|Benocarp|bis(4-fluorophenyl)(methyl)(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazole-1-ylmethyl)silane|BRN 5824097|Cane Strike|Capitan|Caswell No. 419K|Cursor|di(4-fluorophenyl)(1,2,4-triazole-2-ylmethyl)methylsilane|DPD 78710F|DPX-H 6573|DPX-N 6573|EPA Pesticide Chemical Code 128835|Flusilazol|Fluzilazol|Genie (fungicide)|Genie 25|Lyric|NuStar|Olymp 10EX|Punch (pesticide)|Punch 40EC|Punch Bis|Sanction|UNII-F3WG2VVD87|1135441-07-4|96827-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024235 https://doi.org/10.22427/NTP-DATA-DTXSID3024235
ARPathway2016 ARPathway2016_301 Flusilazole 85509-19-9 DTXSID3024235 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.248 Unitless C[Si](CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1 Flusilazole 85509-19-9|Flusilazole|1-((Bis(4-fluorophenyl)methylsilyl)methyl)-1H-1,2,4-triazole|1-[[Bis(4-fluorophenyl)methylsilyl]methyl]-1H-1,2,4-triazole|1-{[Bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[bis(4-fluorophenyl)methylsilyl]methyl]-|Benocarp|bis(4-fluorophenyl)(methyl)(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazole-1-ylmethyl)silane|BRN 5824097|Cane Strike|Capitan|Caswell No. 419K|Cursor|di(4-fluorophenyl)(1,2,4-triazole-2-ylmethyl)methylsilane|DPD 78710F|DPX-H 6573|DPX-N 6573|EPA Pesticide Chemical Code 128835|Flusilazol|Fluzilazol|Genie (fungicide)|Genie 25|Lyric|NuStar|Olymp 10EX|Punch (pesticide)|Punch 40EC|Punch Bis|Sanction|UNII-F3WG2VVD87|1135441-07-4|96827-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024235 https://doi.org/10.22427/NTP-DATA-DTXSID3024235
ARPathway2016 ARPathway2016_301 Flusilazole 85509-19-9 DTXSID3024235 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless C[Si](CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1 Flusilazole 85509-19-9|Flusilazole|1-((Bis(4-fluorophenyl)methylsilyl)methyl)-1H-1,2,4-triazole|1-[[Bis(4-fluorophenyl)methylsilyl]methyl]-1H-1,2,4-triazole|1-{[Bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[bis(4-fluorophenyl)methylsilyl]methyl]-|Benocarp|bis(4-fluorophenyl)(methyl)(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazole-1-ylmethyl)silane|BRN 5824097|Cane Strike|Capitan|Caswell No. 419K|Cursor|di(4-fluorophenyl)(1,2,4-triazole-2-ylmethyl)methylsilane|DPD 78710F|DPX-H 6573|DPX-N 6573|EPA Pesticide Chemical Code 128835|Flusilazol|Fluzilazol|Genie (fungicide)|Genie 25|Lyric|NuStar|Olymp 10EX|Punch (pesticide)|Punch 40EC|Punch Bis|Sanction|UNII-F3WG2VVD87|1135441-07-4|96827-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024235 https://doi.org/10.22427/NTP-DATA-DTXSID3024235
ARPathway2016 ARPathway2016_301 Flusilazole 85509-19-9 DTXSID3024235 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless C[Si](CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1 Flusilazole 85509-19-9|Flusilazole|1-((Bis(4-fluorophenyl)methylsilyl)methyl)-1H-1,2,4-triazole|1-[[Bis(4-fluorophenyl)methylsilyl]methyl]-1H-1,2,4-triazole|1-{[Bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[bis(4-fluorophenyl)methylsilyl]methyl]-|Benocarp|bis(4-fluorophenyl)(methyl)(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazole-1-ylmethyl)silane|BRN 5824097|Cane Strike|Capitan|Caswell No. 419K|Cursor|di(4-fluorophenyl)(1,2,4-triazole-2-ylmethyl)methylsilane|DPD 78710F|DPX-H 6573|DPX-N 6573|EPA Pesticide Chemical Code 128835|Flusilazol|Fluzilazol|Genie (fungicide)|Genie 25|Lyric|NuStar|Olymp 10EX|Punch (pesticide)|Punch 40EC|Punch Bis|Sanction|UNII-F3WG2VVD87|1135441-07-4|96827-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024235 https://doi.org/10.22427/NTP-DATA-DTXSID3024235
ARPathway2016 ARPathway2016_301 Flusilazole 85509-19-9 DTXSID3024235 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless C[Si](CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1 Flusilazole 85509-19-9|Flusilazole|1-((Bis(4-fluorophenyl)methylsilyl)methyl)-1H-1,2,4-triazole|1-[[Bis(4-fluorophenyl)methylsilyl]methyl]-1H-1,2,4-triazole|1-{[Bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[bis(4-fluorophenyl)methylsilyl]methyl]-|Benocarp|bis(4-fluorophenyl)(methyl)(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazole-1-ylmethyl)silane|BRN 5824097|Cane Strike|Capitan|Caswell No. 419K|Cursor|di(4-fluorophenyl)(1,2,4-triazole-2-ylmethyl)methylsilane|DPD 78710F|DPX-H 6573|DPX-N 6573|EPA Pesticide Chemical Code 128835|Flusilazol|Fluzilazol|Genie (fungicide)|Genie 25|Lyric|NuStar|Olymp 10EX|Punch (pesticide)|Punch 40EC|Punch Bis|Sanction|UNII-F3WG2VVD87|1135441-07-4|96827-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024235 https://doi.org/10.22427/NTP-DATA-DTXSID3024235
ERPathway2016 ERPathway2016_591 Flusilazole 85509-19-9 DTXSID3024235 ER Pathway Model, Agonist Model Score 0 Unitless C[Si](CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1 Flusilazole 85509-19-9|Flusilazole|1-((Bis(4-fluorophenyl)methylsilyl)methyl)-1H-1,2,4-triazole|1-[[Bis(4-fluorophenyl)methylsilyl]methyl]-1H-1,2,4-triazole|1-{[Bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[bis(4-fluorophenyl)methylsilyl]methyl]-|Benocarp|bis(4-fluorophenyl)(methyl)(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazole-1-ylmethyl)silane|BRN 5824097|Cane Strike|Capitan|Caswell No. 419K|Cursor|di(4-fluorophenyl)(1,2,4-triazole-2-ylmethyl)methylsilane|DPD 78710F|DPX-H 6573|DPX-N 6573|EPA Pesticide Chemical Code 128835|Flusilazol|Fluzilazol|Genie (fungicide)|Genie 25|Lyric|NuStar|Olymp 10EX|Punch (pesticide)|Punch 40EC|Punch Bis|Sanction|UNII-F3WG2VVD87|1135441-07-4|96827-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024235 https://doi.org/10.22427/NTP-DATA-DTXSID3024235
ERPathway2016 ERPathway2016_591 Flusilazole 85509-19-9 DTXSID3024235 ER Pathway Model, Antagonist Model Score 0 Unitless C[Si](CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1 Flusilazole 85509-19-9|Flusilazole|1-((Bis(4-fluorophenyl)methylsilyl)methyl)-1H-1,2,4-triazole|1-[[Bis(4-fluorophenyl)methylsilyl]methyl]-1H-1,2,4-triazole|1-{[Bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[bis(4-fluorophenyl)methylsilyl]methyl]-|Benocarp|bis(4-fluorophenyl)(methyl)(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazole-1-ylmethyl)silane|BRN 5824097|Cane Strike|Capitan|Caswell No. 419K|Cursor|di(4-fluorophenyl)(1,2,4-triazole-2-ylmethyl)methylsilane|DPD 78710F|DPX-H 6573|DPX-N 6573|EPA Pesticide Chemical Code 128835|Flusilazol|Fluzilazol|Genie (fungicide)|Genie 25|Lyric|NuStar|Olymp 10EX|Punch (pesticide)|Punch 40EC|Punch Bis|Sanction|UNII-F3WG2VVD87|1135441-07-4|96827-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024235 https://doi.org/10.22427/NTP-DATA-DTXSID3024235
ERPathway2016 ERPathway2016_591 Flusilazole 85509-19-9 DTXSID3024235 ER Pathway Model, Agonist Call Inactive Unitless C[Si](CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1 Flusilazole 85509-19-9|Flusilazole|1-((Bis(4-fluorophenyl)methylsilyl)methyl)-1H-1,2,4-triazole|1-[[Bis(4-fluorophenyl)methylsilyl]methyl]-1H-1,2,4-triazole|1-{[Bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[bis(4-fluorophenyl)methylsilyl]methyl]-|Benocarp|bis(4-fluorophenyl)(methyl)(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazole-1-ylmethyl)silane|BRN 5824097|Cane Strike|Capitan|Caswell No. 419K|Cursor|di(4-fluorophenyl)(1,2,4-triazole-2-ylmethyl)methylsilane|DPD 78710F|DPX-H 6573|DPX-N 6573|EPA Pesticide Chemical Code 128835|Flusilazol|Fluzilazol|Genie (fungicide)|Genie 25|Lyric|NuStar|Olymp 10EX|Punch (pesticide)|Punch 40EC|Punch Bis|Sanction|UNII-F3WG2VVD87|1135441-07-4|96827-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024235 https://doi.org/10.22427/NTP-DATA-DTXSID3024235
ERPathway2016 ERPathway2016_591 Flusilazole 85509-19-9 DTXSID3024235 ER Pathway Model, Antagonist Call Inactive Unitless C[Si](CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1 Flusilazole 85509-19-9|Flusilazole|1-((Bis(4-fluorophenyl)methylsilyl)methyl)-1H-1,2,4-triazole|1-[[Bis(4-fluorophenyl)methylsilyl]methyl]-1H-1,2,4-triazole|1-{[Bis(4-fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[bis(4-fluorophenyl)methylsilyl]methyl]-|Benocarp|bis(4-fluorophenyl)(methyl)(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazol-1-ylmethyl)silane|Bis(4-fluorophenyl)methyl(1H-1,2,4-triazole-1-ylmethyl)silane|BRN 5824097|Cane Strike|Capitan|Caswell No. 419K|Cursor|di(4-fluorophenyl)(1,2,4-triazole-2-ylmethyl)methylsilane|DPD 78710F|DPX-H 6573|DPX-N 6573|EPA Pesticide Chemical Code 128835|Flusilazol|Fluzilazol|Genie (fungicide)|Genie 25|Lyric|NuStar|Olymp 10EX|Punch (pesticide)|Punch 40EC|Punch Bis|Sanction|UNII-F3WG2VVD87|1135441-07-4|96827-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024235 https://doi.org/10.22427/NTP-DATA-DTXSID3024235
ARPathway2016 ARPathway2016_60 Flutamide 13311-84-7 DTXSID7032004 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 15.6237765934997 uM CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Flutamide 13311-84-7|Flutamide|4-Nitro-3-(trifluoromethyl)isobutyranilide|4'-Nitro-3'-trifluoromethylisobutyranilide|alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-m-propionotoluidide|BRN 2157663|Cebatrol, veterinary|EINECS 236-341-9|Eulexin|Flucinom|Flutamid|flutamida|Flutamidum|Ham's F-12 medium|m-Propionotoluidide, 2-methyl-4'-nitro-alpha,alpha,alpha-triflouro-|m-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro- (8CI)|N-(Isopropylcarbonyl)-4-nitro-3-trifluoromethylaniline|Niftholide|niftolid|Niftolide|NSC 147834|NSC 215876|Propanamide, 2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-|Propanamide, 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|UNII-76W6J0943E|37209-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032004
ARPathway2016 ARPathway2016_60 Flutamide 13311-84-7 DTXSID7032004 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 5.67586312459965 uM CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Flutamide 13311-84-7|Flutamide|4-Nitro-3-(trifluoromethyl)isobutyranilide|4'-Nitro-3'-trifluoromethylisobutyranilide|alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-m-propionotoluidide|BRN 2157663|Cebatrol, veterinary|EINECS 236-341-9|Eulexin|Flucinom|Flutamid|flutamida|Flutamidum|Ham's F-12 medium|m-Propionotoluidide, 2-methyl-4'-nitro-alpha,alpha,alpha-triflouro-|m-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro- (8CI)|N-(Isopropylcarbonyl)-4-nitro-3-trifluoromethylaniline|Niftholide|niftolid|Niftolide|NSC 147834|NSC 215876|Propanamide, 2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-|Propanamide, 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|UNII-76W6J0943E|37209-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032004
ARPathway2016 ARPathway2016_60 Flutamide 13311-84-7 DTXSID7032004 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.547 Unitless CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Flutamide 13311-84-7|Flutamide|4-Nitro-3-(trifluoromethyl)isobutyranilide|4'-Nitro-3'-trifluoromethylisobutyranilide|alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-m-propionotoluidide|BRN 2157663|Cebatrol, veterinary|EINECS 236-341-9|Eulexin|Flucinom|Flutamid|flutamida|Flutamidum|Ham's F-12 medium|m-Propionotoluidide, 2-methyl-4'-nitro-alpha,alpha,alpha-triflouro-|m-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro- (8CI)|N-(Isopropylcarbonyl)-4-nitro-3-trifluoromethylaniline|Niftholide|niftolid|Niftolide|NSC 147834|NSC 215876|Propanamide, 2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-|Propanamide, 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|UNII-76W6J0943E|37209-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032004
ARPathway2016 ARPathway2016_60 Flutamide 13311-84-7 DTXSID7032004 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Flutamide 13311-84-7|Flutamide|4-Nitro-3-(trifluoromethyl)isobutyranilide|4'-Nitro-3'-trifluoromethylisobutyranilide|alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-m-propionotoluidide|BRN 2157663|Cebatrol, veterinary|EINECS 236-341-9|Eulexin|Flucinom|Flutamid|flutamida|Flutamidum|Ham's F-12 medium|m-Propionotoluidide, 2-methyl-4'-nitro-alpha,alpha,alpha-triflouro-|m-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro- (8CI)|N-(Isopropylcarbonyl)-4-nitro-3-trifluoromethylaniline|Niftholide|niftolid|Niftolide|NSC 147834|NSC 215876|Propanamide, 2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-|Propanamide, 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|UNII-76W6J0943E|37209-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032004
ARPathway2016 ARPathway2016_60 Flutamide 13311-84-7 DTXSID7032004 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Flutamide 13311-84-7|Flutamide|4-Nitro-3-(trifluoromethyl)isobutyranilide|4'-Nitro-3'-trifluoromethylisobutyranilide|alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-m-propionotoluidide|BRN 2157663|Cebatrol, veterinary|EINECS 236-341-9|Eulexin|Flucinom|Flutamid|flutamida|Flutamidum|Ham's F-12 medium|m-Propionotoluidide, 2-methyl-4'-nitro-alpha,alpha,alpha-triflouro-|m-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro- (8CI)|N-(Isopropylcarbonyl)-4-nitro-3-trifluoromethylaniline|Niftholide|niftolid|Niftolide|NSC 147834|NSC 215876|Propanamide, 2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-|Propanamide, 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|UNII-76W6J0943E|37209-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032004
ARPathway2016 ARPathway2016_60 Flutamide 13311-84-7 DTXSID7032004 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Flutamide 13311-84-7|Flutamide|4-Nitro-3-(trifluoromethyl)isobutyranilide|4'-Nitro-3'-trifluoromethylisobutyranilide|alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-m-propionotoluidide|BRN 2157663|Cebatrol, veterinary|EINECS 236-341-9|Eulexin|Flucinom|Flutamid|flutamida|Flutamidum|Ham's F-12 medium|m-Propionotoluidide, 2-methyl-4'-nitro-alpha,alpha,alpha-triflouro-|m-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro- (8CI)|N-(Isopropylcarbonyl)-4-nitro-3-trifluoromethylaniline|Niftholide|niftolid|Niftolide|NSC 147834|NSC 215876|Propanamide, 2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-|Propanamide, 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|UNII-76W6J0943E|37209-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032004
ERPathway2016 ERPathway2016_633 Flutamide 13311-84-7 DTXSID7032004 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Flutamide 13311-84-7|Flutamide|4-Nitro-3-(trifluoromethyl)isobutyranilide|4'-Nitro-3'-trifluoromethylisobutyranilide|alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-m-propionotoluidide|BRN 2157663|Cebatrol, veterinary|EINECS 236-341-9|Eulexin|Flucinom|Flutamid|flutamida|Flutamidum|Ham's F-12 medium|m-Propionotoluidide, 2-methyl-4'-nitro-alpha,alpha,alpha-triflouro-|m-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro- (8CI)|N-(Isopropylcarbonyl)-4-nitro-3-trifluoromethylaniline|Niftholide|niftolid|Niftolide|NSC 147834|NSC 215876|Propanamide, 2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-|Propanamide, 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|UNII-76W6J0943E|37209-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032004
ERPathway2016 ERPathway2016_633 Flutamide 13311-84-7 DTXSID7032004 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Flutamide 13311-84-7|Flutamide|4-Nitro-3-(trifluoromethyl)isobutyranilide|4'-Nitro-3'-trifluoromethylisobutyranilide|alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-m-propionotoluidide|BRN 2157663|Cebatrol, veterinary|EINECS 236-341-9|Eulexin|Flucinom|Flutamid|flutamida|Flutamidum|Ham's F-12 medium|m-Propionotoluidide, 2-methyl-4'-nitro-alpha,alpha,alpha-triflouro-|m-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro- (8CI)|N-(Isopropylcarbonyl)-4-nitro-3-trifluoromethylaniline|Niftholide|niftolid|Niftolide|NSC 147834|NSC 215876|Propanamide, 2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-|Propanamide, 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|UNII-76W6J0943E|37209-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032004
ERPathway2016 ERPathway2016_633 Flutamide 13311-84-7 DTXSID7032004 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Flutamide 13311-84-7|Flutamide|4-Nitro-3-(trifluoromethyl)isobutyranilide|4'-Nitro-3'-trifluoromethylisobutyranilide|alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-m-propionotoluidide|BRN 2157663|Cebatrol, veterinary|EINECS 236-341-9|Eulexin|Flucinom|Flutamid|flutamida|Flutamidum|Ham's F-12 medium|m-Propionotoluidide, 2-methyl-4'-nitro-alpha,alpha,alpha-triflouro-|m-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro- (8CI)|N-(Isopropylcarbonyl)-4-nitro-3-trifluoromethylaniline|Niftholide|niftolid|Niftolide|NSC 147834|NSC 215876|Propanamide, 2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-|Propanamide, 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|UNII-76W6J0943E|37209-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032004
ERPathway2016 ERPathway2016_633 Flutamide 13311-84-7 DTXSID7032004 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Flutamide 13311-84-7|Flutamide|4-Nitro-3-(trifluoromethyl)isobutyranilide|4'-Nitro-3'-trifluoromethylisobutyranilide|alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-m-propionotoluidide|BRN 2157663|Cebatrol, veterinary|EINECS 236-341-9|Eulexin|Flucinom|Flutamid|flutamida|Flutamidum|Ham's F-12 medium|m-Propionotoluidide, 2-methyl-4'-nitro-alpha,alpha,alpha-triflouro-|m-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro- (8CI)|N-(Isopropylcarbonyl)-4-nitro-3-trifluoromethylaniline|Niftholide|niftolid|Niftolide|NSC 147834|NSC 215876|Propanamide, 2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-|Propanamide, 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|UNII-76W6J0943E|37209-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032004
ARPathway2016 ARPathway2016_636 Fluthiacet-methyl 117337-19-6 DTXSID2032556 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)CSC1=C(Cl)C=C(F)C(=C1)N=C1SC(=O)N2CCCCN12 Fluthiacet-methyl 117337-19-6|Fluthiacet-methyl|1H,3H-[1,3,4]Thiadiazolo[3,4-a]pyridazine, acetic acid deriv.|Acetic acid, [[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester|Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester|Action|Appeal|Blizzard|Cadet|CGA 248757|Fluthiacet methyl|KIH 9201|Methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetamide|UNII-7C989JK2XB|177602-28-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032556
ARPathway2016 ARPathway2016_636 Fluthiacet-methyl 117337-19-6 DTXSID2032556 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)CSC1=C(Cl)C=C(F)C(=C1)N=C1SC(=O)N2CCCCN12 Fluthiacet-methyl 117337-19-6|Fluthiacet-methyl|1H,3H-[1,3,4]Thiadiazolo[3,4-a]pyridazine, acetic acid deriv.|Acetic acid, [[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester|Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester|Action|Appeal|Blizzard|Cadet|CGA 248757|Fluthiacet methyl|KIH 9201|Methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetamide|UNII-7C989JK2XB|177602-28-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032556
ARPathway2016 ARPathway2016_636 Fluthiacet-methyl 117337-19-6 DTXSID2032556 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)CSC1=C(Cl)C=C(F)C(=C1)N=C1SC(=O)N2CCCCN12 Fluthiacet-methyl 117337-19-6|Fluthiacet-methyl|1H,3H-[1,3,4]Thiadiazolo[3,4-a]pyridazine, acetic acid deriv.|Acetic acid, [[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester|Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester|Action|Appeal|Blizzard|Cadet|CGA 248757|Fluthiacet methyl|KIH 9201|Methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetamide|UNII-7C989JK2XB|177602-28-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032556
ARPathway2016 ARPathway2016_636 Fluthiacet-methyl 117337-19-6 DTXSID2032556 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)CSC1=C(Cl)C=C(F)C(=C1)N=C1SC(=O)N2CCCCN12 Fluthiacet-methyl 117337-19-6|Fluthiacet-methyl|1H,3H-[1,3,4]Thiadiazolo[3,4-a]pyridazine, acetic acid deriv.|Acetic acid, [[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester|Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester|Action|Appeal|Blizzard|Cadet|CGA 248757|Fluthiacet methyl|KIH 9201|Methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetamide|UNII-7C989JK2XB|177602-28-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032556
ERPathway2016 ERPathway2016_762 Fluthiacet-methyl 117337-19-6 DTXSID2032556 A13 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)CSC1=C(Cl)C=C(F)C(=C1)N=C1SC(=O)N2CCCCN12 Fluthiacet-methyl 117337-19-6|Fluthiacet-methyl|1H,3H-[1,3,4]Thiadiazolo[3,4-a]pyridazine, acetic acid deriv.|Acetic acid, [[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester|Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester|Action|Appeal|Blizzard|Cadet|CGA 248757|Fluthiacet methyl|KIH 9201|Methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetamide|UNII-7C989JK2XB|177602-28-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032556
ERPathway2016 ERPathway2016_762 Fluthiacet-methyl 117337-19-6 DTXSID2032556 A13 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)CSC1=C(Cl)C=C(F)C(=C1)N=C1SC(=O)N2CCCCN12 Fluthiacet-methyl 117337-19-6|Fluthiacet-methyl|1H,3H-[1,3,4]Thiadiazolo[3,4-a]pyridazine, acetic acid deriv.|Acetic acid, [[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester|Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester|Action|Appeal|Blizzard|Cadet|CGA 248757|Fluthiacet methyl|KIH 9201|Methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetamide|UNII-7C989JK2XB|177602-28-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032556
ERPathway2016 ERPathway2016_762 Fluthiacet-methyl 117337-19-6 DTXSID2032556 A13 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)CSC1=C(Cl)C=C(F)C(=C1)N=C1SC(=O)N2CCCCN12 Fluthiacet-methyl 117337-19-6|Fluthiacet-methyl|1H,3H-[1,3,4]Thiadiazolo[3,4-a]pyridazine, acetic acid deriv.|Acetic acid, [[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester|Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester|Action|Appeal|Blizzard|Cadet|CGA 248757|Fluthiacet methyl|KIH 9201|Methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetamide|UNII-7C989JK2XB|177602-28-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032556
ERPathway2016 ERPathway2016_762 Fluthiacet-methyl 117337-19-6 DTXSID2032556 A13 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)CSC1=C(Cl)C=C(F)C(=C1)N=C1SC(=O)N2CCCCN12 Fluthiacet-methyl 117337-19-6|Fluthiacet-methyl|1H,3H-[1,3,4]Thiadiazolo[3,4-a]pyridazine, acetic acid deriv.|Acetic acid, [[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester|Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester|Action|Appeal|Blizzard|Cadet|CGA 248757|Fluthiacet methyl|KIH 9201|Methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetamide|UNII-7C989JK2XB|177602-28-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032556
ARPathway2016 ARPathway2016_1460 Flutolanil 66332-96-5 DTXSID8024109 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)OC1=CC(NC(=O)C2=C(C=CC=C2)C(F)(F)F)=CC=C1 Flutolanil 66332-96-5|Flutolanil|3'-Isopropoxy-2-trifluoromethylbenzanilide|alpha,alpha,alpha-Trifluoro-3'-isopropoxy-o-toluanilide|Benzamide, N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)-|BRN 2163858|EPA Pesticide Chemical Code 128975|Folistar|Moncoat|Moncut|N-(3-isopropoxyphenyl)-2-(trifluoromethyl)benzamide|N-[3-(1-Methylethoxy)phenyl]-2-(trifluoromethyl)benzamide|NNF 136|NNF-136|o-trifluoromethyl-m'-isopropoxybenzoic anilide|Prostar|UNII-2USL6Y9JZ4|1135441-60-9|84461-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024109
ARPathway2016 ARPathway2016_1460 Flutolanil 66332-96-5 DTXSID8024109 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)OC1=CC(NC(=O)C2=C(C=CC=C2)C(F)(F)F)=CC=C1 Flutolanil 66332-96-5|Flutolanil|3'-Isopropoxy-2-trifluoromethylbenzanilide|alpha,alpha,alpha-Trifluoro-3'-isopropoxy-o-toluanilide|Benzamide, N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)-|BRN 2163858|EPA Pesticide Chemical Code 128975|Folistar|Moncoat|Moncut|N-(3-isopropoxyphenyl)-2-(trifluoromethyl)benzamide|N-[3-(1-Methylethoxy)phenyl]-2-(trifluoromethyl)benzamide|NNF 136|NNF-136|o-trifluoromethyl-m'-isopropoxybenzoic anilide|Prostar|UNII-2USL6Y9JZ4|1135441-60-9|84461-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024109
ARPathway2016 ARPathway2016_1460 Flutolanil 66332-96-5 DTXSID8024109 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)OC1=CC(NC(=O)C2=C(C=CC=C2)C(F)(F)F)=CC=C1 Flutolanil 66332-96-5|Flutolanil|3'-Isopropoxy-2-trifluoromethylbenzanilide|alpha,alpha,alpha-Trifluoro-3'-isopropoxy-o-toluanilide|Benzamide, N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)-|BRN 2163858|EPA Pesticide Chemical Code 128975|Folistar|Moncoat|Moncut|N-(3-isopropoxyphenyl)-2-(trifluoromethyl)benzamide|N-[3-(1-Methylethoxy)phenyl]-2-(trifluoromethyl)benzamide|NNF 136|NNF-136|o-trifluoromethyl-m'-isopropoxybenzoic anilide|Prostar|UNII-2USL6Y9JZ4|1135441-60-9|84461-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024109
ARPathway2016 ARPathway2016_1460 Flutolanil 66332-96-5 DTXSID8024109 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)OC1=CC(NC(=O)C2=C(C=CC=C2)C(F)(F)F)=CC=C1 Flutolanil 66332-96-5|Flutolanil|3'-Isopropoxy-2-trifluoromethylbenzanilide|alpha,alpha,alpha-Trifluoro-3'-isopropoxy-o-toluanilide|Benzamide, N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)-|BRN 2163858|EPA Pesticide Chemical Code 128975|Folistar|Moncoat|Moncut|N-(3-isopropoxyphenyl)-2-(trifluoromethyl)benzamide|N-[3-(1-Methylethoxy)phenyl]-2-(trifluoromethyl)benzamide|NNF 136|NNF-136|o-trifluoromethyl-m'-isopropoxybenzoic anilide|Prostar|UNII-2USL6Y9JZ4|1135441-60-9|84461-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024109
ERPathway2016 ERPathway2016_767 Flutolanil 66332-96-5 DTXSID8024109 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)OC1=CC(NC(=O)C2=C(C=CC=C2)C(F)(F)F)=CC=C1 Flutolanil 66332-96-5|Flutolanil|3'-Isopropoxy-2-trifluoromethylbenzanilide|alpha,alpha,alpha-Trifluoro-3'-isopropoxy-o-toluanilide|Benzamide, N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)-|BRN 2163858|EPA Pesticide Chemical Code 128975|Folistar|Moncoat|Moncut|N-(3-isopropoxyphenyl)-2-(trifluoromethyl)benzamide|N-[3-(1-Methylethoxy)phenyl]-2-(trifluoromethyl)benzamide|NNF 136|NNF-136|o-trifluoromethyl-m'-isopropoxybenzoic anilide|Prostar|UNII-2USL6Y9JZ4|1135441-60-9|84461-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024109
ERPathway2016 ERPathway2016_767 Flutolanil 66332-96-5 DTXSID8024109 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)OC1=CC(NC(=O)C2=C(C=CC=C2)C(F)(F)F)=CC=C1 Flutolanil 66332-96-5|Flutolanil|3'-Isopropoxy-2-trifluoromethylbenzanilide|alpha,alpha,alpha-Trifluoro-3'-isopropoxy-o-toluanilide|Benzamide, N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)-|BRN 2163858|EPA Pesticide Chemical Code 128975|Folistar|Moncoat|Moncut|N-(3-isopropoxyphenyl)-2-(trifluoromethyl)benzamide|N-[3-(1-Methylethoxy)phenyl]-2-(trifluoromethyl)benzamide|NNF 136|NNF-136|o-trifluoromethyl-m'-isopropoxybenzoic anilide|Prostar|UNII-2USL6Y9JZ4|1135441-60-9|84461-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024109
ERPathway2016 ERPathway2016_767 Flutolanil 66332-96-5 DTXSID8024109 ER Pathway Model, Agonist Call Inactive Unitless CC(C)OC1=CC(NC(=O)C2=C(C=CC=C2)C(F)(F)F)=CC=C1 Flutolanil 66332-96-5|Flutolanil|3'-Isopropoxy-2-trifluoromethylbenzanilide|alpha,alpha,alpha-Trifluoro-3'-isopropoxy-o-toluanilide|Benzamide, N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)-|BRN 2163858|EPA Pesticide Chemical Code 128975|Folistar|Moncoat|Moncut|N-(3-isopropoxyphenyl)-2-(trifluoromethyl)benzamide|N-[3-(1-Methylethoxy)phenyl]-2-(trifluoromethyl)benzamide|NNF 136|NNF-136|o-trifluoromethyl-m'-isopropoxybenzoic anilide|Prostar|UNII-2USL6Y9JZ4|1135441-60-9|84461-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024109
ERPathway2016 ERPathway2016_767 Flutolanil 66332-96-5 DTXSID8024109 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)OC1=CC(NC(=O)C2=C(C=CC=C2)C(F)(F)F)=CC=C1 Flutolanil 66332-96-5|Flutolanil|3'-Isopropoxy-2-trifluoromethylbenzanilide|alpha,alpha,alpha-Trifluoro-3'-isopropoxy-o-toluanilide|Benzamide, N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)-|BRN 2163858|EPA Pesticide Chemical Code 128975|Folistar|Moncoat|Moncut|N-(3-isopropoxyphenyl)-2-(trifluoromethyl)benzamide|N-[3-(1-Methylethoxy)phenyl]-2-(trifluoromethyl)benzamide|NNF 136|NNF-136|o-trifluoromethyl-m'-isopropoxybenzoic anilide|Prostar|UNII-2USL6Y9JZ4|1135441-60-9|84461-35-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024109
ARPathway2016 ARPathway2016_1375 Folic acid 59-30-3 DTXSID0022519 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=NC(=O)C2=C(N1)N=CC(CNC1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=N2 Folic acid 59-30-3|Folic acid|(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid|(2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxo-methyl]amino]pentanedioic acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid|4-Pteridinol, 2-amino-6-((p-((1,3-dicarboxypropyl)carbamoyl)anilino)methyl)-|Acfol|Acide folique|acido folico|Acidum folicum|Acifolic|Antianemia factor|Cytofol|Dosfolat B activ|EINECS 200-419-0|Factor U|Folacid|Folacin|Folaemin|Folasic|Folbal|Folcidin|Folcysteine|Foldine|Folettes|Foliamin|FOLIC ACID|Folic acid (Vitamin M)|Folicet|Folico|Folina|Folipac|Folovit|Folsaeure|Folsan|Folsaure|Folsav|Folvite|Glutamic acid, N-(p-(((2-amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, L-|Glutamic acid, N-(p-(((2-amino-4-hydroxypyrimido(4,5-b)pyrazin-6-yl)meth|11096-55-2|33609-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022519 https://doi.org/10.22427/NTP-DATA-DTXSID0022519
ARPathway2016 ARPathway2016_1375 Folic acid 59-30-3 DTXSID0022519 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=NC(=O)C2=C(N1)N=CC(CNC1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=N2 Folic acid 59-30-3|Folic acid|(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid|(2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxo-methyl]amino]pentanedioic acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid|4-Pteridinol, 2-amino-6-((p-((1,3-dicarboxypropyl)carbamoyl)anilino)methyl)-|Acfol|Acide folique|acido folico|Acidum folicum|Acifolic|Antianemia factor|Cytofol|Dosfolat B activ|EINECS 200-419-0|Factor U|Folacid|Folacin|Folaemin|Folasic|Folbal|Folcidin|Folcysteine|Foldine|Folettes|Foliamin|FOLIC ACID|Folic acid (Vitamin M)|Folicet|Folico|Folina|Folipac|Folovit|Folsaeure|Folsan|Folsaure|Folsav|Folvite|Glutamic acid, N-(p-(((2-amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, L-|Glutamic acid, N-(p-(((2-amino-4-hydroxypyrimido(4,5-b)pyrazin-6-yl)meth|11096-55-2|33609-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022519 https://doi.org/10.22427/NTP-DATA-DTXSID0022519
ARPathway2016 ARPathway2016_1375 Folic acid 59-30-3 DTXSID0022519 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=NC(=O)C2=C(N1)N=CC(CNC1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=N2 Folic acid 59-30-3|Folic acid|(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid|(2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxo-methyl]amino]pentanedioic acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid|4-Pteridinol, 2-amino-6-((p-((1,3-dicarboxypropyl)carbamoyl)anilino)methyl)-|Acfol|Acide folique|acido folico|Acidum folicum|Acifolic|Antianemia factor|Cytofol|Dosfolat B activ|EINECS 200-419-0|Factor U|Folacid|Folacin|Folaemin|Folasic|Folbal|Folcidin|Folcysteine|Foldine|Folettes|Foliamin|FOLIC ACID|Folic acid (Vitamin M)|Folicet|Folico|Folina|Folipac|Folovit|Folsaeure|Folsan|Folsaure|Folsav|Folvite|Glutamic acid, N-(p-(((2-amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, L-|Glutamic acid, N-(p-(((2-amino-4-hydroxypyrimido(4,5-b)pyrazin-6-yl)meth|11096-55-2|33609-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022519 https://doi.org/10.22427/NTP-DATA-DTXSID0022519
ARPathway2016 ARPathway2016_1375 Folic acid 59-30-3 DTXSID0022519 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=NC(=O)C2=C(N1)N=CC(CNC1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=N2 Folic acid 59-30-3|Folic acid|(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid|(2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxo-methyl]amino]pentanedioic acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid|4-Pteridinol, 2-amino-6-((p-((1,3-dicarboxypropyl)carbamoyl)anilino)methyl)-|Acfol|Acide folique|acido folico|Acidum folicum|Acifolic|Antianemia factor|Cytofol|Dosfolat B activ|EINECS 200-419-0|Factor U|Folacid|Folacin|Folaemin|Folasic|Folbal|Folcidin|Folcysteine|Foldine|Folettes|Foliamin|FOLIC ACID|Folic acid (Vitamin M)|Folicet|Folico|Folina|Folipac|Folovit|Folsaeure|Folsan|Folsaure|Folsav|Folvite|Glutamic acid, N-(p-(((2-amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, L-|Glutamic acid, N-(p-(((2-amino-4-hydroxypyrimido(4,5-b)pyrazin-6-yl)meth|11096-55-2|33609-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022519 https://doi.org/10.22427/NTP-DATA-DTXSID0022519
ERPathway2016 ERPathway2016_977 Folic acid 59-30-3 DTXSID0022519 ER Pathway Model, Agonist Model Score 0 Unitless NC1=NC(=O)C2=C(N1)N=CC(CNC1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=N2 Folic acid 59-30-3|Folic acid|(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid|(2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxo-methyl]amino]pentanedioic acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid|4-Pteridinol, 2-amino-6-((p-((1,3-dicarboxypropyl)carbamoyl)anilino)methyl)-|Acfol|Acide folique|acido folico|Acidum folicum|Acifolic|Antianemia factor|Cytofol|Dosfolat B activ|EINECS 200-419-0|Factor U|Folacid|Folacin|Folaemin|Folasic|Folbal|Folcidin|Folcysteine|Foldine|Folettes|Foliamin|FOLIC ACID|Folic acid (Vitamin M)|Folicet|Folico|Folina|Folipac|Folovit|Folsaeure|Folsan|Folsaure|Folsav|Folvite|Glutamic acid, N-(p-(((2-amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, L-|Glutamic acid, N-(p-(((2-amino-4-hydroxypyrimido(4,5-b)pyrazin-6-yl)meth|11096-55-2|33609-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022519 https://doi.org/10.22427/NTP-DATA-DTXSID0022519
ERPathway2016 ERPathway2016_977 Folic acid 59-30-3 DTXSID0022519 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=NC(=O)C2=C(N1)N=CC(CNC1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=N2 Folic acid 59-30-3|Folic acid|(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid|(2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxo-methyl]amino]pentanedioic acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid|4-Pteridinol, 2-amino-6-((p-((1,3-dicarboxypropyl)carbamoyl)anilino)methyl)-|Acfol|Acide folique|acido folico|Acidum folicum|Acifolic|Antianemia factor|Cytofol|Dosfolat B activ|EINECS 200-419-0|Factor U|Folacid|Folacin|Folaemin|Folasic|Folbal|Folcidin|Folcysteine|Foldine|Folettes|Foliamin|FOLIC ACID|Folic acid (Vitamin M)|Folicet|Folico|Folina|Folipac|Folovit|Folsaeure|Folsan|Folsaure|Folsav|Folvite|Glutamic acid, N-(p-(((2-amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, L-|Glutamic acid, N-(p-(((2-amino-4-hydroxypyrimido(4,5-b)pyrazin-6-yl)meth|11096-55-2|33609-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022519 https://doi.org/10.22427/NTP-DATA-DTXSID0022519
ERPathway2016 ERPathway2016_977 Folic acid 59-30-3 DTXSID0022519 ER Pathway Model, Agonist Call Inactive Unitless NC1=NC(=O)C2=C(N1)N=CC(CNC1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=N2 Folic acid 59-30-3|Folic acid|(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid|(2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxo-methyl]amino]pentanedioic acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid|4-Pteridinol, 2-amino-6-((p-((1,3-dicarboxypropyl)carbamoyl)anilino)methyl)-|Acfol|Acide folique|acido folico|Acidum folicum|Acifolic|Antianemia factor|Cytofol|Dosfolat B activ|EINECS 200-419-0|Factor U|Folacid|Folacin|Folaemin|Folasic|Folbal|Folcidin|Folcysteine|Foldine|Folettes|Foliamin|FOLIC ACID|Folic acid (Vitamin M)|Folicet|Folico|Folina|Folipac|Folovit|Folsaeure|Folsan|Folsaure|Folsav|Folvite|Glutamic acid, N-(p-(((2-amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, L-|Glutamic acid, N-(p-(((2-amino-4-hydroxypyrimido(4,5-b)pyrazin-6-yl)meth|11096-55-2|33609-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022519 https://doi.org/10.22427/NTP-DATA-DTXSID0022519
ERPathway2016 ERPathway2016_977 Folic acid 59-30-3 DTXSID0022519 ER Pathway Model, Antagonist Call Inactive Unitless NC1=NC(=O)C2=C(N1)N=CC(CNC1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=N2 Folic acid 59-30-3|Folic acid|(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid|(2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxo-methyl]amino]pentanedioic acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid|4-Pteridinol, 2-amino-6-((p-((1,3-dicarboxypropyl)carbamoyl)anilino)methyl)-|Acfol|Acide folique|acido folico|Acidum folicum|Acifolic|Antianemia factor|Cytofol|Dosfolat B activ|EINECS 200-419-0|Factor U|Folacid|Folacin|Folaemin|Folasic|Folbal|Folcidin|Folcysteine|Foldine|Folettes|Foliamin|FOLIC ACID|Folic acid (Vitamin M)|Folicet|Folico|Folina|Folipac|Folovit|Folsaeure|Folsan|Folsaure|Folsav|Folvite|Glutamic acid, N-(p-(((2-amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, L-|Glutamic acid, N-(p-(((2-amino-4-hydroxypyrimido(4,5-b)pyrazin-6-yl)meth|11096-55-2|33609-88-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022519 https://doi.org/10.22427/NTP-DATA-DTXSID0022519
ARPathway2016 ARPathway2016_58 Folpet 133-07-3 DTXSID0021385 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 34.36326751 uM ClC(Cl)(Cl)SN1C(=O)C2=C(C=CC=C2)C1=O Folpet 133-07-3|Folpet|1H-Isoindole-1,3(2H)-dione, 2-[(trichloromethyl)thio]-|2-((Trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3-(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|5-21-11-00118|Acryptan|Acryptane|BRN 0193373|Caswell No. 464|Cosan I|Cosan T|EINECS 205-088-6|EPA Pesticide Chemical Code 081601|Folpan) (N-(Trichloromethylthio)phthalimide|folpel|Fungitrol|Fungitrol 11|Fungitrol II|Intercide TMP|Murphy's rose fungicide|N-(Trichlor-methylthio)-phthalamid|N-(Trichlormethylthio)phthalimid|N-(Trichlormethylthio)phthalimide|N-(trichloromethanesulfenyl)phthalimide|N-(trichloromethanesulphenyl)phthalimide|N-(Trichloromethylthio)phtalimide|N-(trichloromethylthio)phthalimide|N-(triclorometiltio)ftalimida|N-[(Trichloromethyl)thio]phthalimide|Ortho phaltan 50W|Orthofaltan 50|Orthophaltan|Phaltan|Phaltane|PHTHALIMIDE, N-[(TRICHLOROMETHYL)THIO]-|Phthaltan|Spolacid|Thiophal|Trichlormethylthioimid kyseliny ftalove|trichloromethylthiophthalimide|Troysan anti-mildew O|UNII-X5NFK3|1135442-81-7|52306-33-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021385
ARPathway2016 ARPathway2016_58 Folpet 133-07-3 DTXSID0021385 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 14.9022158984575 uM ClC(Cl)(Cl)SN1C(=O)C2=C(C=CC=C2)C1=O Folpet 133-07-3|Folpet|1H-Isoindole-1,3(2H)-dione, 2-[(trichloromethyl)thio]-|2-((Trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3-(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|5-21-11-00118|Acryptan|Acryptane|BRN 0193373|Caswell No. 464|Cosan I|Cosan T|EINECS 205-088-6|EPA Pesticide Chemical Code 081601|Folpan) (N-(Trichloromethylthio)phthalimide|folpel|Fungitrol|Fungitrol 11|Fungitrol II|Intercide TMP|Murphy's rose fungicide|N-(Trichlor-methylthio)-phthalamid|N-(Trichlormethylthio)phthalimid|N-(Trichlormethylthio)phthalimide|N-(trichloromethanesulfenyl)phthalimide|N-(trichloromethanesulphenyl)phthalimide|N-(Trichloromethylthio)phtalimide|N-(trichloromethylthio)phthalimide|N-(triclorometiltio)ftalimida|N-[(Trichloromethyl)thio]phthalimide|Ortho phaltan 50W|Orthofaltan 50|Orthophaltan|Phaltan|Phaltane|PHTHALIMIDE, N-[(TRICHLOROMETHYL)THIO]-|Phthaltan|Spolacid|Thiophal|Trichlormethylthioimid kyseliny ftalove|trichloromethylthiophthalimide|Troysan anti-mildew O|UNII-X5NFK3|1135442-81-7|52306-33-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021385
ARPathway2016 ARPathway2016_58 Folpet 133-07-3 DTXSID0021385 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.141 Unitless ClC(Cl)(Cl)SN1C(=O)C2=C(C=CC=C2)C1=O Folpet 133-07-3|Folpet|1H-Isoindole-1,3(2H)-dione, 2-[(trichloromethyl)thio]-|2-((Trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3-(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|5-21-11-00118|Acryptan|Acryptane|BRN 0193373|Caswell No. 464|Cosan I|Cosan T|EINECS 205-088-6|EPA Pesticide Chemical Code 081601|Folpan) (N-(Trichloromethylthio)phthalimide|folpel|Fungitrol|Fungitrol 11|Fungitrol II|Intercide TMP|Murphy's rose fungicide|N-(Trichlor-methylthio)-phthalamid|N-(Trichlormethylthio)phthalimid|N-(Trichlormethylthio)phthalimide|N-(trichloromethanesulfenyl)phthalimide|N-(trichloromethanesulphenyl)phthalimide|N-(Trichloromethylthio)phtalimide|N-(trichloromethylthio)phthalimide|N-(triclorometiltio)ftalimida|N-[(Trichloromethyl)thio]phthalimide|Ortho phaltan 50W|Orthofaltan 50|Orthophaltan|Phaltan|Phaltane|PHTHALIMIDE, N-[(TRICHLOROMETHYL)THIO]-|Phthaltan|Spolacid|Thiophal|Trichlormethylthioimid kyseliny ftalove|trichloromethylthiophthalimide|Troysan anti-mildew O|UNII-X5NFK3|1135442-81-7|52306-33-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021385
ARPathway2016 ARPathway2016_58 Folpet 133-07-3 DTXSID0021385 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)(Cl)SN1C(=O)C2=C(C=CC=C2)C1=O Folpet 133-07-3|Folpet|1H-Isoindole-1,3(2H)-dione, 2-[(trichloromethyl)thio]-|2-((Trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3-(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|5-21-11-00118|Acryptan|Acryptane|BRN 0193373|Caswell No. 464|Cosan I|Cosan T|EINECS 205-088-6|EPA Pesticide Chemical Code 081601|Folpan) (N-(Trichloromethylthio)phthalimide|folpel|Fungitrol|Fungitrol 11|Fungitrol II|Intercide TMP|Murphy's rose fungicide|N-(Trichlor-methylthio)-phthalamid|N-(Trichlormethylthio)phthalimid|N-(Trichlormethylthio)phthalimide|N-(trichloromethanesulfenyl)phthalimide|N-(trichloromethanesulphenyl)phthalimide|N-(Trichloromethylthio)phtalimide|N-(trichloromethylthio)phthalimide|N-(triclorometiltio)ftalimida|N-[(Trichloromethyl)thio]phthalimide|Ortho phaltan 50W|Orthofaltan 50|Orthophaltan|Phaltan|Phaltane|PHTHALIMIDE, N-[(TRICHLOROMETHYL)THIO]-|Phthaltan|Spolacid|Thiophal|Trichlormethylthioimid kyseliny ftalove|trichloromethylthiophthalimide|Troysan anti-mildew O|UNII-X5NFK3|1135442-81-7|52306-33-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021385
ARPathway2016 ARPathway2016_58 Folpet 133-07-3 DTXSID0021385 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC(Cl)(Cl)SN1C(=O)C2=C(C=CC=C2)C1=O Folpet 133-07-3|Folpet|1H-Isoindole-1,3(2H)-dione, 2-[(trichloromethyl)thio]-|2-((Trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3-(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|5-21-11-00118|Acryptan|Acryptane|BRN 0193373|Caswell No. 464|Cosan I|Cosan T|EINECS 205-088-6|EPA Pesticide Chemical Code 081601|Folpan) (N-(Trichloromethylthio)phthalimide|folpel|Fungitrol|Fungitrol 11|Fungitrol II|Intercide TMP|Murphy's rose fungicide|N-(Trichlor-methylthio)-phthalamid|N-(Trichlormethylthio)phthalimid|N-(Trichlormethylthio)phthalimide|N-(trichloromethanesulfenyl)phthalimide|N-(trichloromethanesulphenyl)phthalimide|N-(Trichloromethylthio)phtalimide|N-(trichloromethylthio)phthalimide|N-(triclorometiltio)ftalimida|N-[(Trichloromethyl)thio]phthalimide|Ortho phaltan 50W|Orthofaltan 50|Orthophaltan|Phaltan|Phaltane|PHTHALIMIDE, N-[(TRICHLOROMETHYL)THIO]-|Phthaltan|Spolacid|Thiophal|Trichlormethylthioimid kyseliny ftalove|trichloromethylthiophthalimide|Troysan anti-mildew O|UNII-X5NFK3|1135442-81-7|52306-33-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021385
ARPathway2016 ARPathway2016_58 Folpet 133-07-3 DTXSID0021385 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)(Cl)SN1C(=O)C2=C(C=CC=C2)C1=O Folpet 133-07-3|Folpet|1H-Isoindole-1,3(2H)-dione, 2-[(trichloromethyl)thio]-|2-((Trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3-(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|5-21-11-00118|Acryptan|Acryptane|BRN 0193373|Caswell No. 464|Cosan I|Cosan T|EINECS 205-088-6|EPA Pesticide Chemical Code 081601|Folpan) (N-(Trichloromethylthio)phthalimide|folpel|Fungitrol|Fungitrol 11|Fungitrol II|Intercide TMP|Murphy's rose fungicide|N-(Trichlor-methylthio)-phthalamid|N-(Trichlormethylthio)phthalimid|N-(Trichlormethylthio)phthalimide|N-(trichloromethanesulfenyl)phthalimide|N-(trichloromethanesulphenyl)phthalimide|N-(Trichloromethylthio)phtalimide|N-(trichloromethylthio)phthalimide|N-(triclorometiltio)ftalimida|N-[(Trichloromethyl)thio]phthalimide|Ortho phaltan 50W|Orthofaltan 50|Orthophaltan|Phaltan|Phaltane|PHTHALIMIDE, N-[(TRICHLOROMETHYL)THIO]-|Phthaltan|Spolacid|Thiophal|Trichlormethylthioimid kyseliny ftalove|trichloromethylthiophthalimide|Troysan anti-mildew O|UNII-X5NFK3|1135442-81-7|52306-33-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021385
ERPathway2016 ERPathway2016_567 Folpet 133-07-3 DTXSID0021385 R9 ER Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)(Cl)SN1C(=O)C2=C(C=CC=C2)C1=O Folpet 133-07-3|Folpet|1H-Isoindole-1,3(2H)-dione, 2-[(trichloromethyl)thio]-|2-((Trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3-(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|5-21-11-00118|Acryptan|Acryptane|BRN 0193373|Caswell No. 464|Cosan I|Cosan T|EINECS 205-088-6|EPA Pesticide Chemical Code 081601|Folpan) (N-(Trichloromethylthio)phthalimide|folpel|Fungitrol|Fungitrol 11|Fungitrol II|Intercide TMP|Murphy's rose fungicide|N-(Trichlor-methylthio)-phthalamid|N-(Trichlormethylthio)phthalimid|N-(Trichlormethylthio)phthalimide|N-(trichloromethanesulfenyl)phthalimide|N-(trichloromethanesulphenyl)phthalimide|N-(Trichloromethylthio)phtalimide|N-(trichloromethylthio)phthalimide|N-(triclorometiltio)ftalimida|N-[(Trichloromethyl)thio]phthalimide|Ortho phaltan 50W|Orthofaltan 50|Orthophaltan|Phaltan|Phaltane|PHTHALIMIDE, N-[(TRICHLOROMETHYL)THIO]-|Phthaltan|Spolacid|Thiophal|Trichlormethylthioimid kyseliny ftalove|trichloromethylthiophthalimide|Troysan anti-mildew O|UNII-X5NFK3|1135442-81-7|52306-33-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021385
ERPathway2016 ERPathway2016_567 Folpet 133-07-3 DTXSID0021385 R9 ER Pathway Model, Antagonist Model Score 0 Unitless ClC(Cl)(Cl)SN1C(=O)C2=C(C=CC=C2)C1=O Folpet 133-07-3|Folpet|1H-Isoindole-1,3(2H)-dione, 2-[(trichloromethyl)thio]-|2-((Trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3-(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|5-21-11-00118|Acryptan|Acryptane|BRN 0193373|Caswell No. 464|Cosan I|Cosan T|EINECS 205-088-6|EPA Pesticide Chemical Code 081601|Folpan) (N-(Trichloromethylthio)phthalimide|folpel|Fungitrol|Fungitrol 11|Fungitrol II|Intercide TMP|Murphy's rose fungicide|N-(Trichlor-methylthio)-phthalamid|N-(Trichlormethylthio)phthalimid|N-(Trichlormethylthio)phthalimide|N-(trichloromethanesulfenyl)phthalimide|N-(trichloromethanesulphenyl)phthalimide|N-(Trichloromethylthio)phtalimide|N-(trichloromethylthio)phthalimide|N-(triclorometiltio)ftalimida|N-[(Trichloromethyl)thio]phthalimide|Ortho phaltan 50W|Orthofaltan 50|Orthophaltan|Phaltan|Phaltane|PHTHALIMIDE, N-[(TRICHLOROMETHYL)THIO]-|Phthaltan|Spolacid|Thiophal|Trichlormethylthioimid kyseliny ftalove|trichloromethylthiophthalimide|Troysan anti-mildew O|UNII-X5NFK3|1135442-81-7|52306-33-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021385
ERPathway2016 ERPathway2016_567 Folpet 133-07-3 DTXSID0021385 R9 ER Pathway Model, Agonist Call Inactive Unitless ClC(Cl)(Cl)SN1C(=O)C2=C(C=CC=C2)C1=O Folpet 133-07-3|Folpet|1H-Isoindole-1,3(2H)-dione, 2-[(trichloromethyl)thio]-|2-((Trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3-(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|5-21-11-00118|Acryptan|Acryptane|BRN 0193373|Caswell No. 464|Cosan I|Cosan T|EINECS 205-088-6|EPA Pesticide Chemical Code 081601|Folpan) (N-(Trichloromethylthio)phthalimide|folpel|Fungitrol|Fungitrol 11|Fungitrol II|Intercide TMP|Murphy's rose fungicide|N-(Trichlor-methylthio)-phthalamid|N-(Trichlormethylthio)phthalimid|N-(Trichlormethylthio)phthalimide|N-(trichloromethanesulfenyl)phthalimide|N-(trichloromethanesulphenyl)phthalimide|N-(Trichloromethylthio)phtalimide|N-(trichloromethylthio)phthalimide|N-(triclorometiltio)ftalimida|N-[(Trichloromethyl)thio]phthalimide|Ortho phaltan 50W|Orthofaltan 50|Orthophaltan|Phaltan|Phaltane|PHTHALIMIDE, N-[(TRICHLOROMETHYL)THIO]-|Phthaltan|Spolacid|Thiophal|Trichlormethylthioimid kyseliny ftalove|trichloromethylthiophthalimide|Troysan anti-mildew O|UNII-X5NFK3|1135442-81-7|52306-33-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021385
ERPathway2016 ERPathway2016_567 Folpet 133-07-3 DTXSID0021385 R9 ER Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)(Cl)SN1C(=O)C2=C(C=CC=C2)C1=O Folpet 133-07-3|Folpet|1H-Isoindole-1,3(2H)-dione, 2-[(trichloromethyl)thio]-|2-((Trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3-(2H)-dione|2-[(Trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione|5-21-11-00118|Acryptan|Acryptane|BRN 0193373|Caswell No. 464|Cosan I|Cosan T|EINECS 205-088-6|EPA Pesticide Chemical Code 081601|Folpan) (N-(Trichloromethylthio)phthalimide|folpel|Fungitrol|Fungitrol 11|Fungitrol II|Intercide TMP|Murphy's rose fungicide|N-(Trichlor-methylthio)-phthalamid|N-(Trichlormethylthio)phthalimid|N-(Trichlormethylthio)phthalimide|N-(trichloromethanesulfenyl)phthalimide|N-(trichloromethanesulphenyl)phthalimide|N-(Trichloromethylthio)phtalimide|N-(trichloromethylthio)phthalimide|N-(triclorometiltio)ftalimida|N-[(Trichloromethyl)thio]phthalimide|Ortho phaltan 50W|Orthofaltan 50|Orthophaltan|Phaltan|Phaltane|PHTHALIMIDE, N-[(TRICHLOROMETHYL)THIO]-|Phthaltan|Spolacid|Thiophal|Trichlormethylthioimid kyseliny ftalove|trichloromethylthiophthalimide|Troysan anti-mildew O|UNII-X5NFK3|1135442-81-7|52306-33-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021385
ARPathway2016 ARPathway2016_1514 Fomesafen 72178-02-0 DTXSID7024112 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CS(=O)(=O)NC(=O)C1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O Fomesafen 72178-02-0|Fomesafen|276-439-9|5-(2-Chloro-4-(trifluoromethyl)phenoxy)-N-(methylsulfonyl)-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-mesyl-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-methylsulfonyl-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-methylsulphonyl-2-nitrobenzamide|5-[2-Chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide|Benzamide, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitro-|EC No.: 276-439-9|EINECS 276-439-9|Flex|Flexstar|Fomesafene|N-Methanesulfonyl-5-[(2-chloro-a,a,a-trifluoro-4-tolyl)oxy]-2-nitrobenzamide|P.C. Code 123802|PC Code 123802|PP021|Reflex|Reflex (herbicide)|UNII-M0A3U4CDTF https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024112
ARPathway2016 ARPathway2016_1514 Fomesafen 72178-02-0 DTXSID7024112 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CS(=O)(=O)NC(=O)C1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O Fomesafen 72178-02-0|Fomesafen|276-439-9|5-(2-Chloro-4-(trifluoromethyl)phenoxy)-N-(methylsulfonyl)-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-mesyl-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-methylsulfonyl-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-methylsulphonyl-2-nitrobenzamide|5-[2-Chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide|Benzamide, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitro-|EC No.: 276-439-9|EINECS 276-439-9|Flex|Flexstar|Fomesafene|N-Methanesulfonyl-5-[(2-chloro-a,a,a-trifluoro-4-tolyl)oxy]-2-nitrobenzamide|P.C. Code 123802|PC Code 123802|PP021|Reflex|Reflex (herbicide)|UNII-M0A3U4CDTF https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024112
ARPathway2016 ARPathway2016_1514 Fomesafen 72178-02-0 DTXSID7024112 0.0 AR Pathway Model, Agonist Call Inactive Unitless CS(=O)(=O)NC(=O)C1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O Fomesafen 72178-02-0|Fomesafen|276-439-9|5-(2-Chloro-4-(trifluoromethyl)phenoxy)-N-(methylsulfonyl)-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-mesyl-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-methylsulfonyl-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-methylsulphonyl-2-nitrobenzamide|5-[2-Chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide|Benzamide, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitro-|EC No.: 276-439-9|EINECS 276-439-9|Flex|Flexstar|Fomesafene|N-Methanesulfonyl-5-[(2-chloro-a,a,a-trifluoro-4-tolyl)oxy]-2-nitrobenzamide|P.C. Code 123802|PC Code 123802|PP021|Reflex|Reflex (herbicide)|UNII-M0A3U4CDTF https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024112
ARPathway2016 ARPathway2016_1514 Fomesafen 72178-02-0 DTXSID7024112 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CS(=O)(=O)NC(=O)C1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O Fomesafen 72178-02-0|Fomesafen|276-439-9|5-(2-Chloro-4-(trifluoromethyl)phenoxy)-N-(methylsulfonyl)-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-mesyl-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-methylsulfonyl-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-methylsulphonyl-2-nitrobenzamide|5-[2-Chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide|Benzamide, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitro-|EC No.: 276-439-9|EINECS 276-439-9|Flex|Flexstar|Fomesafene|N-Methanesulfonyl-5-[(2-chloro-a,a,a-trifluoro-4-tolyl)oxy]-2-nitrobenzamide|P.C. Code 123802|PC Code 123802|PP021|Reflex|Reflex (herbicide)|UNII-M0A3U4CDTF https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024112
ERPathway2016 ERPathway2016_832 Fomesafen 72178-02-0 DTXSID7024112 ER Pathway Model, Agonist Model Score 0 Unitless CS(=O)(=O)NC(=O)C1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O Fomesafen 72178-02-0|Fomesafen|276-439-9|5-(2-Chloro-4-(trifluoromethyl)phenoxy)-N-(methylsulfonyl)-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-mesyl-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-methylsulfonyl-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-methylsulphonyl-2-nitrobenzamide|5-[2-Chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide|Benzamide, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitro-|EC No.: 276-439-9|EINECS 276-439-9|Flex|Flexstar|Fomesafene|N-Methanesulfonyl-5-[(2-chloro-a,a,a-trifluoro-4-tolyl)oxy]-2-nitrobenzamide|P.C. Code 123802|PC Code 123802|PP021|Reflex|Reflex (herbicide)|UNII-M0A3U4CDTF https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024112
ERPathway2016 ERPathway2016_832 Fomesafen 72178-02-0 DTXSID7024112 ER Pathway Model, Antagonist Model Score 0 Unitless CS(=O)(=O)NC(=O)C1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O Fomesafen 72178-02-0|Fomesafen|276-439-9|5-(2-Chloro-4-(trifluoromethyl)phenoxy)-N-(methylsulfonyl)-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-mesyl-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-methylsulfonyl-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-methylsulphonyl-2-nitrobenzamide|5-[2-Chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide|Benzamide, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitro-|EC No.: 276-439-9|EINECS 276-439-9|Flex|Flexstar|Fomesafene|N-Methanesulfonyl-5-[(2-chloro-a,a,a-trifluoro-4-tolyl)oxy]-2-nitrobenzamide|P.C. Code 123802|PC Code 123802|PP021|Reflex|Reflex (herbicide)|UNII-M0A3U4CDTF https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024112
ERPathway2016 ERPathway2016_832 Fomesafen 72178-02-0 DTXSID7024112 ER Pathway Model, Agonist Call Inactive Unitless CS(=O)(=O)NC(=O)C1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O Fomesafen 72178-02-0|Fomesafen|276-439-9|5-(2-Chloro-4-(trifluoromethyl)phenoxy)-N-(methylsulfonyl)-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-mesyl-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-methylsulfonyl-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-methylsulphonyl-2-nitrobenzamide|5-[2-Chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide|Benzamide, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitro-|EC No.: 276-439-9|EINECS 276-439-9|Flex|Flexstar|Fomesafene|N-Methanesulfonyl-5-[(2-chloro-a,a,a-trifluoro-4-tolyl)oxy]-2-nitrobenzamide|P.C. Code 123802|PC Code 123802|PP021|Reflex|Reflex (herbicide)|UNII-M0A3U4CDTF https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024112
ERPathway2016 ERPathway2016_832 Fomesafen 72178-02-0 DTXSID7024112 ER Pathway Model, Antagonist Call Inactive Unitless CS(=O)(=O)NC(=O)C1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O Fomesafen 72178-02-0|Fomesafen|276-439-9|5-(2-Chloro-4-(trifluoromethyl)phenoxy)-N-(methylsulfonyl)-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-mesyl-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-methylsulfonyl-2-nitrobenzamide|5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-methylsulphonyl-2-nitrobenzamide|5-[2-Chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide|Benzamide, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitro-|EC No.: 276-439-9|EINECS 276-439-9|Flex|Flexstar|Fomesafene|N-Methanesulfonyl-5-[(2-chloro-a,a,a-trifluoro-4-tolyl)oxy]-2-nitrobenzamide|P.C. Code 123802|PC Code 123802|PP021|Reflex|Reflex (herbicide)|UNII-M0A3U4CDTF https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024112
ARPathway2016 ARPathway2016_1479 Forchlorfenuron 68157-60-8 DTXSID1034634 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=NC=CC(NC(=O)NC2=CC=CC=C2)=C1 Forchlorfenuron 68157-60-8|Forchlorfenuron|1-(2-Chloro-4-pyridyl)-3-phenylurea|4PU30|Chloropyridylphenyl urea|CN 11-3138|CPPU|Fulmet|KT 30 (plant growth regulator)|N-(2-Chloro-4-pyridinyl)-N'-phenylurea|N-(2-Chloro-4-pyridyl)-N'-phenylurea|N-Phenyl-N'-(2-chloro-4-pyridyl)urea|Sitofex|SKW 20010|UNII-K62IP7463J|Urea, N-(2-chloro-4-pyridinyl)-N'-phenyl-|V 3183 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034634
ARPathway2016 ARPathway2016_1479 Forchlorfenuron 68157-60-8 DTXSID1034634 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=NC=CC(NC(=O)NC2=CC=CC=C2)=C1 Forchlorfenuron 68157-60-8|Forchlorfenuron|1-(2-Chloro-4-pyridyl)-3-phenylurea|4PU30|Chloropyridylphenyl urea|CN 11-3138|CPPU|Fulmet|KT 30 (plant growth regulator)|N-(2-Chloro-4-pyridinyl)-N'-phenylurea|N-(2-Chloro-4-pyridyl)-N'-phenylurea|N-Phenyl-N'-(2-chloro-4-pyridyl)urea|Sitofex|SKW 20010|UNII-K62IP7463J|Urea, N-(2-chloro-4-pyridinyl)-N'-phenyl-|V 3183 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034634
ARPathway2016 ARPathway2016_1479 Forchlorfenuron 68157-60-8 DTXSID1034634 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless ClC1=NC=CC(NC(=O)NC2=CC=CC=C2)=C1 Forchlorfenuron 68157-60-8|Forchlorfenuron|1-(2-Chloro-4-pyridyl)-3-phenylurea|4PU30|Chloropyridylphenyl urea|CN 11-3138|CPPU|Fulmet|KT 30 (plant growth regulator)|N-(2-Chloro-4-pyridinyl)-N'-phenylurea|N-(2-Chloro-4-pyridyl)-N'-phenylurea|N-Phenyl-N'-(2-chloro-4-pyridyl)urea|Sitofex|SKW 20010|UNII-K62IP7463J|Urea, N-(2-chloro-4-pyridinyl)-N'-phenyl-|V 3183 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034634
ARPathway2016 ARPathway2016_1479 Forchlorfenuron 68157-60-8 DTXSID1034634 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=NC=CC(NC(=O)NC2=CC=CC=C2)=C1 Forchlorfenuron 68157-60-8|Forchlorfenuron|1-(2-Chloro-4-pyridyl)-3-phenylurea|4PU30|Chloropyridylphenyl urea|CN 11-3138|CPPU|Fulmet|KT 30 (plant growth regulator)|N-(2-Chloro-4-pyridinyl)-N'-phenylurea|N-(2-Chloro-4-pyridyl)-N'-phenylurea|N-Phenyl-N'-(2-chloro-4-pyridyl)urea|Sitofex|SKW 20010|UNII-K62IP7463J|Urea, N-(2-chloro-4-pyridinyl)-N'-phenyl-|V 3183 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034634
ERPathway2016 ERPathway2016_559 Forchlorfenuron 68157-60-8 DTXSID1034634 R9 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=NC=CC(NC(=O)NC2=CC=CC=C2)=C1 Forchlorfenuron 68157-60-8|Forchlorfenuron|1-(2-Chloro-4-pyridyl)-3-phenylurea|4PU30|Chloropyridylphenyl urea|CN 11-3138|CPPU|Fulmet|KT 30 (plant growth regulator)|N-(2-Chloro-4-pyridinyl)-N'-phenylurea|N-(2-Chloro-4-pyridyl)-N'-phenylurea|N-Phenyl-N'-(2-chloro-4-pyridyl)urea|Sitofex|SKW 20010|UNII-K62IP7463J|Urea, N-(2-chloro-4-pyridinyl)-N'-phenyl-|V 3183 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034634
ERPathway2016 ERPathway2016_559 Forchlorfenuron 68157-60-8 DTXSID1034634 R9 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=NC=CC(NC(=O)NC2=CC=CC=C2)=C1 Forchlorfenuron 68157-60-8|Forchlorfenuron|1-(2-Chloro-4-pyridyl)-3-phenylurea|4PU30|Chloropyridylphenyl urea|CN 11-3138|CPPU|Fulmet|KT 30 (plant growth regulator)|N-(2-Chloro-4-pyridinyl)-N'-phenylurea|N-(2-Chloro-4-pyridyl)-N'-phenylurea|N-Phenyl-N'-(2-chloro-4-pyridyl)urea|Sitofex|SKW 20010|UNII-K62IP7463J|Urea, N-(2-chloro-4-pyridinyl)-N'-phenyl-|V 3183 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034634
ERPathway2016 ERPathway2016_559 Forchlorfenuron 68157-60-8 DTXSID1034634 R9 ER Pathway Model, Agonist Call Inactive Unitless ClC1=NC=CC(NC(=O)NC2=CC=CC=C2)=C1 Forchlorfenuron 68157-60-8|Forchlorfenuron|1-(2-Chloro-4-pyridyl)-3-phenylurea|4PU30|Chloropyridylphenyl urea|CN 11-3138|CPPU|Fulmet|KT 30 (plant growth regulator)|N-(2-Chloro-4-pyridinyl)-N'-phenylurea|N-(2-Chloro-4-pyridyl)-N'-phenylurea|N-Phenyl-N'-(2-chloro-4-pyridyl)urea|Sitofex|SKW 20010|UNII-K62IP7463J|Urea, N-(2-chloro-4-pyridinyl)-N'-phenyl-|V 3183 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034634
ERPathway2016 ERPathway2016_559 Forchlorfenuron 68157-60-8 DTXSID1034634 R9 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=NC=CC(NC(=O)NC2=CC=CC=C2)=C1 Forchlorfenuron 68157-60-8|Forchlorfenuron|1-(2-Chloro-4-pyridyl)-3-phenylurea|4PU30|Chloropyridylphenyl urea|CN 11-3138|CPPU|Fulmet|KT 30 (plant growth regulator)|N-(2-Chloro-4-pyridinyl)-N'-phenylurea|N-(2-Chloro-4-pyridyl)-N'-phenylurea|N-Phenyl-N'-(2-chloro-4-pyridyl)urea|Sitofex|SKW 20010|UNII-K62IP7463J|Urea, N-(2-chloro-4-pyridinyl)-N'-phenyl-|V 3183 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034634
ARPathway2016 ARPathway2016_1849 Formalin NOCAS_47796 DTXSID5047796 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Formalin NOCAS_47796|Formalin|Formaldehyde, solutions (Formalin) (Corrosive) https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047796
ARPathway2016 ARPathway2016_1849 Formalin NOCAS_47796 DTXSID5047796 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Formalin NOCAS_47796|Formalin|Formaldehyde, solutions (Formalin) (Corrosive) https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047796
ARPathway2016 ARPathway2016_1849 Formalin NOCAS_47796 DTXSID5047796 0.0 AR Pathway Model, Agonist Call Inactive Unitless Formalin NOCAS_47796|Formalin|Formaldehyde, solutions (Formalin) (Corrosive) https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047796
ARPathway2016 ARPathway2016_1849 Formalin NOCAS_47796 DTXSID5047796 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Formalin NOCAS_47796|Formalin|Formaldehyde, solutions (Formalin) (Corrosive) https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047796
ERPathway2016 ERPathway2016_1812 Formalin NOCAS_47796 DTXSID5047796 ER Pathway Model, Agonist Model Score 0 Unitless Formalin NOCAS_47796|Formalin|Formaldehyde, solutions (Formalin) (Corrosive) https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047796
ERPathway2016 ERPathway2016_1812 Formalin NOCAS_47796 DTXSID5047796 ER Pathway Model, Antagonist Model Score 0 Unitless Formalin NOCAS_47796|Formalin|Formaldehyde, solutions (Formalin) (Corrosive) https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047796
ERPathway2016 ERPathway2016_1812 Formalin NOCAS_47796 DTXSID5047796 ER Pathway Model, Agonist Call Inactive Unitless Formalin NOCAS_47796|Formalin|Formaldehyde, solutions (Formalin) (Corrosive) https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047796
ERPathway2016 ERPathway2016_1812 Formalin NOCAS_47796 DTXSID5047796 ER Pathway Model, Antagonist Call Inactive Unitless Formalin NOCAS_47796|Formalin|Formaldehyde, solutions (Formalin) (Corrosive) https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047796
ARPathway2016 ARPathway2016_383 Formamide 75-12-7 DTXSID8025337 1.0 A4 AR Pathway Model, Antagonist AC50 28.3371687539211 uM NC=O Formamide 75-12-7|Formamide|Ameisensaeureamid|Amid kyseliny mravenci|Carbamaldehyde|EINECS 200-842-0|Formamid|formamida|Formic acid, amide|Formimidic acid|Methanamid|Methanamide|Methanoic acid, amide|NSC 748|UNII-4781T907ZS|1156543-55-3|1158234-15-1|23296-41-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025337 https://doi.org/10.22427/NTP-DATA-DTXSID8025337
ARPathway2016 ARPathway2016_383 Formamide 75-12-7 DTXSID8025337 1.0 A4 AR Pathway Model, Antagonist ACC 26.4674961230189 uM NC=O Formamide 75-12-7|Formamide|Ameisensaeureamid|Amid kyseliny mravenci|Carbamaldehyde|EINECS 200-842-0|Formamid|formamida|Formic acid, amide|Formimidic acid|Methanamid|Methanamide|Methanoic acid, amide|NSC 748|UNII-4781T907ZS|1156543-55-3|1158234-15-1|23296-41-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025337 https://doi.org/10.22427/NTP-DATA-DTXSID8025337
ARPathway2016 ARPathway2016_383 Formamide 75-12-7 DTXSID8025337 1.0 A4 AR Pathway Model, Antagonist Model Score 0 Unitless NC=O Formamide 75-12-7|Formamide|Ameisensaeureamid|Amid kyseliny mravenci|Carbamaldehyde|EINECS 200-842-0|Formamid|formamida|Formic acid, amide|Formimidic acid|Methanamid|Methanamide|Methanoic acid, amide|NSC 748|UNII-4781T907ZS|1156543-55-3|1158234-15-1|23296-41-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025337 https://doi.org/10.22427/NTP-DATA-DTXSID8025337
ARPathway2016 ARPathway2016_383 Formamide 75-12-7 DTXSID8025337 1.0 A4 AR Pathway Model, Agonist Model Score 0.023 Unitless NC=O Formamide 75-12-7|Formamide|Ameisensaeureamid|Amid kyseliny mravenci|Carbamaldehyde|EINECS 200-842-0|Formamid|formamida|Formic acid, amide|Formimidic acid|Methanamid|Methanamide|Methanoic acid, amide|NSC 748|UNII-4781T907ZS|1156543-55-3|1158234-15-1|23296-41-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025337 https://doi.org/10.22427/NTP-DATA-DTXSID8025337
ARPathway2016 ARPathway2016_383 Formamide 75-12-7 DTXSID8025337 1.0 A4 AR Pathway Model, Agonist Call Inactive Unitless NC=O Formamide 75-12-7|Formamide|Ameisensaeureamid|Amid kyseliny mravenci|Carbamaldehyde|EINECS 200-842-0|Formamid|formamida|Formic acid, amide|Formimidic acid|Methanamid|Methanamide|Methanoic acid, amide|NSC 748|UNII-4781T907ZS|1156543-55-3|1158234-15-1|23296-41-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025337 https://doi.org/10.22427/NTP-DATA-DTXSID8025337
ARPathway2016 ARPathway2016_383 Formamide 75-12-7 DTXSID8025337 1.0 A4 AR Pathway Model, Antagonist Call Active Unitless NC=O Formamide 75-12-7|Formamide|Ameisensaeureamid|Amid kyseliny mravenci|Carbamaldehyde|EINECS 200-842-0|Formamid|formamida|Formic acid, amide|Formimidic acid|Methanamid|Methanamide|Methanoic acid, amide|NSC 748|UNII-4781T907ZS|1156543-55-3|1158234-15-1|23296-41-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025337 https://doi.org/10.22427/NTP-DATA-DTXSID8025337
ARPathway2016 ARPathway2016_1021 Formetanate hydrochloride 23422-53-9 DTXSID4032405 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.CNC(=O)OC1=CC=CC(=C1)N=CN(C)C Formetanate hydrochloride 23422-53-9|Formetanate hydrochloride|3-{[(E)-(dimethylamino)methylidene]amino}phenyl methylcarbamate hydrochloride|3-Dimethylaminomethyleneiminophenyl-N-methylcarbamate, hydrochloride|Carbamic acid, methyl-, ester with N'-(m-hydroxyphenyl)-N,N-dimethylformamidine, monohydrochloride|Carzol|Carzol 92SP|Carzol SP|Caswell No. 465B|EC No.: 245-656-0|EINECS 245-656-0|EP 332|EPA Pesticide Chemical Code 097301|Formetanate HCl|formetanate hydrochloride|Formetanate monohydrochloride|m-[[(Dimethylamino)methylene]amino]phenyl methylcarbamate hydrochloride|Methanimidamide, N,N-dimethyl-N'-(3-(((methylamino)carbonyl)oxy)phenyl)-, hydrochloride (1:1)|Methanimidamide, N, N- dimethyl- N'- [3- [[(methylamino) carbonyl] oxy] phenyl] - , hydrochloride (1:1)|Methanimidamide, N,N-dimethyl-N'-[3-[[(methylamino)carbonyl]oxy]phenyl]-, monohydrochloride|Morton EP 332|N,N-Dimethyl-N'-(((methylamino)carbonyl)oxy)phenylmethanimidamide monohydrochloride|Nor-AM EP 332|NSC 379585|Schering 36056|UNII-W0Y3OP0N2Z|18413-17-7|26445-73-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032405
ARPathway2016 ARPathway2016_1021 Formetanate hydrochloride 23422-53-9 DTXSID4032405 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cl.CNC(=O)OC1=CC=CC(=C1)N=CN(C)C Formetanate hydrochloride 23422-53-9|Formetanate hydrochloride|3-{[(E)-(dimethylamino)methylidene]amino}phenyl methylcarbamate hydrochloride|3-Dimethylaminomethyleneiminophenyl-N-methylcarbamate, hydrochloride|Carbamic acid, methyl-, ester with N'-(m-hydroxyphenyl)-N,N-dimethylformamidine, monohydrochloride|Carzol|Carzol 92SP|Carzol SP|Caswell No. 465B|EC No.: 245-656-0|EINECS 245-656-0|EP 332|EPA Pesticide Chemical Code 097301|Formetanate HCl|formetanate hydrochloride|Formetanate monohydrochloride|m-[[(Dimethylamino)methylene]amino]phenyl methylcarbamate hydrochloride|Methanimidamide, N,N-dimethyl-N'-(3-(((methylamino)carbonyl)oxy)phenyl)-, hydrochloride (1:1)|Methanimidamide, N, N- dimethyl- N'- [3- [[(methylamino) carbonyl] oxy] phenyl] - , hydrochloride (1:1)|Methanimidamide, N,N-dimethyl-N'-[3-[[(methylamino)carbonyl]oxy]phenyl]-, monohydrochloride|Morton EP 332|N,N-Dimethyl-N'-(((methylamino)carbonyl)oxy)phenylmethanimidamide monohydrochloride|Nor-AM EP 332|NSC 379585|Schering 36056|UNII-W0Y3OP0N2Z|18413-17-7|26445-73-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032405
ARPathway2016 ARPathway2016_1021 Formetanate hydrochloride 23422-53-9 DTXSID4032405 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cl.CNC(=O)OC1=CC=CC(=C1)N=CN(C)C Formetanate hydrochloride 23422-53-9|Formetanate hydrochloride|3-{[(E)-(dimethylamino)methylidene]amino}phenyl methylcarbamate hydrochloride|3-Dimethylaminomethyleneiminophenyl-N-methylcarbamate, hydrochloride|Carbamic acid, methyl-, ester with N'-(m-hydroxyphenyl)-N,N-dimethylformamidine, monohydrochloride|Carzol|Carzol 92SP|Carzol SP|Caswell No. 465B|EC No.: 245-656-0|EINECS 245-656-0|EP 332|EPA Pesticide Chemical Code 097301|Formetanate HCl|formetanate hydrochloride|Formetanate monohydrochloride|m-[[(Dimethylamino)methylene]amino]phenyl methylcarbamate hydrochloride|Methanimidamide, N,N-dimethyl-N'-(3-(((methylamino)carbonyl)oxy)phenyl)-, hydrochloride (1:1)|Methanimidamide, N, N- dimethyl- N'- [3- [[(methylamino) carbonyl] oxy] phenyl] - , hydrochloride (1:1)|Methanimidamide, N,N-dimethyl-N'-[3-[[(methylamino)carbonyl]oxy]phenyl]-, monohydrochloride|Morton EP 332|N,N-Dimethyl-N'-(((methylamino)carbonyl)oxy)phenylmethanimidamide monohydrochloride|Nor-AM EP 332|NSC 379585|Schering 36056|UNII-W0Y3OP0N2Z|18413-17-7|26445-73-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032405
ARPathway2016 ARPathway2016_1021 Formetanate hydrochloride 23422-53-9 DTXSID4032405 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cl.CNC(=O)OC1=CC=CC(=C1)N=CN(C)C Formetanate hydrochloride 23422-53-9|Formetanate hydrochloride|3-{[(E)-(dimethylamino)methylidene]amino}phenyl methylcarbamate hydrochloride|3-Dimethylaminomethyleneiminophenyl-N-methylcarbamate, hydrochloride|Carbamic acid, methyl-, ester with N'-(m-hydroxyphenyl)-N,N-dimethylformamidine, monohydrochloride|Carzol|Carzol 92SP|Carzol SP|Caswell No. 465B|EC No.: 245-656-0|EINECS 245-656-0|EP 332|EPA Pesticide Chemical Code 097301|Formetanate HCl|formetanate hydrochloride|Formetanate monohydrochloride|m-[[(Dimethylamino)methylene]amino]phenyl methylcarbamate hydrochloride|Methanimidamide, N,N-dimethyl-N'-(3-(((methylamino)carbonyl)oxy)phenyl)-, hydrochloride (1:1)|Methanimidamide, N, N- dimethyl- N'- [3- [[(methylamino) carbonyl] oxy] phenyl] - , hydrochloride (1:1)|Methanimidamide, N,N-dimethyl-N'-[3-[[(methylamino)carbonyl]oxy]phenyl]-, monohydrochloride|Morton EP 332|N,N-Dimethyl-N'-(((methylamino)carbonyl)oxy)phenylmethanimidamide monohydrochloride|Nor-AM EP 332|NSC 379585|Schering 36056|UNII-W0Y3OP0N2Z|18413-17-7|26445-73-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032405
ERPathway2016 ERPathway2016_997 Formetanate hydrochloride 23422-53-9 DTXSID4032405 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CNC(=O)OC1=CC=CC(=C1)N=CN(C)C Formetanate hydrochloride 23422-53-9|Formetanate hydrochloride|3-{[(E)-(dimethylamino)methylidene]amino}phenyl methylcarbamate hydrochloride|3-Dimethylaminomethyleneiminophenyl-N-methylcarbamate, hydrochloride|Carbamic acid, methyl-, ester with N'-(m-hydroxyphenyl)-N,N-dimethylformamidine, monohydrochloride|Carzol|Carzol 92SP|Carzol SP|Caswell No. 465B|EC No.: 245-656-0|EINECS 245-656-0|EP 332|EPA Pesticide Chemical Code 097301|Formetanate HCl|formetanate hydrochloride|Formetanate monohydrochloride|m-[[(Dimethylamino)methylene]amino]phenyl methylcarbamate hydrochloride|Methanimidamide, N,N-dimethyl-N'-(3-(((methylamino)carbonyl)oxy)phenyl)-, hydrochloride (1:1)|Methanimidamide, N, N- dimethyl- N'- [3- [[(methylamino) carbonyl] oxy] phenyl] - , hydrochloride (1:1)|Methanimidamide, N,N-dimethyl-N'-[3-[[(methylamino)carbonyl]oxy]phenyl]-, monohydrochloride|Morton EP 332|N,N-Dimethyl-N'-(((methylamino)carbonyl)oxy)phenylmethanimidamide monohydrochloride|Nor-AM EP 332|NSC 379585|Schering 36056|UNII-W0Y3OP0N2Z|18413-17-7|26445-73-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032405
ERPathway2016 ERPathway2016_997 Formetanate hydrochloride 23422-53-9 DTXSID4032405 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CNC(=O)OC1=CC=CC(=C1)N=CN(C)C Formetanate hydrochloride 23422-53-9|Formetanate hydrochloride|3-{[(E)-(dimethylamino)methylidene]amino}phenyl methylcarbamate hydrochloride|3-Dimethylaminomethyleneiminophenyl-N-methylcarbamate, hydrochloride|Carbamic acid, methyl-, ester with N'-(m-hydroxyphenyl)-N,N-dimethylformamidine, monohydrochloride|Carzol|Carzol 92SP|Carzol SP|Caswell No. 465B|EC No.: 245-656-0|EINECS 245-656-0|EP 332|EPA Pesticide Chemical Code 097301|Formetanate HCl|formetanate hydrochloride|Formetanate monohydrochloride|m-[[(Dimethylamino)methylene]amino]phenyl methylcarbamate hydrochloride|Methanimidamide, N,N-dimethyl-N'-(3-(((methylamino)carbonyl)oxy)phenyl)-, hydrochloride (1:1)|Methanimidamide, N, N- dimethyl- N'- [3- [[(methylamino) carbonyl] oxy] phenyl] - , hydrochloride (1:1)|Methanimidamide, N,N-dimethyl-N'-[3-[[(methylamino)carbonyl]oxy]phenyl]-, monohydrochloride|Morton EP 332|N,N-Dimethyl-N'-(((methylamino)carbonyl)oxy)phenylmethanimidamide monohydrochloride|Nor-AM EP 332|NSC 379585|Schering 36056|UNII-W0Y3OP0N2Z|18413-17-7|26445-73-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032405
ERPathway2016 ERPathway2016_997 Formetanate hydrochloride 23422-53-9 DTXSID4032405 ER Pathway Model, Agonist Call Inactive Unitless Cl.CNC(=O)OC1=CC=CC(=C1)N=CN(C)C Formetanate hydrochloride 23422-53-9|Formetanate hydrochloride|3-{[(E)-(dimethylamino)methylidene]amino}phenyl methylcarbamate hydrochloride|3-Dimethylaminomethyleneiminophenyl-N-methylcarbamate, hydrochloride|Carbamic acid, methyl-, ester with N'-(m-hydroxyphenyl)-N,N-dimethylformamidine, monohydrochloride|Carzol|Carzol 92SP|Carzol SP|Caswell No. 465B|EC No.: 245-656-0|EINECS 245-656-0|EP 332|EPA Pesticide Chemical Code 097301|Formetanate HCl|formetanate hydrochloride|Formetanate monohydrochloride|m-[[(Dimethylamino)methylene]amino]phenyl methylcarbamate hydrochloride|Methanimidamide, N,N-dimethyl-N'-(3-(((methylamino)carbonyl)oxy)phenyl)-, hydrochloride (1:1)|Methanimidamide, N, N- dimethyl- N'- [3- [[(methylamino) carbonyl] oxy] phenyl] - , hydrochloride (1:1)|Methanimidamide, N,N-dimethyl-N'-[3-[[(methylamino)carbonyl]oxy]phenyl]-, monohydrochloride|Morton EP 332|N,N-Dimethyl-N'-(((methylamino)carbonyl)oxy)phenylmethanimidamide monohydrochloride|Nor-AM EP 332|NSC 379585|Schering 36056|UNII-W0Y3OP0N2Z|18413-17-7|26445-73-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032405
ERPathway2016 ERPathway2016_997 Formetanate hydrochloride 23422-53-9 DTXSID4032405 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CNC(=O)OC1=CC=CC(=C1)N=CN(C)C Formetanate hydrochloride 23422-53-9|Formetanate hydrochloride|3-{[(E)-(dimethylamino)methylidene]amino}phenyl methylcarbamate hydrochloride|3-Dimethylaminomethyleneiminophenyl-N-methylcarbamate, hydrochloride|Carbamic acid, methyl-, ester with N'-(m-hydroxyphenyl)-N,N-dimethylformamidine, monohydrochloride|Carzol|Carzol 92SP|Carzol SP|Caswell No. 465B|EC No.: 245-656-0|EINECS 245-656-0|EP 332|EPA Pesticide Chemical Code 097301|Formetanate HCl|formetanate hydrochloride|Formetanate monohydrochloride|m-[[(Dimethylamino)methylene]amino]phenyl methylcarbamate hydrochloride|Methanimidamide, N,N-dimethyl-N'-(3-(((methylamino)carbonyl)oxy)phenyl)-, hydrochloride (1:1)|Methanimidamide, N, N- dimethyl- N'- [3- [[(methylamino) carbonyl] oxy] phenyl] - , hydrochloride (1:1)|Methanimidamide, N,N-dimethyl-N'-[3-[[(methylamino)carbonyl]oxy]phenyl]-, monohydrochloride|Morton EP 332|N,N-Dimethyl-N'-(((methylamino)carbonyl)oxy)phenylmethanimidamide monohydrochloride|Nor-AM EP 332|NSC 379585|Schering 36056|UNII-W0Y3OP0N2Z|18413-17-7|26445-73-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032405
ARPathway2016 ARPathway2016_1464 Forskolin 66575-29-9 DTXSID8040484 FLAG: Wrong direction shift (Hit/Hit) -1.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12[C@H](O)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C Forskolin 66575-29-9|Forskolin|(-)-Forskolin|(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one|1H-Naphtho(2,1-b)pyran-1-one, dodecahydro-5-(acetyloxy)-3-ethenyl-3,4a,7,7,10a-pentameth yl-6,10,10b-trihydroxy-, (3R-(3-a,4a-b,5-b,6-b,6a-a,10-a,10a-bet a,10b-a))-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, [3R-(3a,4ab,5b,6b,6aa,10a,10ab,10ba)]-|7-beta-Acetoxy-8,13-epoxy-1-alpha,6-beta,9-alpha-trihydroxylabd-14-en-11-one|7beta-acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one|Boforsin|Coleonol|Coleonolk|Colforsin|colforsina|colforsine|Colforsinum|EINECS 266-410-9|Forskohlii Root Extract|ForsLean|HL 362|L 75-1362B|NSC 357088|NSC 375489|UNII-1F7A44V6OU|64657-11-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040484
ARPathway2016 ARPathway2016_1464 Forskolin 66575-29-9 DTXSID8040484 FLAG: Wrong direction shift (Hit/Hit) -1.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12[C@H](O)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C Forskolin 66575-29-9|Forskolin|(-)-Forskolin|(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one|1H-Naphtho(2,1-b)pyran-1-one, dodecahydro-5-(acetyloxy)-3-ethenyl-3,4a,7,7,10a-pentameth yl-6,10,10b-trihydroxy-, (3R-(3-a,4a-b,5-b,6-b,6a-a,10-a,10a-bet a,10b-a))-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, [3R-(3a,4ab,5b,6b,6aa,10a,10ab,10ba)]-|7-beta-Acetoxy-8,13-epoxy-1-alpha,6-beta,9-alpha-trihydroxylabd-14-en-11-one|7beta-acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one|Boforsin|Coleonol|Coleonolk|Colforsin|colforsina|colforsine|Colforsinum|EINECS 266-410-9|Forskohlii Root Extract|ForsLean|HL 362|L 75-1362B|NSC 357088|NSC 375489|UNII-1F7A44V6OU|64657-11-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040484
ARPathway2016 ARPathway2016_1464 Forskolin 66575-29-9 DTXSID8040484 FLAG: Wrong direction shift (Hit/Hit) -1.0 A11 AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12[C@H](O)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C Forskolin 66575-29-9|Forskolin|(-)-Forskolin|(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one|1H-Naphtho(2,1-b)pyran-1-one, dodecahydro-5-(acetyloxy)-3-ethenyl-3,4a,7,7,10a-pentameth yl-6,10,10b-trihydroxy-, (3R-(3-a,4a-b,5-b,6-b,6a-a,10-a,10a-bet a,10b-a))-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, [3R-(3a,4ab,5b,6b,6aa,10a,10ab,10ba)]-|7-beta-Acetoxy-8,13-epoxy-1-alpha,6-beta,9-alpha-trihydroxylabd-14-en-11-one|7beta-acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one|Boforsin|Coleonol|Coleonolk|Colforsin|colforsina|colforsine|Colforsinum|EINECS 266-410-9|Forskohlii Root Extract|ForsLean|HL 362|L 75-1362B|NSC 357088|NSC 375489|UNII-1F7A44V6OU|64657-11-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040484
ARPathway2016 ARPathway2016_1464 Forskolin 66575-29-9 DTXSID8040484 FLAG: Wrong direction shift (Hit/Hit) -1.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12[C@H](O)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C Forskolin 66575-29-9|Forskolin|(-)-Forskolin|(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one|1H-Naphtho(2,1-b)pyran-1-one, dodecahydro-5-(acetyloxy)-3-ethenyl-3,4a,7,7,10a-pentameth yl-6,10,10b-trihydroxy-, (3R-(3-a,4a-b,5-b,6-b,6a-a,10-a,10a-bet a,10b-a))-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, [3R-(3a,4ab,5b,6b,6aa,10a,10ab,10ba)]-|7-beta-Acetoxy-8,13-epoxy-1-alpha,6-beta,9-alpha-trihydroxylabd-14-en-11-one|7beta-acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one|Boforsin|Coleonol|Coleonolk|Colforsin|colforsina|colforsine|Colforsinum|EINECS 266-410-9|Forskohlii Root Extract|ForsLean|HL 362|L 75-1362B|NSC 357088|NSC 375489|UNII-1F7A44V6OU|64657-11-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040484
ERPathway2016 ERPathway2016_273 Forskolin 66575-29-9 DTXSID8040484 R8 ER Pathway Model, Antagonist AC50 1.71430226207048 uM [H][C@@]12[C@H](O)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C Forskolin 66575-29-9|Forskolin|(-)-Forskolin|(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one|1H-Naphtho(2,1-b)pyran-1-one, dodecahydro-5-(acetyloxy)-3-ethenyl-3,4a,7,7,10a-pentameth yl-6,10,10b-trihydroxy-, (3R-(3-a,4a-b,5-b,6-b,6a-a,10-a,10a-bet a,10b-a))-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, [3R-(3a,4ab,5b,6b,6aa,10a,10ab,10ba)]-|7-beta-Acetoxy-8,13-epoxy-1-alpha,6-beta,9-alpha-trihydroxylabd-14-en-11-one|7beta-acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one|Boforsin|Coleonol|Coleonolk|Colforsin|colforsina|colforsine|Colforsinum|EINECS 266-410-9|Forskohlii Root Extract|ForsLean|HL 362|L 75-1362B|NSC 357088|NSC 375489|UNII-1F7A44V6OU|64657-11-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040484
ERPathway2016 ERPathway2016_273 Forskolin 66575-29-9 DTXSID8040484 R8 ER Pathway Model, Antagonist ACC 2.99588310099602 uM [H][C@@]12[C@H](O)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C Forskolin 66575-29-9|Forskolin|(-)-Forskolin|(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one|1H-Naphtho(2,1-b)pyran-1-one, dodecahydro-5-(acetyloxy)-3-ethenyl-3,4a,7,7,10a-pentameth yl-6,10,10b-trihydroxy-, (3R-(3-a,4a-b,5-b,6-b,6a-a,10-a,10a-bet a,10b-a))-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, [3R-(3a,4ab,5b,6b,6aa,10a,10ab,10ba)]-|7-beta-Acetoxy-8,13-epoxy-1-alpha,6-beta,9-alpha-trihydroxylabd-14-en-11-one|7beta-acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one|Boforsin|Coleonol|Coleonolk|Colforsin|colforsina|colforsine|Colforsinum|EINECS 266-410-9|Forskohlii Root Extract|ForsLean|HL 362|L 75-1362B|NSC 357088|NSC 375489|UNII-1F7A44V6OU|64657-11-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040484
ERPathway2016 ERPathway2016_273 Forskolin 66575-29-9 DTXSID8040484 R8 ER Pathway Model, Agonist Model Score 0.0528 Unitless [H][C@@]12[C@H](O)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C Forskolin 66575-29-9|Forskolin|(-)-Forskolin|(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one|1H-Naphtho(2,1-b)pyran-1-one, dodecahydro-5-(acetyloxy)-3-ethenyl-3,4a,7,7,10a-pentameth yl-6,10,10b-trihydroxy-, (3R-(3-a,4a-b,5-b,6-b,6a-a,10-a,10a-bet a,10b-a))-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, [3R-(3a,4ab,5b,6b,6aa,10a,10ab,10ba)]-|7-beta-Acetoxy-8,13-epoxy-1-alpha,6-beta,9-alpha-trihydroxylabd-14-en-11-one|7beta-acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one|Boforsin|Coleonol|Coleonolk|Colforsin|colforsina|colforsine|Colforsinum|EINECS 266-410-9|Forskohlii Root Extract|ForsLean|HL 362|L 75-1362B|NSC 357088|NSC 375489|UNII-1F7A44V6OU|64657-11-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040484
ERPathway2016 ERPathway2016_273 Forskolin 66575-29-9 DTXSID8040484 R8 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12[C@H](O)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C Forskolin 66575-29-9|Forskolin|(-)-Forskolin|(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one|1H-Naphtho(2,1-b)pyran-1-one, dodecahydro-5-(acetyloxy)-3-ethenyl-3,4a,7,7,10a-pentameth yl-6,10,10b-trihydroxy-, (3R-(3-a,4a-b,5-b,6-b,6a-a,10-a,10a-bet a,10b-a))-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, [3R-(3a,4ab,5b,6b,6aa,10a,10ab,10ba)]-|7-beta-Acetoxy-8,13-epoxy-1-alpha,6-beta,9-alpha-trihydroxylabd-14-en-11-one|7beta-acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one|Boforsin|Coleonol|Coleonolk|Colforsin|colforsina|colforsine|Colforsinum|EINECS 266-410-9|Forskohlii Root Extract|ForsLean|HL 362|L 75-1362B|NSC 357088|NSC 375489|UNII-1F7A44V6OU|64657-11-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040484
ERPathway2016 ERPathway2016_273 Forskolin 66575-29-9 DTXSID8040484 R8 ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12[C@H](O)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C Forskolin 66575-29-9|Forskolin|(-)-Forskolin|(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one|1H-Naphtho(2,1-b)pyran-1-one, dodecahydro-5-(acetyloxy)-3-ethenyl-3,4a,7,7,10a-pentameth yl-6,10,10b-trihydroxy-, (3R-(3-a,4a-b,5-b,6-b,6a-a,10-a,10a-bet a,10b-a))-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, [3R-(3a,4ab,5b,6b,6aa,10a,10ab,10ba)]-|7-beta-Acetoxy-8,13-epoxy-1-alpha,6-beta,9-alpha-trihydroxylabd-14-en-11-one|7beta-acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one|Boforsin|Coleonol|Coleonolk|Colforsin|colforsina|colforsine|Colforsinum|EINECS 266-410-9|Forskohlii Root Extract|ForsLean|HL 362|L 75-1362B|NSC 357088|NSC 375489|UNII-1F7A44V6OU|64657-11-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040484
ERPathway2016 ERPathway2016_273 Forskolin 66575-29-9 DTXSID8040484 R8 ER Pathway Model, Antagonist Call Active Unitless [H][C@@]12[C@H](O)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C Forskolin 66575-29-9|Forskolin|(-)-Forskolin|(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one|1H-Naphtho(2,1-b)pyran-1-one, dodecahydro-5-(acetyloxy)-3-ethenyl-3,4a,7,7,10a-pentameth yl-6,10,10b-trihydroxy-, (3R-(3-a,4a-b,5-b,6-b,6a-a,10-a,10a-bet a,10b-a))-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-|1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, [3R-(3a,4ab,5b,6b,6aa,10a,10ab,10ba)]-|7-beta-Acetoxy-8,13-epoxy-1-alpha,6-beta,9-alpha-trihydroxylabd-14-en-11-one|7beta-acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one|Boforsin|Coleonol|Coleonolk|Colforsin|colforsina|colforsine|Colforsinum|EINECS 266-410-9|Forskohlii Root Extract|ForsLean|HL 362|L 75-1362B|NSC 357088|NSC 375489|UNII-1F7A44V6OU|64657-11-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040484
ARPathway2016 ARPathway2016_1807 Fosthiazate 98886-44-3 DTXSID0034930 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOP(=O)(SC(C)CC)N1CCSC1=O Fosthiazate 98886-44-3|Fosthiazate|(RS)-S-sec-butyl-O-ethyl-2-oxo-1,3-thiazolidin-3-ylphosphonothioate|619-377-3|EC No.: 619-377-3|Nemathorin|O-Ethyl S-(1-methylpropyl) (2-oxo-3-thiazolidinyl)phosphonothioate|Phosphonothioic acid, (2-oxo-3-thiazolidinyl)-, O-ethyl S-(1-methylpropyl) ester|S-sec-butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate|S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidine-3-yl)phosphonothioate|S-sec-Butyl O-ethyl (2-oxo-3-thiazolidinyl)phosphonothioate)|UNII-96QJ4O095U https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034930
ARPathway2016 ARPathway2016_1807 Fosthiazate 98886-44-3 DTXSID0034930 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=O)(SC(C)CC)N1CCSC1=O Fosthiazate 98886-44-3|Fosthiazate|(RS)-S-sec-butyl-O-ethyl-2-oxo-1,3-thiazolidin-3-ylphosphonothioate|619-377-3|EC No.: 619-377-3|Nemathorin|O-Ethyl S-(1-methylpropyl) (2-oxo-3-thiazolidinyl)phosphonothioate|Phosphonothioic acid, (2-oxo-3-thiazolidinyl)-, O-ethyl S-(1-methylpropyl) ester|S-sec-butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate|S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidine-3-yl)phosphonothioate|S-sec-Butyl O-ethyl (2-oxo-3-thiazolidinyl)phosphonothioate)|UNII-96QJ4O095U https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034930
ARPathway2016 ARPathway2016_1807 Fosthiazate 98886-44-3 DTXSID0034930 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOP(=O)(SC(C)CC)N1CCSC1=O Fosthiazate 98886-44-3|Fosthiazate|(RS)-S-sec-butyl-O-ethyl-2-oxo-1,3-thiazolidin-3-ylphosphonothioate|619-377-3|EC No.: 619-377-3|Nemathorin|O-Ethyl S-(1-methylpropyl) (2-oxo-3-thiazolidinyl)phosphonothioate|Phosphonothioic acid, (2-oxo-3-thiazolidinyl)-, O-ethyl S-(1-methylpropyl) ester|S-sec-butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate|S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidine-3-yl)phosphonothioate|S-sec-Butyl O-ethyl (2-oxo-3-thiazolidinyl)phosphonothioate)|UNII-96QJ4O095U https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034930
ARPathway2016 ARPathway2016_1807 Fosthiazate 98886-44-3 DTXSID0034930 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=O)(SC(C)CC)N1CCSC1=O Fosthiazate 98886-44-3|Fosthiazate|(RS)-S-sec-butyl-O-ethyl-2-oxo-1,3-thiazolidin-3-ylphosphonothioate|619-377-3|EC No.: 619-377-3|Nemathorin|O-Ethyl S-(1-methylpropyl) (2-oxo-3-thiazolidinyl)phosphonothioate|Phosphonothioic acid, (2-oxo-3-thiazolidinyl)-, O-ethyl S-(1-methylpropyl) ester|S-sec-butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate|S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidine-3-yl)phosphonothioate|S-sec-Butyl O-ethyl (2-oxo-3-thiazolidinyl)phosphonothioate)|UNII-96QJ4O095U https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034930
ERPathway2016 ERPathway2016_817 Fosthiazate 98886-44-3 DTXSID0034930 A13 ER Pathway Model, Agonist Model Score 0 Unitless CCOP(=O)(SC(C)CC)N1CCSC1=O Fosthiazate 98886-44-3|Fosthiazate|(RS)-S-sec-butyl-O-ethyl-2-oxo-1,3-thiazolidin-3-ylphosphonothioate|619-377-3|EC No.: 619-377-3|Nemathorin|O-Ethyl S-(1-methylpropyl) (2-oxo-3-thiazolidinyl)phosphonothioate|Phosphonothioic acid, (2-oxo-3-thiazolidinyl)-, O-ethyl S-(1-methylpropyl) ester|S-sec-butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate|S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidine-3-yl)phosphonothioate|S-sec-Butyl O-ethyl (2-oxo-3-thiazolidinyl)phosphonothioate)|UNII-96QJ4O095U https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034930
ERPathway2016 ERPathway2016_817 Fosthiazate 98886-44-3 DTXSID0034930 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=O)(SC(C)CC)N1CCSC1=O Fosthiazate 98886-44-3|Fosthiazate|(RS)-S-sec-butyl-O-ethyl-2-oxo-1,3-thiazolidin-3-ylphosphonothioate|619-377-3|EC No.: 619-377-3|Nemathorin|O-Ethyl S-(1-methylpropyl) (2-oxo-3-thiazolidinyl)phosphonothioate|Phosphonothioic acid, (2-oxo-3-thiazolidinyl)-, O-ethyl S-(1-methylpropyl) ester|S-sec-butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate|S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidine-3-yl)phosphonothioate|S-sec-Butyl O-ethyl (2-oxo-3-thiazolidinyl)phosphonothioate)|UNII-96QJ4O095U https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034930
ERPathway2016 ERPathway2016_817 Fosthiazate 98886-44-3 DTXSID0034930 A13 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=O)(SC(C)CC)N1CCSC1=O Fosthiazate 98886-44-3|Fosthiazate|(RS)-S-sec-butyl-O-ethyl-2-oxo-1,3-thiazolidin-3-ylphosphonothioate|619-377-3|EC No.: 619-377-3|Nemathorin|O-Ethyl S-(1-methylpropyl) (2-oxo-3-thiazolidinyl)phosphonothioate|Phosphonothioic acid, (2-oxo-3-thiazolidinyl)-, O-ethyl S-(1-methylpropyl) ester|S-sec-butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate|S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidine-3-yl)phosphonothioate|S-sec-Butyl O-ethyl (2-oxo-3-thiazolidinyl)phosphonothioate)|UNII-96QJ4O095U https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034930
ERPathway2016 ERPathway2016_817 Fosthiazate 98886-44-3 DTXSID0034930 A13 ER Pathway Model, Antagonist Call Inactive Unitless CCOP(=O)(SC(C)CC)N1CCSC1=O Fosthiazate 98886-44-3|Fosthiazate|(RS)-S-sec-butyl-O-ethyl-2-oxo-1,3-thiazolidin-3-ylphosphonothioate|619-377-3|EC No.: 619-377-3|Nemathorin|O-Ethyl S-(1-methylpropyl) (2-oxo-3-thiazolidinyl)phosphonothioate|Phosphonothioic acid, (2-oxo-3-thiazolidinyl)-, O-ethyl S-(1-methylpropyl) ester|S-sec-butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate|S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidine-3-yl)phosphonothioate|S-sec-Butyl O-ethyl (2-oxo-3-thiazolidinyl)phosphonothioate)|UNII-96QJ4O095U https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034930
ARPathway2016 ARPathway2016_815 FR 409 138472-01-2 DTXSID2048167 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(=C/C(=NO)/C(N)=O)C(C)[N+]([O-])=O FR 409 138472-01-2|FR 409|(2E,3E)-4-Ethyl-2-(hydroxyimino)-5-nitro-3-hexenamide|3-Hexenamide, 4-ethyl-2-(hydroxyimino)-5-nitro-, (2E,3E)-|3-Hexenamide, 4-ethyl-2-(hydroxyimino)-5-nitro-, (E,E)-|3-Hexenamide, 4-ethyl-2-(hydroxyimino)-5-nitro-, (E,E)-(+/-)-|FR900409|NOR 3|163180-49-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2048167
ARPathway2016 ARPathway2016_815 FR 409 138472-01-2 DTXSID2048167 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC(=C/C(=NO)/C(N)=O)C(C)[N+]([O-])=O FR 409 138472-01-2|FR 409|(2E,3E)-4-Ethyl-2-(hydroxyimino)-5-nitro-3-hexenamide|3-Hexenamide, 4-ethyl-2-(hydroxyimino)-5-nitro-, (2E,3E)-|3-Hexenamide, 4-ethyl-2-(hydroxyimino)-5-nitro-, (E,E)-|3-Hexenamide, 4-ethyl-2-(hydroxyimino)-5-nitro-, (E,E)-(+/-)-|FR900409|NOR 3|163180-49-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2048167
ARPathway2016 ARPathway2016_815 FR 409 138472-01-2 DTXSID2048167 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC(=C/C(=NO)/C(N)=O)C(C)[N+]([O-])=O FR 409 138472-01-2|FR 409|(2E,3E)-4-Ethyl-2-(hydroxyimino)-5-nitro-3-hexenamide|3-Hexenamide, 4-ethyl-2-(hydroxyimino)-5-nitro-, (2E,3E)-|3-Hexenamide, 4-ethyl-2-(hydroxyimino)-5-nitro-, (E,E)-|3-Hexenamide, 4-ethyl-2-(hydroxyimino)-5-nitro-, (E,E)-(+/-)-|FR900409|NOR 3|163180-49-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2048167
ARPathway2016 ARPathway2016_815 FR 409 138472-01-2 DTXSID2048167 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC(=C/C(=NO)/C(N)=O)C(C)[N+]([O-])=O FR 409 138472-01-2|FR 409|(2E,3E)-4-Ethyl-2-(hydroxyimino)-5-nitro-3-hexenamide|3-Hexenamide, 4-ethyl-2-(hydroxyimino)-5-nitro-, (2E,3E)-|3-Hexenamide, 4-ethyl-2-(hydroxyimino)-5-nitro-, (E,E)-|3-Hexenamide, 4-ethyl-2-(hydroxyimino)-5-nitro-, (E,E)-(+/-)-|FR900409|NOR 3|163180-49-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2048167
ARPathway2016 ARPathway2016_803 FR130739 136042-19-8 DTXSID1048178 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCC1=NC2=CC=CN=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=N[N-]1 FR130739 136042-19-8|FR130739|3H-Imidazo[4,5-b]pyridine, 2-butyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, sodium salt|3H- Imidazo[4, 5- b] pyridine, 2- butyl- 3- [[2'- (2H- tetrazol- 5- yl) [1, 1'- biphenyl] - 4- yl] methyl] - , sodium salt (1:1)|FK 739|FK-739|FK739|FR-130739|Sodium 5-(4'-((2-butyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)[biphenyl]-2-yl)tetrazol-1-ide|UNII-6586Y37C8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048178
ARPathway2016 ARPathway2016_803 FR130739 136042-19-8 DTXSID1048178 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCC1=NC2=CC=CN=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=N[N-]1 FR130739 136042-19-8|FR130739|3H-Imidazo[4,5-b]pyridine, 2-butyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, sodium salt|3H- Imidazo[4, 5- b] pyridine, 2- butyl- 3- [[2'- (2H- tetrazol- 5- yl) [1, 1'- biphenyl] - 4- yl] methyl] - , sodium salt (1:1)|FK 739|FK-739|FK739|FR-130739|Sodium 5-(4'-((2-butyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)[biphenyl]-2-yl)tetrazol-1-ide|UNII-6586Y37C8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048178
ARPathway2016 ARPathway2016_803 FR130739 136042-19-8 DTXSID1048178 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCC1=NC2=CC=CN=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=N[N-]1 FR130739 136042-19-8|FR130739|3H-Imidazo[4,5-b]pyridine, 2-butyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, sodium salt|3H- Imidazo[4, 5- b] pyridine, 2- butyl- 3- [[2'- (2H- tetrazol- 5- yl) [1, 1'- biphenyl] - 4- yl] methyl] - , sodium salt (1:1)|FK 739|FK-739|FK739|FR-130739|Sodium 5-(4'-((2-butyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)[biphenyl]-2-yl)tetrazol-1-ide|UNII-6586Y37C8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048178
ARPathway2016 ARPathway2016_803 FR130739 136042-19-8 DTXSID1048178 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCC1=NC2=CC=CN=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=N[N-]1 FR130739 136042-19-8|FR130739|3H-Imidazo[4,5-b]pyridine, 2-butyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, sodium salt|3H- Imidazo[4, 5- b] pyridine, 2- butyl- 3- [[2'- (2H- tetrazol- 5- yl) [1, 1'- biphenyl] - 4- yl] methyl] - , sodium salt (1:1)|FK 739|FK-739|FK739|FR-130739|Sodium 5-(4'-((2-butyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)[biphenyl]-2-yl)tetrazol-1-ide|UNII-6586Y37C8H https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048178
ARPathway2016 ARPathway2016_863 FR145237 146011-65-6 DTXSID6048171 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC2=C(OC(CN(CC3=CC=CC=C3)C(=O)NC3=C(F)C=C(F)C=C3F)=C2C2=CC=C(Cl)C=C2)C=C1 FR145237 146011-65-6|FR145237 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048171
ARPathway2016 ARPathway2016_863 FR145237 146011-65-6 DTXSID6048171 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC2=C(OC(CN(CC3=CC=CC=C3)C(=O)NC3=C(F)C=C(F)C=C3F)=C2C2=CC=C(Cl)C=C2)C=C1 FR145237 146011-65-6|FR145237 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048171
ARPathway2016 ARPathway2016_863 FR145237 146011-65-6 DTXSID6048171 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC2=C(OC(CN(CC3=CC=CC=C3)C(=O)NC3=C(F)C=C(F)C=C3F)=C2C2=CC=C(Cl)C=C2)C=C1 FR145237 146011-65-6|FR145237 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048171
ARPathway2016 ARPathway2016_863 FR145237 146011-65-6 DTXSID6048171 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC2=C(OC(CN(CC3=CC=CC=C3)C(=O)NC3=C(F)C=C(F)C=C3F)=C2C2=CC=C(Cl)C=C2)C=C1 FR145237 146011-65-6|FR145237 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048171
ARPathway2016 ARPathway2016_80 FR150011 149413-74-1 DTXSID1048170 FLAG: Wrong direction (Hit/No hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 26.6255123500813 uM CC(C)(C)C1=CSC(=N1)C1=CC2=C(O1)C=CC(OCC1=CC=CC=C1CC(O)=O)=C2 FR150011 149413-74-1|FR150011 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048170
ARPathway2016 ARPathway2016_80 FR150011 149413-74-1 DTXSID1048170 FLAG: Wrong direction (Hit/No hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 29.85608776 uM CC(C)(C)C1=CSC(=N1)C1=CC2=C(O1)C=CC(OCC1=CC=CC=C1CC(O)=O)=C2 FR150011 149413-74-1|FR150011 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048170
ARPathway2016 ARPathway2016_80 FR150011 149413-74-1 DTXSID1048170 FLAG: Wrong direction (Hit/No hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.134 Unitless CC(C)(C)C1=CSC(=N1)C1=CC2=C(O1)C=CC(OCC1=CC=CC=C1CC(O)=O)=C2 FR150011 149413-74-1|FR150011 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048170
ARPathway2016 ARPathway2016_80 FR150011 149413-74-1 DTXSID1048170 FLAG: Wrong direction (Hit/No hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CSC(=N1)C1=CC2=C(O1)C=CC(OCC1=CC=CC=C1CC(O)=O)=C2 FR150011 149413-74-1|FR150011 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048170
ARPathway2016 ARPathway2016_80 FR150011 149413-74-1 DTXSID1048170 FLAG: Wrong direction (Hit/No hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)(C)C1=CSC(=N1)C1=CC2=C(O1)C=CC(OCC1=CC=CC=C1CC(O)=O)=C2 FR150011 149413-74-1|FR150011 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048170
ARPathway2016 ARPathway2016_80 FR150011 149413-74-1 DTXSID1048170 FLAG: Wrong direction (Hit/No hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CSC(=N1)C1=CC2=C(O1)C=CC(OCC1=CC=CC=C1CC(O)=O)=C2 FR150011 149413-74-1|FR150011 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048170
ARPathway2016 ARPathway2016_91 FR167356 174185-16-1 DTXSID1048174 True antagonist shift (No hit/Hit) 3.0 A10 AR Pathway Model, Agonist AC50 41.0190648765664 uM CC1=C(C2=C(O1)C(NC(=O)C1=C(Cl)C=CC=C1Cl)=CC=C2)C(C)(C)O FR167356 174185-16-1|FR167356|Benzamide, 2,6-dichloro-N-(3-(1-hydroxy-1-methylethyl)-2-methyl-7-benzofuranyl)-|UNII-XF02B1HC8R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048174
ARPathway2016 ARPathway2016_91 FR167356 174185-16-1 DTXSID1048174 True antagonist shift (No hit/Hit) 3.0 A10 AR Pathway Model, Agonist ACC 48.2055881594429 uM CC1=C(C2=C(O1)C(NC(=O)C1=C(Cl)C=CC=C1Cl)=CC=C2)C(C)(C)O FR167356 174185-16-1|FR167356|Benzamide, 2,6-dichloro-N-(3-(1-hydroxy-1-methylethyl)-2-methyl-7-benzofuranyl)-|UNII-XF02B1HC8R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048174
ARPathway2016 ARPathway2016_91 FR167356 174185-16-1 DTXSID1048174 True antagonist shift (No hit/Hit) 3.0 A10 AR Pathway Model, Antagonist Model Score 0.0318 Unitless CC1=C(C2=C(O1)C(NC(=O)C1=C(Cl)C=CC=C1Cl)=CC=C2)C(C)(C)O FR167356 174185-16-1|FR167356|Benzamide, 2,6-dichloro-N-(3-(1-hydroxy-1-methylethyl)-2-methyl-7-benzofuranyl)-|UNII-XF02B1HC8R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048174
ARPathway2016 ARPathway2016_91 FR167356 174185-16-1 DTXSID1048174 True antagonist shift (No hit/Hit) 3.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(C2=C(O1)C(NC(=O)C1=C(Cl)C=CC=C1Cl)=CC=C2)C(C)(C)O FR167356 174185-16-1|FR167356|Benzamide, 2,6-dichloro-N-(3-(1-hydroxy-1-methylethyl)-2-methyl-7-benzofuranyl)-|UNII-XF02B1HC8R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048174
ARPathway2016 ARPathway2016_91 FR167356 174185-16-1 DTXSID1048174 True antagonist shift (No hit/Hit) 3.0 A10 AR Pathway Model, Agonist Call Active Unitless CC1=C(C2=C(O1)C(NC(=O)C1=C(Cl)C=CC=C1Cl)=CC=C2)C(C)(C)O FR167356 174185-16-1|FR167356|Benzamide, 2,6-dichloro-N-(3-(1-hydroxy-1-methylethyl)-2-methyl-7-benzofuranyl)-|UNII-XF02B1HC8R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048174
ARPathway2016 ARPathway2016_91 FR167356 174185-16-1 DTXSID1048174 True antagonist shift (No hit/Hit) 3.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(C2=C(O1)C(NC(=O)C1=C(Cl)C=CC=C1Cl)=CC=C2)C(C)(C)O FR167356 174185-16-1|FR167356|Benzamide, 2,6-dichloro-N-(3-(1-hydroxy-1-methylethyl)-2-methyl-7-benzofuranyl)-|UNII-XF02B1HC8R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048174
ARPathway2016 ARPathway2016_50 Fulvestrant 129453-61-8 DTXSID4022369 1.0 Antagonist AR Pathway Model, Agonist AC50 13.0625135507728 uM [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H])C=C(O)C=C3 Fulvestrant 129453-61-8|Fulvestrant|(7alpha,17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol|(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol|Estra-1,3,5(10)-triene-3,17-diol, 7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-, (7alpha,17beta)-|Faslodex|ICI 182-780|ICI 182780|UNII-22X328QOC4|ZD 182780|ZD 9238|ZM 182780|1942815-77-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022369
ARPathway2016 ARPathway2016_50 Fulvestrant 129453-61-8 DTXSID4022369 1.0 Antagonist AR Pathway Model, Agonist ACC 12.73685058 uM [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H])C=C(O)C=C3 Fulvestrant 129453-61-8|Fulvestrant|(7alpha,17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol|(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol|Estra-1,3,5(10)-triene-3,17-diol, 7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-, (7alpha,17beta)-|Faslodex|ICI 182-780|ICI 182780|UNII-22X328QOC4|ZD 182780|ZD 9238|ZM 182780|1942815-77-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022369
ARPathway2016 ARPathway2016_50 Fulvestrant 129453-61-8 DTXSID4022369 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0997 Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H])C=C(O)C=C3 Fulvestrant 129453-61-8|Fulvestrant|(7alpha,17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol|(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol|Estra-1,3,5(10)-triene-3,17-diol, 7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-, (7alpha,17beta)-|Faslodex|ICI 182-780|ICI 182780|UNII-22X328QOC4|ZD 182780|ZD 9238|ZM 182780|1942815-77-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022369
ARPathway2016 ARPathway2016_50 Fulvestrant 129453-61-8 DTXSID4022369 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H])C=C(O)C=C3 Fulvestrant 129453-61-8|Fulvestrant|(7alpha,17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol|(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol|Estra-1,3,5(10)-triene-3,17-diol, 7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-, (7alpha,17beta)-|Faslodex|ICI 182-780|ICI 182780|UNII-22X328QOC4|ZD 182780|ZD 9238|ZM 182780|1942815-77-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022369
ARPathway2016 ARPathway2016_50 Fulvestrant 129453-61-8 DTXSID4022369 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H])C=C(O)C=C3 Fulvestrant 129453-61-8|Fulvestrant|(7alpha,17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol|(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol|Estra-1,3,5(10)-triene-3,17-diol, 7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-, (7alpha,17beta)-|Faslodex|ICI 182-780|ICI 182780|UNII-22X328QOC4|ZD 182780|ZD 9238|ZM 182780|1942815-77-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022369
ARPathway2016 ARPathway2016_50 Fulvestrant 129453-61-8 DTXSID4022369 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H])C=C(O)C=C3 Fulvestrant 129453-61-8|Fulvestrant|(7alpha,17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol|(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol|Estra-1,3,5(10)-triene-3,17-diol, 7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-, (7alpha,17beta)-|Faslodex|ICI 182-780|ICI 182780|UNII-22X328QOC4|ZD 182780|ZD 9238|ZM 182780|1942815-77-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022369
ERPathway2016 ERPathway2016_97 Fulvestrant 129453-61-8 DTXSID4022369 Antagonist ER Pathway Model, Agonist AC50 0.0391115916819465 uM [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H])C=C(O)C=C3 Fulvestrant 129453-61-8|Fulvestrant|(7alpha,17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol|(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol|Estra-1,3,5(10)-triene-3,17-diol, 7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-, (7alpha,17beta)-|Faslodex|ICI 182-780|ICI 182780|UNII-22X328QOC4|ZD 182780|ZD 9238|ZM 182780|1942815-77-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022369
ERPathway2016 ERPathway2016_97 Fulvestrant 129453-61-8 DTXSID4022369 Antagonist ER Pathway Model, Agonist ACC 0.00954991606781823 uM [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H])C=C(O)C=C3 Fulvestrant 129453-61-8|Fulvestrant|(7alpha,17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol|(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol|Estra-1,3,5(10)-triene-3,17-diol, 7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-, (7alpha,17beta)-|Faslodex|ICI 182-780|ICI 182780|UNII-22X328QOC4|ZD 182780|ZD 9238|ZM 182780|1942815-77-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022369
ERPathway2016 ERPathway2016_97 Fulvestrant 129453-61-8 DTXSID4022369 Antagonist ER Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H])C=C(O)C=C3 Fulvestrant 129453-61-8|Fulvestrant|(7alpha,17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol|(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol|Estra-1,3,5(10)-triene-3,17-diol, 7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-, (7alpha,17beta)-|Faslodex|ICI 182-780|ICI 182780|UNII-22X328QOC4|ZD 182780|ZD 9238|ZM 182780|1942815-77-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022369
ERPathway2016 ERPathway2016_97 Fulvestrant 129453-61-8 DTXSID4022369 Antagonist ER Pathway Model, Antagonist Model Score 0.635 Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H])C=C(O)C=C3 Fulvestrant 129453-61-8|Fulvestrant|(7alpha,17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol|(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol|Estra-1,3,5(10)-triene-3,17-diol, 7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-, (7alpha,17beta)-|Faslodex|ICI 182-780|ICI 182780|UNII-22X328QOC4|ZD 182780|ZD 9238|ZM 182780|1942815-77-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022369
ERPathway2016 ERPathway2016_97 Fulvestrant 129453-61-8 DTXSID4022369 Antagonist ER Pathway Model, Agonist Call Active Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H])C=C(O)C=C3 Fulvestrant 129453-61-8|Fulvestrant|(7alpha,17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol|(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol|Estra-1,3,5(10)-triene-3,17-diol, 7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-, (7alpha,17beta)-|Faslodex|ICI 182-780|ICI 182780|UNII-22X328QOC4|ZD 182780|ZD 9238|ZM 182780|1942815-77-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022369
ERPathway2016 ERPathway2016_97 Fulvestrant 129453-61-8 DTXSID4022369 Antagonist ER Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H])C=C(O)C=C3 Fulvestrant 129453-61-8|Fulvestrant|(7alpha,17beta)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol|(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol|Estra-1,3,5(10)-triene-3,17-diol, 7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-, (7alpha,17beta)-|Faslodex|ICI 182-780|ICI 182780|UNII-22X328QOC4|ZD 182780|ZD 9238|ZM 182780|1942815-77-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022369
ARPathway2016 ARPathway2016_538 Fumaric acid 110-17-8 DTXSID3021518 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C=CC(O)=O Fumaric acid 110-17-8|Fumaric acid|(2E)-2-Butenedioic acid|(2E)-But-2-enedioate|(2E)-But-2-enedioic acid|(E)-2-Butenedioate|(E)-2-Butenedioic acid|1,2-Ethenedicarboxylic acid, trans-|2-(E)-Butenedioate|2-(E)-Butenedioic acid|2-Butenedioic acid (2E)-|2-Butenedioic acid (E)-|2-Butenedioic acid, (E)-|4-02-00-02202|Acide fumarique|acido fumarico|Allomaleate|Allomaleic acid|Allomalenic acid|Bakeshure 451|Bakeshure 470|Boletate|Boletic acid|BRN 0605763|but-2-enedioic acid|Butenedioic acid, (E)-|Caswell No. 465E|E297|EINECS 203-743-0|EPA Pesticide Chemical Code 051201|FC 33|FEMA No. 2488|FEMA Number 2488|Fumarate|Fumaricum acidum|FUMARSAEURE|Fumarsaure|Kyselina fumarova|Lichenate|Lichenic acid|NSC 2752|NSC-2752|Sodium fumarate|trans-1,2-Ethylenedicarboxylate|trans-1,2-Ethylenedicarboxylic acid|trans-2-Butenedioate|trans-2-Butenedioic acid|trans-but-2-enedioic acid|trans-Butenedioate|trans-Butenedioic acid|Tumaric acid|UNII-88XHZ13131|USAF EK-P-583|623158-97-4|909873-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021518 https://doi.org/10.22427/NTP-DATA-DTXSID3021518
ARPathway2016 ARPathway2016_538 Fumaric acid 110-17-8 DTXSID3021518 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C=CC(O)=O Fumaric acid 110-17-8|Fumaric acid|(2E)-2-Butenedioic acid|(2E)-But-2-enedioate|(2E)-But-2-enedioic acid|(E)-2-Butenedioate|(E)-2-Butenedioic acid|1,2-Ethenedicarboxylic acid, trans-|2-(E)-Butenedioate|2-(E)-Butenedioic acid|2-Butenedioic acid (2E)-|2-Butenedioic acid (E)-|2-Butenedioic acid, (E)-|4-02-00-02202|Acide fumarique|acido fumarico|Allomaleate|Allomaleic acid|Allomalenic acid|Bakeshure 451|Bakeshure 470|Boletate|Boletic acid|BRN 0605763|but-2-enedioic acid|Butenedioic acid, (E)-|Caswell No. 465E|E297|EINECS 203-743-0|EPA Pesticide Chemical Code 051201|FC 33|FEMA No. 2488|FEMA Number 2488|Fumarate|Fumaricum acidum|FUMARSAEURE|Fumarsaure|Kyselina fumarova|Lichenate|Lichenic acid|NSC 2752|NSC-2752|Sodium fumarate|trans-1,2-Ethylenedicarboxylate|trans-1,2-Ethylenedicarboxylic acid|trans-2-Butenedioate|trans-2-Butenedioic acid|trans-but-2-enedioic acid|trans-Butenedioate|trans-Butenedioic acid|Tumaric acid|UNII-88XHZ13131|USAF EK-P-583|623158-97-4|909873-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021518 https://doi.org/10.22427/NTP-DATA-DTXSID3021518
ARPathway2016 ARPathway2016_538 Fumaric acid 110-17-8 DTXSID3021518 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C=CC(O)=O Fumaric acid 110-17-8|Fumaric acid|(2E)-2-Butenedioic acid|(2E)-But-2-enedioate|(2E)-But-2-enedioic acid|(E)-2-Butenedioate|(E)-2-Butenedioic acid|1,2-Ethenedicarboxylic acid, trans-|2-(E)-Butenedioate|2-(E)-Butenedioic acid|2-Butenedioic acid (2E)-|2-Butenedioic acid (E)-|2-Butenedioic acid, (E)-|4-02-00-02202|Acide fumarique|acido fumarico|Allomaleate|Allomaleic acid|Allomalenic acid|Bakeshure 451|Bakeshure 470|Boletate|Boletic acid|BRN 0605763|but-2-enedioic acid|Butenedioic acid, (E)-|Caswell No. 465E|E297|EINECS 203-743-0|EPA Pesticide Chemical Code 051201|FC 33|FEMA No. 2488|FEMA Number 2488|Fumarate|Fumaricum acidum|FUMARSAEURE|Fumarsaure|Kyselina fumarova|Lichenate|Lichenic acid|NSC 2752|NSC-2752|Sodium fumarate|trans-1,2-Ethylenedicarboxylate|trans-1,2-Ethylenedicarboxylic acid|trans-2-Butenedioate|trans-2-Butenedioic acid|trans-but-2-enedioic acid|trans-Butenedioate|trans-Butenedioic acid|Tumaric acid|UNII-88XHZ13131|USAF EK-P-583|623158-97-4|909873-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021518 https://doi.org/10.22427/NTP-DATA-DTXSID3021518
ARPathway2016 ARPathway2016_538 Fumaric acid 110-17-8 DTXSID3021518 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C=CC(O)=O Fumaric acid 110-17-8|Fumaric acid|(2E)-2-Butenedioic acid|(2E)-But-2-enedioate|(2E)-But-2-enedioic acid|(E)-2-Butenedioate|(E)-2-Butenedioic acid|1,2-Ethenedicarboxylic acid, trans-|2-(E)-Butenedioate|2-(E)-Butenedioic acid|2-Butenedioic acid (2E)-|2-Butenedioic acid (E)-|2-Butenedioic acid, (E)-|4-02-00-02202|Acide fumarique|acido fumarico|Allomaleate|Allomaleic acid|Allomalenic acid|Bakeshure 451|Bakeshure 470|Boletate|Boletic acid|BRN 0605763|but-2-enedioic acid|Butenedioic acid, (E)-|Caswell No. 465E|E297|EINECS 203-743-0|EPA Pesticide Chemical Code 051201|FC 33|FEMA No. 2488|FEMA Number 2488|Fumarate|Fumaricum acidum|FUMARSAEURE|Fumarsaure|Kyselina fumarova|Lichenate|Lichenic acid|NSC 2752|NSC-2752|Sodium fumarate|trans-1,2-Ethylenedicarboxylate|trans-1,2-Ethylenedicarboxylic acid|trans-2-Butenedioate|trans-2-Butenedioic acid|trans-but-2-enedioic acid|trans-Butenedioate|trans-Butenedioic acid|Tumaric acid|UNII-88XHZ13131|USAF EK-P-583|623158-97-4|909873-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021518 https://doi.org/10.22427/NTP-DATA-DTXSID3021518
ERPathway2016 ERPathway2016_1131 Fumaric acid 110-17-8 DTXSID3021518 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C=CC(O)=O Fumaric acid 110-17-8|Fumaric acid|(2E)-2-Butenedioic acid|(2E)-But-2-enedioate|(2E)-But-2-enedioic acid|(E)-2-Butenedioate|(E)-2-Butenedioic acid|1,2-Ethenedicarboxylic acid, trans-|2-(E)-Butenedioate|2-(E)-Butenedioic acid|2-Butenedioic acid (2E)-|2-Butenedioic acid (E)-|2-Butenedioic acid, (E)-|4-02-00-02202|Acide fumarique|acido fumarico|Allomaleate|Allomaleic acid|Allomalenic acid|Bakeshure 451|Bakeshure 470|Boletate|Boletic acid|BRN 0605763|but-2-enedioic acid|Butenedioic acid, (E)-|Caswell No. 465E|E297|EINECS 203-743-0|EPA Pesticide Chemical Code 051201|FC 33|FEMA No. 2488|FEMA Number 2488|Fumarate|Fumaricum acidum|FUMARSAEURE|Fumarsaure|Kyselina fumarova|Lichenate|Lichenic acid|NSC 2752|NSC-2752|Sodium fumarate|trans-1,2-Ethylenedicarboxylate|trans-1,2-Ethylenedicarboxylic acid|trans-2-Butenedioate|trans-2-Butenedioic acid|trans-but-2-enedioic acid|trans-Butenedioate|trans-Butenedioic acid|Tumaric acid|UNII-88XHZ13131|USAF EK-P-583|623158-97-4|909873-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021518 https://doi.org/10.22427/NTP-DATA-DTXSID3021518
ERPathway2016 ERPathway2016_1131 Fumaric acid 110-17-8 DTXSID3021518 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C=CC(O)=O Fumaric acid 110-17-8|Fumaric acid|(2E)-2-Butenedioic acid|(2E)-But-2-enedioate|(2E)-But-2-enedioic acid|(E)-2-Butenedioate|(E)-2-Butenedioic acid|1,2-Ethenedicarboxylic acid, trans-|2-(E)-Butenedioate|2-(E)-Butenedioic acid|2-Butenedioic acid (2E)-|2-Butenedioic acid (E)-|2-Butenedioic acid, (E)-|4-02-00-02202|Acide fumarique|acido fumarico|Allomaleate|Allomaleic acid|Allomalenic acid|Bakeshure 451|Bakeshure 470|Boletate|Boletic acid|BRN 0605763|but-2-enedioic acid|Butenedioic acid, (E)-|Caswell No. 465E|E297|EINECS 203-743-0|EPA Pesticide Chemical Code 051201|FC 33|FEMA No. 2488|FEMA Number 2488|Fumarate|Fumaricum acidum|FUMARSAEURE|Fumarsaure|Kyselina fumarova|Lichenate|Lichenic acid|NSC 2752|NSC-2752|Sodium fumarate|trans-1,2-Ethylenedicarboxylate|trans-1,2-Ethylenedicarboxylic acid|trans-2-Butenedioate|trans-2-Butenedioic acid|trans-but-2-enedioic acid|trans-Butenedioate|trans-Butenedioic acid|Tumaric acid|UNII-88XHZ13131|USAF EK-P-583|623158-97-4|909873-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021518 https://doi.org/10.22427/NTP-DATA-DTXSID3021518
ERPathway2016 ERPathway2016_1131 Fumaric acid 110-17-8 DTXSID3021518 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C=CC(O)=O Fumaric acid 110-17-8|Fumaric acid|(2E)-2-Butenedioic acid|(2E)-But-2-enedioate|(2E)-But-2-enedioic acid|(E)-2-Butenedioate|(E)-2-Butenedioic acid|1,2-Ethenedicarboxylic acid, trans-|2-(E)-Butenedioate|2-(E)-Butenedioic acid|2-Butenedioic acid (2E)-|2-Butenedioic acid (E)-|2-Butenedioic acid, (E)-|4-02-00-02202|Acide fumarique|acido fumarico|Allomaleate|Allomaleic acid|Allomalenic acid|Bakeshure 451|Bakeshure 470|Boletate|Boletic acid|BRN 0605763|but-2-enedioic acid|Butenedioic acid, (E)-|Caswell No. 465E|E297|EINECS 203-743-0|EPA Pesticide Chemical Code 051201|FC 33|FEMA No. 2488|FEMA Number 2488|Fumarate|Fumaricum acidum|FUMARSAEURE|Fumarsaure|Kyselina fumarova|Lichenate|Lichenic acid|NSC 2752|NSC-2752|Sodium fumarate|trans-1,2-Ethylenedicarboxylate|trans-1,2-Ethylenedicarboxylic acid|trans-2-Butenedioate|trans-2-Butenedioic acid|trans-but-2-enedioic acid|trans-Butenedioate|trans-Butenedioic acid|Tumaric acid|UNII-88XHZ13131|USAF EK-P-583|623158-97-4|909873-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021518 https://doi.org/10.22427/NTP-DATA-DTXSID3021518
ERPathway2016 ERPathway2016_1131 Fumaric acid 110-17-8 DTXSID3021518 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C=CC(O)=O Fumaric acid 110-17-8|Fumaric acid|(2E)-2-Butenedioic acid|(2E)-But-2-enedioate|(2E)-But-2-enedioic acid|(E)-2-Butenedioate|(E)-2-Butenedioic acid|1,2-Ethenedicarboxylic acid, trans-|2-(E)-Butenedioate|2-(E)-Butenedioic acid|2-Butenedioic acid (2E)-|2-Butenedioic acid (E)-|2-Butenedioic acid, (E)-|4-02-00-02202|Acide fumarique|acido fumarico|Allomaleate|Allomaleic acid|Allomalenic acid|Bakeshure 451|Bakeshure 470|Boletate|Boletic acid|BRN 0605763|but-2-enedioic acid|Butenedioic acid, (E)-|Caswell No. 465E|E297|EINECS 203-743-0|EPA Pesticide Chemical Code 051201|FC 33|FEMA No. 2488|FEMA Number 2488|Fumarate|Fumaricum acidum|FUMARSAEURE|Fumarsaure|Kyselina fumarova|Lichenate|Lichenic acid|NSC 2752|NSC-2752|Sodium fumarate|trans-1,2-Ethylenedicarboxylate|trans-1,2-Ethylenedicarboxylic acid|trans-2-Butenedioate|trans-2-Butenedioic acid|trans-but-2-enedioic acid|trans-Butenedioate|trans-Butenedioic acid|Tumaric acid|UNII-88XHZ13131|USAF EK-P-583|623158-97-4|909873-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021518 https://doi.org/10.22427/NTP-DATA-DTXSID3021518
ARPathway2016 ARPathway2016_1795 Furfural 98-01-1 DTXSID1020647 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=CC1=CC=CO1 Furfural 98-01-1|Furfural|2-Formyl furan|2-Formylfuran|2-Formylofuran|2-furaldehido|2-Furaldehyd|2-furaldehyde|2-Furaldehyde, 8CI|2-Furanaldehyde|2-Furancarbaldehyde|2-Furancarbonal|2-Furancarboxaldehyde|2-Furancarboxyaldehyde|2-Furankarbaldehyd|2-Furfural|2-Furfuraldehyde|2-Furil-metanale|2-Furyl-methanal|2-Furylaldehyde|2-Furylaldehyde xypropane|2-Furylcarboxaldehyde|2-Furylmethanal|5-17-09-00292|a-Furfuraldehyde|a-Furole|alpha-Furfuraldehyde|alpha-Furole|Ant Oil, artificial|Artificial ant oil|Artificial oil of ants|Bran oil|BRN 0105755|Caswell No. 466|EINECS 202-627-7|EPA Pesticide Chemical Code 043301|FEMA 2489|FEMA No. 2489|Fural|Furaldehyde|Furale|Furan-2-aldehyde|FURAN-2-CARBOXALDEHYDE|Furancarbonal|Furfuraldehyde|Furfurale|Furfuralu|Furfurol|Furfurole|Furfurylaldehyde|Furol|Furole|Furyl-methanal|NCI-C56177|NSC 8841|Pyromucic aldehyde|Quakeral|RCRA waste number U125|UN 1199|UNII-DJ1HGI319P|a-Furole https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020647 https://doi.org/10.22427/NTP-DATA-DTXSID1020647
ARPathway2016 ARPathway2016_1795 Furfural 98-01-1 DTXSID1020647 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=CC1=CC=CO1 Furfural 98-01-1|Furfural|2-Formyl furan|2-Formylfuran|2-Formylofuran|2-furaldehido|2-Furaldehyd|2-furaldehyde|2-Furaldehyde, 8CI|2-Furanaldehyde|2-Furancarbaldehyde|2-Furancarbonal|2-Furancarboxaldehyde|2-Furancarboxyaldehyde|2-Furankarbaldehyd|2-Furfural|2-Furfuraldehyde|2-Furil-metanale|2-Furyl-methanal|2-Furylaldehyde|2-Furylaldehyde xypropane|2-Furylcarboxaldehyde|2-Furylmethanal|5-17-09-00292|a-Furfuraldehyde|a-Furole|alpha-Furfuraldehyde|alpha-Furole|Ant Oil, artificial|Artificial ant oil|Artificial oil of ants|Bran oil|BRN 0105755|Caswell No. 466|EINECS 202-627-7|EPA Pesticide Chemical Code 043301|FEMA 2489|FEMA No. 2489|Fural|Furaldehyde|Furale|Furan-2-aldehyde|FURAN-2-CARBOXALDEHYDE|Furancarbonal|Furfuraldehyde|Furfurale|Furfuralu|Furfurol|Furfurole|Furfurylaldehyde|Furol|Furole|Furyl-methanal|NCI-C56177|NSC 8841|Pyromucic aldehyde|Quakeral|RCRA waste number U125|UN 1199|UNII-DJ1HGI319P|a-Furole https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020647 https://doi.org/10.22427/NTP-DATA-DTXSID1020647
ARPathway2016 ARPathway2016_1795 Furfural 98-01-1 DTXSID1020647 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=CC1=CC=CO1 Furfural 98-01-1|Furfural|2-Formyl furan|2-Formylfuran|2-Formylofuran|2-furaldehido|2-Furaldehyd|2-furaldehyde|2-Furaldehyde, 8CI|2-Furanaldehyde|2-Furancarbaldehyde|2-Furancarbonal|2-Furancarboxaldehyde|2-Furancarboxyaldehyde|2-Furankarbaldehyd|2-Furfural|2-Furfuraldehyde|2-Furil-metanale|2-Furyl-methanal|2-Furylaldehyde|2-Furylaldehyde xypropane|2-Furylcarboxaldehyde|2-Furylmethanal|5-17-09-00292|a-Furfuraldehyde|a-Furole|alpha-Furfuraldehyde|alpha-Furole|Ant Oil, artificial|Artificial ant oil|Artificial oil of ants|Bran oil|BRN 0105755|Caswell No. 466|EINECS 202-627-7|EPA Pesticide Chemical Code 043301|FEMA 2489|FEMA No. 2489|Fural|Furaldehyde|Furale|Furan-2-aldehyde|FURAN-2-CARBOXALDEHYDE|Furancarbonal|Furfuraldehyde|Furfurale|Furfuralu|Furfurol|Furfurole|Furfurylaldehyde|Furol|Furole|Furyl-methanal|NCI-C56177|NSC 8841|Pyromucic aldehyde|Quakeral|RCRA waste number U125|UN 1199|UNII-DJ1HGI319P|a-Furole https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020647 https://doi.org/10.22427/NTP-DATA-DTXSID1020647
ARPathway2016 ARPathway2016_1795 Furfural 98-01-1 DTXSID1020647 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=CC1=CC=CO1 Furfural 98-01-1|Furfural|2-Formyl furan|2-Formylfuran|2-Formylofuran|2-furaldehido|2-Furaldehyd|2-furaldehyde|2-Furaldehyde, 8CI|2-Furanaldehyde|2-Furancarbaldehyde|2-Furancarbonal|2-Furancarboxaldehyde|2-Furancarboxyaldehyde|2-Furankarbaldehyd|2-Furfural|2-Furfuraldehyde|2-Furil-metanale|2-Furyl-methanal|2-Furylaldehyde|2-Furylaldehyde xypropane|2-Furylcarboxaldehyde|2-Furylmethanal|5-17-09-00292|a-Furfuraldehyde|a-Furole|alpha-Furfuraldehyde|alpha-Furole|Ant Oil, artificial|Artificial ant oil|Artificial oil of ants|Bran oil|BRN 0105755|Caswell No. 466|EINECS 202-627-7|EPA Pesticide Chemical Code 043301|FEMA 2489|FEMA No. 2489|Fural|Furaldehyde|Furale|Furan-2-aldehyde|FURAN-2-CARBOXALDEHYDE|Furancarbonal|Furfuraldehyde|Furfurale|Furfuralu|Furfurol|Furfurole|Furfurylaldehyde|Furol|Furole|Furyl-methanal|NCI-C56177|NSC 8841|Pyromucic aldehyde|Quakeral|RCRA waste number U125|UN 1199|UNII-DJ1HGI319P|a-Furole https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020647 https://doi.org/10.22427/NTP-DATA-DTXSID1020647
ERPathway2016 ERPathway2016_1786 Furfural 98-01-1 DTXSID1020647 ER Pathway Model, Agonist Model Score 0 Unitless O=CC1=CC=CO1 Furfural 98-01-1|Furfural|2-Formyl furan|2-Formylfuran|2-Formylofuran|2-furaldehido|2-Furaldehyd|2-furaldehyde|2-Furaldehyde, 8CI|2-Furanaldehyde|2-Furancarbaldehyde|2-Furancarbonal|2-Furancarboxaldehyde|2-Furancarboxyaldehyde|2-Furankarbaldehyd|2-Furfural|2-Furfuraldehyde|2-Furil-metanale|2-Furyl-methanal|2-Furylaldehyde|2-Furylaldehyde xypropane|2-Furylcarboxaldehyde|2-Furylmethanal|5-17-09-00292|a-Furfuraldehyde|a-Furole|alpha-Furfuraldehyde|alpha-Furole|Ant Oil, artificial|Artificial ant oil|Artificial oil of ants|Bran oil|BRN 0105755|Caswell No. 466|EINECS 202-627-7|EPA Pesticide Chemical Code 043301|FEMA 2489|FEMA No. 2489|Fural|Furaldehyde|Furale|Furan-2-aldehyde|FURAN-2-CARBOXALDEHYDE|Furancarbonal|Furfuraldehyde|Furfurale|Furfuralu|Furfurol|Furfurole|Furfurylaldehyde|Furol|Furole|Furyl-methanal|NCI-C56177|NSC 8841|Pyromucic aldehyde|Quakeral|RCRA waste number U125|UN 1199|UNII-DJ1HGI319P|a-Furole https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020647 https://doi.org/10.22427/NTP-DATA-DTXSID1020647
ERPathway2016 ERPathway2016_1786 Furfural 98-01-1 DTXSID1020647 ER Pathway Model, Antagonist Model Score 0 Unitless O=CC1=CC=CO1 Furfural 98-01-1|Furfural|2-Formyl furan|2-Formylfuran|2-Formylofuran|2-furaldehido|2-Furaldehyd|2-furaldehyde|2-Furaldehyde, 8CI|2-Furanaldehyde|2-Furancarbaldehyde|2-Furancarbonal|2-Furancarboxaldehyde|2-Furancarboxyaldehyde|2-Furankarbaldehyd|2-Furfural|2-Furfuraldehyde|2-Furil-metanale|2-Furyl-methanal|2-Furylaldehyde|2-Furylaldehyde xypropane|2-Furylcarboxaldehyde|2-Furylmethanal|5-17-09-00292|a-Furfuraldehyde|a-Furole|alpha-Furfuraldehyde|alpha-Furole|Ant Oil, artificial|Artificial ant oil|Artificial oil of ants|Bran oil|BRN 0105755|Caswell No. 466|EINECS 202-627-7|EPA Pesticide Chemical Code 043301|FEMA 2489|FEMA No. 2489|Fural|Furaldehyde|Furale|Furan-2-aldehyde|FURAN-2-CARBOXALDEHYDE|Furancarbonal|Furfuraldehyde|Furfurale|Furfuralu|Furfurol|Furfurole|Furfurylaldehyde|Furol|Furole|Furyl-methanal|NCI-C56177|NSC 8841|Pyromucic aldehyde|Quakeral|RCRA waste number U125|UN 1199|UNII-DJ1HGI319P|a-Furole https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020647 https://doi.org/10.22427/NTP-DATA-DTXSID1020647
ERPathway2016 ERPathway2016_1786 Furfural 98-01-1 DTXSID1020647 ER Pathway Model, Agonist Call Inactive Unitless O=CC1=CC=CO1 Furfural 98-01-1|Furfural|2-Formyl furan|2-Formylfuran|2-Formylofuran|2-furaldehido|2-Furaldehyd|2-furaldehyde|2-Furaldehyde, 8CI|2-Furanaldehyde|2-Furancarbaldehyde|2-Furancarbonal|2-Furancarboxaldehyde|2-Furancarboxyaldehyde|2-Furankarbaldehyd|2-Furfural|2-Furfuraldehyde|2-Furil-metanale|2-Furyl-methanal|2-Furylaldehyde|2-Furylaldehyde xypropane|2-Furylcarboxaldehyde|2-Furylmethanal|5-17-09-00292|a-Furfuraldehyde|a-Furole|alpha-Furfuraldehyde|alpha-Furole|Ant Oil, artificial|Artificial ant oil|Artificial oil of ants|Bran oil|BRN 0105755|Caswell No. 466|EINECS 202-627-7|EPA Pesticide Chemical Code 043301|FEMA 2489|FEMA No. 2489|Fural|Furaldehyde|Furale|Furan-2-aldehyde|FURAN-2-CARBOXALDEHYDE|Furancarbonal|Furfuraldehyde|Furfurale|Furfuralu|Furfurol|Furfurole|Furfurylaldehyde|Furol|Furole|Furyl-methanal|NCI-C56177|NSC 8841|Pyromucic aldehyde|Quakeral|RCRA waste number U125|UN 1199|UNII-DJ1HGI319P|a-Furole https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020647 https://doi.org/10.22427/NTP-DATA-DTXSID1020647
ERPathway2016 ERPathway2016_1786 Furfural 98-01-1 DTXSID1020647 ER Pathway Model, Antagonist Call Inactive Unitless O=CC1=CC=CO1 Furfural 98-01-1|Furfural|2-Formyl furan|2-Formylfuran|2-Formylofuran|2-furaldehido|2-Furaldehyd|2-furaldehyde|2-Furaldehyde, 8CI|2-Furanaldehyde|2-Furancarbaldehyde|2-Furancarbonal|2-Furancarboxaldehyde|2-Furancarboxyaldehyde|2-Furankarbaldehyd|2-Furfural|2-Furfuraldehyde|2-Furil-metanale|2-Furyl-methanal|2-Furylaldehyde|2-Furylaldehyde xypropane|2-Furylcarboxaldehyde|2-Furylmethanal|5-17-09-00292|a-Furfuraldehyde|a-Furole|alpha-Furfuraldehyde|alpha-Furole|Ant Oil, artificial|Artificial ant oil|Artificial oil of ants|Bran oil|BRN 0105755|Caswell No. 466|EINECS 202-627-7|EPA Pesticide Chemical Code 043301|FEMA 2489|FEMA No. 2489|Fural|Furaldehyde|Furale|Furan-2-aldehyde|FURAN-2-CARBOXALDEHYDE|Furancarbonal|Furfuraldehyde|Furfurale|Furfuralu|Furfurol|Furfurole|Furfurylaldehyde|Furol|Furole|Furyl-methanal|NCI-C56177|NSC 8841|Pyromucic aldehyde|Quakeral|RCRA waste number U125|UN 1199|UNII-DJ1HGI319P|a-Furole https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020647 https://doi.org/10.22427/NTP-DATA-DTXSID1020647
ARPathway2016 ARPathway2016_1794 Furfuryl alcohol 98-00-0 DTXSID2025347 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCC1=CC=CO1 Furfuryl alcohol 98-00-0|Furfuryl alcohol|(2-furyl)-Methanol|(2-FURYL)-METHANOL (FURFURYLALCOHOL)|(2-furyl)methanol|2-(Hydroxymethyl)furan|2-Furancarbinol|2-Furane-methanol|2-Furane-methanol (furfurol)|2-Furanemethanol|2-Furanmethanol|2-Furanmethanol (furfuryl alcohol)|2-Furanmethanol, homopolymer|2-Furanylmethanol|2-Furfuryl alcohol|2-Furfurylalkohol|2-Furfurylalkohol(CZECH)|2-Furylcarbinol|2-Furylmethanol|2-Furylmethanol (ACD/Name 4.0)|2-Furylmethyl alcohol|2-Hydroxymethylfuran|2-hydroxymethylfurane|5-17-03-00338|5-Hydroxymethylfuran|alcohol furfurilico|Alcool furfurylique|alpha -Furfuryl alcohol|alpha -Furylcarbinol|alpha-Furfuryl alcohol|alpha-furylcarbinol|BRN 0106291|Chem-Rez 200|EINECS 202-626-1|FEMA 2491|FEMA No. 2491|Furan-2-methanol|Furan-2-yl-methanol|Furan-2-ylmethanol|FURAN, 2-HYDROXYMETHYL-|Furan, 2-methanol-|Furanmethanol|Furfural alcohol|Furfuralcohol|Furfuranol|Furfurol|Furfuryl alcohol (furfurol)|Furfuryl alcohol [UN2874] [Poison]|Furfuryl alcohol, 8CI|Furfurylalkohol|Furfurylcarb|Furyl alcohol|Furylcarbinol|Furylcarbinol (VAN)|Meth https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025347 https://doi.org/10.22427/NTP-DATA-DTXSID2025347
ARPathway2016 ARPathway2016_1794 Furfuryl alcohol 98-00-0 DTXSID2025347 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCC1=CC=CO1 Furfuryl alcohol 98-00-0|Furfuryl alcohol|(2-furyl)-Methanol|(2-FURYL)-METHANOL (FURFURYLALCOHOL)|(2-furyl)methanol|2-(Hydroxymethyl)furan|2-Furancarbinol|2-Furane-methanol|2-Furane-methanol (furfurol)|2-Furanemethanol|2-Furanmethanol|2-Furanmethanol (furfuryl alcohol)|2-Furanmethanol, homopolymer|2-Furanylmethanol|2-Furfuryl alcohol|2-Furfurylalkohol|2-Furfurylalkohol(CZECH)|2-Furylcarbinol|2-Furylmethanol|2-Furylmethanol (ACD/Name 4.0)|2-Furylmethyl alcohol|2-Hydroxymethylfuran|2-hydroxymethylfurane|5-17-03-00338|5-Hydroxymethylfuran|alcohol furfurilico|Alcool furfurylique|alpha -Furfuryl alcohol|alpha -Furylcarbinol|alpha-Furfuryl alcohol|alpha-furylcarbinol|BRN 0106291|Chem-Rez 200|EINECS 202-626-1|FEMA 2491|FEMA No. 2491|Furan-2-methanol|Furan-2-yl-methanol|Furan-2-ylmethanol|FURAN, 2-HYDROXYMETHYL-|Furan, 2-methanol-|Furanmethanol|Furfural alcohol|Furfuralcohol|Furfuranol|Furfurol|Furfuryl alcohol (furfurol)|Furfuryl alcohol [UN2874] [Poison]|Furfuryl alcohol, 8CI|Furfurylalkohol|Furfurylcarb|Furyl alcohol|Furylcarbinol|Furylcarbinol (VAN)|Meth https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025347 https://doi.org/10.22427/NTP-DATA-DTXSID2025347
ARPathway2016 ARPathway2016_1794 Furfuryl alcohol 98-00-0 DTXSID2025347 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCC1=CC=CO1 Furfuryl alcohol 98-00-0|Furfuryl alcohol|(2-furyl)-Methanol|(2-FURYL)-METHANOL (FURFURYLALCOHOL)|(2-furyl)methanol|2-(Hydroxymethyl)furan|2-Furancarbinol|2-Furane-methanol|2-Furane-methanol (furfurol)|2-Furanemethanol|2-Furanmethanol|2-Furanmethanol (furfuryl alcohol)|2-Furanmethanol, homopolymer|2-Furanylmethanol|2-Furfuryl alcohol|2-Furfurylalkohol|2-Furfurylalkohol(CZECH)|2-Furylcarbinol|2-Furylmethanol|2-Furylmethanol (ACD/Name 4.0)|2-Furylmethyl alcohol|2-Hydroxymethylfuran|2-hydroxymethylfurane|5-17-03-00338|5-Hydroxymethylfuran|alcohol furfurilico|Alcool furfurylique|alpha -Furfuryl alcohol|alpha -Furylcarbinol|alpha-Furfuryl alcohol|alpha-furylcarbinol|BRN 0106291|Chem-Rez 200|EINECS 202-626-1|FEMA 2491|FEMA No. 2491|Furan-2-methanol|Furan-2-yl-methanol|Furan-2-ylmethanol|FURAN, 2-HYDROXYMETHYL-|Furan, 2-methanol-|Furanmethanol|Furfural alcohol|Furfuralcohol|Furfuranol|Furfurol|Furfuryl alcohol (furfurol)|Furfuryl alcohol [UN2874] [Poison]|Furfuryl alcohol, 8CI|Furfurylalkohol|Furfurylcarb|Furyl alcohol|Furylcarbinol|Furylcarbinol (VAN)|Meth https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025347 https://doi.org/10.22427/NTP-DATA-DTXSID2025347
ARPathway2016 ARPathway2016_1794 Furfuryl alcohol 98-00-0 DTXSID2025347 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCC1=CC=CO1 Furfuryl alcohol 98-00-0|Furfuryl alcohol|(2-furyl)-Methanol|(2-FURYL)-METHANOL (FURFURYLALCOHOL)|(2-furyl)methanol|2-(Hydroxymethyl)furan|2-Furancarbinol|2-Furane-methanol|2-Furane-methanol (furfurol)|2-Furanemethanol|2-Furanmethanol|2-Furanmethanol (furfuryl alcohol)|2-Furanmethanol, homopolymer|2-Furanylmethanol|2-Furfuryl alcohol|2-Furfurylalkohol|2-Furfurylalkohol(CZECH)|2-Furylcarbinol|2-Furylmethanol|2-Furylmethanol (ACD/Name 4.0)|2-Furylmethyl alcohol|2-Hydroxymethylfuran|2-hydroxymethylfurane|5-17-03-00338|5-Hydroxymethylfuran|alcohol furfurilico|Alcool furfurylique|alpha -Furfuryl alcohol|alpha -Furylcarbinol|alpha-Furfuryl alcohol|alpha-furylcarbinol|BRN 0106291|Chem-Rez 200|EINECS 202-626-1|FEMA 2491|FEMA No. 2491|Furan-2-methanol|Furan-2-yl-methanol|Furan-2-ylmethanol|FURAN, 2-HYDROXYMETHYL-|Furan, 2-methanol-|Furanmethanol|Furfural alcohol|Furfuralcohol|Furfuranol|Furfurol|Furfuryl alcohol (furfurol)|Furfuryl alcohol [UN2874] [Poison]|Furfuryl alcohol, 8CI|Furfurylalkohol|Furfurylcarb|Furyl alcohol|Furylcarbinol|Furylcarbinol (VAN)|Meth https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025347 https://doi.org/10.22427/NTP-DATA-DTXSID2025347
ERPathway2016 ERPathway2016_1785 Furfuryl alcohol 98-00-0 DTXSID2025347 ER Pathway Model, Agonist Model Score 0 Unitless OCC1=CC=CO1 Furfuryl alcohol 98-00-0|Furfuryl alcohol|(2-furyl)-Methanol|(2-FURYL)-METHANOL (FURFURYLALCOHOL)|(2-furyl)methanol|2-(Hydroxymethyl)furan|2-Furancarbinol|2-Furane-methanol|2-Furane-methanol (furfurol)|2-Furanemethanol|2-Furanmethanol|2-Furanmethanol (furfuryl alcohol)|2-Furanmethanol, homopolymer|2-Furanylmethanol|2-Furfuryl alcohol|2-Furfurylalkohol|2-Furfurylalkohol(CZECH)|2-Furylcarbinol|2-Furylmethanol|2-Furylmethanol (ACD/Name 4.0)|2-Furylmethyl alcohol|2-Hydroxymethylfuran|2-hydroxymethylfurane|5-17-03-00338|5-Hydroxymethylfuran|alcohol furfurilico|Alcool furfurylique|alpha -Furfuryl alcohol|alpha -Furylcarbinol|alpha-Furfuryl alcohol|alpha-furylcarbinol|BRN 0106291|Chem-Rez 200|EINECS 202-626-1|FEMA 2491|FEMA No. 2491|Furan-2-methanol|Furan-2-yl-methanol|Furan-2-ylmethanol|FURAN, 2-HYDROXYMETHYL-|Furan, 2-methanol-|Furanmethanol|Furfural alcohol|Furfuralcohol|Furfuranol|Furfurol|Furfuryl alcohol (furfurol)|Furfuryl alcohol [UN2874] [Poison]|Furfuryl alcohol, 8CI|Furfurylalkohol|Furfurylcarb|Furyl alcohol|Furylcarbinol|Furylcarbinol (VAN)|Meth https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025347 https://doi.org/10.22427/NTP-DATA-DTXSID2025347
ERPathway2016 ERPathway2016_1785 Furfuryl alcohol 98-00-0 DTXSID2025347 ER Pathway Model, Antagonist Model Score 0 Unitless OCC1=CC=CO1 Furfuryl alcohol 98-00-0|Furfuryl alcohol|(2-furyl)-Methanol|(2-FURYL)-METHANOL (FURFURYLALCOHOL)|(2-furyl)methanol|2-(Hydroxymethyl)furan|2-Furancarbinol|2-Furane-methanol|2-Furane-methanol (furfurol)|2-Furanemethanol|2-Furanmethanol|2-Furanmethanol (furfuryl alcohol)|2-Furanmethanol, homopolymer|2-Furanylmethanol|2-Furfuryl alcohol|2-Furfurylalkohol|2-Furfurylalkohol(CZECH)|2-Furylcarbinol|2-Furylmethanol|2-Furylmethanol (ACD/Name 4.0)|2-Furylmethyl alcohol|2-Hydroxymethylfuran|2-hydroxymethylfurane|5-17-03-00338|5-Hydroxymethylfuran|alcohol furfurilico|Alcool furfurylique|alpha -Furfuryl alcohol|alpha -Furylcarbinol|alpha-Furfuryl alcohol|alpha-furylcarbinol|BRN 0106291|Chem-Rez 200|EINECS 202-626-1|FEMA 2491|FEMA No. 2491|Furan-2-methanol|Furan-2-yl-methanol|Furan-2-ylmethanol|FURAN, 2-HYDROXYMETHYL-|Furan, 2-methanol-|Furanmethanol|Furfural alcohol|Furfuralcohol|Furfuranol|Furfurol|Furfuryl alcohol (furfurol)|Furfuryl alcohol [UN2874] [Poison]|Furfuryl alcohol, 8CI|Furfurylalkohol|Furfurylcarb|Furyl alcohol|Furylcarbinol|Furylcarbinol (VAN)|Meth https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025347 https://doi.org/10.22427/NTP-DATA-DTXSID2025347
ERPathway2016 ERPathway2016_1785 Furfuryl alcohol 98-00-0 DTXSID2025347 ER Pathway Model, Agonist Call Inactive Unitless OCC1=CC=CO1 Furfuryl alcohol 98-00-0|Furfuryl alcohol|(2-furyl)-Methanol|(2-FURYL)-METHANOL (FURFURYLALCOHOL)|(2-furyl)methanol|2-(Hydroxymethyl)furan|2-Furancarbinol|2-Furane-methanol|2-Furane-methanol (furfurol)|2-Furanemethanol|2-Furanmethanol|2-Furanmethanol (furfuryl alcohol)|2-Furanmethanol, homopolymer|2-Furanylmethanol|2-Furfuryl alcohol|2-Furfurylalkohol|2-Furfurylalkohol(CZECH)|2-Furylcarbinol|2-Furylmethanol|2-Furylmethanol (ACD/Name 4.0)|2-Furylmethyl alcohol|2-Hydroxymethylfuran|2-hydroxymethylfurane|5-17-03-00338|5-Hydroxymethylfuran|alcohol furfurilico|Alcool furfurylique|alpha -Furfuryl alcohol|alpha -Furylcarbinol|alpha-Furfuryl alcohol|alpha-furylcarbinol|BRN 0106291|Chem-Rez 200|EINECS 202-626-1|FEMA 2491|FEMA No. 2491|Furan-2-methanol|Furan-2-yl-methanol|Furan-2-ylmethanol|FURAN, 2-HYDROXYMETHYL-|Furan, 2-methanol-|Furanmethanol|Furfural alcohol|Furfuralcohol|Furfuranol|Furfurol|Furfuryl alcohol (furfurol)|Furfuryl alcohol [UN2874] [Poison]|Furfuryl alcohol, 8CI|Furfurylalkohol|Furfurylcarb|Furyl alcohol|Furylcarbinol|Furylcarbinol (VAN)|Meth https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025347 https://doi.org/10.22427/NTP-DATA-DTXSID2025347
ERPathway2016 ERPathway2016_1785 Furfuryl alcohol 98-00-0 DTXSID2025347 ER Pathway Model, Antagonist Call Inactive Unitless OCC1=CC=CO1 Furfuryl alcohol 98-00-0|Furfuryl alcohol|(2-furyl)-Methanol|(2-FURYL)-METHANOL (FURFURYLALCOHOL)|(2-furyl)methanol|2-(Hydroxymethyl)furan|2-Furancarbinol|2-Furane-methanol|2-Furane-methanol (furfurol)|2-Furanemethanol|2-Furanmethanol|2-Furanmethanol (furfuryl alcohol)|2-Furanmethanol, homopolymer|2-Furanylmethanol|2-Furfuryl alcohol|2-Furfurylalkohol|2-Furfurylalkohol(CZECH)|2-Furylcarbinol|2-Furylmethanol|2-Furylmethanol (ACD/Name 4.0)|2-Furylmethyl alcohol|2-Hydroxymethylfuran|2-hydroxymethylfurane|5-17-03-00338|5-Hydroxymethylfuran|alcohol furfurilico|Alcool furfurylique|alpha -Furfuryl alcohol|alpha -Furylcarbinol|alpha-Furfuryl alcohol|alpha-furylcarbinol|BRN 0106291|Chem-Rez 200|EINECS 202-626-1|FEMA 2491|FEMA No. 2491|Furan-2-methanol|Furan-2-yl-methanol|Furan-2-ylmethanol|FURAN, 2-HYDROXYMETHYL-|Furan, 2-methanol-|Furanmethanol|Furfural alcohol|Furfuralcohol|Furfuranol|Furfurol|Furfuryl alcohol (furfurol)|Furfuryl alcohol [UN2874] [Poison]|Furfuryl alcohol, 8CI|Furfurylalkohol|Furfurylcarb|Furyl alcohol|Furylcarbinol|Furylcarbinol (VAN)|Meth https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025347 https://doi.org/10.22427/NTP-DATA-DTXSID2025347
ARPathway2016 ARPathway2016_692 Gallic acid n-propyl ester 121-79-9 DTXSID5021201 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Gallic acid n-propyl ester 121-79-9|Gallic acid n-propyl ester|3,4,5-trihidroxibenzoato de propilo|3,4,5-Trihydroxybenzene-1-propylcarboxylate|3,4,5-Trihydroxybenzoate de propyle|3,4,5-Trihydroxybenzoic acid n-propyl ester|3,4,5-Trihydroxybenzoic acid propyl ester|BENZOATE, 3,4,5-TRIHYDROXY-, PROPYL|Benzoic acid, 3,4,5-trihydroxy-, propyl ester|EINECS 204-498-2|FEMA No. 2947|GALLATE, N-PROPYL|Gallic acid n-propyl ester|Gallic acid, propyl ester|GALLUSSAEURE-PROPYLESTER|Hemostyptin|Marupi Gallate|n-Propyl 3,4,5-trihydroxybenzoate|N-PROPYL ESTER OF 3,4,5-TRIHYDROXYBENZOIC ACID|n-Propyl gallate|NCI-C505888|Nipagallin P|Nipanox S 1|NSC 2626|PG|Progallin P|propyl 3,4,5-trihydroxybenzoate|Propyl gallate|Propyl-3,4,5-trihydroxybenzoat|Propylester kyseliny gallove|Tenox PG|UNII-8D4SNN7V92|56274-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021201 https://doi.org/10.22427/NTP-DATA-DTXSID5021201
ARPathway2016 ARPathway2016_692 Gallic acid n-propyl ester 121-79-9 DTXSID5021201 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Gallic acid n-propyl ester 121-79-9|Gallic acid n-propyl ester|3,4,5-trihidroxibenzoato de propilo|3,4,5-Trihydroxybenzene-1-propylcarboxylate|3,4,5-Trihydroxybenzoate de propyle|3,4,5-Trihydroxybenzoic acid n-propyl ester|3,4,5-Trihydroxybenzoic acid propyl ester|BENZOATE, 3,4,5-TRIHYDROXY-, PROPYL|Benzoic acid, 3,4,5-trihydroxy-, propyl ester|EINECS 204-498-2|FEMA No. 2947|GALLATE, N-PROPYL|Gallic acid n-propyl ester|Gallic acid, propyl ester|GALLUSSAEURE-PROPYLESTER|Hemostyptin|Marupi Gallate|n-Propyl 3,4,5-trihydroxybenzoate|N-PROPYL ESTER OF 3,4,5-TRIHYDROXYBENZOIC ACID|n-Propyl gallate|NCI-C505888|Nipagallin P|Nipanox S 1|NSC 2626|PG|Progallin P|propyl 3,4,5-trihydroxybenzoate|Propyl gallate|Propyl-3,4,5-trihydroxybenzoat|Propylester kyseliny gallove|Tenox PG|UNII-8D4SNN7V92|56274-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021201 https://doi.org/10.22427/NTP-DATA-DTXSID5021201
ARPathway2016 ARPathway2016_692 Gallic acid n-propyl ester 121-79-9 DTXSID5021201 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Gallic acid n-propyl ester 121-79-9|Gallic acid n-propyl ester|3,4,5-trihidroxibenzoato de propilo|3,4,5-Trihydroxybenzene-1-propylcarboxylate|3,4,5-Trihydroxybenzoate de propyle|3,4,5-Trihydroxybenzoic acid n-propyl ester|3,4,5-Trihydroxybenzoic acid propyl ester|BENZOATE, 3,4,5-TRIHYDROXY-, PROPYL|Benzoic acid, 3,4,5-trihydroxy-, propyl ester|EINECS 204-498-2|FEMA No. 2947|GALLATE, N-PROPYL|Gallic acid n-propyl ester|Gallic acid, propyl ester|GALLUSSAEURE-PROPYLESTER|Hemostyptin|Marupi Gallate|n-Propyl 3,4,5-trihydroxybenzoate|N-PROPYL ESTER OF 3,4,5-TRIHYDROXYBENZOIC ACID|n-Propyl gallate|NCI-C505888|Nipagallin P|Nipanox S 1|NSC 2626|PG|Progallin P|propyl 3,4,5-trihydroxybenzoate|Propyl gallate|Propyl-3,4,5-trihydroxybenzoat|Propylester kyseliny gallove|Tenox PG|UNII-8D4SNN7V92|56274-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021201 https://doi.org/10.22427/NTP-DATA-DTXSID5021201
ARPathway2016 ARPathway2016_692 Gallic acid n-propyl ester 121-79-9 DTXSID5021201 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Gallic acid n-propyl ester 121-79-9|Gallic acid n-propyl ester|3,4,5-trihidroxibenzoato de propilo|3,4,5-Trihydroxybenzene-1-propylcarboxylate|3,4,5-Trihydroxybenzoate de propyle|3,4,5-Trihydroxybenzoic acid n-propyl ester|3,4,5-Trihydroxybenzoic acid propyl ester|BENZOATE, 3,4,5-TRIHYDROXY-, PROPYL|Benzoic acid, 3,4,5-trihydroxy-, propyl ester|EINECS 204-498-2|FEMA No. 2947|GALLATE, N-PROPYL|Gallic acid n-propyl ester|Gallic acid, propyl ester|GALLUSSAEURE-PROPYLESTER|Hemostyptin|Marupi Gallate|n-Propyl 3,4,5-trihydroxybenzoate|N-PROPYL ESTER OF 3,4,5-TRIHYDROXYBENZOIC ACID|n-Propyl gallate|NCI-C505888|Nipagallin P|Nipanox S 1|NSC 2626|PG|Progallin P|propyl 3,4,5-trihydroxybenzoate|Propyl gallate|Propyl-3,4,5-trihydroxybenzoat|Propylester kyseliny gallove|Tenox PG|UNII-8D4SNN7V92|56274-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021201 https://doi.org/10.22427/NTP-DATA-DTXSID5021201
ERPathway2016 ERPathway2016_268 Gallic acid n-propyl ester 121-79-9 DTXSID5021201 ER Pathway Model, Antagonist AC50 30.4262745677929 uM CCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Gallic acid n-propyl ester 121-79-9|Gallic acid n-propyl ester|3,4,5-trihidroxibenzoato de propilo|3,4,5-Trihydroxybenzene-1-propylcarboxylate|3,4,5-Trihydroxybenzoate de propyle|3,4,5-Trihydroxybenzoic acid n-propyl ester|3,4,5-Trihydroxybenzoic acid propyl ester|BENZOATE, 3,4,5-TRIHYDROXY-, PROPYL|Benzoic acid, 3,4,5-trihydroxy-, propyl ester|EINECS 204-498-2|FEMA No. 2947|GALLATE, N-PROPYL|Gallic acid n-propyl ester|Gallic acid, propyl ester|GALLUSSAEURE-PROPYLESTER|Hemostyptin|Marupi Gallate|n-Propyl 3,4,5-trihydroxybenzoate|N-PROPYL ESTER OF 3,4,5-TRIHYDROXYBENZOIC ACID|n-Propyl gallate|NCI-C505888|Nipagallin P|Nipanox S 1|NSC 2626|PG|Progallin P|propyl 3,4,5-trihydroxybenzoate|Propyl gallate|Propyl-3,4,5-trihydroxybenzoat|Propylester kyseliny gallove|Tenox PG|UNII-8D4SNN7V92|56274-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021201 https://doi.org/10.22427/NTP-DATA-DTXSID5021201
ERPathway2016 ERPathway2016_268 Gallic acid n-propyl ester 121-79-9 DTXSID5021201 ER Pathway Model, Antagonist ACC 18.456602161568 uM CCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Gallic acid n-propyl ester 121-79-9|Gallic acid n-propyl ester|3,4,5-trihidroxibenzoato de propilo|3,4,5-Trihydroxybenzene-1-propylcarboxylate|3,4,5-Trihydroxybenzoate de propyle|3,4,5-Trihydroxybenzoic acid n-propyl ester|3,4,5-Trihydroxybenzoic acid propyl ester|BENZOATE, 3,4,5-TRIHYDROXY-, PROPYL|Benzoic acid, 3,4,5-trihydroxy-, propyl ester|EINECS 204-498-2|FEMA No. 2947|GALLATE, N-PROPYL|Gallic acid n-propyl ester|Gallic acid, propyl ester|GALLUSSAEURE-PROPYLESTER|Hemostyptin|Marupi Gallate|n-Propyl 3,4,5-trihydroxybenzoate|N-PROPYL ESTER OF 3,4,5-TRIHYDROXYBENZOIC ACID|n-Propyl gallate|NCI-C505888|Nipagallin P|Nipanox S 1|NSC 2626|PG|Progallin P|propyl 3,4,5-trihydroxybenzoate|Propyl gallate|Propyl-3,4,5-trihydroxybenzoat|Propylester kyseliny gallove|Tenox PG|UNII-8D4SNN7V92|56274-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021201 https://doi.org/10.22427/NTP-DATA-DTXSID5021201
ERPathway2016 ERPathway2016_268 Gallic acid n-propyl ester 121-79-9 DTXSID5021201 ER Pathway Model, Agonist Model Score 0.0601 Unitless CCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Gallic acid n-propyl ester 121-79-9|Gallic acid n-propyl ester|3,4,5-trihidroxibenzoato de propilo|3,4,5-Trihydroxybenzene-1-propylcarboxylate|3,4,5-Trihydroxybenzoate de propyle|3,4,5-Trihydroxybenzoic acid n-propyl ester|3,4,5-Trihydroxybenzoic acid propyl ester|BENZOATE, 3,4,5-TRIHYDROXY-, PROPYL|Benzoic acid, 3,4,5-trihydroxy-, propyl ester|EINECS 204-498-2|FEMA No. 2947|GALLATE, N-PROPYL|Gallic acid n-propyl ester|Gallic acid, propyl ester|GALLUSSAEURE-PROPYLESTER|Hemostyptin|Marupi Gallate|n-Propyl 3,4,5-trihydroxybenzoate|N-PROPYL ESTER OF 3,4,5-TRIHYDROXYBENZOIC ACID|n-Propyl gallate|NCI-C505888|Nipagallin P|Nipanox S 1|NSC 2626|PG|Progallin P|propyl 3,4,5-trihydroxybenzoate|Propyl gallate|Propyl-3,4,5-trihydroxybenzoat|Propylester kyseliny gallove|Tenox PG|UNII-8D4SNN7V92|56274-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021201 https://doi.org/10.22427/NTP-DATA-DTXSID5021201
ERPathway2016 ERPathway2016_268 Gallic acid n-propyl ester 121-79-9 DTXSID5021201 ER Pathway Model, Antagonist Model Score 0 Unitless CCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Gallic acid n-propyl ester 121-79-9|Gallic acid n-propyl ester|3,4,5-trihidroxibenzoato de propilo|3,4,5-Trihydroxybenzene-1-propylcarboxylate|3,4,5-Trihydroxybenzoate de propyle|3,4,5-Trihydroxybenzoic acid n-propyl ester|3,4,5-Trihydroxybenzoic acid propyl ester|BENZOATE, 3,4,5-TRIHYDROXY-, PROPYL|Benzoic acid, 3,4,5-trihydroxy-, propyl ester|EINECS 204-498-2|FEMA No. 2947|GALLATE, N-PROPYL|Gallic acid n-propyl ester|Gallic acid, propyl ester|GALLUSSAEURE-PROPYLESTER|Hemostyptin|Marupi Gallate|n-Propyl 3,4,5-trihydroxybenzoate|N-PROPYL ESTER OF 3,4,5-TRIHYDROXYBENZOIC ACID|n-Propyl gallate|NCI-C505888|Nipagallin P|Nipanox S 1|NSC 2626|PG|Progallin P|propyl 3,4,5-trihydroxybenzoate|Propyl gallate|Propyl-3,4,5-trihydroxybenzoat|Propylester kyseliny gallove|Tenox PG|UNII-8D4SNN7V92|56274-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021201 https://doi.org/10.22427/NTP-DATA-DTXSID5021201
ERPathway2016 ERPathway2016_268 Gallic acid n-propyl ester 121-79-9 DTXSID5021201 ER Pathway Model, Agonist Call Inactive Unitless CCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Gallic acid n-propyl ester 121-79-9|Gallic acid n-propyl ester|3,4,5-trihidroxibenzoato de propilo|3,4,5-Trihydroxybenzene-1-propylcarboxylate|3,4,5-Trihydroxybenzoate de propyle|3,4,5-Trihydroxybenzoic acid n-propyl ester|3,4,5-Trihydroxybenzoic acid propyl ester|BENZOATE, 3,4,5-TRIHYDROXY-, PROPYL|Benzoic acid, 3,4,5-trihydroxy-, propyl ester|EINECS 204-498-2|FEMA No. 2947|GALLATE, N-PROPYL|Gallic acid n-propyl ester|Gallic acid, propyl ester|GALLUSSAEURE-PROPYLESTER|Hemostyptin|Marupi Gallate|n-Propyl 3,4,5-trihydroxybenzoate|N-PROPYL ESTER OF 3,4,5-TRIHYDROXYBENZOIC ACID|n-Propyl gallate|NCI-C505888|Nipagallin P|Nipanox S 1|NSC 2626|PG|Progallin P|propyl 3,4,5-trihydroxybenzoate|Propyl gallate|Propyl-3,4,5-trihydroxybenzoat|Propylester kyseliny gallove|Tenox PG|UNII-8D4SNN7V92|56274-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021201 https://doi.org/10.22427/NTP-DATA-DTXSID5021201
ERPathway2016 ERPathway2016_268 Gallic acid n-propyl ester 121-79-9 DTXSID5021201 ER Pathway Model, Antagonist Call Active Unitless CCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Gallic acid n-propyl ester 121-79-9|Gallic acid n-propyl ester|3,4,5-trihidroxibenzoato de propilo|3,4,5-Trihydroxybenzene-1-propylcarboxylate|3,4,5-Trihydroxybenzoate de propyle|3,4,5-Trihydroxybenzoic acid n-propyl ester|3,4,5-Trihydroxybenzoic acid propyl ester|BENZOATE, 3,4,5-TRIHYDROXY-, PROPYL|Benzoic acid, 3,4,5-trihydroxy-, propyl ester|EINECS 204-498-2|FEMA No. 2947|GALLATE, N-PROPYL|Gallic acid n-propyl ester|Gallic acid, propyl ester|GALLUSSAEURE-PROPYLESTER|Hemostyptin|Marupi Gallate|n-Propyl 3,4,5-trihydroxybenzoate|N-PROPYL ESTER OF 3,4,5-TRIHYDROXYBENZOIC ACID|n-Propyl gallate|NCI-C505888|Nipagallin P|Nipanox S 1|NSC 2626|PG|Progallin P|propyl 3,4,5-trihydroxybenzoate|Propyl gallate|Propyl-3,4,5-trihydroxybenzoat|Propylester kyseliny gallove|Tenox PG|UNII-8D4SNN7V92|56274-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021201 https://doi.org/10.22427/NTP-DATA-DTXSID5021201
ARPathway2016 ARPathway2016_1784 gamma-Butyrolactone 96-48-0 DTXSID6020224 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C1CCCO1 gamma-Butyrolactone 96-48-0|gamma-Butyrolactone|1-Oxacyclopentan-2-one|1,2-Butanolide|1,4-Butanolide|1,4-Lactone|2 (3h)-furanona, dihidro -|2-Oxolanone|2-Oxotetrahydrofuran|2,3,4,5-Tetrahydro-2-furanone|2(3H)-Furanone, dihydro-|3-hydroxybutyric acid lactone|4-Butanolide|4-Deoxytetronate|4-Deoxytetronic acid|4-Hydroxy-Butanoate|4-Hydroxy-Butanoic acid|4-Hydroxy-Butanoic acid g-lactone|4-HYDROXY-BUTYRIC ACID, LACTONE|4-Hydroxybutanoate|4-Hydroxybutanoic acid|4-Hydroxybutanoic acid lactone|4-Hydroxybutyric acid lactone|4,5-Dihydro-2(3H)-furanone|Agrisynth BLO|Butanoic acid, 4-hydroxy-, gamma-lactone|Butanoic acid, 4-hydroxy-, g-lactone|Butyric acid lactone|Butyric acid, 4-hydroxy-, gamma-lactone|Butyrolactone|butyrolactone, dihydro|BUTYROLACTONE, g-|Butyryl lactone|Butyrylactone|Caswell No. 132B|Dihydro-2-furanone|Dihydro-2(3H)-furanone|dihydrofuran-2(3H)-one|EINECS 202-509-5|EPA Pesticide Chemical Code 122303|FEMA No. 3291|g-Butalactone|g-Butyrolactone|g-Butyryllactone|g-Hydroxybutyric acid lactone|gamma-BL|gamma-Butalactone|gamma-Butyryllactone|gamma-Hydr|187997-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020224 https://doi.org/10.22427/NTP-DATA-DTXSID6020224
ARPathway2016 ARPathway2016_1784 gamma-Butyrolactone 96-48-0 DTXSID6020224 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C1CCCO1 gamma-Butyrolactone 96-48-0|gamma-Butyrolactone|1-Oxacyclopentan-2-one|1,2-Butanolide|1,4-Butanolide|1,4-Lactone|2 (3h)-furanona, dihidro -|2-Oxolanone|2-Oxotetrahydrofuran|2,3,4,5-Tetrahydro-2-furanone|2(3H)-Furanone, dihydro-|3-hydroxybutyric acid lactone|4-Butanolide|4-Deoxytetronate|4-Deoxytetronic acid|4-Hydroxy-Butanoate|4-Hydroxy-Butanoic acid|4-Hydroxy-Butanoic acid g-lactone|4-HYDROXY-BUTYRIC ACID, LACTONE|4-Hydroxybutanoate|4-Hydroxybutanoic acid|4-Hydroxybutanoic acid lactone|4-Hydroxybutyric acid lactone|4,5-Dihydro-2(3H)-furanone|Agrisynth BLO|Butanoic acid, 4-hydroxy-, gamma-lactone|Butanoic acid, 4-hydroxy-, g-lactone|Butyric acid lactone|Butyric acid, 4-hydroxy-, gamma-lactone|Butyrolactone|butyrolactone, dihydro|BUTYROLACTONE, g-|Butyryl lactone|Butyrylactone|Caswell No. 132B|Dihydro-2-furanone|Dihydro-2(3H)-furanone|dihydrofuran-2(3H)-one|EINECS 202-509-5|EPA Pesticide Chemical Code 122303|FEMA No. 3291|g-Butalactone|g-Butyrolactone|g-Butyryllactone|g-Hydroxybutyric acid lactone|gamma-BL|gamma-Butalactone|gamma-Butyryllactone|gamma-Hydr|187997-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020224 https://doi.org/10.22427/NTP-DATA-DTXSID6020224
ARPathway2016 ARPathway2016_1784 gamma-Butyrolactone 96-48-0 DTXSID6020224 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C1CCCO1 gamma-Butyrolactone 96-48-0|gamma-Butyrolactone|1-Oxacyclopentan-2-one|1,2-Butanolide|1,4-Butanolide|1,4-Lactone|2 (3h)-furanona, dihidro -|2-Oxolanone|2-Oxotetrahydrofuran|2,3,4,5-Tetrahydro-2-furanone|2(3H)-Furanone, dihydro-|3-hydroxybutyric acid lactone|4-Butanolide|4-Deoxytetronate|4-Deoxytetronic acid|4-Hydroxy-Butanoate|4-Hydroxy-Butanoic acid|4-Hydroxy-Butanoic acid g-lactone|4-HYDROXY-BUTYRIC ACID, LACTONE|4-Hydroxybutanoate|4-Hydroxybutanoic acid|4-Hydroxybutanoic acid lactone|4-Hydroxybutyric acid lactone|4,5-Dihydro-2(3H)-furanone|Agrisynth BLO|Butanoic acid, 4-hydroxy-, gamma-lactone|Butanoic acid, 4-hydroxy-, g-lactone|Butyric acid lactone|Butyric acid, 4-hydroxy-, gamma-lactone|Butyrolactone|butyrolactone, dihydro|BUTYROLACTONE, g-|Butyryl lactone|Butyrylactone|Caswell No. 132B|Dihydro-2-furanone|Dihydro-2(3H)-furanone|dihydrofuran-2(3H)-one|EINECS 202-509-5|EPA Pesticide Chemical Code 122303|FEMA No. 3291|g-Butalactone|g-Butyrolactone|g-Butyryllactone|g-Hydroxybutyric acid lactone|gamma-BL|gamma-Butalactone|gamma-Butyryllactone|gamma-Hydr|187997-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020224 https://doi.org/10.22427/NTP-DATA-DTXSID6020224
ARPathway2016 ARPathway2016_1784 gamma-Butyrolactone 96-48-0 DTXSID6020224 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C1CCCO1 gamma-Butyrolactone 96-48-0|gamma-Butyrolactone|1-Oxacyclopentan-2-one|1,2-Butanolide|1,4-Butanolide|1,4-Lactone|2 (3h)-furanona, dihidro -|2-Oxolanone|2-Oxotetrahydrofuran|2,3,4,5-Tetrahydro-2-furanone|2(3H)-Furanone, dihydro-|3-hydroxybutyric acid lactone|4-Butanolide|4-Deoxytetronate|4-Deoxytetronic acid|4-Hydroxy-Butanoate|4-Hydroxy-Butanoic acid|4-Hydroxy-Butanoic acid g-lactone|4-HYDROXY-BUTYRIC ACID, LACTONE|4-Hydroxybutanoate|4-Hydroxybutanoic acid|4-Hydroxybutanoic acid lactone|4-Hydroxybutyric acid lactone|4,5-Dihydro-2(3H)-furanone|Agrisynth BLO|Butanoic acid, 4-hydroxy-, gamma-lactone|Butanoic acid, 4-hydroxy-, g-lactone|Butyric acid lactone|Butyric acid, 4-hydroxy-, gamma-lactone|Butyrolactone|butyrolactone, dihydro|BUTYROLACTONE, g-|Butyryl lactone|Butyrylactone|Caswell No. 132B|Dihydro-2-furanone|Dihydro-2(3H)-furanone|dihydrofuran-2(3H)-one|EINECS 202-509-5|EPA Pesticide Chemical Code 122303|FEMA No. 3291|g-Butalactone|g-Butyrolactone|g-Butyryllactone|g-Hydroxybutyric acid lactone|gamma-BL|gamma-Butalactone|gamma-Butyryllactone|gamma-Hydr|187997-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020224 https://doi.org/10.22427/NTP-DATA-DTXSID6020224
ERPathway2016 ERPathway2016_1782 gamma-Butyrolactone 96-48-0 DTXSID6020224 ER Pathway Model, Agonist Model Score 0 Unitless O=C1CCCO1 gamma-Butyrolactone 96-48-0|gamma-Butyrolactone|1-Oxacyclopentan-2-one|1,2-Butanolide|1,4-Butanolide|1,4-Lactone|2 (3h)-furanona, dihidro -|2-Oxolanone|2-Oxotetrahydrofuran|2,3,4,5-Tetrahydro-2-furanone|2(3H)-Furanone, dihydro-|3-hydroxybutyric acid lactone|4-Butanolide|4-Deoxytetronate|4-Deoxytetronic acid|4-Hydroxy-Butanoate|4-Hydroxy-Butanoic acid|4-Hydroxy-Butanoic acid g-lactone|4-HYDROXY-BUTYRIC ACID, LACTONE|4-Hydroxybutanoate|4-Hydroxybutanoic acid|4-Hydroxybutanoic acid lactone|4-Hydroxybutyric acid lactone|4,5-Dihydro-2(3H)-furanone|Agrisynth BLO|Butanoic acid, 4-hydroxy-, gamma-lactone|Butanoic acid, 4-hydroxy-, g-lactone|Butyric acid lactone|Butyric acid, 4-hydroxy-, gamma-lactone|Butyrolactone|butyrolactone, dihydro|BUTYROLACTONE, g-|Butyryl lactone|Butyrylactone|Caswell No. 132B|Dihydro-2-furanone|Dihydro-2(3H)-furanone|dihydrofuran-2(3H)-one|EINECS 202-509-5|EPA Pesticide Chemical Code 122303|FEMA No. 3291|g-Butalactone|g-Butyrolactone|g-Butyryllactone|g-Hydroxybutyric acid lactone|gamma-BL|gamma-Butalactone|gamma-Butyryllactone|gamma-Hydr|187997-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020224 https://doi.org/10.22427/NTP-DATA-DTXSID6020224
ERPathway2016 ERPathway2016_1782 gamma-Butyrolactone 96-48-0 DTXSID6020224 ER Pathway Model, Antagonist Model Score 0 Unitless O=C1CCCO1 gamma-Butyrolactone 96-48-0|gamma-Butyrolactone|1-Oxacyclopentan-2-one|1,2-Butanolide|1,4-Butanolide|1,4-Lactone|2 (3h)-furanona, dihidro -|2-Oxolanone|2-Oxotetrahydrofuran|2,3,4,5-Tetrahydro-2-furanone|2(3H)-Furanone, dihydro-|3-hydroxybutyric acid lactone|4-Butanolide|4-Deoxytetronate|4-Deoxytetronic acid|4-Hydroxy-Butanoate|4-Hydroxy-Butanoic acid|4-Hydroxy-Butanoic acid g-lactone|4-HYDROXY-BUTYRIC ACID, LACTONE|4-Hydroxybutanoate|4-Hydroxybutanoic acid|4-Hydroxybutanoic acid lactone|4-Hydroxybutyric acid lactone|4,5-Dihydro-2(3H)-furanone|Agrisynth BLO|Butanoic acid, 4-hydroxy-, gamma-lactone|Butanoic acid, 4-hydroxy-, g-lactone|Butyric acid lactone|Butyric acid, 4-hydroxy-, gamma-lactone|Butyrolactone|butyrolactone, dihydro|BUTYROLACTONE, g-|Butyryl lactone|Butyrylactone|Caswell No. 132B|Dihydro-2-furanone|Dihydro-2(3H)-furanone|dihydrofuran-2(3H)-one|EINECS 202-509-5|EPA Pesticide Chemical Code 122303|FEMA No. 3291|g-Butalactone|g-Butyrolactone|g-Butyryllactone|g-Hydroxybutyric acid lactone|gamma-BL|gamma-Butalactone|gamma-Butyryllactone|gamma-Hydr|187997-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020224 https://doi.org/10.22427/NTP-DATA-DTXSID6020224
ERPathway2016 ERPathway2016_1782 gamma-Butyrolactone 96-48-0 DTXSID6020224 ER Pathway Model, Agonist Call Inactive Unitless O=C1CCCO1 gamma-Butyrolactone 96-48-0|gamma-Butyrolactone|1-Oxacyclopentan-2-one|1,2-Butanolide|1,4-Butanolide|1,4-Lactone|2 (3h)-furanona, dihidro -|2-Oxolanone|2-Oxotetrahydrofuran|2,3,4,5-Tetrahydro-2-furanone|2(3H)-Furanone, dihydro-|3-hydroxybutyric acid lactone|4-Butanolide|4-Deoxytetronate|4-Deoxytetronic acid|4-Hydroxy-Butanoate|4-Hydroxy-Butanoic acid|4-Hydroxy-Butanoic acid g-lactone|4-HYDROXY-BUTYRIC ACID, LACTONE|4-Hydroxybutanoate|4-Hydroxybutanoic acid|4-Hydroxybutanoic acid lactone|4-Hydroxybutyric acid lactone|4,5-Dihydro-2(3H)-furanone|Agrisynth BLO|Butanoic acid, 4-hydroxy-, gamma-lactone|Butanoic acid, 4-hydroxy-, g-lactone|Butyric acid lactone|Butyric acid, 4-hydroxy-, gamma-lactone|Butyrolactone|butyrolactone, dihydro|BUTYROLACTONE, g-|Butyryl lactone|Butyrylactone|Caswell No. 132B|Dihydro-2-furanone|Dihydro-2(3H)-furanone|dihydrofuran-2(3H)-one|EINECS 202-509-5|EPA Pesticide Chemical Code 122303|FEMA No. 3291|g-Butalactone|g-Butyrolactone|g-Butyryllactone|g-Hydroxybutyric acid lactone|gamma-BL|gamma-Butalactone|gamma-Butyryllactone|gamma-Hydr|187997-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020224 https://doi.org/10.22427/NTP-DATA-DTXSID6020224
ERPathway2016 ERPathway2016_1782 gamma-Butyrolactone 96-48-0 DTXSID6020224 ER Pathway Model, Antagonist Call Inactive Unitless O=C1CCCO1 gamma-Butyrolactone 96-48-0|gamma-Butyrolactone|1-Oxacyclopentan-2-one|1,2-Butanolide|1,4-Butanolide|1,4-Lactone|2 (3h)-furanona, dihidro -|2-Oxolanone|2-Oxotetrahydrofuran|2,3,4,5-Tetrahydro-2-furanone|2(3H)-Furanone, dihydro-|3-hydroxybutyric acid lactone|4-Butanolide|4-Deoxytetronate|4-Deoxytetronic acid|4-Hydroxy-Butanoate|4-Hydroxy-Butanoic acid|4-Hydroxy-Butanoic acid g-lactone|4-HYDROXY-BUTYRIC ACID, LACTONE|4-Hydroxybutanoate|4-Hydroxybutanoic acid|4-Hydroxybutanoic acid lactone|4-Hydroxybutyric acid lactone|4,5-Dihydro-2(3H)-furanone|Agrisynth BLO|Butanoic acid, 4-hydroxy-, gamma-lactone|Butanoic acid, 4-hydroxy-, g-lactone|Butyric acid lactone|Butyric acid, 4-hydroxy-, gamma-lactone|Butyrolactone|butyrolactone, dihydro|BUTYROLACTONE, g-|Butyryl lactone|Butyrylactone|Caswell No. 132B|Dihydro-2-furanone|Dihydro-2(3H)-furanone|dihydrofuran-2(3H)-one|EINECS 202-509-5|EPA Pesticide Chemical Code 122303|FEMA No. 3291|g-Butalactone|g-Butyrolactone|g-Butyryllactone|g-Hydroxybutyric acid lactone|gamma-BL|gamma-Butalactone|gamma-Butyryllactone|gamma-Hydr|187997-16-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020224 https://doi.org/10.22427/NTP-DATA-DTXSID6020224
ARPathway2016 ARPathway2016_1496 gamma-Caprolactone 695-06-7 DTXSID8041298 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCC1CCC(=O)O1 gamma-Caprolactone 695-06-7|gamma-Caprolactone|2(3H)-Furanone, 5-ethyldihydro-|4-Ethyl-4-butanolide|4-Ethyl-4-hydroxybutanoic acid lactone|4-Ethylbutanolide (gamma-hexalactone)|4-Hexanolide|4-Hydroxy-Hexanoate|4-Hydroxy-Hexanoic acid|4-Hydroxy-Hexanoic acid gamma-lactone|4-Hydroxy-Hexanoic acid lactone|4-Hydroxyhexanoate|4-Hydroxyhexanoic acid|4-Hydroxyhexanoic acid lactone|5-17-09-00040|5-Ethyldihydro-2(3H)-furanone|5-Ethyldihydrofuran-2(3H)-one|5-Ethyltetrahydro-2-furanone|6-Caprolactone|BRN 0107260|Dihydro-5-ethyl-2(3H)-furanone|EINECS 211-778-8|FEMA No. 2556|gamma-Ethyl-gamma-butyrolactone|gamma-Ethyl-n-butyrolactone|gamma-Ethylbutyrolactone|gamma-Hexalactone|gamma-Hexanolactone|Hexa-4-olide|Hexanoic acid, 4-hydroxy-, gamma-lactone|Hexanolide-1,4|NSC 134769|NSC 24255|Tonkalide|Toukalide|UNII-J16NAT1G41|57129-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041298
ARPathway2016 ARPathway2016_1496 gamma-Caprolactone 695-06-7 DTXSID8041298 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCC1CCC(=O)O1 gamma-Caprolactone 695-06-7|gamma-Caprolactone|2(3H)-Furanone, 5-ethyldihydro-|4-Ethyl-4-butanolide|4-Ethyl-4-hydroxybutanoic acid lactone|4-Ethylbutanolide (gamma-hexalactone)|4-Hexanolide|4-Hydroxy-Hexanoate|4-Hydroxy-Hexanoic acid|4-Hydroxy-Hexanoic acid gamma-lactone|4-Hydroxy-Hexanoic acid lactone|4-Hydroxyhexanoate|4-Hydroxyhexanoic acid|4-Hydroxyhexanoic acid lactone|5-17-09-00040|5-Ethyldihydro-2(3H)-furanone|5-Ethyldihydrofuran-2(3H)-one|5-Ethyltetrahydro-2-furanone|6-Caprolactone|BRN 0107260|Dihydro-5-ethyl-2(3H)-furanone|EINECS 211-778-8|FEMA No. 2556|gamma-Ethyl-gamma-butyrolactone|gamma-Ethyl-n-butyrolactone|gamma-Ethylbutyrolactone|gamma-Hexalactone|gamma-Hexanolactone|Hexa-4-olide|Hexanoic acid, 4-hydroxy-, gamma-lactone|Hexanolide-1,4|NSC 134769|NSC 24255|Tonkalide|Toukalide|UNII-J16NAT1G41|57129-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041298
ARPathway2016 ARPathway2016_1496 gamma-Caprolactone 695-06-7 DTXSID8041298 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCC1CCC(=O)O1 gamma-Caprolactone 695-06-7|gamma-Caprolactone|2(3H)-Furanone, 5-ethyldihydro-|4-Ethyl-4-butanolide|4-Ethyl-4-hydroxybutanoic acid lactone|4-Ethylbutanolide (gamma-hexalactone)|4-Hexanolide|4-Hydroxy-Hexanoate|4-Hydroxy-Hexanoic acid|4-Hydroxy-Hexanoic acid gamma-lactone|4-Hydroxy-Hexanoic acid lactone|4-Hydroxyhexanoate|4-Hydroxyhexanoic acid|4-Hydroxyhexanoic acid lactone|5-17-09-00040|5-Ethyldihydro-2(3H)-furanone|5-Ethyldihydrofuran-2(3H)-one|5-Ethyltetrahydro-2-furanone|6-Caprolactone|BRN 0107260|Dihydro-5-ethyl-2(3H)-furanone|EINECS 211-778-8|FEMA No. 2556|gamma-Ethyl-gamma-butyrolactone|gamma-Ethyl-n-butyrolactone|gamma-Ethylbutyrolactone|gamma-Hexalactone|gamma-Hexanolactone|Hexa-4-olide|Hexanoic acid, 4-hydroxy-, gamma-lactone|Hexanolide-1,4|NSC 134769|NSC 24255|Tonkalide|Toukalide|UNII-J16NAT1G41|57129-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041298
ARPathway2016 ARPathway2016_1496 gamma-Caprolactone 695-06-7 DTXSID8041298 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCC1CCC(=O)O1 gamma-Caprolactone 695-06-7|gamma-Caprolactone|2(3H)-Furanone, 5-ethyldihydro-|4-Ethyl-4-butanolide|4-Ethyl-4-hydroxybutanoic acid lactone|4-Ethylbutanolide (gamma-hexalactone)|4-Hexanolide|4-Hydroxy-Hexanoate|4-Hydroxy-Hexanoic acid|4-Hydroxy-Hexanoic acid gamma-lactone|4-Hydroxy-Hexanoic acid lactone|4-Hydroxyhexanoate|4-Hydroxyhexanoic acid|4-Hydroxyhexanoic acid lactone|5-17-09-00040|5-Ethyldihydro-2(3H)-furanone|5-Ethyldihydrofuran-2(3H)-one|5-Ethyltetrahydro-2-furanone|6-Caprolactone|BRN 0107260|Dihydro-5-ethyl-2(3H)-furanone|EINECS 211-778-8|FEMA No. 2556|gamma-Ethyl-gamma-butyrolactone|gamma-Ethyl-n-butyrolactone|gamma-Ethylbutyrolactone|gamma-Hexalactone|gamma-Hexanolactone|Hexa-4-olide|Hexanoic acid, 4-hydroxy-, gamma-lactone|Hexanolide-1,4|NSC 134769|NSC 24255|Tonkalide|Toukalide|UNII-J16NAT1G41|57129-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041298
ERPathway2016 ERPathway2016_959 gamma-Caprolactone 695-06-7 DTXSID8041298 ER Pathway Model, Agonist Model Score 0 Unitless CCC1CCC(=O)O1 gamma-Caprolactone 695-06-7|gamma-Caprolactone|2(3H)-Furanone, 5-ethyldihydro-|4-Ethyl-4-butanolide|4-Ethyl-4-hydroxybutanoic acid lactone|4-Ethylbutanolide (gamma-hexalactone)|4-Hexanolide|4-Hydroxy-Hexanoate|4-Hydroxy-Hexanoic acid|4-Hydroxy-Hexanoic acid gamma-lactone|4-Hydroxy-Hexanoic acid lactone|4-Hydroxyhexanoate|4-Hydroxyhexanoic acid|4-Hydroxyhexanoic acid lactone|5-17-09-00040|5-Ethyldihydro-2(3H)-furanone|5-Ethyldihydrofuran-2(3H)-one|5-Ethyltetrahydro-2-furanone|6-Caprolactone|BRN 0107260|Dihydro-5-ethyl-2(3H)-furanone|EINECS 211-778-8|FEMA No. 2556|gamma-Ethyl-gamma-butyrolactone|gamma-Ethyl-n-butyrolactone|gamma-Ethylbutyrolactone|gamma-Hexalactone|gamma-Hexanolactone|Hexa-4-olide|Hexanoic acid, 4-hydroxy-, gamma-lactone|Hexanolide-1,4|NSC 134769|NSC 24255|Tonkalide|Toukalide|UNII-J16NAT1G41|57129-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041298
ERPathway2016 ERPathway2016_959 gamma-Caprolactone 695-06-7 DTXSID8041298 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1CCC(=O)O1 gamma-Caprolactone 695-06-7|gamma-Caprolactone|2(3H)-Furanone, 5-ethyldihydro-|4-Ethyl-4-butanolide|4-Ethyl-4-hydroxybutanoic acid lactone|4-Ethylbutanolide (gamma-hexalactone)|4-Hexanolide|4-Hydroxy-Hexanoate|4-Hydroxy-Hexanoic acid|4-Hydroxy-Hexanoic acid gamma-lactone|4-Hydroxy-Hexanoic acid lactone|4-Hydroxyhexanoate|4-Hydroxyhexanoic acid|4-Hydroxyhexanoic acid lactone|5-17-09-00040|5-Ethyldihydro-2(3H)-furanone|5-Ethyldihydrofuran-2(3H)-one|5-Ethyltetrahydro-2-furanone|6-Caprolactone|BRN 0107260|Dihydro-5-ethyl-2(3H)-furanone|EINECS 211-778-8|FEMA No. 2556|gamma-Ethyl-gamma-butyrolactone|gamma-Ethyl-n-butyrolactone|gamma-Ethylbutyrolactone|gamma-Hexalactone|gamma-Hexanolactone|Hexa-4-olide|Hexanoic acid, 4-hydroxy-, gamma-lactone|Hexanolide-1,4|NSC 134769|NSC 24255|Tonkalide|Toukalide|UNII-J16NAT1G41|57129-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041298
ERPathway2016 ERPathway2016_959 gamma-Caprolactone 695-06-7 DTXSID8041298 ER Pathway Model, Agonist Call Inactive Unitless CCC1CCC(=O)O1 gamma-Caprolactone 695-06-7|gamma-Caprolactone|2(3H)-Furanone, 5-ethyldihydro-|4-Ethyl-4-butanolide|4-Ethyl-4-hydroxybutanoic acid lactone|4-Ethylbutanolide (gamma-hexalactone)|4-Hexanolide|4-Hydroxy-Hexanoate|4-Hydroxy-Hexanoic acid|4-Hydroxy-Hexanoic acid gamma-lactone|4-Hydroxy-Hexanoic acid lactone|4-Hydroxyhexanoate|4-Hydroxyhexanoic acid|4-Hydroxyhexanoic acid lactone|5-17-09-00040|5-Ethyldihydro-2(3H)-furanone|5-Ethyldihydrofuran-2(3H)-one|5-Ethyltetrahydro-2-furanone|6-Caprolactone|BRN 0107260|Dihydro-5-ethyl-2(3H)-furanone|EINECS 211-778-8|FEMA No. 2556|gamma-Ethyl-gamma-butyrolactone|gamma-Ethyl-n-butyrolactone|gamma-Ethylbutyrolactone|gamma-Hexalactone|gamma-Hexanolactone|Hexa-4-olide|Hexanoic acid, 4-hydroxy-, gamma-lactone|Hexanolide-1,4|NSC 134769|NSC 24255|Tonkalide|Toukalide|UNII-J16NAT1G41|57129-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041298
ERPathway2016 ERPathway2016_959 gamma-Caprolactone 695-06-7 DTXSID8041298 ER Pathway Model, Antagonist Call Inactive Unitless CCC1CCC(=O)O1 gamma-Caprolactone 695-06-7|gamma-Caprolactone|2(3H)-Furanone, 5-ethyldihydro-|4-Ethyl-4-butanolide|4-Ethyl-4-hydroxybutanoic acid lactone|4-Ethylbutanolide (gamma-hexalactone)|4-Hexanolide|4-Hydroxy-Hexanoate|4-Hydroxy-Hexanoic acid|4-Hydroxy-Hexanoic acid gamma-lactone|4-Hydroxy-Hexanoic acid lactone|4-Hydroxyhexanoate|4-Hydroxyhexanoic acid|4-Hydroxyhexanoic acid lactone|5-17-09-00040|5-Ethyldihydro-2(3H)-furanone|5-Ethyldihydrofuran-2(3H)-one|5-Ethyltetrahydro-2-furanone|6-Caprolactone|BRN 0107260|Dihydro-5-ethyl-2(3H)-furanone|EINECS 211-778-8|FEMA No. 2556|gamma-Ethyl-gamma-butyrolactone|gamma-Ethyl-n-butyrolactone|gamma-Ethylbutyrolactone|gamma-Hexalactone|gamma-Hexanolactone|Hexa-4-olide|Hexanoic acid, 4-hydroxy-, gamma-lactone|Hexanolide-1,4|NSC 134769|NSC 24255|Tonkalide|Toukalide|UNII-J16NAT1G41|57129-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8041298
ARPathway2016 ARPathway2016_937 gamma-Cyclodextrin 17465-86-0 DTXSID5047033 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O gamma-Cyclodextrin 17465-86-0|gamma-Cyclodextrin|Cavamax 8 Food|Cavamax W 8|Cavamax W 8 Food|Celdex C 100|Celdex G 100|ciclooctapentilosa|Cyclomaltooctaose|Cyclooctaamylose|cyclooctapentylose|Dexy Pearl gamma-100|Dexy Pearl g-100|EINECS 241-482-4|Gamma cyclodextrin|gamma-CD|gamma-Dextrin|Rindex C|Ringdex C|Stereoisomer of 5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol|UNII-KZJ0BYZ5VA|g-Cyclodextrin|g-Cyclodextrine|g-Dextrin|1229648-15-0|1714824-80-2|2095261-38-2|216309-81-8|217487-02-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047033
ARPathway2016 ARPathway2016_937 gamma-Cyclodextrin 17465-86-0 DTXSID5047033 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O gamma-Cyclodextrin 17465-86-0|gamma-Cyclodextrin|Cavamax 8 Food|Cavamax W 8|Cavamax W 8 Food|Celdex C 100|Celdex G 100|ciclooctapentilosa|Cyclomaltooctaose|Cyclooctaamylose|cyclooctapentylose|Dexy Pearl gamma-100|Dexy Pearl g-100|EINECS 241-482-4|Gamma cyclodextrin|gamma-CD|gamma-Dextrin|Rindex C|Ringdex C|Stereoisomer of 5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol|UNII-KZJ0BYZ5VA|g-Cyclodextrin|g-Cyclodextrine|g-Dextrin|1229648-15-0|1714824-80-2|2095261-38-2|216309-81-8|217487-02-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047033
ARPathway2016 ARPathway2016_937 gamma-Cyclodextrin 17465-86-0 DTXSID5047033 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O gamma-Cyclodextrin 17465-86-0|gamma-Cyclodextrin|Cavamax 8 Food|Cavamax W 8|Cavamax W 8 Food|Celdex C 100|Celdex G 100|ciclooctapentilosa|Cyclomaltooctaose|Cyclooctaamylose|cyclooctapentylose|Dexy Pearl gamma-100|Dexy Pearl g-100|EINECS 241-482-4|Gamma cyclodextrin|gamma-CD|gamma-Dextrin|Rindex C|Ringdex C|Stereoisomer of 5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol|UNII-KZJ0BYZ5VA|g-Cyclodextrin|g-Cyclodextrine|g-Dextrin|1229648-15-0|1714824-80-2|2095261-38-2|216309-81-8|217487-02-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047033
ARPathway2016 ARPathway2016_937 gamma-Cyclodextrin 17465-86-0 DTXSID5047033 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O gamma-Cyclodextrin 17465-86-0|gamma-Cyclodextrin|Cavamax 8 Food|Cavamax W 8|Cavamax W 8 Food|Celdex C 100|Celdex G 100|ciclooctapentilosa|Cyclomaltooctaose|Cyclooctaamylose|cyclooctapentylose|Dexy Pearl gamma-100|Dexy Pearl g-100|EINECS 241-482-4|Gamma cyclodextrin|gamma-CD|gamma-Dextrin|Rindex C|Ringdex C|Stereoisomer of 5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol|UNII-KZJ0BYZ5VA|g-Cyclodextrin|g-Cyclodextrine|g-Dextrin|1229648-15-0|1714824-80-2|2095261-38-2|216309-81-8|217487-02-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047033
ERPathway2016 ERPathway2016_1346 gamma-Cyclodextrin 17465-86-0 DTXSID5047033 ER Pathway Model, Agonist Model Score 0 Unitless OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O gamma-Cyclodextrin 17465-86-0|gamma-Cyclodextrin|Cavamax 8 Food|Cavamax W 8|Cavamax W 8 Food|Celdex C 100|Celdex G 100|ciclooctapentilosa|Cyclomaltooctaose|Cyclooctaamylose|cyclooctapentylose|Dexy Pearl gamma-100|Dexy Pearl g-100|EINECS 241-482-4|Gamma cyclodextrin|gamma-CD|gamma-Dextrin|Rindex C|Ringdex C|Stereoisomer of 5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol|UNII-KZJ0BYZ5VA|g-Cyclodextrin|g-Cyclodextrine|g-Dextrin|1229648-15-0|1714824-80-2|2095261-38-2|216309-81-8|217487-02-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047033
ERPathway2016 ERPathway2016_1346 gamma-Cyclodextrin 17465-86-0 DTXSID5047033 ER Pathway Model, Antagonist Model Score 0 Unitless OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O gamma-Cyclodextrin 17465-86-0|gamma-Cyclodextrin|Cavamax 8 Food|Cavamax W 8|Cavamax W 8 Food|Celdex C 100|Celdex G 100|ciclooctapentilosa|Cyclomaltooctaose|Cyclooctaamylose|cyclooctapentylose|Dexy Pearl gamma-100|Dexy Pearl g-100|EINECS 241-482-4|Gamma cyclodextrin|gamma-CD|gamma-Dextrin|Rindex C|Ringdex C|Stereoisomer of 5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol|UNII-KZJ0BYZ5VA|g-Cyclodextrin|g-Cyclodextrine|g-Dextrin|1229648-15-0|1714824-80-2|2095261-38-2|216309-81-8|217487-02-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047033
ERPathway2016 ERPathway2016_1346 gamma-Cyclodextrin 17465-86-0 DTXSID5047033 ER Pathway Model, Agonist Call Inactive Unitless OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O gamma-Cyclodextrin 17465-86-0|gamma-Cyclodextrin|Cavamax 8 Food|Cavamax W 8|Cavamax W 8 Food|Celdex C 100|Celdex G 100|ciclooctapentilosa|Cyclomaltooctaose|Cyclooctaamylose|cyclooctapentylose|Dexy Pearl gamma-100|Dexy Pearl g-100|EINECS 241-482-4|Gamma cyclodextrin|gamma-CD|gamma-Dextrin|Rindex C|Ringdex C|Stereoisomer of 5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol|UNII-KZJ0BYZ5VA|g-Cyclodextrin|g-Cyclodextrine|g-Dextrin|1229648-15-0|1714824-80-2|2095261-38-2|216309-81-8|217487-02-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047033
ERPathway2016 ERPathway2016_1346 gamma-Cyclodextrin 17465-86-0 DTXSID5047033 ER Pathway Model, Antagonist Call Inactive Unitless OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O gamma-Cyclodextrin 17465-86-0|gamma-Cyclodextrin|Cavamax 8 Food|Cavamax W 8|Cavamax W 8 Food|Celdex C 100|Celdex G 100|ciclooctapentilosa|Cyclomaltooctaose|Cyclooctaamylose|cyclooctapentylose|Dexy Pearl gamma-100|Dexy Pearl g-100|EINECS 241-482-4|Gamma cyclodextrin|gamma-CD|gamma-Dextrin|Rindex C|Ringdex C|Stereoisomer of 5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol|UNII-KZJ0BYZ5VA|g-Cyclodextrin|g-Cyclodextrine|g-Dextrin|1229648-15-0|1714824-80-2|2095261-38-2|216309-81-8|217487-02-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047033
ARPathway2016 ARPathway2016_1506 gamma-Decanolactone 706-14-9 DTXSID4022109 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC1CCC(=O)O1 gamma-Decanolactone 706-14-9|gamma-Decanolactone|(+/-)-4-n-Hexylbutyrolactone|(+/-)-g-Decalactone|(+/-)-g-Decanolactone|(RS)-g-Decalactone|2-Decalactone|2(3H)-Furanone, 5-hexyldihydro-|211-892-8|4-Decanolide|4-Hexyl-4-butanolide|4-Hexyl-4-hydroxybutanoic acid lactone|4-Hexyl-gamma-butyrolactone|4-Hexyl-g-butyrolactone|4-Hydroxydecanoic acid lactone|4-Hydroxydecanoic acid g-lactone|4-Hydroxydecanoic acid, gamma-lactone|5-17-09-00093|5-Hexyldihydro-2(3H)-furanone|5-Hexyloxolan-2-one|5-Hexyltetrahydro-2-furanone|BRN 0117547|Capric acid, g-hydroxy-, lactone|DECALACTONE-g|Decan-4-olid|Decan-4-olide|decan-4-olido|decane-4-olide|Decanoic acid, 4-hydroxy-, gamma-lactone|Decanoic acid, 4-hydroxy-, g-lactone|Decanoic acid, gamma-lactone|Decanolactone|Decanolide-1,4|EC No.: 211-892-8|EINECS 211-892-8|FEMA No. 2360|FURAN(3H)-2-ONE, 5-HEXYLDIHYDRO-|gamma-Decalactone|gamma-Hexyl-gamma-butyrolactone|gamma-n-Decalactone|gamma-n-Hexyl-gamma-butyrolactone|Hydroxydecanoic acid gamma-lactone|NSC 24248|NSC 26510|UNII-7HLS05KP9O|g-DECALACTONE|g-Decanolactone|g-Decanol|1336-42-1|2825-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022109
ARPathway2016 ARPathway2016_1506 gamma-Decanolactone 706-14-9 DTXSID4022109 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCC1CCC(=O)O1 gamma-Decanolactone 706-14-9|gamma-Decanolactone|(+/-)-4-n-Hexylbutyrolactone|(+/-)-g-Decalactone|(+/-)-g-Decanolactone|(RS)-g-Decalactone|2-Decalactone|2(3H)-Furanone, 5-hexyldihydro-|211-892-8|4-Decanolide|4-Hexyl-4-butanolide|4-Hexyl-4-hydroxybutanoic acid lactone|4-Hexyl-gamma-butyrolactone|4-Hexyl-g-butyrolactone|4-Hydroxydecanoic acid lactone|4-Hydroxydecanoic acid g-lactone|4-Hydroxydecanoic acid, gamma-lactone|5-17-09-00093|5-Hexyldihydro-2(3H)-furanone|5-Hexyloxolan-2-one|5-Hexyltetrahydro-2-furanone|BRN 0117547|Capric acid, g-hydroxy-, lactone|DECALACTONE-g|Decan-4-olid|Decan-4-olide|decan-4-olido|decane-4-olide|Decanoic acid, 4-hydroxy-, gamma-lactone|Decanoic acid, 4-hydroxy-, g-lactone|Decanoic acid, gamma-lactone|Decanolactone|Decanolide-1,4|EC No.: 211-892-8|EINECS 211-892-8|FEMA No. 2360|FURAN(3H)-2-ONE, 5-HEXYLDIHYDRO-|gamma-Decalactone|gamma-Hexyl-gamma-butyrolactone|gamma-n-Decalactone|gamma-n-Hexyl-gamma-butyrolactone|Hydroxydecanoic acid gamma-lactone|NSC 24248|NSC 26510|UNII-7HLS05KP9O|g-DECALACTONE|g-Decanolactone|g-Decanol|1336-42-1|2825-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022109
ARPathway2016 ARPathway2016_1506 gamma-Decanolactone 706-14-9 DTXSID4022109 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCC1CCC(=O)O1 gamma-Decanolactone 706-14-9|gamma-Decanolactone|(+/-)-4-n-Hexylbutyrolactone|(+/-)-g-Decalactone|(+/-)-g-Decanolactone|(RS)-g-Decalactone|2-Decalactone|2(3H)-Furanone, 5-hexyldihydro-|211-892-8|4-Decanolide|4-Hexyl-4-butanolide|4-Hexyl-4-hydroxybutanoic acid lactone|4-Hexyl-gamma-butyrolactone|4-Hexyl-g-butyrolactone|4-Hydroxydecanoic acid lactone|4-Hydroxydecanoic acid g-lactone|4-Hydroxydecanoic acid, gamma-lactone|5-17-09-00093|5-Hexyldihydro-2(3H)-furanone|5-Hexyloxolan-2-one|5-Hexyltetrahydro-2-furanone|BRN 0117547|Capric acid, g-hydroxy-, lactone|DECALACTONE-g|Decan-4-olid|Decan-4-olide|decan-4-olido|decane-4-olide|Decanoic acid, 4-hydroxy-, gamma-lactone|Decanoic acid, 4-hydroxy-, g-lactone|Decanoic acid, gamma-lactone|Decanolactone|Decanolide-1,4|EC No.: 211-892-8|EINECS 211-892-8|FEMA No. 2360|FURAN(3H)-2-ONE, 5-HEXYLDIHYDRO-|gamma-Decalactone|gamma-Hexyl-gamma-butyrolactone|gamma-n-Decalactone|gamma-n-Hexyl-gamma-butyrolactone|Hydroxydecanoic acid gamma-lactone|NSC 24248|NSC 26510|UNII-7HLS05KP9O|g-DECALACTONE|g-Decanolactone|g-Decanol|1336-42-1|2825-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022109
ARPathway2016 ARPathway2016_1506 gamma-Decanolactone 706-14-9 DTXSID4022109 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCC1CCC(=O)O1 gamma-Decanolactone 706-14-9|gamma-Decanolactone|(+/-)-4-n-Hexylbutyrolactone|(+/-)-g-Decalactone|(+/-)-g-Decanolactone|(RS)-g-Decalactone|2-Decalactone|2(3H)-Furanone, 5-hexyldihydro-|211-892-8|4-Decanolide|4-Hexyl-4-butanolide|4-Hexyl-4-hydroxybutanoic acid lactone|4-Hexyl-gamma-butyrolactone|4-Hexyl-g-butyrolactone|4-Hydroxydecanoic acid lactone|4-Hydroxydecanoic acid g-lactone|4-Hydroxydecanoic acid, gamma-lactone|5-17-09-00093|5-Hexyldihydro-2(3H)-furanone|5-Hexyloxolan-2-one|5-Hexyltetrahydro-2-furanone|BRN 0117547|Capric acid, g-hydroxy-, lactone|DECALACTONE-g|Decan-4-olid|Decan-4-olide|decan-4-olido|decane-4-olide|Decanoic acid, 4-hydroxy-, gamma-lactone|Decanoic acid, 4-hydroxy-, g-lactone|Decanoic acid, gamma-lactone|Decanolactone|Decanolide-1,4|EC No.: 211-892-8|EINECS 211-892-8|FEMA No. 2360|FURAN(3H)-2-ONE, 5-HEXYLDIHYDRO-|gamma-Decalactone|gamma-Hexyl-gamma-butyrolactone|gamma-n-Decalactone|gamma-n-Hexyl-gamma-butyrolactone|Hydroxydecanoic acid gamma-lactone|NSC 24248|NSC 26510|UNII-7HLS05KP9O|g-DECALACTONE|g-Decanolactone|g-Decanol|1336-42-1|2825-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022109
ERPathway2016 ERPathway2016_1624 gamma-Decanolactone 706-14-9 DTXSID4022109 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCC1CCC(=O)O1 gamma-Decanolactone 706-14-9|gamma-Decanolactone|(+/-)-4-n-Hexylbutyrolactone|(+/-)-g-Decalactone|(+/-)-g-Decanolactone|(RS)-g-Decalactone|2-Decalactone|2(3H)-Furanone, 5-hexyldihydro-|211-892-8|4-Decanolide|4-Hexyl-4-butanolide|4-Hexyl-4-hydroxybutanoic acid lactone|4-Hexyl-gamma-butyrolactone|4-Hexyl-g-butyrolactone|4-Hydroxydecanoic acid lactone|4-Hydroxydecanoic acid g-lactone|4-Hydroxydecanoic acid, gamma-lactone|5-17-09-00093|5-Hexyldihydro-2(3H)-furanone|5-Hexyloxolan-2-one|5-Hexyltetrahydro-2-furanone|BRN 0117547|Capric acid, g-hydroxy-, lactone|DECALACTONE-g|Decan-4-olid|Decan-4-olide|decan-4-olido|decane-4-olide|Decanoic acid, 4-hydroxy-, gamma-lactone|Decanoic acid, 4-hydroxy-, g-lactone|Decanoic acid, gamma-lactone|Decanolactone|Decanolide-1,4|EC No.: 211-892-8|EINECS 211-892-8|FEMA No. 2360|FURAN(3H)-2-ONE, 5-HEXYLDIHYDRO-|gamma-Decalactone|gamma-Hexyl-gamma-butyrolactone|gamma-n-Decalactone|gamma-n-Hexyl-gamma-butyrolactone|Hydroxydecanoic acid gamma-lactone|NSC 24248|NSC 26510|UNII-7HLS05KP9O|g-DECALACTONE|g-Decanolactone|g-Decanol|1336-42-1|2825-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022109
ERPathway2016 ERPathway2016_1624 gamma-Decanolactone 706-14-9 DTXSID4022109 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC1CCC(=O)O1 gamma-Decanolactone 706-14-9|gamma-Decanolactone|(+/-)-4-n-Hexylbutyrolactone|(+/-)-g-Decalactone|(+/-)-g-Decanolactone|(RS)-g-Decalactone|2-Decalactone|2(3H)-Furanone, 5-hexyldihydro-|211-892-8|4-Decanolide|4-Hexyl-4-butanolide|4-Hexyl-4-hydroxybutanoic acid lactone|4-Hexyl-gamma-butyrolactone|4-Hexyl-g-butyrolactone|4-Hydroxydecanoic acid lactone|4-Hydroxydecanoic acid g-lactone|4-Hydroxydecanoic acid, gamma-lactone|5-17-09-00093|5-Hexyldihydro-2(3H)-furanone|5-Hexyloxolan-2-one|5-Hexyltetrahydro-2-furanone|BRN 0117547|Capric acid, g-hydroxy-, lactone|DECALACTONE-g|Decan-4-olid|Decan-4-olide|decan-4-olido|decane-4-olide|Decanoic acid, 4-hydroxy-, gamma-lactone|Decanoic acid, 4-hydroxy-, g-lactone|Decanoic acid, gamma-lactone|Decanolactone|Decanolide-1,4|EC No.: 211-892-8|EINECS 211-892-8|FEMA No. 2360|FURAN(3H)-2-ONE, 5-HEXYLDIHYDRO-|gamma-Decalactone|gamma-Hexyl-gamma-butyrolactone|gamma-n-Decalactone|gamma-n-Hexyl-gamma-butyrolactone|Hydroxydecanoic acid gamma-lactone|NSC 24248|NSC 26510|UNII-7HLS05KP9O|g-DECALACTONE|g-Decanolactone|g-Decanol|1336-42-1|2825-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022109
ERPathway2016 ERPathway2016_1624 gamma-Decanolactone 706-14-9 DTXSID4022109 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCC1CCC(=O)O1 gamma-Decanolactone 706-14-9|gamma-Decanolactone|(+/-)-4-n-Hexylbutyrolactone|(+/-)-g-Decalactone|(+/-)-g-Decanolactone|(RS)-g-Decalactone|2-Decalactone|2(3H)-Furanone, 5-hexyldihydro-|211-892-8|4-Decanolide|4-Hexyl-4-butanolide|4-Hexyl-4-hydroxybutanoic acid lactone|4-Hexyl-gamma-butyrolactone|4-Hexyl-g-butyrolactone|4-Hydroxydecanoic acid lactone|4-Hydroxydecanoic acid g-lactone|4-Hydroxydecanoic acid, gamma-lactone|5-17-09-00093|5-Hexyldihydro-2(3H)-furanone|5-Hexyloxolan-2-one|5-Hexyltetrahydro-2-furanone|BRN 0117547|Capric acid, g-hydroxy-, lactone|DECALACTONE-g|Decan-4-olid|Decan-4-olide|decan-4-olido|decane-4-olide|Decanoic acid, 4-hydroxy-, gamma-lactone|Decanoic acid, 4-hydroxy-, g-lactone|Decanoic acid, gamma-lactone|Decanolactone|Decanolide-1,4|EC No.: 211-892-8|EINECS 211-892-8|FEMA No. 2360|FURAN(3H)-2-ONE, 5-HEXYLDIHYDRO-|gamma-Decalactone|gamma-Hexyl-gamma-butyrolactone|gamma-n-Decalactone|gamma-n-Hexyl-gamma-butyrolactone|Hydroxydecanoic acid gamma-lactone|NSC 24248|NSC 26510|UNII-7HLS05KP9O|g-DECALACTONE|g-Decanolactone|g-Decanol|1336-42-1|2825-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022109
ERPathway2016 ERPathway2016_1624 gamma-Decanolactone 706-14-9 DTXSID4022109 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCC1CCC(=O)O1 gamma-Decanolactone 706-14-9|gamma-Decanolactone|(+/-)-4-n-Hexylbutyrolactone|(+/-)-g-Decalactone|(+/-)-g-Decanolactone|(RS)-g-Decalactone|2-Decalactone|2(3H)-Furanone, 5-hexyldihydro-|211-892-8|4-Decanolide|4-Hexyl-4-butanolide|4-Hexyl-4-hydroxybutanoic acid lactone|4-Hexyl-gamma-butyrolactone|4-Hexyl-g-butyrolactone|4-Hydroxydecanoic acid lactone|4-Hydroxydecanoic acid g-lactone|4-Hydroxydecanoic acid, gamma-lactone|5-17-09-00093|5-Hexyldihydro-2(3H)-furanone|5-Hexyloxolan-2-one|5-Hexyltetrahydro-2-furanone|BRN 0117547|Capric acid, g-hydroxy-, lactone|DECALACTONE-g|Decan-4-olid|Decan-4-olide|decan-4-olido|decane-4-olide|Decanoic acid, 4-hydroxy-, gamma-lactone|Decanoic acid, 4-hydroxy-, g-lactone|Decanoic acid, gamma-lactone|Decanolactone|Decanolide-1,4|EC No.: 211-892-8|EINECS 211-892-8|FEMA No. 2360|FURAN(3H)-2-ONE, 5-HEXYLDIHYDRO-|gamma-Decalactone|gamma-Hexyl-gamma-butyrolactone|gamma-n-Decalactone|gamma-n-Hexyl-gamma-butyrolactone|Hydroxydecanoic acid gamma-lactone|NSC 24248|NSC 26510|UNII-7HLS05KP9O|g-DECALACTONE|g-Decanolactone|g-Decanol|1336-42-1|2825-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022109
ARPathway2016 ARPathway2016_454 gamma-Heptalactone 105-21-5 DTXSID5047611 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC1CCC(=O)O1 gamma-Heptalactone 105-21-5|gamma-Heptalactone|(+/-)-4-Heptanolide|(+/-)-Dihydro-5-propyl-2(3H)-furanone|(+/-)-gamma-propyl-gamma-butyrolactone|1,4-Heptanolide|2(3H)-Furanone, dihydro-5-propyl-|4-Hydroxyheptanoic acid lactone|4-Hydroxyheptanoic acid, gamma-lactone|4-Propyl-4-hydroxybutanoic acid lactone|5-Propyl-tetrahydro-furan-2-one|BRN 0109569|Dihydro-5-propyl-2(3H)-furanone|EINECS 203-279-9|FEMA No. 2539|gamma-Heptalactone|gamma-Heptanolactone|gamma-Propiobutyrolactone|gamma-Propyl-gamma-butyrolactone|Heptan-4-olide|Heptanolide-4,1|NSC 46097|UNII-U4XIN3U7DH|1336-71-6|57129-71-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047611
ARPathway2016 ARPathway2016_454 gamma-Heptalactone 105-21-5 DTXSID5047611 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCC1CCC(=O)O1 gamma-Heptalactone 105-21-5|gamma-Heptalactone|(+/-)-4-Heptanolide|(+/-)-Dihydro-5-propyl-2(3H)-furanone|(+/-)-gamma-propyl-gamma-butyrolactone|1,4-Heptanolide|2(3H)-Furanone, dihydro-5-propyl-|4-Hydroxyheptanoic acid lactone|4-Hydroxyheptanoic acid, gamma-lactone|4-Propyl-4-hydroxybutanoic acid lactone|5-Propyl-tetrahydro-furan-2-one|BRN 0109569|Dihydro-5-propyl-2(3H)-furanone|EINECS 203-279-9|FEMA No. 2539|gamma-Heptalactone|gamma-Heptanolactone|gamma-Propiobutyrolactone|gamma-Propyl-gamma-butyrolactone|Heptan-4-olide|Heptanolide-4,1|NSC 46097|UNII-U4XIN3U7DH|1336-71-6|57129-71-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047611
ARPathway2016 ARPathway2016_454 gamma-Heptalactone 105-21-5 DTXSID5047611 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCC1CCC(=O)O1 gamma-Heptalactone 105-21-5|gamma-Heptalactone|(+/-)-4-Heptanolide|(+/-)-Dihydro-5-propyl-2(3H)-furanone|(+/-)-gamma-propyl-gamma-butyrolactone|1,4-Heptanolide|2(3H)-Furanone, dihydro-5-propyl-|4-Hydroxyheptanoic acid lactone|4-Hydroxyheptanoic acid, gamma-lactone|4-Propyl-4-hydroxybutanoic acid lactone|5-Propyl-tetrahydro-furan-2-one|BRN 0109569|Dihydro-5-propyl-2(3H)-furanone|EINECS 203-279-9|FEMA No. 2539|gamma-Heptalactone|gamma-Heptanolactone|gamma-Propiobutyrolactone|gamma-Propyl-gamma-butyrolactone|Heptan-4-olide|Heptanolide-4,1|NSC 46097|UNII-U4XIN3U7DH|1336-71-6|57129-71-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047611
ARPathway2016 ARPathway2016_454 gamma-Heptalactone 105-21-5 DTXSID5047611 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCC1CCC(=O)O1 gamma-Heptalactone 105-21-5|gamma-Heptalactone|(+/-)-4-Heptanolide|(+/-)-Dihydro-5-propyl-2(3H)-furanone|(+/-)-gamma-propyl-gamma-butyrolactone|1,4-Heptanolide|2(3H)-Furanone, dihydro-5-propyl-|4-Hydroxyheptanoic acid lactone|4-Hydroxyheptanoic acid, gamma-lactone|4-Propyl-4-hydroxybutanoic acid lactone|5-Propyl-tetrahydro-furan-2-one|BRN 0109569|Dihydro-5-propyl-2(3H)-furanone|EINECS 203-279-9|FEMA No. 2539|gamma-Heptalactone|gamma-Heptanolactone|gamma-Propiobutyrolactone|gamma-Propyl-gamma-butyrolactone|Heptan-4-olide|Heptanolide-4,1|NSC 46097|UNII-U4XIN3U7DH|1336-71-6|57129-71-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047611
ERPathway2016 ERPathway2016_1081 gamma-Heptalactone 105-21-5 DTXSID5047611 ER Pathway Model, Agonist Model Score 0 Unitless CCCC1CCC(=O)O1 gamma-Heptalactone 105-21-5|gamma-Heptalactone|(+/-)-4-Heptanolide|(+/-)-Dihydro-5-propyl-2(3H)-furanone|(+/-)-gamma-propyl-gamma-butyrolactone|1,4-Heptanolide|2(3H)-Furanone, dihydro-5-propyl-|4-Hydroxyheptanoic acid lactone|4-Hydroxyheptanoic acid, gamma-lactone|4-Propyl-4-hydroxybutanoic acid lactone|5-Propyl-tetrahydro-furan-2-one|BRN 0109569|Dihydro-5-propyl-2(3H)-furanone|EINECS 203-279-9|FEMA No. 2539|gamma-Heptalactone|gamma-Heptanolactone|gamma-Propiobutyrolactone|gamma-Propyl-gamma-butyrolactone|Heptan-4-olide|Heptanolide-4,1|NSC 46097|UNII-U4XIN3U7DH|1336-71-6|57129-71-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047611
ERPathway2016 ERPathway2016_1081 gamma-Heptalactone 105-21-5 DTXSID5047611 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC1CCC(=O)O1 gamma-Heptalactone 105-21-5|gamma-Heptalactone|(+/-)-4-Heptanolide|(+/-)-Dihydro-5-propyl-2(3H)-furanone|(+/-)-gamma-propyl-gamma-butyrolactone|1,4-Heptanolide|2(3H)-Furanone, dihydro-5-propyl-|4-Hydroxyheptanoic acid lactone|4-Hydroxyheptanoic acid, gamma-lactone|4-Propyl-4-hydroxybutanoic acid lactone|5-Propyl-tetrahydro-furan-2-one|BRN 0109569|Dihydro-5-propyl-2(3H)-furanone|EINECS 203-279-9|FEMA No. 2539|gamma-Heptalactone|gamma-Heptanolactone|gamma-Propiobutyrolactone|gamma-Propyl-gamma-butyrolactone|Heptan-4-olide|Heptanolide-4,1|NSC 46097|UNII-U4XIN3U7DH|1336-71-6|57129-71-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047611
ERPathway2016 ERPathway2016_1081 gamma-Heptalactone 105-21-5 DTXSID5047611 ER Pathway Model, Agonist Call Inactive Unitless CCCC1CCC(=O)O1 gamma-Heptalactone 105-21-5|gamma-Heptalactone|(+/-)-4-Heptanolide|(+/-)-Dihydro-5-propyl-2(3H)-furanone|(+/-)-gamma-propyl-gamma-butyrolactone|1,4-Heptanolide|2(3H)-Furanone, dihydro-5-propyl-|4-Hydroxyheptanoic acid lactone|4-Hydroxyheptanoic acid, gamma-lactone|4-Propyl-4-hydroxybutanoic acid lactone|5-Propyl-tetrahydro-furan-2-one|BRN 0109569|Dihydro-5-propyl-2(3H)-furanone|EINECS 203-279-9|FEMA No. 2539|gamma-Heptalactone|gamma-Heptanolactone|gamma-Propiobutyrolactone|gamma-Propyl-gamma-butyrolactone|Heptan-4-olide|Heptanolide-4,1|NSC 46097|UNII-U4XIN3U7DH|1336-71-6|57129-71-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047611
ERPathway2016 ERPathway2016_1081 gamma-Heptalactone 105-21-5 DTXSID5047611 ER Pathway Model, Antagonist Call Inactive Unitless CCCC1CCC(=O)O1 gamma-Heptalactone 105-21-5|gamma-Heptalactone|(+/-)-4-Heptanolide|(+/-)-Dihydro-5-propyl-2(3H)-furanone|(+/-)-gamma-propyl-gamma-butyrolactone|1,4-Heptanolide|2(3H)-Furanone, dihydro-5-propyl-|4-Hydroxyheptanoic acid lactone|4-Hydroxyheptanoic acid, gamma-lactone|4-Propyl-4-hydroxybutanoic acid lactone|5-Propyl-tetrahydro-furan-2-one|BRN 0109569|Dihydro-5-propyl-2(3H)-furanone|EINECS 203-279-9|FEMA No. 2539|gamma-Heptalactone|gamma-Heptanolactone|gamma-Propiobutyrolactone|gamma-Propyl-gamma-butyrolactone|Heptan-4-olide|Heptanolide-4,1|NSC 46097|UNII-U4XIN3U7DH|1336-71-6|57129-71-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047611
ARPathway2016 ARPathway2016_449 gamma-Nonanolactone 104-61-0 DTXSID0034229 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCC1CCC(=O)O1 gamma-Nonanolactone 104-61-0|gamma-Nonanolactone|1,4-Nonalolide|1,4-Nonyl lactone|2(3H)-Furanone, dihydro-5-pentyl-|2(3H)-Furanone,dihydro-5-pentyl-|4-Amyl-4-hydroxybutyric acid lactone|4-Hydroxynonanoic acid lactone|4-Hydroxynonanoic acid, gamma-lactone|4-Nonalactone|4-Nonanolide|4-Pentyl-butanolide|Aldehyde C-18|Aldehyde C18|Apricolin|Coconut aldehyde|Cocos aldehyde|delta-n-Amylbutyrolactone|Dihydro-5-pentyl-2(3H)-furanone|EINECS 203-219-1|FEMA No. 2781|FEMA Number 2781|gamma-Amyl-gamma-butyrolactone|gamma-N-Amylbutyrolactone|gamma-Nonanoic lactone|gamma-Nonanolide|gamma-Nonylactone|gamma-Nonyllactone|gamma-Pelargolactone|gamma-Pentyl-gamma-butyrolactone|LACTONE C-9 g-|NONALACTONE-g, ALDEHYDE C18|NONALACTONE, g-|Nonan-1,4-olide|Nonan-4-olid|Nonan-4-olide|nonan-4-olido|nonane-4-olide|Nonanoic acid, 4-hydroxy-, gamma-lactone|Nonanoic acid, 4-hydroxy-, g-lactone|NSC 24253|NSC 46099|Prunolide|UNII-I1XGH66S8P|g-Amyl-g-butyrolactone|g-Amylbutyrolactone|g-n-Amylbutyrolactone|g-Nonalactone|g-Nonanolactone|g-Nonanolide|g-Pentyl-g-butyrolactone|d-n-Am|57084-16-9|82373-92-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034229
ARPathway2016 ARPathway2016_449 gamma-Nonanolactone 104-61-0 DTXSID0034229 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCC1CCC(=O)O1 gamma-Nonanolactone 104-61-0|gamma-Nonanolactone|1,4-Nonalolide|1,4-Nonyl lactone|2(3H)-Furanone, dihydro-5-pentyl-|2(3H)-Furanone,dihydro-5-pentyl-|4-Amyl-4-hydroxybutyric acid lactone|4-Hydroxynonanoic acid lactone|4-Hydroxynonanoic acid, gamma-lactone|4-Nonalactone|4-Nonanolide|4-Pentyl-butanolide|Aldehyde C-18|Aldehyde C18|Apricolin|Coconut aldehyde|Cocos aldehyde|delta-n-Amylbutyrolactone|Dihydro-5-pentyl-2(3H)-furanone|EINECS 203-219-1|FEMA No. 2781|FEMA Number 2781|gamma-Amyl-gamma-butyrolactone|gamma-N-Amylbutyrolactone|gamma-Nonanoic lactone|gamma-Nonanolide|gamma-Nonylactone|gamma-Nonyllactone|gamma-Pelargolactone|gamma-Pentyl-gamma-butyrolactone|LACTONE C-9 g-|NONALACTONE-g, ALDEHYDE C18|NONALACTONE, g-|Nonan-1,4-olide|Nonan-4-olid|Nonan-4-olide|nonan-4-olido|nonane-4-olide|Nonanoic acid, 4-hydroxy-, gamma-lactone|Nonanoic acid, 4-hydroxy-, g-lactone|NSC 24253|NSC 46099|Prunolide|UNII-I1XGH66S8P|g-Amyl-g-butyrolactone|g-Amylbutyrolactone|g-n-Amylbutyrolactone|g-Nonalactone|g-Nonanolactone|g-Nonanolide|g-Pentyl-g-butyrolactone|d-n-Am|57084-16-9|82373-92-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034229
ARPathway2016 ARPathway2016_449 gamma-Nonanolactone 104-61-0 DTXSID0034229 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCC1CCC(=O)O1 gamma-Nonanolactone 104-61-0|gamma-Nonanolactone|1,4-Nonalolide|1,4-Nonyl lactone|2(3H)-Furanone, dihydro-5-pentyl-|2(3H)-Furanone,dihydro-5-pentyl-|4-Amyl-4-hydroxybutyric acid lactone|4-Hydroxynonanoic acid lactone|4-Hydroxynonanoic acid, gamma-lactone|4-Nonalactone|4-Nonanolide|4-Pentyl-butanolide|Aldehyde C-18|Aldehyde C18|Apricolin|Coconut aldehyde|Cocos aldehyde|delta-n-Amylbutyrolactone|Dihydro-5-pentyl-2(3H)-furanone|EINECS 203-219-1|FEMA No. 2781|FEMA Number 2781|gamma-Amyl-gamma-butyrolactone|gamma-N-Amylbutyrolactone|gamma-Nonanoic lactone|gamma-Nonanolide|gamma-Nonylactone|gamma-Nonyllactone|gamma-Pelargolactone|gamma-Pentyl-gamma-butyrolactone|LACTONE C-9 g-|NONALACTONE-g, ALDEHYDE C18|NONALACTONE, g-|Nonan-1,4-olide|Nonan-4-olid|Nonan-4-olide|nonan-4-olido|nonane-4-olide|Nonanoic acid, 4-hydroxy-, gamma-lactone|Nonanoic acid, 4-hydroxy-, g-lactone|NSC 24253|NSC 46099|Prunolide|UNII-I1XGH66S8P|g-Amyl-g-butyrolactone|g-Amylbutyrolactone|g-n-Amylbutyrolactone|g-Nonalactone|g-Nonanolactone|g-Nonanolide|g-Pentyl-g-butyrolactone|d-n-Am|57084-16-9|82373-92-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034229
ARPathway2016 ARPathway2016_449 gamma-Nonanolactone 104-61-0 DTXSID0034229 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCC1CCC(=O)O1 gamma-Nonanolactone 104-61-0|gamma-Nonanolactone|1,4-Nonalolide|1,4-Nonyl lactone|2(3H)-Furanone, dihydro-5-pentyl-|2(3H)-Furanone,dihydro-5-pentyl-|4-Amyl-4-hydroxybutyric acid lactone|4-Hydroxynonanoic acid lactone|4-Hydroxynonanoic acid, gamma-lactone|4-Nonalactone|4-Nonanolide|4-Pentyl-butanolide|Aldehyde C-18|Aldehyde C18|Apricolin|Coconut aldehyde|Cocos aldehyde|delta-n-Amylbutyrolactone|Dihydro-5-pentyl-2(3H)-furanone|EINECS 203-219-1|FEMA No. 2781|FEMA Number 2781|gamma-Amyl-gamma-butyrolactone|gamma-N-Amylbutyrolactone|gamma-Nonanoic lactone|gamma-Nonanolide|gamma-Nonylactone|gamma-Nonyllactone|gamma-Pelargolactone|gamma-Pentyl-gamma-butyrolactone|LACTONE C-9 g-|NONALACTONE-g, ALDEHYDE C18|NONALACTONE, g-|Nonan-1,4-olide|Nonan-4-olid|Nonan-4-olide|nonan-4-olido|nonane-4-olide|Nonanoic acid, 4-hydroxy-, gamma-lactone|Nonanoic acid, 4-hydroxy-, g-lactone|NSC 24253|NSC 46099|Prunolide|UNII-I1XGH66S8P|g-Amyl-g-butyrolactone|g-Amylbutyrolactone|g-n-Amylbutyrolactone|g-Nonalactone|g-Nonanolactone|g-Nonanolide|g-Pentyl-g-butyrolactone|d-n-Am|57084-16-9|82373-92-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034229
ERPathway2016 ERPathway2016_1077 gamma-Nonanolactone 104-61-0 DTXSID0034229 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCC1CCC(=O)O1 gamma-Nonanolactone 104-61-0|gamma-Nonanolactone|1,4-Nonalolide|1,4-Nonyl lactone|2(3H)-Furanone, dihydro-5-pentyl-|2(3H)-Furanone,dihydro-5-pentyl-|4-Amyl-4-hydroxybutyric acid lactone|4-Hydroxynonanoic acid lactone|4-Hydroxynonanoic acid, gamma-lactone|4-Nonalactone|4-Nonanolide|4-Pentyl-butanolide|Aldehyde C-18|Aldehyde C18|Apricolin|Coconut aldehyde|Cocos aldehyde|delta-n-Amylbutyrolactone|Dihydro-5-pentyl-2(3H)-furanone|EINECS 203-219-1|FEMA No. 2781|FEMA Number 2781|gamma-Amyl-gamma-butyrolactone|gamma-N-Amylbutyrolactone|gamma-Nonanoic lactone|gamma-Nonanolide|gamma-Nonylactone|gamma-Nonyllactone|gamma-Pelargolactone|gamma-Pentyl-gamma-butyrolactone|LACTONE C-9 g-|NONALACTONE-g, ALDEHYDE C18|NONALACTONE, g-|Nonan-1,4-olide|Nonan-4-olid|Nonan-4-olide|nonan-4-olido|nonane-4-olide|Nonanoic acid, 4-hydroxy-, gamma-lactone|Nonanoic acid, 4-hydroxy-, g-lactone|NSC 24253|NSC 46099|Prunolide|UNII-I1XGH66S8P|g-Amyl-g-butyrolactone|g-Amylbutyrolactone|g-n-Amylbutyrolactone|g-Nonalactone|g-Nonanolactone|g-Nonanolide|g-Pentyl-g-butyrolactone|d-n-Am|57084-16-9|82373-92-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034229
ERPathway2016 ERPathway2016_1077 gamma-Nonanolactone 104-61-0 DTXSID0034229 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCC1CCC(=O)O1 gamma-Nonanolactone 104-61-0|gamma-Nonanolactone|1,4-Nonalolide|1,4-Nonyl lactone|2(3H)-Furanone, dihydro-5-pentyl-|2(3H)-Furanone,dihydro-5-pentyl-|4-Amyl-4-hydroxybutyric acid lactone|4-Hydroxynonanoic acid lactone|4-Hydroxynonanoic acid, gamma-lactone|4-Nonalactone|4-Nonanolide|4-Pentyl-butanolide|Aldehyde C-18|Aldehyde C18|Apricolin|Coconut aldehyde|Cocos aldehyde|delta-n-Amylbutyrolactone|Dihydro-5-pentyl-2(3H)-furanone|EINECS 203-219-1|FEMA No. 2781|FEMA Number 2781|gamma-Amyl-gamma-butyrolactone|gamma-N-Amylbutyrolactone|gamma-Nonanoic lactone|gamma-Nonanolide|gamma-Nonylactone|gamma-Nonyllactone|gamma-Pelargolactone|gamma-Pentyl-gamma-butyrolactone|LACTONE C-9 g-|NONALACTONE-g, ALDEHYDE C18|NONALACTONE, g-|Nonan-1,4-olide|Nonan-4-olid|Nonan-4-olide|nonan-4-olido|nonane-4-olide|Nonanoic acid, 4-hydroxy-, gamma-lactone|Nonanoic acid, 4-hydroxy-, g-lactone|NSC 24253|NSC 46099|Prunolide|UNII-I1XGH66S8P|g-Amyl-g-butyrolactone|g-Amylbutyrolactone|g-n-Amylbutyrolactone|g-Nonalactone|g-Nonanolactone|g-Nonanolide|g-Pentyl-g-butyrolactone|d-n-Am|57084-16-9|82373-92-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034229
ERPathway2016 ERPathway2016_1077 gamma-Nonanolactone 104-61-0 DTXSID0034229 ER Pathway Model, Agonist Call Inactive Unitless CCCCCC1CCC(=O)O1 gamma-Nonanolactone 104-61-0|gamma-Nonanolactone|1,4-Nonalolide|1,4-Nonyl lactone|2(3H)-Furanone, dihydro-5-pentyl-|2(3H)-Furanone,dihydro-5-pentyl-|4-Amyl-4-hydroxybutyric acid lactone|4-Hydroxynonanoic acid lactone|4-Hydroxynonanoic acid, gamma-lactone|4-Nonalactone|4-Nonanolide|4-Pentyl-butanolide|Aldehyde C-18|Aldehyde C18|Apricolin|Coconut aldehyde|Cocos aldehyde|delta-n-Amylbutyrolactone|Dihydro-5-pentyl-2(3H)-furanone|EINECS 203-219-1|FEMA No. 2781|FEMA Number 2781|gamma-Amyl-gamma-butyrolactone|gamma-N-Amylbutyrolactone|gamma-Nonanoic lactone|gamma-Nonanolide|gamma-Nonylactone|gamma-Nonyllactone|gamma-Pelargolactone|gamma-Pentyl-gamma-butyrolactone|LACTONE C-9 g-|NONALACTONE-g, ALDEHYDE C18|NONALACTONE, g-|Nonan-1,4-olide|Nonan-4-olid|Nonan-4-olide|nonan-4-olido|nonane-4-olide|Nonanoic acid, 4-hydroxy-, gamma-lactone|Nonanoic acid, 4-hydroxy-, g-lactone|NSC 24253|NSC 46099|Prunolide|UNII-I1XGH66S8P|g-Amyl-g-butyrolactone|g-Amylbutyrolactone|g-n-Amylbutyrolactone|g-Nonalactone|g-Nonanolactone|g-Nonanolide|g-Pentyl-g-butyrolactone|d-n-Am|57084-16-9|82373-92-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034229
ERPathway2016 ERPathway2016_1077 gamma-Nonanolactone 104-61-0 DTXSID0034229 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCC1CCC(=O)O1 gamma-Nonanolactone 104-61-0|gamma-Nonanolactone|1,4-Nonalolide|1,4-Nonyl lactone|2(3H)-Furanone, dihydro-5-pentyl-|2(3H)-Furanone,dihydro-5-pentyl-|4-Amyl-4-hydroxybutyric acid lactone|4-Hydroxynonanoic acid lactone|4-Hydroxynonanoic acid, gamma-lactone|4-Nonalactone|4-Nonanolide|4-Pentyl-butanolide|Aldehyde C-18|Aldehyde C18|Apricolin|Coconut aldehyde|Cocos aldehyde|delta-n-Amylbutyrolactone|Dihydro-5-pentyl-2(3H)-furanone|EINECS 203-219-1|FEMA No. 2781|FEMA Number 2781|gamma-Amyl-gamma-butyrolactone|gamma-N-Amylbutyrolactone|gamma-Nonanoic lactone|gamma-Nonanolide|gamma-Nonylactone|gamma-Nonyllactone|gamma-Pelargolactone|gamma-Pentyl-gamma-butyrolactone|LACTONE C-9 g-|NONALACTONE-g, ALDEHYDE C18|NONALACTONE, g-|Nonan-1,4-olide|Nonan-4-olid|Nonan-4-olide|nonan-4-olido|nonane-4-olide|Nonanoic acid, 4-hydroxy-, gamma-lactone|Nonanoic acid, 4-hydroxy-, g-lactone|NSC 24253|NSC 46099|Prunolide|UNII-I1XGH66S8P|g-Amyl-g-butyrolactone|g-Amylbutyrolactone|g-n-Amylbutyrolactone|g-Nonalactone|g-Nonanolactone|g-Nonanolide|g-Pentyl-g-butyrolactone|d-n-Am|57084-16-9|82373-92-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034229
ARPathway2016 ARPathway2016_1824 gamma-Terpinene 99-85-4 DTXSID6041210 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CCC(C)=CC1 gamma-Terpinene 99-85-4|gamma-Terpinene|1-Isopropyl-4-methyl-1,4-cyclohexadiene|1-isopropyl-4-methyl-cyclohexa-1,4-diene|1-Isopropyl-4-methylcyclohexa-1,4-diene|1-Methyl-4-(1-methylethyl)-1,4-cyclohexadiene|1-Methyl-4-(propan-2-yl)cyclohexa-1,4-diene|1-Methyl-4-isopropyl-1,4-cyclohexadiene|1-Methyl-4-isopropylcyclohexadiene-1,4|1-methyl-4-propan-2-yl-cyclohexa-1,4-diene|1-methyl-4-propan-2-ylcyclohexa-1,4-diene|1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|1,4-Cyclohexadiene, 1-methyl-4-isopropyl-|1,4-p-Menthadiene|4-Isopropyl-1-methyl-1,4-cyclohexadiene|Crithmene|CYCLOHEXA-1,4-DIENE, 1-METHYL-4-(1-METHYLETHYL)-|EINECS 202-794-6|FEMA No. 3559|gamma Terpinene|gamma-Terpinen|Moslene|NSC 21448|p-menta-1,4-dieno|p-Mentha-1,4-dien|p-Mentha-1,4-diene|Terpinene|TERPINENE, ALPHA|TERPINENE, g|UNII-4YGF4PQP49|g-Terpinen|g-Terpinene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041210
ARPathway2016 ARPathway2016_1824 gamma-Terpinene 99-85-4 DTXSID6041210 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CCC(C)=CC1 gamma-Terpinene 99-85-4|gamma-Terpinene|1-Isopropyl-4-methyl-1,4-cyclohexadiene|1-isopropyl-4-methyl-cyclohexa-1,4-diene|1-Isopropyl-4-methylcyclohexa-1,4-diene|1-Methyl-4-(1-methylethyl)-1,4-cyclohexadiene|1-Methyl-4-(propan-2-yl)cyclohexa-1,4-diene|1-Methyl-4-isopropyl-1,4-cyclohexadiene|1-Methyl-4-isopropylcyclohexadiene-1,4|1-methyl-4-propan-2-yl-cyclohexa-1,4-diene|1-methyl-4-propan-2-ylcyclohexa-1,4-diene|1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|1,4-Cyclohexadiene, 1-methyl-4-isopropyl-|1,4-p-Menthadiene|4-Isopropyl-1-methyl-1,4-cyclohexadiene|Crithmene|CYCLOHEXA-1,4-DIENE, 1-METHYL-4-(1-METHYLETHYL)-|EINECS 202-794-6|FEMA No. 3559|gamma Terpinene|gamma-Terpinen|Moslene|NSC 21448|p-menta-1,4-dieno|p-Mentha-1,4-dien|p-Mentha-1,4-diene|Terpinene|TERPINENE, ALPHA|TERPINENE, g|UNII-4YGF4PQP49|g-Terpinen|g-Terpinene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041210
ARPathway2016 ARPathway2016_1824 gamma-Terpinene 99-85-4 DTXSID6041210 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CCC(C)=CC1 gamma-Terpinene 99-85-4|gamma-Terpinene|1-Isopropyl-4-methyl-1,4-cyclohexadiene|1-isopropyl-4-methyl-cyclohexa-1,4-diene|1-Isopropyl-4-methylcyclohexa-1,4-diene|1-Methyl-4-(1-methylethyl)-1,4-cyclohexadiene|1-Methyl-4-(propan-2-yl)cyclohexa-1,4-diene|1-Methyl-4-isopropyl-1,4-cyclohexadiene|1-Methyl-4-isopropylcyclohexadiene-1,4|1-methyl-4-propan-2-yl-cyclohexa-1,4-diene|1-methyl-4-propan-2-ylcyclohexa-1,4-diene|1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|1,4-Cyclohexadiene, 1-methyl-4-isopropyl-|1,4-p-Menthadiene|4-Isopropyl-1-methyl-1,4-cyclohexadiene|Crithmene|CYCLOHEXA-1,4-DIENE, 1-METHYL-4-(1-METHYLETHYL)-|EINECS 202-794-6|FEMA No. 3559|gamma Terpinene|gamma-Terpinen|Moslene|NSC 21448|p-menta-1,4-dieno|p-Mentha-1,4-dien|p-Mentha-1,4-diene|Terpinene|TERPINENE, ALPHA|TERPINENE, g|UNII-4YGF4PQP49|g-Terpinen|g-Terpinene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041210
ARPathway2016 ARPathway2016_1824 gamma-Terpinene 99-85-4 DTXSID6041210 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CCC(C)=CC1 gamma-Terpinene 99-85-4|gamma-Terpinene|1-Isopropyl-4-methyl-1,4-cyclohexadiene|1-isopropyl-4-methyl-cyclohexa-1,4-diene|1-Isopropyl-4-methylcyclohexa-1,4-diene|1-Methyl-4-(1-methylethyl)-1,4-cyclohexadiene|1-Methyl-4-(propan-2-yl)cyclohexa-1,4-diene|1-Methyl-4-isopropyl-1,4-cyclohexadiene|1-Methyl-4-isopropylcyclohexadiene-1,4|1-methyl-4-propan-2-yl-cyclohexa-1,4-diene|1-methyl-4-propan-2-ylcyclohexa-1,4-diene|1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|1,4-Cyclohexadiene, 1-methyl-4-isopropyl-|1,4-p-Menthadiene|4-Isopropyl-1-methyl-1,4-cyclohexadiene|Crithmene|CYCLOHEXA-1,4-DIENE, 1-METHYL-4-(1-METHYLETHYL)-|EINECS 202-794-6|FEMA No. 3559|gamma Terpinene|gamma-Terpinen|Moslene|NSC 21448|p-menta-1,4-dieno|p-Mentha-1,4-dien|p-Mentha-1,4-diene|Terpinene|TERPINENE, ALPHA|TERPINENE, g|UNII-4YGF4PQP49|g-Terpinen|g-Terpinene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041210
ERPathway2016 ERPathway2016_1801 gamma-Terpinene 99-85-4 DTXSID6041210 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CCC(C)=CC1 gamma-Terpinene 99-85-4|gamma-Terpinene|1-Isopropyl-4-methyl-1,4-cyclohexadiene|1-isopropyl-4-methyl-cyclohexa-1,4-diene|1-Isopropyl-4-methylcyclohexa-1,4-diene|1-Methyl-4-(1-methylethyl)-1,4-cyclohexadiene|1-Methyl-4-(propan-2-yl)cyclohexa-1,4-diene|1-Methyl-4-isopropyl-1,4-cyclohexadiene|1-Methyl-4-isopropylcyclohexadiene-1,4|1-methyl-4-propan-2-yl-cyclohexa-1,4-diene|1-methyl-4-propan-2-ylcyclohexa-1,4-diene|1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|1,4-Cyclohexadiene, 1-methyl-4-isopropyl-|1,4-p-Menthadiene|4-Isopropyl-1-methyl-1,4-cyclohexadiene|Crithmene|CYCLOHEXA-1,4-DIENE, 1-METHYL-4-(1-METHYLETHYL)-|EINECS 202-794-6|FEMA No. 3559|gamma Terpinene|gamma-Terpinen|Moslene|NSC 21448|p-menta-1,4-dieno|p-Mentha-1,4-dien|p-Mentha-1,4-diene|Terpinene|TERPINENE, ALPHA|TERPINENE, g|UNII-4YGF4PQP49|g-Terpinen|g-Terpinene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041210
ERPathway2016 ERPathway2016_1801 gamma-Terpinene 99-85-4 DTXSID6041210 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CCC(C)=CC1 gamma-Terpinene 99-85-4|gamma-Terpinene|1-Isopropyl-4-methyl-1,4-cyclohexadiene|1-isopropyl-4-methyl-cyclohexa-1,4-diene|1-Isopropyl-4-methylcyclohexa-1,4-diene|1-Methyl-4-(1-methylethyl)-1,4-cyclohexadiene|1-Methyl-4-(propan-2-yl)cyclohexa-1,4-diene|1-Methyl-4-isopropyl-1,4-cyclohexadiene|1-Methyl-4-isopropylcyclohexadiene-1,4|1-methyl-4-propan-2-yl-cyclohexa-1,4-diene|1-methyl-4-propan-2-ylcyclohexa-1,4-diene|1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|1,4-Cyclohexadiene, 1-methyl-4-isopropyl-|1,4-p-Menthadiene|4-Isopropyl-1-methyl-1,4-cyclohexadiene|Crithmene|CYCLOHEXA-1,4-DIENE, 1-METHYL-4-(1-METHYLETHYL)-|EINECS 202-794-6|FEMA No. 3559|gamma Terpinene|gamma-Terpinen|Moslene|NSC 21448|p-menta-1,4-dieno|p-Mentha-1,4-dien|p-Mentha-1,4-diene|Terpinene|TERPINENE, ALPHA|TERPINENE, g|UNII-4YGF4PQP49|g-Terpinen|g-Terpinene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041210
ERPathway2016 ERPathway2016_1801 gamma-Terpinene 99-85-4 DTXSID6041210 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CCC(C)=CC1 gamma-Terpinene 99-85-4|gamma-Terpinene|1-Isopropyl-4-methyl-1,4-cyclohexadiene|1-isopropyl-4-methyl-cyclohexa-1,4-diene|1-Isopropyl-4-methylcyclohexa-1,4-diene|1-Methyl-4-(1-methylethyl)-1,4-cyclohexadiene|1-Methyl-4-(propan-2-yl)cyclohexa-1,4-diene|1-Methyl-4-isopropyl-1,4-cyclohexadiene|1-Methyl-4-isopropylcyclohexadiene-1,4|1-methyl-4-propan-2-yl-cyclohexa-1,4-diene|1-methyl-4-propan-2-ylcyclohexa-1,4-diene|1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|1,4-Cyclohexadiene, 1-methyl-4-isopropyl-|1,4-p-Menthadiene|4-Isopropyl-1-methyl-1,4-cyclohexadiene|Crithmene|CYCLOHEXA-1,4-DIENE, 1-METHYL-4-(1-METHYLETHYL)-|EINECS 202-794-6|FEMA No. 3559|gamma Terpinene|gamma-Terpinen|Moslene|NSC 21448|p-menta-1,4-dieno|p-Mentha-1,4-dien|p-Mentha-1,4-diene|Terpinene|TERPINENE, ALPHA|TERPINENE, g|UNII-4YGF4PQP49|g-Terpinen|g-Terpinene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041210
ERPathway2016 ERPathway2016_1801 gamma-Terpinene 99-85-4 DTXSID6041210 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CCC(C)=CC1 gamma-Terpinene 99-85-4|gamma-Terpinene|1-Isopropyl-4-methyl-1,4-cyclohexadiene|1-isopropyl-4-methyl-cyclohexa-1,4-diene|1-Isopropyl-4-methylcyclohexa-1,4-diene|1-Methyl-4-(1-methylethyl)-1,4-cyclohexadiene|1-Methyl-4-(propan-2-yl)cyclohexa-1,4-diene|1-Methyl-4-isopropyl-1,4-cyclohexadiene|1-Methyl-4-isopropylcyclohexadiene-1,4|1-methyl-4-propan-2-yl-cyclohexa-1,4-diene|1-methyl-4-propan-2-ylcyclohexa-1,4-diene|1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-|1,4-Cyclohexadiene, 1-methyl-4-isopropyl-|1,4-p-Menthadiene|4-Isopropyl-1-methyl-1,4-cyclohexadiene|Crithmene|CYCLOHEXA-1,4-DIENE, 1-METHYL-4-(1-METHYLETHYL)-|EINECS 202-794-6|FEMA No. 3559|gamma Terpinene|gamma-Terpinen|Moslene|NSC 21448|p-menta-1,4-dieno|p-Mentha-1,4-dien|p-Mentha-1,4-diene|Terpinene|TERPINENE, ALPHA|TERPINENE, g|UNII-4YGF4PQP49|g-Terpinen|g-Terpinene https://comptox.epa.gov/dashboard/chemical/details/DTXSID6041210
ARPathway2016 ARPathway2016_1061 Gemfibrozil 25812-30-0 DTXSID0020652 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1 Gemfibrozil 25812-30-0|Gemfibrozil|2,2-Dimethyl-5-(2,5-dimethylphenoxy)pentanoic acid|2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure|2,2-Dimethyl-5-(2,5-xylyloxy)valeriansaeure|2,2-Dimethyl-5-(2,5-xylyloxy)valeric acid|5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid|5-[(2,5-Dimethylphenyl)oxy]-2,2-dimethylpentanoic acid|Apo-Gemfibrozil|Bolutol|BRN 1881200|Cholespid|CI 719|Clearol|Decrelip|EINECS 247-280-2|Elmogan|Fetinor|Fibratol|Fibrocit|Gemfibril|Gemfibromax|gemfibrozil|gemfibrozilo|Gemfibrozilum|Gemlipid|Gemnpid|Genlip|Gevilon|Gevilon Uno|Hipolixan|Innogen|Ipolipid|Lanaterom|Lifibron|Lipazil|Lipigem|Lipizyl|Lipur|Litarek|Lopid|Lopizid|Low-Lip|Micolip|Normolip|Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-|Polyxit|Progemzal|Reducel|Regulip|Renabrazin|Sinelip|Synbrozil|Taborcil|Tentroc|Trialmin|Trialmin 900|UNII-Q8X02027X3|Valeric acid, 2,2-dimethyl-5-(2,5-xylyloxy)-|WL-Gemfibrozil https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020652 https://doi.org/10.22427/NTP-DATA-DTXSID0020652
ARPathway2016 ARPathway2016_1061 Gemfibrozil 25812-30-0 DTXSID0020652 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1 Gemfibrozil 25812-30-0|Gemfibrozil|2,2-Dimethyl-5-(2,5-dimethylphenoxy)pentanoic acid|2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure|2,2-Dimethyl-5-(2,5-xylyloxy)valeriansaeure|2,2-Dimethyl-5-(2,5-xylyloxy)valeric acid|5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid|5-[(2,5-Dimethylphenyl)oxy]-2,2-dimethylpentanoic acid|Apo-Gemfibrozil|Bolutol|BRN 1881200|Cholespid|CI 719|Clearol|Decrelip|EINECS 247-280-2|Elmogan|Fetinor|Fibratol|Fibrocit|Gemfibril|Gemfibromax|gemfibrozil|gemfibrozilo|Gemfibrozilum|Gemlipid|Gemnpid|Genlip|Gevilon|Gevilon Uno|Hipolixan|Innogen|Ipolipid|Lanaterom|Lifibron|Lipazil|Lipigem|Lipizyl|Lipur|Litarek|Lopid|Lopizid|Low-Lip|Micolip|Normolip|Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-|Polyxit|Progemzal|Reducel|Regulip|Renabrazin|Sinelip|Synbrozil|Taborcil|Tentroc|Trialmin|Trialmin 900|UNII-Q8X02027X3|Valeric acid, 2,2-dimethyl-5-(2,5-xylyloxy)-|WL-Gemfibrozil https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020652 https://doi.org/10.22427/NTP-DATA-DTXSID0020652
ARPathway2016 ARPathway2016_1061 Gemfibrozil 25812-30-0 DTXSID0020652 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1 Gemfibrozil 25812-30-0|Gemfibrozil|2,2-Dimethyl-5-(2,5-dimethylphenoxy)pentanoic acid|2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure|2,2-Dimethyl-5-(2,5-xylyloxy)valeriansaeure|2,2-Dimethyl-5-(2,5-xylyloxy)valeric acid|5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid|5-[(2,5-Dimethylphenyl)oxy]-2,2-dimethylpentanoic acid|Apo-Gemfibrozil|Bolutol|BRN 1881200|Cholespid|CI 719|Clearol|Decrelip|EINECS 247-280-2|Elmogan|Fetinor|Fibratol|Fibrocit|Gemfibril|Gemfibromax|gemfibrozil|gemfibrozilo|Gemfibrozilum|Gemlipid|Gemnpid|Genlip|Gevilon|Gevilon Uno|Hipolixan|Innogen|Ipolipid|Lanaterom|Lifibron|Lipazil|Lipigem|Lipizyl|Lipur|Litarek|Lopid|Lopizid|Low-Lip|Micolip|Normolip|Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-|Polyxit|Progemzal|Reducel|Regulip|Renabrazin|Sinelip|Synbrozil|Taborcil|Tentroc|Trialmin|Trialmin 900|UNII-Q8X02027X3|Valeric acid, 2,2-dimethyl-5-(2,5-xylyloxy)-|WL-Gemfibrozil https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020652 https://doi.org/10.22427/NTP-DATA-DTXSID0020652
ARPathway2016 ARPathway2016_1061 Gemfibrozil 25812-30-0 DTXSID0020652 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1 Gemfibrozil 25812-30-0|Gemfibrozil|2,2-Dimethyl-5-(2,5-dimethylphenoxy)pentanoic acid|2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure|2,2-Dimethyl-5-(2,5-xylyloxy)valeriansaeure|2,2-Dimethyl-5-(2,5-xylyloxy)valeric acid|5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid|5-[(2,5-Dimethylphenyl)oxy]-2,2-dimethylpentanoic acid|Apo-Gemfibrozil|Bolutol|BRN 1881200|Cholespid|CI 719|Clearol|Decrelip|EINECS 247-280-2|Elmogan|Fetinor|Fibratol|Fibrocit|Gemfibril|Gemfibromax|gemfibrozil|gemfibrozilo|Gemfibrozilum|Gemlipid|Gemnpid|Genlip|Gevilon|Gevilon Uno|Hipolixan|Innogen|Ipolipid|Lanaterom|Lifibron|Lipazil|Lipigem|Lipizyl|Lipur|Litarek|Lopid|Lopizid|Low-Lip|Micolip|Normolip|Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-|Polyxit|Progemzal|Reducel|Regulip|Renabrazin|Sinelip|Synbrozil|Taborcil|Tentroc|Trialmin|Trialmin 900|UNII-Q8X02027X3|Valeric acid, 2,2-dimethyl-5-(2,5-xylyloxy)-|WL-Gemfibrozil https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020652 https://doi.org/10.22427/NTP-DATA-DTXSID0020652
ERPathway2016 ERPathway2016_860 Gemfibrozil 25812-30-0 DTXSID0020652 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1 Gemfibrozil 25812-30-0|Gemfibrozil|2,2-Dimethyl-5-(2,5-dimethylphenoxy)pentanoic acid|2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure|2,2-Dimethyl-5-(2,5-xylyloxy)valeriansaeure|2,2-Dimethyl-5-(2,5-xylyloxy)valeric acid|5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid|5-[(2,5-Dimethylphenyl)oxy]-2,2-dimethylpentanoic acid|Apo-Gemfibrozil|Bolutol|BRN 1881200|Cholespid|CI 719|Clearol|Decrelip|EINECS 247-280-2|Elmogan|Fetinor|Fibratol|Fibrocit|Gemfibril|Gemfibromax|gemfibrozil|gemfibrozilo|Gemfibrozilum|Gemlipid|Gemnpid|Genlip|Gevilon|Gevilon Uno|Hipolixan|Innogen|Ipolipid|Lanaterom|Lifibron|Lipazil|Lipigem|Lipizyl|Lipur|Litarek|Lopid|Lopizid|Low-Lip|Micolip|Normolip|Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-|Polyxit|Progemzal|Reducel|Regulip|Renabrazin|Sinelip|Synbrozil|Taborcil|Tentroc|Trialmin|Trialmin 900|UNII-Q8X02027X3|Valeric acid, 2,2-dimethyl-5-(2,5-xylyloxy)-|WL-Gemfibrozil https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020652 https://doi.org/10.22427/NTP-DATA-DTXSID0020652
ERPathway2016 ERPathway2016_860 Gemfibrozil 25812-30-0 DTXSID0020652 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1 Gemfibrozil 25812-30-0|Gemfibrozil|2,2-Dimethyl-5-(2,5-dimethylphenoxy)pentanoic acid|2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure|2,2-Dimethyl-5-(2,5-xylyloxy)valeriansaeure|2,2-Dimethyl-5-(2,5-xylyloxy)valeric acid|5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid|5-[(2,5-Dimethylphenyl)oxy]-2,2-dimethylpentanoic acid|Apo-Gemfibrozil|Bolutol|BRN 1881200|Cholespid|CI 719|Clearol|Decrelip|EINECS 247-280-2|Elmogan|Fetinor|Fibratol|Fibrocit|Gemfibril|Gemfibromax|gemfibrozil|gemfibrozilo|Gemfibrozilum|Gemlipid|Gemnpid|Genlip|Gevilon|Gevilon Uno|Hipolixan|Innogen|Ipolipid|Lanaterom|Lifibron|Lipazil|Lipigem|Lipizyl|Lipur|Litarek|Lopid|Lopizid|Low-Lip|Micolip|Normolip|Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-|Polyxit|Progemzal|Reducel|Regulip|Renabrazin|Sinelip|Synbrozil|Taborcil|Tentroc|Trialmin|Trialmin 900|UNII-Q8X02027X3|Valeric acid, 2,2-dimethyl-5-(2,5-xylyloxy)-|WL-Gemfibrozil https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020652 https://doi.org/10.22427/NTP-DATA-DTXSID0020652
ERPathway2016 ERPathway2016_860 Gemfibrozil 25812-30-0 DTXSID0020652 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1 Gemfibrozil 25812-30-0|Gemfibrozil|2,2-Dimethyl-5-(2,5-dimethylphenoxy)pentanoic acid|2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure|2,2-Dimethyl-5-(2,5-xylyloxy)valeriansaeure|2,2-Dimethyl-5-(2,5-xylyloxy)valeric acid|5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid|5-[(2,5-Dimethylphenyl)oxy]-2,2-dimethylpentanoic acid|Apo-Gemfibrozil|Bolutol|BRN 1881200|Cholespid|CI 719|Clearol|Decrelip|EINECS 247-280-2|Elmogan|Fetinor|Fibratol|Fibrocit|Gemfibril|Gemfibromax|gemfibrozil|gemfibrozilo|Gemfibrozilum|Gemlipid|Gemnpid|Genlip|Gevilon|Gevilon Uno|Hipolixan|Innogen|Ipolipid|Lanaterom|Lifibron|Lipazil|Lipigem|Lipizyl|Lipur|Litarek|Lopid|Lopizid|Low-Lip|Micolip|Normolip|Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-|Polyxit|Progemzal|Reducel|Regulip|Renabrazin|Sinelip|Synbrozil|Taborcil|Tentroc|Trialmin|Trialmin 900|UNII-Q8X02027X3|Valeric acid, 2,2-dimethyl-5-(2,5-xylyloxy)-|WL-Gemfibrozil https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020652 https://doi.org/10.22427/NTP-DATA-DTXSID0020652
ERPathway2016 ERPathway2016_860 Gemfibrozil 25812-30-0 DTXSID0020652 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1 Gemfibrozil 25812-30-0|Gemfibrozil|2,2-Dimethyl-5-(2,5-dimethylphenoxy)pentanoic acid|2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure|2,2-Dimethyl-5-(2,5-xylyloxy)valeriansaeure|2,2-Dimethyl-5-(2,5-xylyloxy)valeric acid|5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid|5-[(2,5-Dimethylphenyl)oxy]-2,2-dimethylpentanoic acid|Apo-Gemfibrozil|Bolutol|BRN 1881200|Cholespid|CI 719|Clearol|Decrelip|EINECS 247-280-2|Elmogan|Fetinor|Fibratol|Fibrocit|Gemfibril|Gemfibromax|gemfibrozil|gemfibrozilo|Gemfibrozilum|Gemlipid|Gemnpid|Genlip|Gevilon|Gevilon Uno|Hipolixan|Innogen|Ipolipid|Lanaterom|Lifibron|Lipazil|Lipigem|Lipizyl|Lipur|Litarek|Lopid|Lopizid|Low-Lip|Micolip|Normolip|Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-|Polyxit|Progemzal|Reducel|Regulip|Renabrazin|Sinelip|Synbrozil|Taborcil|Tentroc|Trialmin|Trialmin 900|UNII-Q8X02027X3|Valeric acid, 2,2-dimethyl-5-(2,5-xylyloxy)-|WL-Gemfibrozil https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020652 https://doi.org/10.22427/NTP-DATA-DTXSID0020652
ARPathway2016 ARPathway2016_1213 Genistein 446-72-0 DTXSID5022308 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Genistein 446-72-0|Genistein|4,5,7-Trihydroxy Iso-Flavone|4',5, 7-Trihydroxyisoflavone|4',5,7-Trihydroxy-Isoflavone|4',5,7-Trihydroxyisoflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-|5-18-04-00594|5,7-dihidroxi-3-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyron|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7,4'-Trihydroxyisoflavone|Baichanin A|Bonistein|BRN 0263823|C.I. 75610|Climagen F|Differenol A|EINECS 207-174-9|FW 635I-2|genistein|Genistein 85% HPLC|Genisteol|Genisterin|Genistin aglycone|GeniVida|Isoflavone, 4',5,7-trihydroxy-|NSC 36586|Prunetol|SIPI 807-1|Sophoricol|UNII-DH2M523P0H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022308 https://doi.org/10.22427/NTP-DATA-DTXSID5022308
ARPathway2016 ARPathway2016_1213 Genistein 446-72-0 DTXSID5022308 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Genistein 446-72-0|Genistein|4,5,7-Trihydroxy Iso-Flavone|4',5, 7-Trihydroxyisoflavone|4',5,7-Trihydroxy-Isoflavone|4',5,7-Trihydroxyisoflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-|5-18-04-00594|5,7-dihidroxi-3-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyron|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7,4'-Trihydroxyisoflavone|Baichanin A|Bonistein|BRN 0263823|C.I. 75610|Climagen F|Differenol A|EINECS 207-174-9|FW 635I-2|genistein|Genistein 85% HPLC|Genisteol|Genisterin|Genistin aglycone|GeniVida|Isoflavone, 4',5,7-trihydroxy-|NSC 36586|Prunetol|SIPI 807-1|Sophoricol|UNII-DH2M523P0H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022308 https://doi.org/10.22427/NTP-DATA-DTXSID5022308
ARPathway2016 ARPathway2016_1213 Genistein 446-72-0 DTXSID5022308 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Genistein 446-72-0|Genistein|4,5,7-Trihydroxy Iso-Flavone|4',5, 7-Trihydroxyisoflavone|4',5,7-Trihydroxy-Isoflavone|4',5,7-Trihydroxyisoflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-|5-18-04-00594|5,7-dihidroxi-3-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyron|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7,4'-Trihydroxyisoflavone|Baichanin A|Bonistein|BRN 0263823|C.I. 75610|Climagen F|Differenol A|EINECS 207-174-9|FW 635I-2|genistein|Genistein 85% HPLC|Genisteol|Genisterin|Genistin aglycone|GeniVida|Isoflavone, 4',5,7-trihydroxy-|NSC 36586|Prunetol|SIPI 807-1|Sophoricol|UNII-DH2M523P0H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022308 https://doi.org/10.22427/NTP-DATA-DTXSID5022308
ARPathway2016 ARPathway2016_1213 Genistein 446-72-0 DTXSID5022308 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Genistein 446-72-0|Genistein|4,5,7-Trihydroxy Iso-Flavone|4',5, 7-Trihydroxyisoflavone|4',5,7-Trihydroxy-Isoflavone|4',5,7-Trihydroxyisoflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-|5-18-04-00594|5,7-dihidroxi-3-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyron|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7,4'-Trihydroxyisoflavone|Baichanin A|Bonistein|BRN 0263823|C.I. 75610|Climagen F|Differenol A|EINECS 207-174-9|FW 635I-2|genistein|Genistein 85% HPLC|Genisteol|Genisterin|Genistin aglycone|GeniVida|Isoflavone, 4',5,7-trihydroxy-|NSC 36586|Prunetol|SIPI 807-1|Sophoricol|UNII-DH2M523P0H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022308 https://doi.org/10.22427/NTP-DATA-DTXSID5022308
ERPathway2016 ERPathway2016_156 Genistein 446-72-0 DTXSID5022308 Agonist ER Pathway Model, Antagonist AC50 0.33676788105873 uM OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Genistein 446-72-0|Genistein|4,5,7-Trihydroxy Iso-Flavone|4',5, 7-Trihydroxyisoflavone|4',5,7-Trihydroxy-Isoflavone|4',5,7-Trihydroxyisoflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-|5-18-04-00594|5,7-dihidroxi-3-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyron|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7,4'-Trihydroxyisoflavone|Baichanin A|Bonistein|BRN 0263823|C.I. 75610|Climagen F|Differenol A|EINECS 207-174-9|FW 635I-2|genistein|Genistein 85% HPLC|Genisteol|Genisterin|Genistin aglycone|GeniVida|Isoflavone, 4',5,7-trihydroxy-|NSC 36586|Prunetol|SIPI 807-1|Sophoricol|UNII-DH2M523P0H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022308 https://doi.org/10.22427/NTP-DATA-DTXSID5022308
ERPathway2016 ERPathway2016_156 Genistein 446-72-0 DTXSID5022308 Agonist ER Pathway Model, Antagonist ACC 0.0615586769783145 uM OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Genistein 446-72-0|Genistein|4,5,7-Trihydroxy Iso-Flavone|4',5, 7-Trihydroxyisoflavone|4',5,7-Trihydroxy-Isoflavone|4',5,7-Trihydroxyisoflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-|5-18-04-00594|5,7-dihidroxi-3-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyron|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7,4'-Trihydroxyisoflavone|Baichanin A|Bonistein|BRN 0263823|C.I. 75610|Climagen F|Differenol A|EINECS 207-174-9|FW 635I-2|genistein|Genistein 85% HPLC|Genisteol|Genisterin|Genistin aglycone|GeniVida|Isoflavone, 4',5,7-trihydroxy-|NSC 36586|Prunetol|SIPI 807-1|Sophoricol|UNII-DH2M523P0H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022308 https://doi.org/10.22427/NTP-DATA-DTXSID5022308
ERPathway2016 ERPathway2016_156 Genistein 446-72-0 DTXSID5022308 Agonist ER Pathway Model, Agonist Model Score 0.538 Unitless OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Genistein 446-72-0|Genistein|4,5,7-Trihydroxy Iso-Flavone|4',5, 7-Trihydroxyisoflavone|4',5,7-Trihydroxy-Isoflavone|4',5,7-Trihydroxyisoflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-|5-18-04-00594|5,7-dihidroxi-3-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyron|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7,4'-Trihydroxyisoflavone|Baichanin A|Bonistein|BRN 0263823|C.I. 75610|Climagen F|Differenol A|EINECS 207-174-9|FW 635I-2|genistein|Genistein 85% HPLC|Genisteol|Genisterin|Genistin aglycone|GeniVida|Isoflavone, 4',5,7-trihydroxy-|NSC 36586|Prunetol|SIPI 807-1|Sophoricol|UNII-DH2M523P0H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022308 https://doi.org/10.22427/NTP-DATA-DTXSID5022308
ERPathway2016 ERPathway2016_156 Genistein 446-72-0 DTXSID5022308 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Genistein 446-72-0|Genistein|4,5,7-Trihydroxy Iso-Flavone|4',5, 7-Trihydroxyisoflavone|4',5,7-Trihydroxy-Isoflavone|4',5,7-Trihydroxyisoflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-|5-18-04-00594|5,7-dihidroxi-3-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyron|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7,4'-Trihydroxyisoflavone|Baichanin A|Bonistein|BRN 0263823|C.I. 75610|Climagen F|Differenol A|EINECS 207-174-9|FW 635I-2|genistein|Genistein 85% HPLC|Genisteol|Genisterin|Genistin aglycone|GeniVida|Isoflavone, 4',5,7-trihydroxy-|NSC 36586|Prunetol|SIPI 807-1|Sophoricol|UNII-DH2M523P0H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022308 https://doi.org/10.22427/NTP-DATA-DTXSID5022308
ERPathway2016 ERPathway2016_156 Genistein 446-72-0 DTXSID5022308 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Genistein 446-72-0|Genistein|4,5,7-Trihydroxy Iso-Flavone|4',5, 7-Trihydroxyisoflavone|4',5,7-Trihydroxy-Isoflavone|4',5,7-Trihydroxyisoflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-|5-18-04-00594|5,7-dihidroxi-3-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyron|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7,4'-Trihydroxyisoflavone|Baichanin A|Bonistein|BRN 0263823|C.I. 75610|Climagen F|Differenol A|EINECS 207-174-9|FW 635I-2|genistein|Genistein 85% HPLC|Genisteol|Genisterin|Genistin aglycone|GeniVida|Isoflavone, 4',5,7-trihydroxy-|NSC 36586|Prunetol|SIPI 807-1|Sophoricol|UNII-DH2M523P0H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022308 https://doi.org/10.22427/NTP-DATA-DTXSID5022308
ERPathway2016 ERPathway2016_156 Genistein 446-72-0 DTXSID5022308 Agonist ER Pathway Model, Antagonist Call Active Unitless OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O Genistein 446-72-0|Genistein|4,5,7-Trihydroxy Iso-Flavone|4',5, 7-Trihydroxyisoflavone|4',5,7-Trihydroxy-Isoflavone|4',5,7-Trihydroxyisoflavone|4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-|5-18-04-00594|5,7-dihidroxi-3-(4-hidroxifenil)-4-benzopirona|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyron|5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7,4'-Trihydroxyisoflavone|Baichanin A|Bonistein|BRN 0263823|C.I. 75610|Climagen F|Differenol A|EINECS 207-174-9|FW 635I-2|genistein|Genistein 85% HPLC|Genisteol|Genisterin|Genistin aglycone|GeniVida|Isoflavone, 4',5,7-trihydroxy-|NSC 36586|Prunetol|SIPI 807-1|Sophoricol|UNII-DH2M523P0H https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022308 https://doi.org/10.22427/NTP-DATA-DTXSID5022308
ARPathway2016 ARPathway2016_207 Gentian Violet 548-62-9 DTXSID5020653 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 2.02490453729919 uM [Cl-].CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C Gentian Violet 548-62-9|Gentian Violet|(4-{bis[-(dimethylamino)phenyl]methylene}-2,5-cyclohexadien-1-ylidene)dimethylammonium chloride|[4-[4,4'-Bis(dimethylamino)benzhydryliden]cyclohexa-2,5-dien-1-yliden]dimethylammoniumchlorid|[4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride|12416 Violet|Adergon|Aizen Crystal Violet|Aizen Crystal Violet Extra Pure|Aniline violet|Aniline violet pyoktanine|Atmonil|Avermin|Basic Violet 3|Basic Violet BN|Basonyl Violet 610|Bismuth Violet|Blaues pyoktanin|C.I. 42555|C.I. basic violet 003|C.I. Basic Violet 3|Calcozine Violet 6BN|Calcozine Violet C|Caswell No. 264A|Chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium|chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-diene-1-ylidene]dimethylammonium|Chlorure de methylrosanilinum|CI 42555|CI Basic Violet 3|cloruro de [4-[4,4'-bis(dimetilamino)bencidriliden]ciclohexa-2,5-dien-1-iliden]dimetilamonio|Cloruro de metilrosanilina|Crystal violet|Crystal Violet 10B|23355-47-7|7077-31-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020653 https://doi.org/10.22427/NTP-DATA-DTXSID5020653
ARPathway2016 ARPathway2016_207 Gentian Violet 548-62-9 DTXSID5020653 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 1.90842079571717 uM [Cl-].CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C Gentian Violet 548-62-9|Gentian Violet|(4-{bis[-(dimethylamino)phenyl]methylene}-2,5-cyclohexadien-1-ylidene)dimethylammonium chloride|[4-[4,4'-Bis(dimethylamino)benzhydryliden]cyclohexa-2,5-dien-1-yliden]dimethylammoniumchlorid|[4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride|12416 Violet|Adergon|Aizen Crystal Violet|Aizen Crystal Violet Extra Pure|Aniline violet|Aniline violet pyoktanine|Atmonil|Avermin|Basic Violet 3|Basic Violet BN|Basonyl Violet 610|Bismuth Violet|Blaues pyoktanin|C.I. 42555|C.I. basic violet 003|C.I. Basic Violet 3|Calcozine Violet 6BN|Calcozine Violet C|Caswell No. 264A|Chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium|chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-diene-1-ylidene]dimethylammonium|Chlorure de methylrosanilinum|CI 42555|CI Basic Violet 3|cloruro de [4-[4,4'-bis(dimetilamino)bencidriliden]ciclohexa-2,5-dien-1-iliden]dimetilamonio|Cloruro de metilrosanilina|Crystal violet|Crystal Violet 10B|23355-47-7|7077-31-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020653 https://doi.org/10.22427/NTP-DATA-DTXSID5020653
ARPathway2016 ARPathway2016_207 Gentian Violet 548-62-9 DTXSID5020653 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.663 Unitless [Cl-].CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C Gentian Violet 548-62-9|Gentian Violet|(4-{bis[-(dimethylamino)phenyl]methylene}-2,5-cyclohexadien-1-ylidene)dimethylammonium chloride|[4-[4,4'-Bis(dimethylamino)benzhydryliden]cyclohexa-2,5-dien-1-yliden]dimethylammoniumchlorid|[4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride|12416 Violet|Adergon|Aizen Crystal Violet|Aizen Crystal Violet Extra Pure|Aniline violet|Aniline violet pyoktanine|Atmonil|Avermin|Basic Violet 3|Basic Violet BN|Basonyl Violet 610|Bismuth Violet|Blaues pyoktanin|C.I. 42555|C.I. basic violet 003|C.I. Basic Violet 3|Calcozine Violet 6BN|Calcozine Violet C|Caswell No. 264A|Chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium|chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-diene-1-ylidene]dimethylammonium|Chlorure de methylrosanilinum|CI 42555|CI Basic Violet 3|cloruro de [4-[4,4'-bis(dimetilamino)bencidriliden]ciclohexa-2,5-dien-1-iliden]dimetilamonio|Cloruro de metilrosanilina|Crystal violet|Crystal Violet 10B|23355-47-7|7077-31-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020653 https://doi.org/10.22427/NTP-DATA-DTXSID5020653
ARPathway2016 ARPathway2016_207 Gentian Violet 548-62-9 DTXSID5020653 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [Cl-].CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C Gentian Violet 548-62-9|Gentian Violet|(4-{bis[-(dimethylamino)phenyl]methylene}-2,5-cyclohexadien-1-ylidene)dimethylammonium chloride|[4-[4,4'-Bis(dimethylamino)benzhydryliden]cyclohexa-2,5-dien-1-yliden]dimethylammoniumchlorid|[4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride|12416 Violet|Adergon|Aizen Crystal Violet|Aizen Crystal Violet Extra Pure|Aniline violet|Aniline violet pyoktanine|Atmonil|Avermin|Basic Violet 3|Basic Violet BN|Basonyl Violet 610|Bismuth Violet|Blaues pyoktanin|C.I. 42555|C.I. basic violet 003|C.I. Basic Violet 3|Calcozine Violet 6BN|Calcozine Violet C|Caswell No. 264A|Chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium|chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-diene-1-ylidene]dimethylammonium|Chlorure de methylrosanilinum|CI 42555|CI Basic Violet 3|cloruro de [4-[4,4'-bis(dimetilamino)bencidriliden]ciclohexa-2,5-dien-1-iliden]dimetilamonio|Cloruro de metilrosanilina|Crystal violet|Crystal Violet 10B|23355-47-7|7077-31-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020653 https://doi.org/10.22427/NTP-DATA-DTXSID5020653
ARPathway2016 ARPathway2016_207 Gentian Violet 548-62-9 DTXSID5020653 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Cl-].CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C Gentian Violet 548-62-9|Gentian Violet|(4-{bis[-(dimethylamino)phenyl]methylene}-2,5-cyclohexadien-1-ylidene)dimethylammonium chloride|[4-[4,4'-Bis(dimethylamino)benzhydryliden]cyclohexa-2,5-dien-1-yliden]dimethylammoniumchlorid|[4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride|12416 Violet|Adergon|Aizen Crystal Violet|Aizen Crystal Violet Extra Pure|Aniline violet|Aniline violet pyoktanine|Atmonil|Avermin|Basic Violet 3|Basic Violet BN|Basonyl Violet 610|Bismuth Violet|Blaues pyoktanin|C.I. 42555|C.I. basic violet 003|C.I. Basic Violet 3|Calcozine Violet 6BN|Calcozine Violet C|Caswell No. 264A|Chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium|chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-diene-1-ylidene]dimethylammonium|Chlorure de methylrosanilinum|CI 42555|CI Basic Violet 3|cloruro de [4-[4,4'-bis(dimetilamino)bencidriliden]ciclohexa-2,5-dien-1-iliden]dimetilamonio|Cloruro de metilrosanilina|Crystal violet|Crystal Violet 10B|23355-47-7|7077-31-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020653 https://doi.org/10.22427/NTP-DATA-DTXSID5020653
ARPathway2016 ARPathway2016_207 Gentian Violet 548-62-9 DTXSID5020653 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C Gentian Violet 548-62-9|Gentian Violet|(4-{bis[-(dimethylamino)phenyl]methylene}-2,5-cyclohexadien-1-ylidene)dimethylammonium chloride|[4-[4,4'-Bis(dimethylamino)benzhydryliden]cyclohexa-2,5-dien-1-yliden]dimethylammoniumchlorid|[4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride|12416 Violet|Adergon|Aizen Crystal Violet|Aizen Crystal Violet Extra Pure|Aniline violet|Aniline violet pyoktanine|Atmonil|Avermin|Basic Violet 3|Basic Violet BN|Basonyl Violet 610|Bismuth Violet|Blaues pyoktanin|C.I. 42555|C.I. basic violet 003|C.I. Basic Violet 3|Calcozine Violet 6BN|Calcozine Violet C|Caswell No. 264A|Chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium|chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-diene-1-ylidene]dimethylammonium|Chlorure de methylrosanilinum|CI 42555|CI Basic Violet 3|cloruro de [4-[4,4'-bis(dimetilamino)bencidriliden]ciclohexa-2,5-dien-1-iliden]dimetilamonio|Cloruro de metilrosanilina|Crystal violet|Crystal Violet 10B|23355-47-7|7077-31-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020653 https://doi.org/10.22427/NTP-DATA-DTXSID5020653
ERPathway2016 ERPathway2016_552 Gentian Violet 548-62-9 DTXSID5020653 R9 ER Pathway Model, Agonist Model Score 0 Unitless [Cl-].CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C Gentian Violet 548-62-9|Gentian Violet|(4-{bis[-(dimethylamino)phenyl]methylene}-2,5-cyclohexadien-1-ylidene)dimethylammonium chloride|[4-[4,4'-Bis(dimethylamino)benzhydryliden]cyclohexa-2,5-dien-1-yliden]dimethylammoniumchlorid|[4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride|12416 Violet|Adergon|Aizen Crystal Violet|Aizen Crystal Violet Extra Pure|Aniline violet|Aniline violet pyoktanine|Atmonil|Avermin|Basic Violet 3|Basic Violet BN|Basonyl Violet 610|Bismuth Violet|Blaues pyoktanin|C.I. 42555|C.I. basic violet 003|C.I. Basic Violet 3|Calcozine Violet 6BN|Calcozine Violet C|Caswell No. 264A|Chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium|chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-diene-1-ylidene]dimethylammonium|Chlorure de methylrosanilinum|CI 42555|CI Basic Violet 3|cloruro de [4-[4,4'-bis(dimetilamino)bencidriliden]ciclohexa-2,5-dien-1-iliden]dimetilamonio|Cloruro de metilrosanilina|Crystal violet|Crystal Violet 10B|23355-47-7|7077-31-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020653 https://doi.org/10.22427/NTP-DATA-DTXSID5020653
ERPathway2016 ERPathway2016_552 Gentian Violet 548-62-9 DTXSID5020653 R9 ER Pathway Model, Antagonist Model Score 0 Unitless [Cl-].CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C Gentian Violet 548-62-9|Gentian Violet|(4-{bis[-(dimethylamino)phenyl]methylene}-2,5-cyclohexadien-1-ylidene)dimethylammonium chloride|[4-[4,4'-Bis(dimethylamino)benzhydryliden]cyclohexa-2,5-dien-1-yliden]dimethylammoniumchlorid|[4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride|12416 Violet|Adergon|Aizen Crystal Violet|Aizen Crystal Violet Extra Pure|Aniline violet|Aniline violet pyoktanine|Atmonil|Avermin|Basic Violet 3|Basic Violet BN|Basonyl Violet 610|Bismuth Violet|Blaues pyoktanin|C.I. 42555|C.I. basic violet 003|C.I. Basic Violet 3|Calcozine Violet 6BN|Calcozine Violet C|Caswell No. 264A|Chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium|chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-diene-1-ylidene]dimethylammonium|Chlorure de methylrosanilinum|CI 42555|CI Basic Violet 3|cloruro de [4-[4,4'-bis(dimetilamino)bencidriliden]ciclohexa-2,5-dien-1-iliden]dimetilamonio|Cloruro de metilrosanilina|Crystal violet|Crystal Violet 10B|23355-47-7|7077-31-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020653 https://doi.org/10.22427/NTP-DATA-DTXSID5020653
ERPathway2016 ERPathway2016_552 Gentian Violet 548-62-9 DTXSID5020653 R9 ER Pathway Model, Agonist Call Inactive Unitless [Cl-].CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C Gentian Violet 548-62-9|Gentian Violet|(4-{bis[-(dimethylamino)phenyl]methylene}-2,5-cyclohexadien-1-ylidene)dimethylammonium chloride|[4-[4,4'-Bis(dimethylamino)benzhydryliden]cyclohexa-2,5-dien-1-yliden]dimethylammoniumchlorid|[4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride|12416 Violet|Adergon|Aizen Crystal Violet|Aizen Crystal Violet Extra Pure|Aniline violet|Aniline violet pyoktanine|Atmonil|Avermin|Basic Violet 3|Basic Violet BN|Basonyl Violet 610|Bismuth Violet|Blaues pyoktanin|C.I. 42555|C.I. basic violet 003|C.I. Basic Violet 3|Calcozine Violet 6BN|Calcozine Violet C|Caswell No. 264A|Chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium|chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-diene-1-ylidene]dimethylammonium|Chlorure de methylrosanilinum|CI 42555|CI Basic Violet 3|cloruro de [4-[4,4'-bis(dimetilamino)bencidriliden]ciclohexa-2,5-dien-1-iliden]dimetilamonio|Cloruro de metilrosanilina|Crystal violet|Crystal Violet 10B|23355-47-7|7077-31-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020653 https://doi.org/10.22427/NTP-DATA-DTXSID5020653
ERPathway2016 ERPathway2016_552 Gentian Violet 548-62-9 DTXSID5020653 R9 ER Pathway Model, Antagonist Call Inactive Unitless [Cl-].CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C Gentian Violet 548-62-9|Gentian Violet|(4-{bis[-(dimethylamino)phenyl]methylene}-2,5-cyclohexadien-1-ylidene)dimethylammonium chloride|[4-[4,4'-Bis(dimethylamino)benzhydryliden]cyclohexa-2,5-dien-1-yliden]dimethylammoniumchlorid|[4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride|12416 Violet|Adergon|Aizen Crystal Violet|Aizen Crystal Violet Extra Pure|Aniline violet|Aniline violet pyoktanine|Atmonil|Avermin|Basic Violet 3|Basic Violet BN|Basonyl Violet 610|Bismuth Violet|Blaues pyoktanin|C.I. 42555|C.I. basic violet 003|C.I. Basic Violet 3|Calcozine Violet 6BN|Calcozine Violet C|Caswell No. 264A|Chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium|chlorure de [4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-diene-1-ylidene]dimethylammonium|Chlorure de methylrosanilinum|CI 42555|CI Basic Violet 3|cloruro de [4-[4,4'-bis(dimetilamino)bencidriliden]ciclohexa-2,5-dien-1-iliden]dimetilamonio|Cloruro de metilrosanilina|Crystal violet|Crystal Violet 10B|23355-47-7|7077-31-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020653 https://doi.org/10.22427/NTP-DATA-DTXSID5020653
ARPathway2016 ARPathway2016_467 Geraniol 106-24-1 DTXSID8026727 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(C)=CCO Geraniol 106-24-1|Geraniol|(2E)-3,7-Dimethyl-2,6-octadien-1-ol|(2E)-3,7-dimethylocta-2,6-dien-1-ol|(E)-3,7-Dimethyl-2,6-octadien-1-ol|(E)-3,7-Dimethyl-2,6-octadienol|(E)-Geraniol|(E)-Nerol|2-trans-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadiene-1-ol|2,6-Octadien-1-ol, 3,7-dimethyl-,|2,6-Octadien-1-ol, 3,7-dimethyl-, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, (E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, trans-|2,6-Octadien-1-ol, 3,7-dimetil-, (2E) -|2E-Geraniol|3,7-Dimethyl-(2E)-2,6-Octadien-1-ol|3,7-Dimethyl-(E)-2,6-Octadien-1-ol|3,7-DIMETHYL-2,6-OCTADIEN-1-OL|3,7-Dimethyl-2,6-octadien-1-ol, (E)-|3,7-Dimethyl-trans-2,6-octadien-1-ol|4-01-00-02277|b-Geraniol|beta-Geraniol|BRN 1722456|EINECS 203-377-1|EPA Pesticide Chemical Code 597501|FEMA 2507|FEMA No. 2507|Geraniol|Geraniol 60|Geraniol 980|Geraniol alcohol|Geraniol BJ|Geraniol Extra|Geranyl alcohol|Lemonol|MosquitoSafe|NSC 9279|t-geraniol|trans-1-Hydroxy-3,7-dimethyl-2,6-octadiene|trans-2,6-Dimethyl-2,6-octadien-8-ol|trans-3,7-Dimethyl-2,6-octadien-1-ol|Trans-3,7-dimethyl-2,6|491611-08-6|8007-13-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026727
ARPathway2016 ARPathway2016_467 Geraniol 106-24-1 DTXSID8026727 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(C)=CCO Geraniol 106-24-1|Geraniol|(2E)-3,7-Dimethyl-2,6-octadien-1-ol|(2E)-3,7-dimethylocta-2,6-dien-1-ol|(E)-3,7-Dimethyl-2,6-octadien-1-ol|(E)-3,7-Dimethyl-2,6-octadienol|(E)-Geraniol|(E)-Nerol|2-trans-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadiene-1-ol|2,6-Octadien-1-ol, 3,7-dimethyl-,|2,6-Octadien-1-ol, 3,7-dimethyl-, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, (E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, trans-|2,6-Octadien-1-ol, 3,7-dimetil-, (2E) -|2E-Geraniol|3,7-Dimethyl-(2E)-2,6-Octadien-1-ol|3,7-Dimethyl-(E)-2,6-Octadien-1-ol|3,7-DIMETHYL-2,6-OCTADIEN-1-OL|3,7-Dimethyl-2,6-octadien-1-ol, (E)-|3,7-Dimethyl-trans-2,6-octadien-1-ol|4-01-00-02277|b-Geraniol|beta-Geraniol|BRN 1722456|EINECS 203-377-1|EPA Pesticide Chemical Code 597501|FEMA 2507|FEMA No. 2507|Geraniol|Geraniol 60|Geraniol 980|Geraniol alcohol|Geraniol BJ|Geraniol Extra|Geranyl alcohol|Lemonol|MosquitoSafe|NSC 9279|t-geraniol|trans-1-Hydroxy-3,7-dimethyl-2,6-octadiene|trans-2,6-Dimethyl-2,6-octadien-8-ol|trans-3,7-Dimethyl-2,6-octadien-1-ol|Trans-3,7-dimethyl-2,6|491611-08-6|8007-13-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026727
ARPathway2016 ARPathway2016_467 Geraniol 106-24-1 DTXSID8026727 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(C)=CCO Geraniol 106-24-1|Geraniol|(2E)-3,7-Dimethyl-2,6-octadien-1-ol|(2E)-3,7-dimethylocta-2,6-dien-1-ol|(E)-3,7-Dimethyl-2,6-octadien-1-ol|(E)-3,7-Dimethyl-2,6-octadienol|(E)-Geraniol|(E)-Nerol|2-trans-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadiene-1-ol|2,6-Octadien-1-ol, 3,7-dimethyl-,|2,6-Octadien-1-ol, 3,7-dimethyl-, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, (E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, trans-|2,6-Octadien-1-ol, 3,7-dimetil-, (2E) -|2E-Geraniol|3,7-Dimethyl-(2E)-2,6-Octadien-1-ol|3,7-Dimethyl-(E)-2,6-Octadien-1-ol|3,7-DIMETHYL-2,6-OCTADIEN-1-OL|3,7-Dimethyl-2,6-octadien-1-ol, (E)-|3,7-Dimethyl-trans-2,6-octadien-1-ol|4-01-00-02277|b-Geraniol|beta-Geraniol|BRN 1722456|EINECS 203-377-1|EPA Pesticide Chemical Code 597501|FEMA 2507|FEMA No. 2507|Geraniol|Geraniol 60|Geraniol 980|Geraniol alcohol|Geraniol BJ|Geraniol Extra|Geranyl alcohol|Lemonol|MosquitoSafe|NSC 9279|t-geraniol|trans-1-Hydroxy-3,7-dimethyl-2,6-octadiene|trans-2,6-Dimethyl-2,6-octadien-8-ol|trans-3,7-Dimethyl-2,6-octadien-1-ol|Trans-3,7-dimethyl-2,6|491611-08-6|8007-13-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026727
ARPathway2016 ARPathway2016_467 Geraniol 106-24-1 DTXSID8026727 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(C)=CCO Geraniol 106-24-1|Geraniol|(2E)-3,7-Dimethyl-2,6-octadien-1-ol|(2E)-3,7-dimethylocta-2,6-dien-1-ol|(E)-3,7-Dimethyl-2,6-octadien-1-ol|(E)-3,7-Dimethyl-2,6-octadienol|(E)-Geraniol|(E)-Nerol|2-trans-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadiene-1-ol|2,6-Octadien-1-ol, 3,7-dimethyl-,|2,6-Octadien-1-ol, 3,7-dimethyl-, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, (E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, trans-|2,6-Octadien-1-ol, 3,7-dimetil-, (2E) -|2E-Geraniol|3,7-Dimethyl-(2E)-2,6-Octadien-1-ol|3,7-Dimethyl-(E)-2,6-Octadien-1-ol|3,7-DIMETHYL-2,6-OCTADIEN-1-OL|3,7-Dimethyl-2,6-octadien-1-ol, (E)-|3,7-Dimethyl-trans-2,6-octadien-1-ol|4-01-00-02277|b-Geraniol|beta-Geraniol|BRN 1722456|EINECS 203-377-1|EPA Pesticide Chemical Code 597501|FEMA 2507|FEMA No. 2507|Geraniol|Geraniol 60|Geraniol 980|Geraniol alcohol|Geraniol BJ|Geraniol Extra|Geranyl alcohol|Lemonol|MosquitoSafe|NSC 9279|t-geraniol|trans-1-Hydroxy-3,7-dimethyl-2,6-octadiene|trans-2,6-Dimethyl-2,6-octadien-8-ol|trans-3,7-Dimethyl-2,6-octadien-1-ol|Trans-3,7-dimethyl-2,6|491611-08-6|8007-13-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026727
ERPathway2016 ERPathway2016_1030 Geraniol 106-24-1 DTXSID8026727 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(C)=CCO Geraniol 106-24-1|Geraniol|(2E)-3,7-Dimethyl-2,6-octadien-1-ol|(2E)-3,7-dimethylocta-2,6-dien-1-ol|(E)-3,7-Dimethyl-2,6-octadien-1-ol|(E)-3,7-Dimethyl-2,6-octadienol|(E)-Geraniol|(E)-Nerol|2-trans-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadiene-1-ol|2,6-Octadien-1-ol, 3,7-dimethyl-,|2,6-Octadien-1-ol, 3,7-dimethyl-, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, (E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, trans-|2,6-Octadien-1-ol, 3,7-dimetil-, (2E) -|2E-Geraniol|3,7-Dimethyl-(2E)-2,6-Octadien-1-ol|3,7-Dimethyl-(E)-2,6-Octadien-1-ol|3,7-DIMETHYL-2,6-OCTADIEN-1-OL|3,7-Dimethyl-2,6-octadien-1-ol, (E)-|3,7-Dimethyl-trans-2,6-octadien-1-ol|4-01-00-02277|b-Geraniol|beta-Geraniol|BRN 1722456|EINECS 203-377-1|EPA Pesticide Chemical Code 597501|FEMA 2507|FEMA No. 2507|Geraniol|Geraniol 60|Geraniol 980|Geraniol alcohol|Geraniol BJ|Geraniol Extra|Geranyl alcohol|Lemonol|MosquitoSafe|NSC 9279|t-geraniol|trans-1-Hydroxy-3,7-dimethyl-2,6-octadiene|trans-2,6-Dimethyl-2,6-octadien-8-ol|trans-3,7-Dimethyl-2,6-octadien-1-ol|Trans-3,7-dimethyl-2,6|491611-08-6|8007-13-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026727
ERPathway2016 ERPathway2016_1030 Geraniol 106-24-1 DTXSID8026727 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(C)=CCO Geraniol 106-24-1|Geraniol|(2E)-3,7-Dimethyl-2,6-octadien-1-ol|(2E)-3,7-dimethylocta-2,6-dien-1-ol|(E)-3,7-Dimethyl-2,6-octadien-1-ol|(E)-3,7-Dimethyl-2,6-octadienol|(E)-Geraniol|(E)-Nerol|2-trans-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadiene-1-ol|2,6-Octadien-1-ol, 3,7-dimethyl-,|2,6-Octadien-1-ol, 3,7-dimethyl-, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, (E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, trans-|2,6-Octadien-1-ol, 3,7-dimetil-, (2E) -|2E-Geraniol|3,7-Dimethyl-(2E)-2,6-Octadien-1-ol|3,7-Dimethyl-(E)-2,6-Octadien-1-ol|3,7-DIMETHYL-2,6-OCTADIEN-1-OL|3,7-Dimethyl-2,6-octadien-1-ol, (E)-|3,7-Dimethyl-trans-2,6-octadien-1-ol|4-01-00-02277|b-Geraniol|beta-Geraniol|BRN 1722456|EINECS 203-377-1|EPA Pesticide Chemical Code 597501|FEMA 2507|FEMA No. 2507|Geraniol|Geraniol 60|Geraniol 980|Geraniol alcohol|Geraniol BJ|Geraniol Extra|Geranyl alcohol|Lemonol|MosquitoSafe|NSC 9279|t-geraniol|trans-1-Hydroxy-3,7-dimethyl-2,6-octadiene|trans-2,6-Dimethyl-2,6-octadien-8-ol|trans-3,7-Dimethyl-2,6-octadien-1-ol|Trans-3,7-dimethyl-2,6|491611-08-6|8007-13-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026727
ERPathway2016 ERPathway2016_1030 Geraniol 106-24-1 DTXSID8026727 ER Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(C)=CCO Geraniol 106-24-1|Geraniol|(2E)-3,7-Dimethyl-2,6-octadien-1-ol|(2E)-3,7-dimethylocta-2,6-dien-1-ol|(E)-3,7-Dimethyl-2,6-octadien-1-ol|(E)-3,7-Dimethyl-2,6-octadienol|(E)-Geraniol|(E)-Nerol|2-trans-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadiene-1-ol|2,6-Octadien-1-ol, 3,7-dimethyl-,|2,6-Octadien-1-ol, 3,7-dimethyl-, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, (E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, trans-|2,6-Octadien-1-ol, 3,7-dimetil-, (2E) -|2E-Geraniol|3,7-Dimethyl-(2E)-2,6-Octadien-1-ol|3,7-Dimethyl-(E)-2,6-Octadien-1-ol|3,7-DIMETHYL-2,6-OCTADIEN-1-OL|3,7-Dimethyl-2,6-octadien-1-ol, (E)-|3,7-Dimethyl-trans-2,6-octadien-1-ol|4-01-00-02277|b-Geraniol|beta-Geraniol|BRN 1722456|EINECS 203-377-1|EPA Pesticide Chemical Code 597501|FEMA 2507|FEMA No. 2507|Geraniol|Geraniol 60|Geraniol 980|Geraniol alcohol|Geraniol BJ|Geraniol Extra|Geranyl alcohol|Lemonol|MosquitoSafe|NSC 9279|t-geraniol|trans-1-Hydroxy-3,7-dimethyl-2,6-octadiene|trans-2,6-Dimethyl-2,6-octadien-8-ol|trans-3,7-Dimethyl-2,6-octadien-1-ol|Trans-3,7-dimethyl-2,6|491611-08-6|8007-13-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026727
ERPathway2016 ERPathway2016_1030 Geraniol 106-24-1 DTXSID8026727 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(C)=CCO Geraniol 106-24-1|Geraniol|(2E)-3,7-Dimethyl-2,6-octadien-1-ol|(2E)-3,7-dimethylocta-2,6-dien-1-ol|(E)-3,7-Dimethyl-2,6-octadien-1-ol|(E)-3,7-Dimethyl-2,6-octadienol|(E)-Geraniol|(E)-Nerol|2-trans-3,7-Dimethyl-2,6-octadien-1-ol|2-trans-3,7-Dimethyl-2,6-octadiene-1-ol|2,6-Octadien-1-ol, 3,7-dimethyl-,|2,6-Octadien-1-ol, 3,7-dimethyl-, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, (E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, trans-|2,6-Octadien-1-ol, 3,7-dimetil-, (2E) -|2E-Geraniol|3,7-Dimethyl-(2E)-2,6-Octadien-1-ol|3,7-Dimethyl-(E)-2,6-Octadien-1-ol|3,7-DIMETHYL-2,6-OCTADIEN-1-OL|3,7-Dimethyl-2,6-octadien-1-ol, (E)-|3,7-Dimethyl-trans-2,6-octadien-1-ol|4-01-00-02277|b-Geraniol|beta-Geraniol|BRN 1722456|EINECS 203-377-1|EPA Pesticide Chemical Code 597501|FEMA 2507|FEMA No. 2507|Geraniol|Geraniol 60|Geraniol 980|Geraniol alcohol|Geraniol BJ|Geraniol Extra|Geranyl alcohol|Lemonol|MosquitoSafe|NSC 9279|t-geraniol|trans-1-Hydroxy-3,7-dimethyl-2,6-octadiene|trans-2,6-Dimethyl-2,6-octadien-8-ol|trans-3,7-Dimethyl-2,6-octadien-1-ol|Trans-3,7-dimethyl-2,6|491611-08-6|8007-13-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026727
ARPathway2016 ARPathway2016_462 Geranyl acetate 105-87-3 DTXSID0020654 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(C)=CCOC(C)=O Geranyl acetate 105-87-3|Geranyl acetate|(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate|(E)-3,7-Dimethyl-2,6-octadien-1-ol acetate|(E)-3,7-Dimethyl-2,6-octadienyl acetate|2,6-Dimethyl-2,6-octadiene-8-yl acetate|2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-|3,7-Dimethyl-2-trans, 6-octadienyl acetate|3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-|4-02-00-00204|Acetate de geranyle|ACETATE, GERANYL|acetato de geranilo|Acetic acid (2E)-3,7-dimethyl-2,6-octadienyl ester|Acetic acid geraniol ester|Acetic acid, geraniol ester|Bay pine (oyster) oil|BRN 1722815|EINECS 203-341-5|ESSIGSAEURE-GERANYLESTER|FEMA No. 2509|FEMA Number 2509|Geraniol acetate|Geranyl acetate A|Geranyl ethanoate|Geranylacetat|NCI-C54728|NSC 2584|trans-1-Acetoxy-3,7-dimethyl-2,6-octadiene|trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate|trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate|trans-3,7-Dim|130396-84-8|8022-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020654 https://doi.org/10.22427/NTP-DATA-DTXSID0020654
ARPathway2016 ARPathway2016_462 Geranyl acetate 105-87-3 DTXSID0020654 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(C)=CCOC(C)=O Geranyl acetate 105-87-3|Geranyl acetate|(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate|(E)-3,7-Dimethyl-2,6-octadien-1-ol acetate|(E)-3,7-Dimethyl-2,6-octadienyl acetate|2,6-Dimethyl-2,6-octadiene-8-yl acetate|2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-|3,7-Dimethyl-2-trans, 6-octadienyl acetate|3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-|4-02-00-00204|Acetate de geranyle|ACETATE, GERANYL|acetato de geranilo|Acetic acid (2E)-3,7-dimethyl-2,6-octadienyl ester|Acetic acid geraniol ester|Acetic acid, geraniol ester|Bay pine (oyster) oil|BRN 1722815|EINECS 203-341-5|ESSIGSAEURE-GERANYLESTER|FEMA No. 2509|FEMA Number 2509|Geraniol acetate|Geranyl acetate A|Geranyl ethanoate|Geranylacetat|NCI-C54728|NSC 2584|trans-1-Acetoxy-3,7-dimethyl-2,6-octadiene|trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate|trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate|trans-3,7-Dim|130396-84-8|8022-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020654 https://doi.org/10.22427/NTP-DATA-DTXSID0020654
ARPathway2016 ARPathway2016_462 Geranyl acetate 105-87-3 DTXSID0020654 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(C)=CCOC(C)=O Geranyl acetate 105-87-3|Geranyl acetate|(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate|(E)-3,7-Dimethyl-2,6-octadien-1-ol acetate|(E)-3,7-Dimethyl-2,6-octadienyl acetate|2,6-Dimethyl-2,6-octadiene-8-yl acetate|2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-|3,7-Dimethyl-2-trans, 6-octadienyl acetate|3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-|4-02-00-00204|Acetate de geranyle|ACETATE, GERANYL|acetato de geranilo|Acetic acid (2E)-3,7-dimethyl-2,6-octadienyl ester|Acetic acid geraniol ester|Acetic acid, geraniol ester|Bay pine (oyster) oil|BRN 1722815|EINECS 203-341-5|ESSIGSAEURE-GERANYLESTER|FEMA No. 2509|FEMA Number 2509|Geraniol acetate|Geranyl acetate A|Geranyl ethanoate|Geranylacetat|NCI-C54728|NSC 2584|trans-1-Acetoxy-3,7-dimethyl-2,6-octadiene|trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate|trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate|trans-3,7-Dim|130396-84-8|8022-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020654 https://doi.org/10.22427/NTP-DATA-DTXSID0020654
ARPathway2016 ARPathway2016_462 Geranyl acetate 105-87-3 DTXSID0020654 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(C)=CCOC(C)=O Geranyl acetate 105-87-3|Geranyl acetate|(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate|(E)-3,7-Dimethyl-2,6-octadien-1-ol acetate|(E)-3,7-Dimethyl-2,6-octadienyl acetate|2,6-Dimethyl-2,6-octadiene-8-yl acetate|2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-|3,7-Dimethyl-2-trans, 6-octadienyl acetate|3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-|4-02-00-00204|Acetate de geranyle|ACETATE, GERANYL|acetato de geranilo|Acetic acid (2E)-3,7-dimethyl-2,6-octadienyl ester|Acetic acid geraniol ester|Acetic acid, geraniol ester|Bay pine (oyster) oil|BRN 1722815|EINECS 203-341-5|ESSIGSAEURE-GERANYLESTER|FEMA No. 2509|FEMA Number 2509|Geraniol acetate|Geranyl acetate A|Geranyl ethanoate|Geranylacetat|NCI-C54728|NSC 2584|trans-1-Acetoxy-3,7-dimethyl-2,6-octadiene|trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate|trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate|trans-3,7-Dim|130396-84-8|8022-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020654 https://doi.org/10.22427/NTP-DATA-DTXSID0020654
ERPathway2016 ERPathway2016_1084 Geranyl acetate 105-87-3 DTXSID0020654 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(C)=CCOC(C)=O Geranyl acetate 105-87-3|Geranyl acetate|(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate|(E)-3,7-Dimethyl-2,6-octadien-1-ol acetate|(E)-3,7-Dimethyl-2,6-octadienyl acetate|2,6-Dimethyl-2,6-octadiene-8-yl acetate|2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-|3,7-Dimethyl-2-trans, 6-octadienyl acetate|3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-|4-02-00-00204|Acetate de geranyle|ACETATE, GERANYL|acetato de geranilo|Acetic acid (2E)-3,7-dimethyl-2,6-octadienyl ester|Acetic acid geraniol ester|Acetic acid, geraniol ester|Bay pine (oyster) oil|BRN 1722815|EINECS 203-341-5|ESSIGSAEURE-GERANYLESTER|FEMA No. 2509|FEMA Number 2509|Geraniol acetate|Geranyl acetate A|Geranyl ethanoate|Geranylacetat|NCI-C54728|NSC 2584|trans-1-Acetoxy-3,7-dimethyl-2,6-octadiene|trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate|trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate|trans-3,7-Dim|130396-84-8|8022-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020654 https://doi.org/10.22427/NTP-DATA-DTXSID0020654
ERPathway2016 ERPathway2016_1084 Geranyl acetate 105-87-3 DTXSID0020654 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(C)=CCOC(C)=O Geranyl acetate 105-87-3|Geranyl acetate|(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate|(E)-3,7-Dimethyl-2,6-octadien-1-ol acetate|(E)-3,7-Dimethyl-2,6-octadienyl acetate|2,6-Dimethyl-2,6-octadiene-8-yl acetate|2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-|3,7-Dimethyl-2-trans, 6-octadienyl acetate|3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-|4-02-00-00204|Acetate de geranyle|ACETATE, GERANYL|acetato de geranilo|Acetic acid (2E)-3,7-dimethyl-2,6-octadienyl ester|Acetic acid geraniol ester|Acetic acid, geraniol ester|Bay pine (oyster) oil|BRN 1722815|EINECS 203-341-5|ESSIGSAEURE-GERANYLESTER|FEMA No. 2509|FEMA Number 2509|Geraniol acetate|Geranyl acetate A|Geranyl ethanoate|Geranylacetat|NCI-C54728|NSC 2584|trans-1-Acetoxy-3,7-dimethyl-2,6-octadiene|trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate|trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate|trans-3,7-Dim|130396-84-8|8022-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020654 https://doi.org/10.22427/NTP-DATA-DTXSID0020654
ERPathway2016 ERPathway2016_1084 Geranyl acetate 105-87-3 DTXSID0020654 ER Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(C)=CCOC(C)=O Geranyl acetate 105-87-3|Geranyl acetate|(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate|(E)-3,7-Dimethyl-2,6-octadien-1-ol acetate|(E)-3,7-Dimethyl-2,6-octadienyl acetate|2,6-Dimethyl-2,6-octadiene-8-yl acetate|2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-|3,7-Dimethyl-2-trans, 6-octadienyl acetate|3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-|4-02-00-00204|Acetate de geranyle|ACETATE, GERANYL|acetato de geranilo|Acetic acid (2E)-3,7-dimethyl-2,6-octadienyl ester|Acetic acid geraniol ester|Acetic acid, geraniol ester|Bay pine (oyster) oil|BRN 1722815|EINECS 203-341-5|ESSIGSAEURE-GERANYLESTER|FEMA No. 2509|FEMA Number 2509|Geraniol acetate|Geranyl acetate A|Geranyl ethanoate|Geranylacetat|NCI-C54728|NSC 2584|trans-1-Acetoxy-3,7-dimethyl-2,6-octadiene|trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate|trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate|trans-3,7-Dim|130396-84-8|8022-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020654 https://doi.org/10.22427/NTP-DATA-DTXSID0020654
ERPathway2016 ERPathway2016_1084 Geranyl acetate 105-87-3 DTXSID0020654 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(C)=CCOC(C)=O Geranyl acetate 105-87-3|Geranyl acetate|(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate|(E)-3,7-Dimethyl-2,6-octadien-1-ol acetate|(E)-3,7-Dimethyl-2,6-octadienyl acetate|2,6-Dimethyl-2,6-octadiene-8-yl acetate|2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-|3,7-Dimethyl-2-trans, 6-octadienyl acetate|3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-|4-02-00-00204|Acetate de geranyle|ACETATE, GERANYL|acetato de geranilo|Acetic acid (2E)-3,7-dimethyl-2,6-octadienyl ester|Acetic acid geraniol ester|Acetic acid, geraniol ester|Bay pine (oyster) oil|BRN 1722815|EINECS 203-341-5|ESSIGSAEURE-GERANYLESTER|FEMA No. 2509|FEMA Number 2509|Geraniol acetate|Geranyl acetate A|Geranyl ethanoate|Geranylacetat|NCI-C54728|NSC 2584|trans-1-Acetoxy-3,7-dimethyl-2,6-octadiene|trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate|trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate|trans-3,7-Dim|130396-84-8|8022-83-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020654 https://doi.org/10.22427/NTP-DATA-DTXSID0020654
ARPathway2016 ARPathway2016_1548 Gibberellic acid 77-06-5 DTXSID0020656 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O Gibberellic acid 77-06-5|Gibberellic acid|(+)-Gibberellic acid|(+)-Gibberellin A3|(1alpha,2beta,4aalpha,4bbeta,10beta)-2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone|(3S,3aR,4S,4aS,7S,9aR,9bR,12S)-7,12-Dihydroxy-3-methyl-6-methylene-2-oxoperhydro-4a,7-methano-9b,3-propenoazuleno(1,2-b)furan-4-carboxylic acid|(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-Dihydroxy-3-methyl-12-methylen-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carbonsaure|(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carboxylic acid|(3S,3aS,4S,4aS,6S,8aS,8bS,11S)-6,11-Dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno(1,2-b)furan-4-carboxylic acid|(3S,3aS,4S,4aS,7S,9aR,9bR,12S)-7,12-Dihydroxy-3-methyl-6-methylene-2-oxoperhydro-4a,7-methano-9b,3-propeno(1,2-b)furan-4-carboxylic acid|2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone|2beta,4aalpha,7-Trihydroxy-1beta-methyl-8-methylene-4aalpha,4bb|1405-96-5|1423015-91-1|16202-20-3|192662-67-2|295313-57-4|474760-45-7|58915-44-9|7121-55-3|859282-71-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020656 https://doi.org/10.22427/NTP-DATA-DTXSID0020656
ARPathway2016 ARPathway2016_1548 Gibberellic acid 77-06-5 DTXSID0020656 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O Gibberellic acid 77-06-5|Gibberellic acid|(+)-Gibberellic acid|(+)-Gibberellin A3|(1alpha,2beta,4aalpha,4bbeta,10beta)-2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone|(3S,3aR,4S,4aS,7S,9aR,9bR,12S)-7,12-Dihydroxy-3-methyl-6-methylene-2-oxoperhydro-4a,7-methano-9b,3-propenoazuleno(1,2-b)furan-4-carboxylic acid|(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-Dihydroxy-3-methyl-12-methylen-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carbonsaure|(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carboxylic acid|(3S,3aS,4S,4aS,6S,8aS,8bS,11S)-6,11-Dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno(1,2-b)furan-4-carboxylic acid|(3S,3aS,4S,4aS,7S,9aR,9bR,12S)-7,12-Dihydroxy-3-methyl-6-methylene-2-oxoperhydro-4a,7-methano-9b,3-propeno(1,2-b)furan-4-carboxylic acid|2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone|2beta,4aalpha,7-Trihydroxy-1beta-methyl-8-methylene-4aalpha,4bb|1405-96-5|1423015-91-1|16202-20-3|192662-67-2|295313-57-4|474760-45-7|58915-44-9|7121-55-3|859282-71-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020656 https://doi.org/10.22427/NTP-DATA-DTXSID0020656
ARPathway2016 ARPathway2016_1548 Gibberellic acid 77-06-5 DTXSID0020656 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O Gibberellic acid 77-06-5|Gibberellic acid|(+)-Gibberellic acid|(+)-Gibberellin A3|(1alpha,2beta,4aalpha,4bbeta,10beta)-2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone|(3S,3aR,4S,4aS,7S,9aR,9bR,12S)-7,12-Dihydroxy-3-methyl-6-methylene-2-oxoperhydro-4a,7-methano-9b,3-propenoazuleno(1,2-b)furan-4-carboxylic acid|(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-Dihydroxy-3-methyl-12-methylen-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carbonsaure|(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carboxylic acid|(3S,3aS,4S,4aS,6S,8aS,8bS,11S)-6,11-Dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno(1,2-b)furan-4-carboxylic acid|(3S,3aS,4S,4aS,7S,9aR,9bR,12S)-7,12-Dihydroxy-3-methyl-6-methylene-2-oxoperhydro-4a,7-methano-9b,3-propeno(1,2-b)furan-4-carboxylic acid|2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone|2beta,4aalpha,7-Trihydroxy-1beta-methyl-8-methylene-4aalpha,4bb|1405-96-5|1423015-91-1|16202-20-3|192662-67-2|295313-57-4|474760-45-7|58915-44-9|7121-55-3|859282-71-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020656 https://doi.org/10.22427/NTP-DATA-DTXSID0020656
ARPathway2016 ARPathway2016_1548 Gibberellic acid 77-06-5 DTXSID0020656 0.0 AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O Gibberellic acid 77-06-5|Gibberellic acid|(+)-Gibberellic acid|(+)-Gibberellin A3|(1alpha,2beta,4aalpha,4bbeta,10beta)-2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone|(3S,3aR,4S,4aS,7S,9aR,9bR,12S)-7,12-Dihydroxy-3-methyl-6-methylene-2-oxoperhydro-4a,7-methano-9b,3-propenoazuleno(1,2-b)furan-4-carboxylic acid|(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-Dihydroxy-3-methyl-12-methylen-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carbonsaure|(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carboxylic acid|(3S,3aS,4S,4aS,6S,8aS,8bS,11S)-6,11-Dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno(1,2-b)furan-4-carboxylic acid|(3S,3aS,4S,4aS,7S,9aR,9bR,12S)-7,12-Dihydroxy-3-methyl-6-methylene-2-oxoperhydro-4a,7-methano-9b,3-propeno(1,2-b)furan-4-carboxylic acid|2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone|2beta,4aalpha,7-Trihydroxy-1beta-methyl-8-methylene-4aalpha,4bb|1405-96-5|1423015-91-1|16202-20-3|192662-67-2|295313-57-4|474760-45-7|58915-44-9|7121-55-3|859282-71-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020656 https://doi.org/10.22427/NTP-DATA-DTXSID0020656
ERPathway2016 ERPathway2016_1651 Gibberellic acid 77-06-5 DTXSID0020656 ER Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O Gibberellic acid 77-06-5|Gibberellic acid|(+)-Gibberellic acid|(+)-Gibberellin A3|(1alpha,2beta,4aalpha,4bbeta,10beta)-2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone|(3S,3aR,4S,4aS,7S,9aR,9bR,12S)-7,12-Dihydroxy-3-methyl-6-methylene-2-oxoperhydro-4a,7-methano-9b,3-propenoazuleno(1,2-b)furan-4-carboxylic acid|(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-Dihydroxy-3-methyl-12-methylen-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carbonsaure|(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carboxylic acid|(3S,3aS,4S,4aS,6S,8aS,8bS,11S)-6,11-Dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno(1,2-b)furan-4-carboxylic acid|(3S,3aS,4S,4aS,7S,9aR,9bR,12S)-7,12-Dihydroxy-3-methyl-6-methylene-2-oxoperhydro-4a,7-methano-9b,3-propeno(1,2-b)furan-4-carboxylic acid|2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone|2beta,4aalpha,7-Trihydroxy-1beta-methyl-8-methylene-4aalpha,4bb|1405-96-5|1423015-91-1|16202-20-3|192662-67-2|295313-57-4|474760-45-7|58915-44-9|7121-55-3|859282-71-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020656 https://doi.org/10.22427/NTP-DATA-DTXSID0020656
ERPathway2016 ERPathway2016_1651 Gibberellic acid 77-06-5 DTXSID0020656 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O Gibberellic acid 77-06-5|Gibberellic acid|(+)-Gibberellic acid|(+)-Gibberellin A3|(1alpha,2beta,4aalpha,4bbeta,10beta)-2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone|(3S,3aR,4S,4aS,7S,9aR,9bR,12S)-7,12-Dihydroxy-3-methyl-6-methylene-2-oxoperhydro-4a,7-methano-9b,3-propenoazuleno(1,2-b)furan-4-carboxylic acid|(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-Dihydroxy-3-methyl-12-methylen-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carbonsaure|(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carboxylic acid|(3S,3aS,4S,4aS,6S,8aS,8bS,11S)-6,11-Dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno(1,2-b)furan-4-carboxylic acid|(3S,3aS,4S,4aS,7S,9aR,9bR,12S)-7,12-Dihydroxy-3-methyl-6-methylene-2-oxoperhydro-4a,7-methano-9b,3-propeno(1,2-b)furan-4-carboxylic acid|2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone|2beta,4aalpha,7-Trihydroxy-1beta-methyl-8-methylene-4aalpha,4bb|1405-96-5|1423015-91-1|16202-20-3|192662-67-2|295313-57-4|474760-45-7|58915-44-9|7121-55-3|859282-71-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020656 https://doi.org/10.22427/NTP-DATA-DTXSID0020656
ERPathway2016 ERPathway2016_1651 Gibberellic acid 77-06-5 DTXSID0020656 ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O Gibberellic acid 77-06-5|Gibberellic acid|(+)-Gibberellic acid|(+)-Gibberellin A3|(1alpha,2beta,4aalpha,4bbeta,10beta)-2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone|(3S,3aR,4S,4aS,7S,9aR,9bR,12S)-7,12-Dihydroxy-3-methyl-6-methylene-2-oxoperhydro-4a,7-methano-9b,3-propenoazuleno(1,2-b)furan-4-carboxylic acid|(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-Dihydroxy-3-methyl-12-methylen-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carbonsaure|(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carboxylic acid|(3S,3aS,4S,4aS,6S,8aS,8bS,11S)-6,11-Dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno(1,2-b)furan-4-carboxylic acid|(3S,3aS,4S,4aS,7S,9aR,9bR,12S)-7,12-Dihydroxy-3-methyl-6-methylene-2-oxoperhydro-4a,7-methano-9b,3-propeno(1,2-b)furan-4-carboxylic acid|2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone|2beta,4aalpha,7-Trihydroxy-1beta-methyl-8-methylene-4aalpha,4bb|1405-96-5|1423015-91-1|16202-20-3|192662-67-2|295313-57-4|474760-45-7|58915-44-9|7121-55-3|859282-71-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020656 https://doi.org/10.22427/NTP-DATA-DTXSID0020656
ERPathway2016 ERPathway2016_1651 Gibberellic acid 77-06-5 DTXSID0020656 ER Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O Gibberellic acid 77-06-5|Gibberellic acid|(+)-Gibberellic acid|(+)-Gibberellin A3|(1alpha,2beta,4aalpha,4bbeta,10beta)-2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone|(3S,3aR,4S,4aS,7S,9aR,9bR,12S)-7,12-Dihydroxy-3-methyl-6-methylene-2-oxoperhydro-4a,7-methano-9b,3-propenoazuleno(1,2-b)furan-4-carboxylic acid|(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-Dihydroxy-3-methyl-12-methylen-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carbonsaure|(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carboxylic acid|(3S,3aS,4S,4aS,6S,8aS,8bS,11S)-6,11-Dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno(1,2-b)furan-4-carboxylic acid|(3S,3aS,4S,4aS,7S,9aR,9bR,12S)-7,12-Dihydroxy-3-methyl-6-methylene-2-oxoperhydro-4a,7-methano-9b,3-propeno(1,2-b)furan-4-carboxylic acid|2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone|2beta,4aalpha,7-Trihydroxy-1beta-methyl-8-methylene-4aalpha,4bb|1405-96-5|1423015-91-1|16202-20-3|192662-67-2|295313-57-4|474760-45-7|58915-44-9|7121-55-3|859282-71-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020656 https://doi.org/10.22427/NTP-DATA-DTXSID0020656
ARPathway2016 ARPathway2016_345 Glutaraldehyde 111-30-8 DTXSID6025355 1.0 Agonist AR Pathway Model, Antagonist ACC 0.849729331848536 uM O=CCCCC=O Glutaraldehyde 111-30-8|Glutaraldehyde|1,3-Diformylpropane|1,5-Pentanedial|1,5-Pentanedione|4-01-00-03659|5-Oxopentanal|Aldehyd glutarowy|Aldesan|Aldesen|Alhydex|Bactron K 31|Banicide|Biocide G 30|Biomate 743|BRN 0605390|Caswell No. 468|Cidex-Dialyzer|Cidexplus|Cleancide 275|Diglutaric aldehyde|EINECS 203-856-5|EPA Pesticide Chemical Code 043901|Floperm 665X1|Glu-Cid|Glutaclean|Glutaral|GLUTARALDEHYD|Glutaralum|Glutardialdehyde|Glutarex 28|Glutaric acid dialdehyde|Glutaric aldehyde|Glutaric dialdehyde|Glutarol|Glutohyde|NCI-C55425|NSC 13392|Panavirocide|Pentanedial|Permachem OB 5|Relugan GT|Relugan GT 50|Relugan GTW|Sellatan CF-N|Sonacide|Sporicidin|Sterihyde|Sterihyde L|Sterisol S|Surcide G 50|Tret-O-Lite XC 102|Ucarcide 250|UNII-T3C89M417N|Venno-FF super|Wavicide 01|107950-89-0|1428979-54-7|1497435-71-8|37245-61-7|79215-57-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025355 https://doi.org/10.22427/NTP-DATA-DTXSID6025355
ARPathway2016 ARPathway2016_345 Glutaraldehyde 111-30-8 DTXSID6025355 1.0 Agonist AR Pathway Model, Antagonist AC50 1.32366462832733 uM O=CCCCC=O Glutaraldehyde 111-30-8|Glutaraldehyde|1,3-Diformylpropane|1,5-Pentanedial|1,5-Pentanedione|4-01-00-03659|5-Oxopentanal|Aldehyd glutarowy|Aldesan|Aldesen|Alhydex|Bactron K 31|Banicide|Biocide G 30|Biomate 743|BRN 0605390|Caswell No. 468|Cidex-Dialyzer|Cidexplus|Cleancide 275|Diglutaric aldehyde|EINECS 203-856-5|EPA Pesticide Chemical Code 043901|Floperm 665X1|Glu-Cid|Glutaclean|Glutaral|GLUTARALDEHYD|Glutaralum|Glutardialdehyde|Glutarex 28|Glutaric acid dialdehyde|Glutaric aldehyde|Glutaric dialdehyde|Glutarol|Glutohyde|NCI-C55425|NSC 13392|Panavirocide|Pentanedial|Permachem OB 5|Relugan GT|Relugan GT 50|Relugan GTW|Sellatan CF-N|Sonacide|Sporicidin|Sterihyde|Sterihyde L|Sterisol S|Surcide G 50|Tret-O-Lite XC 102|Ucarcide 250|UNII-T3C89M417N|Venno-FF super|Wavicide 01|107950-89-0|1428979-54-7|1497435-71-8|37245-61-7|79215-57-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025355 https://doi.org/10.22427/NTP-DATA-DTXSID6025355
ARPathway2016 ARPathway2016_345 Glutaraldehyde 111-30-8 DTXSID6025355 1.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless O=CCCCC=O Glutaraldehyde 111-30-8|Glutaraldehyde|1,3-Diformylpropane|1,5-Pentanedial|1,5-Pentanedione|4-01-00-03659|5-Oxopentanal|Aldehyd glutarowy|Aldesan|Aldesen|Alhydex|Bactron K 31|Banicide|Biocide G 30|Biomate 743|BRN 0605390|Caswell No. 468|Cidex-Dialyzer|Cidexplus|Cleancide 275|Diglutaric aldehyde|EINECS 203-856-5|EPA Pesticide Chemical Code 043901|Floperm 665X1|Glu-Cid|Glutaclean|Glutaral|GLUTARALDEHYD|Glutaralum|Glutardialdehyde|Glutarex 28|Glutaric acid dialdehyde|Glutaric aldehyde|Glutaric dialdehyde|Glutarol|Glutohyde|NCI-C55425|NSC 13392|Panavirocide|Pentanedial|Permachem OB 5|Relugan GT|Relugan GT 50|Relugan GTW|Sellatan CF-N|Sonacide|Sporicidin|Sterihyde|Sterihyde L|Sterisol S|Surcide G 50|Tret-O-Lite XC 102|Ucarcide 250|UNII-T3C89M417N|Venno-FF super|Wavicide 01|107950-89-0|1428979-54-7|1497435-71-8|37245-61-7|79215-57-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025355 https://doi.org/10.22427/NTP-DATA-DTXSID6025355
ARPathway2016 ARPathway2016_345 Glutaraldehyde 111-30-8 DTXSID6025355 1.0 Agonist AR Pathway Model, Agonist Model Score 0.0532 Unitless O=CCCCC=O Glutaraldehyde 111-30-8|Glutaraldehyde|1,3-Diformylpropane|1,5-Pentanedial|1,5-Pentanedione|4-01-00-03659|5-Oxopentanal|Aldehyd glutarowy|Aldesan|Aldesen|Alhydex|Bactron K 31|Banicide|Biocide G 30|Biomate 743|BRN 0605390|Caswell No. 468|Cidex-Dialyzer|Cidexplus|Cleancide 275|Diglutaric aldehyde|EINECS 203-856-5|EPA Pesticide Chemical Code 043901|Floperm 665X1|Glu-Cid|Glutaclean|Glutaral|GLUTARALDEHYD|Glutaralum|Glutardialdehyde|Glutarex 28|Glutaric acid dialdehyde|Glutaric aldehyde|Glutaric dialdehyde|Glutarol|Glutohyde|NCI-C55425|NSC 13392|Panavirocide|Pentanedial|Permachem OB 5|Relugan GT|Relugan GT 50|Relugan GTW|Sellatan CF-N|Sonacide|Sporicidin|Sterihyde|Sterihyde L|Sterisol S|Surcide G 50|Tret-O-Lite XC 102|Ucarcide 250|UNII-T3C89M417N|Venno-FF super|Wavicide 01|107950-89-0|1428979-54-7|1497435-71-8|37245-61-7|79215-57-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025355 https://doi.org/10.22427/NTP-DATA-DTXSID6025355
ARPathway2016 ARPathway2016_345 Glutaraldehyde 111-30-8 DTXSID6025355 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless O=CCCCC=O Glutaraldehyde 111-30-8|Glutaraldehyde|1,3-Diformylpropane|1,5-Pentanedial|1,5-Pentanedione|4-01-00-03659|5-Oxopentanal|Aldehyd glutarowy|Aldesan|Aldesen|Alhydex|Bactron K 31|Banicide|Biocide G 30|Biomate 743|BRN 0605390|Caswell No. 468|Cidex-Dialyzer|Cidexplus|Cleancide 275|Diglutaric aldehyde|EINECS 203-856-5|EPA Pesticide Chemical Code 043901|Floperm 665X1|Glu-Cid|Glutaclean|Glutaral|GLUTARALDEHYD|Glutaralum|Glutardialdehyde|Glutarex 28|Glutaric acid dialdehyde|Glutaric aldehyde|Glutaric dialdehyde|Glutarol|Glutohyde|NCI-C55425|NSC 13392|Panavirocide|Pentanedial|Permachem OB 5|Relugan GT|Relugan GT 50|Relugan GTW|Sellatan CF-N|Sonacide|Sporicidin|Sterihyde|Sterihyde L|Sterisol S|Surcide G 50|Tret-O-Lite XC 102|Ucarcide 250|UNII-T3C89M417N|Venno-FF super|Wavicide 01|107950-89-0|1428979-54-7|1497435-71-8|37245-61-7|79215-57-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025355 https://doi.org/10.22427/NTP-DATA-DTXSID6025355
ARPathway2016 ARPathway2016_345 Glutaraldehyde 111-30-8 DTXSID6025355 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless O=CCCCC=O Glutaraldehyde 111-30-8|Glutaraldehyde|1,3-Diformylpropane|1,5-Pentanedial|1,5-Pentanedione|4-01-00-03659|5-Oxopentanal|Aldehyd glutarowy|Aldesan|Aldesen|Alhydex|Bactron K 31|Banicide|Biocide G 30|Biomate 743|BRN 0605390|Caswell No. 468|Cidex-Dialyzer|Cidexplus|Cleancide 275|Diglutaric aldehyde|EINECS 203-856-5|EPA Pesticide Chemical Code 043901|Floperm 665X1|Glu-Cid|Glutaclean|Glutaral|GLUTARALDEHYD|Glutaralum|Glutardialdehyde|Glutarex 28|Glutaric acid dialdehyde|Glutaric aldehyde|Glutaric dialdehyde|Glutarol|Glutohyde|NCI-C55425|NSC 13392|Panavirocide|Pentanedial|Permachem OB 5|Relugan GT|Relugan GT 50|Relugan GTW|Sellatan CF-N|Sonacide|Sporicidin|Sterihyde|Sterihyde L|Sterisol S|Surcide G 50|Tret-O-Lite XC 102|Ucarcide 250|UNII-T3C89M417N|Venno-FF super|Wavicide 01|107950-89-0|1428979-54-7|1497435-71-8|37245-61-7|79215-57-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025355 https://doi.org/10.22427/NTP-DATA-DTXSID6025355
ERPathway2016 ERPathway2016_1043 Glutaraldehyde 111-30-8 DTXSID6025355 ER Pathway Model, Agonist Model Score 0 Unitless O=CCCCC=O Glutaraldehyde 111-30-8|Glutaraldehyde|1,3-Diformylpropane|1,5-Pentanedial|1,5-Pentanedione|4-01-00-03659|5-Oxopentanal|Aldehyd glutarowy|Aldesan|Aldesen|Alhydex|Bactron K 31|Banicide|Biocide G 30|Biomate 743|BRN 0605390|Caswell No. 468|Cidex-Dialyzer|Cidexplus|Cleancide 275|Diglutaric aldehyde|EINECS 203-856-5|EPA Pesticide Chemical Code 043901|Floperm 665X1|Glu-Cid|Glutaclean|Glutaral|GLUTARALDEHYD|Glutaralum|Glutardialdehyde|Glutarex 28|Glutaric acid dialdehyde|Glutaric aldehyde|Glutaric dialdehyde|Glutarol|Glutohyde|NCI-C55425|NSC 13392|Panavirocide|Pentanedial|Permachem OB 5|Relugan GT|Relugan GT 50|Relugan GTW|Sellatan CF-N|Sonacide|Sporicidin|Sterihyde|Sterihyde L|Sterisol S|Surcide G 50|Tret-O-Lite XC 102|Ucarcide 250|UNII-T3C89M417N|Venno-FF super|Wavicide 01|107950-89-0|1428979-54-7|1497435-71-8|37245-61-7|79215-57-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025355 https://doi.org/10.22427/NTP-DATA-DTXSID6025355
ERPathway2016 ERPathway2016_1043 Glutaraldehyde 111-30-8 DTXSID6025355 ER Pathway Model, Antagonist Model Score 0 Unitless O=CCCCC=O Glutaraldehyde 111-30-8|Glutaraldehyde|1,3-Diformylpropane|1,5-Pentanedial|1,5-Pentanedione|4-01-00-03659|5-Oxopentanal|Aldehyd glutarowy|Aldesan|Aldesen|Alhydex|Bactron K 31|Banicide|Biocide G 30|Biomate 743|BRN 0605390|Caswell No. 468|Cidex-Dialyzer|Cidexplus|Cleancide 275|Diglutaric aldehyde|EINECS 203-856-5|EPA Pesticide Chemical Code 043901|Floperm 665X1|Glu-Cid|Glutaclean|Glutaral|GLUTARALDEHYD|Glutaralum|Glutardialdehyde|Glutarex 28|Glutaric acid dialdehyde|Glutaric aldehyde|Glutaric dialdehyde|Glutarol|Glutohyde|NCI-C55425|NSC 13392|Panavirocide|Pentanedial|Permachem OB 5|Relugan GT|Relugan GT 50|Relugan GTW|Sellatan CF-N|Sonacide|Sporicidin|Sterihyde|Sterihyde L|Sterisol S|Surcide G 50|Tret-O-Lite XC 102|Ucarcide 250|UNII-T3C89M417N|Venno-FF super|Wavicide 01|107950-89-0|1428979-54-7|1497435-71-8|37245-61-7|79215-57-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025355 https://doi.org/10.22427/NTP-DATA-DTXSID6025355
ERPathway2016 ERPathway2016_1043 Glutaraldehyde 111-30-8 DTXSID6025355 ER Pathway Model, Agonist Call Inactive Unitless O=CCCCC=O Glutaraldehyde 111-30-8|Glutaraldehyde|1,3-Diformylpropane|1,5-Pentanedial|1,5-Pentanedione|4-01-00-03659|5-Oxopentanal|Aldehyd glutarowy|Aldesan|Aldesen|Alhydex|Bactron K 31|Banicide|Biocide G 30|Biomate 743|BRN 0605390|Caswell No. 468|Cidex-Dialyzer|Cidexplus|Cleancide 275|Diglutaric aldehyde|EINECS 203-856-5|EPA Pesticide Chemical Code 043901|Floperm 665X1|Glu-Cid|Glutaclean|Glutaral|GLUTARALDEHYD|Glutaralum|Glutardialdehyde|Glutarex 28|Glutaric acid dialdehyde|Glutaric aldehyde|Glutaric dialdehyde|Glutarol|Glutohyde|NCI-C55425|NSC 13392|Panavirocide|Pentanedial|Permachem OB 5|Relugan GT|Relugan GT 50|Relugan GTW|Sellatan CF-N|Sonacide|Sporicidin|Sterihyde|Sterihyde L|Sterisol S|Surcide G 50|Tret-O-Lite XC 102|Ucarcide 250|UNII-T3C89M417N|Venno-FF super|Wavicide 01|107950-89-0|1428979-54-7|1497435-71-8|37245-61-7|79215-57-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025355 https://doi.org/10.22427/NTP-DATA-DTXSID6025355
ERPathway2016 ERPathway2016_1043 Glutaraldehyde 111-30-8 DTXSID6025355 ER Pathway Model, Antagonist Call Inactive Unitless O=CCCCC=O Glutaraldehyde 111-30-8|Glutaraldehyde|1,3-Diformylpropane|1,5-Pentanedial|1,5-Pentanedione|4-01-00-03659|5-Oxopentanal|Aldehyd glutarowy|Aldesan|Aldesen|Alhydex|Bactron K 31|Banicide|Biocide G 30|Biomate 743|BRN 0605390|Caswell No. 468|Cidex-Dialyzer|Cidexplus|Cleancide 275|Diglutaric aldehyde|EINECS 203-856-5|EPA Pesticide Chemical Code 043901|Floperm 665X1|Glu-Cid|Glutaclean|Glutaral|GLUTARALDEHYD|Glutaralum|Glutardialdehyde|Glutarex 28|Glutaric acid dialdehyde|Glutaric aldehyde|Glutaric dialdehyde|Glutarol|Glutohyde|NCI-C55425|NSC 13392|Panavirocide|Pentanedial|Permachem OB 5|Relugan GT|Relugan GT 50|Relugan GTW|Sellatan CF-N|Sonacide|Sporicidin|Sterihyde|Sterihyde L|Sterisol S|Surcide G 50|Tret-O-Lite XC 102|Ucarcide 250|UNII-T3C89M417N|Venno-FF super|Wavicide 01|107950-89-0|1428979-54-7|1497435-71-8|37245-61-7|79215-57-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025355 https://doi.org/10.22427/NTP-DATA-DTXSID6025355
ARPathway2016 ARPathway2016_1335 Glycerol 56-81-5 DTXSID9020663 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCC(O)CO Glycerol 56-81-5|Glycerol|1,2,3-Propanetriol|1,2,3-Trihydroxypropane|2-Propanol, 1,3-dihydroxy-|200-289-5|4-01-00-02751|90 Technical glycerine|BRN 0635685|Bulbold|Caswell No. 469|Citifluor AF 2|Clyzerin, wasserfrei|CRAON 17-501|Cristal|Crude glycerine|Dagralax|DG Glycerin|E 422|EC No.: 200-289-5|EINECS 200-289-5|Emery 916|FEMA No. 2525|Glicerina|glicerol|Glyceol Opthalgan|Glycerin|Glycerin DG|Glycerin, anhydrous|GLYCERINE|GLYCERINE, CRUDE|Glycerinum|Glyceritol|Glycerol Pure|Glycerolum|Glycyl alcohol|Glyrol|Glysanin|Glyzerin|Gro|Grocolene|IFP|Mackstat H 66|NSC 9230|Oelsuess|Ophthalgan|Osmoglyn|PC 063507|PC Code 063507|Pricerine 9088|Pricerine 9091|propane-1,2,3-triol|Propanetriol|RG-S|Synthetic glycerin|Synthetic glycerine|Trihydroxypropane|Tryhydroxypropane|UNII-PDC6A3C0OX|Vitrosupos|1400594-62-8|1422250-43-8|1629856-20-7|29796-42-7|30049-52-6|37228-54-9|75398-78-6|78630-16-7|8013-25-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020663 https://doi.org/10.22427/NTP-DATA-DTXSID9020663
ARPathway2016 ARPathway2016_1335 Glycerol 56-81-5 DTXSID9020663 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCC(O)CO Glycerol 56-81-5|Glycerol|1,2,3-Propanetriol|1,2,3-Trihydroxypropane|2-Propanol, 1,3-dihydroxy-|200-289-5|4-01-00-02751|90 Technical glycerine|BRN 0635685|Bulbold|Caswell No. 469|Citifluor AF 2|Clyzerin, wasserfrei|CRAON 17-501|Cristal|Crude glycerine|Dagralax|DG Glycerin|E 422|EC No.: 200-289-5|EINECS 200-289-5|Emery 916|FEMA No. 2525|Glicerina|glicerol|Glyceol Opthalgan|Glycerin|Glycerin DG|Glycerin, anhydrous|GLYCERINE|GLYCERINE, CRUDE|Glycerinum|Glyceritol|Glycerol Pure|Glycerolum|Glycyl alcohol|Glyrol|Glysanin|Glyzerin|Gro|Grocolene|IFP|Mackstat H 66|NSC 9230|Oelsuess|Ophthalgan|Osmoglyn|PC 063507|PC Code 063507|Pricerine 9088|Pricerine 9091|propane-1,2,3-triol|Propanetriol|RG-S|Synthetic glycerin|Synthetic glycerine|Trihydroxypropane|Tryhydroxypropane|UNII-PDC6A3C0OX|Vitrosupos|1400594-62-8|1422250-43-8|1629856-20-7|29796-42-7|30049-52-6|37228-54-9|75398-78-6|78630-16-7|8013-25-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020663 https://doi.org/10.22427/NTP-DATA-DTXSID9020663
ARPathway2016 ARPathway2016_1335 Glycerol 56-81-5 DTXSID9020663 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCC(O)CO Glycerol 56-81-5|Glycerol|1,2,3-Propanetriol|1,2,3-Trihydroxypropane|2-Propanol, 1,3-dihydroxy-|200-289-5|4-01-00-02751|90 Technical glycerine|BRN 0635685|Bulbold|Caswell No. 469|Citifluor AF 2|Clyzerin, wasserfrei|CRAON 17-501|Cristal|Crude glycerine|Dagralax|DG Glycerin|E 422|EC No.: 200-289-5|EINECS 200-289-5|Emery 916|FEMA No. 2525|Glicerina|glicerol|Glyceol Opthalgan|Glycerin|Glycerin DG|Glycerin, anhydrous|GLYCERINE|GLYCERINE, CRUDE|Glycerinum|Glyceritol|Glycerol Pure|Glycerolum|Glycyl alcohol|Glyrol|Glysanin|Glyzerin|Gro|Grocolene|IFP|Mackstat H 66|NSC 9230|Oelsuess|Ophthalgan|Osmoglyn|PC 063507|PC Code 063507|Pricerine 9088|Pricerine 9091|propane-1,2,3-triol|Propanetriol|RG-S|Synthetic glycerin|Synthetic glycerine|Trihydroxypropane|Tryhydroxypropane|UNII-PDC6A3C0OX|Vitrosupos|1400594-62-8|1422250-43-8|1629856-20-7|29796-42-7|30049-52-6|37228-54-9|75398-78-6|78630-16-7|8013-25-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020663 https://doi.org/10.22427/NTP-DATA-DTXSID9020663
ARPathway2016 ARPathway2016_1335 Glycerol 56-81-5 DTXSID9020663 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCC(O)CO Glycerol 56-81-5|Glycerol|1,2,3-Propanetriol|1,2,3-Trihydroxypropane|2-Propanol, 1,3-dihydroxy-|200-289-5|4-01-00-02751|90 Technical glycerine|BRN 0635685|Bulbold|Caswell No. 469|Citifluor AF 2|Clyzerin, wasserfrei|CRAON 17-501|Cristal|Crude glycerine|Dagralax|DG Glycerin|E 422|EC No.: 200-289-5|EINECS 200-289-5|Emery 916|FEMA No. 2525|Glicerina|glicerol|Glyceol Opthalgan|Glycerin|Glycerin DG|Glycerin, anhydrous|GLYCERINE|GLYCERINE, CRUDE|Glycerinum|Glyceritol|Glycerol Pure|Glycerolum|Glycyl alcohol|Glyrol|Glysanin|Glyzerin|Gro|Grocolene|IFP|Mackstat H 66|NSC 9230|Oelsuess|Ophthalgan|Osmoglyn|PC 063507|PC Code 063507|Pricerine 9088|Pricerine 9091|propane-1,2,3-triol|Propanetriol|RG-S|Synthetic glycerin|Synthetic glycerine|Trihydroxypropane|Tryhydroxypropane|UNII-PDC6A3C0OX|Vitrosupos|1400594-62-8|1422250-43-8|1629856-20-7|29796-42-7|30049-52-6|37228-54-9|75398-78-6|78630-16-7|8013-25-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020663 https://doi.org/10.22427/NTP-DATA-DTXSID9020663
ERPathway2016 ERPathway2016_1543 Glycerol 56-81-5 DTXSID9020663 ER Pathway Model, Agonist Model Score 0 Unitless OCC(O)CO Glycerol 56-81-5|Glycerol|1,2,3-Propanetriol|1,2,3-Trihydroxypropane|2-Propanol, 1,3-dihydroxy-|200-289-5|4-01-00-02751|90 Technical glycerine|BRN 0635685|Bulbold|Caswell No. 469|Citifluor AF 2|Clyzerin, wasserfrei|CRAON 17-501|Cristal|Crude glycerine|Dagralax|DG Glycerin|E 422|EC No.: 200-289-5|EINECS 200-289-5|Emery 916|FEMA No. 2525|Glicerina|glicerol|Glyceol Opthalgan|Glycerin|Glycerin DG|Glycerin, anhydrous|GLYCERINE|GLYCERINE, CRUDE|Glycerinum|Glyceritol|Glycerol Pure|Glycerolum|Glycyl alcohol|Glyrol|Glysanin|Glyzerin|Gro|Grocolene|IFP|Mackstat H 66|NSC 9230|Oelsuess|Ophthalgan|Osmoglyn|PC 063507|PC Code 063507|Pricerine 9088|Pricerine 9091|propane-1,2,3-triol|Propanetriol|RG-S|Synthetic glycerin|Synthetic glycerine|Trihydroxypropane|Tryhydroxypropane|UNII-PDC6A3C0OX|Vitrosupos|1400594-62-8|1422250-43-8|1629856-20-7|29796-42-7|30049-52-6|37228-54-9|75398-78-6|78630-16-7|8013-25-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020663 https://doi.org/10.22427/NTP-DATA-DTXSID9020663
ERPathway2016 ERPathway2016_1543 Glycerol 56-81-5 DTXSID9020663 ER Pathway Model, Antagonist Model Score 0 Unitless OCC(O)CO Glycerol 56-81-5|Glycerol|1,2,3-Propanetriol|1,2,3-Trihydroxypropane|2-Propanol, 1,3-dihydroxy-|200-289-5|4-01-00-02751|90 Technical glycerine|BRN 0635685|Bulbold|Caswell No. 469|Citifluor AF 2|Clyzerin, wasserfrei|CRAON 17-501|Cristal|Crude glycerine|Dagralax|DG Glycerin|E 422|EC No.: 200-289-5|EINECS 200-289-5|Emery 916|FEMA No. 2525|Glicerina|glicerol|Glyceol Opthalgan|Glycerin|Glycerin DG|Glycerin, anhydrous|GLYCERINE|GLYCERINE, CRUDE|Glycerinum|Glyceritol|Glycerol Pure|Glycerolum|Glycyl alcohol|Glyrol|Glysanin|Glyzerin|Gro|Grocolene|IFP|Mackstat H 66|NSC 9230|Oelsuess|Ophthalgan|Osmoglyn|PC 063507|PC Code 063507|Pricerine 9088|Pricerine 9091|propane-1,2,3-triol|Propanetriol|RG-S|Synthetic glycerin|Synthetic glycerine|Trihydroxypropane|Tryhydroxypropane|UNII-PDC6A3C0OX|Vitrosupos|1400594-62-8|1422250-43-8|1629856-20-7|29796-42-7|30049-52-6|37228-54-9|75398-78-6|78630-16-7|8013-25-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020663 https://doi.org/10.22427/NTP-DATA-DTXSID9020663
ERPathway2016 ERPathway2016_1543 Glycerol 56-81-5 DTXSID9020663 ER Pathway Model, Agonist Call Inactive Unitless OCC(O)CO Glycerol 56-81-5|Glycerol|1,2,3-Propanetriol|1,2,3-Trihydroxypropane|2-Propanol, 1,3-dihydroxy-|200-289-5|4-01-00-02751|90 Technical glycerine|BRN 0635685|Bulbold|Caswell No. 469|Citifluor AF 2|Clyzerin, wasserfrei|CRAON 17-501|Cristal|Crude glycerine|Dagralax|DG Glycerin|E 422|EC No.: 200-289-5|EINECS 200-289-5|Emery 916|FEMA No. 2525|Glicerina|glicerol|Glyceol Opthalgan|Glycerin|Glycerin DG|Glycerin, anhydrous|GLYCERINE|GLYCERINE, CRUDE|Glycerinum|Glyceritol|Glycerol Pure|Glycerolum|Glycyl alcohol|Glyrol|Glysanin|Glyzerin|Gro|Grocolene|IFP|Mackstat H 66|NSC 9230|Oelsuess|Ophthalgan|Osmoglyn|PC 063507|PC Code 063507|Pricerine 9088|Pricerine 9091|propane-1,2,3-triol|Propanetriol|RG-S|Synthetic glycerin|Synthetic glycerine|Trihydroxypropane|Tryhydroxypropane|UNII-PDC6A3C0OX|Vitrosupos|1400594-62-8|1422250-43-8|1629856-20-7|29796-42-7|30049-52-6|37228-54-9|75398-78-6|78630-16-7|8013-25-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020663 https://doi.org/10.22427/NTP-DATA-DTXSID9020663
ERPathway2016 ERPathway2016_1543 Glycerol 56-81-5 DTXSID9020663 ER Pathway Model, Antagonist Call Inactive Unitless OCC(O)CO Glycerol 56-81-5|Glycerol|1,2,3-Propanetriol|1,2,3-Trihydroxypropane|2-Propanol, 1,3-dihydroxy-|200-289-5|4-01-00-02751|90 Technical glycerine|BRN 0635685|Bulbold|Caswell No. 469|Citifluor AF 2|Clyzerin, wasserfrei|CRAON 17-501|Cristal|Crude glycerine|Dagralax|DG Glycerin|E 422|EC No.: 200-289-5|EINECS 200-289-5|Emery 916|FEMA No. 2525|Glicerina|glicerol|Glyceol Opthalgan|Glycerin|Glycerin DG|Glycerin, anhydrous|GLYCERINE|GLYCERINE, CRUDE|Glycerinum|Glyceritol|Glycerol Pure|Glycerolum|Glycyl alcohol|Glyrol|Glysanin|Glyzerin|Gro|Grocolene|IFP|Mackstat H 66|NSC 9230|Oelsuess|Ophthalgan|Osmoglyn|PC 063507|PC Code 063507|Pricerine 9088|Pricerine 9091|propane-1,2,3-triol|Propanetriol|RG-S|Synthetic glycerin|Synthetic glycerine|Trihydroxypropane|Tryhydroxypropane|UNII-PDC6A3C0OX|Vitrosupos|1400594-62-8|1422250-43-8|1629856-20-7|29796-42-7|30049-52-6|37228-54-9|75398-78-6|78630-16-7|8013-25-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020663 https://doi.org/10.22427/NTP-DATA-DTXSID9020663
ARPathway2016 ARPathway2016_1074 Glyceryl monooctanoate 26402-26-6 DTXSID8042006 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Glyceryl monooctanoate 26402-26-6|Glyceryl monooctanoate|Capmul MCM-C 8|Caprylic acid monoglyceride|EINECS 247-668-1|Glycerin monocaprylate|Glycerol monocaprylate|Glyceryl caprylate|Imwitor 308|Monocaprylin|Octanoic acid, monoester with 1,2,3-propanetriol|Octanoin, mono-|Sunsoft 700P|Sunsoft 700p2|119938-58-8|1330-55-8|26894-47-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042006
ARPathway2016 ARPathway2016_1074 Glyceryl monooctanoate 26402-26-6 DTXSID8042006 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Glyceryl monooctanoate 26402-26-6|Glyceryl monooctanoate|Capmul MCM-C 8|Caprylic acid monoglyceride|EINECS 247-668-1|Glycerin monocaprylate|Glycerol monocaprylate|Glyceryl caprylate|Imwitor 308|Monocaprylin|Octanoic acid, monoester with 1,2,3-propanetriol|Octanoin, mono-|Sunsoft 700P|Sunsoft 700p2|119938-58-8|1330-55-8|26894-47-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042006
ARPathway2016 ARPathway2016_1074 Glyceryl monooctanoate 26402-26-6 DTXSID8042006 0.0 AR Pathway Model, Agonist Call Inactive Unitless Glyceryl monooctanoate 26402-26-6|Glyceryl monooctanoate|Capmul MCM-C 8|Caprylic acid monoglyceride|EINECS 247-668-1|Glycerin monocaprylate|Glycerol monocaprylate|Glyceryl caprylate|Imwitor 308|Monocaprylin|Octanoic acid, monoester with 1,2,3-propanetriol|Octanoin, mono-|Sunsoft 700P|Sunsoft 700p2|119938-58-8|1330-55-8|26894-47-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042006
ARPathway2016 ARPathway2016_1074 Glyceryl monooctanoate 26402-26-6 DTXSID8042006 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Glyceryl monooctanoate 26402-26-6|Glyceryl monooctanoate|Capmul MCM-C 8|Caprylic acid monoglyceride|EINECS 247-668-1|Glycerin monocaprylate|Glycerol monocaprylate|Glyceryl caprylate|Imwitor 308|Monocaprylin|Octanoic acid, monoester with 1,2,3-propanetriol|Octanoin, mono-|Sunsoft 700P|Sunsoft 700p2|119938-58-8|1330-55-8|26894-47-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042006
ERPathway2016 ERPathway2016_1414 Glyceryl monooctanoate 26402-26-6 DTXSID8042006 ER Pathway Model, Agonist Model Score 0 Unitless Glyceryl monooctanoate 26402-26-6|Glyceryl monooctanoate|Capmul MCM-C 8|Caprylic acid monoglyceride|EINECS 247-668-1|Glycerin monocaprylate|Glycerol monocaprylate|Glyceryl caprylate|Imwitor 308|Monocaprylin|Octanoic acid, monoester with 1,2,3-propanetriol|Octanoin, mono-|Sunsoft 700P|Sunsoft 700p2|119938-58-8|1330-55-8|26894-47-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042006
ERPathway2016 ERPathway2016_1414 Glyceryl monooctanoate 26402-26-6 DTXSID8042006 ER Pathway Model, Antagonist Model Score 0 Unitless Glyceryl monooctanoate 26402-26-6|Glyceryl monooctanoate|Capmul MCM-C 8|Caprylic acid monoglyceride|EINECS 247-668-1|Glycerin monocaprylate|Glycerol monocaprylate|Glyceryl caprylate|Imwitor 308|Monocaprylin|Octanoic acid, monoester with 1,2,3-propanetriol|Octanoin, mono-|Sunsoft 700P|Sunsoft 700p2|119938-58-8|1330-55-8|26894-47-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042006
ERPathway2016 ERPathway2016_1414 Glyceryl monooctanoate 26402-26-6 DTXSID8042006 ER Pathway Model, Agonist Call Inactive Unitless Glyceryl monooctanoate 26402-26-6|Glyceryl monooctanoate|Capmul MCM-C 8|Caprylic acid monoglyceride|EINECS 247-668-1|Glycerin monocaprylate|Glycerol monocaprylate|Glyceryl caprylate|Imwitor 308|Monocaprylin|Octanoic acid, monoester with 1,2,3-propanetriol|Octanoin, mono-|Sunsoft 700P|Sunsoft 700p2|119938-58-8|1330-55-8|26894-47-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042006
ERPathway2016 ERPathway2016_1414 Glyceryl monooctanoate 26402-26-6 DTXSID8042006 ER Pathway Model, Antagonist Call Inactive Unitless Glyceryl monooctanoate 26402-26-6|Glyceryl monooctanoate|Capmul MCM-C 8|Caprylic acid monoglyceride|EINECS 247-668-1|Glycerin monocaprylate|Glycerol monocaprylate|Glyceryl caprylate|Imwitor 308|Monocaprylin|Octanoic acid, monoester with 1,2,3-propanetriol|Octanoin, mono-|Sunsoft 700P|Sunsoft 700p2|119938-58-8|1330-55-8|26894-47-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042006
ARPathway2016 ARPathway2016_1054 Glyceryl monooleate 25496-72-4 DTXSID3027875 1.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless Glyceryl monooleate 25496-72-4|Glyceryl monooleate|(Z)-9-Octadecenoic acid monoester with 1,2,3-propanetriol|1-Mono[cis-9-octadecenoyl] -rac-glycerol|1,2,3-Propanetriol mono((Z)-9-octadecenoate)|9-Octadecanoic acid (Z)-monoester with 1,2,3-propanetriol|9-Octadecenoic acid (9Z)-, monoester with 1,2,3-propanetriol|9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol|9-Octadecenoic acid, monoester with 1,2,3-propanetriol, (Z)-|acide oleique, monoester avec glycerol|Acide oleique, monoester avec le glycerol|acido oleico, monoester con glicerol|Adchem GMO|Agnique GMO|Ajax GMO|Aldo MO|Aldo MO-FG|Alkamuls GMO 45LG|Arlacel 129|Canamex Glicepol 182|Capmul GMO 50|Dimodan DGMO|Dimodan GMO 90|Dimodan LSQK|Edenor GMO|EINECS 247-038-6|Emalsy MO|Emalsy OL|Emalsy OL 100|Emasol MO|Emasol MO 50|Emcol O|Emerest 2400|Emerest 2421|Emery oleic acid ester 2221|Emrite 6009|Emuldan RYLO-MG 90|Esterol 272|Excel O 95F|Excel O 95N|Excel O 95R|Glycerin monooleate|Glycerine monooleate|Glycerol monoleate|Glycerol oleate|Glycerol, 1-mono (9-octa-decenoate)|Glyceromonooleate|Glyceryl |117628-77-0|125622-45-9|1330-82-1|143519-87-3|148507-38-4|206072-75-5|586953-12-0|66676-57-1|95917-02-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027875
ARPathway2016 ARPathway2016_1054 Glyceryl monooleate 25496-72-4 DTXSID3027875 1.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless Glyceryl monooleate 25496-72-4|Glyceryl monooleate|(Z)-9-Octadecenoic acid monoester with 1,2,3-propanetriol|1-Mono[cis-9-octadecenoyl] -rac-glycerol|1,2,3-Propanetriol mono((Z)-9-octadecenoate)|9-Octadecanoic acid (Z)-monoester with 1,2,3-propanetriol|9-Octadecenoic acid (9Z)-, monoester with 1,2,3-propanetriol|9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol|9-Octadecenoic acid, monoester with 1,2,3-propanetriol, (Z)-|acide oleique, monoester avec glycerol|Acide oleique, monoester avec le glycerol|acido oleico, monoester con glicerol|Adchem GMO|Agnique GMO|Ajax GMO|Aldo MO|Aldo MO-FG|Alkamuls GMO 45LG|Arlacel 129|Canamex Glicepol 182|Capmul GMO 50|Dimodan DGMO|Dimodan GMO 90|Dimodan LSQK|Edenor GMO|EINECS 247-038-6|Emalsy MO|Emalsy OL|Emalsy OL 100|Emasol MO|Emasol MO 50|Emcol O|Emerest 2400|Emerest 2421|Emery oleic acid ester 2221|Emrite 6009|Emuldan RYLO-MG 90|Esterol 272|Excel O 95F|Excel O 95N|Excel O 95R|Glycerin monooleate|Glycerine monooleate|Glycerol monoleate|Glycerol oleate|Glycerol, 1-mono (9-octa-decenoate)|Glyceromonooleate|Glyceryl |117628-77-0|125622-45-9|1330-82-1|143519-87-3|148507-38-4|206072-75-5|586953-12-0|66676-57-1|95917-02-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027875
ARPathway2016 ARPathway2016_1054 Glyceryl monooleate 25496-72-4 DTXSID3027875 1.0 A3 AR Pathway Model, Agonist Call Inactive Unitless Glyceryl monooleate 25496-72-4|Glyceryl monooleate|(Z)-9-Octadecenoic acid monoester with 1,2,3-propanetriol|1-Mono[cis-9-octadecenoyl] -rac-glycerol|1,2,3-Propanetriol mono((Z)-9-octadecenoate)|9-Octadecanoic acid (Z)-monoester with 1,2,3-propanetriol|9-Octadecenoic acid (9Z)-, monoester with 1,2,3-propanetriol|9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol|9-Octadecenoic acid, monoester with 1,2,3-propanetriol, (Z)-|acide oleique, monoester avec glycerol|Acide oleique, monoester avec le glycerol|acido oleico, monoester con glicerol|Adchem GMO|Agnique GMO|Ajax GMO|Aldo MO|Aldo MO-FG|Alkamuls GMO 45LG|Arlacel 129|Canamex Glicepol 182|Capmul GMO 50|Dimodan DGMO|Dimodan GMO 90|Dimodan LSQK|Edenor GMO|EINECS 247-038-6|Emalsy MO|Emalsy OL|Emalsy OL 100|Emasol MO|Emasol MO 50|Emcol O|Emerest 2400|Emerest 2421|Emery oleic acid ester 2221|Emrite 6009|Emuldan RYLO-MG 90|Esterol 272|Excel O 95F|Excel O 95N|Excel O 95R|Glycerin monooleate|Glycerine monooleate|Glycerol monoleate|Glycerol oleate|Glycerol, 1-mono (9-octa-decenoate)|Glyceromonooleate|Glyceryl |117628-77-0|125622-45-9|1330-82-1|143519-87-3|148507-38-4|206072-75-5|586953-12-0|66676-57-1|95917-02-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027875
ARPathway2016 ARPathway2016_1054 Glyceryl monooleate 25496-72-4 DTXSID3027875 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless Glyceryl monooleate 25496-72-4|Glyceryl monooleate|(Z)-9-Octadecenoic acid monoester with 1,2,3-propanetriol|1-Mono[cis-9-octadecenoyl] -rac-glycerol|1,2,3-Propanetriol mono((Z)-9-octadecenoate)|9-Octadecanoic acid (Z)-monoester with 1,2,3-propanetriol|9-Octadecenoic acid (9Z)-, monoester with 1,2,3-propanetriol|9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol|9-Octadecenoic acid, monoester with 1,2,3-propanetriol, (Z)-|acide oleique, monoester avec glycerol|Acide oleique, monoester avec le glycerol|acido oleico, monoester con glicerol|Adchem GMO|Agnique GMO|Ajax GMO|Aldo MO|Aldo MO-FG|Alkamuls GMO 45LG|Arlacel 129|Canamex Glicepol 182|Capmul GMO 50|Dimodan DGMO|Dimodan GMO 90|Dimodan LSQK|Edenor GMO|EINECS 247-038-6|Emalsy MO|Emalsy OL|Emalsy OL 100|Emasol MO|Emasol MO 50|Emcol O|Emerest 2400|Emerest 2421|Emery oleic acid ester 2221|Emrite 6009|Emuldan RYLO-MG 90|Esterol 272|Excel O 95F|Excel O 95N|Excel O 95R|Glycerin monooleate|Glycerine monooleate|Glycerol monoleate|Glycerol oleate|Glycerol, 1-mono (9-octa-decenoate)|Glyceromonooleate|Glyceryl |117628-77-0|125622-45-9|1330-82-1|143519-87-3|148507-38-4|206072-75-5|586953-12-0|66676-57-1|95917-02-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027875
ERPathway2016 ERPathway2016_1405 Glyceryl monooleate 25496-72-4 DTXSID3027875 ER Pathway Model, Agonist Model Score 0 Unitless Glyceryl monooleate 25496-72-4|Glyceryl monooleate|(Z)-9-Octadecenoic acid monoester with 1,2,3-propanetriol|1-Mono[cis-9-octadecenoyl] -rac-glycerol|1,2,3-Propanetriol mono((Z)-9-octadecenoate)|9-Octadecanoic acid (Z)-monoester with 1,2,3-propanetriol|9-Octadecenoic acid (9Z)-, monoester with 1,2,3-propanetriol|9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol|9-Octadecenoic acid, monoester with 1,2,3-propanetriol, (Z)-|acide oleique, monoester avec glycerol|Acide oleique, monoester avec le glycerol|acido oleico, monoester con glicerol|Adchem GMO|Agnique GMO|Ajax GMO|Aldo MO|Aldo MO-FG|Alkamuls GMO 45LG|Arlacel 129|Canamex Glicepol 182|Capmul GMO 50|Dimodan DGMO|Dimodan GMO 90|Dimodan LSQK|Edenor GMO|EINECS 247-038-6|Emalsy MO|Emalsy OL|Emalsy OL 100|Emasol MO|Emasol MO 50|Emcol O|Emerest 2400|Emerest 2421|Emery oleic acid ester 2221|Emrite 6009|Emuldan RYLO-MG 90|Esterol 272|Excel O 95F|Excel O 95N|Excel O 95R|Glycerin monooleate|Glycerine monooleate|Glycerol monoleate|Glycerol oleate|Glycerol, 1-mono (9-octa-decenoate)|Glyceromonooleate|Glyceryl |117628-77-0|125622-45-9|1330-82-1|143519-87-3|148507-38-4|206072-75-5|586953-12-0|66676-57-1|95917-02-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027875
ERPathway2016 ERPathway2016_1405 Glyceryl monooleate 25496-72-4 DTXSID3027875 ER Pathway Model, Antagonist Model Score 0 Unitless Glyceryl monooleate 25496-72-4|Glyceryl monooleate|(Z)-9-Octadecenoic acid monoester with 1,2,3-propanetriol|1-Mono[cis-9-octadecenoyl] -rac-glycerol|1,2,3-Propanetriol mono((Z)-9-octadecenoate)|9-Octadecanoic acid (Z)-monoester with 1,2,3-propanetriol|9-Octadecenoic acid (9Z)-, monoester with 1,2,3-propanetriol|9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol|9-Octadecenoic acid, monoester with 1,2,3-propanetriol, (Z)-|acide oleique, monoester avec glycerol|Acide oleique, monoester avec le glycerol|acido oleico, monoester con glicerol|Adchem GMO|Agnique GMO|Ajax GMO|Aldo MO|Aldo MO-FG|Alkamuls GMO 45LG|Arlacel 129|Canamex Glicepol 182|Capmul GMO 50|Dimodan DGMO|Dimodan GMO 90|Dimodan LSQK|Edenor GMO|EINECS 247-038-6|Emalsy MO|Emalsy OL|Emalsy OL 100|Emasol MO|Emasol MO 50|Emcol O|Emerest 2400|Emerest 2421|Emery oleic acid ester 2221|Emrite 6009|Emuldan RYLO-MG 90|Esterol 272|Excel O 95F|Excel O 95N|Excel O 95R|Glycerin monooleate|Glycerine monooleate|Glycerol monoleate|Glycerol oleate|Glycerol, 1-mono (9-octa-decenoate)|Glyceromonooleate|Glyceryl |117628-77-0|125622-45-9|1330-82-1|143519-87-3|148507-38-4|206072-75-5|586953-12-0|66676-57-1|95917-02-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027875
ERPathway2016 ERPathway2016_1405 Glyceryl monooleate 25496-72-4 DTXSID3027875 ER Pathway Model, Agonist Call Inactive Unitless Glyceryl monooleate 25496-72-4|Glyceryl monooleate|(Z)-9-Octadecenoic acid monoester with 1,2,3-propanetriol|1-Mono[cis-9-octadecenoyl] -rac-glycerol|1,2,3-Propanetriol mono((Z)-9-octadecenoate)|9-Octadecanoic acid (Z)-monoester with 1,2,3-propanetriol|9-Octadecenoic acid (9Z)-, monoester with 1,2,3-propanetriol|9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol|9-Octadecenoic acid, monoester with 1,2,3-propanetriol, (Z)-|acide oleique, monoester avec glycerol|Acide oleique, monoester avec le glycerol|acido oleico, monoester con glicerol|Adchem GMO|Agnique GMO|Ajax GMO|Aldo MO|Aldo MO-FG|Alkamuls GMO 45LG|Arlacel 129|Canamex Glicepol 182|Capmul GMO 50|Dimodan DGMO|Dimodan GMO 90|Dimodan LSQK|Edenor GMO|EINECS 247-038-6|Emalsy MO|Emalsy OL|Emalsy OL 100|Emasol MO|Emasol MO 50|Emcol O|Emerest 2400|Emerest 2421|Emery oleic acid ester 2221|Emrite 6009|Emuldan RYLO-MG 90|Esterol 272|Excel O 95F|Excel O 95N|Excel O 95R|Glycerin monooleate|Glycerine monooleate|Glycerol monoleate|Glycerol oleate|Glycerol, 1-mono (9-octa-decenoate)|Glyceromonooleate|Glyceryl |117628-77-0|125622-45-9|1330-82-1|143519-87-3|148507-38-4|206072-75-5|586953-12-0|66676-57-1|95917-02-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027875
ERPathway2016 ERPathway2016_1405 Glyceryl monooleate 25496-72-4 DTXSID3027875 ER Pathway Model, Antagonist Call Inactive Unitless Glyceryl monooleate 25496-72-4|Glyceryl monooleate|(Z)-9-Octadecenoic acid monoester with 1,2,3-propanetriol|1-Mono[cis-9-octadecenoyl] -rac-glycerol|1,2,3-Propanetriol mono((Z)-9-octadecenoate)|9-Octadecanoic acid (Z)-monoester with 1,2,3-propanetriol|9-Octadecenoic acid (9Z)-, monoester with 1,2,3-propanetriol|9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol|9-Octadecenoic acid, monoester with 1,2,3-propanetriol, (Z)-|acide oleique, monoester avec glycerol|Acide oleique, monoester avec le glycerol|acido oleico, monoester con glicerol|Adchem GMO|Agnique GMO|Ajax GMO|Aldo MO|Aldo MO-FG|Alkamuls GMO 45LG|Arlacel 129|Canamex Glicepol 182|Capmul GMO 50|Dimodan DGMO|Dimodan GMO 90|Dimodan LSQK|Edenor GMO|EINECS 247-038-6|Emalsy MO|Emalsy OL|Emalsy OL 100|Emasol MO|Emasol MO 50|Emcol O|Emerest 2400|Emerest 2421|Emery oleic acid ester 2221|Emrite 6009|Emuldan RYLO-MG 90|Esterol 272|Excel O 95F|Excel O 95N|Excel O 95R|Glycerin monooleate|Glycerine monooleate|Glycerol monoleate|Glycerol oleate|Glycerol, 1-mono (9-octa-decenoate)|Glyceromonooleate|Glyceryl |117628-77-0|125622-45-9|1330-82-1|143519-87-3|148507-38-4|206072-75-5|586953-12-0|66676-57-1|95917-02-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027875
ARPathway2016 ARPathway2016_785 Glyceryl monoricinoleate 1323-38-2 DTXSID3042007 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Glyceryl monoricinoleate 1323-38-2|Glyceryl monoricinoleate|9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-, monoester with1,2,3-propanetriol|9-Octadecenoic acid, 12-hydroxy-, monoester with 1,2,3-propanetriol, (R-(Z))-|EINECS 215-353-8|Ricinoleic acid monoglyceride|UNII-ZUE0CEL42O|8042-05-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042007
ARPathway2016 ARPathway2016_785 Glyceryl monoricinoleate 1323-38-2 DTXSID3042007 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Glyceryl monoricinoleate 1323-38-2|Glyceryl monoricinoleate|9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-, monoester with1,2,3-propanetriol|9-Octadecenoic acid, 12-hydroxy-, monoester with 1,2,3-propanetriol, (R-(Z))-|EINECS 215-353-8|Ricinoleic acid monoglyceride|UNII-ZUE0CEL42O|8042-05-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042007
ARPathway2016 ARPathway2016_785 Glyceryl monoricinoleate 1323-38-2 DTXSID3042007 0.0 AR Pathway Model, Agonist Call Inactive Unitless Glyceryl monoricinoleate 1323-38-2|Glyceryl monoricinoleate|9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-, monoester with1,2,3-propanetriol|9-Octadecenoic acid, 12-hydroxy-, monoester with 1,2,3-propanetriol, (R-(Z))-|EINECS 215-353-8|Ricinoleic acid monoglyceride|UNII-ZUE0CEL42O|8042-05-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042007
ARPathway2016 ARPathway2016_785 Glyceryl monoricinoleate 1323-38-2 DTXSID3042007 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Glyceryl monoricinoleate 1323-38-2|Glyceryl monoricinoleate|9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-, monoester with1,2,3-propanetriol|9-Octadecenoic acid, 12-hydroxy-, monoester with 1,2,3-propanetriol, (R-(Z))-|EINECS 215-353-8|Ricinoleic acid monoglyceride|UNII-ZUE0CEL42O|8042-05-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042007
ERPathway2016 ERPathway2016_679 Glyceryl monoricinoleate 1323-38-2 DTXSID3042007 A17 ER Pathway Model, Agonist Model Score 0 Unitless Glyceryl monoricinoleate 1323-38-2|Glyceryl monoricinoleate|9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-, monoester with1,2,3-propanetriol|9-Octadecenoic acid, 12-hydroxy-, monoester with 1,2,3-propanetriol, (R-(Z))-|EINECS 215-353-8|Ricinoleic acid monoglyceride|UNII-ZUE0CEL42O|8042-05-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042007
ERPathway2016 ERPathway2016_679 Glyceryl monoricinoleate 1323-38-2 DTXSID3042007 A17 ER Pathway Model, Antagonist Model Score 0 Unitless Glyceryl monoricinoleate 1323-38-2|Glyceryl monoricinoleate|9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-, monoester with1,2,3-propanetriol|9-Octadecenoic acid, 12-hydroxy-, monoester with 1,2,3-propanetriol, (R-(Z))-|EINECS 215-353-8|Ricinoleic acid monoglyceride|UNII-ZUE0CEL42O|8042-05-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042007
ERPathway2016 ERPathway2016_679 Glyceryl monoricinoleate 1323-38-2 DTXSID3042007 A17 ER Pathway Model, Agonist Call Inactive Unitless Glyceryl monoricinoleate 1323-38-2|Glyceryl monoricinoleate|9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-, monoester with1,2,3-propanetriol|9-Octadecenoic acid, 12-hydroxy-, monoester with 1,2,3-propanetriol, (R-(Z))-|EINECS 215-353-8|Ricinoleic acid monoglyceride|UNII-ZUE0CEL42O|8042-05-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042007
ERPathway2016 ERPathway2016_679 Glyceryl monoricinoleate 1323-38-2 DTXSID3042007 A17 ER Pathway Model, Antagonist Call Inactive Unitless Glyceryl monoricinoleate 1323-38-2|Glyceryl monoricinoleate|9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-, monoester with1,2,3-propanetriol|9-Octadecenoic acid, 12-hydroxy-, monoester with 1,2,3-propanetriol, (R-(Z))-|EINECS 215-353-8|Ricinoleic acid monoglyceride|UNII-ZUE0CEL42O|8042-05-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042007
ARPathway2016 ARPathway2016_557 Glyceryl stearate 11099-07-3 DTXSID9029304 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Glyceryl stearate 11099-07-3|Glyceryl stearate|acide octadecanoique, ester avec le propanetriol-1,2,3|acido octadecanoico, ester con 1,2,3-propanotriol|Atmul P 40S|Cutina GMS-V|Cutina MD|Dracorin GMS|Dub GMS|EINECS 234-325-6|Emalex GMS-F|Emulgator C|Glycerin stearate|Glycerin stearic acid ester|Glycerol stearic acid ester|Glyceryl stearate|Glyceryl stearates|Kemester 6000|Lasemul 92N40|Lexemul 515|Lexemul 530|Margamuls|Monogrol|Monomuls 90S18|Nikkol MGS-F 40|Octadecanoic acid glycerol ester|Octadecanoic acid, ester with 1,2,3-propanetriol|Octadecanoic acid, ester with 1,2,3-propanetriol, ester with boric acid|Octadecansaure, Ester mit 1,2,3-Propantriol|Pationic 1052|Pationic 1052K|Polynol|Precirol Special WL 2155|Precirol WL 2155|Pristerene 4913|Rikemal S 200|Rikemal S 200P|Rikemal S 95|Safacid 16/18AM|Safacid 16/18MS|Stearate du glycerol|STEARATE, GLYCERYL|STEARIN|Stearine|Stepan GMS S.E|Tegin special|Tegomuls 4100|Tegomuls 90S|Witconol MST|136626-20-5|37219-93-5|37220-83-0|37271-86-6|37318-98-2|39468-00-3|8067-25-2|864063-89-8|902146-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029304
ARPathway2016 ARPathway2016_557 Glyceryl stearate 11099-07-3 DTXSID9029304 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Glyceryl stearate 11099-07-3|Glyceryl stearate|acide octadecanoique, ester avec le propanetriol-1,2,3|acido octadecanoico, ester con 1,2,3-propanotriol|Atmul P 40S|Cutina GMS-V|Cutina MD|Dracorin GMS|Dub GMS|EINECS 234-325-6|Emalex GMS-F|Emulgator C|Glycerin stearate|Glycerin stearic acid ester|Glycerol stearic acid ester|Glyceryl stearate|Glyceryl stearates|Kemester 6000|Lasemul 92N40|Lexemul 515|Lexemul 530|Margamuls|Monogrol|Monomuls 90S18|Nikkol MGS-F 40|Octadecanoic acid glycerol ester|Octadecanoic acid, ester with 1,2,3-propanetriol|Octadecanoic acid, ester with 1,2,3-propanetriol, ester with boric acid|Octadecansaure, Ester mit 1,2,3-Propantriol|Pationic 1052|Pationic 1052K|Polynol|Precirol Special WL 2155|Precirol WL 2155|Pristerene 4913|Rikemal S 200|Rikemal S 200P|Rikemal S 95|Safacid 16/18AM|Safacid 16/18MS|Stearate du glycerol|STEARATE, GLYCERYL|STEARIN|Stearine|Stepan GMS S.E|Tegin special|Tegomuls 4100|Tegomuls 90S|Witconol MST|136626-20-5|37219-93-5|37220-83-0|37271-86-6|37318-98-2|39468-00-3|8067-25-2|864063-89-8|902146-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029304
ARPathway2016 ARPathway2016_557 Glyceryl stearate 11099-07-3 DTXSID9029304 0.0 AR Pathway Model, Agonist Call Inactive Unitless Glyceryl stearate 11099-07-3|Glyceryl stearate|acide octadecanoique, ester avec le propanetriol-1,2,3|acido octadecanoico, ester con 1,2,3-propanotriol|Atmul P 40S|Cutina GMS-V|Cutina MD|Dracorin GMS|Dub GMS|EINECS 234-325-6|Emalex GMS-F|Emulgator C|Glycerin stearate|Glycerin stearic acid ester|Glycerol stearic acid ester|Glyceryl stearate|Glyceryl stearates|Kemester 6000|Lasemul 92N40|Lexemul 515|Lexemul 530|Margamuls|Monogrol|Monomuls 90S18|Nikkol MGS-F 40|Octadecanoic acid glycerol ester|Octadecanoic acid, ester with 1,2,3-propanetriol|Octadecanoic acid, ester with 1,2,3-propanetriol, ester with boric acid|Octadecansaure, Ester mit 1,2,3-Propantriol|Pationic 1052|Pationic 1052K|Polynol|Precirol Special WL 2155|Precirol WL 2155|Pristerene 4913|Rikemal S 200|Rikemal S 200P|Rikemal S 95|Safacid 16/18AM|Safacid 16/18MS|Stearate du glycerol|STEARATE, GLYCERYL|STEARIN|Stearine|Stepan GMS S.E|Tegin special|Tegomuls 4100|Tegomuls 90S|Witconol MST|136626-20-5|37219-93-5|37220-83-0|37271-86-6|37318-98-2|39468-00-3|8067-25-2|864063-89-8|902146-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029304
ARPathway2016 ARPathway2016_557 Glyceryl stearate 11099-07-3 DTXSID9029304 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Glyceryl stearate 11099-07-3|Glyceryl stearate|acide octadecanoique, ester avec le propanetriol-1,2,3|acido octadecanoico, ester con 1,2,3-propanotriol|Atmul P 40S|Cutina GMS-V|Cutina MD|Dracorin GMS|Dub GMS|EINECS 234-325-6|Emalex GMS-F|Emulgator C|Glycerin stearate|Glycerin stearic acid ester|Glycerol stearic acid ester|Glyceryl stearate|Glyceryl stearates|Kemester 6000|Lasemul 92N40|Lexemul 515|Lexemul 530|Margamuls|Monogrol|Monomuls 90S18|Nikkol MGS-F 40|Octadecanoic acid glycerol ester|Octadecanoic acid, ester with 1,2,3-propanetriol|Octadecanoic acid, ester with 1,2,3-propanetriol, ester with boric acid|Octadecansaure, Ester mit 1,2,3-Propantriol|Pationic 1052|Pationic 1052K|Polynol|Precirol Special WL 2155|Precirol WL 2155|Pristerene 4913|Rikemal S 200|Rikemal S 200P|Rikemal S 95|Safacid 16/18AM|Safacid 16/18MS|Stearate du glycerol|STEARATE, GLYCERYL|STEARIN|Stearine|Stepan GMS S.E|Tegin special|Tegomuls 4100|Tegomuls 90S|Witconol MST|136626-20-5|37219-93-5|37220-83-0|37271-86-6|37318-98-2|39468-00-3|8067-25-2|864063-89-8|902146-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029304
ERPathway2016 ERPathway2016_1143 Glyceryl stearate 11099-07-3 DTXSID9029304 ER Pathway Model, Agonist Model Score 0 Unitless Glyceryl stearate 11099-07-3|Glyceryl stearate|acide octadecanoique, ester avec le propanetriol-1,2,3|acido octadecanoico, ester con 1,2,3-propanotriol|Atmul P 40S|Cutina GMS-V|Cutina MD|Dracorin GMS|Dub GMS|EINECS 234-325-6|Emalex GMS-F|Emulgator C|Glycerin stearate|Glycerin stearic acid ester|Glycerol stearic acid ester|Glyceryl stearate|Glyceryl stearates|Kemester 6000|Lasemul 92N40|Lexemul 515|Lexemul 530|Margamuls|Monogrol|Monomuls 90S18|Nikkol MGS-F 40|Octadecanoic acid glycerol ester|Octadecanoic acid, ester with 1,2,3-propanetriol|Octadecanoic acid, ester with 1,2,3-propanetriol, ester with boric acid|Octadecansaure, Ester mit 1,2,3-Propantriol|Pationic 1052|Pationic 1052K|Polynol|Precirol Special WL 2155|Precirol WL 2155|Pristerene 4913|Rikemal S 200|Rikemal S 200P|Rikemal S 95|Safacid 16/18AM|Safacid 16/18MS|Stearate du glycerol|STEARATE, GLYCERYL|STEARIN|Stearine|Stepan GMS S.E|Tegin special|Tegomuls 4100|Tegomuls 90S|Witconol MST|136626-20-5|37219-93-5|37220-83-0|37271-86-6|37318-98-2|39468-00-3|8067-25-2|864063-89-8|902146-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029304
ERPathway2016 ERPathway2016_1143 Glyceryl stearate 11099-07-3 DTXSID9029304 ER Pathway Model, Antagonist Model Score 0 Unitless Glyceryl stearate 11099-07-3|Glyceryl stearate|acide octadecanoique, ester avec le propanetriol-1,2,3|acido octadecanoico, ester con 1,2,3-propanotriol|Atmul P 40S|Cutina GMS-V|Cutina MD|Dracorin GMS|Dub GMS|EINECS 234-325-6|Emalex GMS-F|Emulgator C|Glycerin stearate|Glycerin stearic acid ester|Glycerol stearic acid ester|Glyceryl stearate|Glyceryl stearates|Kemester 6000|Lasemul 92N40|Lexemul 515|Lexemul 530|Margamuls|Monogrol|Monomuls 90S18|Nikkol MGS-F 40|Octadecanoic acid glycerol ester|Octadecanoic acid, ester with 1,2,3-propanetriol|Octadecanoic acid, ester with 1,2,3-propanetriol, ester with boric acid|Octadecansaure, Ester mit 1,2,3-Propantriol|Pationic 1052|Pationic 1052K|Polynol|Precirol Special WL 2155|Precirol WL 2155|Pristerene 4913|Rikemal S 200|Rikemal S 200P|Rikemal S 95|Safacid 16/18AM|Safacid 16/18MS|Stearate du glycerol|STEARATE, GLYCERYL|STEARIN|Stearine|Stepan GMS S.E|Tegin special|Tegomuls 4100|Tegomuls 90S|Witconol MST|136626-20-5|37219-93-5|37220-83-0|37271-86-6|37318-98-2|39468-00-3|8067-25-2|864063-89-8|902146-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029304
ERPathway2016 ERPathway2016_1143 Glyceryl stearate 11099-07-3 DTXSID9029304 ER Pathway Model, Agonist Call Inactive Unitless Glyceryl stearate 11099-07-3|Glyceryl stearate|acide octadecanoique, ester avec le propanetriol-1,2,3|acido octadecanoico, ester con 1,2,3-propanotriol|Atmul P 40S|Cutina GMS-V|Cutina MD|Dracorin GMS|Dub GMS|EINECS 234-325-6|Emalex GMS-F|Emulgator C|Glycerin stearate|Glycerin stearic acid ester|Glycerol stearic acid ester|Glyceryl stearate|Glyceryl stearates|Kemester 6000|Lasemul 92N40|Lexemul 515|Lexemul 530|Margamuls|Monogrol|Monomuls 90S18|Nikkol MGS-F 40|Octadecanoic acid glycerol ester|Octadecanoic acid, ester with 1,2,3-propanetriol|Octadecanoic acid, ester with 1,2,3-propanetriol, ester with boric acid|Octadecansaure, Ester mit 1,2,3-Propantriol|Pationic 1052|Pationic 1052K|Polynol|Precirol Special WL 2155|Precirol WL 2155|Pristerene 4913|Rikemal S 200|Rikemal S 200P|Rikemal S 95|Safacid 16/18AM|Safacid 16/18MS|Stearate du glycerol|STEARATE, GLYCERYL|STEARIN|Stearine|Stepan GMS S.E|Tegin special|Tegomuls 4100|Tegomuls 90S|Witconol MST|136626-20-5|37219-93-5|37220-83-0|37271-86-6|37318-98-2|39468-00-3|8067-25-2|864063-89-8|902146-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029304
ERPathway2016 ERPathway2016_1143 Glyceryl stearate 11099-07-3 DTXSID9029304 ER Pathway Model, Antagonist Call Inactive Unitless Glyceryl stearate 11099-07-3|Glyceryl stearate|acide octadecanoique, ester avec le propanetriol-1,2,3|acido octadecanoico, ester con 1,2,3-propanotriol|Atmul P 40S|Cutina GMS-V|Cutina MD|Dracorin GMS|Dub GMS|EINECS 234-325-6|Emalex GMS-F|Emulgator C|Glycerin stearate|Glycerin stearic acid ester|Glycerol stearic acid ester|Glyceryl stearate|Glyceryl stearates|Kemester 6000|Lasemul 92N40|Lexemul 515|Lexemul 530|Margamuls|Monogrol|Monomuls 90S18|Nikkol MGS-F 40|Octadecanoic acid glycerol ester|Octadecanoic acid, ester with 1,2,3-propanetriol|Octadecanoic acid, ester with 1,2,3-propanetriol, ester with boric acid|Octadecansaure, Ester mit 1,2,3-Propantriol|Pationic 1052|Pationic 1052K|Polynol|Precirol Special WL 2155|Precirol WL 2155|Pristerene 4913|Rikemal S 200|Rikemal S 200P|Rikemal S 95|Safacid 16/18AM|Safacid 16/18MS|Stearate du glycerol|STEARATE, GLYCERYL|STEARIN|Stearine|Stepan GMS S.E|Tegin special|Tegomuls 4100|Tegomuls 90S|Witconol MST|136626-20-5|37219-93-5|37220-83-0|37271-86-6|37318-98-2|39468-00-3|8067-25-2|864063-89-8|902146-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9029304
ARPathway2016 ARPathway2016_1324 Glycidol 556-52-5 DTXSID4020666 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCC1CO1 Glycidol 556-52-5|Glycidol|(.+-.)-2,3-Epoxy-1-propanol|(.+-.)-Glycidol|(RS)-3-hydroxy-1,2-epoxypropane|(RS)-Glycidol|1-Hydroxy-2,3-epoxypropane|1-Propanol, 2,3-epoxy-|1,2-Epoxy-3-hydroxypropane|2-(Hydroxymethyl)oxirane|2-Hydroxymethyloxiran|2-Oxiranemethanol|2,3-epoxipropan-1-ol|2,3-Epoxy-1-propanol|2,3-Epoxypropan-1-ol|2,3-epoxypropane-1-ol|2,3-Epoxypropanol|3-Hydroxy-1,2-epoxypropane|3-Hydroxypropylene oxide|Allyl alcohol oxide|BRN 0383562|dl-Glycidol|EINECS 209-128-3|Epihydrin alcohol|Epiol OH|Epoxypropyl alcohol|Glycide|Glycidyl alcohol|Hydroxymethyl ethylene oxide|Methanol, oxiranyl-|Monoepoxide glycidol|NCI-C55549|NSC 46096|Oxiran-2-ylmethanol|Oxirane methanol|Oxiranemethanol|Oxiranylmethanol|PROPAN-1-OL, 2,3-EPOXY-|Racemic glycidol|UNII-S54CF1DV9A|61915-27-3|98913-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020666 https://doi.org/10.22427/NTP-DATA-DTXSID4020666
ARPathway2016 ARPathway2016_1324 Glycidol 556-52-5 DTXSID4020666 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCC1CO1 Glycidol 556-52-5|Glycidol|(.+-.)-2,3-Epoxy-1-propanol|(.+-.)-Glycidol|(RS)-3-hydroxy-1,2-epoxypropane|(RS)-Glycidol|1-Hydroxy-2,3-epoxypropane|1-Propanol, 2,3-epoxy-|1,2-Epoxy-3-hydroxypropane|2-(Hydroxymethyl)oxirane|2-Hydroxymethyloxiran|2-Oxiranemethanol|2,3-epoxipropan-1-ol|2,3-Epoxy-1-propanol|2,3-Epoxypropan-1-ol|2,3-epoxypropane-1-ol|2,3-Epoxypropanol|3-Hydroxy-1,2-epoxypropane|3-Hydroxypropylene oxide|Allyl alcohol oxide|BRN 0383562|dl-Glycidol|EINECS 209-128-3|Epihydrin alcohol|Epiol OH|Epoxypropyl alcohol|Glycide|Glycidyl alcohol|Hydroxymethyl ethylene oxide|Methanol, oxiranyl-|Monoepoxide glycidol|NCI-C55549|NSC 46096|Oxiran-2-ylmethanol|Oxirane methanol|Oxiranemethanol|Oxiranylmethanol|PROPAN-1-OL, 2,3-EPOXY-|Racemic glycidol|UNII-S54CF1DV9A|61915-27-3|98913-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020666 https://doi.org/10.22427/NTP-DATA-DTXSID4020666
ARPathway2016 ARPathway2016_1324 Glycidol 556-52-5 DTXSID4020666 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCC1CO1 Glycidol 556-52-5|Glycidol|(.+-.)-2,3-Epoxy-1-propanol|(.+-.)-Glycidol|(RS)-3-hydroxy-1,2-epoxypropane|(RS)-Glycidol|1-Hydroxy-2,3-epoxypropane|1-Propanol, 2,3-epoxy-|1,2-Epoxy-3-hydroxypropane|2-(Hydroxymethyl)oxirane|2-Hydroxymethyloxiran|2-Oxiranemethanol|2,3-epoxipropan-1-ol|2,3-Epoxy-1-propanol|2,3-Epoxypropan-1-ol|2,3-epoxypropane-1-ol|2,3-Epoxypropanol|3-Hydroxy-1,2-epoxypropane|3-Hydroxypropylene oxide|Allyl alcohol oxide|BRN 0383562|dl-Glycidol|EINECS 209-128-3|Epihydrin alcohol|Epiol OH|Epoxypropyl alcohol|Glycide|Glycidyl alcohol|Hydroxymethyl ethylene oxide|Methanol, oxiranyl-|Monoepoxide glycidol|NCI-C55549|NSC 46096|Oxiran-2-ylmethanol|Oxirane methanol|Oxiranemethanol|Oxiranylmethanol|PROPAN-1-OL, 2,3-EPOXY-|Racemic glycidol|UNII-S54CF1DV9A|61915-27-3|98913-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020666 https://doi.org/10.22427/NTP-DATA-DTXSID4020666
ARPathway2016 ARPathway2016_1324 Glycidol 556-52-5 DTXSID4020666 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCC1CO1 Glycidol 556-52-5|Glycidol|(.+-.)-2,3-Epoxy-1-propanol|(.+-.)-Glycidol|(RS)-3-hydroxy-1,2-epoxypropane|(RS)-Glycidol|1-Hydroxy-2,3-epoxypropane|1-Propanol, 2,3-epoxy-|1,2-Epoxy-3-hydroxypropane|2-(Hydroxymethyl)oxirane|2-Hydroxymethyloxiran|2-Oxiranemethanol|2,3-epoxipropan-1-ol|2,3-Epoxy-1-propanol|2,3-Epoxypropan-1-ol|2,3-epoxypropane-1-ol|2,3-Epoxypropanol|3-Hydroxy-1,2-epoxypropane|3-Hydroxypropylene oxide|Allyl alcohol oxide|BRN 0383562|dl-Glycidol|EINECS 209-128-3|Epihydrin alcohol|Epiol OH|Epoxypropyl alcohol|Glycide|Glycidyl alcohol|Hydroxymethyl ethylene oxide|Methanol, oxiranyl-|Monoepoxide glycidol|NCI-C55549|NSC 46096|Oxiran-2-ylmethanol|Oxirane methanol|Oxiranemethanol|Oxiranylmethanol|PROPAN-1-OL, 2,3-EPOXY-|Racemic glycidol|UNII-S54CF1DV9A|61915-27-3|98913-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020666 https://doi.org/10.22427/NTP-DATA-DTXSID4020666
ERPathway2016 ERPathway2016_1537 Glycidol 556-52-5 DTXSID4020666 ER Pathway Model, Agonist Model Score 0 Unitless OCC1CO1 Glycidol 556-52-5|Glycidol|(.+-.)-2,3-Epoxy-1-propanol|(.+-.)-Glycidol|(RS)-3-hydroxy-1,2-epoxypropane|(RS)-Glycidol|1-Hydroxy-2,3-epoxypropane|1-Propanol, 2,3-epoxy-|1,2-Epoxy-3-hydroxypropane|2-(Hydroxymethyl)oxirane|2-Hydroxymethyloxiran|2-Oxiranemethanol|2,3-epoxipropan-1-ol|2,3-Epoxy-1-propanol|2,3-Epoxypropan-1-ol|2,3-epoxypropane-1-ol|2,3-Epoxypropanol|3-Hydroxy-1,2-epoxypropane|3-Hydroxypropylene oxide|Allyl alcohol oxide|BRN 0383562|dl-Glycidol|EINECS 209-128-3|Epihydrin alcohol|Epiol OH|Epoxypropyl alcohol|Glycide|Glycidyl alcohol|Hydroxymethyl ethylene oxide|Methanol, oxiranyl-|Monoepoxide glycidol|NCI-C55549|NSC 46096|Oxiran-2-ylmethanol|Oxirane methanol|Oxiranemethanol|Oxiranylmethanol|PROPAN-1-OL, 2,3-EPOXY-|Racemic glycidol|UNII-S54CF1DV9A|61915-27-3|98913-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020666 https://doi.org/10.22427/NTP-DATA-DTXSID4020666
ERPathway2016 ERPathway2016_1537 Glycidol 556-52-5 DTXSID4020666 ER Pathway Model, Antagonist Model Score 0 Unitless OCC1CO1 Glycidol 556-52-5|Glycidol|(.+-.)-2,3-Epoxy-1-propanol|(.+-.)-Glycidol|(RS)-3-hydroxy-1,2-epoxypropane|(RS)-Glycidol|1-Hydroxy-2,3-epoxypropane|1-Propanol, 2,3-epoxy-|1,2-Epoxy-3-hydroxypropane|2-(Hydroxymethyl)oxirane|2-Hydroxymethyloxiran|2-Oxiranemethanol|2,3-epoxipropan-1-ol|2,3-Epoxy-1-propanol|2,3-Epoxypropan-1-ol|2,3-epoxypropane-1-ol|2,3-Epoxypropanol|3-Hydroxy-1,2-epoxypropane|3-Hydroxypropylene oxide|Allyl alcohol oxide|BRN 0383562|dl-Glycidol|EINECS 209-128-3|Epihydrin alcohol|Epiol OH|Epoxypropyl alcohol|Glycide|Glycidyl alcohol|Hydroxymethyl ethylene oxide|Methanol, oxiranyl-|Monoepoxide glycidol|NCI-C55549|NSC 46096|Oxiran-2-ylmethanol|Oxirane methanol|Oxiranemethanol|Oxiranylmethanol|PROPAN-1-OL, 2,3-EPOXY-|Racemic glycidol|UNII-S54CF1DV9A|61915-27-3|98913-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020666 https://doi.org/10.22427/NTP-DATA-DTXSID4020666
ERPathway2016 ERPathway2016_1537 Glycidol 556-52-5 DTXSID4020666 ER Pathway Model, Agonist Call Inactive Unitless OCC1CO1 Glycidol 556-52-5|Glycidol|(.+-.)-2,3-Epoxy-1-propanol|(.+-.)-Glycidol|(RS)-3-hydroxy-1,2-epoxypropane|(RS)-Glycidol|1-Hydroxy-2,3-epoxypropane|1-Propanol, 2,3-epoxy-|1,2-Epoxy-3-hydroxypropane|2-(Hydroxymethyl)oxirane|2-Hydroxymethyloxiran|2-Oxiranemethanol|2,3-epoxipropan-1-ol|2,3-Epoxy-1-propanol|2,3-Epoxypropan-1-ol|2,3-epoxypropane-1-ol|2,3-Epoxypropanol|3-Hydroxy-1,2-epoxypropane|3-Hydroxypropylene oxide|Allyl alcohol oxide|BRN 0383562|dl-Glycidol|EINECS 209-128-3|Epihydrin alcohol|Epiol OH|Epoxypropyl alcohol|Glycide|Glycidyl alcohol|Hydroxymethyl ethylene oxide|Methanol, oxiranyl-|Monoepoxide glycidol|NCI-C55549|NSC 46096|Oxiran-2-ylmethanol|Oxirane methanol|Oxiranemethanol|Oxiranylmethanol|PROPAN-1-OL, 2,3-EPOXY-|Racemic glycidol|UNII-S54CF1DV9A|61915-27-3|98913-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020666 https://doi.org/10.22427/NTP-DATA-DTXSID4020666
ERPathway2016 ERPathway2016_1537 Glycidol 556-52-5 DTXSID4020666 ER Pathway Model, Antagonist Call Inactive Unitless OCC1CO1 Glycidol 556-52-5|Glycidol|(.+-.)-2,3-Epoxy-1-propanol|(.+-.)-Glycidol|(RS)-3-hydroxy-1,2-epoxypropane|(RS)-Glycidol|1-Hydroxy-2,3-epoxypropane|1-Propanol, 2,3-epoxy-|1,2-Epoxy-3-hydroxypropane|2-(Hydroxymethyl)oxirane|2-Hydroxymethyloxiran|2-Oxiranemethanol|2,3-epoxipropan-1-ol|2,3-Epoxy-1-propanol|2,3-Epoxypropan-1-ol|2,3-epoxypropane-1-ol|2,3-Epoxypropanol|3-Hydroxy-1,2-epoxypropane|3-Hydroxypropylene oxide|Allyl alcohol oxide|BRN 0383562|dl-Glycidol|EINECS 209-128-3|Epihydrin alcohol|Epiol OH|Epoxypropyl alcohol|Glycide|Glycidyl alcohol|Hydroxymethyl ethylene oxide|Methanol, oxiranyl-|Monoepoxide glycidol|NCI-C55549|NSC 46096|Oxiran-2-ylmethanol|Oxirane methanol|Oxiranemethanol|Oxiranylmethanol|PROPAN-1-OL, 2,3-EPOXY-|Racemic glycidol|UNII-S54CF1DV9A|61915-27-3|98913-54-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020666 https://doi.org/10.22427/NTP-DATA-DTXSID4020666
ARPathway2016 ARPathway2016_1126 Glycidyl trimethylammonium chloride 3033-77-0 DTXSID1044643 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless [Cl-].C[N+](C)(C)CC1CO1 Glycidyl trimethylammonium chloride 3033-77-0|Glycidyl trimethylammonium chloride|(2,3-Epoxypropyl)trimethylammonium chloride|1-(Trimethylammonio)-2,3-epoxypropane chloride|beta,gamma-Epoxypropyltrimethylammonium chloride|EINECS 221-221-0|Glycidyl-trimethyl-ammonium chloride|Glytac A 100|N-Glycidyl-N,N,N-trimethylammonium chloride|N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride|N,N,N-Trimethyloxiranemethanaminium chloride|NSC 51213|Oxiranemethanaminium, N,N,N-trimethyl-, chloride|Oxiranemethanaminium, N,N,N-trimethyl-, chloride0|Trimethylglycidylammonium chloride|UNII-283XH39M8X|129829-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044643
ARPathway2016 ARPathway2016_1126 Glycidyl trimethylammonium chloride 3033-77-0 DTXSID1044643 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless [Cl-].C[N+](C)(C)CC1CO1 Glycidyl trimethylammonium chloride 3033-77-0|Glycidyl trimethylammonium chloride|(2,3-Epoxypropyl)trimethylammonium chloride|1-(Trimethylammonio)-2,3-epoxypropane chloride|beta,gamma-Epoxypropyltrimethylammonium chloride|EINECS 221-221-0|Glycidyl-trimethyl-ammonium chloride|Glytac A 100|N-Glycidyl-N,N,N-trimethylammonium chloride|N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride|N,N,N-Trimethyloxiranemethanaminium chloride|NSC 51213|Oxiranemethanaminium, N,N,N-trimethyl-, chloride|Oxiranemethanaminium, N,N,N-trimethyl-, chloride0|Trimethylglycidylammonium chloride|UNII-283XH39M8X|129829-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044643
ARPathway2016 ARPathway2016_1126 Glycidyl trimethylammonium chloride 3033-77-0 DTXSID1044643 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless [Cl-].C[N+](C)(C)CC1CO1 Glycidyl trimethylammonium chloride 3033-77-0|Glycidyl trimethylammonium chloride|(2,3-Epoxypropyl)trimethylammonium chloride|1-(Trimethylammonio)-2,3-epoxypropane chloride|beta,gamma-Epoxypropyltrimethylammonium chloride|EINECS 221-221-0|Glycidyl-trimethyl-ammonium chloride|Glytac A 100|N-Glycidyl-N,N,N-trimethylammonium chloride|N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride|N,N,N-Trimethyloxiranemethanaminium chloride|NSC 51213|Oxiranemethanaminium, N,N,N-trimethyl-, chloride|Oxiranemethanaminium, N,N,N-trimethyl-, chloride0|Trimethylglycidylammonium chloride|UNII-283XH39M8X|129829-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044643
ARPathway2016 ARPathway2016_1126 Glycidyl trimethylammonium chloride 3033-77-0 DTXSID1044643 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].C[N+](C)(C)CC1CO1 Glycidyl trimethylammonium chloride 3033-77-0|Glycidyl trimethylammonium chloride|(2,3-Epoxypropyl)trimethylammonium chloride|1-(Trimethylammonio)-2,3-epoxypropane chloride|beta,gamma-Epoxypropyltrimethylammonium chloride|EINECS 221-221-0|Glycidyl-trimethyl-ammonium chloride|Glytac A 100|N-Glycidyl-N,N,N-trimethylammonium chloride|N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride|N,N,N-Trimethyloxiranemethanaminium chloride|NSC 51213|Oxiranemethanaminium, N,N,N-trimethyl-, chloride|Oxiranemethanaminium, N,N,N-trimethyl-, chloride0|Trimethylglycidylammonium chloride|UNII-283XH39M8X|129829-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044643
ERPathway2016 ERPathway2016_1442 Glycidyl trimethylammonium chloride 3033-77-0 DTXSID1044643 ER Pathway Model, Agonist Model Score 0 Unitless [Cl-].C[N+](C)(C)CC1CO1 Glycidyl trimethylammonium chloride 3033-77-0|Glycidyl trimethylammonium chloride|(2,3-Epoxypropyl)trimethylammonium chloride|1-(Trimethylammonio)-2,3-epoxypropane chloride|beta,gamma-Epoxypropyltrimethylammonium chloride|EINECS 221-221-0|Glycidyl-trimethyl-ammonium chloride|Glytac A 100|N-Glycidyl-N,N,N-trimethylammonium chloride|N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride|N,N,N-Trimethyloxiranemethanaminium chloride|NSC 51213|Oxiranemethanaminium, N,N,N-trimethyl-, chloride|Oxiranemethanaminium, N,N,N-trimethyl-, chloride0|Trimethylglycidylammonium chloride|UNII-283XH39M8X|129829-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044643
ERPathway2016 ERPathway2016_1442 Glycidyl trimethylammonium chloride 3033-77-0 DTXSID1044643 ER Pathway Model, Antagonist Model Score 0 Unitless [Cl-].C[N+](C)(C)CC1CO1 Glycidyl trimethylammonium chloride 3033-77-0|Glycidyl trimethylammonium chloride|(2,3-Epoxypropyl)trimethylammonium chloride|1-(Trimethylammonio)-2,3-epoxypropane chloride|beta,gamma-Epoxypropyltrimethylammonium chloride|EINECS 221-221-0|Glycidyl-trimethyl-ammonium chloride|Glytac A 100|N-Glycidyl-N,N,N-trimethylammonium chloride|N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride|N,N,N-Trimethyloxiranemethanaminium chloride|NSC 51213|Oxiranemethanaminium, N,N,N-trimethyl-, chloride|Oxiranemethanaminium, N,N,N-trimethyl-, chloride0|Trimethylglycidylammonium chloride|UNII-283XH39M8X|129829-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044643
ERPathway2016 ERPathway2016_1442 Glycidyl trimethylammonium chloride 3033-77-0 DTXSID1044643 ER Pathway Model, Agonist Call Inactive Unitless [Cl-].C[N+](C)(C)CC1CO1 Glycidyl trimethylammonium chloride 3033-77-0|Glycidyl trimethylammonium chloride|(2,3-Epoxypropyl)trimethylammonium chloride|1-(Trimethylammonio)-2,3-epoxypropane chloride|beta,gamma-Epoxypropyltrimethylammonium chloride|EINECS 221-221-0|Glycidyl-trimethyl-ammonium chloride|Glytac A 100|N-Glycidyl-N,N,N-trimethylammonium chloride|N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride|N,N,N-Trimethyloxiranemethanaminium chloride|NSC 51213|Oxiranemethanaminium, N,N,N-trimethyl-, chloride|Oxiranemethanaminium, N,N,N-trimethyl-, chloride0|Trimethylglycidylammonium chloride|UNII-283XH39M8X|129829-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044643
ERPathway2016 ERPathway2016_1442 Glycidyl trimethylammonium chloride 3033-77-0 DTXSID1044643 ER Pathway Model, Antagonist Call Inactive Unitless [Cl-].C[N+](C)(C)CC1CO1 Glycidyl trimethylammonium chloride 3033-77-0|Glycidyl trimethylammonium chloride|(2,3-Epoxypropyl)trimethylammonium chloride|1-(Trimethylammonio)-2,3-epoxypropane chloride|beta,gamma-Epoxypropyltrimethylammonium chloride|EINECS 221-221-0|Glycidyl-trimethyl-ammonium chloride|Glytac A 100|N-Glycidyl-N,N,N-trimethylammonium chloride|N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride|N,N,N-Trimethyloxiranemethanaminium chloride|NSC 51213|Oxiranemethanaminium, N,N,N-trimethyl-, chloride|Oxiranemethanaminium, N,N,N-trimethyl-, chloride0|Trimethylglycidylammonium chloride|UNII-283XH39M8X|129829-22-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044643
ARPathway2016 ARPathway2016_1582 Glycolic acid 79-14-1 DTXSID0025363 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCC(O)=O Glycolic acid 79-14-1|Glycolic acid|2-Hydroxyacetate|2-hydroxyacetic acid|2-Hydroxyethanoic acid|4-03-00-00571|a-Hydroxyacetate|a-Hydroxyacetic acid|Acetic acid, 2-hydroxy-|Acetic acid, hydroxy-|Acide glycolique|acido glicolico|alpha-Hydroxyacetate|alpha-Hydroxyacetic acid|BRN 1209322|Caswell No. 470|EINECS 201-180-5|EPA Pesticide Chemical Code 000101|Glycocide|Glycolate|Glycollate|glycollic acid|Glykolsaeure|GLYKOLSAEURE 57%IGE LOESUNG|GlyPure|GlyPure 70|HOCH2COOH|Hydroxyacetate|Hydroxyacetic acid|Hydroxyethanoate|Hydroxyethanoic acid|Kyselina glykolova|Kyselina hydroxyoctova|NSC 166|Sodium glycolate|UNII-0WT12SX38S|a-Hydroxyacetic acid|1033720-45-4|1033720-48-7|259744-22-4|702627-33-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025363 https://doi.org/10.22427/NTP-DATA-DTXSID0025363
ARPathway2016 ARPathway2016_1582 Glycolic acid 79-14-1 DTXSID0025363 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCC(O)=O Glycolic acid 79-14-1|Glycolic acid|2-Hydroxyacetate|2-hydroxyacetic acid|2-Hydroxyethanoic acid|4-03-00-00571|a-Hydroxyacetate|a-Hydroxyacetic acid|Acetic acid, 2-hydroxy-|Acetic acid, hydroxy-|Acide glycolique|acido glicolico|alpha-Hydroxyacetate|alpha-Hydroxyacetic acid|BRN 1209322|Caswell No. 470|EINECS 201-180-5|EPA Pesticide Chemical Code 000101|Glycocide|Glycolate|Glycollate|glycollic acid|Glykolsaeure|GLYKOLSAEURE 57%IGE LOESUNG|GlyPure|GlyPure 70|HOCH2COOH|Hydroxyacetate|Hydroxyacetic acid|Hydroxyethanoate|Hydroxyethanoic acid|Kyselina glykolova|Kyselina hydroxyoctova|NSC 166|Sodium glycolate|UNII-0WT12SX38S|a-Hydroxyacetic acid|1033720-45-4|1033720-48-7|259744-22-4|702627-33-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025363 https://doi.org/10.22427/NTP-DATA-DTXSID0025363
ARPathway2016 ARPathway2016_1582 Glycolic acid 79-14-1 DTXSID0025363 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCC(O)=O Glycolic acid 79-14-1|Glycolic acid|2-Hydroxyacetate|2-hydroxyacetic acid|2-Hydroxyethanoic acid|4-03-00-00571|a-Hydroxyacetate|a-Hydroxyacetic acid|Acetic acid, 2-hydroxy-|Acetic acid, hydroxy-|Acide glycolique|acido glicolico|alpha-Hydroxyacetate|alpha-Hydroxyacetic acid|BRN 1209322|Caswell No. 470|EINECS 201-180-5|EPA Pesticide Chemical Code 000101|Glycocide|Glycolate|Glycollate|glycollic acid|Glykolsaeure|GLYKOLSAEURE 57%IGE LOESUNG|GlyPure|GlyPure 70|HOCH2COOH|Hydroxyacetate|Hydroxyacetic acid|Hydroxyethanoate|Hydroxyethanoic acid|Kyselina glykolova|Kyselina hydroxyoctova|NSC 166|Sodium glycolate|UNII-0WT12SX38S|a-Hydroxyacetic acid|1033720-45-4|1033720-48-7|259744-22-4|702627-33-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025363 https://doi.org/10.22427/NTP-DATA-DTXSID0025363
ARPathway2016 ARPathway2016_1582 Glycolic acid 79-14-1 DTXSID0025363 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCC(O)=O Glycolic acid 79-14-1|Glycolic acid|2-Hydroxyacetate|2-hydroxyacetic acid|2-Hydroxyethanoic acid|4-03-00-00571|a-Hydroxyacetate|a-Hydroxyacetic acid|Acetic acid, 2-hydroxy-|Acetic acid, hydroxy-|Acide glycolique|acido glicolico|alpha-Hydroxyacetate|alpha-Hydroxyacetic acid|BRN 1209322|Caswell No. 470|EINECS 201-180-5|EPA Pesticide Chemical Code 000101|Glycocide|Glycolate|Glycollate|glycollic acid|Glykolsaeure|GLYKOLSAEURE 57%IGE LOESUNG|GlyPure|GlyPure 70|HOCH2COOH|Hydroxyacetate|Hydroxyacetic acid|Hydroxyethanoate|Hydroxyethanoic acid|Kyselina glykolova|Kyselina hydroxyoctova|NSC 166|Sodium glycolate|UNII-0WT12SX38S|a-Hydroxyacetic acid|1033720-45-4|1033720-48-7|259744-22-4|702627-33-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025363 https://doi.org/10.22427/NTP-DATA-DTXSID0025363
ERPathway2016 ERPathway2016_1670 Glycolic acid 79-14-1 DTXSID0025363 ER Pathway Model, Agonist Model Score 0 Unitless OCC(O)=O Glycolic acid 79-14-1|Glycolic acid|2-Hydroxyacetate|2-hydroxyacetic acid|2-Hydroxyethanoic acid|4-03-00-00571|a-Hydroxyacetate|a-Hydroxyacetic acid|Acetic acid, 2-hydroxy-|Acetic acid, hydroxy-|Acide glycolique|acido glicolico|alpha-Hydroxyacetate|alpha-Hydroxyacetic acid|BRN 1209322|Caswell No. 470|EINECS 201-180-5|EPA Pesticide Chemical Code 000101|Glycocide|Glycolate|Glycollate|glycollic acid|Glykolsaeure|GLYKOLSAEURE 57%IGE LOESUNG|GlyPure|GlyPure 70|HOCH2COOH|Hydroxyacetate|Hydroxyacetic acid|Hydroxyethanoate|Hydroxyethanoic acid|Kyselina glykolova|Kyselina hydroxyoctova|NSC 166|Sodium glycolate|UNII-0WT12SX38S|a-Hydroxyacetic acid|1033720-45-4|1033720-48-7|259744-22-4|702627-33-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025363 https://doi.org/10.22427/NTP-DATA-DTXSID0025363
ERPathway2016 ERPathway2016_1670 Glycolic acid 79-14-1 DTXSID0025363 ER Pathway Model, Antagonist Model Score 0 Unitless OCC(O)=O Glycolic acid 79-14-1|Glycolic acid|2-Hydroxyacetate|2-hydroxyacetic acid|2-Hydroxyethanoic acid|4-03-00-00571|a-Hydroxyacetate|a-Hydroxyacetic acid|Acetic acid, 2-hydroxy-|Acetic acid, hydroxy-|Acide glycolique|acido glicolico|alpha-Hydroxyacetate|alpha-Hydroxyacetic acid|BRN 1209322|Caswell No. 470|EINECS 201-180-5|EPA Pesticide Chemical Code 000101|Glycocide|Glycolate|Glycollate|glycollic acid|Glykolsaeure|GLYKOLSAEURE 57%IGE LOESUNG|GlyPure|GlyPure 70|HOCH2COOH|Hydroxyacetate|Hydroxyacetic acid|Hydroxyethanoate|Hydroxyethanoic acid|Kyselina glykolova|Kyselina hydroxyoctova|NSC 166|Sodium glycolate|UNII-0WT12SX38S|a-Hydroxyacetic acid|1033720-45-4|1033720-48-7|259744-22-4|702627-33-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025363 https://doi.org/10.22427/NTP-DATA-DTXSID0025363
ERPathway2016 ERPathway2016_1670 Glycolic acid 79-14-1 DTXSID0025363 ER Pathway Model, Agonist Call Inactive Unitless OCC(O)=O Glycolic acid 79-14-1|Glycolic acid|2-Hydroxyacetate|2-hydroxyacetic acid|2-Hydroxyethanoic acid|4-03-00-00571|a-Hydroxyacetate|a-Hydroxyacetic acid|Acetic acid, 2-hydroxy-|Acetic acid, hydroxy-|Acide glycolique|acido glicolico|alpha-Hydroxyacetate|alpha-Hydroxyacetic acid|BRN 1209322|Caswell No. 470|EINECS 201-180-5|EPA Pesticide Chemical Code 000101|Glycocide|Glycolate|Glycollate|glycollic acid|Glykolsaeure|GLYKOLSAEURE 57%IGE LOESUNG|GlyPure|GlyPure 70|HOCH2COOH|Hydroxyacetate|Hydroxyacetic acid|Hydroxyethanoate|Hydroxyethanoic acid|Kyselina glykolova|Kyselina hydroxyoctova|NSC 166|Sodium glycolate|UNII-0WT12SX38S|a-Hydroxyacetic acid|1033720-45-4|1033720-48-7|259744-22-4|702627-33-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025363 https://doi.org/10.22427/NTP-DATA-DTXSID0025363
ERPathway2016 ERPathway2016_1670 Glycolic acid 79-14-1 DTXSID0025363 ER Pathway Model, Antagonist Call Inactive Unitless OCC(O)=O Glycolic acid 79-14-1|Glycolic acid|2-Hydroxyacetate|2-hydroxyacetic acid|2-Hydroxyethanoic acid|4-03-00-00571|a-Hydroxyacetate|a-Hydroxyacetic acid|Acetic acid, 2-hydroxy-|Acetic acid, hydroxy-|Acide glycolique|acido glicolico|alpha-Hydroxyacetate|alpha-Hydroxyacetic acid|BRN 1209322|Caswell No. 470|EINECS 201-180-5|EPA Pesticide Chemical Code 000101|Glycocide|Glycolate|Glycollate|glycollic acid|Glykolsaeure|GLYKOLSAEURE 57%IGE LOESUNG|GlyPure|GlyPure 70|HOCH2COOH|Hydroxyacetate|Hydroxyacetic acid|Hydroxyethanoate|Hydroxyethanoic acid|Kyselina glykolova|Kyselina hydroxyoctova|NSC 166|Sodium glycolate|UNII-0WT12SX38S|a-Hydroxyacetic acid|1033720-45-4|1033720-48-7|259744-22-4|702627-33-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025363 https://doi.org/10.22427/NTP-DATA-DTXSID0025363
ARPathway2016 ARPathway2016_130 Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3 DTXSID2036588 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 9.76833885769341 uM CCCCCCCCCC1=CC=C(OCCO)C=C1 |c:17,t:9,11,lp:13:2,16:2,Sg:n:15,14,13::ht| Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3|Glycols, polyethylene, mono(p-nonylphenyl) ether|1,10,5-NONYLPHENOL-ETHYLENE OXIDE CONDENSATE|4-Nonylphenol decaglycol ether|4-Nonylphenol polyethoxylate|4-Nonylphenol, ethoxylated|Advantage 24|Akyporox NP 150|alpha-(p-Nonylphenyl)-omega-hydroxypoly(oxyethylene)|Amway All Purpose Spray Adjuvant|Amway APSA 80|Conceptrol|Cremophor NP 10|Cremophor NP 14|Decaethylene glycol mono(p-nonylphenyl) ether|Decaethylene glycol p-nonylphenyl ether|Egyptol|Emulsogen ELN|Encare oval|Ethoxylated p-nonyl phenol|Findet 9Q21.5|Glycols, polyethylene, mono(p-nonylphenyl) ether|Gynol II|Hyoxyd X 100|Hyoxyd X 200|Hyoxyd X 400|Iconol NP 100|Imbetin N 7A|Intercept|K-Y Plus|Koromex|Liponox NCY|Monopol NP 1013|Monopol NP 1060|Neutronyx 611|Nonoxynol|Nonoxynol 10|Nonoxynol 100|Nonoxynol 12|Nonoxynol 13|Nonoxynol 14|Nonoxynol 15|Nonoxynol 30|Nonoxynol 6|Nonoxynol 8.5|Nonoxynol 9|NONOXYNOL-9|Nonoxynols|p-Nonylphenol decaethylene glycol ether|p-Nonylphenol polyethylene glycol ether|p-Nonylphenol-polyethylene glycol adduct|p-Nonylphenyl polyoxyethylene ether|PEG p-nonylphenyl ether|Phenol|100777-03-5|102735-76-2|113595-38-3|117989-54-5|120038-12-2|124401-72-5|12612-63-4|131160-29-7|1338788-01-4|135229-74-2|190386-13-1|195065-75-9|204842-55-7|226924-41-0|27942-26-3|28776-15-0|29319-48-0|34149-89-8|37330-04-4|374934-72-2|39042-04-1|52440-21-8|52440-22-9|55247-80-8|56214-26-7|58339-76-7|68858-84-4|69154-14-9|70025-66-0|78009-08-2|86243-62-1|86727-29-9|9002-95-3|96827-50-8|96827-63-3|99550-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036588
ARPathway2016 ARPathway2016_130 Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3 DTXSID2036588 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 6.77618774046926 uM CCCCCCCCCC1=CC=C(OCCO)C=C1 |c:17,t:9,11,lp:13:2,16:2,Sg:n:15,14,13::ht| Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3|Glycols, polyethylene, mono(p-nonylphenyl) ether|1,10,5-NONYLPHENOL-ETHYLENE OXIDE CONDENSATE|4-Nonylphenol decaglycol ether|4-Nonylphenol polyethoxylate|4-Nonylphenol, ethoxylated|Advantage 24|Akyporox NP 150|alpha-(p-Nonylphenyl)-omega-hydroxypoly(oxyethylene)|Amway All Purpose Spray Adjuvant|Amway APSA 80|Conceptrol|Cremophor NP 10|Cremophor NP 14|Decaethylene glycol mono(p-nonylphenyl) ether|Decaethylene glycol p-nonylphenyl ether|Egyptol|Emulsogen ELN|Encare oval|Ethoxylated p-nonyl phenol|Findet 9Q21.5|Glycols, polyethylene, mono(p-nonylphenyl) ether|Gynol II|Hyoxyd X 100|Hyoxyd X 200|Hyoxyd X 400|Iconol NP 100|Imbetin N 7A|Intercept|K-Y Plus|Koromex|Liponox NCY|Monopol NP 1013|Monopol NP 1060|Neutronyx 611|Nonoxynol|Nonoxynol 10|Nonoxynol 100|Nonoxynol 12|Nonoxynol 13|Nonoxynol 14|Nonoxynol 15|Nonoxynol 30|Nonoxynol 6|Nonoxynol 8.5|Nonoxynol 9|NONOXYNOL-9|Nonoxynols|p-Nonylphenol decaethylene glycol ether|p-Nonylphenol polyethylene glycol ether|p-Nonylphenol-polyethylene glycol adduct|p-Nonylphenyl polyoxyethylene ether|PEG p-nonylphenyl ether|Phenol|100777-03-5|102735-76-2|113595-38-3|117989-54-5|120038-12-2|124401-72-5|12612-63-4|131160-29-7|1338788-01-4|135229-74-2|190386-13-1|195065-75-9|204842-55-7|226924-41-0|27942-26-3|28776-15-0|29319-48-0|34149-89-8|37330-04-4|374934-72-2|39042-04-1|52440-21-8|52440-22-9|55247-80-8|56214-26-7|58339-76-7|68858-84-4|69154-14-9|70025-66-0|78009-08-2|86243-62-1|86727-29-9|9002-95-3|96827-50-8|96827-63-3|99550-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036588
ARPathway2016 ARPathway2016_130 Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3 DTXSID2036588 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.195 Unitless CCCCCCCCCC1=CC=C(OCCO)C=C1 |c:17,t:9,11,lp:13:2,16:2,Sg:n:15,14,13::ht| Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3|Glycols, polyethylene, mono(p-nonylphenyl) ether|1,10,5-NONYLPHENOL-ETHYLENE OXIDE CONDENSATE|4-Nonylphenol decaglycol ether|4-Nonylphenol polyethoxylate|4-Nonylphenol, ethoxylated|Advantage 24|Akyporox NP 150|alpha-(p-Nonylphenyl)-omega-hydroxypoly(oxyethylene)|Amway All Purpose Spray Adjuvant|Amway APSA 80|Conceptrol|Cremophor NP 10|Cremophor NP 14|Decaethylene glycol mono(p-nonylphenyl) ether|Decaethylene glycol p-nonylphenyl ether|Egyptol|Emulsogen ELN|Encare oval|Ethoxylated p-nonyl phenol|Findet 9Q21.5|Glycols, polyethylene, mono(p-nonylphenyl) ether|Gynol II|Hyoxyd X 100|Hyoxyd X 200|Hyoxyd X 400|Iconol NP 100|Imbetin N 7A|Intercept|K-Y Plus|Koromex|Liponox NCY|Monopol NP 1013|Monopol NP 1060|Neutronyx 611|Nonoxynol|Nonoxynol 10|Nonoxynol 100|Nonoxynol 12|Nonoxynol 13|Nonoxynol 14|Nonoxynol 15|Nonoxynol 30|Nonoxynol 6|Nonoxynol 8.5|Nonoxynol 9|NONOXYNOL-9|Nonoxynols|p-Nonylphenol decaethylene glycol ether|p-Nonylphenol polyethylene glycol ether|p-Nonylphenol-polyethylene glycol adduct|p-Nonylphenyl polyoxyethylene ether|PEG p-nonylphenyl ether|Phenol|100777-03-5|102735-76-2|113595-38-3|117989-54-5|120038-12-2|124401-72-5|12612-63-4|131160-29-7|1338788-01-4|135229-74-2|190386-13-1|195065-75-9|204842-55-7|226924-41-0|27942-26-3|28776-15-0|29319-48-0|34149-89-8|37330-04-4|374934-72-2|39042-04-1|52440-21-8|52440-22-9|55247-80-8|56214-26-7|58339-76-7|68858-84-4|69154-14-9|70025-66-0|78009-08-2|86243-62-1|86727-29-9|9002-95-3|96827-50-8|96827-63-3|99550-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036588
ARPathway2016 ARPathway2016_130 Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3 DTXSID2036588 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCC1=CC=C(OCCO)C=C1 |c:17,t:9,11,lp:13:2,16:2,Sg:n:15,14,13::ht| Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3|Glycols, polyethylene, mono(p-nonylphenyl) ether|1,10,5-NONYLPHENOL-ETHYLENE OXIDE CONDENSATE|4-Nonylphenol decaglycol ether|4-Nonylphenol polyethoxylate|4-Nonylphenol, ethoxylated|Advantage 24|Akyporox NP 150|alpha-(p-Nonylphenyl)-omega-hydroxypoly(oxyethylene)|Amway All Purpose Spray Adjuvant|Amway APSA 80|Conceptrol|Cremophor NP 10|Cremophor NP 14|Decaethylene glycol mono(p-nonylphenyl) ether|Decaethylene glycol p-nonylphenyl ether|Egyptol|Emulsogen ELN|Encare oval|Ethoxylated p-nonyl phenol|Findet 9Q21.5|Glycols, polyethylene, mono(p-nonylphenyl) ether|Gynol II|Hyoxyd X 100|Hyoxyd X 200|Hyoxyd X 400|Iconol NP 100|Imbetin N 7A|Intercept|K-Y Plus|Koromex|Liponox NCY|Monopol NP 1013|Monopol NP 1060|Neutronyx 611|Nonoxynol|Nonoxynol 10|Nonoxynol 100|Nonoxynol 12|Nonoxynol 13|Nonoxynol 14|Nonoxynol 15|Nonoxynol 30|Nonoxynol 6|Nonoxynol 8.5|Nonoxynol 9|NONOXYNOL-9|Nonoxynols|p-Nonylphenol decaethylene glycol ether|p-Nonylphenol polyethylene glycol ether|p-Nonylphenol-polyethylene glycol adduct|p-Nonylphenyl polyoxyethylene ether|PEG p-nonylphenyl ether|Phenol|100777-03-5|102735-76-2|113595-38-3|117989-54-5|120038-12-2|124401-72-5|12612-63-4|131160-29-7|1338788-01-4|135229-74-2|190386-13-1|195065-75-9|204842-55-7|226924-41-0|27942-26-3|28776-15-0|29319-48-0|34149-89-8|37330-04-4|374934-72-2|39042-04-1|52440-21-8|52440-22-9|55247-80-8|56214-26-7|58339-76-7|68858-84-4|69154-14-9|70025-66-0|78009-08-2|86243-62-1|86727-29-9|9002-95-3|96827-50-8|96827-63-3|99550-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036588
ARPathway2016 ARPathway2016_130 Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3 DTXSID2036588 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCCCCCCC1=CC=C(OCCO)C=C1 |c:17,t:9,11,lp:13:2,16:2,Sg:n:15,14,13::ht| Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3|Glycols, polyethylene, mono(p-nonylphenyl) ether|1,10,5-NONYLPHENOL-ETHYLENE OXIDE CONDENSATE|4-Nonylphenol decaglycol ether|4-Nonylphenol polyethoxylate|4-Nonylphenol, ethoxylated|Advantage 24|Akyporox NP 150|alpha-(p-Nonylphenyl)-omega-hydroxypoly(oxyethylene)|Amway All Purpose Spray Adjuvant|Amway APSA 80|Conceptrol|Cremophor NP 10|Cremophor NP 14|Decaethylene glycol mono(p-nonylphenyl) ether|Decaethylene glycol p-nonylphenyl ether|Egyptol|Emulsogen ELN|Encare oval|Ethoxylated p-nonyl phenol|Findet 9Q21.5|Glycols, polyethylene, mono(p-nonylphenyl) ether|Gynol II|Hyoxyd X 100|Hyoxyd X 200|Hyoxyd X 400|Iconol NP 100|Imbetin N 7A|Intercept|K-Y Plus|Koromex|Liponox NCY|Monopol NP 1013|Monopol NP 1060|Neutronyx 611|Nonoxynol|Nonoxynol 10|Nonoxynol 100|Nonoxynol 12|Nonoxynol 13|Nonoxynol 14|Nonoxynol 15|Nonoxynol 30|Nonoxynol 6|Nonoxynol 8.5|Nonoxynol 9|NONOXYNOL-9|Nonoxynols|p-Nonylphenol decaethylene glycol ether|p-Nonylphenol polyethylene glycol ether|p-Nonylphenol-polyethylene glycol adduct|p-Nonylphenyl polyoxyethylene ether|PEG p-nonylphenyl ether|Phenol|100777-03-5|102735-76-2|113595-38-3|117989-54-5|120038-12-2|124401-72-5|12612-63-4|131160-29-7|1338788-01-4|135229-74-2|190386-13-1|195065-75-9|204842-55-7|226924-41-0|27942-26-3|28776-15-0|29319-48-0|34149-89-8|37330-04-4|374934-72-2|39042-04-1|52440-21-8|52440-22-9|55247-80-8|56214-26-7|58339-76-7|68858-84-4|69154-14-9|70025-66-0|78009-08-2|86243-62-1|86727-29-9|9002-95-3|96827-50-8|96827-63-3|99550-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036588
ARPathway2016 ARPathway2016_130 Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3 DTXSID2036588 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCC1=CC=C(OCCO)C=C1 |c:17,t:9,11,lp:13:2,16:2,Sg:n:15,14,13::ht| Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3|Glycols, polyethylene, mono(p-nonylphenyl) ether|1,10,5-NONYLPHENOL-ETHYLENE OXIDE CONDENSATE|4-Nonylphenol decaglycol ether|4-Nonylphenol polyethoxylate|4-Nonylphenol, ethoxylated|Advantage 24|Akyporox NP 150|alpha-(p-Nonylphenyl)-omega-hydroxypoly(oxyethylene)|Amway All Purpose Spray Adjuvant|Amway APSA 80|Conceptrol|Cremophor NP 10|Cremophor NP 14|Decaethylene glycol mono(p-nonylphenyl) ether|Decaethylene glycol p-nonylphenyl ether|Egyptol|Emulsogen ELN|Encare oval|Ethoxylated p-nonyl phenol|Findet 9Q21.5|Glycols, polyethylene, mono(p-nonylphenyl) ether|Gynol II|Hyoxyd X 100|Hyoxyd X 200|Hyoxyd X 400|Iconol NP 100|Imbetin N 7A|Intercept|K-Y Plus|Koromex|Liponox NCY|Monopol NP 1013|Monopol NP 1060|Neutronyx 611|Nonoxynol|Nonoxynol 10|Nonoxynol 100|Nonoxynol 12|Nonoxynol 13|Nonoxynol 14|Nonoxynol 15|Nonoxynol 30|Nonoxynol 6|Nonoxynol 8.5|Nonoxynol 9|NONOXYNOL-9|Nonoxynols|p-Nonylphenol decaethylene glycol ether|p-Nonylphenol polyethylene glycol ether|p-Nonylphenol-polyethylene glycol adduct|p-Nonylphenyl polyoxyethylene ether|PEG p-nonylphenyl ether|Phenol|100777-03-5|102735-76-2|113595-38-3|117989-54-5|120038-12-2|124401-72-5|12612-63-4|131160-29-7|1338788-01-4|135229-74-2|190386-13-1|195065-75-9|204842-55-7|226924-41-0|27942-26-3|28776-15-0|29319-48-0|34149-89-8|37330-04-4|374934-72-2|39042-04-1|52440-21-8|52440-22-9|55247-80-8|56214-26-7|58339-76-7|68858-84-4|69154-14-9|70025-66-0|78009-08-2|86243-62-1|86727-29-9|9002-95-3|96827-50-8|96827-63-3|99550-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036588
ERPathway2016 ERPathway2016_1 Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3 DTXSID2036588 R8 ER Pathway Model, Agonist AC50 5.36890544400368 uM CCCCCCCCCC1=CC=C(OCCO)C=C1 |c:17,t:9,11,lp:13:2,16:2,Sg:n:15,14,13::ht| Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3|Glycols, polyethylene, mono(p-nonylphenyl) ether|1,10,5-NONYLPHENOL-ETHYLENE OXIDE CONDENSATE|4-Nonylphenol decaglycol ether|4-Nonylphenol polyethoxylate|4-Nonylphenol, ethoxylated|Advantage 24|Akyporox NP 150|alpha-(p-Nonylphenyl)-omega-hydroxypoly(oxyethylene)|Amway All Purpose Spray Adjuvant|Amway APSA 80|Conceptrol|Cremophor NP 10|Cremophor NP 14|Decaethylene glycol mono(p-nonylphenyl) ether|Decaethylene glycol p-nonylphenyl ether|Egyptol|Emulsogen ELN|Encare oval|Ethoxylated p-nonyl phenol|Findet 9Q21.5|Glycols, polyethylene, mono(p-nonylphenyl) ether|Gynol II|Hyoxyd X 100|Hyoxyd X 200|Hyoxyd X 400|Iconol NP 100|Imbetin N 7A|Intercept|K-Y Plus|Koromex|Liponox NCY|Monopol NP 1013|Monopol NP 1060|Neutronyx 611|Nonoxynol|Nonoxynol 10|Nonoxynol 100|Nonoxynol 12|Nonoxynol 13|Nonoxynol 14|Nonoxynol 15|Nonoxynol 30|Nonoxynol 6|Nonoxynol 8.5|Nonoxynol 9|NONOXYNOL-9|Nonoxynols|p-Nonylphenol decaethylene glycol ether|p-Nonylphenol polyethylene glycol ether|p-Nonylphenol-polyethylene glycol adduct|p-Nonylphenyl polyoxyethylene ether|PEG p-nonylphenyl ether|Phenol|100777-03-5|102735-76-2|113595-38-3|117989-54-5|120038-12-2|124401-72-5|12612-63-4|131160-29-7|1338788-01-4|135229-74-2|190386-13-1|195065-75-9|204842-55-7|226924-41-0|27942-26-3|28776-15-0|29319-48-0|34149-89-8|37330-04-4|374934-72-2|39042-04-1|52440-21-8|52440-22-9|55247-80-8|56214-26-7|58339-76-7|68858-84-4|69154-14-9|70025-66-0|78009-08-2|86243-62-1|86727-29-9|9002-95-3|96827-50-8|96827-63-3|99550-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036588
ERPathway2016 ERPathway2016_1 Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3 DTXSID2036588 R8 ER Pathway Model, Agonist ACC 4.54308370171784 uM CCCCCCCCCC1=CC=C(OCCO)C=C1 |c:17,t:9,11,lp:13:2,16:2,Sg:n:15,14,13::ht| Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3|Glycols, polyethylene, mono(p-nonylphenyl) ether|1,10,5-NONYLPHENOL-ETHYLENE OXIDE CONDENSATE|4-Nonylphenol decaglycol ether|4-Nonylphenol polyethoxylate|4-Nonylphenol, ethoxylated|Advantage 24|Akyporox NP 150|alpha-(p-Nonylphenyl)-omega-hydroxypoly(oxyethylene)|Amway All Purpose Spray Adjuvant|Amway APSA 80|Conceptrol|Cremophor NP 10|Cremophor NP 14|Decaethylene glycol mono(p-nonylphenyl) ether|Decaethylene glycol p-nonylphenyl ether|Egyptol|Emulsogen ELN|Encare oval|Ethoxylated p-nonyl phenol|Findet 9Q21.5|Glycols, polyethylene, mono(p-nonylphenyl) ether|Gynol II|Hyoxyd X 100|Hyoxyd X 200|Hyoxyd X 400|Iconol NP 100|Imbetin N 7A|Intercept|K-Y Plus|Koromex|Liponox NCY|Monopol NP 1013|Monopol NP 1060|Neutronyx 611|Nonoxynol|Nonoxynol 10|Nonoxynol 100|Nonoxynol 12|Nonoxynol 13|Nonoxynol 14|Nonoxynol 15|Nonoxynol 30|Nonoxynol 6|Nonoxynol 8.5|Nonoxynol 9|NONOXYNOL-9|Nonoxynols|p-Nonylphenol decaethylene glycol ether|p-Nonylphenol polyethylene glycol ether|p-Nonylphenol-polyethylene glycol adduct|p-Nonylphenyl polyoxyethylene ether|PEG p-nonylphenyl ether|Phenol|100777-03-5|102735-76-2|113595-38-3|117989-54-5|120038-12-2|124401-72-5|12612-63-4|131160-29-7|1338788-01-4|135229-74-2|190386-13-1|195065-75-9|204842-55-7|226924-41-0|27942-26-3|28776-15-0|29319-48-0|34149-89-8|37330-04-4|374934-72-2|39042-04-1|52440-21-8|52440-22-9|55247-80-8|56214-26-7|58339-76-7|68858-84-4|69154-14-9|70025-66-0|78009-08-2|86243-62-1|86727-29-9|9002-95-3|96827-50-8|96827-63-3|99550-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036588
ERPathway2016 ERPathway2016_1 Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3 DTXSID2036588 R8 ER Pathway Model, Agonist Model Score 0.0406 Unitless CCCCCCCCCC1=CC=C(OCCO)C=C1 |c:17,t:9,11,lp:13:2,16:2,Sg:n:15,14,13::ht| Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3|Glycols, polyethylene, mono(p-nonylphenyl) ether|1,10,5-NONYLPHENOL-ETHYLENE OXIDE CONDENSATE|4-Nonylphenol decaglycol ether|4-Nonylphenol polyethoxylate|4-Nonylphenol, ethoxylated|Advantage 24|Akyporox NP 150|alpha-(p-Nonylphenyl)-omega-hydroxypoly(oxyethylene)|Amway All Purpose Spray Adjuvant|Amway APSA 80|Conceptrol|Cremophor NP 10|Cremophor NP 14|Decaethylene glycol mono(p-nonylphenyl) ether|Decaethylene glycol p-nonylphenyl ether|Egyptol|Emulsogen ELN|Encare oval|Ethoxylated p-nonyl phenol|Findet 9Q21.5|Glycols, polyethylene, mono(p-nonylphenyl) ether|Gynol II|Hyoxyd X 100|Hyoxyd X 200|Hyoxyd X 400|Iconol NP 100|Imbetin N 7A|Intercept|K-Y Plus|Koromex|Liponox NCY|Monopol NP 1013|Monopol NP 1060|Neutronyx 611|Nonoxynol|Nonoxynol 10|Nonoxynol 100|Nonoxynol 12|Nonoxynol 13|Nonoxynol 14|Nonoxynol 15|Nonoxynol 30|Nonoxynol 6|Nonoxynol 8.5|Nonoxynol 9|NONOXYNOL-9|Nonoxynols|p-Nonylphenol decaethylene glycol ether|p-Nonylphenol polyethylene glycol ether|p-Nonylphenol-polyethylene glycol adduct|p-Nonylphenyl polyoxyethylene ether|PEG p-nonylphenyl ether|Phenol|100777-03-5|102735-76-2|113595-38-3|117989-54-5|120038-12-2|124401-72-5|12612-63-4|131160-29-7|1338788-01-4|135229-74-2|190386-13-1|195065-75-9|204842-55-7|226924-41-0|27942-26-3|28776-15-0|29319-48-0|34149-89-8|37330-04-4|374934-72-2|39042-04-1|52440-21-8|52440-22-9|55247-80-8|56214-26-7|58339-76-7|68858-84-4|69154-14-9|70025-66-0|78009-08-2|86243-62-1|86727-29-9|9002-95-3|96827-50-8|96827-63-3|99550-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036588
ERPathway2016 ERPathway2016_1 Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3 DTXSID2036588 R8 ER Pathway Model, Antagonist Model Score 0.0575 Unitless CCCCCCCCCC1=CC=C(OCCO)C=C1 |c:17,t:9,11,lp:13:2,16:2,Sg:n:15,14,13::ht| Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3|Glycols, polyethylene, mono(p-nonylphenyl) ether|1,10,5-NONYLPHENOL-ETHYLENE OXIDE CONDENSATE|4-Nonylphenol decaglycol ether|4-Nonylphenol polyethoxylate|4-Nonylphenol, ethoxylated|Advantage 24|Akyporox NP 150|alpha-(p-Nonylphenyl)-omega-hydroxypoly(oxyethylene)|Amway All Purpose Spray Adjuvant|Amway APSA 80|Conceptrol|Cremophor NP 10|Cremophor NP 14|Decaethylene glycol mono(p-nonylphenyl) ether|Decaethylene glycol p-nonylphenyl ether|Egyptol|Emulsogen ELN|Encare oval|Ethoxylated p-nonyl phenol|Findet 9Q21.5|Glycols, polyethylene, mono(p-nonylphenyl) ether|Gynol II|Hyoxyd X 100|Hyoxyd X 200|Hyoxyd X 400|Iconol NP 100|Imbetin N 7A|Intercept|K-Y Plus|Koromex|Liponox NCY|Monopol NP 1013|Monopol NP 1060|Neutronyx 611|Nonoxynol|Nonoxynol 10|Nonoxynol 100|Nonoxynol 12|Nonoxynol 13|Nonoxynol 14|Nonoxynol 15|Nonoxynol 30|Nonoxynol 6|Nonoxynol 8.5|Nonoxynol 9|NONOXYNOL-9|Nonoxynols|p-Nonylphenol decaethylene glycol ether|p-Nonylphenol polyethylene glycol ether|p-Nonylphenol-polyethylene glycol adduct|p-Nonylphenyl polyoxyethylene ether|PEG p-nonylphenyl ether|Phenol|100777-03-5|102735-76-2|113595-38-3|117989-54-5|120038-12-2|124401-72-5|12612-63-4|131160-29-7|1338788-01-4|135229-74-2|190386-13-1|195065-75-9|204842-55-7|226924-41-0|27942-26-3|28776-15-0|29319-48-0|34149-89-8|37330-04-4|374934-72-2|39042-04-1|52440-21-8|52440-22-9|55247-80-8|56214-26-7|58339-76-7|68858-84-4|69154-14-9|70025-66-0|78009-08-2|86243-62-1|86727-29-9|9002-95-3|96827-50-8|96827-63-3|99550-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036588
ERPathway2016 ERPathway2016_1 Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3 DTXSID2036588 R8 ER Pathway Model, Agonist Call Active Unitless CCCCCCCCCC1=CC=C(OCCO)C=C1 |c:17,t:9,11,lp:13:2,16:2,Sg:n:15,14,13::ht| Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3|Glycols, polyethylene, mono(p-nonylphenyl) ether|1,10,5-NONYLPHENOL-ETHYLENE OXIDE CONDENSATE|4-Nonylphenol decaglycol ether|4-Nonylphenol polyethoxylate|4-Nonylphenol, ethoxylated|Advantage 24|Akyporox NP 150|alpha-(p-Nonylphenyl)-omega-hydroxypoly(oxyethylene)|Amway All Purpose Spray Adjuvant|Amway APSA 80|Conceptrol|Cremophor NP 10|Cremophor NP 14|Decaethylene glycol mono(p-nonylphenyl) ether|Decaethylene glycol p-nonylphenyl ether|Egyptol|Emulsogen ELN|Encare oval|Ethoxylated p-nonyl phenol|Findet 9Q21.5|Glycols, polyethylene, mono(p-nonylphenyl) ether|Gynol II|Hyoxyd X 100|Hyoxyd X 200|Hyoxyd X 400|Iconol NP 100|Imbetin N 7A|Intercept|K-Y Plus|Koromex|Liponox NCY|Monopol NP 1013|Monopol NP 1060|Neutronyx 611|Nonoxynol|Nonoxynol 10|Nonoxynol 100|Nonoxynol 12|Nonoxynol 13|Nonoxynol 14|Nonoxynol 15|Nonoxynol 30|Nonoxynol 6|Nonoxynol 8.5|Nonoxynol 9|NONOXYNOL-9|Nonoxynols|p-Nonylphenol decaethylene glycol ether|p-Nonylphenol polyethylene glycol ether|p-Nonylphenol-polyethylene glycol adduct|p-Nonylphenyl polyoxyethylene ether|PEG p-nonylphenyl ether|Phenol|100777-03-5|102735-76-2|113595-38-3|117989-54-5|120038-12-2|124401-72-5|12612-63-4|131160-29-7|1338788-01-4|135229-74-2|190386-13-1|195065-75-9|204842-55-7|226924-41-0|27942-26-3|28776-15-0|29319-48-0|34149-89-8|37330-04-4|374934-72-2|39042-04-1|52440-21-8|52440-22-9|55247-80-8|56214-26-7|58339-76-7|68858-84-4|69154-14-9|70025-66-0|78009-08-2|86243-62-1|86727-29-9|9002-95-3|96827-50-8|96827-63-3|99550-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036588
ERPathway2016 ERPathway2016_1 Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3 DTXSID2036588 R8 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCC1=CC=C(OCCO)C=C1 |c:17,t:9,11,lp:13:2,16:2,Sg:n:15,14,13::ht| Glycols, polyethylene, mono(p-nonylphenyl) ether 26027-38-3|Glycols, polyethylene, mono(p-nonylphenyl) ether|1,10,5-NONYLPHENOL-ETHYLENE OXIDE CONDENSATE|4-Nonylphenol decaglycol ether|4-Nonylphenol polyethoxylate|4-Nonylphenol, ethoxylated|Advantage 24|Akyporox NP 150|alpha-(p-Nonylphenyl)-omega-hydroxypoly(oxyethylene)|Amway All Purpose Spray Adjuvant|Amway APSA 80|Conceptrol|Cremophor NP 10|Cremophor NP 14|Decaethylene glycol mono(p-nonylphenyl) ether|Decaethylene glycol p-nonylphenyl ether|Egyptol|Emulsogen ELN|Encare oval|Ethoxylated p-nonyl phenol|Findet 9Q21.5|Glycols, polyethylene, mono(p-nonylphenyl) ether|Gynol II|Hyoxyd X 100|Hyoxyd X 200|Hyoxyd X 400|Iconol NP 100|Imbetin N 7A|Intercept|K-Y Plus|Koromex|Liponox NCY|Monopol NP 1013|Monopol NP 1060|Neutronyx 611|Nonoxynol|Nonoxynol 10|Nonoxynol 100|Nonoxynol 12|Nonoxynol 13|Nonoxynol 14|Nonoxynol 15|Nonoxynol 30|Nonoxynol 6|Nonoxynol 8.5|Nonoxynol 9|NONOXYNOL-9|Nonoxynols|p-Nonylphenol decaethylene glycol ether|p-Nonylphenol polyethylene glycol ether|p-Nonylphenol-polyethylene glycol adduct|p-Nonylphenyl polyoxyethylene ether|PEG p-nonylphenyl ether|Phenol|100777-03-5|102735-76-2|113595-38-3|117989-54-5|120038-12-2|124401-72-5|12612-63-4|131160-29-7|1338788-01-4|135229-74-2|190386-13-1|195065-75-9|204842-55-7|226924-41-0|27942-26-3|28776-15-0|29319-48-0|34149-89-8|37330-04-4|374934-72-2|39042-04-1|52440-21-8|52440-22-9|55247-80-8|56214-26-7|58339-76-7|68858-84-4|69154-14-9|70025-66-0|78009-08-2|86243-62-1|86727-29-9|9002-95-3|96827-50-8|96827-63-3|99550-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036588
ARPathway2016 ARPathway2016_1238 Glycoluril 496-46-8 DTXSID6031380 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C1NC2NC(=O)NC2N1 Glycoluril 496-46-8|Glycoluril|1,3,3a,4,6,6a-Hexahydroimidazo[4,5-d]imidazole-2,5-dione|207-821-5|Acetylene carbamide|Acetylenediurea|Acetylenediureine|Acetyleneurea|Diurea glyoxalate|EC No.: 207-821-5|EINECS 207-821-5|Glyoxalbiuret|Glyoxaldiureine|Glyoxaldiurene|Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-|NSC 2765|Perhydroimidazo(4,5-d)imidazole-2,5-dione|Tetrahydroimidaz(d)imidazole-2,5(1H,3H)-dione|Tetrahydroimidazo[4,5-d]imidazole-2,5-dione|UNII-U9H2W4OS13 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6031380 https://doi.org/10.22427/NTP-DATA-DTXSID6031380
ARPathway2016 ARPathway2016_1238 Glycoluril 496-46-8 DTXSID6031380 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C1NC2NC(=O)NC2N1 Glycoluril 496-46-8|Glycoluril|1,3,3a,4,6,6a-Hexahydroimidazo[4,5-d]imidazole-2,5-dione|207-821-5|Acetylene carbamide|Acetylenediurea|Acetylenediureine|Acetyleneurea|Diurea glyoxalate|EC No.: 207-821-5|EINECS 207-821-5|Glyoxalbiuret|Glyoxaldiureine|Glyoxaldiurene|Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-|NSC 2765|Perhydroimidazo(4,5-d)imidazole-2,5-dione|Tetrahydroimidaz(d)imidazole-2,5(1H,3H)-dione|Tetrahydroimidazo[4,5-d]imidazole-2,5-dione|UNII-U9H2W4OS13 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6031380 https://doi.org/10.22427/NTP-DATA-DTXSID6031380
ARPathway2016 ARPathway2016_1238 Glycoluril 496-46-8 DTXSID6031380 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C1NC2NC(=O)NC2N1 Glycoluril 496-46-8|Glycoluril|1,3,3a,4,6,6a-Hexahydroimidazo[4,5-d]imidazole-2,5-dione|207-821-5|Acetylene carbamide|Acetylenediurea|Acetylenediureine|Acetyleneurea|Diurea glyoxalate|EC No.: 207-821-5|EINECS 207-821-5|Glyoxalbiuret|Glyoxaldiureine|Glyoxaldiurene|Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-|NSC 2765|Perhydroimidazo(4,5-d)imidazole-2,5-dione|Tetrahydroimidaz(d)imidazole-2,5(1H,3H)-dione|Tetrahydroimidazo[4,5-d]imidazole-2,5-dione|UNII-U9H2W4OS13 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6031380 https://doi.org/10.22427/NTP-DATA-DTXSID6031380
ARPathway2016 ARPathway2016_1238 Glycoluril 496-46-8 DTXSID6031380 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C1NC2NC(=O)NC2N1 Glycoluril 496-46-8|Glycoluril|1,3,3a,4,6,6a-Hexahydroimidazo[4,5-d]imidazole-2,5-dione|207-821-5|Acetylene carbamide|Acetylenediurea|Acetylenediureine|Acetyleneurea|Diurea glyoxalate|EC No.: 207-821-5|EINECS 207-821-5|Glyoxalbiuret|Glyoxaldiureine|Glyoxaldiurene|Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-|NSC 2765|Perhydroimidazo(4,5-d)imidazole-2,5-dione|Tetrahydroimidaz(d)imidazole-2,5(1H,3H)-dione|Tetrahydroimidazo[4,5-d]imidazole-2,5-dione|UNII-U9H2W4OS13 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6031380 https://doi.org/10.22427/NTP-DATA-DTXSID6031380
ERPathway2016 ERPathway2016_9 Glycoluril 496-46-8 DTXSID6031380 ER Pathway Model, Agonist AC50 15.0816252653586 uM O=C1NC2NC(=O)NC2N1 Glycoluril 496-46-8|Glycoluril|1,3,3a,4,6,6a-Hexahydroimidazo[4,5-d]imidazole-2,5-dione|207-821-5|Acetylene carbamide|Acetylenediurea|Acetylenediureine|Acetyleneurea|Diurea glyoxalate|EC No.: 207-821-5|EINECS 207-821-5|Glyoxalbiuret|Glyoxaldiureine|Glyoxaldiurene|Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-|NSC 2765|Perhydroimidazo(4,5-d)imidazole-2,5-dione|Tetrahydroimidaz(d)imidazole-2,5(1H,3H)-dione|Tetrahydroimidazo[4,5-d]imidazole-2,5-dione|UNII-U9H2W4OS13 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6031380 https://doi.org/10.22427/NTP-DATA-DTXSID6031380
ERPathway2016 ERPathway2016_9 Glycoluril 496-46-8 DTXSID6031380 ER Pathway Model, Agonist ACC 6.74552707474431 uM O=C1NC2NC(=O)NC2N1 Glycoluril 496-46-8|Glycoluril|1,3,3a,4,6,6a-Hexahydroimidazo[4,5-d]imidazole-2,5-dione|207-821-5|Acetylene carbamide|Acetylenediurea|Acetylenediureine|Acetyleneurea|Diurea glyoxalate|EC No.: 207-821-5|EINECS 207-821-5|Glyoxalbiuret|Glyoxaldiureine|Glyoxaldiurene|Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-|NSC 2765|Perhydroimidazo(4,5-d)imidazole-2,5-dione|Tetrahydroimidaz(d)imidazole-2,5(1H,3H)-dione|Tetrahydroimidazo[4,5-d]imidazole-2,5-dione|UNII-U9H2W4OS13 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6031380 https://doi.org/10.22427/NTP-DATA-DTXSID6031380
ERPathway2016 ERPathway2016_9 Glycoluril 496-46-8 DTXSID6031380 ER Pathway Model, Agonist Model Score 0.0207 Unitless O=C1NC2NC(=O)NC2N1 Glycoluril 496-46-8|Glycoluril|1,3,3a,4,6,6a-Hexahydroimidazo[4,5-d]imidazole-2,5-dione|207-821-5|Acetylene carbamide|Acetylenediurea|Acetylenediureine|Acetyleneurea|Diurea glyoxalate|EC No.: 207-821-5|EINECS 207-821-5|Glyoxalbiuret|Glyoxaldiureine|Glyoxaldiurene|Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-|NSC 2765|Perhydroimidazo(4,5-d)imidazole-2,5-dione|Tetrahydroimidaz(d)imidazole-2,5(1H,3H)-dione|Tetrahydroimidazo[4,5-d]imidazole-2,5-dione|UNII-U9H2W4OS13 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6031380 https://doi.org/10.22427/NTP-DATA-DTXSID6031380
ERPathway2016 ERPathway2016_9 Glycoluril 496-46-8 DTXSID6031380 ER Pathway Model, Antagonist Model Score 0.0618 Unitless O=C1NC2NC(=O)NC2N1 Glycoluril 496-46-8|Glycoluril|1,3,3a,4,6,6a-Hexahydroimidazo[4,5-d]imidazole-2,5-dione|207-821-5|Acetylene carbamide|Acetylenediurea|Acetylenediureine|Acetyleneurea|Diurea glyoxalate|EC No.: 207-821-5|EINECS 207-821-5|Glyoxalbiuret|Glyoxaldiureine|Glyoxaldiurene|Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-|NSC 2765|Perhydroimidazo(4,5-d)imidazole-2,5-dione|Tetrahydroimidaz(d)imidazole-2,5(1H,3H)-dione|Tetrahydroimidazo[4,5-d]imidazole-2,5-dione|UNII-U9H2W4OS13 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6031380 https://doi.org/10.22427/NTP-DATA-DTXSID6031380
ERPathway2016 ERPathway2016_9 Glycoluril 496-46-8 DTXSID6031380 ER Pathway Model, Agonist Call Active Unitless O=C1NC2NC(=O)NC2N1 Glycoluril 496-46-8|Glycoluril|1,3,3a,4,6,6a-Hexahydroimidazo[4,5-d]imidazole-2,5-dione|207-821-5|Acetylene carbamide|Acetylenediurea|Acetylenediureine|Acetyleneurea|Diurea glyoxalate|EC No.: 207-821-5|EINECS 207-821-5|Glyoxalbiuret|Glyoxaldiureine|Glyoxaldiurene|Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-|NSC 2765|Perhydroimidazo(4,5-d)imidazole-2,5-dione|Tetrahydroimidaz(d)imidazole-2,5(1H,3H)-dione|Tetrahydroimidazo[4,5-d]imidazole-2,5-dione|UNII-U9H2W4OS13 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6031380 https://doi.org/10.22427/NTP-DATA-DTXSID6031380
ERPathway2016 ERPathway2016_9 Glycoluril 496-46-8 DTXSID6031380 ER Pathway Model, Antagonist Call Inactive Unitless O=C1NC2NC(=O)NC2N1 Glycoluril 496-46-8|Glycoluril|1,3,3a,4,6,6a-Hexahydroimidazo[4,5-d]imidazole-2,5-dione|207-821-5|Acetylene carbamide|Acetylenediurea|Acetylenediureine|Acetyleneurea|Diurea glyoxalate|EC No.: 207-821-5|EINECS 207-821-5|Glyoxalbiuret|Glyoxaldiureine|Glyoxaldiurene|Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-|NSC 2765|Perhydroimidazo(4,5-d)imidazole-2,5-dione|Tetrahydroimidaz(d)imidazole-2,5(1H,3H)-dione|Tetrahydroimidazo[4,5-d]imidazole-2,5-dione|UNII-U9H2W4OS13 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6031380 https://doi.org/10.22427/NTP-DATA-DTXSID6031380
ARPathway2016 ARPathway2016_1847 Grinstad Soft-N-Safe NOCAS_47394 DTXSID3047394 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Grinstad Soft-N-Safe NOCAS_47394|Grinstad Soft-N-Safe|Fully acetylated glycerol monoester on 12-Hydroxystearic acid (85%); Fully acetylated glycerol monostearate represents (10%) https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047394
ARPathway2016 ARPathway2016_1847 Grinstad Soft-N-Safe NOCAS_47394 DTXSID3047394 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Grinstad Soft-N-Safe NOCAS_47394|Grinstad Soft-N-Safe|Fully acetylated glycerol monoester on 12-Hydroxystearic acid (85%); Fully acetylated glycerol monostearate represents (10%) https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047394
ARPathway2016 ARPathway2016_1847 Grinstad Soft-N-Safe NOCAS_47394 DTXSID3047394 0.0 AR Pathway Model, Agonist Call Inactive Unitless Grinstad Soft-N-Safe NOCAS_47394|Grinstad Soft-N-Safe|Fully acetylated glycerol monoester on 12-Hydroxystearic acid (85%); Fully acetylated glycerol monostearate represents (10%) https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047394
ARPathway2016 ARPathway2016_1847 Grinstad Soft-N-Safe NOCAS_47394 DTXSID3047394 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Grinstad Soft-N-Safe NOCAS_47394|Grinstad Soft-N-Safe|Fully acetylated glycerol monoester on 12-Hydroxystearic acid (85%); Fully acetylated glycerol monostearate represents (10%) https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047394
ARPathway2016 ARPathway2016_328 GSK163929B NOCAS_47311 DTXSID6047311 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 24.137431 uM CNS(=O)(=O)C1=C(F)C=C(Cl)C(=C1)C(=O)N1CCC(CCN2C3CCC2CC(C3)N2C(C)=NC3=C2C=CC=C3)(CC1)C1=CC(F)=CC=C1 GSK163929B NOCAS_47311|GSK163929B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047311
ARPathway2016 ARPathway2016_328 GSK163929B NOCAS_47311 DTXSID6047311 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 28.56392786 uM CNS(=O)(=O)C1=C(F)C=C(Cl)C(=C1)C(=O)N1CCC(CCN2C3CCC2CC(C3)N2C(C)=NC3=C2C=CC=C3)(CC1)C1=CC(F)=CC=C1 GSK163929B NOCAS_47311|GSK163929B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047311
ARPathway2016 ARPathway2016_328 GSK163929B NOCAS_47311 DTXSID6047311 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.269 Unitless CNS(=O)(=O)C1=C(F)C=C(Cl)C(=C1)C(=O)N1CCC(CCN2C3CCC2CC(C3)N2C(C)=NC3=C2C=CC=C3)(CC1)C1=CC(F)=CC=C1 GSK163929B NOCAS_47311|GSK163929B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047311
ARPathway2016 ARPathway2016_328 GSK163929B NOCAS_47311 DTXSID6047311 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CNS(=O)(=O)C1=C(F)C=C(Cl)C(=C1)C(=O)N1CCC(CCN2C3CCC2CC(C3)N2C(C)=NC3=C2C=CC=C3)(CC1)C1=CC(F)=CC=C1 GSK163929B NOCAS_47311|GSK163929B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047311
ARPathway2016 ARPathway2016_328 GSK163929B NOCAS_47311 DTXSID6047311 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CNS(=O)(=O)C1=C(F)C=C(Cl)C(=C1)C(=O)N1CCC(CCN2C3CCC2CC(C3)N2C(C)=NC3=C2C=CC=C3)(CC1)C1=CC(F)=CC=C1 GSK163929B NOCAS_47311|GSK163929B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047311
ARPathway2016 ARPathway2016_328 GSK163929B NOCAS_47311 DTXSID6047311 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CNS(=O)(=O)C1=C(F)C=C(Cl)C(=C1)C(=O)N1CCC(CCN2C3CCC2CC(C3)N2C(C)=NC3=C2C=CC=C3)(CC1)C1=CC(F)=CC=C1 GSK163929B NOCAS_47311|GSK163929B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047311
ERPathway2016 ERPathway2016_577 GSK163929B NOCAS_47311 DTXSID6047311 ER Pathway Model, Agonist Model Score 0 Unitless CNS(=O)(=O)C1=C(F)C=C(Cl)C(=C1)C(=O)N1CCC(CCN2C3CCC2CC(C3)N2C(C)=NC3=C2C=CC=C3)(CC1)C1=CC(F)=CC=C1 GSK163929B NOCAS_47311|GSK163929B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047311
ERPathway2016 ERPathway2016_577 GSK163929B NOCAS_47311 DTXSID6047311 ER Pathway Model, Antagonist Model Score 0 Unitless CNS(=O)(=O)C1=C(F)C=C(Cl)C(=C1)C(=O)N1CCC(CCN2C3CCC2CC(C3)N2C(C)=NC3=C2C=CC=C3)(CC1)C1=CC(F)=CC=C1 GSK163929B NOCAS_47311|GSK163929B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047311
ERPathway2016 ERPathway2016_577 GSK163929B NOCAS_47311 DTXSID6047311 ER Pathway Model, Agonist Call Inactive Unitless CNS(=O)(=O)C1=C(F)C=C(Cl)C(=C1)C(=O)N1CCC(CCN2C3CCC2CC(C3)N2C(C)=NC3=C2C=CC=C3)(CC1)C1=CC(F)=CC=C1 GSK163929B NOCAS_47311|GSK163929B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047311
ERPathway2016 ERPathway2016_577 GSK163929B NOCAS_47311 DTXSID6047311 ER Pathway Model, Antagonist Call Inactive Unitless CNS(=O)(=O)C1=C(F)C=C(Cl)C(=C1)C(=O)N1CCC(CCN2C3CCC2CC(C3)N2C(C)=NC3=C2C=CC=C3)(CC1)C1=CC(F)=CC=C1 GSK163929B NOCAS_47311|GSK163929B https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047311
ARPathway2016 ARPathway2016_387 GSK232420A 864283-48-7 DTXSID1047312 2.0 Agonist AR Pathway Model, Antagonist ACC 0.002362051 uM NC(=O)CN(CC(F)(F)F)C1=CC(=C(C=C1)C#N)C(F)(F)F GSK232420A 864283-48-7|GSK232420A https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047312
ARPathway2016 ARPathway2016_387 GSK232420A 864283-48-7 DTXSID1047312 2.0 Agonist AR Pathway Model, Antagonist AC50 0.0854670394870106 uM NC(=O)CN(CC(F)(F)F)C1=CC(=C(C=C1)C#N)C(F)(F)F GSK232420A 864283-48-7|GSK232420A https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047312
ARPathway2016 ARPathway2016_387 GSK232420A 864283-48-7 DTXSID1047312 2.0 Agonist AR Pathway Model, Antagonist Model Score 0.0188 Unitless NC(=O)CN(CC(F)(F)F)C1=CC(=C(C=C1)C#N)C(F)(F)F GSK232420A 864283-48-7|GSK232420A https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047312
ARPathway2016 ARPathway2016_387 GSK232420A 864283-48-7 DTXSID1047312 2.0 Agonist AR Pathway Model, Agonist Model Score 1.33 Unitless NC(=O)CN(CC(F)(F)F)C1=CC(=C(C=C1)C#N)C(F)(F)F GSK232420A 864283-48-7|GSK232420A https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047312
ARPathway2016 ARPathway2016_387 GSK232420A 864283-48-7 DTXSID1047312 2.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless NC(=O)CN(CC(F)(F)F)C1=CC(=C(C=C1)C#N)C(F)(F)F GSK232420A 864283-48-7|GSK232420A https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047312
ARPathway2016 ARPathway2016_387 GSK232420A 864283-48-7 DTXSID1047312 2.0 Agonist AR Pathway Model, Antagonist Call Active Unitless NC(=O)CN(CC(F)(F)F)C1=CC(=C(C=C1)C#N)C(F)(F)F GSK232420A 864283-48-7|GSK232420A https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047312
ERPathway2016 ERPathway2016_1710 GSK232420A 864283-48-7 DTXSID1047312 ER Pathway Model, Agonist Model Score 0 Unitless NC(=O)CN(CC(F)(F)F)C1=CC(=C(C=C1)C#N)C(F)(F)F GSK232420A 864283-48-7|GSK232420A https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047312
ERPathway2016 ERPathway2016_1710 GSK232420A 864283-48-7 DTXSID1047312 ER Pathway Model, Antagonist Model Score 0 Unitless NC(=O)CN(CC(F)(F)F)C1=CC(=C(C=C1)C#N)C(F)(F)F GSK232420A 864283-48-7|GSK232420A https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047312
ERPathway2016 ERPathway2016_1710 GSK232420A 864283-48-7 DTXSID1047312 ER Pathway Model, Agonist Call Inactive Unitless NC(=O)CN(CC(F)(F)F)C1=CC(=C(C=C1)C#N)C(F)(F)F GSK232420A 864283-48-7|GSK232420A https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047312
ERPathway2016 ERPathway2016_1710 GSK232420A 864283-48-7 DTXSID1047312 ER Pathway Model, Antagonist Call Inactive Unitless NC(=O)CN(CC(F)(F)F)C1=CC(=C(C=C1)C#N)C(F)(F)F GSK232420A 864283-48-7|GSK232420A https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047312
ARPathway2016 ARPathway2016_1073 GW473178E methyl benzene sulphonic acid 263553-33-9 DTXSID6047313 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C=C1)S(O)(=O)=O.CCN(C(C)C)C(=O)C1=CC(OC[C@H](C)NC2=CC=NC=C2)=CC(C)=C1 GW473178E methyl benzene sulphonic acid 263553-33-9|GW473178E methyl benzene sulphonic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047313
ARPathway2016 ARPathway2016_1073 GW473178E methyl benzene sulphonic acid 263553-33-9 DTXSID6047313 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C=C1)S(O)(=O)=O.CCN(C(C)C)C(=O)C1=CC(OC[C@H](C)NC2=CC=NC=C2)=CC(C)=C1 GW473178E methyl benzene sulphonic acid 263553-33-9|GW473178E methyl benzene sulphonic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047313
ARPathway2016 ARPathway2016_1073 GW473178E methyl benzene sulphonic acid 263553-33-9 DTXSID6047313 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C=C1)S(O)(=O)=O.CCN(C(C)C)C(=O)C1=CC(OC[C@H](C)NC2=CC=NC=C2)=CC(C)=C1 GW473178E methyl benzene sulphonic acid 263553-33-9|GW473178E methyl benzene sulphonic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047313
ARPathway2016 ARPathway2016_1073 GW473178E methyl benzene sulphonic acid 263553-33-9 DTXSID6047313 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C=C1)S(O)(=O)=O.CCN(C(C)C)C(=O)C1=CC(OC[C@H](C)NC2=CC=NC=C2)=CC(C)=C1 GW473178E methyl benzene sulphonic acid 263553-33-9|GW473178E methyl benzene sulphonic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047313
ERPathway2016 ERPathway2016_1413 GW473178E methyl benzene sulphonic acid 263553-33-9 DTXSID6047313 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C=C1)S(O)(=O)=O.CCN(C(C)C)C(=O)C1=CC(OC[C@H](C)NC2=CC=NC=C2)=CC(C)=C1 GW473178E methyl benzene sulphonic acid 263553-33-9|GW473178E methyl benzene sulphonic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047313
ERPathway2016 ERPathway2016_1413 GW473178E methyl benzene sulphonic acid 263553-33-9 DTXSID6047313 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C=C1)S(O)(=O)=O.CCN(C(C)C)C(=O)C1=CC(OC[C@H](C)NC2=CC=NC=C2)=CC(C)=C1 GW473178E methyl benzene sulphonic acid 263553-33-9|GW473178E methyl benzene sulphonic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047313
ERPathway2016 ERPathway2016_1413 GW473178E methyl benzene sulphonic acid 263553-33-9 DTXSID6047313 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C=C1)S(O)(=O)=O.CCN(C(C)C)C(=O)C1=CC(OC[C@H](C)NC2=CC=NC=C2)=CC(C)=C1 GW473178E methyl benzene sulphonic acid 263553-33-9|GW473178E methyl benzene sulphonic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047313
ERPathway2016 ERPathway2016_1413 GW473178E methyl benzene sulphonic acid 263553-33-9 DTXSID6047313 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C=C1)S(O)(=O)=O.CCN(C(C)C)C(=O)C1=CC(OC[C@H](C)NC2=CC=NC=C2)=CC(C)=C1 GW473178E methyl benzene sulphonic acid 263553-33-9|GW473178E methyl benzene sulphonic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047313
ARPathway2016 ARPathway2016_599 Halofenozide 112226-61-6 DTXSID4032619 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)N(NC(=O)C1=CC=C(Cl)C=C1)C(=O)C1=CC=CC=C1 Halofenozide 112226-61-6|Halofenozide|4-chlorobenzoic acid 2-benzoyl-2-(1,1-dimethylethyl)hydrazide|Benzoic acid N-tert-butyl-N-(4-chlorobenzoyl)hydrazide|Benzoic acid, 4-chloro-, 2-benzoyl-2-(1,1-dimethylethyl)hydrazide|CL 290,816|Mach-2|RH 0345|RH-0345|RH-70345|UNII-C81K20PELV|468062-58-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032619
ARPathway2016 ARPathway2016_599 Halofenozide 112226-61-6 DTXSID4032619 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)N(NC(=O)C1=CC=C(Cl)C=C1)C(=O)C1=CC=CC=C1 Halofenozide 112226-61-6|Halofenozide|4-chlorobenzoic acid 2-benzoyl-2-(1,1-dimethylethyl)hydrazide|Benzoic acid N-tert-butyl-N-(4-chlorobenzoyl)hydrazide|Benzoic acid, 4-chloro-, 2-benzoyl-2-(1,1-dimethylethyl)hydrazide|CL 290,816|Mach-2|RH 0345|RH-0345|RH-70345|UNII-C81K20PELV|468062-58-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032619
ARPathway2016 ARPathway2016_599 Halofenozide 112226-61-6 DTXSID4032619 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)N(NC(=O)C1=CC=C(Cl)C=C1)C(=O)C1=CC=CC=C1 Halofenozide 112226-61-6|Halofenozide|4-chlorobenzoic acid 2-benzoyl-2-(1,1-dimethylethyl)hydrazide|Benzoic acid N-tert-butyl-N-(4-chlorobenzoyl)hydrazide|Benzoic acid, 4-chloro-, 2-benzoyl-2-(1,1-dimethylethyl)hydrazide|CL 290,816|Mach-2|RH 0345|RH-0345|RH-70345|UNII-C81K20PELV|468062-58-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032619
ARPathway2016 ARPathway2016_599 Halofenozide 112226-61-6 DTXSID4032619 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)N(NC(=O)C1=CC=C(Cl)C=C1)C(=O)C1=CC=CC=C1 Halofenozide 112226-61-6|Halofenozide|4-chlorobenzoic acid 2-benzoyl-2-(1,1-dimethylethyl)hydrazide|Benzoic acid N-tert-butyl-N-(4-chlorobenzoyl)hydrazide|Benzoic acid, 4-chloro-, 2-benzoyl-2-(1,1-dimethylethyl)hydrazide|CL 290,816|Mach-2|RH 0345|RH-0345|RH-70345|UNII-C81K20PELV|468062-58-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032619
ERPathway2016 ERPathway2016_1168 Halofenozide 112226-61-6 DTXSID4032619 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)N(NC(=O)C1=CC=C(Cl)C=C1)C(=O)C1=CC=CC=C1 Halofenozide 112226-61-6|Halofenozide|4-chlorobenzoic acid 2-benzoyl-2-(1,1-dimethylethyl)hydrazide|Benzoic acid N-tert-butyl-N-(4-chlorobenzoyl)hydrazide|Benzoic acid, 4-chloro-, 2-benzoyl-2-(1,1-dimethylethyl)hydrazide|CL 290,816|Mach-2|RH 0345|RH-0345|RH-70345|UNII-C81K20PELV|468062-58-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032619
ERPathway2016 ERPathway2016_1168 Halofenozide 112226-61-6 DTXSID4032619 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)N(NC(=O)C1=CC=C(Cl)C=C1)C(=O)C1=CC=CC=C1 Halofenozide 112226-61-6|Halofenozide|4-chlorobenzoic acid 2-benzoyl-2-(1,1-dimethylethyl)hydrazide|Benzoic acid N-tert-butyl-N-(4-chlorobenzoyl)hydrazide|Benzoic acid, 4-chloro-, 2-benzoyl-2-(1,1-dimethylethyl)hydrazide|CL 290,816|Mach-2|RH 0345|RH-0345|RH-70345|UNII-C81K20PELV|468062-58-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032619
ERPathway2016 ERPathway2016_1168 Halofenozide 112226-61-6 DTXSID4032619 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)N(NC(=O)C1=CC=C(Cl)C=C1)C(=O)C1=CC=CC=C1 Halofenozide 112226-61-6|Halofenozide|4-chlorobenzoic acid 2-benzoyl-2-(1,1-dimethylethyl)hydrazide|Benzoic acid N-tert-butyl-N-(4-chlorobenzoyl)hydrazide|Benzoic acid, 4-chloro-, 2-benzoyl-2-(1,1-dimethylethyl)hydrazide|CL 290,816|Mach-2|RH 0345|RH-0345|RH-70345|UNII-C81K20PELV|468062-58-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032619
ERPathway2016 ERPathway2016_1168 Halofenozide 112226-61-6 DTXSID4032619 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)N(NC(=O)C1=CC=C(Cl)C=C1)C(=O)C1=CC=CC=C1 Halofenozide 112226-61-6|Halofenozide|4-chlorobenzoic acid 2-benzoyl-2-(1,1-dimethylethyl)hydrazide|Benzoic acid N-tert-butyl-N-(4-chlorobenzoyl)hydrazide|Benzoic acid, 4-chloro-, 2-benzoyl-2-(1,1-dimethylethyl)hydrazide|CL 290,816|Mach-2|RH 0345|RH-0345|RH-70345|UNII-C81K20PELV|468062-58-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032619
ARPathway2016 ARPathway2016_1283 Haloperidol 52-86-8 DTXSID4034150 FLAG: Wrong direction (Hit/No hit) -1.0 A4 AR Pathway Model, Antagonist Model Score 0 Unitless OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 Haloperidol 52-86-8|Haloperidol|1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine|1-Butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-|200-155-6|4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone|4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-(para-chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone|4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone|4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one|4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone|4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone|4'-fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone|4'-Fluoro-4-(4-hydroxy-4-p-chlorophenylpiperidino)butyrophenone|5-21-02-00377|Aloperidin|Aloperidol|Aloperidolo|Bioperidolo|BRN 0331267|Brotopon|Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-|Butyrophenone, 4'-fluoro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034150
ARPathway2016 ARPathway2016_1283 Haloperidol 52-86-8 DTXSID4034150 FLAG: Wrong direction (Hit/No hit) -1.0 A4 AR Pathway Model, Agonist Model Score 0 Unitless OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 Haloperidol 52-86-8|Haloperidol|1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine|1-Butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-|200-155-6|4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone|4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-(para-chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone|4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone|4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one|4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone|4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone|4'-fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone|4'-Fluoro-4-(4-hydroxy-4-p-chlorophenylpiperidino)butyrophenone|5-21-02-00377|Aloperidin|Aloperidol|Aloperidolo|Bioperidolo|BRN 0331267|Brotopon|Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-|Butyrophenone, 4'-fluoro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034150
ARPathway2016 ARPathway2016_1283 Haloperidol 52-86-8 DTXSID4034150 FLAG: Wrong direction (Hit/No hit) -1.0 A4 AR Pathway Model, Agonist Call Inactive Unitless OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 Haloperidol 52-86-8|Haloperidol|1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine|1-Butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-|200-155-6|4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone|4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-(para-chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone|4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone|4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one|4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone|4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone|4'-fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone|4'-Fluoro-4-(4-hydroxy-4-p-chlorophenylpiperidino)butyrophenone|5-21-02-00377|Aloperidin|Aloperidol|Aloperidolo|Bioperidolo|BRN 0331267|Brotopon|Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-|Butyrophenone, 4'-fluoro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034150
ARPathway2016 ARPathway2016_1283 Haloperidol 52-86-8 DTXSID4034150 FLAG: Wrong direction (Hit/No hit) -1.0 A4 AR Pathway Model, Antagonist Call Inactive Unitless OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 Haloperidol 52-86-8|Haloperidol|1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine|1-Butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-|200-155-6|4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone|4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-(para-chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone|4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone|4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one|4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone|4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone|4'-fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone|4'-Fluoro-4-(4-hydroxy-4-p-chlorophenylpiperidino)butyrophenone|5-21-02-00377|Aloperidin|Aloperidol|Aloperidolo|Bioperidolo|BRN 0331267|Brotopon|Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-|Butyrophenone, 4'-fluoro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034150
ERPathway2016 ERPathway2016_432 Haloperidol 52-86-8 DTXSID4034150 A13 ER Pathway Model, Antagonist AC50 9.88935714069951 uM OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 Haloperidol 52-86-8|Haloperidol|1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine|1-Butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-|200-155-6|4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone|4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-(para-chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone|4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone|4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one|4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone|4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone|4'-fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone|4'-Fluoro-4-(4-hydroxy-4-p-chlorophenylpiperidino)butyrophenone|5-21-02-00377|Aloperidin|Aloperidol|Aloperidolo|Bioperidolo|BRN 0331267|Brotopon|Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-|Butyrophenone, 4'-fluoro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034150
ERPathway2016 ERPathway2016_432 Haloperidol 52-86-8 DTXSID4034150 A13 ER Pathway Model, Antagonist ACC 8.00581189869298 uM OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 Haloperidol 52-86-8|Haloperidol|1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine|1-Butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-|200-155-6|4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone|4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-(para-chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone|4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone|4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one|4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone|4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone|4'-fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone|4'-Fluoro-4-(4-hydroxy-4-p-chlorophenylpiperidino)butyrophenone|5-21-02-00377|Aloperidin|Aloperidol|Aloperidolo|Bioperidolo|BRN 0331267|Brotopon|Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-|Butyrophenone, 4'-fluoro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034150
ERPathway2016 ERPathway2016_432 Haloperidol 52-86-8 DTXSID4034150 A13 ER Pathway Model, Agonist Model Score 0.00598 Unitless OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 Haloperidol 52-86-8|Haloperidol|1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine|1-Butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-|200-155-6|4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone|4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-(para-chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone|4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone|4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one|4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone|4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone|4'-fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone|4'-Fluoro-4-(4-hydroxy-4-p-chlorophenylpiperidino)butyrophenone|5-21-02-00377|Aloperidin|Aloperidol|Aloperidolo|Bioperidolo|BRN 0331267|Brotopon|Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-|Butyrophenone, 4'-fluoro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034150
ERPathway2016 ERPathway2016_432 Haloperidol 52-86-8 DTXSID4034150 A13 ER Pathway Model, Antagonist Model Score 0 Unitless OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 Haloperidol 52-86-8|Haloperidol|1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine|1-Butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-|200-155-6|4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone|4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-(para-chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone|4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone|4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one|4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone|4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone|4'-fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone|4'-Fluoro-4-(4-hydroxy-4-p-chlorophenylpiperidino)butyrophenone|5-21-02-00377|Aloperidin|Aloperidol|Aloperidolo|Bioperidolo|BRN 0331267|Brotopon|Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-|Butyrophenone, 4'-fluoro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034150
ERPathway2016 ERPathway2016_432 Haloperidol 52-86-8 DTXSID4034150 A13 ER Pathway Model, Agonist Call Inactive Unitless OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 Haloperidol 52-86-8|Haloperidol|1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine|1-Butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-|200-155-6|4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone|4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-(para-chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone|4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone|4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one|4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone|4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone|4'-fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone|4'-Fluoro-4-(4-hydroxy-4-p-chlorophenylpiperidino)butyrophenone|5-21-02-00377|Aloperidin|Aloperidol|Aloperidolo|Bioperidolo|BRN 0331267|Brotopon|Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-|Butyrophenone, 4'-fluoro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034150
ERPathway2016 ERPathway2016_432 Haloperidol 52-86-8 DTXSID4034150 A13 ER Pathway Model, Antagonist Call Active Unitless OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 Haloperidol 52-86-8|Haloperidol|1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine|1-Butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-|200-155-6|4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone|4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-(para-chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone|4-(4-Hydroxy-4'-chloro-4-phenylpiperidino)-4'-fluorobutyrophenone|4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone|4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one|4-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone|4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone|4'-fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone|4'-Fluoro-4-(4-hydroxy-4-p-chlorophenylpiperidino)butyrophenone|5-21-02-00377|Aloperidin|Aloperidol|Aloperidolo|Bioperidolo|BRN 0331267|Brotopon|Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-|Butyrophenone, 4'-fluoro- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034150
ARPathway2016 ARPathway2016_1501 Haloxyfop-methyl 69806-40-2 DTXSID6024123 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C(C)OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1 Haloxyfop-methyl 69806-40-2|Haloxyfop-methyl|(RS)-2-[4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid methyl ester|BRN 1509615|Dowco 453|Dowco 453ME|Haloxyfop methyl ester|Haloxyfop-Me|haloxyfop-methyl|Methyl 2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoate|methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|Propanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, methyl ester|Verdict|Verdict R|114180-25-5|86510-80-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024123
ARPathway2016 ARPathway2016_1501 Haloxyfop-methyl 69806-40-2 DTXSID6024123 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)C(C)OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1 Haloxyfop-methyl 69806-40-2|Haloxyfop-methyl|(RS)-2-[4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid methyl ester|BRN 1509615|Dowco 453|Dowco 453ME|Haloxyfop methyl ester|Haloxyfop-Me|haloxyfop-methyl|Methyl 2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoate|methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|Propanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, methyl ester|Verdict|Verdict R|114180-25-5|86510-80-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024123
ARPathway2016 ARPathway2016_1501 Haloxyfop-methyl 69806-40-2 DTXSID6024123 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)C(C)OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1 Haloxyfop-methyl 69806-40-2|Haloxyfop-methyl|(RS)-2-[4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid methyl ester|BRN 1509615|Dowco 453|Dowco 453ME|Haloxyfop methyl ester|Haloxyfop-Me|haloxyfop-methyl|Methyl 2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoate|methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|Propanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, methyl ester|Verdict|Verdict R|114180-25-5|86510-80-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024123
ARPathway2016 ARPathway2016_1501 Haloxyfop-methyl 69806-40-2 DTXSID6024123 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)C(C)OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1 Haloxyfop-methyl 69806-40-2|Haloxyfop-methyl|(RS)-2-[4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid methyl ester|BRN 1509615|Dowco 453|Dowco 453ME|Haloxyfop methyl ester|Haloxyfop-Me|haloxyfop-methyl|Methyl 2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoate|methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|Propanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, methyl ester|Verdict|Verdict R|114180-25-5|86510-80-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024123
ERPathway2016 ERPathway2016_111 Haloxyfop-methyl 69806-40-2 DTXSID6024123 A3 ER Pathway Model, Agonist AC50 0.160880971711242 uM COC(=O)C(C)OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1 Haloxyfop-methyl 69806-40-2|Haloxyfop-methyl|(RS)-2-[4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid methyl ester|BRN 1509615|Dowco 453|Dowco 453ME|Haloxyfop methyl ester|Haloxyfop-Me|haloxyfop-methyl|Methyl 2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoate|methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|Propanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, methyl ester|Verdict|Verdict R|114180-25-5|86510-80-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024123
ERPathway2016 ERPathway2016_111 Haloxyfop-methyl 69806-40-2 DTXSID6024123 A3 ER Pathway Model, Agonist ACC 0.0929582362875697 uM COC(=O)C(C)OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1 Haloxyfop-methyl 69806-40-2|Haloxyfop-methyl|(RS)-2-[4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid methyl ester|BRN 1509615|Dowco 453|Dowco 453ME|Haloxyfop methyl ester|Haloxyfop-Me|haloxyfop-methyl|Methyl 2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoate|methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|Propanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, methyl ester|Verdict|Verdict R|114180-25-5|86510-80-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024123
ERPathway2016 ERPathway2016_111 Haloxyfop-methyl 69806-40-2 DTXSID6024123 A3 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)C(C)OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1 Haloxyfop-methyl 69806-40-2|Haloxyfop-methyl|(RS)-2-[4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid methyl ester|BRN 1509615|Dowco 453|Dowco 453ME|Haloxyfop methyl ester|Haloxyfop-Me|haloxyfop-methyl|Methyl 2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoate|methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|Propanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, methyl ester|Verdict|Verdict R|114180-25-5|86510-80-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024123
ERPathway2016 ERPathway2016_111 Haloxyfop-methyl 69806-40-2 DTXSID6024123 A3 ER Pathway Model, Antagonist Model Score 0.0317 Unitless COC(=O)C(C)OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1 Haloxyfop-methyl 69806-40-2|Haloxyfop-methyl|(RS)-2-[4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid methyl ester|BRN 1509615|Dowco 453|Dowco 453ME|Haloxyfop methyl ester|Haloxyfop-Me|haloxyfop-methyl|Methyl 2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoate|methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|Propanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, methyl ester|Verdict|Verdict R|114180-25-5|86510-80-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024123
ERPathway2016 ERPathway2016_111 Haloxyfop-methyl 69806-40-2 DTXSID6024123 A3 ER Pathway Model, Agonist Call Active Unitless COC(=O)C(C)OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1 Haloxyfop-methyl 69806-40-2|Haloxyfop-methyl|(RS)-2-[4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid methyl ester|BRN 1509615|Dowco 453|Dowco 453ME|Haloxyfop methyl ester|Haloxyfop-Me|haloxyfop-methyl|Methyl 2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoate|methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|Propanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, methyl ester|Verdict|Verdict R|114180-25-5|86510-80-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024123
ERPathway2016 ERPathway2016_111 Haloxyfop-methyl 69806-40-2 DTXSID6024123 A3 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)C(C)OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1 Haloxyfop-methyl 69806-40-2|Haloxyfop-methyl|(RS)-2-[4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid methyl ester|BRN 1509615|Dowco 453|Dowco 453ME|Haloxyfop methyl ester|Haloxyfop-Me|haloxyfop-methyl|Methyl 2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoate|methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|Propanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, methyl ester|Verdict|Verdict R|114180-25-5|86510-80-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024123
ARPathway2016 ARPathway2016_272 Heptachlor 76-44-8 DTXSID3020679 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist AC50 65.41287287 uM ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Heptachlor 76-44-8|Heptachlor|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindene|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-methyleneindene|1,4,5,6,7,8,8-Eptacloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indene|1,4,5,6,7,8,8-Heptachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indeen|1,4,5,6,7,8,8-Heptachlor-3a,4,7,7,7a-tetrahydro-4,7-endo-methano-inden|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endomethanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanol-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endo-methanoindene|1,4,5,6,7,8,8-Heptachlorotetrahydro-4,7-methanoindene|1,4,5,6,7,8,8a-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindane|1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene|1(3a),4,5,6,7,8,8-Heptachloro-3a(1),4,7,7a-tetrahydro-4,7-methanoindene|3-Chlorochlordene|3,4,5,6,7,8,8a-Heptachlorodicyclopentadiene|3,4,5,6,8,8a-H|23720-59-4|37229-06-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020679 https://doi.org/10.22427/NTP-DATA-DTXSID3020679
ARPathway2016 ARPathway2016_272 Heptachlor 76-44-8 DTXSID3020679 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist ACC 72.1225647797157 uM ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Heptachlor 76-44-8|Heptachlor|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindene|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-methyleneindene|1,4,5,6,7,8,8-Eptacloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indene|1,4,5,6,7,8,8-Heptachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indeen|1,4,5,6,7,8,8-Heptachlor-3a,4,7,7,7a-tetrahydro-4,7-endo-methano-inden|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endomethanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanol-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endo-methanoindene|1,4,5,6,7,8,8-Heptachlorotetrahydro-4,7-methanoindene|1,4,5,6,7,8,8a-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindane|1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene|1(3a),4,5,6,7,8,8-Heptachloro-3a(1),4,7,7a-tetrahydro-4,7-methanoindene|3-Chlorochlordene|3,4,5,6,7,8,8a-Heptachlorodicyclopentadiene|3,4,5,6,8,8a-H|23720-59-4|37229-06-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020679 https://doi.org/10.22427/NTP-DATA-DTXSID3020679
ARPathway2016 ARPathway2016_272 Heptachlor 76-44-8 DTXSID3020679 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0.0429 Unitless ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Heptachlor 76-44-8|Heptachlor|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindene|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-methyleneindene|1,4,5,6,7,8,8-Eptacloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indene|1,4,5,6,7,8,8-Heptachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indeen|1,4,5,6,7,8,8-Heptachlor-3a,4,7,7,7a-tetrahydro-4,7-endo-methano-inden|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endomethanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanol-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endo-methanoindene|1,4,5,6,7,8,8-Heptachlorotetrahydro-4,7-methanoindene|1,4,5,6,7,8,8a-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindane|1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene|1(3a),4,5,6,7,8,8-Heptachloro-3a(1),4,7,7a-tetrahydro-4,7-methanoindene|3-Chlorochlordene|3,4,5,6,7,8,8a-Heptachlorodicyclopentadiene|3,4,5,6,8,8a-H|23720-59-4|37229-06-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020679 https://doi.org/10.22427/NTP-DATA-DTXSID3020679
ARPathway2016 ARPathway2016_272 Heptachlor 76-44-8 DTXSID3020679 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0.0115 Unitless ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Heptachlor 76-44-8|Heptachlor|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindene|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-methyleneindene|1,4,5,6,7,8,8-Eptacloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indene|1,4,5,6,7,8,8-Heptachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indeen|1,4,5,6,7,8,8-Heptachlor-3a,4,7,7,7a-tetrahydro-4,7-endo-methano-inden|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endomethanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanol-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endo-methanoindene|1,4,5,6,7,8,8-Heptachlorotetrahydro-4,7-methanoindene|1,4,5,6,7,8,8a-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindane|1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene|1(3a),4,5,6,7,8,8-Heptachloro-3a(1),4,7,7a-tetrahydro-4,7-methanoindene|3-Chlorochlordene|3,4,5,6,7,8,8a-Heptachlorodicyclopentadiene|3,4,5,6,8,8a-H|23720-59-4|37229-06-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020679 https://doi.org/10.22427/NTP-DATA-DTXSID3020679
ARPathway2016 ARPathway2016_272 Heptachlor 76-44-8 DTXSID3020679 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Active Unitless ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Heptachlor 76-44-8|Heptachlor|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindene|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-methyleneindene|1,4,5,6,7,8,8-Eptacloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indene|1,4,5,6,7,8,8-Heptachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indeen|1,4,5,6,7,8,8-Heptachlor-3a,4,7,7,7a-tetrahydro-4,7-endo-methano-inden|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endomethanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanol-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endo-methanoindene|1,4,5,6,7,8,8-Heptachlorotetrahydro-4,7-methanoindene|1,4,5,6,7,8,8a-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindane|1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene|1(3a),4,5,6,7,8,8-Heptachloro-3a(1),4,7,7a-tetrahydro-4,7-methanoindene|3-Chlorochlordene|3,4,5,6,7,8,8a-Heptachlorodicyclopentadiene|3,4,5,6,8,8a-H|23720-59-4|37229-06-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020679 https://doi.org/10.22427/NTP-DATA-DTXSID3020679
ARPathway2016 ARPathway2016_272 Heptachlor 76-44-8 DTXSID3020679 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Heptachlor 76-44-8|Heptachlor|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindene|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-methyleneindene|1,4,5,6,7,8,8-Eptacloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indene|1,4,5,6,7,8,8-Heptachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indeen|1,4,5,6,7,8,8-Heptachlor-3a,4,7,7,7a-tetrahydro-4,7-endo-methano-inden|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endomethanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanol-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endo-methanoindene|1,4,5,6,7,8,8-Heptachlorotetrahydro-4,7-methanoindene|1,4,5,6,7,8,8a-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindane|1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene|1(3a),4,5,6,7,8,8-Heptachloro-3a(1),4,7,7a-tetrahydro-4,7-methanoindene|3-Chlorochlordene|3,4,5,6,7,8,8a-Heptachlorodicyclopentadiene|3,4,5,6,8,8a-H|23720-59-4|37229-06-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020679 https://doi.org/10.22427/NTP-DATA-DTXSID3020679
ERPathway2016 ERPathway2016_760 Heptachlor 76-44-8 DTXSID3020679 A13 ER Pathway Model, Agonist Model Score 0 Unitless ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Heptachlor 76-44-8|Heptachlor|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindene|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-methyleneindene|1,4,5,6,7,8,8-Eptacloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indene|1,4,5,6,7,8,8-Heptachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indeen|1,4,5,6,7,8,8-Heptachlor-3a,4,7,7,7a-tetrahydro-4,7-endo-methano-inden|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endomethanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanol-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endo-methanoindene|1,4,5,6,7,8,8-Heptachlorotetrahydro-4,7-methanoindene|1,4,5,6,7,8,8a-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindane|1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene|1(3a),4,5,6,7,8,8-Heptachloro-3a(1),4,7,7a-tetrahydro-4,7-methanoindene|3-Chlorochlordene|3,4,5,6,7,8,8a-Heptachlorodicyclopentadiene|3,4,5,6,8,8a-H|23720-59-4|37229-06-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020679 https://doi.org/10.22427/NTP-DATA-DTXSID3020679
ERPathway2016 ERPathway2016_760 Heptachlor 76-44-8 DTXSID3020679 A13 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Heptachlor 76-44-8|Heptachlor|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindene|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-methyleneindene|1,4,5,6,7,8,8-Eptacloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indene|1,4,5,6,7,8,8-Heptachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indeen|1,4,5,6,7,8,8-Heptachlor-3a,4,7,7,7a-tetrahydro-4,7-endo-methano-inden|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endomethanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanol-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endo-methanoindene|1,4,5,6,7,8,8-Heptachlorotetrahydro-4,7-methanoindene|1,4,5,6,7,8,8a-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindane|1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene|1(3a),4,5,6,7,8,8-Heptachloro-3a(1),4,7,7a-tetrahydro-4,7-methanoindene|3-Chlorochlordene|3,4,5,6,7,8,8a-Heptachlorodicyclopentadiene|3,4,5,6,8,8a-H|23720-59-4|37229-06-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020679 https://doi.org/10.22427/NTP-DATA-DTXSID3020679
ERPathway2016 ERPathway2016_760 Heptachlor 76-44-8 DTXSID3020679 A13 ER Pathway Model, Agonist Call Inactive Unitless ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Heptachlor 76-44-8|Heptachlor|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindene|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-methyleneindene|1,4,5,6,7,8,8-Eptacloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indene|1,4,5,6,7,8,8-Heptachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indeen|1,4,5,6,7,8,8-Heptachlor-3a,4,7,7,7a-tetrahydro-4,7-endo-methano-inden|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endomethanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanol-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endo-methanoindene|1,4,5,6,7,8,8-Heptachlorotetrahydro-4,7-methanoindene|1,4,5,6,7,8,8a-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindane|1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene|1(3a),4,5,6,7,8,8-Heptachloro-3a(1),4,7,7a-tetrahydro-4,7-methanoindene|3-Chlorochlordene|3,4,5,6,7,8,8a-Heptachlorodicyclopentadiene|3,4,5,6,8,8a-H|23720-59-4|37229-06-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020679 https://doi.org/10.22427/NTP-DATA-DTXSID3020679
ERPathway2016 ERPathway2016_760 Heptachlor 76-44-8 DTXSID3020679 A13 ER Pathway Model, Antagonist Call Inactive Unitless ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Heptachlor 76-44-8|Heptachlor|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindene|1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-methyleneindene|1,4,5,6,7,8,8-Eptacloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indene|1,4,5,6,7,8,8-Heptachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indeen|1,4,5,6,7,8,8-Heptachlor-3a,4,7,7,7a-tetrahydro-4,7-endo-methano-inden|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endomethanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanol-1H-indene|1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-endo-methanoindene|1,4,5,6,7,8,8-Heptachlorotetrahydro-4,7-methanoindene|1,4,5,6,7,8,8a-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindane|1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene|1(3a),4,5,6,7,8,8-Heptachloro-3a(1),4,7,7a-tetrahydro-4,7-methanoindene|3-Chlorochlordene|3,4,5,6,7,8,8a-Heptachlorodicyclopentadiene|3,4,5,6,8,8a-H|23720-59-4|37229-06-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020679 https://doi.org/10.22427/NTP-DATA-DTXSID3020679
ARPathway2016 ARPathway2016_4 Heptachlor epoxide B 1024-57-3 DTXSID1024126 1.0 Antagonist AR Pathway Model, Agonist AC50 42.9792277 uM [H][C@]12O[C@@]1([H])[C@@]1([H])[C@@]([H])([C@H]2Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl Heptachlor epoxide B 1024-57-3|Heptachlor epoxide B|(.+-.)-cis-Heptachlor epoxide|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-methanoindan|2,3,4,5,6,7,7-Heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno(1,2-b)oxirene|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aa,1bb,2a,5a,5ab,6b,6aa)-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachlor-1a,1b,5,5a,6,6a-hexahydro-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-|4,7-Methanoindan, 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-|cis-Heptachlor epoxide|EINECS 213-831-0|epoxido de heptacloro|epoxyde d'heptachlore|Epoxyheptachlor|GPKh epoxide|Heptachlor cis-oxide|Heptachlor epoxide B|Heptachlor exo-epoxide|Heptachlorepoxid|Heptepoxide|UNII-055UWF6R6I|Velsicol 53-CS-17|Velsicol 53CS17|24699-42-1|24717-72-4|28044-82-8|4067-30-5|66240-71-9|66429-35-4|71567-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024126
ARPathway2016 ARPathway2016_4 Heptachlor epoxide B 1024-57-3 DTXSID1024126 1.0 Antagonist AR Pathway Model, Agonist ACC 47.8869023752616 uM [H][C@]12O[C@@]1([H])[C@@]1([H])[C@@]([H])([C@H]2Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl Heptachlor epoxide B 1024-57-3|Heptachlor epoxide B|(.+-.)-cis-Heptachlor epoxide|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-methanoindan|2,3,4,5,6,7,7-Heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno(1,2-b)oxirene|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aa,1bb,2a,5a,5ab,6b,6aa)-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachlor-1a,1b,5,5a,6,6a-hexahydro-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-|4,7-Methanoindan, 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-|cis-Heptachlor epoxide|EINECS 213-831-0|epoxido de heptacloro|epoxyde d'heptachlore|Epoxyheptachlor|GPKh epoxide|Heptachlor cis-oxide|Heptachlor epoxide B|Heptachlor exo-epoxide|Heptachlorepoxid|Heptepoxide|UNII-055UWF6R6I|Velsicol 53-CS-17|Velsicol 53CS17|24699-42-1|24717-72-4|28044-82-8|4067-30-5|66240-71-9|66429-35-4|71567-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024126
ARPathway2016 ARPathway2016_4 Heptachlor epoxide B 1024-57-3 DTXSID1024126 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0597 Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])[C@@]([H])([C@H]2Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl Heptachlor epoxide B 1024-57-3|Heptachlor epoxide B|(.+-.)-cis-Heptachlor epoxide|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-methanoindan|2,3,4,5,6,7,7-Heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno(1,2-b)oxirene|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aa,1bb,2a,5a,5ab,6b,6aa)-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachlor-1a,1b,5,5a,6,6a-hexahydro-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-|4,7-Methanoindan, 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-|cis-Heptachlor epoxide|EINECS 213-831-0|epoxido de heptacloro|epoxyde d'heptachlore|Epoxyheptachlor|GPKh epoxide|Heptachlor cis-oxide|Heptachlor epoxide B|Heptachlor exo-epoxide|Heptachlorepoxid|Heptepoxide|UNII-055UWF6R6I|Velsicol 53-CS-17|Velsicol 53CS17|24699-42-1|24717-72-4|28044-82-8|4067-30-5|66240-71-9|66429-35-4|71567-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024126
ARPathway2016 ARPathway2016_4 Heptachlor epoxide B 1024-57-3 DTXSID1024126 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])[C@@]([H])([C@H]2Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl Heptachlor epoxide B 1024-57-3|Heptachlor epoxide B|(.+-.)-cis-Heptachlor epoxide|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-methanoindan|2,3,4,5,6,7,7-Heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno(1,2-b)oxirene|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aa,1bb,2a,5a,5ab,6b,6aa)-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachlor-1a,1b,5,5a,6,6a-hexahydro-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-|4,7-Methanoindan, 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-|cis-Heptachlor epoxide|EINECS 213-831-0|epoxido de heptacloro|epoxyde d'heptachlore|Epoxyheptachlor|GPKh epoxide|Heptachlor cis-oxide|Heptachlor epoxide B|Heptachlor exo-epoxide|Heptachlorepoxid|Heptepoxide|UNII-055UWF6R6I|Velsicol 53-CS-17|Velsicol 53CS17|24699-42-1|24717-72-4|28044-82-8|4067-30-5|66240-71-9|66429-35-4|71567-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024126
ARPathway2016 ARPathway2016_4 Heptachlor epoxide B 1024-57-3 DTXSID1024126 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])[C@@]([H])([C@H]2Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl Heptachlor epoxide B 1024-57-3|Heptachlor epoxide B|(.+-.)-cis-Heptachlor epoxide|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-methanoindan|2,3,4,5,6,7,7-Heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno(1,2-b)oxirene|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aa,1bb,2a,5a,5ab,6b,6aa)-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachlor-1a,1b,5,5a,6,6a-hexahydro-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-|4,7-Methanoindan, 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-|cis-Heptachlor epoxide|EINECS 213-831-0|epoxido de heptacloro|epoxyde d'heptachlore|Epoxyheptachlor|GPKh epoxide|Heptachlor cis-oxide|Heptachlor epoxide B|Heptachlor exo-epoxide|Heptachlorepoxid|Heptepoxide|UNII-055UWF6R6I|Velsicol 53-CS-17|Velsicol 53CS17|24699-42-1|24717-72-4|28044-82-8|4067-30-5|66240-71-9|66429-35-4|71567-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024126
ARPathway2016 ARPathway2016_4 Heptachlor epoxide B 1024-57-3 DTXSID1024126 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])[C@@]([H])([C@H]2Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl Heptachlor epoxide B 1024-57-3|Heptachlor epoxide B|(.+-.)-cis-Heptachlor epoxide|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-methanoindan|2,3,4,5,6,7,7-Heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno(1,2-b)oxirene|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aa,1bb,2a,5a,5ab,6b,6aa)-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachlor-1a,1b,5,5a,6,6a-hexahydro-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-|4,7-Methanoindan, 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-|cis-Heptachlor epoxide|EINECS 213-831-0|epoxido de heptacloro|epoxyde d'heptachlore|Epoxyheptachlor|GPKh epoxide|Heptachlor cis-oxide|Heptachlor epoxide B|Heptachlor exo-epoxide|Heptachlorepoxid|Heptepoxide|UNII-055UWF6R6I|Velsicol 53-CS-17|Velsicol 53CS17|24699-42-1|24717-72-4|28044-82-8|4067-30-5|66240-71-9|66429-35-4|71567-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024126
ERPathway2016 ERPathway2016_420 Heptachlor epoxide B 1024-57-3 DTXSID1024126 A12 ER Pathway Model, Antagonist AC50 11.53364129987 uM [H][C@]12O[C@@]1([H])[C@@]1([H])[C@@]([H])([C@H]2Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl Heptachlor epoxide B 1024-57-3|Heptachlor epoxide B|(.+-.)-cis-Heptachlor epoxide|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-methanoindan|2,3,4,5,6,7,7-Heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno(1,2-b)oxirene|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aa,1bb,2a,5a,5ab,6b,6aa)-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachlor-1a,1b,5,5a,6,6a-hexahydro-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-|4,7-Methanoindan, 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-|cis-Heptachlor epoxide|EINECS 213-831-0|epoxido de heptacloro|epoxyde d'heptachlore|Epoxyheptachlor|GPKh epoxide|Heptachlor cis-oxide|Heptachlor epoxide B|Heptachlor exo-epoxide|Heptachlorepoxid|Heptepoxide|UNII-055UWF6R6I|Velsicol 53-CS-17|Velsicol 53CS17|24699-42-1|24717-72-4|28044-82-8|4067-30-5|66240-71-9|66429-35-4|71567-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024126
ERPathway2016 ERPathway2016_420 Heptachlor epoxide B 1024-57-3 DTXSID1024126 A12 ER Pathway Model, Antagonist ACC 15.0716937990864 uM [H][C@]12O[C@@]1([H])[C@@]1([H])[C@@]([H])([C@H]2Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl Heptachlor epoxide B 1024-57-3|Heptachlor epoxide B|(.+-.)-cis-Heptachlor epoxide|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-methanoindan|2,3,4,5,6,7,7-Heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno(1,2-b)oxirene|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aa,1bb,2a,5a,5ab,6b,6aa)-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachlor-1a,1b,5,5a,6,6a-hexahydro-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-|4,7-Methanoindan, 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-|cis-Heptachlor epoxide|EINECS 213-831-0|epoxido de heptacloro|epoxyde d'heptachlore|Epoxyheptachlor|GPKh epoxide|Heptachlor cis-oxide|Heptachlor epoxide B|Heptachlor exo-epoxide|Heptachlorepoxid|Heptepoxide|UNII-055UWF6R6I|Velsicol 53-CS-17|Velsicol 53CS17|24699-42-1|24717-72-4|28044-82-8|4067-30-5|66240-71-9|66429-35-4|71567-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024126
ERPathway2016 ERPathway2016_420 Heptachlor epoxide B 1024-57-3 DTXSID1024126 A12 ER Pathway Model, Agonist Model Score 0.00739 Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])[C@@]([H])([C@H]2Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl Heptachlor epoxide B 1024-57-3|Heptachlor epoxide B|(.+-.)-cis-Heptachlor epoxide|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-methanoindan|2,3,4,5,6,7,7-Heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno(1,2-b)oxirene|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aa,1bb,2a,5a,5ab,6b,6aa)-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachlor-1a,1b,5,5a,6,6a-hexahydro-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-|4,7-Methanoindan, 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-|cis-Heptachlor epoxide|EINECS 213-831-0|epoxido de heptacloro|epoxyde d'heptachlore|Epoxyheptachlor|GPKh epoxide|Heptachlor cis-oxide|Heptachlor epoxide B|Heptachlor exo-epoxide|Heptachlorepoxid|Heptepoxide|UNII-055UWF6R6I|Velsicol 53-CS-17|Velsicol 53CS17|24699-42-1|24717-72-4|28044-82-8|4067-30-5|66240-71-9|66429-35-4|71567-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024126
ERPathway2016 ERPathway2016_420 Heptachlor epoxide B 1024-57-3 DTXSID1024126 A12 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])[C@@]([H])([C@H]2Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl Heptachlor epoxide B 1024-57-3|Heptachlor epoxide B|(.+-.)-cis-Heptachlor epoxide|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-methanoindan|2,3,4,5,6,7,7-Heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno(1,2-b)oxirene|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aa,1bb,2a,5a,5ab,6b,6aa)-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachlor-1a,1b,5,5a,6,6a-hexahydro-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-|4,7-Methanoindan, 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-|cis-Heptachlor epoxide|EINECS 213-831-0|epoxido de heptacloro|epoxyde d'heptachlore|Epoxyheptachlor|GPKh epoxide|Heptachlor cis-oxide|Heptachlor epoxide B|Heptachlor exo-epoxide|Heptachlorepoxid|Heptepoxide|UNII-055UWF6R6I|Velsicol 53-CS-17|Velsicol 53CS17|24699-42-1|24717-72-4|28044-82-8|4067-30-5|66240-71-9|66429-35-4|71567-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024126
ERPathway2016 ERPathway2016_420 Heptachlor epoxide B 1024-57-3 DTXSID1024126 A12 ER Pathway Model, Agonist Call Inactive Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])[C@@]([H])([C@H]2Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl Heptachlor epoxide B 1024-57-3|Heptachlor epoxide B|(.+-.)-cis-Heptachlor epoxide|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-methanoindan|2,3,4,5,6,7,7-Heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno(1,2-b)oxirene|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aa,1bb,2a,5a,5ab,6b,6aa)-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachlor-1a,1b,5,5a,6,6a-hexahydro-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-|4,7-Methanoindan, 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-|cis-Heptachlor epoxide|EINECS 213-831-0|epoxido de heptacloro|epoxyde d'heptachlore|Epoxyheptachlor|GPKh epoxide|Heptachlor cis-oxide|Heptachlor epoxide B|Heptachlor exo-epoxide|Heptachlorepoxid|Heptepoxide|UNII-055UWF6R6I|Velsicol 53-CS-17|Velsicol 53CS17|24699-42-1|24717-72-4|28044-82-8|4067-30-5|66240-71-9|66429-35-4|71567-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024126
ERPathway2016 ERPathway2016_420 Heptachlor epoxide B 1024-57-3 DTXSID1024126 A12 ER Pathway Model, Antagonist Call Active Unitless [H][C@]12O[C@@]1([H])[C@@]1([H])[C@@]([H])([C@H]2Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl Heptachlor epoxide B 1024-57-3|Heptachlor epoxide B|(.+-.)-cis-Heptachlor epoxide|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene|1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-methanoindan|2,3,4,5,6,7,7-Heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno(1,2-b)oxirene|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-|2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aa,1bb,2a,5a,5ab,6b,6aa)-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachlor-1a,1b,5,5a,6,6a-hexahydro-|2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-|4,7-Methanoindan, 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-|cis-Heptachlor epoxide|EINECS 213-831-0|epoxido de heptacloro|epoxyde d'heptachlore|Epoxyheptachlor|GPKh epoxide|Heptachlor cis-oxide|Heptachlor epoxide B|Heptachlor exo-epoxide|Heptachlorepoxid|Heptepoxide|UNII-055UWF6R6I|Velsicol 53-CS-17|Velsicol 53CS17|24699-42-1|24717-72-4|28044-82-8|4067-30-5|66240-71-9|66429-35-4|71567-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024126
ARPathway2016 ARPathway2016_576 Heptanal 111-71-7 DTXSID0021597 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC=O Heptanal 111-71-7|Heptanal|1-Heptaldehyde|1-Heptanal|Aldehyde C-7|Aldehyde C7|BRN 1560236|EINECS 203-898-4|Enanthal|Enanthaldehyde|Enanthic aldehyde|Enanthole|FEMA 2540|FEMA No. 2540|FEMA Number 2541|heptaldehyde|Heptan-1-al|Heptanaldehyde|Heptyl aldehyde|Heptylaldehyde|N-C6H13CHO|n-Heptaldehyde|N-Heptaldehyde [UN3056] [Flammable liquid]|n-Heptanal|n-Heptylaldehyde|NSC 2190|Oenanthal|OENANTHALDEHYD|Oenanthaldehyde|Oenanthic aldehyde|Oenanthol|Oenanthole|UN 3056|UNII-92N104S3HF https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021597 https://doi.org/10.22427/NTP-DATA-DTXSID0021597
ARPathway2016 ARPathway2016_576 Heptanal 111-71-7 DTXSID0021597 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCC=O Heptanal 111-71-7|Heptanal|1-Heptaldehyde|1-Heptanal|Aldehyde C-7|Aldehyde C7|BRN 1560236|EINECS 203-898-4|Enanthal|Enanthaldehyde|Enanthic aldehyde|Enanthole|FEMA 2540|FEMA No. 2540|FEMA Number 2541|heptaldehyde|Heptan-1-al|Heptanaldehyde|Heptyl aldehyde|Heptylaldehyde|N-C6H13CHO|n-Heptaldehyde|N-Heptaldehyde [UN3056] [Flammable liquid]|n-Heptanal|n-Heptylaldehyde|NSC 2190|Oenanthal|OENANTHALDEHYD|Oenanthaldehyde|Oenanthic aldehyde|Oenanthol|Oenanthole|UN 3056|UNII-92N104S3HF https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021597 https://doi.org/10.22427/NTP-DATA-DTXSID0021597
ARPathway2016 ARPathway2016_576 Heptanal 111-71-7 DTXSID0021597 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCC=O Heptanal 111-71-7|Heptanal|1-Heptaldehyde|1-Heptanal|Aldehyde C-7|Aldehyde C7|BRN 1560236|EINECS 203-898-4|Enanthal|Enanthaldehyde|Enanthic aldehyde|Enanthole|FEMA 2540|FEMA No. 2540|FEMA Number 2541|heptaldehyde|Heptan-1-al|Heptanaldehyde|Heptyl aldehyde|Heptylaldehyde|N-C6H13CHO|n-Heptaldehyde|N-Heptaldehyde [UN3056] [Flammable liquid]|n-Heptanal|n-Heptylaldehyde|NSC 2190|Oenanthal|OENANTHALDEHYD|Oenanthaldehyde|Oenanthic aldehyde|Oenanthol|Oenanthole|UN 3056|UNII-92N104S3HF https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021597 https://doi.org/10.22427/NTP-DATA-DTXSID0021597
ARPathway2016 ARPathway2016_576 Heptanal 111-71-7 DTXSID0021597 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCC=O Heptanal 111-71-7|Heptanal|1-Heptaldehyde|1-Heptanal|Aldehyde C-7|Aldehyde C7|BRN 1560236|EINECS 203-898-4|Enanthal|Enanthaldehyde|Enanthic aldehyde|Enanthole|FEMA 2540|FEMA No. 2540|FEMA Number 2541|heptaldehyde|Heptan-1-al|Heptanaldehyde|Heptyl aldehyde|Heptylaldehyde|N-C6H13CHO|n-Heptaldehyde|N-Heptaldehyde [UN3056] [Flammable liquid]|n-Heptanal|n-Heptylaldehyde|NSC 2190|Oenanthal|OENANTHALDEHYD|Oenanthaldehyde|Oenanthic aldehyde|Oenanthol|Oenanthole|UN 3056|UNII-92N104S3HF https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021597 https://doi.org/10.22427/NTP-DATA-DTXSID0021597
ERPathway2016 ERPathway2016_303 Heptanal 111-71-7 DTXSID0021597 ER Pathway Model, Antagonist AC50 19.8348560906589 uM CCCCCCC=O Heptanal 111-71-7|Heptanal|1-Heptaldehyde|1-Heptanal|Aldehyde C-7|Aldehyde C7|BRN 1560236|EINECS 203-898-4|Enanthal|Enanthaldehyde|Enanthic aldehyde|Enanthole|FEMA 2540|FEMA No. 2540|FEMA Number 2541|heptaldehyde|Heptan-1-al|Heptanaldehyde|Heptyl aldehyde|Heptylaldehyde|N-C6H13CHO|n-Heptaldehyde|N-Heptaldehyde [UN3056] [Flammable liquid]|n-Heptanal|n-Heptylaldehyde|NSC 2190|Oenanthal|OENANTHALDEHYD|Oenanthaldehyde|Oenanthic aldehyde|Oenanthol|Oenanthole|UN 3056|UNII-92N104S3HF https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021597 https://doi.org/10.22427/NTP-DATA-DTXSID0021597
ERPathway2016 ERPathway2016_303 Heptanal 111-71-7 DTXSID0021597 ER Pathway Model, Antagonist ACC 73.6087999579639 uM CCCCCCC=O Heptanal 111-71-7|Heptanal|1-Heptaldehyde|1-Heptanal|Aldehyde C-7|Aldehyde C7|BRN 1560236|EINECS 203-898-4|Enanthal|Enanthaldehyde|Enanthic aldehyde|Enanthole|FEMA 2540|FEMA No. 2540|FEMA Number 2541|heptaldehyde|Heptan-1-al|Heptanaldehyde|Heptyl aldehyde|Heptylaldehyde|N-C6H13CHO|n-Heptaldehyde|N-Heptaldehyde [UN3056] [Flammable liquid]|n-Heptanal|n-Heptylaldehyde|NSC 2190|Oenanthal|OENANTHALDEHYD|Oenanthaldehyde|Oenanthic aldehyde|Oenanthol|Oenanthole|UN 3056|UNII-92N104S3HF https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021597 https://doi.org/10.22427/NTP-DATA-DTXSID0021597
ERPathway2016 ERPathway2016_303 Heptanal 111-71-7 DTXSID0021597 ER Pathway Model, Agonist Model Score 0.0319 Unitless CCCCCCC=O Heptanal 111-71-7|Heptanal|1-Heptaldehyde|1-Heptanal|Aldehyde C-7|Aldehyde C7|BRN 1560236|EINECS 203-898-4|Enanthal|Enanthaldehyde|Enanthic aldehyde|Enanthole|FEMA 2540|FEMA No. 2540|FEMA Number 2541|heptaldehyde|Heptan-1-al|Heptanaldehyde|Heptyl aldehyde|Heptylaldehyde|N-C6H13CHO|n-Heptaldehyde|N-Heptaldehyde [UN3056] [Flammable liquid]|n-Heptanal|n-Heptylaldehyde|NSC 2190|Oenanthal|OENANTHALDEHYD|Oenanthaldehyde|Oenanthic aldehyde|Oenanthol|Oenanthole|UN 3056|UNII-92N104S3HF https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021597 https://doi.org/10.22427/NTP-DATA-DTXSID0021597
ERPathway2016 ERPathway2016_303 Heptanal 111-71-7 DTXSID0021597 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC=O Heptanal 111-71-7|Heptanal|1-Heptaldehyde|1-Heptanal|Aldehyde C-7|Aldehyde C7|BRN 1560236|EINECS 203-898-4|Enanthal|Enanthaldehyde|Enanthic aldehyde|Enanthole|FEMA 2540|FEMA No. 2540|FEMA Number 2541|heptaldehyde|Heptan-1-al|Heptanaldehyde|Heptyl aldehyde|Heptylaldehyde|N-C6H13CHO|n-Heptaldehyde|N-Heptaldehyde [UN3056] [Flammable liquid]|n-Heptanal|n-Heptylaldehyde|NSC 2190|Oenanthal|OENANTHALDEHYD|Oenanthaldehyde|Oenanthic aldehyde|Oenanthol|Oenanthole|UN 3056|UNII-92N104S3HF https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021597 https://doi.org/10.22427/NTP-DATA-DTXSID0021597
ERPathway2016 ERPathway2016_303 Heptanal 111-71-7 DTXSID0021597 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCC=O Heptanal 111-71-7|Heptanal|1-Heptaldehyde|1-Heptanal|Aldehyde C-7|Aldehyde C7|BRN 1560236|EINECS 203-898-4|Enanthal|Enanthaldehyde|Enanthic aldehyde|Enanthole|FEMA 2540|FEMA No. 2540|FEMA Number 2541|heptaldehyde|Heptan-1-al|Heptanaldehyde|Heptyl aldehyde|Heptylaldehyde|N-C6H13CHO|n-Heptaldehyde|N-Heptaldehyde [UN3056] [Flammable liquid]|n-Heptanal|n-Heptylaldehyde|NSC 2190|Oenanthal|OENANTHALDEHYD|Oenanthaldehyde|Oenanthic aldehyde|Oenanthol|Oenanthole|UN 3056|UNII-92N104S3HF https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021597 https://doi.org/10.22427/NTP-DATA-DTXSID0021597
ERPathway2016 ERPathway2016_303 Heptanal 111-71-7 DTXSID0021597 ER Pathway Model, Antagonist Call Active Unitless CCCCCCC=O Heptanal 111-71-7|Heptanal|1-Heptaldehyde|1-Heptanal|Aldehyde C-7|Aldehyde C7|BRN 1560236|EINECS 203-898-4|Enanthal|Enanthaldehyde|Enanthic aldehyde|Enanthole|FEMA 2540|FEMA No. 2540|FEMA Number 2541|heptaldehyde|Heptan-1-al|Heptanaldehyde|Heptyl aldehyde|Heptylaldehyde|N-C6H13CHO|n-Heptaldehyde|N-Heptaldehyde [UN3056] [Flammable liquid]|n-Heptanal|n-Heptylaldehyde|NSC 2190|Oenanthal|OENANTHALDEHYD|Oenanthaldehyde|Oenanthic aldehyde|Oenanthol|Oenanthole|UN 3056|UNII-92N104S3HF https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021597 https://doi.org/10.22427/NTP-DATA-DTXSID0021597
ARPathway2016 ARPathway2016_559 Heptanoic acid 111-14-8 DTXSID2021600 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC(O)=O Heptanoic acid 111-14-8|Heptanoic acid|1-Hexanecarboxylate|1-Hexanecarboxylic acid|4-02-00-00958|Acide heptanoique|acido heptanoico|Artec ultra conditioning teat dip|BRN 1744723|EINECS 203-838-7|Enanthate|Enanthic acid|Enanthylate|Enanthylic acid|FEMA No. 3348|Heptanoate|Heptansaure|Heptoate|Heptoic acid|Heptylate|Heptylic acid|Hexacid C-7|N-Heptanoate|n-Heptanoic acid|N-Heptoate|n-Heptoic acid|N-Heptylate|n-Heptylic acid|NSC 2192|Oenanthate|Oenanthic acid|OENANTHIC-ACID, C7|Oenanthylate|Oenanthylic acid|UNII-THE3YNP39D|2243153-85-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021600 https://doi.org/10.22427/NTP-DATA-DTXSID2021600
ARPathway2016 ARPathway2016_559 Heptanoic acid 111-14-8 DTXSID2021600 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCC(O)=O Heptanoic acid 111-14-8|Heptanoic acid|1-Hexanecarboxylate|1-Hexanecarboxylic acid|4-02-00-00958|Acide heptanoique|acido heptanoico|Artec ultra conditioning teat dip|BRN 1744723|EINECS 203-838-7|Enanthate|Enanthic acid|Enanthylate|Enanthylic acid|FEMA No. 3348|Heptanoate|Heptansaure|Heptoate|Heptoic acid|Heptylate|Heptylic acid|Hexacid C-7|N-Heptanoate|n-Heptanoic acid|N-Heptoate|n-Heptoic acid|N-Heptylate|n-Heptylic acid|NSC 2192|Oenanthate|Oenanthic acid|OENANTHIC-ACID, C7|Oenanthylate|Oenanthylic acid|UNII-THE3YNP39D|2243153-85-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021600 https://doi.org/10.22427/NTP-DATA-DTXSID2021600
ARPathway2016 ARPathway2016_559 Heptanoic acid 111-14-8 DTXSID2021600 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCC(O)=O Heptanoic acid 111-14-8|Heptanoic acid|1-Hexanecarboxylate|1-Hexanecarboxylic acid|4-02-00-00958|Acide heptanoique|acido heptanoico|Artec ultra conditioning teat dip|BRN 1744723|EINECS 203-838-7|Enanthate|Enanthic acid|Enanthylate|Enanthylic acid|FEMA No. 3348|Heptanoate|Heptansaure|Heptoate|Heptoic acid|Heptylate|Heptylic acid|Hexacid C-7|N-Heptanoate|n-Heptanoic acid|N-Heptoate|n-Heptoic acid|N-Heptylate|n-Heptylic acid|NSC 2192|Oenanthate|Oenanthic acid|OENANTHIC-ACID, C7|Oenanthylate|Oenanthylic acid|UNII-THE3YNP39D|2243153-85-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021600 https://doi.org/10.22427/NTP-DATA-DTXSID2021600
ARPathway2016 ARPathway2016_559 Heptanoic acid 111-14-8 DTXSID2021600 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCC(O)=O Heptanoic acid 111-14-8|Heptanoic acid|1-Hexanecarboxylate|1-Hexanecarboxylic acid|4-02-00-00958|Acide heptanoique|acido heptanoico|Artec ultra conditioning teat dip|BRN 1744723|EINECS 203-838-7|Enanthate|Enanthic acid|Enanthylate|Enanthylic acid|FEMA No. 3348|Heptanoate|Heptansaure|Heptoate|Heptoic acid|Heptylate|Heptylic acid|Hexacid C-7|N-Heptanoate|n-Heptanoic acid|N-Heptoate|n-Heptoic acid|N-Heptylate|n-Heptylic acid|NSC 2192|Oenanthate|Oenanthic acid|OENANTHIC-ACID, C7|Oenanthylate|Oenanthylic acid|UNII-THE3YNP39D|2243153-85-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021600 https://doi.org/10.22427/NTP-DATA-DTXSID2021600
ERPathway2016 ERPathway2016_1145 Heptanoic acid 111-14-8 DTXSID2021600 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCC(O)=O Heptanoic acid 111-14-8|Heptanoic acid|1-Hexanecarboxylate|1-Hexanecarboxylic acid|4-02-00-00958|Acide heptanoique|acido heptanoico|Artec ultra conditioning teat dip|BRN 1744723|EINECS 203-838-7|Enanthate|Enanthic acid|Enanthylate|Enanthylic acid|FEMA No. 3348|Heptanoate|Heptansaure|Heptoate|Heptoic acid|Heptylate|Heptylic acid|Hexacid C-7|N-Heptanoate|n-Heptanoic acid|N-Heptoate|n-Heptoic acid|N-Heptylate|n-Heptylic acid|NSC 2192|Oenanthate|Oenanthic acid|OENANTHIC-ACID, C7|Oenanthylate|Oenanthylic acid|UNII-THE3YNP39D|2243153-85-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021600 https://doi.org/10.22427/NTP-DATA-DTXSID2021600
ERPathway2016 ERPathway2016_1145 Heptanoic acid 111-14-8 DTXSID2021600 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC(O)=O Heptanoic acid 111-14-8|Heptanoic acid|1-Hexanecarboxylate|1-Hexanecarboxylic acid|4-02-00-00958|Acide heptanoique|acido heptanoico|Artec ultra conditioning teat dip|BRN 1744723|EINECS 203-838-7|Enanthate|Enanthic acid|Enanthylate|Enanthylic acid|FEMA No. 3348|Heptanoate|Heptansaure|Heptoate|Heptoic acid|Heptylate|Heptylic acid|Hexacid C-7|N-Heptanoate|n-Heptanoic acid|N-Heptoate|n-Heptoic acid|N-Heptylate|n-Heptylic acid|NSC 2192|Oenanthate|Oenanthic acid|OENANTHIC-ACID, C7|Oenanthylate|Oenanthylic acid|UNII-THE3YNP39D|2243153-85-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021600 https://doi.org/10.22427/NTP-DATA-DTXSID2021600
ERPathway2016 ERPathway2016_1145 Heptanoic acid 111-14-8 DTXSID2021600 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCC(O)=O Heptanoic acid 111-14-8|Heptanoic acid|1-Hexanecarboxylate|1-Hexanecarboxylic acid|4-02-00-00958|Acide heptanoique|acido heptanoico|Artec ultra conditioning teat dip|BRN 1744723|EINECS 203-838-7|Enanthate|Enanthic acid|Enanthylate|Enanthylic acid|FEMA No. 3348|Heptanoate|Heptansaure|Heptoate|Heptoic acid|Heptylate|Heptylic acid|Hexacid C-7|N-Heptanoate|n-Heptanoic acid|N-Heptoate|n-Heptoic acid|N-Heptylate|n-Heptylic acid|NSC 2192|Oenanthate|Oenanthic acid|OENANTHIC-ACID, C7|Oenanthylate|Oenanthylic acid|UNII-THE3YNP39D|2243153-85-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021600 https://doi.org/10.22427/NTP-DATA-DTXSID2021600
ERPathway2016 ERPathway2016_1145 Heptanoic acid 111-14-8 DTXSID2021600 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCC(O)=O Heptanoic acid 111-14-8|Heptanoic acid|1-Hexanecarboxylate|1-Hexanecarboxylic acid|4-02-00-00958|Acide heptanoique|acido heptanoico|Artec ultra conditioning teat dip|BRN 1744723|EINECS 203-838-7|Enanthate|Enanthic acid|Enanthylate|Enanthylic acid|FEMA No. 3348|Heptanoate|Heptansaure|Heptoate|Heptoic acid|Heptylate|Heptylic acid|Hexacid C-7|N-Heptanoate|n-Heptanoic acid|N-Heptoate|n-Heptoic acid|N-Heptylate|n-Heptylic acid|NSC 2192|Oenanthate|Oenanthic acid|OENANTHIC-ACID, C7|Oenanthylate|Oenanthylic acid|UNII-THE3YNP39D|2243153-85-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021600 https://doi.org/10.22427/NTP-DATA-DTXSID2021600
ARPathway2016 ARPathway2016_927 Heptanophenone 1671-75-6 DTXSID9048194 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC(=O)C1=CC=CC=C1 Heptanophenone 1671-75-6|Heptanophenone|EINECS 216-802-0|UNII-KX07WP06JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048194
ARPathway2016 ARPathway2016_927 Heptanophenone 1671-75-6 DTXSID9048194 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCC(=O)C1=CC=CC=C1 Heptanophenone 1671-75-6|Heptanophenone|EINECS 216-802-0|UNII-KX07WP06JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048194
ARPathway2016 ARPathway2016_927 Heptanophenone 1671-75-6 DTXSID9048194 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCC(=O)C1=CC=CC=C1 Heptanophenone 1671-75-6|Heptanophenone|EINECS 216-802-0|UNII-KX07WP06JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048194
ARPathway2016 ARPathway2016_927 Heptanophenone 1671-75-6 DTXSID9048194 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCC(=O)C1=CC=CC=C1 Heptanophenone 1671-75-6|Heptanophenone|EINECS 216-802-0|UNII-KX07WP06JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048194
ERPathway2016 ERPathway2016_427 Heptanophenone 1671-75-6 DTXSID9048194 ER Pathway Model, Antagonist AC50 73.3868418762921 uM CCCCCCC(=O)C1=CC=CC=C1 Heptanophenone 1671-75-6|Heptanophenone|EINECS 216-802-0|UNII-KX07WP06JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048194
ERPathway2016 ERPathway2016_427 Heptanophenone 1671-75-6 DTXSID9048194 ER Pathway Model, Antagonist ACC 62.6168040829635 uM CCCCCCC(=O)C1=CC=CC=C1 Heptanophenone 1671-75-6|Heptanophenone|EINECS 216-802-0|UNII-KX07WP06JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048194
ERPathway2016 ERPathway2016_427 Heptanophenone 1671-75-6 DTXSID9048194 ER Pathway Model, Agonist Model Score 0.00686 Unitless CCCCCCC(=O)C1=CC=CC=C1 Heptanophenone 1671-75-6|Heptanophenone|EINECS 216-802-0|UNII-KX07WP06JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048194
ERPathway2016 ERPathway2016_427 Heptanophenone 1671-75-6 DTXSID9048194 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC(=O)C1=CC=CC=C1 Heptanophenone 1671-75-6|Heptanophenone|EINECS 216-802-0|UNII-KX07WP06JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048194
ERPathway2016 ERPathway2016_427 Heptanophenone 1671-75-6 DTXSID9048194 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCC(=O)C1=CC=CC=C1 Heptanophenone 1671-75-6|Heptanophenone|EINECS 216-802-0|UNII-KX07WP06JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048194
ERPathway2016 ERPathway2016_427 Heptanophenone 1671-75-6 DTXSID9048194 ER Pathway Model, Antagonist Call Active Unitless CCCCCCC(=O)C1=CC=CC=C1 Heptanophenone 1671-75-6|Heptanophenone|EINECS 216-802-0|UNII-KX07WP06JY https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048194
ARPathway2016 ARPathway2016_1364 Heptyl butyrate 5870-93-9 DTXSID0042038 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCOC(=O)CCC Heptyl butyrate 5870-93-9|Heptyl butyrate|BRN 1760253|Butanoic acid, heptyl ester|Butyric acid, heptyl ester|EINECS 227-526-5|FEMA No. 2549|Heptyl butanoate|Heptyl butyrate|UNII-6YF38H29F1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042038
ARPathway2016 ARPathway2016_1364 Heptyl butyrate 5870-93-9 DTXSID0042038 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCOC(=O)CCC Heptyl butyrate 5870-93-9|Heptyl butyrate|BRN 1760253|Butanoic acid, heptyl ester|Butyric acid, heptyl ester|EINECS 227-526-5|FEMA No. 2549|Heptyl butanoate|Heptyl butyrate|UNII-6YF38H29F1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042038
ARPathway2016 ARPathway2016_1364 Heptyl butyrate 5870-93-9 DTXSID0042038 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCOC(=O)CCC Heptyl butyrate 5870-93-9|Heptyl butyrate|BRN 1760253|Butanoic acid, heptyl ester|Butyric acid, heptyl ester|EINECS 227-526-5|FEMA No. 2549|Heptyl butanoate|Heptyl butyrate|UNII-6YF38H29F1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042038
ARPathway2016 ARPathway2016_1364 Heptyl butyrate 5870-93-9 DTXSID0042038 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCOC(=O)CCC Heptyl butyrate 5870-93-9|Heptyl butyrate|BRN 1760253|Butanoic acid, heptyl ester|Butyric acid, heptyl ester|EINECS 227-526-5|FEMA No. 2549|Heptyl butanoate|Heptyl butyrate|UNII-6YF38H29F1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042038
ERPathway2016 ERPathway2016_1560 Heptyl butyrate 5870-93-9 DTXSID0042038 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCOC(=O)CCC Heptyl butyrate 5870-93-9|Heptyl butyrate|BRN 1760253|Butanoic acid, heptyl ester|Butyric acid, heptyl ester|EINECS 227-526-5|FEMA No. 2549|Heptyl butanoate|Heptyl butyrate|UNII-6YF38H29F1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042038
ERPathway2016 ERPathway2016_1560 Heptyl butyrate 5870-93-9 DTXSID0042038 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCOC(=O)CCC Heptyl butyrate 5870-93-9|Heptyl butyrate|BRN 1760253|Butanoic acid, heptyl ester|Butyric acid, heptyl ester|EINECS 227-526-5|FEMA No. 2549|Heptyl butanoate|Heptyl butyrate|UNII-6YF38H29F1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042038
ERPathway2016 ERPathway2016_1560 Heptyl butyrate 5870-93-9 DTXSID0042038 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCOC(=O)CCC Heptyl butyrate 5870-93-9|Heptyl butyrate|BRN 1760253|Butanoic acid, heptyl ester|Butyric acid, heptyl ester|EINECS 227-526-5|FEMA No. 2549|Heptyl butanoate|Heptyl butyrate|UNII-6YF38H29F1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042038
ERPathway2016 ERPathway2016_1560 Heptyl butyrate 5870-93-9 DTXSID0042038 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCOC(=O)CCC Heptyl butyrate 5870-93-9|Heptyl butyrate|BRN 1760253|Butanoic acid, heptyl ester|Butyric acid, heptyl ester|EINECS 227-526-5|FEMA No. 2549|Heptyl butanoate|Heptyl butyrate|UNII-6YF38H29F1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042038
ARPathway2016 ARPathway2016_513 Heptyl p-hydroxybenzoate 1085-12-7 DTXSID4022523 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCOC(=O)C1=CC=C(O)C=C1 Heptyl p-hydroxybenzoate 1085-12-7|Heptyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, heptyl ester|Benzoic acid, P-hydroxy-, heptyl ester|BRN 2726540|EINECS 214-115-0|Heptyl 4-hydroxybenzoate|Heptyl p-hydroxybenzoate|Heptyl paraben|Heptylparaben|n-heptyl 4-hydroxybenzoate|n-Heptyl p-hydroxybenzoate|Nipaheptyl|NSC 309818|p-Hydroxybenzoic acid heptyl ester|p-Oxybenzoesaureheptylester|Staypro WS 7|UNII-K2CIJ448IX https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022523
ARPathway2016 ARPathway2016_513 Heptyl p-hydroxybenzoate 1085-12-7 DTXSID4022523 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCOC(=O)C1=CC=C(O)C=C1 Heptyl p-hydroxybenzoate 1085-12-7|Heptyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, heptyl ester|Benzoic acid, P-hydroxy-, heptyl ester|BRN 2726540|EINECS 214-115-0|Heptyl 4-hydroxybenzoate|Heptyl p-hydroxybenzoate|Heptyl paraben|Heptylparaben|n-heptyl 4-hydroxybenzoate|n-Heptyl p-hydroxybenzoate|Nipaheptyl|NSC 309818|p-Hydroxybenzoic acid heptyl ester|p-Oxybenzoesaureheptylester|Staypro WS 7|UNII-K2CIJ448IX https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022523
ARPathway2016 ARPathway2016_513 Heptyl p-hydroxybenzoate 1085-12-7 DTXSID4022523 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCOC(=O)C1=CC=C(O)C=C1 Heptyl p-hydroxybenzoate 1085-12-7|Heptyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, heptyl ester|Benzoic acid, P-hydroxy-, heptyl ester|BRN 2726540|EINECS 214-115-0|Heptyl 4-hydroxybenzoate|Heptyl p-hydroxybenzoate|Heptyl paraben|Heptylparaben|n-heptyl 4-hydroxybenzoate|n-Heptyl p-hydroxybenzoate|Nipaheptyl|NSC 309818|p-Hydroxybenzoic acid heptyl ester|p-Oxybenzoesaureheptylester|Staypro WS 7|UNII-K2CIJ448IX https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022523
ARPathway2016 ARPathway2016_513 Heptyl p-hydroxybenzoate 1085-12-7 DTXSID4022523 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCOC(=O)C1=CC=C(O)C=C1 Heptyl p-hydroxybenzoate 1085-12-7|Heptyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, heptyl ester|Benzoic acid, P-hydroxy-, heptyl ester|BRN 2726540|EINECS 214-115-0|Heptyl 4-hydroxybenzoate|Heptyl p-hydroxybenzoate|Heptyl paraben|Heptylparaben|n-heptyl 4-hydroxybenzoate|n-Heptyl p-hydroxybenzoate|Nipaheptyl|NSC 309818|p-Hydroxybenzoic acid heptyl ester|p-Oxybenzoesaureheptylester|Staypro WS 7|UNII-K2CIJ448IX https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022523
ERPathway2016 ERPathway2016_184 Heptyl p-hydroxybenzoate 1085-12-7 DTXSID4022523 Agonist ER Pathway Model, Antagonist AC50 5.69364903706843 uM CCCCCCCOC(=O)C1=CC=C(O)C=C1 Heptyl p-hydroxybenzoate 1085-12-7|Heptyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, heptyl ester|Benzoic acid, P-hydroxy-, heptyl ester|BRN 2726540|EINECS 214-115-0|Heptyl 4-hydroxybenzoate|Heptyl p-hydroxybenzoate|Heptyl paraben|Heptylparaben|n-heptyl 4-hydroxybenzoate|n-Heptyl p-hydroxybenzoate|Nipaheptyl|NSC 309818|p-Hydroxybenzoic acid heptyl ester|p-Oxybenzoesaureheptylester|Staypro WS 7|UNII-K2CIJ448IX https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022523
ERPathway2016 ERPathway2016_184 Heptyl p-hydroxybenzoate 1085-12-7 DTXSID4022523 Agonist ER Pathway Model, Antagonist ACC 3.1067000804964 uM CCCCCCCOC(=O)C1=CC=C(O)C=C1 Heptyl p-hydroxybenzoate 1085-12-7|Heptyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, heptyl ester|Benzoic acid, P-hydroxy-, heptyl ester|BRN 2726540|EINECS 214-115-0|Heptyl 4-hydroxybenzoate|Heptyl p-hydroxybenzoate|Heptyl paraben|Heptylparaben|n-heptyl 4-hydroxybenzoate|n-Heptyl p-hydroxybenzoate|Nipaheptyl|NSC 309818|p-Hydroxybenzoic acid heptyl ester|p-Oxybenzoesaureheptylester|Staypro WS 7|UNII-K2CIJ448IX https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022523
ERPathway2016 ERPathway2016_184 Heptyl p-hydroxybenzoate 1085-12-7 DTXSID4022523 Agonist ER Pathway Model, Agonist Model Score 0.269 Unitless CCCCCCCOC(=O)C1=CC=C(O)C=C1 Heptyl p-hydroxybenzoate 1085-12-7|Heptyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, heptyl ester|Benzoic acid, P-hydroxy-, heptyl ester|BRN 2726540|EINECS 214-115-0|Heptyl 4-hydroxybenzoate|Heptyl p-hydroxybenzoate|Heptyl paraben|Heptylparaben|n-heptyl 4-hydroxybenzoate|n-Heptyl p-hydroxybenzoate|Nipaheptyl|NSC 309818|p-Hydroxybenzoic acid heptyl ester|p-Oxybenzoesaureheptylester|Staypro WS 7|UNII-K2CIJ448IX https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022523
ERPathway2016 ERPathway2016_184 Heptyl p-hydroxybenzoate 1085-12-7 DTXSID4022523 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCOC(=O)C1=CC=C(O)C=C1 Heptyl p-hydroxybenzoate 1085-12-7|Heptyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, heptyl ester|Benzoic acid, P-hydroxy-, heptyl ester|BRN 2726540|EINECS 214-115-0|Heptyl 4-hydroxybenzoate|Heptyl p-hydroxybenzoate|Heptyl paraben|Heptylparaben|n-heptyl 4-hydroxybenzoate|n-Heptyl p-hydroxybenzoate|Nipaheptyl|NSC 309818|p-Hydroxybenzoic acid heptyl ester|p-Oxybenzoesaureheptylester|Staypro WS 7|UNII-K2CIJ448IX https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022523
ERPathway2016 ERPathway2016_184 Heptyl p-hydroxybenzoate 1085-12-7 DTXSID4022523 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCOC(=O)C1=CC=C(O)C=C1 Heptyl p-hydroxybenzoate 1085-12-7|Heptyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, heptyl ester|Benzoic acid, P-hydroxy-, heptyl ester|BRN 2726540|EINECS 214-115-0|Heptyl 4-hydroxybenzoate|Heptyl p-hydroxybenzoate|Heptyl paraben|Heptylparaben|n-heptyl 4-hydroxybenzoate|n-Heptyl p-hydroxybenzoate|Nipaheptyl|NSC 309818|p-Hydroxybenzoic acid heptyl ester|p-Oxybenzoesaureheptylester|Staypro WS 7|UNII-K2CIJ448IX https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022523
ERPathway2016 ERPathway2016_184 Heptyl p-hydroxybenzoate 1085-12-7 DTXSID4022523 Agonist ER Pathway Model, Antagonist Call Active Unitless CCCCCCCOC(=O)C1=CC=C(O)C=C1 Heptyl p-hydroxybenzoate 1085-12-7|Heptyl p-hydroxybenzoate|Benzoic acid, 4-hydroxy-, heptyl ester|Benzoic acid, P-hydroxy-, heptyl ester|BRN 2726540|EINECS 214-115-0|Heptyl 4-hydroxybenzoate|Heptyl p-hydroxybenzoate|Heptyl paraben|Heptylparaben|n-heptyl 4-hydroxybenzoate|n-Heptyl p-hydroxybenzoate|Nipaheptyl|NSC 309818|p-Hydroxybenzoic acid heptyl ester|p-Oxybenzoesaureheptylester|Staypro WS 7|UNII-K2CIJ448IX https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022523
ARPathway2016 ARPathway2016_1667 Hexachloro-1,3-butadiene 87-68-3 DTXSID7020683 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl Hexachloro-1,3-butadiene 87-68-3|Hexachloro-1,3-butadiene|1,1,2,3,4,4-Hexachloro-1,3-butadiene|1,1,2,3,4,4-hexachlorobuta-1,3-diene|1,3-Butadiene, 1,1,2,3,4,4-hexachloro-|1,3-Hexachlorobutadiene|4-01-00-00988|BRN 1766570|BUTADIENE, HEXACHLORO-|Dolen-pur|EINECS 201-765-5|GP-40-66:120|HCB|HCBD|HEXACHLOR-1,3-BUTADIEN|Hexachlorbuta-1,3-dien|hexachlorobuta-1,3-diene|Hexachlorobutadiene|Hexacloro-1,3-butadieno|hexaclorobuta-1,3-dieno|NSC 3701|Perchloro-1,3-butadiene|Perchlorobutadiene|RCRA waste number U128|UN 2279|UNII-CQ8AAO9MO1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020683 https://doi.org/10.22427/NTP-DATA-DTXSID7020683
ARPathway2016 ARPathway2016_1667 Hexachloro-1,3-butadiene 87-68-3 DTXSID7020683 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl Hexachloro-1,3-butadiene 87-68-3|Hexachloro-1,3-butadiene|1,1,2,3,4,4-Hexachloro-1,3-butadiene|1,1,2,3,4,4-hexachlorobuta-1,3-diene|1,3-Butadiene, 1,1,2,3,4,4-hexachloro-|1,3-Hexachlorobutadiene|4-01-00-00988|BRN 1766570|BUTADIENE, HEXACHLORO-|Dolen-pur|EINECS 201-765-5|GP-40-66:120|HCB|HCBD|HEXACHLOR-1,3-BUTADIEN|Hexachlorbuta-1,3-dien|hexachlorobuta-1,3-diene|Hexachlorobutadiene|Hexacloro-1,3-butadieno|hexaclorobuta-1,3-dieno|NSC 3701|Perchloro-1,3-butadiene|Perchlorobutadiene|RCRA waste number U128|UN 2279|UNII-CQ8AAO9MO1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020683 https://doi.org/10.22427/NTP-DATA-DTXSID7020683
ARPathway2016 ARPathway2016_1667 Hexachloro-1,3-butadiene 87-68-3 DTXSID7020683 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl Hexachloro-1,3-butadiene 87-68-3|Hexachloro-1,3-butadiene|1,1,2,3,4,4-Hexachloro-1,3-butadiene|1,1,2,3,4,4-hexachlorobuta-1,3-diene|1,3-Butadiene, 1,1,2,3,4,4-hexachloro-|1,3-Hexachlorobutadiene|4-01-00-00988|BRN 1766570|BUTADIENE, HEXACHLORO-|Dolen-pur|EINECS 201-765-5|GP-40-66:120|HCB|HCBD|HEXACHLOR-1,3-BUTADIEN|Hexachlorbuta-1,3-dien|hexachlorobuta-1,3-diene|Hexachlorobutadiene|Hexacloro-1,3-butadieno|hexaclorobuta-1,3-dieno|NSC 3701|Perchloro-1,3-butadiene|Perchlorobutadiene|RCRA waste number U128|UN 2279|UNII-CQ8AAO9MO1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020683 https://doi.org/10.22427/NTP-DATA-DTXSID7020683
ARPathway2016 ARPathway2016_1667 Hexachloro-1,3-butadiene 87-68-3 DTXSID7020683 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl Hexachloro-1,3-butadiene 87-68-3|Hexachloro-1,3-butadiene|1,1,2,3,4,4-Hexachloro-1,3-butadiene|1,1,2,3,4,4-hexachlorobuta-1,3-diene|1,3-Butadiene, 1,1,2,3,4,4-hexachloro-|1,3-Hexachlorobutadiene|4-01-00-00988|BRN 1766570|BUTADIENE, HEXACHLORO-|Dolen-pur|EINECS 201-765-5|GP-40-66:120|HCB|HCBD|HEXACHLOR-1,3-BUTADIEN|Hexachlorbuta-1,3-dien|hexachlorobuta-1,3-diene|Hexachlorobutadiene|Hexacloro-1,3-butadieno|hexaclorobuta-1,3-dieno|NSC 3701|Perchloro-1,3-butadiene|Perchlorobutadiene|RCRA waste number U128|UN 2279|UNII-CQ8AAO9MO1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020683 https://doi.org/10.22427/NTP-DATA-DTXSID7020683
ERPathway2016 ERPathway2016_1717 Hexachloro-1,3-butadiene 87-68-3 DTXSID7020683 ER Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl Hexachloro-1,3-butadiene 87-68-3|Hexachloro-1,3-butadiene|1,1,2,3,4,4-Hexachloro-1,3-butadiene|1,1,2,3,4,4-hexachlorobuta-1,3-diene|1,3-Butadiene, 1,1,2,3,4,4-hexachloro-|1,3-Hexachlorobutadiene|4-01-00-00988|BRN 1766570|BUTADIENE, HEXACHLORO-|Dolen-pur|EINECS 201-765-5|GP-40-66:120|HCB|HCBD|HEXACHLOR-1,3-BUTADIEN|Hexachlorbuta-1,3-dien|hexachlorobuta-1,3-diene|Hexachlorobutadiene|Hexacloro-1,3-butadieno|hexaclorobuta-1,3-dieno|NSC 3701|Perchloro-1,3-butadiene|Perchlorobutadiene|RCRA waste number U128|UN 2279|UNII-CQ8AAO9MO1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020683 https://doi.org/10.22427/NTP-DATA-DTXSID7020683
ERPathway2016 ERPathway2016_1717 Hexachloro-1,3-butadiene 87-68-3 DTXSID7020683 ER Pathway Model, Antagonist Model Score 0 Unitless ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl Hexachloro-1,3-butadiene 87-68-3|Hexachloro-1,3-butadiene|1,1,2,3,4,4-Hexachloro-1,3-butadiene|1,1,2,3,4,4-hexachlorobuta-1,3-diene|1,3-Butadiene, 1,1,2,3,4,4-hexachloro-|1,3-Hexachlorobutadiene|4-01-00-00988|BRN 1766570|BUTADIENE, HEXACHLORO-|Dolen-pur|EINECS 201-765-5|GP-40-66:120|HCB|HCBD|HEXACHLOR-1,3-BUTADIEN|Hexachlorbuta-1,3-dien|hexachlorobuta-1,3-diene|Hexachlorobutadiene|Hexacloro-1,3-butadieno|hexaclorobuta-1,3-dieno|NSC 3701|Perchloro-1,3-butadiene|Perchlorobutadiene|RCRA waste number U128|UN 2279|UNII-CQ8AAO9MO1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020683 https://doi.org/10.22427/NTP-DATA-DTXSID7020683
ERPathway2016 ERPathway2016_1717 Hexachloro-1,3-butadiene 87-68-3 DTXSID7020683 ER Pathway Model, Agonist Call Inactive Unitless ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl Hexachloro-1,3-butadiene 87-68-3|Hexachloro-1,3-butadiene|1,1,2,3,4,4-Hexachloro-1,3-butadiene|1,1,2,3,4,4-hexachlorobuta-1,3-diene|1,3-Butadiene, 1,1,2,3,4,4-hexachloro-|1,3-Hexachlorobutadiene|4-01-00-00988|BRN 1766570|BUTADIENE, HEXACHLORO-|Dolen-pur|EINECS 201-765-5|GP-40-66:120|HCB|HCBD|HEXACHLOR-1,3-BUTADIEN|Hexachlorbuta-1,3-dien|hexachlorobuta-1,3-diene|Hexachlorobutadiene|Hexacloro-1,3-butadieno|hexaclorobuta-1,3-dieno|NSC 3701|Perchloro-1,3-butadiene|Perchlorobutadiene|RCRA waste number U128|UN 2279|UNII-CQ8AAO9MO1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020683 https://doi.org/10.22427/NTP-DATA-DTXSID7020683
ERPathway2016 ERPathway2016_1717 Hexachloro-1,3-butadiene 87-68-3 DTXSID7020683 ER Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl Hexachloro-1,3-butadiene 87-68-3|Hexachloro-1,3-butadiene|1,1,2,3,4,4-Hexachloro-1,3-butadiene|1,1,2,3,4,4-hexachlorobuta-1,3-diene|1,3-Butadiene, 1,1,2,3,4,4-hexachloro-|1,3-Hexachlorobutadiene|4-01-00-00988|BRN 1766570|BUTADIENE, HEXACHLORO-|Dolen-pur|EINECS 201-765-5|GP-40-66:120|HCB|HCBD|HEXACHLOR-1,3-BUTADIEN|Hexachlorbuta-1,3-dien|hexachlorobuta-1,3-diene|Hexachlorobutadiene|Hexacloro-1,3-butadieno|hexaclorobuta-1,3-dieno|NSC 3701|Perchloro-1,3-butadiene|Perchlorobutadiene|RCRA waste number U128|UN 2279|UNII-CQ8AAO9MO1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020683 https://doi.org/10.22427/NTP-DATA-DTXSID7020683
ARPathway2016 ARPathway2016_277 Hexachlorocyclopentadiene 77-47-4 DTXSID2020688 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 13.20691353 uM ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl Hexachlorocyclopentadiene 77-47-4|Hexachlorocyclopentadiene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene|1,2,3,4,5,5-Hexachlorocyclopentadiene|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|1,3-Cyclopentadiene, hexachloro-|4-05-00-00381|BRN 0976722|Caswell No. 478|CYCLOPENTADIENE, HEXACHLORO-|EINECS 201-029-3|EPA Pesticide Chemical Code 027502|Graphlox|HCCPD 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|Hexachlorcyclopentadien|Hexachlorcyklopentadien|Hexachloro-1,3-cyclopentadiene|hexaclorociclopentadieno|HRS 1655|NCI-C55607|NSC 9235|Perchloro-1,3-cyclopentadiene|Perchlorocyclopentadiene|RCRA waste number U130|UN 2646|UNII-IP6ATU242I https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020688 https://doi.org/10.22427/NTP-DATA-DTXSID2020688
ARPathway2016 ARPathway2016_277 Hexachlorocyclopentadiene 77-47-4 DTXSID2020688 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 9.894114329 uM ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl Hexachlorocyclopentadiene 77-47-4|Hexachlorocyclopentadiene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene|1,2,3,4,5,5-Hexachlorocyclopentadiene|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|1,3-Cyclopentadiene, hexachloro-|4-05-00-00381|BRN 0976722|Caswell No. 478|CYCLOPENTADIENE, HEXACHLORO-|EINECS 201-029-3|EPA Pesticide Chemical Code 027502|Graphlox|HCCPD 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|Hexachlorcyclopentadien|Hexachlorcyklopentadien|Hexachloro-1,3-cyclopentadiene|hexaclorociclopentadieno|HRS 1655|NCI-C55607|NSC 9235|Perchloro-1,3-cyclopentadiene|Perchlorocyclopentadiene|RCRA waste number U130|UN 2646|UNII-IP6ATU242I https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020688 https://doi.org/10.22427/NTP-DATA-DTXSID2020688
ARPathway2016 ARPathway2016_277 Hexachlorocyclopentadiene 77-47-4 DTXSID2020688 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0671 Unitless ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl Hexachlorocyclopentadiene 77-47-4|Hexachlorocyclopentadiene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene|1,2,3,4,5,5-Hexachlorocyclopentadiene|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|1,3-Cyclopentadiene, hexachloro-|4-05-00-00381|BRN 0976722|Caswell No. 478|CYCLOPENTADIENE, HEXACHLORO-|EINECS 201-029-3|EPA Pesticide Chemical Code 027502|Graphlox|HCCPD 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|Hexachlorcyclopentadien|Hexachlorcyklopentadien|Hexachloro-1,3-cyclopentadiene|hexaclorociclopentadieno|HRS 1655|NCI-C55607|NSC 9235|Perchloro-1,3-cyclopentadiene|Perchlorocyclopentadiene|RCRA waste number U130|UN 2646|UNII-IP6ATU242I https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020688 https://doi.org/10.22427/NTP-DATA-DTXSID2020688
ARPathway2016 ARPathway2016_277 Hexachlorocyclopentadiene 77-47-4 DTXSID2020688 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl Hexachlorocyclopentadiene 77-47-4|Hexachlorocyclopentadiene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene|1,2,3,4,5,5-Hexachlorocyclopentadiene|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|1,3-Cyclopentadiene, hexachloro-|4-05-00-00381|BRN 0976722|Caswell No. 478|CYCLOPENTADIENE, HEXACHLORO-|EINECS 201-029-3|EPA Pesticide Chemical Code 027502|Graphlox|HCCPD 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|Hexachlorcyclopentadien|Hexachlorcyklopentadien|Hexachloro-1,3-cyclopentadiene|hexaclorociclopentadieno|HRS 1655|NCI-C55607|NSC 9235|Perchloro-1,3-cyclopentadiene|Perchlorocyclopentadiene|RCRA waste number U130|UN 2646|UNII-IP6ATU242I https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020688 https://doi.org/10.22427/NTP-DATA-DTXSID2020688
ARPathway2016 ARPathway2016_277 Hexachlorocyclopentadiene 77-47-4 DTXSID2020688 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl Hexachlorocyclopentadiene 77-47-4|Hexachlorocyclopentadiene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene|1,2,3,4,5,5-Hexachlorocyclopentadiene|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|1,3-Cyclopentadiene, hexachloro-|4-05-00-00381|BRN 0976722|Caswell No. 478|CYCLOPENTADIENE, HEXACHLORO-|EINECS 201-029-3|EPA Pesticide Chemical Code 027502|Graphlox|HCCPD 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|Hexachlorcyclopentadien|Hexachlorcyklopentadien|Hexachloro-1,3-cyclopentadiene|hexaclorociclopentadieno|HRS 1655|NCI-C55607|NSC 9235|Perchloro-1,3-cyclopentadiene|Perchlorocyclopentadiene|RCRA waste number U130|UN 2646|UNII-IP6ATU242I https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020688 https://doi.org/10.22427/NTP-DATA-DTXSID2020688
ARPathway2016 ARPathway2016_277 Hexachlorocyclopentadiene 77-47-4 DTXSID2020688 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl Hexachlorocyclopentadiene 77-47-4|Hexachlorocyclopentadiene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene|1,2,3,4,5,5-Hexachlorocyclopentadiene|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|1,3-Cyclopentadiene, hexachloro-|4-05-00-00381|BRN 0976722|Caswell No. 478|CYCLOPENTADIENE, HEXACHLORO-|EINECS 201-029-3|EPA Pesticide Chemical Code 027502|Graphlox|HCCPD 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|Hexachlorcyclopentadien|Hexachlorcyklopentadien|Hexachloro-1,3-cyclopentadiene|hexaclorociclopentadieno|HRS 1655|NCI-C55607|NSC 9235|Perchloro-1,3-cyclopentadiene|Perchlorocyclopentadiene|RCRA waste number U130|UN 2646|UNII-IP6ATU242I https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020688 https://doi.org/10.22427/NTP-DATA-DTXSID2020688
ERPathway2016 ERPathway2016_394 Hexachlorocyclopentadiene 77-47-4 DTXSID2020688 A12 ER Pathway Model, Antagonist AC50 3.90933972077403 uM ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl Hexachlorocyclopentadiene 77-47-4|Hexachlorocyclopentadiene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene|1,2,3,4,5,5-Hexachlorocyclopentadiene|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|1,3-Cyclopentadiene, hexachloro-|4-05-00-00381|BRN 0976722|Caswell No. 478|CYCLOPENTADIENE, HEXACHLORO-|EINECS 201-029-3|EPA Pesticide Chemical Code 027502|Graphlox|HCCPD 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|Hexachlorcyclopentadien|Hexachlorcyklopentadien|Hexachloro-1,3-cyclopentadiene|hexaclorociclopentadieno|HRS 1655|NCI-C55607|NSC 9235|Perchloro-1,3-cyclopentadiene|Perchlorocyclopentadiene|RCRA waste number U130|UN 2646|UNII-IP6ATU242I https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020688 https://doi.org/10.22427/NTP-DATA-DTXSID2020688
ERPathway2016 ERPathway2016_394 Hexachlorocyclopentadiene 77-47-4 DTXSID2020688 A12 ER Pathway Model, Antagonist ACC 4.28879665376976 uM ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl Hexachlorocyclopentadiene 77-47-4|Hexachlorocyclopentadiene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene|1,2,3,4,5,5-Hexachlorocyclopentadiene|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|1,3-Cyclopentadiene, hexachloro-|4-05-00-00381|BRN 0976722|Caswell No. 478|CYCLOPENTADIENE, HEXACHLORO-|EINECS 201-029-3|EPA Pesticide Chemical Code 027502|Graphlox|HCCPD 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|Hexachlorcyclopentadien|Hexachlorcyklopentadien|Hexachloro-1,3-cyclopentadiene|hexaclorociclopentadieno|HRS 1655|NCI-C55607|NSC 9235|Perchloro-1,3-cyclopentadiene|Perchlorocyclopentadiene|RCRA waste number U130|UN 2646|UNII-IP6ATU242I https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020688 https://doi.org/10.22427/NTP-DATA-DTXSID2020688
ERPathway2016 ERPathway2016_394 Hexachlorocyclopentadiene 77-47-4 DTXSID2020688 A12 ER Pathway Model, Agonist Model Score 0.00973 Unitless ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl Hexachlorocyclopentadiene 77-47-4|Hexachlorocyclopentadiene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene|1,2,3,4,5,5-Hexachlorocyclopentadiene|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|1,3-Cyclopentadiene, hexachloro-|4-05-00-00381|BRN 0976722|Caswell No. 478|CYCLOPENTADIENE, HEXACHLORO-|EINECS 201-029-3|EPA Pesticide Chemical Code 027502|Graphlox|HCCPD 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|Hexachlorcyclopentadien|Hexachlorcyklopentadien|Hexachloro-1,3-cyclopentadiene|hexaclorociclopentadieno|HRS 1655|NCI-C55607|NSC 9235|Perchloro-1,3-cyclopentadiene|Perchlorocyclopentadiene|RCRA waste number U130|UN 2646|UNII-IP6ATU242I https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020688 https://doi.org/10.22427/NTP-DATA-DTXSID2020688
ERPathway2016 ERPathway2016_394 Hexachlorocyclopentadiene 77-47-4 DTXSID2020688 A12 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl Hexachlorocyclopentadiene 77-47-4|Hexachlorocyclopentadiene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene|1,2,3,4,5,5-Hexachlorocyclopentadiene|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|1,3-Cyclopentadiene, hexachloro-|4-05-00-00381|BRN 0976722|Caswell No. 478|CYCLOPENTADIENE, HEXACHLORO-|EINECS 201-029-3|EPA Pesticide Chemical Code 027502|Graphlox|HCCPD 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|Hexachlorcyclopentadien|Hexachlorcyklopentadien|Hexachloro-1,3-cyclopentadiene|hexaclorociclopentadieno|HRS 1655|NCI-C55607|NSC 9235|Perchloro-1,3-cyclopentadiene|Perchlorocyclopentadiene|RCRA waste number U130|UN 2646|UNII-IP6ATU242I https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020688 https://doi.org/10.22427/NTP-DATA-DTXSID2020688
ERPathway2016 ERPathway2016_394 Hexachlorocyclopentadiene 77-47-4 DTXSID2020688 A12 ER Pathway Model, Agonist Call Inactive Unitless ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl Hexachlorocyclopentadiene 77-47-4|Hexachlorocyclopentadiene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene|1,2,3,4,5,5-Hexachlorocyclopentadiene|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|1,3-Cyclopentadiene, hexachloro-|4-05-00-00381|BRN 0976722|Caswell No. 478|CYCLOPENTADIENE, HEXACHLORO-|EINECS 201-029-3|EPA Pesticide Chemical Code 027502|Graphlox|HCCPD 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|Hexachlorcyclopentadien|Hexachlorcyklopentadien|Hexachloro-1,3-cyclopentadiene|hexaclorociclopentadieno|HRS 1655|NCI-C55607|NSC 9235|Perchloro-1,3-cyclopentadiene|Perchlorocyclopentadiene|RCRA waste number U130|UN 2646|UNII-IP6ATU242I https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020688 https://doi.org/10.22427/NTP-DATA-DTXSID2020688
ERPathway2016 ERPathway2016_394 Hexachlorocyclopentadiene 77-47-4 DTXSID2020688 A12 ER Pathway Model, Antagonist Call Active Unitless ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl Hexachlorocyclopentadiene 77-47-4|Hexachlorocyclopentadiene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene|1,2,3,4,5,5-Hexachlorocyclopentadiene|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|1,3-Cyclopentadiene, hexachloro-|4-05-00-00381|BRN 0976722|Caswell No. 478|CYCLOPENTADIENE, HEXACHLORO-|EINECS 201-029-3|EPA Pesticide Chemical Code 027502|Graphlox|HCCPD 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-|Hexachlorcyclopentadien|Hexachlorcyklopentadien|Hexachloro-1,3-cyclopentadiene|hexaclorociclopentadieno|HRS 1655|NCI-C55607|NSC 9235|Perchloro-1,3-cyclopentadiene|Perchlorocyclopentadiene|RCRA waste number U130|UN 2646|UNII-IP6ATU242I https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020688 https://doi.org/10.22427/NTP-DATA-DTXSID2020688
ARPathway2016 ARPathway2016_284 Hexaconazole 79983-71-4 DTXSID4034653 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 32.4416700575152 uM CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl Hexaconazole 79983-71-4|Hexaconazole|(RS)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol|alpha-Butyl-alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (+-)-|Anvil L|Anvil Liquid|Chlortriafol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034653
ARPathway2016 ARPathway2016_284 Hexaconazole 79983-71-4 DTXSID4034653 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 32.09136764 uM CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl Hexaconazole 79983-71-4|Hexaconazole|(RS)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol|alpha-Butyl-alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (+-)-|Anvil L|Anvil Liquid|Chlortriafol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034653
ARPathway2016 ARPathway2016_284 Hexaconazole 79983-71-4 DTXSID4034653 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.23 Unitless CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl Hexaconazole 79983-71-4|Hexaconazole|(RS)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol|alpha-Butyl-alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (+-)-|Anvil L|Anvil Liquid|Chlortriafol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034653
ARPathway2016 ARPathway2016_284 Hexaconazole 79983-71-4 DTXSID4034653 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl Hexaconazole 79983-71-4|Hexaconazole|(RS)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol|alpha-Butyl-alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (+-)-|Anvil L|Anvil Liquid|Chlortriafol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034653
ARPathway2016 ARPathway2016_284 Hexaconazole 79983-71-4 DTXSID4034653 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl Hexaconazole 79983-71-4|Hexaconazole|(RS)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol|alpha-Butyl-alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (+-)-|Anvil L|Anvil Liquid|Chlortriafol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034653
ARPathway2016 ARPathway2016_284 Hexaconazole 79983-71-4 DTXSID4034653 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl Hexaconazole 79983-71-4|Hexaconazole|(RS)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol|alpha-Butyl-alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (+-)-|Anvil L|Anvil Liquid|Chlortriafol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034653
ERPathway2016 ERPathway2016_70 Hexaconazole 79983-71-4 DTXSID4034653 ER Pathway Model, Agonist AC50 14.5358938944035 uM CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl Hexaconazole 79983-71-4|Hexaconazole|(RS)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol|alpha-Butyl-alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (+-)-|Anvil L|Anvil Liquid|Chlortriafol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034653
ERPathway2016 ERPathway2016_70 Hexaconazole 79983-71-4 DTXSID4034653 ER Pathway Model, Agonist ACC 14.3594089447139 uM CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl Hexaconazole 79983-71-4|Hexaconazole|(RS)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol|alpha-Butyl-alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (+-)-|Anvil L|Anvil Liquid|Chlortriafol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034653
ERPathway2016 ERPathway2016_70 Hexaconazole 79983-71-4 DTXSID4034653 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl Hexaconazole 79983-71-4|Hexaconazole|(RS)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol|alpha-Butyl-alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (+-)-|Anvil L|Anvil Liquid|Chlortriafol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034653
ERPathway2016 ERPathway2016_70 Hexaconazole 79983-71-4 DTXSID4034653 ER Pathway Model, Antagonist Model Score 0.00822 Unitless CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl Hexaconazole 79983-71-4|Hexaconazole|(RS)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol|alpha-Butyl-alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (+-)-|Anvil L|Anvil Liquid|Chlortriafol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034653
ERPathway2016 ERPathway2016_70 Hexaconazole 79983-71-4 DTXSID4034653 ER Pathway Model, Agonist Call Active Unitless CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl Hexaconazole 79983-71-4|Hexaconazole|(RS)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol|alpha-Butyl-alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (+-)-|Anvil L|Anvil Liquid|Chlortriafol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034653
ERPathway2016 ERPathway2016_70 Hexaconazole 79983-71-4 DTXSID4034653 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl Hexaconazole 79983-71-4|Hexaconazole|(RS)-2-(2,4-Dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol|alpha-Butyl-alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (+-)-|Anvil L|Anvil Liquid|Chlortriafol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034653
ARPathway2016 ARPathway2016_1309 Hexadecane 544-76-3 DTXSID0027195 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCCCC Hexadecane 544-76-3|Hexadecane|4-01-00-00537|BRN 1736592|CNS|EINECS 208-878-9|Hexadecan|hexadecano|n-Cetane|N-HEXADECANE|NSC 7334|UNII-F8Z00SHP6Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027195
ARPathway2016 ARPathway2016_1309 Hexadecane 544-76-3 DTXSID0027195 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCCCC Hexadecane 544-76-3|Hexadecane|4-01-00-00537|BRN 1736592|CNS|EINECS 208-878-9|Hexadecan|hexadecano|n-Cetane|N-HEXADECANE|NSC 7334|UNII-F8Z00SHP6Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027195
ARPathway2016 ARPathway2016_1309 Hexadecane 544-76-3 DTXSID0027195 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCCCC Hexadecane 544-76-3|Hexadecane|4-01-00-00537|BRN 1736592|CNS|EINECS 208-878-9|Hexadecan|hexadecano|n-Cetane|N-HEXADECANE|NSC 7334|UNII-F8Z00SHP6Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027195
ARPathway2016 ARPathway2016_1309 Hexadecane 544-76-3 DTXSID0027195 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCCCC Hexadecane 544-76-3|Hexadecane|4-01-00-00537|BRN 1736592|CNS|EINECS 208-878-9|Hexadecan|hexadecano|n-Cetane|N-HEXADECANE|NSC 7334|UNII-F8Z00SHP6Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027195
ERPathway2016 ERPathway2016_877 Hexadecane 544-76-3 DTXSID0027195 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCCCC Hexadecane 544-76-3|Hexadecane|4-01-00-00537|BRN 1736592|CNS|EINECS 208-878-9|Hexadecan|hexadecano|n-Cetane|N-HEXADECANE|NSC 7334|UNII-F8Z00SHP6Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027195
ERPathway2016 ERPathway2016_877 Hexadecane 544-76-3 DTXSID0027195 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCCCC Hexadecane 544-76-3|Hexadecane|4-01-00-00537|BRN 1736592|CNS|EINECS 208-878-9|Hexadecan|hexadecano|n-Cetane|N-HEXADECANE|NSC 7334|UNII-F8Z00SHP6Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027195
ERPathway2016 ERPathway2016_877 Hexadecane 544-76-3 DTXSID0027195 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCCCC Hexadecane 544-76-3|Hexadecane|4-01-00-00537|BRN 1736592|CNS|EINECS 208-878-9|Hexadecan|hexadecano|n-Cetane|N-HEXADECANE|NSC 7334|UNII-F8Z00SHP6Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027195
ERPathway2016 ERPathway2016_877 Hexadecane 544-76-3 DTXSID0027195 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCCCC Hexadecane 544-76-3|Hexadecane|4-01-00-00537|BRN 1736592|CNS|EINECS 208-878-9|Hexadecan|hexadecano|n-Cetane|N-HEXADECANE|NSC 7334|UNII-F8Z00SHP6Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027195
ARPathway2016 ARPathway2016_1338 Hexadecanoic acid 57-10-3 DTXSID2021602 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCCCC(O)=O Hexadecanoic acid 57-10-3|Hexadecanoic acid|1-hexyldecanoic acid|1-Pentadecanecarboxylic acid|16:00|4-02-00-01157|Acide palmitique|acido palmitico, puro|BRN 0607489|C16|C16 fatty acid|C16:0|Cetylic acid|CH3-[CH2]14-COOH|Edenor C16|EINECS 200-312-9|Emersol 140|Emersol 143|FEMA No. 2832|Glycon P-45|Hexadecanoate|Hexadecanoic acid|Hexadecanoic acid palmitic acid|Hexadecoate|hexadecoic acid|Hexadecylic acid|Hexaectylic acid|Hydrofol|Hydrofol Acid 1690|Hystrene 8016|Hystrene 9016|Industrene 4516|Kortacid 1695|Kortacid 1698|Loxiol EP 278|Lunac P 95|Lunac P 95KC|Lunac P 98|N-Hexadecanoate|n-Hexadecanoic acid|N-Hexadecoate|n-Hexadecoic acid|NSC 5030|Palmitate|Palmitic acid|Palmitic acid 95%|Palmitinate|Palmitinic acid|PALMITINSAEURE|Palmitinsaure|Palmitoate|Palmitoic acid|PAM|Pentadecanecarboxylate|Pentadecanecarboxylic acid|PLM|Prifac 2960|Prifrac 2960|Pristerene 4934|UNII-2V16EO95H1|Univol U332|116860-99-2|212625-86-0|60605-23-4|66321-94-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021602
ARPathway2016 ARPathway2016_1338 Hexadecanoic acid 57-10-3 DTXSID2021602 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCCCC(O)=O Hexadecanoic acid 57-10-3|Hexadecanoic acid|1-hexyldecanoic acid|1-Pentadecanecarboxylic acid|16:00|4-02-00-01157|Acide palmitique|acido palmitico, puro|BRN 0607489|C16|C16 fatty acid|C16:0|Cetylic acid|CH3-[CH2]14-COOH|Edenor C16|EINECS 200-312-9|Emersol 140|Emersol 143|FEMA No. 2832|Glycon P-45|Hexadecanoate|Hexadecanoic acid|Hexadecanoic acid palmitic acid|Hexadecoate|hexadecoic acid|Hexadecylic acid|Hexaectylic acid|Hydrofol|Hydrofol Acid 1690|Hystrene 8016|Hystrene 9016|Industrene 4516|Kortacid 1695|Kortacid 1698|Loxiol EP 278|Lunac P 95|Lunac P 95KC|Lunac P 98|N-Hexadecanoate|n-Hexadecanoic acid|N-Hexadecoate|n-Hexadecoic acid|NSC 5030|Palmitate|Palmitic acid|Palmitic acid 95%|Palmitinate|Palmitinic acid|PALMITINSAEURE|Palmitinsaure|Palmitoate|Palmitoic acid|PAM|Pentadecanecarboxylate|Pentadecanecarboxylic acid|PLM|Prifac 2960|Prifrac 2960|Pristerene 4934|UNII-2V16EO95H1|Univol U332|116860-99-2|212625-86-0|60605-23-4|66321-94-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021602
ARPathway2016 ARPathway2016_1338 Hexadecanoic acid 57-10-3 DTXSID2021602 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCCCC(O)=O Hexadecanoic acid 57-10-3|Hexadecanoic acid|1-hexyldecanoic acid|1-Pentadecanecarboxylic acid|16:00|4-02-00-01157|Acide palmitique|acido palmitico, puro|BRN 0607489|C16|C16 fatty acid|C16:0|Cetylic acid|CH3-[CH2]14-COOH|Edenor C16|EINECS 200-312-9|Emersol 140|Emersol 143|FEMA No. 2832|Glycon P-45|Hexadecanoate|Hexadecanoic acid|Hexadecanoic acid palmitic acid|Hexadecoate|hexadecoic acid|Hexadecylic acid|Hexaectylic acid|Hydrofol|Hydrofol Acid 1690|Hystrene 8016|Hystrene 9016|Industrene 4516|Kortacid 1695|Kortacid 1698|Loxiol EP 278|Lunac P 95|Lunac P 95KC|Lunac P 98|N-Hexadecanoate|n-Hexadecanoic acid|N-Hexadecoate|n-Hexadecoic acid|NSC 5030|Palmitate|Palmitic acid|Palmitic acid 95%|Palmitinate|Palmitinic acid|PALMITINSAEURE|Palmitinsaure|Palmitoate|Palmitoic acid|PAM|Pentadecanecarboxylate|Pentadecanecarboxylic acid|PLM|Prifac 2960|Prifrac 2960|Pristerene 4934|UNII-2V16EO95H1|Univol U332|116860-99-2|212625-86-0|60605-23-4|66321-94-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021602
ARPathway2016 ARPathway2016_1338 Hexadecanoic acid 57-10-3 DTXSID2021602 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCCCC(O)=O Hexadecanoic acid 57-10-3|Hexadecanoic acid|1-hexyldecanoic acid|1-Pentadecanecarboxylic acid|16:00|4-02-00-01157|Acide palmitique|acido palmitico, puro|BRN 0607489|C16|C16 fatty acid|C16:0|Cetylic acid|CH3-[CH2]14-COOH|Edenor C16|EINECS 200-312-9|Emersol 140|Emersol 143|FEMA No. 2832|Glycon P-45|Hexadecanoate|Hexadecanoic acid|Hexadecanoic acid palmitic acid|Hexadecoate|hexadecoic acid|Hexadecylic acid|Hexaectylic acid|Hydrofol|Hydrofol Acid 1690|Hystrene 8016|Hystrene 9016|Industrene 4516|Kortacid 1695|Kortacid 1698|Loxiol EP 278|Lunac P 95|Lunac P 95KC|Lunac P 98|N-Hexadecanoate|n-Hexadecanoic acid|N-Hexadecoate|n-Hexadecoic acid|NSC 5030|Palmitate|Palmitic acid|Palmitic acid 95%|Palmitinate|Palmitinic acid|PALMITINSAEURE|Palmitinsaure|Palmitoate|Palmitoic acid|PAM|Pentadecanecarboxylate|Pentadecanecarboxylic acid|PLM|Prifac 2960|Prifrac 2960|Pristerene 4934|UNII-2V16EO95H1|Univol U332|116860-99-2|212625-86-0|60605-23-4|66321-94-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021602
ERPathway2016 ERPathway2016_458 Hexadecanoic acid 57-10-3 DTXSID2021602 ER Pathway Model, Antagonist AC50 37.6707981237727 uM CCCCCCCCCCCCCCCC(O)=O Hexadecanoic acid 57-10-3|Hexadecanoic acid|1-hexyldecanoic acid|1-Pentadecanecarboxylic acid|16:00|4-02-00-01157|Acide palmitique|acido palmitico, puro|BRN 0607489|C16|C16 fatty acid|C16:0|Cetylic acid|CH3-[CH2]14-COOH|Edenor C16|EINECS 200-312-9|Emersol 140|Emersol 143|FEMA No. 2832|Glycon P-45|Hexadecanoate|Hexadecanoic acid|Hexadecanoic acid palmitic acid|Hexadecoate|hexadecoic acid|Hexadecylic acid|Hexaectylic acid|Hydrofol|Hydrofol Acid 1690|Hystrene 8016|Hystrene 9016|Industrene 4516|Kortacid 1695|Kortacid 1698|Loxiol EP 278|Lunac P 95|Lunac P 95KC|Lunac P 98|N-Hexadecanoate|n-Hexadecanoic acid|N-Hexadecoate|n-Hexadecoic acid|NSC 5030|Palmitate|Palmitic acid|Palmitic acid 95%|Palmitinate|Palmitinic acid|PALMITINSAEURE|Palmitinsaure|Palmitoate|Palmitoic acid|PAM|Pentadecanecarboxylate|Pentadecanecarboxylic acid|PLM|Prifac 2960|Prifrac 2960|Pristerene 4934|UNII-2V16EO95H1|Univol U332|116860-99-2|212625-86-0|60605-23-4|66321-94-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021602
ERPathway2016 ERPathway2016_458 Hexadecanoic acid 57-10-3 DTXSID2021602 ER Pathway Model, Antagonist ACC 49.5166866717265 uM CCCCCCCCCCCCCCCC(O)=O Hexadecanoic acid 57-10-3|Hexadecanoic acid|1-hexyldecanoic acid|1-Pentadecanecarboxylic acid|16:00|4-02-00-01157|Acide palmitique|acido palmitico, puro|BRN 0607489|C16|C16 fatty acid|C16:0|Cetylic acid|CH3-[CH2]14-COOH|Edenor C16|EINECS 200-312-9|Emersol 140|Emersol 143|FEMA No. 2832|Glycon P-45|Hexadecanoate|Hexadecanoic acid|Hexadecanoic acid palmitic acid|Hexadecoate|hexadecoic acid|Hexadecylic acid|Hexaectylic acid|Hydrofol|Hydrofol Acid 1690|Hystrene 8016|Hystrene 9016|Industrene 4516|Kortacid 1695|Kortacid 1698|Loxiol EP 278|Lunac P 95|Lunac P 95KC|Lunac P 98|N-Hexadecanoate|n-Hexadecanoic acid|N-Hexadecoate|n-Hexadecoic acid|NSC 5030|Palmitate|Palmitic acid|Palmitic acid 95%|Palmitinate|Palmitinic acid|PALMITINSAEURE|Palmitinsaure|Palmitoate|Palmitoic acid|PAM|Pentadecanecarboxylate|Pentadecanecarboxylic acid|PLM|Prifac 2960|Prifrac 2960|Pristerene 4934|UNII-2V16EO95H1|Univol U332|116860-99-2|212625-86-0|60605-23-4|66321-94-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021602
ERPathway2016 ERPathway2016_458 Hexadecanoic acid 57-10-3 DTXSID2021602 ER Pathway Model, Agonist Model Score 0.00386 Unitless CCCCCCCCCCCCCCCC(O)=O Hexadecanoic acid 57-10-3|Hexadecanoic acid|1-hexyldecanoic acid|1-Pentadecanecarboxylic acid|16:00|4-02-00-01157|Acide palmitique|acido palmitico, puro|BRN 0607489|C16|C16 fatty acid|C16:0|Cetylic acid|CH3-[CH2]14-COOH|Edenor C16|EINECS 200-312-9|Emersol 140|Emersol 143|FEMA No. 2832|Glycon P-45|Hexadecanoate|Hexadecanoic acid|Hexadecanoic acid palmitic acid|Hexadecoate|hexadecoic acid|Hexadecylic acid|Hexaectylic acid|Hydrofol|Hydrofol Acid 1690|Hystrene 8016|Hystrene 9016|Industrene 4516|Kortacid 1695|Kortacid 1698|Loxiol EP 278|Lunac P 95|Lunac P 95KC|Lunac P 98|N-Hexadecanoate|n-Hexadecanoic acid|N-Hexadecoate|n-Hexadecoic acid|NSC 5030|Palmitate|Palmitic acid|Palmitic acid 95%|Palmitinate|Palmitinic acid|PALMITINSAEURE|Palmitinsaure|Palmitoate|Palmitoic acid|PAM|Pentadecanecarboxylate|Pentadecanecarboxylic acid|PLM|Prifac 2960|Prifrac 2960|Pristerene 4934|UNII-2V16EO95H1|Univol U332|116860-99-2|212625-86-0|60605-23-4|66321-94-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021602
ERPathway2016 ERPathway2016_458 Hexadecanoic acid 57-10-3 DTXSID2021602 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCCCC(O)=O Hexadecanoic acid 57-10-3|Hexadecanoic acid|1-hexyldecanoic acid|1-Pentadecanecarboxylic acid|16:00|4-02-00-01157|Acide palmitique|acido palmitico, puro|BRN 0607489|C16|C16 fatty acid|C16:0|Cetylic acid|CH3-[CH2]14-COOH|Edenor C16|EINECS 200-312-9|Emersol 140|Emersol 143|FEMA No. 2832|Glycon P-45|Hexadecanoate|Hexadecanoic acid|Hexadecanoic acid palmitic acid|Hexadecoate|hexadecoic acid|Hexadecylic acid|Hexaectylic acid|Hydrofol|Hydrofol Acid 1690|Hystrene 8016|Hystrene 9016|Industrene 4516|Kortacid 1695|Kortacid 1698|Loxiol EP 278|Lunac P 95|Lunac P 95KC|Lunac P 98|N-Hexadecanoate|n-Hexadecanoic acid|N-Hexadecoate|n-Hexadecoic acid|NSC 5030|Palmitate|Palmitic acid|Palmitic acid 95%|Palmitinate|Palmitinic acid|PALMITINSAEURE|Palmitinsaure|Palmitoate|Palmitoic acid|PAM|Pentadecanecarboxylate|Pentadecanecarboxylic acid|PLM|Prifac 2960|Prifrac 2960|Pristerene 4934|UNII-2V16EO95H1|Univol U332|116860-99-2|212625-86-0|60605-23-4|66321-94-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021602
ERPathway2016 ERPathway2016_458 Hexadecanoic acid 57-10-3 DTXSID2021602 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCCCC(O)=O Hexadecanoic acid 57-10-3|Hexadecanoic acid|1-hexyldecanoic acid|1-Pentadecanecarboxylic acid|16:00|4-02-00-01157|Acide palmitique|acido palmitico, puro|BRN 0607489|C16|C16 fatty acid|C16:0|Cetylic acid|CH3-[CH2]14-COOH|Edenor C16|EINECS 200-312-9|Emersol 140|Emersol 143|FEMA No. 2832|Glycon P-45|Hexadecanoate|Hexadecanoic acid|Hexadecanoic acid palmitic acid|Hexadecoate|hexadecoic acid|Hexadecylic acid|Hexaectylic acid|Hydrofol|Hydrofol Acid 1690|Hystrene 8016|Hystrene 9016|Industrene 4516|Kortacid 1695|Kortacid 1698|Loxiol EP 278|Lunac P 95|Lunac P 95KC|Lunac P 98|N-Hexadecanoate|n-Hexadecanoic acid|N-Hexadecoate|n-Hexadecoic acid|NSC 5030|Palmitate|Palmitic acid|Palmitic acid 95%|Palmitinate|Palmitinic acid|PALMITINSAEURE|Palmitinsaure|Palmitoate|Palmitoic acid|PAM|Pentadecanecarboxylate|Pentadecanecarboxylic acid|PLM|Prifac 2960|Prifrac 2960|Pristerene 4934|UNII-2V16EO95H1|Univol U332|116860-99-2|212625-86-0|60605-23-4|66321-94-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021602
ERPathway2016 ERPathway2016_458 Hexadecanoic acid 57-10-3 DTXSID2021602 ER Pathway Model, Antagonist Call Active Unitless CCCCCCCCCCCCCCCC(O)=O Hexadecanoic acid 57-10-3|Hexadecanoic acid|1-hexyldecanoic acid|1-Pentadecanecarboxylic acid|16:00|4-02-00-01157|Acide palmitique|acido palmitico, puro|BRN 0607489|C16|C16 fatty acid|C16:0|Cetylic acid|CH3-[CH2]14-COOH|Edenor C16|EINECS 200-312-9|Emersol 140|Emersol 143|FEMA No. 2832|Glycon P-45|Hexadecanoate|Hexadecanoic acid|Hexadecanoic acid palmitic acid|Hexadecoate|hexadecoic acid|Hexadecylic acid|Hexaectylic acid|Hydrofol|Hydrofol Acid 1690|Hystrene 8016|Hystrene 9016|Industrene 4516|Kortacid 1695|Kortacid 1698|Loxiol EP 278|Lunac P 95|Lunac P 95KC|Lunac P 98|N-Hexadecanoate|n-Hexadecanoic acid|N-Hexadecoate|n-Hexadecoic acid|NSC 5030|Palmitate|Palmitic acid|Palmitic acid 95%|Palmitinate|Palmitinic acid|PALMITINSAEURE|Palmitinsaure|Palmitoate|Palmitoic acid|PAM|Pentadecanecarboxylate|Pentadecanecarboxylic acid|PLM|Prifac 2960|Prifrac 2960|Pristerene 4934|UNII-2V16EO95H1|Univol U332|116860-99-2|212625-86-0|60605-23-4|66321-94-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021602
ARPathway2016 ARPathway2016_218 Hexadecyltrimethylammonium bromide 57-09-0 DTXSID5037028 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 7.39616280819649 uM [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C Hexadecyltrimethylammonium bromide 57-09-0|Hexadecyltrimethylammonium bromide|(1-Hexadecyl)trimethylammonium bromide|1-Hexadecaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1)|1-Hexadecyltrimethylammonium bromide|Accelerator DT 3126-1|Acetoquat CTAB|AMMONIUM BROMIDE, N,N-TRIMETHYL-, CETYL|Ammonium, hexadecyltrimethyl-, bromide|Arquad 16/60|BCTA|Bromat|Bromure de cetrimonium|bromuro de cetrimonio|C16TAB|Caswell No. 167|Catinal HTB 70ET|Cee dee|Centimide|Cetab|Cetaflon|Cetarol|Cetavlon bromide|Cetremide|Cetrimide|Cetrimide bp|Cetrimonii bromidum|Cetrimonio bromuro|cetrimonium bromide|Cetrimonium bromide (Cetrimide) - C19H42BrN|Cetrimoniumbromid|Cetyl trimethyl ammonium bromide|CETYL-TRIMETHYL-AMMONIUM-BROMID|Cetyltrimethylammonium bromide|Cirrasol OD|Cirrasol-OD|CTAB|CTABr|Ctmab|CTMB|Cycloton V|EINECS 200-311-3|EPA Pesticide Chemical Code 069117|H 0081|HDTMA-Br|Hexadecanyltrimethylammonium bromide|Hexadecyl trimethyl ammonium bromide|HEXADECYL TRIMETHYLAMMONIUM BROMIDE|Hexadecyltrimethylamine bromide|HTAB||104302-76-3|108779-80-2|12294-25-6|69217-35-2|79631-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037028
ARPathway2016 ARPathway2016_218 Hexadecyltrimethylammonium bromide 57-09-0 DTXSID5037028 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 6.79120632604299 uM [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C Hexadecyltrimethylammonium bromide 57-09-0|Hexadecyltrimethylammonium bromide|(1-Hexadecyl)trimethylammonium bromide|1-Hexadecaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1)|1-Hexadecyltrimethylammonium bromide|Accelerator DT 3126-1|Acetoquat CTAB|AMMONIUM BROMIDE, N,N-TRIMETHYL-, CETYL|Ammonium, hexadecyltrimethyl-, bromide|Arquad 16/60|BCTA|Bromat|Bromure de cetrimonium|bromuro de cetrimonio|C16TAB|Caswell No. 167|Catinal HTB 70ET|Cee dee|Centimide|Cetab|Cetaflon|Cetarol|Cetavlon bromide|Cetremide|Cetrimide|Cetrimide bp|Cetrimonii bromidum|Cetrimonio bromuro|cetrimonium bromide|Cetrimonium bromide (Cetrimide) - C19H42BrN|Cetrimoniumbromid|Cetyl trimethyl ammonium bromide|CETYL-TRIMETHYL-AMMONIUM-BROMID|Cetyltrimethylammonium bromide|Cirrasol OD|Cirrasol-OD|CTAB|CTABr|Ctmab|CTMB|Cycloton V|EINECS 200-311-3|EPA Pesticide Chemical Code 069117|H 0081|HDTMA-Br|Hexadecanyltrimethylammonium bromide|Hexadecyl trimethyl ammonium bromide|HEXADECYL TRIMETHYLAMMONIUM BROMIDE|Hexadecyltrimethylamine bromide|HTAB||104302-76-3|108779-80-2|12294-25-6|69217-35-2|79631-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037028
ARPathway2016 ARPathway2016_218 Hexadecyltrimethylammonium bromide 57-09-0 DTXSID5037028 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.231 Unitless [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C Hexadecyltrimethylammonium bromide 57-09-0|Hexadecyltrimethylammonium bromide|(1-Hexadecyl)trimethylammonium bromide|1-Hexadecaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1)|1-Hexadecyltrimethylammonium bromide|Accelerator DT 3126-1|Acetoquat CTAB|AMMONIUM BROMIDE, N,N-TRIMETHYL-, CETYL|Ammonium, hexadecyltrimethyl-, bromide|Arquad 16/60|BCTA|Bromat|Bromure de cetrimonium|bromuro de cetrimonio|C16TAB|Caswell No. 167|Catinal HTB 70ET|Cee dee|Centimide|Cetab|Cetaflon|Cetarol|Cetavlon bromide|Cetremide|Cetrimide|Cetrimide bp|Cetrimonii bromidum|Cetrimonio bromuro|cetrimonium bromide|Cetrimonium bromide (Cetrimide) - C19H42BrN|Cetrimoniumbromid|Cetyl trimethyl ammonium bromide|CETYL-TRIMETHYL-AMMONIUM-BROMID|Cetyltrimethylammonium bromide|Cirrasol OD|Cirrasol-OD|CTAB|CTABr|Ctmab|CTMB|Cycloton V|EINECS 200-311-3|EPA Pesticide Chemical Code 069117|H 0081|HDTMA-Br|Hexadecanyltrimethylammonium bromide|Hexadecyl trimethyl ammonium bromide|HEXADECYL TRIMETHYLAMMONIUM BROMIDE|Hexadecyltrimethylamine bromide|HTAB||104302-76-3|108779-80-2|12294-25-6|69217-35-2|79631-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037028
ARPathway2016 ARPathway2016_218 Hexadecyltrimethylammonium bromide 57-09-0 DTXSID5037028 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C Hexadecyltrimethylammonium bromide 57-09-0|Hexadecyltrimethylammonium bromide|(1-Hexadecyl)trimethylammonium bromide|1-Hexadecaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1)|1-Hexadecyltrimethylammonium bromide|Accelerator DT 3126-1|Acetoquat CTAB|AMMONIUM BROMIDE, N,N-TRIMETHYL-, CETYL|Ammonium, hexadecyltrimethyl-, bromide|Arquad 16/60|BCTA|Bromat|Bromure de cetrimonium|bromuro de cetrimonio|C16TAB|Caswell No. 167|Catinal HTB 70ET|Cee dee|Centimide|Cetab|Cetaflon|Cetarol|Cetavlon bromide|Cetremide|Cetrimide|Cetrimide bp|Cetrimonii bromidum|Cetrimonio bromuro|cetrimonium bromide|Cetrimonium bromide (Cetrimide) - C19H42BrN|Cetrimoniumbromid|Cetyl trimethyl ammonium bromide|CETYL-TRIMETHYL-AMMONIUM-BROMID|Cetyltrimethylammonium bromide|Cirrasol OD|Cirrasol-OD|CTAB|CTABr|Ctmab|CTMB|Cycloton V|EINECS 200-311-3|EPA Pesticide Chemical Code 069117|H 0081|HDTMA-Br|Hexadecanyltrimethylammonium bromide|Hexadecyl trimethyl ammonium bromide|HEXADECYL TRIMETHYLAMMONIUM BROMIDE|Hexadecyltrimethylamine bromide|HTAB||104302-76-3|108779-80-2|12294-25-6|69217-35-2|79631-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037028
ARPathway2016 ARPathway2016_218 Hexadecyltrimethylammonium bromide 57-09-0 DTXSID5037028 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C Hexadecyltrimethylammonium bromide 57-09-0|Hexadecyltrimethylammonium bromide|(1-Hexadecyl)trimethylammonium bromide|1-Hexadecaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1)|1-Hexadecyltrimethylammonium bromide|Accelerator DT 3126-1|Acetoquat CTAB|AMMONIUM BROMIDE, N,N-TRIMETHYL-, CETYL|Ammonium, hexadecyltrimethyl-, bromide|Arquad 16/60|BCTA|Bromat|Bromure de cetrimonium|bromuro de cetrimonio|C16TAB|Caswell No. 167|Catinal HTB 70ET|Cee dee|Centimide|Cetab|Cetaflon|Cetarol|Cetavlon bromide|Cetremide|Cetrimide|Cetrimide bp|Cetrimonii bromidum|Cetrimonio bromuro|cetrimonium bromide|Cetrimonium bromide (Cetrimide) - C19H42BrN|Cetrimoniumbromid|Cetyl trimethyl ammonium bromide|CETYL-TRIMETHYL-AMMONIUM-BROMID|Cetyltrimethylammonium bromide|Cirrasol OD|Cirrasol-OD|CTAB|CTABr|Ctmab|CTMB|Cycloton V|EINECS 200-311-3|EPA Pesticide Chemical Code 069117|H 0081|HDTMA-Br|Hexadecanyltrimethylammonium bromide|Hexadecyl trimethyl ammonium bromide|HEXADECYL TRIMETHYLAMMONIUM BROMIDE|Hexadecyltrimethylamine bromide|HTAB||104302-76-3|108779-80-2|12294-25-6|69217-35-2|79631-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037028
ARPathway2016 ARPathway2016_218 Hexadecyltrimethylammonium bromide 57-09-0 DTXSID5037028 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C Hexadecyltrimethylammonium bromide 57-09-0|Hexadecyltrimethylammonium bromide|(1-Hexadecyl)trimethylammonium bromide|1-Hexadecaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1)|1-Hexadecyltrimethylammonium bromide|Accelerator DT 3126-1|Acetoquat CTAB|AMMONIUM BROMIDE, N,N-TRIMETHYL-, CETYL|Ammonium, hexadecyltrimethyl-, bromide|Arquad 16/60|BCTA|Bromat|Bromure de cetrimonium|bromuro de cetrimonio|C16TAB|Caswell No. 167|Catinal HTB 70ET|Cee dee|Centimide|Cetab|Cetaflon|Cetarol|Cetavlon bromide|Cetremide|Cetrimide|Cetrimide bp|Cetrimonii bromidum|Cetrimonio bromuro|cetrimonium bromide|Cetrimonium bromide (Cetrimide) - C19H42BrN|Cetrimoniumbromid|Cetyl trimethyl ammonium bromide|CETYL-TRIMETHYL-AMMONIUM-BROMID|Cetyltrimethylammonium bromide|Cirrasol OD|Cirrasol-OD|CTAB|CTABr|Ctmab|CTMB|Cycloton V|EINECS 200-311-3|EPA Pesticide Chemical Code 069117|H 0081|HDTMA-Br|Hexadecanyltrimethylammonium bromide|Hexadecyl trimethyl ammonium bromide|HEXADECYL TRIMETHYLAMMONIUM BROMIDE|Hexadecyltrimethylamine bromide|HTAB||104302-76-3|108779-80-2|12294-25-6|69217-35-2|79631-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037028
ERPathway2016 ERPathway2016_63 Hexadecyltrimethylammonium bromide 57-09-0 DTXSID5037028 ER Pathway Model, Agonist AC50 46.2809395033303 uM [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C Hexadecyltrimethylammonium bromide 57-09-0|Hexadecyltrimethylammonium bromide|(1-Hexadecyl)trimethylammonium bromide|1-Hexadecaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1)|1-Hexadecyltrimethylammonium bromide|Accelerator DT 3126-1|Acetoquat CTAB|AMMONIUM BROMIDE, N,N-TRIMETHYL-, CETYL|Ammonium, hexadecyltrimethyl-, bromide|Arquad 16/60|BCTA|Bromat|Bromure de cetrimonium|bromuro de cetrimonio|C16TAB|Caswell No. 167|Catinal HTB 70ET|Cee dee|Centimide|Cetab|Cetaflon|Cetarol|Cetavlon bromide|Cetremide|Cetrimide|Cetrimide bp|Cetrimonii bromidum|Cetrimonio bromuro|cetrimonium bromide|Cetrimonium bromide (Cetrimide) - C19H42BrN|Cetrimoniumbromid|Cetyl trimethyl ammonium bromide|CETYL-TRIMETHYL-AMMONIUM-BROMID|Cetyltrimethylammonium bromide|Cirrasol OD|Cirrasol-OD|CTAB|CTABr|Ctmab|CTMB|Cycloton V|EINECS 200-311-3|EPA Pesticide Chemical Code 069117|H 0081|HDTMA-Br|Hexadecanyltrimethylammonium bromide|Hexadecyl trimethyl ammonium bromide|HEXADECYL TRIMETHYLAMMONIUM BROMIDE|Hexadecyltrimethylamine bromide|HTAB||104302-76-3|108779-80-2|12294-25-6|69217-35-2|79631-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037028
ERPathway2016 ERPathway2016_63 Hexadecyltrimethylammonium bromide 57-09-0 DTXSID5037028 ER Pathway Model, Agonist ACC 28.5417917073323 uM [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C Hexadecyltrimethylammonium bromide 57-09-0|Hexadecyltrimethylammonium bromide|(1-Hexadecyl)trimethylammonium bromide|1-Hexadecaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1)|1-Hexadecyltrimethylammonium bromide|Accelerator DT 3126-1|Acetoquat CTAB|AMMONIUM BROMIDE, N,N-TRIMETHYL-, CETYL|Ammonium, hexadecyltrimethyl-, bromide|Arquad 16/60|BCTA|Bromat|Bromure de cetrimonium|bromuro de cetrimonio|C16TAB|Caswell No. 167|Catinal HTB 70ET|Cee dee|Centimide|Cetab|Cetaflon|Cetarol|Cetavlon bromide|Cetremide|Cetrimide|Cetrimide bp|Cetrimonii bromidum|Cetrimonio bromuro|cetrimonium bromide|Cetrimonium bromide (Cetrimide) - C19H42BrN|Cetrimoniumbromid|Cetyl trimethyl ammonium bromide|CETYL-TRIMETHYL-AMMONIUM-BROMID|Cetyltrimethylammonium bromide|Cirrasol OD|Cirrasol-OD|CTAB|CTABr|Ctmab|CTMB|Cycloton V|EINECS 200-311-3|EPA Pesticide Chemical Code 069117|H 0081|HDTMA-Br|Hexadecanyltrimethylammonium bromide|Hexadecyl trimethyl ammonium bromide|HEXADECYL TRIMETHYLAMMONIUM BROMIDE|Hexadecyltrimethylamine bromide|HTAB||104302-76-3|108779-80-2|12294-25-6|69217-35-2|79631-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037028
ERPathway2016 ERPathway2016_63 Hexadecyltrimethylammonium bromide 57-09-0 DTXSID5037028 ER Pathway Model, Agonist Model Score 0 Unitless [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C Hexadecyltrimethylammonium bromide 57-09-0|Hexadecyltrimethylammonium bromide|(1-Hexadecyl)trimethylammonium bromide|1-Hexadecaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1)|1-Hexadecyltrimethylammonium bromide|Accelerator DT 3126-1|Acetoquat CTAB|AMMONIUM BROMIDE, N,N-TRIMETHYL-, CETYL|Ammonium, hexadecyltrimethyl-, bromide|Arquad 16/60|BCTA|Bromat|Bromure de cetrimonium|bromuro de cetrimonio|C16TAB|Caswell No. 167|Catinal HTB 70ET|Cee dee|Centimide|Cetab|Cetaflon|Cetarol|Cetavlon bromide|Cetremide|Cetrimide|Cetrimide bp|Cetrimonii bromidum|Cetrimonio bromuro|cetrimonium bromide|Cetrimonium bromide (Cetrimide) - C19H42BrN|Cetrimoniumbromid|Cetyl trimethyl ammonium bromide|CETYL-TRIMETHYL-AMMONIUM-BROMID|Cetyltrimethylammonium bromide|Cirrasol OD|Cirrasol-OD|CTAB|CTABr|Ctmab|CTMB|Cycloton V|EINECS 200-311-3|EPA Pesticide Chemical Code 069117|H 0081|HDTMA-Br|Hexadecanyltrimethylammonium bromide|Hexadecyl trimethyl ammonium bromide|HEXADECYL TRIMETHYLAMMONIUM BROMIDE|Hexadecyltrimethylamine bromide|HTAB||104302-76-3|108779-80-2|12294-25-6|69217-35-2|79631-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037028
ERPathway2016 ERPathway2016_63 Hexadecyltrimethylammonium bromide 57-09-0 DTXSID5037028 ER Pathway Model, Antagonist Model Score 0.0837 Unitless [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C Hexadecyltrimethylammonium bromide 57-09-0|Hexadecyltrimethylammonium bromide|(1-Hexadecyl)trimethylammonium bromide|1-Hexadecaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1)|1-Hexadecyltrimethylammonium bromide|Accelerator DT 3126-1|Acetoquat CTAB|AMMONIUM BROMIDE, N,N-TRIMETHYL-, CETYL|Ammonium, hexadecyltrimethyl-, bromide|Arquad 16/60|BCTA|Bromat|Bromure de cetrimonium|bromuro de cetrimonio|C16TAB|Caswell No. 167|Catinal HTB 70ET|Cee dee|Centimide|Cetab|Cetaflon|Cetarol|Cetavlon bromide|Cetremide|Cetrimide|Cetrimide bp|Cetrimonii bromidum|Cetrimonio bromuro|cetrimonium bromide|Cetrimonium bromide (Cetrimide) - C19H42BrN|Cetrimoniumbromid|Cetyl trimethyl ammonium bromide|CETYL-TRIMETHYL-AMMONIUM-BROMID|Cetyltrimethylammonium bromide|Cirrasol OD|Cirrasol-OD|CTAB|CTABr|Ctmab|CTMB|Cycloton V|EINECS 200-311-3|EPA Pesticide Chemical Code 069117|H 0081|HDTMA-Br|Hexadecanyltrimethylammonium bromide|Hexadecyl trimethyl ammonium bromide|HEXADECYL TRIMETHYLAMMONIUM BROMIDE|Hexadecyltrimethylamine bromide|HTAB||104302-76-3|108779-80-2|12294-25-6|69217-35-2|79631-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037028
ERPathway2016 ERPathway2016_63 Hexadecyltrimethylammonium bromide 57-09-0 DTXSID5037028 ER Pathway Model, Agonist Call Active Unitless [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C Hexadecyltrimethylammonium bromide 57-09-0|Hexadecyltrimethylammonium bromide|(1-Hexadecyl)trimethylammonium bromide|1-Hexadecaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1)|1-Hexadecyltrimethylammonium bromide|Accelerator DT 3126-1|Acetoquat CTAB|AMMONIUM BROMIDE, N,N-TRIMETHYL-, CETYL|Ammonium, hexadecyltrimethyl-, bromide|Arquad 16/60|BCTA|Bromat|Bromure de cetrimonium|bromuro de cetrimonio|C16TAB|Caswell No. 167|Catinal HTB 70ET|Cee dee|Centimide|Cetab|Cetaflon|Cetarol|Cetavlon bromide|Cetremide|Cetrimide|Cetrimide bp|Cetrimonii bromidum|Cetrimonio bromuro|cetrimonium bromide|Cetrimonium bromide (Cetrimide) - C19H42BrN|Cetrimoniumbromid|Cetyl trimethyl ammonium bromide|CETYL-TRIMETHYL-AMMONIUM-BROMID|Cetyltrimethylammonium bromide|Cirrasol OD|Cirrasol-OD|CTAB|CTABr|Ctmab|CTMB|Cycloton V|EINECS 200-311-3|EPA Pesticide Chemical Code 069117|H 0081|HDTMA-Br|Hexadecanyltrimethylammonium bromide|Hexadecyl trimethyl ammonium bromide|HEXADECYL TRIMETHYLAMMONIUM BROMIDE|Hexadecyltrimethylamine bromide|HTAB||104302-76-3|108779-80-2|12294-25-6|69217-35-2|79631-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037028
ERPathway2016 ERPathway2016_63 Hexadecyltrimethylammonium bromide 57-09-0 DTXSID5037028 ER Pathway Model, Antagonist Call Inactive Unitless [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C Hexadecyltrimethylammonium bromide 57-09-0|Hexadecyltrimethylammonium bromide|(1-Hexadecyl)trimethylammonium bromide|1-Hexadecaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide|1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1)|1-Hexadecyltrimethylammonium bromide|Accelerator DT 3126-1|Acetoquat CTAB|AMMONIUM BROMIDE, N,N-TRIMETHYL-, CETYL|Ammonium, hexadecyltrimethyl-, bromide|Arquad 16/60|BCTA|Bromat|Bromure de cetrimonium|bromuro de cetrimonio|C16TAB|Caswell No. 167|Catinal HTB 70ET|Cee dee|Centimide|Cetab|Cetaflon|Cetarol|Cetavlon bromide|Cetremide|Cetrimide|Cetrimide bp|Cetrimonii bromidum|Cetrimonio bromuro|cetrimonium bromide|Cetrimonium bromide (Cetrimide) - C19H42BrN|Cetrimoniumbromid|Cetyl trimethyl ammonium bromide|CETYL-TRIMETHYL-AMMONIUM-BROMID|Cetyltrimethylammonium bromide|Cirrasol OD|Cirrasol-OD|CTAB|CTABr|Ctmab|CTMB|Cycloton V|EINECS 200-311-3|EPA Pesticide Chemical Code 069117|H 0081|HDTMA-Br|Hexadecanyltrimethylammonium bromide|Hexadecyl trimethyl ammonium bromide|HEXADECYL TRIMETHYLAMMONIUM BROMIDE|Hexadecyltrimethylamine bromide|HTAB||104302-76-3|108779-80-2|12294-25-6|69217-35-2|79631-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5037028
ARPathway2016 ARPathway2016_1654 Hexaflumuron 86479-06-3 DTXSID3032620 1.0 A8 AR Pathway Model, Antagonist Model Score 0 Unitless FC(F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl Hexaflumuron 86479-06-3|Hexaflumuron|1-(3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl)-3-(2,6-difluorobenzoyl)urea|EPA PEsticide Chemical Code 118202|Formulation 21 (Sonet)|Hexafluron|N-[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-N'-(2,6-difluorobenzoyl)urea|Recruit|Sentricon|Sonet|UNII-4GW50R449T https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032620
ARPathway2016 ARPathway2016_1654 Hexaflumuron 86479-06-3 DTXSID3032620 1.0 A8 AR Pathway Model, Agonist Model Score 0 Unitless FC(F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl Hexaflumuron 86479-06-3|Hexaflumuron|1-(3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl)-3-(2,6-difluorobenzoyl)urea|EPA PEsticide Chemical Code 118202|Formulation 21 (Sonet)|Hexafluron|N-[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-N'-(2,6-difluorobenzoyl)urea|Recruit|Sentricon|Sonet|UNII-4GW50R449T https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032620
ARPathway2016 ARPathway2016_1654 Hexaflumuron 86479-06-3 DTXSID3032620 1.0 A8 AR Pathway Model, Agonist Call Inactive Unitless FC(F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl Hexaflumuron 86479-06-3|Hexaflumuron|1-(3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl)-3-(2,6-difluorobenzoyl)urea|EPA PEsticide Chemical Code 118202|Formulation 21 (Sonet)|Hexafluron|N-[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-N'-(2,6-difluorobenzoyl)urea|Recruit|Sentricon|Sonet|UNII-4GW50R449T https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032620
ARPathway2016 ARPathway2016_1654 Hexaflumuron 86479-06-3 DTXSID3032620 1.0 A8 AR Pathway Model, Antagonist Call Inactive Unitless FC(F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl Hexaflumuron 86479-06-3|Hexaflumuron|1-(3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl)-3-(2,6-difluorobenzoyl)urea|EPA PEsticide Chemical Code 118202|Formulation 21 (Sonet)|Hexafluron|N-[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-N'-(2,6-difluorobenzoyl)urea|Recruit|Sentricon|Sonet|UNII-4GW50R449T https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032620
ERPathway2016 ERPathway2016_549 Hexaflumuron 86479-06-3 DTXSID3032620 A15 ER Pathway Model, Agonist Model Score 0 Unitless FC(F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl Hexaflumuron 86479-06-3|Hexaflumuron|1-(3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl)-3-(2,6-difluorobenzoyl)urea|EPA PEsticide Chemical Code 118202|Formulation 21 (Sonet)|Hexafluron|N-[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-N'-(2,6-difluorobenzoyl)urea|Recruit|Sentricon|Sonet|UNII-4GW50R449T https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032620
ERPathway2016 ERPathway2016_549 Hexaflumuron 86479-06-3 DTXSID3032620 A15 ER Pathway Model, Antagonist Model Score 0 Unitless FC(F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl Hexaflumuron 86479-06-3|Hexaflumuron|1-(3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl)-3-(2,6-difluorobenzoyl)urea|EPA PEsticide Chemical Code 118202|Formulation 21 (Sonet)|Hexafluron|N-[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-N'-(2,6-difluorobenzoyl)urea|Recruit|Sentricon|Sonet|UNII-4GW50R449T https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032620
ERPathway2016 ERPathway2016_549 Hexaflumuron 86479-06-3 DTXSID3032620 A15 ER Pathway Model, Agonist Call Inactive Unitless FC(F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl Hexaflumuron 86479-06-3|Hexaflumuron|1-(3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl)-3-(2,6-difluorobenzoyl)urea|EPA PEsticide Chemical Code 118202|Formulation 21 (Sonet)|Hexafluron|N-[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-N'-(2,6-difluorobenzoyl)urea|Recruit|Sentricon|Sonet|UNII-4GW50R449T https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032620
ERPathway2016 ERPathway2016_549 Hexaflumuron 86479-06-3 DTXSID3032620 A15 ER Pathway Model, Antagonist Call Inactive Unitless FC(F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl Hexaflumuron 86479-06-3|Hexaflumuron|1-(3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl)-3-(2,6-difluorobenzoyl)urea|EPA PEsticide Chemical Code 118202|Formulation 21 (Sonet)|Hexafluron|N-[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-N'-(2,6-difluorobenzoyl)urea|Recruit|Sentricon|Sonet|UNII-4GW50R449T https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032620
ARPathway2016 ARPathway2016_1832 Hexamethyldisilazane 999-97-3 DTXSID2025395 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C[Si](C)(C)N[Si](C)(C)C Hexamethyldisilazane 999-97-3|Hexamethyldisilazane|((CH3)3Si)2NH|(TMS)2NH|1,1,1-Trimethyl-N-(trimethylsilyl)silanamine|1,1,1,3,3,3-Hexamethyldisilazan|1,1,1,3,3,3-Hexamethyldisilazane|1,1,1,3,3,3-hexametildisilazano|bis(trimethylsilyl)amine|Di(trimethylsilyl)amine|Disilazane, 1,1,1,3,3,3-hexamethyl-|EINECS 213-668-5|Hexamethyldisilylamine|Hexamethylsilazane|HMDS|NSC 93895|Silanamine, 1,1,1-trimethyl-N-(trimethylsilyl)-|Trimethyl-N-(trimethylsilyl)silanamine|UNII-H36C68P1BH|103737-28-6|116638-29-0|127290-38-4|18186-75-9|761458-30-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025395 https://doi.org/10.22427/NTP-DATA-DTXSID2025395
ARPathway2016 ARPathway2016_1832 Hexamethyldisilazane 999-97-3 DTXSID2025395 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C[Si](C)(C)N[Si](C)(C)C Hexamethyldisilazane 999-97-3|Hexamethyldisilazane|((CH3)3Si)2NH|(TMS)2NH|1,1,1-Trimethyl-N-(trimethylsilyl)silanamine|1,1,1,3,3,3-Hexamethyldisilazan|1,1,1,3,3,3-Hexamethyldisilazane|1,1,1,3,3,3-hexametildisilazano|bis(trimethylsilyl)amine|Di(trimethylsilyl)amine|Disilazane, 1,1,1,3,3,3-hexamethyl-|EINECS 213-668-5|Hexamethyldisilylamine|Hexamethylsilazane|HMDS|NSC 93895|Silanamine, 1,1,1-trimethyl-N-(trimethylsilyl)-|Trimethyl-N-(trimethylsilyl)silanamine|UNII-H36C68P1BH|103737-28-6|116638-29-0|127290-38-4|18186-75-9|761458-30-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025395 https://doi.org/10.22427/NTP-DATA-DTXSID2025395
ARPathway2016 ARPathway2016_1832 Hexamethyldisilazane 999-97-3 DTXSID2025395 0.0 AR Pathway Model, Agonist Call Inactive Unitless C[Si](C)(C)N[Si](C)(C)C Hexamethyldisilazane 999-97-3|Hexamethyldisilazane|((CH3)3Si)2NH|(TMS)2NH|1,1,1-Trimethyl-N-(trimethylsilyl)silanamine|1,1,1,3,3,3-Hexamethyldisilazan|1,1,1,3,3,3-Hexamethyldisilazane|1,1,1,3,3,3-hexametildisilazano|bis(trimethylsilyl)amine|Di(trimethylsilyl)amine|Disilazane, 1,1,1,3,3,3-hexamethyl-|EINECS 213-668-5|Hexamethyldisilylamine|Hexamethylsilazane|HMDS|NSC 93895|Silanamine, 1,1,1-trimethyl-N-(trimethylsilyl)-|Trimethyl-N-(trimethylsilyl)silanamine|UNII-H36C68P1BH|103737-28-6|116638-29-0|127290-38-4|18186-75-9|761458-30-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025395 https://doi.org/10.22427/NTP-DATA-DTXSID2025395
ARPathway2016 ARPathway2016_1832 Hexamethyldisilazane 999-97-3 DTXSID2025395 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C[Si](C)(C)N[Si](C)(C)C Hexamethyldisilazane 999-97-3|Hexamethyldisilazane|((CH3)3Si)2NH|(TMS)2NH|1,1,1-Trimethyl-N-(trimethylsilyl)silanamine|1,1,1,3,3,3-Hexamethyldisilazan|1,1,1,3,3,3-Hexamethyldisilazane|1,1,1,3,3,3-hexametildisilazano|bis(trimethylsilyl)amine|Di(trimethylsilyl)amine|Disilazane, 1,1,1,3,3,3-hexamethyl-|EINECS 213-668-5|Hexamethyldisilylamine|Hexamethylsilazane|HMDS|NSC 93895|Silanamine, 1,1,1-trimethyl-N-(trimethylsilyl)-|Trimethyl-N-(trimethylsilyl)silanamine|UNII-H36C68P1BH|103737-28-6|116638-29-0|127290-38-4|18186-75-9|761458-30-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025395 https://doi.org/10.22427/NTP-DATA-DTXSID2025395
ERPathway2016 ERPathway2016_1804 Hexamethyldisilazane 999-97-3 DTXSID2025395 ER Pathway Model, Agonist Model Score 0 Unitless C[Si](C)(C)N[Si](C)(C)C Hexamethyldisilazane 999-97-3|Hexamethyldisilazane|((CH3)3Si)2NH|(TMS)2NH|1,1,1-Trimethyl-N-(trimethylsilyl)silanamine|1,1,1,3,3,3-Hexamethyldisilazan|1,1,1,3,3,3-Hexamethyldisilazane|1,1,1,3,3,3-hexametildisilazano|bis(trimethylsilyl)amine|Di(trimethylsilyl)amine|Disilazane, 1,1,1,3,3,3-hexamethyl-|EINECS 213-668-5|Hexamethyldisilylamine|Hexamethylsilazane|HMDS|NSC 93895|Silanamine, 1,1,1-trimethyl-N-(trimethylsilyl)-|Trimethyl-N-(trimethylsilyl)silanamine|UNII-H36C68P1BH|103737-28-6|116638-29-0|127290-38-4|18186-75-9|761458-30-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025395 https://doi.org/10.22427/NTP-DATA-DTXSID2025395
ERPathway2016 ERPathway2016_1804 Hexamethyldisilazane 999-97-3 DTXSID2025395 ER Pathway Model, Antagonist Model Score 0 Unitless C[Si](C)(C)N[Si](C)(C)C Hexamethyldisilazane 999-97-3|Hexamethyldisilazane|((CH3)3Si)2NH|(TMS)2NH|1,1,1-Trimethyl-N-(trimethylsilyl)silanamine|1,1,1,3,3,3-Hexamethyldisilazan|1,1,1,3,3,3-Hexamethyldisilazane|1,1,1,3,3,3-hexametildisilazano|bis(trimethylsilyl)amine|Di(trimethylsilyl)amine|Disilazane, 1,1,1,3,3,3-hexamethyl-|EINECS 213-668-5|Hexamethyldisilylamine|Hexamethylsilazane|HMDS|NSC 93895|Silanamine, 1,1,1-trimethyl-N-(trimethylsilyl)-|Trimethyl-N-(trimethylsilyl)silanamine|UNII-H36C68P1BH|103737-28-6|116638-29-0|127290-38-4|18186-75-9|761458-30-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025395 https://doi.org/10.22427/NTP-DATA-DTXSID2025395
ERPathway2016 ERPathway2016_1804 Hexamethyldisilazane 999-97-3 DTXSID2025395 ER Pathway Model, Agonist Call Inactive Unitless C[Si](C)(C)N[Si](C)(C)C Hexamethyldisilazane 999-97-3|Hexamethyldisilazane|((CH3)3Si)2NH|(TMS)2NH|1,1,1-Trimethyl-N-(trimethylsilyl)silanamine|1,1,1,3,3,3-Hexamethyldisilazan|1,1,1,3,3,3-Hexamethyldisilazane|1,1,1,3,3,3-hexametildisilazano|bis(trimethylsilyl)amine|Di(trimethylsilyl)amine|Disilazane, 1,1,1,3,3,3-hexamethyl-|EINECS 213-668-5|Hexamethyldisilylamine|Hexamethylsilazane|HMDS|NSC 93895|Silanamine, 1,1,1-trimethyl-N-(trimethylsilyl)-|Trimethyl-N-(trimethylsilyl)silanamine|UNII-H36C68P1BH|103737-28-6|116638-29-0|127290-38-4|18186-75-9|761458-30-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025395 https://doi.org/10.22427/NTP-DATA-DTXSID2025395
ERPathway2016 ERPathway2016_1804 Hexamethyldisilazane 999-97-3 DTXSID2025395 ER Pathway Model, Antagonist Call Inactive Unitless C[Si](C)(C)N[Si](C)(C)C Hexamethyldisilazane 999-97-3|Hexamethyldisilazane|((CH3)3Si)2NH|(TMS)2NH|1,1,1-Trimethyl-N-(trimethylsilyl)silanamine|1,1,1,3,3,3-Hexamethyldisilazan|1,1,1,3,3,3-Hexamethyldisilazane|1,1,1,3,3,3-hexametildisilazano|bis(trimethylsilyl)amine|Di(trimethylsilyl)amine|Disilazane, 1,1,1,3,3,3-hexamethyl-|EINECS 213-668-5|Hexamethyldisilylamine|Hexamethylsilazane|HMDS|NSC 93895|Silanamine, 1,1,1-trimethyl-N-(trimethylsilyl)-|Trimethyl-N-(trimethylsilyl)silanamine|UNII-H36C68P1BH|103737-28-6|116638-29-0|127290-38-4|18186-75-9|761458-30-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025395 https://doi.org/10.22427/NTP-DATA-DTXSID2025395
ARPathway2016 ARPathway2016_494 Hexamethyldisiloxane 107-46-0 DTXSID4026769 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C[Si](C)(C)O[Si](C)(C)C Hexamethyldisiloxane 107-46-0|Hexamethyldisiloxane|((CH3)3Si)2O|Belsil DM 0.65|Bis-trimethylsilyl oxide|Bis(trimethylsilyl) ether|Bis(trimethylsilyl) oxide|Bis(trimethylsilyl)ether|Bis(trimethylsilyl)oxide|Bistrimethylsilyl ether|DC 0.65cs200|Disiloxane, 1,1,1,3,3,3-hexamethyl-|Disiloxane, hexamethyl-|Dow Corning 200/0.65|Dow Corning OS 10|EINECS 203-492-7|Ethoxytrimethylsilane-hexamethyldisiloxane copolymer|Fluka AG|Glipoxan|Hexamethyl disiloxane|Hexamethyldisiloxan|hexametildisiloxano|HMDSO|NSC 43346|Oxybis(trimethylsilane)|SH 200-0.65CS|SH 200-0.65cSt|Silane, oxybis(trimethyl-|UNII-D7M4659BPU|Volasil DM 0.65|Volasil DM 0.65SP|864719-97-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026769
ARPathway2016 ARPathway2016_494 Hexamethyldisiloxane 107-46-0 DTXSID4026769 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C[Si](C)(C)O[Si](C)(C)C Hexamethyldisiloxane 107-46-0|Hexamethyldisiloxane|((CH3)3Si)2O|Belsil DM 0.65|Bis-trimethylsilyl oxide|Bis(trimethylsilyl) ether|Bis(trimethylsilyl) oxide|Bis(trimethylsilyl)ether|Bis(trimethylsilyl)oxide|Bistrimethylsilyl ether|DC 0.65cs200|Disiloxane, 1,1,1,3,3,3-hexamethyl-|Disiloxane, hexamethyl-|Dow Corning 200/0.65|Dow Corning OS 10|EINECS 203-492-7|Ethoxytrimethylsilane-hexamethyldisiloxane copolymer|Fluka AG|Glipoxan|Hexamethyl disiloxane|Hexamethyldisiloxan|hexametildisiloxano|HMDSO|NSC 43346|Oxybis(trimethylsilane)|SH 200-0.65CS|SH 200-0.65cSt|Silane, oxybis(trimethyl-|UNII-D7M4659BPU|Volasil DM 0.65|Volasil DM 0.65SP|864719-97-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026769
ARPathway2016 ARPathway2016_494 Hexamethyldisiloxane 107-46-0 DTXSID4026769 0.0 AR Pathway Model, Agonist Call Inactive Unitless C[Si](C)(C)O[Si](C)(C)C Hexamethyldisiloxane 107-46-0|Hexamethyldisiloxane|((CH3)3Si)2O|Belsil DM 0.65|Bis-trimethylsilyl oxide|Bis(trimethylsilyl) ether|Bis(trimethylsilyl) oxide|Bis(trimethylsilyl)ether|Bis(trimethylsilyl)oxide|Bistrimethylsilyl ether|DC 0.65cs200|Disiloxane, 1,1,1,3,3,3-hexamethyl-|Disiloxane, hexamethyl-|Dow Corning 200/0.65|Dow Corning OS 10|EINECS 203-492-7|Ethoxytrimethylsilane-hexamethyldisiloxane copolymer|Fluka AG|Glipoxan|Hexamethyl disiloxane|Hexamethyldisiloxan|hexametildisiloxano|HMDSO|NSC 43346|Oxybis(trimethylsilane)|SH 200-0.65CS|SH 200-0.65cSt|Silane, oxybis(trimethyl-|UNII-D7M4659BPU|Volasil DM 0.65|Volasil DM 0.65SP|864719-97-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026769
ARPathway2016 ARPathway2016_494 Hexamethyldisiloxane 107-46-0 DTXSID4026769 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C[Si](C)(C)O[Si](C)(C)C Hexamethyldisiloxane 107-46-0|Hexamethyldisiloxane|((CH3)3Si)2O|Belsil DM 0.65|Bis-trimethylsilyl oxide|Bis(trimethylsilyl) ether|Bis(trimethylsilyl) oxide|Bis(trimethylsilyl)ether|Bis(trimethylsilyl)oxide|Bistrimethylsilyl ether|DC 0.65cs200|Disiloxane, 1,1,1,3,3,3-hexamethyl-|Disiloxane, hexamethyl-|Dow Corning 200/0.65|Dow Corning OS 10|EINECS 203-492-7|Ethoxytrimethylsilane-hexamethyldisiloxane copolymer|Fluka AG|Glipoxan|Hexamethyl disiloxane|Hexamethyldisiloxan|hexametildisiloxano|HMDSO|NSC 43346|Oxybis(trimethylsilane)|SH 200-0.65CS|SH 200-0.65cSt|Silane, oxybis(trimethyl-|UNII-D7M4659BPU|Volasil DM 0.65|Volasil DM 0.65SP|864719-97-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026769
ERPathway2016 ERPathway2016_1100 Hexamethyldisiloxane 107-46-0 DTXSID4026769 ER Pathway Model, Agonist Model Score 0 Unitless C[Si](C)(C)O[Si](C)(C)C Hexamethyldisiloxane 107-46-0|Hexamethyldisiloxane|((CH3)3Si)2O|Belsil DM 0.65|Bis-trimethylsilyl oxide|Bis(trimethylsilyl) ether|Bis(trimethylsilyl) oxide|Bis(trimethylsilyl)ether|Bis(trimethylsilyl)oxide|Bistrimethylsilyl ether|DC 0.65cs200|Disiloxane, 1,1,1,3,3,3-hexamethyl-|Disiloxane, hexamethyl-|Dow Corning 200/0.65|Dow Corning OS 10|EINECS 203-492-7|Ethoxytrimethylsilane-hexamethyldisiloxane copolymer|Fluka AG|Glipoxan|Hexamethyl disiloxane|Hexamethyldisiloxan|hexametildisiloxano|HMDSO|NSC 43346|Oxybis(trimethylsilane)|SH 200-0.65CS|SH 200-0.65cSt|Silane, oxybis(trimethyl-|UNII-D7M4659BPU|Volasil DM 0.65|Volasil DM 0.65SP|864719-97-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026769
ERPathway2016 ERPathway2016_1100 Hexamethyldisiloxane 107-46-0 DTXSID4026769 ER Pathway Model, Antagonist Model Score 0 Unitless C[Si](C)(C)O[Si](C)(C)C Hexamethyldisiloxane 107-46-0|Hexamethyldisiloxane|((CH3)3Si)2O|Belsil DM 0.65|Bis-trimethylsilyl oxide|Bis(trimethylsilyl) ether|Bis(trimethylsilyl) oxide|Bis(trimethylsilyl)ether|Bis(trimethylsilyl)oxide|Bistrimethylsilyl ether|DC 0.65cs200|Disiloxane, 1,1,1,3,3,3-hexamethyl-|Disiloxane, hexamethyl-|Dow Corning 200/0.65|Dow Corning OS 10|EINECS 203-492-7|Ethoxytrimethylsilane-hexamethyldisiloxane copolymer|Fluka AG|Glipoxan|Hexamethyl disiloxane|Hexamethyldisiloxan|hexametildisiloxano|HMDSO|NSC 43346|Oxybis(trimethylsilane)|SH 200-0.65CS|SH 200-0.65cSt|Silane, oxybis(trimethyl-|UNII-D7M4659BPU|Volasil DM 0.65|Volasil DM 0.65SP|864719-97-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026769
ERPathway2016 ERPathway2016_1100 Hexamethyldisiloxane 107-46-0 DTXSID4026769 ER Pathway Model, Agonist Call Inactive Unitless C[Si](C)(C)O[Si](C)(C)C Hexamethyldisiloxane 107-46-0|Hexamethyldisiloxane|((CH3)3Si)2O|Belsil DM 0.65|Bis-trimethylsilyl oxide|Bis(trimethylsilyl) ether|Bis(trimethylsilyl) oxide|Bis(trimethylsilyl)ether|Bis(trimethylsilyl)oxide|Bistrimethylsilyl ether|DC 0.65cs200|Disiloxane, 1,1,1,3,3,3-hexamethyl-|Disiloxane, hexamethyl-|Dow Corning 200/0.65|Dow Corning OS 10|EINECS 203-492-7|Ethoxytrimethylsilane-hexamethyldisiloxane copolymer|Fluka AG|Glipoxan|Hexamethyl disiloxane|Hexamethyldisiloxan|hexametildisiloxano|HMDSO|NSC 43346|Oxybis(trimethylsilane)|SH 200-0.65CS|SH 200-0.65cSt|Silane, oxybis(trimethyl-|UNII-D7M4659BPU|Volasil DM 0.65|Volasil DM 0.65SP|864719-97-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026769
ERPathway2016 ERPathway2016_1100 Hexamethyldisiloxane 107-46-0 DTXSID4026769 ER Pathway Model, Antagonist Call Inactive Unitless C[Si](C)(C)O[Si](C)(C)C Hexamethyldisiloxane 107-46-0|Hexamethyldisiloxane|((CH3)3Si)2O|Belsil DM 0.65|Bis-trimethylsilyl oxide|Bis(trimethylsilyl) ether|Bis(trimethylsilyl) oxide|Bis(trimethylsilyl)ether|Bis(trimethylsilyl)oxide|Bistrimethylsilyl ether|DC 0.65cs200|Disiloxane, 1,1,1,3,3,3-hexamethyl-|Disiloxane, hexamethyl-|Dow Corning 200/0.65|Dow Corning OS 10|EINECS 203-492-7|Ethoxytrimethylsilane-hexamethyldisiloxane copolymer|Fluka AG|Glipoxan|Hexamethyl disiloxane|Hexamethyldisiloxan|hexametildisiloxano|HMDSO|NSC 43346|Oxybis(trimethylsilane)|SH 200-0.65CS|SH 200-0.65cSt|Silane, oxybis(trimethyl-|UNII-D7M4659BPU|Volasil DM 0.65|Volasil DM 0.65SP|864719-97-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026769
ARPathway2016 ARPathway2016_571 Hexamethyleneimine 111-49-9 DTXSID1026879 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1CCCNCC1 Hexamethyleneimine 111-49-9|Hexamethyleneimine|1-Azacycloheptane|1-Azacycloheptane (Hexamethyleneimine) (1H-Azepine, hexahydro-)|1H-Azepine, hexahydro-|5-20-04-00003|Azacycloheptane|Azepane|Azepine, hexahydro-|BRN 0001084|Cycloheptane, 1-aza-|Cyclohexamethylenimine|EINECS 203-875-9|Hexahydro-1H-azepine|Hexahydroazepine|Hexamethylene imine|HEXAMETHYLENIMIN|Hexamethylenimine|Homopiperidine|NSC 16236|perhidroazepina|Perhydroazepin|Perhydroazepine|UN 2493|UNII-CZD076G73R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026879 https://doi.org/10.22427/NTP-DATA-DTXSID1026879
ARPathway2016 ARPathway2016_571 Hexamethyleneimine 111-49-9 DTXSID1026879 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1CCCNCC1 Hexamethyleneimine 111-49-9|Hexamethyleneimine|1-Azacycloheptane|1-Azacycloheptane (Hexamethyleneimine) (1H-Azepine, hexahydro-)|1H-Azepine, hexahydro-|5-20-04-00003|Azacycloheptane|Azepane|Azepine, hexahydro-|BRN 0001084|Cycloheptane, 1-aza-|Cyclohexamethylenimine|EINECS 203-875-9|Hexahydro-1H-azepine|Hexahydroazepine|Hexamethylene imine|HEXAMETHYLENIMIN|Hexamethylenimine|Homopiperidine|NSC 16236|perhidroazepina|Perhydroazepin|Perhydroazepine|UN 2493|UNII-CZD076G73R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026879 https://doi.org/10.22427/NTP-DATA-DTXSID1026879
ARPathway2016 ARPathway2016_571 Hexamethyleneimine 111-49-9 DTXSID1026879 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1CCCNCC1 Hexamethyleneimine 111-49-9|Hexamethyleneimine|1-Azacycloheptane|1-Azacycloheptane (Hexamethyleneimine) (1H-Azepine, hexahydro-)|1H-Azepine, hexahydro-|5-20-04-00003|Azacycloheptane|Azepane|Azepine, hexahydro-|BRN 0001084|Cycloheptane, 1-aza-|Cyclohexamethylenimine|EINECS 203-875-9|Hexahydro-1H-azepine|Hexahydroazepine|Hexamethylene imine|HEXAMETHYLENIMIN|Hexamethylenimine|Homopiperidine|NSC 16236|perhidroazepina|Perhydroazepin|Perhydroazepine|UN 2493|UNII-CZD076G73R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026879 https://doi.org/10.22427/NTP-DATA-DTXSID1026879
ARPathway2016 ARPathway2016_571 Hexamethyleneimine 111-49-9 DTXSID1026879 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1CCCNCC1 Hexamethyleneimine 111-49-9|Hexamethyleneimine|1-Azacycloheptane|1-Azacycloheptane (Hexamethyleneimine) (1H-Azepine, hexahydro-)|1H-Azepine, hexahydro-|5-20-04-00003|Azacycloheptane|Azepane|Azepine, hexahydro-|BRN 0001084|Cycloheptane, 1-aza-|Cyclohexamethylenimine|EINECS 203-875-9|Hexahydro-1H-azepine|Hexahydroazepine|Hexamethylene imine|HEXAMETHYLENIMIN|Hexamethylenimine|Homopiperidine|NSC 16236|perhidroazepina|Perhydroazepin|Perhydroazepine|UN 2493|UNII-CZD076G73R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026879 https://doi.org/10.22427/NTP-DATA-DTXSID1026879
ERPathway2016 ERPathway2016_1152 Hexamethyleneimine 111-49-9 DTXSID1026879 ER Pathway Model, Agonist Model Score 0 Unitless C1CCCNCC1 Hexamethyleneimine 111-49-9|Hexamethyleneimine|1-Azacycloheptane|1-Azacycloheptane (Hexamethyleneimine) (1H-Azepine, hexahydro-)|1H-Azepine, hexahydro-|5-20-04-00003|Azacycloheptane|Azepane|Azepine, hexahydro-|BRN 0001084|Cycloheptane, 1-aza-|Cyclohexamethylenimine|EINECS 203-875-9|Hexahydro-1H-azepine|Hexahydroazepine|Hexamethylene imine|HEXAMETHYLENIMIN|Hexamethylenimine|Homopiperidine|NSC 16236|perhidroazepina|Perhydroazepin|Perhydroazepine|UN 2493|UNII-CZD076G73R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026879 https://doi.org/10.22427/NTP-DATA-DTXSID1026879
ERPathway2016 ERPathway2016_1152 Hexamethyleneimine 111-49-9 DTXSID1026879 ER Pathway Model, Antagonist Model Score 0 Unitless C1CCCNCC1 Hexamethyleneimine 111-49-9|Hexamethyleneimine|1-Azacycloheptane|1-Azacycloheptane (Hexamethyleneimine) (1H-Azepine, hexahydro-)|1H-Azepine, hexahydro-|5-20-04-00003|Azacycloheptane|Azepane|Azepine, hexahydro-|BRN 0001084|Cycloheptane, 1-aza-|Cyclohexamethylenimine|EINECS 203-875-9|Hexahydro-1H-azepine|Hexahydroazepine|Hexamethylene imine|HEXAMETHYLENIMIN|Hexamethylenimine|Homopiperidine|NSC 16236|perhidroazepina|Perhydroazepin|Perhydroazepine|UN 2493|UNII-CZD076G73R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026879 https://doi.org/10.22427/NTP-DATA-DTXSID1026879
ERPathway2016 ERPathway2016_1152 Hexamethyleneimine 111-49-9 DTXSID1026879 ER Pathway Model, Agonist Call Inactive Unitless C1CCCNCC1 Hexamethyleneimine 111-49-9|Hexamethyleneimine|1-Azacycloheptane|1-Azacycloheptane (Hexamethyleneimine) (1H-Azepine, hexahydro-)|1H-Azepine, hexahydro-|5-20-04-00003|Azacycloheptane|Azepane|Azepine, hexahydro-|BRN 0001084|Cycloheptane, 1-aza-|Cyclohexamethylenimine|EINECS 203-875-9|Hexahydro-1H-azepine|Hexahydroazepine|Hexamethylene imine|HEXAMETHYLENIMIN|Hexamethylenimine|Homopiperidine|NSC 16236|perhidroazepina|Perhydroazepin|Perhydroazepine|UN 2493|UNII-CZD076G73R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026879 https://doi.org/10.22427/NTP-DATA-DTXSID1026879
ERPathway2016 ERPathway2016_1152 Hexamethyleneimine 111-49-9 DTXSID1026879 ER Pathway Model, Antagonist Call Inactive Unitless C1CCCNCC1 Hexamethyleneimine 111-49-9|Hexamethyleneimine|1-Azacycloheptane|1-Azacycloheptane (Hexamethyleneimine) (1H-Azepine, hexahydro-)|1H-Azepine, hexahydro-|5-20-04-00003|Azacycloheptane|Azepane|Azepine, hexahydro-|BRN 0001084|Cycloheptane, 1-aza-|Cyclohexamethylenimine|EINECS 203-875-9|Hexahydro-1H-azepine|Hexahydroazepine|Hexamethylene imine|HEXAMETHYLENIMIN|Hexamethylenimine|Homopiperidine|NSC 16236|perhidroazepina|Perhydroazepin|Perhydroazepine|UN 2493|UNII-CZD076G73R https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026879 https://doi.org/10.22427/NTP-DATA-DTXSID1026879
ARPathway2016 ARPathway2016_1015 Hexane-1,6-diyl dibenzoate 22915-73-7 DTXSID0047539 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C(OCCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Hexane-1,6-diyl dibenzoate 22915-73-7|Hexane-1,6-diyl dibenzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047539
ARPathway2016 ARPathway2016_1015 Hexane-1,6-diyl dibenzoate 22915-73-7 DTXSID0047539 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C(OCCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Hexane-1,6-diyl dibenzoate 22915-73-7|Hexane-1,6-diyl dibenzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047539
ARPathway2016 ARPathway2016_1015 Hexane-1,6-diyl dibenzoate 22915-73-7 DTXSID0047539 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C(OCCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Hexane-1,6-diyl dibenzoate 22915-73-7|Hexane-1,6-diyl dibenzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047539
ARPathway2016 ARPathway2016_1015 Hexane-1,6-diyl dibenzoate 22915-73-7 DTXSID0047539 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C(OCCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Hexane-1,6-diyl dibenzoate 22915-73-7|Hexane-1,6-diyl dibenzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047539
ERPathway2016 ERPathway2016_466 Hexane-1,6-diyl dibenzoate 22915-73-7 DTXSID0047539 ER Pathway Model, Antagonist AC50 40.0592173251435 uM O=C(OCCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Hexane-1,6-diyl dibenzoate 22915-73-7|Hexane-1,6-diyl dibenzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047539
ERPathway2016 ERPathway2016_466 Hexane-1,6-diyl dibenzoate 22915-73-7 DTXSID0047539 ER Pathway Model, Antagonist ACC 42.6273864344853 uM O=C(OCCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Hexane-1,6-diyl dibenzoate 22915-73-7|Hexane-1,6-diyl dibenzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047539
ERPathway2016 ERPathway2016_466 Hexane-1,6-diyl dibenzoate 22915-73-7 DTXSID0047539 ER Pathway Model, Agonist Model Score 0.00322 Unitless O=C(OCCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Hexane-1,6-diyl dibenzoate 22915-73-7|Hexane-1,6-diyl dibenzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047539
ERPathway2016 ERPathway2016_466 Hexane-1,6-diyl dibenzoate 22915-73-7 DTXSID0047539 ER Pathway Model, Antagonist Model Score 0 Unitless O=C(OCCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Hexane-1,6-diyl dibenzoate 22915-73-7|Hexane-1,6-diyl dibenzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047539
ERPathway2016 ERPathway2016_466 Hexane-1,6-diyl dibenzoate 22915-73-7 DTXSID0047539 ER Pathway Model, Agonist Call Inactive Unitless O=C(OCCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Hexane-1,6-diyl dibenzoate 22915-73-7|Hexane-1,6-diyl dibenzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047539
ERPathway2016 ERPathway2016_466 Hexane-1,6-diyl dibenzoate 22915-73-7 DTXSID0047539 ER Pathway Model, Antagonist Call Active Unitless O=C(OCCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Hexane-1,6-diyl dibenzoate 22915-73-7|Hexane-1,6-diyl dibenzoate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047539
ARPathway2016 ARPathway2016_574 Hexanedinitrile 111-69-3 DTXSID3021936 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless N#CCCCCC#N Hexanedinitrile 111-69-3|Hexanedinitrile|1,4-Dicyanobutane|4-02-00-01975|Adipic acid dinitrile|Adipic acid nitrile|Adipic dinitrile|ADIPINSAEUREDINITRIL|Adipodinitrile|Adiponitril|Adiponitrile|adiponitrilo|Adipyldinitrile|BRN 1740005|BUTANE, 1,4-DICYANO-|Butanedicarbonitrile|EINECS 203-896-3|Hexanedioic acid, dinitrile|Nitrile adipico|NSC 7617|Tetramethylene cyanide|Tetramethylene dicyanide|UN 2205|UNII-VK98I9YW5M|55462-97-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021936 https://doi.org/10.22427/NTP-DATA-DTXSID3021936
ARPathway2016 ARPathway2016_574 Hexanedinitrile 111-69-3 DTXSID3021936 0.0 AR Pathway Model, Agonist Model Score 0 Unitless N#CCCCCC#N Hexanedinitrile 111-69-3|Hexanedinitrile|1,4-Dicyanobutane|4-02-00-01975|Adipic acid dinitrile|Adipic acid nitrile|Adipic dinitrile|ADIPINSAEUREDINITRIL|Adipodinitrile|Adiponitril|Adiponitrile|adiponitrilo|Adipyldinitrile|BRN 1740005|BUTANE, 1,4-DICYANO-|Butanedicarbonitrile|EINECS 203-896-3|Hexanedioic acid, dinitrile|Nitrile adipico|NSC 7617|Tetramethylene cyanide|Tetramethylene dicyanide|UN 2205|UNII-VK98I9YW5M|55462-97-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021936 https://doi.org/10.22427/NTP-DATA-DTXSID3021936
ARPathway2016 ARPathway2016_574 Hexanedinitrile 111-69-3 DTXSID3021936 0.0 AR Pathway Model, Agonist Call Inactive Unitless N#CCCCCC#N Hexanedinitrile 111-69-3|Hexanedinitrile|1,4-Dicyanobutane|4-02-00-01975|Adipic acid dinitrile|Adipic acid nitrile|Adipic dinitrile|ADIPINSAEUREDINITRIL|Adipodinitrile|Adiponitril|Adiponitrile|adiponitrilo|Adipyldinitrile|BRN 1740005|BUTANE, 1,4-DICYANO-|Butanedicarbonitrile|EINECS 203-896-3|Hexanedioic acid, dinitrile|Nitrile adipico|NSC 7617|Tetramethylene cyanide|Tetramethylene dicyanide|UN 2205|UNII-VK98I9YW5M|55462-97-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021936 https://doi.org/10.22427/NTP-DATA-DTXSID3021936
ARPathway2016 ARPathway2016_574 Hexanedinitrile 111-69-3 DTXSID3021936 0.0 AR Pathway Model, Antagonist Call Inactive Unitless N#CCCCCC#N Hexanedinitrile 111-69-3|Hexanedinitrile|1,4-Dicyanobutane|4-02-00-01975|Adipic acid dinitrile|Adipic acid nitrile|Adipic dinitrile|ADIPINSAEUREDINITRIL|Adipodinitrile|Adiponitril|Adiponitrile|adiponitrilo|Adipyldinitrile|BRN 1740005|BUTANE, 1,4-DICYANO-|Butanedicarbonitrile|EINECS 203-896-3|Hexanedioic acid, dinitrile|Nitrile adipico|NSC 7617|Tetramethylene cyanide|Tetramethylene dicyanide|UN 2205|UNII-VK98I9YW5M|55462-97-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021936 https://doi.org/10.22427/NTP-DATA-DTXSID3021936
ERPathway2016 ERPathway2016_1155 Hexanedinitrile 111-69-3 DTXSID3021936 ER Pathway Model, Agonist Model Score 0 Unitless N#CCCCCC#N Hexanedinitrile 111-69-3|Hexanedinitrile|1,4-Dicyanobutane|4-02-00-01975|Adipic acid dinitrile|Adipic acid nitrile|Adipic dinitrile|ADIPINSAEUREDINITRIL|Adipodinitrile|Adiponitril|Adiponitrile|adiponitrilo|Adipyldinitrile|BRN 1740005|BUTANE, 1,4-DICYANO-|Butanedicarbonitrile|EINECS 203-896-3|Hexanedioic acid, dinitrile|Nitrile adipico|NSC 7617|Tetramethylene cyanide|Tetramethylene dicyanide|UN 2205|UNII-VK98I9YW5M|55462-97-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021936 https://doi.org/10.22427/NTP-DATA-DTXSID3021936
ERPathway2016 ERPathway2016_1155 Hexanedinitrile 111-69-3 DTXSID3021936 ER Pathway Model, Antagonist Model Score 0 Unitless N#CCCCCC#N Hexanedinitrile 111-69-3|Hexanedinitrile|1,4-Dicyanobutane|4-02-00-01975|Adipic acid dinitrile|Adipic acid nitrile|Adipic dinitrile|ADIPINSAEUREDINITRIL|Adipodinitrile|Adiponitril|Adiponitrile|adiponitrilo|Adipyldinitrile|BRN 1740005|BUTANE, 1,4-DICYANO-|Butanedicarbonitrile|EINECS 203-896-3|Hexanedioic acid, dinitrile|Nitrile adipico|NSC 7617|Tetramethylene cyanide|Tetramethylene dicyanide|UN 2205|UNII-VK98I9YW5M|55462-97-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021936 https://doi.org/10.22427/NTP-DATA-DTXSID3021936
ERPathway2016 ERPathway2016_1155 Hexanedinitrile 111-69-3 DTXSID3021936 ER Pathway Model, Agonist Call Inactive Unitless N#CCCCCC#N Hexanedinitrile 111-69-3|Hexanedinitrile|1,4-Dicyanobutane|4-02-00-01975|Adipic acid dinitrile|Adipic acid nitrile|Adipic dinitrile|ADIPINSAEUREDINITRIL|Adipodinitrile|Adiponitril|Adiponitrile|adiponitrilo|Adipyldinitrile|BRN 1740005|BUTANE, 1,4-DICYANO-|Butanedicarbonitrile|EINECS 203-896-3|Hexanedioic acid, dinitrile|Nitrile adipico|NSC 7617|Tetramethylene cyanide|Tetramethylene dicyanide|UN 2205|UNII-VK98I9YW5M|55462-97-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021936 https://doi.org/10.22427/NTP-DATA-DTXSID3021936
ERPathway2016 ERPathway2016_1155 Hexanedinitrile 111-69-3 DTXSID3021936 ER Pathway Model, Antagonist Call Inactive Unitless N#CCCCCC#N Hexanedinitrile 111-69-3|Hexanedinitrile|1,4-Dicyanobutane|4-02-00-01975|Adipic acid dinitrile|Adipic acid nitrile|Adipic dinitrile|ADIPINSAEUREDINITRIL|Adipodinitrile|Adiponitril|Adiponitrile|adiponitrilo|Adipyldinitrile|BRN 1740005|BUTANE, 1,4-DICYANO-|Butanedicarbonitrile|EINECS 203-896-3|Hexanedioic acid, dinitrile|Nitrile adipico|NSC 7617|Tetramethylene cyanide|Tetramethylene dicyanide|UN 2205|UNII-VK98I9YW5M|55462-97-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021936 https://doi.org/10.22427/NTP-DATA-DTXSID3021936
ARPathway2016 ARPathway2016_728 Hexanedioic acid 124-04-9 DTXSID7021605 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CCCCC(O)=O Hexanedioic acid 124-04-9|Hexanedioic acid|1,4-Butanedicarboxylic acid|1,6-Hexanedioate|1,6-Hexanedioic acid|4-02-00-01956|Acide adipique|acido adipico|Acifloctin|Acinetten|Adi-pure|Adilactetten|Adipate|Adipic acid|Adipinate|adipinic acid|ADIPINSAEURE|Adipinsaure|BRN 1209788|E 355|E-355|E355|EINECS 204-673-3|FEMA No. 2011|FEMA Number 2011|HEXANEDICARBOXYLIC ACID|Inipol DS|INS No. 355|Kyselina adipova|Molten adipate|Molten adipic acid|NSC 7622|NSC 87836|UNII-76A0JE0FKJ|1186514-28-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021605 https://doi.org/10.22427/NTP-DATA-DTXSID7021605
ARPathway2016 ARPathway2016_728 Hexanedioic acid 124-04-9 DTXSID7021605 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)CCCCC(O)=O Hexanedioic acid 124-04-9|Hexanedioic acid|1,4-Butanedicarboxylic acid|1,6-Hexanedioate|1,6-Hexanedioic acid|4-02-00-01956|Acide adipique|acido adipico|Acifloctin|Acinetten|Adi-pure|Adilactetten|Adipate|Adipic acid|Adipinate|adipinic acid|ADIPINSAEURE|Adipinsaure|BRN 1209788|E 355|E-355|E355|EINECS 204-673-3|FEMA No. 2011|FEMA Number 2011|HEXANEDICARBOXYLIC ACID|Inipol DS|INS No. 355|Kyselina adipova|Molten adipate|Molten adipic acid|NSC 7622|NSC 87836|UNII-76A0JE0FKJ|1186514-28-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021605 https://doi.org/10.22427/NTP-DATA-DTXSID7021605
ARPathway2016 ARPathway2016_728 Hexanedioic acid 124-04-9 DTXSID7021605 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)CCCCC(O)=O Hexanedioic acid 124-04-9|Hexanedioic acid|1,4-Butanedicarboxylic acid|1,6-Hexanedioate|1,6-Hexanedioic acid|4-02-00-01956|Acide adipique|acido adipico|Acifloctin|Acinetten|Adi-pure|Adilactetten|Adipate|Adipic acid|Adipinate|adipinic acid|ADIPINSAEURE|Adipinsaure|BRN 1209788|E 355|E-355|E355|EINECS 204-673-3|FEMA No. 2011|FEMA Number 2011|HEXANEDICARBOXYLIC ACID|Inipol DS|INS No. 355|Kyselina adipova|Molten adipate|Molten adipic acid|NSC 7622|NSC 87836|UNII-76A0JE0FKJ|1186514-28-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021605 https://doi.org/10.22427/NTP-DATA-DTXSID7021605
ARPathway2016 ARPathway2016_728 Hexanedioic acid 124-04-9 DTXSID7021605 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)CCCCC(O)=O Hexanedioic acid 124-04-9|Hexanedioic acid|1,4-Butanedicarboxylic acid|1,6-Hexanedioate|1,6-Hexanedioic acid|4-02-00-01956|Acide adipique|acido adipico|Acifloctin|Acinetten|Adi-pure|Adilactetten|Adipate|Adipic acid|Adipinate|adipinic acid|ADIPINSAEURE|Adipinsaure|BRN 1209788|E 355|E-355|E355|EINECS 204-673-3|FEMA No. 2011|FEMA Number 2011|HEXANEDICARBOXYLIC ACID|Inipol DS|INS No. 355|Kyselina adipova|Molten adipate|Molten adipic acid|NSC 7622|NSC 87836|UNII-76A0JE0FKJ|1186514-28-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021605 https://doi.org/10.22427/NTP-DATA-DTXSID7021605
ERPathway2016 ERPathway2016_1241 Hexanedioic acid 124-04-9 DTXSID7021605 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)CCCCC(O)=O Hexanedioic acid 124-04-9|Hexanedioic acid|1,4-Butanedicarboxylic acid|1,6-Hexanedioate|1,6-Hexanedioic acid|4-02-00-01956|Acide adipique|acido adipico|Acifloctin|Acinetten|Adi-pure|Adilactetten|Adipate|Adipic acid|Adipinate|adipinic acid|ADIPINSAEURE|Adipinsaure|BRN 1209788|E 355|E-355|E355|EINECS 204-673-3|FEMA No. 2011|FEMA Number 2011|HEXANEDICARBOXYLIC ACID|Inipol DS|INS No. 355|Kyselina adipova|Molten adipate|Molten adipic acid|NSC 7622|NSC 87836|UNII-76A0JE0FKJ|1186514-28-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021605 https://doi.org/10.22427/NTP-DATA-DTXSID7021605
ERPathway2016 ERPathway2016_1241 Hexanedioic acid 124-04-9 DTXSID7021605 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CCCCC(O)=O Hexanedioic acid 124-04-9|Hexanedioic acid|1,4-Butanedicarboxylic acid|1,6-Hexanedioate|1,6-Hexanedioic acid|4-02-00-01956|Acide adipique|acido adipico|Acifloctin|Acinetten|Adi-pure|Adilactetten|Adipate|Adipic acid|Adipinate|adipinic acid|ADIPINSAEURE|Adipinsaure|BRN 1209788|E 355|E-355|E355|EINECS 204-673-3|FEMA No. 2011|FEMA Number 2011|HEXANEDICARBOXYLIC ACID|Inipol DS|INS No. 355|Kyselina adipova|Molten adipate|Molten adipic acid|NSC 7622|NSC 87836|UNII-76A0JE0FKJ|1186514-28-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021605 https://doi.org/10.22427/NTP-DATA-DTXSID7021605
ERPathway2016 ERPathway2016_1241 Hexanedioic acid 124-04-9 DTXSID7021605 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)CCCCC(O)=O Hexanedioic acid 124-04-9|Hexanedioic acid|1,4-Butanedicarboxylic acid|1,6-Hexanedioate|1,6-Hexanedioic acid|4-02-00-01956|Acide adipique|acido adipico|Acifloctin|Acinetten|Adi-pure|Adilactetten|Adipate|Adipic acid|Adipinate|adipinic acid|ADIPINSAEURE|Adipinsaure|BRN 1209788|E 355|E-355|E355|EINECS 204-673-3|FEMA No. 2011|FEMA Number 2011|HEXANEDICARBOXYLIC ACID|Inipol DS|INS No. 355|Kyselina adipova|Molten adipate|Molten adipic acid|NSC 7622|NSC 87836|UNII-76A0JE0FKJ|1186514-28-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021605 https://doi.org/10.22427/NTP-DATA-DTXSID7021605
ERPathway2016 ERPathway2016_1241 Hexanedioic acid 124-04-9 DTXSID7021605 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)CCCCC(O)=O Hexanedioic acid 124-04-9|Hexanedioic acid|1,4-Butanedicarboxylic acid|1,6-Hexanedioate|1,6-Hexanedioic acid|4-02-00-01956|Acide adipique|acido adipico|Acifloctin|Acinetten|Adi-pure|Adilactetten|Adipate|Adipic acid|Adipinate|adipinic acid|ADIPINSAEURE|Adipinsaure|BRN 1209788|E 355|E-355|E355|EINECS 204-673-3|FEMA No. 2011|FEMA Number 2011|HEXANEDICARBOXYLIC ACID|Inipol DS|INS No. 355|Kyselina adipova|Molten adipate|Molten adipic acid|NSC 7622|NSC 87836|UNII-76A0JE0FKJ|1186514-28-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021605 https://doi.org/10.22427/NTP-DATA-DTXSID7021605
ARPathway2016 ARPathway2016_1487 Hexanedioic acid, di-C7-9-branched and linear alkyl esters 68515-75-3 DTXSID2047517 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Hexanedioic acid, di-C7-9-branched and linear alkyl esters 68515-75-3|Hexanedioic acid, di-C7-9-branched and linear alkyl esters|Adipic acid, dialkyl(C7-C9) ester|EINECS 271-105-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047517
ARPathway2016 ARPathway2016_1487 Hexanedioic acid, di-C7-9-branched and linear alkyl esters 68515-75-3 DTXSID2047517 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Hexanedioic acid, di-C7-9-branched and linear alkyl esters 68515-75-3|Hexanedioic acid, di-C7-9-branched and linear alkyl esters|Adipic acid, dialkyl(C7-C9) ester|EINECS 271-105-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047517
ARPathway2016 ARPathway2016_1487 Hexanedioic acid, di-C7-9-branched and linear alkyl esters 68515-75-3 DTXSID2047517 0.0 AR Pathway Model, Agonist Call Inactive Unitless Hexanedioic acid, di-C7-9-branched and linear alkyl esters 68515-75-3|Hexanedioic acid, di-C7-9-branched and linear alkyl esters|Adipic acid, dialkyl(C7-C9) ester|EINECS 271-105-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047517
ARPathway2016 ARPathway2016_1487 Hexanedioic acid, di-C7-9-branched and linear alkyl esters 68515-75-3 DTXSID2047517 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Hexanedioic acid, di-C7-9-branched and linear alkyl esters 68515-75-3|Hexanedioic acid, di-C7-9-branched and linear alkyl esters|Adipic acid, dialkyl(C7-C9) ester|EINECS 271-105-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047517
ERPathway2016 ERPathway2016_1613 Hexanedioic acid, di-C7-9-branched and linear alkyl esters 68515-75-3 DTXSID2047517 ER Pathway Model, Agonist Model Score 0 Unitless Hexanedioic acid, di-C7-9-branched and linear alkyl esters 68515-75-3|Hexanedioic acid, di-C7-9-branched and linear alkyl esters|Adipic acid, dialkyl(C7-C9) ester|EINECS 271-105-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047517
ERPathway2016 ERPathway2016_1613 Hexanedioic acid, di-C7-9-branched and linear alkyl esters 68515-75-3 DTXSID2047517 ER Pathway Model, Antagonist Model Score 0 Unitless Hexanedioic acid, di-C7-9-branched and linear alkyl esters 68515-75-3|Hexanedioic acid, di-C7-9-branched and linear alkyl esters|Adipic acid, dialkyl(C7-C9) ester|EINECS 271-105-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047517
ERPathway2016 ERPathway2016_1613 Hexanedioic acid, di-C7-9-branched and linear alkyl esters 68515-75-3 DTXSID2047517 ER Pathway Model, Agonist Call Inactive Unitless Hexanedioic acid, di-C7-9-branched and linear alkyl esters 68515-75-3|Hexanedioic acid, di-C7-9-branched and linear alkyl esters|Adipic acid, dialkyl(C7-C9) ester|EINECS 271-105-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047517
ERPathway2016 ERPathway2016_1613 Hexanedioic acid, di-C7-9-branched and linear alkyl esters 68515-75-3 DTXSID2047517 ER Pathway Model, Antagonist Call Inactive Unitless Hexanedioic acid, di-C7-9-branched and linear alkyl esters 68515-75-3|Hexanedioic acid, di-C7-9-branched and linear alkyl esters|Adipic acid, dialkyl(C7-C9) ester|EINECS 271-105-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047517
ARPathway2016 ARPathway2016_847 Hexanoic acid 142-62-1 DTXSID7021607 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCC(O)=O Hexanoic acid 142-62-1|Hexanoic acid|1-Hexanoate|1-Hexanoic acid|1-Pentanecarboxylate|1-Pentanecarboxylic acid|205-550-7|4-02-00-00917|6:0|Acide hexanoique|acido hexanoico|BRN 0773837|Butylacetate|Butylacetic acid|C6:0|Caproate|CAPROIC ACID|Capronate|Capronic acid|CAPRONSAEURE|CH3-[CH2]4-COOH|EC No.: 205-550-7|EINECS 205-550-7|FEMA No. 2559|Hexacid 698|Hexanoate|Hexansaure|Hexoate|Hexoic acid|Hexylate|Hexylic acid|Kyselina kapronova|N-Caproate|n-Caproic acid|N-Hexanoate|n-Hexanoic acid|N-Hexoate|n-Hexoic acid|N-Hexylate|n-Hexylic acid|NSC 35598|NSC 8266|Pentanecarboxylic acid|pentiformic acid|Pentylformate|Pentylformic acid|UN 2829|UNII-1F8SN134MX|53896-26-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021607 https://doi.org/10.22427/NTP-DATA-DTXSID7021607
ARPathway2016 ARPathway2016_847 Hexanoic acid 142-62-1 DTXSID7021607 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCC(O)=O Hexanoic acid 142-62-1|Hexanoic acid|1-Hexanoate|1-Hexanoic acid|1-Pentanecarboxylate|1-Pentanecarboxylic acid|205-550-7|4-02-00-00917|6:0|Acide hexanoique|acido hexanoico|BRN 0773837|Butylacetate|Butylacetic acid|C6:0|Caproate|CAPROIC ACID|Capronate|Capronic acid|CAPRONSAEURE|CH3-[CH2]4-COOH|EC No.: 205-550-7|EINECS 205-550-7|FEMA No. 2559|Hexacid 698|Hexanoate|Hexansaure|Hexoate|Hexoic acid|Hexylate|Hexylic acid|Kyselina kapronova|N-Caproate|n-Caproic acid|N-Hexanoate|n-Hexanoic acid|N-Hexoate|n-Hexoic acid|N-Hexylate|n-Hexylic acid|NSC 35598|NSC 8266|Pentanecarboxylic acid|pentiformic acid|Pentylformate|Pentylformic acid|UN 2829|UNII-1F8SN134MX|53896-26-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021607 https://doi.org/10.22427/NTP-DATA-DTXSID7021607
ARPathway2016 ARPathway2016_847 Hexanoic acid 142-62-1 DTXSID7021607 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCC(O)=O Hexanoic acid 142-62-1|Hexanoic acid|1-Hexanoate|1-Hexanoic acid|1-Pentanecarboxylate|1-Pentanecarboxylic acid|205-550-7|4-02-00-00917|6:0|Acide hexanoique|acido hexanoico|BRN 0773837|Butylacetate|Butylacetic acid|C6:0|Caproate|CAPROIC ACID|Capronate|Capronic acid|CAPRONSAEURE|CH3-[CH2]4-COOH|EC No.: 205-550-7|EINECS 205-550-7|FEMA No. 2559|Hexacid 698|Hexanoate|Hexansaure|Hexoate|Hexoic acid|Hexylate|Hexylic acid|Kyselina kapronova|N-Caproate|n-Caproic acid|N-Hexanoate|n-Hexanoic acid|N-Hexoate|n-Hexoic acid|N-Hexylate|n-Hexylic acid|NSC 35598|NSC 8266|Pentanecarboxylic acid|pentiformic acid|Pentylformate|Pentylformic acid|UN 2829|UNII-1F8SN134MX|53896-26-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021607 https://doi.org/10.22427/NTP-DATA-DTXSID7021607
ARPathway2016 ARPathway2016_847 Hexanoic acid 142-62-1 DTXSID7021607 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCC(O)=O Hexanoic acid 142-62-1|Hexanoic acid|1-Hexanoate|1-Hexanoic acid|1-Pentanecarboxylate|1-Pentanecarboxylic acid|205-550-7|4-02-00-00917|6:0|Acide hexanoique|acido hexanoico|BRN 0773837|Butylacetate|Butylacetic acid|C6:0|Caproate|CAPROIC ACID|Capronate|Capronic acid|CAPRONSAEURE|CH3-[CH2]4-COOH|EC No.: 205-550-7|EINECS 205-550-7|FEMA No. 2559|Hexacid 698|Hexanoate|Hexansaure|Hexoate|Hexoic acid|Hexylate|Hexylic acid|Kyselina kapronova|N-Caproate|n-Caproic acid|N-Hexanoate|n-Hexanoic acid|N-Hexoate|n-Hexoic acid|N-Hexylate|n-Hexylic acid|NSC 35598|NSC 8266|Pentanecarboxylic acid|pentiformic acid|Pentylformate|Pentylformic acid|UN 2829|UNII-1F8SN134MX|53896-26-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021607 https://doi.org/10.22427/NTP-DATA-DTXSID7021607
ERPathway2016 ERPathway2016_1303 Hexanoic acid 142-62-1 DTXSID7021607 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCC(O)=O Hexanoic acid 142-62-1|Hexanoic acid|1-Hexanoate|1-Hexanoic acid|1-Pentanecarboxylate|1-Pentanecarboxylic acid|205-550-7|4-02-00-00917|6:0|Acide hexanoique|acido hexanoico|BRN 0773837|Butylacetate|Butylacetic acid|C6:0|Caproate|CAPROIC ACID|Capronate|Capronic acid|CAPRONSAEURE|CH3-[CH2]4-COOH|EC No.: 205-550-7|EINECS 205-550-7|FEMA No. 2559|Hexacid 698|Hexanoate|Hexansaure|Hexoate|Hexoic acid|Hexylate|Hexylic acid|Kyselina kapronova|N-Caproate|n-Caproic acid|N-Hexanoate|n-Hexanoic acid|N-Hexoate|n-Hexoic acid|N-Hexylate|n-Hexylic acid|NSC 35598|NSC 8266|Pentanecarboxylic acid|pentiformic acid|Pentylformate|Pentylformic acid|UN 2829|UNII-1F8SN134MX|53896-26-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021607 https://doi.org/10.22427/NTP-DATA-DTXSID7021607
ERPathway2016 ERPathway2016_1303 Hexanoic acid 142-62-1 DTXSID7021607 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCC(O)=O Hexanoic acid 142-62-1|Hexanoic acid|1-Hexanoate|1-Hexanoic acid|1-Pentanecarboxylate|1-Pentanecarboxylic acid|205-550-7|4-02-00-00917|6:0|Acide hexanoique|acido hexanoico|BRN 0773837|Butylacetate|Butylacetic acid|C6:0|Caproate|CAPROIC ACID|Capronate|Capronic acid|CAPRONSAEURE|CH3-[CH2]4-COOH|EC No.: 205-550-7|EINECS 205-550-7|FEMA No. 2559|Hexacid 698|Hexanoate|Hexansaure|Hexoate|Hexoic acid|Hexylate|Hexylic acid|Kyselina kapronova|N-Caproate|n-Caproic acid|N-Hexanoate|n-Hexanoic acid|N-Hexoate|n-Hexoic acid|N-Hexylate|n-Hexylic acid|NSC 35598|NSC 8266|Pentanecarboxylic acid|pentiformic acid|Pentylformate|Pentylformic acid|UN 2829|UNII-1F8SN134MX|53896-26-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021607 https://doi.org/10.22427/NTP-DATA-DTXSID7021607
ERPathway2016 ERPathway2016_1303 Hexanoic acid 142-62-1 DTXSID7021607 ER Pathway Model, Agonist Call Inactive Unitless CCCCCC(O)=O Hexanoic acid 142-62-1|Hexanoic acid|1-Hexanoate|1-Hexanoic acid|1-Pentanecarboxylate|1-Pentanecarboxylic acid|205-550-7|4-02-00-00917|6:0|Acide hexanoique|acido hexanoico|BRN 0773837|Butylacetate|Butylacetic acid|C6:0|Caproate|CAPROIC ACID|Capronate|Capronic acid|CAPRONSAEURE|CH3-[CH2]4-COOH|EC No.: 205-550-7|EINECS 205-550-7|FEMA No. 2559|Hexacid 698|Hexanoate|Hexansaure|Hexoate|Hexoic acid|Hexylate|Hexylic acid|Kyselina kapronova|N-Caproate|n-Caproic acid|N-Hexanoate|n-Hexanoic acid|N-Hexoate|n-Hexoic acid|N-Hexylate|n-Hexylic acid|NSC 35598|NSC 8266|Pentanecarboxylic acid|pentiformic acid|Pentylformate|Pentylformic acid|UN 2829|UNII-1F8SN134MX|53896-26-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021607 https://doi.org/10.22427/NTP-DATA-DTXSID7021607
ERPathway2016 ERPathway2016_1303 Hexanoic acid 142-62-1 DTXSID7021607 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCC(O)=O Hexanoic acid 142-62-1|Hexanoic acid|1-Hexanoate|1-Hexanoic acid|1-Pentanecarboxylate|1-Pentanecarboxylic acid|205-550-7|4-02-00-00917|6:0|Acide hexanoique|acido hexanoico|BRN 0773837|Butylacetate|Butylacetic acid|C6:0|Caproate|CAPROIC ACID|Capronate|Capronic acid|CAPRONSAEURE|CH3-[CH2]4-COOH|EC No.: 205-550-7|EINECS 205-550-7|FEMA No. 2559|Hexacid 698|Hexanoate|Hexansaure|Hexoate|Hexoic acid|Hexylate|Hexylic acid|Kyselina kapronova|N-Caproate|n-Caproic acid|N-Hexanoate|n-Hexanoic acid|N-Hexoate|n-Hexoic acid|N-Hexylate|n-Hexylic acid|NSC 35598|NSC 8266|Pentanecarboxylic acid|pentiformic acid|Pentylformate|Pentylformic acid|UN 2829|UNII-1F8SN134MX|53896-26-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021607 https://doi.org/10.22427/NTP-DATA-DTXSID7021607
ARPathway2016 ARPathway2016_1255 Hexazinone 51235-04-2 DTXSID4024145 1.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C Hexazinone 51235-04-2|Hexazinone|1,3,5-Triazine-2,4(1H,3H)-dione, 3-cyclohexyl-6-(dimethylamino)-1-methyl-|3-Cyclohexyl-1-methyl-6-(dimethylamino)-s-trazine-2,4(1H,3H)-dione|3-Cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-|3-Cyclohexyl-6-(dimethylamino)-1-methyl-s-triazine-2,4(1H,3H)-dione|5-26-10-00171|BRN 0618801|Brushkiller|Caswell No. 271AA|DPX-A367|EINECS 257-074-4|EPA Pesticide Chemical Code 107201|Gridball|UNII-Y51727MR1Y|Velpar L|Velpar weed killer https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024145 https://doi.org/10.22427/NTP-DATA-DTXSID4024145
ARPathway2016 ARPathway2016_1255 Hexazinone 51235-04-2 DTXSID4024145 1.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C Hexazinone 51235-04-2|Hexazinone|1,3,5-Triazine-2,4(1H,3H)-dione, 3-cyclohexyl-6-(dimethylamino)-1-methyl-|3-Cyclohexyl-1-methyl-6-(dimethylamino)-s-trazine-2,4(1H,3H)-dione|3-Cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-|3-Cyclohexyl-6-(dimethylamino)-1-methyl-s-triazine-2,4(1H,3H)-dione|5-26-10-00171|BRN 0618801|Brushkiller|Caswell No. 271AA|DPX-A367|EINECS 257-074-4|EPA Pesticide Chemical Code 107201|Gridball|UNII-Y51727MR1Y|Velpar L|Velpar weed killer https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024145 https://doi.org/10.22427/NTP-DATA-DTXSID4024145
ARPathway2016 ARPathway2016_1255 Hexazinone 51235-04-2 DTXSID4024145 1.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C Hexazinone 51235-04-2|Hexazinone|1,3,5-Triazine-2,4(1H,3H)-dione, 3-cyclohexyl-6-(dimethylamino)-1-methyl-|3-Cyclohexyl-1-methyl-6-(dimethylamino)-s-trazine-2,4(1H,3H)-dione|3-Cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-|3-Cyclohexyl-6-(dimethylamino)-1-methyl-s-triazine-2,4(1H,3H)-dione|5-26-10-00171|BRN 0618801|Brushkiller|Caswell No. 271AA|DPX-A367|EINECS 257-074-4|EPA Pesticide Chemical Code 107201|Gridball|UNII-Y51727MR1Y|Velpar L|Velpar weed killer https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024145 https://doi.org/10.22427/NTP-DATA-DTXSID4024145
ARPathway2016 ARPathway2016_1255 Hexazinone 51235-04-2 DTXSID4024145 1.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C Hexazinone 51235-04-2|Hexazinone|1,3,5-Triazine-2,4(1H,3H)-dione, 3-cyclohexyl-6-(dimethylamino)-1-methyl-|3-Cyclohexyl-1-methyl-6-(dimethylamino)-s-trazine-2,4(1H,3H)-dione|3-Cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-|3-Cyclohexyl-6-(dimethylamino)-1-methyl-s-triazine-2,4(1H,3H)-dione|5-26-10-00171|BRN 0618801|Brushkiller|Caswell No. 271AA|DPX-A367|EINECS 257-074-4|EPA Pesticide Chemical Code 107201|Gridball|UNII-Y51727MR1Y|Velpar L|Velpar weed killer https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024145 https://doi.org/10.22427/NTP-DATA-DTXSID4024145
ERPathway2016 ERPathway2016_1501 Hexazinone 51235-04-2 DTXSID4024145 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C Hexazinone 51235-04-2|Hexazinone|1,3,5-Triazine-2,4(1H,3H)-dione, 3-cyclohexyl-6-(dimethylamino)-1-methyl-|3-Cyclohexyl-1-methyl-6-(dimethylamino)-s-trazine-2,4(1H,3H)-dione|3-Cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-|3-Cyclohexyl-6-(dimethylamino)-1-methyl-s-triazine-2,4(1H,3H)-dione|5-26-10-00171|BRN 0618801|Brushkiller|Caswell No. 271AA|DPX-A367|EINECS 257-074-4|EPA Pesticide Chemical Code 107201|Gridball|UNII-Y51727MR1Y|Velpar L|Velpar weed killer https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024145 https://doi.org/10.22427/NTP-DATA-DTXSID4024145
ERPathway2016 ERPathway2016_1501 Hexazinone 51235-04-2 DTXSID4024145 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C Hexazinone 51235-04-2|Hexazinone|1,3,5-Triazine-2,4(1H,3H)-dione, 3-cyclohexyl-6-(dimethylamino)-1-methyl-|3-Cyclohexyl-1-methyl-6-(dimethylamino)-s-trazine-2,4(1H,3H)-dione|3-Cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-|3-Cyclohexyl-6-(dimethylamino)-1-methyl-s-triazine-2,4(1H,3H)-dione|5-26-10-00171|BRN 0618801|Brushkiller|Caswell No. 271AA|DPX-A367|EINECS 257-074-4|EPA Pesticide Chemical Code 107201|Gridball|UNII-Y51727MR1Y|Velpar L|Velpar weed killer https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024145 https://doi.org/10.22427/NTP-DATA-DTXSID4024145
ERPathway2016 ERPathway2016_1501 Hexazinone 51235-04-2 DTXSID4024145 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C Hexazinone 51235-04-2|Hexazinone|1,3,5-Triazine-2,4(1H,3H)-dione, 3-cyclohexyl-6-(dimethylamino)-1-methyl-|3-Cyclohexyl-1-methyl-6-(dimethylamino)-s-trazine-2,4(1H,3H)-dione|3-Cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-|3-Cyclohexyl-6-(dimethylamino)-1-methyl-s-triazine-2,4(1H,3H)-dione|5-26-10-00171|BRN 0618801|Brushkiller|Caswell No. 271AA|DPX-A367|EINECS 257-074-4|EPA Pesticide Chemical Code 107201|Gridball|UNII-Y51727MR1Y|Velpar L|Velpar weed killer https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024145 https://doi.org/10.22427/NTP-DATA-DTXSID4024145
ERPathway2016 ERPathway2016_1501 Hexazinone 51235-04-2 DTXSID4024145 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C Hexazinone 51235-04-2|Hexazinone|1,3,5-Triazine-2,4(1H,3H)-dione, 3-cyclohexyl-6-(dimethylamino)-1-methyl-|3-Cyclohexyl-1-methyl-6-(dimethylamino)-s-trazine-2,4(1H,3H)-dione|3-Cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-|3-Cyclohexyl-6-(dimethylamino)-1-methyl-s-triazine-2,4(1H,3H)-dione|5-26-10-00171|BRN 0618801|Brushkiller|Caswell No. 271AA|DPX-A367|EINECS 257-074-4|EPA Pesticide Chemical Code 107201|Gridball|UNII-Y51727MR1Y|Velpar L|Velpar weed killer https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024145 https://doi.org/10.22427/NTP-DATA-DTXSID4024145
ARPathway2016 ARPathway2016_297 Hexestrol 84-16-2 DTXSID2022381 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist AC50 2.41800924082278 uM CC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Hexestrol 84-16-2|Hexestrol|EINECS 201-518-1|Erythro-hexestrol|Erythrohexestrol|Estra-Plex|Estrifar|Estronal|Extra-plex|gamma,delta-Di(p-hydroxyphenyl)-hexane|Hexanoestrol|Hexestrofen|Hormoestrol|meso-3,4-Bis(p-hydroxyphenyl)-n-hexane|meso-3,4-Di(p-hydroxyphenyl)-n-hexane|meso-Hexestrol|Synthovo|Syntrogene|Threo-hexestrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022381
ARPathway2016 ARPathway2016_297 Hexestrol 84-16-2 DTXSID2022381 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist ACC 2.41568916266472 uM CC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Hexestrol 84-16-2|Hexestrol|EINECS 201-518-1|Erythro-hexestrol|Erythrohexestrol|Estra-Plex|Estrifar|Estronal|Extra-plex|gamma,delta-Di(p-hydroxyphenyl)-hexane|Hexanoestrol|Hexestrofen|Hormoestrol|meso-3,4-Bis(p-hydroxyphenyl)-n-hexane|meso-3,4-Di(p-hydroxyphenyl)-n-hexane|meso-Hexestrol|Synthovo|Syntrogene|Threo-hexestrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022381
ARPathway2016 ARPathway2016_297 Hexestrol 84-16-2 DTXSID2022381 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Antagonist Model Score 0.34 Unitless CC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Hexestrol 84-16-2|Hexestrol|EINECS 201-518-1|Erythro-hexestrol|Erythrohexestrol|Estra-Plex|Estrifar|Estronal|Extra-plex|gamma,delta-Di(p-hydroxyphenyl)-hexane|Hexanoestrol|Hexestrofen|Hormoestrol|meso-3,4-Bis(p-hydroxyphenyl)-n-hexane|meso-3,4-Di(p-hydroxyphenyl)-n-hexane|meso-Hexestrol|Synthovo|Syntrogene|Threo-hexestrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022381
ARPathway2016 ARPathway2016_297 Hexestrol 84-16-2 DTXSID2022381 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Hexestrol 84-16-2|Hexestrol|EINECS 201-518-1|Erythro-hexestrol|Erythrohexestrol|Estra-Plex|Estrifar|Estronal|Extra-plex|gamma,delta-Di(p-hydroxyphenyl)-hexane|Hexanoestrol|Hexestrofen|Hormoestrol|meso-3,4-Bis(p-hydroxyphenyl)-n-hexane|meso-3,4-Di(p-hydroxyphenyl)-n-hexane|meso-Hexestrol|Synthovo|Syntrogene|Threo-hexestrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022381
ARPathway2016 ARPathway2016_297 Hexestrol 84-16-2 DTXSID2022381 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Hexestrol 84-16-2|Hexestrol|EINECS 201-518-1|Erythro-hexestrol|Erythrohexestrol|Estra-Plex|Estrifar|Estronal|Extra-plex|gamma,delta-Di(p-hydroxyphenyl)-hexane|Hexanoestrol|Hexestrofen|Hormoestrol|meso-3,4-Bis(p-hydroxyphenyl)-n-hexane|meso-3,4-Di(p-hydroxyphenyl)-n-hexane|meso-Hexestrol|Synthovo|Syntrogene|Threo-hexestrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022381
ARPathway2016 ARPathway2016_297 Hexestrol 84-16-2 DTXSID2022381 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Hexestrol 84-16-2|Hexestrol|EINECS 201-518-1|Erythro-hexestrol|Erythrohexestrol|Estra-Plex|Estrifar|Estronal|Extra-plex|gamma,delta-Di(p-hydroxyphenyl)-hexane|Hexanoestrol|Hexestrofen|Hormoestrol|meso-3,4-Bis(p-hydroxyphenyl)-n-hexane|meso-3,4-Di(p-hydroxyphenyl)-n-hexane|meso-Hexestrol|Synthovo|Syntrogene|Threo-hexestrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022381
ERPathway2016 ERPathway2016_146 Hexestrol 84-16-2 DTXSID2022381 Agonist ER Pathway Model, Antagonist AC50 0.00379137766761601 uM CC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Hexestrol 84-16-2|Hexestrol|EINECS 201-518-1|Erythro-hexestrol|Erythrohexestrol|Estra-Plex|Estrifar|Estronal|Extra-plex|gamma,delta-Di(p-hydroxyphenyl)-hexane|Hexanoestrol|Hexestrofen|Hormoestrol|meso-3,4-Bis(p-hydroxyphenyl)-n-hexane|meso-3,4-Di(p-hydroxyphenyl)-n-hexane|meso-Hexestrol|Synthovo|Syntrogene|Threo-hexestrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022381
ERPathway2016 ERPathway2016_146 Hexestrol 84-16-2 DTXSID2022381 Agonist ER Pathway Model, Antagonist ACC 0.00117606729192051 uM CC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Hexestrol 84-16-2|Hexestrol|EINECS 201-518-1|Erythro-hexestrol|Erythrohexestrol|Estra-Plex|Estrifar|Estronal|Extra-plex|gamma,delta-Di(p-hydroxyphenyl)-hexane|Hexanoestrol|Hexestrofen|Hormoestrol|meso-3,4-Bis(p-hydroxyphenyl)-n-hexane|meso-3,4-Di(p-hydroxyphenyl)-n-hexane|meso-Hexestrol|Synthovo|Syntrogene|Threo-hexestrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022381
ERPathway2016 ERPathway2016_146 Hexestrol 84-16-2 DTXSID2022381 Agonist ER Pathway Model, Agonist Model Score 0.993 Unitless CC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Hexestrol 84-16-2|Hexestrol|EINECS 201-518-1|Erythro-hexestrol|Erythrohexestrol|Estra-Plex|Estrifar|Estronal|Extra-plex|gamma,delta-Di(p-hydroxyphenyl)-hexane|Hexanoestrol|Hexestrofen|Hormoestrol|meso-3,4-Bis(p-hydroxyphenyl)-n-hexane|meso-3,4-Di(p-hydroxyphenyl)-n-hexane|meso-Hexestrol|Synthovo|Syntrogene|Threo-hexestrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022381
ERPathway2016 ERPathway2016_146 Hexestrol 84-16-2 DTXSID2022381 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Hexestrol 84-16-2|Hexestrol|EINECS 201-518-1|Erythro-hexestrol|Erythrohexestrol|Estra-Plex|Estrifar|Estronal|Extra-plex|gamma,delta-Di(p-hydroxyphenyl)-hexane|Hexanoestrol|Hexestrofen|Hormoestrol|meso-3,4-Bis(p-hydroxyphenyl)-n-hexane|meso-3,4-Di(p-hydroxyphenyl)-n-hexane|meso-Hexestrol|Synthovo|Syntrogene|Threo-hexestrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022381
ERPathway2016 ERPathway2016_146 Hexestrol 84-16-2 DTXSID2022381 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Hexestrol 84-16-2|Hexestrol|EINECS 201-518-1|Erythro-hexestrol|Erythrohexestrol|Estra-Plex|Estrifar|Estronal|Extra-plex|gamma,delta-Di(p-hydroxyphenyl)-hexane|Hexanoestrol|Hexestrofen|Hormoestrol|meso-3,4-Bis(p-hydroxyphenyl)-n-hexane|meso-3,4-Di(p-hydroxyphenyl)-n-hexane|meso-Hexestrol|Synthovo|Syntrogene|Threo-hexestrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022381
ERPathway2016 ERPathway2016_146 Hexestrol 84-16-2 DTXSID2022381 Agonist ER Pathway Model, Antagonist Call Active Unitless CC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Hexestrol 84-16-2|Hexestrol|EINECS 201-518-1|Erythro-hexestrol|Erythrohexestrol|Estra-Plex|Estrifar|Estronal|Extra-plex|gamma,delta-Di(p-hydroxyphenyl)-hexane|Hexanoestrol|Hexestrofen|Hormoestrol|meso-3,4-Bis(p-hydroxyphenyl)-n-hexane|meso-3,4-Di(p-hydroxyphenyl)-n-hexane|meso-Hexestrol|Synthovo|Syntrogene|Threo-hexestrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022381
ARPathway2016 ARPathway2016_1476 Hexyl benzoate 6789-88-4 DTXSID9025403 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCOC(=O)C1=CC=CC=C1 Hexyl benzoate 6789-88-4|Hexyl benzoate|1-Hexyl benzoate|4-09-00-00293|Benzoic acid, hexyl ester|BRN 2048117|EINECS 229-856-5|FEMA No. 3691|Hexylester kyseliny benzoove|N-Hexyl benzoate|n-Hexylbenzoate|UNII-VR3C36EKJR https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025403 https://doi.org/10.22427/NTP-DATA-DTXSID9025403
ARPathway2016 ARPathway2016_1476 Hexyl benzoate 6789-88-4 DTXSID9025403 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCOC(=O)C1=CC=CC=C1 Hexyl benzoate 6789-88-4|Hexyl benzoate|1-Hexyl benzoate|4-09-00-00293|Benzoic acid, hexyl ester|BRN 2048117|EINECS 229-856-5|FEMA No. 3691|Hexylester kyseliny benzoove|N-Hexyl benzoate|n-Hexylbenzoate|UNII-VR3C36EKJR https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025403 https://doi.org/10.22427/NTP-DATA-DTXSID9025403
ARPathway2016 ARPathway2016_1476 Hexyl benzoate 6789-88-4 DTXSID9025403 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCOC(=O)C1=CC=CC=C1 Hexyl benzoate 6789-88-4|Hexyl benzoate|1-Hexyl benzoate|4-09-00-00293|Benzoic acid, hexyl ester|BRN 2048117|EINECS 229-856-5|FEMA No. 3691|Hexylester kyseliny benzoove|N-Hexyl benzoate|n-Hexylbenzoate|UNII-VR3C36EKJR https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025403 https://doi.org/10.22427/NTP-DATA-DTXSID9025403
ARPathway2016 ARPathway2016_1476 Hexyl benzoate 6789-88-4 DTXSID9025403 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCOC(=O)C1=CC=CC=C1 Hexyl benzoate 6789-88-4|Hexyl benzoate|1-Hexyl benzoate|4-09-00-00293|Benzoic acid, hexyl ester|BRN 2048117|EINECS 229-856-5|FEMA No. 3691|Hexylester kyseliny benzoove|N-Hexyl benzoate|n-Hexylbenzoate|UNII-VR3C36EKJR https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025403 https://doi.org/10.22427/NTP-DATA-DTXSID9025403
ERPathway2016 ERPathway2016_1608 Hexyl benzoate 6789-88-4 DTXSID9025403 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCOC(=O)C1=CC=CC=C1 Hexyl benzoate 6789-88-4|Hexyl benzoate|1-Hexyl benzoate|4-09-00-00293|Benzoic acid, hexyl ester|BRN 2048117|EINECS 229-856-5|FEMA No. 3691|Hexylester kyseliny benzoove|N-Hexyl benzoate|n-Hexylbenzoate|UNII-VR3C36EKJR https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025403 https://doi.org/10.22427/NTP-DATA-DTXSID9025403
ERPathway2016 ERPathway2016_1608 Hexyl benzoate 6789-88-4 DTXSID9025403 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCOC(=O)C1=CC=CC=C1 Hexyl benzoate 6789-88-4|Hexyl benzoate|1-Hexyl benzoate|4-09-00-00293|Benzoic acid, hexyl ester|BRN 2048117|EINECS 229-856-5|FEMA No. 3691|Hexylester kyseliny benzoove|N-Hexyl benzoate|n-Hexylbenzoate|UNII-VR3C36EKJR https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025403 https://doi.org/10.22427/NTP-DATA-DTXSID9025403
ERPathway2016 ERPathway2016_1608 Hexyl benzoate 6789-88-4 DTXSID9025403 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCOC(=O)C1=CC=CC=C1 Hexyl benzoate 6789-88-4|Hexyl benzoate|1-Hexyl benzoate|4-09-00-00293|Benzoic acid, hexyl ester|BRN 2048117|EINECS 229-856-5|FEMA No. 3691|Hexylester kyseliny benzoove|N-Hexyl benzoate|n-Hexylbenzoate|UNII-VR3C36EKJR https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025403 https://doi.org/10.22427/NTP-DATA-DTXSID9025403
ERPathway2016 ERPathway2016_1608 Hexyl benzoate 6789-88-4 DTXSID9025403 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCOC(=O)C1=CC=CC=C1 Hexyl benzoate 6789-88-4|Hexyl benzoate|1-Hexyl benzoate|4-09-00-00293|Benzoic acid, hexyl ester|BRN 2048117|EINECS 229-856-5|FEMA No. 3691|Hexylester kyseliny benzoove|N-Hexyl benzoate|n-Hexylbenzoate|UNII-VR3C36EKJR https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025403 https://doi.org/10.22427/NTP-DATA-DTXSID9025403
ARPathway2016 ARPathway2016_1414 Hexyl salicylate 6259-76-3 DTXSID4038924 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCOC(=O)C1=C(O)C=CC=C1 Hexyl salicylate 6259-76-3|Hexyl salicylate|1-Hexyl salicylate|Benzoic acid, 2- hydroxy- , hexyl ester|EINECS 228-408-6|Hexyl 2-hydroxybenzoate|hexyl salicylate|n-Hexyl salicylate|n-Hexyl-o-hydroxybenzoate|Salicylic acid, hexyl ester|UNII-8F78EY72YL https://comptox.epa.gov/dashboard/chemical/details/DTXSID4038924
ARPathway2016 ARPathway2016_1414 Hexyl salicylate 6259-76-3 DTXSID4038924 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCOC(=O)C1=C(O)C=CC=C1 Hexyl salicylate 6259-76-3|Hexyl salicylate|1-Hexyl salicylate|Benzoic acid, 2- hydroxy- , hexyl ester|EINECS 228-408-6|Hexyl 2-hydroxybenzoate|hexyl salicylate|n-Hexyl salicylate|n-Hexyl-o-hydroxybenzoate|Salicylic acid, hexyl ester|UNII-8F78EY72YL https://comptox.epa.gov/dashboard/chemical/details/DTXSID4038924
ARPathway2016 ARPathway2016_1414 Hexyl salicylate 6259-76-3 DTXSID4038924 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCOC(=O)C1=C(O)C=CC=C1 Hexyl salicylate 6259-76-3|Hexyl salicylate|1-Hexyl salicylate|Benzoic acid, 2- hydroxy- , hexyl ester|EINECS 228-408-6|Hexyl 2-hydroxybenzoate|hexyl salicylate|n-Hexyl salicylate|n-Hexyl-o-hydroxybenzoate|Salicylic acid, hexyl ester|UNII-8F78EY72YL https://comptox.epa.gov/dashboard/chemical/details/DTXSID4038924
ARPathway2016 ARPathway2016_1414 Hexyl salicylate 6259-76-3 DTXSID4038924 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCOC(=O)C1=C(O)C=CC=C1 Hexyl salicylate 6259-76-3|Hexyl salicylate|1-Hexyl salicylate|Benzoic acid, 2- hydroxy- , hexyl ester|EINECS 228-408-6|Hexyl 2-hydroxybenzoate|hexyl salicylate|n-Hexyl salicylate|n-Hexyl-o-hydroxybenzoate|Salicylic acid, hexyl ester|UNII-8F78EY72YL https://comptox.epa.gov/dashboard/chemical/details/DTXSID4038924
ERPathway2016 ERPathway2016_356 Hexyl salicylate 6259-76-3 DTXSID4038924 ER Pathway Model, Antagonist AC50 57.7292004099647 uM CCCCCCOC(=O)C1=C(O)C=CC=C1 Hexyl salicylate 6259-76-3|Hexyl salicylate|1-Hexyl salicylate|Benzoic acid, 2- hydroxy- , hexyl ester|EINECS 228-408-6|Hexyl 2-hydroxybenzoate|hexyl salicylate|n-Hexyl salicylate|n-Hexyl-o-hydroxybenzoate|Salicylic acid, hexyl ester|UNII-8F78EY72YL https://comptox.epa.gov/dashboard/chemical/details/DTXSID4038924
ERPathway2016 ERPathway2016_356 Hexyl salicylate 6259-76-3 DTXSID4038924 ER Pathway Model, Antagonist ACC 47.5953167173507 uM CCCCCCOC(=O)C1=C(O)C=CC=C1 Hexyl salicylate 6259-76-3|Hexyl salicylate|1-Hexyl salicylate|Benzoic acid, 2- hydroxy- , hexyl ester|EINECS 228-408-6|Hexyl 2-hydroxybenzoate|hexyl salicylate|n-Hexyl salicylate|n-Hexyl-o-hydroxybenzoate|Salicylic acid, hexyl ester|UNII-8F78EY72YL https://comptox.epa.gov/dashboard/chemical/details/DTXSID4038924
ERPathway2016 ERPathway2016_356 Hexyl salicylate 6259-76-3 DTXSID4038924 ER Pathway Model, Agonist Model Score 0.0173 Unitless CCCCCCOC(=O)C1=C(O)C=CC=C1 Hexyl salicylate 6259-76-3|Hexyl salicylate|1-Hexyl salicylate|Benzoic acid, 2- hydroxy- , hexyl ester|EINECS 228-408-6|Hexyl 2-hydroxybenzoate|hexyl salicylate|n-Hexyl salicylate|n-Hexyl-o-hydroxybenzoate|Salicylic acid, hexyl ester|UNII-8F78EY72YL https://comptox.epa.gov/dashboard/chemical/details/DTXSID4038924
ERPathway2016 ERPathway2016_356 Hexyl salicylate 6259-76-3 DTXSID4038924 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCOC(=O)C1=C(O)C=CC=C1 Hexyl salicylate 6259-76-3|Hexyl salicylate|1-Hexyl salicylate|Benzoic acid, 2- hydroxy- , hexyl ester|EINECS 228-408-6|Hexyl 2-hydroxybenzoate|hexyl salicylate|n-Hexyl salicylate|n-Hexyl-o-hydroxybenzoate|Salicylic acid, hexyl ester|UNII-8F78EY72YL https://comptox.epa.gov/dashboard/chemical/details/DTXSID4038924
ERPathway2016 ERPathway2016_356 Hexyl salicylate 6259-76-3 DTXSID4038924 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCOC(=O)C1=C(O)C=CC=C1 Hexyl salicylate 6259-76-3|Hexyl salicylate|1-Hexyl salicylate|Benzoic acid, 2- hydroxy- , hexyl ester|EINECS 228-408-6|Hexyl 2-hydroxybenzoate|hexyl salicylate|n-Hexyl salicylate|n-Hexyl-o-hydroxybenzoate|Salicylic acid, hexyl ester|UNII-8F78EY72YL https://comptox.epa.gov/dashboard/chemical/details/DTXSID4038924
ERPathway2016 ERPathway2016_356 Hexyl salicylate 6259-76-3 DTXSID4038924 ER Pathway Model, Antagonist Call Active Unitless CCCCCCOC(=O)C1=C(O)C=CC=C1 Hexyl salicylate 6259-76-3|Hexyl salicylate|1-Hexyl salicylate|Benzoic acid, 2- hydroxy- , hexyl ester|EINECS 228-408-6|Hexyl 2-hydroxybenzoate|hexyl salicylate|n-Hexyl salicylate|n-Hexyl-o-hydroxybenzoate|Salicylic acid, hexyl ester|UNII-8F78EY72YL https://comptox.epa.gov/dashboard/chemical/details/DTXSID4038924
ARPathway2016 ARPathway2016_278 Hexythiazox 78587-05-0 DTXSID7024299 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist AC50 45.6442577066777 uM C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)C1=CC=C(Cl)C=C1 Hexythiazox 78587-05-0|Hexythiazox|(4RS,5RS)-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide|242-579-4|Acarflor|Acariflor|Calibre|DPX Y5893-9|EC No.: 242-579-4|Matacar|NA 73|Nissorun|Ordoval|Savey|trans-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-3-thiazolidinecarboxamide|UNII-9A1P1MCC1L|127758-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024299
ARPathway2016 ARPathway2016_278 Hexythiazox 78587-05-0 DTXSID7024299 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist ACC 41.53746384 uM C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)C1=CC=C(Cl)C=C1 Hexythiazox 78587-05-0|Hexythiazox|(4RS,5RS)-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide|242-579-4|Acarflor|Acariflor|Calibre|DPX Y5893-9|EC No.: 242-579-4|Matacar|NA 73|Nissorun|Ordoval|Savey|trans-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-3-thiazolidinecarboxamide|UNII-9A1P1MCC1L|127758-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024299
ARPathway2016 ARPathway2016_278 Hexythiazox 78587-05-0 DTXSID7024299 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0.0253 Unitless C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)C1=CC=C(Cl)C=C1 Hexythiazox 78587-05-0|Hexythiazox|(4RS,5RS)-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide|242-579-4|Acarflor|Acariflor|Calibre|DPX Y5893-9|EC No.: 242-579-4|Matacar|NA 73|Nissorun|Ordoval|Savey|trans-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-3-thiazolidinecarboxamide|UNII-9A1P1MCC1L|127758-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024299
ARPathway2016 ARPathway2016_278 Hexythiazox 78587-05-0 DTXSID7024299 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)C1=CC=C(Cl)C=C1 Hexythiazox 78587-05-0|Hexythiazox|(4RS,5RS)-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide|242-579-4|Acarflor|Acariflor|Calibre|DPX Y5893-9|EC No.: 242-579-4|Matacar|NA 73|Nissorun|Ordoval|Savey|trans-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-3-thiazolidinecarboxamide|UNII-9A1P1MCC1L|127758-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024299
ARPathway2016 ARPathway2016_278 Hexythiazox 78587-05-0 DTXSID7024299 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Active Unitless C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)C1=CC=C(Cl)C=C1 Hexythiazox 78587-05-0|Hexythiazox|(4RS,5RS)-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide|242-579-4|Acarflor|Acariflor|Calibre|DPX Y5893-9|EC No.: 242-579-4|Matacar|NA 73|Nissorun|Ordoval|Savey|trans-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-3-thiazolidinecarboxamide|UNII-9A1P1MCC1L|127758-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024299
ARPathway2016 ARPathway2016_278 Hexythiazox 78587-05-0 DTXSID7024299 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)C1=CC=C(Cl)C=C1 Hexythiazox 78587-05-0|Hexythiazox|(4RS,5RS)-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide|242-579-4|Acarflor|Acariflor|Calibre|DPX Y5893-9|EC No.: 242-579-4|Matacar|NA 73|Nissorun|Ordoval|Savey|trans-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-3-thiazolidinecarboxamide|UNII-9A1P1MCC1L|127758-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024299
ERPathway2016 ERPathway2016_589 Hexythiazox 78587-05-0 DTXSID7024299 ER Pathway Model, Agonist Model Score 0 Unitless C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)C1=CC=C(Cl)C=C1 Hexythiazox 78587-05-0|Hexythiazox|(4RS,5RS)-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide|242-579-4|Acarflor|Acariflor|Calibre|DPX Y5893-9|EC No.: 242-579-4|Matacar|NA 73|Nissorun|Ordoval|Savey|trans-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-3-thiazolidinecarboxamide|UNII-9A1P1MCC1L|127758-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024299
ERPathway2016 ERPathway2016_589 Hexythiazox 78587-05-0 DTXSID7024299 ER Pathway Model, Antagonist Model Score 0 Unitless C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)C1=CC=C(Cl)C=C1 Hexythiazox 78587-05-0|Hexythiazox|(4RS,5RS)-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide|242-579-4|Acarflor|Acariflor|Calibre|DPX Y5893-9|EC No.: 242-579-4|Matacar|NA 73|Nissorun|Ordoval|Savey|trans-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-3-thiazolidinecarboxamide|UNII-9A1P1MCC1L|127758-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024299
ERPathway2016 ERPathway2016_589 Hexythiazox 78587-05-0 DTXSID7024299 ER Pathway Model, Agonist Call Inactive Unitless C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)C1=CC=C(Cl)C=C1 Hexythiazox 78587-05-0|Hexythiazox|(4RS,5RS)-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide|242-579-4|Acarflor|Acariflor|Calibre|DPX Y5893-9|EC No.: 242-579-4|Matacar|NA 73|Nissorun|Ordoval|Savey|trans-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-3-thiazolidinecarboxamide|UNII-9A1P1MCC1L|127758-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024299
ERPathway2016 ERPathway2016_589 Hexythiazox 78587-05-0 DTXSID7024299 ER Pathway Model, Antagonist Call Inactive Unitless C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)C1=CC=C(Cl)C=C1 Hexythiazox 78587-05-0|Hexythiazox|(4RS,5RS)-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide|242-579-4|Acarflor|Acariflor|Calibre|DPX Y5893-9|EC No.: 242-579-4|Matacar|NA 73|Nissorun|Ordoval|Savey|trans-5-(4-Chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-3-thiazolidinecarboxamide|UNII-9A1P1MCC1L|127758-03-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024299
ARPathway2016 ARPathway2016_1071 HMR1426 262376-75-0 DTXSID9047338 True antagonist shift (No hit/Hit) 2.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless OC12N=C(SC1CC1=CC(Cl)=CC=C21)C1=CC=CC=C1 HMR1426 262376-75-0|HMR1426|782482-03-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047338
ARPathway2016 ARPathway2016_1071 HMR1426 262376-75-0 DTXSID9047338 True antagonist shift (No hit/Hit) 2.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless OC12N=C(SC1CC1=CC(Cl)=CC=C21)C1=CC=CC=C1 HMR1426 262376-75-0|HMR1426|782482-03-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047338
ARPathway2016 ARPathway2016_1071 HMR1426 262376-75-0 DTXSID9047338 True antagonist shift (No hit/Hit) 2.0 R7 AR Pathway Model, Agonist Call Inactive Unitless OC12N=C(SC1CC1=CC(Cl)=CC=C21)C1=CC=CC=C1 HMR1426 262376-75-0|HMR1426|782482-03-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047338
ARPathway2016 ARPathway2016_1071 HMR1426 262376-75-0 DTXSID9047338 True antagonist shift (No hit/Hit) 2.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless OC12N=C(SC1CC1=CC(Cl)=CC=C21)C1=CC=CC=C1 HMR1426 262376-75-0|HMR1426|782482-03-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047338
ERPathway2016 ERPathway2016_352 HMR1426 262376-75-0 DTXSID9047338 A15 ER Pathway Model, Antagonist AC50 0.946439899707904 uM OC12N=C(SC1CC1=CC(Cl)=CC=C21)C1=CC=CC=C1 HMR1426 262376-75-0|HMR1426|782482-03-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047338
ERPathway2016 ERPathway2016_352 HMR1426 262376-75-0 DTXSID9047338 A15 ER Pathway Model, Antagonist ACC 1.74727200266351 uM OC12N=C(SC1CC1=CC(Cl)=CC=C21)C1=CC=CC=C1 HMR1426 262376-75-0|HMR1426|782482-03-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047338
ERPathway2016 ERPathway2016_352 HMR1426 262376-75-0 DTXSID9047338 A15 ER Pathway Model, Agonist Model Score 0.0176 Unitless OC12N=C(SC1CC1=CC(Cl)=CC=C21)C1=CC=CC=C1 HMR1426 262376-75-0|HMR1426|782482-03-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047338
ERPathway2016 ERPathway2016_352 HMR1426 262376-75-0 DTXSID9047338 A15 ER Pathway Model, Antagonist Model Score 0 Unitless OC12N=C(SC1CC1=CC(Cl)=CC=C21)C1=CC=CC=C1 HMR1426 262376-75-0|HMR1426|782482-03-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047338
ERPathway2016 ERPathway2016_352 HMR1426 262376-75-0 DTXSID9047338 A15 ER Pathway Model, Agonist Call Inactive Unitless OC12N=C(SC1CC1=CC(Cl)=CC=C21)C1=CC=CC=C1 HMR1426 262376-75-0|HMR1426|782482-03-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047338
ERPathway2016 ERPathway2016_352 HMR1426 262376-75-0 DTXSID9047338 A15 ER Pathway Model, Antagonist Call Active Unitless OC12N=C(SC1CC1=CC(Cl)=CC=C21)C1=CC=CC=C1 HMR1426 262376-75-0|HMR1426|782482-03-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047338
ARPathway2016 ARPathway2016_246 Hydramethylnon 67485-29-4 DTXSID6023868 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 17.7976513655713 uM CC1(C)CNC(NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC2=CC=C(C=C2)C(F)(F)F)=NC1 Hydramethylnon 67485-29-4|Hydramethylnon|1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, 2-(1,4,5,6-tetrahydro-5,5-dimethyl-2-pyrimidinyl)hydrazone|2(1H)-Pyrimidinone, tetrahydro-5,5-dimethyl-, [3-[4-(trifluoromethyl)phenyl]-1-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-propenylidene]hydrazone|5,5-Dimethylperhydropyrimidin-2-one-(4-trifluoromethyl-a- trifluoromethylstyryl)cinnamylidenehydrazone|AC 217300|Amdro|BAS 3151|BRN 6015162|Caswell No. 642AB|Caswell No. 839A|CL217,300|Combat|Compound A|EPA Pesticide Chemical Code 118401|Maxforce|Maxforce Gel K|Maxforce Roach Killer Bait Gel|NSC 379665|Tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone [p-(trifluoromethyl)-a-[p-(trifluoromethyl)styryl]cinnamylidene]hydrazone|UNII-J265GZ7MFJ|Wipeout|70829-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023868
ARPathway2016 ARPathway2016_246 Hydramethylnon 67485-29-4 DTXSID6023868 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 18.37163078 uM CC1(C)CNC(NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC2=CC=C(C=C2)C(F)(F)F)=NC1 Hydramethylnon 67485-29-4|Hydramethylnon|1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, 2-(1,4,5,6-tetrahydro-5,5-dimethyl-2-pyrimidinyl)hydrazone|2(1H)-Pyrimidinone, tetrahydro-5,5-dimethyl-, [3-[4-(trifluoromethyl)phenyl]-1-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-propenylidene]hydrazone|5,5-Dimethylperhydropyrimidin-2-one-(4-trifluoromethyl-a- trifluoromethylstyryl)cinnamylidenehydrazone|AC 217300|Amdro|BAS 3151|BRN 6015162|Caswell No. 642AB|Caswell No. 839A|CL217,300|Combat|Compound A|EPA Pesticide Chemical Code 118401|Maxforce|Maxforce Gel K|Maxforce Roach Killer Bait Gel|NSC 379665|Tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone [p-(trifluoromethyl)-a-[p-(trifluoromethyl)styryl]cinnamylidene]hydrazone|UNII-J265GZ7MFJ|Wipeout|70829-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023868
ARPathway2016 ARPathway2016_246 Hydramethylnon 67485-29-4 DTXSID6023868 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.236 Unitless CC1(C)CNC(NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC2=CC=C(C=C2)C(F)(F)F)=NC1 Hydramethylnon 67485-29-4|Hydramethylnon|1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, 2-(1,4,5,6-tetrahydro-5,5-dimethyl-2-pyrimidinyl)hydrazone|2(1H)-Pyrimidinone, tetrahydro-5,5-dimethyl-, [3-[4-(trifluoromethyl)phenyl]-1-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-propenylidene]hydrazone|5,5-Dimethylperhydropyrimidin-2-one-(4-trifluoromethyl-a- trifluoromethylstyryl)cinnamylidenehydrazone|AC 217300|Amdro|BAS 3151|BRN 6015162|Caswell No. 642AB|Caswell No. 839A|CL217,300|Combat|Compound A|EPA Pesticide Chemical Code 118401|Maxforce|Maxforce Gel K|Maxforce Roach Killer Bait Gel|NSC 379665|Tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone [p-(trifluoromethyl)-a-[p-(trifluoromethyl)styryl]cinnamylidene]hydrazone|UNII-J265GZ7MFJ|Wipeout|70829-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023868
ARPathway2016 ARPathway2016_246 Hydramethylnon 67485-29-4 DTXSID6023868 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)CNC(NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC2=CC=C(C=C2)C(F)(F)F)=NC1 Hydramethylnon 67485-29-4|Hydramethylnon|1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, 2-(1,4,5,6-tetrahydro-5,5-dimethyl-2-pyrimidinyl)hydrazone|2(1H)-Pyrimidinone, tetrahydro-5,5-dimethyl-, [3-[4-(trifluoromethyl)phenyl]-1-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-propenylidene]hydrazone|5,5-Dimethylperhydropyrimidin-2-one-(4-trifluoromethyl-a- trifluoromethylstyryl)cinnamylidenehydrazone|AC 217300|Amdro|BAS 3151|BRN 6015162|Caswell No. 642AB|Caswell No. 839A|CL217,300|Combat|Compound A|EPA Pesticide Chemical Code 118401|Maxforce|Maxforce Gel K|Maxforce Roach Killer Bait Gel|NSC 379665|Tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone [p-(trifluoromethyl)-a-[p-(trifluoromethyl)styryl]cinnamylidene]hydrazone|UNII-J265GZ7MFJ|Wipeout|70829-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023868
ARPathway2016 ARPathway2016_246 Hydramethylnon 67485-29-4 DTXSID6023868 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC1(C)CNC(NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC2=CC=C(C=C2)C(F)(F)F)=NC1 Hydramethylnon 67485-29-4|Hydramethylnon|1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, 2-(1,4,5,6-tetrahydro-5,5-dimethyl-2-pyrimidinyl)hydrazone|2(1H)-Pyrimidinone, tetrahydro-5,5-dimethyl-, [3-[4-(trifluoromethyl)phenyl]-1-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-propenylidene]hydrazone|5,5-Dimethylperhydropyrimidin-2-one-(4-trifluoromethyl-a- trifluoromethylstyryl)cinnamylidenehydrazone|AC 217300|Amdro|BAS 3151|BRN 6015162|Caswell No. 642AB|Caswell No. 839A|CL217,300|Combat|Compound A|EPA Pesticide Chemical Code 118401|Maxforce|Maxforce Gel K|Maxforce Roach Killer Bait Gel|NSC 379665|Tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone [p-(trifluoromethyl)-a-[p-(trifluoromethyl)styryl]cinnamylidene]hydrazone|UNII-J265GZ7MFJ|Wipeout|70829-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023868
ARPathway2016 ARPathway2016_246 Hydramethylnon 67485-29-4 DTXSID6023868 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)CNC(NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC2=CC=C(C=C2)C(F)(F)F)=NC1 Hydramethylnon 67485-29-4|Hydramethylnon|1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, 2-(1,4,5,6-tetrahydro-5,5-dimethyl-2-pyrimidinyl)hydrazone|2(1H)-Pyrimidinone, tetrahydro-5,5-dimethyl-, [3-[4-(trifluoromethyl)phenyl]-1-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-propenylidene]hydrazone|5,5-Dimethylperhydropyrimidin-2-one-(4-trifluoromethyl-a- trifluoromethylstyryl)cinnamylidenehydrazone|AC 217300|Amdro|BAS 3151|BRN 6015162|Caswell No. 642AB|Caswell No. 839A|CL217,300|Combat|Compound A|EPA Pesticide Chemical Code 118401|Maxforce|Maxforce Gel K|Maxforce Roach Killer Bait Gel|NSC 379665|Tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone [p-(trifluoromethyl)-a-[p-(trifluoromethyl)styryl]cinnamylidene]hydrazone|UNII-J265GZ7MFJ|Wipeout|70829-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023868
ERPathway2016 ERPathway2016_200 Hydramethylnon 67485-29-4 DTXSID6023868 Agonist ER Pathway Model, Antagonist AC50 3.79205449644723 uM CC1(C)CNC(NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC2=CC=C(C=C2)C(F)(F)F)=NC1 Hydramethylnon 67485-29-4|Hydramethylnon|1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, 2-(1,4,5,6-tetrahydro-5,5-dimethyl-2-pyrimidinyl)hydrazone|2(1H)-Pyrimidinone, tetrahydro-5,5-dimethyl-, [3-[4-(trifluoromethyl)phenyl]-1-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-propenylidene]hydrazone|5,5-Dimethylperhydropyrimidin-2-one-(4-trifluoromethyl-a- trifluoromethylstyryl)cinnamylidenehydrazone|AC 217300|Amdro|BAS 3151|BRN 6015162|Caswell No. 642AB|Caswell No. 839A|CL217,300|Combat|Compound A|EPA Pesticide Chemical Code 118401|Maxforce|Maxforce Gel K|Maxforce Roach Killer Bait Gel|NSC 379665|Tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone [p-(trifluoromethyl)-a-[p-(trifluoromethyl)styryl]cinnamylidene]hydrazone|UNII-J265GZ7MFJ|Wipeout|70829-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023868
ERPathway2016 ERPathway2016_200 Hydramethylnon 67485-29-4 DTXSID6023868 Agonist ER Pathway Model, Antagonist ACC 1.47744340786765 uM CC1(C)CNC(NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC2=CC=C(C=C2)C(F)(F)F)=NC1 Hydramethylnon 67485-29-4|Hydramethylnon|1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, 2-(1,4,5,6-tetrahydro-5,5-dimethyl-2-pyrimidinyl)hydrazone|2(1H)-Pyrimidinone, tetrahydro-5,5-dimethyl-, [3-[4-(trifluoromethyl)phenyl]-1-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-propenylidene]hydrazone|5,5-Dimethylperhydropyrimidin-2-one-(4-trifluoromethyl-a- trifluoromethylstyryl)cinnamylidenehydrazone|AC 217300|Amdro|BAS 3151|BRN 6015162|Caswell No. 642AB|Caswell No. 839A|CL217,300|Combat|Compound A|EPA Pesticide Chemical Code 118401|Maxforce|Maxforce Gel K|Maxforce Roach Killer Bait Gel|NSC 379665|Tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone [p-(trifluoromethyl)-a-[p-(trifluoromethyl)styryl]cinnamylidene]hydrazone|UNII-J265GZ7MFJ|Wipeout|70829-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023868
ERPathway2016 ERPathway2016_200 Hydramethylnon 67485-29-4 DTXSID6023868 Agonist ER Pathway Model, Agonist Model Score 0.2 Unitless CC1(C)CNC(NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC2=CC=C(C=C2)C(F)(F)F)=NC1 Hydramethylnon 67485-29-4|Hydramethylnon|1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, 2-(1,4,5,6-tetrahydro-5,5-dimethyl-2-pyrimidinyl)hydrazone|2(1H)-Pyrimidinone, tetrahydro-5,5-dimethyl-, [3-[4-(trifluoromethyl)phenyl]-1-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-propenylidene]hydrazone|5,5-Dimethylperhydropyrimidin-2-one-(4-trifluoromethyl-a- trifluoromethylstyryl)cinnamylidenehydrazone|AC 217300|Amdro|BAS 3151|BRN 6015162|Caswell No. 642AB|Caswell No. 839A|CL217,300|Combat|Compound A|EPA Pesticide Chemical Code 118401|Maxforce|Maxforce Gel K|Maxforce Roach Killer Bait Gel|NSC 379665|Tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone [p-(trifluoromethyl)-a-[p-(trifluoromethyl)styryl]cinnamylidene]hydrazone|UNII-J265GZ7MFJ|Wipeout|70829-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023868
ERPathway2016 ERPathway2016_200 Hydramethylnon 67485-29-4 DTXSID6023868 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)CNC(NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC2=CC=C(C=C2)C(F)(F)F)=NC1 Hydramethylnon 67485-29-4|Hydramethylnon|1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, 2-(1,4,5,6-tetrahydro-5,5-dimethyl-2-pyrimidinyl)hydrazone|2(1H)-Pyrimidinone, tetrahydro-5,5-dimethyl-, [3-[4-(trifluoromethyl)phenyl]-1-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-propenylidene]hydrazone|5,5-Dimethylperhydropyrimidin-2-one-(4-trifluoromethyl-a- trifluoromethylstyryl)cinnamylidenehydrazone|AC 217300|Amdro|BAS 3151|BRN 6015162|Caswell No. 642AB|Caswell No. 839A|CL217,300|Combat|Compound A|EPA Pesticide Chemical Code 118401|Maxforce|Maxforce Gel K|Maxforce Roach Killer Bait Gel|NSC 379665|Tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone [p-(trifluoromethyl)-a-[p-(trifluoromethyl)styryl]cinnamylidene]hydrazone|UNII-J265GZ7MFJ|Wipeout|70829-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023868
ERPathway2016 ERPathway2016_200 Hydramethylnon 67485-29-4 DTXSID6023868 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC1(C)CNC(NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC2=CC=C(C=C2)C(F)(F)F)=NC1 Hydramethylnon 67485-29-4|Hydramethylnon|1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, 2-(1,4,5,6-tetrahydro-5,5-dimethyl-2-pyrimidinyl)hydrazone|2(1H)-Pyrimidinone, tetrahydro-5,5-dimethyl-, [3-[4-(trifluoromethyl)phenyl]-1-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-propenylidene]hydrazone|5,5-Dimethylperhydropyrimidin-2-one-(4-trifluoromethyl-a- trifluoromethylstyryl)cinnamylidenehydrazone|AC 217300|Amdro|BAS 3151|BRN 6015162|Caswell No. 642AB|Caswell No. 839A|CL217,300|Combat|Compound A|EPA Pesticide Chemical Code 118401|Maxforce|Maxforce Gel K|Maxforce Roach Killer Bait Gel|NSC 379665|Tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone [p-(trifluoromethyl)-a-[p-(trifluoromethyl)styryl]cinnamylidene]hydrazone|UNII-J265GZ7MFJ|Wipeout|70829-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023868
ERPathway2016 ERPathway2016_200 Hydramethylnon 67485-29-4 DTXSID6023868 Agonist ER Pathway Model, Antagonist Call Active Unitless CC1(C)CNC(NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC2=CC=C(C=C2)C(F)(F)F)=NC1 Hydramethylnon 67485-29-4|Hydramethylnon|1,4-Pentadien-3-one, 1,5-bis[4-(trifluoromethyl)phenyl]-, 2-(1,4,5,6-tetrahydro-5,5-dimethyl-2-pyrimidinyl)hydrazone|2(1H)-Pyrimidinone, tetrahydro-5,5-dimethyl-, [3-[4-(trifluoromethyl)phenyl]-1-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-propenylidene]hydrazone|5,5-Dimethylperhydropyrimidin-2-one-(4-trifluoromethyl-a- trifluoromethylstyryl)cinnamylidenehydrazone|AC 217300|Amdro|BAS 3151|BRN 6015162|Caswell No. 642AB|Caswell No. 839A|CL217,300|Combat|Compound A|EPA Pesticide Chemical Code 118401|Maxforce|Maxforce Gel K|Maxforce Roach Killer Bait Gel|NSC 379665|Tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone [p-(trifluoromethyl)-a-[p-(trifluoromethyl)styryl]cinnamylidene]hydrazone|UNII-J265GZ7MFJ|Wipeout|70829-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023868
ARPathway2016 ARPathway2016_1370 Hydrochlorothiazide 58-93-5 DTXSID2020713 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1Cl Hydrochlorothiazide 58-93-5|Hydrochlorothiazide|2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1, 1-dioxide|2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide|3,4-Dihydro-6-chloro-7-sulfamyl-1,2,4-benzothiadiazine-1,1-dioxide|3,4-Dihydrochlorothiazide|6-chloro-1,1-dioxo-3,4-dihydro-2H-1l6,2,4-benzothiadiazine-7-sulfonamide|6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide|6-Chloro-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide|6-Chloro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide|6-Chloro-7-sulfamoyl-3,4-dihydrobenzo-1,2,4-thiadiazine-1,1-dioxide|Acesistem|Acuilix|Acuretic|Aldactazide|Aldactazide 25/25|Aldazida|Aldectazide 50/50|Aldoril|Apo-Hydro|Apresazide|Aquarills|Aquarius|Aquazide|Aquazide H|Aquazide-H|Bremil|Briazide|BRN 0625101|Caplaril|Capozide|Carozide|Catiazida|Chlorizide|Chlorosulthiadil|Chlorothiazide|Chlorsulfonamidodihydrobenzothiadiazine dioxide|Chlorsulthiadil|Chlorzide|Chlothia|Cidrex|Clorana|Clothia|Concor Plus|Condiuren|Dichlorosal|Dichlothiaz|125727-50-6|8049-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020713 https://doi.org/10.22427/NTP-DATA-DTXSID2020713
ARPathway2016 ARPathway2016_1370 Hydrochlorothiazide 58-93-5 DTXSID2020713 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1Cl Hydrochlorothiazide 58-93-5|Hydrochlorothiazide|2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1, 1-dioxide|2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide|3,4-Dihydro-6-chloro-7-sulfamyl-1,2,4-benzothiadiazine-1,1-dioxide|3,4-Dihydrochlorothiazide|6-chloro-1,1-dioxo-3,4-dihydro-2H-1l6,2,4-benzothiadiazine-7-sulfonamide|6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide|6-Chloro-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide|6-Chloro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide|6-Chloro-7-sulfamoyl-3,4-dihydrobenzo-1,2,4-thiadiazine-1,1-dioxide|Acesistem|Acuilix|Acuretic|Aldactazide|Aldactazide 25/25|Aldazida|Aldectazide 50/50|Aldoril|Apo-Hydro|Apresazide|Aquarills|Aquarius|Aquazide|Aquazide H|Aquazide-H|Bremil|Briazide|BRN 0625101|Caplaril|Capozide|Carozide|Catiazida|Chlorizide|Chlorosulthiadil|Chlorothiazide|Chlorsulfonamidodihydrobenzothiadiazine dioxide|Chlorsulthiadil|Chlorzide|Chlothia|Cidrex|Clorana|Clothia|Concor Plus|Condiuren|Dichlorosal|Dichlothiaz|125727-50-6|8049-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020713 https://doi.org/10.22427/NTP-DATA-DTXSID2020713
ARPathway2016 ARPathway2016_1370 Hydrochlorothiazide 58-93-5 DTXSID2020713 0.0 AR Pathway Model, Agonist Call Inactive Unitless NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1Cl Hydrochlorothiazide 58-93-5|Hydrochlorothiazide|2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1, 1-dioxide|2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide|3,4-Dihydro-6-chloro-7-sulfamyl-1,2,4-benzothiadiazine-1,1-dioxide|3,4-Dihydrochlorothiazide|6-chloro-1,1-dioxo-3,4-dihydro-2H-1l6,2,4-benzothiadiazine-7-sulfonamide|6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide|6-Chloro-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide|6-Chloro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide|6-Chloro-7-sulfamoyl-3,4-dihydrobenzo-1,2,4-thiadiazine-1,1-dioxide|Acesistem|Acuilix|Acuretic|Aldactazide|Aldactazide 25/25|Aldazida|Aldectazide 50/50|Aldoril|Apo-Hydro|Apresazide|Aquarills|Aquarius|Aquazide|Aquazide H|Aquazide-H|Bremil|Briazide|BRN 0625101|Caplaril|Capozide|Carozide|Catiazida|Chlorizide|Chlorosulthiadil|Chlorothiazide|Chlorsulfonamidodihydrobenzothiadiazine dioxide|Chlorsulthiadil|Chlorzide|Chlothia|Cidrex|Clorana|Clothia|Concor Plus|Condiuren|Dichlorosal|Dichlothiaz|125727-50-6|8049-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020713 https://doi.org/10.22427/NTP-DATA-DTXSID2020713
ARPathway2016 ARPathway2016_1370 Hydrochlorothiazide 58-93-5 DTXSID2020713 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1Cl Hydrochlorothiazide 58-93-5|Hydrochlorothiazide|2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1, 1-dioxide|2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide|3,4-Dihydro-6-chloro-7-sulfamyl-1,2,4-benzothiadiazine-1,1-dioxide|3,4-Dihydrochlorothiazide|6-chloro-1,1-dioxo-3,4-dihydro-2H-1l6,2,4-benzothiadiazine-7-sulfonamide|6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide|6-Chloro-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide|6-Chloro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide|6-Chloro-7-sulfamoyl-3,4-dihydrobenzo-1,2,4-thiadiazine-1,1-dioxide|Acesistem|Acuilix|Acuretic|Aldactazide|Aldactazide 25/25|Aldazida|Aldectazide 50/50|Aldoril|Apo-Hydro|Apresazide|Aquarills|Aquarius|Aquazide|Aquazide H|Aquazide-H|Bremil|Briazide|BRN 0625101|Caplaril|Capozide|Carozide|Catiazida|Chlorizide|Chlorosulthiadil|Chlorothiazide|Chlorsulfonamidodihydrobenzothiadiazine dioxide|Chlorsulthiadil|Chlorzide|Chlothia|Cidrex|Clorana|Clothia|Concor Plus|Condiuren|Dichlorosal|Dichlothiaz|125727-50-6|8049-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020713 https://doi.org/10.22427/NTP-DATA-DTXSID2020713
ERPathway2016 ERPathway2016_740 Hydrochlorothiazide 58-93-5 DTXSID2020713 A13 ER Pathway Model, Agonist Model Score 0 Unitless NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1Cl Hydrochlorothiazide 58-93-5|Hydrochlorothiazide|2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1, 1-dioxide|2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide|3,4-Dihydro-6-chloro-7-sulfamyl-1,2,4-benzothiadiazine-1,1-dioxide|3,4-Dihydrochlorothiazide|6-chloro-1,1-dioxo-3,4-dihydro-2H-1l6,2,4-benzothiadiazine-7-sulfonamide|6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide|6-Chloro-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide|6-Chloro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide|6-Chloro-7-sulfamoyl-3,4-dihydrobenzo-1,2,4-thiadiazine-1,1-dioxide|Acesistem|Acuilix|Acuretic|Aldactazide|Aldactazide 25/25|Aldazida|Aldectazide 50/50|Aldoril|Apo-Hydro|Apresazide|Aquarills|Aquarius|Aquazide|Aquazide H|Aquazide-H|Bremil|Briazide|BRN 0625101|Caplaril|Capozide|Carozide|Catiazida|Chlorizide|Chlorosulthiadil|Chlorothiazide|Chlorsulfonamidodihydrobenzothiadiazine dioxide|Chlorsulthiadil|Chlorzide|Chlothia|Cidrex|Clorana|Clothia|Concor Plus|Condiuren|Dichlorosal|Dichlothiaz|125727-50-6|8049-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020713 https://doi.org/10.22427/NTP-DATA-DTXSID2020713
ERPathway2016 ERPathway2016_740 Hydrochlorothiazide 58-93-5 DTXSID2020713 A13 ER Pathway Model, Antagonist Model Score 0 Unitless NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1Cl Hydrochlorothiazide 58-93-5|Hydrochlorothiazide|2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1, 1-dioxide|2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide|3,4-Dihydro-6-chloro-7-sulfamyl-1,2,4-benzothiadiazine-1,1-dioxide|3,4-Dihydrochlorothiazide|6-chloro-1,1-dioxo-3,4-dihydro-2H-1l6,2,4-benzothiadiazine-7-sulfonamide|6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide|6-Chloro-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide|6-Chloro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide|6-Chloro-7-sulfamoyl-3,4-dihydrobenzo-1,2,4-thiadiazine-1,1-dioxide|Acesistem|Acuilix|Acuretic|Aldactazide|Aldactazide 25/25|Aldazida|Aldectazide 50/50|Aldoril|Apo-Hydro|Apresazide|Aquarills|Aquarius|Aquazide|Aquazide H|Aquazide-H|Bremil|Briazide|BRN 0625101|Caplaril|Capozide|Carozide|Catiazida|Chlorizide|Chlorosulthiadil|Chlorothiazide|Chlorsulfonamidodihydrobenzothiadiazine dioxide|Chlorsulthiadil|Chlorzide|Chlothia|Cidrex|Clorana|Clothia|Concor Plus|Condiuren|Dichlorosal|Dichlothiaz|125727-50-6|8049-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020713 https://doi.org/10.22427/NTP-DATA-DTXSID2020713
ERPathway2016 ERPathway2016_740 Hydrochlorothiazide 58-93-5 DTXSID2020713 A13 ER Pathway Model, Agonist Call Inactive Unitless NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1Cl Hydrochlorothiazide 58-93-5|Hydrochlorothiazide|2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1, 1-dioxide|2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide|3,4-Dihydro-6-chloro-7-sulfamyl-1,2,4-benzothiadiazine-1,1-dioxide|3,4-Dihydrochlorothiazide|6-chloro-1,1-dioxo-3,4-dihydro-2H-1l6,2,4-benzothiadiazine-7-sulfonamide|6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide|6-Chloro-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide|6-Chloro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide|6-Chloro-7-sulfamoyl-3,4-dihydrobenzo-1,2,4-thiadiazine-1,1-dioxide|Acesistem|Acuilix|Acuretic|Aldactazide|Aldactazide 25/25|Aldazida|Aldectazide 50/50|Aldoril|Apo-Hydro|Apresazide|Aquarills|Aquarius|Aquazide|Aquazide H|Aquazide-H|Bremil|Briazide|BRN 0625101|Caplaril|Capozide|Carozide|Catiazida|Chlorizide|Chlorosulthiadil|Chlorothiazide|Chlorsulfonamidodihydrobenzothiadiazine dioxide|Chlorsulthiadil|Chlorzide|Chlothia|Cidrex|Clorana|Clothia|Concor Plus|Condiuren|Dichlorosal|Dichlothiaz|125727-50-6|8049-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020713 https://doi.org/10.22427/NTP-DATA-DTXSID2020713
ERPathway2016 ERPathway2016_740 Hydrochlorothiazide 58-93-5 DTXSID2020713 A13 ER Pathway Model, Antagonist Call Inactive Unitless NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1Cl Hydrochlorothiazide 58-93-5|Hydrochlorothiazide|2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1, 1-dioxide|2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide|3,4-Dihydro-6-chloro-7-sulfamyl-1,2,4-benzothiadiazine-1,1-dioxide|3,4-Dihydrochlorothiazide|6-chloro-1,1-dioxo-3,4-dihydro-2H-1l6,2,4-benzothiadiazine-7-sulfonamide|6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide|6-Chloro-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide|6-Chloro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide|6-Chloro-7-sulfamoyl-3,4-dihydrobenzo-1,2,4-thiadiazine-1,1-dioxide|Acesistem|Acuilix|Acuretic|Aldactazide|Aldactazide 25/25|Aldazida|Aldectazide 50/50|Aldoril|Apo-Hydro|Apresazide|Aquarills|Aquarius|Aquazide|Aquazide H|Aquazide-H|Bremil|Briazide|BRN 0625101|Caplaril|Capozide|Carozide|Catiazida|Chlorizide|Chlorosulthiadil|Chlorothiazide|Chlorsulfonamidodihydrobenzothiadiazine dioxide|Chlorsulthiadil|Chlorzide|Chlothia|Cidrex|Clorana|Clothia|Concor Plus|Condiuren|Dichlorosal|Dichlothiaz|125727-50-6|8049-49-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020713 https://doi.org/10.22427/NTP-DATA-DTXSID2020713
ARPathway2016 ARPathway2016_717 Hydroquinone 123-31-9 DTXSID7020716 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(O)C=C1 Hydroquinone 123-31-9|Hydroquinone|1,4-Benzenediol|1,4-Benzoquinol|1,4-Dihydroquinone|1,4-Dihydroxy-benzeen|1,4-Dihydroxy-benzol|1,4-Dihydroxybenzen|1,4-Dihydroxybenzene|1,4-Diidrobenzene|4-Hydroxyphenol|a-Hydroquinone|alpha-Hydroquinone|Arctuvin|b-Quinol|BENZENE, 1,4-DIHYDROXY-|Benzene, p-dihydroxy-|Benzohydroquinone|Benzoquinol|beta-Quinol|Black & White Bleaching Cream|Black and White Bleaching Cream|Derma-Blanch|Dihydroquinone|Dihydroxybenzene|EINECS 204-617-8|Eldopacque|Eldopaque|Eldopaque Forte|Eldoquin|Eldoquin Forte|Epiquin|hidroquinona|Hidroquinone|Hydrochinon|Hydroquinol|Hydroquinole|Hydroquinone|Hydroquinone for synthesis|Hydroquinone gr|Hydroquinoue|Idrochinone|Melanex|NCI-C55834|NSC 9247|p-Benzenediol|p-Dihydroquinone|P-DIHYDROXYBENZENE|p-Dioxobenzene|p-Dioxybenzene|p-Hydroquinone|p-Hydroxybenzene|P-HYDROXYPHENOL|p-Phenylenediol|p-Quinol|para-Dihydroxybenzene|para-Dioxybenzene|para-Hydroquinone|Phiaquin|Pyrogentistic acid|Solaquin Forte|Sunvanish|Tecquinol|Tenox HQ|Tequinol|UN 2662|UNII-XV74C1N1AE|USAF EK-356|57534-13-1|8027-02-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020716 https://doi.org/10.22427/NTP-DATA-DTXSID7020716
ARPathway2016 ARPathway2016_717 Hydroquinone 123-31-9 DTXSID7020716 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=C(O)C=C1 Hydroquinone 123-31-9|Hydroquinone|1,4-Benzenediol|1,4-Benzoquinol|1,4-Dihydroquinone|1,4-Dihydroxy-benzeen|1,4-Dihydroxy-benzol|1,4-Dihydroxybenzen|1,4-Dihydroxybenzene|1,4-Diidrobenzene|4-Hydroxyphenol|a-Hydroquinone|alpha-Hydroquinone|Arctuvin|b-Quinol|BENZENE, 1,4-DIHYDROXY-|Benzene, p-dihydroxy-|Benzohydroquinone|Benzoquinol|beta-Quinol|Black & White Bleaching Cream|Black and White Bleaching Cream|Derma-Blanch|Dihydroquinone|Dihydroxybenzene|EINECS 204-617-8|Eldopacque|Eldopaque|Eldopaque Forte|Eldoquin|Eldoquin Forte|Epiquin|hidroquinona|Hidroquinone|Hydrochinon|Hydroquinol|Hydroquinole|Hydroquinone|Hydroquinone for synthesis|Hydroquinone gr|Hydroquinoue|Idrochinone|Melanex|NCI-C55834|NSC 9247|p-Benzenediol|p-Dihydroquinone|P-DIHYDROXYBENZENE|p-Dioxobenzene|p-Dioxybenzene|p-Hydroquinone|p-Hydroxybenzene|P-HYDROXYPHENOL|p-Phenylenediol|p-Quinol|para-Dihydroxybenzene|para-Dioxybenzene|para-Hydroquinone|Phiaquin|Pyrogentistic acid|Solaquin Forte|Sunvanish|Tecquinol|Tenox HQ|Tequinol|UN 2662|UNII-XV74C1N1AE|USAF EK-356|57534-13-1|8027-02-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020716 https://doi.org/10.22427/NTP-DATA-DTXSID7020716
ARPathway2016 ARPathway2016_717 Hydroquinone 123-31-9 DTXSID7020716 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(O)C=C1 Hydroquinone 123-31-9|Hydroquinone|1,4-Benzenediol|1,4-Benzoquinol|1,4-Dihydroquinone|1,4-Dihydroxy-benzeen|1,4-Dihydroxy-benzol|1,4-Dihydroxybenzen|1,4-Dihydroxybenzene|1,4-Diidrobenzene|4-Hydroxyphenol|a-Hydroquinone|alpha-Hydroquinone|Arctuvin|b-Quinol|BENZENE, 1,4-DIHYDROXY-|Benzene, p-dihydroxy-|Benzohydroquinone|Benzoquinol|beta-Quinol|Black & White Bleaching Cream|Black and White Bleaching Cream|Derma-Blanch|Dihydroquinone|Dihydroxybenzene|EINECS 204-617-8|Eldopacque|Eldopaque|Eldopaque Forte|Eldoquin|Eldoquin Forte|Epiquin|hidroquinona|Hidroquinone|Hydrochinon|Hydroquinol|Hydroquinole|Hydroquinone|Hydroquinone for synthesis|Hydroquinone gr|Hydroquinoue|Idrochinone|Melanex|NCI-C55834|NSC 9247|p-Benzenediol|p-Dihydroquinone|P-DIHYDROXYBENZENE|p-Dioxobenzene|p-Dioxybenzene|p-Hydroquinone|p-Hydroxybenzene|P-HYDROXYPHENOL|p-Phenylenediol|p-Quinol|para-Dihydroxybenzene|para-Dioxybenzene|para-Hydroquinone|Phiaquin|Pyrogentistic acid|Solaquin Forte|Sunvanish|Tecquinol|Tenox HQ|Tequinol|UN 2662|UNII-XV74C1N1AE|USAF EK-356|57534-13-1|8027-02-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020716 https://doi.org/10.22427/NTP-DATA-DTXSID7020716
ARPathway2016 ARPathway2016_717 Hydroquinone 123-31-9 DTXSID7020716 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(O)C=C1 Hydroquinone 123-31-9|Hydroquinone|1,4-Benzenediol|1,4-Benzoquinol|1,4-Dihydroquinone|1,4-Dihydroxy-benzeen|1,4-Dihydroxy-benzol|1,4-Dihydroxybenzen|1,4-Dihydroxybenzene|1,4-Diidrobenzene|4-Hydroxyphenol|a-Hydroquinone|alpha-Hydroquinone|Arctuvin|b-Quinol|BENZENE, 1,4-DIHYDROXY-|Benzene, p-dihydroxy-|Benzohydroquinone|Benzoquinol|beta-Quinol|Black & White Bleaching Cream|Black and White Bleaching Cream|Derma-Blanch|Dihydroquinone|Dihydroxybenzene|EINECS 204-617-8|Eldopacque|Eldopaque|Eldopaque Forte|Eldoquin|Eldoquin Forte|Epiquin|hidroquinona|Hidroquinone|Hydrochinon|Hydroquinol|Hydroquinole|Hydroquinone|Hydroquinone for synthesis|Hydroquinone gr|Hydroquinoue|Idrochinone|Melanex|NCI-C55834|NSC 9247|p-Benzenediol|p-Dihydroquinone|P-DIHYDROXYBENZENE|p-Dioxobenzene|p-Dioxybenzene|p-Hydroquinone|p-Hydroxybenzene|P-HYDROXYPHENOL|p-Phenylenediol|p-Quinol|para-Dihydroxybenzene|para-Dioxybenzene|para-Hydroquinone|Phiaquin|Pyrogentistic acid|Solaquin Forte|Sunvanish|Tecquinol|Tenox HQ|Tequinol|UN 2662|UNII-XV74C1N1AE|USAF EK-356|57534-13-1|8027-02-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020716 https://doi.org/10.22427/NTP-DATA-DTXSID7020716
ERPathway2016 ERPathway2016_858 Hydroquinone 123-31-9 DTXSID7020716 ER Pathway Model, Agonist Model Score 0 Unitless OC1=CC=C(O)C=C1 Hydroquinone 123-31-9|Hydroquinone|1,4-Benzenediol|1,4-Benzoquinol|1,4-Dihydroquinone|1,4-Dihydroxy-benzeen|1,4-Dihydroxy-benzol|1,4-Dihydroxybenzen|1,4-Dihydroxybenzene|1,4-Diidrobenzene|4-Hydroxyphenol|a-Hydroquinone|alpha-Hydroquinone|Arctuvin|b-Quinol|BENZENE, 1,4-DIHYDROXY-|Benzene, p-dihydroxy-|Benzohydroquinone|Benzoquinol|beta-Quinol|Black & White Bleaching Cream|Black and White Bleaching Cream|Derma-Blanch|Dihydroquinone|Dihydroxybenzene|EINECS 204-617-8|Eldopacque|Eldopaque|Eldopaque Forte|Eldoquin|Eldoquin Forte|Epiquin|hidroquinona|Hidroquinone|Hydrochinon|Hydroquinol|Hydroquinole|Hydroquinone|Hydroquinone for synthesis|Hydroquinone gr|Hydroquinoue|Idrochinone|Melanex|NCI-C55834|NSC 9247|p-Benzenediol|p-Dihydroquinone|P-DIHYDROXYBENZENE|p-Dioxobenzene|p-Dioxybenzene|p-Hydroquinone|p-Hydroxybenzene|P-HYDROXYPHENOL|p-Phenylenediol|p-Quinol|para-Dihydroxybenzene|para-Dioxybenzene|para-Hydroquinone|Phiaquin|Pyrogentistic acid|Solaquin Forte|Sunvanish|Tecquinol|Tenox HQ|Tequinol|UN 2662|UNII-XV74C1N1AE|USAF EK-356|57534-13-1|8027-02-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020716 https://doi.org/10.22427/NTP-DATA-DTXSID7020716
ERPathway2016 ERPathway2016_858 Hydroquinone 123-31-9 DTXSID7020716 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(O)C=C1 Hydroquinone 123-31-9|Hydroquinone|1,4-Benzenediol|1,4-Benzoquinol|1,4-Dihydroquinone|1,4-Dihydroxy-benzeen|1,4-Dihydroxy-benzol|1,4-Dihydroxybenzen|1,4-Dihydroxybenzene|1,4-Diidrobenzene|4-Hydroxyphenol|a-Hydroquinone|alpha-Hydroquinone|Arctuvin|b-Quinol|BENZENE, 1,4-DIHYDROXY-|Benzene, p-dihydroxy-|Benzohydroquinone|Benzoquinol|beta-Quinol|Black & White Bleaching Cream|Black and White Bleaching Cream|Derma-Blanch|Dihydroquinone|Dihydroxybenzene|EINECS 204-617-8|Eldopacque|Eldopaque|Eldopaque Forte|Eldoquin|Eldoquin Forte|Epiquin|hidroquinona|Hidroquinone|Hydrochinon|Hydroquinol|Hydroquinole|Hydroquinone|Hydroquinone for synthesis|Hydroquinone gr|Hydroquinoue|Idrochinone|Melanex|NCI-C55834|NSC 9247|p-Benzenediol|p-Dihydroquinone|P-DIHYDROXYBENZENE|p-Dioxobenzene|p-Dioxybenzene|p-Hydroquinone|p-Hydroxybenzene|P-HYDROXYPHENOL|p-Phenylenediol|p-Quinol|para-Dihydroxybenzene|para-Dioxybenzene|para-Hydroquinone|Phiaquin|Pyrogentistic acid|Solaquin Forte|Sunvanish|Tecquinol|Tenox HQ|Tequinol|UN 2662|UNII-XV74C1N1AE|USAF EK-356|57534-13-1|8027-02-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020716 https://doi.org/10.22427/NTP-DATA-DTXSID7020716
ERPathway2016 ERPathway2016_858 Hydroquinone 123-31-9 DTXSID7020716 ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(O)C=C1 Hydroquinone 123-31-9|Hydroquinone|1,4-Benzenediol|1,4-Benzoquinol|1,4-Dihydroquinone|1,4-Dihydroxy-benzeen|1,4-Dihydroxy-benzol|1,4-Dihydroxybenzen|1,4-Dihydroxybenzene|1,4-Diidrobenzene|4-Hydroxyphenol|a-Hydroquinone|alpha-Hydroquinone|Arctuvin|b-Quinol|BENZENE, 1,4-DIHYDROXY-|Benzene, p-dihydroxy-|Benzohydroquinone|Benzoquinol|beta-Quinol|Black & White Bleaching Cream|Black and White Bleaching Cream|Derma-Blanch|Dihydroquinone|Dihydroxybenzene|EINECS 204-617-8|Eldopacque|Eldopaque|Eldopaque Forte|Eldoquin|Eldoquin Forte|Epiquin|hidroquinona|Hidroquinone|Hydrochinon|Hydroquinol|Hydroquinole|Hydroquinone|Hydroquinone for synthesis|Hydroquinone gr|Hydroquinoue|Idrochinone|Melanex|NCI-C55834|NSC 9247|p-Benzenediol|p-Dihydroquinone|P-DIHYDROXYBENZENE|p-Dioxobenzene|p-Dioxybenzene|p-Hydroquinone|p-Hydroxybenzene|P-HYDROXYPHENOL|p-Phenylenediol|p-Quinol|para-Dihydroxybenzene|para-Dioxybenzene|para-Hydroquinone|Phiaquin|Pyrogentistic acid|Solaquin Forte|Sunvanish|Tecquinol|Tenox HQ|Tequinol|UN 2662|UNII-XV74C1N1AE|USAF EK-356|57534-13-1|8027-02-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020716 https://doi.org/10.22427/NTP-DATA-DTXSID7020716
ERPathway2016 ERPathway2016_858 Hydroquinone 123-31-9 DTXSID7020716 ER Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(O)C=C1 Hydroquinone 123-31-9|Hydroquinone|1,4-Benzenediol|1,4-Benzoquinol|1,4-Dihydroquinone|1,4-Dihydroxy-benzeen|1,4-Dihydroxy-benzol|1,4-Dihydroxybenzen|1,4-Dihydroxybenzene|1,4-Diidrobenzene|4-Hydroxyphenol|a-Hydroquinone|alpha-Hydroquinone|Arctuvin|b-Quinol|BENZENE, 1,4-DIHYDROXY-|Benzene, p-dihydroxy-|Benzohydroquinone|Benzoquinol|beta-Quinol|Black & White Bleaching Cream|Black and White Bleaching Cream|Derma-Blanch|Dihydroquinone|Dihydroxybenzene|EINECS 204-617-8|Eldopacque|Eldopaque|Eldopaque Forte|Eldoquin|Eldoquin Forte|Epiquin|hidroquinona|Hidroquinone|Hydrochinon|Hydroquinol|Hydroquinole|Hydroquinone|Hydroquinone for synthesis|Hydroquinone gr|Hydroquinoue|Idrochinone|Melanex|NCI-C55834|NSC 9247|p-Benzenediol|p-Dihydroquinone|P-DIHYDROXYBENZENE|p-Dioxobenzene|p-Dioxybenzene|p-Hydroquinone|p-Hydroxybenzene|P-HYDROXYPHENOL|p-Phenylenediol|p-Quinol|para-Dihydroxybenzene|para-Dioxybenzene|para-Hydroquinone|Phiaquin|Pyrogentistic acid|Solaquin Forte|Sunvanish|Tecquinol|Tenox HQ|Tequinol|UN 2662|UNII-XV74C1N1AE|USAF EK-356|57534-13-1|8027-02-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020716 https://doi.org/10.22427/NTP-DATA-DTXSID7020716
ARPathway2016 ARPathway2016_883 Hydroquinone dimethyl ether 150-78-7 DTXSID0022014 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(OC)C=C1 Hydroquinone dimethyl ether 150-78-7|Hydroquinone dimethyl ether|1,4-Dimethoxy-benzene|1,4-dimethoxybenzene|1,4-Dimethoxybenzol|1,4-dimetoxibenceno|4-Methoxyanisole|Anisole, p-methoxy-|Benzene, 1,4-dimethoxy-|Benzene, p-dimethoxy-|Dimethyl ether hydroquinone|Dimethyl hydroquinone|Dimethylether hydrochinonu|DIMETHYLHYDROQUINONE|Dimethylhydroquinone ether|EINECS 205-771-9|FEMA No. 2386|HYDROCHINON-DIMETHYLAETHER|Hydroquinone, dimethyl ether|Methyl 4-methoxyphenyl ether|Methyl p-methoxyphenyl ether|NSC 7483|p-Dimethoxybenzene|p-Hydroquinone dimethyl ether|p-Methoxyanisole|Quinol dimethyl ether|UNII-24WC6T6X0G|USAF uctl-1791 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022014 https://doi.org/10.22427/NTP-DATA-DTXSID0022014
ARPathway2016 ARPathway2016_883 Hydroquinone dimethyl ether 150-78-7 DTXSID0022014 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(OC)C=C1 Hydroquinone dimethyl ether 150-78-7|Hydroquinone dimethyl ether|1,4-Dimethoxy-benzene|1,4-dimethoxybenzene|1,4-Dimethoxybenzol|1,4-dimetoxibenceno|4-Methoxyanisole|Anisole, p-methoxy-|Benzene, 1,4-dimethoxy-|Benzene, p-dimethoxy-|Dimethyl ether hydroquinone|Dimethyl hydroquinone|Dimethylether hydrochinonu|DIMETHYLHYDROQUINONE|Dimethylhydroquinone ether|EINECS 205-771-9|FEMA No. 2386|HYDROCHINON-DIMETHYLAETHER|Hydroquinone, dimethyl ether|Methyl 4-methoxyphenyl ether|Methyl p-methoxyphenyl ether|NSC 7483|p-Dimethoxybenzene|p-Hydroquinone dimethyl ether|p-Methoxyanisole|Quinol dimethyl ether|UNII-24WC6T6X0G|USAF uctl-1791 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022014 https://doi.org/10.22427/NTP-DATA-DTXSID0022014
ARPathway2016 ARPathway2016_883 Hydroquinone dimethyl ether 150-78-7 DTXSID0022014 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(OC)C=C1 Hydroquinone dimethyl ether 150-78-7|Hydroquinone dimethyl ether|1,4-Dimethoxy-benzene|1,4-dimethoxybenzene|1,4-Dimethoxybenzol|1,4-dimetoxibenceno|4-Methoxyanisole|Anisole, p-methoxy-|Benzene, 1,4-dimethoxy-|Benzene, p-dimethoxy-|Dimethyl ether hydroquinone|Dimethyl hydroquinone|Dimethylether hydrochinonu|DIMETHYLHYDROQUINONE|Dimethylhydroquinone ether|EINECS 205-771-9|FEMA No. 2386|HYDROCHINON-DIMETHYLAETHER|Hydroquinone, dimethyl ether|Methyl 4-methoxyphenyl ether|Methyl p-methoxyphenyl ether|NSC 7483|p-Dimethoxybenzene|p-Hydroquinone dimethyl ether|p-Methoxyanisole|Quinol dimethyl ether|UNII-24WC6T6X0G|USAF uctl-1791 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022014 https://doi.org/10.22427/NTP-DATA-DTXSID0022014
ARPathway2016 ARPathway2016_883 Hydroquinone dimethyl ether 150-78-7 DTXSID0022014 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(OC)C=C1 Hydroquinone dimethyl ether 150-78-7|Hydroquinone dimethyl ether|1,4-Dimethoxy-benzene|1,4-dimethoxybenzene|1,4-Dimethoxybenzol|1,4-dimetoxibenceno|4-Methoxyanisole|Anisole, p-methoxy-|Benzene, 1,4-dimethoxy-|Benzene, p-dimethoxy-|Dimethyl ether hydroquinone|Dimethyl hydroquinone|Dimethylether hydrochinonu|DIMETHYLHYDROQUINONE|Dimethylhydroquinone ether|EINECS 205-771-9|FEMA No. 2386|HYDROCHINON-DIMETHYLAETHER|Hydroquinone, dimethyl ether|Methyl 4-methoxyphenyl ether|Methyl p-methoxyphenyl ether|NSC 7483|p-Dimethoxybenzene|p-Hydroquinone dimethyl ether|p-Methoxyanisole|Quinol dimethyl ether|UNII-24WC6T6X0G|USAF uctl-1791 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022014 https://doi.org/10.22427/NTP-DATA-DTXSID0022014
ERPathway2016 ERPathway2016_1321 Hydroquinone dimethyl ether 150-78-7 DTXSID0022014 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(OC)C=C1 Hydroquinone dimethyl ether 150-78-7|Hydroquinone dimethyl ether|1,4-Dimethoxy-benzene|1,4-dimethoxybenzene|1,4-Dimethoxybenzol|1,4-dimetoxibenceno|4-Methoxyanisole|Anisole, p-methoxy-|Benzene, 1,4-dimethoxy-|Benzene, p-dimethoxy-|Dimethyl ether hydroquinone|Dimethyl hydroquinone|Dimethylether hydrochinonu|DIMETHYLHYDROQUINONE|Dimethylhydroquinone ether|EINECS 205-771-9|FEMA No. 2386|HYDROCHINON-DIMETHYLAETHER|Hydroquinone, dimethyl ether|Methyl 4-methoxyphenyl ether|Methyl p-methoxyphenyl ether|NSC 7483|p-Dimethoxybenzene|p-Hydroquinone dimethyl ether|p-Methoxyanisole|Quinol dimethyl ether|UNII-24WC6T6X0G|USAF uctl-1791 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022014 https://doi.org/10.22427/NTP-DATA-DTXSID0022014
ERPathway2016 ERPathway2016_1321 Hydroquinone dimethyl ether 150-78-7 DTXSID0022014 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(OC)C=C1 Hydroquinone dimethyl ether 150-78-7|Hydroquinone dimethyl ether|1,4-Dimethoxy-benzene|1,4-dimethoxybenzene|1,4-Dimethoxybenzol|1,4-dimetoxibenceno|4-Methoxyanisole|Anisole, p-methoxy-|Benzene, 1,4-dimethoxy-|Benzene, p-dimethoxy-|Dimethyl ether hydroquinone|Dimethyl hydroquinone|Dimethylether hydrochinonu|DIMETHYLHYDROQUINONE|Dimethylhydroquinone ether|EINECS 205-771-9|FEMA No. 2386|HYDROCHINON-DIMETHYLAETHER|Hydroquinone, dimethyl ether|Methyl 4-methoxyphenyl ether|Methyl p-methoxyphenyl ether|NSC 7483|p-Dimethoxybenzene|p-Hydroquinone dimethyl ether|p-Methoxyanisole|Quinol dimethyl ether|UNII-24WC6T6X0G|USAF uctl-1791 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022014 https://doi.org/10.22427/NTP-DATA-DTXSID0022014
ERPathway2016 ERPathway2016_1321 Hydroquinone dimethyl ether 150-78-7 DTXSID0022014 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(OC)C=C1 Hydroquinone dimethyl ether 150-78-7|Hydroquinone dimethyl ether|1,4-Dimethoxy-benzene|1,4-dimethoxybenzene|1,4-Dimethoxybenzol|1,4-dimetoxibenceno|4-Methoxyanisole|Anisole, p-methoxy-|Benzene, 1,4-dimethoxy-|Benzene, p-dimethoxy-|Dimethyl ether hydroquinone|Dimethyl hydroquinone|Dimethylether hydrochinonu|DIMETHYLHYDROQUINONE|Dimethylhydroquinone ether|EINECS 205-771-9|FEMA No. 2386|HYDROCHINON-DIMETHYLAETHER|Hydroquinone, dimethyl ether|Methyl 4-methoxyphenyl ether|Methyl p-methoxyphenyl ether|NSC 7483|p-Dimethoxybenzene|p-Hydroquinone dimethyl ether|p-Methoxyanisole|Quinol dimethyl ether|UNII-24WC6T6X0G|USAF uctl-1791 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022014 https://doi.org/10.22427/NTP-DATA-DTXSID0022014
ERPathway2016 ERPathway2016_1321 Hydroquinone dimethyl ether 150-78-7 DTXSID0022014 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(OC)C=C1 Hydroquinone dimethyl ether 150-78-7|Hydroquinone dimethyl ether|1,4-Dimethoxy-benzene|1,4-dimethoxybenzene|1,4-Dimethoxybenzol|1,4-dimetoxibenceno|4-Methoxyanisole|Anisole, p-methoxy-|Benzene, 1,4-dimethoxy-|Benzene, p-dimethoxy-|Dimethyl ether hydroquinone|Dimethyl hydroquinone|Dimethylether hydrochinonu|DIMETHYLHYDROQUINONE|Dimethylhydroquinone ether|EINECS 205-771-9|FEMA No. 2386|HYDROCHINON-DIMETHYLAETHER|Hydroquinone, dimethyl ether|Methyl 4-methoxyphenyl ether|Methyl p-methoxyphenyl ether|NSC 7483|p-Dimethoxybenzene|p-Hydroquinone dimethyl ether|p-Methoxyanisole|Quinol dimethyl ether|UNII-24WC6T6X0G|USAF uctl-1791 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0022014 https://doi.org/10.22427/NTP-DATA-DTXSID0022014
ARPathway2016 ARPathway2016_498 Hydroxycitronellal 107-75-5 DTXSID6042232 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(CCCC(C)(C)O)CC=O Hydroxycitronellal 107-75-5|Hydroxycitronellal|3,7-dimethyl-7-hydroxyoctan-1-al|3,7-Dimethyl-7-hydroxyoctanal|4-01-00-04058|7-Hydroxy-3,7-dimethyloctan-1-al|7-hydroxycitronellal|BRN 1721290|Citronellal hydrate|Citronellal, hydroxy-|Cyclalia|Cyclosia|EINECS 203-518-7|FEMA No. 2583|hydroxy citronellal|l7-Hydroxy-3,7-dimethyloctanal|Laurine|Lilyl aldehyde|Muguet synthetic|Muguettine principle|Musuet synthetic|Musuettine principle|NSC 406740|Oxydihydrocitronellal|UNII-8SQ0VA4YUR|123238-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042232
ARPathway2016 ARPathway2016_498 Hydroxycitronellal 107-75-5 DTXSID6042232 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(CCCC(C)(C)O)CC=O Hydroxycitronellal 107-75-5|Hydroxycitronellal|3,7-dimethyl-7-hydroxyoctan-1-al|3,7-Dimethyl-7-hydroxyoctanal|4-01-00-04058|7-Hydroxy-3,7-dimethyloctan-1-al|7-hydroxycitronellal|BRN 1721290|Citronellal hydrate|Citronellal, hydroxy-|Cyclalia|Cyclosia|EINECS 203-518-7|FEMA No. 2583|hydroxy citronellal|l7-Hydroxy-3,7-dimethyloctanal|Laurine|Lilyl aldehyde|Muguet synthetic|Muguettine principle|Musuet synthetic|Musuettine principle|NSC 406740|Oxydihydrocitronellal|UNII-8SQ0VA4YUR|123238-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042232
ARPathway2016 ARPathway2016_498 Hydroxycitronellal 107-75-5 DTXSID6042232 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(CCCC(C)(C)O)CC=O Hydroxycitronellal 107-75-5|Hydroxycitronellal|3,7-dimethyl-7-hydroxyoctan-1-al|3,7-Dimethyl-7-hydroxyoctanal|4-01-00-04058|7-Hydroxy-3,7-dimethyloctan-1-al|7-hydroxycitronellal|BRN 1721290|Citronellal hydrate|Citronellal, hydroxy-|Cyclalia|Cyclosia|EINECS 203-518-7|FEMA No. 2583|hydroxy citronellal|l7-Hydroxy-3,7-dimethyloctanal|Laurine|Lilyl aldehyde|Muguet synthetic|Muguettine principle|Musuet synthetic|Musuettine principle|NSC 406740|Oxydihydrocitronellal|UNII-8SQ0VA4YUR|123238-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042232
ARPathway2016 ARPathway2016_498 Hydroxycitronellal 107-75-5 DTXSID6042232 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(CCCC(C)(C)O)CC=O Hydroxycitronellal 107-75-5|Hydroxycitronellal|3,7-dimethyl-7-hydroxyoctan-1-al|3,7-Dimethyl-7-hydroxyoctanal|4-01-00-04058|7-Hydroxy-3,7-dimethyloctan-1-al|7-hydroxycitronellal|BRN 1721290|Citronellal hydrate|Citronellal, hydroxy-|Cyclalia|Cyclosia|EINECS 203-518-7|FEMA No. 2583|hydroxy citronellal|l7-Hydroxy-3,7-dimethyloctanal|Laurine|Lilyl aldehyde|Muguet synthetic|Muguettine principle|Musuet synthetic|Musuettine principle|NSC 406740|Oxydihydrocitronellal|UNII-8SQ0VA4YUR|123238-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042232
ERPathway2016 ERPathway2016_1104 Hydroxycitronellal 107-75-5 DTXSID6042232 ER Pathway Model, Agonist Model Score 0 Unitless CC(CCCC(C)(C)O)CC=O Hydroxycitronellal 107-75-5|Hydroxycitronellal|3,7-dimethyl-7-hydroxyoctan-1-al|3,7-Dimethyl-7-hydroxyoctanal|4-01-00-04058|7-Hydroxy-3,7-dimethyloctan-1-al|7-hydroxycitronellal|BRN 1721290|Citronellal hydrate|Citronellal, hydroxy-|Cyclalia|Cyclosia|EINECS 203-518-7|FEMA No. 2583|hydroxy citronellal|l7-Hydroxy-3,7-dimethyloctanal|Laurine|Lilyl aldehyde|Muguet synthetic|Muguettine principle|Musuet synthetic|Musuettine principle|NSC 406740|Oxydihydrocitronellal|UNII-8SQ0VA4YUR|123238-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042232
ERPathway2016 ERPathway2016_1104 Hydroxycitronellal 107-75-5 DTXSID6042232 ER Pathway Model, Antagonist Model Score 0 Unitless CC(CCCC(C)(C)O)CC=O Hydroxycitronellal 107-75-5|Hydroxycitronellal|3,7-dimethyl-7-hydroxyoctan-1-al|3,7-Dimethyl-7-hydroxyoctanal|4-01-00-04058|7-Hydroxy-3,7-dimethyloctan-1-al|7-hydroxycitronellal|BRN 1721290|Citronellal hydrate|Citronellal, hydroxy-|Cyclalia|Cyclosia|EINECS 203-518-7|FEMA No. 2583|hydroxy citronellal|l7-Hydroxy-3,7-dimethyloctanal|Laurine|Lilyl aldehyde|Muguet synthetic|Muguettine principle|Musuet synthetic|Musuettine principle|NSC 406740|Oxydihydrocitronellal|UNII-8SQ0VA4YUR|123238-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042232
ERPathway2016 ERPathway2016_1104 Hydroxycitronellal 107-75-5 DTXSID6042232 ER Pathway Model, Agonist Call Inactive Unitless CC(CCCC(C)(C)O)CC=O Hydroxycitronellal 107-75-5|Hydroxycitronellal|3,7-dimethyl-7-hydroxyoctan-1-al|3,7-Dimethyl-7-hydroxyoctanal|4-01-00-04058|7-Hydroxy-3,7-dimethyloctan-1-al|7-hydroxycitronellal|BRN 1721290|Citronellal hydrate|Citronellal, hydroxy-|Cyclalia|Cyclosia|EINECS 203-518-7|FEMA No. 2583|hydroxy citronellal|l7-Hydroxy-3,7-dimethyloctanal|Laurine|Lilyl aldehyde|Muguet synthetic|Muguettine principle|Musuet synthetic|Musuettine principle|NSC 406740|Oxydihydrocitronellal|UNII-8SQ0VA4YUR|123238-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042232
ERPathway2016 ERPathway2016_1104 Hydroxycitronellal 107-75-5 DTXSID6042232 ER Pathway Model, Antagonist Call Inactive Unitless CC(CCCC(C)(C)O)CC=O Hydroxycitronellal 107-75-5|Hydroxycitronellal|3,7-dimethyl-7-hydroxyoctan-1-al|3,7-Dimethyl-7-hydroxyoctanal|4-01-00-04058|7-Hydroxy-3,7-dimethyloctan-1-al|7-hydroxycitronellal|BRN 1721290|Citronellal hydrate|Citronellal, hydroxy-|Cyclalia|Cyclosia|EINECS 203-518-7|FEMA No. 2583|hydroxy citronellal|l7-Hydroxy-3,7-dimethyloctanal|Laurine|Lilyl aldehyde|Muguet synthetic|Muguettine principle|Musuet synthetic|Musuettine principle|NSC 406740|Oxydihydrocitronellal|UNII-8SQ0VA4YUR|123238-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042232
ARPathway2016 ARPathway2016_199 Hydroxyflutamide 52806-53-8 DTXSID8033562 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist AC50 1.839611393 uM CC(C)(O)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Hydroxyflutamide 52806-53-8|Hydroxyflutamide|2-Hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide|2-Hydroxyflutamide|Hydroxyniphtholide|Liproca Depot|Propanamide, 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|Sch 16423|UNII-31D90UKP5Y|a,a,a-Trifluoro-2-methyl-4'-nitro-m-lactotoluidide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8033562
ARPathway2016 ARPathway2016_199 Hydroxyflutamide 52806-53-8 DTXSID8033562 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist ACC 1.217326982 uM CC(C)(O)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Hydroxyflutamide 52806-53-8|Hydroxyflutamide|2-Hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide|2-Hydroxyflutamide|Hydroxyniphtholide|Liproca Depot|Propanamide, 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|Sch 16423|UNII-31D90UKP5Y|a,a,a-Trifluoro-2-methyl-4'-nitro-m-lactotoluidide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8033562
ARPathway2016 ARPathway2016_199 Hydroxyflutamide 52806-53-8 DTXSID8033562 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Antagonist Model Score 0.999 Unitless CC(C)(O)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Hydroxyflutamide 52806-53-8|Hydroxyflutamide|2-Hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide|2-Hydroxyflutamide|Hydroxyniphtholide|Liproca Depot|Propanamide, 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|Sch 16423|UNII-31D90UKP5Y|a,a,a-Trifluoro-2-methyl-4'-nitro-m-lactotoluidide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8033562
ARPathway2016 ARPathway2016_199 Hydroxyflutamide 52806-53-8 DTXSID8033562 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist Model Score 0.00113 Unitless CC(C)(O)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Hydroxyflutamide 52806-53-8|Hydroxyflutamide|2-Hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide|2-Hydroxyflutamide|Hydroxyniphtholide|Liproca Depot|Propanamide, 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|Sch 16423|UNII-31D90UKP5Y|a,a,a-Trifluoro-2-methyl-4'-nitro-m-lactotoluidide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8033562
ARPathway2016 ARPathway2016_199 Hydroxyflutamide 52806-53-8 DTXSID8033562 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)(O)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Hydroxyflutamide 52806-53-8|Hydroxyflutamide|2-Hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide|2-Hydroxyflutamide|Hydroxyniphtholide|Liproca Depot|Propanamide, 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|Sch 16423|UNII-31D90UKP5Y|a,a,a-Trifluoro-2-methyl-4'-nitro-m-lactotoluidide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8033562
ARPathway2016 ARPathway2016_199 Hydroxyflutamide 52806-53-8 DTXSID8033562 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(O)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Hydroxyflutamide 52806-53-8|Hydroxyflutamide|2-Hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide|2-Hydroxyflutamide|Hydroxyniphtholide|Liproca Depot|Propanamide, 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|Sch 16423|UNII-31D90UKP5Y|a,a,a-Trifluoro-2-methyl-4'-nitro-m-lactotoluidide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8033562
ERPathway2016 ERPathway2016_694 Hydroxyflutamide 52806-53-8 DTXSID8033562 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(O)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Hydroxyflutamide 52806-53-8|Hydroxyflutamide|2-Hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide|2-Hydroxyflutamide|Hydroxyniphtholide|Liproca Depot|Propanamide, 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|Sch 16423|UNII-31D90UKP5Y|a,a,a-Trifluoro-2-methyl-4'-nitro-m-lactotoluidide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8033562
ERPathway2016 ERPathway2016_694 Hydroxyflutamide 52806-53-8 DTXSID8033562 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(O)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Hydroxyflutamide 52806-53-8|Hydroxyflutamide|2-Hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide|2-Hydroxyflutamide|Hydroxyniphtholide|Liproca Depot|Propanamide, 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|Sch 16423|UNII-31D90UKP5Y|a,a,a-Trifluoro-2-methyl-4'-nitro-m-lactotoluidide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8033562
ERPathway2016 ERPathway2016_694 Hydroxyflutamide 52806-53-8 DTXSID8033562 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(O)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Hydroxyflutamide 52806-53-8|Hydroxyflutamide|2-Hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide|2-Hydroxyflutamide|Hydroxyniphtholide|Liproca Depot|Propanamide, 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|Sch 16423|UNII-31D90UKP5Y|a,a,a-Trifluoro-2-methyl-4'-nitro-m-lactotoluidide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8033562
ERPathway2016 ERPathway2016_694 Hydroxyflutamide 52806-53-8 DTXSID8033562 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(O)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Hydroxyflutamide 52806-53-8|Hydroxyflutamide|2-Hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide|2-Hydroxyflutamide|Hydroxyniphtholide|Liproca Depot|Propanamide, 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-|Sch 16423|UNII-31D90UKP5Y|a,a,a-Trifluoro-2-methyl-4'-nitro-m-lactotoluidide https://comptox.epa.gov/dashboard/chemical/details/DTXSID8033562
ARPathway2016 ARPathway2016_753 Hydroxyurea 127-07-1 DTXSID6025438 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC(=O)NO Hydroxyurea 127-07-1|Hydroxyurea|4-03-00-00170|Biosupressin|BRN 1741548|Carbamohydroxamic acid|Carbamohydroximic acid|Carbamoyl oxime|Carbamyl hydroxamate|EINECS 204-821-7|hidroxicarbamida|HU|Hydreia|hydrixycarbamide|Hydroxicarbamidum|HYDROXY UREA|Hydroxycarbamid|hydroxycarbamide|Hydroxycarbamidum|Hydroxycarbamine|Hydroxyharnstoff|Hydroxylamine, N-(aminocarbonyl)-|Hydroxylamine, N-carbamoyl-|Hydroxylurea|Hydroxyurea|Hydurea|Idrossicarbamide|Litaler|Litalir|N-Carbamoylhydroxylamine|N-HYDROXYHARNSTOFF|N-Hydroxymocovina|N-Hydroxyurea|NCI C04831|NCI-C04831|NSC 32065|Onco-Carbide|Oxyurea|UNII-X6Q56QN5QC|Urea, hydroxy- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025438 https://doi.org/10.22427/NTP-DATA-DTXSID6025438
ARPathway2016 ARPathway2016_753 Hydroxyurea 127-07-1 DTXSID6025438 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC(=O)NO Hydroxyurea 127-07-1|Hydroxyurea|4-03-00-00170|Biosupressin|BRN 1741548|Carbamohydroxamic acid|Carbamohydroximic acid|Carbamoyl oxime|Carbamyl hydroxamate|EINECS 204-821-7|hidroxicarbamida|HU|Hydreia|hydrixycarbamide|Hydroxicarbamidum|HYDROXY UREA|Hydroxycarbamid|hydroxycarbamide|Hydroxycarbamidum|Hydroxycarbamine|Hydroxyharnstoff|Hydroxylamine, N-(aminocarbonyl)-|Hydroxylamine, N-carbamoyl-|Hydroxylurea|Hydroxyurea|Hydurea|Idrossicarbamide|Litaler|Litalir|N-Carbamoylhydroxylamine|N-HYDROXYHARNSTOFF|N-Hydroxymocovina|N-Hydroxyurea|NCI C04831|NCI-C04831|NSC 32065|Onco-Carbide|Oxyurea|UNII-X6Q56QN5QC|Urea, hydroxy- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025438 https://doi.org/10.22427/NTP-DATA-DTXSID6025438
ARPathway2016 ARPathway2016_753 Hydroxyurea 127-07-1 DTXSID6025438 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC(=O)NO Hydroxyurea 127-07-1|Hydroxyurea|4-03-00-00170|Biosupressin|BRN 1741548|Carbamohydroxamic acid|Carbamohydroximic acid|Carbamoyl oxime|Carbamyl hydroxamate|EINECS 204-821-7|hidroxicarbamida|HU|Hydreia|hydrixycarbamide|Hydroxicarbamidum|HYDROXY UREA|Hydroxycarbamid|hydroxycarbamide|Hydroxycarbamidum|Hydroxycarbamine|Hydroxyharnstoff|Hydroxylamine, N-(aminocarbonyl)-|Hydroxylamine, N-carbamoyl-|Hydroxylurea|Hydroxyurea|Hydurea|Idrossicarbamide|Litaler|Litalir|N-Carbamoylhydroxylamine|N-HYDROXYHARNSTOFF|N-Hydroxymocovina|N-Hydroxyurea|NCI C04831|NCI-C04831|NSC 32065|Onco-Carbide|Oxyurea|UNII-X6Q56QN5QC|Urea, hydroxy- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025438 https://doi.org/10.22427/NTP-DATA-DTXSID6025438
ARPathway2016 ARPathway2016_753 Hydroxyurea 127-07-1 DTXSID6025438 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC(=O)NO Hydroxyurea 127-07-1|Hydroxyurea|4-03-00-00170|Biosupressin|BRN 1741548|Carbamohydroxamic acid|Carbamohydroximic acid|Carbamoyl oxime|Carbamyl hydroxamate|EINECS 204-821-7|hidroxicarbamida|HU|Hydreia|hydrixycarbamide|Hydroxicarbamidum|HYDROXY UREA|Hydroxycarbamid|hydroxycarbamide|Hydroxycarbamidum|Hydroxycarbamine|Hydroxyharnstoff|Hydroxylamine, N-(aminocarbonyl)-|Hydroxylamine, N-carbamoyl-|Hydroxylurea|Hydroxyurea|Hydurea|Idrossicarbamide|Litaler|Litalir|N-Carbamoylhydroxylamine|N-HYDROXYHARNSTOFF|N-Hydroxymocovina|N-Hydroxyurea|NCI C04831|NCI-C04831|NSC 32065|Onco-Carbide|Oxyurea|UNII-X6Q56QN5QC|Urea, hydroxy- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025438 https://doi.org/10.22427/NTP-DATA-DTXSID6025438
ERPathway2016 ERPathway2016_1260 Hydroxyurea 127-07-1 DTXSID6025438 ER Pathway Model, Agonist Model Score 0 Unitless NC(=O)NO Hydroxyurea 127-07-1|Hydroxyurea|4-03-00-00170|Biosupressin|BRN 1741548|Carbamohydroxamic acid|Carbamohydroximic acid|Carbamoyl oxime|Carbamyl hydroxamate|EINECS 204-821-7|hidroxicarbamida|HU|Hydreia|hydrixycarbamide|Hydroxicarbamidum|HYDROXY UREA|Hydroxycarbamid|hydroxycarbamide|Hydroxycarbamidum|Hydroxycarbamine|Hydroxyharnstoff|Hydroxylamine, N-(aminocarbonyl)-|Hydroxylamine, N-carbamoyl-|Hydroxylurea|Hydroxyurea|Hydurea|Idrossicarbamide|Litaler|Litalir|N-Carbamoylhydroxylamine|N-HYDROXYHARNSTOFF|N-Hydroxymocovina|N-Hydroxyurea|NCI C04831|NCI-C04831|NSC 32065|Onco-Carbide|Oxyurea|UNII-X6Q56QN5QC|Urea, hydroxy- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025438 https://doi.org/10.22427/NTP-DATA-DTXSID6025438
ERPathway2016 ERPathway2016_1260 Hydroxyurea 127-07-1 DTXSID6025438 ER Pathway Model, Antagonist Model Score 0 Unitless NC(=O)NO Hydroxyurea 127-07-1|Hydroxyurea|4-03-00-00170|Biosupressin|BRN 1741548|Carbamohydroxamic acid|Carbamohydroximic acid|Carbamoyl oxime|Carbamyl hydroxamate|EINECS 204-821-7|hidroxicarbamida|HU|Hydreia|hydrixycarbamide|Hydroxicarbamidum|HYDROXY UREA|Hydroxycarbamid|hydroxycarbamide|Hydroxycarbamidum|Hydroxycarbamine|Hydroxyharnstoff|Hydroxylamine, N-(aminocarbonyl)-|Hydroxylamine, N-carbamoyl-|Hydroxylurea|Hydroxyurea|Hydurea|Idrossicarbamide|Litaler|Litalir|N-Carbamoylhydroxylamine|N-HYDROXYHARNSTOFF|N-Hydroxymocovina|N-Hydroxyurea|NCI C04831|NCI-C04831|NSC 32065|Onco-Carbide|Oxyurea|UNII-X6Q56QN5QC|Urea, hydroxy- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025438 https://doi.org/10.22427/NTP-DATA-DTXSID6025438
ERPathway2016 ERPathway2016_1260 Hydroxyurea 127-07-1 DTXSID6025438 ER Pathway Model, Agonist Call Inactive Unitless NC(=O)NO Hydroxyurea 127-07-1|Hydroxyurea|4-03-00-00170|Biosupressin|BRN 1741548|Carbamohydroxamic acid|Carbamohydroximic acid|Carbamoyl oxime|Carbamyl hydroxamate|EINECS 204-821-7|hidroxicarbamida|HU|Hydreia|hydrixycarbamide|Hydroxicarbamidum|HYDROXY UREA|Hydroxycarbamid|hydroxycarbamide|Hydroxycarbamidum|Hydroxycarbamine|Hydroxyharnstoff|Hydroxylamine, N-(aminocarbonyl)-|Hydroxylamine, N-carbamoyl-|Hydroxylurea|Hydroxyurea|Hydurea|Idrossicarbamide|Litaler|Litalir|N-Carbamoylhydroxylamine|N-HYDROXYHARNSTOFF|N-Hydroxymocovina|N-Hydroxyurea|NCI C04831|NCI-C04831|NSC 32065|Onco-Carbide|Oxyurea|UNII-X6Q56QN5QC|Urea, hydroxy- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025438 https://doi.org/10.22427/NTP-DATA-DTXSID6025438
ERPathway2016 ERPathway2016_1260 Hydroxyurea 127-07-1 DTXSID6025438 ER Pathway Model, Antagonist Call Inactive Unitless NC(=O)NO Hydroxyurea 127-07-1|Hydroxyurea|4-03-00-00170|Biosupressin|BRN 1741548|Carbamohydroxamic acid|Carbamohydroximic acid|Carbamoyl oxime|Carbamyl hydroxamate|EINECS 204-821-7|hidroxicarbamida|HU|Hydreia|hydrixycarbamide|Hydroxicarbamidum|HYDROXY UREA|Hydroxycarbamid|hydroxycarbamide|Hydroxycarbamidum|Hydroxycarbamine|Hydroxyharnstoff|Hydroxylamine, N-(aminocarbonyl)-|Hydroxylamine, N-carbamoyl-|Hydroxylurea|Hydroxyurea|Hydurea|Idrossicarbamide|Litaler|Litalir|N-Carbamoylhydroxylamine|N-HYDROXYHARNSTOFF|N-Hydroxymocovina|N-Hydroxyurea|NCI C04831|NCI-C04831|NSC 32065|Onco-Carbide|Oxyurea|UNII-X6Q56QN5QC|Urea, hydroxy- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025438 https://doi.org/10.22427/NTP-DATA-DTXSID6025438
ARPathway2016 ARPathway2016_659 Icaridin 119515-38-7 DTXSID0034227 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(C)OC(=O)N1CCCCC1CCO Icaridin 119515-38-7|Icaridin|1-(1-Methylpropoxycarbonyl)-2-(2-hydroxyethyl)piperidine|1-Methylpropyl 2-(2-hydroxyethyl)-1-piperidinecarboxylate|1-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate|1-Piperidinecarboxylic acid, 2-(2-hydroxyethyl)-, 1-methylpropyl ester|Acido 1-Piperidinecarboxilic, 2 - (2-hidroxietil) -, 1-metilpropil ester|Autan|Autan Repel|Bayrepel|Butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate|Cutter Advanced|icaridin|Icaridina|Icaridine|Icaridinum|Isobutyl 2-(2-hydroxyethyl)-1-piperidinecarboxylate|KBR 3023|Natrapel|Picaridin|Pikaridin|Propidine|sec-Butyl 2-(2-hydroxyethyl)piperidine-1-carboxylateIcaridine|UNII-N51GQX0837|658051-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034227
ARPathway2016 ARPathway2016_659 Icaridin 119515-38-7 DTXSID0034227 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)OC(=O)N1CCCCC1CCO Icaridin 119515-38-7|Icaridin|1-(1-Methylpropoxycarbonyl)-2-(2-hydroxyethyl)piperidine|1-Methylpropyl 2-(2-hydroxyethyl)-1-piperidinecarboxylate|1-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate|1-Piperidinecarboxylic acid, 2-(2-hydroxyethyl)-, 1-methylpropyl ester|Acido 1-Piperidinecarboxilic, 2 - (2-hidroxietil) -, 1-metilpropil ester|Autan|Autan Repel|Bayrepel|Butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate|Cutter Advanced|icaridin|Icaridina|Icaridine|Icaridinum|Isobutyl 2-(2-hydroxyethyl)-1-piperidinecarboxylate|KBR 3023|Natrapel|Picaridin|Pikaridin|Propidine|sec-Butyl 2-(2-hydroxyethyl)piperidine-1-carboxylateIcaridine|UNII-N51GQX0837|658051-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034227
ARPathway2016 ARPathway2016_659 Icaridin 119515-38-7 DTXSID0034227 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC(C)OC(=O)N1CCCCC1CCO Icaridin 119515-38-7|Icaridin|1-(1-Methylpropoxycarbonyl)-2-(2-hydroxyethyl)piperidine|1-Methylpropyl 2-(2-hydroxyethyl)-1-piperidinecarboxylate|1-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate|1-Piperidinecarboxylic acid, 2-(2-hydroxyethyl)-, 1-methylpropyl ester|Acido 1-Piperidinecarboxilic, 2 - (2-hidroxietil) -, 1-metilpropil ester|Autan|Autan Repel|Bayrepel|Butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate|Cutter Advanced|icaridin|Icaridina|Icaridine|Icaridinum|Isobutyl 2-(2-hydroxyethyl)-1-piperidinecarboxylate|KBR 3023|Natrapel|Picaridin|Pikaridin|Propidine|sec-Butyl 2-(2-hydroxyethyl)piperidine-1-carboxylateIcaridine|UNII-N51GQX0837|658051-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034227
ARPathway2016 ARPathway2016_659 Icaridin 119515-38-7 DTXSID0034227 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)OC(=O)N1CCCCC1CCO Icaridin 119515-38-7|Icaridin|1-(1-Methylpropoxycarbonyl)-2-(2-hydroxyethyl)piperidine|1-Methylpropyl 2-(2-hydroxyethyl)-1-piperidinecarboxylate|1-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate|1-Piperidinecarboxylic acid, 2-(2-hydroxyethyl)-, 1-methylpropyl ester|Acido 1-Piperidinecarboxilic, 2 - (2-hidroxietil) -, 1-metilpropil ester|Autan|Autan Repel|Bayrepel|Butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate|Cutter Advanced|icaridin|Icaridina|Icaridine|Icaridinum|Isobutyl 2-(2-hydroxyethyl)-1-piperidinecarboxylate|KBR 3023|Natrapel|Picaridin|Pikaridin|Propidine|sec-Butyl 2-(2-hydroxyethyl)piperidine-1-carboxylateIcaridine|UNII-N51GQX0837|658051-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034227
ERPathway2016 ERPathway2016_1204 Icaridin 119515-38-7 DTXSID0034227 ER Pathway Model, Agonist Model Score 0 Unitless CCC(C)OC(=O)N1CCCCC1CCO Icaridin 119515-38-7|Icaridin|1-(1-Methylpropoxycarbonyl)-2-(2-hydroxyethyl)piperidine|1-Methylpropyl 2-(2-hydroxyethyl)-1-piperidinecarboxylate|1-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate|1-Piperidinecarboxylic acid, 2-(2-hydroxyethyl)-, 1-methylpropyl ester|Acido 1-Piperidinecarboxilic, 2 - (2-hidroxietil) -, 1-metilpropil ester|Autan|Autan Repel|Bayrepel|Butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate|Cutter Advanced|icaridin|Icaridina|Icaridine|Icaridinum|Isobutyl 2-(2-hydroxyethyl)-1-piperidinecarboxylate|KBR 3023|Natrapel|Picaridin|Pikaridin|Propidine|sec-Butyl 2-(2-hydroxyethyl)piperidine-1-carboxylateIcaridine|UNII-N51GQX0837|658051-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034227
ERPathway2016 ERPathway2016_1204 Icaridin 119515-38-7 DTXSID0034227 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)OC(=O)N1CCCCC1CCO Icaridin 119515-38-7|Icaridin|1-(1-Methylpropoxycarbonyl)-2-(2-hydroxyethyl)piperidine|1-Methylpropyl 2-(2-hydroxyethyl)-1-piperidinecarboxylate|1-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate|1-Piperidinecarboxylic acid, 2-(2-hydroxyethyl)-, 1-methylpropyl ester|Acido 1-Piperidinecarboxilic, 2 - (2-hidroxietil) -, 1-metilpropil ester|Autan|Autan Repel|Bayrepel|Butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate|Cutter Advanced|icaridin|Icaridina|Icaridine|Icaridinum|Isobutyl 2-(2-hydroxyethyl)-1-piperidinecarboxylate|KBR 3023|Natrapel|Picaridin|Pikaridin|Propidine|sec-Butyl 2-(2-hydroxyethyl)piperidine-1-carboxylateIcaridine|UNII-N51GQX0837|658051-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034227
ERPathway2016 ERPathway2016_1204 Icaridin 119515-38-7 DTXSID0034227 ER Pathway Model, Agonist Call Inactive Unitless CCC(C)OC(=O)N1CCCCC1CCO Icaridin 119515-38-7|Icaridin|1-(1-Methylpropoxycarbonyl)-2-(2-hydroxyethyl)piperidine|1-Methylpropyl 2-(2-hydroxyethyl)-1-piperidinecarboxylate|1-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate|1-Piperidinecarboxylic acid, 2-(2-hydroxyethyl)-, 1-methylpropyl ester|Acido 1-Piperidinecarboxilic, 2 - (2-hidroxietil) -, 1-metilpropil ester|Autan|Autan Repel|Bayrepel|Butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate|Cutter Advanced|icaridin|Icaridina|Icaridine|Icaridinum|Isobutyl 2-(2-hydroxyethyl)-1-piperidinecarboxylate|KBR 3023|Natrapel|Picaridin|Pikaridin|Propidine|sec-Butyl 2-(2-hydroxyethyl)piperidine-1-carboxylateIcaridine|UNII-N51GQX0837|658051-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034227
ERPathway2016 ERPathway2016_1204 Icaridin 119515-38-7 DTXSID0034227 ER Pathway Model, Antagonist Call Inactive Unitless CCC(C)OC(=O)N1CCCCC1CCO Icaridin 119515-38-7|Icaridin|1-(1-Methylpropoxycarbonyl)-2-(2-hydroxyethyl)piperidine|1-Methylpropyl 2-(2-hydroxyethyl)-1-piperidinecarboxylate|1-methylpropyl 2-(2-hydroxyethyl)piperidine-1-carboxylate|1-Piperidinecarboxylic acid, 2-(2-hydroxyethyl)-, 1-methylpropyl ester|Acido 1-Piperidinecarboxilic, 2 - (2-hidroxietil) -, 1-metilpropil ester|Autan|Autan Repel|Bayrepel|Butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate|Cutter Advanced|icaridin|Icaridina|Icaridine|Icaridinum|Isobutyl 2-(2-hydroxyethyl)-1-piperidinecarboxylate|KBR 3023|Natrapel|Picaridin|Pikaridin|Propidine|sec-Butyl 2-(2-hydroxyethyl)piperidine-1-carboxylateIcaridine|UNII-N51GQX0837|658051-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034227
ARPathway2016 ARPathway2016_1848 Igepal CO-890 NOCAS_47708 DTXSID9047708 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless Igepal CO-890 NOCAS_47708|Igepal CO-890|Poly(oxy-1,2-ethanediyl),alpha-(4-nonylphenyl)-omega-hydroxy-, branched https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047708
ARPathway2016 ARPathway2016_1848 Igepal CO-890 NOCAS_47708 DTXSID9047708 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless Igepal CO-890 NOCAS_47708|Igepal CO-890|Poly(oxy-1,2-ethanediyl),alpha-(4-nonylphenyl)-omega-hydroxy-, branched https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047708
ARPathway2016 ARPathway2016_1848 Igepal CO-890 NOCAS_47708 DTXSID9047708 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless Igepal CO-890 NOCAS_47708|Igepal CO-890|Poly(oxy-1,2-ethanediyl),alpha-(4-nonylphenyl)-omega-hydroxy-, branched https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047708
ARPathway2016 ARPathway2016_1848 Igepal CO-890 NOCAS_47708 DTXSID9047708 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless Igepal CO-890 NOCAS_47708|Igepal CO-890|Poly(oxy-1,2-ethanediyl),alpha-(4-nonylphenyl)-omega-hydroxy-, branched https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047708
ERPathway2016 ERPathway2016_706 Igepal CO-890 NOCAS_47708 DTXSID9047708 ER Pathway Model, Agonist Model Score 0 Unitless Igepal CO-890 NOCAS_47708|Igepal CO-890|Poly(oxy-1,2-ethanediyl),alpha-(4-nonylphenyl)-omega-hydroxy-, branched https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047708
ERPathway2016 ERPathway2016_706 Igepal CO-890 NOCAS_47708 DTXSID9047708 ER Pathway Model, Antagonist Model Score 0 Unitless Igepal CO-890 NOCAS_47708|Igepal CO-890|Poly(oxy-1,2-ethanediyl),alpha-(4-nonylphenyl)-omega-hydroxy-, branched https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047708
ERPathway2016 ERPathway2016_706 Igepal CO-890 NOCAS_47708 DTXSID9047708 ER Pathway Model, Agonist Call Inactive Unitless Igepal CO-890 NOCAS_47708|Igepal CO-890|Poly(oxy-1,2-ethanediyl),alpha-(4-nonylphenyl)-omega-hydroxy-, branched https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047708
ERPathway2016 ERPathway2016_706 Igepal CO-890 NOCAS_47708 DTXSID9047708 ER Pathway Model, Antagonist Call Inactive Unitless Igepal CO-890 NOCAS_47708|Igepal CO-890|Poly(oxy-1,2-ethanediyl),alpha-(4-nonylphenyl)-omega-hydroxy-, branched https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047708
ARPathway2016 ARPathway2016_1226 Ilepatril 473289-62-2 DTXSID7047356 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)[C@H](SC(C)=O)C(=O)N[C@H]1CC2=C(C=CC=C2)[C@H]2CCC[C@H](N2C1=O)C(O)=O Ilepatril 473289-62-2|Ilepatril|A000362928|AVE7688|UNII-5N1YAP5FCM https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047356
ARPathway2016 ARPathway2016_1226 Ilepatril 473289-62-2 DTXSID7047356 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)[C@H](SC(C)=O)C(=O)N[C@H]1CC2=C(C=CC=C2)[C@H]2CCC[C@H](N2C1=O)C(O)=O Ilepatril 473289-62-2|Ilepatril|A000362928|AVE7688|UNII-5N1YAP5FCM https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047356
ARPathway2016 ARPathway2016_1226 Ilepatril 473289-62-2 DTXSID7047356 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)[C@H](SC(C)=O)C(=O)N[C@H]1CC2=C(C=CC=C2)[C@H]2CCC[C@H](N2C1=O)C(O)=O Ilepatril 473289-62-2|Ilepatril|A000362928|AVE7688|UNII-5N1YAP5FCM https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047356
ARPathway2016 ARPathway2016_1226 Ilepatril 473289-62-2 DTXSID7047356 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)[C@H](SC(C)=O)C(=O)N[C@H]1CC2=C(C=CC=C2)[C@H]2CCC[C@H](N2C1=O)C(O)=O Ilepatril 473289-62-2|Ilepatril|A000362928|AVE7688|UNII-5N1YAP5FCM https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047356
ERPathway2016 ERPathway2016_1491 Ilepatril 473289-62-2 DTXSID7047356 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)[C@H](SC(C)=O)C(=O)N[C@H]1CC2=C(C=CC=C2)[C@H]2CCC[C@H](N2C1=O)C(O)=O Ilepatril 473289-62-2|Ilepatril|A000362928|AVE7688|UNII-5N1YAP5FCM https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047356
ERPathway2016 ERPathway2016_1491 Ilepatril 473289-62-2 DTXSID7047356 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)[C@H](SC(C)=O)C(=O)N[C@H]1CC2=C(C=CC=C2)[C@H]2CCC[C@H](N2C1=O)C(O)=O Ilepatril 473289-62-2|Ilepatril|A000362928|AVE7688|UNII-5N1YAP5FCM https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047356
ERPathway2016 ERPathway2016_1491 Ilepatril 473289-62-2 DTXSID7047356 ER Pathway Model, Agonist Call Inactive Unitless CC(C)[C@H](SC(C)=O)C(=O)N[C@H]1CC2=C(C=CC=C2)[C@H]2CCC[C@H](N2C1=O)C(O)=O Ilepatril 473289-62-2|Ilepatril|A000362928|AVE7688|UNII-5N1YAP5FCM https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047356
ERPathway2016 ERPathway2016_1491 Ilepatril 473289-62-2 DTXSID7047356 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)[C@H](SC(C)=O)C(=O)N[C@H]1CC2=C(C=CC=C2)[C@H]2CCC[C@H](N2C1=O)C(O)=O Ilepatril 473289-62-2|Ilepatril|A000362928|AVE7688|UNII-5N1YAP5FCM https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047356
ARPathway2016 ARPathway2016_161 Imazalil 35554-44-0 DTXSID8024151 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 24.6146994007797 uM ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC=C Imazalil 35554-44-0|Imazalil|(+/-)-1-(beta-(Allyloxy)-2,4-dichlorophenethyl)-imidazole|(+/-)-1-(beta-allyloxy-2,4-dichlorophenylethyl)imidazole|(+/-)-Imazalil|(RS)-1-(b-allyloxy-2,4-dichlorophenethyl)imidazole|+/-)-1-(2-(2,4-dichlorophenylethyl)-2-(2-propenyloxy)ethyl)-1H-imidazole|1-(2-(2,4-Dichlorphenyl)-2-(2-propenyloxy)aethyl)-1H-imidazol|1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole|1-[2-(aliloxi)-2-(2,4-diclorofenil)etil]-1H-imidazol|1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole|1-[2-(Allyloxy)-2-(2,4-dichlorphenyl)ethyl]-1H-imidazol|1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl)-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propen-1-yloxy)ethyl]-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-|252-615-0|Allyl-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl ether|Amolden MP 100|BRN 0545683|Bromazil|Caswell No. 497AB|Chloramizol|Clinafarm|Deccosil|Deccozil|Deccozil S 75|EC No.: 252-615-0|EINECS 252-615-0|Enilconazole|Eniloconazol|EPA Pesticide Chemical Code 111901|FloPro IM|1135441-05-2|51004-46-7|73790-28-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024151
ARPathway2016 ARPathway2016_161 Imazalil 35554-44-0 DTXSID8024151 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 23.5802292035877 uM ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC=C Imazalil 35554-44-0|Imazalil|(+/-)-1-(beta-(Allyloxy)-2,4-dichlorophenethyl)-imidazole|(+/-)-1-(beta-allyloxy-2,4-dichlorophenylethyl)imidazole|(+/-)-Imazalil|(RS)-1-(b-allyloxy-2,4-dichlorophenethyl)imidazole|+/-)-1-(2-(2,4-dichlorophenylethyl)-2-(2-propenyloxy)ethyl)-1H-imidazole|1-(2-(2,4-Dichlorphenyl)-2-(2-propenyloxy)aethyl)-1H-imidazol|1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole|1-[2-(aliloxi)-2-(2,4-diclorofenil)etil]-1H-imidazol|1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole|1-[2-(Allyloxy)-2-(2,4-dichlorphenyl)ethyl]-1H-imidazol|1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl)-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propen-1-yloxy)ethyl]-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-|252-615-0|Allyl-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl ether|Amolden MP 100|BRN 0545683|Bromazil|Caswell No. 497AB|Chloramizol|Clinafarm|Deccosil|Deccozil|Deccozil S 75|EC No.: 252-615-0|EINECS 252-615-0|Enilconazole|Eniloconazol|EPA Pesticide Chemical Code 111901|FloPro IM|1135441-05-2|51004-46-7|73790-28-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024151
ARPathway2016 ARPathway2016_161 Imazalil 35554-44-0 DTXSID8024151 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.303 Unitless ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC=C Imazalil 35554-44-0|Imazalil|(+/-)-1-(beta-(Allyloxy)-2,4-dichlorophenethyl)-imidazole|(+/-)-1-(beta-allyloxy-2,4-dichlorophenylethyl)imidazole|(+/-)-Imazalil|(RS)-1-(b-allyloxy-2,4-dichlorophenethyl)imidazole|+/-)-1-(2-(2,4-dichlorophenylethyl)-2-(2-propenyloxy)ethyl)-1H-imidazole|1-(2-(2,4-Dichlorphenyl)-2-(2-propenyloxy)aethyl)-1H-imidazol|1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole|1-[2-(aliloxi)-2-(2,4-diclorofenil)etil]-1H-imidazol|1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole|1-[2-(Allyloxy)-2-(2,4-dichlorphenyl)ethyl]-1H-imidazol|1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl)-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propen-1-yloxy)ethyl]-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-|252-615-0|Allyl-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl ether|Amolden MP 100|BRN 0545683|Bromazil|Caswell No. 497AB|Chloramizol|Clinafarm|Deccosil|Deccozil|Deccozil S 75|EC No.: 252-615-0|EINECS 252-615-0|Enilconazole|Eniloconazol|EPA Pesticide Chemical Code 111901|FloPro IM|1135441-05-2|51004-46-7|73790-28-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024151
ARPathway2016 ARPathway2016_161 Imazalil 35554-44-0 DTXSID8024151 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC=C Imazalil 35554-44-0|Imazalil|(+/-)-1-(beta-(Allyloxy)-2,4-dichlorophenethyl)-imidazole|(+/-)-1-(beta-allyloxy-2,4-dichlorophenylethyl)imidazole|(+/-)-Imazalil|(RS)-1-(b-allyloxy-2,4-dichlorophenethyl)imidazole|+/-)-1-(2-(2,4-dichlorophenylethyl)-2-(2-propenyloxy)ethyl)-1H-imidazole|1-(2-(2,4-Dichlorphenyl)-2-(2-propenyloxy)aethyl)-1H-imidazol|1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole|1-[2-(aliloxi)-2-(2,4-diclorofenil)etil]-1H-imidazol|1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole|1-[2-(Allyloxy)-2-(2,4-dichlorphenyl)ethyl]-1H-imidazol|1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl)-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propen-1-yloxy)ethyl]-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-|252-615-0|Allyl-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl ether|Amolden MP 100|BRN 0545683|Bromazil|Caswell No. 497AB|Chloramizol|Clinafarm|Deccosil|Deccozil|Deccozil S 75|EC No.: 252-615-0|EINECS 252-615-0|Enilconazole|Eniloconazol|EPA Pesticide Chemical Code 111901|FloPro IM|1135441-05-2|51004-46-7|73790-28-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024151
ARPathway2016 ARPathway2016_161 Imazalil 35554-44-0 DTXSID8024151 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC=C Imazalil 35554-44-0|Imazalil|(+/-)-1-(beta-(Allyloxy)-2,4-dichlorophenethyl)-imidazole|(+/-)-1-(beta-allyloxy-2,4-dichlorophenylethyl)imidazole|(+/-)-Imazalil|(RS)-1-(b-allyloxy-2,4-dichlorophenethyl)imidazole|+/-)-1-(2-(2,4-dichlorophenylethyl)-2-(2-propenyloxy)ethyl)-1H-imidazole|1-(2-(2,4-Dichlorphenyl)-2-(2-propenyloxy)aethyl)-1H-imidazol|1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole|1-[2-(aliloxi)-2-(2,4-diclorofenil)etil]-1H-imidazol|1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole|1-[2-(Allyloxy)-2-(2,4-dichlorphenyl)ethyl]-1H-imidazol|1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl)-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propen-1-yloxy)ethyl]-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-|252-615-0|Allyl-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl ether|Amolden MP 100|BRN 0545683|Bromazil|Caswell No. 497AB|Chloramizol|Clinafarm|Deccosil|Deccozil|Deccozil S 75|EC No.: 252-615-0|EINECS 252-615-0|Enilconazole|Eniloconazol|EPA Pesticide Chemical Code 111901|FloPro IM|1135441-05-2|51004-46-7|73790-28-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024151
ARPathway2016 ARPathway2016_161 Imazalil 35554-44-0 DTXSID8024151 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC=C Imazalil 35554-44-0|Imazalil|(+/-)-1-(beta-(Allyloxy)-2,4-dichlorophenethyl)-imidazole|(+/-)-1-(beta-allyloxy-2,4-dichlorophenylethyl)imidazole|(+/-)-Imazalil|(RS)-1-(b-allyloxy-2,4-dichlorophenethyl)imidazole|+/-)-1-(2-(2,4-dichlorophenylethyl)-2-(2-propenyloxy)ethyl)-1H-imidazole|1-(2-(2,4-Dichlorphenyl)-2-(2-propenyloxy)aethyl)-1H-imidazol|1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole|1-[2-(aliloxi)-2-(2,4-diclorofenil)etil]-1H-imidazol|1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole|1-[2-(Allyloxy)-2-(2,4-dichlorphenyl)ethyl]-1H-imidazol|1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl)-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propen-1-yloxy)ethyl]-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-|252-615-0|Allyl-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl ether|Amolden MP 100|BRN 0545683|Bromazil|Caswell No. 497AB|Chloramizol|Clinafarm|Deccosil|Deccozil|Deccozil S 75|EC No.: 252-615-0|EINECS 252-615-0|Enilconazole|Eniloconazol|EPA Pesticide Chemical Code 111901|FloPro IM|1135441-05-2|51004-46-7|73790-28-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024151
ERPathway2016 ERPathway2016_544 Imazalil 35554-44-0 DTXSID8024151 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC=C Imazalil 35554-44-0|Imazalil|(+/-)-1-(beta-(Allyloxy)-2,4-dichlorophenethyl)-imidazole|(+/-)-1-(beta-allyloxy-2,4-dichlorophenylethyl)imidazole|(+/-)-Imazalil|(RS)-1-(b-allyloxy-2,4-dichlorophenethyl)imidazole|+/-)-1-(2-(2,4-dichlorophenylethyl)-2-(2-propenyloxy)ethyl)-1H-imidazole|1-(2-(2,4-Dichlorphenyl)-2-(2-propenyloxy)aethyl)-1H-imidazol|1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole|1-[2-(aliloxi)-2-(2,4-diclorofenil)etil]-1H-imidazol|1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole|1-[2-(Allyloxy)-2-(2,4-dichlorphenyl)ethyl]-1H-imidazol|1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl)-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propen-1-yloxy)ethyl]-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-|252-615-0|Allyl-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl ether|Amolden MP 100|BRN 0545683|Bromazil|Caswell No. 497AB|Chloramizol|Clinafarm|Deccosil|Deccozil|Deccozil S 75|EC No.: 252-615-0|EINECS 252-615-0|Enilconazole|Eniloconazol|EPA Pesticide Chemical Code 111901|FloPro IM|1135441-05-2|51004-46-7|73790-28-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024151
ERPathway2016 ERPathway2016_544 Imazalil 35554-44-0 DTXSID8024151 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC=C Imazalil 35554-44-0|Imazalil|(+/-)-1-(beta-(Allyloxy)-2,4-dichlorophenethyl)-imidazole|(+/-)-1-(beta-allyloxy-2,4-dichlorophenylethyl)imidazole|(+/-)-Imazalil|(RS)-1-(b-allyloxy-2,4-dichlorophenethyl)imidazole|+/-)-1-(2-(2,4-dichlorophenylethyl)-2-(2-propenyloxy)ethyl)-1H-imidazole|1-(2-(2,4-Dichlorphenyl)-2-(2-propenyloxy)aethyl)-1H-imidazol|1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole|1-[2-(aliloxi)-2-(2,4-diclorofenil)etil]-1H-imidazol|1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole|1-[2-(Allyloxy)-2-(2,4-dichlorphenyl)ethyl]-1H-imidazol|1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl)-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propen-1-yloxy)ethyl]-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-|252-615-0|Allyl-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl ether|Amolden MP 100|BRN 0545683|Bromazil|Caswell No. 497AB|Chloramizol|Clinafarm|Deccosil|Deccozil|Deccozil S 75|EC No.: 252-615-0|EINECS 252-615-0|Enilconazole|Eniloconazol|EPA Pesticide Chemical Code 111901|FloPro IM|1135441-05-2|51004-46-7|73790-28-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024151
ERPathway2016 ERPathway2016_544 Imazalil 35554-44-0 DTXSID8024151 ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC=C Imazalil 35554-44-0|Imazalil|(+/-)-1-(beta-(Allyloxy)-2,4-dichlorophenethyl)-imidazole|(+/-)-1-(beta-allyloxy-2,4-dichlorophenylethyl)imidazole|(+/-)-Imazalil|(RS)-1-(b-allyloxy-2,4-dichlorophenethyl)imidazole|+/-)-1-(2-(2,4-dichlorophenylethyl)-2-(2-propenyloxy)ethyl)-1H-imidazole|1-(2-(2,4-Dichlorphenyl)-2-(2-propenyloxy)aethyl)-1H-imidazol|1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole|1-[2-(aliloxi)-2-(2,4-diclorofenil)etil]-1H-imidazol|1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole|1-[2-(Allyloxy)-2-(2,4-dichlorphenyl)ethyl]-1H-imidazol|1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl)-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propen-1-yloxy)ethyl]-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-|252-615-0|Allyl-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl ether|Amolden MP 100|BRN 0545683|Bromazil|Caswell No. 497AB|Chloramizol|Clinafarm|Deccosil|Deccozil|Deccozil S 75|EC No.: 252-615-0|EINECS 252-615-0|Enilconazole|Eniloconazol|EPA Pesticide Chemical Code 111901|FloPro IM|1135441-05-2|51004-46-7|73790-28-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024151
ERPathway2016 ERPathway2016_544 Imazalil 35554-44-0 DTXSID8024151 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC=C Imazalil 35554-44-0|Imazalil|(+/-)-1-(beta-(Allyloxy)-2,4-dichlorophenethyl)-imidazole|(+/-)-1-(beta-allyloxy-2,4-dichlorophenylethyl)imidazole|(+/-)-Imazalil|(RS)-1-(b-allyloxy-2,4-dichlorophenethyl)imidazole|+/-)-1-(2-(2,4-dichlorophenylethyl)-2-(2-propenyloxy)ethyl)-1H-imidazole|1-(2-(2,4-Dichlorphenyl)-2-(2-propenyloxy)aethyl)-1H-imidazol|1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole|1-[2-(aliloxi)-2-(2,4-diclorofenil)etil]-1H-imidazol|1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole|1-[2-(Allyloxy)-2-(2,4-dichlorphenyl)ethyl]-1H-imidazol|1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl)-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propen-1-yloxy)ethyl]-|1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-|252-615-0|Allyl-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl ether|Amolden MP 100|BRN 0545683|Bromazil|Caswell No. 497AB|Chloramizol|Clinafarm|Deccosil|Deccozil|Deccozil S 75|EC No.: 252-615-0|EINECS 252-615-0|Enilconazole|Eniloconazol|EPA Pesticide Chemical Code 111901|FloPro IM|1135441-05-2|51004-46-7|73790-28-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024151
ARPathway2016 ARPathway2016_1614 Imazamethabenz-methyl 81405-85-8 DTXSID3032412 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C*.COC(=O)C1=C(C=CC=C1)C1=NC(=O)C(C)(N1)C(C)C |c:7,9,t:5,12,lp:3:2,5:2,13:1,15:2,18:1,m:1:9.10| Imazamethabenz-methyl 81405-85-8|Imazamethabenz-methyl|617-231-3|AC 222293|Assert|Assert 300|Benzoic acid, 2- [4, 5- dihydro- 4- methyl- 4- (1- methylethyl) - 5- oxo- 1H- imidazol- 2- yl] - 4(or 5) - methyl- , methyl ester|Benzoic acid,2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-4(or 5)-methyl-, methyl ester|CL 222,293|Dagger|Dagger G|EC No.: 617-231-3|EPA Pesticide Chemical Code 128842|Imazamethabenz methyl|Imazamethabenz methyl ester|104737-83-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032412
ARPathway2016 ARPathway2016_1614 Imazamethabenz-methyl 81405-85-8 DTXSID3032412 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C*.COC(=O)C1=C(C=CC=C1)C1=NC(=O)C(C)(N1)C(C)C |c:7,9,t:5,12,lp:3:2,5:2,13:1,15:2,18:1,m:1:9.10| Imazamethabenz-methyl 81405-85-8|Imazamethabenz-methyl|617-231-3|AC 222293|Assert|Assert 300|Benzoic acid, 2- [4, 5- dihydro- 4- methyl- 4- (1- methylethyl) - 5- oxo- 1H- imidazol- 2- yl] - 4(or 5) - methyl- , methyl ester|Benzoic acid,2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-4(or 5)-methyl-, methyl ester|CL 222,293|Dagger|Dagger G|EC No.: 617-231-3|EPA Pesticide Chemical Code 128842|Imazamethabenz methyl|Imazamethabenz methyl ester|104737-83-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032412
ARPathway2016 ARPathway2016_1614 Imazamethabenz-methyl 81405-85-8 DTXSID3032412 0.0 AR Pathway Model, Agonist Call Inactive Unitless C*.COC(=O)C1=C(C=CC=C1)C1=NC(=O)C(C)(N1)C(C)C |c:7,9,t:5,12,lp:3:2,5:2,13:1,15:2,18:1,m:1:9.10| Imazamethabenz-methyl 81405-85-8|Imazamethabenz-methyl|617-231-3|AC 222293|Assert|Assert 300|Benzoic acid, 2- [4, 5- dihydro- 4- methyl- 4- (1- methylethyl) - 5- oxo- 1H- imidazol- 2- yl] - 4(or 5) - methyl- , methyl ester|Benzoic acid,2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-4(or 5)-methyl-, methyl ester|CL 222,293|Dagger|Dagger G|EC No.: 617-231-3|EPA Pesticide Chemical Code 128842|Imazamethabenz methyl|Imazamethabenz methyl ester|104737-83-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032412
ARPathway2016 ARPathway2016_1614 Imazamethabenz-methyl 81405-85-8 DTXSID3032412 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C*.COC(=O)C1=C(C=CC=C1)C1=NC(=O)C(C)(N1)C(C)C |c:7,9,t:5,12,lp:3:2,5:2,13:1,15:2,18:1,m:1:9.10| Imazamethabenz-methyl 81405-85-8|Imazamethabenz-methyl|617-231-3|AC 222293|Assert|Assert 300|Benzoic acid, 2- [4, 5- dihydro- 4- methyl- 4- (1- methylethyl) - 5- oxo- 1H- imidazol- 2- yl] - 4(or 5) - methyl- , methyl ester|Benzoic acid,2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-4(or 5)-methyl-, methyl ester|CL 222,293|Dagger|Dagger G|EC No.: 617-231-3|EPA Pesticide Chemical Code 128842|Imazamethabenz methyl|Imazamethabenz methyl ester|104737-83-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032412
ERPathway2016 ERPathway2016_1688 Imazamethabenz-methyl 81405-85-8 DTXSID3032412 ER Pathway Model, Agonist Model Score 0 Unitless C*.COC(=O)C1=C(C=CC=C1)C1=NC(=O)C(C)(N1)C(C)C |c:7,9,t:5,12,lp:3:2,5:2,13:1,15:2,18:1,m:1:9.10| Imazamethabenz-methyl 81405-85-8|Imazamethabenz-methyl|617-231-3|AC 222293|Assert|Assert 300|Benzoic acid, 2- [4, 5- dihydro- 4- methyl- 4- (1- methylethyl) - 5- oxo- 1H- imidazol- 2- yl] - 4(or 5) - methyl- , methyl ester|Benzoic acid,2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-4(or 5)-methyl-, methyl ester|CL 222,293|Dagger|Dagger G|EC No.: 617-231-3|EPA Pesticide Chemical Code 128842|Imazamethabenz methyl|Imazamethabenz methyl ester|104737-83-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032412
ERPathway2016 ERPathway2016_1688 Imazamethabenz-methyl 81405-85-8 DTXSID3032412 ER Pathway Model, Antagonist Model Score 0 Unitless C*.COC(=O)C1=C(C=CC=C1)C1=NC(=O)C(C)(N1)C(C)C |c:7,9,t:5,12,lp:3:2,5:2,13:1,15:2,18:1,m:1:9.10| Imazamethabenz-methyl 81405-85-8|Imazamethabenz-methyl|617-231-3|AC 222293|Assert|Assert 300|Benzoic acid, 2- [4, 5- dihydro- 4- methyl- 4- (1- methylethyl) - 5- oxo- 1H- imidazol- 2- yl] - 4(or 5) - methyl- , methyl ester|Benzoic acid,2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-4(or 5)-methyl-, methyl ester|CL 222,293|Dagger|Dagger G|EC No.: 617-231-3|EPA Pesticide Chemical Code 128842|Imazamethabenz methyl|Imazamethabenz methyl ester|104737-83-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032412
ERPathway2016 ERPathway2016_1688 Imazamethabenz-methyl 81405-85-8 DTXSID3032412 ER Pathway Model, Agonist Call Inactive Unitless C*.COC(=O)C1=C(C=CC=C1)C1=NC(=O)C(C)(N1)C(C)C |c:7,9,t:5,12,lp:3:2,5:2,13:1,15:2,18:1,m:1:9.10| Imazamethabenz-methyl 81405-85-8|Imazamethabenz-methyl|617-231-3|AC 222293|Assert|Assert 300|Benzoic acid, 2- [4, 5- dihydro- 4- methyl- 4- (1- methylethyl) - 5- oxo- 1H- imidazol- 2- yl] - 4(or 5) - methyl- , methyl ester|Benzoic acid,2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-4(or 5)-methyl-, methyl ester|CL 222,293|Dagger|Dagger G|EC No.: 617-231-3|EPA Pesticide Chemical Code 128842|Imazamethabenz methyl|Imazamethabenz methyl ester|104737-83-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032412
ERPathway2016 ERPathway2016_1688 Imazamethabenz-methyl 81405-85-8 DTXSID3032412 ER Pathway Model, Antagonist Call Inactive Unitless C*.COC(=O)C1=C(C=CC=C1)C1=NC(=O)C(C)(N1)C(C)C |c:7,9,t:5,12,lp:3:2,5:2,13:1,15:2,18:1,m:1:9.10| Imazamethabenz-methyl 81405-85-8|Imazamethabenz-methyl|617-231-3|AC 222293|Assert|Assert 300|Benzoic acid, 2- [4, 5- dihydro- 4- methyl- 4- (1- methylethyl) - 5- oxo- 1H- imidazol- 2- yl] - 4(or 5) - methyl- , methyl ester|Benzoic acid,2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-4(or 5)-methyl-, methyl ester|CL 222,293|Dagger|Dagger G|EC No.: 617-231-3|EPA Pesticide Chemical Code 128842|Imazamethabenz methyl|Imazamethabenz methyl ester|104737-83-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032412
ARPathway2016 ARPathway2016_624 Imazamox 114311-32-9 DTXSID3034664 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O Imazamox 114311-32-9|Imazamox|(+/-)-Imazamox|(RS)-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5- methoxymethylnicotinic acid|2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-|5-Methoxymethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|AC 299263|BAS 720 H|CL 299,263|CL 299263|EINECS Annex I Index 613-208-00-7|Nicotinic acid, 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-(methoxymethyl)-|UNII-UG6793ON5F|182636-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034664
ARPathway2016 ARPathway2016_624 Imazamox 114311-32-9 DTXSID3034664 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O Imazamox 114311-32-9|Imazamox|(+/-)-Imazamox|(RS)-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5- methoxymethylnicotinic acid|2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-|5-Methoxymethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|AC 299263|BAS 720 H|CL 299,263|CL 299263|EINECS Annex I Index 613-208-00-7|Nicotinic acid, 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-(methoxymethyl)-|UNII-UG6793ON5F|182636-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034664
ARPathway2016 ARPathway2016_624 Imazamox 114311-32-9 DTXSID3034664 0.0 AR Pathway Model, Agonist Call Inactive Unitless COCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O Imazamox 114311-32-9|Imazamox|(+/-)-Imazamox|(RS)-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5- methoxymethylnicotinic acid|2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-|5-Methoxymethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|AC 299263|BAS 720 H|CL 299,263|CL 299263|EINECS Annex I Index 613-208-00-7|Nicotinic acid, 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-(methoxymethyl)-|UNII-UG6793ON5F|182636-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034664
ARPathway2016 ARPathway2016_624 Imazamox 114311-32-9 DTXSID3034664 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O Imazamox 114311-32-9|Imazamox|(+/-)-Imazamox|(RS)-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5- methoxymethylnicotinic acid|2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-|5-Methoxymethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|AC 299263|BAS 720 H|CL 299,263|CL 299263|EINECS Annex I Index 613-208-00-7|Nicotinic acid, 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-(methoxymethyl)-|UNII-UG6793ON5F|182636-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034664
ERPathway2016 ERPathway2016_1186 Imazamox 114311-32-9 DTXSID3034664 ER Pathway Model, Agonist Model Score 0 Unitless COCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O Imazamox 114311-32-9|Imazamox|(+/-)-Imazamox|(RS)-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5- methoxymethylnicotinic acid|2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-|5-Methoxymethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|AC 299263|BAS 720 H|CL 299,263|CL 299263|EINECS Annex I Index 613-208-00-7|Nicotinic acid, 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-(methoxymethyl)-|UNII-UG6793ON5F|182636-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034664
ERPathway2016 ERPathway2016_1186 Imazamox 114311-32-9 DTXSID3034664 ER Pathway Model, Antagonist Model Score 0 Unitless COCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O Imazamox 114311-32-9|Imazamox|(+/-)-Imazamox|(RS)-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5- methoxymethylnicotinic acid|2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-|5-Methoxymethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|AC 299263|BAS 720 H|CL 299,263|CL 299263|EINECS Annex I Index 613-208-00-7|Nicotinic acid, 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-(methoxymethyl)-|UNII-UG6793ON5F|182636-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034664
ERPathway2016 ERPathway2016_1186 Imazamox 114311-32-9 DTXSID3034664 ER Pathway Model, Agonist Call Inactive Unitless COCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O Imazamox 114311-32-9|Imazamox|(+/-)-Imazamox|(RS)-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5- methoxymethylnicotinic acid|2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-|5-Methoxymethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|AC 299263|BAS 720 H|CL 299,263|CL 299263|EINECS Annex I Index 613-208-00-7|Nicotinic acid, 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-(methoxymethyl)-|UNII-UG6793ON5F|182636-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034664
ERPathway2016 ERPathway2016_1186 Imazamox 114311-32-9 DTXSID3034664 ER Pathway Model, Antagonist Call Inactive Unitless COCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O Imazamox 114311-32-9|Imazamox|(+/-)-Imazamox|(RS)-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5- methoxymethylnicotinic acid|2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-(methoxymethyl)-|5-Methoxymethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|AC 299263|BAS 720 H|CL 299,263|CL 299263|EINECS Annex I Index 613-208-00-7|Nicotinic acid, 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-(methoxymethyl)-|UNII-UG6793ON5F|182636-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034664
ARPathway2016 ARPathway2016_443 Imazapic 104098-48-8 DTXSID5034270 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1(C)NC(=NC1=O)C1=NC=C(C)C=C1C(O)=O Imazapic 104098-48-8|Imazapic|(+/-)-Imazapic|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-methylnicotinic acid|2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-|3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-methyl-|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-, (+/-)-|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-5-methyl-5-(1-methylethyl)-4-oxo-1H-imidazol-2-yl]-5-methyl-|5-Methyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|5-Methyl-2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid|AC 263222|Cadre|Flame (herbicide)|Imazameth|Imazamethapyr|Imazmethapyr|Oroban|138672-98-7|189506-95-4|81334-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034270
ARPathway2016 ARPathway2016_443 Imazapic 104098-48-8 DTXSID5034270 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1(C)NC(=NC1=O)C1=NC=C(C)C=C1C(O)=O Imazapic 104098-48-8|Imazapic|(+/-)-Imazapic|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-methylnicotinic acid|2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-|3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-methyl-|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-, (+/-)-|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-5-methyl-5-(1-methylethyl)-4-oxo-1H-imidazol-2-yl]-5-methyl-|5-Methyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|5-Methyl-2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid|AC 263222|Cadre|Flame (herbicide)|Imazameth|Imazamethapyr|Imazmethapyr|Oroban|138672-98-7|189506-95-4|81334-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034270
ARPathway2016 ARPathway2016_443 Imazapic 104098-48-8 DTXSID5034270 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1(C)NC(=NC1=O)C1=NC=C(C)C=C1C(O)=O Imazapic 104098-48-8|Imazapic|(+/-)-Imazapic|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-methylnicotinic acid|2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-|3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-methyl-|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-, (+/-)-|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-5-methyl-5-(1-methylethyl)-4-oxo-1H-imidazol-2-yl]-5-methyl-|5-Methyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|5-Methyl-2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid|AC 263222|Cadre|Flame (herbicide)|Imazameth|Imazamethapyr|Imazmethapyr|Oroban|138672-98-7|189506-95-4|81334-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034270
ARPathway2016 ARPathway2016_443 Imazapic 104098-48-8 DTXSID5034270 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C1(C)NC(=NC1=O)C1=NC=C(C)C=C1C(O)=O Imazapic 104098-48-8|Imazapic|(+/-)-Imazapic|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-methylnicotinic acid|2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-|3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-methyl-|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-, (+/-)-|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-5-methyl-5-(1-methylethyl)-4-oxo-1H-imidazol-2-yl]-5-methyl-|5-Methyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|5-Methyl-2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid|AC 263222|Cadre|Flame (herbicide)|Imazameth|Imazamethapyr|Imazmethapyr|Oroban|138672-98-7|189506-95-4|81334-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034270
ERPathway2016 ERPathway2016_1074 Imazapic 104098-48-8 DTXSID5034270 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)C1(C)NC(=NC1=O)C1=NC=C(C)C=C1C(O)=O Imazapic 104098-48-8|Imazapic|(+/-)-Imazapic|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-methylnicotinic acid|2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-|3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-methyl-|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-, (+/-)-|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-5-methyl-5-(1-methylethyl)-4-oxo-1H-imidazol-2-yl]-5-methyl-|5-Methyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|5-Methyl-2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid|AC 263222|Cadre|Flame (herbicide)|Imazameth|Imazamethapyr|Imazmethapyr|Oroban|138672-98-7|189506-95-4|81334-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034270
ERPathway2016 ERPathway2016_1074 Imazapic 104098-48-8 DTXSID5034270 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1(C)NC(=NC1=O)C1=NC=C(C)C=C1C(O)=O Imazapic 104098-48-8|Imazapic|(+/-)-Imazapic|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-methylnicotinic acid|2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-|3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-methyl-|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-, (+/-)-|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-5-methyl-5-(1-methylethyl)-4-oxo-1H-imidazol-2-yl]-5-methyl-|5-Methyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|5-Methyl-2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid|AC 263222|Cadre|Flame (herbicide)|Imazameth|Imazamethapyr|Imazmethapyr|Oroban|138672-98-7|189506-95-4|81334-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034270
ERPathway2016 ERPathway2016_1074 Imazapic 104098-48-8 DTXSID5034270 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C1(C)NC(=NC1=O)C1=NC=C(C)C=C1C(O)=O Imazapic 104098-48-8|Imazapic|(+/-)-Imazapic|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-methylnicotinic acid|2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-|3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-methyl-|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-, (+/-)-|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-5-methyl-5-(1-methylethyl)-4-oxo-1H-imidazol-2-yl]-5-methyl-|5-Methyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|5-Methyl-2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid|AC 263222|Cadre|Flame (herbicide)|Imazameth|Imazamethapyr|Imazmethapyr|Oroban|138672-98-7|189506-95-4|81334-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034270
ERPathway2016 ERPathway2016_1074 Imazapic 104098-48-8 DTXSID5034270 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)C1(C)NC(=NC1=O)C1=NC=C(C)C=C1C(O)=O Imazapic 104098-48-8|Imazapic|(+/-)-Imazapic|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-methylnicotinic acid|2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-|3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-methyl-|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-methyl-, (+/-)-|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-5-methyl-5-(1-methylethyl)-4-oxo-1H-imidazol-2-yl]-5-methyl-|5-Methyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|5-Methyl-2-[5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid|AC 263222|Cadre|Flame (herbicide)|Imazameth|Imazamethapyr|Imazmethapyr|Oroban|138672-98-7|189506-95-4|81334-60-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034270
ARPathway2016 ARPathway2016_1611 Imazapyr 81334-34-1 DTXSID8034665 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1(C)N=C(NC1=O)C1=NC=CC=C1C(O)=O Imazapyr 81334-34-1|Imazapyr|(+-)-Imazapyr|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-pyridinecarboxylic acid|2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-|AC 243997|Arsenal 250A|BRN 5442754|Caswell No. 003F|Charper|Chopper|CL 243,997|EPA Pesticide Chemical Code 128821|UNII-787MX0M5A6|108224-78-8|94795-74-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034665
ARPathway2016 ARPathway2016_1611 Imazapyr 81334-34-1 DTXSID8034665 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1(C)N=C(NC1=O)C1=NC=CC=C1C(O)=O Imazapyr 81334-34-1|Imazapyr|(+-)-Imazapyr|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-pyridinecarboxylic acid|2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-|AC 243997|Arsenal 250A|BRN 5442754|Caswell No. 003F|Charper|Chopper|CL 243,997|EPA Pesticide Chemical Code 128821|UNII-787MX0M5A6|108224-78-8|94795-74-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034665
ARPathway2016 ARPathway2016_1611 Imazapyr 81334-34-1 DTXSID8034665 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C1(C)N=C(NC1=O)C1=NC=CC=C1C(O)=O Imazapyr 81334-34-1|Imazapyr|(+-)-Imazapyr|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-pyridinecarboxylic acid|2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-|AC 243997|Arsenal 250A|BRN 5442754|Caswell No. 003F|Charper|Chopper|CL 243,997|EPA Pesticide Chemical Code 128821|UNII-787MX0M5A6|108224-78-8|94795-74-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034665
ARPathway2016 ARPathway2016_1611 Imazapyr 81334-34-1 DTXSID8034665 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1(C)N=C(NC1=O)C1=NC=CC=C1C(O)=O Imazapyr 81334-34-1|Imazapyr|(+-)-Imazapyr|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-pyridinecarboxylic acid|2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-|AC 243997|Arsenal 250A|BRN 5442754|Caswell No. 003F|Charper|Chopper|CL 243,997|EPA Pesticide Chemical Code 128821|UNII-787MX0M5A6|108224-78-8|94795-74-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034665
ERPathway2016 ERPathway2016_1685 Imazapyr 81334-34-1 DTXSID8034665 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)C1(C)N=C(NC1=O)C1=NC=CC=C1C(O)=O Imazapyr 81334-34-1|Imazapyr|(+-)-Imazapyr|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-pyridinecarboxylic acid|2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-|AC 243997|Arsenal 250A|BRN 5442754|Caswell No. 003F|Charper|Chopper|CL 243,997|EPA Pesticide Chemical Code 128821|UNII-787MX0M5A6|108224-78-8|94795-74-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034665
ERPathway2016 ERPathway2016_1685 Imazapyr 81334-34-1 DTXSID8034665 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1(C)N=C(NC1=O)C1=NC=CC=C1C(O)=O Imazapyr 81334-34-1|Imazapyr|(+-)-Imazapyr|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-pyridinecarboxylic acid|2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-|AC 243997|Arsenal 250A|BRN 5442754|Caswell No. 003F|Charper|Chopper|CL 243,997|EPA Pesticide Chemical Code 128821|UNII-787MX0M5A6|108224-78-8|94795-74-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034665
ERPathway2016 ERPathway2016_1685 Imazapyr 81334-34-1 DTXSID8034665 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C1(C)N=C(NC1=O)C1=NC=CC=C1C(O)=O Imazapyr 81334-34-1|Imazapyr|(+-)-Imazapyr|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-pyridinecarboxylic acid|2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-|AC 243997|Arsenal 250A|BRN 5442754|Caswell No. 003F|Charper|Chopper|CL 243,997|EPA Pesticide Chemical Code 128821|UNII-787MX0M5A6|108224-78-8|94795-74-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034665
ERPathway2016 ERPathway2016_1685 Imazapyr 81334-34-1 DTXSID8034665 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)C1(C)N=C(NC1=O)C1=NC=CC=C1C(O)=O Imazapyr 81334-34-1|Imazapyr|(+-)-Imazapyr|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-pyridinecarboxylic acid|2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-|AC 243997|Arsenal 250A|BRN 5442754|Caswell No. 003F|Charper|Chopper|CL 243,997|EPA Pesticide Chemical Code 128821|UNII-787MX0M5A6|108224-78-8|94795-74-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034665
ARPathway2016 ARPathway2016_1612 Imazaquin 81335-37-7 DTXSID3024152 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1(C)N=C(NC1=O)C1=NC2=C(C=CC=C2)C=C1C(O)=O Imazaquin 81335-37-7|Imazaquin|(+/-)-Imazaquin|(R,S,)-2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-quinolinecarboxylic acid|2-(5-Isopropyl-5-methyl-4-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid|3- Quinolinecarboxylic acid, 2- [4, 5- dihydro- 4- methyl- 4- (1- methylethyl) - 5- oxo- 1H- imidazol- 2- yl] -|AC 252214|BRN 5450078|Caswell No. 003C|EPA Pesticide Chemical Code 128840|Image (pesticide)|Imazaquine|Scepter|Toneup|94795-75-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024152
ARPathway2016 ARPathway2016_1612 Imazaquin 81335-37-7 DTXSID3024152 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1(C)N=C(NC1=O)C1=NC2=C(C=CC=C2)C=C1C(O)=O Imazaquin 81335-37-7|Imazaquin|(+/-)-Imazaquin|(R,S,)-2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-quinolinecarboxylic acid|2-(5-Isopropyl-5-methyl-4-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid|3- Quinolinecarboxylic acid, 2- [4, 5- dihydro- 4- methyl- 4- (1- methylethyl) - 5- oxo- 1H- imidazol- 2- yl] -|AC 252214|BRN 5450078|Caswell No. 003C|EPA Pesticide Chemical Code 128840|Image (pesticide)|Imazaquine|Scepter|Toneup|94795-75-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024152
ARPathway2016 ARPathway2016_1612 Imazaquin 81335-37-7 DTXSID3024152 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C1(C)N=C(NC1=O)C1=NC2=C(C=CC=C2)C=C1C(O)=O Imazaquin 81335-37-7|Imazaquin|(+/-)-Imazaquin|(R,S,)-2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-quinolinecarboxylic acid|2-(5-Isopropyl-5-methyl-4-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid|3- Quinolinecarboxylic acid, 2- [4, 5- dihydro- 4- methyl- 4- (1- methylethyl) - 5- oxo- 1H- imidazol- 2- yl] -|AC 252214|BRN 5450078|Caswell No. 003C|EPA Pesticide Chemical Code 128840|Image (pesticide)|Imazaquine|Scepter|Toneup|94795-75-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024152
ARPathway2016 ARPathway2016_1612 Imazaquin 81335-37-7 DTXSID3024152 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1(C)N=C(NC1=O)C1=NC2=C(C=CC=C2)C=C1C(O)=O Imazaquin 81335-37-7|Imazaquin|(+/-)-Imazaquin|(R,S,)-2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-quinolinecarboxylic acid|2-(5-Isopropyl-5-methyl-4-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid|3- Quinolinecarboxylic acid, 2- [4, 5- dihydro- 4- methyl- 4- (1- methylethyl) - 5- oxo- 1H- imidazol- 2- yl] -|AC 252214|BRN 5450078|Caswell No. 003C|EPA Pesticide Chemical Code 128840|Image (pesticide)|Imazaquine|Scepter|Toneup|94795-75-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024152
ERPathway2016 ERPathway2016_1686 Imazaquin 81335-37-7 DTXSID3024152 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)C1(C)N=C(NC1=O)C1=NC2=C(C=CC=C2)C=C1C(O)=O Imazaquin 81335-37-7|Imazaquin|(+/-)-Imazaquin|(R,S,)-2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-quinolinecarboxylic acid|2-(5-Isopropyl-5-methyl-4-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid|3- Quinolinecarboxylic acid, 2- [4, 5- dihydro- 4- methyl- 4- (1- methylethyl) - 5- oxo- 1H- imidazol- 2- yl] -|AC 252214|BRN 5450078|Caswell No. 003C|EPA Pesticide Chemical Code 128840|Image (pesticide)|Imazaquine|Scepter|Toneup|94795-75-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024152
ERPathway2016 ERPathway2016_1686 Imazaquin 81335-37-7 DTXSID3024152 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1(C)N=C(NC1=O)C1=NC2=C(C=CC=C2)C=C1C(O)=O Imazaquin 81335-37-7|Imazaquin|(+/-)-Imazaquin|(R,S,)-2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-quinolinecarboxylic acid|2-(5-Isopropyl-5-methyl-4-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid|3- Quinolinecarboxylic acid, 2- [4, 5- dihydro- 4- methyl- 4- (1- methylethyl) - 5- oxo- 1H- imidazol- 2- yl] -|AC 252214|BRN 5450078|Caswell No. 003C|EPA Pesticide Chemical Code 128840|Image (pesticide)|Imazaquine|Scepter|Toneup|94795-75-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024152
ERPathway2016 ERPathway2016_1686 Imazaquin 81335-37-7 DTXSID3024152 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C1(C)N=C(NC1=O)C1=NC2=C(C=CC=C2)C=C1C(O)=O Imazaquin 81335-37-7|Imazaquin|(+/-)-Imazaquin|(R,S,)-2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-quinolinecarboxylic acid|2-(5-Isopropyl-5-methyl-4-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid|3- Quinolinecarboxylic acid, 2- [4, 5- dihydro- 4- methyl- 4- (1- methylethyl) - 5- oxo- 1H- imidazol- 2- yl] -|AC 252214|BRN 5450078|Caswell No. 003C|EPA Pesticide Chemical Code 128840|Image (pesticide)|Imazaquine|Scepter|Toneup|94795-75-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024152
ERPathway2016 ERPathway2016_1686 Imazaquin 81335-37-7 DTXSID3024152 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)C1(C)N=C(NC1=O)C1=NC2=C(C=CC=C2)C=C1C(O)=O Imazaquin 81335-37-7|Imazaquin|(+/-)-Imazaquin|(R,S,)-2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid|2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-quinolinecarboxylic acid|2-(5-Isopropyl-5-methyl-4-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid|3- Quinolinecarboxylic acid, 2- [4, 5- dihydro- 4- methyl- 4- (1- methylethyl) - 5- oxo- 1H- imidazol- 2- yl] -|AC 252214|BRN 5450078|Caswell No. 003C|EPA Pesticide Chemical Code 128840|Image (pesticide)|Imazaquine|Scepter|Toneup|94795-75-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024152
ARPathway2016 ARPathway2016_1613 Imazethapyr 81335-77-5 DTXSID3024287 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O Imazethapyr 81335-77-5|Imazethapyr|(+/-)-2-(4,5-Dihydro-4-methyl-4(1-methylethyl)-5-oxo-1H-imidazol-2yl)-5-ethyl-3-pyridinecarboxylic acid|(+/-)-5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid|(+/-)-Imazethapyr|(RS)-5-Ethyl-2(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-ethyl-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-ethyl-|5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl) nicotinic acid|5-Ethyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid|AC 263,499|AC 263499|CL 263499|EPA Pesticide Chemical Code 128922|Fabian|Pivot|Pursuit|Pursuit 10|UNII-72T2IN94I4|143914-59-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024287
ARPathway2016 ARPathway2016_1613 Imazethapyr 81335-77-5 DTXSID3024287 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O Imazethapyr 81335-77-5|Imazethapyr|(+/-)-2-(4,5-Dihydro-4-methyl-4(1-methylethyl)-5-oxo-1H-imidazol-2yl)-5-ethyl-3-pyridinecarboxylic acid|(+/-)-5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid|(+/-)-Imazethapyr|(RS)-5-Ethyl-2(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-ethyl-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-ethyl-|5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl) nicotinic acid|5-Ethyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid|AC 263,499|AC 263499|CL 263499|EPA Pesticide Chemical Code 128922|Fabian|Pivot|Pursuit|Pursuit 10|UNII-72T2IN94I4|143914-59-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024287
ARPathway2016 ARPathway2016_1613 Imazethapyr 81335-77-5 DTXSID3024287 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O Imazethapyr 81335-77-5|Imazethapyr|(+/-)-2-(4,5-Dihydro-4-methyl-4(1-methylethyl)-5-oxo-1H-imidazol-2yl)-5-ethyl-3-pyridinecarboxylic acid|(+/-)-5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid|(+/-)-Imazethapyr|(RS)-5-Ethyl-2(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-ethyl-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-ethyl-|5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl) nicotinic acid|5-Ethyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid|AC 263,499|AC 263499|CL 263499|EPA Pesticide Chemical Code 128922|Fabian|Pivot|Pursuit|Pursuit 10|UNII-72T2IN94I4|143914-59-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024287
ARPathway2016 ARPathway2016_1613 Imazethapyr 81335-77-5 DTXSID3024287 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O Imazethapyr 81335-77-5|Imazethapyr|(+/-)-2-(4,5-Dihydro-4-methyl-4(1-methylethyl)-5-oxo-1H-imidazol-2yl)-5-ethyl-3-pyridinecarboxylic acid|(+/-)-5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid|(+/-)-Imazethapyr|(RS)-5-Ethyl-2(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-ethyl-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-ethyl-|5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl) nicotinic acid|5-Ethyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid|AC 263,499|AC 263499|CL 263499|EPA Pesticide Chemical Code 128922|Fabian|Pivot|Pursuit|Pursuit 10|UNII-72T2IN94I4|143914-59-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024287
ERPathway2016 ERPathway2016_1687 Imazethapyr 81335-77-5 DTXSID3024287 ER Pathway Model, Agonist Model Score 0 Unitless CCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O Imazethapyr 81335-77-5|Imazethapyr|(+/-)-2-(4,5-Dihydro-4-methyl-4(1-methylethyl)-5-oxo-1H-imidazol-2yl)-5-ethyl-3-pyridinecarboxylic acid|(+/-)-5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid|(+/-)-Imazethapyr|(RS)-5-Ethyl-2(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-ethyl-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-ethyl-|5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl) nicotinic acid|5-Ethyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid|AC 263,499|AC 263499|CL 263499|EPA Pesticide Chemical Code 128922|Fabian|Pivot|Pursuit|Pursuit 10|UNII-72T2IN94I4|143914-59-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024287
ERPathway2016 ERPathway2016_1687 Imazethapyr 81335-77-5 DTXSID3024287 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O Imazethapyr 81335-77-5|Imazethapyr|(+/-)-2-(4,5-Dihydro-4-methyl-4(1-methylethyl)-5-oxo-1H-imidazol-2yl)-5-ethyl-3-pyridinecarboxylic acid|(+/-)-5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid|(+/-)-Imazethapyr|(RS)-5-Ethyl-2(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-ethyl-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-ethyl-|5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl) nicotinic acid|5-Ethyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid|AC 263,499|AC 263499|CL 263499|EPA Pesticide Chemical Code 128922|Fabian|Pivot|Pursuit|Pursuit 10|UNII-72T2IN94I4|143914-59-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024287
ERPathway2016 ERPathway2016_1687 Imazethapyr 81335-77-5 DTXSID3024287 ER Pathway Model, Agonist Call Inactive Unitless CCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O Imazethapyr 81335-77-5|Imazethapyr|(+/-)-2-(4,5-Dihydro-4-methyl-4(1-methylethyl)-5-oxo-1H-imidazol-2yl)-5-ethyl-3-pyridinecarboxylic acid|(+/-)-5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid|(+/-)-Imazethapyr|(RS)-5-Ethyl-2(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-ethyl-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-ethyl-|5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl) nicotinic acid|5-Ethyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid|AC 263,499|AC 263499|CL 263499|EPA Pesticide Chemical Code 128922|Fabian|Pivot|Pursuit|Pursuit 10|UNII-72T2IN94I4|143914-59-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024287
ERPathway2016 ERPathway2016_1687 Imazethapyr 81335-77-5 DTXSID3024287 ER Pathway Model, Antagonist Call Inactive Unitless CCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O Imazethapyr 81335-77-5|Imazethapyr|(+/-)-2-(4,5-Dihydro-4-methyl-4(1-methylethyl)-5-oxo-1H-imidazol-2yl)-5-ethyl-3-pyridinecarboxylic acid|(+/-)-5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid|(+/-)-Imazethapyr|(RS)-5-Ethyl-2(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid|2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-ethyl-3-pyridinecarboxylic acid|3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-ethyl-|5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl) nicotinic acid|5-Ethyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid|AC 263,499|AC 263499|CL 263499|EPA Pesticide Chemical Code 128922|Fabian|Pivot|Pursuit|Pursuit 10|UNII-72T2IN94I4|143914-59-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024287
ARPathway2016 ARPathway2016_813 Imidacloprid 138261-41-3 DTXSID5032442 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [O-][N+](=O)N=C1/NCCN1CC1=CN=C(Cl)C=C1 Imidacloprid 138261-41-3|Imidacloprid|(2E)-1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine|(E)-imidacloprid|1-((6-Chloro-3-pyridinyl)methyl)-N-nitro-2-imidazolidinimine|1-((6-chloro-3-pyridyl)methyl)-N-nitro-2-imidazolidinimine|1-(2-Chloro-5-pyridylmethyl)-2-(N-nitroimino)imidazolidine|1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-1H-imidazol-2-amine|1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine|1H-Imidazol-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-|2-Imidazolidinimine, 1-[(6-chloro-3-pyridinyl)methyl]-N-nitro-|2-Imidazolidinimine, 1-[(6-chloro-3-pyridinyl)methyl]-N-nitro-, (2E)-|Admire Pro|Advantage Flea Adulticide|AE-F 106464-00GR01B0|Baimieshi|BAY-NTN 33893|Bayer Advanced Season-Long Grub control|Comodor|Confidate|Confidor|Confidor 200 O-TEQ|Confidor 200 SL|Confidor 200SL|Confidor 240 O-TEQ|Confidor 70WG|Confidor SL|CoreTect|Couraze|Couraze Max|EPA Pesticide Chemical Code 129099|Gaucho 600FS|Gaucho Grande|Genesis|Hachikusan|IMD|Imicide|Kohinor|Macho Max|Marathon II|Meritgreen|NTN|NTN 33893|1223531-53-0|1258963-04-0|1395144-24-7|936094-08-5|937701-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032442
ARPathway2016 ARPathway2016_813 Imidacloprid 138261-41-3 DTXSID5032442 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)N=C1/NCCN1CC1=CN=C(Cl)C=C1 Imidacloprid 138261-41-3|Imidacloprid|(2E)-1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine|(E)-imidacloprid|1-((6-Chloro-3-pyridinyl)methyl)-N-nitro-2-imidazolidinimine|1-((6-chloro-3-pyridyl)methyl)-N-nitro-2-imidazolidinimine|1-(2-Chloro-5-pyridylmethyl)-2-(N-nitroimino)imidazolidine|1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-1H-imidazol-2-amine|1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine|1H-Imidazol-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-|2-Imidazolidinimine, 1-[(6-chloro-3-pyridinyl)methyl]-N-nitro-|2-Imidazolidinimine, 1-[(6-chloro-3-pyridinyl)methyl]-N-nitro-, (2E)-|Admire Pro|Advantage Flea Adulticide|AE-F 106464-00GR01B0|Baimieshi|BAY-NTN 33893|Bayer Advanced Season-Long Grub control|Comodor|Confidate|Confidor|Confidor 200 O-TEQ|Confidor 200 SL|Confidor 200SL|Confidor 240 O-TEQ|Confidor 70WG|Confidor SL|CoreTect|Couraze|Couraze Max|EPA Pesticide Chemical Code 129099|Gaucho 600FS|Gaucho Grande|Genesis|Hachikusan|IMD|Imicide|Kohinor|Macho Max|Marathon II|Meritgreen|NTN|NTN 33893|1223531-53-0|1258963-04-0|1395144-24-7|936094-08-5|937701-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032442
ARPathway2016 ARPathway2016_813 Imidacloprid 138261-41-3 DTXSID5032442 0.0 AR Pathway Model, Agonist Call Inactive Unitless [O-][N+](=O)N=C1/NCCN1CC1=CN=C(Cl)C=C1 Imidacloprid 138261-41-3|Imidacloprid|(2E)-1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine|(E)-imidacloprid|1-((6-Chloro-3-pyridinyl)methyl)-N-nitro-2-imidazolidinimine|1-((6-chloro-3-pyridyl)methyl)-N-nitro-2-imidazolidinimine|1-(2-Chloro-5-pyridylmethyl)-2-(N-nitroimino)imidazolidine|1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-1H-imidazol-2-amine|1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine|1H-Imidazol-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-|2-Imidazolidinimine, 1-[(6-chloro-3-pyridinyl)methyl]-N-nitro-|2-Imidazolidinimine, 1-[(6-chloro-3-pyridinyl)methyl]-N-nitro-, (2E)-|Admire Pro|Advantage Flea Adulticide|AE-F 106464-00GR01B0|Baimieshi|BAY-NTN 33893|Bayer Advanced Season-Long Grub control|Comodor|Confidate|Confidor|Confidor 200 O-TEQ|Confidor 200 SL|Confidor 200SL|Confidor 240 O-TEQ|Confidor 70WG|Confidor SL|CoreTect|Couraze|Couraze Max|EPA Pesticide Chemical Code 129099|Gaucho 600FS|Gaucho Grande|Genesis|Hachikusan|IMD|Imicide|Kohinor|Macho Max|Marathon II|Meritgreen|NTN|NTN 33893|1223531-53-0|1258963-04-0|1395144-24-7|936094-08-5|937701-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032442
ARPathway2016 ARPathway2016_813 Imidacloprid 138261-41-3 DTXSID5032442 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)N=C1/NCCN1CC1=CN=C(Cl)C=C1 Imidacloprid 138261-41-3|Imidacloprid|(2E)-1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine|(E)-imidacloprid|1-((6-Chloro-3-pyridinyl)methyl)-N-nitro-2-imidazolidinimine|1-((6-chloro-3-pyridyl)methyl)-N-nitro-2-imidazolidinimine|1-(2-Chloro-5-pyridylmethyl)-2-(N-nitroimino)imidazolidine|1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-1H-imidazol-2-amine|1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine|1H-Imidazol-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-|2-Imidazolidinimine, 1-[(6-chloro-3-pyridinyl)methyl]-N-nitro-|2-Imidazolidinimine, 1-[(6-chloro-3-pyridinyl)methyl]-N-nitro-, (2E)-|Admire Pro|Advantage Flea Adulticide|AE-F 106464-00GR01B0|Baimieshi|BAY-NTN 33893|Bayer Advanced Season-Long Grub control|Comodor|Confidate|Confidor|Confidor 200 O-TEQ|Confidor 200 SL|Confidor 200SL|Confidor 240 O-TEQ|Confidor 70WG|Confidor SL|CoreTect|Couraze|Couraze Max|EPA Pesticide Chemical Code 129099|Gaucho 600FS|Gaucho Grande|Genesis|Hachikusan|IMD|Imicide|Kohinor|Macho Max|Marathon II|Meritgreen|NTN|NTN 33893|1223531-53-0|1258963-04-0|1395144-24-7|936094-08-5|937701-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032442
ERPathway2016 ERPathway2016_1288 Imidacloprid 138261-41-3 DTXSID5032442 ER Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)N=C1/NCCN1CC1=CN=C(Cl)C=C1 Imidacloprid 138261-41-3|Imidacloprid|(2E)-1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine|(E)-imidacloprid|1-((6-Chloro-3-pyridinyl)methyl)-N-nitro-2-imidazolidinimine|1-((6-chloro-3-pyridyl)methyl)-N-nitro-2-imidazolidinimine|1-(2-Chloro-5-pyridylmethyl)-2-(N-nitroimino)imidazolidine|1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-1H-imidazol-2-amine|1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine|1H-Imidazol-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-|2-Imidazolidinimine, 1-[(6-chloro-3-pyridinyl)methyl]-N-nitro-|2-Imidazolidinimine, 1-[(6-chloro-3-pyridinyl)methyl]-N-nitro-, (2E)-|Admire Pro|Advantage Flea Adulticide|AE-F 106464-00GR01B0|Baimieshi|BAY-NTN 33893|Bayer Advanced Season-Long Grub control|Comodor|Confidate|Confidor|Confidor 200 O-TEQ|Confidor 200 SL|Confidor 200SL|Confidor 240 O-TEQ|Confidor 70WG|Confidor SL|CoreTect|Couraze|Couraze Max|EPA Pesticide Chemical Code 129099|Gaucho 600FS|Gaucho Grande|Genesis|Hachikusan|IMD|Imicide|Kohinor|Macho Max|Marathon II|Meritgreen|NTN|NTN 33893|1223531-53-0|1258963-04-0|1395144-24-7|936094-08-5|937701-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032442
ERPathway2016 ERPathway2016_1288 Imidacloprid 138261-41-3 DTXSID5032442 ER Pathway Model, Antagonist Model Score 0 Unitless [O-][N+](=O)N=C1/NCCN1CC1=CN=C(Cl)C=C1 Imidacloprid 138261-41-3|Imidacloprid|(2E)-1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine|(E)-imidacloprid|1-((6-Chloro-3-pyridinyl)methyl)-N-nitro-2-imidazolidinimine|1-((6-chloro-3-pyridyl)methyl)-N-nitro-2-imidazolidinimine|1-(2-Chloro-5-pyridylmethyl)-2-(N-nitroimino)imidazolidine|1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-1H-imidazol-2-amine|1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine|1H-Imidazol-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-|2-Imidazolidinimine, 1-[(6-chloro-3-pyridinyl)methyl]-N-nitro-|2-Imidazolidinimine, 1-[(6-chloro-3-pyridinyl)methyl]-N-nitro-, (2E)-|Admire Pro|Advantage Flea Adulticide|AE-F 106464-00GR01B0|Baimieshi|BAY-NTN 33893|Bayer Advanced Season-Long Grub control|Comodor|Confidate|Confidor|Confidor 200 O-TEQ|Confidor 200 SL|Confidor 200SL|Confidor 240 O-TEQ|Confidor 70WG|Confidor SL|CoreTect|Couraze|Couraze Max|EPA Pesticide Chemical Code 129099|Gaucho 600FS|Gaucho Grande|Genesis|Hachikusan|IMD|Imicide|Kohinor|Macho Max|Marathon II|Meritgreen|NTN|NTN 33893|1223531-53-0|1258963-04-0|1395144-24-7|936094-08-5|937701-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032442
ERPathway2016 ERPathway2016_1288 Imidacloprid 138261-41-3 DTXSID5032442 ER Pathway Model, Agonist Call Inactive Unitless [O-][N+](=O)N=C1/NCCN1CC1=CN=C(Cl)C=C1 Imidacloprid 138261-41-3|Imidacloprid|(2E)-1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine|(E)-imidacloprid|1-((6-Chloro-3-pyridinyl)methyl)-N-nitro-2-imidazolidinimine|1-((6-chloro-3-pyridyl)methyl)-N-nitro-2-imidazolidinimine|1-(2-Chloro-5-pyridylmethyl)-2-(N-nitroimino)imidazolidine|1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-1H-imidazol-2-amine|1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine|1H-Imidazol-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-|2-Imidazolidinimine, 1-[(6-chloro-3-pyridinyl)methyl]-N-nitro-|2-Imidazolidinimine, 1-[(6-chloro-3-pyridinyl)methyl]-N-nitro-, (2E)-|Admire Pro|Advantage Flea Adulticide|AE-F 106464-00GR01B0|Baimieshi|BAY-NTN 33893|Bayer Advanced Season-Long Grub control|Comodor|Confidate|Confidor|Confidor 200 O-TEQ|Confidor 200 SL|Confidor 200SL|Confidor 240 O-TEQ|Confidor 70WG|Confidor SL|CoreTect|Couraze|Couraze Max|EPA Pesticide Chemical Code 129099|Gaucho 600FS|Gaucho Grande|Genesis|Hachikusan|IMD|Imicide|Kohinor|Macho Max|Marathon II|Meritgreen|NTN|NTN 33893|1223531-53-0|1258963-04-0|1395144-24-7|936094-08-5|937701-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032442
ERPathway2016 ERPathway2016_1288 Imidacloprid 138261-41-3 DTXSID5032442 ER Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)N=C1/NCCN1CC1=CN=C(Cl)C=C1 Imidacloprid 138261-41-3|Imidacloprid|(2E)-1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine|(E)-imidacloprid|1-((6-Chloro-3-pyridinyl)methyl)-N-nitro-2-imidazolidinimine|1-((6-chloro-3-pyridyl)methyl)-N-nitro-2-imidazolidinimine|1-(2-Chloro-5-pyridylmethyl)-2-(N-nitroimino)imidazolidine|1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-1H-imidazol-2-amine|1-[(6-Chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine|1H-Imidazol-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-|2-Imidazolidinimine, 1-[(6-chloro-3-pyridinyl)methyl]-N-nitro-|2-Imidazolidinimine, 1-[(6-chloro-3-pyridinyl)methyl]-N-nitro-, (2E)-|Admire Pro|Advantage Flea Adulticide|AE-F 106464-00GR01B0|Baimieshi|BAY-NTN 33893|Bayer Advanced Season-Long Grub control|Comodor|Confidate|Confidor|Confidor 200 O-TEQ|Confidor 200 SL|Confidor 200SL|Confidor 240 O-TEQ|Confidor 70WG|Confidor SL|CoreTect|Couraze|Couraze Max|EPA Pesticide Chemical Code 129099|Gaucho 600FS|Gaucho Grande|Genesis|Hachikusan|IMD|Imicide|Kohinor|Macho Max|Marathon II|Meritgreen|NTN|NTN 33893|1223531-53-0|1258963-04-0|1395144-24-7|936094-08-5|937701-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032442
ARPathway2016 ARPathway2016_1104 Imidazole 288-32-4 DTXSID2029616 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless N1C=CN=C1 Imidazole 288-32-4|Imidazole|{Pyrro[b]monazole}|1,3-Diaza-2,4-cyclopentadiene|1,3-Diazole|1H-Imadazole|1H-IMIDAZOL|1H-Imidazole|3-Azapyrrole|5-23-04-00191|BRN 0103853|EINECS 206-019-2|Formamidine, N,N'-vinylene-|Glioksal|Glyoxalin|Glyoxaline|Him|IMD|Imidazol|iminazole|Imutex|Methanimidamide, N,N'-1,2-ethenediyl-|Miazole|N,N'-1,2-ethenediylmethanimidamide|N,N'-vinyleneformamidine|NSC 51860|NSC 60522|Pyrro(b)monazole|pyrro[b]monazole|UNII-7GBN705NH1|USAF EK-4733|116421-26-2|146117-15-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029616
ARPathway2016 ARPathway2016_1104 Imidazole 288-32-4 DTXSID2029616 0.0 AR Pathway Model, Agonist Model Score 0 Unitless N1C=CN=C1 Imidazole 288-32-4|Imidazole|{Pyrro[b]monazole}|1,3-Diaza-2,4-cyclopentadiene|1,3-Diazole|1H-Imadazole|1H-IMIDAZOL|1H-Imidazole|3-Azapyrrole|5-23-04-00191|BRN 0103853|EINECS 206-019-2|Formamidine, N,N'-vinylene-|Glioksal|Glyoxalin|Glyoxaline|Him|IMD|Imidazol|iminazole|Imutex|Methanimidamide, N,N'-1,2-ethenediyl-|Miazole|N,N'-1,2-ethenediylmethanimidamide|N,N'-vinyleneformamidine|NSC 51860|NSC 60522|Pyrro(b)monazole|pyrro[b]monazole|UNII-7GBN705NH1|USAF EK-4733|116421-26-2|146117-15-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029616
ARPathway2016 ARPathway2016_1104 Imidazole 288-32-4 DTXSID2029616 0.0 AR Pathway Model, Agonist Call Inactive Unitless N1C=CN=C1 Imidazole 288-32-4|Imidazole|{Pyrro[b]monazole}|1,3-Diaza-2,4-cyclopentadiene|1,3-Diazole|1H-Imadazole|1H-IMIDAZOL|1H-Imidazole|3-Azapyrrole|5-23-04-00191|BRN 0103853|EINECS 206-019-2|Formamidine, N,N'-vinylene-|Glioksal|Glyoxalin|Glyoxaline|Him|IMD|Imidazol|iminazole|Imutex|Methanimidamide, N,N'-1,2-ethenediyl-|Miazole|N,N'-1,2-ethenediylmethanimidamide|N,N'-vinyleneformamidine|NSC 51860|NSC 60522|Pyrro(b)monazole|pyrro[b]monazole|UNII-7GBN705NH1|USAF EK-4733|116421-26-2|146117-15-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029616
ARPathway2016 ARPathway2016_1104 Imidazole 288-32-4 DTXSID2029616 0.0 AR Pathway Model, Antagonist Call Inactive Unitless N1C=CN=C1 Imidazole 288-32-4|Imidazole|{Pyrro[b]monazole}|1,3-Diaza-2,4-cyclopentadiene|1,3-Diazole|1H-Imadazole|1H-IMIDAZOL|1H-Imidazole|3-Azapyrrole|5-23-04-00191|BRN 0103853|EINECS 206-019-2|Formamidine, N,N'-vinylene-|Glioksal|Glyoxalin|Glyoxaline|Him|IMD|Imidazol|iminazole|Imutex|Methanimidamide, N,N'-1,2-ethenediyl-|Miazole|N,N'-1,2-ethenediylmethanimidamide|N,N'-vinyleneformamidine|NSC 51860|NSC 60522|Pyrro(b)monazole|pyrro[b]monazole|UNII-7GBN705NH1|USAF EK-4733|116421-26-2|146117-15-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029616
ERPathway2016 ERPathway2016_1430 Imidazole 288-32-4 DTXSID2029616 ER Pathway Model, Agonist Model Score 0 Unitless N1C=CN=C1 Imidazole 288-32-4|Imidazole|{Pyrro[b]monazole}|1,3-Diaza-2,4-cyclopentadiene|1,3-Diazole|1H-Imadazole|1H-IMIDAZOL|1H-Imidazole|3-Azapyrrole|5-23-04-00191|BRN 0103853|EINECS 206-019-2|Formamidine, N,N'-vinylene-|Glioksal|Glyoxalin|Glyoxaline|Him|IMD|Imidazol|iminazole|Imutex|Methanimidamide, N,N'-1,2-ethenediyl-|Miazole|N,N'-1,2-ethenediylmethanimidamide|N,N'-vinyleneformamidine|NSC 51860|NSC 60522|Pyrro(b)monazole|pyrro[b]monazole|UNII-7GBN705NH1|USAF EK-4733|116421-26-2|146117-15-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029616
ERPathway2016 ERPathway2016_1430 Imidazole 288-32-4 DTXSID2029616 ER Pathway Model, Antagonist Model Score 0 Unitless N1C=CN=C1 Imidazole 288-32-4|Imidazole|{Pyrro[b]monazole}|1,3-Diaza-2,4-cyclopentadiene|1,3-Diazole|1H-Imadazole|1H-IMIDAZOL|1H-Imidazole|3-Azapyrrole|5-23-04-00191|BRN 0103853|EINECS 206-019-2|Formamidine, N,N'-vinylene-|Glioksal|Glyoxalin|Glyoxaline|Him|IMD|Imidazol|iminazole|Imutex|Methanimidamide, N,N'-1,2-ethenediyl-|Miazole|N,N'-1,2-ethenediylmethanimidamide|N,N'-vinyleneformamidine|NSC 51860|NSC 60522|Pyrro(b)monazole|pyrro[b]monazole|UNII-7GBN705NH1|USAF EK-4733|116421-26-2|146117-15-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029616
ERPathway2016 ERPathway2016_1430 Imidazole 288-32-4 DTXSID2029616 ER Pathway Model, Agonist Call Inactive Unitless N1C=CN=C1 Imidazole 288-32-4|Imidazole|{Pyrro[b]monazole}|1,3-Diaza-2,4-cyclopentadiene|1,3-Diazole|1H-Imadazole|1H-IMIDAZOL|1H-Imidazole|3-Azapyrrole|5-23-04-00191|BRN 0103853|EINECS 206-019-2|Formamidine, N,N'-vinylene-|Glioksal|Glyoxalin|Glyoxaline|Him|IMD|Imidazol|iminazole|Imutex|Methanimidamide, N,N'-1,2-ethenediyl-|Miazole|N,N'-1,2-ethenediylmethanimidamide|N,N'-vinyleneformamidine|NSC 51860|NSC 60522|Pyrro(b)monazole|pyrro[b]monazole|UNII-7GBN705NH1|USAF EK-4733|116421-26-2|146117-15-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029616
ERPathway2016 ERPathway2016_1430 Imidazole 288-32-4 DTXSID2029616 ER Pathway Model, Antagonist Call Inactive Unitless N1C=CN=C1 Imidazole 288-32-4|Imidazole|{Pyrro[b]monazole}|1,3-Diaza-2,4-cyclopentadiene|1,3-Diazole|1H-Imadazole|1H-IMIDAZOL|1H-Imidazole|3-Azapyrrole|5-23-04-00191|BRN 0103853|EINECS 206-019-2|Formamidine, N,N'-vinylene-|Glioksal|Glyoxalin|Glyoxaline|Him|IMD|Imidazol|iminazole|Imutex|Methanimidamide, N,N'-1,2-ethenediyl-|Miazole|N,N'-1,2-ethenediylmethanimidamide|N,N'-vinyleneformamidine|NSC 51860|NSC 60522|Pyrro(b)monazole|pyrro[b]monazole|UNII-7GBN705NH1|USAF EK-4733|116421-26-2|146117-15-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029616
ARPathway2016 ARPathway2016_1187 Imidazolidinyl urea 39236-46-9 DTXSID2040151 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O Imidazolidinyl urea 39236-46-9|Imidazolidinyl urea|EINECS 254-372-6|Euxyl K 200|Germal II|Germall 115|Imidurea|methanebis(N,N'-(5-ureido-2,4-diketotetrahydroimidazole)-N,N-dimethylol)|N,N''-Methylenbis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]harnstoff]|N,N''-methylenebis(N'-(3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)urea)|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]]urea|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea]|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]uree]|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]uree]|N,N''-metilenbis[N'-[3-(hidroximetil)-2,5-dioxoimidazolidin-4-il]urea]|Sepicide CI|UNII-M629807ATL|Urea, N,N'-methylenebis[N'-[3-hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|Urea, N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|UREA, N,N"-METHYLENEBIS[N'-[3-(HYDROXYMETHYL)-2,5-DIOXOIMIDAZOLIDIN-4-YL]|82852-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040151 https://doi.org/10.22427/NTP-DATA-DTXSID2040151
ARPathway2016 ARPathway2016_1187 Imidazolidinyl urea 39236-46-9 DTXSID2040151 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O Imidazolidinyl urea 39236-46-9|Imidazolidinyl urea|EINECS 254-372-6|Euxyl K 200|Germal II|Germall 115|Imidurea|methanebis(N,N'-(5-ureido-2,4-diketotetrahydroimidazole)-N,N-dimethylol)|N,N''-Methylenbis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]harnstoff]|N,N''-methylenebis(N'-(3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)urea)|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]]urea|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea]|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]uree]|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]uree]|N,N''-metilenbis[N'-[3-(hidroximetil)-2,5-dioxoimidazolidin-4-il]urea]|Sepicide CI|UNII-M629807ATL|Urea, N,N'-methylenebis[N'-[3-hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|Urea, N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|UREA, N,N"-METHYLENEBIS[N'-[3-(HYDROXYMETHYL)-2,5-DIOXOIMIDAZOLIDIN-4-YL]|82852-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040151 https://doi.org/10.22427/NTP-DATA-DTXSID2040151
ARPathway2016 ARPathway2016_1187 Imidazolidinyl urea 39236-46-9 DTXSID2040151 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O Imidazolidinyl urea 39236-46-9|Imidazolidinyl urea|EINECS 254-372-6|Euxyl K 200|Germal II|Germall 115|Imidurea|methanebis(N,N'-(5-ureido-2,4-diketotetrahydroimidazole)-N,N-dimethylol)|N,N''-Methylenbis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]harnstoff]|N,N''-methylenebis(N'-(3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)urea)|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]]urea|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea]|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]uree]|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]uree]|N,N''-metilenbis[N'-[3-(hidroximetil)-2,5-dioxoimidazolidin-4-il]urea]|Sepicide CI|UNII-M629807ATL|Urea, N,N'-methylenebis[N'-[3-hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|Urea, N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|UREA, N,N"-METHYLENEBIS[N'-[3-(HYDROXYMETHYL)-2,5-DIOXOIMIDAZOLIDIN-4-YL]|82852-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040151 https://doi.org/10.22427/NTP-DATA-DTXSID2040151
ARPathway2016 ARPathway2016_1187 Imidazolidinyl urea 39236-46-9 DTXSID2040151 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O Imidazolidinyl urea 39236-46-9|Imidazolidinyl urea|EINECS 254-372-6|Euxyl K 200|Germal II|Germall 115|Imidurea|methanebis(N,N'-(5-ureido-2,4-diketotetrahydroimidazole)-N,N-dimethylol)|N,N''-Methylenbis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]harnstoff]|N,N''-methylenebis(N'-(3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)urea)|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]]urea|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea]|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]uree]|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]uree]|N,N''-metilenbis[N'-[3-(hidroximetil)-2,5-dioxoimidazolidin-4-il]urea]|Sepicide CI|UNII-M629807ATL|Urea, N,N'-methylenebis[N'-[3-hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|Urea, N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|UREA, N,N"-METHYLENEBIS[N'-[3-(HYDROXYMETHYL)-2,5-DIOXOIMIDAZOLIDIN-4-YL]|82852-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040151 https://doi.org/10.22427/NTP-DATA-DTXSID2040151
ERPathway2016 ERPathway2016_478 Imidazolidinyl urea 39236-46-9 DTXSID2040151 ER Pathway Model, Antagonist AC50 57.238265050848 uM OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O Imidazolidinyl urea 39236-46-9|Imidazolidinyl urea|EINECS 254-372-6|Euxyl K 200|Germal II|Germall 115|Imidurea|methanebis(N,N'-(5-ureido-2,4-diketotetrahydroimidazole)-N,N-dimethylol)|N,N''-Methylenbis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]harnstoff]|N,N''-methylenebis(N'-(3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)urea)|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]]urea|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea]|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]uree]|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]uree]|N,N''-metilenbis[N'-[3-(hidroximetil)-2,5-dioxoimidazolidin-4-il]urea]|Sepicide CI|UNII-M629807ATL|Urea, N,N'-methylenebis[N'-[3-hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|Urea, N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|UREA, N,N"-METHYLENEBIS[N'-[3-(HYDROXYMETHYL)-2,5-DIOXOIMIDAZOLIDIN-4-YL]|82852-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040151 https://doi.org/10.22427/NTP-DATA-DTXSID2040151
ERPathway2016 ERPathway2016_478 Imidazolidinyl urea 39236-46-9 DTXSID2040151 ER Pathway Model, Antagonist ACC 58.8503188856605 uM OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O Imidazolidinyl urea 39236-46-9|Imidazolidinyl urea|EINECS 254-372-6|Euxyl K 200|Germal II|Germall 115|Imidurea|methanebis(N,N'-(5-ureido-2,4-diketotetrahydroimidazole)-N,N-dimethylol)|N,N''-Methylenbis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]harnstoff]|N,N''-methylenebis(N'-(3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)urea)|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]]urea|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea]|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]uree]|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]uree]|N,N''-metilenbis[N'-[3-(hidroximetil)-2,5-dioxoimidazolidin-4-il]urea]|Sepicide CI|UNII-M629807ATL|Urea, N,N'-methylenebis[N'-[3-hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|Urea, N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|UREA, N,N"-METHYLENEBIS[N'-[3-(HYDROXYMETHYL)-2,5-DIOXOIMIDAZOLIDIN-4-YL]|82852-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040151 https://doi.org/10.22427/NTP-DATA-DTXSID2040151
ERPathway2016 ERPathway2016_478 Imidazolidinyl urea 39236-46-9 DTXSID2040151 ER Pathway Model, Agonist Model Score 0.00189 Unitless OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O Imidazolidinyl urea 39236-46-9|Imidazolidinyl urea|EINECS 254-372-6|Euxyl K 200|Germal II|Germall 115|Imidurea|methanebis(N,N'-(5-ureido-2,4-diketotetrahydroimidazole)-N,N-dimethylol)|N,N''-Methylenbis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]harnstoff]|N,N''-methylenebis(N'-(3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)urea)|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]]urea|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea]|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]uree]|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]uree]|N,N''-metilenbis[N'-[3-(hidroximetil)-2,5-dioxoimidazolidin-4-il]urea]|Sepicide CI|UNII-M629807ATL|Urea, N,N'-methylenebis[N'-[3-hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|Urea, N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|UREA, N,N"-METHYLENEBIS[N'-[3-(HYDROXYMETHYL)-2,5-DIOXOIMIDAZOLIDIN-4-YL]|82852-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040151 https://doi.org/10.22427/NTP-DATA-DTXSID2040151
ERPathway2016 ERPathway2016_478 Imidazolidinyl urea 39236-46-9 DTXSID2040151 ER Pathway Model, Antagonist Model Score 0 Unitless OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O Imidazolidinyl urea 39236-46-9|Imidazolidinyl urea|EINECS 254-372-6|Euxyl K 200|Germal II|Germall 115|Imidurea|methanebis(N,N'-(5-ureido-2,4-diketotetrahydroimidazole)-N,N-dimethylol)|N,N''-Methylenbis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]harnstoff]|N,N''-methylenebis(N'-(3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)urea)|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]]urea|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea]|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]uree]|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]uree]|N,N''-metilenbis[N'-[3-(hidroximetil)-2,5-dioxoimidazolidin-4-il]urea]|Sepicide CI|UNII-M629807ATL|Urea, N,N'-methylenebis[N'-[3-hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|Urea, N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|UREA, N,N"-METHYLENEBIS[N'-[3-(HYDROXYMETHYL)-2,5-DIOXOIMIDAZOLIDIN-4-YL]|82852-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040151 https://doi.org/10.22427/NTP-DATA-DTXSID2040151
ERPathway2016 ERPathway2016_478 Imidazolidinyl urea 39236-46-9 DTXSID2040151 ER Pathway Model, Agonist Call Inactive Unitless OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O Imidazolidinyl urea 39236-46-9|Imidazolidinyl urea|EINECS 254-372-6|Euxyl K 200|Germal II|Germall 115|Imidurea|methanebis(N,N'-(5-ureido-2,4-diketotetrahydroimidazole)-N,N-dimethylol)|N,N''-Methylenbis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]harnstoff]|N,N''-methylenebis(N'-(3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)urea)|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]]urea|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea]|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]uree]|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]uree]|N,N''-metilenbis[N'-[3-(hidroximetil)-2,5-dioxoimidazolidin-4-il]urea]|Sepicide CI|UNII-M629807ATL|Urea, N,N'-methylenebis[N'-[3-hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|Urea, N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|UREA, N,N"-METHYLENEBIS[N'-[3-(HYDROXYMETHYL)-2,5-DIOXOIMIDAZOLIDIN-4-YL]|82852-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040151 https://doi.org/10.22427/NTP-DATA-DTXSID2040151
ERPathway2016 ERPathway2016_478 Imidazolidinyl urea 39236-46-9 DTXSID2040151 ER Pathway Model, Antagonist Call Active Unitless OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O Imidazolidinyl urea 39236-46-9|Imidazolidinyl urea|EINECS 254-372-6|Euxyl K 200|Germal II|Germall 115|Imidurea|methanebis(N,N'-(5-ureido-2,4-diketotetrahydroimidazole)-N,N-dimethylol)|N,N''-Methylenbis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]harnstoff]|N,N''-methylenebis(N'-(3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)urea)|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]]urea|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea]|N,N''-Methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]uree]|N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidine-4-yl]uree]|N,N''-metilenbis[N'-[3-(hidroximetil)-2,5-dioxoimidazolidin-4-il]urea]|Sepicide CI|UNII-M629807ATL|Urea, N,N'-methylenebis[N'-[3-hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|Urea, N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-|UREA, N,N"-METHYLENEBIS[N'-[3-(HYDROXYMETHYL)-2,5-DIOXOIMIDAZOLIDIN-4-YL]|82852-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040151 https://doi.org/10.22427/NTP-DATA-DTXSID2040151
ARPathway2016 ARPathway2016_772 Indium arsenide 1303-11-3 DTXSID5023825 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [As]#[In] Indium arsenide 1303-11-3|Indium arsenide|Arseniure d'indium|arseniuro de indio|EINECS 215-115-3|Indiam arsenide|Indium arsenide,|Indium monoarsenide|Indiumarsenid|UNII-J1A23S0911|1018852-65-7|1370553-14-2|817163-79-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023825
ARPathway2016 ARPathway2016_772 Indium arsenide 1303-11-3 DTXSID5023825 0.0 AR Pathway Model, Agonist Call Inactive Unitless [As]#[In] Indium arsenide 1303-11-3|Indium arsenide|Arseniure d'indium|arseniuro de indio|EINECS 215-115-3|Indiam arsenide|Indium arsenide,|Indium monoarsenide|Indiumarsenid|UNII-J1A23S0911|1018852-65-7|1370553-14-2|817163-79-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023825
ARPathway2016 ARPathway2016_772 Indium arsenide 1303-11-3 DTXSID5023825 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [As]#[In] Indium arsenide 1303-11-3|Indium arsenide|Arseniure d'indium|arseniuro de indio|EINECS 215-115-3|Indiam arsenide|Indium arsenide,|Indium monoarsenide|Indiumarsenid|UNII-J1A23S0911|1018852-65-7|1370553-14-2|817163-79-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023825
ARPathway2016 ARPathway2016_772 Indium arsenide 1303-11-3 DTXSID5023825 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [As]#[In] Indium arsenide 1303-11-3|Indium arsenide|Arseniure d'indium|arseniuro de indio|EINECS 215-115-3|Indiam arsenide|Indium arsenide,|Indium monoarsenide|Indiumarsenid|UNII-J1A23S0911|1018852-65-7|1370553-14-2|817163-79-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023825
ERPathway2016 ERPathway2016_925 Indium arsenide 1303-11-3 DTXSID5023825 ER Pathway Model, Agonist Model Score 0 Unitless [As]#[In] Indium arsenide 1303-11-3|Indium arsenide|Arseniure d'indium|arseniuro de indio|EINECS 215-115-3|Indiam arsenide|Indium arsenide,|Indium monoarsenide|Indiumarsenid|UNII-J1A23S0911|1018852-65-7|1370553-14-2|817163-79-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023825
ERPathway2016 ERPathway2016_925 Indium arsenide 1303-11-3 DTXSID5023825 ER Pathway Model, Antagonist Model Score 0 Unitless [As]#[In] Indium arsenide 1303-11-3|Indium arsenide|Arseniure d'indium|arseniuro de indio|EINECS 215-115-3|Indiam arsenide|Indium arsenide,|Indium monoarsenide|Indiumarsenid|UNII-J1A23S0911|1018852-65-7|1370553-14-2|817163-79-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023825
ERPathway2016 ERPathway2016_925 Indium arsenide 1303-11-3 DTXSID5023825 ER Pathway Model, Agonist Call Inactive Unitless [As]#[In] Indium arsenide 1303-11-3|Indium arsenide|Arseniure d'indium|arseniuro de indio|EINECS 215-115-3|Indiam arsenide|Indium arsenide,|Indium monoarsenide|Indiumarsenid|UNII-J1A23S0911|1018852-65-7|1370553-14-2|817163-79-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023825
ERPathway2016 ERPathway2016_925 Indium arsenide 1303-11-3 DTXSID5023825 ER Pathway Model, Antagonist Call Inactive Unitless [As]#[In] Indium arsenide 1303-11-3|Indium arsenide|Arseniure d'indium|arseniuro de indio|EINECS 215-115-3|Indiam arsenide|Indium arsenide,|Indium monoarsenide|Indiumarsenid|UNII-J1A23S0911|1018852-65-7|1370553-14-2|817163-79-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023825
ARPathway2016 ARPathway2016_676 Indole 120-72-9 DTXSID0020737 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless N1C=CC2=C1C=CC=C2 Indole 120-72-9|Indole|1-Azaindene|1-Benzazole|1-Benzo(b)pyrrole|1H-indole|2,3-Benzopyrole|2,3-Benzopyrrole|Benzo[b]pyrrole|Benzopyrrole|Caswell No. 498B|EINECS 204-420-7|EPA Pesticide Chemical Code 025000|FEMA No. 2593|Indol|NSC 1964|UNII-8724FJW4M5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020737
ARPathway2016 ARPathway2016_676 Indole 120-72-9 DTXSID0020737 0.0 AR Pathway Model, Agonist Model Score 0 Unitless N1C=CC2=C1C=CC=C2 Indole 120-72-9|Indole|1-Azaindene|1-Benzazole|1-Benzo(b)pyrrole|1H-indole|2,3-Benzopyrole|2,3-Benzopyrrole|Benzo[b]pyrrole|Benzopyrrole|Caswell No. 498B|EINECS 204-420-7|EPA Pesticide Chemical Code 025000|FEMA No. 2593|Indol|NSC 1964|UNII-8724FJW4M5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020737
ARPathway2016 ARPathway2016_676 Indole 120-72-9 DTXSID0020737 0.0 AR Pathway Model, Agonist Call Inactive Unitless N1C=CC2=C1C=CC=C2 Indole 120-72-9|Indole|1-Azaindene|1-Benzazole|1-Benzo(b)pyrrole|1H-indole|2,3-Benzopyrole|2,3-Benzopyrrole|Benzo[b]pyrrole|Benzopyrrole|Caswell No. 498B|EINECS 204-420-7|EPA Pesticide Chemical Code 025000|FEMA No. 2593|Indol|NSC 1964|UNII-8724FJW4M5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020737
ARPathway2016 ARPathway2016_676 Indole 120-72-9 DTXSID0020737 0.0 AR Pathway Model, Antagonist Call Inactive Unitless N1C=CC2=C1C=CC=C2 Indole 120-72-9|Indole|1-Azaindene|1-Benzazole|1-Benzo(b)pyrrole|1H-indole|2,3-Benzopyrole|2,3-Benzopyrrole|Benzo[b]pyrrole|Benzopyrrole|Caswell No. 498B|EINECS 204-420-7|EPA Pesticide Chemical Code 025000|FEMA No. 2593|Indol|NSC 1964|UNII-8724FJW4M5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020737
ERPathway2016 ERPathway2016_1212 Indole 120-72-9 DTXSID0020737 ER Pathway Model, Agonist Model Score 0 Unitless N1C=CC2=C1C=CC=C2 Indole 120-72-9|Indole|1-Azaindene|1-Benzazole|1-Benzo(b)pyrrole|1H-indole|2,3-Benzopyrole|2,3-Benzopyrrole|Benzo[b]pyrrole|Benzopyrrole|Caswell No. 498B|EINECS 204-420-7|EPA Pesticide Chemical Code 025000|FEMA No. 2593|Indol|NSC 1964|UNII-8724FJW4M5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020737
ERPathway2016 ERPathway2016_1212 Indole 120-72-9 DTXSID0020737 ER Pathway Model, Antagonist Model Score 0 Unitless N1C=CC2=C1C=CC=C2 Indole 120-72-9|Indole|1-Azaindene|1-Benzazole|1-Benzo(b)pyrrole|1H-indole|2,3-Benzopyrole|2,3-Benzopyrrole|Benzo[b]pyrrole|Benzopyrrole|Caswell No. 498B|EINECS 204-420-7|EPA Pesticide Chemical Code 025000|FEMA No. 2593|Indol|NSC 1964|UNII-8724FJW4M5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020737
ERPathway2016 ERPathway2016_1212 Indole 120-72-9 DTXSID0020737 ER Pathway Model, Agonist Call Inactive Unitless N1C=CC2=C1C=CC=C2 Indole 120-72-9|Indole|1-Azaindene|1-Benzazole|1-Benzo(b)pyrrole|1H-indole|2,3-Benzopyrole|2,3-Benzopyrrole|Benzo[b]pyrrole|Benzopyrrole|Caswell No. 498B|EINECS 204-420-7|EPA Pesticide Chemical Code 025000|FEMA No. 2593|Indol|NSC 1964|UNII-8724FJW4M5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020737
ERPathway2016 ERPathway2016_1212 Indole 120-72-9 DTXSID0020737 ER Pathway Model, Antagonist Call Inactive Unitless N1C=CC2=C1C=CC=C2 Indole 120-72-9|Indole|1-Azaindene|1-Benzazole|1-Benzo(b)pyrrole|1H-indole|2,3-Benzopyrole|2,3-Benzopyrrole|Benzo[b]pyrrole|Benzopyrrole|Caswell No. 498B|EINECS 204-420-7|EPA Pesticide Chemical Code 025000|FEMA No. 2593|Indol|NSC 1964|UNII-8724FJW4M5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020737
ARPathway2016 ARPathway2016_1295 Indomethacin 53-86-1 DTXSID9020740 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O Indomethacin 53-86-1|Indomethacin|(1-p-Chlorobenzoyl-5-methoxy-2-methylindol-3-yl)acetic acid|[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid|1-(4-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid|1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid|1-(4-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid|1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure|1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid|1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid|1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetic acid|1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid|1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico|1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-|5-22-05-00239|alpha-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid|Artracin|Artrinovo|Artrivia|Bonidin|Bonidon Gel|BRN 0497341|Chibro-Amuno|Chrono-Indicid|Chrono-Indocid 75|Confortid|Dolcidium|Dolcidium PL|Dolovin|Durametacin|EINECS 200-186-5|Elmetacin|Idomethine|Imbrilon|Indacin|Indo-|37242-43-6|503560-73-4|91853-74-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020740 https://doi.org/10.22427/NTP-DATA-DTXSID9020740
ARPathway2016 ARPathway2016_1295 Indomethacin 53-86-1 DTXSID9020740 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O Indomethacin 53-86-1|Indomethacin|(1-p-Chlorobenzoyl-5-methoxy-2-methylindol-3-yl)acetic acid|[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid|1-(4-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid|1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid|1-(4-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid|1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure|1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid|1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid|1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetic acid|1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid|1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico|1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-|5-22-05-00239|alpha-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid|Artracin|Artrinovo|Artrivia|Bonidin|Bonidon Gel|BRN 0497341|Chibro-Amuno|Chrono-Indicid|Chrono-Indocid 75|Confortid|Dolcidium|Dolcidium PL|Dolovin|Durametacin|EINECS 200-186-5|Elmetacin|Idomethine|Imbrilon|Indacin|Indo-|37242-43-6|503560-73-4|91853-74-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020740 https://doi.org/10.22427/NTP-DATA-DTXSID9020740
ARPathway2016 ARPathway2016_1295 Indomethacin 53-86-1 DTXSID9020740 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O Indomethacin 53-86-1|Indomethacin|(1-p-Chlorobenzoyl-5-methoxy-2-methylindol-3-yl)acetic acid|[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid|1-(4-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid|1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid|1-(4-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid|1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure|1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid|1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid|1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetic acid|1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid|1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico|1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-|5-22-05-00239|alpha-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid|Artracin|Artrinovo|Artrivia|Bonidin|Bonidon Gel|BRN 0497341|Chibro-Amuno|Chrono-Indicid|Chrono-Indocid 75|Confortid|Dolcidium|Dolcidium PL|Dolovin|Durametacin|EINECS 200-186-5|Elmetacin|Idomethine|Imbrilon|Indacin|Indo-|37242-43-6|503560-73-4|91853-74-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020740 https://doi.org/10.22427/NTP-DATA-DTXSID9020740
ARPathway2016 ARPathway2016_1295 Indomethacin 53-86-1 DTXSID9020740 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O Indomethacin 53-86-1|Indomethacin|(1-p-Chlorobenzoyl-5-methoxy-2-methylindol-3-yl)acetic acid|[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid|1-(4-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid|1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid|1-(4-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid|1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure|1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid|1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid|1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetic acid|1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid|1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico|1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-|5-22-05-00239|alpha-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid|Artracin|Artrinovo|Artrivia|Bonidin|Bonidon Gel|BRN 0497341|Chibro-Amuno|Chrono-Indicid|Chrono-Indocid 75|Confortid|Dolcidium|Dolcidium PL|Dolovin|Durametacin|EINECS 200-186-5|Elmetacin|Idomethine|Imbrilon|Indacin|Indo-|37242-43-6|503560-73-4|91853-74-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020740 https://doi.org/10.22427/NTP-DATA-DTXSID9020740
ERPathway2016 ERPathway2016_1519 Indomethacin 53-86-1 DTXSID9020740 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O Indomethacin 53-86-1|Indomethacin|(1-p-Chlorobenzoyl-5-methoxy-2-methylindol-3-yl)acetic acid|[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid|1-(4-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid|1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid|1-(4-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid|1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure|1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid|1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid|1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetic acid|1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid|1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico|1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-|5-22-05-00239|alpha-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid|Artracin|Artrinovo|Artrivia|Bonidin|Bonidon Gel|BRN 0497341|Chibro-Amuno|Chrono-Indicid|Chrono-Indocid 75|Confortid|Dolcidium|Dolcidium PL|Dolovin|Durametacin|EINECS 200-186-5|Elmetacin|Idomethine|Imbrilon|Indacin|Indo-|37242-43-6|503560-73-4|91853-74-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020740 https://doi.org/10.22427/NTP-DATA-DTXSID9020740
ERPathway2016 ERPathway2016_1519 Indomethacin 53-86-1 DTXSID9020740 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O Indomethacin 53-86-1|Indomethacin|(1-p-Chlorobenzoyl-5-methoxy-2-methylindol-3-yl)acetic acid|[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid|1-(4-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid|1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid|1-(4-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid|1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure|1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid|1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid|1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetic acid|1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid|1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico|1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-|5-22-05-00239|alpha-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid|Artracin|Artrinovo|Artrivia|Bonidin|Bonidon Gel|BRN 0497341|Chibro-Amuno|Chrono-Indicid|Chrono-Indocid 75|Confortid|Dolcidium|Dolcidium PL|Dolovin|Durametacin|EINECS 200-186-5|Elmetacin|Idomethine|Imbrilon|Indacin|Indo-|37242-43-6|503560-73-4|91853-74-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020740 https://doi.org/10.22427/NTP-DATA-DTXSID9020740
ERPathway2016 ERPathway2016_1519 Indomethacin 53-86-1 DTXSID9020740 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O Indomethacin 53-86-1|Indomethacin|(1-p-Chlorobenzoyl-5-methoxy-2-methylindol-3-yl)acetic acid|[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid|1-(4-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid|1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid|1-(4-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid|1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure|1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid|1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid|1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetic acid|1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid|1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico|1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-|5-22-05-00239|alpha-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid|Artracin|Artrinovo|Artrivia|Bonidin|Bonidon Gel|BRN 0497341|Chibro-Amuno|Chrono-Indicid|Chrono-Indocid 75|Confortid|Dolcidium|Dolcidium PL|Dolovin|Durametacin|EINECS 200-186-5|Elmetacin|Idomethine|Imbrilon|Indacin|Indo-|37242-43-6|503560-73-4|91853-74-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020740 https://doi.org/10.22427/NTP-DATA-DTXSID9020740
ERPathway2016 ERPathway2016_1519 Indomethacin 53-86-1 DTXSID9020740 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O Indomethacin 53-86-1|Indomethacin|(1-p-Chlorobenzoyl-5-methoxy-2-methylindol-3-yl)acetic acid|[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid|1-(4-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid|1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid|1-(4-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid|1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure|1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid|1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid|1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetic acid|1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid|1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico|1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-|5-22-05-00239|alpha-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid|Artracin|Artrinovo|Artrivia|Bonidin|Bonidon Gel|BRN 0497341|Chibro-Amuno|Chrono-Indicid|Chrono-Indocid 75|Confortid|Dolcidium|Dolcidium PL|Dolovin|Durametacin|EINECS 200-186-5|Elmetacin|Idomethine|Imbrilon|Indacin|Indo-|37242-43-6|503560-73-4|91853-74-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020740 https://doi.org/10.22427/NTP-DATA-DTXSID9020740
ARPathway2016 ARPathway2016_935 Indoxacarb 173584-44-6 DTXSID1032690 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)N(C(=O)N1CO[C@]2(CC3=C(C=CC(Cl)=C3)C2=N1)C(=O)OC)C1=CC=C(OC(F)(F)F)C=C1 Indoxacarb 173584-44-6|Indoxacarb|(S)-Indoxacarb|605-683-4|Advion fire ant bait|DPX-KN128|DPX-MP 062-381|DPX-MP 062-382|DPX-MP 062-385|DPX-MP 062-390|DPX-MP 062-391|DPX-MP 062-400|DPX-MP062|EC No.: 605-683-4|Explicit|Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (4aS)-|Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (S)-|Indoxacarb MP|Methyl (4aS)-7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4- (trifluoromethoxy)phenyl]amino]carbonyl]indeno[1,2- e][1,3,4]oxadiazine-4a(3H)-carboxylate. (S)-methyl 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4- (trifluoromethoxy)phenyl]amino]carbonyl]=indeno[1,2- e][1,3,4]oxadiazine-4a(3H)-carboxylate|Methyl (S)-7chloro-2,5-dihydro-2-(((methoxycarbonyl)(4-(trifluoromethoxy)phenyl)amino)carbonylindeno(1,2-e)(1,3,4)oxadiazine-4a(3H)-carboxylate|Parkway Mole Cricket Bait|Provaunt|S-(+)-Indoxacarb|Stewa|174060-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032690 https://doi.org/10.22427/NTP-DATA-DTXSID1032690
ARPathway2016 ARPathway2016_935 Indoxacarb 173584-44-6 DTXSID1032690 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)N(C(=O)N1CO[C@]2(CC3=C(C=CC(Cl)=C3)C2=N1)C(=O)OC)C1=CC=C(OC(F)(F)F)C=C1 Indoxacarb 173584-44-6|Indoxacarb|(S)-Indoxacarb|605-683-4|Advion fire ant bait|DPX-KN128|DPX-MP 062-381|DPX-MP 062-382|DPX-MP 062-385|DPX-MP 062-390|DPX-MP 062-391|DPX-MP 062-400|DPX-MP062|EC No.: 605-683-4|Explicit|Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (4aS)-|Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (S)-|Indoxacarb MP|Methyl (4aS)-7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4- (trifluoromethoxy)phenyl]amino]carbonyl]indeno[1,2- e][1,3,4]oxadiazine-4a(3H)-carboxylate. (S)-methyl 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4- (trifluoromethoxy)phenyl]amino]carbonyl]=indeno[1,2- e][1,3,4]oxadiazine-4a(3H)-carboxylate|Methyl (S)-7chloro-2,5-dihydro-2-(((methoxycarbonyl)(4-(trifluoromethoxy)phenyl)amino)carbonylindeno(1,2-e)(1,3,4)oxadiazine-4a(3H)-carboxylate|Parkway Mole Cricket Bait|Provaunt|S-(+)-Indoxacarb|Stewa|174060-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032690 https://doi.org/10.22427/NTP-DATA-DTXSID1032690
ARPathway2016 ARPathway2016_935 Indoxacarb 173584-44-6 DTXSID1032690 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)N(C(=O)N1CO[C@]2(CC3=C(C=CC(Cl)=C3)C2=N1)C(=O)OC)C1=CC=C(OC(F)(F)F)C=C1 Indoxacarb 173584-44-6|Indoxacarb|(S)-Indoxacarb|605-683-4|Advion fire ant bait|DPX-KN128|DPX-MP 062-381|DPX-MP 062-382|DPX-MP 062-385|DPX-MP 062-390|DPX-MP 062-391|DPX-MP 062-400|DPX-MP062|EC No.: 605-683-4|Explicit|Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (4aS)-|Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (S)-|Indoxacarb MP|Methyl (4aS)-7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4- (trifluoromethoxy)phenyl]amino]carbonyl]indeno[1,2- e][1,3,4]oxadiazine-4a(3H)-carboxylate. (S)-methyl 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4- (trifluoromethoxy)phenyl]amino]carbonyl]=indeno[1,2- e][1,3,4]oxadiazine-4a(3H)-carboxylate|Methyl (S)-7chloro-2,5-dihydro-2-(((methoxycarbonyl)(4-(trifluoromethoxy)phenyl)amino)carbonylindeno(1,2-e)(1,3,4)oxadiazine-4a(3H)-carboxylate|Parkway Mole Cricket Bait|Provaunt|S-(+)-Indoxacarb|Stewa|174060-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032690 https://doi.org/10.22427/NTP-DATA-DTXSID1032690
ARPathway2016 ARPathway2016_935 Indoxacarb 173584-44-6 DTXSID1032690 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)N(C(=O)N1CO[C@]2(CC3=C(C=CC(Cl)=C3)C2=N1)C(=O)OC)C1=CC=C(OC(F)(F)F)C=C1 Indoxacarb 173584-44-6|Indoxacarb|(S)-Indoxacarb|605-683-4|Advion fire ant bait|DPX-KN128|DPX-MP 062-381|DPX-MP 062-382|DPX-MP 062-385|DPX-MP 062-390|DPX-MP 062-391|DPX-MP 062-400|DPX-MP062|EC No.: 605-683-4|Explicit|Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (4aS)-|Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (S)-|Indoxacarb MP|Methyl (4aS)-7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4- (trifluoromethoxy)phenyl]amino]carbonyl]indeno[1,2- e][1,3,4]oxadiazine-4a(3H)-carboxylate. (S)-methyl 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4- (trifluoromethoxy)phenyl]amino]carbonyl]=indeno[1,2- e][1,3,4]oxadiazine-4a(3H)-carboxylate|Methyl (S)-7chloro-2,5-dihydro-2-(((methoxycarbonyl)(4-(trifluoromethoxy)phenyl)amino)carbonylindeno(1,2-e)(1,3,4)oxadiazine-4a(3H)-carboxylate|Parkway Mole Cricket Bait|Provaunt|S-(+)-Indoxacarb|Stewa|174060-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032690 https://doi.org/10.22427/NTP-DATA-DTXSID1032690
ERPathway2016 ERPathway2016_663 Indoxacarb 173584-44-6 DTXSID1032690 A17 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)N(C(=O)N1CO[C@]2(CC3=C(C=CC(Cl)=C3)C2=N1)C(=O)OC)C1=CC=C(OC(F)(F)F)C=C1 Indoxacarb 173584-44-6|Indoxacarb|(S)-Indoxacarb|605-683-4|Advion fire ant bait|DPX-KN128|DPX-MP 062-381|DPX-MP 062-382|DPX-MP 062-385|DPX-MP 062-390|DPX-MP 062-391|DPX-MP 062-400|DPX-MP062|EC No.: 605-683-4|Explicit|Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (4aS)-|Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (S)-|Indoxacarb MP|Methyl (4aS)-7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4- (trifluoromethoxy)phenyl]amino]carbonyl]indeno[1,2- e][1,3,4]oxadiazine-4a(3H)-carboxylate. (S)-methyl 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4- (trifluoromethoxy)phenyl]amino]carbonyl]=indeno[1,2- e][1,3,4]oxadiazine-4a(3H)-carboxylate|Methyl (S)-7chloro-2,5-dihydro-2-(((methoxycarbonyl)(4-(trifluoromethoxy)phenyl)amino)carbonylindeno(1,2-e)(1,3,4)oxadiazine-4a(3H)-carboxylate|Parkway Mole Cricket Bait|Provaunt|S-(+)-Indoxacarb|Stewa|174060-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032690 https://doi.org/10.22427/NTP-DATA-DTXSID1032690
ERPathway2016 ERPathway2016_663 Indoxacarb 173584-44-6 DTXSID1032690 A17 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)N(C(=O)N1CO[C@]2(CC3=C(C=CC(Cl)=C3)C2=N1)C(=O)OC)C1=CC=C(OC(F)(F)F)C=C1 Indoxacarb 173584-44-6|Indoxacarb|(S)-Indoxacarb|605-683-4|Advion fire ant bait|DPX-KN128|DPX-MP 062-381|DPX-MP 062-382|DPX-MP 062-385|DPX-MP 062-390|DPX-MP 062-391|DPX-MP 062-400|DPX-MP062|EC No.: 605-683-4|Explicit|Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (4aS)-|Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (S)-|Indoxacarb MP|Methyl (4aS)-7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4- (trifluoromethoxy)phenyl]amino]carbonyl]indeno[1,2- e][1,3,4]oxadiazine-4a(3H)-carboxylate. (S)-methyl 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4- (trifluoromethoxy)phenyl]amino]carbonyl]=indeno[1,2- e][1,3,4]oxadiazine-4a(3H)-carboxylate|Methyl (S)-7chloro-2,5-dihydro-2-(((methoxycarbonyl)(4-(trifluoromethoxy)phenyl)amino)carbonylindeno(1,2-e)(1,3,4)oxadiazine-4a(3H)-carboxylate|Parkway Mole Cricket Bait|Provaunt|S-(+)-Indoxacarb|Stewa|174060-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032690 https://doi.org/10.22427/NTP-DATA-DTXSID1032690
ERPathway2016 ERPathway2016_663 Indoxacarb 173584-44-6 DTXSID1032690 A17 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)N(C(=O)N1CO[C@]2(CC3=C(C=CC(Cl)=C3)C2=N1)C(=O)OC)C1=CC=C(OC(F)(F)F)C=C1 Indoxacarb 173584-44-6|Indoxacarb|(S)-Indoxacarb|605-683-4|Advion fire ant bait|DPX-KN128|DPX-MP 062-381|DPX-MP 062-382|DPX-MP 062-385|DPX-MP 062-390|DPX-MP 062-391|DPX-MP 062-400|DPX-MP062|EC No.: 605-683-4|Explicit|Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (4aS)-|Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (S)-|Indoxacarb MP|Methyl (4aS)-7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4- (trifluoromethoxy)phenyl]amino]carbonyl]indeno[1,2- e][1,3,4]oxadiazine-4a(3H)-carboxylate. (S)-methyl 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4- (trifluoromethoxy)phenyl]amino]carbonyl]=indeno[1,2- e][1,3,4]oxadiazine-4a(3H)-carboxylate|Methyl (S)-7chloro-2,5-dihydro-2-(((methoxycarbonyl)(4-(trifluoromethoxy)phenyl)amino)carbonylindeno(1,2-e)(1,3,4)oxadiazine-4a(3H)-carboxylate|Parkway Mole Cricket Bait|Provaunt|S-(+)-Indoxacarb|Stewa|174060-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032690 https://doi.org/10.22427/NTP-DATA-DTXSID1032690
ERPathway2016 ERPathway2016_663 Indoxacarb 173584-44-6 DTXSID1032690 A17 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)N(C(=O)N1CO[C@]2(CC3=C(C=CC(Cl)=C3)C2=N1)C(=O)OC)C1=CC=C(OC(F)(F)F)C=C1 Indoxacarb 173584-44-6|Indoxacarb|(S)-Indoxacarb|605-683-4|Advion fire ant bait|DPX-KN128|DPX-MP 062-381|DPX-MP 062-382|DPX-MP 062-385|DPX-MP 062-390|DPX-MP 062-391|DPX-MP 062-400|DPX-MP062|EC No.: 605-683-4|Explicit|Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (4aS)-|Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (S)-|Indoxacarb MP|Methyl (4aS)-7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4- (trifluoromethoxy)phenyl]amino]carbonyl]indeno[1,2- e][1,3,4]oxadiazine-4a(3H)-carboxylate. (S)-methyl 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4- (trifluoromethoxy)phenyl]amino]carbonyl]=indeno[1,2- e][1,3,4]oxadiazine-4a(3H)-carboxylate|Methyl (S)-7chloro-2,5-dihydro-2-(((methoxycarbonyl)(4-(trifluoromethoxy)phenyl)amino)carbonylindeno(1,2-e)(1,3,4)oxadiazine-4a(3H)-carboxylate|Parkway Mole Cricket Bait|Provaunt|S-(+)-Indoxacarb|Stewa|174060-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032690 https://doi.org/10.22427/NTP-DATA-DTXSID1032690
ARPathway2016 ARPathway2016_95 Ingliforib 186392-65-4 DTXSID4047252 1.0 A10 AR Pathway Model, Agonist AC50 48.7492875362689 uM O[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C1=CC2=CC(Cl)=CC=C2N1)C(=O)N1C[C@H](O)[C@H](O)C1 Ingliforib 186392-65-4|Ingliforib|CP-368296|UNII-UII7156WLU https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047252
ARPathway2016 ARPathway2016_95 Ingliforib 186392-65-4 DTXSID4047252 1.0 A10 AR Pathway Model, Agonist ACC 45.1077966519198 uM O[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C1=CC2=CC(Cl)=CC=C2N1)C(=O)N1C[C@H](O)[C@H](O)C1 Ingliforib 186392-65-4|Ingliforib|CP-368296|UNII-UII7156WLU https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047252
ARPathway2016 ARPathway2016_95 Ingliforib 186392-65-4 DTXSID4047252 1.0 A10 AR Pathway Model, Antagonist Model Score 0.0177 Unitless O[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C1=CC2=CC(Cl)=CC=C2N1)C(=O)N1C[C@H](O)[C@H](O)C1 Ingliforib 186392-65-4|Ingliforib|CP-368296|UNII-UII7156WLU https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047252
ARPathway2016 ARPathway2016_95 Ingliforib 186392-65-4 DTXSID4047252 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless O[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C1=CC2=CC(Cl)=CC=C2N1)C(=O)N1C[C@H](O)[C@H](O)C1 Ingliforib 186392-65-4|Ingliforib|CP-368296|UNII-UII7156WLU https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047252
ARPathway2016 ARPathway2016_95 Ingliforib 186392-65-4 DTXSID4047252 1.0 A10 AR Pathway Model, Agonist Call Active Unitless O[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C1=CC2=CC(Cl)=CC=C2N1)C(=O)N1C[C@H](O)[C@H](O)C1 Ingliforib 186392-65-4|Ingliforib|CP-368296|UNII-UII7156WLU https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047252
ARPathway2016 ARPathway2016_95 Ingliforib 186392-65-4 DTXSID4047252 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless O[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C1=CC2=CC(Cl)=CC=C2N1)C(=O)N1C[C@H](O)[C@H](O)C1 Ingliforib 186392-65-4|Ingliforib|CP-368296|UNII-UII7156WLU https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047252
ERPathway2016 ERPathway2016_688 Ingliforib 186392-65-4 DTXSID4047252 ER Pathway Model, Agonist Model Score 0 Unitless O[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C1=CC2=CC(Cl)=CC=C2N1)C(=O)N1C[C@H](O)[C@H](O)C1 Ingliforib 186392-65-4|Ingliforib|CP-368296|UNII-UII7156WLU https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047252
ERPathway2016 ERPathway2016_688 Ingliforib 186392-65-4 DTXSID4047252 ER Pathway Model, Antagonist Model Score 0 Unitless O[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C1=CC2=CC(Cl)=CC=C2N1)C(=O)N1C[C@H](O)[C@H](O)C1 Ingliforib 186392-65-4|Ingliforib|CP-368296|UNII-UII7156WLU https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047252
ERPathway2016 ERPathway2016_688 Ingliforib 186392-65-4 DTXSID4047252 ER Pathway Model, Agonist Call Inactive Unitless O[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C1=CC2=CC(Cl)=CC=C2N1)C(=O)N1C[C@H](O)[C@H](O)C1 Ingliforib 186392-65-4|Ingliforib|CP-368296|UNII-UII7156WLU https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047252
ERPathway2016 ERPathway2016_688 Ingliforib 186392-65-4 DTXSID4047252 ER Pathway Model, Antagonist Call Inactive Unitless O[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C1=CC2=CC(Cl)=CC=C2N1)C(=O)N1C[C@H](O)[C@H](O)C1 Ingliforib 186392-65-4|Ingliforib|CP-368296|UNII-UII7156WLU https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047252
ARPathway2016 ARPathway2016_858 Iodosulfuron methyl ester sodium salt 144550-36-7 DTXSID2034673 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].COC(=O)C1=C(C=C(I)C=C1)S(=O)(=O)[N-]C(=O)NC1=NC(OC)=NC(C)=N1 Iodosulfuron methyl ester sodium salt 144550-36-7|Iodosulfuron methyl ester sodium salt|AE-F 115008-00|AZ 07931|Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, monosodium salt|Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)|Destiny|Destiny (herbicide)|EC No.: 604-422-1|Iodosulfuron-methyl sodium salt|Iodosulfuron-methyl-sodium|Sodium ((5-iodo-2-(methoxycarbonyl)phenyl)sulfonyl)((4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)azanide|sodium {[5-iodo-2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034673
ARPathway2016 ARPathway2016_858 Iodosulfuron methyl ester sodium salt 144550-36-7 DTXSID2034673 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].COC(=O)C1=C(C=C(I)C=C1)S(=O)(=O)[N-]C(=O)NC1=NC(OC)=NC(C)=N1 Iodosulfuron methyl ester sodium salt 144550-36-7|Iodosulfuron methyl ester sodium salt|AE-F 115008-00|AZ 07931|Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, monosodium salt|Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)|Destiny|Destiny (herbicide)|EC No.: 604-422-1|Iodosulfuron-methyl sodium salt|Iodosulfuron-methyl-sodium|Sodium ((5-iodo-2-(methoxycarbonyl)phenyl)sulfonyl)((4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)azanide|sodium {[5-iodo-2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034673
ARPathway2016 ARPathway2016_858 Iodosulfuron methyl ester sodium salt 144550-36-7 DTXSID2034673 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].COC(=O)C1=C(C=C(I)C=C1)S(=O)(=O)[N-]C(=O)NC1=NC(OC)=NC(C)=N1 Iodosulfuron methyl ester sodium salt 144550-36-7|Iodosulfuron methyl ester sodium salt|AE-F 115008-00|AZ 07931|Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, monosodium salt|Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)|Destiny|Destiny (herbicide)|EC No.: 604-422-1|Iodosulfuron-methyl sodium salt|Iodosulfuron-methyl-sodium|Sodium ((5-iodo-2-(methoxycarbonyl)phenyl)sulfonyl)((4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)azanide|sodium {[5-iodo-2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034673
ARPathway2016 ARPathway2016_858 Iodosulfuron methyl ester sodium salt 144550-36-7 DTXSID2034673 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].COC(=O)C1=C(C=C(I)C=C1)S(=O)(=O)[N-]C(=O)NC1=NC(OC)=NC(C)=N1 Iodosulfuron methyl ester sodium salt 144550-36-7|Iodosulfuron methyl ester sodium salt|AE-F 115008-00|AZ 07931|Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, monosodium salt|Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)|Destiny|Destiny (herbicide)|EC No.: 604-422-1|Iodosulfuron-methyl sodium salt|Iodosulfuron-methyl-sodium|Sodium ((5-iodo-2-(methoxycarbonyl)phenyl)sulfonyl)((4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)azanide|sodium {[5-iodo-2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034673
ERPathway2016 ERPathway2016_1308 Iodosulfuron methyl ester sodium salt 144550-36-7 DTXSID2034673 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].COC(=O)C1=C(C=C(I)C=C1)S(=O)(=O)[N-]C(=O)NC1=NC(OC)=NC(C)=N1 Iodosulfuron methyl ester sodium salt 144550-36-7|Iodosulfuron methyl ester sodium salt|AE-F 115008-00|AZ 07931|Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, monosodium salt|Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)|Destiny|Destiny (herbicide)|EC No.: 604-422-1|Iodosulfuron-methyl sodium salt|Iodosulfuron-methyl-sodium|Sodium ((5-iodo-2-(methoxycarbonyl)phenyl)sulfonyl)((4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)azanide|sodium {[5-iodo-2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034673
ERPathway2016 ERPathway2016_1308 Iodosulfuron methyl ester sodium salt 144550-36-7 DTXSID2034673 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].COC(=O)C1=C(C=C(I)C=C1)S(=O)(=O)[N-]C(=O)NC1=NC(OC)=NC(C)=N1 Iodosulfuron methyl ester sodium salt 144550-36-7|Iodosulfuron methyl ester sodium salt|AE-F 115008-00|AZ 07931|Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, monosodium salt|Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)|Destiny|Destiny (herbicide)|EC No.: 604-422-1|Iodosulfuron-methyl sodium salt|Iodosulfuron-methyl-sodium|Sodium ((5-iodo-2-(methoxycarbonyl)phenyl)sulfonyl)((4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)azanide|sodium {[5-iodo-2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034673
ERPathway2016 ERPathway2016_1308 Iodosulfuron methyl ester sodium salt 144550-36-7 DTXSID2034673 ER Pathway Model, Agonist Call Inactive Unitless [Na+].COC(=O)C1=C(C=C(I)C=C1)S(=O)(=O)[N-]C(=O)NC1=NC(OC)=NC(C)=N1 Iodosulfuron methyl ester sodium salt 144550-36-7|Iodosulfuron methyl ester sodium salt|AE-F 115008-00|AZ 07931|Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, monosodium salt|Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)|Destiny|Destiny (herbicide)|EC No.: 604-422-1|Iodosulfuron-methyl sodium salt|Iodosulfuron-methyl-sodium|Sodium ((5-iodo-2-(methoxycarbonyl)phenyl)sulfonyl)((4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)azanide|sodium {[5-iodo-2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034673
ERPathway2016 ERPathway2016_1308 Iodosulfuron methyl ester sodium salt 144550-36-7 DTXSID2034673 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].COC(=O)C1=C(C=C(I)C=C1)S(=O)(=O)[N-]C(=O)NC1=NC(OC)=NC(C)=N1 Iodosulfuron methyl ester sodium salt 144550-36-7|Iodosulfuron methyl ester sodium salt|AE-F 115008-00|AZ 07931|Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, monosodium salt|Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)|Destiny|Destiny (herbicide)|EC No.: 604-422-1|Iodosulfuron-methyl sodium salt|Iodosulfuron-methyl-sodium|Sodium ((5-iodo-2-(methoxycarbonyl)phenyl)sulfonyl)((4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)azanide|sodium {[5-iodo-2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034673
ARPathway2016 ARPathway2016_1786 Iopanoic acid 96-83-3 DTXSID6023159 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(CC1=C(I)C=C(I)C(N)=C1I)C(O)=O Iopanoic acid 96-83-3|Iopanoic acid|2-(3-Amino-2,4,6-triiodobenzyl)butyric acid|2-Ethyl-3-(3-amino-2,4,6-triiodophenyl)propionic acid|3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodobenzenepropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic acid|Acide iopanoique|Acido iopanoico|Acidum iopanoicum|beta-(3-Amino-2,4,6-triiodophenyl)-alpha-ethylpropionic acid|Bilijodon|BRN 2220381|Choladine|Cholevid|Cistobil|Colepax|Copanoic|EINECS 202-539-9|Iodopanoic acid|Iopagnost|Iopanoicum|Jopagnost|Jopanoic acid|NSC 41706|Polognost|Telepaque|Teletrast|UNII-FE9794P71J https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023159
ARPathway2016 ARPathway2016_1786 Iopanoic acid 96-83-3 DTXSID6023159 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCC(CC1=C(I)C=C(I)C(N)=C1I)C(O)=O Iopanoic acid 96-83-3|Iopanoic acid|2-(3-Amino-2,4,6-triiodobenzyl)butyric acid|2-Ethyl-3-(3-amino-2,4,6-triiodophenyl)propionic acid|3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodobenzenepropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic acid|Acide iopanoique|Acido iopanoico|Acidum iopanoicum|beta-(3-Amino-2,4,6-triiodophenyl)-alpha-ethylpropionic acid|Bilijodon|BRN 2220381|Choladine|Cholevid|Cistobil|Colepax|Copanoic|EINECS 202-539-9|Iodopanoic acid|Iopagnost|Iopanoicum|Jopagnost|Jopanoic acid|NSC 41706|Polognost|Telepaque|Teletrast|UNII-FE9794P71J https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023159
ARPathway2016 ARPathway2016_1786 Iopanoic acid 96-83-3 DTXSID6023159 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCC(CC1=C(I)C=C(I)C(N)=C1I)C(O)=O Iopanoic acid 96-83-3|Iopanoic acid|2-(3-Amino-2,4,6-triiodobenzyl)butyric acid|2-Ethyl-3-(3-amino-2,4,6-triiodophenyl)propionic acid|3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodobenzenepropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic acid|Acide iopanoique|Acido iopanoico|Acidum iopanoicum|beta-(3-Amino-2,4,6-triiodophenyl)-alpha-ethylpropionic acid|Bilijodon|BRN 2220381|Choladine|Cholevid|Cistobil|Colepax|Copanoic|EINECS 202-539-9|Iodopanoic acid|Iopagnost|Iopanoicum|Jopagnost|Jopanoic acid|NSC 41706|Polognost|Telepaque|Teletrast|UNII-FE9794P71J https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023159
ARPathway2016 ARPathway2016_1786 Iopanoic acid 96-83-3 DTXSID6023159 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCC(CC1=C(I)C=C(I)C(N)=C1I)C(O)=O Iopanoic acid 96-83-3|Iopanoic acid|2-(3-Amino-2,4,6-triiodobenzyl)butyric acid|2-Ethyl-3-(3-amino-2,4,6-triiodophenyl)propionic acid|3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodobenzenepropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic acid|Acide iopanoique|Acido iopanoico|Acidum iopanoicum|beta-(3-Amino-2,4,6-triiodophenyl)-alpha-ethylpropionic acid|Bilijodon|BRN 2220381|Choladine|Cholevid|Cistobil|Colepax|Copanoic|EINECS 202-539-9|Iodopanoic acid|Iopagnost|Iopanoicum|Jopagnost|Jopanoic acid|NSC 41706|Polognost|Telepaque|Teletrast|UNII-FE9794P71J https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023159
ERPathway2016 ERPathway2016_283 Iopanoic acid 96-83-3 DTXSID6023159 ER Pathway Model, Antagonist AC50 30.2693385187368 uM CCC(CC1=C(I)C=C(I)C(N)=C1I)C(O)=O Iopanoic acid 96-83-3|Iopanoic acid|2-(3-Amino-2,4,6-triiodobenzyl)butyric acid|2-Ethyl-3-(3-amino-2,4,6-triiodophenyl)propionic acid|3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodobenzenepropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic acid|Acide iopanoique|Acido iopanoico|Acidum iopanoicum|beta-(3-Amino-2,4,6-triiodophenyl)-alpha-ethylpropionic acid|Bilijodon|BRN 2220381|Choladine|Cholevid|Cistobil|Colepax|Copanoic|EINECS 202-539-9|Iodopanoic acid|Iopagnost|Iopanoicum|Jopagnost|Jopanoic acid|NSC 41706|Polognost|Telepaque|Teletrast|UNII-FE9794P71J https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023159
ERPathway2016 ERPathway2016_283 Iopanoic acid 96-83-3 DTXSID6023159 ER Pathway Model, Antagonist ACC 17.9996869626062 uM CCC(CC1=C(I)C=C(I)C(N)=C1I)C(O)=O Iopanoic acid 96-83-3|Iopanoic acid|2-(3-Amino-2,4,6-triiodobenzyl)butyric acid|2-Ethyl-3-(3-amino-2,4,6-triiodophenyl)propionic acid|3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodobenzenepropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic acid|Acide iopanoique|Acido iopanoico|Acidum iopanoicum|beta-(3-Amino-2,4,6-triiodophenyl)-alpha-ethylpropionic acid|Bilijodon|BRN 2220381|Choladine|Cholevid|Cistobil|Colepax|Copanoic|EINECS 202-539-9|Iodopanoic acid|Iopagnost|Iopanoicum|Jopagnost|Jopanoic acid|NSC 41706|Polognost|Telepaque|Teletrast|UNII-FE9794P71J https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023159
ERPathway2016 ERPathway2016_283 Iopanoic acid 96-83-3 DTXSID6023159 ER Pathway Model, Agonist Model Score 0.0454 Unitless CCC(CC1=C(I)C=C(I)C(N)=C1I)C(O)=O Iopanoic acid 96-83-3|Iopanoic acid|2-(3-Amino-2,4,6-triiodobenzyl)butyric acid|2-Ethyl-3-(3-amino-2,4,6-triiodophenyl)propionic acid|3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodobenzenepropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic acid|Acide iopanoique|Acido iopanoico|Acidum iopanoicum|beta-(3-Amino-2,4,6-triiodophenyl)-alpha-ethylpropionic acid|Bilijodon|BRN 2220381|Choladine|Cholevid|Cistobil|Colepax|Copanoic|EINECS 202-539-9|Iodopanoic acid|Iopagnost|Iopanoicum|Jopagnost|Jopanoic acid|NSC 41706|Polognost|Telepaque|Teletrast|UNII-FE9794P71J https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023159
ERPathway2016 ERPathway2016_283 Iopanoic acid 96-83-3 DTXSID6023159 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(CC1=C(I)C=C(I)C(N)=C1I)C(O)=O Iopanoic acid 96-83-3|Iopanoic acid|2-(3-Amino-2,4,6-triiodobenzyl)butyric acid|2-Ethyl-3-(3-amino-2,4,6-triiodophenyl)propionic acid|3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodobenzenepropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic acid|Acide iopanoique|Acido iopanoico|Acidum iopanoicum|beta-(3-Amino-2,4,6-triiodophenyl)-alpha-ethylpropionic acid|Bilijodon|BRN 2220381|Choladine|Cholevid|Cistobil|Colepax|Copanoic|EINECS 202-539-9|Iodopanoic acid|Iopagnost|Iopanoicum|Jopagnost|Jopanoic acid|NSC 41706|Polognost|Telepaque|Teletrast|UNII-FE9794P71J https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023159
ERPathway2016 ERPathway2016_283 Iopanoic acid 96-83-3 DTXSID6023159 ER Pathway Model, Agonist Call Inactive Unitless CCC(CC1=C(I)C=C(I)C(N)=C1I)C(O)=O Iopanoic acid 96-83-3|Iopanoic acid|2-(3-Amino-2,4,6-triiodobenzyl)butyric acid|2-Ethyl-3-(3-amino-2,4,6-triiodophenyl)propionic acid|3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodobenzenepropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic acid|Acide iopanoique|Acido iopanoico|Acidum iopanoicum|beta-(3-Amino-2,4,6-triiodophenyl)-alpha-ethylpropionic acid|Bilijodon|BRN 2220381|Choladine|Cholevid|Cistobil|Colepax|Copanoic|EINECS 202-539-9|Iodopanoic acid|Iopagnost|Iopanoicum|Jopagnost|Jopanoic acid|NSC 41706|Polognost|Telepaque|Teletrast|UNII-FE9794P71J https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023159
ERPathway2016 ERPathway2016_283 Iopanoic acid 96-83-3 DTXSID6023159 ER Pathway Model, Antagonist Call Active Unitless CCC(CC1=C(I)C=C(I)C(N)=C1I)C(O)=O Iopanoic acid 96-83-3|Iopanoic acid|2-(3-Amino-2,4,6-triiodobenzyl)butyric acid|2-Ethyl-3-(3-amino-2,4,6-triiodophenyl)propionic acid|3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodobenzenepropanoic acid|3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic acid|Acide iopanoique|Acido iopanoico|Acidum iopanoicum|beta-(3-Amino-2,4,6-triiodophenyl)-alpha-ethylpropionic acid|Bilijodon|BRN 2220381|Choladine|Cholevid|Cistobil|Colepax|Copanoic|EINECS 202-539-9|Iodopanoic acid|Iopagnost|Iopanoicum|Jopagnost|Jopanoic acid|NSC 41706|Polognost|Telepaque|Teletrast|UNII-FE9794P71J https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023159
ARPathway2016 ARPathway2016_45 Ipconazole 125225-28-7 DTXSID7034674 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 22.23929676 uM CC(C)C1CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Ipconazole 125225-28-7|Ipconazole|2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|603-038-1|Cyclopentanol, 2- [(4- chlorophenyl) methyl] - 5- (1- methylethyl) - 1- (1H- 1, 2, 4- triazol- 1- ylmethyl) -|EC No.: 603-038-1|Rancona|Vortex|Vortex (fungicide)|Vortex FL|1135441-11-0|149202-33-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034674
ARPathway2016 ARPathway2016_45 Ipconazole 125225-28-7 DTXSID7034674 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 20.50774006 uM CC(C)C1CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Ipconazole 125225-28-7|Ipconazole|2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|603-038-1|Cyclopentanol, 2- [(4- chlorophenyl) methyl] - 5- (1- methylethyl) - 1- (1H- 1, 2, 4- triazol- 1- ylmethyl) -|EC No.: 603-038-1|Rancona|Vortex|Vortex (fungicide)|Vortex FL|1135441-11-0|149202-33-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034674
ARPathway2016 ARPathway2016_45 Ipconazole 125225-28-7 DTXSID7034674 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.27 Unitless CC(C)C1CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Ipconazole 125225-28-7|Ipconazole|2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|603-038-1|Cyclopentanol, 2- [(4- chlorophenyl) methyl] - 5- (1- methylethyl) - 1- (1H- 1, 2, 4- triazol- 1- ylmethyl) -|EC No.: 603-038-1|Rancona|Vortex|Vortex (fungicide)|Vortex FL|1135441-11-0|149202-33-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034674
ARPathway2016 ARPathway2016_45 Ipconazole 125225-28-7 DTXSID7034674 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Ipconazole 125225-28-7|Ipconazole|2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|603-038-1|Cyclopentanol, 2- [(4- chlorophenyl) methyl] - 5- (1- methylethyl) - 1- (1H- 1, 2, 4- triazol- 1- ylmethyl) -|EC No.: 603-038-1|Rancona|Vortex|Vortex (fungicide)|Vortex FL|1135441-11-0|149202-33-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034674
ARPathway2016 ARPathway2016_45 Ipconazole 125225-28-7 DTXSID7034674 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)C1CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Ipconazole 125225-28-7|Ipconazole|2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|603-038-1|Cyclopentanol, 2- [(4- chlorophenyl) methyl] - 5- (1- methylethyl) - 1- (1H- 1, 2, 4- triazol- 1- ylmethyl) -|EC No.: 603-038-1|Rancona|Vortex|Vortex (fungicide)|Vortex FL|1135441-11-0|149202-33-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034674
ARPathway2016 ARPathway2016_45 Ipconazole 125225-28-7 DTXSID7034674 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Ipconazole 125225-28-7|Ipconazole|2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|603-038-1|Cyclopentanol, 2- [(4- chlorophenyl) methyl] - 5- (1- methylethyl) - 1- (1H- 1, 2, 4- triazol- 1- ylmethyl) -|EC No.: 603-038-1|Rancona|Vortex|Vortex (fungicide)|Vortex FL|1135441-11-0|149202-33-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034674
ERPathway2016 ERPathway2016_102 Ipconazole 125225-28-7 DTXSID7034674 A13 ER Pathway Model, Agonist AC50 6.87143652800984 uM CC(C)C1CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Ipconazole 125225-28-7|Ipconazole|2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|603-038-1|Cyclopentanol, 2- [(4- chlorophenyl) methyl] - 5- (1- methylethyl) - 1- (1H- 1, 2, 4- triazol- 1- ylmethyl) -|EC No.: 603-038-1|Rancona|Vortex|Vortex (fungicide)|Vortex FL|1135441-11-0|149202-33-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034674
ERPathway2016 ERPathway2016_102 Ipconazole 125225-28-7 DTXSID7034674 A13 ER Pathway Model, Agonist ACC 10.9671887679073 uM CC(C)C1CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Ipconazole 125225-28-7|Ipconazole|2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|603-038-1|Cyclopentanol, 2- [(4- chlorophenyl) methyl] - 5- (1- methylethyl) - 1- (1H- 1, 2, 4- triazol- 1- ylmethyl) -|EC No.: 603-038-1|Rancona|Vortex|Vortex (fungicide)|Vortex FL|1135441-11-0|149202-33-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034674
ERPathway2016 ERPathway2016_102 Ipconazole 125225-28-7 DTXSID7034674 A13 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)C1CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Ipconazole 125225-28-7|Ipconazole|2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|603-038-1|Cyclopentanol, 2- [(4- chlorophenyl) methyl] - 5- (1- methylethyl) - 1- (1H- 1, 2, 4- triazol- 1- ylmethyl) -|EC No.: 603-038-1|Rancona|Vortex|Vortex (fungicide)|Vortex FL|1135441-11-0|149202-33-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034674
ERPathway2016 ERPathway2016_102 Ipconazole 125225-28-7 DTXSID7034674 A13 ER Pathway Model, Antagonist Model Score 0.0166 Unitless CC(C)C1CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Ipconazole 125225-28-7|Ipconazole|2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|603-038-1|Cyclopentanol, 2- [(4- chlorophenyl) methyl] - 5- (1- methylethyl) - 1- (1H- 1, 2, 4- triazol- 1- ylmethyl) -|EC No.: 603-038-1|Rancona|Vortex|Vortex (fungicide)|Vortex FL|1135441-11-0|149202-33-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034674
ERPathway2016 ERPathway2016_102 Ipconazole 125225-28-7 DTXSID7034674 A13 ER Pathway Model, Agonist Call Active Unitless CC(C)C1CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Ipconazole 125225-28-7|Ipconazole|2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|603-038-1|Cyclopentanol, 2- [(4- chlorophenyl) methyl] - 5- (1- methylethyl) - 1- (1H- 1, 2, 4- triazol- 1- ylmethyl) -|EC No.: 603-038-1|Rancona|Vortex|Vortex (fungicide)|Vortex FL|1135441-11-0|149202-33-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034674
ERPathway2016 ERPathway2016_102 Ipconazole 125225-28-7 DTXSID7034674 A13 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)C1CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Ipconazole 125225-28-7|Ipconazole|2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|603-038-1|Cyclopentanol, 2- [(4- chlorophenyl) methyl] - 5- (1- methylethyl) - 1- (1H- 1, 2, 4- triazol- 1- ylmethyl) -|EC No.: 603-038-1|Rancona|Vortex|Vortex (fungicide)|Vortex FL|1135441-11-0|149202-33-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034674
ARPathway2016 ARPathway2016_1173 Iprodione 36734-19-7 DTXSID3024154 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)NC(=O)N1CC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1 Iprodione 36734-19-7|Iprodione|'Rovral' HN|1-Imidazolidinecarboxamide, 3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-|1-Isopropyl carbamoyl-3-(3,5-dichlorophenyl)-hydantoin|253-178-9|3-(3,5-dichlorophenyl)-1-(1-methylethyl)carbamoylhydantoin|3-(3,5-dichlorophenyl)-2,4-dioxo-N-isopropylimidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide|3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxoimidazolidine-1-carboxamide|3-(3,5-Dichlorophenyl)-N-isopropyl-2,4-dioxo-1-imidazolidinecarboximide|3-(3,5-Dichlorophenyl)-N-isopropyl-2,4-dioxoimidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)hydantoin-1-carboxylic acid isopropylamide|3-(3,5-Dichlorphenyl)-2,4-dioxo-N-isopropylimidazolidin-1-carboxamid|3-(3,5-diclorofenil)-2,4-dioxo-N-isopropilimidazolidina-1-carboxamida|5-24-05-00201|BRN 0895003|Caswell No. 470A|Chipco 26019|EC No.: 253-178-9|EINECS 253-178-9|EPA Pesticide Chemical Code 109801|Glycophen|Glycophene|Iprodial|IPRODION|Promidione|Quintalic|Rovral|Rovral 50WP|Rovral Flo|Rovral Green GT||61840-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024154
ARPathway2016 ARPathway2016_1173 Iprodione 36734-19-7 DTXSID3024154 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)NC(=O)N1CC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1 Iprodione 36734-19-7|Iprodione|'Rovral' HN|1-Imidazolidinecarboxamide, 3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-|1-Isopropyl carbamoyl-3-(3,5-dichlorophenyl)-hydantoin|253-178-9|3-(3,5-dichlorophenyl)-1-(1-methylethyl)carbamoylhydantoin|3-(3,5-dichlorophenyl)-2,4-dioxo-N-isopropylimidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide|3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxoimidazolidine-1-carboxamide|3-(3,5-Dichlorophenyl)-N-isopropyl-2,4-dioxo-1-imidazolidinecarboximide|3-(3,5-Dichlorophenyl)-N-isopropyl-2,4-dioxoimidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)hydantoin-1-carboxylic acid isopropylamide|3-(3,5-Dichlorphenyl)-2,4-dioxo-N-isopropylimidazolidin-1-carboxamid|3-(3,5-diclorofenil)-2,4-dioxo-N-isopropilimidazolidina-1-carboxamida|5-24-05-00201|BRN 0895003|Caswell No. 470A|Chipco 26019|EC No.: 253-178-9|EINECS 253-178-9|EPA Pesticide Chemical Code 109801|Glycophen|Glycophene|Iprodial|IPRODION|Promidione|Quintalic|Rovral|Rovral 50WP|Rovral Flo|Rovral Green GT||61840-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024154
ARPathway2016 ARPathway2016_1173 Iprodione 36734-19-7 DTXSID3024154 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)NC(=O)N1CC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1 Iprodione 36734-19-7|Iprodione|'Rovral' HN|1-Imidazolidinecarboxamide, 3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-|1-Isopropyl carbamoyl-3-(3,5-dichlorophenyl)-hydantoin|253-178-9|3-(3,5-dichlorophenyl)-1-(1-methylethyl)carbamoylhydantoin|3-(3,5-dichlorophenyl)-2,4-dioxo-N-isopropylimidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide|3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxoimidazolidine-1-carboxamide|3-(3,5-Dichlorophenyl)-N-isopropyl-2,4-dioxo-1-imidazolidinecarboximide|3-(3,5-Dichlorophenyl)-N-isopropyl-2,4-dioxoimidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)hydantoin-1-carboxylic acid isopropylamide|3-(3,5-Dichlorphenyl)-2,4-dioxo-N-isopropylimidazolidin-1-carboxamid|3-(3,5-diclorofenil)-2,4-dioxo-N-isopropilimidazolidina-1-carboxamida|5-24-05-00201|BRN 0895003|Caswell No. 470A|Chipco 26019|EC No.: 253-178-9|EINECS 253-178-9|EPA Pesticide Chemical Code 109801|Glycophen|Glycophene|Iprodial|IPRODION|Promidione|Quintalic|Rovral|Rovral 50WP|Rovral Flo|Rovral Green GT||61840-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024154
ARPathway2016 ARPathway2016_1173 Iprodione 36734-19-7 DTXSID3024154 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)NC(=O)N1CC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1 Iprodione 36734-19-7|Iprodione|'Rovral' HN|1-Imidazolidinecarboxamide, 3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-|1-Isopropyl carbamoyl-3-(3,5-dichlorophenyl)-hydantoin|253-178-9|3-(3,5-dichlorophenyl)-1-(1-methylethyl)carbamoylhydantoin|3-(3,5-dichlorophenyl)-2,4-dioxo-N-isopropylimidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide|3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxoimidazolidine-1-carboxamide|3-(3,5-Dichlorophenyl)-N-isopropyl-2,4-dioxo-1-imidazolidinecarboximide|3-(3,5-Dichlorophenyl)-N-isopropyl-2,4-dioxoimidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)hydantoin-1-carboxylic acid isopropylamide|3-(3,5-Dichlorphenyl)-2,4-dioxo-N-isopropylimidazolidin-1-carboxamid|3-(3,5-diclorofenil)-2,4-dioxo-N-isopropilimidazolidina-1-carboxamida|5-24-05-00201|BRN 0895003|Caswell No. 470A|Chipco 26019|EC No.: 253-178-9|EINECS 253-178-9|EPA Pesticide Chemical Code 109801|Glycophen|Glycophene|Iprodial|IPRODION|Promidione|Quintalic|Rovral|Rovral 50WP|Rovral Flo|Rovral Green GT||61840-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024154
ERPathway2016 ERPathway2016_783 Iprodione 36734-19-7 DTXSID3024154 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)NC(=O)N1CC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1 Iprodione 36734-19-7|Iprodione|'Rovral' HN|1-Imidazolidinecarboxamide, 3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-|1-Isopropyl carbamoyl-3-(3,5-dichlorophenyl)-hydantoin|253-178-9|3-(3,5-dichlorophenyl)-1-(1-methylethyl)carbamoylhydantoin|3-(3,5-dichlorophenyl)-2,4-dioxo-N-isopropylimidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide|3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxoimidazolidine-1-carboxamide|3-(3,5-Dichlorophenyl)-N-isopropyl-2,4-dioxo-1-imidazolidinecarboximide|3-(3,5-Dichlorophenyl)-N-isopropyl-2,4-dioxoimidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)hydantoin-1-carboxylic acid isopropylamide|3-(3,5-Dichlorphenyl)-2,4-dioxo-N-isopropylimidazolidin-1-carboxamid|3-(3,5-diclorofenil)-2,4-dioxo-N-isopropilimidazolidina-1-carboxamida|5-24-05-00201|BRN 0895003|Caswell No. 470A|Chipco 26019|EC No.: 253-178-9|EINECS 253-178-9|EPA Pesticide Chemical Code 109801|Glycophen|Glycophene|Iprodial|IPRODION|Promidione|Quintalic|Rovral|Rovral 50WP|Rovral Flo|Rovral Green GT||61840-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024154
ERPathway2016 ERPathway2016_783 Iprodione 36734-19-7 DTXSID3024154 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)NC(=O)N1CC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1 Iprodione 36734-19-7|Iprodione|'Rovral' HN|1-Imidazolidinecarboxamide, 3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-|1-Isopropyl carbamoyl-3-(3,5-dichlorophenyl)-hydantoin|253-178-9|3-(3,5-dichlorophenyl)-1-(1-methylethyl)carbamoylhydantoin|3-(3,5-dichlorophenyl)-2,4-dioxo-N-isopropylimidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide|3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxoimidazolidine-1-carboxamide|3-(3,5-Dichlorophenyl)-N-isopropyl-2,4-dioxo-1-imidazolidinecarboximide|3-(3,5-Dichlorophenyl)-N-isopropyl-2,4-dioxoimidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)hydantoin-1-carboxylic acid isopropylamide|3-(3,5-Dichlorphenyl)-2,4-dioxo-N-isopropylimidazolidin-1-carboxamid|3-(3,5-diclorofenil)-2,4-dioxo-N-isopropilimidazolidina-1-carboxamida|5-24-05-00201|BRN 0895003|Caswell No. 470A|Chipco 26019|EC No.: 253-178-9|EINECS 253-178-9|EPA Pesticide Chemical Code 109801|Glycophen|Glycophene|Iprodial|IPRODION|Promidione|Quintalic|Rovral|Rovral 50WP|Rovral Flo|Rovral Green GT||61840-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024154
ERPathway2016 ERPathway2016_783 Iprodione 36734-19-7 DTXSID3024154 ER Pathway Model, Agonist Call Inactive Unitless CC(C)NC(=O)N1CC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1 Iprodione 36734-19-7|Iprodione|'Rovral' HN|1-Imidazolidinecarboxamide, 3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-|1-Isopropyl carbamoyl-3-(3,5-dichlorophenyl)-hydantoin|253-178-9|3-(3,5-dichlorophenyl)-1-(1-methylethyl)carbamoylhydantoin|3-(3,5-dichlorophenyl)-2,4-dioxo-N-isopropylimidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide|3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxoimidazolidine-1-carboxamide|3-(3,5-Dichlorophenyl)-N-isopropyl-2,4-dioxo-1-imidazolidinecarboximide|3-(3,5-Dichlorophenyl)-N-isopropyl-2,4-dioxoimidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)hydantoin-1-carboxylic acid isopropylamide|3-(3,5-Dichlorphenyl)-2,4-dioxo-N-isopropylimidazolidin-1-carboxamid|3-(3,5-diclorofenil)-2,4-dioxo-N-isopropilimidazolidina-1-carboxamida|5-24-05-00201|BRN 0895003|Caswell No. 470A|Chipco 26019|EC No.: 253-178-9|EINECS 253-178-9|EPA Pesticide Chemical Code 109801|Glycophen|Glycophene|Iprodial|IPRODION|Promidione|Quintalic|Rovral|Rovral 50WP|Rovral Flo|Rovral Green GT||61840-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024154
ERPathway2016 ERPathway2016_783 Iprodione 36734-19-7 DTXSID3024154 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)NC(=O)N1CC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1 Iprodione 36734-19-7|Iprodione|'Rovral' HN|1-Imidazolidinecarboxamide, 3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-|1-Isopropyl carbamoyl-3-(3,5-dichlorophenyl)-hydantoin|253-178-9|3-(3,5-dichlorophenyl)-1-(1-methylethyl)carbamoylhydantoin|3-(3,5-dichlorophenyl)-2,4-dioxo-N-isopropylimidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide|3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxoimidazolidine-1-carboxamide|3-(3,5-Dichlorophenyl)-N-isopropyl-2,4-dioxo-1-imidazolidinecarboximide|3-(3,5-Dichlorophenyl)-N-isopropyl-2,4-dioxoimidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)hydantoin-1-carboxylic acid isopropylamide|3-(3,5-Dichlorphenyl)-2,4-dioxo-N-isopropylimidazolidin-1-carboxamid|3-(3,5-diclorofenil)-2,4-dioxo-N-isopropilimidazolidina-1-carboxamida|5-24-05-00201|BRN 0895003|Caswell No. 470A|Chipco 26019|EC No.: 253-178-9|EINECS 253-178-9|EPA Pesticide Chemical Code 109801|Glycophen|Glycophene|Iprodial|IPRODION|Promidione|Quintalic|Rovral|Rovral 50WP|Rovral Flo|Rovral Green GT||61840-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024154
ARPathway2016 ARPathway2016_1466 Irganox 1010 6683-19-8 DTXSID1027633 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC(CCC(=O)OCC(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C Irganox 1010 6683-19-8|Irganox 1010|3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|ADK Stab AO 60|Antioxidant 1010|Arenox A 10|Benzenepropanoic acid, 3,5-bis(1,1- dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3- [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- 1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxypropoxy]methyl]-1,3-propanediyl ester|BRN 2035465|Carbyltetramethylene tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)|Chinox 1010|Cyanox 2110|Dovernox 10|EINECS 229-722-6|Hostanox O 10|Hydrocinna|103843-13-6|1209496-25-2|1234384-04-3|12634-41-2|127337-64-8|131611-06-8|132503-83-4|137500-49-3|1427306-01-1|145526-73-4|154508-64-2|156511-60-3|1801141-34-3|2042682-13-1|245440-68-0|502635-12-3|5106-16-1|60005-82-5|67894-72-8|678997-54-1|68882-58-6|702667-02-5|70695-00-0|913283-07-5|937248-86-7|98584-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027633
ARPathway2016 ARPathway2016_1466 Irganox 1010 6683-19-8 DTXSID1027633 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC(CCC(=O)OCC(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C Irganox 1010 6683-19-8|Irganox 1010|3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|ADK Stab AO 60|Antioxidant 1010|Arenox A 10|Benzenepropanoic acid, 3,5-bis(1,1- dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3- [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- 1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxypropoxy]methyl]-1,3-propanediyl ester|BRN 2035465|Carbyltetramethylene tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)|Chinox 1010|Cyanox 2110|Dovernox 10|EINECS 229-722-6|Hostanox O 10|Hydrocinna|103843-13-6|1209496-25-2|1234384-04-3|12634-41-2|127337-64-8|131611-06-8|132503-83-4|137500-49-3|1427306-01-1|145526-73-4|154508-64-2|156511-60-3|1801141-34-3|2042682-13-1|245440-68-0|502635-12-3|5106-16-1|60005-82-5|67894-72-8|678997-54-1|68882-58-6|702667-02-5|70695-00-0|913283-07-5|937248-86-7|98584-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027633
ARPathway2016 ARPathway2016_1466 Irganox 1010 6683-19-8 DTXSID1027633 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC(CCC(=O)OCC(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C Irganox 1010 6683-19-8|Irganox 1010|3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|ADK Stab AO 60|Antioxidant 1010|Arenox A 10|Benzenepropanoic acid, 3,5-bis(1,1- dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3- [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- 1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxypropoxy]methyl]-1,3-propanediyl ester|BRN 2035465|Carbyltetramethylene tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)|Chinox 1010|Cyanox 2110|Dovernox 10|EINECS 229-722-6|Hostanox O 10|Hydrocinna|103843-13-6|1209496-25-2|1234384-04-3|12634-41-2|127337-64-8|131611-06-8|132503-83-4|137500-49-3|1427306-01-1|145526-73-4|154508-64-2|156511-60-3|1801141-34-3|2042682-13-1|245440-68-0|502635-12-3|5106-16-1|60005-82-5|67894-72-8|678997-54-1|68882-58-6|702667-02-5|70695-00-0|913283-07-5|937248-86-7|98584-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027633
ARPathway2016 ARPathway2016_1466 Irganox 1010 6683-19-8 DTXSID1027633 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC(CCC(=O)OCC(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C Irganox 1010 6683-19-8|Irganox 1010|3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|ADK Stab AO 60|Antioxidant 1010|Arenox A 10|Benzenepropanoic acid, 3,5-bis(1,1- dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3- [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- 1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxypropoxy]methyl]-1,3-propanediyl ester|BRN 2035465|Carbyltetramethylene tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)|Chinox 1010|Cyanox 2110|Dovernox 10|EINECS 229-722-6|Hostanox O 10|Hydrocinna|103843-13-6|1209496-25-2|1234384-04-3|12634-41-2|127337-64-8|131611-06-8|132503-83-4|137500-49-3|1427306-01-1|145526-73-4|154508-64-2|156511-60-3|1801141-34-3|2042682-13-1|245440-68-0|502635-12-3|5106-16-1|60005-82-5|67894-72-8|678997-54-1|68882-58-6|702667-02-5|70695-00-0|913283-07-5|937248-86-7|98584-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027633
ERPathway2016 ERPathway2016_214 Irganox 1010 6683-19-8 DTXSID1027633 Agonist ER Pathway Model, Antagonist AC50 14.1556281605355 uM CC(C)(C)C1=CC(CCC(=O)OCC(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C Irganox 1010 6683-19-8|Irganox 1010|3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|ADK Stab AO 60|Antioxidant 1010|Arenox A 10|Benzenepropanoic acid, 3,5-bis(1,1- dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3- [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- 1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxypropoxy]methyl]-1,3-propanediyl ester|BRN 2035465|Carbyltetramethylene tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)|Chinox 1010|Cyanox 2110|Dovernox 10|EINECS 229-722-6|Hostanox O 10|Hydrocinna|103843-13-6|1209496-25-2|1234384-04-3|12634-41-2|127337-64-8|131611-06-8|132503-83-4|137500-49-3|1427306-01-1|145526-73-4|154508-64-2|156511-60-3|1801141-34-3|2042682-13-1|245440-68-0|502635-12-3|5106-16-1|60005-82-5|67894-72-8|678997-54-1|68882-58-6|702667-02-5|70695-00-0|913283-07-5|937248-86-7|98584-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027633
ERPathway2016 ERPathway2016_214 Irganox 1010 6683-19-8 DTXSID1027633 Agonist ER Pathway Model, Antagonist ACC 5.75859239636517 uM CC(C)(C)C1=CC(CCC(=O)OCC(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C Irganox 1010 6683-19-8|Irganox 1010|3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|ADK Stab AO 60|Antioxidant 1010|Arenox A 10|Benzenepropanoic acid, 3,5-bis(1,1- dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3- [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- 1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxypropoxy]methyl]-1,3-propanediyl ester|BRN 2035465|Carbyltetramethylene tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)|Chinox 1010|Cyanox 2110|Dovernox 10|EINECS 229-722-6|Hostanox O 10|Hydrocinna|103843-13-6|1209496-25-2|1234384-04-3|12634-41-2|127337-64-8|131611-06-8|132503-83-4|137500-49-3|1427306-01-1|145526-73-4|154508-64-2|156511-60-3|1801141-34-3|2042682-13-1|245440-68-0|502635-12-3|5106-16-1|60005-82-5|67894-72-8|678997-54-1|68882-58-6|702667-02-5|70695-00-0|913283-07-5|937248-86-7|98584-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027633
ERPathway2016 ERPathway2016_214 Irganox 1010 6683-19-8 DTXSID1027633 Agonist ER Pathway Model, Agonist Model Score 0.149 Unitless CC(C)(C)C1=CC(CCC(=O)OCC(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C Irganox 1010 6683-19-8|Irganox 1010|3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|ADK Stab AO 60|Antioxidant 1010|Arenox A 10|Benzenepropanoic acid, 3,5-bis(1,1- dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3- [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- 1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxypropoxy]methyl]-1,3-propanediyl ester|BRN 2035465|Carbyltetramethylene tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)|Chinox 1010|Cyanox 2110|Dovernox 10|EINECS 229-722-6|Hostanox O 10|Hydrocinna|103843-13-6|1209496-25-2|1234384-04-3|12634-41-2|127337-64-8|131611-06-8|132503-83-4|137500-49-3|1427306-01-1|145526-73-4|154508-64-2|156511-60-3|1801141-34-3|2042682-13-1|245440-68-0|502635-12-3|5106-16-1|60005-82-5|67894-72-8|678997-54-1|68882-58-6|702667-02-5|70695-00-0|913283-07-5|937248-86-7|98584-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027633
ERPathway2016 ERPathway2016_214 Irganox 1010 6683-19-8 DTXSID1027633 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC(CCC(=O)OCC(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C Irganox 1010 6683-19-8|Irganox 1010|3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|ADK Stab AO 60|Antioxidant 1010|Arenox A 10|Benzenepropanoic acid, 3,5-bis(1,1- dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3- [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- 1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxypropoxy]methyl]-1,3-propanediyl ester|BRN 2035465|Carbyltetramethylene tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)|Chinox 1010|Cyanox 2110|Dovernox 10|EINECS 229-722-6|Hostanox O 10|Hydrocinna|103843-13-6|1209496-25-2|1234384-04-3|12634-41-2|127337-64-8|131611-06-8|132503-83-4|137500-49-3|1427306-01-1|145526-73-4|154508-64-2|156511-60-3|1801141-34-3|2042682-13-1|245440-68-0|502635-12-3|5106-16-1|60005-82-5|67894-72-8|678997-54-1|68882-58-6|702667-02-5|70695-00-0|913283-07-5|937248-86-7|98584-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027633
ERPathway2016 ERPathway2016_214 Irganox 1010 6683-19-8 DTXSID1027633 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC(CCC(=O)OCC(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C Irganox 1010 6683-19-8|Irganox 1010|3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|ADK Stab AO 60|Antioxidant 1010|Arenox A 10|Benzenepropanoic acid, 3,5-bis(1,1- dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3- [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- 1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxypropoxy]methyl]-1,3-propanediyl ester|BRN 2035465|Carbyltetramethylene tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)|Chinox 1010|Cyanox 2110|Dovernox 10|EINECS 229-722-6|Hostanox O 10|Hydrocinna|103843-13-6|1209496-25-2|1234384-04-3|12634-41-2|127337-64-8|131611-06-8|132503-83-4|137500-49-3|1427306-01-1|145526-73-4|154508-64-2|156511-60-3|1801141-34-3|2042682-13-1|245440-68-0|502635-12-3|5106-16-1|60005-82-5|67894-72-8|678997-54-1|68882-58-6|702667-02-5|70695-00-0|913283-07-5|937248-86-7|98584-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027633
ERPathway2016 ERPathway2016_214 Irganox 1010 6683-19-8 DTXSID1027633 Agonist ER Pathway Model, Antagonist Call Active Unitless CC(C)(C)C1=CC(CCC(=O)OCC(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C Irganox 1010 6683-19-8|Irganox 1010|3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|ADK Stab AO 60|Antioxidant 1010|Arenox A 10|Benzenepropanoic acid, 3,5-bis(1,1- dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3- [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- 1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl] ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester|Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxypropoxy]methyl]-1,3-propanediyl ester|BRN 2035465|Carbyltetramethylene tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)|Chinox 1010|Cyanox 2110|Dovernox 10|EINECS 229-722-6|Hostanox O 10|Hydrocinna|103843-13-6|1209496-25-2|1234384-04-3|12634-41-2|127337-64-8|131611-06-8|132503-83-4|137500-49-3|1427306-01-1|145526-73-4|154508-64-2|156511-60-3|1801141-34-3|2042682-13-1|245440-68-0|502635-12-3|5106-16-1|60005-82-5|67894-72-8|678997-54-1|68882-58-6|702667-02-5|70695-00-0|913283-07-5|937248-86-7|98584-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027633
ARPathway2016 ARPathway2016_1200 Isazofos 42509-80-8 DTXSID7034676 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)OC1=NN(C(C)C)C(Cl)=N1 Isazofos 42509-80-8|Isazofos|EINECS 255-863-8|O-(5-Chloro-1-(1-methylethyl)-1H-1,2,4-triazol-3-yl) O,O-diethyl phosphorothioate|O-(5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl) O,O-diethylphosphorothioate|O-5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl O,O-diethyl phosphorothioate|Triumph|UNII-CF67CG9STQ|57425-06-6|65357-77-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034676
ARPathway2016 ARPathway2016_1200 Isazofos 42509-80-8 DTXSID7034676 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=S)(OCC)OC1=NN(C(C)C)C(Cl)=N1 Isazofos 42509-80-8|Isazofos|EINECS 255-863-8|O-(5-Chloro-1-(1-methylethyl)-1H-1,2,4-triazol-3-yl) O,O-diethyl phosphorothioate|O-(5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl) O,O-diethylphosphorothioate|O-5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl O,O-diethyl phosphorothioate|Triumph|UNII-CF67CG9STQ|57425-06-6|65357-77-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034676
ARPathway2016 ARPathway2016_1200 Isazofos 42509-80-8 DTXSID7034676 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)OC1=NN(C(C)C)C(Cl)=N1 Isazofos 42509-80-8|Isazofos|EINECS 255-863-8|O-(5-Chloro-1-(1-methylethyl)-1H-1,2,4-triazol-3-yl) O,O-diethyl phosphorothioate|O-(5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl) O,O-diethylphosphorothioate|O-5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl O,O-diethyl phosphorothioate|Triumph|UNII-CF67CG9STQ|57425-06-6|65357-77-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034676
ARPathway2016 ARPathway2016_1200 Isazofos 42509-80-8 DTXSID7034676 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OCC)OC1=NN(C(C)C)C(Cl)=N1 Isazofos 42509-80-8|Isazofos|EINECS 255-863-8|O-(5-Chloro-1-(1-methylethyl)-1H-1,2,4-triazol-3-yl) O,O-diethyl phosphorothioate|O-(5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl) O,O-diethylphosphorothioate|O-5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl O,O-diethyl phosphorothioate|Triumph|UNII-CF67CG9STQ|57425-06-6|65357-77-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034676
ERPathway2016 ERPathway2016_525 Isazofos 42509-80-8 DTXSID7034676 ER Pathway Model, Agonist Model Score 0 Unitless CCOP(=S)(OCC)OC1=NN(C(C)C)C(Cl)=N1 Isazofos 42509-80-8|Isazofos|EINECS 255-863-8|O-(5-Chloro-1-(1-methylethyl)-1H-1,2,4-triazol-3-yl) O,O-diethyl phosphorothioate|O-(5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl) O,O-diethylphosphorothioate|O-5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl O,O-diethyl phosphorothioate|Triumph|UNII-CF67CG9STQ|57425-06-6|65357-77-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034676
ERPathway2016 ERPathway2016_525 Isazofos 42509-80-8 DTXSID7034676 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)OC1=NN(C(C)C)C(Cl)=N1 Isazofos 42509-80-8|Isazofos|EINECS 255-863-8|O-(5-Chloro-1-(1-methylethyl)-1H-1,2,4-triazol-3-yl) O,O-diethyl phosphorothioate|O-(5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl) O,O-diethylphosphorothioate|O-5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl O,O-diethyl phosphorothioate|Triumph|UNII-CF67CG9STQ|57425-06-6|65357-77-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034676
ERPathway2016 ERPathway2016_525 Isazofos 42509-80-8 DTXSID7034676 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)OC1=NN(C(C)C)C(Cl)=N1 Isazofos 42509-80-8|Isazofos|EINECS 255-863-8|O-(5-Chloro-1-(1-methylethyl)-1H-1,2,4-triazol-3-yl) O,O-diethyl phosphorothioate|O-(5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl) O,O-diethylphosphorothioate|O-5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl O,O-diethyl phosphorothioate|Triumph|UNII-CF67CG9STQ|57425-06-6|65357-77-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034676
ERPathway2016 ERPathway2016_525 Isazofos 42509-80-8 DTXSID7034676 ER Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OCC)OC1=NN(C(C)C)C(Cl)=N1 Isazofos 42509-80-8|Isazofos|EINECS 255-863-8|O-(5-Chloro-1-(1-methylethyl)-1H-1,2,4-triazol-3-yl) O,O-diethyl phosphorothioate|O-(5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl) O,O-diethylphosphorothioate|O-5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl O,O-diethyl phosphorothioate|Triumph|UNII-CF67CG9STQ|57425-06-6|65357-77-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034676
ARPathway2016 ARPathway2016_739 Isoborneol 124-76-5 DTXSID2042060 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2 Isoborneol 124-76-5|Isoborneol|(.+-.)-Isoborneol|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol, exo-|2-Bornanol, exo-|2-Camphanol, exo-|2-exo-Bornyl alcohol|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, exo-|BRN 4126091|DL-Isoborneol|EINECS 204-712-4|exo-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol|exo-1,7,7-trimethylbicyclo[2.2.1]heptane-2-ol|exo-1,7,7-trimetilbiciclo[2.2.1]heptan-2-ol|exo-2-Hydroxy-1,7,7-trimethylnorbornane|Exoborneol|FEMA No. 2158|Isobomeol|Isobornyl alcohol|Isocamphol|NSC 26350|UNII-L88RA8N5EG|24393-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042060
ARPathway2016 ARPathway2016_739 Isoborneol 124-76-5 DTXSID2042060 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2 Isoborneol 124-76-5|Isoborneol|(.+-.)-Isoborneol|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol, exo-|2-Bornanol, exo-|2-Camphanol, exo-|2-exo-Bornyl alcohol|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, exo-|BRN 4126091|DL-Isoborneol|EINECS 204-712-4|exo-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol|exo-1,7,7-trimethylbicyclo[2.2.1]heptane-2-ol|exo-1,7,7-trimetilbiciclo[2.2.1]heptan-2-ol|exo-2-Hydroxy-1,7,7-trimethylnorbornane|Exoborneol|FEMA No. 2158|Isobomeol|Isobornyl alcohol|Isocamphol|NSC 26350|UNII-L88RA8N5EG|24393-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042060
ARPathway2016 ARPathway2016_739 Isoborneol 124-76-5 DTXSID2042060 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2 Isoborneol 124-76-5|Isoborneol|(.+-.)-Isoborneol|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol, exo-|2-Bornanol, exo-|2-Camphanol, exo-|2-exo-Bornyl alcohol|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, exo-|BRN 4126091|DL-Isoborneol|EINECS 204-712-4|exo-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol|exo-1,7,7-trimethylbicyclo[2.2.1]heptane-2-ol|exo-1,7,7-trimetilbiciclo[2.2.1]heptan-2-ol|exo-2-Hydroxy-1,7,7-trimethylnorbornane|Exoborneol|FEMA No. 2158|Isobomeol|Isobornyl alcohol|Isocamphol|NSC 26350|UNII-L88RA8N5EG|24393-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042060
ARPathway2016 ARPathway2016_739 Isoborneol 124-76-5 DTXSID2042060 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2 Isoborneol 124-76-5|Isoborneol|(.+-.)-Isoborneol|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol, exo-|2-Bornanol, exo-|2-Camphanol, exo-|2-exo-Bornyl alcohol|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, exo-|BRN 4126091|DL-Isoborneol|EINECS 204-712-4|exo-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol|exo-1,7,7-trimethylbicyclo[2.2.1]heptane-2-ol|exo-1,7,7-trimetilbiciclo[2.2.1]heptan-2-ol|exo-2-Hydroxy-1,7,7-trimethylnorbornane|Exoborneol|FEMA No. 2158|Isobomeol|Isobornyl alcohol|Isocamphol|NSC 26350|UNII-L88RA8N5EG|24393-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042060
ERPathway2016 ERPathway2016_1250 Isoborneol 124-76-5 DTXSID2042060 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2 Isoborneol 124-76-5|Isoborneol|(.+-.)-Isoborneol|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol, exo-|2-Bornanol, exo-|2-Camphanol, exo-|2-exo-Bornyl alcohol|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, exo-|BRN 4126091|DL-Isoborneol|EINECS 204-712-4|exo-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol|exo-1,7,7-trimethylbicyclo[2.2.1]heptane-2-ol|exo-1,7,7-trimetilbiciclo[2.2.1]heptan-2-ol|exo-2-Hydroxy-1,7,7-trimethylnorbornane|Exoborneol|FEMA No. 2158|Isobomeol|Isobornyl alcohol|Isocamphol|NSC 26350|UNII-L88RA8N5EG|24393-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042060
ERPathway2016 ERPathway2016_1250 Isoborneol 124-76-5 DTXSID2042060 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2 Isoborneol 124-76-5|Isoborneol|(.+-.)-Isoborneol|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol, exo-|2-Bornanol, exo-|2-Camphanol, exo-|2-exo-Bornyl alcohol|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, exo-|BRN 4126091|DL-Isoborneol|EINECS 204-712-4|exo-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol|exo-1,7,7-trimethylbicyclo[2.2.1]heptane-2-ol|exo-1,7,7-trimetilbiciclo[2.2.1]heptan-2-ol|exo-2-Hydroxy-1,7,7-trimethylnorbornane|Exoborneol|FEMA No. 2158|Isobomeol|Isobornyl alcohol|Isocamphol|NSC 26350|UNII-L88RA8N5EG|24393-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042060
ERPathway2016 ERPathway2016_1250 Isoborneol 124-76-5 DTXSID2042060 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2 Isoborneol 124-76-5|Isoborneol|(.+-.)-Isoborneol|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol, exo-|2-Bornanol, exo-|2-Camphanol, exo-|2-exo-Bornyl alcohol|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, exo-|BRN 4126091|DL-Isoborneol|EINECS 204-712-4|exo-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol|exo-1,7,7-trimethylbicyclo[2.2.1]heptane-2-ol|exo-1,7,7-trimetilbiciclo[2.2.1]heptan-2-ol|exo-2-Hydroxy-1,7,7-trimethylnorbornane|Exoborneol|FEMA No. 2158|Isobomeol|Isobornyl alcohol|Isocamphol|NSC 26350|UNII-L88RA8N5EG|24393-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042060
ERPathway2016 ERPathway2016_1250 Isoborneol 124-76-5 DTXSID2042060 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2 Isoborneol 124-76-5|Isoborneol|(.+-.)-Isoborneol|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol, exo-|2-Bornanol, exo-|2-Camphanol, exo-|2-exo-Bornyl alcohol|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, exo-|BRN 4126091|DL-Isoborneol|EINECS 204-712-4|exo-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol|exo-1,7,7-trimethylbicyclo[2.2.1]heptane-2-ol|exo-1,7,7-trimetilbiciclo[2.2.1]heptan-2-ol|exo-2-Hydroxy-1,7,7-trimethylnorbornane|Exoborneol|FEMA No. 2158|Isobomeol|Isobornyl alcohol|Isocamphol|NSC 26350|UNII-L88RA8N5EG|24393-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042060
ARPathway2016 ARPathway2016_740 Isobornyl acetate 125-12-2 DTXSID7042061 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Isobornyl acetate 125-12-2|Isobornyl acetate|(+/-)-Isobornyl acetate|(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, exo-|2-Bornyl acetate, exo-|2-Camphanyl acetate, exo-|Acetate de exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yle|ACETATE, 1,7,7-TRIMETHYL-BICYCLO[2.2.1]HEPT-2-YL, EXO-|acetato de exo-1,7,7-trimetilbiciclo[2.2.1]hept-2-ilo|Acetic acid, isobornyl ester|Biciclo [2.2.1] heptan-2-ol, 1,7,7-trimetil-, 2-acetato, (1R, 2R, 4R)-rel -|Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2S,4S)-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-|EINECS 204-727-6|ESSIGSAEURE-ISOBORNYLESTER|exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate|exo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylacetat|exo-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol acetate|exo-Bornyl acetate|FEMA No. 2160|Isobomyl ac|17283-45-3|904815-44-7|910885-10-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042061
ARPathway2016 ARPathway2016_740 Isobornyl acetate 125-12-2 DTXSID7042061 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Isobornyl acetate 125-12-2|Isobornyl acetate|(+/-)-Isobornyl acetate|(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, exo-|2-Bornyl acetate, exo-|2-Camphanyl acetate, exo-|Acetate de exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yle|ACETATE, 1,7,7-TRIMETHYL-BICYCLO[2.2.1]HEPT-2-YL, EXO-|acetato de exo-1,7,7-trimetilbiciclo[2.2.1]hept-2-ilo|Acetic acid, isobornyl ester|Biciclo [2.2.1] heptan-2-ol, 1,7,7-trimetil-, 2-acetato, (1R, 2R, 4R)-rel -|Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2S,4S)-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-|EINECS 204-727-6|ESSIGSAEURE-ISOBORNYLESTER|exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate|exo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylacetat|exo-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol acetate|exo-Bornyl acetate|FEMA No. 2160|Isobomyl ac|17283-45-3|904815-44-7|910885-10-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042061
ARPathway2016 ARPathway2016_740 Isobornyl acetate 125-12-2 DTXSID7042061 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Isobornyl acetate 125-12-2|Isobornyl acetate|(+/-)-Isobornyl acetate|(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, exo-|2-Bornyl acetate, exo-|2-Camphanyl acetate, exo-|Acetate de exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yle|ACETATE, 1,7,7-TRIMETHYL-BICYCLO[2.2.1]HEPT-2-YL, EXO-|acetato de exo-1,7,7-trimetilbiciclo[2.2.1]hept-2-ilo|Acetic acid, isobornyl ester|Biciclo [2.2.1] heptan-2-ol, 1,7,7-trimetil-, 2-acetato, (1R, 2R, 4R)-rel -|Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2S,4S)-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-|EINECS 204-727-6|ESSIGSAEURE-ISOBORNYLESTER|exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate|exo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylacetat|exo-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol acetate|exo-Bornyl acetate|FEMA No. 2160|Isobomyl ac|17283-45-3|904815-44-7|910885-10-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042061
ARPathway2016 ARPathway2016_740 Isobornyl acetate 125-12-2 DTXSID7042061 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Isobornyl acetate 125-12-2|Isobornyl acetate|(+/-)-Isobornyl acetate|(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, exo-|2-Bornyl acetate, exo-|2-Camphanyl acetate, exo-|Acetate de exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yle|ACETATE, 1,7,7-TRIMETHYL-BICYCLO[2.2.1]HEPT-2-YL, EXO-|acetato de exo-1,7,7-trimetilbiciclo[2.2.1]hept-2-ilo|Acetic acid, isobornyl ester|Biciclo [2.2.1] heptan-2-ol, 1,7,7-trimetil-, 2-acetato, (1R, 2R, 4R)-rel -|Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2S,4S)-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-|EINECS 204-727-6|ESSIGSAEURE-ISOBORNYLESTER|exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate|exo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylacetat|exo-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol acetate|exo-Bornyl acetate|FEMA No. 2160|Isobomyl ac|17283-45-3|904815-44-7|910885-10-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042061
ERPathway2016 ERPathway2016_1251 Isobornyl acetate 125-12-2 DTXSID7042061 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Isobornyl acetate 125-12-2|Isobornyl acetate|(+/-)-Isobornyl acetate|(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, exo-|2-Bornyl acetate, exo-|2-Camphanyl acetate, exo-|Acetate de exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yle|ACETATE, 1,7,7-TRIMETHYL-BICYCLO[2.2.1]HEPT-2-YL, EXO-|acetato de exo-1,7,7-trimetilbiciclo[2.2.1]hept-2-ilo|Acetic acid, isobornyl ester|Biciclo [2.2.1] heptan-2-ol, 1,7,7-trimetil-, 2-acetato, (1R, 2R, 4R)-rel -|Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2S,4S)-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-|EINECS 204-727-6|ESSIGSAEURE-ISOBORNYLESTER|exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate|exo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylacetat|exo-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol acetate|exo-Bornyl acetate|FEMA No. 2160|Isobomyl ac|17283-45-3|904815-44-7|910885-10-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042061
ERPathway2016 ERPathway2016_1251 Isobornyl acetate 125-12-2 DTXSID7042061 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Isobornyl acetate 125-12-2|Isobornyl acetate|(+/-)-Isobornyl acetate|(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, exo-|2-Bornyl acetate, exo-|2-Camphanyl acetate, exo-|Acetate de exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yle|ACETATE, 1,7,7-TRIMETHYL-BICYCLO[2.2.1]HEPT-2-YL, EXO-|acetato de exo-1,7,7-trimetilbiciclo[2.2.1]hept-2-ilo|Acetic acid, isobornyl ester|Biciclo [2.2.1] heptan-2-ol, 1,7,7-trimetil-, 2-acetato, (1R, 2R, 4R)-rel -|Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2S,4S)-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-|EINECS 204-727-6|ESSIGSAEURE-ISOBORNYLESTER|exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate|exo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylacetat|exo-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol acetate|exo-Bornyl acetate|FEMA No. 2160|Isobomyl ac|17283-45-3|904815-44-7|910885-10-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042061
ERPathway2016 ERPathway2016_1251 Isobornyl acetate 125-12-2 DTXSID7042061 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Isobornyl acetate 125-12-2|Isobornyl acetate|(+/-)-Isobornyl acetate|(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, exo-|2-Bornyl acetate, exo-|2-Camphanyl acetate, exo-|Acetate de exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yle|ACETATE, 1,7,7-TRIMETHYL-BICYCLO[2.2.1]HEPT-2-YL, EXO-|acetato de exo-1,7,7-trimetilbiciclo[2.2.1]hept-2-ilo|Acetic acid, isobornyl ester|Biciclo [2.2.1] heptan-2-ol, 1,7,7-trimetil-, 2-acetato, (1R, 2R, 4R)-rel -|Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2S,4S)-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-|EINECS 204-727-6|ESSIGSAEURE-ISOBORNYLESTER|exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate|exo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylacetat|exo-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol acetate|exo-Bornyl acetate|FEMA No. 2160|Isobomyl ac|17283-45-3|904815-44-7|910885-10-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042061
ERPathway2016 ERPathway2016_1251 Isobornyl acetate 125-12-2 DTXSID7042061 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Isobornyl acetate 125-12-2|Isobornyl acetate|(+/-)-Isobornyl acetate|(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, exo-|2-Bornyl acetate, exo-|2-Camphanyl acetate, exo-|Acetate de exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yle|ACETATE, 1,7,7-TRIMETHYL-BICYCLO[2.2.1]HEPT-2-YL, EXO-|acetato de exo-1,7,7-trimetilbiciclo[2.2.1]hept-2-ilo|Acetic acid, isobornyl ester|Biciclo [2.2.1] heptan-2-ol, 1,7,7-trimetil-, 2-acetato, (1R, 2R, 4R)-rel -|Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2S,4S)-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-|EINECS 204-727-6|ESSIGSAEURE-ISOBORNYLESTER|exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate|exo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylacetat|exo-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol acetate|exo-Bornyl acetate|FEMA No. 2160|Isobomyl ac|17283-45-3|904815-44-7|910885-10-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042061
ARPathway2016 ARPathway2016_1092 Isobornyl propanoate 2756-56-1 DTXSID2042062 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Isobornyl propanoate 2756-56-1|Isobornyl propanoate|220-410-5|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-propanoate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, exo-|EC No.: 220-410-5|EINECS 220-410-5|FEMA No. 2163|Isoborneol, propionate|Isobornyl propionate|NSC 67993|Propionic acid, isobornyl ester|rel-(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl propionate|rel-Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1S,2S,4S)-|UNII-7T3RQY66IC https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042062
ARPathway2016 ARPathway2016_1092 Isobornyl propanoate 2756-56-1 DTXSID2042062 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Isobornyl propanoate 2756-56-1|Isobornyl propanoate|220-410-5|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-propanoate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, exo-|EC No.: 220-410-5|EINECS 220-410-5|FEMA No. 2163|Isoborneol, propionate|Isobornyl propionate|NSC 67993|Propionic acid, isobornyl ester|rel-(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl propionate|rel-Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1S,2S,4S)-|UNII-7T3RQY66IC https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042062
ARPathway2016 ARPathway2016_1092 Isobornyl propanoate 2756-56-1 DTXSID2042062 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Isobornyl propanoate 2756-56-1|Isobornyl propanoate|220-410-5|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-propanoate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, exo-|EC No.: 220-410-5|EINECS 220-410-5|FEMA No. 2163|Isoborneol, propionate|Isobornyl propionate|NSC 67993|Propionic acid, isobornyl ester|rel-(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl propionate|rel-Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1S,2S,4S)-|UNII-7T3RQY66IC https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042062
ARPathway2016 ARPathway2016_1092 Isobornyl propanoate 2756-56-1 DTXSID2042062 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Isobornyl propanoate 2756-56-1|Isobornyl propanoate|220-410-5|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-propanoate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, exo-|EC No.: 220-410-5|EINECS 220-410-5|FEMA No. 2163|Isoborneol, propionate|Isobornyl propionate|NSC 67993|Propionic acid, isobornyl ester|rel-(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl propionate|rel-Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1S,2S,4S)-|UNII-7T3RQY66IC https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042062
ERPathway2016 ERPathway2016_801 Isobornyl propanoate 2756-56-1 DTXSID2042062 ER Pathway Model, Agonist Model Score 0 Unitless CCC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Isobornyl propanoate 2756-56-1|Isobornyl propanoate|220-410-5|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-propanoate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, exo-|EC No.: 220-410-5|EINECS 220-410-5|FEMA No. 2163|Isoborneol, propionate|Isobornyl propionate|NSC 67993|Propionic acid, isobornyl ester|rel-(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl propionate|rel-Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1S,2S,4S)-|UNII-7T3RQY66IC https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042062
ERPathway2016 ERPathway2016_801 Isobornyl propanoate 2756-56-1 DTXSID2042062 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Isobornyl propanoate 2756-56-1|Isobornyl propanoate|220-410-5|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-propanoate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, exo-|EC No.: 220-410-5|EINECS 220-410-5|FEMA No. 2163|Isoborneol, propionate|Isobornyl propionate|NSC 67993|Propionic acid, isobornyl ester|rel-(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl propionate|rel-Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1S,2S,4S)-|UNII-7T3RQY66IC https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042062
ERPathway2016 ERPathway2016_801 Isobornyl propanoate 2756-56-1 DTXSID2042062 ER Pathway Model, Agonist Call Inactive Unitless CCC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Isobornyl propanoate 2756-56-1|Isobornyl propanoate|220-410-5|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-propanoate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, exo-|EC No.: 220-410-5|EINECS 220-410-5|FEMA No. 2163|Isoborneol, propionate|Isobornyl propionate|NSC 67993|Propionic acid, isobornyl ester|rel-(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl propionate|rel-Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1S,2S,4S)-|UNII-7T3RQY66IC https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042062
ERPathway2016 ERPathway2016_801 Isobornyl propanoate 2756-56-1 DTXSID2042062 ER Pathway Model, Antagonist Call Inactive Unitless CCC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C Isobornyl propanoate 2756-56-1|Isobornyl propanoate|220-410-5|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-propanoate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, exo-|EC No.: 220-410-5|EINECS 220-410-5|FEMA No. 2163|Isoborneol, propionate|Isobornyl propionate|NSC 67993|Propionic acid, isobornyl ester|rel-(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl propionate|rel-Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1S,2S,4S)-|UNII-7T3RQY66IC https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042062
ARPathway2016 ARPathway2016_1789 Isoeugenol 97-54-1 DTXSID7022413 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC(C=CC)=CC=C1O Isoeugenol 97-54-1|Isoeugenol|1-(3-Methoxy-4-hydroxyphenyl)-1-propene|1-Hydroxy-2-methoxy-4-propen-1-ylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|2-Methoxy-4-(1-propenyl)phenol|2-METHOXY-4-PROPEN-1-YL PHENOL|2-Methoxy-4-propenylphenol|3-06-00-04993|3-METHOXY-4-HYDROXY-1-PROPEN-1-YL BENZENE|3-Methoxy-4-hydroxy-1-propen-1-ylbenzene|3-Methoxy-4-hydroxy-1-propenylbenzene|3-Methoxy-4-hydroxypropenylbenzene|4-Hydroxy-3-methoxy-1-propen-1-ylbenzene|4-Hydroxy-3-methoxy-1-propenylbenzene|4-Hydroxy-3-methoxy-b-methylstyrene|4-Hydroxy-3-methoxypropenylbenzene|4-Propenylguaiacol|BRN 1909602|EINECS 202-590-7|FEMA No. 2468|iso-Eugenol|ISOEUGENOL EX CLOVE OIL|NCI-C60979|NSC 6769|Phenol, 2-methoxy-4-(1-propen-1-yl)-|Phenol, 2-methoxy-4-(1-propenyl)-|Phenol, 2-methoxy-4-propenyl-|Propenylguaiacol|UNII-5M0MWY797U https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022413 https://doi.org/10.22427/NTP-DATA-DTXSID7022413
ARPathway2016 ARPathway2016_1789 Isoeugenol 97-54-1 DTXSID7022413 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC(C=CC)=CC=C1O Isoeugenol 97-54-1|Isoeugenol|1-(3-Methoxy-4-hydroxyphenyl)-1-propene|1-Hydroxy-2-methoxy-4-propen-1-ylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|2-Methoxy-4-(1-propenyl)phenol|2-METHOXY-4-PROPEN-1-YL PHENOL|2-Methoxy-4-propenylphenol|3-06-00-04993|3-METHOXY-4-HYDROXY-1-PROPEN-1-YL BENZENE|3-Methoxy-4-hydroxy-1-propen-1-ylbenzene|3-Methoxy-4-hydroxy-1-propenylbenzene|3-Methoxy-4-hydroxypropenylbenzene|4-Hydroxy-3-methoxy-1-propen-1-ylbenzene|4-Hydroxy-3-methoxy-1-propenylbenzene|4-Hydroxy-3-methoxy-b-methylstyrene|4-Hydroxy-3-methoxypropenylbenzene|4-Propenylguaiacol|BRN 1909602|EINECS 202-590-7|FEMA No. 2468|iso-Eugenol|ISOEUGENOL EX CLOVE OIL|NCI-C60979|NSC 6769|Phenol, 2-methoxy-4-(1-propen-1-yl)-|Phenol, 2-methoxy-4-(1-propenyl)-|Phenol, 2-methoxy-4-propenyl-|Propenylguaiacol|UNII-5M0MWY797U https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022413 https://doi.org/10.22427/NTP-DATA-DTXSID7022413
ARPathway2016 ARPathway2016_1789 Isoeugenol 97-54-1 DTXSID7022413 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC(C=CC)=CC=C1O Isoeugenol 97-54-1|Isoeugenol|1-(3-Methoxy-4-hydroxyphenyl)-1-propene|1-Hydroxy-2-methoxy-4-propen-1-ylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|2-Methoxy-4-(1-propenyl)phenol|2-METHOXY-4-PROPEN-1-YL PHENOL|2-Methoxy-4-propenylphenol|3-06-00-04993|3-METHOXY-4-HYDROXY-1-PROPEN-1-YL BENZENE|3-Methoxy-4-hydroxy-1-propen-1-ylbenzene|3-Methoxy-4-hydroxy-1-propenylbenzene|3-Methoxy-4-hydroxypropenylbenzene|4-Hydroxy-3-methoxy-1-propen-1-ylbenzene|4-Hydroxy-3-methoxy-1-propenylbenzene|4-Hydroxy-3-methoxy-b-methylstyrene|4-Hydroxy-3-methoxypropenylbenzene|4-Propenylguaiacol|BRN 1909602|EINECS 202-590-7|FEMA No. 2468|iso-Eugenol|ISOEUGENOL EX CLOVE OIL|NCI-C60979|NSC 6769|Phenol, 2-methoxy-4-(1-propen-1-yl)-|Phenol, 2-methoxy-4-(1-propenyl)-|Phenol, 2-methoxy-4-propenyl-|Propenylguaiacol|UNII-5M0MWY797U https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022413 https://doi.org/10.22427/NTP-DATA-DTXSID7022413
ARPathway2016 ARPathway2016_1789 Isoeugenol 97-54-1 DTXSID7022413 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC(C=CC)=CC=C1O Isoeugenol 97-54-1|Isoeugenol|1-(3-Methoxy-4-hydroxyphenyl)-1-propene|1-Hydroxy-2-methoxy-4-propen-1-ylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|2-Methoxy-4-(1-propenyl)phenol|2-METHOXY-4-PROPEN-1-YL PHENOL|2-Methoxy-4-propenylphenol|3-06-00-04993|3-METHOXY-4-HYDROXY-1-PROPEN-1-YL BENZENE|3-Methoxy-4-hydroxy-1-propen-1-ylbenzene|3-Methoxy-4-hydroxy-1-propenylbenzene|3-Methoxy-4-hydroxypropenylbenzene|4-Hydroxy-3-methoxy-1-propen-1-ylbenzene|4-Hydroxy-3-methoxy-1-propenylbenzene|4-Hydroxy-3-methoxy-b-methylstyrene|4-Hydroxy-3-methoxypropenylbenzene|4-Propenylguaiacol|BRN 1909602|EINECS 202-590-7|FEMA No. 2468|iso-Eugenol|ISOEUGENOL EX CLOVE OIL|NCI-C60979|NSC 6769|Phenol, 2-methoxy-4-(1-propen-1-yl)-|Phenol, 2-methoxy-4-(1-propenyl)-|Phenol, 2-methoxy-4-propenyl-|Propenylguaiacol|UNII-5M0MWY797U https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022413 https://doi.org/10.22427/NTP-DATA-DTXSID7022413
ERPathway2016 ERPathway2016_377 Isoeugenol 97-54-1 DTXSID7022413 ER Pathway Model, Antagonist AC50 56.0165711806361 uM COC1=CC(C=CC)=CC=C1O Isoeugenol 97-54-1|Isoeugenol|1-(3-Methoxy-4-hydroxyphenyl)-1-propene|1-Hydroxy-2-methoxy-4-propen-1-ylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|2-Methoxy-4-(1-propenyl)phenol|2-METHOXY-4-PROPEN-1-YL PHENOL|2-Methoxy-4-propenylphenol|3-06-00-04993|3-METHOXY-4-HYDROXY-1-PROPEN-1-YL BENZENE|3-Methoxy-4-hydroxy-1-propen-1-ylbenzene|3-Methoxy-4-hydroxy-1-propenylbenzene|3-Methoxy-4-hydroxypropenylbenzene|4-Hydroxy-3-methoxy-1-propen-1-ylbenzene|4-Hydroxy-3-methoxy-1-propenylbenzene|4-Hydroxy-3-methoxy-b-methylstyrene|4-Hydroxy-3-methoxypropenylbenzene|4-Propenylguaiacol|BRN 1909602|EINECS 202-590-7|FEMA No. 2468|iso-Eugenol|ISOEUGENOL EX CLOVE OIL|NCI-C60979|NSC 6769|Phenol, 2-methoxy-4-(1-propen-1-yl)-|Phenol, 2-methoxy-4-(1-propenyl)-|Phenol, 2-methoxy-4-propenyl-|Propenylguaiacol|UNII-5M0MWY797U https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022413 https://doi.org/10.22427/NTP-DATA-DTXSID7022413
ERPathway2016 ERPathway2016_377 Isoeugenol 97-54-1 DTXSID7022413 ER Pathway Model, Antagonist ACC 48.2923742954896 uM COC1=CC(C=CC)=CC=C1O Isoeugenol 97-54-1|Isoeugenol|1-(3-Methoxy-4-hydroxyphenyl)-1-propene|1-Hydroxy-2-methoxy-4-propen-1-ylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|2-Methoxy-4-(1-propenyl)phenol|2-METHOXY-4-PROPEN-1-YL PHENOL|2-Methoxy-4-propenylphenol|3-06-00-04993|3-METHOXY-4-HYDROXY-1-PROPEN-1-YL BENZENE|3-Methoxy-4-hydroxy-1-propen-1-ylbenzene|3-Methoxy-4-hydroxy-1-propenylbenzene|3-Methoxy-4-hydroxypropenylbenzene|4-Hydroxy-3-methoxy-1-propen-1-ylbenzene|4-Hydroxy-3-methoxy-1-propenylbenzene|4-Hydroxy-3-methoxy-b-methylstyrene|4-Hydroxy-3-methoxypropenylbenzene|4-Propenylguaiacol|BRN 1909602|EINECS 202-590-7|FEMA No. 2468|iso-Eugenol|ISOEUGENOL EX CLOVE OIL|NCI-C60979|NSC 6769|Phenol, 2-methoxy-4-(1-propen-1-yl)-|Phenol, 2-methoxy-4-(1-propenyl)-|Phenol, 2-methoxy-4-propenyl-|Propenylguaiacol|UNII-5M0MWY797U https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022413 https://doi.org/10.22427/NTP-DATA-DTXSID7022413
ERPathway2016 ERPathway2016_377 Isoeugenol 97-54-1 DTXSID7022413 ER Pathway Model, Agonist Model Score 0.0124 Unitless COC1=CC(C=CC)=CC=C1O Isoeugenol 97-54-1|Isoeugenol|1-(3-Methoxy-4-hydroxyphenyl)-1-propene|1-Hydroxy-2-methoxy-4-propen-1-ylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|2-Methoxy-4-(1-propenyl)phenol|2-METHOXY-4-PROPEN-1-YL PHENOL|2-Methoxy-4-propenylphenol|3-06-00-04993|3-METHOXY-4-HYDROXY-1-PROPEN-1-YL BENZENE|3-Methoxy-4-hydroxy-1-propen-1-ylbenzene|3-Methoxy-4-hydroxy-1-propenylbenzene|3-Methoxy-4-hydroxypropenylbenzene|4-Hydroxy-3-methoxy-1-propen-1-ylbenzene|4-Hydroxy-3-methoxy-1-propenylbenzene|4-Hydroxy-3-methoxy-b-methylstyrene|4-Hydroxy-3-methoxypropenylbenzene|4-Propenylguaiacol|BRN 1909602|EINECS 202-590-7|FEMA No. 2468|iso-Eugenol|ISOEUGENOL EX CLOVE OIL|NCI-C60979|NSC 6769|Phenol, 2-methoxy-4-(1-propen-1-yl)-|Phenol, 2-methoxy-4-(1-propenyl)-|Phenol, 2-methoxy-4-propenyl-|Propenylguaiacol|UNII-5M0MWY797U https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022413 https://doi.org/10.22427/NTP-DATA-DTXSID7022413
ERPathway2016 ERPathway2016_377 Isoeugenol 97-54-1 DTXSID7022413 ER Pathway Model, Antagonist Model Score 0.00199 Unitless COC1=CC(C=CC)=CC=C1O Isoeugenol 97-54-1|Isoeugenol|1-(3-Methoxy-4-hydroxyphenyl)-1-propene|1-Hydroxy-2-methoxy-4-propen-1-ylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|2-Methoxy-4-(1-propenyl)phenol|2-METHOXY-4-PROPEN-1-YL PHENOL|2-Methoxy-4-propenylphenol|3-06-00-04993|3-METHOXY-4-HYDROXY-1-PROPEN-1-YL BENZENE|3-Methoxy-4-hydroxy-1-propen-1-ylbenzene|3-Methoxy-4-hydroxy-1-propenylbenzene|3-Methoxy-4-hydroxypropenylbenzene|4-Hydroxy-3-methoxy-1-propen-1-ylbenzene|4-Hydroxy-3-methoxy-1-propenylbenzene|4-Hydroxy-3-methoxy-b-methylstyrene|4-Hydroxy-3-methoxypropenylbenzene|4-Propenylguaiacol|BRN 1909602|EINECS 202-590-7|FEMA No. 2468|iso-Eugenol|ISOEUGENOL EX CLOVE OIL|NCI-C60979|NSC 6769|Phenol, 2-methoxy-4-(1-propen-1-yl)-|Phenol, 2-methoxy-4-(1-propenyl)-|Phenol, 2-methoxy-4-propenyl-|Propenylguaiacol|UNII-5M0MWY797U https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022413 https://doi.org/10.22427/NTP-DATA-DTXSID7022413
ERPathway2016 ERPathway2016_377 Isoeugenol 97-54-1 DTXSID7022413 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC(C=CC)=CC=C1O Isoeugenol 97-54-1|Isoeugenol|1-(3-Methoxy-4-hydroxyphenyl)-1-propene|1-Hydroxy-2-methoxy-4-propen-1-ylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|2-Methoxy-4-(1-propenyl)phenol|2-METHOXY-4-PROPEN-1-YL PHENOL|2-Methoxy-4-propenylphenol|3-06-00-04993|3-METHOXY-4-HYDROXY-1-PROPEN-1-YL BENZENE|3-Methoxy-4-hydroxy-1-propen-1-ylbenzene|3-Methoxy-4-hydroxy-1-propenylbenzene|3-Methoxy-4-hydroxypropenylbenzene|4-Hydroxy-3-methoxy-1-propen-1-ylbenzene|4-Hydroxy-3-methoxy-1-propenylbenzene|4-Hydroxy-3-methoxy-b-methylstyrene|4-Hydroxy-3-methoxypropenylbenzene|4-Propenylguaiacol|BRN 1909602|EINECS 202-590-7|FEMA No. 2468|iso-Eugenol|ISOEUGENOL EX CLOVE OIL|NCI-C60979|NSC 6769|Phenol, 2-methoxy-4-(1-propen-1-yl)-|Phenol, 2-methoxy-4-(1-propenyl)-|Phenol, 2-methoxy-4-propenyl-|Propenylguaiacol|UNII-5M0MWY797U https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022413 https://doi.org/10.22427/NTP-DATA-DTXSID7022413
ERPathway2016 ERPathway2016_377 Isoeugenol 97-54-1 DTXSID7022413 ER Pathway Model, Antagonist Call Active Unitless COC1=CC(C=CC)=CC=C1O Isoeugenol 97-54-1|Isoeugenol|1-(3-Methoxy-4-hydroxyphenyl)-1-propene|1-Hydroxy-2-methoxy-4-propen-1-ylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|2-Methoxy-4-(1-propenyl)phenol|2-METHOXY-4-PROPEN-1-YL PHENOL|2-Methoxy-4-propenylphenol|3-06-00-04993|3-METHOXY-4-HYDROXY-1-PROPEN-1-YL BENZENE|3-Methoxy-4-hydroxy-1-propen-1-ylbenzene|3-Methoxy-4-hydroxy-1-propenylbenzene|3-Methoxy-4-hydroxypropenylbenzene|4-Hydroxy-3-methoxy-1-propen-1-ylbenzene|4-Hydroxy-3-methoxy-1-propenylbenzene|4-Hydroxy-3-methoxy-b-methylstyrene|4-Hydroxy-3-methoxypropenylbenzene|4-Propenylguaiacol|BRN 1909602|EINECS 202-590-7|FEMA No. 2468|iso-Eugenol|ISOEUGENOL EX CLOVE OIL|NCI-C60979|NSC 6769|Phenol, 2-methoxy-4-(1-propen-1-yl)-|Phenol, 2-methoxy-4-(1-propenyl)-|Phenol, 2-methoxy-4-propenyl-|Propenylguaiacol|UNII-5M0MWY797U https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022413 https://doi.org/10.22427/NTP-DATA-DTXSID7022413
ARPathway2016 ARPathway2016_759 Isomethyl-alpha-ionone 127-51-5 DTXSID7027047 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)C(C)=CC1C(C)=CCCC1(C)C Isomethyl-alpha-ionone 127-51-5|Isomethyl-alpha-ionone|204-846-3|3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-|3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one|alpha-Cetone|alpha-Ionone, isomethyl-|alpha-Isomethylionone|Cetone alpha|EC No.: 204-846-3|EINECS 204-846-3|FEMA No. 2714|Isomethyl-a-ionone|Methyl-alpha-isoionone|NSC 66432|UNII-9XP4LC555B|a-Cetone|a-Ionone, isomethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027047
ARPathway2016 ARPathway2016_759 Isomethyl-alpha-ionone 127-51-5 DTXSID7027047 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)C(C)=CC1C(C)=CCCC1(C)C Isomethyl-alpha-ionone 127-51-5|Isomethyl-alpha-ionone|204-846-3|3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-|3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one|alpha-Cetone|alpha-Ionone, isomethyl-|alpha-Isomethylionone|Cetone alpha|EC No.: 204-846-3|EINECS 204-846-3|FEMA No. 2714|Isomethyl-a-ionone|Methyl-alpha-isoionone|NSC 66432|UNII-9XP4LC555B|a-Cetone|a-Ionone, isomethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027047
ARPathway2016 ARPathway2016_759 Isomethyl-alpha-ionone 127-51-5 DTXSID7027047 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C(C)=CC1C(C)=CCCC1(C)C Isomethyl-alpha-ionone 127-51-5|Isomethyl-alpha-ionone|204-846-3|3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-|3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one|alpha-Cetone|alpha-Ionone, isomethyl-|alpha-Isomethylionone|Cetone alpha|EC No.: 204-846-3|EINECS 204-846-3|FEMA No. 2714|Isomethyl-a-ionone|Methyl-alpha-isoionone|NSC 66432|UNII-9XP4LC555B|a-Cetone|a-Ionone, isomethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027047
ARPathway2016 ARPathway2016_759 Isomethyl-alpha-ionone 127-51-5 DTXSID7027047 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)C(C)=CC1C(C)=CCCC1(C)C Isomethyl-alpha-ionone 127-51-5|Isomethyl-alpha-ionone|204-846-3|3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-|3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one|alpha-Cetone|alpha-Ionone, isomethyl-|alpha-Isomethylionone|Cetone alpha|EC No.: 204-846-3|EINECS 204-846-3|FEMA No. 2714|Isomethyl-a-ionone|Methyl-alpha-isoionone|NSC 66432|UNII-9XP4LC555B|a-Cetone|a-Ionone, isomethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027047
ERPathway2016 ERPathway2016_346 Isomethyl-alpha-ionone 127-51-5 DTXSID7027047 R6 ER Pathway Model, Antagonist AC50 18.7250137139806 uM CC(=O)C(C)=CC1C(C)=CCCC1(C)C Isomethyl-alpha-ionone 127-51-5|Isomethyl-alpha-ionone|204-846-3|3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-|3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one|alpha-Cetone|alpha-Ionone, isomethyl-|alpha-Isomethylionone|Cetone alpha|EC No.: 204-846-3|EINECS 204-846-3|FEMA No. 2714|Isomethyl-a-ionone|Methyl-alpha-isoionone|NSC 66432|UNII-9XP4LC555B|a-Cetone|a-Ionone, isomethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027047
ERPathway2016 ERPathway2016_346 Isomethyl-alpha-ionone 127-51-5 DTXSID7027047 R6 ER Pathway Model, Antagonist ACC 13.5084895145576 uM CC(=O)C(C)=CC1C(C)=CCCC1(C)C Isomethyl-alpha-ionone 127-51-5|Isomethyl-alpha-ionone|204-846-3|3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-|3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one|alpha-Cetone|alpha-Ionone, isomethyl-|alpha-Isomethylionone|Cetone alpha|EC No.: 204-846-3|EINECS 204-846-3|FEMA No. 2714|Isomethyl-a-ionone|Methyl-alpha-isoionone|NSC 66432|UNII-9XP4LC555B|a-Cetone|a-Ionone, isomethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027047
ERPathway2016 ERPathway2016_346 Isomethyl-alpha-ionone 127-51-5 DTXSID7027047 R6 ER Pathway Model, Agonist Model Score 0.0185 Unitless CC(=O)C(C)=CC1C(C)=CCCC1(C)C Isomethyl-alpha-ionone 127-51-5|Isomethyl-alpha-ionone|204-846-3|3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-|3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one|alpha-Cetone|alpha-Ionone, isomethyl-|alpha-Isomethylionone|Cetone alpha|EC No.: 204-846-3|EINECS 204-846-3|FEMA No. 2714|Isomethyl-a-ionone|Methyl-alpha-isoionone|NSC 66432|UNII-9XP4LC555B|a-Cetone|a-Ionone, isomethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027047
ERPathway2016 ERPathway2016_346 Isomethyl-alpha-ionone 127-51-5 DTXSID7027047 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C(C)=CC1C(C)=CCCC1(C)C Isomethyl-alpha-ionone 127-51-5|Isomethyl-alpha-ionone|204-846-3|3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-|3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one|alpha-Cetone|alpha-Ionone, isomethyl-|alpha-Isomethylionone|Cetone alpha|EC No.: 204-846-3|EINECS 204-846-3|FEMA No. 2714|Isomethyl-a-ionone|Methyl-alpha-isoionone|NSC 66432|UNII-9XP4LC555B|a-Cetone|a-Ionone, isomethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027047
ERPathway2016 ERPathway2016_346 Isomethyl-alpha-ionone 127-51-5 DTXSID7027047 R6 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)C(C)=CC1C(C)=CCCC1(C)C Isomethyl-alpha-ionone 127-51-5|Isomethyl-alpha-ionone|204-846-3|3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-|3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one|alpha-Cetone|alpha-Ionone, isomethyl-|alpha-Isomethylionone|Cetone alpha|EC No.: 204-846-3|EINECS 204-846-3|FEMA No. 2714|Isomethyl-a-ionone|Methyl-alpha-isoionone|NSC 66432|UNII-9XP4LC555B|a-Cetone|a-Ionone, isomethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027047
ERPathway2016 ERPathway2016_346 Isomethyl-alpha-ionone 127-51-5 DTXSID7027047 R6 ER Pathway Model, Antagonist Call Active Unitless CC(=O)C(C)=CC1C(C)=CCCC1(C)C Isomethyl-alpha-ionone 127-51-5|Isomethyl-alpha-ionone|204-846-3|3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-|3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one|4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one|alpha-Cetone|alpha-Ionone, isomethyl-|alpha-Isomethylionone|Cetone alpha|EC No.: 204-846-3|EINECS 204-846-3|FEMA No. 2714|Isomethyl-a-ionone|Methyl-alpha-isoionone|NSC 66432|UNII-9XP4LC555B|a-Cetone|a-Ionone, isomethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027047
ARPathway2016 ARPathway2016_1312 Isoniazid 54-85-3 DTXSID8020755 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NNC(=O)C1=CC=NC=C1 Isoniazid 54-85-3|Isoniazid|[(4-Pyridinylcarbonyl)oxy]hydrazine|4-(Hydrazinocarbonyl)pyridine|4-pyridinecarbohydrazide|4-Pyridinecarbonylhydrazine|4-Pyridinecarboxylic acid hydrazide|4-Pyridinecarboxylic acid hydrazine|4-Pyridinecarboxylic acid, hydrazide|4-Pyridinecarboxylic hydrazide|4-Pyridylcarbonylhydrazide|Andrazide|Antimicina|Antituberkulosum|Armazid|Armazide|Atcotibine|Cedin|Cemidon|Chemiazid|Chemidon|Cotinazin|Defonin|Dianicotyl|Diforin|Dinacrin|Ditubin|Dow-isoniazid|Ebidene|EINECS 200-214-6|Ertuban|Eutizon|Fimalene|Hidranizil|Hidrasonil|Hidrulta|Hycozid|Hydrazid|Hydrazide|Ido-tebin|Idrazide dell'acido isonicotinico|Idrazil|INH|Inh-Burgthal|Iscotin|Isidrina|Ismazide|Isobicina|Isocidene|Isocotin|Isohydrazide|Isonerit|Isoniazid SA|isoniazida|Isoniazide|Isoniazidum|Isonicid|Isonico|Isonicotan|Isonicotil|Isonicotinhydrazid|ISONICOTINIC ACID HYDRAZIDE|Isonicotinic hydrazide|Isonicotinohydrazide|Isonicotinoyl hydrazide|isonicotinoylhydrazide|Isonicotinoylhydrazine|ISONICOTINSAEURE-HYDRAZID|Isonicotinsaeurehydrazid|Isonicotinyl hydraz|37271-10-6|41466-07-3|62229-51-0|7640-37-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020755 https://doi.org/10.22427/NTP-DATA-DTXSID8020755
ARPathway2016 ARPathway2016_1312 Isoniazid 54-85-3 DTXSID8020755 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NNC(=O)C1=CC=NC=C1 Isoniazid 54-85-3|Isoniazid|[(4-Pyridinylcarbonyl)oxy]hydrazine|4-(Hydrazinocarbonyl)pyridine|4-pyridinecarbohydrazide|4-Pyridinecarbonylhydrazine|4-Pyridinecarboxylic acid hydrazide|4-Pyridinecarboxylic acid hydrazine|4-Pyridinecarboxylic acid, hydrazide|4-Pyridinecarboxylic hydrazide|4-Pyridylcarbonylhydrazide|Andrazide|Antimicina|Antituberkulosum|Armazid|Armazide|Atcotibine|Cedin|Cemidon|Chemiazid|Chemidon|Cotinazin|Defonin|Dianicotyl|Diforin|Dinacrin|Ditubin|Dow-isoniazid|Ebidene|EINECS 200-214-6|Ertuban|Eutizon|Fimalene|Hidranizil|Hidrasonil|Hidrulta|Hycozid|Hydrazid|Hydrazide|Ido-tebin|Idrazide dell'acido isonicotinico|Idrazil|INH|Inh-Burgthal|Iscotin|Isidrina|Ismazide|Isobicina|Isocidene|Isocotin|Isohydrazide|Isonerit|Isoniazid SA|isoniazida|Isoniazide|Isoniazidum|Isonicid|Isonico|Isonicotan|Isonicotil|Isonicotinhydrazid|ISONICOTINIC ACID HYDRAZIDE|Isonicotinic hydrazide|Isonicotinohydrazide|Isonicotinoyl hydrazide|isonicotinoylhydrazide|Isonicotinoylhydrazine|ISONICOTINSAEURE-HYDRAZID|Isonicotinsaeurehydrazid|Isonicotinyl hydraz|37271-10-6|41466-07-3|62229-51-0|7640-37-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020755 https://doi.org/10.22427/NTP-DATA-DTXSID8020755
ARPathway2016 ARPathway2016_1312 Isoniazid 54-85-3 DTXSID8020755 0.0 AR Pathway Model, Agonist Call Inactive Unitless NNC(=O)C1=CC=NC=C1 Isoniazid 54-85-3|Isoniazid|[(4-Pyridinylcarbonyl)oxy]hydrazine|4-(Hydrazinocarbonyl)pyridine|4-pyridinecarbohydrazide|4-Pyridinecarbonylhydrazine|4-Pyridinecarboxylic acid hydrazide|4-Pyridinecarboxylic acid hydrazine|4-Pyridinecarboxylic acid, hydrazide|4-Pyridinecarboxylic hydrazide|4-Pyridylcarbonylhydrazide|Andrazide|Antimicina|Antituberkulosum|Armazid|Armazide|Atcotibine|Cedin|Cemidon|Chemiazid|Chemidon|Cotinazin|Defonin|Dianicotyl|Diforin|Dinacrin|Ditubin|Dow-isoniazid|Ebidene|EINECS 200-214-6|Ertuban|Eutizon|Fimalene|Hidranizil|Hidrasonil|Hidrulta|Hycozid|Hydrazid|Hydrazide|Ido-tebin|Idrazide dell'acido isonicotinico|Idrazil|INH|Inh-Burgthal|Iscotin|Isidrina|Ismazide|Isobicina|Isocidene|Isocotin|Isohydrazide|Isonerit|Isoniazid SA|isoniazida|Isoniazide|Isoniazidum|Isonicid|Isonico|Isonicotan|Isonicotil|Isonicotinhydrazid|ISONICOTINIC ACID HYDRAZIDE|Isonicotinic hydrazide|Isonicotinohydrazide|Isonicotinoyl hydrazide|isonicotinoylhydrazide|Isonicotinoylhydrazine|ISONICOTINSAEURE-HYDRAZID|Isonicotinsaeurehydrazid|Isonicotinyl hydraz|37271-10-6|41466-07-3|62229-51-0|7640-37-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020755 https://doi.org/10.22427/NTP-DATA-DTXSID8020755
ARPathway2016 ARPathway2016_1312 Isoniazid 54-85-3 DTXSID8020755 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NNC(=O)C1=CC=NC=C1 Isoniazid 54-85-3|Isoniazid|[(4-Pyridinylcarbonyl)oxy]hydrazine|4-(Hydrazinocarbonyl)pyridine|4-pyridinecarbohydrazide|4-Pyridinecarbonylhydrazine|4-Pyridinecarboxylic acid hydrazide|4-Pyridinecarboxylic acid hydrazine|4-Pyridinecarboxylic acid, hydrazide|4-Pyridinecarboxylic hydrazide|4-Pyridylcarbonylhydrazide|Andrazide|Antimicina|Antituberkulosum|Armazid|Armazide|Atcotibine|Cedin|Cemidon|Chemiazid|Chemidon|Cotinazin|Defonin|Dianicotyl|Diforin|Dinacrin|Ditubin|Dow-isoniazid|Ebidene|EINECS 200-214-6|Ertuban|Eutizon|Fimalene|Hidranizil|Hidrasonil|Hidrulta|Hycozid|Hydrazid|Hydrazide|Ido-tebin|Idrazide dell'acido isonicotinico|Idrazil|INH|Inh-Burgthal|Iscotin|Isidrina|Ismazide|Isobicina|Isocidene|Isocotin|Isohydrazide|Isonerit|Isoniazid SA|isoniazida|Isoniazide|Isoniazidum|Isonicid|Isonico|Isonicotan|Isonicotil|Isonicotinhydrazid|ISONICOTINIC ACID HYDRAZIDE|Isonicotinic hydrazide|Isonicotinohydrazide|Isonicotinoyl hydrazide|isonicotinoylhydrazide|Isonicotinoylhydrazine|ISONICOTINSAEURE-HYDRAZID|Isonicotinsaeurehydrazid|Isonicotinyl hydraz|37271-10-6|41466-07-3|62229-51-0|7640-37-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020755 https://doi.org/10.22427/NTP-DATA-DTXSID8020755
ERPathway2016 ERPathway2016_984 Isoniazid 54-85-3 DTXSID8020755 ER Pathway Model, Agonist Model Score 0 Unitless NNC(=O)C1=CC=NC=C1 Isoniazid 54-85-3|Isoniazid|[(4-Pyridinylcarbonyl)oxy]hydrazine|4-(Hydrazinocarbonyl)pyridine|4-pyridinecarbohydrazide|4-Pyridinecarbonylhydrazine|4-Pyridinecarboxylic acid hydrazide|4-Pyridinecarboxylic acid hydrazine|4-Pyridinecarboxylic acid, hydrazide|4-Pyridinecarboxylic hydrazide|4-Pyridylcarbonylhydrazide|Andrazide|Antimicina|Antituberkulosum|Armazid|Armazide|Atcotibine|Cedin|Cemidon|Chemiazid|Chemidon|Cotinazin|Defonin|Dianicotyl|Diforin|Dinacrin|Ditubin|Dow-isoniazid|Ebidene|EINECS 200-214-6|Ertuban|Eutizon|Fimalene|Hidranizil|Hidrasonil|Hidrulta|Hycozid|Hydrazid|Hydrazide|Ido-tebin|Idrazide dell'acido isonicotinico|Idrazil|INH|Inh-Burgthal|Iscotin|Isidrina|Ismazide|Isobicina|Isocidene|Isocotin|Isohydrazide|Isonerit|Isoniazid SA|isoniazida|Isoniazide|Isoniazidum|Isonicid|Isonico|Isonicotan|Isonicotil|Isonicotinhydrazid|ISONICOTINIC ACID HYDRAZIDE|Isonicotinic hydrazide|Isonicotinohydrazide|Isonicotinoyl hydrazide|isonicotinoylhydrazide|Isonicotinoylhydrazine|ISONICOTINSAEURE-HYDRAZID|Isonicotinsaeurehydrazid|Isonicotinyl hydraz|37271-10-6|41466-07-3|62229-51-0|7640-37-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020755 https://doi.org/10.22427/NTP-DATA-DTXSID8020755
ERPathway2016 ERPathway2016_984 Isoniazid 54-85-3 DTXSID8020755 ER Pathway Model, Antagonist Model Score 0 Unitless NNC(=O)C1=CC=NC=C1 Isoniazid 54-85-3|Isoniazid|[(4-Pyridinylcarbonyl)oxy]hydrazine|4-(Hydrazinocarbonyl)pyridine|4-pyridinecarbohydrazide|4-Pyridinecarbonylhydrazine|4-Pyridinecarboxylic acid hydrazide|4-Pyridinecarboxylic acid hydrazine|4-Pyridinecarboxylic acid, hydrazide|4-Pyridinecarboxylic hydrazide|4-Pyridylcarbonylhydrazide|Andrazide|Antimicina|Antituberkulosum|Armazid|Armazide|Atcotibine|Cedin|Cemidon|Chemiazid|Chemidon|Cotinazin|Defonin|Dianicotyl|Diforin|Dinacrin|Ditubin|Dow-isoniazid|Ebidene|EINECS 200-214-6|Ertuban|Eutizon|Fimalene|Hidranizil|Hidrasonil|Hidrulta|Hycozid|Hydrazid|Hydrazide|Ido-tebin|Idrazide dell'acido isonicotinico|Idrazil|INH|Inh-Burgthal|Iscotin|Isidrina|Ismazide|Isobicina|Isocidene|Isocotin|Isohydrazide|Isonerit|Isoniazid SA|isoniazida|Isoniazide|Isoniazidum|Isonicid|Isonico|Isonicotan|Isonicotil|Isonicotinhydrazid|ISONICOTINIC ACID HYDRAZIDE|Isonicotinic hydrazide|Isonicotinohydrazide|Isonicotinoyl hydrazide|isonicotinoylhydrazide|Isonicotinoylhydrazine|ISONICOTINSAEURE-HYDRAZID|Isonicotinsaeurehydrazid|Isonicotinyl hydraz|37271-10-6|41466-07-3|62229-51-0|7640-37-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020755 https://doi.org/10.22427/NTP-DATA-DTXSID8020755
ERPathway2016 ERPathway2016_984 Isoniazid 54-85-3 DTXSID8020755 ER Pathway Model, Agonist Call Inactive Unitless NNC(=O)C1=CC=NC=C1 Isoniazid 54-85-3|Isoniazid|[(4-Pyridinylcarbonyl)oxy]hydrazine|4-(Hydrazinocarbonyl)pyridine|4-pyridinecarbohydrazide|4-Pyridinecarbonylhydrazine|4-Pyridinecarboxylic acid hydrazide|4-Pyridinecarboxylic acid hydrazine|4-Pyridinecarboxylic acid, hydrazide|4-Pyridinecarboxylic hydrazide|4-Pyridylcarbonylhydrazide|Andrazide|Antimicina|Antituberkulosum|Armazid|Armazide|Atcotibine|Cedin|Cemidon|Chemiazid|Chemidon|Cotinazin|Defonin|Dianicotyl|Diforin|Dinacrin|Ditubin|Dow-isoniazid|Ebidene|EINECS 200-214-6|Ertuban|Eutizon|Fimalene|Hidranizil|Hidrasonil|Hidrulta|Hycozid|Hydrazid|Hydrazide|Ido-tebin|Idrazide dell'acido isonicotinico|Idrazil|INH|Inh-Burgthal|Iscotin|Isidrina|Ismazide|Isobicina|Isocidene|Isocotin|Isohydrazide|Isonerit|Isoniazid SA|isoniazida|Isoniazide|Isoniazidum|Isonicid|Isonico|Isonicotan|Isonicotil|Isonicotinhydrazid|ISONICOTINIC ACID HYDRAZIDE|Isonicotinic hydrazide|Isonicotinohydrazide|Isonicotinoyl hydrazide|isonicotinoylhydrazide|Isonicotinoylhydrazine|ISONICOTINSAEURE-HYDRAZID|Isonicotinsaeurehydrazid|Isonicotinyl hydraz|37271-10-6|41466-07-3|62229-51-0|7640-37-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020755 https://doi.org/10.22427/NTP-DATA-DTXSID8020755
ERPathway2016 ERPathway2016_984 Isoniazid 54-85-3 DTXSID8020755 ER Pathway Model, Antagonist Call Inactive Unitless NNC(=O)C1=CC=NC=C1 Isoniazid 54-85-3|Isoniazid|[(4-Pyridinylcarbonyl)oxy]hydrazine|4-(Hydrazinocarbonyl)pyridine|4-pyridinecarbohydrazide|4-Pyridinecarbonylhydrazine|4-Pyridinecarboxylic acid hydrazide|4-Pyridinecarboxylic acid hydrazine|4-Pyridinecarboxylic acid, hydrazide|4-Pyridinecarboxylic hydrazide|4-Pyridylcarbonylhydrazide|Andrazide|Antimicina|Antituberkulosum|Armazid|Armazide|Atcotibine|Cedin|Cemidon|Chemiazid|Chemidon|Cotinazin|Defonin|Dianicotyl|Diforin|Dinacrin|Ditubin|Dow-isoniazid|Ebidene|EINECS 200-214-6|Ertuban|Eutizon|Fimalene|Hidranizil|Hidrasonil|Hidrulta|Hycozid|Hydrazid|Hydrazide|Ido-tebin|Idrazide dell'acido isonicotinico|Idrazil|INH|Inh-Burgthal|Iscotin|Isidrina|Ismazide|Isobicina|Isocidene|Isocotin|Isohydrazide|Isonerit|Isoniazid SA|isoniazida|Isoniazide|Isoniazidum|Isonicid|Isonico|Isonicotan|Isonicotil|Isonicotinhydrazid|ISONICOTINIC ACID HYDRAZIDE|Isonicotinic hydrazide|Isonicotinohydrazide|Isonicotinoyl hydrazide|isonicotinoylhydrazide|Isonicotinoylhydrazine|ISONICOTINSAEURE-HYDRAZID|Isonicotinsaeurehydrazid|Isonicotinyl hydraz|37271-10-6|41466-07-3|62229-51-0|7640-37-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020755 https://doi.org/10.22427/NTP-DATA-DTXSID8020755
ARPathway2016 ARPathway2016_1127 Isooctadecanoic acid 30399-84-9 DTXSID2027963 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Isooctadecanoic acid 30399-84-9|Isooctadecanoic acid|875D|Acide isooctadecanoique|acido isooctadecanoico|Century 1105|Century 1107|EINECS 250-178-0|Emasol 873|Emersol 871|Emersol 874|Emersol 875|Emery 871|Emery 875D|FATTY ACID (C18), BRANCHED|Fine Oxocol 1800 Acid|Haimaric MKH(R)|iso-octadecanoic acid|Isooctadecansaure|Isostearic acid|Isostearic acid 873|Isostearic acid EX|Jaric I 18CG|Jaric I 18IG|Prisorin ISAC 3505|Prisorine 3501|Prisorine 3502|Prisorine 3503|Prisorine 3505|Prisorine 3508|Radiacid 909|UCN 96.319|Unimac 5680|126539-56-8|135152-99-7|57485-56-0|85404-83-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027963
ARPathway2016 ARPathway2016_1127 Isooctadecanoic acid 30399-84-9 DTXSID2027963 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Isooctadecanoic acid 30399-84-9|Isooctadecanoic acid|875D|Acide isooctadecanoique|acido isooctadecanoico|Century 1105|Century 1107|EINECS 250-178-0|Emasol 873|Emersol 871|Emersol 874|Emersol 875|Emery 871|Emery 875D|FATTY ACID (C18), BRANCHED|Fine Oxocol 1800 Acid|Haimaric MKH(R)|iso-octadecanoic acid|Isooctadecansaure|Isostearic acid|Isostearic acid 873|Isostearic acid EX|Jaric I 18CG|Jaric I 18IG|Prisorin ISAC 3505|Prisorine 3501|Prisorine 3502|Prisorine 3503|Prisorine 3505|Prisorine 3508|Radiacid 909|UCN 96.319|Unimac 5680|126539-56-8|135152-99-7|57485-56-0|85404-83-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027963
ARPathway2016 ARPathway2016_1127 Isooctadecanoic acid 30399-84-9 DTXSID2027963 0.0 AR Pathway Model, Agonist Call Inactive Unitless Isooctadecanoic acid 30399-84-9|Isooctadecanoic acid|875D|Acide isooctadecanoique|acido isooctadecanoico|Century 1105|Century 1107|EINECS 250-178-0|Emasol 873|Emersol 871|Emersol 874|Emersol 875|Emery 871|Emery 875D|FATTY ACID (C18), BRANCHED|Fine Oxocol 1800 Acid|Haimaric MKH(R)|iso-octadecanoic acid|Isooctadecansaure|Isostearic acid|Isostearic acid 873|Isostearic acid EX|Jaric I 18CG|Jaric I 18IG|Prisorin ISAC 3505|Prisorine 3501|Prisorine 3502|Prisorine 3503|Prisorine 3505|Prisorine 3508|Radiacid 909|UCN 96.319|Unimac 5680|126539-56-8|135152-99-7|57485-56-0|85404-83-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027963
ARPathway2016 ARPathway2016_1127 Isooctadecanoic acid 30399-84-9 DTXSID2027963 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Isooctadecanoic acid 30399-84-9|Isooctadecanoic acid|875D|Acide isooctadecanoique|acido isooctadecanoico|Century 1105|Century 1107|EINECS 250-178-0|Emasol 873|Emersol 871|Emersol 874|Emersol 875|Emery 871|Emery 875D|FATTY ACID (C18), BRANCHED|Fine Oxocol 1800 Acid|Haimaric MKH(R)|iso-octadecanoic acid|Isooctadecansaure|Isostearic acid|Isostearic acid 873|Isostearic acid EX|Jaric I 18CG|Jaric I 18IG|Prisorin ISAC 3505|Prisorine 3501|Prisorine 3502|Prisorine 3503|Prisorine 3505|Prisorine 3508|Radiacid 909|UCN 96.319|Unimac 5680|126539-56-8|135152-99-7|57485-56-0|85404-83-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027963
ERPathway2016 ERPathway2016_887 Isooctadecanoic acid 30399-84-9 DTXSID2027963 ER Pathway Model, Agonist Model Score 0 Unitless Isooctadecanoic acid 30399-84-9|Isooctadecanoic acid|875D|Acide isooctadecanoique|acido isooctadecanoico|Century 1105|Century 1107|EINECS 250-178-0|Emasol 873|Emersol 871|Emersol 874|Emersol 875|Emery 871|Emery 875D|FATTY ACID (C18), BRANCHED|Fine Oxocol 1800 Acid|Haimaric MKH(R)|iso-octadecanoic acid|Isooctadecansaure|Isostearic acid|Isostearic acid 873|Isostearic acid EX|Jaric I 18CG|Jaric I 18IG|Prisorin ISAC 3505|Prisorine 3501|Prisorine 3502|Prisorine 3503|Prisorine 3505|Prisorine 3508|Radiacid 909|UCN 96.319|Unimac 5680|126539-56-8|135152-99-7|57485-56-0|85404-83-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027963
ERPathway2016 ERPathway2016_887 Isooctadecanoic acid 30399-84-9 DTXSID2027963 ER Pathway Model, Antagonist Model Score 0 Unitless Isooctadecanoic acid 30399-84-9|Isooctadecanoic acid|875D|Acide isooctadecanoique|acido isooctadecanoico|Century 1105|Century 1107|EINECS 250-178-0|Emasol 873|Emersol 871|Emersol 874|Emersol 875|Emery 871|Emery 875D|FATTY ACID (C18), BRANCHED|Fine Oxocol 1800 Acid|Haimaric MKH(R)|iso-octadecanoic acid|Isooctadecansaure|Isostearic acid|Isostearic acid 873|Isostearic acid EX|Jaric I 18CG|Jaric I 18IG|Prisorin ISAC 3505|Prisorine 3501|Prisorine 3502|Prisorine 3503|Prisorine 3505|Prisorine 3508|Radiacid 909|UCN 96.319|Unimac 5680|126539-56-8|135152-99-7|57485-56-0|85404-83-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027963
ERPathway2016 ERPathway2016_887 Isooctadecanoic acid 30399-84-9 DTXSID2027963 ER Pathway Model, Agonist Call Inactive Unitless Isooctadecanoic acid 30399-84-9|Isooctadecanoic acid|875D|Acide isooctadecanoique|acido isooctadecanoico|Century 1105|Century 1107|EINECS 250-178-0|Emasol 873|Emersol 871|Emersol 874|Emersol 875|Emery 871|Emery 875D|FATTY ACID (C18), BRANCHED|Fine Oxocol 1800 Acid|Haimaric MKH(R)|iso-octadecanoic acid|Isooctadecansaure|Isostearic acid|Isostearic acid 873|Isostearic acid EX|Jaric I 18CG|Jaric I 18IG|Prisorin ISAC 3505|Prisorine 3501|Prisorine 3502|Prisorine 3503|Prisorine 3505|Prisorine 3508|Radiacid 909|UCN 96.319|Unimac 5680|126539-56-8|135152-99-7|57485-56-0|85404-83-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027963
ERPathway2016 ERPathway2016_887 Isooctadecanoic acid 30399-84-9 DTXSID2027963 ER Pathway Model, Antagonist Call Inactive Unitless Isooctadecanoic acid 30399-84-9|Isooctadecanoic acid|875D|Acide isooctadecanoique|acido isooctadecanoico|Century 1105|Century 1107|EINECS 250-178-0|Emasol 873|Emersol 871|Emersol 874|Emersol 875|Emery 871|Emery 875D|FATTY ACID (C18), BRANCHED|Fine Oxocol 1800 Acid|Haimaric MKH(R)|iso-octadecanoic acid|Isooctadecansaure|Isostearic acid|Isostearic acid 873|Isostearic acid EX|Jaric I 18CG|Jaric I 18IG|Prisorin ISAC 3505|Prisorine 3501|Prisorine 3502|Prisorine 3503|Prisorine 3505|Prisorine 3508|Radiacid 909|UCN 96.319|Unimac 5680|126539-56-8|135152-99-7|57485-56-0|85404-83-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027963
ARPathway2016 ARPathway2016_1117 Isooctyl acrylate 29590-42-9 DTXSID8027955 True antagonist shift (No hit/Hit) 3.0 AR Pathway Model, Antagonist Model Score 0 Unitless Isooctyl acrylate 29590-42-9|Isooctyl acrylate|2-Propenoic acid, isooctyl ester|Acrylic acid, isooctyl ester|EINECS 249-707-8|UNII-GU1V16S82F|159474-76-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027955
ARPathway2016 ARPathway2016_1117 Isooctyl acrylate 29590-42-9 DTXSID8027955 True antagonist shift (No hit/Hit) 3.0 AR Pathway Model, Agonist Model Score 0 Unitless Isooctyl acrylate 29590-42-9|Isooctyl acrylate|2-Propenoic acid, isooctyl ester|Acrylic acid, isooctyl ester|EINECS 249-707-8|UNII-GU1V16S82F|159474-76-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027955
ARPathway2016 ARPathway2016_1117 Isooctyl acrylate 29590-42-9 DTXSID8027955 True antagonist shift (No hit/Hit) 3.0 AR Pathway Model, Agonist Call Inactive Unitless Isooctyl acrylate 29590-42-9|Isooctyl acrylate|2-Propenoic acid, isooctyl ester|Acrylic acid, isooctyl ester|EINECS 249-707-8|UNII-GU1V16S82F|159474-76-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027955
ARPathway2016 ARPathway2016_1117 Isooctyl acrylate 29590-42-9 DTXSID8027955 True antagonist shift (No hit/Hit) 3.0 AR Pathway Model, Antagonist Call Inactive Unitless Isooctyl acrylate 29590-42-9|Isooctyl acrylate|2-Propenoic acid, isooctyl ester|Acrylic acid, isooctyl ester|EINECS 249-707-8|UNII-GU1V16S82F|159474-76-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027955
ERPathway2016 ERPathway2016_1436 Isooctyl acrylate 29590-42-9 DTXSID8027955 ER Pathway Model, Agonist Model Score 0 Unitless Isooctyl acrylate 29590-42-9|Isooctyl acrylate|2-Propenoic acid, isooctyl ester|Acrylic acid, isooctyl ester|EINECS 249-707-8|UNII-GU1V16S82F|159474-76-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027955
ERPathway2016 ERPathway2016_1436 Isooctyl acrylate 29590-42-9 DTXSID8027955 ER Pathway Model, Antagonist Model Score 0 Unitless Isooctyl acrylate 29590-42-9|Isooctyl acrylate|2-Propenoic acid, isooctyl ester|Acrylic acid, isooctyl ester|EINECS 249-707-8|UNII-GU1V16S82F|159474-76-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027955
ERPathway2016 ERPathway2016_1436 Isooctyl acrylate 29590-42-9 DTXSID8027955 ER Pathway Model, Agonist Call Inactive Unitless Isooctyl acrylate 29590-42-9|Isooctyl acrylate|2-Propenoic acid, isooctyl ester|Acrylic acid, isooctyl ester|EINECS 249-707-8|UNII-GU1V16S82F|159474-76-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027955
ERPathway2016 ERPathway2016_1436 Isooctyl acrylate 29590-42-9 DTXSID8027955 ER Pathway Model, Antagonist Call Inactive Unitless Isooctyl acrylate 29590-42-9|Isooctyl acrylate|2-Propenoic acid, isooctyl ester|Acrylic acid, isooctyl ester|EINECS 249-707-8|UNII-GU1V16S82F|159474-76-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027955
ARPathway2016 ARPathway2016_722 Isopentyl alcohol 123-51-3 DTXSID3025469 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)CCO Isopentyl alcohol 123-51-3|Isopentyl alcohol|1-Butanol, 3-methyl-|1-Hydroxy-3-methylbutane|2-Methyl-4-butanol|3-Methyl-1-butanol|3-Methyl-butan-(1)-ol|3-Methyl-butane-1-ol|3-Methyl-Butanol|3-Methylbutan-1-ol|3-methylbutane-1-ol|3-MethylbutanoI|3-Methylbutanol|3-Methylbutyl alcohol|3-Metil-butanolo|3-metilbutan-1-ol|Alcool amilico|alcool isoamylique|Amylowy alkohol|Butan-1-ol, 3-methyl|BUTAN-1-OL, 3-METHYL-|Butanol, 3-methyl-|EINECS 204-633-5|FEMA No. 2057|FEMA Number 2057|Fermentation amyl alcohol|Fusel oil|i-amyl alcohol|iso-Amyl alcohol|Iso-amylalkohol|iso-Pentanol|ISOAMYL ALCOHOL|Isoamyl alcohol (3-methyl butanol)|Isoamyl alcohol (natural)|Isoamyl alkohol|Isoamylalcohol|Isoamylol|Isobutyl carbinol|isobutylcarbinol|isopentan-1-ol|Isopentanol|Isopentylalkohol|Methyl-3-butan-1-ol|NSC 1029|NSC 7905|primary isoamyl alcohol|UNII-DEM9NIT1J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025469
ARPathway2016 ARPathway2016_722 Isopentyl alcohol 123-51-3 DTXSID3025469 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)CCO Isopentyl alcohol 123-51-3|Isopentyl alcohol|1-Butanol, 3-methyl-|1-Hydroxy-3-methylbutane|2-Methyl-4-butanol|3-Methyl-1-butanol|3-Methyl-butan-(1)-ol|3-Methyl-butane-1-ol|3-Methyl-Butanol|3-Methylbutan-1-ol|3-methylbutane-1-ol|3-MethylbutanoI|3-Methylbutanol|3-Methylbutyl alcohol|3-Metil-butanolo|3-metilbutan-1-ol|Alcool amilico|alcool isoamylique|Amylowy alkohol|Butan-1-ol, 3-methyl|BUTAN-1-OL, 3-METHYL-|Butanol, 3-methyl-|EINECS 204-633-5|FEMA No. 2057|FEMA Number 2057|Fermentation amyl alcohol|Fusel oil|i-amyl alcohol|iso-Amyl alcohol|Iso-amylalkohol|iso-Pentanol|ISOAMYL ALCOHOL|Isoamyl alcohol (3-methyl butanol)|Isoamyl alcohol (natural)|Isoamyl alkohol|Isoamylalcohol|Isoamylol|Isobutyl carbinol|isobutylcarbinol|isopentan-1-ol|Isopentanol|Isopentylalkohol|Methyl-3-butan-1-ol|NSC 1029|NSC 7905|primary isoamyl alcohol|UNII-DEM9NIT1J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025469
ARPathway2016 ARPathway2016_722 Isopentyl alcohol 123-51-3 DTXSID3025469 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)CCO Isopentyl alcohol 123-51-3|Isopentyl alcohol|1-Butanol, 3-methyl-|1-Hydroxy-3-methylbutane|2-Methyl-4-butanol|3-Methyl-1-butanol|3-Methyl-butan-(1)-ol|3-Methyl-butane-1-ol|3-Methyl-Butanol|3-Methylbutan-1-ol|3-methylbutane-1-ol|3-MethylbutanoI|3-Methylbutanol|3-Methylbutyl alcohol|3-Metil-butanolo|3-metilbutan-1-ol|Alcool amilico|alcool isoamylique|Amylowy alkohol|Butan-1-ol, 3-methyl|BUTAN-1-OL, 3-METHYL-|Butanol, 3-methyl-|EINECS 204-633-5|FEMA No. 2057|FEMA Number 2057|Fermentation amyl alcohol|Fusel oil|i-amyl alcohol|iso-Amyl alcohol|Iso-amylalkohol|iso-Pentanol|ISOAMYL ALCOHOL|Isoamyl alcohol (3-methyl butanol)|Isoamyl alcohol (natural)|Isoamyl alkohol|Isoamylalcohol|Isoamylol|Isobutyl carbinol|isobutylcarbinol|isopentan-1-ol|Isopentanol|Isopentylalkohol|Methyl-3-butan-1-ol|NSC 1029|NSC 7905|primary isoamyl alcohol|UNII-DEM9NIT1J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025469
ARPathway2016 ARPathway2016_722 Isopentyl alcohol 123-51-3 DTXSID3025469 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)CCO Isopentyl alcohol 123-51-3|Isopentyl alcohol|1-Butanol, 3-methyl-|1-Hydroxy-3-methylbutane|2-Methyl-4-butanol|3-Methyl-1-butanol|3-Methyl-butan-(1)-ol|3-Methyl-butane-1-ol|3-Methyl-Butanol|3-Methylbutan-1-ol|3-methylbutane-1-ol|3-MethylbutanoI|3-Methylbutanol|3-Methylbutyl alcohol|3-Metil-butanolo|3-metilbutan-1-ol|Alcool amilico|alcool isoamylique|Amylowy alkohol|Butan-1-ol, 3-methyl|BUTAN-1-OL, 3-METHYL-|Butanol, 3-methyl-|EINECS 204-633-5|FEMA No. 2057|FEMA Number 2057|Fermentation amyl alcohol|Fusel oil|i-amyl alcohol|iso-Amyl alcohol|Iso-amylalkohol|iso-Pentanol|ISOAMYL ALCOHOL|Isoamyl alcohol (3-methyl butanol)|Isoamyl alcohol (natural)|Isoamyl alkohol|Isoamylalcohol|Isoamylol|Isobutyl carbinol|isobutylcarbinol|isopentan-1-ol|Isopentanol|Isopentylalkohol|Methyl-3-butan-1-ol|NSC 1029|NSC 7905|primary isoamyl alcohol|UNII-DEM9NIT1J4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3025469
ARPathway2016 ARPathway2016_1741 Isopentyl benzoate 94-46-2 DTXSID8047185 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)CCOC(=O)C1=CC=CC=C1 Isopentyl benzoate 94-46-2|Isopentyl benzoate|1-(3-Methyl)butyl benzoate|3-Methyl-1-butyl benzoate|3-Methylbutyl benzoate|Benzoic acid, 1-(3-methyl)butyl ester|BRN 1946447|EINECS 202-334-4|FEMA No. 2058|Isoamyl benzoate|Isopentyl alcohol, benzoate|NSC 9284|UNII-0AY72CK43K https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047185
ARPathway2016 ARPathway2016_1741 Isopentyl benzoate 94-46-2 DTXSID8047185 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)CCOC(=O)C1=CC=CC=C1 Isopentyl benzoate 94-46-2|Isopentyl benzoate|1-(3-Methyl)butyl benzoate|3-Methyl-1-butyl benzoate|3-Methylbutyl benzoate|Benzoic acid, 1-(3-methyl)butyl ester|BRN 1946447|EINECS 202-334-4|FEMA No. 2058|Isoamyl benzoate|Isopentyl alcohol, benzoate|NSC 9284|UNII-0AY72CK43K https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047185
ARPathway2016 ARPathway2016_1741 Isopentyl benzoate 94-46-2 DTXSID8047185 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)CCOC(=O)C1=CC=CC=C1 Isopentyl benzoate 94-46-2|Isopentyl benzoate|1-(3-Methyl)butyl benzoate|3-Methyl-1-butyl benzoate|3-Methylbutyl benzoate|Benzoic acid, 1-(3-methyl)butyl ester|BRN 1946447|EINECS 202-334-4|FEMA No. 2058|Isoamyl benzoate|Isopentyl alcohol, benzoate|NSC 9284|UNII-0AY72CK43K https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047185
ARPathway2016 ARPathway2016_1741 Isopentyl benzoate 94-46-2 DTXSID8047185 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)CCOC(=O)C1=CC=CC=C1 Isopentyl benzoate 94-46-2|Isopentyl benzoate|1-(3-Methyl)butyl benzoate|3-Methyl-1-butyl benzoate|3-Methylbutyl benzoate|Benzoic acid, 1-(3-methyl)butyl ester|BRN 1946447|EINECS 202-334-4|FEMA No. 2058|Isoamyl benzoate|Isopentyl alcohol, benzoate|NSC 9284|UNII-0AY72CK43K https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047185
ERPathway2016 ERPathway2016_58 Isopentyl benzoate 94-46-2 DTXSID8047185 ER Pathway Model, Agonist AC50 17.7946910382024 uM CC(C)CCOC(=O)C1=CC=CC=C1 Isopentyl benzoate 94-46-2|Isopentyl benzoate|1-(3-Methyl)butyl benzoate|3-Methyl-1-butyl benzoate|3-Methylbutyl benzoate|Benzoic acid, 1-(3-methyl)butyl ester|BRN 1946447|EINECS 202-334-4|FEMA No. 2058|Isoamyl benzoate|Isopentyl alcohol, benzoate|NSC 9284|UNII-0AY72CK43K https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047185
ERPathway2016 ERPathway2016_58 Isopentyl benzoate 94-46-2 DTXSID8047185 ER Pathway Model, Agonist ACC 16.8984162040989 uM CC(C)CCOC(=O)C1=CC=CC=C1 Isopentyl benzoate 94-46-2|Isopentyl benzoate|1-(3-Methyl)butyl benzoate|3-Methyl-1-butyl benzoate|3-Methylbutyl benzoate|Benzoic acid, 1-(3-methyl)butyl ester|BRN 1946447|EINECS 202-334-4|FEMA No. 2058|Isoamyl benzoate|Isopentyl alcohol, benzoate|NSC 9284|UNII-0AY72CK43K https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047185
ERPathway2016 ERPathway2016_58 Isopentyl benzoate 94-46-2 DTXSID8047185 ER Pathway Model, Agonist Model Score 0.00166 Unitless CC(C)CCOC(=O)C1=CC=CC=C1 Isopentyl benzoate 94-46-2|Isopentyl benzoate|1-(3-Methyl)butyl benzoate|3-Methyl-1-butyl benzoate|3-Methylbutyl benzoate|Benzoic acid, 1-(3-methyl)butyl ester|BRN 1946447|EINECS 202-334-4|FEMA No. 2058|Isoamyl benzoate|Isopentyl alcohol, benzoate|NSC 9284|UNII-0AY72CK43K https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047185
ERPathway2016 ERPathway2016_58 Isopentyl benzoate 94-46-2 DTXSID8047185 ER Pathway Model, Antagonist Model Score 0.00371 Unitless CC(C)CCOC(=O)C1=CC=CC=C1 Isopentyl benzoate 94-46-2|Isopentyl benzoate|1-(3-Methyl)butyl benzoate|3-Methyl-1-butyl benzoate|3-Methylbutyl benzoate|Benzoic acid, 1-(3-methyl)butyl ester|BRN 1946447|EINECS 202-334-4|FEMA No. 2058|Isoamyl benzoate|Isopentyl alcohol, benzoate|NSC 9284|UNII-0AY72CK43K https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047185
ERPathway2016 ERPathway2016_58 Isopentyl benzoate 94-46-2 DTXSID8047185 ER Pathway Model, Agonist Call Active Unitless CC(C)CCOC(=O)C1=CC=CC=C1 Isopentyl benzoate 94-46-2|Isopentyl benzoate|1-(3-Methyl)butyl benzoate|3-Methyl-1-butyl benzoate|3-Methylbutyl benzoate|Benzoic acid, 1-(3-methyl)butyl ester|BRN 1946447|EINECS 202-334-4|FEMA No. 2058|Isoamyl benzoate|Isopentyl alcohol, benzoate|NSC 9284|UNII-0AY72CK43K https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047185
ERPathway2016 ERPathway2016_58 Isopentyl benzoate 94-46-2 DTXSID8047185 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)CCOC(=O)C1=CC=CC=C1 Isopentyl benzoate 94-46-2|Isopentyl benzoate|1-(3-Methyl)butyl benzoate|3-Methyl-1-butyl benzoate|3-Methylbutyl benzoate|Benzoic acid, 1-(3-methyl)butyl ester|BRN 1946447|EINECS 202-334-4|FEMA No. 2058|Isoamyl benzoate|Isopentyl alcohol, benzoate|NSC 9284|UNII-0AY72CK43K https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047185
ARPathway2016 ARPathway2016_469 Isopentyl butyrate 106-27-4 DTXSID3042059 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC(=O)OCCC(C)C Isopentyl butyrate 106-27-4|Isopentyl butyrate|3-Methyl-1-butyl butanoate|3-Methylbutyl butanoate|3-Methylbutyl butyrate|BRN 1702557|Butanoic acid, 3-methylbutyl ester|Butyric acid isoamylester|butyric acid isopentyl ester|Butyric acid, isopentyl ester|EINECS 203-380-8|FEMA No. 2060|Isoamyl butanoate|Isoamyl butylate|Isoamyl butyrate|Isoamyl-N-butyrate|Isopentyl alcohol, butyrate|Isopentyl butanoate|Isopentyl-N-butyrate|NSC 6548|UNII-505AFM77VU https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042059
ARPathway2016 ARPathway2016_469 Isopentyl butyrate 106-27-4 DTXSID3042059 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCC(=O)OCCC(C)C Isopentyl butyrate 106-27-4|Isopentyl butyrate|3-Methyl-1-butyl butanoate|3-Methylbutyl butanoate|3-Methylbutyl butyrate|BRN 1702557|Butanoic acid, 3-methylbutyl ester|Butyric acid isoamylester|butyric acid isopentyl ester|Butyric acid, isopentyl ester|EINECS 203-380-8|FEMA No. 2060|Isoamyl butanoate|Isoamyl butylate|Isoamyl butyrate|Isoamyl-N-butyrate|Isopentyl alcohol, butyrate|Isopentyl butanoate|Isopentyl-N-butyrate|NSC 6548|UNII-505AFM77VU https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042059
ARPathway2016 ARPathway2016_469 Isopentyl butyrate 106-27-4 DTXSID3042059 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCC(=O)OCCC(C)C Isopentyl butyrate 106-27-4|Isopentyl butyrate|3-Methyl-1-butyl butanoate|3-Methylbutyl butanoate|3-Methylbutyl butyrate|BRN 1702557|Butanoic acid, 3-methylbutyl ester|Butyric acid isoamylester|butyric acid isopentyl ester|Butyric acid, isopentyl ester|EINECS 203-380-8|FEMA No. 2060|Isoamyl butanoate|Isoamyl butylate|Isoamyl butyrate|Isoamyl-N-butyrate|Isopentyl alcohol, butyrate|Isopentyl butanoate|Isopentyl-N-butyrate|NSC 6548|UNII-505AFM77VU https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042059
ARPathway2016 ARPathway2016_469 Isopentyl butyrate 106-27-4 DTXSID3042059 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCC(=O)OCCC(C)C Isopentyl butyrate 106-27-4|Isopentyl butyrate|3-Methyl-1-butyl butanoate|3-Methylbutyl butanoate|3-Methylbutyl butyrate|BRN 1702557|Butanoic acid, 3-methylbutyl ester|Butyric acid isoamylester|butyric acid isopentyl ester|Butyric acid, isopentyl ester|EINECS 203-380-8|FEMA No. 2060|Isoamyl butanoate|Isoamyl butylate|Isoamyl butyrate|Isoamyl-N-butyrate|Isopentyl alcohol, butyrate|Isopentyl butanoate|Isopentyl-N-butyrate|NSC 6548|UNII-505AFM77VU https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042059
ERPathway2016 ERPathway2016_1086 Isopentyl butyrate 106-27-4 DTXSID3042059 ER Pathway Model, Agonist Model Score 0 Unitless CCCC(=O)OCCC(C)C Isopentyl butyrate 106-27-4|Isopentyl butyrate|3-Methyl-1-butyl butanoate|3-Methylbutyl butanoate|3-Methylbutyl butyrate|BRN 1702557|Butanoic acid, 3-methylbutyl ester|Butyric acid isoamylester|butyric acid isopentyl ester|Butyric acid, isopentyl ester|EINECS 203-380-8|FEMA No. 2060|Isoamyl butanoate|Isoamyl butylate|Isoamyl butyrate|Isoamyl-N-butyrate|Isopentyl alcohol, butyrate|Isopentyl butanoate|Isopentyl-N-butyrate|NSC 6548|UNII-505AFM77VU https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042059
ERPathway2016 ERPathway2016_1086 Isopentyl butyrate 106-27-4 DTXSID3042059 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC(=O)OCCC(C)C Isopentyl butyrate 106-27-4|Isopentyl butyrate|3-Methyl-1-butyl butanoate|3-Methylbutyl butanoate|3-Methylbutyl butyrate|BRN 1702557|Butanoic acid, 3-methylbutyl ester|Butyric acid isoamylester|butyric acid isopentyl ester|Butyric acid, isopentyl ester|EINECS 203-380-8|FEMA No. 2060|Isoamyl butanoate|Isoamyl butylate|Isoamyl butyrate|Isoamyl-N-butyrate|Isopentyl alcohol, butyrate|Isopentyl butanoate|Isopentyl-N-butyrate|NSC 6548|UNII-505AFM77VU https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042059
ERPathway2016 ERPathway2016_1086 Isopentyl butyrate 106-27-4 DTXSID3042059 ER Pathway Model, Agonist Call Inactive Unitless CCCC(=O)OCCC(C)C Isopentyl butyrate 106-27-4|Isopentyl butyrate|3-Methyl-1-butyl butanoate|3-Methylbutyl butanoate|3-Methylbutyl butyrate|BRN 1702557|Butanoic acid, 3-methylbutyl ester|Butyric acid isoamylester|butyric acid isopentyl ester|Butyric acid, isopentyl ester|EINECS 203-380-8|FEMA No. 2060|Isoamyl butanoate|Isoamyl butylate|Isoamyl butyrate|Isoamyl-N-butyrate|Isopentyl alcohol, butyrate|Isopentyl butanoate|Isopentyl-N-butyrate|NSC 6548|UNII-505AFM77VU https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042059
ERPathway2016 ERPathway2016_1086 Isopentyl butyrate 106-27-4 DTXSID3042059 ER Pathway Model, Antagonist Call Inactive Unitless CCCC(=O)OCCC(C)C Isopentyl butyrate 106-27-4|Isopentyl butyrate|3-Methyl-1-butyl butanoate|3-Methylbutyl butanoate|3-Methylbutyl butyrate|BRN 1702557|Butanoic acid, 3-methylbutyl ester|Butyric acid isoamylester|butyric acid isopentyl ester|Butyric acid, isopentyl ester|EINECS 203-380-8|FEMA No. 2060|Isoamyl butanoate|Isoamyl butylate|Isoamyl butyrate|Isoamyl-N-butyrate|Isopentyl alcohol, butyrate|Isopentyl butanoate|Isopentyl-N-butyrate|NSC 6548|UNII-505AFM77VU https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042059
ARPathway2016 ARPathway2016_1574 Isophorone 78-59-1 DTXSID8020759 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(=O)CC(C)(C)C1 Isophorone 78-59-1|Isophorone|1-Cyclohexen-3-one, 1,5,5-trimethyl-|1,1,3-Trimethyl-3-cyclohexene-5-one|1,5,5-Trimethyl-3-oxocyclohexene|1,5,5-Trimethylcyclohexen-3-one|2-Cyclohexen-1-one, 3,5,5-trimethyl-|3,5,5-Trimethyl-2-cyclohexen-1-on|3,5,5-Trimethyl-2-cyclohexen-1-one|3,5,5-Trimethyl-2-cyclohexene-1-one|3,5,5-Trimethyl-2-cyclohexenone|3,5,5-Trimethyl-cyclohex-2-enone|3,5,5-Trimethylcyclohex-2-enon|3,5,5-Trimethylcyclohex-2-enone|3,5,5-Trimetil-2-cicloesen-1-one|3,5,5-trimetilciclohex-2-enona|4-07-00-00165|BRN 1280721|Caswell No. 506|CYCLOHEX-2-EN-1-ONE, 3,5,5-TRIMETHYL-|EINECS 201-126-0|EPA Pesticide Chemical Code 047401|FEMA No. 3553|Isoacetophorone|Isoforon|Isoforone|Isooctopherone|ISOPHORON|Izoforon|NCI-C55618|NSC 403657|NSC 4881|UNII-2BR99VR6WA|a-Isophoron|a-Isophorone https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020759 https://doi.org/10.22427/NTP-DATA-DTXSID8020759
ARPathway2016 ARPathway2016_1574 Isophorone 78-59-1 DTXSID8020759 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(=O)CC(C)(C)C1 Isophorone 78-59-1|Isophorone|1-Cyclohexen-3-one, 1,5,5-trimethyl-|1,1,3-Trimethyl-3-cyclohexene-5-one|1,5,5-Trimethyl-3-oxocyclohexene|1,5,5-Trimethylcyclohexen-3-one|2-Cyclohexen-1-one, 3,5,5-trimethyl-|3,5,5-Trimethyl-2-cyclohexen-1-on|3,5,5-Trimethyl-2-cyclohexen-1-one|3,5,5-Trimethyl-2-cyclohexene-1-one|3,5,5-Trimethyl-2-cyclohexenone|3,5,5-Trimethyl-cyclohex-2-enone|3,5,5-Trimethylcyclohex-2-enon|3,5,5-Trimethylcyclohex-2-enone|3,5,5-Trimetil-2-cicloesen-1-one|3,5,5-trimetilciclohex-2-enona|4-07-00-00165|BRN 1280721|Caswell No. 506|CYCLOHEX-2-EN-1-ONE, 3,5,5-TRIMETHYL-|EINECS 201-126-0|EPA Pesticide Chemical Code 047401|FEMA No. 3553|Isoacetophorone|Isoforon|Isoforone|Isooctopherone|ISOPHORON|Izoforon|NCI-C55618|NSC 403657|NSC 4881|UNII-2BR99VR6WA|a-Isophoron|a-Isophorone https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020759 https://doi.org/10.22427/NTP-DATA-DTXSID8020759
ARPathway2016 ARPathway2016_1574 Isophorone 78-59-1 DTXSID8020759 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(=O)CC(C)(C)C1 Isophorone 78-59-1|Isophorone|1-Cyclohexen-3-one, 1,5,5-trimethyl-|1,1,3-Trimethyl-3-cyclohexene-5-one|1,5,5-Trimethyl-3-oxocyclohexene|1,5,5-Trimethylcyclohexen-3-one|2-Cyclohexen-1-one, 3,5,5-trimethyl-|3,5,5-Trimethyl-2-cyclohexen-1-on|3,5,5-Trimethyl-2-cyclohexen-1-one|3,5,5-Trimethyl-2-cyclohexene-1-one|3,5,5-Trimethyl-2-cyclohexenone|3,5,5-Trimethyl-cyclohex-2-enone|3,5,5-Trimethylcyclohex-2-enon|3,5,5-Trimethylcyclohex-2-enone|3,5,5-Trimetil-2-cicloesen-1-one|3,5,5-trimetilciclohex-2-enona|4-07-00-00165|BRN 1280721|Caswell No. 506|CYCLOHEX-2-EN-1-ONE, 3,5,5-TRIMETHYL-|EINECS 201-126-0|EPA Pesticide Chemical Code 047401|FEMA No. 3553|Isoacetophorone|Isoforon|Isoforone|Isooctopherone|ISOPHORON|Izoforon|NCI-C55618|NSC 403657|NSC 4881|UNII-2BR99VR6WA|a-Isophoron|a-Isophorone https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020759 https://doi.org/10.22427/NTP-DATA-DTXSID8020759
ARPathway2016 ARPathway2016_1574 Isophorone 78-59-1 DTXSID8020759 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(=O)CC(C)(C)C1 Isophorone 78-59-1|Isophorone|1-Cyclohexen-3-one, 1,5,5-trimethyl-|1,1,3-Trimethyl-3-cyclohexene-5-one|1,5,5-Trimethyl-3-oxocyclohexene|1,5,5-Trimethylcyclohexen-3-one|2-Cyclohexen-1-one, 3,5,5-trimethyl-|3,5,5-Trimethyl-2-cyclohexen-1-on|3,5,5-Trimethyl-2-cyclohexen-1-one|3,5,5-Trimethyl-2-cyclohexene-1-one|3,5,5-Trimethyl-2-cyclohexenone|3,5,5-Trimethyl-cyclohex-2-enone|3,5,5-Trimethylcyclohex-2-enon|3,5,5-Trimethylcyclohex-2-enone|3,5,5-Trimetil-2-cicloesen-1-one|3,5,5-trimetilciclohex-2-enona|4-07-00-00165|BRN 1280721|Caswell No. 506|CYCLOHEX-2-EN-1-ONE, 3,5,5-TRIMETHYL-|EINECS 201-126-0|EPA Pesticide Chemical Code 047401|FEMA No. 3553|Isoacetophorone|Isoforon|Isoforone|Isooctopherone|ISOPHORON|Izoforon|NCI-C55618|NSC 403657|NSC 4881|UNII-2BR99VR6WA|a-Isophoron|a-Isophorone https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020759 https://doi.org/10.22427/NTP-DATA-DTXSID8020759
ERPathway2016 ERPathway2016_1663 Isophorone 78-59-1 DTXSID8020759 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(=O)CC(C)(C)C1 Isophorone 78-59-1|Isophorone|1-Cyclohexen-3-one, 1,5,5-trimethyl-|1,1,3-Trimethyl-3-cyclohexene-5-one|1,5,5-Trimethyl-3-oxocyclohexene|1,5,5-Trimethylcyclohexen-3-one|2-Cyclohexen-1-one, 3,5,5-trimethyl-|3,5,5-Trimethyl-2-cyclohexen-1-on|3,5,5-Trimethyl-2-cyclohexen-1-one|3,5,5-Trimethyl-2-cyclohexene-1-one|3,5,5-Trimethyl-2-cyclohexenone|3,5,5-Trimethyl-cyclohex-2-enone|3,5,5-Trimethylcyclohex-2-enon|3,5,5-Trimethylcyclohex-2-enone|3,5,5-Trimetil-2-cicloesen-1-one|3,5,5-trimetilciclohex-2-enona|4-07-00-00165|BRN 1280721|Caswell No. 506|CYCLOHEX-2-EN-1-ONE, 3,5,5-TRIMETHYL-|EINECS 201-126-0|EPA Pesticide Chemical Code 047401|FEMA No. 3553|Isoacetophorone|Isoforon|Isoforone|Isooctopherone|ISOPHORON|Izoforon|NCI-C55618|NSC 403657|NSC 4881|UNII-2BR99VR6WA|a-Isophoron|a-Isophorone https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020759 https://doi.org/10.22427/NTP-DATA-DTXSID8020759
ERPathway2016 ERPathway2016_1663 Isophorone 78-59-1 DTXSID8020759 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(=O)CC(C)(C)C1 Isophorone 78-59-1|Isophorone|1-Cyclohexen-3-one, 1,5,5-trimethyl-|1,1,3-Trimethyl-3-cyclohexene-5-one|1,5,5-Trimethyl-3-oxocyclohexene|1,5,5-Trimethylcyclohexen-3-one|2-Cyclohexen-1-one, 3,5,5-trimethyl-|3,5,5-Trimethyl-2-cyclohexen-1-on|3,5,5-Trimethyl-2-cyclohexen-1-one|3,5,5-Trimethyl-2-cyclohexene-1-one|3,5,5-Trimethyl-2-cyclohexenone|3,5,5-Trimethyl-cyclohex-2-enone|3,5,5-Trimethylcyclohex-2-enon|3,5,5-Trimethylcyclohex-2-enone|3,5,5-Trimetil-2-cicloesen-1-one|3,5,5-trimetilciclohex-2-enona|4-07-00-00165|BRN 1280721|Caswell No. 506|CYCLOHEX-2-EN-1-ONE, 3,5,5-TRIMETHYL-|EINECS 201-126-0|EPA Pesticide Chemical Code 047401|FEMA No. 3553|Isoacetophorone|Isoforon|Isoforone|Isooctopherone|ISOPHORON|Izoforon|NCI-C55618|NSC 403657|NSC 4881|UNII-2BR99VR6WA|a-Isophoron|a-Isophorone https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020759 https://doi.org/10.22427/NTP-DATA-DTXSID8020759
ERPathway2016 ERPathway2016_1663 Isophorone 78-59-1 DTXSID8020759 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(=O)CC(C)(C)C1 Isophorone 78-59-1|Isophorone|1-Cyclohexen-3-one, 1,5,5-trimethyl-|1,1,3-Trimethyl-3-cyclohexene-5-one|1,5,5-Trimethyl-3-oxocyclohexene|1,5,5-Trimethylcyclohexen-3-one|2-Cyclohexen-1-one, 3,5,5-trimethyl-|3,5,5-Trimethyl-2-cyclohexen-1-on|3,5,5-Trimethyl-2-cyclohexen-1-one|3,5,5-Trimethyl-2-cyclohexene-1-one|3,5,5-Trimethyl-2-cyclohexenone|3,5,5-Trimethyl-cyclohex-2-enone|3,5,5-Trimethylcyclohex-2-enon|3,5,5-Trimethylcyclohex-2-enone|3,5,5-Trimetil-2-cicloesen-1-one|3,5,5-trimetilciclohex-2-enona|4-07-00-00165|BRN 1280721|Caswell No. 506|CYCLOHEX-2-EN-1-ONE, 3,5,5-TRIMETHYL-|EINECS 201-126-0|EPA Pesticide Chemical Code 047401|FEMA No. 3553|Isoacetophorone|Isoforon|Isoforone|Isooctopherone|ISOPHORON|Izoforon|NCI-C55618|NSC 403657|NSC 4881|UNII-2BR99VR6WA|a-Isophoron|a-Isophorone https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020759 https://doi.org/10.22427/NTP-DATA-DTXSID8020759
ERPathway2016 ERPathway2016_1663 Isophorone 78-59-1 DTXSID8020759 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(=O)CC(C)(C)C1 Isophorone 78-59-1|Isophorone|1-Cyclohexen-3-one, 1,5,5-trimethyl-|1,1,3-Trimethyl-3-cyclohexene-5-one|1,5,5-Trimethyl-3-oxocyclohexene|1,5,5-Trimethylcyclohexen-3-one|2-Cyclohexen-1-one, 3,5,5-trimethyl-|3,5,5-Trimethyl-2-cyclohexen-1-on|3,5,5-Trimethyl-2-cyclohexen-1-one|3,5,5-Trimethyl-2-cyclohexene-1-one|3,5,5-Trimethyl-2-cyclohexenone|3,5,5-Trimethyl-cyclohex-2-enone|3,5,5-Trimethylcyclohex-2-enon|3,5,5-Trimethylcyclohex-2-enone|3,5,5-Trimetil-2-cicloesen-1-one|3,5,5-trimetilciclohex-2-enona|4-07-00-00165|BRN 1280721|Caswell No. 506|CYCLOHEX-2-EN-1-ONE, 3,5,5-TRIMETHYL-|EINECS 201-126-0|EPA Pesticide Chemical Code 047401|FEMA No. 3553|Isoacetophorone|Isoforon|Isoforone|Isooctopherone|ISOPHORON|Izoforon|NCI-C55618|NSC 403657|NSC 4881|UNII-2BR99VR6WA|a-Isophoron|a-Isophorone https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020759 https://doi.org/10.22427/NTP-DATA-DTXSID8020759
ARPathway2016 ARPathway2016_1193 Isophorone diisocyanate 4098-71-9 DTXSID0023826 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O Isophorone diisocyanate 4098-71-9|Isophorone diisocyanate|1-(Isocyanatomethyl)-5-isocyanato-1,3,3-trimethylcyclohexane|1-Isocyanato-3-(isocyanatomethyl)-3,5,5-trimethylcyclohexane|1-Isocyanato-3,3,5-trimethyl-5-(isocyanatomethyl)cyclohexane|1-Isocyanato-5-(isocyanatomethyl)-3,3,5-trimethylcyclohexane|1,3,3-Trimethyl-1-(isocyanatomethyl)-5-isocyanatocyclohexane|3-(Isocyanatomethyl)-3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl - 3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl-3, 5, 5-trimethylcyclohexylisocyanate|3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanat|3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate|3,3,5-Trimethyl-5-(isocyanatomethyl)cyclohexyl isocyanate|5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane|BRN 2726467|Cyclohexane, 5-isocyanate-1-(isocyanatomethyl)-1,3,3-trimethyl-|CYCLOHEXANE, 5-ISOCYANATO-1-(ISOCYANATOMETHYL)-1, 3,3-TRIMETHYL-|Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-|EINECS 223-861-6|IPDI|isocianato de 3-isocianatometil-3,5|101701-80-8|102771-74-4|105439-02-9|110648-35-6|111093-75-5|1186289-22-4|1199811-14-7|1211316-62-9|124961-52-0|129212-17-5|135454-41-0|146282-59-9|146665-38-5|149579-36-2|1548444-15-0|158750-30-2|1899018-41-7|194936-84-0|1973479-17-2|201046-13-1|26602-93-7|50974-99-7|52985-93-0|63793-40-8|66708-07-4|70936-97-9|74091-63-7|74520-92-6|88778-74-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023826 https://doi.org/10.22427/NTP-DATA-DTXSID0023826
ARPathway2016 ARPathway2016_1193 Isophorone diisocyanate 4098-71-9 DTXSID0023826 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O Isophorone diisocyanate 4098-71-9|Isophorone diisocyanate|1-(Isocyanatomethyl)-5-isocyanato-1,3,3-trimethylcyclohexane|1-Isocyanato-3-(isocyanatomethyl)-3,5,5-trimethylcyclohexane|1-Isocyanato-3,3,5-trimethyl-5-(isocyanatomethyl)cyclohexane|1-Isocyanato-5-(isocyanatomethyl)-3,3,5-trimethylcyclohexane|1,3,3-Trimethyl-1-(isocyanatomethyl)-5-isocyanatocyclohexane|3-(Isocyanatomethyl)-3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl - 3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl-3, 5, 5-trimethylcyclohexylisocyanate|3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanat|3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate|3,3,5-Trimethyl-5-(isocyanatomethyl)cyclohexyl isocyanate|5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane|BRN 2726467|Cyclohexane, 5-isocyanate-1-(isocyanatomethyl)-1,3,3-trimethyl-|CYCLOHEXANE, 5-ISOCYANATO-1-(ISOCYANATOMETHYL)-1, 3,3-TRIMETHYL-|Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-|EINECS 223-861-6|IPDI|isocianato de 3-isocianatometil-3,5|101701-80-8|102771-74-4|105439-02-9|110648-35-6|111093-75-5|1186289-22-4|1199811-14-7|1211316-62-9|124961-52-0|129212-17-5|135454-41-0|146282-59-9|146665-38-5|149579-36-2|1548444-15-0|158750-30-2|1899018-41-7|194936-84-0|1973479-17-2|201046-13-1|26602-93-7|50974-99-7|52985-93-0|63793-40-8|66708-07-4|70936-97-9|74091-63-7|74520-92-6|88778-74-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023826 https://doi.org/10.22427/NTP-DATA-DTXSID0023826
ARPathway2016 ARPathway2016_1193 Isophorone diisocyanate 4098-71-9 DTXSID0023826 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O Isophorone diisocyanate 4098-71-9|Isophorone diisocyanate|1-(Isocyanatomethyl)-5-isocyanato-1,3,3-trimethylcyclohexane|1-Isocyanato-3-(isocyanatomethyl)-3,5,5-trimethylcyclohexane|1-Isocyanato-3,3,5-trimethyl-5-(isocyanatomethyl)cyclohexane|1-Isocyanato-5-(isocyanatomethyl)-3,3,5-trimethylcyclohexane|1,3,3-Trimethyl-1-(isocyanatomethyl)-5-isocyanatocyclohexane|3-(Isocyanatomethyl)-3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl - 3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl-3, 5, 5-trimethylcyclohexylisocyanate|3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanat|3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate|3,3,5-Trimethyl-5-(isocyanatomethyl)cyclohexyl isocyanate|5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane|BRN 2726467|Cyclohexane, 5-isocyanate-1-(isocyanatomethyl)-1,3,3-trimethyl-|CYCLOHEXANE, 5-ISOCYANATO-1-(ISOCYANATOMETHYL)-1, 3,3-TRIMETHYL-|Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-|EINECS 223-861-6|IPDI|isocianato de 3-isocianatometil-3,5|101701-80-8|102771-74-4|105439-02-9|110648-35-6|111093-75-5|1186289-22-4|1199811-14-7|1211316-62-9|124961-52-0|129212-17-5|135454-41-0|146282-59-9|146665-38-5|149579-36-2|1548444-15-0|158750-30-2|1899018-41-7|194936-84-0|1973479-17-2|201046-13-1|26602-93-7|50974-99-7|52985-93-0|63793-40-8|66708-07-4|70936-97-9|74091-63-7|74520-92-6|88778-74-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023826 https://doi.org/10.22427/NTP-DATA-DTXSID0023826
ARPathway2016 ARPathway2016_1193 Isophorone diisocyanate 4098-71-9 DTXSID0023826 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O Isophorone diisocyanate 4098-71-9|Isophorone diisocyanate|1-(Isocyanatomethyl)-5-isocyanato-1,3,3-trimethylcyclohexane|1-Isocyanato-3-(isocyanatomethyl)-3,5,5-trimethylcyclohexane|1-Isocyanato-3,3,5-trimethyl-5-(isocyanatomethyl)cyclohexane|1-Isocyanato-5-(isocyanatomethyl)-3,3,5-trimethylcyclohexane|1,3,3-Trimethyl-1-(isocyanatomethyl)-5-isocyanatocyclohexane|3-(Isocyanatomethyl)-3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl - 3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl-3, 5, 5-trimethylcyclohexylisocyanate|3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanat|3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate|3,3,5-Trimethyl-5-(isocyanatomethyl)cyclohexyl isocyanate|5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane|BRN 2726467|Cyclohexane, 5-isocyanate-1-(isocyanatomethyl)-1,3,3-trimethyl-|CYCLOHEXANE, 5-ISOCYANATO-1-(ISOCYANATOMETHYL)-1, 3,3-TRIMETHYL-|Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-|EINECS 223-861-6|IPDI|isocianato de 3-isocianatometil-3,5|101701-80-8|102771-74-4|105439-02-9|110648-35-6|111093-75-5|1186289-22-4|1199811-14-7|1211316-62-9|124961-52-0|129212-17-5|135454-41-0|146282-59-9|146665-38-5|149579-36-2|1548444-15-0|158750-30-2|1899018-41-7|194936-84-0|1973479-17-2|201046-13-1|26602-93-7|50974-99-7|52985-93-0|63793-40-8|66708-07-4|70936-97-9|74091-63-7|74520-92-6|88778-74-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023826 https://doi.org/10.22427/NTP-DATA-DTXSID0023826
ERPathway2016 ERPathway2016_1478 Isophorone diisocyanate 4098-71-9 DTXSID0023826 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O Isophorone diisocyanate 4098-71-9|Isophorone diisocyanate|1-(Isocyanatomethyl)-5-isocyanato-1,3,3-trimethylcyclohexane|1-Isocyanato-3-(isocyanatomethyl)-3,5,5-trimethylcyclohexane|1-Isocyanato-3,3,5-trimethyl-5-(isocyanatomethyl)cyclohexane|1-Isocyanato-5-(isocyanatomethyl)-3,3,5-trimethylcyclohexane|1,3,3-Trimethyl-1-(isocyanatomethyl)-5-isocyanatocyclohexane|3-(Isocyanatomethyl)-3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl - 3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl-3, 5, 5-trimethylcyclohexylisocyanate|3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanat|3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate|3,3,5-Trimethyl-5-(isocyanatomethyl)cyclohexyl isocyanate|5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane|BRN 2726467|Cyclohexane, 5-isocyanate-1-(isocyanatomethyl)-1,3,3-trimethyl-|CYCLOHEXANE, 5-ISOCYANATO-1-(ISOCYANATOMETHYL)-1, 3,3-TRIMETHYL-|Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-|EINECS 223-861-6|IPDI|isocianato de 3-isocianatometil-3,5|101701-80-8|102771-74-4|105439-02-9|110648-35-6|111093-75-5|1186289-22-4|1199811-14-7|1211316-62-9|124961-52-0|129212-17-5|135454-41-0|146282-59-9|146665-38-5|149579-36-2|1548444-15-0|158750-30-2|1899018-41-7|194936-84-0|1973479-17-2|201046-13-1|26602-93-7|50974-99-7|52985-93-0|63793-40-8|66708-07-4|70936-97-9|74091-63-7|74520-92-6|88778-74-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023826 https://doi.org/10.22427/NTP-DATA-DTXSID0023826
ERPathway2016 ERPathway2016_1478 Isophorone diisocyanate 4098-71-9 DTXSID0023826 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O Isophorone diisocyanate 4098-71-9|Isophorone diisocyanate|1-(Isocyanatomethyl)-5-isocyanato-1,3,3-trimethylcyclohexane|1-Isocyanato-3-(isocyanatomethyl)-3,5,5-trimethylcyclohexane|1-Isocyanato-3,3,5-trimethyl-5-(isocyanatomethyl)cyclohexane|1-Isocyanato-5-(isocyanatomethyl)-3,3,5-trimethylcyclohexane|1,3,3-Trimethyl-1-(isocyanatomethyl)-5-isocyanatocyclohexane|3-(Isocyanatomethyl)-3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl - 3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl-3, 5, 5-trimethylcyclohexylisocyanate|3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanat|3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate|3,3,5-Trimethyl-5-(isocyanatomethyl)cyclohexyl isocyanate|5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane|BRN 2726467|Cyclohexane, 5-isocyanate-1-(isocyanatomethyl)-1,3,3-trimethyl-|CYCLOHEXANE, 5-ISOCYANATO-1-(ISOCYANATOMETHYL)-1, 3,3-TRIMETHYL-|Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-|EINECS 223-861-6|IPDI|isocianato de 3-isocianatometil-3,5|101701-80-8|102771-74-4|105439-02-9|110648-35-6|111093-75-5|1186289-22-4|1199811-14-7|1211316-62-9|124961-52-0|129212-17-5|135454-41-0|146282-59-9|146665-38-5|149579-36-2|1548444-15-0|158750-30-2|1899018-41-7|194936-84-0|1973479-17-2|201046-13-1|26602-93-7|50974-99-7|52985-93-0|63793-40-8|66708-07-4|70936-97-9|74091-63-7|74520-92-6|88778-74-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023826 https://doi.org/10.22427/NTP-DATA-DTXSID0023826
ERPathway2016 ERPathway2016_1478 Isophorone diisocyanate 4098-71-9 DTXSID0023826 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O Isophorone diisocyanate 4098-71-9|Isophorone diisocyanate|1-(Isocyanatomethyl)-5-isocyanato-1,3,3-trimethylcyclohexane|1-Isocyanato-3-(isocyanatomethyl)-3,5,5-trimethylcyclohexane|1-Isocyanato-3,3,5-trimethyl-5-(isocyanatomethyl)cyclohexane|1-Isocyanato-5-(isocyanatomethyl)-3,3,5-trimethylcyclohexane|1,3,3-Trimethyl-1-(isocyanatomethyl)-5-isocyanatocyclohexane|3-(Isocyanatomethyl)-3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl - 3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl-3, 5, 5-trimethylcyclohexylisocyanate|3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanat|3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate|3,3,5-Trimethyl-5-(isocyanatomethyl)cyclohexyl isocyanate|5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane|BRN 2726467|Cyclohexane, 5-isocyanate-1-(isocyanatomethyl)-1,3,3-trimethyl-|CYCLOHEXANE, 5-ISOCYANATO-1-(ISOCYANATOMETHYL)-1, 3,3-TRIMETHYL-|Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-|EINECS 223-861-6|IPDI|isocianato de 3-isocianatometil-3,5|101701-80-8|102771-74-4|105439-02-9|110648-35-6|111093-75-5|1186289-22-4|1199811-14-7|1211316-62-9|124961-52-0|129212-17-5|135454-41-0|146282-59-9|146665-38-5|149579-36-2|1548444-15-0|158750-30-2|1899018-41-7|194936-84-0|1973479-17-2|201046-13-1|26602-93-7|50974-99-7|52985-93-0|63793-40-8|66708-07-4|70936-97-9|74091-63-7|74520-92-6|88778-74-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023826 https://doi.org/10.22427/NTP-DATA-DTXSID0023826
ERPathway2016 ERPathway2016_1478 Isophorone diisocyanate 4098-71-9 DTXSID0023826 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O Isophorone diisocyanate 4098-71-9|Isophorone diisocyanate|1-(Isocyanatomethyl)-5-isocyanato-1,3,3-trimethylcyclohexane|1-Isocyanato-3-(isocyanatomethyl)-3,5,5-trimethylcyclohexane|1-Isocyanato-3,3,5-trimethyl-5-(isocyanatomethyl)cyclohexane|1-Isocyanato-5-(isocyanatomethyl)-3,3,5-trimethylcyclohexane|1,3,3-Trimethyl-1-(isocyanatomethyl)-5-isocyanatocyclohexane|3-(Isocyanatomethyl)-3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl - 3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl-3, 5, 5-trimethylcyclohexylisocyanate|3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate|3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanat|3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate|3,3,5-Trimethyl-5-(isocyanatomethyl)cyclohexyl isocyanate|5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane|BRN 2726467|Cyclohexane, 5-isocyanate-1-(isocyanatomethyl)-1,3,3-trimethyl-|CYCLOHEXANE, 5-ISOCYANATO-1-(ISOCYANATOMETHYL)-1, 3,3-TRIMETHYL-|Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-|EINECS 223-861-6|IPDI|isocianato de 3-isocianatometil-3,5|101701-80-8|102771-74-4|105439-02-9|110648-35-6|111093-75-5|1186289-22-4|1199811-14-7|1211316-62-9|124961-52-0|129212-17-5|135454-41-0|146282-59-9|146665-38-5|149579-36-2|1548444-15-0|158750-30-2|1899018-41-7|194936-84-0|1973479-17-2|201046-13-1|26602-93-7|50974-99-7|52985-93-0|63793-40-8|66708-07-4|70936-97-9|74091-63-7|74520-92-6|88778-74-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023826 https://doi.org/10.22427/NTP-DATA-DTXSID0023826
ARPathway2016 ARPathway2016_157 Isopropalin 33820-53-0 DTXSID8024157 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 40.18341939 uM CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(C)C)[N+]([O-])=O Isopropalin 33820-53-0|Isopropalin|2,6-Dinitro-N,N-dipropyl-4-isopropylaniline|4-(1-Methylethyl)-2,6-dinitro-N,N-dipropylbenzenamine|4-Isopropyl-2,6-dinitro-N,N-dipropylaniline|BRN 2762577|Caswell No. 506A|Cumidine, 2,6-dinitro-N,N-dipropyl-|EINECS 251-690-7|EPA Pesticide Chemical Code 100201|Isopropaline|Paarlan|UNII-52GZD1I41N|34113-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024157
ARPathway2016 ARPathway2016_157 Isopropalin 33820-53-0 DTXSID8024157 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 37.9641232 uM CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(C)C)[N+]([O-])=O Isopropalin 33820-53-0|Isopropalin|2,6-Dinitro-N,N-dipropyl-4-isopropylaniline|4-(1-Methylethyl)-2,6-dinitro-N,N-dipropylbenzenamine|4-Isopropyl-2,6-dinitro-N,N-dipropylaniline|BRN 2762577|Caswell No. 506A|Cumidine, 2,6-dinitro-N,N-dipropyl-|EINECS 251-690-7|EPA Pesticide Chemical Code 100201|Isopropaline|Paarlan|UNII-52GZD1I41N|34113-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024157
ARPathway2016 ARPathway2016_157 Isopropalin 33820-53-0 DTXSID8024157 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0627 Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(C)C)[N+]([O-])=O Isopropalin 33820-53-0|Isopropalin|2,6-Dinitro-N,N-dipropyl-4-isopropylaniline|4-(1-Methylethyl)-2,6-dinitro-N,N-dipropylbenzenamine|4-Isopropyl-2,6-dinitro-N,N-dipropylaniline|BRN 2762577|Caswell No. 506A|Cumidine, 2,6-dinitro-N,N-dipropyl-|EINECS 251-690-7|EPA Pesticide Chemical Code 100201|Isopropaline|Paarlan|UNII-52GZD1I41N|34113-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024157
ARPathway2016 ARPathway2016_157 Isopropalin 33820-53-0 DTXSID8024157 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(C)C)[N+]([O-])=O Isopropalin 33820-53-0|Isopropalin|2,6-Dinitro-N,N-dipropyl-4-isopropylaniline|4-(1-Methylethyl)-2,6-dinitro-N,N-dipropylbenzenamine|4-Isopropyl-2,6-dinitro-N,N-dipropylaniline|BRN 2762577|Caswell No. 506A|Cumidine, 2,6-dinitro-N,N-dipropyl-|EINECS 251-690-7|EPA Pesticide Chemical Code 100201|Isopropaline|Paarlan|UNII-52GZD1I41N|34113-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024157
ARPathway2016 ARPathway2016_157 Isopropalin 33820-53-0 DTXSID8024157 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(C)C)[N+]([O-])=O Isopropalin 33820-53-0|Isopropalin|2,6-Dinitro-N,N-dipropyl-4-isopropylaniline|4-(1-Methylethyl)-2,6-dinitro-N,N-dipropylbenzenamine|4-Isopropyl-2,6-dinitro-N,N-dipropylaniline|BRN 2762577|Caswell No. 506A|Cumidine, 2,6-dinitro-N,N-dipropyl-|EINECS 251-690-7|EPA Pesticide Chemical Code 100201|Isopropaline|Paarlan|UNII-52GZD1I41N|34113-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024157
ARPathway2016 ARPathway2016_157 Isopropalin 33820-53-0 DTXSID8024157 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(C)C)[N+]([O-])=O Isopropalin 33820-53-0|Isopropalin|2,6-Dinitro-N,N-dipropyl-4-isopropylaniline|4-(1-Methylethyl)-2,6-dinitro-N,N-dipropylbenzenamine|4-Isopropyl-2,6-dinitro-N,N-dipropylaniline|BRN 2762577|Caswell No. 506A|Cumidine, 2,6-dinitro-N,N-dipropyl-|EINECS 251-690-7|EPA Pesticide Chemical Code 100201|Isopropaline|Paarlan|UNII-52GZD1I41N|34113-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024157
ERPathway2016 ERPathway2016_20 Isopropalin 33820-53-0 DTXSID8024157 ER Pathway Model, Agonist AC50 18.297542067153 uM CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(C)C)[N+]([O-])=O Isopropalin 33820-53-0|Isopropalin|2,6-Dinitro-N,N-dipropyl-4-isopropylaniline|4-(1-Methylethyl)-2,6-dinitro-N,N-dipropylbenzenamine|4-Isopropyl-2,6-dinitro-N,N-dipropylaniline|BRN 2762577|Caswell No. 506A|Cumidine, 2,6-dinitro-N,N-dipropyl-|EINECS 251-690-7|EPA Pesticide Chemical Code 100201|Isopropaline|Paarlan|UNII-52GZD1I41N|34113-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024157
ERPathway2016 ERPathway2016_20 Isopropalin 33820-53-0 DTXSID8024157 ER Pathway Model, Agonist ACC 20.9427186133467 uM CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(C)C)[N+]([O-])=O Isopropalin 33820-53-0|Isopropalin|2,6-Dinitro-N,N-dipropyl-4-isopropylaniline|4-(1-Methylethyl)-2,6-dinitro-N,N-dipropylbenzenamine|4-Isopropyl-2,6-dinitro-N,N-dipropylaniline|BRN 2762577|Caswell No. 506A|Cumidine, 2,6-dinitro-N,N-dipropyl-|EINECS 251-690-7|EPA Pesticide Chemical Code 100201|Isopropaline|Paarlan|UNII-52GZD1I41N|34113-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024157
ERPathway2016 ERPathway2016_20 Isopropalin 33820-53-0 DTXSID8024157 ER Pathway Model, Agonist Model Score 0.0122 Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(C)C)[N+]([O-])=O Isopropalin 33820-53-0|Isopropalin|2,6-Dinitro-N,N-dipropyl-4-isopropylaniline|4-(1-Methylethyl)-2,6-dinitro-N,N-dipropylbenzenamine|4-Isopropyl-2,6-dinitro-N,N-dipropylaniline|BRN 2762577|Caswell No. 506A|Cumidine, 2,6-dinitro-N,N-dipropyl-|EINECS 251-690-7|EPA Pesticide Chemical Code 100201|Isopropaline|Paarlan|UNII-52GZD1I41N|34113-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024157
ERPathway2016 ERPathway2016_20 Isopropalin 33820-53-0 DTXSID8024157 ER Pathway Model, Antagonist Model Score 0.0372 Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(C)C)[N+]([O-])=O Isopropalin 33820-53-0|Isopropalin|2,6-Dinitro-N,N-dipropyl-4-isopropylaniline|4-(1-Methylethyl)-2,6-dinitro-N,N-dipropylbenzenamine|4-Isopropyl-2,6-dinitro-N,N-dipropylaniline|BRN 2762577|Caswell No. 506A|Cumidine, 2,6-dinitro-N,N-dipropyl-|EINECS 251-690-7|EPA Pesticide Chemical Code 100201|Isopropaline|Paarlan|UNII-52GZD1I41N|34113-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024157
ERPathway2016 ERPathway2016_20 Isopropalin 33820-53-0 DTXSID8024157 ER Pathway Model, Agonist Call Active Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(C)C)[N+]([O-])=O Isopropalin 33820-53-0|Isopropalin|2,6-Dinitro-N,N-dipropyl-4-isopropylaniline|4-(1-Methylethyl)-2,6-dinitro-N,N-dipropylbenzenamine|4-Isopropyl-2,6-dinitro-N,N-dipropylaniline|BRN 2762577|Caswell No. 506A|Cumidine, 2,6-dinitro-N,N-dipropyl-|EINECS 251-690-7|EPA Pesticide Chemical Code 100201|Isopropaline|Paarlan|UNII-52GZD1I41N|34113-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024157
ERPathway2016 ERPathway2016_20 Isopropalin 33820-53-0 DTXSID8024157 ER Pathway Model, Antagonist Call Inactive Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(C)C)[N+]([O-])=O Isopropalin 33820-53-0|Isopropalin|2,6-Dinitro-N,N-dipropyl-4-isopropylaniline|4-(1-Methylethyl)-2,6-dinitro-N,N-dipropylbenzenamine|4-Isopropyl-2,6-dinitro-N,N-dipropylaniline|BRN 2762577|Caswell No. 506A|Cumidine, 2,6-dinitro-N,N-dipropyl-|EINECS 251-690-7|EPA Pesticide Chemical Code 100201|Isopropaline|Paarlan|UNII-52GZD1I41N|34113-21-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024157
ARPathway2016 ARPathway2016_505 Isopropyl acetate 108-21-4 DTXSID2025478 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)OC(C)=O Isopropyl acetate 108-21-4|Isopropyl acetate|1-Methylethyl acetate|2-Acetoxypropane|2-Propyl acetate|4-02-00-00141|Acetate d'isopropyle|ACETATE, ISOPROPYL|acetato de isopropilo|Acetic acid, 1-methylethyl ester|Acetic acid, isopropyl ester|BRN 1740761|EINECS 203-561-1|ESSIGSAEURE-ISOPROPYLESTER|FEMA No. 2926|Isopropyl (acetate d')|Isopropyl ethanoate|Isopropylacetaat|Isopropylacetat|Isopropyle (acetate d')|Isopropylester kyseliny octove|NSC 9295|Paracetat|UN 1220|UNII-1Y67AFK870 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025478 https://doi.org/10.22427/NTP-DATA-DTXSID2025478
ARPathway2016 ARPathway2016_505 Isopropyl acetate 108-21-4 DTXSID2025478 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)OC(C)=O Isopropyl acetate 108-21-4|Isopropyl acetate|1-Methylethyl acetate|2-Acetoxypropane|2-Propyl acetate|4-02-00-00141|Acetate d'isopropyle|ACETATE, ISOPROPYL|acetato de isopropilo|Acetic acid, 1-methylethyl ester|Acetic acid, isopropyl ester|BRN 1740761|EINECS 203-561-1|ESSIGSAEURE-ISOPROPYLESTER|FEMA No. 2926|Isopropyl (acetate d')|Isopropyl ethanoate|Isopropylacetaat|Isopropylacetat|Isopropyle (acetate d')|Isopropylester kyseliny octove|NSC 9295|Paracetat|UN 1220|UNII-1Y67AFK870 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025478 https://doi.org/10.22427/NTP-DATA-DTXSID2025478
ARPathway2016 ARPathway2016_505 Isopropyl acetate 108-21-4 DTXSID2025478 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)OC(C)=O Isopropyl acetate 108-21-4|Isopropyl acetate|1-Methylethyl acetate|2-Acetoxypropane|2-Propyl acetate|4-02-00-00141|Acetate d'isopropyle|ACETATE, ISOPROPYL|acetato de isopropilo|Acetic acid, 1-methylethyl ester|Acetic acid, isopropyl ester|BRN 1740761|EINECS 203-561-1|ESSIGSAEURE-ISOPROPYLESTER|FEMA No. 2926|Isopropyl (acetate d')|Isopropyl ethanoate|Isopropylacetaat|Isopropylacetat|Isopropyle (acetate d')|Isopropylester kyseliny octove|NSC 9295|Paracetat|UN 1220|UNII-1Y67AFK870 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025478 https://doi.org/10.22427/NTP-DATA-DTXSID2025478
ARPathway2016 ARPathway2016_505 Isopropyl acetate 108-21-4 DTXSID2025478 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)OC(C)=O Isopropyl acetate 108-21-4|Isopropyl acetate|1-Methylethyl acetate|2-Acetoxypropane|2-Propyl acetate|4-02-00-00141|Acetate d'isopropyle|ACETATE, ISOPROPYL|acetato de isopropilo|Acetic acid, 1-methylethyl ester|Acetic acid, isopropyl ester|BRN 1740761|EINECS 203-561-1|ESSIGSAEURE-ISOPROPYLESTER|FEMA No. 2926|Isopropyl (acetate d')|Isopropyl ethanoate|Isopropylacetaat|Isopropylacetat|Isopropyle (acetate d')|Isopropylester kyseliny octove|NSC 9295|Paracetat|UN 1220|UNII-1Y67AFK870 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025478 https://doi.org/10.22427/NTP-DATA-DTXSID2025478
ERPathway2016 ERPathway2016_366 Isopropyl acetate 108-21-4 DTXSID2025478 ER Pathway Model, Antagonist AC50 39.6993783454885 uM CC(C)OC(C)=O Isopropyl acetate 108-21-4|Isopropyl acetate|1-Methylethyl acetate|2-Acetoxypropane|2-Propyl acetate|4-02-00-00141|Acetate d'isopropyle|ACETATE, ISOPROPYL|acetato de isopropilo|Acetic acid, 1-methylethyl ester|Acetic acid, isopropyl ester|BRN 1740761|EINECS 203-561-1|ESSIGSAEURE-ISOPROPYLESTER|FEMA No. 2926|Isopropyl (acetate d')|Isopropyl ethanoate|Isopropylacetaat|Isopropylacetat|Isopropyle (acetate d')|Isopropylester kyseliny octove|NSC 9295|Paracetat|UN 1220|UNII-1Y67AFK870 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025478 https://doi.org/10.22427/NTP-DATA-DTXSID2025478
ERPathway2016 ERPathway2016_366 Isopropyl acetate 108-21-4 DTXSID2025478 ER Pathway Model, Antagonist ACC 42.1445699661997 uM CC(C)OC(C)=O Isopropyl acetate 108-21-4|Isopropyl acetate|1-Methylethyl acetate|2-Acetoxypropane|2-Propyl acetate|4-02-00-00141|Acetate d'isopropyle|ACETATE, ISOPROPYL|acetato de isopropilo|Acetic acid, 1-methylethyl ester|Acetic acid, isopropyl ester|BRN 1740761|EINECS 203-561-1|ESSIGSAEURE-ISOPROPYLESTER|FEMA No. 2926|Isopropyl (acetate d')|Isopropyl ethanoate|Isopropylacetaat|Isopropylacetat|Isopropyle (acetate d')|Isopropylester kyseliny octove|NSC 9295|Paracetat|UN 1220|UNII-1Y67AFK870 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025478 https://doi.org/10.22427/NTP-DATA-DTXSID2025478
ERPathway2016 ERPathway2016_366 Isopropyl acetate 108-21-4 DTXSID2025478 ER Pathway Model, Agonist Model Score 0.0152 Unitless CC(C)OC(C)=O Isopropyl acetate 108-21-4|Isopropyl acetate|1-Methylethyl acetate|2-Acetoxypropane|2-Propyl acetate|4-02-00-00141|Acetate d'isopropyle|ACETATE, ISOPROPYL|acetato de isopropilo|Acetic acid, 1-methylethyl ester|Acetic acid, isopropyl ester|BRN 1740761|EINECS 203-561-1|ESSIGSAEURE-ISOPROPYLESTER|FEMA No. 2926|Isopropyl (acetate d')|Isopropyl ethanoate|Isopropylacetaat|Isopropylacetat|Isopropyle (acetate d')|Isopropylester kyseliny octove|NSC 9295|Paracetat|UN 1220|UNII-1Y67AFK870 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025478 https://doi.org/10.22427/NTP-DATA-DTXSID2025478
ERPathway2016 ERPathway2016_366 Isopropyl acetate 108-21-4 DTXSID2025478 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)OC(C)=O Isopropyl acetate 108-21-4|Isopropyl acetate|1-Methylethyl acetate|2-Acetoxypropane|2-Propyl acetate|4-02-00-00141|Acetate d'isopropyle|ACETATE, ISOPROPYL|acetato de isopropilo|Acetic acid, 1-methylethyl ester|Acetic acid, isopropyl ester|BRN 1740761|EINECS 203-561-1|ESSIGSAEURE-ISOPROPYLESTER|FEMA No. 2926|Isopropyl (acetate d')|Isopropyl ethanoate|Isopropylacetaat|Isopropylacetat|Isopropyle (acetate d')|Isopropylester kyseliny octove|NSC 9295|Paracetat|UN 1220|UNII-1Y67AFK870 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025478 https://doi.org/10.22427/NTP-DATA-DTXSID2025478
ERPathway2016 ERPathway2016_366 Isopropyl acetate 108-21-4 DTXSID2025478 ER Pathway Model, Agonist Call Inactive Unitless CC(C)OC(C)=O Isopropyl acetate 108-21-4|Isopropyl acetate|1-Methylethyl acetate|2-Acetoxypropane|2-Propyl acetate|4-02-00-00141|Acetate d'isopropyle|ACETATE, ISOPROPYL|acetato de isopropilo|Acetic acid, 1-methylethyl ester|Acetic acid, isopropyl ester|BRN 1740761|EINECS 203-561-1|ESSIGSAEURE-ISOPROPYLESTER|FEMA No. 2926|Isopropyl (acetate d')|Isopropyl ethanoate|Isopropylacetaat|Isopropylacetat|Isopropyle (acetate d')|Isopropylester kyseliny octove|NSC 9295|Paracetat|UN 1220|UNII-1Y67AFK870 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025478 https://doi.org/10.22427/NTP-DATA-DTXSID2025478
ERPathway2016 ERPathway2016_366 Isopropyl acetate 108-21-4 DTXSID2025478 ER Pathway Model, Antagonist Call Active Unitless CC(C)OC(C)=O Isopropyl acetate 108-21-4|Isopropyl acetate|1-Methylethyl acetate|2-Acetoxypropane|2-Propyl acetate|4-02-00-00141|Acetate d'isopropyle|ACETATE, ISOPROPYL|acetato de isopropilo|Acetic acid, 1-methylethyl ester|Acetic acid, isopropyl ester|BRN 1740761|EINECS 203-561-1|ESSIGSAEURE-ISOPROPYLESTER|FEMA No. 2926|Isopropyl (acetate d')|Isopropyl ethanoate|Isopropylacetaat|Isopropylacetat|Isopropyle (acetate d')|Isopropylester kyseliny octove|NSC 9295|Paracetat|UN 1220|UNII-1Y67AFK870 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025478 https://doi.org/10.22427/NTP-DATA-DTXSID2025478
ARPathway2016 ARPathway2016_1412 Isopropyl formate 625-55-8 DTXSID2027258 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)OC=O Isopropyl formate 625-55-8|Isopropyl formate|1-Methylethyl formate|4-02-00-00027|BRN 1735844|EINECS 210-901-2|FEMA No. 2944|Formic acid, 1-methylethyl ester|Isopropyl methanoate|UNII-H1L164W42G https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027258
ARPathway2016 ARPathway2016_1412 Isopropyl formate 625-55-8 DTXSID2027258 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)OC=O Isopropyl formate 625-55-8|Isopropyl formate|1-Methylethyl formate|4-02-00-00027|BRN 1735844|EINECS 210-901-2|FEMA No. 2944|Formic acid, 1-methylethyl ester|Isopropyl methanoate|UNII-H1L164W42G https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027258
ARPathway2016 ARPathway2016_1412 Isopropyl formate 625-55-8 DTXSID2027258 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CC(C)OC=O Isopropyl formate 625-55-8|Isopropyl formate|1-Methylethyl formate|4-02-00-00027|BRN 1735844|EINECS 210-901-2|FEMA No. 2944|Formic acid, 1-methylethyl ester|Isopropyl methanoate|UNII-H1L164W42G https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027258
ARPathway2016 ARPathway2016_1412 Isopropyl formate 625-55-8 DTXSID2027258 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)OC=O Isopropyl formate 625-55-8|Isopropyl formate|1-Methylethyl formate|4-02-00-00027|BRN 1735844|EINECS 210-901-2|FEMA No. 2944|Formic acid, 1-methylethyl ester|Isopropyl methanoate|UNII-H1L164W42G https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027258
ERPathway2016 ERPathway2016_1579 Isopropyl formate 625-55-8 DTXSID2027258 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)OC=O Isopropyl formate 625-55-8|Isopropyl formate|1-Methylethyl formate|4-02-00-00027|BRN 1735844|EINECS 210-901-2|FEMA No. 2944|Formic acid, 1-methylethyl ester|Isopropyl methanoate|UNII-H1L164W42G https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027258
ERPathway2016 ERPathway2016_1579 Isopropyl formate 625-55-8 DTXSID2027258 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)OC=O Isopropyl formate 625-55-8|Isopropyl formate|1-Methylethyl formate|4-02-00-00027|BRN 1735844|EINECS 210-901-2|FEMA No. 2944|Formic acid, 1-methylethyl ester|Isopropyl methanoate|UNII-H1L164W42G https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027258
ERPathway2016 ERPathway2016_1579 Isopropyl formate 625-55-8 DTXSID2027258 ER Pathway Model, Agonist Call Inactive Unitless CC(C)OC=O Isopropyl formate 625-55-8|Isopropyl formate|1-Methylethyl formate|4-02-00-00027|BRN 1735844|EINECS 210-901-2|FEMA No. 2944|Formic acid, 1-methylethyl ester|Isopropyl methanoate|UNII-H1L164W42G https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027258
ERPathway2016 ERPathway2016_1579 Isopropyl formate 625-55-8 DTXSID2027258 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)OC=O Isopropyl formate 625-55-8|Isopropyl formate|1-Methylethyl formate|4-02-00-00027|BRN 1735844|EINECS 210-901-2|FEMA No. 2944|Formic acid, 1-methylethyl ester|Isopropyl methanoate|UNII-H1L164W42G https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027258
ARPathway2016 ARPathway2016_1397 Isopropyl phenyl ketone 611-70-1 DTXSID6048202 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C(=O)C1=CC=CC=C1 Isopropyl phenyl ketone 611-70-1|Isopropyl phenyl ketone|1-Phenyl-2-methyl-1-propanone|1-Propanone, 2-methyl-1-phenyl-|2-Methyl-1-phenyl-1-propanone|2-Methyl-1-phenylpropanone|2-Methylpropiophenone|alpha-Methylpropiophenone|EINECS 210-275-0|isobutirofenona|Isobutyrophenon|Isobutyrophenone|Isopropyl phenyl keton|NSC 6552|Phenyl isopropyl ketone|a-Methylpropiophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048202
ARPathway2016 ARPathway2016_1397 Isopropyl phenyl ketone 611-70-1 DTXSID6048202 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C(=O)C1=CC=CC=C1 Isopropyl phenyl ketone 611-70-1|Isopropyl phenyl ketone|1-Phenyl-2-methyl-1-propanone|1-Propanone, 2-methyl-1-phenyl-|2-Methyl-1-phenyl-1-propanone|2-Methyl-1-phenylpropanone|2-Methylpropiophenone|alpha-Methylpropiophenone|EINECS 210-275-0|isobutirofenona|Isobutyrophenon|Isobutyrophenone|Isopropyl phenyl keton|NSC 6552|Phenyl isopropyl ketone|a-Methylpropiophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048202
ARPathway2016 ARPathway2016_1397 Isopropyl phenyl ketone 611-70-1 DTXSID6048202 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C(=O)C1=CC=CC=C1 Isopropyl phenyl ketone 611-70-1|Isopropyl phenyl ketone|1-Phenyl-2-methyl-1-propanone|1-Propanone, 2-methyl-1-phenyl-|2-Methyl-1-phenyl-1-propanone|2-Methyl-1-phenylpropanone|2-Methylpropiophenone|alpha-Methylpropiophenone|EINECS 210-275-0|isobutirofenona|Isobutyrophenon|Isobutyrophenone|Isopropyl phenyl keton|NSC 6552|Phenyl isopropyl ketone|a-Methylpropiophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048202
ARPathway2016 ARPathway2016_1397 Isopropyl phenyl ketone 611-70-1 DTXSID6048202 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C(=O)C1=CC=CC=C1 Isopropyl phenyl ketone 611-70-1|Isopropyl phenyl ketone|1-Phenyl-2-methyl-1-propanone|1-Propanone, 2-methyl-1-phenyl-|2-Methyl-1-phenyl-1-propanone|2-Methyl-1-phenylpropanone|2-Methylpropiophenone|alpha-Methylpropiophenone|EINECS 210-275-0|isobutirofenona|Isobutyrophenon|Isobutyrophenone|Isopropyl phenyl keton|NSC 6552|Phenyl isopropyl ketone|a-Methylpropiophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048202
ERPathway2016 ERPathway2016_493 Isopropyl phenyl ketone 611-70-1 DTXSID6048202 R6 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)C(=O)C1=CC=CC=C1 Isopropyl phenyl ketone 611-70-1|Isopropyl phenyl ketone|1-Phenyl-2-methyl-1-propanone|1-Propanone, 2-methyl-1-phenyl-|2-Methyl-1-phenyl-1-propanone|2-Methyl-1-phenylpropanone|2-Methylpropiophenone|alpha-Methylpropiophenone|EINECS 210-275-0|isobutirofenona|Isobutyrophenon|Isobutyrophenone|Isopropyl phenyl keton|NSC 6552|Phenyl isopropyl ketone|a-Methylpropiophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048202
ERPathway2016 ERPathway2016_493 Isopropyl phenyl ketone 611-70-1 DTXSID6048202 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C(=O)C1=CC=CC=C1 Isopropyl phenyl ketone 611-70-1|Isopropyl phenyl ketone|1-Phenyl-2-methyl-1-propanone|1-Propanone, 2-methyl-1-phenyl-|2-Methyl-1-phenyl-1-propanone|2-Methyl-1-phenylpropanone|2-Methylpropiophenone|alpha-Methylpropiophenone|EINECS 210-275-0|isobutirofenona|Isobutyrophenon|Isobutyrophenone|Isopropyl phenyl keton|NSC 6552|Phenyl isopropyl ketone|a-Methylpropiophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048202
ERPathway2016 ERPathway2016_493 Isopropyl phenyl ketone 611-70-1 DTXSID6048202 R6 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C(=O)C1=CC=CC=C1 Isopropyl phenyl ketone 611-70-1|Isopropyl phenyl ketone|1-Phenyl-2-methyl-1-propanone|1-Propanone, 2-methyl-1-phenyl-|2-Methyl-1-phenyl-1-propanone|2-Methyl-1-phenylpropanone|2-Methylpropiophenone|alpha-Methylpropiophenone|EINECS 210-275-0|isobutirofenona|Isobutyrophenon|Isobutyrophenone|Isopropyl phenyl keton|NSC 6552|Phenyl isopropyl ketone|a-Methylpropiophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048202
ERPathway2016 ERPathway2016_493 Isopropyl phenyl ketone 611-70-1 DTXSID6048202 R6 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)C(=O)C1=CC=CC=C1 Isopropyl phenyl ketone 611-70-1|Isopropyl phenyl ketone|1-Phenyl-2-methyl-1-propanone|1-Propanone, 2-methyl-1-phenyl-|2-Methyl-1-phenyl-1-propanone|2-Methyl-1-phenylpropanone|2-Methylpropiophenone|alpha-Methylpropiophenone|EINECS 210-275-0|isobutirofenona|Isobutyrophenon|Isobutyrophenone|Isopropyl phenyl keton|NSC 6552|Phenyl isopropyl ketone|a-Methylpropiophenone https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048202
ARPathway2016 ARPathway2016_542 Isopropyl tetradecanoate 110-27-0 DTXSID0026838 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCC(=O)OC(C)C Isopropyl tetradecanoate 110-27-0|Isopropyl tetradecanoate|1-Methylethyl tetradecanoate|1-Tridecanecarboxylic acid, isopropyl ester|203-751-4|Bisomel|BRN 1781127|Caswell No. 511E|Crodacol IPM|Crodamol 1PM|Crodamol I.P.M.|Crodamol IPM|D 50|D 50 (emollient)|Deltyl Extra|Deltylextra|EC No.: 203-751-4|EINECS 203-751-4|Emcol IM|Emcol-IM|Emerest 2314|EPA Pesticide Chemical Code 000207|Estergel|Estergel (TN)|Estol 1512|Estol 1514|Estol IPM 1512|Exceparl IPM|Exceparl IPML|FEMA 3556|FEMA No. 3556|IPM|IPM 100|IPM-EX|IPM-R|Iso-propyl N-tetradecanoate|Isomyst|isopropyl myristate|Isopropyl myristate-PM|Isopropyl tetradecanoic acid|Isopropylmyristat|JA-FA IPM|Kessco IPM|Kessco isopropyl myristate|Kesscomir|Kollicream IPM|Lexol IPM|Liponate IPM|Matlube IPM-S|Methylethyl tetradecanoate|miristato de isopropilo|Myristate d'isopropyle|MYRISTATE, ISOPROPYL|Myristic acid isopropyl ester|Myristic acid, isopropyl ester|MYRISTINSAEURE-ISOPROPYLESTER|Nikkol IPM|Nikkol IPM 100|Nikkol IPM-EX|NSC 406280|Pastell IP 14|Pelemol IPM|Plymoutm IPM|Promyr|Propan-2-yl tetradecanoate|Radia 7190|Radia 77|1405-98-7|852553-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026838
ARPathway2016 ARPathway2016_542 Isopropyl tetradecanoate 110-27-0 DTXSID0026838 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCC(=O)OC(C)C Isopropyl tetradecanoate 110-27-0|Isopropyl tetradecanoate|1-Methylethyl tetradecanoate|1-Tridecanecarboxylic acid, isopropyl ester|203-751-4|Bisomel|BRN 1781127|Caswell No. 511E|Crodacol IPM|Crodamol 1PM|Crodamol I.P.M.|Crodamol IPM|D 50|D 50 (emollient)|Deltyl Extra|Deltylextra|EC No.: 203-751-4|EINECS 203-751-4|Emcol IM|Emcol-IM|Emerest 2314|EPA Pesticide Chemical Code 000207|Estergel|Estergel (TN)|Estol 1512|Estol 1514|Estol IPM 1512|Exceparl IPM|Exceparl IPML|FEMA 3556|FEMA No. 3556|IPM|IPM 100|IPM-EX|IPM-R|Iso-propyl N-tetradecanoate|Isomyst|isopropyl myristate|Isopropyl myristate-PM|Isopropyl tetradecanoic acid|Isopropylmyristat|JA-FA IPM|Kessco IPM|Kessco isopropyl myristate|Kesscomir|Kollicream IPM|Lexol IPM|Liponate IPM|Matlube IPM-S|Methylethyl tetradecanoate|miristato de isopropilo|Myristate d'isopropyle|MYRISTATE, ISOPROPYL|Myristic acid isopropyl ester|Myristic acid, isopropyl ester|MYRISTINSAEURE-ISOPROPYLESTER|Nikkol IPM|Nikkol IPM 100|Nikkol IPM-EX|NSC 406280|Pastell IP 14|Pelemol IPM|Plymoutm IPM|Promyr|Propan-2-yl tetradecanoate|Radia 7190|Radia 77|1405-98-7|852553-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026838
ARPathway2016 ARPathway2016_542 Isopropyl tetradecanoate 110-27-0 DTXSID0026838 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCC(=O)OC(C)C Isopropyl tetradecanoate 110-27-0|Isopropyl tetradecanoate|1-Methylethyl tetradecanoate|1-Tridecanecarboxylic acid, isopropyl ester|203-751-4|Bisomel|BRN 1781127|Caswell No. 511E|Crodacol IPM|Crodamol 1PM|Crodamol I.P.M.|Crodamol IPM|D 50|D 50 (emollient)|Deltyl Extra|Deltylextra|EC No.: 203-751-4|EINECS 203-751-4|Emcol IM|Emcol-IM|Emerest 2314|EPA Pesticide Chemical Code 000207|Estergel|Estergel (TN)|Estol 1512|Estol 1514|Estol IPM 1512|Exceparl IPM|Exceparl IPML|FEMA 3556|FEMA No. 3556|IPM|IPM 100|IPM-EX|IPM-R|Iso-propyl N-tetradecanoate|Isomyst|isopropyl myristate|Isopropyl myristate-PM|Isopropyl tetradecanoic acid|Isopropylmyristat|JA-FA IPM|Kessco IPM|Kessco isopropyl myristate|Kesscomir|Kollicream IPM|Lexol IPM|Liponate IPM|Matlube IPM-S|Methylethyl tetradecanoate|miristato de isopropilo|Myristate d'isopropyle|MYRISTATE, ISOPROPYL|Myristic acid isopropyl ester|Myristic acid, isopropyl ester|MYRISTINSAEURE-ISOPROPYLESTER|Nikkol IPM|Nikkol IPM 100|Nikkol IPM-EX|NSC 406280|Pastell IP 14|Pelemol IPM|Plymoutm IPM|Promyr|Propan-2-yl tetradecanoate|Radia 7190|Radia 77|1405-98-7|852553-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026838
ARPathway2016 ARPathway2016_542 Isopropyl tetradecanoate 110-27-0 DTXSID0026838 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCC(=O)OC(C)C Isopropyl tetradecanoate 110-27-0|Isopropyl tetradecanoate|1-Methylethyl tetradecanoate|1-Tridecanecarboxylic acid, isopropyl ester|203-751-4|Bisomel|BRN 1781127|Caswell No. 511E|Crodacol IPM|Crodamol 1PM|Crodamol I.P.M.|Crodamol IPM|D 50|D 50 (emollient)|Deltyl Extra|Deltylextra|EC No.: 203-751-4|EINECS 203-751-4|Emcol IM|Emcol-IM|Emerest 2314|EPA Pesticide Chemical Code 000207|Estergel|Estergel (TN)|Estol 1512|Estol 1514|Estol IPM 1512|Exceparl IPM|Exceparl IPML|FEMA 3556|FEMA No. 3556|IPM|IPM 100|IPM-EX|IPM-R|Iso-propyl N-tetradecanoate|Isomyst|isopropyl myristate|Isopropyl myristate-PM|Isopropyl tetradecanoic acid|Isopropylmyristat|JA-FA IPM|Kessco IPM|Kessco isopropyl myristate|Kesscomir|Kollicream IPM|Lexol IPM|Liponate IPM|Matlube IPM-S|Methylethyl tetradecanoate|miristato de isopropilo|Myristate d'isopropyle|MYRISTATE, ISOPROPYL|Myristic acid isopropyl ester|Myristic acid, isopropyl ester|MYRISTINSAEURE-ISOPROPYLESTER|Nikkol IPM|Nikkol IPM 100|Nikkol IPM-EX|NSC 406280|Pastell IP 14|Pelemol IPM|Plymoutm IPM|Promyr|Propan-2-yl tetradecanoate|Radia 7190|Radia 77|1405-98-7|852553-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026838
ERPathway2016 ERPathway2016_1133 Isopropyl tetradecanoate 110-27-0 DTXSID0026838 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCC(=O)OC(C)C Isopropyl tetradecanoate 110-27-0|Isopropyl tetradecanoate|1-Methylethyl tetradecanoate|1-Tridecanecarboxylic acid, isopropyl ester|203-751-4|Bisomel|BRN 1781127|Caswell No. 511E|Crodacol IPM|Crodamol 1PM|Crodamol I.P.M.|Crodamol IPM|D 50|D 50 (emollient)|Deltyl Extra|Deltylextra|EC No.: 203-751-4|EINECS 203-751-4|Emcol IM|Emcol-IM|Emerest 2314|EPA Pesticide Chemical Code 000207|Estergel|Estergel (TN)|Estol 1512|Estol 1514|Estol IPM 1512|Exceparl IPM|Exceparl IPML|FEMA 3556|FEMA No. 3556|IPM|IPM 100|IPM-EX|IPM-R|Iso-propyl N-tetradecanoate|Isomyst|isopropyl myristate|Isopropyl myristate-PM|Isopropyl tetradecanoic acid|Isopropylmyristat|JA-FA IPM|Kessco IPM|Kessco isopropyl myristate|Kesscomir|Kollicream IPM|Lexol IPM|Liponate IPM|Matlube IPM-S|Methylethyl tetradecanoate|miristato de isopropilo|Myristate d'isopropyle|MYRISTATE, ISOPROPYL|Myristic acid isopropyl ester|Myristic acid, isopropyl ester|MYRISTINSAEURE-ISOPROPYLESTER|Nikkol IPM|Nikkol IPM 100|Nikkol IPM-EX|NSC 406280|Pastell IP 14|Pelemol IPM|Plymoutm IPM|Promyr|Propan-2-yl tetradecanoate|Radia 7190|Radia 77|1405-98-7|852553-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026838
ERPathway2016 ERPathway2016_1133 Isopropyl tetradecanoate 110-27-0 DTXSID0026838 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCC(=O)OC(C)C Isopropyl tetradecanoate 110-27-0|Isopropyl tetradecanoate|1-Methylethyl tetradecanoate|1-Tridecanecarboxylic acid, isopropyl ester|203-751-4|Bisomel|BRN 1781127|Caswell No. 511E|Crodacol IPM|Crodamol 1PM|Crodamol I.P.M.|Crodamol IPM|D 50|D 50 (emollient)|Deltyl Extra|Deltylextra|EC No.: 203-751-4|EINECS 203-751-4|Emcol IM|Emcol-IM|Emerest 2314|EPA Pesticide Chemical Code 000207|Estergel|Estergel (TN)|Estol 1512|Estol 1514|Estol IPM 1512|Exceparl IPM|Exceparl IPML|FEMA 3556|FEMA No. 3556|IPM|IPM 100|IPM-EX|IPM-R|Iso-propyl N-tetradecanoate|Isomyst|isopropyl myristate|Isopropyl myristate-PM|Isopropyl tetradecanoic acid|Isopropylmyristat|JA-FA IPM|Kessco IPM|Kessco isopropyl myristate|Kesscomir|Kollicream IPM|Lexol IPM|Liponate IPM|Matlube IPM-S|Methylethyl tetradecanoate|miristato de isopropilo|Myristate d'isopropyle|MYRISTATE, ISOPROPYL|Myristic acid isopropyl ester|Myristic acid, isopropyl ester|MYRISTINSAEURE-ISOPROPYLESTER|Nikkol IPM|Nikkol IPM 100|Nikkol IPM-EX|NSC 406280|Pastell IP 14|Pelemol IPM|Plymoutm IPM|Promyr|Propan-2-yl tetradecanoate|Radia 7190|Radia 77|1405-98-7|852553-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026838
ERPathway2016 ERPathway2016_1133 Isopropyl tetradecanoate 110-27-0 DTXSID0026838 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCC(=O)OC(C)C Isopropyl tetradecanoate 110-27-0|Isopropyl tetradecanoate|1-Methylethyl tetradecanoate|1-Tridecanecarboxylic acid, isopropyl ester|203-751-4|Bisomel|BRN 1781127|Caswell No. 511E|Crodacol IPM|Crodamol 1PM|Crodamol I.P.M.|Crodamol IPM|D 50|D 50 (emollient)|Deltyl Extra|Deltylextra|EC No.: 203-751-4|EINECS 203-751-4|Emcol IM|Emcol-IM|Emerest 2314|EPA Pesticide Chemical Code 000207|Estergel|Estergel (TN)|Estol 1512|Estol 1514|Estol IPM 1512|Exceparl IPM|Exceparl IPML|FEMA 3556|FEMA No. 3556|IPM|IPM 100|IPM-EX|IPM-R|Iso-propyl N-tetradecanoate|Isomyst|isopropyl myristate|Isopropyl myristate-PM|Isopropyl tetradecanoic acid|Isopropylmyristat|JA-FA IPM|Kessco IPM|Kessco isopropyl myristate|Kesscomir|Kollicream IPM|Lexol IPM|Liponate IPM|Matlube IPM-S|Methylethyl tetradecanoate|miristato de isopropilo|Myristate d'isopropyle|MYRISTATE, ISOPROPYL|Myristic acid isopropyl ester|Myristic acid, isopropyl ester|MYRISTINSAEURE-ISOPROPYLESTER|Nikkol IPM|Nikkol IPM 100|Nikkol IPM-EX|NSC 406280|Pastell IP 14|Pelemol IPM|Plymoutm IPM|Promyr|Propan-2-yl tetradecanoate|Radia 7190|Radia 77|1405-98-7|852553-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026838
ERPathway2016 ERPathway2016_1133 Isopropyl tetradecanoate 110-27-0 DTXSID0026838 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCC(=O)OC(C)C Isopropyl tetradecanoate 110-27-0|Isopropyl tetradecanoate|1-Methylethyl tetradecanoate|1-Tridecanecarboxylic acid, isopropyl ester|203-751-4|Bisomel|BRN 1781127|Caswell No. 511E|Crodacol IPM|Crodamol 1PM|Crodamol I.P.M.|Crodamol IPM|D 50|D 50 (emollient)|Deltyl Extra|Deltylextra|EC No.: 203-751-4|EINECS 203-751-4|Emcol IM|Emcol-IM|Emerest 2314|EPA Pesticide Chemical Code 000207|Estergel|Estergel (TN)|Estol 1512|Estol 1514|Estol IPM 1512|Exceparl IPM|Exceparl IPML|FEMA 3556|FEMA No. 3556|IPM|IPM 100|IPM-EX|IPM-R|Iso-propyl N-tetradecanoate|Isomyst|isopropyl myristate|Isopropyl myristate-PM|Isopropyl tetradecanoic acid|Isopropylmyristat|JA-FA IPM|Kessco IPM|Kessco isopropyl myristate|Kesscomir|Kollicream IPM|Lexol IPM|Liponate IPM|Matlube IPM-S|Methylethyl tetradecanoate|miristato de isopropilo|Myristate d'isopropyle|MYRISTATE, ISOPROPYL|Myristic acid isopropyl ester|Myristic acid, isopropyl ester|MYRISTINSAEURE-ISOPROPYLESTER|Nikkol IPM|Nikkol IPM 100|Nikkol IPM-EX|NSC 406280|Pastell IP 14|Pelemol IPM|Plymoutm IPM|Promyr|Propan-2-yl tetradecanoate|Radia 7190|Radia 77|1405-98-7|852553-53-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026838
ARPathway2016 ARPathway2016_1172 Isopropyl triethanolamine titanate 36673-16-2 DTXSID7044928 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)O[Ti](OCCN(CCO)CCO)(OCCN(CCO)CCO)OC(C)C Isopropyl triethanolamine titanate 36673-16-2|Isopropyl triethanolamine titanate|Bis(bis(2-hydroxyethyl)aminoethyl) diisopropyl titanate|Diisopropoxybis(2-(bis(2-hydroxyethyl)amino)ethoxy)titanium|EINECS 253-153-2|NSC 5285|Titanium, bis[2-[bis(2-hydroxyethyl)amino-.kappa.N]ethanolato-.kappa.O]bis(2-propanolato)-|Titanium(4+) 2-[bis(2-hydroxyethyl)amino]ethanolate propan-2-olate (1:2:2)|14789-03-8|29664-04-8|39333-78-3|41536-21-4|55945-91-0|70645-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044928
ARPathway2016 ARPathway2016_1172 Isopropyl triethanolamine titanate 36673-16-2 DTXSID7044928 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)O[Ti](OCCN(CCO)CCO)(OCCN(CCO)CCO)OC(C)C Isopropyl triethanolamine titanate 36673-16-2|Isopropyl triethanolamine titanate|Bis(bis(2-hydroxyethyl)aminoethyl) diisopropyl titanate|Diisopropoxybis(2-(bis(2-hydroxyethyl)amino)ethoxy)titanium|EINECS 253-153-2|NSC 5285|Titanium, bis[2-[bis(2-hydroxyethyl)amino-.kappa.N]ethanolato-.kappa.O]bis(2-propanolato)-|Titanium(4+) 2-[bis(2-hydroxyethyl)amino]ethanolate propan-2-olate (1:2:2)|14789-03-8|29664-04-8|39333-78-3|41536-21-4|55945-91-0|70645-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044928
ARPathway2016 ARPathway2016_1172 Isopropyl triethanolamine titanate 36673-16-2 DTXSID7044928 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)O[Ti](OCCN(CCO)CCO)(OCCN(CCO)CCO)OC(C)C Isopropyl triethanolamine titanate 36673-16-2|Isopropyl triethanolamine titanate|Bis(bis(2-hydroxyethyl)aminoethyl) diisopropyl titanate|Diisopropoxybis(2-(bis(2-hydroxyethyl)amino)ethoxy)titanium|EINECS 253-153-2|NSC 5285|Titanium, bis[2-[bis(2-hydroxyethyl)amino-.kappa.N]ethanolato-.kappa.O]bis(2-propanolato)-|Titanium(4+) 2-[bis(2-hydroxyethyl)amino]ethanolate propan-2-olate (1:2:2)|14789-03-8|29664-04-8|39333-78-3|41536-21-4|55945-91-0|70645-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044928
ARPathway2016 ARPathway2016_1172 Isopropyl triethanolamine titanate 36673-16-2 DTXSID7044928 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)O[Ti](OCCN(CCO)CCO)(OCCN(CCO)CCO)OC(C)C Isopropyl triethanolamine titanate 36673-16-2|Isopropyl triethanolamine titanate|Bis(bis(2-hydroxyethyl)aminoethyl) diisopropyl titanate|Diisopropoxybis(2-(bis(2-hydroxyethyl)amino)ethoxy)titanium|EINECS 253-153-2|NSC 5285|Titanium, bis[2-[bis(2-hydroxyethyl)amino-.kappa.N]ethanolato-.kappa.O]bis(2-propanolato)-|Titanium(4+) 2-[bis(2-hydroxyethyl)amino]ethanolate propan-2-olate (1:2:2)|14789-03-8|29664-04-8|39333-78-3|41536-21-4|55945-91-0|70645-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044928
ARPathway2016 ARPathway2016_1240 Isopropyl-o-cresol 499-75-2 DTXSID6042074 1.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC=C(C)C(O)=C1 Isopropyl-o-cresol 499-75-2|Isopropyl-o-cresol|1-Hydroxy-2-methyl-5-isopropylbenzene|1-Methyl-2-hydroxy-4-isopropylbenzene|2-Hydroxy-1-methyl-4-(1-methylethyl)benzene|2-Hydroxy-4-isopropyl-1-methylbenzene|2-Hydroxy-p-cymene|2-Hydroxycymene|2-Methyl-5-(1-methylethyl)-Phenol|2-Methyl-5-(1-methylethyl)phenol|2-Methyl-5-isopropylphenol|2-p-Cymenol|3-Isopropyl-6-methyl-Phenol|3-Isopropyl-6-methylphenol|4-06-00-03331|5-Isopropyl-2-methyl-Phenol|5-Isopropyl-2-methylphenol|5-Isopropyl-o-cresol|6-Methyl-3-isopropylphenol|Antioxine|BENZENE,2-HYDROXY,4-ISOPROPYL,1-METHYL CARVACROL|BRN 1860514|Carvacrol|Caswell No. 511|Cymene-2-ol, p-|Cymenol|Cymophenol|EINECS 207-889-6|EPA Pesticide Chemical Code 022104|FEMA 2245|FEMA No. 2245|Hydroxy-p-cymene|Isopropyl o-cresol|Isothymol|Isothymol (=2-Isopropyl-4-methyl phenol)|Karvakrol|Methyl-5-(1-methylethyl)phenol|NSC 6188|o-Cresol, 5-isopropyl-|O-Thymol|Oxycymol|p-Cymen-2-ol|p-Cymene-2-ol|p-Cymene, 2-hydroxy-|p-Mentha-1,3,5-trien-2-ol|Phenol, 2-methyl-5-(1-methylethyl)-|PHENOL, 2-METHYL-5-ISOPROPYL-|Phenol, 3-isopropyl-6-methy https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042074
ARPathway2016 ARPathway2016_1240 Isopropyl-o-cresol 499-75-2 DTXSID6042074 1.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CC=C(C)C(O)=C1 Isopropyl-o-cresol 499-75-2|Isopropyl-o-cresol|1-Hydroxy-2-methyl-5-isopropylbenzene|1-Methyl-2-hydroxy-4-isopropylbenzene|2-Hydroxy-1-methyl-4-(1-methylethyl)benzene|2-Hydroxy-4-isopropyl-1-methylbenzene|2-Hydroxy-p-cymene|2-Hydroxycymene|2-Methyl-5-(1-methylethyl)-Phenol|2-Methyl-5-(1-methylethyl)phenol|2-Methyl-5-isopropylphenol|2-p-Cymenol|3-Isopropyl-6-methyl-Phenol|3-Isopropyl-6-methylphenol|4-06-00-03331|5-Isopropyl-2-methyl-Phenol|5-Isopropyl-2-methylphenol|5-Isopropyl-o-cresol|6-Methyl-3-isopropylphenol|Antioxine|BENZENE,2-HYDROXY,4-ISOPROPYL,1-METHYL CARVACROL|BRN 1860514|Carvacrol|Caswell No. 511|Cymene-2-ol, p-|Cymenol|Cymophenol|EINECS 207-889-6|EPA Pesticide Chemical Code 022104|FEMA 2245|FEMA No. 2245|Hydroxy-p-cymene|Isopropyl o-cresol|Isothymol|Isothymol (=2-Isopropyl-4-methyl phenol)|Karvakrol|Methyl-5-(1-methylethyl)phenol|NSC 6188|o-Cresol, 5-isopropyl-|O-Thymol|Oxycymol|p-Cymen-2-ol|p-Cymene-2-ol|p-Cymene, 2-hydroxy-|p-Mentha-1,3,5-trien-2-ol|Phenol, 2-methyl-5-(1-methylethyl)-|PHENOL, 2-METHYL-5-ISOPROPYL-|Phenol, 3-isopropyl-6-methy https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042074
ARPathway2016 ARPathway2016_1240 Isopropyl-o-cresol 499-75-2 DTXSID6042074 1.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC=C(C)C(O)=C1 Isopropyl-o-cresol 499-75-2|Isopropyl-o-cresol|1-Hydroxy-2-methyl-5-isopropylbenzene|1-Methyl-2-hydroxy-4-isopropylbenzene|2-Hydroxy-1-methyl-4-(1-methylethyl)benzene|2-Hydroxy-4-isopropyl-1-methylbenzene|2-Hydroxy-p-cymene|2-Hydroxycymene|2-Methyl-5-(1-methylethyl)-Phenol|2-Methyl-5-(1-methylethyl)phenol|2-Methyl-5-isopropylphenol|2-p-Cymenol|3-Isopropyl-6-methyl-Phenol|3-Isopropyl-6-methylphenol|4-06-00-03331|5-Isopropyl-2-methyl-Phenol|5-Isopropyl-2-methylphenol|5-Isopropyl-o-cresol|6-Methyl-3-isopropylphenol|Antioxine|BENZENE,2-HYDROXY,4-ISOPROPYL,1-METHYL CARVACROL|BRN 1860514|Carvacrol|Caswell No. 511|Cymene-2-ol, p-|Cymenol|Cymophenol|EINECS 207-889-6|EPA Pesticide Chemical Code 022104|FEMA 2245|FEMA No. 2245|Hydroxy-p-cymene|Isopropyl o-cresol|Isothymol|Isothymol (=2-Isopropyl-4-methyl phenol)|Karvakrol|Methyl-5-(1-methylethyl)phenol|NSC 6188|o-Cresol, 5-isopropyl-|O-Thymol|Oxycymol|p-Cymen-2-ol|p-Cymene-2-ol|p-Cymene, 2-hydroxy-|p-Mentha-1,3,5-trien-2-ol|Phenol, 2-methyl-5-(1-methylethyl)-|PHENOL, 2-METHYL-5-ISOPROPYL-|Phenol, 3-isopropyl-6-methy https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042074
ARPathway2016 ARPathway2016_1240 Isopropyl-o-cresol 499-75-2 DTXSID6042074 1.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC=C(C)C(O)=C1 Isopropyl-o-cresol 499-75-2|Isopropyl-o-cresol|1-Hydroxy-2-methyl-5-isopropylbenzene|1-Methyl-2-hydroxy-4-isopropylbenzene|2-Hydroxy-1-methyl-4-(1-methylethyl)benzene|2-Hydroxy-4-isopropyl-1-methylbenzene|2-Hydroxy-p-cymene|2-Hydroxycymene|2-Methyl-5-(1-methylethyl)-Phenol|2-Methyl-5-(1-methylethyl)phenol|2-Methyl-5-isopropylphenol|2-p-Cymenol|3-Isopropyl-6-methyl-Phenol|3-Isopropyl-6-methylphenol|4-06-00-03331|5-Isopropyl-2-methyl-Phenol|5-Isopropyl-2-methylphenol|5-Isopropyl-o-cresol|6-Methyl-3-isopropylphenol|Antioxine|BENZENE,2-HYDROXY,4-ISOPROPYL,1-METHYL CARVACROL|BRN 1860514|Carvacrol|Caswell No. 511|Cymene-2-ol, p-|Cymenol|Cymophenol|EINECS 207-889-6|EPA Pesticide Chemical Code 022104|FEMA 2245|FEMA No. 2245|Hydroxy-p-cymene|Isopropyl o-cresol|Isothymol|Isothymol (=2-Isopropyl-4-methyl phenol)|Karvakrol|Methyl-5-(1-methylethyl)phenol|NSC 6188|o-Cresol, 5-isopropyl-|O-Thymol|Oxycymol|p-Cymen-2-ol|p-Cymene-2-ol|p-Cymene, 2-hydroxy-|p-Mentha-1,3,5-trien-2-ol|Phenol, 2-methyl-5-(1-methylethyl)-|PHENOL, 2-METHYL-5-ISOPROPYL-|Phenol, 3-isopropyl-6-methy https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042074
ERPathway2016 ERPathway2016_935 Isopropyl-o-cresol 499-75-2 DTXSID6042074 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CC=C(C)C(O)=C1 Isopropyl-o-cresol 499-75-2|Isopropyl-o-cresol|1-Hydroxy-2-methyl-5-isopropylbenzene|1-Methyl-2-hydroxy-4-isopropylbenzene|2-Hydroxy-1-methyl-4-(1-methylethyl)benzene|2-Hydroxy-4-isopropyl-1-methylbenzene|2-Hydroxy-p-cymene|2-Hydroxycymene|2-Methyl-5-(1-methylethyl)-Phenol|2-Methyl-5-(1-methylethyl)phenol|2-Methyl-5-isopropylphenol|2-p-Cymenol|3-Isopropyl-6-methyl-Phenol|3-Isopropyl-6-methylphenol|4-06-00-03331|5-Isopropyl-2-methyl-Phenol|5-Isopropyl-2-methylphenol|5-Isopropyl-o-cresol|6-Methyl-3-isopropylphenol|Antioxine|BENZENE,2-HYDROXY,4-ISOPROPYL,1-METHYL CARVACROL|BRN 1860514|Carvacrol|Caswell No. 511|Cymene-2-ol, p-|Cymenol|Cymophenol|EINECS 207-889-6|EPA Pesticide Chemical Code 022104|FEMA 2245|FEMA No. 2245|Hydroxy-p-cymene|Isopropyl o-cresol|Isothymol|Isothymol (=2-Isopropyl-4-methyl phenol)|Karvakrol|Methyl-5-(1-methylethyl)phenol|NSC 6188|o-Cresol, 5-isopropyl-|O-Thymol|Oxycymol|p-Cymen-2-ol|p-Cymene-2-ol|p-Cymene, 2-hydroxy-|p-Mentha-1,3,5-trien-2-ol|Phenol, 2-methyl-5-(1-methylethyl)-|PHENOL, 2-METHYL-5-ISOPROPYL-|Phenol, 3-isopropyl-6-methy https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042074
ERPathway2016 ERPathway2016_935 Isopropyl-o-cresol 499-75-2 DTXSID6042074 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC=C(C)C(O)=C1 Isopropyl-o-cresol 499-75-2|Isopropyl-o-cresol|1-Hydroxy-2-methyl-5-isopropylbenzene|1-Methyl-2-hydroxy-4-isopropylbenzene|2-Hydroxy-1-methyl-4-(1-methylethyl)benzene|2-Hydroxy-4-isopropyl-1-methylbenzene|2-Hydroxy-p-cymene|2-Hydroxycymene|2-Methyl-5-(1-methylethyl)-Phenol|2-Methyl-5-(1-methylethyl)phenol|2-Methyl-5-isopropylphenol|2-p-Cymenol|3-Isopropyl-6-methyl-Phenol|3-Isopropyl-6-methylphenol|4-06-00-03331|5-Isopropyl-2-methyl-Phenol|5-Isopropyl-2-methylphenol|5-Isopropyl-o-cresol|6-Methyl-3-isopropylphenol|Antioxine|BENZENE,2-HYDROXY,4-ISOPROPYL,1-METHYL CARVACROL|BRN 1860514|Carvacrol|Caswell No. 511|Cymene-2-ol, p-|Cymenol|Cymophenol|EINECS 207-889-6|EPA Pesticide Chemical Code 022104|FEMA 2245|FEMA No. 2245|Hydroxy-p-cymene|Isopropyl o-cresol|Isothymol|Isothymol (=2-Isopropyl-4-methyl phenol)|Karvakrol|Methyl-5-(1-methylethyl)phenol|NSC 6188|o-Cresol, 5-isopropyl-|O-Thymol|Oxycymol|p-Cymen-2-ol|p-Cymene-2-ol|p-Cymene, 2-hydroxy-|p-Mentha-1,3,5-trien-2-ol|Phenol, 2-methyl-5-(1-methylethyl)-|PHENOL, 2-METHYL-5-ISOPROPYL-|Phenol, 3-isopropyl-6-methy https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042074
ERPathway2016 ERPathway2016_935 Isopropyl-o-cresol 499-75-2 DTXSID6042074 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC=C(C)C(O)=C1 Isopropyl-o-cresol 499-75-2|Isopropyl-o-cresol|1-Hydroxy-2-methyl-5-isopropylbenzene|1-Methyl-2-hydroxy-4-isopropylbenzene|2-Hydroxy-1-methyl-4-(1-methylethyl)benzene|2-Hydroxy-4-isopropyl-1-methylbenzene|2-Hydroxy-p-cymene|2-Hydroxycymene|2-Methyl-5-(1-methylethyl)-Phenol|2-Methyl-5-(1-methylethyl)phenol|2-Methyl-5-isopropylphenol|2-p-Cymenol|3-Isopropyl-6-methyl-Phenol|3-Isopropyl-6-methylphenol|4-06-00-03331|5-Isopropyl-2-methyl-Phenol|5-Isopropyl-2-methylphenol|5-Isopropyl-o-cresol|6-Methyl-3-isopropylphenol|Antioxine|BENZENE,2-HYDROXY,4-ISOPROPYL,1-METHYL CARVACROL|BRN 1860514|Carvacrol|Caswell No. 511|Cymene-2-ol, p-|Cymenol|Cymophenol|EINECS 207-889-6|EPA Pesticide Chemical Code 022104|FEMA 2245|FEMA No. 2245|Hydroxy-p-cymene|Isopropyl o-cresol|Isothymol|Isothymol (=2-Isopropyl-4-methyl phenol)|Karvakrol|Methyl-5-(1-methylethyl)phenol|NSC 6188|o-Cresol, 5-isopropyl-|O-Thymol|Oxycymol|p-Cymen-2-ol|p-Cymene-2-ol|p-Cymene, 2-hydroxy-|p-Mentha-1,3,5-trien-2-ol|Phenol, 2-methyl-5-(1-methylethyl)-|PHENOL, 2-METHYL-5-ISOPROPYL-|Phenol, 3-isopropyl-6-methy https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042074
ERPathway2016 ERPathway2016_935 Isopropyl-o-cresol 499-75-2 DTXSID6042074 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC=C(C)C(O)=C1 Isopropyl-o-cresol 499-75-2|Isopropyl-o-cresol|1-Hydroxy-2-methyl-5-isopropylbenzene|1-Methyl-2-hydroxy-4-isopropylbenzene|2-Hydroxy-1-methyl-4-(1-methylethyl)benzene|2-Hydroxy-4-isopropyl-1-methylbenzene|2-Hydroxy-p-cymene|2-Hydroxycymene|2-Methyl-5-(1-methylethyl)-Phenol|2-Methyl-5-(1-methylethyl)phenol|2-Methyl-5-isopropylphenol|2-p-Cymenol|3-Isopropyl-6-methyl-Phenol|3-Isopropyl-6-methylphenol|4-06-00-03331|5-Isopropyl-2-methyl-Phenol|5-Isopropyl-2-methylphenol|5-Isopropyl-o-cresol|6-Methyl-3-isopropylphenol|Antioxine|BENZENE,2-HYDROXY,4-ISOPROPYL,1-METHYL CARVACROL|BRN 1860514|Carvacrol|Caswell No. 511|Cymene-2-ol, p-|Cymenol|Cymophenol|EINECS 207-889-6|EPA Pesticide Chemical Code 022104|FEMA 2245|FEMA No. 2245|Hydroxy-p-cymene|Isopropyl o-cresol|Isothymol|Isothymol (=2-Isopropyl-4-methyl phenol)|Karvakrol|Methyl-5-(1-methylethyl)phenol|NSC 6188|o-Cresol, 5-isopropyl-|O-Thymol|Oxycymol|p-Cymen-2-ol|p-Cymene-2-ol|p-Cymene, 2-hydroxy-|p-Mentha-1,3,5-trien-2-ol|Phenol, 2-methyl-5-(1-methylethyl)-|PHENOL, 2-METHYL-5-ISOPROPYL-|Phenol, 3-isopropyl-6-methy https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042074
ARPathway2016 ARPathway2016_1259 Isoproterenol hydrochloride 51-30-9 DTXSID6025486 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.CC(C)NCC(O)C1=CC(O)=C(O)C=C1 Isoproterenol hydrochloride 51-30-9|Isoproterenol hydrochloride|(+/-)-Isoprenaline hydrochloride|(+/-)-Isopropylnoradrenaline hydrochloride|(+/-)-Isoproterenol hydrochloride|(+-)-Isoproterenol hydrochloride|1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol hydrochloride|1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride|1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride (1:1)|3,4-Dihydroxy-alpha-((isopropylamino)methyl)benzyl alcohol hydrochloride|3,4-Dihydroxy-a-(isopropylaminomethyl)benzyl alcohol hydrochloride|Aerolone|Aerotrol|alpha-(Isopropylaminomethyl)-3,4-dihydroxybenzyl alcohol hydrochloride|Asthpul|Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)-, hydrochloride|DL-4-(2-(isopropylamino)-1-hydroxyethyl)pyrocatechol hydrochloride|dl-Isadrine hydrochloride|dl-Isoprenaline hydrochloride|dl-Isopropylnoradrenaline hydrochloride|dl-Isopropylnorepinephrine hydrochloride|DL-Isoproterenol hydrochloride|EINECS 200-089-8|Euspiran|Isadrine|Isomenyl|Isoprel|isoprenalina, clorhidrato|Isoprenaline chloride|isopren|1336-89-6|71249-42-8|949-36-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025486 https://doi.org/10.22427/NTP-DATA-DTXSID6025486
ARPathway2016 ARPathway2016_1259 Isoproterenol hydrochloride 51-30-9 DTXSID6025486 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cl.CC(C)NCC(O)C1=CC(O)=C(O)C=C1 Isoproterenol hydrochloride 51-30-9|Isoproterenol hydrochloride|(+/-)-Isoprenaline hydrochloride|(+/-)-Isopropylnoradrenaline hydrochloride|(+/-)-Isoproterenol hydrochloride|(+-)-Isoproterenol hydrochloride|1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol hydrochloride|1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride|1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride (1:1)|3,4-Dihydroxy-alpha-((isopropylamino)methyl)benzyl alcohol hydrochloride|3,4-Dihydroxy-a-(isopropylaminomethyl)benzyl alcohol hydrochloride|Aerolone|Aerotrol|alpha-(Isopropylaminomethyl)-3,4-dihydroxybenzyl alcohol hydrochloride|Asthpul|Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)-, hydrochloride|DL-4-(2-(isopropylamino)-1-hydroxyethyl)pyrocatechol hydrochloride|dl-Isadrine hydrochloride|dl-Isoprenaline hydrochloride|dl-Isopropylnoradrenaline hydrochloride|dl-Isopropylnorepinephrine hydrochloride|DL-Isoproterenol hydrochloride|EINECS 200-089-8|Euspiran|Isadrine|Isomenyl|Isoprel|isoprenalina, clorhidrato|Isoprenaline chloride|isopren|1336-89-6|71249-42-8|949-36-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025486 https://doi.org/10.22427/NTP-DATA-DTXSID6025486
ARPathway2016 ARPathway2016_1259 Isoproterenol hydrochloride 51-30-9 DTXSID6025486 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cl.CC(C)NCC(O)C1=CC(O)=C(O)C=C1 Isoproterenol hydrochloride 51-30-9|Isoproterenol hydrochloride|(+/-)-Isoprenaline hydrochloride|(+/-)-Isopropylnoradrenaline hydrochloride|(+/-)-Isoproterenol hydrochloride|(+-)-Isoproterenol hydrochloride|1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol hydrochloride|1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride|1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride (1:1)|3,4-Dihydroxy-alpha-((isopropylamino)methyl)benzyl alcohol hydrochloride|3,4-Dihydroxy-a-(isopropylaminomethyl)benzyl alcohol hydrochloride|Aerolone|Aerotrol|alpha-(Isopropylaminomethyl)-3,4-dihydroxybenzyl alcohol hydrochloride|Asthpul|Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)-, hydrochloride|DL-4-(2-(isopropylamino)-1-hydroxyethyl)pyrocatechol hydrochloride|dl-Isadrine hydrochloride|dl-Isoprenaline hydrochloride|dl-Isopropylnoradrenaline hydrochloride|dl-Isopropylnorepinephrine hydrochloride|DL-Isoproterenol hydrochloride|EINECS 200-089-8|Euspiran|Isadrine|Isomenyl|Isoprel|isoprenalina, clorhidrato|Isoprenaline chloride|isopren|1336-89-6|71249-42-8|949-36-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025486 https://doi.org/10.22427/NTP-DATA-DTXSID6025486
ARPathway2016 ARPathway2016_1259 Isoproterenol hydrochloride 51-30-9 DTXSID6025486 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cl.CC(C)NCC(O)C1=CC(O)=C(O)C=C1 Isoproterenol hydrochloride 51-30-9|Isoproterenol hydrochloride|(+/-)-Isoprenaline hydrochloride|(+/-)-Isopropylnoradrenaline hydrochloride|(+/-)-Isoproterenol hydrochloride|(+-)-Isoproterenol hydrochloride|1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol hydrochloride|1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride|1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride (1:1)|3,4-Dihydroxy-alpha-((isopropylamino)methyl)benzyl alcohol hydrochloride|3,4-Dihydroxy-a-(isopropylaminomethyl)benzyl alcohol hydrochloride|Aerolone|Aerotrol|alpha-(Isopropylaminomethyl)-3,4-dihydroxybenzyl alcohol hydrochloride|Asthpul|Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)-, hydrochloride|DL-4-(2-(isopropylamino)-1-hydroxyethyl)pyrocatechol hydrochloride|dl-Isadrine hydrochloride|dl-Isoprenaline hydrochloride|dl-Isopropylnoradrenaline hydrochloride|dl-Isopropylnorepinephrine hydrochloride|DL-Isoproterenol hydrochloride|EINECS 200-089-8|Euspiran|Isadrine|Isomenyl|Isoprel|isoprenalina, clorhidrato|Isoprenaline chloride|isopren|1336-89-6|71249-42-8|949-36-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025486 https://doi.org/10.22427/NTP-DATA-DTXSID6025486
ERPathway2016 ERPathway2016_1504 Isoproterenol hydrochloride 51-30-9 DTXSID6025486 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CC(C)NCC(O)C1=CC(O)=C(O)C=C1 Isoproterenol hydrochloride 51-30-9|Isoproterenol hydrochloride|(+/-)-Isoprenaline hydrochloride|(+/-)-Isopropylnoradrenaline hydrochloride|(+/-)-Isoproterenol hydrochloride|(+-)-Isoproterenol hydrochloride|1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol hydrochloride|1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride|1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride (1:1)|3,4-Dihydroxy-alpha-((isopropylamino)methyl)benzyl alcohol hydrochloride|3,4-Dihydroxy-a-(isopropylaminomethyl)benzyl alcohol hydrochloride|Aerolone|Aerotrol|alpha-(Isopropylaminomethyl)-3,4-dihydroxybenzyl alcohol hydrochloride|Asthpul|Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)-, hydrochloride|DL-4-(2-(isopropylamino)-1-hydroxyethyl)pyrocatechol hydrochloride|dl-Isadrine hydrochloride|dl-Isoprenaline hydrochloride|dl-Isopropylnoradrenaline hydrochloride|dl-Isopropylnorepinephrine hydrochloride|DL-Isoproterenol hydrochloride|EINECS 200-089-8|Euspiran|Isadrine|Isomenyl|Isoprel|isoprenalina, clorhidrato|Isoprenaline chloride|isopren|1336-89-6|71249-42-8|949-36-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025486 https://doi.org/10.22427/NTP-DATA-DTXSID6025486
ERPathway2016 ERPathway2016_1504 Isoproterenol hydrochloride 51-30-9 DTXSID6025486 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CC(C)NCC(O)C1=CC(O)=C(O)C=C1 Isoproterenol hydrochloride 51-30-9|Isoproterenol hydrochloride|(+/-)-Isoprenaline hydrochloride|(+/-)-Isopropylnoradrenaline hydrochloride|(+/-)-Isoproterenol hydrochloride|(+-)-Isoproterenol hydrochloride|1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol hydrochloride|1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride|1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride (1:1)|3,4-Dihydroxy-alpha-((isopropylamino)methyl)benzyl alcohol hydrochloride|3,4-Dihydroxy-a-(isopropylaminomethyl)benzyl alcohol hydrochloride|Aerolone|Aerotrol|alpha-(Isopropylaminomethyl)-3,4-dihydroxybenzyl alcohol hydrochloride|Asthpul|Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)-, hydrochloride|DL-4-(2-(isopropylamino)-1-hydroxyethyl)pyrocatechol hydrochloride|dl-Isadrine hydrochloride|dl-Isoprenaline hydrochloride|dl-Isopropylnoradrenaline hydrochloride|dl-Isopropylnorepinephrine hydrochloride|DL-Isoproterenol hydrochloride|EINECS 200-089-8|Euspiran|Isadrine|Isomenyl|Isoprel|isoprenalina, clorhidrato|Isoprenaline chloride|isopren|1336-89-6|71249-42-8|949-36-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025486 https://doi.org/10.22427/NTP-DATA-DTXSID6025486
ERPathway2016 ERPathway2016_1504 Isoproterenol hydrochloride 51-30-9 DTXSID6025486 ER Pathway Model, Agonist Call Inactive Unitless Cl.CC(C)NCC(O)C1=CC(O)=C(O)C=C1 Isoproterenol hydrochloride 51-30-9|Isoproterenol hydrochloride|(+/-)-Isoprenaline hydrochloride|(+/-)-Isopropylnoradrenaline hydrochloride|(+/-)-Isoproterenol hydrochloride|(+-)-Isoproterenol hydrochloride|1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol hydrochloride|1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride|1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride (1:1)|3,4-Dihydroxy-alpha-((isopropylamino)methyl)benzyl alcohol hydrochloride|3,4-Dihydroxy-a-(isopropylaminomethyl)benzyl alcohol hydrochloride|Aerolone|Aerotrol|alpha-(Isopropylaminomethyl)-3,4-dihydroxybenzyl alcohol hydrochloride|Asthpul|Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)-, hydrochloride|DL-4-(2-(isopropylamino)-1-hydroxyethyl)pyrocatechol hydrochloride|dl-Isadrine hydrochloride|dl-Isoprenaline hydrochloride|dl-Isopropylnoradrenaline hydrochloride|dl-Isopropylnorepinephrine hydrochloride|DL-Isoproterenol hydrochloride|EINECS 200-089-8|Euspiran|Isadrine|Isomenyl|Isoprel|isoprenalina, clorhidrato|Isoprenaline chloride|isopren|1336-89-6|71249-42-8|949-36-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025486 https://doi.org/10.22427/NTP-DATA-DTXSID6025486
ERPathway2016 ERPathway2016_1504 Isoproterenol hydrochloride 51-30-9 DTXSID6025486 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CC(C)NCC(O)C1=CC(O)=C(O)C=C1 Isoproterenol hydrochloride 51-30-9|Isoproterenol hydrochloride|(+/-)-Isoprenaline hydrochloride|(+/-)-Isopropylnoradrenaline hydrochloride|(+/-)-Isoproterenol hydrochloride|(+-)-Isoproterenol hydrochloride|1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol hydrochloride|1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride|1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, hydrochloride (1:1)|3,4-Dihydroxy-alpha-((isopropylamino)methyl)benzyl alcohol hydrochloride|3,4-Dihydroxy-a-(isopropylaminomethyl)benzyl alcohol hydrochloride|Aerolone|Aerotrol|alpha-(Isopropylaminomethyl)-3,4-dihydroxybenzyl alcohol hydrochloride|Asthpul|Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)-, hydrochloride|DL-4-(2-(isopropylamino)-1-hydroxyethyl)pyrocatechol hydrochloride|dl-Isadrine hydrochloride|dl-Isoprenaline hydrochloride|dl-Isopropylnoradrenaline hydrochloride|dl-Isopropylnorepinephrine hydrochloride|DL-Isoproterenol hydrochloride|EINECS 200-089-8|Euspiran|Isadrine|Isomenyl|Isoprel|isoprenalina, clorhidrato|Isoprenaline chloride|isopren|1336-89-6|71249-42-8|949-36-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025486 https://doi.org/10.22427/NTP-DATA-DTXSID6025486
ARPathway2016 ARPathway2016_1624 Isoxaben 82558-50-7 DTXSID8024159 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(C)(CC)C1=NOC(NC(=O)C2=C(OC)C=CC=C2OC)=C1 Isoxaben 82558-50-7|Isoxaben|[N-[3-(1-ethyl-1-methylpropyl)-5-isoxazolyl]-2,6-dimethoxybenzamide]|2,6-Dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)benzamide|Benzamizole|Caswell No. 419F|Compound 121607|EL 107|EPA Pesticide Chemical Code 125851|Flexidor|Gallery|N-(3-(1-Ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide|N-(3-(1-Ethyl-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide|NA 8318|UNII-101V41EEA4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024159
ARPathway2016 ARPathway2016_1624 Isoxaben 82558-50-7 DTXSID8024159 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)(CC)C1=NOC(NC(=O)C2=C(OC)C=CC=C2OC)=C1 Isoxaben 82558-50-7|Isoxaben|[N-[3-(1-ethyl-1-methylpropyl)-5-isoxazolyl]-2,6-dimethoxybenzamide]|2,6-Dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)benzamide|Benzamizole|Caswell No. 419F|Compound 121607|EL 107|EPA Pesticide Chemical Code 125851|Flexidor|Gallery|N-(3-(1-Ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide|N-(3-(1-Ethyl-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide|NA 8318|UNII-101V41EEA4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024159
ARPathway2016 ARPathway2016_1624 Isoxaben 82558-50-7 DTXSID8024159 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless CCC(C)(CC)C1=NOC(NC(=O)C2=C(OC)C=CC=C2OC)=C1 Isoxaben 82558-50-7|Isoxaben|[N-[3-(1-ethyl-1-methylpropyl)-5-isoxazolyl]-2,6-dimethoxybenzamide]|2,6-Dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)benzamide|Benzamizole|Caswell No. 419F|Compound 121607|EL 107|EPA Pesticide Chemical Code 125851|Flexidor|Gallery|N-(3-(1-Ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide|N-(3-(1-Ethyl-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide|NA 8318|UNII-101V41EEA4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024159
ARPathway2016 ARPathway2016_1624 Isoxaben 82558-50-7 DTXSID8024159 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)(CC)C1=NOC(NC(=O)C2=C(OC)C=CC=C2OC)=C1 Isoxaben 82558-50-7|Isoxaben|[N-[3-(1-ethyl-1-methylpropyl)-5-isoxazolyl]-2,6-dimethoxybenzamide]|2,6-Dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)benzamide|Benzamizole|Caswell No. 419F|Compound 121607|EL 107|EPA Pesticide Chemical Code 125851|Flexidor|Gallery|N-(3-(1-Ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide|N-(3-(1-Ethyl-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide|NA 8318|UNII-101V41EEA4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024159
ERPathway2016 ERPathway2016_1693 Isoxaben 82558-50-7 DTXSID8024159 ER Pathway Model, Agonist Model Score 0 Unitless CCC(C)(CC)C1=NOC(NC(=O)C2=C(OC)C=CC=C2OC)=C1 Isoxaben 82558-50-7|Isoxaben|[N-[3-(1-ethyl-1-methylpropyl)-5-isoxazolyl]-2,6-dimethoxybenzamide]|2,6-Dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)benzamide|Benzamizole|Caswell No. 419F|Compound 121607|EL 107|EPA Pesticide Chemical Code 125851|Flexidor|Gallery|N-(3-(1-Ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide|N-(3-(1-Ethyl-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide|NA 8318|UNII-101V41EEA4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024159
ERPathway2016 ERPathway2016_1693 Isoxaben 82558-50-7 DTXSID8024159 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)(CC)C1=NOC(NC(=O)C2=C(OC)C=CC=C2OC)=C1 Isoxaben 82558-50-7|Isoxaben|[N-[3-(1-ethyl-1-methylpropyl)-5-isoxazolyl]-2,6-dimethoxybenzamide]|2,6-Dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)benzamide|Benzamizole|Caswell No. 419F|Compound 121607|EL 107|EPA Pesticide Chemical Code 125851|Flexidor|Gallery|N-(3-(1-Ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide|N-(3-(1-Ethyl-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide|NA 8318|UNII-101V41EEA4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024159
ERPathway2016 ERPathway2016_1693 Isoxaben 82558-50-7 DTXSID8024159 ER Pathway Model, Agonist Call Inactive Unitless CCC(C)(CC)C1=NOC(NC(=O)C2=C(OC)C=CC=C2OC)=C1 Isoxaben 82558-50-7|Isoxaben|[N-[3-(1-ethyl-1-methylpropyl)-5-isoxazolyl]-2,6-dimethoxybenzamide]|2,6-Dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)benzamide|Benzamizole|Caswell No. 419F|Compound 121607|EL 107|EPA Pesticide Chemical Code 125851|Flexidor|Gallery|N-(3-(1-Ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide|N-(3-(1-Ethyl-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide|NA 8318|UNII-101V41EEA4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024159
ERPathway2016 ERPathway2016_1693 Isoxaben 82558-50-7 DTXSID8024159 ER Pathway Model, Antagonist Call Inactive Unitless CCC(C)(CC)C1=NOC(NC(=O)C2=C(OC)C=CC=C2OC)=C1 Isoxaben 82558-50-7|Isoxaben|[N-[3-(1-ethyl-1-methylpropyl)-5-isoxazolyl]-2,6-dimethoxybenzamide]|2,6-Dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)benzamide|Benzamizole|Caswell No. 419F|Compound 121607|EL 107|EPA Pesticide Chemical Code 125851|Flexidor|Gallery|N-(3-(1-Ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide|N-(3-(1-Ethyl-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide|NA 8318|UNII-101V41EEA4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024159
ARPathway2016 ARPathway2016_834 Isoxaflutole 141112-29-0 DTXSID5034723 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1=C(ON=C1)C1CC1 Isoxaflutole 141112-29-0|Isoxaflutole|(5-Cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone|EINECS Annex I Index 606-054-00-7|EXP 31130A|IFT cpd|Methanone, (5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]-|RPA 201772|RPA201772|UNII-0T9R0O0EYT https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034723
ARPathway2016 ARPathway2016_834 Isoxaflutole 141112-29-0 DTXSID5034723 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1=C(ON=C1)C1CC1 Isoxaflutole 141112-29-0|Isoxaflutole|(5-Cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone|EINECS Annex I Index 606-054-00-7|EXP 31130A|IFT cpd|Methanone, (5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]-|RPA 201772|RPA201772|UNII-0T9R0O0EYT https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034723
ARPathway2016 ARPathway2016_834 Isoxaflutole 141112-29-0 DTXSID5034723 0.0 AR Pathway Model, Agonist Call Inactive Unitless CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1=C(ON=C1)C1CC1 Isoxaflutole 141112-29-0|Isoxaflutole|(5-Cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone|EINECS Annex I Index 606-054-00-7|EXP 31130A|IFT cpd|Methanone, (5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]-|RPA 201772|RPA201772|UNII-0T9R0O0EYT https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034723
ARPathway2016 ARPathway2016_834 Isoxaflutole 141112-29-0 DTXSID5034723 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1=C(ON=C1)C1CC1 Isoxaflutole 141112-29-0|Isoxaflutole|(5-Cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone|EINECS Annex I Index 606-054-00-7|EXP 31130A|IFT cpd|Methanone, (5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]-|RPA 201772|RPA201772|UNII-0T9R0O0EYT https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034723
ERPathway2016 ERPathway2016_1299 Isoxaflutole 141112-29-0 DTXSID5034723 ER Pathway Model, Agonist Model Score 0 Unitless CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1=C(ON=C1)C1CC1 Isoxaflutole 141112-29-0|Isoxaflutole|(5-Cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone|EINECS Annex I Index 606-054-00-7|EXP 31130A|IFT cpd|Methanone, (5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]-|RPA 201772|RPA201772|UNII-0T9R0O0EYT https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034723
ERPathway2016 ERPathway2016_1299 Isoxaflutole 141112-29-0 DTXSID5034723 ER Pathway Model, Antagonist Model Score 0 Unitless CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1=C(ON=C1)C1CC1 Isoxaflutole 141112-29-0|Isoxaflutole|(5-Cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone|EINECS Annex I Index 606-054-00-7|EXP 31130A|IFT cpd|Methanone, (5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]-|RPA 201772|RPA201772|UNII-0T9R0O0EYT https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034723
ERPathway2016 ERPathway2016_1299 Isoxaflutole 141112-29-0 DTXSID5034723 ER Pathway Model, Agonist Call Inactive Unitless CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1=C(ON=C1)C1CC1 Isoxaflutole 141112-29-0|Isoxaflutole|(5-Cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone|EINECS Annex I Index 606-054-00-7|EXP 31130A|IFT cpd|Methanone, (5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]-|RPA 201772|RPA201772|UNII-0T9R0O0EYT https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034723
ERPathway2016 ERPathway2016_1299 Isoxaflutole 141112-29-0 DTXSID5034723 ER Pathway Model, Antagonist Call Inactive Unitless CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1=C(ON=C1)C1CC1 Isoxaflutole 141112-29-0|Isoxaflutole|(5-Cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone|EINECS Annex I Index 606-054-00-7|EXP 31130A|IFT cpd|Methanone, (5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]-|RPA 201772|RPA201772|UNII-0T9R0O0EYT https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034723
ARPathway2016 ARPathway2016_1269 Kaempferol 520-18-3 DTXSID7020768 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Kaempferol 520-18-3|Kaempferol|3,4',5,7-tetrahidroxiflavona|3,4',5,7-Tetrahydroxy-Flavone (7CI,8CI)|3,4',5,7-Tetrahydroxyflavon|3,4',5,7-tetrahydroxyflavone|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|3,5,7,4'-Tetrahydroxyflavone|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2- (4-hydroxyphenyl)-|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-|5-18-05-00251|5,7,4'-Trihydroxyflavonol|BENZOPYRAN(4H-1)-4-ONE, 3,5,7-TRIHYDROXY-2-[4- HYDROXYPHENYL]-|BRN 0304401|campherol|EINECS 208-287-6|Flavone, 3,4',5,7-tetrahydroxy-|Indigo Yellow|Kaemferol|Kaempherol|Kampcetin|Kampferol|Kampherol|Kempferol|Nimbecetin|NSC 407289|NSC 656277|Pelargidenolon|Pelargidenolon 1497|Pelargidenon|Populnetin|Rhamnolutein|Rhamnolutin|Robigenin|Swartziol|Trifolitin|UNII-731P2LE49E https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020768
ARPathway2016 ARPathway2016_1269 Kaempferol 520-18-3 DTXSID7020768 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Kaempferol 520-18-3|Kaempferol|3,4',5,7-tetrahidroxiflavona|3,4',5,7-Tetrahydroxy-Flavone (7CI,8CI)|3,4',5,7-Tetrahydroxyflavon|3,4',5,7-tetrahydroxyflavone|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|3,5,7,4'-Tetrahydroxyflavone|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2- (4-hydroxyphenyl)-|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-|5-18-05-00251|5,7,4'-Trihydroxyflavonol|BENZOPYRAN(4H-1)-4-ONE, 3,5,7-TRIHYDROXY-2-[4- HYDROXYPHENYL]-|BRN 0304401|campherol|EINECS 208-287-6|Flavone, 3,4',5,7-tetrahydroxy-|Indigo Yellow|Kaemferol|Kaempherol|Kampcetin|Kampferol|Kampherol|Kempferol|Nimbecetin|NSC 407289|NSC 656277|Pelargidenolon|Pelargidenolon 1497|Pelargidenon|Populnetin|Rhamnolutein|Rhamnolutin|Robigenin|Swartziol|Trifolitin|UNII-731P2LE49E https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020768
ARPathway2016 ARPathway2016_1269 Kaempferol 520-18-3 DTXSID7020768 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Kaempferol 520-18-3|Kaempferol|3,4',5,7-tetrahidroxiflavona|3,4',5,7-Tetrahydroxy-Flavone (7CI,8CI)|3,4',5,7-Tetrahydroxyflavon|3,4',5,7-tetrahydroxyflavone|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|3,5,7,4'-Tetrahydroxyflavone|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2- (4-hydroxyphenyl)-|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-|5-18-05-00251|5,7,4'-Trihydroxyflavonol|BENZOPYRAN(4H-1)-4-ONE, 3,5,7-TRIHYDROXY-2-[4- HYDROXYPHENYL]-|BRN 0304401|campherol|EINECS 208-287-6|Flavone, 3,4',5,7-tetrahydroxy-|Indigo Yellow|Kaemferol|Kaempherol|Kampcetin|Kampferol|Kampherol|Kempferol|Nimbecetin|NSC 407289|NSC 656277|Pelargidenolon|Pelargidenolon 1497|Pelargidenon|Populnetin|Rhamnolutein|Rhamnolutin|Robigenin|Swartziol|Trifolitin|UNII-731P2LE49E https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020768
ARPathway2016 ARPathway2016_1269 Kaempferol 520-18-3 DTXSID7020768 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Kaempferol 520-18-3|Kaempferol|3,4',5,7-tetrahidroxiflavona|3,4',5,7-Tetrahydroxy-Flavone (7CI,8CI)|3,4',5,7-Tetrahydroxyflavon|3,4',5,7-tetrahydroxyflavone|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|3,5,7,4'-Tetrahydroxyflavone|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2- (4-hydroxyphenyl)-|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-|5-18-05-00251|5,7,4'-Trihydroxyflavonol|BENZOPYRAN(4H-1)-4-ONE, 3,5,7-TRIHYDROXY-2-[4- HYDROXYPHENYL]-|BRN 0304401|campherol|EINECS 208-287-6|Flavone, 3,4',5,7-tetrahydroxy-|Indigo Yellow|Kaemferol|Kaempherol|Kampcetin|Kampferol|Kampherol|Kempferol|Nimbecetin|NSC 407289|NSC 656277|Pelargidenolon|Pelargidenolon 1497|Pelargidenon|Populnetin|Rhamnolutein|Rhamnolutin|Robigenin|Swartziol|Trifolitin|UNII-731P2LE49E https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020768
ERPathway2016 ERPathway2016_189 Kaempferol 520-18-3 DTXSID7020768 Agonist ER Pathway Model, Antagonist AC50 4.03455966977048 uM OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Kaempferol 520-18-3|Kaempferol|3,4',5,7-tetrahidroxiflavona|3,4',5,7-Tetrahydroxy-Flavone (7CI,8CI)|3,4',5,7-Tetrahydroxyflavon|3,4',5,7-tetrahydroxyflavone|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|3,5,7,4'-Tetrahydroxyflavone|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2- (4-hydroxyphenyl)-|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-|5-18-05-00251|5,7,4'-Trihydroxyflavonol|BENZOPYRAN(4H-1)-4-ONE, 3,5,7-TRIHYDROXY-2-[4- HYDROXYPHENYL]-|BRN 0304401|campherol|EINECS 208-287-6|Flavone, 3,4',5,7-tetrahydroxy-|Indigo Yellow|Kaemferol|Kaempherol|Kampcetin|Kampferol|Kampherol|Kempferol|Nimbecetin|NSC 407289|NSC 656277|Pelargidenolon|Pelargidenolon 1497|Pelargidenon|Populnetin|Rhamnolutein|Rhamnolutin|Robigenin|Swartziol|Trifolitin|UNII-731P2LE49E https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020768
ERPathway2016 ERPathway2016_189 Kaempferol 520-18-3 DTXSID7020768 Agonist ER Pathway Model, Antagonist ACC 2.58939477160506 uM OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Kaempferol 520-18-3|Kaempferol|3,4',5,7-tetrahidroxiflavona|3,4',5,7-Tetrahydroxy-Flavone (7CI,8CI)|3,4',5,7-Tetrahydroxyflavon|3,4',5,7-tetrahydroxyflavone|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|3,5,7,4'-Tetrahydroxyflavone|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2- (4-hydroxyphenyl)-|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-|5-18-05-00251|5,7,4'-Trihydroxyflavonol|BENZOPYRAN(4H-1)-4-ONE, 3,5,7-TRIHYDROXY-2-[4- HYDROXYPHENYL]-|BRN 0304401|campherol|EINECS 208-287-6|Flavone, 3,4',5,7-tetrahydroxy-|Indigo Yellow|Kaemferol|Kaempherol|Kampcetin|Kampferol|Kampherol|Kempferol|Nimbecetin|NSC 407289|NSC 656277|Pelargidenolon|Pelargidenolon 1497|Pelargidenon|Populnetin|Rhamnolutein|Rhamnolutin|Robigenin|Swartziol|Trifolitin|UNII-731P2LE49E https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020768
ERPathway2016 ERPathway2016_189 Kaempferol 520-18-3 DTXSID7020768 Agonist ER Pathway Model, Agonist Model Score 0.252 Unitless OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Kaempferol 520-18-3|Kaempferol|3,4',5,7-tetrahidroxiflavona|3,4',5,7-Tetrahydroxy-Flavone (7CI,8CI)|3,4',5,7-Tetrahydroxyflavon|3,4',5,7-tetrahydroxyflavone|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|3,5,7,4'-Tetrahydroxyflavone|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2- (4-hydroxyphenyl)-|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-|5-18-05-00251|5,7,4'-Trihydroxyflavonol|BENZOPYRAN(4H-1)-4-ONE, 3,5,7-TRIHYDROXY-2-[4- HYDROXYPHENYL]-|BRN 0304401|campherol|EINECS 208-287-6|Flavone, 3,4',5,7-tetrahydroxy-|Indigo Yellow|Kaemferol|Kaempherol|Kampcetin|Kampferol|Kampherol|Kempferol|Nimbecetin|NSC 407289|NSC 656277|Pelargidenolon|Pelargidenolon 1497|Pelargidenon|Populnetin|Rhamnolutein|Rhamnolutin|Robigenin|Swartziol|Trifolitin|UNII-731P2LE49E https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020768
ERPathway2016 ERPathway2016_189 Kaempferol 520-18-3 DTXSID7020768 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Kaempferol 520-18-3|Kaempferol|3,4',5,7-tetrahidroxiflavona|3,4',5,7-Tetrahydroxy-Flavone (7CI,8CI)|3,4',5,7-Tetrahydroxyflavon|3,4',5,7-tetrahydroxyflavone|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|3,5,7,4'-Tetrahydroxyflavone|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2- (4-hydroxyphenyl)-|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-|5-18-05-00251|5,7,4'-Trihydroxyflavonol|BENZOPYRAN(4H-1)-4-ONE, 3,5,7-TRIHYDROXY-2-[4- HYDROXYPHENYL]-|BRN 0304401|campherol|EINECS 208-287-6|Flavone, 3,4',5,7-tetrahydroxy-|Indigo Yellow|Kaemferol|Kaempherol|Kampcetin|Kampferol|Kampherol|Kempferol|Nimbecetin|NSC 407289|NSC 656277|Pelargidenolon|Pelargidenolon 1497|Pelargidenon|Populnetin|Rhamnolutein|Rhamnolutin|Robigenin|Swartziol|Trifolitin|UNII-731P2LE49E https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020768
ERPathway2016 ERPathway2016_189 Kaempferol 520-18-3 DTXSID7020768 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Kaempferol 520-18-3|Kaempferol|3,4',5,7-tetrahidroxiflavona|3,4',5,7-Tetrahydroxy-Flavone (7CI,8CI)|3,4',5,7-Tetrahydroxyflavon|3,4',5,7-tetrahydroxyflavone|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|3,5,7,4'-Tetrahydroxyflavone|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2- (4-hydroxyphenyl)-|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-|5-18-05-00251|5,7,4'-Trihydroxyflavonol|BENZOPYRAN(4H-1)-4-ONE, 3,5,7-TRIHYDROXY-2-[4- HYDROXYPHENYL]-|BRN 0304401|campherol|EINECS 208-287-6|Flavone, 3,4',5,7-tetrahydroxy-|Indigo Yellow|Kaemferol|Kaempherol|Kampcetin|Kampferol|Kampherol|Kempferol|Nimbecetin|NSC 407289|NSC 656277|Pelargidenolon|Pelargidenolon 1497|Pelargidenon|Populnetin|Rhamnolutein|Rhamnolutin|Robigenin|Swartziol|Trifolitin|UNII-731P2LE49E https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020768
ERPathway2016 ERPathway2016_189 Kaempferol 520-18-3 DTXSID7020768 Agonist ER Pathway Model, Antagonist Call Active Unitless OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Kaempferol 520-18-3|Kaempferol|3,4',5,7-tetrahidroxiflavona|3,4',5,7-Tetrahydroxy-Flavone (7CI,8CI)|3,4',5,7-Tetrahydroxyflavon|3,4',5,7-tetrahydroxyflavone|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|3,5,7,4'-Tetrahydroxyflavone|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2- (4-hydroxyphenyl)-|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-|5-18-05-00251|5,7,4'-Trihydroxyflavonol|BENZOPYRAN(4H-1)-4-ONE, 3,5,7-TRIHYDROXY-2-[4- HYDROXYPHENYL]-|BRN 0304401|campherol|EINECS 208-287-6|Flavone, 3,4',5,7-tetrahydroxy-|Indigo Yellow|Kaemferol|Kaempherol|Kampcetin|Kampferol|Kampherol|Kempferol|Nimbecetin|NSC 407289|NSC 656277|Pelargidenolon|Pelargidenolon 1497|Pelargidenon|Populnetin|Rhamnolutein|Rhamnolutin|Robigenin|Swartziol|Trifolitin|UNII-731P2LE49E https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020768
ARPathway2016 ARPathway2016_74 Kepone 143-50-0 DTXSID1020770 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 26.13691787 uM ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl Kepone 143-50-0|Kepone|1,1a,3,3a,4,5,5,5a,5b,6-Decachloro-octahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalen-2-one|1,1a,3,3a,4,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta [cd]pentalen-2-one|1,2,3,4,5,5,6,7,8,9,10,10-Dodecachlorooctahydro-1,3,4-metheno-2-cyclobuta(c,d)pentalone|1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one|1,2,3,5,6,7,8,9,10,10-Decachloro(5.2.1.0(sup 2,6).0(sup 3,9).0(sup 5,8))decano-4-one|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, decachlorooctahydro-|1,3,4-Metheno-2H-cyclobutal [cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachloro-octahydro-|2,3,3a,4,5,6,7,7a,8,8a-Decachloro-3a,4,7,7a-tetrahydro-4,7-methanoinden- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020770 https://doi.org/10.22427/NTP-DATA-DTXSID1020770
ARPathway2016 ARPathway2016_74 Kepone 143-50-0 DTXSID1020770 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 25.19695905 uM ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl Kepone 143-50-0|Kepone|1,1a,3,3a,4,5,5,5a,5b,6-Decachloro-octahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalen-2-one|1,1a,3,3a,4,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta [cd]pentalen-2-one|1,2,3,4,5,5,6,7,8,9,10,10-Dodecachlorooctahydro-1,3,4-metheno-2-cyclobuta(c,d)pentalone|1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one|1,2,3,5,6,7,8,9,10,10-Decachloro(5.2.1.0(sup 2,6).0(sup 3,9).0(sup 5,8))decano-4-one|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, decachlorooctahydro-|1,3,4-Metheno-2H-cyclobutal [cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachloro-octahydro-|2,3,3a,4,5,6,7,7a,8,8a-Decachloro-3a,4,7,7a-tetrahydro-4,7-methanoinden- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020770 https://doi.org/10.22427/NTP-DATA-DTXSID1020770
ARPathway2016 ARPathway2016_74 Kepone 143-50-0 DTXSID1020770 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.269 Unitless ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl Kepone 143-50-0|Kepone|1,1a,3,3a,4,5,5,5a,5b,6-Decachloro-octahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalen-2-one|1,1a,3,3a,4,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta [cd]pentalen-2-one|1,2,3,4,5,5,6,7,8,9,10,10-Dodecachlorooctahydro-1,3,4-metheno-2-cyclobuta(c,d)pentalone|1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one|1,2,3,5,6,7,8,9,10,10-Decachloro(5.2.1.0(sup 2,6).0(sup 3,9).0(sup 5,8))decano-4-one|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, decachlorooctahydro-|1,3,4-Metheno-2H-cyclobutal [cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachloro-octahydro-|2,3,3a,4,5,6,7,7a,8,8a-Decachloro-3a,4,7,7a-tetrahydro-4,7-methanoinden- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020770 https://doi.org/10.22427/NTP-DATA-DTXSID1020770
ARPathway2016 ARPathway2016_74 Kepone 143-50-0 DTXSID1020770 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0.0013 Unitless ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl Kepone 143-50-0|Kepone|1,1a,3,3a,4,5,5,5a,5b,6-Decachloro-octahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalen-2-one|1,1a,3,3a,4,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta [cd]pentalen-2-one|1,2,3,4,5,5,6,7,8,9,10,10-Dodecachlorooctahydro-1,3,4-metheno-2-cyclobuta(c,d)pentalone|1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one|1,2,3,5,6,7,8,9,10,10-Decachloro(5.2.1.0(sup 2,6).0(sup 3,9).0(sup 5,8))decano-4-one|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, decachlorooctahydro-|1,3,4-Metheno-2H-cyclobutal [cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachloro-octahydro-|2,3,3a,4,5,6,7,7a,8,8a-Decachloro-3a,4,7,7a-tetrahydro-4,7-methanoinden- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020770 https://doi.org/10.22427/NTP-DATA-DTXSID1020770
ARPathway2016 ARPathway2016_74 Kepone 143-50-0 DTXSID1020770 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl Kepone 143-50-0|Kepone|1,1a,3,3a,4,5,5,5a,5b,6-Decachloro-octahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalen-2-one|1,1a,3,3a,4,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta [cd]pentalen-2-one|1,2,3,4,5,5,6,7,8,9,10,10-Dodecachlorooctahydro-1,3,4-metheno-2-cyclobuta(c,d)pentalone|1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one|1,2,3,5,6,7,8,9,10,10-Decachloro(5.2.1.0(sup 2,6).0(sup 3,9).0(sup 5,8))decano-4-one|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, decachlorooctahydro-|1,3,4-Metheno-2H-cyclobutal [cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachloro-octahydro-|2,3,3a,4,5,6,7,7a,8,8a-Decachloro-3a,4,7,7a-tetrahydro-4,7-methanoinden- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020770 https://doi.org/10.22427/NTP-DATA-DTXSID1020770
ARPathway2016 ARPathway2016_74 Kepone 143-50-0 DTXSID1020770 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl Kepone 143-50-0|Kepone|1,1a,3,3a,4,5,5,5a,5b,6-Decachloro-octahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalen-2-one|1,1a,3,3a,4,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta [cd]pentalen-2-one|1,2,3,4,5,5,6,7,8,9,10,10-Dodecachlorooctahydro-1,3,4-metheno-2-cyclobuta(c,d)pentalone|1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one|1,2,3,5,6,7,8,9,10,10-Decachloro(5.2.1.0(sup 2,6).0(sup 3,9).0(sup 5,8))decano-4-one|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, decachlorooctahydro-|1,3,4-Metheno-2H-cyclobutal [cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachloro-octahydro-|2,3,3a,4,5,6,7,7a,8,8a-Decachloro-3a,4,7,7a-tetrahydro-4,7-methanoinden- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020770 https://doi.org/10.22427/NTP-DATA-DTXSID1020770
ERPathway2016 ERPathway2016_206 Kepone 143-50-0 DTXSID1020770 Agonist ER Pathway Model, Antagonist AC50 3.91316209661504 uM ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl Kepone 143-50-0|Kepone|1,1a,3,3a,4,5,5,5a,5b,6-Decachloro-octahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalen-2-one|1,1a,3,3a,4,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta [cd]pentalen-2-one|1,2,3,4,5,5,6,7,8,9,10,10-Dodecachlorooctahydro-1,3,4-metheno-2-cyclobuta(c,d)pentalone|1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one|1,2,3,5,6,7,8,9,10,10-Decachloro(5.2.1.0(sup 2,6).0(sup 3,9).0(sup 5,8))decano-4-one|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, decachlorooctahydro-|1,3,4-Metheno-2H-cyclobutal [cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachloro-octahydro-|2,3,3a,4,5,6,7,7a,8,8a-Decachloro-3a,4,7,7a-tetrahydro-4,7-methanoinden- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020770 https://doi.org/10.22427/NTP-DATA-DTXSID1020770
ERPathway2016 ERPathway2016_206 Kepone 143-50-0 DTXSID1020770 Agonist ER Pathway Model, Antagonist ACC 2.12423958599431 uM ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl Kepone 143-50-0|Kepone|1,1a,3,3a,4,5,5,5a,5b,6-Decachloro-octahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalen-2-one|1,1a,3,3a,4,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta [cd]pentalen-2-one|1,2,3,4,5,5,6,7,8,9,10,10-Dodecachlorooctahydro-1,3,4-metheno-2-cyclobuta(c,d)pentalone|1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one|1,2,3,5,6,7,8,9,10,10-Decachloro(5.2.1.0(sup 2,6).0(sup 3,9).0(sup 5,8))decano-4-one|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, decachlorooctahydro-|1,3,4-Metheno-2H-cyclobutal [cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachloro-octahydro-|2,3,3a,4,5,6,7,7a,8,8a-Decachloro-3a,4,7,7a-tetrahydro-4,7-methanoinden- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020770 https://doi.org/10.22427/NTP-DATA-DTXSID1020770
ERPathway2016 ERPathway2016_206 Kepone 143-50-0 DTXSID1020770 Agonist ER Pathway Model, Agonist Model Score 0.174 Unitless ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl Kepone 143-50-0|Kepone|1,1a,3,3a,4,5,5,5a,5b,6-Decachloro-octahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalen-2-one|1,1a,3,3a,4,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta [cd]pentalen-2-one|1,2,3,4,5,5,6,7,8,9,10,10-Dodecachlorooctahydro-1,3,4-metheno-2-cyclobuta(c,d)pentalone|1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one|1,2,3,5,6,7,8,9,10,10-Decachloro(5.2.1.0(sup 2,6).0(sup 3,9).0(sup 5,8))decano-4-one|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, decachlorooctahydro-|1,3,4-Metheno-2H-cyclobutal [cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachloro-octahydro-|2,3,3a,4,5,6,7,7a,8,8a-Decachloro-3a,4,7,7a-tetrahydro-4,7-methanoinden- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020770 https://doi.org/10.22427/NTP-DATA-DTXSID1020770
ERPathway2016 ERPathway2016_206 Kepone 143-50-0 DTXSID1020770 Agonist ER Pathway Model, Antagonist Model Score 0.0149 Unitless ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl Kepone 143-50-0|Kepone|1,1a,3,3a,4,5,5,5a,5b,6-Decachloro-octahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalen-2-one|1,1a,3,3a,4,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta [cd]pentalen-2-one|1,2,3,4,5,5,6,7,8,9,10,10-Dodecachlorooctahydro-1,3,4-metheno-2-cyclobuta(c,d)pentalone|1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one|1,2,3,5,6,7,8,9,10,10-Decachloro(5.2.1.0(sup 2,6).0(sup 3,9).0(sup 5,8))decano-4-one|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, decachlorooctahydro-|1,3,4-Metheno-2H-cyclobutal [cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachloro-octahydro-|2,3,3a,4,5,6,7,7a,8,8a-Decachloro-3a,4,7,7a-tetrahydro-4,7-methanoinden- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020770 https://doi.org/10.22427/NTP-DATA-DTXSID1020770
ERPathway2016 ERPathway2016_206 Kepone 143-50-0 DTXSID1020770 Agonist ER Pathway Model, Agonist Call Inactive Unitless ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl Kepone 143-50-0|Kepone|1,1a,3,3a,4,5,5,5a,5b,6-Decachloro-octahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalen-2-one|1,1a,3,3a,4,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta [cd]pentalen-2-one|1,2,3,4,5,5,6,7,8,9,10,10-Dodecachlorooctahydro-1,3,4-metheno-2-cyclobuta(c,d)pentalone|1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one|1,2,3,5,6,7,8,9,10,10-Decachloro(5.2.1.0(sup 2,6).0(sup 3,9).0(sup 5,8))decano-4-one|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, decachlorooctahydro-|1,3,4-Metheno-2H-cyclobutal [cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachloro-octahydro-|2,3,3a,4,5,6,7,7a,8,8a-Decachloro-3a,4,7,7a-tetrahydro-4,7-methanoinden- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020770 https://doi.org/10.22427/NTP-DATA-DTXSID1020770
ERPathway2016 ERPathway2016_206 Kepone 143-50-0 DTXSID1020770 Agonist ER Pathway Model, Antagonist Call Active Unitless ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl Kepone 143-50-0|Kepone|1,1a,3,3a,4,5,5,5a,5b,6-Decachloro-octahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one|1,1a,3,3a,4,5,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalen-2-one|1,1a,3,3a,4,5,5a,5b,6-Decachlorooctahydro-1,3,4-metheno-2H-cyclobuta [cd]pentalen-2-one|1,2,3,4,5,5,6,7,8,9,10,10-Dodecachlorooctahydro-1,3,4-metheno-2-cyclobuta(c,d)pentalone|1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one|1,2,3,5,6,7,8,9,10,10-Decachloro(5.2.1.0(sup 2,6).0(sup 3,9).0(sup 5,8))decano-4-one|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5a,5b,6-decachlorooctahydro-|1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, decachlorooctahydro-|1,3,4-Metheno-2H-cyclobutal [cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachloro-octahydro-|2,3,3a,4,5,6,7,7a,8,8a-Decachloro-3a,4,7,7a-tetrahydro-4,7-methanoinden- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020770 https://doi.org/10.22427/NTP-DATA-DTXSID1020770
ARPathway2016 ARPathway2016_244 Ketoconazole 65277-42-1 DTXSID7029879 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 23.7340639334492 uM CC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 Ketoconazole 65277-42-1|Ketoconazole|(+/-)-Ketoconazole|Brizoral|BRN 4303081|cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazole-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine|EINECS 265-667-4|Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-, rel-|Fungarest|Fungoral|Ketoconazol|Ketoconazolum|Ketoderm|Ketoisdin|Ketozole|Ketozoral|Nizoral|Nizoral A-D|Onofin K|Orifungal M|Panfungol|Piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-|Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|Piperazine,1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|UNII-R9400W927I|Xolegel|72093-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029879
ARPathway2016 ARPathway2016_244 Ketoconazole 65277-42-1 DTXSID7029879 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 13.4160170577622 uM CC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 Ketoconazole 65277-42-1|Ketoconazole|(+/-)-Ketoconazole|Brizoral|BRN 4303081|cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazole-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine|EINECS 265-667-4|Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-, rel-|Fungarest|Fungoral|Ketoconazol|Ketoconazolum|Ketoderm|Ketoisdin|Ketozole|Ketozoral|Nizoral|Nizoral A-D|Onofin K|Orifungal M|Panfungol|Piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-|Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|Piperazine,1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|UNII-R9400W927I|Xolegel|72093-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029879
ARPathway2016 ARPathway2016_244 Ketoconazole 65277-42-1 DTXSID7029879 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.204 Unitless CC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 Ketoconazole 65277-42-1|Ketoconazole|(+/-)-Ketoconazole|Brizoral|BRN 4303081|cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazole-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine|EINECS 265-667-4|Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-, rel-|Fungarest|Fungoral|Ketoconazol|Ketoconazolum|Ketoderm|Ketoisdin|Ketozole|Ketozoral|Nizoral|Nizoral A-D|Onofin K|Orifungal M|Panfungol|Piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-|Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|Piperazine,1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|UNII-R9400W927I|Xolegel|72093-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029879
ARPathway2016 ARPathway2016_244 Ketoconazole 65277-42-1 DTXSID7029879 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 Ketoconazole 65277-42-1|Ketoconazole|(+/-)-Ketoconazole|Brizoral|BRN 4303081|cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazole-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine|EINECS 265-667-4|Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-, rel-|Fungarest|Fungoral|Ketoconazol|Ketoconazolum|Ketoderm|Ketoisdin|Ketozole|Ketozoral|Nizoral|Nizoral A-D|Onofin K|Orifungal M|Panfungol|Piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-|Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|Piperazine,1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|UNII-R9400W927I|Xolegel|72093-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029879
ARPathway2016 ARPathway2016_244 Ketoconazole 65277-42-1 DTXSID7029879 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 Ketoconazole 65277-42-1|Ketoconazole|(+/-)-Ketoconazole|Brizoral|BRN 4303081|cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazole-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine|EINECS 265-667-4|Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-, rel-|Fungarest|Fungoral|Ketoconazol|Ketoconazolum|Ketoderm|Ketoisdin|Ketozole|Ketozoral|Nizoral|Nizoral A-D|Onofin K|Orifungal M|Panfungol|Piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-|Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|Piperazine,1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|UNII-R9400W927I|Xolegel|72093-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029879
ARPathway2016 ARPathway2016_244 Ketoconazole 65277-42-1 DTXSID7029879 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 Ketoconazole 65277-42-1|Ketoconazole|(+/-)-Ketoconazole|Brizoral|BRN 4303081|cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazole-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine|EINECS 265-667-4|Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-, rel-|Fungarest|Fungoral|Ketoconazol|Ketoconazolum|Ketoderm|Ketoisdin|Ketozole|Ketozoral|Nizoral|Nizoral A-D|Onofin K|Orifungal M|Panfungol|Piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-|Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|Piperazine,1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|UNII-R9400W927I|Xolegel|72093-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029879
ERPathway2016 ERPathway2016_90 Ketoconazole 65277-42-1 DTXSID7029879 ER Pathway Model, Agonist AC50 44.9268471084512 uM CC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 Ketoconazole 65277-42-1|Ketoconazole|(+/-)-Ketoconazole|Brizoral|BRN 4303081|cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazole-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine|EINECS 265-667-4|Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-, rel-|Fungarest|Fungoral|Ketoconazol|Ketoconazolum|Ketoderm|Ketoisdin|Ketozole|Ketozoral|Nizoral|Nizoral A-D|Onofin K|Orifungal M|Panfungol|Piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-|Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|Piperazine,1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|UNII-R9400W927I|Xolegel|72093-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029879
ERPathway2016 ERPathway2016_90 Ketoconazole 65277-42-1 DTXSID7029879 ER Pathway Model, Agonist ACC 29.4141002575621 uM CC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 Ketoconazole 65277-42-1|Ketoconazole|(+/-)-Ketoconazole|Brizoral|BRN 4303081|cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazole-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine|EINECS 265-667-4|Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-, rel-|Fungarest|Fungoral|Ketoconazol|Ketoconazolum|Ketoderm|Ketoisdin|Ketozole|Ketozoral|Nizoral|Nizoral A-D|Onofin K|Orifungal M|Panfungol|Piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-|Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|Piperazine,1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|UNII-R9400W927I|Xolegel|72093-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029879
ERPathway2016 ERPathway2016_90 Ketoconazole 65277-42-1 DTXSID7029879 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 Ketoconazole 65277-42-1|Ketoconazole|(+/-)-Ketoconazole|Brizoral|BRN 4303081|cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazole-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine|EINECS 265-667-4|Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-, rel-|Fungarest|Fungoral|Ketoconazol|Ketoconazolum|Ketoderm|Ketoisdin|Ketozole|Ketozoral|Nizoral|Nizoral A-D|Onofin K|Orifungal M|Panfungol|Piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-|Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|Piperazine,1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|UNII-R9400W927I|Xolegel|72093-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029879
ERPathway2016 ERPathway2016_90 Ketoconazole 65277-42-1 DTXSID7029879 ER Pathway Model, Antagonist Model Score 0.015 Unitless CC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 Ketoconazole 65277-42-1|Ketoconazole|(+/-)-Ketoconazole|Brizoral|BRN 4303081|cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazole-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine|EINECS 265-667-4|Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-, rel-|Fungarest|Fungoral|Ketoconazol|Ketoconazolum|Ketoderm|Ketoisdin|Ketozole|Ketozoral|Nizoral|Nizoral A-D|Onofin K|Orifungal M|Panfungol|Piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-|Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|Piperazine,1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|UNII-R9400W927I|Xolegel|72093-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029879
ERPathway2016 ERPathway2016_90 Ketoconazole 65277-42-1 DTXSID7029879 ER Pathway Model, Agonist Call Active Unitless CC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 Ketoconazole 65277-42-1|Ketoconazole|(+/-)-Ketoconazole|Brizoral|BRN 4303081|cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazole-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine|EINECS 265-667-4|Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-, rel-|Fungarest|Fungoral|Ketoconazol|Ketoconazolum|Ketoderm|Ketoisdin|Ketozole|Ketozoral|Nizoral|Nizoral A-D|Onofin K|Orifungal M|Panfungol|Piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-|Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|Piperazine,1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|UNII-R9400W927I|Xolegel|72093-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029879
ERPathway2016 ERPathway2016_90 Ketoconazole 65277-42-1 DTXSID7029879 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 Ketoconazole 65277-42-1|Ketoconazole|(+/-)-Ketoconazole|Brizoral|BRN 4303081|cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazole-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine|EINECS 265-667-4|Ethanone, 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-, rel-|Fungarest|Fungoral|Ketoconazol|Ketoconazolum|Ketoderm|Ketoisdin|Ketozole|Ketozoral|Nizoral|Nizoral A-D|Onofin K|Orifungal M|Panfungol|Piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-|Piperazine, 1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|Piperazine,1-acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, rel-|UNII-R9400W927I|Xolegel|72093-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029879
ARPathway2016 ARPathway2016_1276 Kinetin 525-79-1 DTXSID9035175 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C(NC1=C2N=CN=C2N=CN1)C1=CC=CO1 Kinetin 525-79-1|Kinetin|1H-Purin-6-amine, N-(2-furanylmethyl)-|2-Furanmethanamine, N-1H-purin-6-yl-|208-382-2|6-(Furfurylamino)purine|6-Furfuryladenine|9H-Purin-6-amine, N-(2-furanylmethyl)-|Adenine, N-furfuryl-|Adenine, N6-furfuryl-|Caswell No. 272D|Cytokinin|Cytokinin, as Kinetin|EC No.: 208-382-2|EINECS 208-382-2|furfuril(purin-6-il)amina|Furfuryl(purin-6-yl)amin|Furfuryl(purin-6-yl)amine|furfuryl(purine-6-yl)amine|N-(2-Furanylmethyl)-1H-purin-6-amine|N-Furfuryladenine|N(sup 6)-(Furfurylamino)purine|N(sup 6)-Furfuryladenine|N6-(Furfurylamino)purine|N6-Furfuryladenine|NSC 23119|P.C. Code 116801|PC Code 116801|UNII-P39Y9652YJ|33446-70-7|525-80-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035175
ARPathway2016 ARPathway2016_1276 Kinetin 525-79-1 DTXSID9035175 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C(NC1=C2N=CN=C2N=CN1)C1=CC=CO1 Kinetin 525-79-1|Kinetin|1H-Purin-6-amine, N-(2-furanylmethyl)-|2-Furanmethanamine, N-1H-purin-6-yl-|208-382-2|6-(Furfurylamino)purine|6-Furfuryladenine|9H-Purin-6-amine, N-(2-furanylmethyl)-|Adenine, N-furfuryl-|Adenine, N6-furfuryl-|Caswell No. 272D|Cytokinin|Cytokinin, as Kinetin|EC No.: 208-382-2|EINECS 208-382-2|furfuril(purin-6-il)amina|Furfuryl(purin-6-yl)amin|Furfuryl(purin-6-yl)amine|furfuryl(purine-6-yl)amine|N-(2-Furanylmethyl)-1H-purin-6-amine|N-Furfuryladenine|N(sup 6)-(Furfurylamino)purine|N(sup 6)-Furfuryladenine|N6-(Furfurylamino)purine|N6-Furfuryladenine|NSC 23119|P.C. Code 116801|PC Code 116801|UNII-P39Y9652YJ|33446-70-7|525-80-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035175
ARPathway2016 ARPathway2016_1276 Kinetin 525-79-1 DTXSID9035175 0.0 AR Pathway Model, Agonist Call Inactive Unitless C(NC1=C2N=CN=C2N=CN1)C1=CC=CO1 Kinetin 525-79-1|Kinetin|1H-Purin-6-amine, N-(2-furanylmethyl)-|2-Furanmethanamine, N-1H-purin-6-yl-|208-382-2|6-(Furfurylamino)purine|6-Furfuryladenine|9H-Purin-6-amine, N-(2-furanylmethyl)-|Adenine, N-furfuryl-|Adenine, N6-furfuryl-|Caswell No. 272D|Cytokinin|Cytokinin, as Kinetin|EC No.: 208-382-2|EINECS 208-382-2|furfuril(purin-6-il)amina|Furfuryl(purin-6-yl)amin|Furfuryl(purin-6-yl)amine|furfuryl(purine-6-yl)amine|N-(2-Furanylmethyl)-1H-purin-6-amine|N-Furfuryladenine|N(sup 6)-(Furfurylamino)purine|N(sup 6)-Furfuryladenine|N6-(Furfurylamino)purine|N6-Furfuryladenine|NSC 23119|P.C. Code 116801|PC Code 116801|UNII-P39Y9652YJ|33446-70-7|525-80-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035175
ARPathway2016 ARPathway2016_1276 Kinetin 525-79-1 DTXSID9035175 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C(NC1=C2N=CN=C2N=CN1)C1=CC=CO1 Kinetin 525-79-1|Kinetin|1H-Purin-6-amine, N-(2-furanylmethyl)-|2-Furanmethanamine, N-1H-purin-6-yl-|208-382-2|6-(Furfurylamino)purine|6-Furfuryladenine|9H-Purin-6-amine, N-(2-furanylmethyl)-|Adenine, N-furfuryl-|Adenine, N6-furfuryl-|Caswell No. 272D|Cytokinin|Cytokinin, as Kinetin|EC No.: 208-382-2|EINECS 208-382-2|furfuril(purin-6-il)amina|Furfuryl(purin-6-yl)amin|Furfuryl(purin-6-yl)amine|furfuryl(purine-6-yl)amine|N-(2-Furanylmethyl)-1H-purin-6-amine|N-Furfuryladenine|N(sup 6)-(Furfurylamino)purine|N(sup 6)-Furfuryladenine|N6-(Furfurylamino)purine|N6-Furfuryladenine|NSC 23119|P.C. Code 116801|PC Code 116801|UNII-P39Y9652YJ|33446-70-7|525-80-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035175
ERPathway2016 ERPathway2016_1511 Kinetin 525-79-1 DTXSID9035175 ER Pathway Model, Agonist Model Score 0 Unitless C(NC1=C2N=CN=C2N=CN1)C1=CC=CO1 Kinetin 525-79-1|Kinetin|1H-Purin-6-amine, N-(2-furanylmethyl)-|2-Furanmethanamine, N-1H-purin-6-yl-|208-382-2|6-(Furfurylamino)purine|6-Furfuryladenine|9H-Purin-6-amine, N-(2-furanylmethyl)-|Adenine, N-furfuryl-|Adenine, N6-furfuryl-|Caswell No. 272D|Cytokinin|Cytokinin, as Kinetin|EC No.: 208-382-2|EINECS 208-382-2|furfuril(purin-6-il)amina|Furfuryl(purin-6-yl)amin|Furfuryl(purin-6-yl)amine|furfuryl(purine-6-yl)amine|N-(2-Furanylmethyl)-1H-purin-6-amine|N-Furfuryladenine|N(sup 6)-(Furfurylamino)purine|N(sup 6)-Furfuryladenine|N6-(Furfurylamino)purine|N6-Furfuryladenine|NSC 23119|P.C. Code 116801|PC Code 116801|UNII-P39Y9652YJ|33446-70-7|525-80-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035175
ERPathway2016 ERPathway2016_1511 Kinetin 525-79-1 DTXSID9035175 ER Pathway Model, Antagonist Model Score 0 Unitless C(NC1=C2N=CN=C2N=CN1)C1=CC=CO1 Kinetin 525-79-1|Kinetin|1H-Purin-6-amine, N-(2-furanylmethyl)-|2-Furanmethanamine, N-1H-purin-6-yl-|208-382-2|6-(Furfurylamino)purine|6-Furfuryladenine|9H-Purin-6-amine, N-(2-furanylmethyl)-|Adenine, N-furfuryl-|Adenine, N6-furfuryl-|Caswell No. 272D|Cytokinin|Cytokinin, as Kinetin|EC No.: 208-382-2|EINECS 208-382-2|furfuril(purin-6-il)amina|Furfuryl(purin-6-yl)amin|Furfuryl(purin-6-yl)amine|furfuryl(purine-6-yl)amine|N-(2-Furanylmethyl)-1H-purin-6-amine|N-Furfuryladenine|N(sup 6)-(Furfurylamino)purine|N(sup 6)-Furfuryladenine|N6-(Furfurylamino)purine|N6-Furfuryladenine|NSC 23119|P.C. Code 116801|PC Code 116801|UNII-P39Y9652YJ|33446-70-7|525-80-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035175
ERPathway2016 ERPathway2016_1511 Kinetin 525-79-1 DTXSID9035175 ER Pathway Model, Agonist Call Inactive Unitless C(NC1=C2N=CN=C2N=CN1)C1=CC=CO1 Kinetin 525-79-1|Kinetin|1H-Purin-6-amine, N-(2-furanylmethyl)-|2-Furanmethanamine, N-1H-purin-6-yl-|208-382-2|6-(Furfurylamino)purine|6-Furfuryladenine|9H-Purin-6-amine, N-(2-furanylmethyl)-|Adenine, N-furfuryl-|Adenine, N6-furfuryl-|Caswell No. 272D|Cytokinin|Cytokinin, as Kinetin|EC No.: 208-382-2|EINECS 208-382-2|furfuril(purin-6-il)amina|Furfuryl(purin-6-yl)amin|Furfuryl(purin-6-yl)amine|furfuryl(purine-6-yl)amine|N-(2-Furanylmethyl)-1H-purin-6-amine|N-Furfuryladenine|N(sup 6)-(Furfurylamino)purine|N(sup 6)-Furfuryladenine|N6-(Furfurylamino)purine|N6-Furfuryladenine|NSC 23119|P.C. Code 116801|PC Code 116801|UNII-P39Y9652YJ|33446-70-7|525-80-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035175
ERPathway2016 ERPathway2016_1511 Kinetin 525-79-1 DTXSID9035175 ER Pathway Model, Antagonist Call Inactive Unitless C(NC1=C2N=CN=C2N=CN1)C1=CC=CO1 Kinetin 525-79-1|Kinetin|1H-Purin-6-amine, N-(2-furanylmethyl)-|2-Furanmethanamine, N-1H-purin-6-yl-|208-382-2|6-(Furfurylamino)purine|6-Furfuryladenine|9H-Purin-6-amine, N-(2-furanylmethyl)-|Adenine, N-furfuryl-|Adenine, N6-furfuryl-|Caswell No. 272D|Cytokinin|Cytokinin, as Kinetin|EC No.: 208-382-2|EINECS 208-382-2|furfuril(purin-6-il)amina|Furfuryl(purin-6-yl)amin|Furfuryl(purin-6-yl)amine|furfuryl(purine-6-yl)amine|N-(2-Furanylmethyl)-1H-purin-6-amine|N-Furfuryladenine|N(sup 6)-(Furfurylamino)purine|N(sup 6)-Furfuryladenine|N6-(Furfurylamino)purine|N6-Furfuryladenine|NSC 23119|P.C. Code 116801|PC Code 116801|UNII-P39Y9652YJ|33446-70-7|525-80-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035175
ARPathway2016 ARPathway2016_852 Kresoxim-methyl 143390-89-0 DTXSID2032558 True antagonist shift (Hit/Hit) 3.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless CON=C(C(=O)OC)C1=C(COC2=C(C)C=CC=C2)C=CC=C1 Kresoxim-methyl 143390-89-0|Kresoxim-methyl|BAS 490-02F|BAS 490F|Benzeneacetic acid, .alpha.-(methoxyimino)-2-{(2-methylphenoxy)methyl}-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (aE)-|Discus (fungicide)|Ergon (fungicide)|methyl (alphaE)-alpha-(methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetate|methyl (E)-methoxyimino[alpha-(o-tolyloxy)-o-tolyl]acetate|Methyl (E)-methoxyimino[a-(o-tolyloxy)-o-tolyl]acetate|UNII-0LXZ062TTB|1003023-38-8|1135441-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032558
ARPathway2016 ARPathway2016_852 Kresoxim-methyl 143390-89-0 DTXSID2032558 True antagonist shift (Hit/Hit) 3.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CON=C(C(=O)OC)C1=C(COC2=C(C)C=CC=C2)C=CC=C1 Kresoxim-methyl 143390-89-0|Kresoxim-methyl|BAS 490-02F|BAS 490F|Benzeneacetic acid, .alpha.-(methoxyimino)-2-{(2-methylphenoxy)methyl}-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (aE)-|Discus (fungicide)|Ergon (fungicide)|methyl (alphaE)-alpha-(methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetate|methyl (E)-methoxyimino[alpha-(o-tolyloxy)-o-tolyl]acetate|Methyl (E)-methoxyimino[a-(o-tolyloxy)-o-tolyl]acetate|UNII-0LXZ062TTB|1003023-38-8|1135441-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032558
ARPathway2016 ARPathway2016_852 Kresoxim-methyl 143390-89-0 DTXSID2032558 True antagonist shift (Hit/Hit) 3.0 R7 AR Pathway Model, Agonist Call Inactive Unitless CON=C(C(=O)OC)C1=C(COC2=C(C)C=CC=C2)C=CC=C1 Kresoxim-methyl 143390-89-0|Kresoxim-methyl|BAS 490-02F|BAS 490F|Benzeneacetic acid, .alpha.-(methoxyimino)-2-{(2-methylphenoxy)methyl}-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (aE)-|Discus (fungicide)|Ergon (fungicide)|methyl (alphaE)-alpha-(methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetate|methyl (E)-methoxyimino[alpha-(o-tolyloxy)-o-tolyl]acetate|Methyl (E)-methoxyimino[a-(o-tolyloxy)-o-tolyl]acetate|UNII-0LXZ062TTB|1003023-38-8|1135441-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032558
ARPathway2016 ARPathway2016_852 Kresoxim-methyl 143390-89-0 DTXSID2032558 True antagonist shift (Hit/Hit) 3.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CON=C(C(=O)OC)C1=C(COC2=C(C)C=CC=C2)C=CC=C1 Kresoxim-methyl 143390-89-0|Kresoxim-methyl|BAS 490-02F|BAS 490F|Benzeneacetic acid, .alpha.-(methoxyimino)-2-{(2-methylphenoxy)methyl}-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (aE)-|Discus (fungicide)|Ergon (fungicide)|methyl (alphaE)-alpha-(methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetate|methyl (E)-methoxyimino[alpha-(o-tolyloxy)-o-tolyl]acetate|Methyl (E)-methoxyimino[a-(o-tolyloxy)-o-tolyl]acetate|UNII-0LXZ062TTB|1003023-38-8|1135441-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032558
ERPathway2016 ERPathway2016_14 Kresoxim-methyl 143390-89-0 DTXSID2032558 ER Pathway Model, Agonist AC50 34.347226005324 uM CON=C(C(=O)OC)C1=C(COC2=C(C)C=CC=C2)C=CC=C1 Kresoxim-methyl 143390-89-0|Kresoxim-methyl|BAS 490-02F|BAS 490F|Benzeneacetic acid, .alpha.-(methoxyimino)-2-{(2-methylphenoxy)methyl}-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (aE)-|Discus (fungicide)|Ergon (fungicide)|methyl (alphaE)-alpha-(methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetate|methyl (E)-methoxyimino[alpha-(o-tolyloxy)-o-tolyl]acetate|Methyl (E)-methoxyimino[a-(o-tolyloxy)-o-tolyl]acetate|UNII-0LXZ062TTB|1003023-38-8|1135441-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032558
ERPathway2016 ERPathway2016_14 Kresoxim-methyl 143390-89-0 DTXSID2032558 ER Pathway Model, Agonist ACC 23.3363778630221 uM CON=C(C(=O)OC)C1=C(COC2=C(C)C=CC=C2)C=CC=C1 Kresoxim-methyl 143390-89-0|Kresoxim-methyl|BAS 490-02F|BAS 490F|Benzeneacetic acid, .alpha.-(methoxyimino)-2-{(2-methylphenoxy)methyl}-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (aE)-|Discus (fungicide)|Ergon (fungicide)|methyl (alphaE)-alpha-(methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetate|methyl (E)-methoxyimino[alpha-(o-tolyloxy)-o-tolyl]acetate|Methyl (E)-methoxyimino[a-(o-tolyloxy)-o-tolyl]acetate|UNII-0LXZ062TTB|1003023-38-8|1135441-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032558
ERPathway2016 ERPathway2016_14 Kresoxim-methyl 143390-89-0 DTXSID2032558 ER Pathway Model, Agonist Model Score 0.0154 Unitless CON=C(C(=O)OC)C1=C(COC2=C(C)C=CC=C2)C=CC=C1 Kresoxim-methyl 143390-89-0|Kresoxim-methyl|BAS 490-02F|BAS 490F|Benzeneacetic acid, .alpha.-(methoxyimino)-2-{(2-methylphenoxy)methyl}-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (aE)-|Discus (fungicide)|Ergon (fungicide)|methyl (alphaE)-alpha-(methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetate|methyl (E)-methoxyimino[alpha-(o-tolyloxy)-o-tolyl]acetate|Methyl (E)-methoxyimino[a-(o-tolyloxy)-o-tolyl]acetate|UNII-0LXZ062TTB|1003023-38-8|1135441-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032558
ERPathway2016 ERPathway2016_14 Kresoxim-methyl 143390-89-0 DTXSID2032558 ER Pathway Model, Antagonist Model Score 0.066 Unitless CON=C(C(=O)OC)C1=C(COC2=C(C)C=CC=C2)C=CC=C1 Kresoxim-methyl 143390-89-0|Kresoxim-methyl|BAS 490-02F|BAS 490F|Benzeneacetic acid, .alpha.-(methoxyimino)-2-{(2-methylphenoxy)methyl}-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (aE)-|Discus (fungicide)|Ergon (fungicide)|methyl (alphaE)-alpha-(methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetate|methyl (E)-methoxyimino[alpha-(o-tolyloxy)-o-tolyl]acetate|Methyl (E)-methoxyimino[a-(o-tolyloxy)-o-tolyl]acetate|UNII-0LXZ062TTB|1003023-38-8|1135441-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032558
ERPathway2016 ERPathway2016_14 Kresoxim-methyl 143390-89-0 DTXSID2032558 ER Pathway Model, Agonist Call Active Unitless CON=C(C(=O)OC)C1=C(COC2=C(C)C=CC=C2)C=CC=C1 Kresoxim-methyl 143390-89-0|Kresoxim-methyl|BAS 490-02F|BAS 490F|Benzeneacetic acid, .alpha.-(methoxyimino)-2-{(2-methylphenoxy)methyl}-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (aE)-|Discus (fungicide)|Ergon (fungicide)|methyl (alphaE)-alpha-(methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetate|methyl (E)-methoxyimino[alpha-(o-tolyloxy)-o-tolyl]acetate|Methyl (E)-methoxyimino[a-(o-tolyloxy)-o-tolyl]acetate|UNII-0LXZ062TTB|1003023-38-8|1135441-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032558
ERPathway2016 ERPathway2016_14 Kresoxim-methyl 143390-89-0 DTXSID2032558 ER Pathway Model, Antagonist Call Inactive Unitless CON=C(C(=O)OC)C1=C(COC2=C(C)C=CC=C2)C=CC=C1 Kresoxim-methyl 143390-89-0|Kresoxim-methyl|BAS 490-02F|BAS 490F|Benzeneacetic acid, .alpha.-(methoxyimino)-2-{(2-methylphenoxy)methyl}-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (E)-|Benzeneacetic acid, a-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (aE)-|Discus (fungicide)|Ergon (fungicide)|methyl (alphaE)-alpha-(methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetate|methyl (E)-methoxyimino[alpha-(o-tolyloxy)-o-tolyl]acetate|Methyl (E)-methoxyimino[a-(o-tolyloxy)-o-tolyl]acetate|UNII-0LXZ062TTB|1003023-38-8|1135441-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032558
ARPathway2016 ARPathway2016_1243 Lactic acid 50-21-5 DTXSID7023192 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(O)C(O)=O Lactic acid 50-21-5|Lactic acid|(+/-)-Lactic acid|(RS)-2-Hydroxypropionsaeure|1-Hydroxyethanecarboxylic acid|2-Hydroxy-2-methylacetic acid|2-Hydroxypropanoic acid|2-Hydroxypropionic acid|Acide lactique|acido lactico|Acidum lacticum|Aethylidenmilchsaeure|alpha-Hydroxypropionic acid|BRN 5238667|Chem-Cast|Cheongin haejanghwan|Cheongin haewoohwan|Cheongin samrakhan|DL-Lactic Acid|DL-Milchsaeure|EINECS 200-018-0|EINECS 209-954-4|EPA Pesticide Chemical Code 128929|Ethylidenelactic acid|FEMA No. 2611|FEMA Number 2611|Kyselina 2-hydroxypropanova|Kyselina mlecna|Lactate|Lactic acid USP|Lacticum acidum|Lactovagan|MILCHSAEURE|Milchsaure|Milk acid|NSC 367919|Ordinary lactic acid|Propanoic acid, 2-hydroxy-|Propanoic acid,2-hydroxy-,(+-)-|Propionic acid, 2-hydroxy-|Purac FCC 80|Purac FCC 88|Racemic lactic acid|Tonsillosan|UNII-3B8D35Y7S4|a-Hydroxypropanoic acid|a-Hydroxypropionic acid|1334714-39-4|152-36-3|598-82-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023192 https://doi.org/10.22427/NTP-DATA-DTXSID7023192
ARPathway2016 ARPathway2016_1243 Lactic acid 50-21-5 DTXSID7023192 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(O)C(O)=O Lactic acid 50-21-5|Lactic acid|(+/-)-Lactic acid|(RS)-2-Hydroxypropionsaeure|1-Hydroxyethanecarboxylic acid|2-Hydroxy-2-methylacetic acid|2-Hydroxypropanoic acid|2-Hydroxypropionic acid|Acide lactique|acido lactico|Acidum lacticum|Aethylidenmilchsaeure|alpha-Hydroxypropionic acid|BRN 5238667|Chem-Cast|Cheongin haejanghwan|Cheongin haewoohwan|Cheongin samrakhan|DL-Lactic Acid|DL-Milchsaeure|EINECS 200-018-0|EINECS 209-954-4|EPA Pesticide Chemical Code 128929|Ethylidenelactic acid|FEMA No. 2611|FEMA Number 2611|Kyselina 2-hydroxypropanova|Kyselina mlecna|Lactate|Lactic acid USP|Lacticum acidum|Lactovagan|MILCHSAEURE|Milchsaure|Milk acid|NSC 367919|Ordinary lactic acid|Propanoic acid, 2-hydroxy-|Propanoic acid,2-hydroxy-,(+-)-|Propionic acid, 2-hydroxy-|Purac FCC 80|Purac FCC 88|Racemic lactic acid|Tonsillosan|UNII-3B8D35Y7S4|a-Hydroxypropanoic acid|a-Hydroxypropionic acid|1334714-39-4|152-36-3|598-82-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023192 https://doi.org/10.22427/NTP-DATA-DTXSID7023192
ARPathway2016 ARPathway2016_1243 Lactic acid 50-21-5 DTXSID7023192 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(O)C(O)=O Lactic acid 50-21-5|Lactic acid|(+/-)-Lactic acid|(RS)-2-Hydroxypropionsaeure|1-Hydroxyethanecarboxylic acid|2-Hydroxy-2-methylacetic acid|2-Hydroxypropanoic acid|2-Hydroxypropionic acid|Acide lactique|acido lactico|Acidum lacticum|Aethylidenmilchsaeure|alpha-Hydroxypropionic acid|BRN 5238667|Chem-Cast|Cheongin haejanghwan|Cheongin haewoohwan|Cheongin samrakhan|DL-Lactic Acid|DL-Milchsaeure|EINECS 200-018-0|EINECS 209-954-4|EPA Pesticide Chemical Code 128929|Ethylidenelactic acid|FEMA No. 2611|FEMA Number 2611|Kyselina 2-hydroxypropanova|Kyselina mlecna|Lactate|Lactic acid USP|Lacticum acidum|Lactovagan|MILCHSAEURE|Milchsaure|Milk acid|NSC 367919|Ordinary lactic acid|Propanoic acid, 2-hydroxy-|Propanoic acid,2-hydroxy-,(+-)-|Propionic acid, 2-hydroxy-|Purac FCC 80|Purac FCC 88|Racemic lactic acid|Tonsillosan|UNII-3B8D35Y7S4|a-Hydroxypropanoic acid|a-Hydroxypropionic acid|1334714-39-4|152-36-3|598-82-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023192 https://doi.org/10.22427/NTP-DATA-DTXSID7023192
ARPathway2016 ARPathway2016_1243 Lactic acid 50-21-5 DTXSID7023192 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(O)C(O)=O Lactic acid 50-21-5|Lactic acid|(+/-)-Lactic acid|(RS)-2-Hydroxypropionsaeure|1-Hydroxyethanecarboxylic acid|2-Hydroxy-2-methylacetic acid|2-Hydroxypropanoic acid|2-Hydroxypropionic acid|Acide lactique|acido lactico|Acidum lacticum|Aethylidenmilchsaeure|alpha-Hydroxypropionic acid|BRN 5238667|Chem-Cast|Cheongin haejanghwan|Cheongin haewoohwan|Cheongin samrakhan|DL-Lactic Acid|DL-Milchsaeure|EINECS 200-018-0|EINECS 209-954-4|EPA Pesticide Chemical Code 128929|Ethylidenelactic acid|FEMA No. 2611|FEMA Number 2611|Kyselina 2-hydroxypropanova|Kyselina mlecna|Lactate|Lactic acid USP|Lacticum acidum|Lactovagan|MILCHSAEURE|Milchsaure|Milk acid|NSC 367919|Ordinary lactic acid|Propanoic acid, 2-hydroxy-|Propanoic acid,2-hydroxy-,(+-)-|Propionic acid, 2-hydroxy-|Purac FCC 80|Purac FCC 88|Racemic lactic acid|Tonsillosan|UNII-3B8D35Y7S4|a-Hydroxypropanoic acid|a-Hydroxypropionic acid|1334714-39-4|152-36-3|598-82-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023192 https://doi.org/10.22427/NTP-DATA-DTXSID7023192
ERPathway2016 ERPathway2016_1496 Lactic acid 50-21-5 DTXSID7023192 ER Pathway Model, Agonist Model Score 0 Unitless CC(O)C(O)=O Lactic acid 50-21-5|Lactic acid|(+/-)-Lactic acid|(RS)-2-Hydroxypropionsaeure|1-Hydroxyethanecarboxylic acid|2-Hydroxy-2-methylacetic acid|2-Hydroxypropanoic acid|2-Hydroxypropionic acid|Acide lactique|acido lactico|Acidum lacticum|Aethylidenmilchsaeure|alpha-Hydroxypropionic acid|BRN 5238667|Chem-Cast|Cheongin haejanghwan|Cheongin haewoohwan|Cheongin samrakhan|DL-Lactic Acid|DL-Milchsaeure|EINECS 200-018-0|EINECS 209-954-4|EPA Pesticide Chemical Code 128929|Ethylidenelactic acid|FEMA No. 2611|FEMA Number 2611|Kyselina 2-hydroxypropanova|Kyselina mlecna|Lactate|Lactic acid USP|Lacticum acidum|Lactovagan|MILCHSAEURE|Milchsaure|Milk acid|NSC 367919|Ordinary lactic acid|Propanoic acid, 2-hydroxy-|Propanoic acid,2-hydroxy-,(+-)-|Propionic acid, 2-hydroxy-|Purac FCC 80|Purac FCC 88|Racemic lactic acid|Tonsillosan|UNII-3B8D35Y7S4|a-Hydroxypropanoic acid|a-Hydroxypropionic acid|1334714-39-4|152-36-3|598-82-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023192 https://doi.org/10.22427/NTP-DATA-DTXSID7023192
ERPathway2016 ERPathway2016_1496 Lactic acid 50-21-5 DTXSID7023192 ER Pathway Model, Antagonist Model Score 0 Unitless CC(O)C(O)=O Lactic acid 50-21-5|Lactic acid|(+/-)-Lactic acid|(RS)-2-Hydroxypropionsaeure|1-Hydroxyethanecarboxylic acid|2-Hydroxy-2-methylacetic acid|2-Hydroxypropanoic acid|2-Hydroxypropionic acid|Acide lactique|acido lactico|Acidum lacticum|Aethylidenmilchsaeure|alpha-Hydroxypropionic acid|BRN 5238667|Chem-Cast|Cheongin haejanghwan|Cheongin haewoohwan|Cheongin samrakhan|DL-Lactic Acid|DL-Milchsaeure|EINECS 200-018-0|EINECS 209-954-4|EPA Pesticide Chemical Code 128929|Ethylidenelactic acid|FEMA No. 2611|FEMA Number 2611|Kyselina 2-hydroxypropanova|Kyselina mlecna|Lactate|Lactic acid USP|Lacticum acidum|Lactovagan|MILCHSAEURE|Milchsaure|Milk acid|NSC 367919|Ordinary lactic acid|Propanoic acid, 2-hydroxy-|Propanoic acid,2-hydroxy-,(+-)-|Propionic acid, 2-hydroxy-|Purac FCC 80|Purac FCC 88|Racemic lactic acid|Tonsillosan|UNII-3B8D35Y7S4|a-Hydroxypropanoic acid|a-Hydroxypropionic acid|1334714-39-4|152-36-3|598-82-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023192 https://doi.org/10.22427/NTP-DATA-DTXSID7023192
ERPathway2016 ERPathway2016_1496 Lactic acid 50-21-5 DTXSID7023192 ER Pathway Model, Agonist Call Inactive Unitless CC(O)C(O)=O Lactic acid 50-21-5|Lactic acid|(+/-)-Lactic acid|(RS)-2-Hydroxypropionsaeure|1-Hydroxyethanecarboxylic acid|2-Hydroxy-2-methylacetic acid|2-Hydroxypropanoic acid|2-Hydroxypropionic acid|Acide lactique|acido lactico|Acidum lacticum|Aethylidenmilchsaeure|alpha-Hydroxypropionic acid|BRN 5238667|Chem-Cast|Cheongin haejanghwan|Cheongin haewoohwan|Cheongin samrakhan|DL-Lactic Acid|DL-Milchsaeure|EINECS 200-018-0|EINECS 209-954-4|EPA Pesticide Chemical Code 128929|Ethylidenelactic acid|FEMA No. 2611|FEMA Number 2611|Kyselina 2-hydroxypropanova|Kyselina mlecna|Lactate|Lactic acid USP|Lacticum acidum|Lactovagan|MILCHSAEURE|Milchsaure|Milk acid|NSC 367919|Ordinary lactic acid|Propanoic acid, 2-hydroxy-|Propanoic acid,2-hydroxy-,(+-)-|Propionic acid, 2-hydroxy-|Purac FCC 80|Purac FCC 88|Racemic lactic acid|Tonsillosan|UNII-3B8D35Y7S4|a-Hydroxypropanoic acid|a-Hydroxypropionic acid|1334714-39-4|152-36-3|598-82-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023192 https://doi.org/10.22427/NTP-DATA-DTXSID7023192
ERPathway2016 ERPathway2016_1496 Lactic acid 50-21-5 DTXSID7023192 ER Pathway Model, Antagonist Call Inactive Unitless CC(O)C(O)=O Lactic acid 50-21-5|Lactic acid|(+/-)-Lactic acid|(RS)-2-Hydroxypropionsaeure|1-Hydroxyethanecarboxylic acid|2-Hydroxy-2-methylacetic acid|2-Hydroxypropanoic acid|2-Hydroxypropionic acid|Acide lactique|acido lactico|Acidum lacticum|Aethylidenmilchsaeure|alpha-Hydroxypropionic acid|BRN 5238667|Chem-Cast|Cheongin haejanghwan|Cheongin haewoohwan|Cheongin samrakhan|DL-Lactic Acid|DL-Milchsaeure|EINECS 200-018-0|EINECS 209-954-4|EPA Pesticide Chemical Code 128929|Ethylidenelactic acid|FEMA No. 2611|FEMA Number 2611|Kyselina 2-hydroxypropanova|Kyselina mlecna|Lactate|Lactic acid USP|Lacticum acidum|Lactovagan|MILCHSAEURE|Milchsaure|Milk acid|NSC 367919|Ordinary lactic acid|Propanoic acid, 2-hydroxy-|Propanoic acid,2-hydroxy-,(+-)-|Propionic acid, 2-hydroxy-|Purac FCC 80|Purac FCC 88|Racemic lactic acid|Tonsillosan|UNII-3B8D35Y7S4|a-Hydroxypropanoic acid|a-Hydroxypropionic acid|1334714-39-4|152-36-3|598-82-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023192 https://doi.org/10.22427/NTP-DATA-DTXSID7023192
ARPathway2016 ARPathway2016_1551 Lactofen 77501-63-4 DTXSID7024160 True antagonist shift (No hit/Hit) 2.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C(C)OC(=O)C1=C(C=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O Lactofen 77501-63-4|Lactofen|1'-(Carboethoxy)ethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate|2-Ethoxy-1-methyl-2-oxoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate|Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-ethoxy-1-methyl-2-oxoethyl ester|Cobra|Cobra (herbicide)|EPA Pesticide Chemical Code 128888|Phoenix|Phoenix (herbicide)|PPG 844|143956-87-0|83513-60-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024160
ARPathway2016 ARPathway2016_1551 Lactofen 77501-63-4 DTXSID7024160 True antagonist shift (No hit/Hit) 2.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C(C)OC(=O)C1=C(C=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O Lactofen 77501-63-4|Lactofen|1'-(Carboethoxy)ethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate|2-Ethoxy-1-methyl-2-oxoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate|Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-ethoxy-1-methyl-2-oxoethyl ester|Cobra|Cobra (herbicide)|EPA Pesticide Chemical Code 128888|Phoenix|Phoenix (herbicide)|PPG 844|143956-87-0|83513-60-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024160
ARPathway2016 ARPathway2016_1551 Lactofen 77501-63-4 DTXSID7024160 True antagonist shift (No hit/Hit) 2.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C(C)OC(=O)C1=C(C=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O Lactofen 77501-63-4|Lactofen|1'-(Carboethoxy)ethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate|2-Ethoxy-1-methyl-2-oxoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate|Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-ethoxy-1-methyl-2-oxoethyl ester|Cobra|Cobra (herbicide)|EPA Pesticide Chemical Code 128888|Phoenix|Phoenix (herbicide)|PPG 844|143956-87-0|83513-60-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024160
ARPathway2016 ARPathway2016_1551 Lactofen 77501-63-4 DTXSID7024160 True antagonist shift (No hit/Hit) 2.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C(C)OC(=O)C1=C(C=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O Lactofen 77501-63-4|Lactofen|1'-(Carboethoxy)ethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate|2-Ethoxy-1-methyl-2-oxoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate|Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-ethoxy-1-methyl-2-oxoethyl ester|Cobra|Cobra (herbicide)|EPA Pesticide Chemical Code 128888|Phoenix|Phoenix (herbicide)|PPG 844|143956-87-0|83513-60-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024160
ERPathway2016 ERPathway2016_682 Lactofen 77501-63-4 DTXSID7024160 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C(C)OC(=O)C1=C(C=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O Lactofen 77501-63-4|Lactofen|1'-(Carboethoxy)ethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate|2-Ethoxy-1-methyl-2-oxoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate|Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-ethoxy-1-methyl-2-oxoethyl ester|Cobra|Cobra (herbicide)|EPA Pesticide Chemical Code 128888|Phoenix|Phoenix (herbicide)|PPG 844|143956-87-0|83513-60-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024160
ERPathway2016 ERPathway2016_682 Lactofen 77501-63-4 DTXSID7024160 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C(C)OC(=O)C1=C(C=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O Lactofen 77501-63-4|Lactofen|1'-(Carboethoxy)ethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate|2-Ethoxy-1-methyl-2-oxoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate|Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-ethoxy-1-methyl-2-oxoethyl ester|Cobra|Cobra (herbicide)|EPA Pesticide Chemical Code 128888|Phoenix|Phoenix (herbicide)|PPG 844|143956-87-0|83513-60-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024160
ERPathway2016 ERPathway2016_682 Lactofen 77501-63-4 DTXSID7024160 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C(C)OC(=O)C1=C(C=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O Lactofen 77501-63-4|Lactofen|1'-(Carboethoxy)ethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate|2-Ethoxy-1-methyl-2-oxoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate|Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-ethoxy-1-methyl-2-oxoethyl ester|Cobra|Cobra (herbicide)|EPA Pesticide Chemical Code 128888|Phoenix|Phoenix (herbicide)|PPG 844|143956-87-0|83513-60-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024160
ERPathway2016 ERPathway2016_682 Lactofen 77501-63-4 DTXSID7024160 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C(C)OC(=O)C1=C(C=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O Lactofen 77501-63-4|Lactofen|1'-(Carboethoxy)ethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate|2-Ethoxy-1-methyl-2-oxoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate|Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-ethoxy-1-methyl-2-oxoethyl ester|Cobra|Cobra (herbicide)|EPA Pesticide Chemical Code 128888|Phoenix|Phoenix (herbicide)|PPG 844|143956-87-0|83513-60-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024160
ARPathway2016 ARPathway2016_1428 Lactose 63-42-3 DTXSID2023193 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO Lactose 63-42-3|Lactose|(+)-Lactose|4-(beta-D-Galactosido)-D-glucose|4-17-00-03066|4-O-beta-D-Galactopyranosyl-beta-D-glucopyranose|4-O-beta-D-Galactopyranosyl-D-glucose (name for open ring)|4-O-b-D-Galactopyranosyl-b-D-glucopyranose|Aletobiose|beta-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-|BRN 0093796|D-(+)-Lactose|D-Glucose, 4-O-beta-D-galactopyranosyl- (name for open ring)|D-GLUCOSE, 4-O-Beta-D-GALACTOPYRANOSYL-(name for open ring)|EINECS 200-559-2|Fast-flo|Fast-Flo Lactose|Flowlac 100|Galactinum|Granulac 140M|Lactobiose|Lactohale 300|lactosa|Lactose anhydride|Lactose anhydrous|Lactose Fast-flo|LACTOSE NF, ANHYDROUS|Lactose, anhydrous|Milk sugar|Nonpareil 107|Osmolactan|Pharmatosa DCL 21|Pharmatose 21|Pharmatose 325M|Pharmatose 450M|Pharmatose DCL 15|Prismalac|Respitose ML 003|Respitose SV 003|Saccharum lactin|Sachelac|Sorbalac 400|Sorbolac 400|Spherolac|Super-Tab|Tablettose|Tablettose 70|Tablettose 80|UNII-3SY5LH9PMK|Zeparox EP|b-D-Glucopyranose, 4-O-b-D-galactopyranosyl-|1065027-17-9|1336-90-9|200734-90-3|35396-14-6|36570-80-6|396716-09-9|73824-63-2|89466-76-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023193
ARPathway2016 ARPathway2016_1428 Lactose 63-42-3 DTXSID2023193 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [H][C@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO Lactose 63-42-3|Lactose|(+)-Lactose|4-(beta-D-Galactosido)-D-glucose|4-17-00-03066|4-O-beta-D-Galactopyranosyl-beta-D-glucopyranose|4-O-beta-D-Galactopyranosyl-D-glucose (name for open ring)|4-O-b-D-Galactopyranosyl-b-D-glucopyranose|Aletobiose|beta-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-|BRN 0093796|D-(+)-Lactose|D-Glucose, 4-O-beta-D-galactopyranosyl- (name for open ring)|D-GLUCOSE, 4-O-Beta-D-GALACTOPYRANOSYL-(name for open ring)|EINECS 200-559-2|Fast-flo|Fast-Flo Lactose|Flowlac 100|Galactinum|Granulac 140M|Lactobiose|Lactohale 300|lactosa|Lactose anhydride|Lactose anhydrous|Lactose Fast-flo|LACTOSE NF, ANHYDROUS|Lactose, anhydrous|Milk sugar|Nonpareil 107|Osmolactan|Pharmatosa DCL 21|Pharmatose 21|Pharmatose 325M|Pharmatose 450M|Pharmatose DCL 15|Prismalac|Respitose ML 003|Respitose SV 003|Saccharum lactin|Sachelac|Sorbalac 400|Sorbolac 400|Spherolac|Super-Tab|Tablettose|Tablettose 70|Tablettose 80|UNII-3SY5LH9PMK|Zeparox EP|b-D-Glucopyranose, 4-O-b-D-galactopyranosyl-|1065027-17-9|1336-90-9|200734-90-3|35396-14-6|36570-80-6|396716-09-9|73824-63-2|89466-76-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023193
ARPathway2016 ARPathway2016_1428 Lactose 63-42-3 DTXSID2023193 0.0 AR Pathway Model, Agonist Call Inactive Unitless [H][C@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO Lactose 63-42-3|Lactose|(+)-Lactose|4-(beta-D-Galactosido)-D-glucose|4-17-00-03066|4-O-beta-D-Galactopyranosyl-beta-D-glucopyranose|4-O-beta-D-Galactopyranosyl-D-glucose (name for open ring)|4-O-b-D-Galactopyranosyl-b-D-glucopyranose|Aletobiose|beta-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-|BRN 0093796|D-(+)-Lactose|D-Glucose, 4-O-beta-D-galactopyranosyl- (name for open ring)|D-GLUCOSE, 4-O-Beta-D-GALACTOPYRANOSYL-(name for open ring)|EINECS 200-559-2|Fast-flo|Fast-Flo Lactose|Flowlac 100|Galactinum|Granulac 140M|Lactobiose|Lactohale 300|lactosa|Lactose anhydride|Lactose anhydrous|Lactose Fast-flo|LACTOSE NF, ANHYDROUS|Lactose, anhydrous|Milk sugar|Nonpareil 107|Osmolactan|Pharmatosa DCL 21|Pharmatose 21|Pharmatose 325M|Pharmatose 450M|Pharmatose DCL 15|Prismalac|Respitose ML 003|Respitose SV 003|Saccharum lactin|Sachelac|Sorbalac 400|Sorbolac 400|Spherolac|Super-Tab|Tablettose|Tablettose 70|Tablettose 80|UNII-3SY5LH9PMK|Zeparox EP|b-D-Glucopyranose, 4-O-b-D-galactopyranosyl-|1065027-17-9|1336-90-9|200734-90-3|35396-14-6|36570-80-6|396716-09-9|73824-63-2|89466-76-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023193
ARPathway2016 ARPathway2016_1428 Lactose 63-42-3 DTXSID2023193 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [H][C@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO Lactose 63-42-3|Lactose|(+)-Lactose|4-(beta-D-Galactosido)-D-glucose|4-17-00-03066|4-O-beta-D-Galactopyranosyl-beta-D-glucopyranose|4-O-beta-D-Galactopyranosyl-D-glucose (name for open ring)|4-O-b-D-Galactopyranosyl-b-D-glucopyranose|Aletobiose|beta-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-|BRN 0093796|D-(+)-Lactose|D-Glucose, 4-O-beta-D-galactopyranosyl- (name for open ring)|D-GLUCOSE, 4-O-Beta-D-GALACTOPYRANOSYL-(name for open ring)|EINECS 200-559-2|Fast-flo|Fast-Flo Lactose|Flowlac 100|Galactinum|Granulac 140M|Lactobiose|Lactohale 300|lactosa|Lactose anhydride|Lactose anhydrous|Lactose Fast-flo|LACTOSE NF, ANHYDROUS|Lactose, anhydrous|Milk sugar|Nonpareil 107|Osmolactan|Pharmatosa DCL 21|Pharmatose 21|Pharmatose 325M|Pharmatose 450M|Pharmatose DCL 15|Prismalac|Respitose ML 003|Respitose SV 003|Saccharum lactin|Sachelac|Sorbalac 400|Sorbolac 400|Spherolac|Super-Tab|Tablettose|Tablettose 70|Tablettose 80|UNII-3SY5LH9PMK|Zeparox EP|b-D-Glucopyranose, 4-O-b-D-galactopyranosyl-|1065027-17-9|1336-90-9|200734-90-3|35396-14-6|36570-80-6|396716-09-9|73824-63-2|89466-76-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023193
ERPathway2016 ERPathway2016_1587 Lactose 63-42-3 DTXSID2023193 ER Pathway Model, Agonist Model Score 0 Unitless [H][C@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO Lactose 63-42-3|Lactose|(+)-Lactose|4-(beta-D-Galactosido)-D-glucose|4-17-00-03066|4-O-beta-D-Galactopyranosyl-beta-D-glucopyranose|4-O-beta-D-Galactopyranosyl-D-glucose (name for open ring)|4-O-b-D-Galactopyranosyl-b-D-glucopyranose|Aletobiose|beta-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-|BRN 0093796|D-(+)-Lactose|D-Glucose, 4-O-beta-D-galactopyranosyl- (name for open ring)|D-GLUCOSE, 4-O-Beta-D-GALACTOPYRANOSYL-(name for open ring)|EINECS 200-559-2|Fast-flo|Fast-Flo Lactose|Flowlac 100|Galactinum|Granulac 140M|Lactobiose|Lactohale 300|lactosa|Lactose anhydride|Lactose anhydrous|Lactose Fast-flo|LACTOSE NF, ANHYDROUS|Lactose, anhydrous|Milk sugar|Nonpareil 107|Osmolactan|Pharmatosa DCL 21|Pharmatose 21|Pharmatose 325M|Pharmatose 450M|Pharmatose DCL 15|Prismalac|Respitose ML 003|Respitose SV 003|Saccharum lactin|Sachelac|Sorbalac 400|Sorbolac 400|Spherolac|Super-Tab|Tablettose|Tablettose 70|Tablettose 80|UNII-3SY5LH9PMK|Zeparox EP|b-D-Glucopyranose, 4-O-b-D-galactopyranosyl-|1065027-17-9|1336-90-9|200734-90-3|35396-14-6|36570-80-6|396716-09-9|73824-63-2|89466-76-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023193
ERPathway2016 ERPathway2016_1587 Lactose 63-42-3 DTXSID2023193 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO Lactose 63-42-3|Lactose|(+)-Lactose|4-(beta-D-Galactosido)-D-glucose|4-17-00-03066|4-O-beta-D-Galactopyranosyl-beta-D-glucopyranose|4-O-beta-D-Galactopyranosyl-D-glucose (name for open ring)|4-O-b-D-Galactopyranosyl-b-D-glucopyranose|Aletobiose|beta-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-|BRN 0093796|D-(+)-Lactose|D-Glucose, 4-O-beta-D-galactopyranosyl- (name for open ring)|D-GLUCOSE, 4-O-Beta-D-GALACTOPYRANOSYL-(name for open ring)|EINECS 200-559-2|Fast-flo|Fast-Flo Lactose|Flowlac 100|Galactinum|Granulac 140M|Lactobiose|Lactohale 300|lactosa|Lactose anhydride|Lactose anhydrous|Lactose Fast-flo|LACTOSE NF, ANHYDROUS|Lactose, anhydrous|Milk sugar|Nonpareil 107|Osmolactan|Pharmatosa DCL 21|Pharmatose 21|Pharmatose 325M|Pharmatose 450M|Pharmatose DCL 15|Prismalac|Respitose ML 003|Respitose SV 003|Saccharum lactin|Sachelac|Sorbalac 400|Sorbolac 400|Spherolac|Super-Tab|Tablettose|Tablettose 70|Tablettose 80|UNII-3SY5LH9PMK|Zeparox EP|b-D-Glucopyranose, 4-O-b-D-galactopyranosyl-|1065027-17-9|1336-90-9|200734-90-3|35396-14-6|36570-80-6|396716-09-9|73824-63-2|89466-76-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023193
ERPathway2016 ERPathway2016_1587 Lactose 63-42-3 DTXSID2023193 ER Pathway Model, Agonist Call Inactive Unitless [H][C@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO Lactose 63-42-3|Lactose|(+)-Lactose|4-(beta-D-Galactosido)-D-glucose|4-17-00-03066|4-O-beta-D-Galactopyranosyl-beta-D-glucopyranose|4-O-beta-D-Galactopyranosyl-D-glucose (name for open ring)|4-O-b-D-Galactopyranosyl-b-D-glucopyranose|Aletobiose|beta-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-|BRN 0093796|D-(+)-Lactose|D-Glucose, 4-O-beta-D-galactopyranosyl- (name for open ring)|D-GLUCOSE, 4-O-Beta-D-GALACTOPYRANOSYL-(name for open ring)|EINECS 200-559-2|Fast-flo|Fast-Flo Lactose|Flowlac 100|Galactinum|Granulac 140M|Lactobiose|Lactohale 300|lactosa|Lactose anhydride|Lactose anhydrous|Lactose Fast-flo|LACTOSE NF, ANHYDROUS|Lactose, anhydrous|Milk sugar|Nonpareil 107|Osmolactan|Pharmatosa DCL 21|Pharmatose 21|Pharmatose 325M|Pharmatose 450M|Pharmatose DCL 15|Prismalac|Respitose ML 003|Respitose SV 003|Saccharum lactin|Sachelac|Sorbalac 400|Sorbolac 400|Spherolac|Super-Tab|Tablettose|Tablettose 70|Tablettose 80|UNII-3SY5LH9PMK|Zeparox EP|b-D-Glucopyranose, 4-O-b-D-galactopyranosyl-|1065027-17-9|1336-90-9|200734-90-3|35396-14-6|36570-80-6|396716-09-9|73824-63-2|89466-76-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023193
ERPathway2016 ERPathway2016_1587 Lactose 63-42-3 DTXSID2023193 ER Pathway Model, Antagonist Call Inactive Unitless [H][C@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO Lactose 63-42-3|Lactose|(+)-Lactose|4-(beta-D-Galactosido)-D-glucose|4-17-00-03066|4-O-beta-D-Galactopyranosyl-beta-D-glucopyranose|4-O-beta-D-Galactopyranosyl-D-glucose (name for open ring)|4-O-b-D-Galactopyranosyl-b-D-glucopyranose|Aletobiose|beta-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-|BRN 0093796|D-(+)-Lactose|D-Glucose, 4-O-beta-D-galactopyranosyl- (name for open ring)|D-GLUCOSE, 4-O-Beta-D-GALACTOPYRANOSYL-(name for open ring)|EINECS 200-559-2|Fast-flo|Fast-Flo Lactose|Flowlac 100|Galactinum|Granulac 140M|Lactobiose|Lactohale 300|lactosa|Lactose anhydride|Lactose anhydrous|Lactose Fast-flo|LACTOSE NF, ANHYDROUS|Lactose, anhydrous|Milk sugar|Nonpareil 107|Osmolactan|Pharmatosa DCL 21|Pharmatose 21|Pharmatose 325M|Pharmatose 450M|Pharmatose DCL 15|Prismalac|Respitose ML 003|Respitose SV 003|Saccharum lactin|Sachelac|Sorbalac 400|Sorbolac 400|Spherolac|Super-Tab|Tablettose|Tablettose 70|Tablettose 80|UNII-3SY5LH9PMK|Zeparox EP|b-D-Glucopyranose, 4-O-b-D-galactopyranosyl-|1065027-17-9|1336-90-9|200734-90-3|35396-14-6|36570-80-6|396716-09-9|73824-63-2|89466-76-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023193
ARPathway2016 ARPathway2016_1709 lambda-Cyhalothrin 91465-08-6 DTXSID7032559 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)[C@H](C=C(/Cl)C(F)(F)F)[C@@H]1C(=O)O[C@@H](C#N)C1=CC(OC2=CC=CC=C2)=CC=C1 lambda-Cyhalothrin 91465-08-6|lambda-Cyhalothrin|415-130-7|A 1:1 mixture of (S)-a-cyano-3-phenoxybenzyl; (Z)-(1R)-cis-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate; (R)-a-cyano-3-phenoxybenzyl (Z)-(1S)-cis-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate|A 12871A|CGA 337745|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [1a(S*),3a(Z)]-(+/-)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (1R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-|Cyhalothrin K|CYHALOTHRIN, l-|EC No.: 415-130-7|EEC No.: 415-130-7|ELINCS 415-130-7|Hallmark|ICI-A 0321|Karate|Karate K|Karate King|Karate Z|Karate Zeon|Kung Fu|Lambda cialot|96777-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032559
ARPathway2016 ARPathway2016_1709 lambda-Cyhalothrin 91465-08-6 DTXSID7032559 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)[C@H](C=C(/Cl)C(F)(F)F)[C@@H]1C(=O)O[C@@H](C#N)C1=CC(OC2=CC=CC=C2)=CC=C1 lambda-Cyhalothrin 91465-08-6|lambda-Cyhalothrin|415-130-7|A 1:1 mixture of (S)-a-cyano-3-phenoxybenzyl; (Z)-(1R)-cis-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate; (R)-a-cyano-3-phenoxybenzyl (Z)-(1S)-cis-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate|A 12871A|CGA 337745|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [1a(S*),3a(Z)]-(+/-)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (1R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-|Cyhalothrin K|CYHALOTHRIN, l-|EC No.: 415-130-7|EEC No.: 415-130-7|ELINCS 415-130-7|Hallmark|ICI-A 0321|Karate|Karate K|Karate King|Karate Z|Karate Zeon|Kung Fu|Lambda cialot|96777-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032559
ARPathway2016 ARPathway2016_1709 lambda-Cyhalothrin 91465-08-6 DTXSID7032559 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)[C@H](C=C(/Cl)C(F)(F)F)[C@@H]1C(=O)O[C@@H](C#N)C1=CC(OC2=CC=CC=C2)=CC=C1 lambda-Cyhalothrin 91465-08-6|lambda-Cyhalothrin|415-130-7|A 1:1 mixture of (S)-a-cyano-3-phenoxybenzyl; (Z)-(1R)-cis-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate; (R)-a-cyano-3-phenoxybenzyl (Z)-(1S)-cis-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate|A 12871A|CGA 337745|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [1a(S*),3a(Z)]-(+/-)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (1R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-|Cyhalothrin K|CYHALOTHRIN, l-|EC No.: 415-130-7|EEC No.: 415-130-7|ELINCS 415-130-7|Hallmark|ICI-A 0321|Karate|Karate K|Karate King|Karate Z|Karate Zeon|Kung Fu|Lambda cialot|96777-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032559
ARPathway2016 ARPathway2016_1709 lambda-Cyhalothrin 91465-08-6 DTXSID7032559 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)[C@H](C=C(/Cl)C(F)(F)F)[C@@H]1C(=O)O[C@@H](C#N)C1=CC(OC2=CC=CC=C2)=CC=C1 lambda-Cyhalothrin 91465-08-6|lambda-Cyhalothrin|415-130-7|A 1:1 mixture of (S)-a-cyano-3-phenoxybenzyl; (Z)-(1R)-cis-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate; (R)-a-cyano-3-phenoxybenzyl (Z)-(1S)-cis-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate|A 12871A|CGA 337745|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [1a(S*),3a(Z)]-(+/-)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (1R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-|Cyhalothrin K|CYHALOTHRIN, l-|EC No.: 415-130-7|EEC No.: 415-130-7|ELINCS 415-130-7|Hallmark|ICI-A 0321|Karate|Karate K|Karate King|Karate Z|Karate Zeon|Kung Fu|Lambda cialot|96777-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032559
ERPathway2016 ERPathway2016_1739 lambda-Cyhalothrin 91465-08-6 DTXSID7032559 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)[C@H](C=C(/Cl)C(F)(F)F)[C@@H]1C(=O)O[C@@H](C#N)C1=CC(OC2=CC=CC=C2)=CC=C1 lambda-Cyhalothrin 91465-08-6|lambda-Cyhalothrin|415-130-7|A 1:1 mixture of (S)-a-cyano-3-phenoxybenzyl; (Z)-(1R)-cis-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate; (R)-a-cyano-3-phenoxybenzyl (Z)-(1S)-cis-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate|A 12871A|CGA 337745|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [1a(S*),3a(Z)]-(+/-)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (1R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-|Cyhalothrin K|CYHALOTHRIN, l-|EC No.: 415-130-7|EEC No.: 415-130-7|ELINCS 415-130-7|Hallmark|ICI-A 0321|Karate|Karate K|Karate King|Karate Z|Karate Zeon|Kung Fu|Lambda cialot|96777-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032559
ERPathway2016 ERPathway2016_1739 lambda-Cyhalothrin 91465-08-6 DTXSID7032559 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)[C@H](C=C(/Cl)C(F)(F)F)[C@@H]1C(=O)O[C@@H](C#N)C1=CC(OC2=CC=CC=C2)=CC=C1 lambda-Cyhalothrin 91465-08-6|lambda-Cyhalothrin|415-130-7|A 1:1 mixture of (S)-a-cyano-3-phenoxybenzyl; (Z)-(1R)-cis-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate; (R)-a-cyano-3-phenoxybenzyl (Z)-(1S)-cis-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate|A 12871A|CGA 337745|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [1a(S*),3a(Z)]-(+/-)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (1R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-|Cyhalothrin K|CYHALOTHRIN, l-|EC No.: 415-130-7|EEC No.: 415-130-7|ELINCS 415-130-7|Hallmark|ICI-A 0321|Karate|Karate K|Karate King|Karate Z|Karate Zeon|Kung Fu|Lambda cialot|96777-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032559
ERPathway2016 ERPathway2016_1739 lambda-Cyhalothrin 91465-08-6 DTXSID7032559 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)[C@H](C=C(/Cl)C(F)(F)F)[C@@H]1C(=O)O[C@@H](C#N)C1=CC(OC2=CC=CC=C2)=CC=C1 lambda-Cyhalothrin 91465-08-6|lambda-Cyhalothrin|415-130-7|A 1:1 mixture of (S)-a-cyano-3-phenoxybenzyl; (Z)-(1R)-cis-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate; (R)-a-cyano-3-phenoxybenzyl (Z)-(1S)-cis-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate|A 12871A|CGA 337745|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [1a(S*),3a(Z)]-(+/-)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (1R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-|Cyhalothrin K|CYHALOTHRIN, l-|EC No.: 415-130-7|EEC No.: 415-130-7|ELINCS 415-130-7|Hallmark|ICI-A 0321|Karate|Karate K|Karate King|Karate Z|Karate Zeon|Kung Fu|Lambda cialot|96777-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032559
ERPathway2016 ERPathway2016_1739 lambda-Cyhalothrin 91465-08-6 DTXSID7032559 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)[C@H](C=C(/Cl)C(F)(F)F)[C@@H]1C(=O)O[C@@H](C#N)C1=CC(OC2=CC=CC=C2)=CC=C1 lambda-Cyhalothrin 91465-08-6|lambda-Cyhalothrin|415-130-7|A 1:1 mixture of (S)-a-cyano-3-phenoxybenzyl; (Z)-(1R)-cis-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate; (R)-a-cyano-3-phenoxybenzyl (Z)-(1S)-cis-3-(2-chloro-3,3,3-trifluoropropenyl)-2,2-dimethylcyclopropanecarboxylate|A 12871A|CGA 337745|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [1a(S*),3a(Z)]-(+/-)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (1R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (R)-cyano(3-phenoxyphenyl)methyl ester, (1S,3S)-rel-|Cyhalothrin K|CYHALOTHRIN, l-|EC No.: 415-130-7|EEC No.: 415-130-7|ELINCS 415-130-7|Hallmark|ICI-A 0321|Karate|Karate K|Karate King|Karate Z|Karate Zeon|Kung Fu|Lambda cialot|96777-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032559
ARPathway2016 ARPathway2016_1249 L-Ascorbic acid 50-81-7 DTXSID5020106 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO L-Ascorbic acid 50-81-7|L-Ascorbic acid|(+)-ascorbate|(+)-Ascorbic acid|(+)-Sodium L-ascorbate|(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one|3-keto-L-Gulofuranolactone|3-Oxo-L-gulofuranolactone|Acide ascorbique|acido ascorbico|Acidum ascorbicum|acidum ascorbinicum|Adenex|Allercorb|Antiscorbic vitamin|Antiscorbutic vitamin|Arco-cee|Ascoltin|Ascor-B.I.D.|Ascorb|Ascorbajen|Ascorbic acid|Ascorbic acid (vitamin C)|ASCORBIC ACID, L-|Ascorbicab|Ascorbicap|Ascorbicin|Ascorbin|ASCORBINSAEURE|Ascorbinsaure|Ascorbutina|Ascorell|Ascorin|Ascorteal|Ascorvit|C-Level|C-Long|C-Quin|C-Span|C-Vimin|Cantan|Cantaxin|Caswell No. 061B|Catavin C|Ce lent|Ce-Mi-Lin|Ce-Vi-Sol|Cebicure|Cebid|Cebion|Cebion, g-lactone|Cebione|Cecon|Cee-caps TD|Cee-vite|Cegiolan|Ceglion|Ceklin|Celaskon|Celin|Cell C|Cemagyl|Cemill|Cenetone|Cenolate|Cereon|Cergona|Cescorbat|Cetamid|Cetane|Cetane-Caps TC|Cetane-caps TD|Cetebe|Cetemican|Cevalin|Cevatine|Cevex|Cevi-bid|Cevimin|Cevital|Cevitamate|Cevitamic acid|Cevitamin|Cevitan|Cevitex|Cewin|Chewcee|Ciamin|Cipca|Citriscorb|Ci|1018124-03-2|1129294-89-8|129940-97-2|1428525-25-0|14536-17-5|154170-90-8|1703051-92-6|259133-78-3|30208-61-8|50976-75-5|56172-55-5|56533-05-2|57304-74-2|57606-40-3|623158-95-2|882690-91-7|884381-69-5|885512-24-3|88845-26-5|896436-13-8|89924-69-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020106 https://doi.org/10.22427/NTP-DATA-DTXSID5020106
ARPathway2016 ARPathway2016_1249 L-Ascorbic acid 50-81-7 DTXSID5020106 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO L-Ascorbic acid 50-81-7|L-Ascorbic acid|(+)-ascorbate|(+)-Ascorbic acid|(+)-Sodium L-ascorbate|(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one|3-keto-L-Gulofuranolactone|3-Oxo-L-gulofuranolactone|Acide ascorbique|acido ascorbico|Acidum ascorbicum|acidum ascorbinicum|Adenex|Allercorb|Antiscorbic vitamin|Antiscorbutic vitamin|Arco-cee|Ascoltin|Ascor-B.I.D.|Ascorb|Ascorbajen|Ascorbic acid|Ascorbic acid (vitamin C)|ASCORBIC ACID, L-|Ascorbicab|Ascorbicap|Ascorbicin|Ascorbin|ASCORBINSAEURE|Ascorbinsaure|Ascorbutina|Ascorell|Ascorin|Ascorteal|Ascorvit|C-Level|C-Long|C-Quin|C-Span|C-Vimin|Cantan|Cantaxin|Caswell No. 061B|Catavin C|Ce lent|Ce-Mi-Lin|Ce-Vi-Sol|Cebicure|Cebid|Cebion|Cebion, g-lactone|Cebione|Cecon|Cee-caps TD|Cee-vite|Cegiolan|Ceglion|Ceklin|Celaskon|Celin|Cell C|Cemagyl|Cemill|Cenetone|Cenolate|Cereon|Cergona|Cescorbat|Cetamid|Cetane|Cetane-Caps TC|Cetane-caps TD|Cetebe|Cetemican|Cevalin|Cevatine|Cevex|Cevi-bid|Cevimin|Cevital|Cevitamate|Cevitamic acid|Cevitamin|Cevitan|Cevitex|Cewin|Chewcee|Ciamin|Cipca|Citriscorb|Ci|1018124-03-2|1129294-89-8|129940-97-2|1428525-25-0|14536-17-5|154170-90-8|1703051-92-6|259133-78-3|30208-61-8|50976-75-5|56172-55-5|56533-05-2|57304-74-2|57606-40-3|623158-95-2|882690-91-7|884381-69-5|885512-24-3|88845-26-5|896436-13-8|89924-69-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020106 https://doi.org/10.22427/NTP-DATA-DTXSID5020106
ARPathway2016 ARPathway2016_1249 L-Ascorbic acid 50-81-7 DTXSID5020106 0.0 AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO L-Ascorbic acid 50-81-7|L-Ascorbic acid|(+)-ascorbate|(+)-Ascorbic acid|(+)-Sodium L-ascorbate|(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one|3-keto-L-Gulofuranolactone|3-Oxo-L-gulofuranolactone|Acide ascorbique|acido ascorbico|Acidum ascorbicum|acidum ascorbinicum|Adenex|Allercorb|Antiscorbic vitamin|Antiscorbutic vitamin|Arco-cee|Ascoltin|Ascor-B.I.D.|Ascorb|Ascorbajen|Ascorbic acid|Ascorbic acid (vitamin C)|ASCORBIC ACID, L-|Ascorbicab|Ascorbicap|Ascorbicin|Ascorbin|ASCORBINSAEURE|Ascorbinsaure|Ascorbutina|Ascorell|Ascorin|Ascorteal|Ascorvit|C-Level|C-Long|C-Quin|C-Span|C-Vimin|Cantan|Cantaxin|Caswell No. 061B|Catavin C|Ce lent|Ce-Mi-Lin|Ce-Vi-Sol|Cebicure|Cebid|Cebion|Cebion, g-lactone|Cebione|Cecon|Cee-caps TD|Cee-vite|Cegiolan|Ceglion|Ceklin|Celaskon|Celin|Cell C|Cemagyl|Cemill|Cenetone|Cenolate|Cereon|Cergona|Cescorbat|Cetamid|Cetane|Cetane-Caps TC|Cetane-caps TD|Cetebe|Cetemican|Cevalin|Cevatine|Cevex|Cevi-bid|Cevimin|Cevital|Cevitamate|Cevitamic acid|Cevitamin|Cevitan|Cevitex|Cewin|Chewcee|Ciamin|Cipca|Citriscorb|Ci|1018124-03-2|1129294-89-8|129940-97-2|1428525-25-0|14536-17-5|154170-90-8|1703051-92-6|259133-78-3|30208-61-8|50976-75-5|56172-55-5|56533-05-2|57304-74-2|57606-40-3|623158-95-2|882690-91-7|884381-69-5|885512-24-3|88845-26-5|896436-13-8|89924-69-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020106 https://doi.org/10.22427/NTP-DATA-DTXSID5020106
ARPathway2016 ARPathway2016_1249 L-Ascorbic acid 50-81-7 DTXSID5020106 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO L-Ascorbic acid 50-81-7|L-Ascorbic acid|(+)-ascorbate|(+)-Ascorbic acid|(+)-Sodium L-ascorbate|(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one|3-keto-L-Gulofuranolactone|3-Oxo-L-gulofuranolactone|Acide ascorbique|acido ascorbico|Acidum ascorbicum|acidum ascorbinicum|Adenex|Allercorb|Antiscorbic vitamin|Antiscorbutic vitamin|Arco-cee|Ascoltin|Ascor-B.I.D.|Ascorb|Ascorbajen|Ascorbic acid|Ascorbic acid (vitamin C)|ASCORBIC ACID, L-|Ascorbicab|Ascorbicap|Ascorbicin|Ascorbin|ASCORBINSAEURE|Ascorbinsaure|Ascorbutina|Ascorell|Ascorin|Ascorteal|Ascorvit|C-Level|C-Long|C-Quin|C-Span|C-Vimin|Cantan|Cantaxin|Caswell No. 061B|Catavin C|Ce lent|Ce-Mi-Lin|Ce-Vi-Sol|Cebicure|Cebid|Cebion|Cebion, g-lactone|Cebione|Cecon|Cee-caps TD|Cee-vite|Cegiolan|Ceglion|Ceklin|Celaskon|Celin|Cell C|Cemagyl|Cemill|Cenetone|Cenolate|Cereon|Cergona|Cescorbat|Cetamid|Cetane|Cetane-Caps TC|Cetane-caps TD|Cetebe|Cetemican|Cevalin|Cevatine|Cevex|Cevi-bid|Cevimin|Cevital|Cevitamate|Cevitamic acid|Cevitamin|Cevitan|Cevitex|Cewin|Chewcee|Ciamin|Cipca|Citriscorb|Ci|1018124-03-2|1129294-89-8|129940-97-2|1428525-25-0|14536-17-5|154170-90-8|1703051-92-6|259133-78-3|30208-61-8|50976-75-5|56172-55-5|56533-05-2|57304-74-2|57606-40-3|623158-95-2|882690-91-7|884381-69-5|885512-24-3|88845-26-5|896436-13-8|89924-69-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020106 https://doi.org/10.22427/NTP-DATA-DTXSID5020106
ERPathway2016 ERPathway2016_876 L-Ascorbic acid 50-81-7 DTXSID5020106 A15 ER Pathway Model, Agonist Model Score 0 Unitless [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO L-Ascorbic acid 50-81-7|L-Ascorbic acid|(+)-ascorbate|(+)-Ascorbic acid|(+)-Sodium L-ascorbate|(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one|3-keto-L-Gulofuranolactone|3-Oxo-L-gulofuranolactone|Acide ascorbique|acido ascorbico|Acidum ascorbicum|acidum ascorbinicum|Adenex|Allercorb|Antiscorbic vitamin|Antiscorbutic vitamin|Arco-cee|Ascoltin|Ascor-B.I.D.|Ascorb|Ascorbajen|Ascorbic acid|Ascorbic acid (vitamin C)|ASCORBIC ACID, L-|Ascorbicab|Ascorbicap|Ascorbicin|Ascorbin|ASCORBINSAEURE|Ascorbinsaure|Ascorbutina|Ascorell|Ascorin|Ascorteal|Ascorvit|C-Level|C-Long|C-Quin|C-Span|C-Vimin|Cantan|Cantaxin|Caswell No. 061B|Catavin C|Ce lent|Ce-Mi-Lin|Ce-Vi-Sol|Cebicure|Cebid|Cebion|Cebion, g-lactone|Cebione|Cecon|Cee-caps TD|Cee-vite|Cegiolan|Ceglion|Ceklin|Celaskon|Celin|Cell C|Cemagyl|Cemill|Cenetone|Cenolate|Cereon|Cergona|Cescorbat|Cetamid|Cetane|Cetane-Caps TC|Cetane-caps TD|Cetebe|Cetemican|Cevalin|Cevatine|Cevex|Cevi-bid|Cevimin|Cevital|Cevitamate|Cevitamic acid|Cevitamin|Cevitan|Cevitex|Cewin|Chewcee|Ciamin|Cipca|Citriscorb|Ci|1018124-03-2|1129294-89-8|129940-97-2|1428525-25-0|14536-17-5|154170-90-8|1703051-92-6|259133-78-3|30208-61-8|50976-75-5|56172-55-5|56533-05-2|57304-74-2|57606-40-3|623158-95-2|882690-91-7|884381-69-5|885512-24-3|88845-26-5|896436-13-8|89924-69-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020106 https://doi.org/10.22427/NTP-DATA-DTXSID5020106
ERPathway2016 ERPathway2016_876 L-Ascorbic acid 50-81-7 DTXSID5020106 A15 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO L-Ascorbic acid 50-81-7|L-Ascorbic acid|(+)-ascorbate|(+)-Ascorbic acid|(+)-Sodium L-ascorbate|(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one|3-keto-L-Gulofuranolactone|3-Oxo-L-gulofuranolactone|Acide ascorbique|acido ascorbico|Acidum ascorbicum|acidum ascorbinicum|Adenex|Allercorb|Antiscorbic vitamin|Antiscorbutic vitamin|Arco-cee|Ascoltin|Ascor-B.I.D.|Ascorb|Ascorbajen|Ascorbic acid|Ascorbic acid (vitamin C)|ASCORBIC ACID, L-|Ascorbicab|Ascorbicap|Ascorbicin|Ascorbin|ASCORBINSAEURE|Ascorbinsaure|Ascorbutina|Ascorell|Ascorin|Ascorteal|Ascorvit|C-Level|C-Long|C-Quin|C-Span|C-Vimin|Cantan|Cantaxin|Caswell No. 061B|Catavin C|Ce lent|Ce-Mi-Lin|Ce-Vi-Sol|Cebicure|Cebid|Cebion|Cebion, g-lactone|Cebione|Cecon|Cee-caps TD|Cee-vite|Cegiolan|Ceglion|Ceklin|Celaskon|Celin|Cell C|Cemagyl|Cemill|Cenetone|Cenolate|Cereon|Cergona|Cescorbat|Cetamid|Cetane|Cetane-Caps TC|Cetane-caps TD|Cetebe|Cetemican|Cevalin|Cevatine|Cevex|Cevi-bid|Cevimin|Cevital|Cevitamate|Cevitamic acid|Cevitamin|Cevitan|Cevitex|Cewin|Chewcee|Ciamin|Cipca|Citriscorb|Ci|1018124-03-2|1129294-89-8|129940-97-2|1428525-25-0|14536-17-5|154170-90-8|1703051-92-6|259133-78-3|30208-61-8|50976-75-5|56172-55-5|56533-05-2|57304-74-2|57606-40-3|623158-95-2|882690-91-7|884381-69-5|885512-24-3|88845-26-5|896436-13-8|89924-69-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020106 https://doi.org/10.22427/NTP-DATA-DTXSID5020106
ERPathway2016 ERPathway2016_876 L-Ascorbic acid 50-81-7 DTXSID5020106 A15 ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO L-Ascorbic acid 50-81-7|L-Ascorbic acid|(+)-ascorbate|(+)-Ascorbic acid|(+)-Sodium L-ascorbate|(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one|3-keto-L-Gulofuranolactone|3-Oxo-L-gulofuranolactone|Acide ascorbique|acido ascorbico|Acidum ascorbicum|acidum ascorbinicum|Adenex|Allercorb|Antiscorbic vitamin|Antiscorbutic vitamin|Arco-cee|Ascoltin|Ascor-B.I.D.|Ascorb|Ascorbajen|Ascorbic acid|Ascorbic acid (vitamin C)|ASCORBIC ACID, L-|Ascorbicab|Ascorbicap|Ascorbicin|Ascorbin|ASCORBINSAEURE|Ascorbinsaure|Ascorbutina|Ascorell|Ascorin|Ascorteal|Ascorvit|C-Level|C-Long|C-Quin|C-Span|C-Vimin|Cantan|Cantaxin|Caswell No. 061B|Catavin C|Ce lent|Ce-Mi-Lin|Ce-Vi-Sol|Cebicure|Cebid|Cebion|Cebion, g-lactone|Cebione|Cecon|Cee-caps TD|Cee-vite|Cegiolan|Ceglion|Ceklin|Celaskon|Celin|Cell C|Cemagyl|Cemill|Cenetone|Cenolate|Cereon|Cergona|Cescorbat|Cetamid|Cetane|Cetane-Caps TC|Cetane-caps TD|Cetebe|Cetemican|Cevalin|Cevatine|Cevex|Cevi-bid|Cevimin|Cevital|Cevitamate|Cevitamic acid|Cevitamin|Cevitan|Cevitex|Cewin|Chewcee|Ciamin|Cipca|Citriscorb|Ci|1018124-03-2|1129294-89-8|129940-97-2|1428525-25-0|14536-17-5|154170-90-8|1703051-92-6|259133-78-3|30208-61-8|50976-75-5|56172-55-5|56533-05-2|57304-74-2|57606-40-3|623158-95-2|882690-91-7|884381-69-5|885512-24-3|88845-26-5|896436-13-8|89924-69-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020106 https://doi.org/10.22427/NTP-DATA-DTXSID5020106
ERPathway2016 ERPathway2016_876 L-Ascorbic acid 50-81-7 DTXSID5020106 A15 ER Pathway Model, Antagonist Call Inactive Unitless [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO L-Ascorbic acid 50-81-7|L-Ascorbic acid|(+)-ascorbate|(+)-Ascorbic acid|(+)-Sodium L-ascorbate|(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one|3-keto-L-Gulofuranolactone|3-Oxo-L-gulofuranolactone|Acide ascorbique|acido ascorbico|Acidum ascorbicum|acidum ascorbinicum|Adenex|Allercorb|Antiscorbic vitamin|Antiscorbutic vitamin|Arco-cee|Ascoltin|Ascor-B.I.D.|Ascorb|Ascorbajen|Ascorbic acid|Ascorbic acid (vitamin C)|ASCORBIC ACID, L-|Ascorbicab|Ascorbicap|Ascorbicin|Ascorbin|ASCORBINSAEURE|Ascorbinsaure|Ascorbutina|Ascorell|Ascorin|Ascorteal|Ascorvit|C-Level|C-Long|C-Quin|C-Span|C-Vimin|Cantan|Cantaxin|Caswell No. 061B|Catavin C|Ce lent|Ce-Mi-Lin|Ce-Vi-Sol|Cebicure|Cebid|Cebion|Cebion, g-lactone|Cebione|Cecon|Cee-caps TD|Cee-vite|Cegiolan|Ceglion|Ceklin|Celaskon|Celin|Cell C|Cemagyl|Cemill|Cenetone|Cenolate|Cereon|Cergona|Cescorbat|Cetamid|Cetane|Cetane-Caps TC|Cetane-caps TD|Cetebe|Cetemican|Cevalin|Cevatine|Cevex|Cevi-bid|Cevimin|Cevital|Cevitamate|Cevitamic acid|Cevitamin|Cevitan|Cevitex|Cewin|Chewcee|Ciamin|Cipca|Citriscorb|Ci|1018124-03-2|1129294-89-8|129940-97-2|1428525-25-0|14536-17-5|154170-90-8|1703051-92-6|259133-78-3|30208-61-8|50976-75-5|56172-55-5|56533-05-2|57304-74-2|57606-40-3|623158-95-2|882690-91-7|884381-69-5|885512-24-3|88845-26-5|896436-13-8|89924-69-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020106 https://doi.org/10.22427/NTP-DATA-DTXSID5020106
ARPathway2016 ARPathway2016_227 Laurocapram 59227-89-3 DTXSID0042086 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 43.6456734867214 uM CCCCCCCCCCCCN1CCCCCC1=O Laurocapram 59227-89-3|Laurocapram|1-Dodecylazacycloheptan-2-one|1-Dodecylhexahydro-2H-azepin-2-one|2H-Azepin-2-one, 1-dodecylhexahydro-|4-21-00-03206|BRN 0167211|Caswell No. 064A|EINECS 261-668-9|Laurocapramum|N-Dodecylcaprolactam|N-Lauryl caprolactam|Tranzone|UNII-1F3X9DRV9X https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042086
ARPathway2016 ARPathway2016_227 Laurocapram 59227-89-3 DTXSID0042086 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 41.5003288287373 uM CCCCCCCCCCCCN1CCCCCC1=O Laurocapram 59227-89-3|Laurocapram|1-Dodecylazacycloheptan-2-one|1-Dodecylhexahydro-2H-azepin-2-one|2H-Azepin-2-one, 1-dodecylhexahydro-|4-21-00-03206|BRN 0167211|Caswell No. 064A|EINECS 261-668-9|Laurocapramum|N-Dodecylcaprolactam|N-Lauryl caprolactam|Tranzone|UNII-1F3X9DRV9X https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042086
ARPathway2016 ARPathway2016_227 Laurocapram 59227-89-3 DTXSID0042086 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.109 Unitless CCCCCCCCCCCCN1CCCCCC1=O Laurocapram 59227-89-3|Laurocapram|1-Dodecylazacycloheptan-2-one|1-Dodecylhexahydro-2H-azepin-2-one|2H-Azepin-2-one, 1-dodecylhexahydro-|4-21-00-03206|BRN 0167211|Caswell No. 064A|EINECS 261-668-9|Laurocapramum|N-Dodecylcaprolactam|N-Lauryl caprolactam|Tranzone|UNII-1F3X9DRV9X https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042086
ARPathway2016 ARPathway2016_227 Laurocapram 59227-89-3 DTXSID0042086 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCN1CCCCCC1=O Laurocapram 59227-89-3|Laurocapram|1-Dodecylazacycloheptan-2-one|1-Dodecylhexahydro-2H-azepin-2-one|2H-Azepin-2-one, 1-dodecylhexahydro-|4-21-00-03206|BRN 0167211|Caswell No. 064A|EINECS 261-668-9|Laurocapramum|N-Dodecylcaprolactam|N-Lauryl caprolactam|Tranzone|UNII-1F3X9DRV9X https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042086
ARPathway2016 ARPathway2016_227 Laurocapram 59227-89-3 DTXSID0042086 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCCCCCCCCCN1CCCCCC1=O Laurocapram 59227-89-3|Laurocapram|1-Dodecylazacycloheptan-2-one|1-Dodecylhexahydro-2H-azepin-2-one|2H-Azepin-2-one, 1-dodecylhexahydro-|4-21-00-03206|BRN 0167211|Caswell No. 064A|EINECS 261-668-9|Laurocapramum|N-Dodecylcaprolactam|N-Lauryl caprolactam|Tranzone|UNII-1F3X9DRV9X https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042086
ARPathway2016 ARPathway2016_227 Laurocapram 59227-89-3 DTXSID0042086 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCN1CCCCCC1=O Laurocapram 59227-89-3|Laurocapram|1-Dodecylazacycloheptan-2-one|1-Dodecylhexahydro-2H-azepin-2-one|2H-Azepin-2-one, 1-dodecylhexahydro-|4-21-00-03206|BRN 0167211|Caswell No. 064A|EINECS 261-668-9|Laurocapramum|N-Dodecylcaprolactam|N-Lauryl caprolactam|Tranzone|UNII-1F3X9DRV9X https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042086
ERPathway2016 ERPathway2016_1564 Laurocapram 59227-89-3 DTXSID0042086 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCN1CCCCCC1=O Laurocapram 59227-89-3|Laurocapram|1-Dodecylazacycloheptan-2-one|1-Dodecylhexahydro-2H-azepin-2-one|2H-Azepin-2-one, 1-dodecylhexahydro-|4-21-00-03206|BRN 0167211|Caswell No. 064A|EINECS 261-668-9|Laurocapramum|N-Dodecylcaprolactam|N-Lauryl caprolactam|Tranzone|UNII-1F3X9DRV9X https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042086
ERPathway2016 ERPathway2016_1564 Laurocapram 59227-89-3 DTXSID0042086 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCN1CCCCCC1=O Laurocapram 59227-89-3|Laurocapram|1-Dodecylazacycloheptan-2-one|1-Dodecylhexahydro-2H-azepin-2-one|2H-Azepin-2-one, 1-dodecylhexahydro-|4-21-00-03206|BRN 0167211|Caswell No. 064A|EINECS 261-668-9|Laurocapramum|N-Dodecylcaprolactam|N-Lauryl caprolactam|Tranzone|UNII-1F3X9DRV9X https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042086
ERPathway2016 ERPathway2016_1564 Laurocapram 59227-89-3 DTXSID0042086 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCN1CCCCCC1=O Laurocapram 59227-89-3|Laurocapram|1-Dodecylazacycloheptan-2-one|1-Dodecylhexahydro-2H-azepin-2-one|2H-Azepin-2-one, 1-dodecylhexahydro-|4-21-00-03206|BRN 0167211|Caswell No. 064A|EINECS 261-668-9|Laurocapramum|N-Dodecylcaprolactam|N-Lauryl caprolactam|Tranzone|UNII-1F3X9DRV9X https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042086
ERPathway2016 ERPathway2016_1564 Laurocapram 59227-89-3 DTXSID0042086 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCN1CCCCCC1=O Laurocapram 59227-89-3|Laurocapram|1-Dodecylazacycloheptan-2-one|1-Dodecylhexahydro-2H-azepin-2-one|2H-Azepin-2-one, 1-dodecylhexahydro-|4-21-00-03206|BRN 0167211|Caswell No. 064A|EINECS 261-668-9|Laurocapramum|N-Dodecylcaprolactam|N-Lauryl caprolactam|Tranzone|UNII-1F3X9DRV9X https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042086
ARPathway2016 ARPathway2016_27 Lauryl gallate 1166-52-5 DTXSID0048189 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 30.8447321448957 uM CCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Lauryl gallate 1166-52-5|Lauryl gallate|4-10-00-02006|Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester|BRN 2701981|Dodecyl gallate|Dodecylester kyseliny gallove|EINECS 214-620-6|Gallic acid, dodecyl ester|Gallic acid, lauryl ester|Lauryl 3,4,5-trihydroxybenzoate|Nipagallin LA|NSC 133463|Progallin LA|UNII-45612DY463|149030-04-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048189
ARPathway2016 ARPathway2016_27 Lauryl gallate 1166-52-5 DTXSID0048189 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 23.5273699154343 uM CCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Lauryl gallate 1166-52-5|Lauryl gallate|4-10-00-02006|Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester|BRN 2701981|Dodecyl gallate|Dodecylester kyseliny gallove|EINECS 214-620-6|Gallic acid, dodecyl ester|Gallic acid, lauryl ester|Lauryl 3,4,5-trihydroxybenzoate|Nipagallin LA|NSC 133463|Progallin LA|UNII-45612DY463|149030-04-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048189
ARPathway2016 ARPathway2016_27 Lauryl gallate 1166-52-5 DTXSID0048189 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.177 Unitless CCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Lauryl gallate 1166-52-5|Lauryl gallate|4-10-00-02006|Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester|BRN 2701981|Dodecyl gallate|Dodecylester kyseliny gallove|EINECS 214-620-6|Gallic acid, dodecyl ester|Gallic acid, lauryl ester|Lauryl 3,4,5-trihydroxybenzoate|Nipagallin LA|NSC 133463|Progallin LA|UNII-45612DY463|149030-04-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048189
ARPathway2016 ARPathway2016_27 Lauryl gallate 1166-52-5 DTXSID0048189 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Lauryl gallate 1166-52-5|Lauryl gallate|4-10-00-02006|Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester|BRN 2701981|Dodecyl gallate|Dodecylester kyseliny gallove|EINECS 214-620-6|Gallic acid, dodecyl ester|Gallic acid, lauryl ester|Lauryl 3,4,5-trihydroxybenzoate|Nipagallin LA|NSC 133463|Progallin LA|UNII-45612DY463|149030-04-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048189
ARPathway2016 ARPathway2016_27 Lauryl gallate 1166-52-5 DTXSID0048189 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Lauryl gallate 1166-52-5|Lauryl gallate|4-10-00-02006|Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester|BRN 2701981|Dodecyl gallate|Dodecylester kyseliny gallove|EINECS 214-620-6|Gallic acid, dodecyl ester|Gallic acid, lauryl ester|Lauryl 3,4,5-trihydroxybenzoate|Nipagallin LA|NSC 133463|Progallin LA|UNII-45612DY463|149030-04-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048189
ARPathway2016 ARPathway2016_27 Lauryl gallate 1166-52-5 DTXSID0048189 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Lauryl gallate 1166-52-5|Lauryl gallate|4-10-00-02006|Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester|BRN 2701981|Dodecyl gallate|Dodecylester kyseliny gallove|EINECS 214-620-6|Gallic acid, dodecyl ester|Gallic acid, lauryl ester|Lauryl 3,4,5-trihydroxybenzoate|Nipagallin LA|NSC 133463|Progallin LA|UNII-45612DY463|149030-04-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048189
ERPathway2016 ERPathway2016_72 Lauryl gallate 1166-52-5 DTXSID0048189 ER Pathway Model, Agonist AC50 15.4568866128783 uM CCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Lauryl gallate 1166-52-5|Lauryl gallate|4-10-00-02006|Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester|BRN 2701981|Dodecyl gallate|Dodecylester kyseliny gallove|EINECS 214-620-6|Gallic acid, dodecyl ester|Gallic acid, lauryl ester|Lauryl 3,4,5-trihydroxybenzoate|Nipagallin LA|NSC 133463|Progallin LA|UNII-45612DY463|149030-04-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048189
ERPathway2016 ERPathway2016_72 Lauryl gallate 1166-52-5 DTXSID0048189 ER Pathway Model, Agonist ACC 10.1116775674295 uM CCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Lauryl gallate 1166-52-5|Lauryl gallate|4-10-00-02006|Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester|BRN 2701981|Dodecyl gallate|Dodecylester kyseliny gallove|EINECS 214-620-6|Gallic acid, dodecyl ester|Gallic acid, lauryl ester|Lauryl 3,4,5-trihydroxybenzoate|Nipagallin LA|NSC 133463|Progallin LA|UNII-45612DY463|149030-04-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048189
ERPathway2016 ERPathway2016_72 Lauryl gallate 1166-52-5 DTXSID0048189 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Lauryl gallate 1166-52-5|Lauryl gallate|4-10-00-02006|Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester|BRN 2701981|Dodecyl gallate|Dodecylester kyseliny gallove|EINECS 214-620-6|Gallic acid, dodecyl ester|Gallic acid, lauryl ester|Lauryl 3,4,5-trihydroxybenzoate|Nipagallin LA|NSC 133463|Progallin LA|UNII-45612DY463|149030-04-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048189
ERPathway2016 ERPathway2016_72 Lauryl gallate 1166-52-5 DTXSID0048189 ER Pathway Model, Antagonist Model Score 0.0773 Unitless CCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Lauryl gallate 1166-52-5|Lauryl gallate|4-10-00-02006|Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester|BRN 2701981|Dodecyl gallate|Dodecylester kyseliny gallove|EINECS 214-620-6|Gallic acid, dodecyl ester|Gallic acid, lauryl ester|Lauryl 3,4,5-trihydroxybenzoate|Nipagallin LA|NSC 133463|Progallin LA|UNII-45612DY463|149030-04-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048189
ERPathway2016 ERPathway2016_72 Lauryl gallate 1166-52-5 DTXSID0048189 ER Pathway Model, Agonist Call Active Unitless CCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Lauryl gallate 1166-52-5|Lauryl gallate|4-10-00-02006|Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester|BRN 2701981|Dodecyl gallate|Dodecylester kyseliny gallove|EINECS 214-620-6|Gallic acid, dodecyl ester|Gallic acid, lauryl ester|Lauryl 3,4,5-trihydroxybenzoate|Nipagallin LA|NSC 133463|Progallin LA|UNII-45612DY463|149030-04-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048189
ERPathway2016 ERPathway2016_72 Lauryl gallate 1166-52-5 DTXSID0048189 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Lauryl gallate 1166-52-5|Lauryl gallate|4-10-00-02006|Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester|BRN 2701981|Dodecyl gallate|Dodecylester kyseliny gallove|EINECS 214-620-6|Gallic acid, dodecyl ester|Gallic acid, lauryl ester|Lauryl 3,4,5-trihydroxybenzoate|Nipagallin LA|NSC 133463|Progallin LA|UNII-45612DY463|149030-04-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048189
ARPathway2016 ARPathway2016_1016 Levomenol 23089-26-1 DTXSID4042094 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCC[C@](C)(O)[C@H]1CCC(C)=CC1 Levomenol 23089-26-1|Levomenol|(-)-alpha-Bisabolol|1-alpha-Bisabolol|alpha-Bisabolol, l-|EINECS 245-423-3|Kamilosan|Levomenolum|UNII-24WE03BX2T|101467-45-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042094
ARPathway2016 ARPathway2016_1016 Levomenol 23089-26-1 DTXSID4042094 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCC[C@](C)(O)[C@H]1CCC(C)=CC1 Levomenol 23089-26-1|Levomenol|(-)-alpha-Bisabolol|1-alpha-Bisabolol|alpha-Bisabolol, l-|EINECS 245-423-3|Kamilosan|Levomenolum|UNII-24WE03BX2T|101467-45-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042094
ARPathway2016 ARPathway2016_1016 Levomenol 23089-26-1 DTXSID4042094 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)=CCC[C@](C)(O)[C@H]1CCC(C)=CC1 Levomenol 23089-26-1|Levomenol|(-)-alpha-Bisabolol|1-alpha-Bisabolol|alpha-Bisabolol, l-|EINECS 245-423-3|Kamilosan|Levomenolum|UNII-24WE03BX2T|101467-45-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042094
ARPathway2016 ARPathway2016_1016 Levomenol 23089-26-1 DTXSID4042094 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCC[C@](C)(O)[C@H]1CCC(C)=CC1 Levomenol 23089-26-1|Levomenol|(-)-alpha-Bisabolol|1-alpha-Bisabolol|alpha-Bisabolol, l-|EINECS 245-423-3|Kamilosan|Levomenolum|UNII-24WE03BX2T|101467-45-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042094
ERPathway2016 ERPathway2016_770 Levomenol 23089-26-1 DTXSID4042094 A12 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCC[C@](C)(O)[C@H]1CCC(C)=CC1 Levomenol 23089-26-1|Levomenol|(-)-alpha-Bisabolol|1-alpha-Bisabolol|alpha-Bisabolol, l-|EINECS 245-423-3|Kamilosan|Levomenolum|UNII-24WE03BX2T|101467-45-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042094
ERPathway2016 ERPathway2016_770 Levomenol 23089-26-1 DTXSID4042094 A12 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCC[C@](C)(O)[C@H]1CCC(C)=CC1 Levomenol 23089-26-1|Levomenol|(-)-alpha-Bisabolol|1-alpha-Bisabolol|alpha-Bisabolol, l-|EINECS 245-423-3|Kamilosan|Levomenolum|UNII-24WE03BX2T|101467-45-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042094
ERPathway2016 ERPathway2016_770 Levomenol 23089-26-1 DTXSID4042094 A12 ER Pathway Model, Agonist Call Inactive Unitless CC(C)=CCC[C@](C)(O)[C@H]1CCC(C)=CC1 Levomenol 23089-26-1|Levomenol|(-)-alpha-Bisabolol|1-alpha-Bisabolol|alpha-Bisabolol, l-|EINECS 245-423-3|Kamilosan|Levomenolum|UNII-24WE03BX2T|101467-45-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042094
ERPathway2016 ERPathway2016_770 Levomenol 23089-26-1 DTXSID4042094 A12 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCC[C@](C)(O)[C@H]1CCC(C)=CC1 Levomenol 23089-26-1|Levomenol|(-)-alpha-Bisabolol|1-alpha-Bisabolol|alpha-Bisabolol, l-|EINECS 245-423-3|Kamilosan|Levomenolum|UNII-24WE03BX2T|101467-45-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042094
ARPathway2016 ARPathway2016_386 Levonorgestrel 797-63-7 DTXSID3036496 1.0 Agonist AR Pathway Model, Antagonist ACC 0.00111173491003566 uM [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Levonorgestrel 797-63-7|Levonorgestrel|(-)-13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|(-)-Norgestrel|(17a)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one|13-beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13-Ehyl-17alpha-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17-alpha-ethynyl-17-beta-hydroxy-4-gonen-3-one|13-Ethyl-17-alpha-ethynylgon-4-en-17-beta-ol-3-one|13-Ethyl-17-ethynyl-17b-hydroxy-4-gonen-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17a-pregn-4-en-20-yn-3-one|13-Ethyl-17alpha-ethynylgon-4-en-17beta-ol-3-one|13-Ethyl-17a-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17a-ethynylgon-4-en-17b-ol-3-one|13beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13b-Ethyl-17a-ethynyl-17b-hydroxygon-4-en-3-one|17-alpha-Ethinyl-13-beta-ethyl-17-beta-hydroxy-4-estren-3-one|17-alpha-Ethynyl-13-ethyl-19-nortestosterone|17-beta-Hydroxy-18-methyl-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Ethynyl-18-methyl-19-nortestosterone|17alpha-Ethynyl-13-ethyl-19-nortest|1050679-25-8|121714-72-5|4222-79-1|797-62-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036496
ARPathway2016 ARPathway2016_386 Levonorgestrel 797-63-7 DTXSID3036496 1.0 Agonist AR Pathway Model, Antagonist AC50 0.00342656472537262 uM [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Levonorgestrel 797-63-7|Levonorgestrel|(-)-13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|(-)-Norgestrel|(17a)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one|13-beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13-Ehyl-17alpha-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17-alpha-ethynyl-17-beta-hydroxy-4-gonen-3-one|13-Ethyl-17-alpha-ethynylgon-4-en-17-beta-ol-3-one|13-Ethyl-17-ethynyl-17b-hydroxy-4-gonen-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17a-pregn-4-en-20-yn-3-one|13-Ethyl-17alpha-ethynylgon-4-en-17beta-ol-3-one|13-Ethyl-17a-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17a-ethynylgon-4-en-17b-ol-3-one|13beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13b-Ethyl-17a-ethynyl-17b-hydroxygon-4-en-3-one|17-alpha-Ethinyl-13-beta-ethyl-17-beta-hydroxy-4-estren-3-one|17-alpha-Ethynyl-13-ethyl-19-nortestosterone|17-beta-Hydroxy-18-methyl-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Ethynyl-18-methyl-19-nortestosterone|17alpha-Ethynyl-13-ethyl-19-nortest|1050679-25-8|121714-72-5|4222-79-1|797-62-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036496
ARPathway2016 ARPathway2016_386 Levonorgestrel 797-63-7 DTXSID3036496 1.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Levonorgestrel 797-63-7|Levonorgestrel|(-)-13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|(-)-Norgestrel|(17a)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one|13-beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13-Ehyl-17alpha-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17-alpha-ethynyl-17-beta-hydroxy-4-gonen-3-one|13-Ethyl-17-alpha-ethynylgon-4-en-17-beta-ol-3-one|13-Ethyl-17-ethynyl-17b-hydroxy-4-gonen-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17a-pregn-4-en-20-yn-3-one|13-Ethyl-17alpha-ethynylgon-4-en-17beta-ol-3-one|13-Ethyl-17a-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17a-ethynylgon-4-en-17b-ol-3-one|13beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13b-Ethyl-17a-ethynyl-17b-hydroxygon-4-en-3-one|17-alpha-Ethinyl-13-beta-ethyl-17-beta-hydroxy-4-estren-3-one|17-alpha-Ethynyl-13-ethyl-19-nortestosterone|17-beta-Hydroxy-18-methyl-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Ethynyl-18-methyl-19-nortestosterone|17alpha-Ethynyl-13-ethyl-19-nortest|1050679-25-8|121714-72-5|4222-79-1|797-62-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036496
ARPathway2016 ARPathway2016_386 Levonorgestrel 797-63-7 DTXSID3036496 1.0 Agonist AR Pathway Model, Agonist Model Score 1.48 Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Levonorgestrel 797-63-7|Levonorgestrel|(-)-13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|(-)-Norgestrel|(17a)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one|13-beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13-Ehyl-17alpha-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17-alpha-ethynyl-17-beta-hydroxy-4-gonen-3-one|13-Ethyl-17-alpha-ethynylgon-4-en-17-beta-ol-3-one|13-Ethyl-17-ethynyl-17b-hydroxy-4-gonen-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17a-pregn-4-en-20-yn-3-one|13-Ethyl-17alpha-ethynylgon-4-en-17beta-ol-3-one|13-Ethyl-17a-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17a-ethynylgon-4-en-17b-ol-3-one|13beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13b-Ethyl-17a-ethynyl-17b-hydroxygon-4-en-3-one|17-alpha-Ethinyl-13-beta-ethyl-17-beta-hydroxy-4-estren-3-one|17-alpha-Ethynyl-13-ethyl-19-nortestosterone|17-beta-Hydroxy-18-methyl-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Ethynyl-18-methyl-19-nortestosterone|17alpha-Ethynyl-13-ethyl-19-nortest|1050679-25-8|121714-72-5|4222-79-1|797-62-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036496
ARPathway2016 ARPathway2016_386 Levonorgestrel 797-63-7 DTXSID3036496 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Levonorgestrel 797-63-7|Levonorgestrel|(-)-13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|(-)-Norgestrel|(17a)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one|13-beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13-Ehyl-17alpha-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17-alpha-ethynyl-17-beta-hydroxy-4-gonen-3-one|13-Ethyl-17-alpha-ethynylgon-4-en-17-beta-ol-3-one|13-Ethyl-17-ethynyl-17b-hydroxy-4-gonen-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17a-pregn-4-en-20-yn-3-one|13-Ethyl-17alpha-ethynylgon-4-en-17beta-ol-3-one|13-Ethyl-17a-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17a-ethynylgon-4-en-17b-ol-3-one|13beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13b-Ethyl-17a-ethynyl-17b-hydroxygon-4-en-3-one|17-alpha-Ethinyl-13-beta-ethyl-17-beta-hydroxy-4-estren-3-one|17-alpha-Ethynyl-13-ethyl-19-nortestosterone|17-beta-Hydroxy-18-methyl-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Ethynyl-18-methyl-19-nortestosterone|17alpha-Ethynyl-13-ethyl-19-nortest|1050679-25-8|121714-72-5|4222-79-1|797-62-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036496
ARPathway2016 ARPathway2016_386 Levonorgestrel 797-63-7 DTXSID3036496 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Levonorgestrel 797-63-7|Levonorgestrel|(-)-13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|(-)-Norgestrel|(17a)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one|13-beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13-Ehyl-17alpha-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17-alpha-ethynyl-17-beta-hydroxy-4-gonen-3-one|13-Ethyl-17-alpha-ethynylgon-4-en-17-beta-ol-3-one|13-Ethyl-17-ethynyl-17b-hydroxy-4-gonen-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17a-pregn-4-en-20-yn-3-one|13-Ethyl-17alpha-ethynylgon-4-en-17beta-ol-3-one|13-Ethyl-17a-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17a-ethynylgon-4-en-17b-ol-3-one|13beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13b-Ethyl-17a-ethynyl-17b-hydroxygon-4-en-3-one|17-alpha-Ethinyl-13-beta-ethyl-17-beta-hydroxy-4-estren-3-one|17-alpha-Ethynyl-13-ethyl-19-nortestosterone|17-beta-Hydroxy-18-methyl-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Ethynyl-18-methyl-19-nortestosterone|17alpha-Ethynyl-13-ethyl-19-nortest|1050679-25-8|121714-72-5|4222-79-1|797-62-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036496
ERPathway2016 ERPathway2016_168 Levonorgestrel 797-63-7 DTXSID3036496 Agonist ER Pathway Model, Antagonist AC50 0.442235073445992 uM [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Levonorgestrel 797-63-7|Levonorgestrel|(-)-13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|(-)-Norgestrel|(17a)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one|13-beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13-Ehyl-17alpha-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17-alpha-ethynyl-17-beta-hydroxy-4-gonen-3-one|13-Ethyl-17-alpha-ethynylgon-4-en-17-beta-ol-3-one|13-Ethyl-17-ethynyl-17b-hydroxy-4-gonen-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17a-pregn-4-en-20-yn-3-one|13-Ethyl-17alpha-ethynylgon-4-en-17beta-ol-3-one|13-Ethyl-17a-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17a-ethynylgon-4-en-17b-ol-3-one|13beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13b-Ethyl-17a-ethynyl-17b-hydroxygon-4-en-3-one|17-alpha-Ethinyl-13-beta-ethyl-17-beta-hydroxy-4-estren-3-one|17-alpha-Ethynyl-13-ethyl-19-nortestosterone|17-beta-Hydroxy-18-methyl-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Ethynyl-18-methyl-19-nortestosterone|17alpha-Ethynyl-13-ethyl-19-nortest|1050679-25-8|121714-72-5|4222-79-1|797-62-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036496
ERPathway2016 ERPathway2016_168 Levonorgestrel 797-63-7 DTXSID3036496 Agonist ER Pathway Model, Antagonist ACC 0.643493593808092 uM [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Levonorgestrel 797-63-7|Levonorgestrel|(-)-13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|(-)-Norgestrel|(17a)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one|13-beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13-Ehyl-17alpha-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17-alpha-ethynyl-17-beta-hydroxy-4-gonen-3-one|13-Ethyl-17-alpha-ethynylgon-4-en-17-beta-ol-3-one|13-Ethyl-17-ethynyl-17b-hydroxy-4-gonen-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17a-pregn-4-en-20-yn-3-one|13-Ethyl-17alpha-ethynylgon-4-en-17beta-ol-3-one|13-Ethyl-17a-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17a-ethynylgon-4-en-17b-ol-3-one|13beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13b-Ethyl-17a-ethynyl-17b-hydroxygon-4-en-3-one|17-alpha-Ethinyl-13-beta-ethyl-17-beta-hydroxy-4-estren-3-one|17-alpha-Ethynyl-13-ethyl-19-nortestosterone|17-beta-Hydroxy-18-methyl-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Ethynyl-18-methyl-19-nortestosterone|17alpha-Ethynyl-13-ethyl-19-nortest|1050679-25-8|121714-72-5|4222-79-1|797-62-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036496
ERPathway2016 ERPathway2016_168 Levonorgestrel 797-63-7 DTXSID3036496 Agonist ER Pathway Model, Agonist Model Score 0.394 Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Levonorgestrel 797-63-7|Levonorgestrel|(-)-13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|(-)-Norgestrel|(17a)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one|13-beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13-Ehyl-17alpha-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17-alpha-ethynyl-17-beta-hydroxy-4-gonen-3-one|13-Ethyl-17-alpha-ethynylgon-4-en-17-beta-ol-3-one|13-Ethyl-17-ethynyl-17b-hydroxy-4-gonen-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17a-pregn-4-en-20-yn-3-one|13-Ethyl-17alpha-ethynylgon-4-en-17beta-ol-3-one|13-Ethyl-17a-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17a-ethynylgon-4-en-17b-ol-3-one|13beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13b-Ethyl-17a-ethynyl-17b-hydroxygon-4-en-3-one|17-alpha-Ethinyl-13-beta-ethyl-17-beta-hydroxy-4-estren-3-one|17-alpha-Ethynyl-13-ethyl-19-nortestosterone|17-beta-Hydroxy-18-methyl-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Ethynyl-18-methyl-19-nortestosterone|17alpha-Ethynyl-13-ethyl-19-nortest|1050679-25-8|121714-72-5|4222-79-1|797-62-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036496
ERPathway2016 ERPathway2016_168 Levonorgestrel 797-63-7 DTXSID3036496 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Levonorgestrel 797-63-7|Levonorgestrel|(-)-13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|(-)-Norgestrel|(17a)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one|13-beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13-Ehyl-17alpha-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17-alpha-ethynyl-17-beta-hydroxy-4-gonen-3-one|13-Ethyl-17-alpha-ethynylgon-4-en-17-beta-ol-3-one|13-Ethyl-17-ethynyl-17b-hydroxy-4-gonen-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17a-pregn-4-en-20-yn-3-one|13-Ethyl-17alpha-ethynylgon-4-en-17beta-ol-3-one|13-Ethyl-17a-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17a-ethynylgon-4-en-17b-ol-3-one|13beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13b-Ethyl-17a-ethynyl-17b-hydroxygon-4-en-3-one|17-alpha-Ethinyl-13-beta-ethyl-17-beta-hydroxy-4-estren-3-one|17-alpha-Ethynyl-13-ethyl-19-nortestosterone|17-beta-Hydroxy-18-methyl-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Ethynyl-18-methyl-19-nortestosterone|17alpha-Ethynyl-13-ethyl-19-nortest|1050679-25-8|121714-72-5|4222-79-1|797-62-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036496
ERPathway2016 ERPathway2016_168 Levonorgestrel 797-63-7 DTXSID3036496 Agonist ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Levonorgestrel 797-63-7|Levonorgestrel|(-)-13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|(-)-Norgestrel|(17a)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one|13-beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13-Ehyl-17alpha-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17-alpha-ethynyl-17-beta-hydroxy-4-gonen-3-one|13-Ethyl-17-alpha-ethynylgon-4-en-17-beta-ol-3-one|13-Ethyl-17-ethynyl-17b-hydroxy-4-gonen-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17a-pregn-4-en-20-yn-3-one|13-Ethyl-17alpha-ethynylgon-4-en-17beta-ol-3-one|13-Ethyl-17a-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17a-ethynylgon-4-en-17b-ol-3-one|13beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13b-Ethyl-17a-ethynyl-17b-hydroxygon-4-en-3-one|17-alpha-Ethinyl-13-beta-ethyl-17-beta-hydroxy-4-estren-3-one|17-alpha-Ethynyl-13-ethyl-19-nortestosterone|17-beta-Hydroxy-18-methyl-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Ethynyl-18-methyl-19-nortestosterone|17alpha-Ethynyl-13-ethyl-19-nortest|1050679-25-8|121714-72-5|4222-79-1|797-62-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036496
ERPathway2016 ERPathway2016_168 Levonorgestrel 797-63-7 DTXSID3036496 Agonist ER Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Levonorgestrel 797-63-7|Levonorgestrel|(-)-13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|(-)-Norgestrel|(17a)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one|13-beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13-Ehyl-17alpha-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17-alpha-ethynyl-17-beta-hydroxy-4-gonen-3-one|13-Ethyl-17-alpha-ethynylgon-4-en-17-beta-ol-3-one|13-Ethyl-17-ethynyl-17b-hydroxy-4-gonen-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-4-en-20-yn-3-one|13-Ethyl-17-hydroxy-18,19-dinor-17a-pregn-4-en-20-yn-3-one|13-Ethyl-17alpha-ethynylgon-4-en-17beta-ol-3-one|13-Ethyl-17a-ethynyl-17-hydroxygon-4-en-3-one|13-Ethyl-17a-ethynylgon-4-en-17b-ol-3-one|13beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one|13b-Ethyl-17a-ethynyl-17b-hydroxygon-4-en-3-one|17-alpha-Ethinyl-13-beta-ethyl-17-beta-hydroxy-4-estren-3-one|17-alpha-Ethynyl-13-ethyl-19-nortestosterone|17-beta-Hydroxy-18-methyl-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Ethynyl-18-methyl-19-nortestosterone|17alpha-Ethynyl-13-ethyl-19-nortest|1050679-25-8|121714-72-5|4222-79-1|797-62-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3036496
ARPathway2016 ARPathway2016_1468 L-Glucitol 6706-59-8 DTXSID4042096 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO L-Glucitol 6706-59-8|L-Glucitol|(2R,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol|D-Gulitol|Glucitol, L-|L-Sorbitol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042096
ARPathway2016 ARPathway2016_1468 L-Glucitol 6706-59-8 DTXSID4042096 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO L-Glucitol 6706-59-8|L-Glucitol|(2R,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol|D-Gulitol|Glucitol, L-|L-Sorbitol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042096
ARPathway2016 ARPathway2016_1468 L-Glucitol 6706-59-8 DTXSID4042096 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO L-Glucitol 6706-59-8|L-Glucitol|(2R,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol|D-Gulitol|Glucitol, L-|L-Sorbitol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042096
ARPathway2016 ARPathway2016_1468 L-Glucitol 6706-59-8 DTXSID4042096 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO L-Glucitol 6706-59-8|L-Glucitol|(2R,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol|D-Gulitol|Glucitol, L-|L-Sorbitol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042096
ERPathway2016 ERPathway2016_522 L-Glucitol 6706-59-8 DTXSID4042096 R6 ER Pathway Model, Agonist Model Score 0 Unitless OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO L-Glucitol 6706-59-8|L-Glucitol|(2R,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol|D-Gulitol|Glucitol, L-|L-Sorbitol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042096
ERPathway2016 ERPathway2016_522 L-Glucitol 6706-59-8 DTXSID4042096 R6 ER Pathway Model, Antagonist Model Score 0 Unitless OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO L-Glucitol 6706-59-8|L-Glucitol|(2R,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol|D-Gulitol|Glucitol, L-|L-Sorbitol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042096
ERPathway2016 ERPathway2016_522 L-Glucitol 6706-59-8 DTXSID4042096 R6 ER Pathway Model, Agonist Call Inactive Unitless OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO L-Glucitol 6706-59-8|L-Glucitol|(2R,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol|D-Gulitol|Glucitol, L-|L-Sorbitol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042096
ERPathway2016 ERPathway2016_522 L-Glucitol 6706-59-8 DTXSID4042096 R6 ER Pathway Model, Antagonist Call Inactive Unitless OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO L-Glucitol 6706-59-8|L-Glucitol|(2R,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol|D-Gulitol|Glucitol, L-|L-Sorbitol https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042096
ARPathway2016 ARPathway2016_816 Limonene 138-86-3 DTXSID2029612 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=C)C1CCC(C)=CC1 Limonene 138-86-3|Limonene|(+/-)-(RS)-limonene|(+/-)-1-METHYL-4-(1-METHYLVINYL)CYCLOHEXENE|(+/-)-alpha-Limonene|(+/-)-Dipentene|(+/-)-Limonene|(+/-)-Linonene|(+/-)-a-Limonene|1-Methyl-4-(1-methylethenyl)cyclohexene|1-Methyl-4-(1-methylvinyl)cyclohexene|1-Methyl-4-isopropenyl-1-cyclohexene|1-Methyl-4-isopropenylcyclohexene|1-Methyl-p-isopropenyl-1-cyclohexene|1,8-p-Menthadiene|1,8(9)-p-Menthadiene|4-Isopropenyl-1-methyl-1-cyclohexene|4-Isopropenyl-1-methylcyclohexene|Acintene DP|Acintene DP dipentene|alpha-Limonene|Cajeputen|Cajeputene|Caswell No. 526|Cyclohexene, 1-methyl-4-(1-methyl)ethenyl)-|Cyclohexene, 1-methyl-4-(1-methylethenyl)-|CYCLOHEXENE, 1-METHYL-4-(1-METHYLVINYL)-, (+)-|D,L-LIMONEN|d,l-Limonene|delta-1,8-Terpodiene|Di-p-mentha-1,8-diene|Dipanol|Dipenten|Dipentene|Dipentene (+/-)|Dipentene 200|dipenteno, bruto|DL-4-Isopropenyl-1-methylcyclohexene|dl-Limonene|EINECS 205-341-0|EINECS 231-732-0|EPA Pesticide Chemical Code 079701|Eulimen|Flavor orange|Goldflush II|Inactive limonene|Kautschin|LIMONEN|Mentha-1,8-diene|NSC 21446|N|555-08-8|7705-14-8|8022-90-0|8050-32-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029612
ARPathway2016 ARPathway2016_816 Limonene 138-86-3 DTXSID2029612 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=C)C1CCC(C)=CC1 Limonene 138-86-3|Limonene|(+/-)-(RS)-limonene|(+/-)-1-METHYL-4-(1-METHYLVINYL)CYCLOHEXENE|(+/-)-alpha-Limonene|(+/-)-Dipentene|(+/-)-Limonene|(+/-)-Linonene|(+/-)-a-Limonene|1-Methyl-4-(1-methylethenyl)cyclohexene|1-Methyl-4-(1-methylvinyl)cyclohexene|1-Methyl-4-isopropenyl-1-cyclohexene|1-Methyl-4-isopropenylcyclohexene|1-Methyl-p-isopropenyl-1-cyclohexene|1,8-p-Menthadiene|1,8(9)-p-Menthadiene|4-Isopropenyl-1-methyl-1-cyclohexene|4-Isopropenyl-1-methylcyclohexene|Acintene DP|Acintene DP dipentene|alpha-Limonene|Cajeputen|Cajeputene|Caswell No. 526|Cyclohexene, 1-methyl-4-(1-methyl)ethenyl)-|Cyclohexene, 1-methyl-4-(1-methylethenyl)-|CYCLOHEXENE, 1-METHYL-4-(1-METHYLVINYL)-, (+)-|D,L-LIMONEN|d,l-Limonene|delta-1,8-Terpodiene|Di-p-mentha-1,8-diene|Dipanol|Dipenten|Dipentene|Dipentene (+/-)|Dipentene 200|dipenteno, bruto|DL-4-Isopropenyl-1-methylcyclohexene|dl-Limonene|EINECS 205-341-0|EINECS 231-732-0|EPA Pesticide Chemical Code 079701|Eulimen|Flavor orange|Goldflush II|Inactive limonene|Kautschin|LIMONEN|Mentha-1,8-diene|NSC 21446|N|555-08-8|7705-14-8|8022-90-0|8050-32-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029612
ARPathway2016 ARPathway2016_816 Limonene 138-86-3 DTXSID2029612 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=C)C1CCC(C)=CC1 Limonene 138-86-3|Limonene|(+/-)-(RS)-limonene|(+/-)-1-METHYL-4-(1-METHYLVINYL)CYCLOHEXENE|(+/-)-alpha-Limonene|(+/-)-Dipentene|(+/-)-Limonene|(+/-)-Linonene|(+/-)-a-Limonene|1-Methyl-4-(1-methylethenyl)cyclohexene|1-Methyl-4-(1-methylvinyl)cyclohexene|1-Methyl-4-isopropenyl-1-cyclohexene|1-Methyl-4-isopropenylcyclohexene|1-Methyl-p-isopropenyl-1-cyclohexene|1,8-p-Menthadiene|1,8(9)-p-Menthadiene|4-Isopropenyl-1-methyl-1-cyclohexene|4-Isopropenyl-1-methylcyclohexene|Acintene DP|Acintene DP dipentene|alpha-Limonene|Cajeputen|Cajeputene|Caswell No. 526|Cyclohexene, 1-methyl-4-(1-methyl)ethenyl)-|Cyclohexene, 1-methyl-4-(1-methylethenyl)-|CYCLOHEXENE, 1-METHYL-4-(1-METHYLVINYL)-, (+)-|D,L-LIMONEN|d,l-Limonene|delta-1,8-Terpodiene|Di-p-mentha-1,8-diene|Dipanol|Dipenten|Dipentene|Dipentene (+/-)|Dipentene 200|dipenteno, bruto|DL-4-Isopropenyl-1-methylcyclohexene|dl-Limonene|EINECS 205-341-0|EINECS 231-732-0|EPA Pesticide Chemical Code 079701|Eulimen|Flavor orange|Goldflush II|Inactive limonene|Kautschin|LIMONEN|Mentha-1,8-diene|NSC 21446|N|555-08-8|7705-14-8|8022-90-0|8050-32-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029612
ARPathway2016 ARPathway2016_816 Limonene 138-86-3 DTXSID2029612 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=C)C1CCC(C)=CC1 Limonene 138-86-3|Limonene|(+/-)-(RS)-limonene|(+/-)-1-METHYL-4-(1-METHYLVINYL)CYCLOHEXENE|(+/-)-alpha-Limonene|(+/-)-Dipentene|(+/-)-Limonene|(+/-)-Linonene|(+/-)-a-Limonene|1-Methyl-4-(1-methylethenyl)cyclohexene|1-Methyl-4-(1-methylvinyl)cyclohexene|1-Methyl-4-isopropenyl-1-cyclohexene|1-Methyl-4-isopropenylcyclohexene|1-Methyl-p-isopropenyl-1-cyclohexene|1,8-p-Menthadiene|1,8(9)-p-Menthadiene|4-Isopropenyl-1-methyl-1-cyclohexene|4-Isopropenyl-1-methylcyclohexene|Acintene DP|Acintene DP dipentene|alpha-Limonene|Cajeputen|Cajeputene|Caswell No. 526|Cyclohexene, 1-methyl-4-(1-methyl)ethenyl)-|Cyclohexene, 1-methyl-4-(1-methylethenyl)-|CYCLOHEXENE, 1-METHYL-4-(1-METHYLVINYL)-, (+)-|D,L-LIMONEN|d,l-Limonene|delta-1,8-Terpodiene|Di-p-mentha-1,8-diene|Dipanol|Dipenten|Dipentene|Dipentene (+/-)|Dipentene 200|dipenteno, bruto|DL-4-Isopropenyl-1-methylcyclohexene|dl-Limonene|EINECS 205-341-0|EINECS 231-732-0|EPA Pesticide Chemical Code 079701|Eulimen|Flavor orange|Goldflush II|Inactive limonene|Kautschin|LIMONEN|Mentha-1,8-diene|NSC 21446|N|555-08-8|7705-14-8|8022-90-0|8050-32-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029612
ERPathway2016 ERPathway2016_1289 Limonene 138-86-3 DTXSID2029612 ER Pathway Model, Agonist Model Score 0 Unitless CC(=C)C1CCC(C)=CC1 Limonene 138-86-3|Limonene|(+/-)-(RS)-limonene|(+/-)-1-METHYL-4-(1-METHYLVINYL)CYCLOHEXENE|(+/-)-alpha-Limonene|(+/-)-Dipentene|(+/-)-Limonene|(+/-)-Linonene|(+/-)-a-Limonene|1-Methyl-4-(1-methylethenyl)cyclohexene|1-Methyl-4-(1-methylvinyl)cyclohexene|1-Methyl-4-isopropenyl-1-cyclohexene|1-Methyl-4-isopropenylcyclohexene|1-Methyl-p-isopropenyl-1-cyclohexene|1,8-p-Menthadiene|1,8(9)-p-Menthadiene|4-Isopropenyl-1-methyl-1-cyclohexene|4-Isopropenyl-1-methylcyclohexene|Acintene DP|Acintene DP dipentene|alpha-Limonene|Cajeputen|Cajeputene|Caswell No. 526|Cyclohexene, 1-methyl-4-(1-methyl)ethenyl)-|Cyclohexene, 1-methyl-4-(1-methylethenyl)-|CYCLOHEXENE, 1-METHYL-4-(1-METHYLVINYL)-, (+)-|D,L-LIMONEN|d,l-Limonene|delta-1,8-Terpodiene|Di-p-mentha-1,8-diene|Dipanol|Dipenten|Dipentene|Dipentene (+/-)|Dipentene 200|dipenteno, bruto|DL-4-Isopropenyl-1-methylcyclohexene|dl-Limonene|EINECS 205-341-0|EINECS 231-732-0|EPA Pesticide Chemical Code 079701|Eulimen|Flavor orange|Goldflush II|Inactive limonene|Kautschin|LIMONEN|Mentha-1,8-diene|NSC 21446|N|555-08-8|7705-14-8|8022-90-0|8050-32-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029612
ERPathway2016 ERPathway2016_1289 Limonene 138-86-3 DTXSID2029612 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=C)C1CCC(C)=CC1 Limonene 138-86-3|Limonene|(+/-)-(RS)-limonene|(+/-)-1-METHYL-4-(1-METHYLVINYL)CYCLOHEXENE|(+/-)-alpha-Limonene|(+/-)-Dipentene|(+/-)-Limonene|(+/-)-Linonene|(+/-)-a-Limonene|1-Methyl-4-(1-methylethenyl)cyclohexene|1-Methyl-4-(1-methylvinyl)cyclohexene|1-Methyl-4-isopropenyl-1-cyclohexene|1-Methyl-4-isopropenylcyclohexene|1-Methyl-p-isopropenyl-1-cyclohexene|1,8-p-Menthadiene|1,8(9)-p-Menthadiene|4-Isopropenyl-1-methyl-1-cyclohexene|4-Isopropenyl-1-methylcyclohexene|Acintene DP|Acintene DP dipentene|alpha-Limonene|Cajeputen|Cajeputene|Caswell No. 526|Cyclohexene, 1-methyl-4-(1-methyl)ethenyl)-|Cyclohexene, 1-methyl-4-(1-methylethenyl)-|CYCLOHEXENE, 1-METHYL-4-(1-METHYLVINYL)-, (+)-|D,L-LIMONEN|d,l-Limonene|delta-1,8-Terpodiene|Di-p-mentha-1,8-diene|Dipanol|Dipenten|Dipentene|Dipentene (+/-)|Dipentene 200|dipenteno, bruto|DL-4-Isopropenyl-1-methylcyclohexene|dl-Limonene|EINECS 205-341-0|EINECS 231-732-0|EPA Pesticide Chemical Code 079701|Eulimen|Flavor orange|Goldflush II|Inactive limonene|Kautschin|LIMONEN|Mentha-1,8-diene|NSC 21446|N|555-08-8|7705-14-8|8022-90-0|8050-32-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029612
ERPathway2016 ERPathway2016_1289 Limonene 138-86-3 DTXSID2029612 ER Pathway Model, Agonist Call Inactive Unitless CC(=C)C1CCC(C)=CC1 Limonene 138-86-3|Limonene|(+/-)-(RS)-limonene|(+/-)-1-METHYL-4-(1-METHYLVINYL)CYCLOHEXENE|(+/-)-alpha-Limonene|(+/-)-Dipentene|(+/-)-Limonene|(+/-)-Linonene|(+/-)-a-Limonene|1-Methyl-4-(1-methylethenyl)cyclohexene|1-Methyl-4-(1-methylvinyl)cyclohexene|1-Methyl-4-isopropenyl-1-cyclohexene|1-Methyl-4-isopropenylcyclohexene|1-Methyl-p-isopropenyl-1-cyclohexene|1,8-p-Menthadiene|1,8(9)-p-Menthadiene|4-Isopropenyl-1-methyl-1-cyclohexene|4-Isopropenyl-1-methylcyclohexene|Acintene DP|Acintene DP dipentene|alpha-Limonene|Cajeputen|Cajeputene|Caswell No. 526|Cyclohexene, 1-methyl-4-(1-methyl)ethenyl)-|Cyclohexene, 1-methyl-4-(1-methylethenyl)-|CYCLOHEXENE, 1-METHYL-4-(1-METHYLVINYL)-, (+)-|D,L-LIMONEN|d,l-Limonene|delta-1,8-Terpodiene|Di-p-mentha-1,8-diene|Dipanol|Dipenten|Dipentene|Dipentene (+/-)|Dipentene 200|dipenteno, bruto|DL-4-Isopropenyl-1-methylcyclohexene|dl-Limonene|EINECS 205-341-0|EINECS 231-732-0|EPA Pesticide Chemical Code 079701|Eulimen|Flavor orange|Goldflush II|Inactive limonene|Kautschin|LIMONEN|Mentha-1,8-diene|NSC 21446|N|555-08-8|7705-14-8|8022-90-0|8050-32-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029612
ERPathway2016 ERPathway2016_1289 Limonene 138-86-3 DTXSID2029612 ER Pathway Model, Antagonist Call Inactive Unitless CC(=C)C1CCC(C)=CC1 Limonene 138-86-3|Limonene|(+/-)-(RS)-limonene|(+/-)-1-METHYL-4-(1-METHYLVINYL)CYCLOHEXENE|(+/-)-alpha-Limonene|(+/-)-Dipentene|(+/-)-Limonene|(+/-)-Linonene|(+/-)-a-Limonene|1-Methyl-4-(1-methylethenyl)cyclohexene|1-Methyl-4-(1-methylvinyl)cyclohexene|1-Methyl-4-isopropenyl-1-cyclohexene|1-Methyl-4-isopropenylcyclohexene|1-Methyl-p-isopropenyl-1-cyclohexene|1,8-p-Menthadiene|1,8(9)-p-Menthadiene|4-Isopropenyl-1-methyl-1-cyclohexene|4-Isopropenyl-1-methylcyclohexene|Acintene DP|Acintene DP dipentene|alpha-Limonene|Cajeputen|Cajeputene|Caswell No. 526|Cyclohexene, 1-methyl-4-(1-methyl)ethenyl)-|Cyclohexene, 1-methyl-4-(1-methylethenyl)-|CYCLOHEXENE, 1-METHYL-4-(1-METHYLVINYL)-, (+)-|D,L-LIMONEN|d,l-Limonene|delta-1,8-Terpodiene|Di-p-mentha-1,8-diene|Dipanol|Dipenten|Dipentene|Dipentene (+/-)|Dipentene 200|dipenteno, bruto|DL-4-Isopropenyl-1-methylcyclohexene|dl-Limonene|EINECS 205-341-0|EINECS 231-732-0|EPA Pesticide Chemical Code 079701|Eulimen|Flavor orange|Goldflush II|Inactive limonene|Kautschin|LIMONEN|Mentha-1,8-diene|NSC 21446|N|555-08-8|7705-14-8|8022-90-0|8050-32-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029612
ARPathway2016 ARPathway2016_1577 Linalool 78-70-6 DTXSID7025502 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(C)(O)C=C Linalool 78-70-6|Linalool|(+/-)-Linalool|(1)-3,7-Dimethyl-1,6-octadien-3-ol|0-01-00-00462|1,6-Octadien-3-ol, 3,7-dimethyl-|1,6-octadien-3-ol, 3,7-dimetil -|2-Methyl-1-prenyl-3-buten-2-ol|2,6-Dimethyl-2,7-octadien-6-ol|2,6-Dimethyl-2,7-octadiene-6-ol|2,6-dimethylocta-2,7-dien-6-ol|201-134-4|3,7-Dimethyl-1, 6-octadien-3-ol|3,7-Dimethyl-1,6-octadien-3-ol|3,7-Dimethyl-1,6-octadiene-3-ol|3,7-Dimethyl-3-hydroxy-1,6-octadiene|3,7-Dimethyl-3-ol-1,6-octadiene|3,7-Dimethylocta-1,6-dien-3-ol|Beta Linalool|BRN 1721488|Caswell No. 526A|dl-Linalool|EC No.: 201-134-4|EINECS 201-134-4|FEMA No. 2635|Linalol|linalool|Linalool alcohol|LINALOOL SYNTHETHIC|Linalyl alcohol|Linanool|Linolool|NSC 3789|OCTA-1,6-DIEN-3-OL, 3,7-DIMETHYL-|P.C. Code 128838|PC Code 128838|Phantol|UNII-D81QY6I88E|b-Linalool|11024-20-7|22564-99-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025502 https://doi.org/10.22427/NTP-DATA-DTXSID7025502
ARPathway2016 ARPathway2016_1577 Linalool 78-70-6 DTXSID7025502 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(C)(O)C=C Linalool 78-70-6|Linalool|(+/-)-Linalool|(1)-3,7-Dimethyl-1,6-octadien-3-ol|0-01-00-00462|1,6-Octadien-3-ol, 3,7-dimethyl-|1,6-octadien-3-ol, 3,7-dimetil -|2-Methyl-1-prenyl-3-buten-2-ol|2,6-Dimethyl-2,7-octadien-6-ol|2,6-Dimethyl-2,7-octadiene-6-ol|2,6-dimethylocta-2,7-dien-6-ol|201-134-4|3,7-Dimethyl-1, 6-octadien-3-ol|3,7-Dimethyl-1,6-octadien-3-ol|3,7-Dimethyl-1,6-octadiene-3-ol|3,7-Dimethyl-3-hydroxy-1,6-octadiene|3,7-Dimethyl-3-ol-1,6-octadiene|3,7-Dimethylocta-1,6-dien-3-ol|Beta Linalool|BRN 1721488|Caswell No. 526A|dl-Linalool|EC No.: 201-134-4|EINECS 201-134-4|FEMA No. 2635|Linalol|linalool|Linalool alcohol|LINALOOL SYNTHETHIC|Linalyl alcohol|Linanool|Linolool|NSC 3789|OCTA-1,6-DIEN-3-OL, 3,7-DIMETHYL-|P.C. Code 128838|PC Code 128838|Phantol|UNII-D81QY6I88E|b-Linalool|11024-20-7|22564-99-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025502 https://doi.org/10.22427/NTP-DATA-DTXSID7025502
ARPathway2016 ARPathway2016_1577 Linalool 78-70-6 DTXSID7025502 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(C)(O)C=C Linalool 78-70-6|Linalool|(+/-)-Linalool|(1)-3,7-Dimethyl-1,6-octadien-3-ol|0-01-00-00462|1,6-Octadien-3-ol, 3,7-dimethyl-|1,6-octadien-3-ol, 3,7-dimetil -|2-Methyl-1-prenyl-3-buten-2-ol|2,6-Dimethyl-2,7-octadien-6-ol|2,6-Dimethyl-2,7-octadiene-6-ol|2,6-dimethylocta-2,7-dien-6-ol|201-134-4|3,7-Dimethyl-1, 6-octadien-3-ol|3,7-Dimethyl-1,6-octadien-3-ol|3,7-Dimethyl-1,6-octadiene-3-ol|3,7-Dimethyl-3-hydroxy-1,6-octadiene|3,7-Dimethyl-3-ol-1,6-octadiene|3,7-Dimethylocta-1,6-dien-3-ol|Beta Linalool|BRN 1721488|Caswell No. 526A|dl-Linalool|EC No.: 201-134-4|EINECS 201-134-4|FEMA No. 2635|Linalol|linalool|Linalool alcohol|LINALOOL SYNTHETHIC|Linalyl alcohol|Linanool|Linolool|NSC 3789|OCTA-1,6-DIEN-3-OL, 3,7-DIMETHYL-|P.C. Code 128838|PC Code 128838|Phantol|UNII-D81QY6I88E|b-Linalool|11024-20-7|22564-99-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025502 https://doi.org/10.22427/NTP-DATA-DTXSID7025502
ARPathway2016 ARPathway2016_1577 Linalool 78-70-6 DTXSID7025502 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(C)(O)C=C Linalool 78-70-6|Linalool|(+/-)-Linalool|(1)-3,7-Dimethyl-1,6-octadien-3-ol|0-01-00-00462|1,6-Octadien-3-ol, 3,7-dimethyl-|1,6-octadien-3-ol, 3,7-dimetil -|2-Methyl-1-prenyl-3-buten-2-ol|2,6-Dimethyl-2,7-octadien-6-ol|2,6-Dimethyl-2,7-octadiene-6-ol|2,6-dimethylocta-2,7-dien-6-ol|201-134-4|3,7-Dimethyl-1, 6-octadien-3-ol|3,7-Dimethyl-1,6-octadien-3-ol|3,7-Dimethyl-1,6-octadiene-3-ol|3,7-Dimethyl-3-hydroxy-1,6-octadiene|3,7-Dimethyl-3-ol-1,6-octadiene|3,7-Dimethylocta-1,6-dien-3-ol|Beta Linalool|BRN 1721488|Caswell No. 526A|dl-Linalool|EC No.: 201-134-4|EINECS 201-134-4|FEMA No. 2635|Linalol|linalool|Linalool alcohol|LINALOOL SYNTHETHIC|Linalyl alcohol|Linanool|Linolool|NSC 3789|OCTA-1,6-DIEN-3-OL, 3,7-DIMETHYL-|P.C. Code 128838|PC Code 128838|Phantol|UNII-D81QY6I88E|b-Linalool|11024-20-7|22564-99-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025502 https://doi.org/10.22427/NTP-DATA-DTXSID7025502
ERPathway2016 ERPathway2016_1665 Linalool 78-70-6 DTXSID7025502 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(C)(O)C=C Linalool 78-70-6|Linalool|(+/-)-Linalool|(1)-3,7-Dimethyl-1,6-octadien-3-ol|0-01-00-00462|1,6-Octadien-3-ol, 3,7-dimethyl-|1,6-octadien-3-ol, 3,7-dimetil -|2-Methyl-1-prenyl-3-buten-2-ol|2,6-Dimethyl-2,7-octadien-6-ol|2,6-Dimethyl-2,7-octadiene-6-ol|2,6-dimethylocta-2,7-dien-6-ol|201-134-4|3,7-Dimethyl-1, 6-octadien-3-ol|3,7-Dimethyl-1,6-octadien-3-ol|3,7-Dimethyl-1,6-octadiene-3-ol|3,7-Dimethyl-3-hydroxy-1,6-octadiene|3,7-Dimethyl-3-ol-1,6-octadiene|3,7-Dimethylocta-1,6-dien-3-ol|Beta Linalool|BRN 1721488|Caswell No. 526A|dl-Linalool|EC No.: 201-134-4|EINECS 201-134-4|FEMA No. 2635|Linalol|linalool|Linalool alcohol|LINALOOL SYNTHETHIC|Linalyl alcohol|Linanool|Linolool|NSC 3789|OCTA-1,6-DIEN-3-OL, 3,7-DIMETHYL-|P.C. Code 128838|PC Code 128838|Phantol|UNII-D81QY6I88E|b-Linalool|11024-20-7|22564-99-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025502 https://doi.org/10.22427/NTP-DATA-DTXSID7025502
ERPathway2016 ERPathway2016_1665 Linalool 78-70-6 DTXSID7025502 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(C)(O)C=C Linalool 78-70-6|Linalool|(+/-)-Linalool|(1)-3,7-Dimethyl-1,6-octadien-3-ol|0-01-00-00462|1,6-Octadien-3-ol, 3,7-dimethyl-|1,6-octadien-3-ol, 3,7-dimetil -|2-Methyl-1-prenyl-3-buten-2-ol|2,6-Dimethyl-2,7-octadien-6-ol|2,6-Dimethyl-2,7-octadiene-6-ol|2,6-dimethylocta-2,7-dien-6-ol|201-134-4|3,7-Dimethyl-1, 6-octadien-3-ol|3,7-Dimethyl-1,6-octadien-3-ol|3,7-Dimethyl-1,6-octadiene-3-ol|3,7-Dimethyl-3-hydroxy-1,6-octadiene|3,7-Dimethyl-3-ol-1,6-octadiene|3,7-Dimethylocta-1,6-dien-3-ol|Beta Linalool|BRN 1721488|Caswell No. 526A|dl-Linalool|EC No.: 201-134-4|EINECS 201-134-4|FEMA No. 2635|Linalol|linalool|Linalool alcohol|LINALOOL SYNTHETHIC|Linalyl alcohol|Linanool|Linolool|NSC 3789|OCTA-1,6-DIEN-3-OL, 3,7-DIMETHYL-|P.C. Code 128838|PC Code 128838|Phantol|UNII-D81QY6I88E|b-Linalool|11024-20-7|22564-99-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025502 https://doi.org/10.22427/NTP-DATA-DTXSID7025502
ERPathway2016 ERPathway2016_1665 Linalool 78-70-6 DTXSID7025502 ER Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(C)(O)C=C Linalool 78-70-6|Linalool|(+/-)-Linalool|(1)-3,7-Dimethyl-1,6-octadien-3-ol|0-01-00-00462|1,6-Octadien-3-ol, 3,7-dimethyl-|1,6-octadien-3-ol, 3,7-dimetil -|2-Methyl-1-prenyl-3-buten-2-ol|2,6-Dimethyl-2,7-octadien-6-ol|2,6-Dimethyl-2,7-octadiene-6-ol|2,6-dimethylocta-2,7-dien-6-ol|201-134-4|3,7-Dimethyl-1, 6-octadien-3-ol|3,7-Dimethyl-1,6-octadien-3-ol|3,7-Dimethyl-1,6-octadiene-3-ol|3,7-Dimethyl-3-hydroxy-1,6-octadiene|3,7-Dimethyl-3-ol-1,6-octadiene|3,7-Dimethylocta-1,6-dien-3-ol|Beta Linalool|BRN 1721488|Caswell No. 526A|dl-Linalool|EC No.: 201-134-4|EINECS 201-134-4|FEMA No. 2635|Linalol|linalool|Linalool alcohol|LINALOOL SYNTHETHIC|Linalyl alcohol|Linanool|Linolool|NSC 3789|OCTA-1,6-DIEN-3-OL, 3,7-DIMETHYL-|P.C. Code 128838|PC Code 128838|Phantol|UNII-D81QY6I88E|b-Linalool|11024-20-7|22564-99-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025502 https://doi.org/10.22427/NTP-DATA-DTXSID7025502
ERPathway2016 ERPathway2016_1665 Linalool 78-70-6 DTXSID7025502 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(C)(O)C=C Linalool 78-70-6|Linalool|(+/-)-Linalool|(1)-3,7-Dimethyl-1,6-octadien-3-ol|0-01-00-00462|1,6-Octadien-3-ol, 3,7-dimethyl-|1,6-octadien-3-ol, 3,7-dimetil -|2-Methyl-1-prenyl-3-buten-2-ol|2,6-Dimethyl-2,7-octadien-6-ol|2,6-Dimethyl-2,7-octadiene-6-ol|2,6-dimethylocta-2,7-dien-6-ol|201-134-4|3,7-Dimethyl-1, 6-octadien-3-ol|3,7-Dimethyl-1,6-octadien-3-ol|3,7-Dimethyl-1,6-octadiene-3-ol|3,7-Dimethyl-3-hydroxy-1,6-octadiene|3,7-Dimethyl-3-ol-1,6-octadiene|3,7-Dimethylocta-1,6-dien-3-ol|Beta Linalool|BRN 1721488|Caswell No. 526A|dl-Linalool|EC No.: 201-134-4|EINECS 201-134-4|FEMA No. 2635|Linalol|linalool|Linalool alcohol|LINALOOL SYNTHETHIC|Linalyl alcohol|Linanool|Linolool|NSC 3789|OCTA-1,6-DIEN-3-OL, 3,7-DIMETHYL-|P.C. Code 128838|PC Code 128838|Phantol|UNII-D81QY6I88E|b-Linalool|11024-20-7|22564-99-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025502 https://doi.org/10.22427/NTP-DATA-DTXSID7025502
ARPathway2016 ARPathway2016_629 Linalyl acetate 115-95-7 DTXSID7026946 0.0 A7 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(C)(OC(C)=O)C=C Linalyl acetate 115-95-7|Linalyl acetate|(.+-.)-Linaloyl acetate|(.+-.)-Linalyl acetate|1,5-Dimethyl-1-vinyl-4-hexenyl acetate|1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate|1,6-Octadien-3-ol, 3,7-dimethyl-, acetate|3-Acetoxy-3,7-dimethyl-1,6-octadiene|3,7-Dimethyl-1,6-octadien-3-ol acetate|3,7-Dimethyl-1,6-octadien-3-yl acetate|Acetate de linalyle|ACETATE, 3,7-DIMETHYL-1,6-OCTADIEN-3-YL|acetato de linalilo|Acetic acid linalool ester|Bergamiol|Bergamol|Bergamot mint oil|dl-Linalool acetate|EINECS 204-116-4|EINECS 254-806-4|FEMA No. 2636|Licareol acetate|Linalol acetate|Linalool acetate|Linalylacetat|Lynalyl acetate|NSC 2138|UNII-5K47SSQ51G|16509-66-3|40135-38-4|8022-85-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026946
ARPathway2016 ARPathway2016_629 Linalyl acetate 115-95-7 DTXSID7026946 0.0 A7 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(C)(OC(C)=O)C=C Linalyl acetate 115-95-7|Linalyl acetate|(.+-.)-Linaloyl acetate|(.+-.)-Linalyl acetate|1,5-Dimethyl-1-vinyl-4-hexenyl acetate|1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate|1,6-Octadien-3-ol, 3,7-dimethyl-, acetate|3-Acetoxy-3,7-dimethyl-1,6-octadiene|3,7-Dimethyl-1,6-octadien-3-ol acetate|3,7-Dimethyl-1,6-octadien-3-yl acetate|Acetate de linalyle|ACETATE, 3,7-DIMETHYL-1,6-OCTADIEN-3-YL|acetato de linalilo|Acetic acid linalool ester|Bergamiol|Bergamol|Bergamot mint oil|dl-Linalool acetate|EINECS 204-116-4|EINECS 254-806-4|FEMA No. 2636|Licareol acetate|Linalol acetate|Linalool acetate|Linalylacetat|Lynalyl acetate|NSC 2138|UNII-5K47SSQ51G|16509-66-3|40135-38-4|8022-85-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026946
ARPathway2016 ARPathway2016_629 Linalyl acetate 115-95-7 DTXSID7026946 0.0 A7 AR Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(C)(OC(C)=O)C=C Linalyl acetate 115-95-7|Linalyl acetate|(.+-.)-Linaloyl acetate|(.+-.)-Linalyl acetate|1,5-Dimethyl-1-vinyl-4-hexenyl acetate|1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate|1,6-Octadien-3-ol, 3,7-dimethyl-, acetate|3-Acetoxy-3,7-dimethyl-1,6-octadiene|3,7-Dimethyl-1,6-octadien-3-ol acetate|3,7-Dimethyl-1,6-octadien-3-yl acetate|Acetate de linalyle|ACETATE, 3,7-DIMETHYL-1,6-OCTADIEN-3-YL|acetato de linalilo|Acetic acid linalool ester|Bergamiol|Bergamol|Bergamot mint oil|dl-Linalool acetate|EINECS 204-116-4|EINECS 254-806-4|FEMA No. 2636|Licareol acetate|Linalol acetate|Linalool acetate|Linalylacetat|Lynalyl acetate|NSC 2138|UNII-5K47SSQ51G|16509-66-3|40135-38-4|8022-85-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026946
ARPathway2016 ARPathway2016_629 Linalyl acetate 115-95-7 DTXSID7026946 0.0 A7 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(C)(OC(C)=O)C=C Linalyl acetate 115-95-7|Linalyl acetate|(.+-.)-Linaloyl acetate|(.+-.)-Linalyl acetate|1,5-Dimethyl-1-vinyl-4-hexenyl acetate|1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate|1,6-Octadien-3-ol, 3,7-dimethyl-, acetate|3-Acetoxy-3,7-dimethyl-1,6-octadiene|3,7-Dimethyl-1,6-octadien-3-ol acetate|3,7-Dimethyl-1,6-octadien-3-yl acetate|Acetate de linalyle|ACETATE, 3,7-DIMETHYL-1,6-OCTADIEN-3-YL|acetato de linalilo|Acetic acid linalool ester|Bergamiol|Bergamol|Bergamot mint oil|dl-Linalool acetate|EINECS 204-116-4|EINECS 254-806-4|FEMA No. 2636|Licareol acetate|Linalol acetate|Linalool acetate|Linalylacetat|Lynalyl acetate|NSC 2138|UNII-5K47SSQ51G|16509-66-3|40135-38-4|8022-85-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026946
ERPathway2016 ERPathway2016_698 Linalyl acetate 115-95-7 DTXSID7026946 R3 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(C)(OC(C)=O)C=C Linalyl acetate 115-95-7|Linalyl acetate|(.+-.)-Linaloyl acetate|(.+-.)-Linalyl acetate|1,5-Dimethyl-1-vinyl-4-hexenyl acetate|1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate|1,6-Octadien-3-ol, 3,7-dimethyl-, acetate|3-Acetoxy-3,7-dimethyl-1,6-octadiene|3,7-Dimethyl-1,6-octadien-3-ol acetate|3,7-Dimethyl-1,6-octadien-3-yl acetate|Acetate de linalyle|ACETATE, 3,7-DIMETHYL-1,6-OCTADIEN-3-YL|acetato de linalilo|Acetic acid linalool ester|Bergamiol|Bergamol|Bergamot mint oil|dl-Linalool acetate|EINECS 204-116-4|EINECS 254-806-4|FEMA No. 2636|Licareol acetate|Linalol acetate|Linalool acetate|Linalylacetat|Lynalyl acetate|NSC 2138|UNII-5K47SSQ51G|16509-66-3|40135-38-4|8022-85-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026946
ERPathway2016 ERPathway2016_698 Linalyl acetate 115-95-7 DTXSID7026946 R3 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(C)(OC(C)=O)C=C Linalyl acetate 115-95-7|Linalyl acetate|(.+-.)-Linaloyl acetate|(.+-.)-Linalyl acetate|1,5-Dimethyl-1-vinyl-4-hexenyl acetate|1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate|1,6-Octadien-3-ol, 3,7-dimethyl-, acetate|3-Acetoxy-3,7-dimethyl-1,6-octadiene|3,7-Dimethyl-1,6-octadien-3-ol acetate|3,7-Dimethyl-1,6-octadien-3-yl acetate|Acetate de linalyle|ACETATE, 3,7-DIMETHYL-1,6-OCTADIEN-3-YL|acetato de linalilo|Acetic acid linalool ester|Bergamiol|Bergamol|Bergamot mint oil|dl-Linalool acetate|EINECS 204-116-4|EINECS 254-806-4|FEMA No. 2636|Licareol acetate|Linalol acetate|Linalool acetate|Linalylacetat|Lynalyl acetate|NSC 2138|UNII-5K47SSQ51G|16509-66-3|40135-38-4|8022-85-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026946
ERPathway2016 ERPathway2016_698 Linalyl acetate 115-95-7 DTXSID7026946 R3 ER Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(C)(OC(C)=O)C=C Linalyl acetate 115-95-7|Linalyl acetate|(.+-.)-Linaloyl acetate|(.+-.)-Linalyl acetate|1,5-Dimethyl-1-vinyl-4-hexenyl acetate|1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate|1,6-Octadien-3-ol, 3,7-dimethyl-, acetate|3-Acetoxy-3,7-dimethyl-1,6-octadiene|3,7-Dimethyl-1,6-octadien-3-ol acetate|3,7-Dimethyl-1,6-octadien-3-yl acetate|Acetate de linalyle|ACETATE, 3,7-DIMETHYL-1,6-OCTADIEN-3-YL|acetato de linalilo|Acetic acid linalool ester|Bergamiol|Bergamol|Bergamot mint oil|dl-Linalool acetate|EINECS 204-116-4|EINECS 254-806-4|FEMA No. 2636|Licareol acetate|Linalol acetate|Linalool acetate|Linalylacetat|Lynalyl acetate|NSC 2138|UNII-5K47SSQ51G|16509-66-3|40135-38-4|8022-85-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026946
ERPathway2016 ERPathway2016_698 Linalyl acetate 115-95-7 DTXSID7026946 R3 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(C)(OC(C)=O)C=C Linalyl acetate 115-95-7|Linalyl acetate|(.+-.)-Linaloyl acetate|(.+-.)-Linalyl acetate|1,5-Dimethyl-1-vinyl-4-hexenyl acetate|1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate|1,6-Octadien-3-ol, 3,7-dimethyl-, acetate|3-Acetoxy-3,7-dimethyl-1,6-octadiene|3,7-Dimethyl-1,6-octadien-3-ol acetate|3,7-Dimethyl-1,6-octadien-3-yl acetate|Acetate de linalyle|ACETATE, 3,7-DIMETHYL-1,6-OCTADIEN-3-YL|acetato de linalilo|Acetic acid linalool ester|Bergamiol|Bergamol|Bergamot mint oil|dl-Linalool acetate|EINECS 204-116-4|EINECS 254-806-4|FEMA No. 2636|Licareol acetate|Linalol acetate|Linalool acetate|Linalylacetat|Lynalyl acetate|NSC 2138|UNII-5K47SSQ51G|16509-66-3|40135-38-4|8022-85-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026946
ARPathway2016 ARPathway2016_1369 Lindane 58-89-9 DTXSID2020686 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl Lindane 58-89-9|Lindane|(1a,2a,3b,4a,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|1,2,3,4,5,6-G-HEXACHLOROCYCLOHEXANE|1,2,3,4,5,6-Hexachlorocyclohexane, gamma-isomer|4-05-00-00058|Aalindan|Aficide|Agrocide|Agrocide 6G|Agrocide III|Agrocide WP|Agronexit|Ameisenmittel Merck|Ameisentod|Aparasin|Aphtiria|Aplidal|Arbitex|Arcotal S|Ben-Hex|Benhexol|Benzene hexachloride-gamma isomer|Benzene-1,2,3,4,5,6-hexachloride|Bercema-Spritz-Lindan 50|BRN 1907337|Caswell No. 079|Caswell No. 527|Celanex|Chloresene|Codechine|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta.)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2a,3b,4a,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, gamma-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, g-|Detmol Extract|Devoran|Dol Granule|Drilltox-Spezial Aglukon|EINECS 200-401-2|Entomoxan|EPA Pesticide Chemical Code 009001|Esoderm|Fenoform forte|Forst-Nexen|Gallogama|Gamacarbatox|Gamacid|Gamacide|Gamacide 20|Gamaphex|Gamma benzene hexachloride|gamma-1,2,3,4,5,6-Hexachlorocyclohexane|gamma-|25897-48-7|53529-37-6|55963-79-6|8007-42-9|8073-23-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020686 https://doi.org/10.22427/NTP-DATA-DTXSID2020686
ARPathway2016 ARPathway2016_1369 Lindane 58-89-9 DTXSID2020686 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl Lindane 58-89-9|Lindane|(1a,2a,3b,4a,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|1,2,3,4,5,6-G-HEXACHLOROCYCLOHEXANE|1,2,3,4,5,6-Hexachlorocyclohexane, gamma-isomer|4-05-00-00058|Aalindan|Aficide|Agrocide|Agrocide 6G|Agrocide III|Agrocide WP|Agronexit|Ameisenmittel Merck|Ameisentod|Aparasin|Aphtiria|Aplidal|Arbitex|Arcotal S|Ben-Hex|Benhexol|Benzene hexachloride-gamma isomer|Benzene-1,2,3,4,5,6-hexachloride|Bercema-Spritz-Lindan 50|BRN 1907337|Caswell No. 079|Caswell No. 527|Celanex|Chloresene|Codechine|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta.)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2a,3b,4a,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, gamma-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, g-|Detmol Extract|Devoran|Dol Granule|Drilltox-Spezial Aglukon|EINECS 200-401-2|Entomoxan|EPA Pesticide Chemical Code 009001|Esoderm|Fenoform forte|Forst-Nexen|Gallogama|Gamacarbatox|Gamacid|Gamacide|Gamacide 20|Gamaphex|Gamma benzene hexachloride|gamma-1,2,3,4,5,6-Hexachlorocyclohexane|gamma-|25897-48-7|53529-37-6|55963-79-6|8007-42-9|8073-23-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020686 https://doi.org/10.22427/NTP-DATA-DTXSID2020686
ARPathway2016 ARPathway2016_1369 Lindane 58-89-9 DTXSID2020686 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl Lindane 58-89-9|Lindane|(1a,2a,3b,4a,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|1,2,3,4,5,6-G-HEXACHLOROCYCLOHEXANE|1,2,3,4,5,6-Hexachlorocyclohexane, gamma-isomer|4-05-00-00058|Aalindan|Aficide|Agrocide|Agrocide 6G|Agrocide III|Agrocide WP|Agronexit|Ameisenmittel Merck|Ameisentod|Aparasin|Aphtiria|Aplidal|Arbitex|Arcotal S|Ben-Hex|Benhexol|Benzene hexachloride-gamma isomer|Benzene-1,2,3,4,5,6-hexachloride|Bercema-Spritz-Lindan 50|BRN 1907337|Caswell No. 079|Caswell No. 527|Celanex|Chloresene|Codechine|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta.)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2a,3b,4a,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, gamma-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, g-|Detmol Extract|Devoran|Dol Granule|Drilltox-Spezial Aglukon|EINECS 200-401-2|Entomoxan|EPA Pesticide Chemical Code 009001|Esoderm|Fenoform forte|Forst-Nexen|Gallogama|Gamacarbatox|Gamacid|Gamacide|Gamacide 20|Gamaphex|Gamma benzene hexachloride|gamma-1,2,3,4,5,6-Hexachlorocyclohexane|gamma-|25897-48-7|53529-37-6|55963-79-6|8007-42-9|8073-23-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020686 https://doi.org/10.22427/NTP-DATA-DTXSID2020686
ARPathway2016 ARPathway2016_1369 Lindane 58-89-9 DTXSID2020686 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl Lindane 58-89-9|Lindane|(1a,2a,3b,4a,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|1,2,3,4,5,6-G-HEXACHLOROCYCLOHEXANE|1,2,3,4,5,6-Hexachlorocyclohexane, gamma-isomer|4-05-00-00058|Aalindan|Aficide|Agrocide|Agrocide 6G|Agrocide III|Agrocide WP|Agronexit|Ameisenmittel Merck|Ameisentod|Aparasin|Aphtiria|Aplidal|Arbitex|Arcotal S|Ben-Hex|Benhexol|Benzene hexachloride-gamma isomer|Benzene-1,2,3,4,5,6-hexachloride|Bercema-Spritz-Lindan 50|BRN 1907337|Caswell No. 079|Caswell No. 527|Celanex|Chloresene|Codechine|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta.)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2a,3b,4a,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, gamma-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, g-|Detmol Extract|Devoran|Dol Granule|Drilltox-Spezial Aglukon|EINECS 200-401-2|Entomoxan|EPA Pesticide Chemical Code 009001|Esoderm|Fenoform forte|Forst-Nexen|Gallogama|Gamacarbatox|Gamacid|Gamacide|Gamacide 20|Gamaphex|Gamma benzene hexachloride|gamma-1,2,3,4,5,6-Hexachlorocyclohexane|gamma-|25897-48-7|53529-37-6|55963-79-6|8007-42-9|8073-23-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020686 https://doi.org/10.22427/NTP-DATA-DTXSID2020686
ERPathway2016 ERPathway2016_467 Lindane 58-89-9 DTXSID2020686 R6 ER Pathway Model, Antagonist AC50 38.3601217232313 uM Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl Lindane 58-89-9|Lindane|(1a,2a,3b,4a,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|1,2,3,4,5,6-G-HEXACHLOROCYCLOHEXANE|1,2,3,4,5,6-Hexachlorocyclohexane, gamma-isomer|4-05-00-00058|Aalindan|Aficide|Agrocide|Agrocide 6G|Agrocide III|Agrocide WP|Agronexit|Ameisenmittel Merck|Ameisentod|Aparasin|Aphtiria|Aplidal|Arbitex|Arcotal S|Ben-Hex|Benhexol|Benzene hexachloride-gamma isomer|Benzene-1,2,3,4,5,6-hexachloride|Bercema-Spritz-Lindan 50|BRN 1907337|Caswell No. 079|Caswell No. 527|Celanex|Chloresene|Codechine|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta.)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2a,3b,4a,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, gamma-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, g-|Detmol Extract|Devoran|Dol Granule|Drilltox-Spezial Aglukon|EINECS 200-401-2|Entomoxan|EPA Pesticide Chemical Code 009001|Esoderm|Fenoform forte|Forst-Nexen|Gallogama|Gamacarbatox|Gamacid|Gamacide|Gamacide 20|Gamaphex|Gamma benzene hexachloride|gamma-1,2,3,4,5,6-Hexachlorocyclohexane|gamma-|25897-48-7|53529-37-6|55963-79-6|8007-42-9|8073-23-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020686 https://doi.org/10.22427/NTP-DATA-DTXSID2020686
ERPathway2016 ERPathway2016_467 Lindane 58-89-9 DTXSID2020686 R6 ER Pathway Model, Antagonist ACC 25.2056024638043 uM Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl Lindane 58-89-9|Lindane|(1a,2a,3b,4a,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|1,2,3,4,5,6-G-HEXACHLOROCYCLOHEXANE|1,2,3,4,5,6-Hexachlorocyclohexane, gamma-isomer|4-05-00-00058|Aalindan|Aficide|Agrocide|Agrocide 6G|Agrocide III|Agrocide WP|Agronexit|Ameisenmittel Merck|Ameisentod|Aparasin|Aphtiria|Aplidal|Arbitex|Arcotal S|Ben-Hex|Benhexol|Benzene hexachloride-gamma isomer|Benzene-1,2,3,4,5,6-hexachloride|Bercema-Spritz-Lindan 50|BRN 1907337|Caswell No. 079|Caswell No. 527|Celanex|Chloresene|Codechine|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta.)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2a,3b,4a,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, gamma-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, g-|Detmol Extract|Devoran|Dol Granule|Drilltox-Spezial Aglukon|EINECS 200-401-2|Entomoxan|EPA Pesticide Chemical Code 009001|Esoderm|Fenoform forte|Forst-Nexen|Gallogama|Gamacarbatox|Gamacid|Gamacide|Gamacide 20|Gamaphex|Gamma benzene hexachloride|gamma-1,2,3,4,5,6-Hexachlorocyclohexane|gamma-|25897-48-7|53529-37-6|55963-79-6|8007-42-9|8073-23-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020686 https://doi.org/10.22427/NTP-DATA-DTXSID2020686
ERPathway2016 ERPathway2016_467 Lindane 58-89-9 DTXSID2020686 R6 ER Pathway Model, Agonist Model Score 0.00306 Unitless Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl Lindane 58-89-9|Lindane|(1a,2a,3b,4a,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|1,2,3,4,5,6-G-HEXACHLOROCYCLOHEXANE|1,2,3,4,5,6-Hexachlorocyclohexane, gamma-isomer|4-05-00-00058|Aalindan|Aficide|Agrocide|Agrocide 6G|Agrocide III|Agrocide WP|Agronexit|Ameisenmittel Merck|Ameisentod|Aparasin|Aphtiria|Aplidal|Arbitex|Arcotal S|Ben-Hex|Benhexol|Benzene hexachloride-gamma isomer|Benzene-1,2,3,4,5,6-hexachloride|Bercema-Spritz-Lindan 50|BRN 1907337|Caswell No. 079|Caswell No. 527|Celanex|Chloresene|Codechine|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta.)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2a,3b,4a,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, gamma-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, g-|Detmol Extract|Devoran|Dol Granule|Drilltox-Spezial Aglukon|EINECS 200-401-2|Entomoxan|EPA Pesticide Chemical Code 009001|Esoderm|Fenoform forte|Forst-Nexen|Gallogama|Gamacarbatox|Gamacid|Gamacide|Gamacide 20|Gamaphex|Gamma benzene hexachloride|gamma-1,2,3,4,5,6-Hexachlorocyclohexane|gamma-|25897-48-7|53529-37-6|55963-79-6|8007-42-9|8073-23-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020686 https://doi.org/10.22427/NTP-DATA-DTXSID2020686
ERPathway2016 ERPathway2016_467 Lindane 58-89-9 DTXSID2020686 R6 ER Pathway Model, Antagonist Model Score 0 Unitless Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl Lindane 58-89-9|Lindane|(1a,2a,3b,4a,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|1,2,3,4,5,6-G-HEXACHLOROCYCLOHEXANE|1,2,3,4,5,6-Hexachlorocyclohexane, gamma-isomer|4-05-00-00058|Aalindan|Aficide|Agrocide|Agrocide 6G|Agrocide III|Agrocide WP|Agronexit|Ameisenmittel Merck|Ameisentod|Aparasin|Aphtiria|Aplidal|Arbitex|Arcotal S|Ben-Hex|Benhexol|Benzene hexachloride-gamma isomer|Benzene-1,2,3,4,5,6-hexachloride|Bercema-Spritz-Lindan 50|BRN 1907337|Caswell No. 079|Caswell No. 527|Celanex|Chloresene|Codechine|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta.)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2a,3b,4a,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, gamma-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, g-|Detmol Extract|Devoran|Dol Granule|Drilltox-Spezial Aglukon|EINECS 200-401-2|Entomoxan|EPA Pesticide Chemical Code 009001|Esoderm|Fenoform forte|Forst-Nexen|Gallogama|Gamacarbatox|Gamacid|Gamacide|Gamacide 20|Gamaphex|Gamma benzene hexachloride|gamma-1,2,3,4,5,6-Hexachlorocyclohexane|gamma-|25897-48-7|53529-37-6|55963-79-6|8007-42-9|8073-23-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020686 https://doi.org/10.22427/NTP-DATA-DTXSID2020686
ERPathway2016 ERPathway2016_467 Lindane 58-89-9 DTXSID2020686 R6 ER Pathway Model, Agonist Call Inactive Unitless Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl Lindane 58-89-9|Lindane|(1a,2a,3b,4a,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|1,2,3,4,5,6-G-HEXACHLOROCYCLOHEXANE|1,2,3,4,5,6-Hexachlorocyclohexane, gamma-isomer|4-05-00-00058|Aalindan|Aficide|Agrocide|Agrocide 6G|Agrocide III|Agrocide WP|Agronexit|Ameisenmittel Merck|Ameisentod|Aparasin|Aphtiria|Aplidal|Arbitex|Arcotal S|Ben-Hex|Benhexol|Benzene hexachloride-gamma isomer|Benzene-1,2,3,4,5,6-hexachloride|Bercema-Spritz-Lindan 50|BRN 1907337|Caswell No. 079|Caswell No. 527|Celanex|Chloresene|Codechine|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta.)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2a,3b,4a,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, gamma-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, g-|Detmol Extract|Devoran|Dol Granule|Drilltox-Spezial Aglukon|EINECS 200-401-2|Entomoxan|EPA Pesticide Chemical Code 009001|Esoderm|Fenoform forte|Forst-Nexen|Gallogama|Gamacarbatox|Gamacid|Gamacide|Gamacide 20|Gamaphex|Gamma benzene hexachloride|gamma-1,2,3,4,5,6-Hexachlorocyclohexane|gamma-|25897-48-7|53529-37-6|55963-79-6|8007-42-9|8073-23-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020686 https://doi.org/10.22427/NTP-DATA-DTXSID2020686
ERPathway2016 ERPathway2016_467 Lindane 58-89-9 DTXSID2020686 R6 ER Pathway Model, Antagonist Call Active Unitless Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl Lindane 58-89-9|Lindane|(1a,2a,3b,4a,5a,6b)-1,2,3,4,5,6-Hexachlorocyclohexane|1,2,3,4,5,6-G-HEXACHLOROCYCLOHEXANE|1,2,3,4,5,6-Hexachlorocyclohexane, gamma-isomer|4-05-00-00058|Aalindan|Aficide|Agrocide|Agrocide 6G|Agrocide III|Agrocide WP|Agronexit|Ameisenmittel Merck|Ameisentod|Aparasin|Aphtiria|Aplidal|Arbitex|Arcotal S|Ben-Hex|Benhexol|Benzene hexachloride-gamma isomer|Benzene-1,2,3,4,5,6-hexachloride|Bercema-Spritz-Lindan 50|BRN 1907337|Caswell No. 079|Caswell No. 527|Celanex|Chloresene|Codechine|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta.)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2a,3b,4a,5a,6b)-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, gamma-|Cyclohexane, 1,2,3,4,5,6-hexachloro-, g-|Detmol Extract|Devoran|Dol Granule|Drilltox-Spezial Aglukon|EINECS 200-401-2|Entomoxan|EPA Pesticide Chemical Code 009001|Esoderm|Fenoform forte|Forst-Nexen|Gallogama|Gamacarbatox|Gamacid|Gamacide|Gamacide 20|Gamaphex|Gamma benzene hexachloride|gamma-1,2,3,4,5,6-Hexachlorocyclohexane|gamma-|25897-48-7|53529-37-6|55963-79-6|8007-42-9|8073-23-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020686 https://doi.org/10.22427/NTP-DATA-DTXSID2020686
ARPathway2016 ARPathway2016_231 Linoleic acid 60-33-3 DTXSID2025505 1.0 A3 AR Pathway Model, Agonist AC50 31.32125369 uM CCCCCC=C/CC=C/CCCCCCCC(O)=O Linoleic acid 60-33-3|Linoleic acid|(9Z,12Z)-9,12-Octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecadienoate|(Z,Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecandienoic acid|9-cis,12-cis-Linoleate|9-cis,12-cis-Linoleic acid|9,12-Octadecadienoic acid (9Z,12Z)-|9,12-Octadecadienoic acid (Z,Z)-|9,12-Octadecadienoic acid, (Z,Z)-|9,12-Octadecadienoic acid, 9,12-Octadecadienoic acid|9Z,12Z-Linoleate|9Z,12Z-Linoleic acid|9Z,12Z-Octadecadienoate|9Z,12Z-Octadecadienoic acid|acide cis-linoleique|Acide linoleique|acido linoleico|acido linoleico, puro|All-cis-9,12-Octadecadienoate|all-cis-9,12-Octadecadienoic acid|alpha-Linoleic acid|C18:2 9c, 12c omega6 todos cis-9,12-octadienoico|C18:2, n-6,9 all-cis|cis-9,cis-12-Octadecadienoate|cis-9,cis-12-Octadecadienoic acid|cis-D9,12-Octadecadienoate|cis-D9,12-Octadecadienoic acid|cis-Delta(9,12)-octadecadienoic acid|cis-delta9,12-Octadecadienoic acid|cis-D9,12-Octadecadienoic acid|cis,cis-9,12-Octadecadienoic acid|cis,cis-Linoleate|cis,cis-Linoleic acid|EINECS 200-470-9|Emersol 310|Emersol 31|949900-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025505 https://doi.org/10.22427/NTP-DATA-DTXSID2025505
ARPathway2016 ARPathway2016_231 Linoleic acid 60-33-3 DTXSID2025505 1.0 A3 AR Pathway Model, Agonist ACC 25.18679274 uM CCCCCC=C/CC=C/CCCCCCCC(O)=O Linoleic acid 60-33-3|Linoleic acid|(9Z,12Z)-9,12-Octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecadienoate|(Z,Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecandienoic acid|9-cis,12-cis-Linoleate|9-cis,12-cis-Linoleic acid|9,12-Octadecadienoic acid (9Z,12Z)-|9,12-Octadecadienoic acid (Z,Z)-|9,12-Octadecadienoic acid, (Z,Z)-|9,12-Octadecadienoic acid, 9,12-Octadecadienoic acid|9Z,12Z-Linoleate|9Z,12Z-Linoleic acid|9Z,12Z-Octadecadienoate|9Z,12Z-Octadecadienoic acid|acide cis-linoleique|Acide linoleique|acido linoleico|acido linoleico, puro|All-cis-9,12-Octadecadienoate|all-cis-9,12-Octadecadienoic acid|alpha-Linoleic acid|C18:2 9c, 12c omega6 todos cis-9,12-octadienoico|C18:2, n-6,9 all-cis|cis-9,cis-12-Octadecadienoate|cis-9,cis-12-Octadecadienoic acid|cis-D9,12-Octadecadienoate|cis-D9,12-Octadecadienoic acid|cis-Delta(9,12)-octadecadienoic acid|cis-delta9,12-Octadecadienoic acid|cis-D9,12-Octadecadienoic acid|cis,cis-9,12-Octadecadienoic acid|cis,cis-Linoleate|cis,cis-Linoleic acid|EINECS 200-470-9|Emersol 310|Emersol 31|949900-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025505 https://doi.org/10.22427/NTP-DATA-DTXSID2025505
ARPathway2016 ARPathway2016_231 Linoleic acid 60-33-3 DTXSID2025505 1.0 A3 AR Pathway Model, Antagonist Model Score 0.0121 Unitless CCCCCC=C/CC=C/CCCCCCCC(O)=O Linoleic acid 60-33-3|Linoleic acid|(9Z,12Z)-9,12-Octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecadienoate|(Z,Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecandienoic acid|9-cis,12-cis-Linoleate|9-cis,12-cis-Linoleic acid|9,12-Octadecadienoic acid (9Z,12Z)-|9,12-Octadecadienoic acid (Z,Z)-|9,12-Octadecadienoic acid, (Z,Z)-|9,12-Octadecadienoic acid, 9,12-Octadecadienoic acid|9Z,12Z-Linoleate|9Z,12Z-Linoleic acid|9Z,12Z-Octadecadienoate|9Z,12Z-Octadecadienoic acid|acide cis-linoleique|Acide linoleique|acido linoleico|acido linoleico, puro|All-cis-9,12-Octadecadienoate|all-cis-9,12-Octadecadienoic acid|alpha-Linoleic acid|C18:2 9c, 12c omega6 todos cis-9,12-octadienoico|C18:2, n-6,9 all-cis|cis-9,cis-12-Octadecadienoate|cis-9,cis-12-Octadecadienoic acid|cis-D9,12-Octadecadienoate|cis-D9,12-Octadecadienoic acid|cis-Delta(9,12)-octadecadienoic acid|cis-delta9,12-Octadecadienoic acid|cis-D9,12-Octadecadienoic acid|cis,cis-9,12-Octadecadienoic acid|cis,cis-Linoleate|cis,cis-Linoleic acid|EINECS 200-470-9|Emersol 310|Emersol 31|949900-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025505 https://doi.org/10.22427/NTP-DATA-DTXSID2025505
ARPathway2016 ARPathway2016_231 Linoleic acid 60-33-3 DTXSID2025505 1.0 A3 AR Pathway Model, Agonist Model Score 0.00607 Unitless CCCCCC=C/CC=C/CCCCCCCC(O)=O Linoleic acid 60-33-3|Linoleic acid|(9Z,12Z)-9,12-Octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecadienoate|(Z,Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecandienoic acid|9-cis,12-cis-Linoleate|9-cis,12-cis-Linoleic acid|9,12-Octadecadienoic acid (9Z,12Z)-|9,12-Octadecadienoic acid (Z,Z)-|9,12-Octadecadienoic acid, (Z,Z)-|9,12-Octadecadienoic acid, 9,12-Octadecadienoic acid|9Z,12Z-Linoleate|9Z,12Z-Linoleic acid|9Z,12Z-Octadecadienoate|9Z,12Z-Octadecadienoic acid|acide cis-linoleique|Acide linoleique|acido linoleico|acido linoleico, puro|All-cis-9,12-Octadecadienoate|all-cis-9,12-Octadecadienoic acid|alpha-Linoleic acid|C18:2 9c, 12c omega6 todos cis-9,12-octadienoico|C18:2, n-6,9 all-cis|cis-9,cis-12-Octadecadienoate|cis-9,cis-12-Octadecadienoic acid|cis-D9,12-Octadecadienoate|cis-D9,12-Octadecadienoic acid|cis-Delta(9,12)-octadecadienoic acid|cis-delta9,12-Octadecadienoic acid|cis-D9,12-Octadecadienoic acid|cis,cis-9,12-Octadecadienoic acid|cis,cis-Linoleate|cis,cis-Linoleic acid|EINECS 200-470-9|Emersol 310|Emersol 31|949900-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025505 https://doi.org/10.22427/NTP-DATA-DTXSID2025505
ARPathway2016 ARPathway2016_231 Linoleic acid 60-33-3 DTXSID2025505 1.0 A3 AR Pathway Model, Agonist Call Active Unitless CCCCCC=C/CC=C/CCCCCCCC(O)=O Linoleic acid 60-33-3|Linoleic acid|(9Z,12Z)-9,12-Octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecadienoate|(Z,Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecandienoic acid|9-cis,12-cis-Linoleate|9-cis,12-cis-Linoleic acid|9,12-Octadecadienoic acid (9Z,12Z)-|9,12-Octadecadienoic acid (Z,Z)-|9,12-Octadecadienoic acid, (Z,Z)-|9,12-Octadecadienoic acid, 9,12-Octadecadienoic acid|9Z,12Z-Linoleate|9Z,12Z-Linoleic acid|9Z,12Z-Octadecadienoate|9Z,12Z-Octadecadienoic acid|acide cis-linoleique|Acide linoleique|acido linoleico|acido linoleico, puro|All-cis-9,12-Octadecadienoate|all-cis-9,12-Octadecadienoic acid|alpha-Linoleic acid|C18:2 9c, 12c omega6 todos cis-9,12-octadienoico|C18:2, n-6,9 all-cis|cis-9,cis-12-Octadecadienoate|cis-9,cis-12-Octadecadienoic acid|cis-D9,12-Octadecadienoate|cis-D9,12-Octadecadienoic acid|cis-Delta(9,12)-octadecadienoic acid|cis-delta9,12-Octadecadienoic acid|cis-D9,12-Octadecadienoic acid|cis,cis-9,12-Octadecadienoic acid|cis,cis-Linoleate|cis,cis-Linoleic acid|EINECS 200-470-9|Emersol 310|Emersol 31|949900-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025505 https://doi.org/10.22427/NTP-DATA-DTXSID2025505
ARPathway2016 ARPathway2016_231 Linoleic acid 60-33-3 DTXSID2025505 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCC=C/CC=C/CCCCCCCC(O)=O Linoleic acid 60-33-3|Linoleic acid|(9Z,12Z)-9,12-Octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecadienoate|(Z,Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecandienoic acid|9-cis,12-cis-Linoleate|9-cis,12-cis-Linoleic acid|9,12-Octadecadienoic acid (9Z,12Z)-|9,12-Octadecadienoic acid (Z,Z)-|9,12-Octadecadienoic acid, (Z,Z)-|9,12-Octadecadienoic acid, 9,12-Octadecadienoic acid|9Z,12Z-Linoleate|9Z,12Z-Linoleic acid|9Z,12Z-Octadecadienoate|9Z,12Z-Octadecadienoic acid|acide cis-linoleique|Acide linoleique|acido linoleico|acido linoleico, puro|All-cis-9,12-Octadecadienoate|all-cis-9,12-Octadecadienoic acid|alpha-Linoleic acid|C18:2 9c, 12c omega6 todos cis-9,12-octadienoico|C18:2, n-6,9 all-cis|cis-9,cis-12-Octadecadienoate|cis-9,cis-12-Octadecadienoic acid|cis-D9,12-Octadecadienoate|cis-D9,12-Octadecadienoic acid|cis-Delta(9,12)-octadecadienoic acid|cis-delta9,12-Octadecadienoic acid|cis-D9,12-Octadecadienoic acid|cis,cis-9,12-Octadecadienoic acid|cis,cis-Linoleate|cis,cis-Linoleic acid|EINECS 200-470-9|Emersol 310|Emersol 31|949900-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025505 https://doi.org/10.22427/NTP-DATA-DTXSID2025505
ERPathway2016 ERPathway2016_127 Linoleic acid 60-33-3 DTXSID2025505 ER Pathway Model, Agonist AC50 29.1577135194153 uM CCCCCC=C/CC=C/CCCCCCCC(O)=O Linoleic acid 60-33-3|Linoleic acid|(9Z,12Z)-9,12-Octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecadienoate|(Z,Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecandienoic acid|9-cis,12-cis-Linoleate|9-cis,12-cis-Linoleic acid|9,12-Octadecadienoic acid (9Z,12Z)-|9,12-Octadecadienoic acid (Z,Z)-|9,12-Octadecadienoic acid, (Z,Z)-|9,12-Octadecadienoic acid, 9,12-Octadecadienoic acid|9Z,12Z-Linoleate|9Z,12Z-Linoleic acid|9Z,12Z-Octadecadienoate|9Z,12Z-Octadecadienoic acid|acide cis-linoleique|Acide linoleique|acido linoleico|acido linoleico, puro|All-cis-9,12-Octadecadienoate|all-cis-9,12-Octadecadienoic acid|alpha-Linoleic acid|C18:2 9c, 12c omega6 todos cis-9,12-octadienoico|C18:2, n-6,9 all-cis|cis-9,cis-12-Octadecadienoate|cis-9,cis-12-Octadecadienoic acid|cis-D9,12-Octadecadienoate|cis-D9,12-Octadecadienoic acid|cis-Delta(9,12)-octadecadienoic acid|cis-delta9,12-Octadecadienoic acid|cis-D9,12-Octadecadienoic acid|cis,cis-9,12-Octadecadienoic acid|cis,cis-Linoleate|cis,cis-Linoleic acid|EINECS 200-470-9|Emersol 310|Emersol 31|949900-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025505 https://doi.org/10.22427/NTP-DATA-DTXSID2025505
ERPathway2016 ERPathway2016_127 Linoleic acid 60-33-3 DTXSID2025505 ER Pathway Model, Agonist ACC 23.4122562985266 uM CCCCCC=C/CC=C/CCCCCCCC(O)=O Linoleic acid 60-33-3|Linoleic acid|(9Z,12Z)-9,12-Octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecadienoate|(Z,Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecandienoic acid|9-cis,12-cis-Linoleate|9-cis,12-cis-Linoleic acid|9,12-Octadecadienoic acid (9Z,12Z)-|9,12-Octadecadienoic acid (Z,Z)-|9,12-Octadecadienoic acid, (Z,Z)-|9,12-Octadecadienoic acid, 9,12-Octadecadienoic acid|9Z,12Z-Linoleate|9Z,12Z-Linoleic acid|9Z,12Z-Octadecadienoate|9Z,12Z-Octadecadienoic acid|acide cis-linoleique|Acide linoleique|acido linoleico|acido linoleico, puro|All-cis-9,12-Octadecadienoate|all-cis-9,12-Octadecadienoic acid|alpha-Linoleic acid|C18:2 9c, 12c omega6 todos cis-9,12-octadienoico|C18:2, n-6,9 all-cis|cis-9,cis-12-Octadecadienoate|cis-9,cis-12-Octadecadienoic acid|cis-D9,12-Octadecadienoate|cis-D9,12-Octadecadienoic acid|cis-Delta(9,12)-octadecadienoic acid|cis-delta9,12-Octadecadienoic acid|cis-D9,12-Octadecadienoic acid|cis,cis-9,12-Octadecadienoic acid|cis,cis-Linoleate|cis,cis-Linoleic acid|EINECS 200-470-9|Emersol 310|Emersol 31|949900-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025505 https://doi.org/10.22427/NTP-DATA-DTXSID2025505
ERPathway2016 ERPathway2016_127 Linoleic acid 60-33-3 DTXSID2025505 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCC=C/CC=C/CCCCCCCC(O)=O Linoleic acid 60-33-3|Linoleic acid|(9Z,12Z)-9,12-Octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecadienoate|(Z,Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecandienoic acid|9-cis,12-cis-Linoleate|9-cis,12-cis-Linoleic acid|9,12-Octadecadienoic acid (9Z,12Z)-|9,12-Octadecadienoic acid (Z,Z)-|9,12-Octadecadienoic acid, (Z,Z)-|9,12-Octadecadienoic acid, 9,12-Octadecadienoic acid|9Z,12Z-Linoleate|9Z,12Z-Linoleic acid|9Z,12Z-Octadecadienoate|9Z,12Z-Octadecadienoic acid|acide cis-linoleique|Acide linoleique|acido linoleico|acido linoleico, puro|All-cis-9,12-Octadecadienoate|all-cis-9,12-Octadecadienoic acid|alpha-Linoleic acid|C18:2 9c, 12c omega6 todos cis-9,12-octadienoico|C18:2, n-6,9 all-cis|cis-9,cis-12-Octadecadienoate|cis-9,cis-12-Octadecadienoic acid|cis-D9,12-Octadecadienoate|cis-D9,12-Octadecadienoic acid|cis-Delta(9,12)-octadecadienoic acid|cis-delta9,12-Octadecadienoic acid|cis-D9,12-Octadecadienoic acid|cis,cis-9,12-Octadecadienoic acid|cis,cis-Linoleate|cis,cis-Linoleic acid|EINECS 200-470-9|Emersol 310|Emersol 31|949900-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025505 https://doi.org/10.22427/NTP-DATA-DTXSID2025505
ERPathway2016 ERPathway2016_127 Linoleic acid 60-33-3 DTXSID2025505 ER Pathway Model, Antagonist Model Score 0.0336 Unitless CCCCCC=C/CC=C/CCCCCCCC(O)=O Linoleic acid 60-33-3|Linoleic acid|(9Z,12Z)-9,12-Octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecadienoate|(Z,Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecandienoic acid|9-cis,12-cis-Linoleate|9-cis,12-cis-Linoleic acid|9,12-Octadecadienoic acid (9Z,12Z)-|9,12-Octadecadienoic acid (Z,Z)-|9,12-Octadecadienoic acid, (Z,Z)-|9,12-Octadecadienoic acid, 9,12-Octadecadienoic acid|9Z,12Z-Linoleate|9Z,12Z-Linoleic acid|9Z,12Z-Octadecadienoate|9Z,12Z-Octadecadienoic acid|acide cis-linoleique|Acide linoleique|acido linoleico|acido linoleico, puro|All-cis-9,12-Octadecadienoate|all-cis-9,12-Octadecadienoic acid|alpha-Linoleic acid|C18:2 9c, 12c omega6 todos cis-9,12-octadienoico|C18:2, n-6,9 all-cis|cis-9,cis-12-Octadecadienoate|cis-9,cis-12-Octadecadienoic acid|cis-D9,12-Octadecadienoate|cis-D9,12-Octadecadienoic acid|cis-Delta(9,12)-octadecadienoic acid|cis-delta9,12-Octadecadienoic acid|cis-D9,12-Octadecadienoic acid|cis,cis-9,12-Octadecadienoic acid|cis,cis-Linoleate|cis,cis-Linoleic acid|EINECS 200-470-9|Emersol 310|Emersol 31|949900-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025505 https://doi.org/10.22427/NTP-DATA-DTXSID2025505
ERPathway2016 ERPathway2016_127 Linoleic acid 60-33-3 DTXSID2025505 ER Pathway Model, Agonist Call Active Unitless CCCCCC=C/CC=C/CCCCCCCC(O)=O Linoleic acid 60-33-3|Linoleic acid|(9Z,12Z)-9,12-Octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecadienoate|(Z,Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecandienoic acid|9-cis,12-cis-Linoleate|9-cis,12-cis-Linoleic acid|9,12-Octadecadienoic acid (9Z,12Z)-|9,12-Octadecadienoic acid (Z,Z)-|9,12-Octadecadienoic acid, (Z,Z)-|9,12-Octadecadienoic acid, 9,12-Octadecadienoic acid|9Z,12Z-Linoleate|9Z,12Z-Linoleic acid|9Z,12Z-Octadecadienoate|9Z,12Z-Octadecadienoic acid|acide cis-linoleique|Acide linoleique|acido linoleico|acido linoleico, puro|All-cis-9,12-Octadecadienoate|all-cis-9,12-Octadecadienoic acid|alpha-Linoleic acid|C18:2 9c, 12c omega6 todos cis-9,12-octadienoico|C18:2, n-6,9 all-cis|cis-9,cis-12-Octadecadienoate|cis-9,cis-12-Octadecadienoic acid|cis-D9,12-Octadecadienoate|cis-D9,12-Octadecadienoic acid|cis-Delta(9,12)-octadecadienoic acid|cis-delta9,12-Octadecadienoic acid|cis-D9,12-Octadecadienoic acid|cis,cis-9,12-Octadecadienoic acid|cis,cis-Linoleate|cis,cis-Linoleic acid|EINECS 200-470-9|Emersol 310|Emersol 31|949900-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025505 https://doi.org/10.22427/NTP-DATA-DTXSID2025505
ERPathway2016 ERPathway2016_127 Linoleic acid 60-33-3 DTXSID2025505 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCC=C/CC=C/CCCCCCCC(O)=O Linoleic acid 60-33-3|Linoleic acid|(9Z,12Z)-9,12-Octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecadienoate|(Z,Z)-9,12-Octadecadienoic acid|(Z,Z)-9,12-Octadecandienoic acid|9-cis,12-cis-Linoleate|9-cis,12-cis-Linoleic acid|9,12-Octadecadienoic acid (9Z,12Z)-|9,12-Octadecadienoic acid (Z,Z)-|9,12-Octadecadienoic acid, (Z,Z)-|9,12-Octadecadienoic acid, 9,12-Octadecadienoic acid|9Z,12Z-Linoleate|9Z,12Z-Linoleic acid|9Z,12Z-Octadecadienoate|9Z,12Z-Octadecadienoic acid|acide cis-linoleique|Acide linoleique|acido linoleico|acido linoleico, puro|All-cis-9,12-Octadecadienoate|all-cis-9,12-Octadecadienoic acid|alpha-Linoleic acid|C18:2 9c, 12c omega6 todos cis-9,12-octadienoico|C18:2, n-6,9 all-cis|cis-9,cis-12-Octadecadienoate|cis-9,cis-12-Octadecadienoic acid|cis-D9,12-Octadecadienoate|cis-D9,12-Octadecadienoic acid|cis-Delta(9,12)-octadecadienoic acid|cis-delta9,12-Octadecadienoic acid|cis-D9,12-Octadecadienoic acid|cis,cis-9,12-Octadecadienoic acid|cis,cis-Linoleate|cis,cis-Linoleic acid|EINECS 200-470-9|Emersol 310|Emersol 31|949900-18-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025505 https://doi.org/10.22427/NTP-DATA-DTXSID2025505
ARPathway2016 ARPathway2016_181 Linolenic acid 463-40-1 DTXSID7025506 1.0 AR Pathway Model, Agonist AC50 25.1086221737727 uM CCC=C/CC=C/CC=C/CCCCCCCC(O)=O Linolenic acid 463-40-1|Linolenic acid|(9,12,15)-linolenate|(9,12,15)-linolenic acid|(9Z,12Z,15Z)-9,12,15-Octadecatrienoic acid|(9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid|(9Z,12Z,15Z)-Octadecatrienoate|(9Z,12Z,15Z)-Octadecatrienoic acid|(all-Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-9,12,15-Octadecatrienoate|(Z,Z,Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-Octadeca-9,12,15-trienoic acid|9-cis,12-cis,15-cis-Octadecatrienoate|9-cis,12-cis,15-cis-Octadecatrienoic acid|9,12,15-all-cis-Octadecatrienoic acid|9,12,15-Octadecatrienoate|9,12,15-Octadecatrienoic acid, (9Z,12Z,15Z)-|9,12,15-Octadecatrienoic acid, (Z,Z,Z)-|9Z,12Z,15Z-Octadecatrienoic acid|a-Linolenate|a-Linolenic acid|Acide linolenique|acido linolenico, bruto|ALA|All-cis-9,12,15-Octadecatrienoate|all-cis-9,12,15-Octadecatrienoic acid|alpha-Linolenic acid|cis-9,12,15-Octadecatrienoate|cis-9,12,15-Octadecatrienoic acid|cis-9,cis-12,cis-15-Octadecatrienoic acid|cis-Delta(9,12,15)-octadecatrienoic acid|cis-delta9,12,15-Octadecatrienoic acid|cis-D9,12,15-Octadecatrienoic acid|cis,cis,cis-9,12,15-Oct https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025506 https://doi.org/10.22427/NTP-DATA-DTXSID7025506
ARPathway2016 ARPathway2016_181 Linolenic acid 463-40-1 DTXSID7025506 1.0 AR Pathway Model, Agonist ACC 30.0825880717221 uM CCC=C/CC=C/CC=C/CCCCCCCC(O)=O Linolenic acid 463-40-1|Linolenic acid|(9,12,15)-linolenate|(9,12,15)-linolenic acid|(9Z,12Z,15Z)-9,12,15-Octadecatrienoic acid|(9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid|(9Z,12Z,15Z)-Octadecatrienoate|(9Z,12Z,15Z)-Octadecatrienoic acid|(all-Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-9,12,15-Octadecatrienoate|(Z,Z,Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-Octadeca-9,12,15-trienoic acid|9-cis,12-cis,15-cis-Octadecatrienoate|9-cis,12-cis,15-cis-Octadecatrienoic acid|9,12,15-all-cis-Octadecatrienoic acid|9,12,15-Octadecatrienoate|9,12,15-Octadecatrienoic acid, (9Z,12Z,15Z)-|9,12,15-Octadecatrienoic acid, (Z,Z,Z)-|9Z,12Z,15Z-Octadecatrienoic acid|a-Linolenate|a-Linolenic acid|Acide linolenique|acido linolenico, bruto|ALA|All-cis-9,12,15-Octadecatrienoate|all-cis-9,12,15-Octadecatrienoic acid|alpha-Linolenic acid|cis-9,12,15-Octadecatrienoate|cis-9,12,15-Octadecatrienoic acid|cis-9,cis-12,cis-15-Octadecatrienoic acid|cis-Delta(9,12,15)-octadecatrienoic acid|cis-delta9,12,15-Octadecatrienoic acid|cis-D9,12,15-Octadecatrienoic acid|cis,cis,cis-9,12,15-Oct https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025506 https://doi.org/10.22427/NTP-DATA-DTXSID7025506
ARPathway2016 ARPathway2016_181 Linolenic acid 463-40-1 DTXSID7025506 1.0 AR Pathway Model, Antagonist Model Score 0.0103 Unitless CCC=C/CC=C/CC=C/CCCCCCCC(O)=O Linolenic acid 463-40-1|Linolenic acid|(9,12,15)-linolenate|(9,12,15)-linolenic acid|(9Z,12Z,15Z)-9,12,15-Octadecatrienoic acid|(9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid|(9Z,12Z,15Z)-Octadecatrienoate|(9Z,12Z,15Z)-Octadecatrienoic acid|(all-Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-9,12,15-Octadecatrienoate|(Z,Z,Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-Octadeca-9,12,15-trienoic acid|9-cis,12-cis,15-cis-Octadecatrienoate|9-cis,12-cis,15-cis-Octadecatrienoic acid|9,12,15-all-cis-Octadecatrienoic acid|9,12,15-Octadecatrienoate|9,12,15-Octadecatrienoic acid, (9Z,12Z,15Z)-|9,12,15-Octadecatrienoic acid, (Z,Z,Z)-|9Z,12Z,15Z-Octadecatrienoic acid|a-Linolenate|a-Linolenic acid|Acide linolenique|acido linolenico, bruto|ALA|All-cis-9,12,15-Octadecatrienoate|all-cis-9,12,15-Octadecatrienoic acid|alpha-Linolenic acid|cis-9,12,15-Octadecatrienoate|cis-9,12,15-Octadecatrienoic acid|cis-9,cis-12,cis-15-Octadecatrienoic acid|cis-Delta(9,12,15)-octadecatrienoic acid|cis-delta9,12,15-Octadecatrienoic acid|cis-D9,12,15-Octadecatrienoic acid|cis,cis,cis-9,12,15-Oct https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025506 https://doi.org/10.22427/NTP-DATA-DTXSID7025506
ARPathway2016 ARPathway2016_181 Linolenic acid 463-40-1 DTXSID7025506 1.0 AR Pathway Model, Agonist Model Score 0.00517 Unitless CCC=C/CC=C/CC=C/CCCCCCCC(O)=O Linolenic acid 463-40-1|Linolenic acid|(9,12,15)-linolenate|(9,12,15)-linolenic acid|(9Z,12Z,15Z)-9,12,15-Octadecatrienoic acid|(9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid|(9Z,12Z,15Z)-Octadecatrienoate|(9Z,12Z,15Z)-Octadecatrienoic acid|(all-Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-9,12,15-Octadecatrienoate|(Z,Z,Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-Octadeca-9,12,15-trienoic acid|9-cis,12-cis,15-cis-Octadecatrienoate|9-cis,12-cis,15-cis-Octadecatrienoic acid|9,12,15-all-cis-Octadecatrienoic acid|9,12,15-Octadecatrienoate|9,12,15-Octadecatrienoic acid, (9Z,12Z,15Z)-|9,12,15-Octadecatrienoic acid, (Z,Z,Z)-|9Z,12Z,15Z-Octadecatrienoic acid|a-Linolenate|a-Linolenic acid|Acide linolenique|acido linolenico, bruto|ALA|All-cis-9,12,15-Octadecatrienoate|all-cis-9,12,15-Octadecatrienoic acid|alpha-Linolenic acid|cis-9,12,15-Octadecatrienoate|cis-9,12,15-Octadecatrienoic acid|cis-9,cis-12,cis-15-Octadecatrienoic acid|cis-Delta(9,12,15)-octadecatrienoic acid|cis-delta9,12,15-Octadecatrienoic acid|cis-D9,12,15-Octadecatrienoic acid|cis,cis,cis-9,12,15-Oct https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025506 https://doi.org/10.22427/NTP-DATA-DTXSID7025506
ARPathway2016 ARPathway2016_181 Linolenic acid 463-40-1 DTXSID7025506 1.0 AR Pathway Model, Agonist Call Active Unitless CCC=C/CC=C/CC=C/CCCCCCCC(O)=O Linolenic acid 463-40-1|Linolenic acid|(9,12,15)-linolenate|(9,12,15)-linolenic acid|(9Z,12Z,15Z)-9,12,15-Octadecatrienoic acid|(9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid|(9Z,12Z,15Z)-Octadecatrienoate|(9Z,12Z,15Z)-Octadecatrienoic acid|(all-Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-9,12,15-Octadecatrienoate|(Z,Z,Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-Octadeca-9,12,15-trienoic acid|9-cis,12-cis,15-cis-Octadecatrienoate|9-cis,12-cis,15-cis-Octadecatrienoic acid|9,12,15-all-cis-Octadecatrienoic acid|9,12,15-Octadecatrienoate|9,12,15-Octadecatrienoic acid, (9Z,12Z,15Z)-|9,12,15-Octadecatrienoic acid, (Z,Z,Z)-|9Z,12Z,15Z-Octadecatrienoic acid|a-Linolenate|a-Linolenic acid|Acide linolenique|acido linolenico, bruto|ALA|All-cis-9,12,15-Octadecatrienoate|all-cis-9,12,15-Octadecatrienoic acid|alpha-Linolenic acid|cis-9,12,15-Octadecatrienoate|cis-9,12,15-Octadecatrienoic acid|cis-9,cis-12,cis-15-Octadecatrienoic acid|cis-Delta(9,12,15)-octadecatrienoic acid|cis-delta9,12,15-Octadecatrienoic acid|cis-D9,12,15-Octadecatrienoic acid|cis,cis,cis-9,12,15-Oct https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025506 https://doi.org/10.22427/NTP-DATA-DTXSID7025506
ARPathway2016 ARPathway2016_181 Linolenic acid 463-40-1 DTXSID7025506 1.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC=C/CC=C/CC=C/CCCCCCCC(O)=O Linolenic acid 463-40-1|Linolenic acid|(9,12,15)-linolenate|(9,12,15)-linolenic acid|(9Z,12Z,15Z)-9,12,15-Octadecatrienoic acid|(9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid|(9Z,12Z,15Z)-Octadecatrienoate|(9Z,12Z,15Z)-Octadecatrienoic acid|(all-Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-9,12,15-Octadecatrienoate|(Z,Z,Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-Octadeca-9,12,15-trienoic acid|9-cis,12-cis,15-cis-Octadecatrienoate|9-cis,12-cis,15-cis-Octadecatrienoic acid|9,12,15-all-cis-Octadecatrienoic acid|9,12,15-Octadecatrienoate|9,12,15-Octadecatrienoic acid, (9Z,12Z,15Z)-|9,12,15-Octadecatrienoic acid, (Z,Z,Z)-|9Z,12Z,15Z-Octadecatrienoic acid|a-Linolenate|a-Linolenic acid|Acide linolenique|acido linolenico, bruto|ALA|All-cis-9,12,15-Octadecatrienoate|all-cis-9,12,15-Octadecatrienoic acid|alpha-Linolenic acid|cis-9,12,15-Octadecatrienoate|cis-9,12,15-Octadecatrienoic acid|cis-9,cis-12,cis-15-Octadecatrienoic acid|cis-Delta(9,12,15)-octadecatrienoic acid|cis-delta9,12,15-Octadecatrienoic acid|cis-D9,12,15-Octadecatrienoic acid|cis,cis,cis-9,12,15-Oct https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025506 https://doi.org/10.22427/NTP-DATA-DTXSID7025506
ERPathway2016 ERPathway2016_57 Linolenic acid 463-40-1 DTXSID7025506 ER Pathway Model, Agonist AC50 8.42333247699435 uM CCC=C/CC=C/CC=C/CCCCCCCC(O)=O Linolenic acid 463-40-1|Linolenic acid|(9,12,15)-linolenate|(9,12,15)-linolenic acid|(9Z,12Z,15Z)-9,12,15-Octadecatrienoic acid|(9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid|(9Z,12Z,15Z)-Octadecatrienoate|(9Z,12Z,15Z)-Octadecatrienoic acid|(all-Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-9,12,15-Octadecatrienoate|(Z,Z,Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-Octadeca-9,12,15-trienoic acid|9-cis,12-cis,15-cis-Octadecatrienoate|9-cis,12-cis,15-cis-Octadecatrienoic acid|9,12,15-all-cis-Octadecatrienoic acid|9,12,15-Octadecatrienoate|9,12,15-Octadecatrienoic acid, (9Z,12Z,15Z)-|9,12,15-Octadecatrienoic acid, (Z,Z,Z)-|9Z,12Z,15Z-Octadecatrienoic acid|a-Linolenate|a-Linolenic acid|Acide linolenique|acido linolenico, bruto|ALA|All-cis-9,12,15-Octadecatrienoate|all-cis-9,12,15-Octadecatrienoic acid|alpha-Linolenic acid|cis-9,12,15-Octadecatrienoate|cis-9,12,15-Octadecatrienoic acid|cis-9,cis-12,cis-15-Octadecatrienoic acid|cis-Delta(9,12,15)-octadecatrienoic acid|cis-delta9,12,15-Octadecatrienoic acid|cis-D9,12,15-Octadecatrienoic acid|cis,cis,cis-9,12,15-Oct https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025506 https://doi.org/10.22427/NTP-DATA-DTXSID7025506
ERPathway2016 ERPathway2016_57 Linolenic acid 463-40-1 DTXSID7025506 ER Pathway Model, Agonist ACC 17.0659517785144 uM CCC=C/CC=C/CC=C/CCCCCCCC(O)=O Linolenic acid 463-40-1|Linolenic acid|(9,12,15)-linolenate|(9,12,15)-linolenic acid|(9Z,12Z,15Z)-9,12,15-Octadecatrienoic acid|(9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid|(9Z,12Z,15Z)-Octadecatrienoate|(9Z,12Z,15Z)-Octadecatrienoic acid|(all-Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-9,12,15-Octadecatrienoate|(Z,Z,Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-Octadeca-9,12,15-trienoic acid|9-cis,12-cis,15-cis-Octadecatrienoate|9-cis,12-cis,15-cis-Octadecatrienoic acid|9,12,15-all-cis-Octadecatrienoic acid|9,12,15-Octadecatrienoate|9,12,15-Octadecatrienoic acid, (9Z,12Z,15Z)-|9,12,15-Octadecatrienoic acid, (Z,Z,Z)-|9Z,12Z,15Z-Octadecatrienoic acid|a-Linolenate|a-Linolenic acid|Acide linolenique|acido linolenico, bruto|ALA|All-cis-9,12,15-Octadecatrienoate|all-cis-9,12,15-Octadecatrienoic acid|alpha-Linolenic acid|cis-9,12,15-Octadecatrienoate|cis-9,12,15-Octadecatrienoic acid|cis-9,cis-12,cis-15-Octadecatrienoic acid|cis-Delta(9,12,15)-octadecatrienoic acid|cis-delta9,12,15-Octadecatrienoic acid|cis-D9,12,15-Octadecatrienoic acid|cis,cis,cis-9,12,15-Oct https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025506 https://doi.org/10.22427/NTP-DATA-DTXSID7025506
ERPathway2016 ERPathway2016_57 Linolenic acid 463-40-1 DTXSID7025506 ER Pathway Model, Agonist Model Score 0.00166 Unitless CCC=C/CC=C/CC=C/CCCCCCCC(O)=O Linolenic acid 463-40-1|Linolenic acid|(9,12,15)-linolenate|(9,12,15)-linolenic acid|(9Z,12Z,15Z)-9,12,15-Octadecatrienoic acid|(9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid|(9Z,12Z,15Z)-Octadecatrienoate|(9Z,12Z,15Z)-Octadecatrienoic acid|(all-Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-9,12,15-Octadecatrienoate|(Z,Z,Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-Octadeca-9,12,15-trienoic acid|9-cis,12-cis,15-cis-Octadecatrienoate|9-cis,12-cis,15-cis-Octadecatrienoic acid|9,12,15-all-cis-Octadecatrienoic acid|9,12,15-Octadecatrienoate|9,12,15-Octadecatrienoic acid, (9Z,12Z,15Z)-|9,12,15-Octadecatrienoic acid, (Z,Z,Z)-|9Z,12Z,15Z-Octadecatrienoic acid|a-Linolenate|a-Linolenic acid|Acide linolenique|acido linolenico, bruto|ALA|All-cis-9,12,15-Octadecatrienoate|all-cis-9,12,15-Octadecatrienoic acid|alpha-Linolenic acid|cis-9,12,15-Octadecatrienoate|cis-9,12,15-Octadecatrienoic acid|cis-9,cis-12,cis-15-Octadecatrienoic acid|cis-Delta(9,12,15)-octadecatrienoic acid|cis-delta9,12,15-Octadecatrienoic acid|cis-D9,12,15-Octadecatrienoic acid|cis,cis,cis-9,12,15-Oct https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025506 https://doi.org/10.22427/NTP-DATA-DTXSID7025506
ERPathway2016 ERPathway2016_57 Linolenic acid 463-40-1 DTXSID7025506 ER Pathway Model, Antagonist Model Score 0.00511 Unitless CCC=C/CC=C/CC=C/CCCCCCCC(O)=O Linolenic acid 463-40-1|Linolenic acid|(9,12,15)-linolenate|(9,12,15)-linolenic acid|(9Z,12Z,15Z)-9,12,15-Octadecatrienoic acid|(9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid|(9Z,12Z,15Z)-Octadecatrienoate|(9Z,12Z,15Z)-Octadecatrienoic acid|(all-Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-9,12,15-Octadecatrienoate|(Z,Z,Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-Octadeca-9,12,15-trienoic acid|9-cis,12-cis,15-cis-Octadecatrienoate|9-cis,12-cis,15-cis-Octadecatrienoic acid|9,12,15-all-cis-Octadecatrienoic acid|9,12,15-Octadecatrienoate|9,12,15-Octadecatrienoic acid, (9Z,12Z,15Z)-|9,12,15-Octadecatrienoic acid, (Z,Z,Z)-|9Z,12Z,15Z-Octadecatrienoic acid|a-Linolenate|a-Linolenic acid|Acide linolenique|acido linolenico, bruto|ALA|All-cis-9,12,15-Octadecatrienoate|all-cis-9,12,15-Octadecatrienoic acid|alpha-Linolenic acid|cis-9,12,15-Octadecatrienoate|cis-9,12,15-Octadecatrienoic acid|cis-9,cis-12,cis-15-Octadecatrienoic acid|cis-Delta(9,12,15)-octadecatrienoic acid|cis-delta9,12,15-Octadecatrienoic acid|cis-D9,12,15-Octadecatrienoic acid|cis,cis,cis-9,12,15-Oct https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025506 https://doi.org/10.22427/NTP-DATA-DTXSID7025506
ERPathway2016 ERPathway2016_57 Linolenic acid 463-40-1 DTXSID7025506 ER Pathway Model, Agonist Call Active Unitless CCC=C/CC=C/CC=C/CCCCCCCC(O)=O Linolenic acid 463-40-1|Linolenic acid|(9,12,15)-linolenate|(9,12,15)-linolenic acid|(9Z,12Z,15Z)-9,12,15-Octadecatrienoic acid|(9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid|(9Z,12Z,15Z)-Octadecatrienoate|(9Z,12Z,15Z)-Octadecatrienoic acid|(all-Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-9,12,15-Octadecatrienoate|(Z,Z,Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-Octadeca-9,12,15-trienoic acid|9-cis,12-cis,15-cis-Octadecatrienoate|9-cis,12-cis,15-cis-Octadecatrienoic acid|9,12,15-all-cis-Octadecatrienoic acid|9,12,15-Octadecatrienoate|9,12,15-Octadecatrienoic acid, (9Z,12Z,15Z)-|9,12,15-Octadecatrienoic acid, (Z,Z,Z)-|9Z,12Z,15Z-Octadecatrienoic acid|a-Linolenate|a-Linolenic acid|Acide linolenique|acido linolenico, bruto|ALA|All-cis-9,12,15-Octadecatrienoate|all-cis-9,12,15-Octadecatrienoic acid|alpha-Linolenic acid|cis-9,12,15-Octadecatrienoate|cis-9,12,15-Octadecatrienoic acid|cis-9,cis-12,cis-15-Octadecatrienoic acid|cis-Delta(9,12,15)-octadecatrienoic acid|cis-delta9,12,15-Octadecatrienoic acid|cis-D9,12,15-Octadecatrienoic acid|cis,cis,cis-9,12,15-Oct https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025506 https://doi.org/10.22427/NTP-DATA-DTXSID7025506
ERPathway2016 ERPathway2016_57 Linolenic acid 463-40-1 DTXSID7025506 ER Pathway Model, Antagonist Call Inactive Unitless CCC=C/CC=C/CC=C/CCCCCCCC(O)=O Linolenic acid 463-40-1|Linolenic acid|(9,12,15)-linolenate|(9,12,15)-linolenic acid|(9Z,12Z,15Z)-9,12,15-Octadecatrienoic acid|(9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid|(9Z,12Z,15Z)-Octadecatrienoate|(9Z,12Z,15Z)-Octadecatrienoic acid|(all-Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-9,12,15-Octadecatrienoate|(Z,Z,Z)-9,12,15-Octadecatrienoic acid|(Z,Z,Z)-Octadeca-9,12,15-trienoic acid|9-cis,12-cis,15-cis-Octadecatrienoate|9-cis,12-cis,15-cis-Octadecatrienoic acid|9,12,15-all-cis-Octadecatrienoic acid|9,12,15-Octadecatrienoate|9,12,15-Octadecatrienoic acid, (9Z,12Z,15Z)-|9,12,15-Octadecatrienoic acid, (Z,Z,Z)-|9Z,12Z,15Z-Octadecatrienoic acid|a-Linolenate|a-Linolenic acid|Acide linolenique|acido linolenico, bruto|ALA|All-cis-9,12,15-Octadecatrienoate|all-cis-9,12,15-Octadecatrienoic acid|alpha-Linolenic acid|cis-9,12,15-Octadecatrienoate|cis-9,12,15-Octadecatrienoic acid|cis-9,cis-12,cis-15-Octadecatrienoic acid|cis-Delta(9,12,15)-octadecatrienoic acid|cis-delta9,12,15-Octadecatrienoic acid|cis-D9,12,15-Octadecatrienoic acid|cis,cis,cis-9,12,15-Oct https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025506 https://doi.org/10.22427/NTP-DATA-DTXSID7025506
ARPathway2016 ARPathway2016_154 Linuron 330-55-2 DTXSID2024163 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 20.1949589822769 uM CON(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1 Linuron 330-55-2|Linuron|1-(3,4-Dichlorophenyl)-3-methoxy-3-methylurea|1-(3,4-Dichlorophenyl)3-methoxy-3-methyluree|1-Methoxy-1-methyl-3-(3,4-dichlorophenyl)urea|3-(3,4-Dichloor-fenyl)-1-methoxy-1-methylureum|3-(3,4-Dichlor-phenyl)-1-methoxy-1-methyl-harnstoff|3-(3,4-Dichloro-fenil)-1-metossi-1-metil-urea|3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea|3-(3,4-Dichlorophenyl)-1-methyl-1-methoxyurea|3-(3,4-Dicloro-fenil)-1-metossi-1-metil-urea|3-(3',4'-Dichlorophenyl)-1-methoxy-1-methylurea|3-(4,5-Dichlorphenyl)-1-methoxy-1-methylharnstoff|Afalon inuron|Alfalon|Alfalone|Aphalon|BRN 2128725|Caswell No. 528|Cephalon|Certroli-Lin|DPX-Z0326|Du Pont 326|Du Pont Herbicide 326|Dupont herbicide 326|EC No.: 206-356-5|EINECS 206-356-5|EPA Pesticide Chemical Code 035506|Herbicide 326|Linurex|Lorox linuron weed killer|Lorox Weed Killer|Methoxydiuron|N-(3,4-Dichlorophenyl)-N'-methoxy-N'-methylurea|N-(3,4-Dichlorophenyl)-N'-methyl-N'-methoxyurea|N-(3,4-Dwuchlorofenylo)N'-metoksy-N'-metylomocznik|N'-(3,4-dichlorophenyl)-N-methoxy-N-methyl Urea|N'-(3,4-|56645-87-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024163
ARPathway2016 ARPathway2016_154 Linuron 330-55-2 DTXSID2024163 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 14.1225256970213 uM CON(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1 Linuron 330-55-2|Linuron|1-(3,4-Dichlorophenyl)-3-methoxy-3-methylurea|1-(3,4-Dichlorophenyl)3-methoxy-3-methyluree|1-Methoxy-1-methyl-3-(3,4-dichlorophenyl)urea|3-(3,4-Dichloor-fenyl)-1-methoxy-1-methylureum|3-(3,4-Dichlor-phenyl)-1-methoxy-1-methyl-harnstoff|3-(3,4-Dichloro-fenil)-1-metossi-1-metil-urea|3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea|3-(3,4-Dichlorophenyl)-1-methyl-1-methoxyurea|3-(3,4-Dicloro-fenil)-1-metossi-1-metil-urea|3-(3',4'-Dichlorophenyl)-1-methoxy-1-methylurea|3-(4,5-Dichlorphenyl)-1-methoxy-1-methylharnstoff|Afalon inuron|Alfalon|Alfalone|Aphalon|BRN 2128725|Caswell No. 528|Cephalon|Certroli-Lin|DPX-Z0326|Du Pont 326|Du Pont Herbicide 326|Dupont herbicide 326|EC No.: 206-356-5|EINECS 206-356-5|EPA Pesticide Chemical Code 035506|Herbicide 326|Linurex|Lorox linuron weed killer|Lorox Weed Killer|Methoxydiuron|N-(3,4-Dichlorophenyl)-N'-methoxy-N'-methylurea|N-(3,4-Dichlorophenyl)-N'-methyl-N'-methoxyurea|N-(3,4-Dwuchlorofenylo)N'-metoksy-N'-metylomocznik|N'-(3,4-dichlorophenyl)-N-methoxy-N-methyl Urea|N'-(3,4-|56645-87-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024163
ARPathway2016 ARPathway2016_154 Linuron 330-55-2 DTXSID2024163 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.3 Unitless CON(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1 Linuron 330-55-2|Linuron|1-(3,4-Dichlorophenyl)-3-methoxy-3-methylurea|1-(3,4-Dichlorophenyl)3-methoxy-3-methyluree|1-Methoxy-1-methyl-3-(3,4-dichlorophenyl)urea|3-(3,4-Dichloor-fenyl)-1-methoxy-1-methylureum|3-(3,4-Dichlor-phenyl)-1-methoxy-1-methyl-harnstoff|3-(3,4-Dichloro-fenil)-1-metossi-1-metil-urea|3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea|3-(3,4-Dichlorophenyl)-1-methyl-1-methoxyurea|3-(3,4-Dicloro-fenil)-1-metossi-1-metil-urea|3-(3',4'-Dichlorophenyl)-1-methoxy-1-methylurea|3-(4,5-Dichlorphenyl)-1-methoxy-1-methylharnstoff|Afalon inuron|Alfalon|Alfalone|Aphalon|BRN 2128725|Caswell No. 528|Cephalon|Certroli-Lin|DPX-Z0326|Du Pont 326|Du Pont Herbicide 326|Dupont herbicide 326|EC No.: 206-356-5|EINECS 206-356-5|EPA Pesticide Chemical Code 035506|Herbicide 326|Linurex|Lorox linuron weed killer|Lorox Weed Killer|Methoxydiuron|N-(3,4-Dichlorophenyl)-N'-methoxy-N'-methylurea|N-(3,4-Dichlorophenyl)-N'-methyl-N'-methoxyurea|N-(3,4-Dwuchlorofenylo)N'-metoksy-N'-metylomocznik|N'-(3,4-dichlorophenyl)-N-methoxy-N-methyl Urea|N'-(3,4-|56645-87-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024163
ARPathway2016 ARPathway2016_154 Linuron 330-55-2 DTXSID2024163 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CON(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1 Linuron 330-55-2|Linuron|1-(3,4-Dichlorophenyl)-3-methoxy-3-methylurea|1-(3,4-Dichlorophenyl)3-methoxy-3-methyluree|1-Methoxy-1-methyl-3-(3,4-dichlorophenyl)urea|3-(3,4-Dichloor-fenyl)-1-methoxy-1-methylureum|3-(3,4-Dichlor-phenyl)-1-methoxy-1-methyl-harnstoff|3-(3,4-Dichloro-fenil)-1-metossi-1-metil-urea|3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea|3-(3,4-Dichlorophenyl)-1-methyl-1-methoxyurea|3-(3,4-Dicloro-fenil)-1-metossi-1-metil-urea|3-(3',4'-Dichlorophenyl)-1-methoxy-1-methylurea|3-(4,5-Dichlorphenyl)-1-methoxy-1-methylharnstoff|Afalon inuron|Alfalon|Alfalone|Aphalon|BRN 2128725|Caswell No. 528|Cephalon|Certroli-Lin|DPX-Z0326|Du Pont 326|Du Pont Herbicide 326|Dupont herbicide 326|EC No.: 206-356-5|EINECS 206-356-5|EPA Pesticide Chemical Code 035506|Herbicide 326|Linurex|Lorox linuron weed killer|Lorox Weed Killer|Methoxydiuron|N-(3,4-Dichlorophenyl)-N'-methoxy-N'-methylurea|N-(3,4-Dichlorophenyl)-N'-methyl-N'-methoxyurea|N-(3,4-Dwuchlorofenylo)N'-metoksy-N'-metylomocznik|N'-(3,4-dichlorophenyl)-N-methoxy-N-methyl Urea|N'-(3,4-|56645-87-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024163
ARPathway2016 ARPathway2016_154 Linuron 330-55-2 DTXSID2024163 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CON(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1 Linuron 330-55-2|Linuron|1-(3,4-Dichlorophenyl)-3-methoxy-3-methylurea|1-(3,4-Dichlorophenyl)3-methoxy-3-methyluree|1-Methoxy-1-methyl-3-(3,4-dichlorophenyl)urea|3-(3,4-Dichloor-fenyl)-1-methoxy-1-methylureum|3-(3,4-Dichlor-phenyl)-1-methoxy-1-methyl-harnstoff|3-(3,4-Dichloro-fenil)-1-metossi-1-metil-urea|3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea|3-(3,4-Dichlorophenyl)-1-methyl-1-methoxyurea|3-(3,4-Dicloro-fenil)-1-metossi-1-metil-urea|3-(3',4'-Dichlorophenyl)-1-methoxy-1-methylurea|3-(4,5-Dichlorphenyl)-1-methoxy-1-methylharnstoff|Afalon inuron|Alfalon|Alfalone|Aphalon|BRN 2128725|Caswell No. 528|Cephalon|Certroli-Lin|DPX-Z0326|Du Pont 326|Du Pont Herbicide 326|Dupont herbicide 326|EC No.: 206-356-5|EINECS 206-356-5|EPA Pesticide Chemical Code 035506|Herbicide 326|Linurex|Lorox linuron weed killer|Lorox Weed Killer|Methoxydiuron|N-(3,4-Dichlorophenyl)-N'-methoxy-N'-methylurea|N-(3,4-Dichlorophenyl)-N'-methyl-N'-methoxyurea|N-(3,4-Dwuchlorofenylo)N'-metoksy-N'-metylomocznik|N'-(3,4-dichlorophenyl)-N-methoxy-N-methyl Urea|N'-(3,4-|56645-87-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024163
ARPathway2016 ARPathway2016_154 Linuron 330-55-2 DTXSID2024163 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CON(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1 Linuron 330-55-2|Linuron|1-(3,4-Dichlorophenyl)-3-methoxy-3-methylurea|1-(3,4-Dichlorophenyl)3-methoxy-3-methyluree|1-Methoxy-1-methyl-3-(3,4-dichlorophenyl)urea|3-(3,4-Dichloor-fenyl)-1-methoxy-1-methylureum|3-(3,4-Dichlor-phenyl)-1-methoxy-1-methyl-harnstoff|3-(3,4-Dichloro-fenil)-1-metossi-1-metil-urea|3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea|3-(3,4-Dichlorophenyl)-1-methyl-1-methoxyurea|3-(3,4-Dicloro-fenil)-1-metossi-1-metil-urea|3-(3',4'-Dichlorophenyl)-1-methoxy-1-methylurea|3-(4,5-Dichlorphenyl)-1-methoxy-1-methylharnstoff|Afalon inuron|Alfalon|Alfalone|Aphalon|BRN 2128725|Caswell No. 528|Cephalon|Certroli-Lin|DPX-Z0326|Du Pont 326|Du Pont Herbicide 326|Dupont herbicide 326|EC No.: 206-356-5|EINECS 206-356-5|EPA Pesticide Chemical Code 035506|Herbicide 326|Linurex|Lorox linuron weed killer|Lorox Weed Killer|Methoxydiuron|N-(3,4-Dichlorophenyl)-N'-methoxy-N'-methylurea|N-(3,4-Dichlorophenyl)-N'-methyl-N'-methoxyurea|N-(3,4-Dwuchlorofenylo)N'-metoksy-N'-metylomocznik|N'-(3,4-dichlorophenyl)-N-methoxy-N-methyl Urea|N'-(3,4-|56645-87-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024163
ERPathway2016 ERPathway2016_1453 Linuron 330-55-2 DTXSID2024163 ER Pathway Model, Agonist Model Score 0 Unitless CON(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1 Linuron 330-55-2|Linuron|1-(3,4-Dichlorophenyl)-3-methoxy-3-methylurea|1-(3,4-Dichlorophenyl)3-methoxy-3-methyluree|1-Methoxy-1-methyl-3-(3,4-dichlorophenyl)urea|3-(3,4-Dichloor-fenyl)-1-methoxy-1-methylureum|3-(3,4-Dichlor-phenyl)-1-methoxy-1-methyl-harnstoff|3-(3,4-Dichloro-fenil)-1-metossi-1-metil-urea|3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea|3-(3,4-Dichlorophenyl)-1-methyl-1-methoxyurea|3-(3,4-Dicloro-fenil)-1-metossi-1-metil-urea|3-(3',4'-Dichlorophenyl)-1-methoxy-1-methylurea|3-(4,5-Dichlorphenyl)-1-methoxy-1-methylharnstoff|Afalon inuron|Alfalon|Alfalone|Aphalon|BRN 2128725|Caswell No. 528|Cephalon|Certroli-Lin|DPX-Z0326|Du Pont 326|Du Pont Herbicide 326|Dupont herbicide 326|EC No.: 206-356-5|EINECS 206-356-5|EPA Pesticide Chemical Code 035506|Herbicide 326|Linurex|Lorox linuron weed killer|Lorox Weed Killer|Methoxydiuron|N-(3,4-Dichlorophenyl)-N'-methoxy-N'-methylurea|N-(3,4-Dichlorophenyl)-N'-methyl-N'-methoxyurea|N-(3,4-Dwuchlorofenylo)N'-metoksy-N'-metylomocznik|N'-(3,4-dichlorophenyl)-N-methoxy-N-methyl Urea|N'-(3,4-|56645-87-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024163
ERPathway2016 ERPathway2016_1453 Linuron 330-55-2 DTXSID2024163 ER Pathway Model, Antagonist Model Score 0 Unitless CON(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1 Linuron 330-55-2|Linuron|1-(3,4-Dichlorophenyl)-3-methoxy-3-methylurea|1-(3,4-Dichlorophenyl)3-methoxy-3-methyluree|1-Methoxy-1-methyl-3-(3,4-dichlorophenyl)urea|3-(3,4-Dichloor-fenyl)-1-methoxy-1-methylureum|3-(3,4-Dichlor-phenyl)-1-methoxy-1-methyl-harnstoff|3-(3,4-Dichloro-fenil)-1-metossi-1-metil-urea|3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea|3-(3,4-Dichlorophenyl)-1-methyl-1-methoxyurea|3-(3,4-Dicloro-fenil)-1-metossi-1-metil-urea|3-(3',4'-Dichlorophenyl)-1-methoxy-1-methylurea|3-(4,5-Dichlorphenyl)-1-methoxy-1-methylharnstoff|Afalon inuron|Alfalon|Alfalone|Aphalon|BRN 2128725|Caswell No. 528|Cephalon|Certroli-Lin|DPX-Z0326|Du Pont 326|Du Pont Herbicide 326|Dupont herbicide 326|EC No.: 206-356-5|EINECS 206-356-5|EPA Pesticide Chemical Code 035506|Herbicide 326|Linurex|Lorox linuron weed killer|Lorox Weed Killer|Methoxydiuron|N-(3,4-Dichlorophenyl)-N'-methoxy-N'-methylurea|N-(3,4-Dichlorophenyl)-N'-methyl-N'-methoxyurea|N-(3,4-Dwuchlorofenylo)N'-metoksy-N'-metylomocznik|N'-(3,4-dichlorophenyl)-N-methoxy-N-methyl Urea|N'-(3,4-|56645-87-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024163
ERPathway2016 ERPathway2016_1453 Linuron 330-55-2 DTXSID2024163 ER Pathway Model, Agonist Call Inactive Unitless CON(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1 Linuron 330-55-2|Linuron|1-(3,4-Dichlorophenyl)-3-methoxy-3-methylurea|1-(3,4-Dichlorophenyl)3-methoxy-3-methyluree|1-Methoxy-1-methyl-3-(3,4-dichlorophenyl)urea|3-(3,4-Dichloor-fenyl)-1-methoxy-1-methylureum|3-(3,4-Dichlor-phenyl)-1-methoxy-1-methyl-harnstoff|3-(3,4-Dichloro-fenil)-1-metossi-1-metil-urea|3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea|3-(3,4-Dichlorophenyl)-1-methyl-1-methoxyurea|3-(3,4-Dicloro-fenil)-1-metossi-1-metil-urea|3-(3',4'-Dichlorophenyl)-1-methoxy-1-methylurea|3-(4,5-Dichlorphenyl)-1-methoxy-1-methylharnstoff|Afalon inuron|Alfalon|Alfalone|Aphalon|BRN 2128725|Caswell No. 528|Cephalon|Certroli-Lin|DPX-Z0326|Du Pont 326|Du Pont Herbicide 326|Dupont herbicide 326|EC No.: 206-356-5|EINECS 206-356-5|EPA Pesticide Chemical Code 035506|Herbicide 326|Linurex|Lorox linuron weed killer|Lorox Weed Killer|Methoxydiuron|N-(3,4-Dichlorophenyl)-N'-methoxy-N'-methylurea|N-(3,4-Dichlorophenyl)-N'-methyl-N'-methoxyurea|N-(3,4-Dwuchlorofenylo)N'-metoksy-N'-metylomocznik|N'-(3,4-dichlorophenyl)-N-methoxy-N-methyl Urea|N'-(3,4-|56645-87-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024163
ERPathway2016 ERPathway2016_1453 Linuron 330-55-2 DTXSID2024163 ER Pathway Model, Antagonist Call Inactive Unitless CON(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1 Linuron 330-55-2|Linuron|1-(3,4-Dichlorophenyl)-3-methoxy-3-methylurea|1-(3,4-Dichlorophenyl)3-methoxy-3-methyluree|1-Methoxy-1-methyl-3-(3,4-dichlorophenyl)urea|3-(3,4-Dichloor-fenyl)-1-methoxy-1-methylureum|3-(3,4-Dichlor-phenyl)-1-methoxy-1-methyl-harnstoff|3-(3,4-Dichloro-fenil)-1-metossi-1-metil-urea|3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea|3-(3,4-Dichlorophenyl)-1-methyl-1-methoxyurea|3-(3,4-Dicloro-fenil)-1-metossi-1-metil-urea|3-(3',4'-Dichlorophenyl)-1-methoxy-1-methylurea|3-(4,5-Dichlorphenyl)-1-methoxy-1-methylharnstoff|Afalon inuron|Alfalon|Alfalone|Aphalon|BRN 2128725|Caswell No. 528|Cephalon|Certroli-Lin|DPX-Z0326|Du Pont 326|Du Pont Herbicide 326|Dupont herbicide 326|EC No.: 206-356-5|EINECS 206-356-5|EPA Pesticide Chemical Code 035506|Herbicide 326|Linurex|Lorox linuron weed killer|Lorox Weed Killer|Methoxydiuron|N-(3,4-Dichlorophenyl)-N'-methoxy-N'-methylurea|N-(3,4-Dichlorophenyl)-N'-methyl-N'-methoxyurea|N-(3,4-Dwuchlorofenylo)N'-metoksy-N'-metylomocznik|N'-(3,4-dichlorophenyl)-N-methoxy-N-methyl Urea|N'-(3,4-|56645-87-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024163
ARPathway2016 ARPathway2016_269 Lovastatin 75330-75-5 DTXSID5020784 1.0 Antagonist AR Pathway Model, Agonist AC50 11.9025552734412 uM [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC Lovastatin 75330-75-5|Lovastatin|(+)-Mevinolin|(1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-2-Methylbutanoic acid 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester|(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate|1,2,6,7,8,8a-Hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutyoxy)-1-naphthaleneheptanoic acid delta-lactone|2beta,6alpha-Dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone|6-alpha-Methylcompactin|6alpha-Methylcompactin|6a-Methylcompactin|Altocor|Altoprev|Antibiotic MB 530B|BRN 3631989|Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-|Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a(R*),3a,7b,8b(2S*,4S*),8ab]]-|Cholestr|71949-96-7|74133-25-8|81739-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020784
ARPathway2016 ARPathway2016_269 Lovastatin 75330-75-5 DTXSID5020784 1.0 Antagonist AR Pathway Model, Agonist ACC 49.8104110615412 uM [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC Lovastatin 75330-75-5|Lovastatin|(+)-Mevinolin|(1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-2-Methylbutanoic acid 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester|(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate|1,2,6,7,8,8a-Hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutyoxy)-1-naphthaleneheptanoic acid delta-lactone|2beta,6alpha-Dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone|6-alpha-Methylcompactin|6alpha-Methylcompactin|6a-Methylcompactin|Altocor|Altoprev|Antibiotic MB 530B|BRN 3631989|Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-|Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a(R*),3a,7b,8b(2S*,4S*),8ab]]-|Cholestr|71949-96-7|74133-25-8|81739-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020784
ARPathway2016 ARPathway2016_269 Lovastatin 75330-75-5 DTXSID5020784 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0659 Unitless [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC Lovastatin 75330-75-5|Lovastatin|(+)-Mevinolin|(1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-2-Methylbutanoic acid 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester|(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate|1,2,6,7,8,8a-Hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutyoxy)-1-naphthaleneheptanoic acid delta-lactone|2beta,6alpha-Dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone|6-alpha-Methylcompactin|6alpha-Methylcompactin|6a-Methylcompactin|Altocor|Altoprev|Antibiotic MB 530B|BRN 3631989|Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-|Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a(R*),3a,7b,8b(2S*,4S*),8ab]]-|Cholestr|71949-96-7|74133-25-8|81739-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020784
ARPathway2016 ARPathway2016_269 Lovastatin 75330-75-5 DTXSID5020784 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC Lovastatin 75330-75-5|Lovastatin|(+)-Mevinolin|(1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-2-Methylbutanoic acid 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester|(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate|1,2,6,7,8,8a-Hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutyoxy)-1-naphthaleneheptanoic acid delta-lactone|2beta,6alpha-Dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone|6-alpha-Methylcompactin|6alpha-Methylcompactin|6a-Methylcompactin|Altocor|Altoprev|Antibiotic MB 530B|BRN 3631989|Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-|Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a(R*),3a,7b,8b(2S*,4S*),8ab]]-|Cholestr|71949-96-7|74133-25-8|81739-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020784
ARPathway2016 ARPathway2016_269 Lovastatin 75330-75-5 DTXSID5020784 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC Lovastatin 75330-75-5|Lovastatin|(+)-Mevinolin|(1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-2-Methylbutanoic acid 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester|(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate|1,2,6,7,8,8a-Hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutyoxy)-1-naphthaleneheptanoic acid delta-lactone|2beta,6alpha-Dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone|6-alpha-Methylcompactin|6alpha-Methylcompactin|6a-Methylcompactin|Altocor|Altoprev|Antibiotic MB 530B|BRN 3631989|Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-|Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a(R*),3a,7b,8b(2S*,4S*),8ab]]-|Cholestr|71949-96-7|74133-25-8|81739-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020784
ARPathway2016 ARPathway2016_269 Lovastatin 75330-75-5 DTXSID5020784 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC Lovastatin 75330-75-5|Lovastatin|(+)-Mevinolin|(1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-2-Methylbutanoic acid 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester|(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate|1,2,6,7,8,8a-Hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutyoxy)-1-naphthaleneheptanoic acid delta-lactone|2beta,6alpha-Dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone|6-alpha-Methylcompactin|6alpha-Methylcompactin|6a-Methylcompactin|Altocor|Altoprev|Antibiotic MB 530B|BRN 3631989|Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-|Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a(R*),3a,7b,8b(2S*,4S*),8ab]]-|Cholestr|71949-96-7|74133-25-8|81739-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020784
ERPathway2016 ERPathway2016_520 Lovastatin 75330-75-5 DTXSID5020784 R6 ER Pathway Model, Agonist Model Score 0 Unitless [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC Lovastatin 75330-75-5|Lovastatin|(+)-Mevinolin|(1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-2-Methylbutanoic acid 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester|(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate|1,2,6,7,8,8a-Hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutyoxy)-1-naphthaleneheptanoic acid delta-lactone|2beta,6alpha-Dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone|6-alpha-Methylcompactin|6alpha-Methylcompactin|6a-Methylcompactin|Altocor|Altoprev|Antibiotic MB 530B|BRN 3631989|Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-|Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a(R*),3a,7b,8b(2S*,4S*),8ab]]-|Cholestr|71949-96-7|74133-25-8|81739-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020784
ERPathway2016 ERPathway2016_520 Lovastatin 75330-75-5 DTXSID5020784 R6 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC Lovastatin 75330-75-5|Lovastatin|(+)-Mevinolin|(1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-2-Methylbutanoic acid 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester|(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate|1,2,6,7,8,8a-Hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutyoxy)-1-naphthaleneheptanoic acid delta-lactone|2beta,6alpha-Dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone|6-alpha-Methylcompactin|6alpha-Methylcompactin|6a-Methylcompactin|Altocor|Altoprev|Antibiotic MB 530B|BRN 3631989|Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-|Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a(R*),3a,7b,8b(2S*,4S*),8ab]]-|Cholestr|71949-96-7|74133-25-8|81739-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020784
ERPathway2016 ERPathway2016_520 Lovastatin 75330-75-5 DTXSID5020784 R6 ER Pathway Model, Agonist Call Inactive Unitless [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC Lovastatin 75330-75-5|Lovastatin|(+)-Mevinolin|(1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-2-Methylbutanoic acid 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester|(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate|1,2,6,7,8,8a-Hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutyoxy)-1-naphthaleneheptanoic acid delta-lactone|2beta,6alpha-Dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone|6-alpha-Methylcompactin|6alpha-Methylcompactin|6a-Methylcompactin|Altocor|Altoprev|Antibiotic MB 530B|BRN 3631989|Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-|Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a(R*),3a,7b,8b(2S*,4S*),8ab]]-|Cholestr|71949-96-7|74133-25-8|81739-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020784
ERPathway2016 ERPathway2016_520 Lovastatin 75330-75-5 DTXSID5020784 R6 ER Pathway Model, Antagonist Call Inactive Unitless [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC Lovastatin 75330-75-5|Lovastatin|(+)-Mevinolin|(1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-2-Methylbutanoic acid 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester|(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate|1,2,6,7,8,8a-Hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutyoxy)-1-naphthaleneheptanoic acid delta-lactone|2beta,6alpha-Dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone|6-alpha-Methylcompactin|6alpha-Methylcompactin|6a-Methylcompactin|Altocor|Altoprev|Antibiotic MB 530B|BRN 3631989|Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-|Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a(R*),3a,7b,8b(2S*,4S*),8ab]]-|Cholestr|71949-96-7|74133-25-8|81739-26-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020784
ARPathway2016 ARPathway2016_1668 L-Tartaric acid 87-69-4 DTXSID8023632 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O[C@H]([C@@H](O)C(O)=O)C(O)=O L-Tartaric acid 87-69-4|L-Tartaric acid|(+)-(2R,3R)-Tartaric acid|(+)-(R,R)-Tartaric acid|(+)-L-Tartaric acid|(+)-tartarate|(+)-tartaric acid|(+)-Weinsaeure|(+)-Weinsaure|(1R,2R)-1,2-Dihydroxyethane-1,2-dicarboxylic acid|(2R,3R)-(+)-Tartaric acid|(2R,3R)-2,3-Dihydroxybernsteinsaeure|(2R,3R)-2,3-dihydroxybutanedioate|(2R,3R)-2,3-Dihydroxysuccinic acid|(2R,3R)-2,3-tartaric acid|(2R,3R)-Tartarate|(2R,3R)-Tartaric acid|(R,R)-(+)-Tartaric acid|(R,R)-tartarate|(R,R)-Tartaric acid|1,2-Dihydroxyethane-1,2-dicarboxylic acid|2,3-Dihydroxy-succinate|2,3-Dihydroxy-succinic acid|2,3-Dihydroxybutanedioate|2,3-Dihydroxybutanedioic acid|2,3-Dihydroxysuccinic acid|2R,3R-Tartaric acid|Acide (+)-tartrique|acido (+)-tartarico|BUTANEDIOIC ACID, 2,3-DIHYDROXY-|Butanedioic acid, 2,3-dihydroxy- (2R,3R)-|Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-|Butanedioic acid, 2,3-dihydroxy-, [R-(R*,R*)]-|Butanedioic acid, 2,3-dihydroxy-[R-(R*,R*)]-|D-a,b-Dihydroxysuccinic acid|d-alpha,beta-Dihydroxysuccinic acid|D-Tartaric acid|d-a,b-Dihydroxysuccinic acid|Dextrotartaric acid|DIH|1039646-76-8|1334703-49-9|1336-18-1|8014-54-8|8059-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023632
ARPathway2016 ARPathway2016_1668 L-Tartaric acid 87-69-4 DTXSID8023632 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O[C@H]([C@@H](O)C(O)=O)C(O)=O L-Tartaric acid 87-69-4|L-Tartaric acid|(+)-(2R,3R)-Tartaric acid|(+)-(R,R)-Tartaric acid|(+)-L-Tartaric acid|(+)-tartarate|(+)-tartaric acid|(+)-Weinsaeure|(+)-Weinsaure|(1R,2R)-1,2-Dihydroxyethane-1,2-dicarboxylic acid|(2R,3R)-(+)-Tartaric acid|(2R,3R)-2,3-Dihydroxybernsteinsaeure|(2R,3R)-2,3-dihydroxybutanedioate|(2R,3R)-2,3-Dihydroxysuccinic acid|(2R,3R)-2,3-tartaric acid|(2R,3R)-Tartarate|(2R,3R)-Tartaric acid|(R,R)-(+)-Tartaric acid|(R,R)-tartarate|(R,R)-Tartaric acid|1,2-Dihydroxyethane-1,2-dicarboxylic acid|2,3-Dihydroxy-succinate|2,3-Dihydroxy-succinic acid|2,3-Dihydroxybutanedioate|2,3-Dihydroxybutanedioic acid|2,3-Dihydroxysuccinic acid|2R,3R-Tartaric acid|Acide (+)-tartrique|acido (+)-tartarico|BUTANEDIOIC ACID, 2,3-DIHYDROXY-|Butanedioic acid, 2,3-dihydroxy- (2R,3R)-|Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-|Butanedioic acid, 2,3-dihydroxy-, [R-(R*,R*)]-|Butanedioic acid, 2,3-dihydroxy-[R-(R*,R*)]-|D-a,b-Dihydroxysuccinic acid|d-alpha,beta-Dihydroxysuccinic acid|D-Tartaric acid|d-a,b-Dihydroxysuccinic acid|Dextrotartaric acid|DIH|1039646-76-8|1334703-49-9|1336-18-1|8014-54-8|8059-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023632
ARPathway2016 ARPathway2016_1668 L-Tartaric acid 87-69-4 DTXSID8023632 0.0 AR Pathway Model, Agonist Call Inactive Unitless O[C@H]([C@@H](O)C(O)=O)C(O)=O L-Tartaric acid 87-69-4|L-Tartaric acid|(+)-(2R,3R)-Tartaric acid|(+)-(R,R)-Tartaric acid|(+)-L-Tartaric acid|(+)-tartarate|(+)-tartaric acid|(+)-Weinsaeure|(+)-Weinsaure|(1R,2R)-1,2-Dihydroxyethane-1,2-dicarboxylic acid|(2R,3R)-(+)-Tartaric acid|(2R,3R)-2,3-Dihydroxybernsteinsaeure|(2R,3R)-2,3-dihydroxybutanedioate|(2R,3R)-2,3-Dihydroxysuccinic acid|(2R,3R)-2,3-tartaric acid|(2R,3R)-Tartarate|(2R,3R)-Tartaric acid|(R,R)-(+)-Tartaric acid|(R,R)-tartarate|(R,R)-Tartaric acid|1,2-Dihydroxyethane-1,2-dicarboxylic acid|2,3-Dihydroxy-succinate|2,3-Dihydroxy-succinic acid|2,3-Dihydroxybutanedioate|2,3-Dihydroxybutanedioic acid|2,3-Dihydroxysuccinic acid|2R,3R-Tartaric acid|Acide (+)-tartrique|acido (+)-tartarico|BUTANEDIOIC ACID, 2,3-DIHYDROXY-|Butanedioic acid, 2,3-dihydroxy- (2R,3R)-|Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-|Butanedioic acid, 2,3-dihydroxy-, [R-(R*,R*)]-|Butanedioic acid, 2,3-dihydroxy-[R-(R*,R*)]-|D-a,b-Dihydroxysuccinic acid|d-alpha,beta-Dihydroxysuccinic acid|D-Tartaric acid|d-a,b-Dihydroxysuccinic acid|Dextrotartaric acid|DIH|1039646-76-8|1334703-49-9|1336-18-1|8014-54-8|8059-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023632
ARPathway2016 ARPathway2016_1668 L-Tartaric acid 87-69-4 DTXSID8023632 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O[C@H]([C@@H](O)C(O)=O)C(O)=O L-Tartaric acid 87-69-4|L-Tartaric acid|(+)-(2R,3R)-Tartaric acid|(+)-(R,R)-Tartaric acid|(+)-L-Tartaric acid|(+)-tartarate|(+)-tartaric acid|(+)-Weinsaeure|(+)-Weinsaure|(1R,2R)-1,2-Dihydroxyethane-1,2-dicarboxylic acid|(2R,3R)-(+)-Tartaric acid|(2R,3R)-2,3-Dihydroxybernsteinsaeure|(2R,3R)-2,3-dihydroxybutanedioate|(2R,3R)-2,3-Dihydroxysuccinic acid|(2R,3R)-2,3-tartaric acid|(2R,3R)-Tartarate|(2R,3R)-Tartaric acid|(R,R)-(+)-Tartaric acid|(R,R)-tartarate|(R,R)-Tartaric acid|1,2-Dihydroxyethane-1,2-dicarboxylic acid|2,3-Dihydroxy-succinate|2,3-Dihydroxy-succinic acid|2,3-Dihydroxybutanedioate|2,3-Dihydroxybutanedioic acid|2,3-Dihydroxysuccinic acid|2R,3R-Tartaric acid|Acide (+)-tartrique|acido (+)-tartarico|BUTANEDIOIC ACID, 2,3-DIHYDROXY-|Butanedioic acid, 2,3-dihydroxy- (2R,3R)-|Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-|Butanedioic acid, 2,3-dihydroxy-, [R-(R*,R*)]-|Butanedioic acid, 2,3-dihydroxy-[R-(R*,R*)]-|D-a,b-Dihydroxysuccinic acid|d-alpha,beta-Dihydroxysuccinic acid|D-Tartaric acid|d-a,b-Dihydroxysuccinic acid|Dextrotartaric acid|DIH|1039646-76-8|1334703-49-9|1336-18-1|8014-54-8|8059-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023632
ERPathway2016 ERPathway2016_1718 L-Tartaric acid 87-69-4 DTXSID8023632 ER Pathway Model, Agonist Model Score 0 Unitless O[C@H]([C@@H](O)C(O)=O)C(O)=O L-Tartaric acid 87-69-4|L-Tartaric acid|(+)-(2R,3R)-Tartaric acid|(+)-(R,R)-Tartaric acid|(+)-L-Tartaric acid|(+)-tartarate|(+)-tartaric acid|(+)-Weinsaeure|(+)-Weinsaure|(1R,2R)-1,2-Dihydroxyethane-1,2-dicarboxylic acid|(2R,3R)-(+)-Tartaric acid|(2R,3R)-2,3-Dihydroxybernsteinsaeure|(2R,3R)-2,3-dihydroxybutanedioate|(2R,3R)-2,3-Dihydroxysuccinic acid|(2R,3R)-2,3-tartaric acid|(2R,3R)-Tartarate|(2R,3R)-Tartaric acid|(R,R)-(+)-Tartaric acid|(R,R)-tartarate|(R,R)-Tartaric acid|1,2-Dihydroxyethane-1,2-dicarboxylic acid|2,3-Dihydroxy-succinate|2,3-Dihydroxy-succinic acid|2,3-Dihydroxybutanedioate|2,3-Dihydroxybutanedioic acid|2,3-Dihydroxysuccinic acid|2R,3R-Tartaric acid|Acide (+)-tartrique|acido (+)-tartarico|BUTANEDIOIC ACID, 2,3-DIHYDROXY-|Butanedioic acid, 2,3-dihydroxy- (2R,3R)-|Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-|Butanedioic acid, 2,3-dihydroxy-, [R-(R*,R*)]-|Butanedioic acid, 2,3-dihydroxy-[R-(R*,R*)]-|D-a,b-Dihydroxysuccinic acid|d-alpha,beta-Dihydroxysuccinic acid|D-Tartaric acid|d-a,b-Dihydroxysuccinic acid|Dextrotartaric acid|DIH|1039646-76-8|1334703-49-9|1336-18-1|8014-54-8|8059-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023632
ERPathway2016 ERPathway2016_1718 L-Tartaric acid 87-69-4 DTXSID8023632 ER Pathway Model, Antagonist Model Score 0 Unitless O[C@H]([C@@H](O)C(O)=O)C(O)=O L-Tartaric acid 87-69-4|L-Tartaric acid|(+)-(2R,3R)-Tartaric acid|(+)-(R,R)-Tartaric acid|(+)-L-Tartaric acid|(+)-tartarate|(+)-tartaric acid|(+)-Weinsaeure|(+)-Weinsaure|(1R,2R)-1,2-Dihydroxyethane-1,2-dicarboxylic acid|(2R,3R)-(+)-Tartaric acid|(2R,3R)-2,3-Dihydroxybernsteinsaeure|(2R,3R)-2,3-dihydroxybutanedioate|(2R,3R)-2,3-Dihydroxysuccinic acid|(2R,3R)-2,3-tartaric acid|(2R,3R)-Tartarate|(2R,3R)-Tartaric acid|(R,R)-(+)-Tartaric acid|(R,R)-tartarate|(R,R)-Tartaric acid|1,2-Dihydroxyethane-1,2-dicarboxylic acid|2,3-Dihydroxy-succinate|2,3-Dihydroxy-succinic acid|2,3-Dihydroxybutanedioate|2,3-Dihydroxybutanedioic acid|2,3-Dihydroxysuccinic acid|2R,3R-Tartaric acid|Acide (+)-tartrique|acido (+)-tartarico|BUTANEDIOIC ACID, 2,3-DIHYDROXY-|Butanedioic acid, 2,3-dihydroxy- (2R,3R)-|Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-|Butanedioic acid, 2,3-dihydroxy-, [R-(R*,R*)]-|Butanedioic acid, 2,3-dihydroxy-[R-(R*,R*)]-|D-a,b-Dihydroxysuccinic acid|d-alpha,beta-Dihydroxysuccinic acid|D-Tartaric acid|d-a,b-Dihydroxysuccinic acid|Dextrotartaric acid|DIH|1039646-76-8|1334703-49-9|1336-18-1|8014-54-8|8059-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023632
ERPathway2016 ERPathway2016_1718 L-Tartaric acid 87-69-4 DTXSID8023632 ER Pathway Model, Agonist Call Inactive Unitless O[C@H]([C@@H](O)C(O)=O)C(O)=O L-Tartaric acid 87-69-4|L-Tartaric acid|(+)-(2R,3R)-Tartaric acid|(+)-(R,R)-Tartaric acid|(+)-L-Tartaric acid|(+)-tartarate|(+)-tartaric acid|(+)-Weinsaeure|(+)-Weinsaure|(1R,2R)-1,2-Dihydroxyethane-1,2-dicarboxylic acid|(2R,3R)-(+)-Tartaric acid|(2R,3R)-2,3-Dihydroxybernsteinsaeure|(2R,3R)-2,3-dihydroxybutanedioate|(2R,3R)-2,3-Dihydroxysuccinic acid|(2R,3R)-2,3-tartaric acid|(2R,3R)-Tartarate|(2R,3R)-Tartaric acid|(R,R)-(+)-Tartaric acid|(R,R)-tartarate|(R,R)-Tartaric acid|1,2-Dihydroxyethane-1,2-dicarboxylic acid|2,3-Dihydroxy-succinate|2,3-Dihydroxy-succinic acid|2,3-Dihydroxybutanedioate|2,3-Dihydroxybutanedioic acid|2,3-Dihydroxysuccinic acid|2R,3R-Tartaric acid|Acide (+)-tartrique|acido (+)-tartarico|BUTANEDIOIC ACID, 2,3-DIHYDROXY-|Butanedioic acid, 2,3-dihydroxy- (2R,3R)-|Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-|Butanedioic acid, 2,3-dihydroxy-, [R-(R*,R*)]-|Butanedioic acid, 2,3-dihydroxy-[R-(R*,R*)]-|D-a,b-Dihydroxysuccinic acid|d-alpha,beta-Dihydroxysuccinic acid|D-Tartaric acid|d-a,b-Dihydroxysuccinic acid|Dextrotartaric acid|DIH|1039646-76-8|1334703-49-9|1336-18-1|8014-54-8|8059-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023632
ERPathway2016 ERPathway2016_1718 L-Tartaric acid 87-69-4 DTXSID8023632 ER Pathway Model, Antagonist Call Inactive Unitless O[C@H]([C@@H](O)C(O)=O)C(O)=O L-Tartaric acid 87-69-4|L-Tartaric acid|(+)-(2R,3R)-Tartaric acid|(+)-(R,R)-Tartaric acid|(+)-L-Tartaric acid|(+)-tartarate|(+)-tartaric acid|(+)-Weinsaeure|(+)-Weinsaure|(1R,2R)-1,2-Dihydroxyethane-1,2-dicarboxylic acid|(2R,3R)-(+)-Tartaric acid|(2R,3R)-2,3-Dihydroxybernsteinsaeure|(2R,3R)-2,3-dihydroxybutanedioate|(2R,3R)-2,3-Dihydroxysuccinic acid|(2R,3R)-2,3-tartaric acid|(2R,3R)-Tartarate|(2R,3R)-Tartaric acid|(R,R)-(+)-Tartaric acid|(R,R)-tartarate|(R,R)-Tartaric acid|1,2-Dihydroxyethane-1,2-dicarboxylic acid|2,3-Dihydroxy-succinate|2,3-Dihydroxy-succinic acid|2,3-Dihydroxybutanedioate|2,3-Dihydroxybutanedioic acid|2,3-Dihydroxysuccinic acid|2R,3R-Tartaric acid|Acide (+)-tartrique|acido (+)-tartarico|BUTANEDIOIC ACID, 2,3-DIHYDROXY-|Butanedioic acid, 2,3-dihydroxy- (2R,3R)-|Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-|Butanedioic acid, 2,3-dihydroxy-, [R-(R*,R*)]-|Butanedioic acid, 2,3-dihydroxy-[R-(R*,R*)]-|D-a,b-Dihydroxysuccinic acid|d-alpha,beta-Dihydroxysuccinic acid|D-Tartaric acid|d-a,b-Dihydroxysuccinic acid|Dextrotartaric acid|DIH|1039646-76-8|1334703-49-9|1336-18-1|8014-54-8|8059-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023632
ARPathway2016 ARPathway2016_1518 L-Tryptophan 73-22-3 DTXSID5021419 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O L-Tryptophan 73-22-3|L-Tryptophan|(-)-Tryptophan|(2S)-2-Amino-3-(1H-indol-3-yl)propanoic acid|(L)-tryptophan|(S)-1H-Indole-3-alanine|(S)-2-Amino-3-(1H-indol-3-yl)propanoic acid|(S)-2-AMINO-3-(3-INDOLYL)PROPIONIC ACID|(S)-a-Amino-1H-indole-3-propanoic acid|(S)-a-amino-b-indolepropionic acid|(S)-a-Aminoindole-3-propionic acid|(S)-alpha-amino-1H-indole-3-propanoic acid|(S)-alpha-amino-beta-indolepropionic acid|(S)-alpha-Aminoindole-3-propionic acid|(S)-Tryptophan|(S)-a-Amino-1H-indole-3-propanoic acid|(S)-a-Amino-b-indolepropionic acid|(S)-a-Aminoindole-3-propionic acid|1-beta-3-Indolylalanine|1beta-3-Indolylalanine|1H-Indole-3-alanine, (S)-|1H-Indole-3-propanoic acid, alpha-amino-, (S)-|1H-Indole-3-propanoic acid, a-amino-, (S)-|2-Amino-3-indolylpropanoic acid|3-(1H-Indol-3-yl)-L-Alanine|3-Indol-3-ylalanine|Alanine, 3-indol-3-yl-|alpha-Amino-3-indolepropionic acid, L-|alpha-Aminoindole-3-propionic acid|alpha'-Amino-3-indolepropionic acid|Ardeytropin|EINECS 200-795-6|h-Trp-oh|Indole-3-alanine|Indole-3-propionic acid, alpha-amino-|Kalma|L-(-|154635-35-5|2416148-24-6|6912-86-3|80206-30-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021419 https://doi.org/10.22427/NTP-DATA-DTXSID5021419
ARPathway2016 ARPathway2016_1518 L-Tryptophan 73-22-3 DTXSID5021419 0.0 AR Pathway Model, Agonist Model Score 0 Unitless N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O L-Tryptophan 73-22-3|L-Tryptophan|(-)-Tryptophan|(2S)-2-Amino-3-(1H-indol-3-yl)propanoic acid|(L)-tryptophan|(S)-1H-Indole-3-alanine|(S)-2-Amino-3-(1H-indol-3-yl)propanoic acid|(S)-2-AMINO-3-(3-INDOLYL)PROPIONIC ACID|(S)-a-Amino-1H-indole-3-propanoic acid|(S)-a-amino-b-indolepropionic acid|(S)-a-Aminoindole-3-propionic acid|(S)-alpha-amino-1H-indole-3-propanoic acid|(S)-alpha-amino-beta-indolepropionic acid|(S)-alpha-Aminoindole-3-propionic acid|(S)-Tryptophan|(S)-a-Amino-1H-indole-3-propanoic acid|(S)-a-Amino-b-indolepropionic acid|(S)-a-Aminoindole-3-propionic acid|1-beta-3-Indolylalanine|1beta-3-Indolylalanine|1H-Indole-3-alanine, (S)-|1H-Indole-3-propanoic acid, alpha-amino-, (S)-|1H-Indole-3-propanoic acid, a-amino-, (S)-|2-Amino-3-indolylpropanoic acid|3-(1H-Indol-3-yl)-L-Alanine|3-Indol-3-ylalanine|Alanine, 3-indol-3-yl-|alpha-Amino-3-indolepropionic acid, L-|alpha-Aminoindole-3-propionic acid|alpha'-Amino-3-indolepropionic acid|Ardeytropin|EINECS 200-795-6|h-Trp-oh|Indole-3-alanine|Indole-3-propionic acid, alpha-amino-|Kalma|L-(-|154635-35-5|2416148-24-6|6912-86-3|80206-30-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021419 https://doi.org/10.22427/NTP-DATA-DTXSID5021419
ARPathway2016 ARPathway2016_1518 L-Tryptophan 73-22-3 DTXSID5021419 0.0 AR Pathway Model, Agonist Call Inactive Unitless N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O L-Tryptophan 73-22-3|L-Tryptophan|(-)-Tryptophan|(2S)-2-Amino-3-(1H-indol-3-yl)propanoic acid|(L)-tryptophan|(S)-1H-Indole-3-alanine|(S)-2-Amino-3-(1H-indol-3-yl)propanoic acid|(S)-2-AMINO-3-(3-INDOLYL)PROPIONIC ACID|(S)-a-Amino-1H-indole-3-propanoic acid|(S)-a-amino-b-indolepropionic acid|(S)-a-Aminoindole-3-propionic acid|(S)-alpha-amino-1H-indole-3-propanoic acid|(S)-alpha-amino-beta-indolepropionic acid|(S)-alpha-Aminoindole-3-propionic acid|(S)-Tryptophan|(S)-a-Amino-1H-indole-3-propanoic acid|(S)-a-Amino-b-indolepropionic acid|(S)-a-Aminoindole-3-propionic acid|1-beta-3-Indolylalanine|1beta-3-Indolylalanine|1H-Indole-3-alanine, (S)-|1H-Indole-3-propanoic acid, alpha-amino-, (S)-|1H-Indole-3-propanoic acid, a-amino-, (S)-|2-Amino-3-indolylpropanoic acid|3-(1H-Indol-3-yl)-L-Alanine|3-Indol-3-ylalanine|Alanine, 3-indol-3-yl-|alpha-Amino-3-indolepropionic acid, L-|alpha-Aminoindole-3-propionic acid|alpha'-Amino-3-indolepropionic acid|Ardeytropin|EINECS 200-795-6|h-Trp-oh|Indole-3-alanine|Indole-3-propionic acid, alpha-amino-|Kalma|L-(-|154635-35-5|2416148-24-6|6912-86-3|80206-30-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021419 https://doi.org/10.22427/NTP-DATA-DTXSID5021419
ARPathway2016 ARPathway2016_1518 L-Tryptophan 73-22-3 DTXSID5021419 0.0 AR Pathway Model, Antagonist Call Inactive Unitless N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O L-Tryptophan 73-22-3|L-Tryptophan|(-)-Tryptophan|(2S)-2-Amino-3-(1H-indol-3-yl)propanoic acid|(L)-tryptophan|(S)-1H-Indole-3-alanine|(S)-2-Amino-3-(1H-indol-3-yl)propanoic acid|(S)-2-AMINO-3-(3-INDOLYL)PROPIONIC ACID|(S)-a-Amino-1H-indole-3-propanoic acid|(S)-a-amino-b-indolepropionic acid|(S)-a-Aminoindole-3-propionic acid|(S)-alpha-amino-1H-indole-3-propanoic acid|(S)-alpha-amino-beta-indolepropionic acid|(S)-alpha-Aminoindole-3-propionic acid|(S)-Tryptophan|(S)-a-Amino-1H-indole-3-propanoic acid|(S)-a-Amino-b-indolepropionic acid|(S)-a-Aminoindole-3-propionic acid|1-beta-3-Indolylalanine|1beta-3-Indolylalanine|1H-Indole-3-alanine, (S)-|1H-Indole-3-propanoic acid, alpha-amino-, (S)-|1H-Indole-3-propanoic acid, a-amino-, (S)-|2-Amino-3-indolylpropanoic acid|3-(1H-Indol-3-yl)-L-Alanine|3-Indol-3-ylalanine|Alanine, 3-indol-3-yl-|alpha-Amino-3-indolepropionic acid, L-|alpha-Aminoindole-3-propionic acid|alpha'-Amino-3-indolepropionic acid|Ardeytropin|EINECS 200-795-6|h-Trp-oh|Indole-3-alanine|Indole-3-propionic acid, alpha-amino-|Kalma|L-(-|154635-35-5|2416148-24-6|6912-86-3|80206-30-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021419 https://doi.org/10.22427/NTP-DATA-DTXSID5021419
ERPathway2016 ERPathway2016_1629 L-Tryptophan 73-22-3 DTXSID5021419 ER Pathway Model, Agonist Model Score 0 Unitless N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O L-Tryptophan 73-22-3|L-Tryptophan|(-)-Tryptophan|(2S)-2-Amino-3-(1H-indol-3-yl)propanoic acid|(L)-tryptophan|(S)-1H-Indole-3-alanine|(S)-2-Amino-3-(1H-indol-3-yl)propanoic acid|(S)-2-AMINO-3-(3-INDOLYL)PROPIONIC ACID|(S)-a-Amino-1H-indole-3-propanoic acid|(S)-a-amino-b-indolepropionic acid|(S)-a-Aminoindole-3-propionic acid|(S)-alpha-amino-1H-indole-3-propanoic acid|(S)-alpha-amino-beta-indolepropionic acid|(S)-alpha-Aminoindole-3-propionic acid|(S)-Tryptophan|(S)-a-Amino-1H-indole-3-propanoic acid|(S)-a-Amino-b-indolepropionic acid|(S)-a-Aminoindole-3-propionic acid|1-beta-3-Indolylalanine|1beta-3-Indolylalanine|1H-Indole-3-alanine, (S)-|1H-Indole-3-propanoic acid, alpha-amino-, (S)-|1H-Indole-3-propanoic acid, a-amino-, (S)-|2-Amino-3-indolylpropanoic acid|3-(1H-Indol-3-yl)-L-Alanine|3-Indol-3-ylalanine|Alanine, 3-indol-3-yl-|alpha-Amino-3-indolepropionic acid, L-|alpha-Aminoindole-3-propionic acid|alpha'-Amino-3-indolepropionic acid|Ardeytropin|EINECS 200-795-6|h-Trp-oh|Indole-3-alanine|Indole-3-propionic acid, alpha-amino-|Kalma|L-(-|154635-35-5|2416148-24-6|6912-86-3|80206-30-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021419 https://doi.org/10.22427/NTP-DATA-DTXSID5021419
ERPathway2016 ERPathway2016_1629 L-Tryptophan 73-22-3 DTXSID5021419 ER Pathway Model, Antagonist Model Score 0 Unitless N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O L-Tryptophan 73-22-3|L-Tryptophan|(-)-Tryptophan|(2S)-2-Amino-3-(1H-indol-3-yl)propanoic acid|(L)-tryptophan|(S)-1H-Indole-3-alanine|(S)-2-Amino-3-(1H-indol-3-yl)propanoic acid|(S)-2-AMINO-3-(3-INDOLYL)PROPIONIC ACID|(S)-a-Amino-1H-indole-3-propanoic acid|(S)-a-amino-b-indolepropionic acid|(S)-a-Aminoindole-3-propionic acid|(S)-alpha-amino-1H-indole-3-propanoic acid|(S)-alpha-amino-beta-indolepropionic acid|(S)-alpha-Aminoindole-3-propionic acid|(S)-Tryptophan|(S)-a-Amino-1H-indole-3-propanoic acid|(S)-a-Amino-b-indolepropionic acid|(S)-a-Aminoindole-3-propionic acid|1-beta-3-Indolylalanine|1beta-3-Indolylalanine|1H-Indole-3-alanine, (S)-|1H-Indole-3-propanoic acid, alpha-amino-, (S)-|1H-Indole-3-propanoic acid, a-amino-, (S)-|2-Amino-3-indolylpropanoic acid|3-(1H-Indol-3-yl)-L-Alanine|3-Indol-3-ylalanine|Alanine, 3-indol-3-yl-|alpha-Amino-3-indolepropionic acid, L-|alpha-Aminoindole-3-propionic acid|alpha'-Amino-3-indolepropionic acid|Ardeytropin|EINECS 200-795-6|h-Trp-oh|Indole-3-alanine|Indole-3-propionic acid, alpha-amino-|Kalma|L-(-|154635-35-5|2416148-24-6|6912-86-3|80206-30-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021419 https://doi.org/10.22427/NTP-DATA-DTXSID5021419
ERPathway2016 ERPathway2016_1629 L-Tryptophan 73-22-3 DTXSID5021419 ER Pathway Model, Agonist Call Inactive Unitless N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O L-Tryptophan 73-22-3|L-Tryptophan|(-)-Tryptophan|(2S)-2-Amino-3-(1H-indol-3-yl)propanoic acid|(L)-tryptophan|(S)-1H-Indole-3-alanine|(S)-2-Amino-3-(1H-indol-3-yl)propanoic acid|(S)-2-AMINO-3-(3-INDOLYL)PROPIONIC ACID|(S)-a-Amino-1H-indole-3-propanoic acid|(S)-a-amino-b-indolepropionic acid|(S)-a-Aminoindole-3-propionic acid|(S)-alpha-amino-1H-indole-3-propanoic acid|(S)-alpha-amino-beta-indolepropionic acid|(S)-alpha-Aminoindole-3-propionic acid|(S)-Tryptophan|(S)-a-Amino-1H-indole-3-propanoic acid|(S)-a-Amino-b-indolepropionic acid|(S)-a-Aminoindole-3-propionic acid|1-beta-3-Indolylalanine|1beta-3-Indolylalanine|1H-Indole-3-alanine, (S)-|1H-Indole-3-propanoic acid, alpha-amino-, (S)-|1H-Indole-3-propanoic acid, a-amino-, (S)-|2-Amino-3-indolylpropanoic acid|3-(1H-Indol-3-yl)-L-Alanine|3-Indol-3-ylalanine|Alanine, 3-indol-3-yl-|alpha-Amino-3-indolepropionic acid, L-|alpha-Aminoindole-3-propionic acid|alpha'-Amino-3-indolepropionic acid|Ardeytropin|EINECS 200-795-6|h-Trp-oh|Indole-3-alanine|Indole-3-propionic acid, alpha-amino-|Kalma|L-(-|154635-35-5|2416148-24-6|6912-86-3|80206-30-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021419 https://doi.org/10.22427/NTP-DATA-DTXSID5021419
ERPathway2016 ERPathway2016_1629 L-Tryptophan 73-22-3 DTXSID5021419 ER Pathway Model, Antagonist Call Inactive Unitless N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O L-Tryptophan 73-22-3|L-Tryptophan|(-)-Tryptophan|(2S)-2-Amino-3-(1H-indol-3-yl)propanoic acid|(L)-tryptophan|(S)-1H-Indole-3-alanine|(S)-2-Amino-3-(1H-indol-3-yl)propanoic acid|(S)-2-AMINO-3-(3-INDOLYL)PROPIONIC ACID|(S)-a-Amino-1H-indole-3-propanoic acid|(S)-a-amino-b-indolepropionic acid|(S)-a-Aminoindole-3-propionic acid|(S)-alpha-amino-1H-indole-3-propanoic acid|(S)-alpha-amino-beta-indolepropionic acid|(S)-alpha-Aminoindole-3-propionic acid|(S)-Tryptophan|(S)-a-Amino-1H-indole-3-propanoic acid|(S)-a-Amino-b-indolepropionic acid|(S)-a-Aminoindole-3-propionic acid|1-beta-3-Indolylalanine|1beta-3-Indolylalanine|1H-Indole-3-alanine, (S)-|1H-Indole-3-propanoic acid, alpha-amino-, (S)-|1H-Indole-3-propanoic acid, a-amino-, (S)-|2-Amino-3-indolylpropanoic acid|3-(1H-Indol-3-yl)-L-Alanine|3-Indol-3-ylalanine|Alanine, 3-indol-3-yl-|alpha-Amino-3-indolepropionic acid, L-|alpha-Aminoindole-3-propionic acid|alpha'-Amino-3-indolepropionic acid|Ardeytropin|EINECS 200-795-6|h-Trp-oh|Indole-3-alanine|Indole-3-propionic acid, alpha-amino-|Kalma|L-(-|154635-35-5|2416148-24-6|6912-86-3|80206-30-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021419 https://doi.org/10.22427/NTP-DATA-DTXSID5021419
ARPathway2016 ARPathway2016_430 Lufenuron 103055-07-8 DTXSID5034357 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless FC(C(F)(F)F)C(F)(F)OC1=CC(Cl)=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl Lufenuron 103055-07-8|Lufenuron|(RS)-1-[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-3-(2,6-difluorobenzoyl)urea|1-(2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)-3-(2,6-difluorobenzoyl)urea|Benzamide, N-[[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl] amino]carbonyl]-2,6-difluoro-|CGA 184699|Cigna|Fluphenacur|Fuoro|Lufenurone|Lufenuronum|Mani (insecticide)|Match (pesticide)|Match 5EC|N-[[[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluorobenzamide|N-[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)-phenyl-aminocarbonyl]-2,6-difluorobenzamide|Program|Program flavor tabs|UNII-1R754M4918 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034357
ARPathway2016 ARPathway2016_430 Lufenuron 103055-07-8 DTXSID5034357 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless FC(C(F)(F)F)C(F)(F)OC1=CC(Cl)=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl Lufenuron 103055-07-8|Lufenuron|(RS)-1-[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-3-(2,6-difluorobenzoyl)urea|1-(2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)-3-(2,6-difluorobenzoyl)urea|Benzamide, N-[[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl] amino]carbonyl]-2,6-difluoro-|CGA 184699|Cigna|Fluphenacur|Fuoro|Lufenurone|Lufenuronum|Mani (insecticide)|Match (pesticide)|Match 5EC|N-[[[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluorobenzamide|N-[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)-phenyl-aminocarbonyl]-2,6-difluorobenzamide|Program|Program flavor tabs|UNII-1R754M4918 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034357
ARPathway2016 ARPathway2016_430 Lufenuron 103055-07-8 DTXSID5034357 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless FC(C(F)(F)F)C(F)(F)OC1=CC(Cl)=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl Lufenuron 103055-07-8|Lufenuron|(RS)-1-[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-3-(2,6-difluorobenzoyl)urea|1-(2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)-3-(2,6-difluorobenzoyl)urea|Benzamide, N-[[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl] amino]carbonyl]-2,6-difluoro-|CGA 184699|Cigna|Fluphenacur|Fuoro|Lufenurone|Lufenuronum|Mani (insecticide)|Match (pesticide)|Match 5EC|N-[[[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluorobenzamide|N-[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)-phenyl-aminocarbonyl]-2,6-difluorobenzamide|Program|Program flavor tabs|UNII-1R754M4918 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034357
ARPathway2016 ARPathway2016_430 Lufenuron 103055-07-8 DTXSID5034357 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Agonist Call Inactive Unitless FC(C(F)(F)F)C(F)(F)OC1=CC(Cl)=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl Lufenuron 103055-07-8|Lufenuron|(RS)-1-[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-3-(2,6-difluorobenzoyl)urea|1-(2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)-3-(2,6-difluorobenzoyl)urea|Benzamide, N-[[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl] amino]carbonyl]-2,6-difluoro-|CGA 184699|Cigna|Fluphenacur|Fuoro|Lufenurone|Lufenuronum|Mani (insecticide)|Match (pesticide)|Match 5EC|N-[[[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluorobenzamide|N-[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)-phenyl-aminocarbonyl]-2,6-difluorobenzamide|Program|Program flavor tabs|UNII-1R754M4918 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034357
ERPathway2016 ERPathway2016_734 Lufenuron 103055-07-8 DTXSID5034357 A13 ER Pathway Model, Agonist Model Score 0 Unitless FC(C(F)(F)F)C(F)(F)OC1=CC(Cl)=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl Lufenuron 103055-07-8|Lufenuron|(RS)-1-[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-3-(2,6-difluorobenzoyl)urea|1-(2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)-3-(2,6-difluorobenzoyl)urea|Benzamide, N-[[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl] amino]carbonyl]-2,6-difluoro-|CGA 184699|Cigna|Fluphenacur|Fuoro|Lufenurone|Lufenuronum|Mani (insecticide)|Match (pesticide)|Match 5EC|N-[[[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluorobenzamide|N-[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)-phenyl-aminocarbonyl]-2,6-difluorobenzamide|Program|Program flavor tabs|UNII-1R754M4918 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034357
ERPathway2016 ERPathway2016_734 Lufenuron 103055-07-8 DTXSID5034357 A13 ER Pathway Model, Antagonist Model Score 0 Unitless FC(C(F)(F)F)C(F)(F)OC1=CC(Cl)=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl Lufenuron 103055-07-8|Lufenuron|(RS)-1-[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-3-(2,6-difluorobenzoyl)urea|1-(2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)-3-(2,6-difluorobenzoyl)urea|Benzamide, N-[[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl] amino]carbonyl]-2,6-difluoro-|CGA 184699|Cigna|Fluphenacur|Fuoro|Lufenurone|Lufenuronum|Mani (insecticide)|Match (pesticide)|Match 5EC|N-[[[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluorobenzamide|N-[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)-phenyl-aminocarbonyl]-2,6-difluorobenzamide|Program|Program flavor tabs|UNII-1R754M4918 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034357
ERPathway2016 ERPathway2016_734 Lufenuron 103055-07-8 DTXSID5034357 A13 ER Pathway Model, Agonist Call Inactive Unitless FC(C(F)(F)F)C(F)(F)OC1=CC(Cl)=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl Lufenuron 103055-07-8|Lufenuron|(RS)-1-[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-3-(2,6-difluorobenzoyl)urea|1-(2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)-3-(2,6-difluorobenzoyl)urea|Benzamide, N-[[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl] amino]carbonyl]-2,6-difluoro-|CGA 184699|Cigna|Fluphenacur|Fuoro|Lufenurone|Lufenuronum|Mani (insecticide)|Match (pesticide)|Match 5EC|N-[[[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluorobenzamide|N-[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)-phenyl-aminocarbonyl]-2,6-difluorobenzamide|Program|Program flavor tabs|UNII-1R754M4918 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034357
ERPathway2016 ERPathway2016_734 Lufenuron 103055-07-8 DTXSID5034357 A13 ER Pathway Model, Antagonist Call Inactive Unitless FC(C(F)(F)F)C(F)(F)OC1=CC(Cl)=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl Lufenuron 103055-07-8|Lufenuron|(RS)-1-[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-3-(2,6-difluorobenzoyl)urea|1-(2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)-3-(2,6-difluorobenzoyl)urea|Benzamide, N-[[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl] amino]carbonyl]-2,6-difluoro-|CGA 184699|Cigna|Fluphenacur|Fuoro|Lufenurone|Lufenuronum|Mani (insecticide)|Match (pesticide)|Match 5EC|N-[[[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluorobenzamide|N-[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)-phenyl-aminocarbonyl]-2,6-difluorobenzamide|Program|Program flavor tabs|UNII-1R754M4918 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034357
ARPathway2016 ARPathway2016_1321 Magnesium dibenzoate 553-70-8 DTXSID1044693 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Mg++].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1 Magnesium dibenzoate 553-70-8|Magnesium dibenzoate|Benzoic acid, magnesium salt|Brino|EINECS 209-045-2|Magnesium benzoate|UNII-K3J0WY6SYW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044693
ARPathway2016 ARPathway2016_1321 Magnesium dibenzoate 553-70-8 DTXSID1044693 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Mg++].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1 Magnesium dibenzoate 553-70-8|Magnesium dibenzoate|Benzoic acid, magnesium salt|Brino|EINECS 209-045-2|Magnesium benzoate|UNII-K3J0WY6SYW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044693
ARPathway2016 ARPathway2016_1321 Magnesium dibenzoate 553-70-8 DTXSID1044693 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Mg++].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1 Magnesium dibenzoate 553-70-8|Magnesium dibenzoate|Benzoic acid, magnesium salt|Brino|EINECS 209-045-2|Magnesium benzoate|UNII-K3J0WY6SYW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044693
ARPathway2016 ARPathway2016_1321 Magnesium dibenzoate 553-70-8 DTXSID1044693 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Mg++].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1 Magnesium dibenzoate 553-70-8|Magnesium dibenzoate|Benzoic acid, magnesium salt|Brino|EINECS 209-045-2|Magnesium benzoate|UNII-K3J0WY6SYW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044693
ERPathway2016 ERPathway2016_1535 Magnesium dibenzoate 553-70-8 DTXSID1044693 ER Pathway Model, Agonist Model Score 0 Unitless [Mg++].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1 Magnesium dibenzoate 553-70-8|Magnesium dibenzoate|Benzoic acid, magnesium salt|Brino|EINECS 209-045-2|Magnesium benzoate|UNII-K3J0WY6SYW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044693
ERPathway2016 ERPathway2016_1535 Magnesium dibenzoate 553-70-8 DTXSID1044693 ER Pathway Model, Antagonist Model Score 0 Unitless [Mg++].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1 Magnesium dibenzoate 553-70-8|Magnesium dibenzoate|Benzoic acid, magnesium salt|Brino|EINECS 209-045-2|Magnesium benzoate|UNII-K3J0WY6SYW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044693
ERPathway2016 ERPathway2016_1535 Magnesium dibenzoate 553-70-8 DTXSID1044693 ER Pathway Model, Agonist Call Inactive Unitless [Mg++].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1 Magnesium dibenzoate 553-70-8|Magnesium dibenzoate|Benzoic acid, magnesium salt|Brino|EINECS 209-045-2|Magnesium benzoate|UNII-K3J0WY6SYW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044693
ERPathway2016 ERPathway2016_1535 Magnesium dibenzoate 553-70-8 DTXSID1044693 ER Pathway Model, Antagonist Call Inactive Unitless [Mg++].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1 Magnesium dibenzoate 553-70-8|Magnesium dibenzoate|Benzoic acid, magnesium salt|Brino|EINECS 209-045-2|Magnesium benzoate|UNII-K3J0WY6SYW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044693
ARPathway2016 ARPathway2016_916 Malaoxon 1634-78-2 DTXSID9020790 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC Malaoxon 1634-78-2|Malaoxon|Butanedioic acid, [(dimethoxyphosphinyl)thio]-, diethyl ester|Butanedioic acid, 2-[(dimethoxyphosphinyl)thio]-, 1,4-diethyl ester|Carbethoxy malaoxon|Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorothioate|Liromat|Malaoxone|Malathion Oxon|Malathion-O-analog|Maloxon|NCI-C08628|O,O-Dimethyl S-(1,2-dicarbethoxy)ethyl phosphorothioate|O,O-Dimethyl S-1,2-bis(ethoxycarbonyl)ethyl phosphorothioate|O,O-Dimethyl-S-(1,2-dicarbethoxy)ethyl phosphorothioate|O,O-Dimethyl-S-1,2-bis(ethoxycarbonyl)ethyl phosphorothioate|Oxycarbophos|Phosphorothioic acid, O,O-dimethyl ester, S-ester with diethyl mercaptosuccinate|S-(1,2-Diethoxycarbonyl)ethyl O,O-dimethyl phosphorothioate|Succinic acid, mercapto-, diethyl ester, dimethyl phosphate|Succinic acid, mercapto-, diethyl ester, S-ester with O,O-dimethyl phosphorothioate|35805-20-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020790 https://doi.org/10.22427/NTP-DATA-DTXSID9020790
ARPathway2016 ARPathway2016_916 Malaoxon 1634-78-2 DTXSID9020790 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC Malaoxon 1634-78-2|Malaoxon|Butanedioic acid, [(dimethoxyphosphinyl)thio]-, diethyl ester|Butanedioic acid, 2-[(dimethoxyphosphinyl)thio]-, 1,4-diethyl ester|Carbethoxy malaoxon|Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorothioate|Liromat|Malaoxone|Malathion Oxon|Malathion-O-analog|Maloxon|NCI-C08628|O,O-Dimethyl S-(1,2-dicarbethoxy)ethyl phosphorothioate|O,O-Dimethyl S-1,2-bis(ethoxycarbonyl)ethyl phosphorothioate|O,O-Dimethyl-S-(1,2-dicarbethoxy)ethyl phosphorothioate|O,O-Dimethyl-S-1,2-bis(ethoxycarbonyl)ethyl phosphorothioate|Oxycarbophos|Phosphorothioic acid, O,O-dimethyl ester, S-ester with diethyl mercaptosuccinate|S-(1,2-Diethoxycarbonyl)ethyl O,O-dimethyl phosphorothioate|Succinic acid, mercapto-, diethyl ester, dimethyl phosphate|Succinic acid, mercapto-, diethyl ester, S-ester with O,O-dimethyl phosphorothioate|35805-20-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020790 https://doi.org/10.22427/NTP-DATA-DTXSID9020790
ARPathway2016 ARPathway2016_916 Malaoxon 1634-78-2 DTXSID9020790 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC Malaoxon 1634-78-2|Malaoxon|Butanedioic acid, [(dimethoxyphosphinyl)thio]-, diethyl ester|Butanedioic acid, 2-[(dimethoxyphosphinyl)thio]-, 1,4-diethyl ester|Carbethoxy malaoxon|Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorothioate|Liromat|Malaoxone|Malathion Oxon|Malathion-O-analog|Maloxon|NCI-C08628|O,O-Dimethyl S-(1,2-dicarbethoxy)ethyl phosphorothioate|O,O-Dimethyl S-1,2-bis(ethoxycarbonyl)ethyl phosphorothioate|O,O-Dimethyl-S-(1,2-dicarbethoxy)ethyl phosphorothioate|O,O-Dimethyl-S-1,2-bis(ethoxycarbonyl)ethyl phosphorothioate|Oxycarbophos|Phosphorothioic acid, O,O-dimethyl ester, S-ester with diethyl mercaptosuccinate|S-(1,2-Diethoxycarbonyl)ethyl O,O-dimethyl phosphorothioate|Succinic acid, mercapto-, diethyl ester, dimethyl phosphate|Succinic acid, mercapto-, diethyl ester, S-ester with O,O-dimethyl phosphorothioate|35805-20-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020790 https://doi.org/10.22427/NTP-DATA-DTXSID9020790
ARPathway2016 ARPathway2016_916 Malaoxon 1634-78-2 DTXSID9020790 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC Malaoxon 1634-78-2|Malaoxon|Butanedioic acid, [(dimethoxyphosphinyl)thio]-, diethyl ester|Butanedioic acid, 2-[(dimethoxyphosphinyl)thio]-, 1,4-diethyl ester|Carbethoxy malaoxon|Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorothioate|Liromat|Malaoxone|Malathion Oxon|Malathion-O-analog|Maloxon|NCI-C08628|O,O-Dimethyl S-(1,2-dicarbethoxy)ethyl phosphorothioate|O,O-Dimethyl S-1,2-bis(ethoxycarbonyl)ethyl phosphorothioate|O,O-Dimethyl-S-(1,2-dicarbethoxy)ethyl phosphorothioate|O,O-Dimethyl-S-1,2-bis(ethoxycarbonyl)ethyl phosphorothioate|Oxycarbophos|Phosphorothioic acid, O,O-dimethyl ester, S-ester with diethyl mercaptosuccinate|S-(1,2-Diethoxycarbonyl)ethyl O,O-dimethyl phosphorothioate|Succinic acid, mercapto-, diethyl ester, dimethyl phosphate|Succinic acid, mercapto-, diethyl ester, S-ester with O,O-dimethyl phosphorothioate|35805-20-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020790 https://doi.org/10.22427/NTP-DATA-DTXSID9020790
ERPathway2016 ERPathway2016_924 Malaoxon 1634-78-2 DTXSID9020790 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC Malaoxon 1634-78-2|Malaoxon|Butanedioic acid, [(dimethoxyphosphinyl)thio]-, diethyl ester|Butanedioic acid, 2-[(dimethoxyphosphinyl)thio]-, 1,4-diethyl ester|Carbethoxy malaoxon|Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorothioate|Liromat|Malaoxone|Malathion Oxon|Malathion-O-analog|Maloxon|NCI-C08628|O,O-Dimethyl S-(1,2-dicarbethoxy)ethyl phosphorothioate|O,O-Dimethyl S-1,2-bis(ethoxycarbonyl)ethyl phosphorothioate|O,O-Dimethyl-S-(1,2-dicarbethoxy)ethyl phosphorothioate|O,O-Dimethyl-S-1,2-bis(ethoxycarbonyl)ethyl phosphorothioate|Oxycarbophos|Phosphorothioic acid, O,O-dimethyl ester, S-ester with diethyl mercaptosuccinate|S-(1,2-Diethoxycarbonyl)ethyl O,O-dimethyl phosphorothioate|Succinic acid, mercapto-, diethyl ester, dimethyl phosphate|Succinic acid, mercapto-, diethyl ester, S-ester with O,O-dimethyl phosphorothioate|35805-20-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020790 https://doi.org/10.22427/NTP-DATA-DTXSID9020790
ERPathway2016 ERPathway2016_924 Malaoxon 1634-78-2 DTXSID9020790 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC Malaoxon 1634-78-2|Malaoxon|Butanedioic acid, [(dimethoxyphosphinyl)thio]-, diethyl ester|Butanedioic acid, 2-[(dimethoxyphosphinyl)thio]-, 1,4-diethyl ester|Carbethoxy malaoxon|Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorothioate|Liromat|Malaoxone|Malathion Oxon|Malathion-O-analog|Maloxon|NCI-C08628|O,O-Dimethyl S-(1,2-dicarbethoxy)ethyl phosphorothioate|O,O-Dimethyl S-1,2-bis(ethoxycarbonyl)ethyl phosphorothioate|O,O-Dimethyl-S-(1,2-dicarbethoxy)ethyl phosphorothioate|O,O-Dimethyl-S-1,2-bis(ethoxycarbonyl)ethyl phosphorothioate|Oxycarbophos|Phosphorothioic acid, O,O-dimethyl ester, S-ester with diethyl mercaptosuccinate|S-(1,2-Diethoxycarbonyl)ethyl O,O-dimethyl phosphorothioate|Succinic acid, mercapto-, diethyl ester, dimethyl phosphate|Succinic acid, mercapto-, diethyl ester, S-ester with O,O-dimethyl phosphorothioate|35805-20-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020790 https://doi.org/10.22427/NTP-DATA-DTXSID9020790
ERPathway2016 ERPathway2016_924 Malaoxon 1634-78-2 DTXSID9020790 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC Malaoxon 1634-78-2|Malaoxon|Butanedioic acid, [(dimethoxyphosphinyl)thio]-, diethyl ester|Butanedioic acid, 2-[(dimethoxyphosphinyl)thio]-, 1,4-diethyl ester|Carbethoxy malaoxon|Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorothioate|Liromat|Malaoxone|Malathion Oxon|Malathion-O-analog|Maloxon|NCI-C08628|O,O-Dimethyl S-(1,2-dicarbethoxy)ethyl phosphorothioate|O,O-Dimethyl S-1,2-bis(ethoxycarbonyl)ethyl phosphorothioate|O,O-Dimethyl-S-(1,2-dicarbethoxy)ethyl phosphorothioate|O,O-Dimethyl-S-1,2-bis(ethoxycarbonyl)ethyl phosphorothioate|Oxycarbophos|Phosphorothioic acid, O,O-dimethyl ester, S-ester with diethyl mercaptosuccinate|S-(1,2-Diethoxycarbonyl)ethyl O,O-dimethyl phosphorothioate|Succinic acid, mercapto-, diethyl ester, dimethyl phosphate|Succinic acid, mercapto-, diethyl ester, S-ester with O,O-dimethyl phosphorothioate|35805-20-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020790 https://doi.org/10.22427/NTP-DATA-DTXSID9020790
ERPathway2016 ERPathway2016_924 Malaoxon 1634-78-2 DTXSID9020790 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC Malaoxon 1634-78-2|Malaoxon|Butanedioic acid, [(dimethoxyphosphinyl)thio]-, diethyl ester|Butanedioic acid, 2-[(dimethoxyphosphinyl)thio]-, 1,4-diethyl ester|Carbethoxy malaoxon|Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorothioate|Liromat|Malaoxone|Malathion Oxon|Malathion-O-analog|Maloxon|NCI-C08628|O,O-Dimethyl S-(1,2-dicarbethoxy)ethyl phosphorothioate|O,O-Dimethyl S-1,2-bis(ethoxycarbonyl)ethyl phosphorothioate|O,O-Dimethyl-S-(1,2-dicarbethoxy)ethyl phosphorothioate|O,O-Dimethyl-S-1,2-bis(ethoxycarbonyl)ethyl phosphorothioate|Oxycarbophos|Phosphorothioic acid, O,O-dimethyl ester, S-ester with diethyl mercaptosuccinate|S-(1,2-Diethoxycarbonyl)ethyl O,O-dimethyl phosphorothioate|Succinic acid, mercapto-, diethyl ester, dimethyl phosphate|Succinic acid, mercapto-, diethyl ester, S-ester with O,O-dimethyl phosphorothioate|35805-20-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020790 https://doi.org/10.22427/NTP-DATA-DTXSID9020790
ARPathway2016 ARPathway2016_691 Malathion 121-75-5 DTXSID4020791 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Malathion 121-75-5|Malathion|((Dimethoxyphosphinothioyl)thio)butanedioic acid diethyl ester|[(Dimethoxyphosphinothioyl)thio]butanedioic acid diethyl ester|American Cyanamid 4,049|BRN 1804525|Butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester|Butanedioic acid, 2-[(dimethoxyphosphinothioyl)thio]-, 1,4-diethyl ester|Camathion|Carbethoxy malathion|Carbetovur|Carbetox|Carbofos|Carbophos|Chemathion|Cimexan|Compound 4049|Cythion|Derbac M|Detmol MA|Dicarboethoxyethyl O,O-dimethyl phosphorodithioate|Diethyl ((dimethoxyphosphinothioyl)thio)butanedioate|Diethyl (dimethoxyphosphinothioylthio)succinate|Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorodithioate|Diethyl mercaptosuccinate S-ester with O,O-dimethylphosphorodithioate|DIETHYL MERCAPTOSUCCINATE, ESTER WITH DIMETHYLPHOSPHORODITHIOATE|Diethyl mercaptosuccinate, O,O-dimethyl dithiophosphate, S-ester|Diethyl(dimethoxyphosphinothioylthio) succinate|Diethyl(dimethoxythiophosphorylthio)succinate|Dithiophosphate de O,O-dimethyle et de S-(1,2-dicarboethoxyethyle)|Dorthion|11096-67-6|11130-60-2|12737-19-8|12767-62-3|141263-96-9|75513-83-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020791 https://doi.org/10.22427/NTP-DATA-DTXSID4020791
ARPathway2016 ARPathway2016_691 Malathion 121-75-5 DTXSID4020791 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Malathion 121-75-5|Malathion|((Dimethoxyphosphinothioyl)thio)butanedioic acid diethyl ester|[(Dimethoxyphosphinothioyl)thio]butanedioic acid diethyl ester|American Cyanamid 4,049|BRN 1804525|Butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester|Butanedioic acid, 2-[(dimethoxyphosphinothioyl)thio]-, 1,4-diethyl ester|Camathion|Carbethoxy malathion|Carbetovur|Carbetox|Carbofos|Carbophos|Chemathion|Cimexan|Compound 4049|Cythion|Derbac M|Detmol MA|Dicarboethoxyethyl O,O-dimethyl phosphorodithioate|Diethyl ((dimethoxyphosphinothioyl)thio)butanedioate|Diethyl (dimethoxyphosphinothioylthio)succinate|Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorodithioate|Diethyl mercaptosuccinate S-ester with O,O-dimethylphosphorodithioate|DIETHYL MERCAPTOSUCCINATE, ESTER WITH DIMETHYLPHOSPHORODITHIOATE|Diethyl mercaptosuccinate, O,O-dimethyl dithiophosphate, S-ester|Diethyl(dimethoxyphosphinothioylthio) succinate|Diethyl(dimethoxythiophosphorylthio)succinate|Dithiophosphate de O,O-dimethyle et de S-(1,2-dicarboethoxyethyle)|Dorthion|11096-67-6|11130-60-2|12737-19-8|12767-62-3|141263-96-9|75513-83-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020791 https://doi.org/10.22427/NTP-DATA-DTXSID4020791
ARPathway2016 ARPathway2016_691 Malathion 121-75-5 DTXSID4020791 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Malathion 121-75-5|Malathion|((Dimethoxyphosphinothioyl)thio)butanedioic acid diethyl ester|[(Dimethoxyphosphinothioyl)thio]butanedioic acid diethyl ester|American Cyanamid 4,049|BRN 1804525|Butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester|Butanedioic acid, 2-[(dimethoxyphosphinothioyl)thio]-, 1,4-diethyl ester|Camathion|Carbethoxy malathion|Carbetovur|Carbetox|Carbofos|Carbophos|Chemathion|Cimexan|Compound 4049|Cythion|Derbac M|Detmol MA|Dicarboethoxyethyl O,O-dimethyl phosphorodithioate|Diethyl ((dimethoxyphosphinothioyl)thio)butanedioate|Diethyl (dimethoxyphosphinothioylthio)succinate|Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorodithioate|Diethyl mercaptosuccinate S-ester with O,O-dimethylphosphorodithioate|DIETHYL MERCAPTOSUCCINATE, ESTER WITH DIMETHYLPHOSPHORODITHIOATE|Diethyl mercaptosuccinate, O,O-dimethyl dithiophosphate, S-ester|Diethyl(dimethoxyphosphinothioylthio) succinate|Diethyl(dimethoxythiophosphorylthio)succinate|Dithiophosphate de O,O-dimethyle et de S-(1,2-dicarboethoxyethyle)|Dorthion|11096-67-6|11130-60-2|12737-19-8|12767-62-3|141263-96-9|75513-83-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020791 https://doi.org/10.22427/NTP-DATA-DTXSID4020791
ARPathway2016 ARPathway2016_691 Malathion 121-75-5 DTXSID4020791 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Malathion 121-75-5|Malathion|((Dimethoxyphosphinothioyl)thio)butanedioic acid diethyl ester|[(Dimethoxyphosphinothioyl)thio]butanedioic acid diethyl ester|American Cyanamid 4,049|BRN 1804525|Butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester|Butanedioic acid, 2-[(dimethoxyphosphinothioyl)thio]-, 1,4-diethyl ester|Camathion|Carbethoxy malathion|Carbetovur|Carbetox|Carbofos|Carbophos|Chemathion|Cimexan|Compound 4049|Cythion|Derbac M|Detmol MA|Dicarboethoxyethyl O,O-dimethyl phosphorodithioate|Diethyl ((dimethoxyphosphinothioyl)thio)butanedioate|Diethyl (dimethoxyphosphinothioylthio)succinate|Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorodithioate|Diethyl mercaptosuccinate S-ester with O,O-dimethylphosphorodithioate|DIETHYL MERCAPTOSUCCINATE, ESTER WITH DIMETHYLPHOSPHORODITHIOATE|Diethyl mercaptosuccinate, O,O-dimethyl dithiophosphate, S-ester|Diethyl(dimethoxyphosphinothioylthio) succinate|Diethyl(dimethoxythiophosphorylthio)succinate|Dithiophosphate de O,O-dimethyle et de S-(1,2-dicarboethoxyethyle)|Dorthion|11096-67-6|11130-60-2|12737-19-8|12767-62-3|141263-96-9|75513-83-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020791 https://doi.org/10.22427/NTP-DATA-DTXSID4020791
ERPathway2016 ERPathway2016_815 Malathion 121-75-5 DTXSID4020791 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Malathion 121-75-5|Malathion|((Dimethoxyphosphinothioyl)thio)butanedioic acid diethyl ester|[(Dimethoxyphosphinothioyl)thio]butanedioic acid diethyl ester|American Cyanamid 4,049|BRN 1804525|Butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester|Butanedioic acid, 2-[(dimethoxyphosphinothioyl)thio]-, 1,4-diethyl ester|Camathion|Carbethoxy malathion|Carbetovur|Carbetox|Carbofos|Carbophos|Chemathion|Cimexan|Compound 4049|Cythion|Derbac M|Detmol MA|Dicarboethoxyethyl O,O-dimethyl phosphorodithioate|Diethyl ((dimethoxyphosphinothioyl)thio)butanedioate|Diethyl (dimethoxyphosphinothioylthio)succinate|Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorodithioate|Diethyl mercaptosuccinate S-ester with O,O-dimethylphosphorodithioate|DIETHYL MERCAPTOSUCCINATE, ESTER WITH DIMETHYLPHOSPHORODITHIOATE|Diethyl mercaptosuccinate, O,O-dimethyl dithiophosphate, S-ester|Diethyl(dimethoxyphosphinothioylthio) succinate|Diethyl(dimethoxythiophosphorylthio)succinate|Dithiophosphate de O,O-dimethyle et de S-(1,2-dicarboethoxyethyle)|Dorthion|11096-67-6|11130-60-2|12737-19-8|12767-62-3|141263-96-9|75513-83-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020791 https://doi.org/10.22427/NTP-DATA-DTXSID4020791
ERPathway2016 ERPathway2016_815 Malathion 121-75-5 DTXSID4020791 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Malathion 121-75-5|Malathion|((Dimethoxyphosphinothioyl)thio)butanedioic acid diethyl ester|[(Dimethoxyphosphinothioyl)thio]butanedioic acid diethyl ester|American Cyanamid 4,049|BRN 1804525|Butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester|Butanedioic acid, 2-[(dimethoxyphosphinothioyl)thio]-, 1,4-diethyl ester|Camathion|Carbethoxy malathion|Carbetovur|Carbetox|Carbofos|Carbophos|Chemathion|Cimexan|Compound 4049|Cythion|Derbac M|Detmol MA|Dicarboethoxyethyl O,O-dimethyl phosphorodithioate|Diethyl ((dimethoxyphosphinothioyl)thio)butanedioate|Diethyl (dimethoxyphosphinothioylthio)succinate|Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorodithioate|Diethyl mercaptosuccinate S-ester with O,O-dimethylphosphorodithioate|DIETHYL MERCAPTOSUCCINATE, ESTER WITH DIMETHYLPHOSPHORODITHIOATE|Diethyl mercaptosuccinate, O,O-dimethyl dithiophosphate, S-ester|Diethyl(dimethoxyphosphinothioylthio) succinate|Diethyl(dimethoxythiophosphorylthio)succinate|Dithiophosphate de O,O-dimethyle et de S-(1,2-dicarboethoxyethyle)|Dorthion|11096-67-6|11130-60-2|12737-19-8|12767-62-3|141263-96-9|75513-83-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020791 https://doi.org/10.22427/NTP-DATA-DTXSID4020791
ERPathway2016 ERPathway2016_815 Malathion 121-75-5 DTXSID4020791 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Malathion 121-75-5|Malathion|((Dimethoxyphosphinothioyl)thio)butanedioic acid diethyl ester|[(Dimethoxyphosphinothioyl)thio]butanedioic acid diethyl ester|American Cyanamid 4,049|BRN 1804525|Butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester|Butanedioic acid, 2-[(dimethoxyphosphinothioyl)thio]-, 1,4-diethyl ester|Camathion|Carbethoxy malathion|Carbetovur|Carbetox|Carbofos|Carbophos|Chemathion|Cimexan|Compound 4049|Cythion|Derbac M|Detmol MA|Dicarboethoxyethyl O,O-dimethyl phosphorodithioate|Diethyl ((dimethoxyphosphinothioyl)thio)butanedioate|Diethyl (dimethoxyphosphinothioylthio)succinate|Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorodithioate|Diethyl mercaptosuccinate S-ester with O,O-dimethylphosphorodithioate|DIETHYL MERCAPTOSUCCINATE, ESTER WITH DIMETHYLPHOSPHORODITHIOATE|Diethyl mercaptosuccinate, O,O-dimethyl dithiophosphate, S-ester|Diethyl(dimethoxyphosphinothioylthio) succinate|Diethyl(dimethoxythiophosphorylthio)succinate|Dithiophosphate de O,O-dimethyle et de S-(1,2-dicarboethoxyethyle)|Dorthion|11096-67-6|11130-60-2|12737-19-8|12767-62-3|141263-96-9|75513-83-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020791 https://doi.org/10.22427/NTP-DATA-DTXSID4020791
ERPathway2016 ERPathway2016_815 Malathion 121-75-5 DTXSID4020791 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC Malathion 121-75-5|Malathion|((Dimethoxyphosphinothioyl)thio)butanedioic acid diethyl ester|[(Dimethoxyphosphinothioyl)thio]butanedioic acid diethyl ester|American Cyanamid 4,049|BRN 1804525|Butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester|Butanedioic acid, 2-[(dimethoxyphosphinothioyl)thio]-, 1,4-diethyl ester|Camathion|Carbethoxy malathion|Carbetovur|Carbetox|Carbofos|Carbophos|Chemathion|Cimexan|Compound 4049|Cythion|Derbac M|Detmol MA|Dicarboethoxyethyl O,O-dimethyl phosphorodithioate|Diethyl ((dimethoxyphosphinothioyl)thio)butanedioate|Diethyl (dimethoxyphosphinothioylthio)succinate|Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorodithioate|Diethyl mercaptosuccinate S-ester with O,O-dimethylphosphorodithioate|DIETHYL MERCAPTOSUCCINATE, ESTER WITH DIMETHYLPHOSPHORODITHIOATE|Diethyl mercaptosuccinate, O,O-dimethyl dithiophosphate, S-ester|Diethyl(dimethoxyphosphinothioylthio) succinate|Diethyl(dimethoxythiophosphorylthio)succinate|Dithiophosphate de O,O-dimethyle et de S-(1,2-dicarboethoxyethyle)|Dorthion|11096-67-6|11130-60-2|12737-19-8|12767-62-3|141263-96-9|75513-83-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020791 https://doi.org/10.22427/NTP-DATA-DTXSID4020791
ARPathway2016 ARPathway2016_537 Maleic acid 110-16-7 DTXSID8021517 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C=C/C(O)=O Maleic acid 110-16-7|Maleic acid|(2Z)-2-Butenedioate|(2Z)-2-Butenedioic acid|(2Z)-but-2-enedioate|(2Z)-but-2-enedioic acid|(2Z)-Butene-2-dioate|(2Z)-Butene-2-dioic acid|(Z)-2-Butenedioate|(Z)-2-Butenedioic acid|(z)-butenedioate|(Z)-Butenedioic acid|1,2-Ethylene dicarboxylic acid|2-Butenedioate|2-Butenedioic acid|2-Butenedioic acid (2Z)-|2-Butenedioic acid (Z)-|2-Butenedioic acid, (Z)-|2-Butenedioic acid(Z)|4-02-00-02199|Acide maleique|acido maleico|BRN 0605762|but-2-enedioic acid|Butenedioic acid, (Z)-|cis-1,2-Ethylenedicarboxylic acid|cis-2-Butenedioate|cis-2-Butenedioic acid|cis-But-2-enedioate|cis-but-2-enedioic acid|Cis-butenedioate|cis-Butenedioic acid|EINECS 203-742-5|H2male|Kyselina maleinova|MAE|Maleic acid [NA2215]|MALEINIC ACID|Maleinsaeure|Malenic acid|Malezid CM|NSC 25940|Scotchbond Multipurpose Etchant|Toxilic acid|UNII-91XW058U2C|1975169-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021517 https://doi.org/10.22427/NTP-DATA-DTXSID8021517
ARPathway2016 ARPathway2016_537 Maleic acid 110-16-7 DTXSID8021517 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C=C/C(O)=O Maleic acid 110-16-7|Maleic acid|(2Z)-2-Butenedioate|(2Z)-2-Butenedioic acid|(2Z)-but-2-enedioate|(2Z)-but-2-enedioic acid|(2Z)-Butene-2-dioate|(2Z)-Butene-2-dioic acid|(Z)-2-Butenedioate|(Z)-2-Butenedioic acid|(z)-butenedioate|(Z)-Butenedioic acid|1,2-Ethylene dicarboxylic acid|2-Butenedioate|2-Butenedioic acid|2-Butenedioic acid (2Z)-|2-Butenedioic acid (Z)-|2-Butenedioic acid, (Z)-|2-Butenedioic acid(Z)|4-02-00-02199|Acide maleique|acido maleico|BRN 0605762|but-2-enedioic acid|Butenedioic acid, (Z)-|cis-1,2-Ethylenedicarboxylic acid|cis-2-Butenedioate|cis-2-Butenedioic acid|cis-But-2-enedioate|cis-but-2-enedioic acid|Cis-butenedioate|cis-Butenedioic acid|EINECS 203-742-5|H2male|Kyselina maleinova|MAE|Maleic acid [NA2215]|MALEINIC ACID|Maleinsaeure|Malenic acid|Malezid CM|NSC 25940|Scotchbond Multipurpose Etchant|Toxilic acid|UNII-91XW058U2C|1975169-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021517 https://doi.org/10.22427/NTP-DATA-DTXSID8021517
ARPathway2016 ARPathway2016_537 Maleic acid 110-16-7 DTXSID8021517 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C=C/C(O)=O Maleic acid 110-16-7|Maleic acid|(2Z)-2-Butenedioate|(2Z)-2-Butenedioic acid|(2Z)-but-2-enedioate|(2Z)-but-2-enedioic acid|(2Z)-Butene-2-dioate|(2Z)-Butene-2-dioic acid|(Z)-2-Butenedioate|(Z)-2-Butenedioic acid|(z)-butenedioate|(Z)-Butenedioic acid|1,2-Ethylene dicarboxylic acid|2-Butenedioate|2-Butenedioic acid|2-Butenedioic acid (2Z)-|2-Butenedioic acid (Z)-|2-Butenedioic acid, (Z)-|2-Butenedioic acid(Z)|4-02-00-02199|Acide maleique|acido maleico|BRN 0605762|but-2-enedioic acid|Butenedioic acid, (Z)-|cis-1,2-Ethylenedicarboxylic acid|cis-2-Butenedioate|cis-2-Butenedioic acid|cis-But-2-enedioate|cis-but-2-enedioic acid|Cis-butenedioate|cis-Butenedioic acid|EINECS 203-742-5|H2male|Kyselina maleinova|MAE|Maleic acid [NA2215]|MALEINIC ACID|Maleinsaeure|Malenic acid|Malezid CM|NSC 25940|Scotchbond Multipurpose Etchant|Toxilic acid|UNII-91XW058U2C|1975169-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021517 https://doi.org/10.22427/NTP-DATA-DTXSID8021517
ARPathway2016 ARPathway2016_537 Maleic acid 110-16-7 DTXSID8021517 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C=C/C(O)=O Maleic acid 110-16-7|Maleic acid|(2Z)-2-Butenedioate|(2Z)-2-Butenedioic acid|(2Z)-but-2-enedioate|(2Z)-but-2-enedioic acid|(2Z)-Butene-2-dioate|(2Z)-Butene-2-dioic acid|(Z)-2-Butenedioate|(Z)-2-Butenedioic acid|(z)-butenedioate|(Z)-Butenedioic acid|1,2-Ethylene dicarboxylic acid|2-Butenedioate|2-Butenedioic acid|2-Butenedioic acid (2Z)-|2-Butenedioic acid (Z)-|2-Butenedioic acid, (Z)-|2-Butenedioic acid(Z)|4-02-00-02199|Acide maleique|acido maleico|BRN 0605762|but-2-enedioic acid|Butenedioic acid, (Z)-|cis-1,2-Ethylenedicarboxylic acid|cis-2-Butenedioate|cis-2-Butenedioic acid|cis-But-2-enedioate|cis-but-2-enedioic acid|Cis-butenedioate|cis-Butenedioic acid|EINECS 203-742-5|H2male|Kyselina maleinova|MAE|Maleic acid [NA2215]|MALEINIC ACID|Maleinsaeure|Malenic acid|Malezid CM|NSC 25940|Scotchbond Multipurpose Etchant|Toxilic acid|UNII-91XW058U2C|1975169-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021517 https://doi.org/10.22427/NTP-DATA-DTXSID8021517
ERPathway2016 ERPathway2016_1130 Maleic acid 110-16-7 DTXSID8021517 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C=C/C(O)=O Maleic acid 110-16-7|Maleic acid|(2Z)-2-Butenedioate|(2Z)-2-Butenedioic acid|(2Z)-but-2-enedioate|(2Z)-but-2-enedioic acid|(2Z)-Butene-2-dioate|(2Z)-Butene-2-dioic acid|(Z)-2-Butenedioate|(Z)-2-Butenedioic acid|(z)-butenedioate|(Z)-Butenedioic acid|1,2-Ethylene dicarboxylic acid|2-Butenedioate|2-Butenedioic acid|2-Butenedioic acid (2Z)-|2-Butenedioic acid (Z)-|2-Butenedioic acid, (Z)-|2-Butenedioic acid(Z)|4-02-00-02199|Acide maleique|acido maleico|BRN 0605762|but-2-enedioic acid|Butenedioic acid, (Z)-|cis-1,2-Ethylenedicarboxylic acid|cis-2-Butenedioate|cis-2-Butenedioic acid|cis-But-2-enedioate|cis-but-2-enedioic acid|Cis-butenedioate|cis-Butenedioic acid|EINECS 203-742-5|H2male|Kyselina maleinova|MAE|Maleic acid [NA2215]|MALEINIC ACID|Maleinsaeure|Malenic acid|Malezid CM|NSC 25940|Scotchbond Multipurpose Etchant|Toxilic acid|UNII-91XW058U2C|1975169-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021517 https://doi.org/10.22427/NTP-DATA-DTXSID8021517
ERPathway2016 ERPathway2016_1130 Maleic acid 110-16-7 DTXSID8021517 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C=C/C(O)=O Maleic acid 110-16-7|Maleic acid|(2Z)-2-Butenedioate|(2Z)-2-Butenedioic acid|(2Z)-but-2-enedioate|(2Z)-but-2-enedioic acid|(2Z)-Butene-2-dioate|(2Z)-Butene-2-dioic acid|(Z)-2-Butenedioate|(Z)-2-Butenedioic acid|(z)-butenedioate|(Z)-Butenedioic acid|1,2-Ethylene dicarboxylic acid|2-Butenedioate|2-Butenedioic acid|2-Butenedioic acid (2Z)-|2-Butenedioic acid (Z)-|2-Butenedioic acid, (Z)-|2-Butenedioic acid(Z)|4-02-00-02199|Acide maleique|acido maleico|BRN 0605762|but-2-enedioic acid|Butenedioic acid, (Z)-|cis-1,2-Ethylenedicarboxylic acid|cis-2-Butenedioate|cis-2-Butenedioic acid|cis-But-2-enedioate|cis-but-2-enedioic acid|Cis-butenedioate|cis-Butenedioic acid|EINECS 203-742-5|H2male|Kyselina maleinova|MAE|Maleic acid [NA2215]|MALEINIC ACID|Maleinsaeure|Malenic acid|Malezid CM|NSC 25940|Scotchbond Multipurpose Etchant|Toxilic acid|UNII-91XW058U2C|1975169-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021517 https://doi.org/10.22427/NTP-DATA-DTXSID8021517
ERPathway2016 ERPathway2016_1130 Maleic acid 110-16-7 DTXSID8021517 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C=C/C(O)=O Maleic acid 110-16-7|Maleic acid|(2Z)-2-Butenedioate|(2Z)-2-Butenedioic acid|(2Z)-but-2-enedioate|(2Z)-but-2-enedioic acid|(2Z)-Butene-2-dioate|(2Z)-Butene-2-dioic acid|(Z)-2-Butenedioate|(Z)-2-Butenedioic acid|(z)-butenedioate|(Z)-Butenedioic acid|1,2-Ethylene dicarboxylic acid|2-Butenedioate|2-Butenedioic acid|2-Butenedioic acid (2Z)-|2-Butenedioic acid (Z)-|2-Butenedioic acid, (Z)-|2-Butenedioic acid(Z)|4-02-00-02199|Acide maleique|acido maleico|BRN 0605762|but-2-enedioic acid|Butenedioic acid, (Z)-|cis-1,2-Ethylenedicarboxylic acid|cis-2-Butenedioate|cis-2-Butenedioic acid|cis-But-2-enedioate|cis-but-2-enedioic acid|Cis-butenedioate|cis-Butenedioic acid|EINECS 203-742-5|H2male|Kyselina maleinova|MAE|Maleic acid [NA2215]|MALEINIC ACID|Maleinsaeure|Malenic acid|Malezid CM|NSC 25940|Scotchbond Multipurpose Etchant|Toxilic acid|UNII-91XW058U2C|1975169-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021517 https://doi.org/10.22427/NTP-DATA-DTXSID8021517
ERPathway2016 ERPathway2016_1130 Maleic acid 110-16-7 DTXSID8021517 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C=C/C(O)=O Maleic acid 110-16-7|Maleic acid|(2Z)-2-Butenedioate|(2Z)-2-Butenedioic acid|(2Z)-but-2-enedioate|(2Z)-but-2-enedioic acid|(2Z)-Butene-2-dioate|(2Z)-Butene-2-dioic acid|(Z)-2-Butenedioate|(Z)-2-Butenedioic acid|(z)-butenedioate|(Z)-Butenedioic acid|1,2-Ethylene dicarboxylic acid|2-Butenedioate|2-Butenedioic acid|2-Butenedioic acid (2Z)-|2-Butenedioic acid (Z)-|2-Butenedioic acid, (Z)-|2-Butenedioic acid(Z)|4-02-00-02199|Acide maleique|acido maleico|BRN 0605762|but-2-enedioic acid|Butenedioic acid, (Z)-|cis-1,2-Ethylenedicarboxylic acid|cis-2-Butenedioate|cis-2-Butenedioic acid|cis-But-2-enedioate|cis-but-2-enedioic acid|Cis-butenedioate|cis-Butenedioic acid|EINECS 203-742-5|H2male|Kyselina maleinova|MAE|Maleic acid [NA2215]|MALEINIC ACID|Maleinsaeure|Malenic acid|Malezid CM|NSC 25940|Scotchbond Multipurpose Etchant|Toxilic acid|UNII-91XW058U2C|1975169-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021517 https://doi.org/10.22427/NTP-DATA-DTXSID8021517
ARPathway2016 ARPathway2016_718 Maleic hydrazide 123-33-1 DTXSID9020792 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C1NNC(=O)C=C1 Maleic hydrazide 123-33-1|Maleic hydrazide|1,2-Dihydro-3,6-pyradizinedione|1,2-Dihydro-3,6-pyridazinedione|1,2-Dihydropyridazine-3,6-dione|1,2,3,6-Tetrahydro-3,6-dioxopyridazine|3,6-Dihydroxypyridazine|3,6-Dioxopyridazine|3,6-Pyridazinediol|3,6-Pyridazinedione, 1,2-dihydro-|3(2H)-Pyridazinone, 6-hydroxy-|6-Hydroxy-2H-pyridazin-3-one|6-Hydroxy-3(2H)-pyridazinone|Antergon|Antyrost|Burtolin|Caswell No. 352|De-sprout|Drexel-super P|EINECS 204-619-9|EPA Pesticide Chemical Code 051501|Fair plus|Fair PS|Hydrazid kyseliny maleinove|Hydrazide maleique|MAH|Malazide|Maleic acid cyclic hydrazide|Maleic acid hydrazide|Maleic cyclic hydrazide|Maleic hydrazine|maleic-hydrazide|MALEINSAEUREHYDRAZID|Malepin|MH|MH 36 bayer|N,N-Maleoylhydrazine|NSC 13892|NSC 234167|NSC 48832|NSC 8823|piridazina-3,6-diol|Pyridazin-3,6-diol|Pyridazine-3,6-diol|RCRA waste number U148|Regulox|Regulox 50 W|Regulox W|Royal MH-30|Royal Slo-Gro|Sorbatran|Sprout-stop|Sprout/off|Stuntman|Sucker-stuff|Super De-Sprout|Super sprout stop|Super sucker-stuff|Super sucker-stuff HC|Super-de-sprout|UNII-T|10071-13-3|220787-04-2|48100-18-1|5425-79-6|66988-32-7|92335-53-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020792 https://doi.org/10.22427/NTP-DATA-DTXSID9020792
ARPathway2016 ARPathway2016_718 Maleic hydrazide 123-33-1 DTXSID9020792 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C1NNC(=O)C=C1 Maleic hydrazide 123-33-1|Maleic hydrazide|1,2-Dihydro-3,6-pyradizinedione|1,2-Dihydro-3,6-pyridazinedione|1,2-Dihydropyridazine-3,6-dione|1,2,3,6-Tetrahydro-3,6-dioxopyridazine|3,6-Dihydroxypyridazine|3,6-Dioxopyridazine|3,6-Pyridazinediol|3,6-Pyridazinedione, 1,2-dihydro-|3(2H)-Pyridazinone, 6-hydroxy-|6-Hydroxy-2H-pyridazin-3-one|6-Hydroxy-3(2H)-pyridazinone|Antergon|Antyrost|Burtolin|Caswell No. 352|De-sprout|Drexel-super P|EINECS 204-619-9|EPA Pesticide Chemical Code 051501|Fair plus|Fair PS|Hydrazid kyseliny maleinove|Hydrazide maleique|MAH|Malazide|Maleic acid cyclic hydrazide|Maleic acid hydrazide|Maleic cyclic hydrazide|Maleic hydrazine|maleic-hydrazide|MALEINSAEUREHYDRAZID|Malepin|MH|MH 36 bayer|N,N-Maleoylhydrazine|NSC 13892|NSC 234167|NSC 48832|NSC 8823|piridazina-3,6-diol|Pyridazin-3,6-diol|Pyridazine-3,6-diol|RCRA waste number U148|Regulox|Regulox 50 W|Regulox W|Royal MH-30|Royal Slo-Gro|Sorbatran|Sprout-stop|Sprout/off|Stuntman|Sucker-stuff|Super De-Sprout|Super sprout stop|Super sucker-stuff|Super sucker-stuff HC|Super-de-sprout|UNII-T|10071-13-3|220787-04-2|48100-18-1|5425-79-6|66988-32-7|92335-53-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020792 https://doi.org/10.22427/NTP-DATA-DTXSID9020792
ARPathway2016 ARPathway2016_718 Maleic hydrazide 123-33-1 DTXSID9020792 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C1NNC(=O)C=C1 Maleic hydrazide 123-33-1|Maleic hydrazide|1,2-Dihydro-3,6-pyradizinedione|1,2-Dihydro-3,6-pyridazinedione|1,2-Dihydropyridazine-3,6-dione|1,2,3,6-Tetrahydro-3,6-dioxopyridazine|3,6-Dihydroxypyridazine|3,6-Dioxopyridazine|3,6-Pyridazinediol|3,6-Pyridazinedione, 1,2-dihydro-|3(2H)-Pyridazinone, 6-hydroxy-|6-Hydroxy-2H-pyridazin-3-one|6-Hydroxy-3(2H)-pyridazinone|Antergon|Antyrost|Burtolin|Caswell No. 352|De-sprout|Drexel-super P|EINECS 204-619-9|EPA Pesticide Chemical Code 051501|Fair plus|Fair PS|Hydrazid kyseliny maleinove|Hydrazide maleique|MAH|Malazide|Maleic acid cyclic hydrazide|Maleic acid hydrazide|Maleic cyclic hydrazide|Maleic hydrazine|maleic-hydrazide|MALEINSAEUREHYDRAZID|Malepin|MH|MH 36 bayer|N,N-Maleoylhydrazine|NSC 13892|NSC 234167|NSC 48832|NSC 8823|piridazina-3,6-diol|Pyridazin-3,6-diol|Pyridazine-3,6-diol|RCRA waste number U148|Regulox|Regulox 50 W|Regulox W|Royal MH-30|Royal Slo-Gro|Sorbatran|Sprout-stop|Sprout/off|Stuntman|Sucker-stuff|Super De-Sprout|Super sprout stop|Super sucker-stuff|Super sucker-stuff HC|Super-de-sprout|UNII-T|10071-13-3|220787-04-2|48100-18-1|5425-79-6|66988-32-7|92335-53-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020792 https://doi.org/10.22427/NTP-DATA-DTXSID9020792
ARPathway2016 ARPathway2016_718 Maleic hydrazide 123-33-1 DTXSID9020792 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C1NNC(=O)C=C1 Maleic hydrazide 123-33-1|Maleic hydrazide|1,2-Dihydro-3,6-pyradizinedione|1,2-Dihydro-3,6-pyridazinedione|1,2-Dihydropyridazine-3,6-dione|1,2,3,6-Tetrahydro-3,6-dioxopyridazine|3,6-Dihydroxypyridazine|3,6-Dioxopyridazine|3,6-Pyridazinediol|3,6-Pyridazinedione, 1,2-dihydro-|3(2H)-Pyridazinone, 6-hydroxy-|6-Hydroxy-2H-pyridazin-3-one|6-Hydroxy-3(2H)-pyridazinone|Antergon|Antyrost|Burtolin|Caswell No. 352|De-sprout|Drexel-super P|EINECS 204-619-9|EPA Pesticide Chemical Code 051501|Fair plus|Fair PS|Hydrazid kyseliny maleinove|Hydrazide maleique|MAH|Malazide|Maleic acid cyclic hydrazide|Maleic acid hydrazide|Maleic cyclic hydrazide|Maleic hydrazine|maleic-hydrazide|MALEINSAEUREHYDRAZID|Malepin|MH|MH 36 bayer|N,N-Maleoylhydrazine|NSC 13892|NSC 234167|NSC 48832|NSC 8823|piridazina-3,6-diol|Pyridazin-3,6-diol|Pyridazine-3,6-diol|RCRA waste number U148|Regulox|Regulox 50 W|Regulox W|Royal MH-30|Royal Slo-Gro|Sorbatran|Sprout-stop|Sprout/off|Stuntman|Sucker-stuff|Super De-Sprout|Super sprout stop|Super sucker-stuff|Super sucker-stuff HC|Super-de-sprout|UNII-T|10071-13-3|220787-04-2|48100-18-1|5425-79-6|66988-32-7|92335-53-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020792 https://doi.org/10.22427/NTP-DATA-DTXSID9020792
ERPathway2016 ERPathway2016_1233 Maleic hydrazide 123-33-1 DTXSID9020792 ER Pathway Model, Agonist Model Score 0 Unitless O=C1NNC(=O)C=C1 Maleic hydrazide 123-33-1|Maleic hydrazide|1,2-Dihydro-3,6-pyradizinedione|1,2-Dihydro-3,6-pyridazinedione|1,2-Dihydropyridazine-3,6-dione|1,2,3,6-Tetrahydro-3,6-dioxopyridazine|3,6-Dihydroxypyridazine|3,6-Dioxopyridazine|3,6-Pyridazinediol|3,6-Pyridazinedione, 1,2-dihydro-|3(2H)-Pyridazinone, 6-hydroxy-|6-Hydroxy-2H-pyridazin-3-one|6-Hydroxy-3(2H)-pyridazinone|Antergon|Antyrost|Burtolin|Caswell No. 352|De-sprout|Drexel-super P|EINECS 204-619-9|EPA Pesticide Chemical Code 051501|Fair plus|Fair PS|Hydrazid kyseliny maleinove|Hydrazide maleique|MAH|Malazide|Maleic acid cyclic hydrazide|Maleic acid hydrazide|Maleic cyclic hydrazide|Maleic hydrazine|maleic-hydrazide|MALEINSAEUREHYDRAZID|Malepin|MH|MH 36 bayer|N,N-Maleoylhydrazine|NSC 13892|NSC 234167|NSC 48832|NSC 8823|piridazina-3,6-diol|Pyridazin-3,6-diol|Pyridazine-3,6-diol|RCRA waste number U148|Regulox|Regulox 50 W|Regulox W|Royal MH-30|Royal Slo-Gro|Sorbatran|Sprout-stop|Sprout/off|Stuntman|Sucker-stuff|Super De-Sprout|Super sprout stop|Super sucker-stuff|Super sucker-stuff HC|Super-de-sprout|UNII-T|10071-13-3|220787-04-2|48100-18-1|5425-79-6|66988-32-7|92335-53-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020792 https://doi.org/10.22427/NTP-DATA-DTXSID9020792
ERPathway2016 ERPathway2016_1233 Maleic hydrazide 123-33-1 DTXSID9020792 ER Pathway Model, Antagonist Model Score 0 Unitless O=C1NNC(=O)C=C1 Maleic hydrazide 123-33-1|Maleic hydrazide|1,2-Dihydro-3,6-pyradizinedione|1,2-Dihydro-3,6-pyridazinedione|1,2-Dihydropyridazine-3,6-dione|1,2,3,6-Tetrahydro-3,6-dioxopyridazine|3,6-Dihydroxypyridazine|3,6-Dioxopyridazine|3,6-Pyridazinediol|3,6-Pyridazinedione, 1,2-dihydro-|3(2H)-Pyridazinone, 6-hydroxy-|6-Hydroxy-2H-pyridazin-3-one|6-Hydroxy-3(2H)-pyridazinone|Antergon|Antyrost|Burtolin|Caswell No. 352|De-sprout|Drexel-super P|EINECS 204-619-9|EPA Pesticide Chemical Code 051501|Fair plus|Fair PS|Hydrazid kyseliny maleinove|Hydrazide maleique|MAH|Malazide|Maleic acid cyclic hydrazide|Maleic acid hydrazide|Maleic cyclic hydrazide|Maleic hydrazine|maleic-hydrazide|MALEINSAEUREHYDRAZID|Malepin|MH|MH 36 bayer|N,N-Maleoylhydrazine|NSC 13892|NSC 234167|NSC 48832|NSC 8823|piridazina-3,6-diol|Pyridazin-3,6-diol|Pyridazine-3,6-diol|RCRA waste number U148|Regulox|Regulox 50 W|Regulox W|Royal MH-30|Royal Slo-Gro|Sorbatran|Sprout-stop|Sprout/off|Stuntman|Sucker-stuff|Super De-Sprout|Super sprout stop|Super sucker-stuff|Super sucker-stuff HC|Super-de-sprout|UNII-T|10071-13-3|220787-04-2|48100-18-1|5425-79-6|66988-32-7|92335-53-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020792 https://doi.org/10.22427/NTP-DATA-DTXSID9020792
ERPathway2016 ERPathway2016_1233 Maleic hydrazide 123-33-1 DTXSID9020792 ER Pathway Model, Agonist Call Inactive Unitless O=C1NNC(=O)C=C1 Maleic hydrazide 123-33-1|Maleic hydrazide|1,2-Dihydro-3,6-pyradizinedione|1,2-Dihydro-3,6-pyridazinedione|1,2-Dihydropyridazine-3,6-dione|1,2,3,6-Tetrahydro-3,6-dioxopyridazine|3,6-Dihydroxypyridazine|3,6-Dioxopyridazine|3,6-Pyridazinediol|3,6-Pyridazinedione, 1,2-dihydro-|3(2H)-Pyridazinone, 6-hydroxy-|6-Hydroxy-2H-pyridazin-3-one|6-Hydroxy-3(2H)-pyridazinone|Antergon|Antyrost|Burtolin|Caswell No. 352|De-sprout|Drexel-super P|EINECS 204-619-9|EPA Pesticide Chemical Code 051501|Fair plus|Fair PS|Hydrazid kyseliny maleinove|Hydrazide maleique|MAH|Malazide|Maleic acid cyclic hydrazide|Maleic acid hydrazide|Maleic cyclic hydrazide|Maleic hydrazine|maleic-hydrazide|MALEINSAEUREHYDRAZID|Malepin|MH|MH 36 bayer|N,N-Maleoylhydrazine|NSC 13892|NSC 234167|NSC 48832|NSC 8823|piridazina-3,6-diol|Pyridazin-3,6-diol|Pyridazine-3,6-diol|RCRA waste number U148|Regulox|Regulox 50 W|Regulox W|Royal MH-30|Royal Slo-Gro|Sorbatran|Sprout-stop|Sprout/off|Stuntman|Sucker-stuff|Super De-Sprout|Super sprout stop|Super sucker-stuff|Super sucker-stuff HC|Super-de-sprout|UNII-T|10071-13-3|220787-04-2|48100-18-1|5425-79-6|66988-32-7|92335-53-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020792 https://doi.org/10.22427/NTP-DATA-DTXSID9020792
ERPathway2016 ERPathway2016_1233 Maleic hydrazide 123-33-1 DTXSID9020792 ER Pathway Model, Antagonist Call Inactive Unitless O=C1NNC(=O)C=C1 Maleic hydrazide 123-33-1|Maleic hydrazide|1,2-Dihydro-3,6-pyradizinedione|1,2-Dihydro-3,6-pyridazinedione|1,2-Dihydropyridazine-3,6-dione|1,2,3,6-Tetrahydro-3,6-dioxopyridazine|3,6-Dihydroxypyridazine|3,6-Dioxopyridazine|3,6-Pyridazinediol|3,6-Pyridazinedione, 1,2-dihydro-|3(2H)-Pyridazinone, 6-hydroxy-|6-Hydroxy-2H-pyridazin-3-one|6-Hydroxy-3(2H)-pyridazinone|Antergon|Antyrost|Burtolin|Caswell No. 352|De-sprout|Drexel-super P|EINECS 204-619-9|EPA Pesticide Chemical Code 051501|Fair plus|Fair PS|Hydrazid kyseliny maleinove|Hydrazide maleique|MAH|Malazide|Maleic acid cyclic hydrazide|Maleic acid hydrazide|Maleic cyclic hydrazide|Maleic hydrazine|maleic-hydrazide|MALEINSAEUREHYDRAZID|Malepin|MH|MH 36 bayer|N,N-Maleoylhydrazine|NSC 13892|NSC 234167|NSC 48832|NSC 8823|piridazina-3,6-diol|Pyridazin-3,6-diol|Pyridazine-3,6-diol|RCRA waste number U148|Regulox|Regulox 50 W|Regulox W|Royal MH-30|Royal Slo-Gro|Sorbatran|Sprout-stop|Sprout/off|Stuntman|Sucker-stuff|Super De-Sprout|Super sprout stop|Super sucker-stuff|Super sucker-stuff HC|Super-de-sprout|UNII-T|10071-13-3|220787-04-2|48100-18-1|5425-79-6|66988-32-7|92335-53-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020792 https://doi.org/10.22427/NTP-DATA-DTXSID9020792
ARPathway2016 ARPathway2016_1492 Malic acid 6915-15-7 DTXSID0027640 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(CC(O)=O)C(O)=O Malic acid 6915-15-7|Malic acid|(+/-)-Malic acid|2-Hydroxy-succinic acid|2-Hydroxybutanedioic acid|2-Hydroxyethane-1,2-dicarboxylic acid|2-Hydroxysuccinic acid|Acide malique|acido malico|Aepfelsaeure|alpha-hydroxysuccinic acid|APFELSAEURE|Apfelsaure|apple acid|Butanedioic acid, 2-hydroxy-|Butanedioic acid, hydroxy-|Butanedioic acid, hydroxy-, (+/-)-|BUTANEDIOIC ACID, HYDROXY-, (D,L)-|Caswell No. 537|Deoxytetraric acid|DL-Malic acid|DL-MALIC ACID, HYDROXYSUCCINIC ACID|E296|EINECS 230-022-8|EPA Pesticide Chemical Code 051101|FDA 2018|FEMA No. 2655|FEMA Number 2655|H2mal|Hydroxybutandisaeure|Hydroxybutanedioic acid|Hydroxysuccinic acid|Kyselina hydroxybutandiova|Kyselina jablecna|Malates|MALIC ACID, DL|MALIC ACID, DL-|Malicum acidum|Monohydroxybernsteinsaeure|Monohydroxybutanedioic acid|Musashi-no-Ringosan|Nanoveson M|NSC 25941|Pomalus Acid|R,S(+/-)-Malic acid|Succinic acid, hydroxy-|UNII-817L1N4CKP|Xeros|a-Hydroxysuccinic acid|1334703-48-8|41308-42-3|617-48-1|623158-98-5|879715-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027640
ARPathway2016 ARPathway2016_1492 Malic acid 6915-15-7 DTXSID0027640 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(CC(O)=O)C(O)=O Malic acid 6915-15-7|Malic acid|(+/-)-Malic acid|2-Hydroxy-succinic acid|2-Hydroxybutanedioic acid|2-Hydroxyethane-1,2-dicarboxylic acid|2-Hydroxysuccinic acid|Acide malique|acido malico|Aepfelsaeure|alpha-hydroxysuccinic acid|APFELSAEURE|Apfelsaure|apple acid|Butanedioic acid, 2-hydroxy-|Butanedioic acid, hydroxy-|Butanedioic acid, hydroxy-, (+/-)-|BUTANEDIOIC ACID, HYDROXY-, (D,L)-|Caswell No. 537|Deoxytetraric acid|DL-Malic acid|DL-MALIC ACID, HYDROXYSUCCINIC ACID|E296|EINECS 230-022-8|EPA Pesticide Chemical Code 051101|FDA 2018|FEMA No. 2655|FEMA Number 2655|H2mal|Hydroxybutandisaeure|Hydroxybutanedioic acid|Hydroxysuccinic acid|Kyselina hydroxybutandiova|Kyselina jablecna|Malates|MALIC ACID, DL|MALIC ACID, DL-|Malicum acidum|Monohydroxybernsteinsaeure|Monohydroxybutanedioic acid|Musashi-no-Ringosan|Nanoveson M|NSC 25941|Pomalus Acid|R,S(+/-)-Malic acid|Succinic acid, hydroxy-|UNII-817L1N4CKP|Xeros|a-Hydroxysuccinic acid|1334703-48-8|41308-42-3|617-48-1|623158-98-5|879715-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027640
ARPathway2016 ARPathway2016_1492 Malic acid 6915-15-7 DTXSID0027640 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(CC(O)=O)C(O)=O Malic acid 6915-15-7|Malic acid|(+/-)-Malic acid|2-Hydroxy-succinic acid|2-Hydroxybutanedioic acid|2-Hydroxyethane-1,2-dicarboxylic acid|2-Hydroxysuccinic acid|Acide malique|acido malico|Aepfelsaeure|alpha-hydroxysuccinic acid|APFELSAEURE|Apfelsaure|apple acid|Butanedioic acid, 2-hydroxy-|Butanedioic acid, hydroxy-|Butanedioic acid, hydroxy-, (+/-)-|BUTANEDIOIC ACID, HYDROXY-, (D,L)-|Caswell No. 537|Deoxytetraric acid|DL-Malic acid|DL-MALIC ACID, HYDROXYSUCCINIC ACID|E296|EINECS 230-022-8|EPA Pesticide Chemical Code 051101|FDA 2018|FEMA No. 2655|FEMA Number 2655|H2mal|Hydroxybutandisaeure|Hydroxybutanedioic acid|Hydroxysuccinic acid|Kyselina hydroxybutandiova|Kyselina jablecna|Malates|MALIC ACID, DL|MALIC ACID, DL-|Malicum acidum|Monohydroxybernsteinsaeure|Monohydroxybutanedioic acid|Musashi-no-Ringosan|Nanoveson M|NSC 25941|Pomalus Acid|R,S(+/-)-Malic acid|Succinic acid, hydroxy-|UNII-817L1N4CKP|Xeros|a-Hydroxysuccinic acid|1334703-48-8|41308-42-3|617-48-1|623158-98-5|879715-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027640
ARPathway2016 ARPathway2016_1492 Malic acid 6915-15-7 DTXSID0027640 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(CC(O)=O)C(O)=O Malic acid 6915-15-7|Malic acid|(+/-)-Malic acid|2-Hydroxy-succinic acid|2-Hydroxybutanedioic acid|2-Hydroxyethane-1,2-dicarboxylic acid|2-Hydroxysuccinic acid|Acide malique|acido malico|Aepfelsaeure|alpha-hydroxysuccinic acid|APFELSAEURE|Apfelsaure|apple acid|Butanedioic acid, 2-hydroxy-|Butanedioic acid, hydroxy-|Butanedioic acid, hydroxy-, (+/-)-|BUTANEDIOIC ACID, HYDROXY-, (D,L)-|Caswell No. 537|Deoxytetraric acid|DL-Malic acid|DL-MALIC ACID, HYDROXYSUCCINIC ACID|E296|EINECS 230-022-8|EPA Pesticide Chemical Code 051101|FDA 2018|FEMA No. 2655|FEMA Number 2655|H2mal|Hydroxybutandisaeure|Hydroxybutanedioic acid|Hydroxysuccinic acid|Kyselina hydroxybutandiova|Kyselina jablecna|Malates|MALIC ACID, DL|MALIC ACID, DL-|Malicum acidum|Monohydroxybernsteinsaeure|Monohydroxybutanedioic acid|Musashi-no-Ringosan|Nanoveson M|NSC 25941|Pomalus Acid|R,S(+/-)-Malic acid|Succinic acid, hydroxy-|UNII-817L1N4CKP|Xeros|a-Hydroxysuccinic acid|1334703-48-8|41308-42-3|617-48-1|623158-98-5|879715-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027640
ERPathway2016 ERPathway2016_1615 Malic acid 6915-15-7 DTXSID0027640 ER Pathway Model, Agonist Model Score 0 Unitless OC(CC(O)=O)C(O)=O Malic acid 6915-15-7|Malic acid|(+/-)-Malic acid|2-Hydroxy-succinic acid|2-Hydroxybutanedioic acid|2-Hydroxyethane-1,2-dicarboxylic acid|2-Hydroxysuccinic acid|Acide malique|acido malico|Aepfelsaeure|alpha-hydroxysuccinic acid|APFELSAEURE|Apfelsaure|apple acid|Butanedioic acid, 2-hydroxy-|Butanedioic acid, hydroxy-|Butanedioic acid, hydroxy-, (+/-)-|BUTANEDIOIC ACID, HYDROXY-, (D,L)-|Caswell No. 537|Deoxytetraric acid|DL-Malic acid|DL-MALIC ACID, HYDROXYSUCCINIC ACID|E296|EINECS 230-022-8|EPA Pesticide Chemical Code 051101|FDA 2018|FEMA No. 2655|FEMA Number 2655|H2mal|Hydroxybutandisaeure|Hydroxybutanedioic acid|Hydroxysuccinic acid|Kyselina hydroxybutandiova|Kyselina jablecna|Malates|MALIC ACID, DL|MALIC ACID, DL-|Malicum acidum|Monohydroxybernsteinsaeure|Monohydroxybutanedioic acid|Musashi-no-Ringosan|Nanoveson M|NSC 25941|Pomalus Acid|R,S(+/-)-Malic acid|Succinic acid, hydroxy-|UNII-817L1N4CKP|Xeros|a-Hydroxysuccinic acid|1334703-48-8|41308-42-3|617-48-1|623158-98-5|879715-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027640
ERPathway2016 ERPathway2016_1615 Malic acid 6915-15-7 DTXSID0027640 ER Pathway Model, Antagonist Model Score 0 Unitless OC(CC(O)=O)C(O)=O Malic acid 6915-15-7|Malic acid|(+/-)-Malic acid|2-Hydroxy-succinic acid|2-Hydroxybutanedioic acid|2-Hydroxyethane-1,2-dicarboxylic acid|2-Hydroxysuccinic acid|Acide malique|acido malico|Aepfelsaeure|alpha-hydroxysuccinic acid|APFELSAEURE|Apfelsaure|apple acid|Butanedioic acid, 2-hydroxy-|Butanedioic acid, hydroxy-|Butanedioic acid, hydroxy-, (+/-)-|BUTANEDIOIC ACID, HYDROXY-, (D,L)-|Caswell No. 537|Deoxytetraric acid|DL-Malic acid|DL-MALIC ACID, HYDROXYSUCCINIC ACID|E296|EINECS 230-022-8|EPA Pesticide Chemical Code 051101|FDA 2018|FEMA No. 2655|FEMA Number 2655|H2mal|Hydroxybutandisaeure|Hydroxybutanedioic acid|Hydroxysuccinic acid|Kyselina hydroxybutandiova|Kyselina jablecna|Malates|MALIC ACID, DL|MALIC ACID, DL-|Malicum acidum|Monohydroxybernsteinsaeure|Monohydroxybutanedioic acid|Musashi-no-Ringosan|Nanoveson M|NSC 25941|Pomalus Acid|R,S(+/-)-Malic acid|Succinic acid, hydroxy-|UNII-817L1N4CKP|Xeros|a-Hydroxysuccinic acid|1334703-48-8|41308-42-3|617-48-1|623158-98-5|879715-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027640
ERPathway2016 ERPathway2016_1615 Malic acid 6915-15-7 DTXSID0027640 ER Pathway Model, Agonist Call Inactive Unitless OC(CC(O)=O)C(O)=O Malic acid 6915-15-7|Malic acid|(+/-)-Malic acid|2-Hydroxy-succinic acid|2-Hydroxybutanedioic acid|2-Hydroxyethane-1,2-dicarboxylic acid|2-Hydroxysuccinic acid|Acide malique|acido malico|Aepfelsaeure|alpha-hydroxysuccinic acid|APFELSAEURE|Apfelsaure|apple acid|Butanedioic acid, 2-hydroxy-|Butanedioic acid, hydroxy-|Butanedioic acid, hydroxy-, (+/-)-|BUTANEDIOIC ACID, HYDROXY-, (D,L)-|Caswell No. 537|Deoxytetraric acid|DL-Malic acid|DL-MALIC ACID, HYDROXYSUCCINIC ACID|E296|EINECS 230-022-8|EPA Pesticide Chemical Code 051101|FDA 2018|FEMA No. 2655|FEMA Number 2655|H2mal|Hydroxybutandisaeure|Hydroxybutanedioic acid|Hydroxysuccinic acid|Kyselina hydroxybutandiova|Kyselina jablecna|Malates|MALIC ACID, DL|MALIC ACID, DL-|Malicum acidum|Monohydroxybernsteinsaeure|Monohydroxybutanedioic acid|Musashi-no-Ringosan|Nanoveson M|NSC 25941|Pomalus Acid|R,S(+/-)-Malic acid|Succinic acid, hydroxy-|UNII-817L1N4CKP|Xeros|a-Hydroxysuccinic acid|1334703-48-8|41308-42-3|617-48-1|623158-98-5|879715-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027640
ERPathway2016 ERPathway2016_1615 Malic acid 6915-15-7 DTXSID0027640 ER Pathway Model, Antagonist Call Inactive Unitless OC(CC(O)=O)C(O)=O Malic acid 6915-15-7|Malic acid|(+/-)-Malic acid|2-Hydroxy-succinic acid|2-Hydroxybutanedioic acid|2-Hydroxyethane-1,2-dicarboxylic acid|2-Hydroxysuccinic acid|Acide malique|acido malico|Aepfelsaeure|alpha-hydroxysuccinic acid|APFELSAEURE|Apfelsaure|apple acid|Butanedioic acid, 2-hydroxy-|Butanedioic acid, hydroxy-|Butanedioic acid, hydroxy-, (+/-)-|BUTANEDIOIC ACID, HYDROXY-, (D,L)-|Caswell No. 537|Deoxytetraric acid|DL-Malic acid|DL-MALIC ACID, HYDROXYSUCCINIC ACID|E296|EINECS 230-022-8|EPA Pesticide Chemical Code 051101|FDA 2018|FEMA No. 2655|FEMA Number 2655|H2mal|Hydroxybutandisaeure|Hydroxybutanedioic acid|Hydroxysuccinic acid|Kyselina hydroxybutandiova|Kyselina jablecna|Malates|MALIC ACID, DL|MALIC ACID, DL-|Malicum acidum|Monohydroxybernsteinsaeure|Monohydroxybutanedioic acid|Musashi-no-Ringosan|Nanoveson M|NSC 25941|Pomalus Acid|R,S(+/-)-Malic acid|Succinic acid, hydroxy-|UNII-817L1N4CKP|Xeros|a-Hydroxysuccinic acid|1334703-48-8|41308-42-3|617-48-1|623158-98-5|879715-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027640
ARPathway2016 ARPathway2016_649 Maltol 118-71-8 DTXSID0025523 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(O)C(=O)C=CO1 Maltol 118-71-8|Maltol|2-Methyl pyromeconic acid|2-Methyl-3-hydroxy-4-pyrone|2-Methyl-3-hydroxypyran-4-one|2-Methyl-3-hydroxypyrone|2-Methyl-3-oxy-gamma-pyrone|2-Methylpyromeconic acid|3-hidroxi-2-metil-4-pirona|3-Hydroxy-2-methyl-1,4-pyrone|3-Hydroxy-2-methyl-4-pyranone|3-Hydroxy-2-methyl-4-pyron|3-Hydroxy-2-methyl-4-pyrone|3-Hydroxy-2-methyl-4H-pyran-4-one|3-Hydroxy-2-methyl-gamma-pyrone|3-hydroxy-2-methyl-pyran-4-one|3-Hydroxy-2-methyl-g-pyrone|3-hydroxy-2-methylpyran-4-one|4H-Pyran-4-one, 3-hydroxy-2-methyl-|5-18-01-00114|BRN 0112169|Corps praline|EINECS 204-271-8|FEMA No. 2656|Larixic acid|Larixinic acid|MALTOL, NATURAL|NSC 2829|NSC 404458|Palatone|PIROMATOL|PYR-4-ONE, 3-HYDROXY-2-METHYL-|UNII-3A9RD92BS4|Vetol https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025523 https://doi.org/10.22427/NTP-DATA-DTXSID0025523
ARPathway2016 ARPathway2016_649 Maltol 118-71-8 DTXSID0025523 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(O)C(=O)C=CO1 Maltol 118-71-8|Maltol|2-Methyl pyromeconic acid|2-Methyl-3-hydroxy-4-pyrone|2-Methyl-3-hydroxypyran-4-one|2-Methyl-3-hydroxypyrone|2-Methyl-3-oxy-gamma-pyrone|2-Methylpyromeconic acid|3-hidroxi-2-metil-4-pirona|3-Hydroxy-2-methyl-1,4-pyrone|3-Hydroxy-2-methyl-4-pyranone|3-Hydroxy-2-methyl-4-pyron|3-Hydroxy-2-methyl-4-pyrone|3-Hydroxy-2-methyl-4H-pyran-4-one|3-Hydroxy-2-methyl-gamma-pyrone|3-hydroxy-2-methyl-pyran-4-one|3-Hydroxy-2-methyl-g-pyrone|3-hydroxy-2-methylpyran-4-one|4H-Pyran-4-one, 3-hydroxy-2-methyl-|5-18-01-00114|BRN 0112169|Corps praline|EINECS 204-271-8|FEMA No. 2656|Larixic acid|Larixinic acid|MALTOL, NATURAL|NSC 2829|NSC 404458|Palatone|PIROMATOL|PYR-4-ONE, 3-HYDROXY-2-METHYL-|UNII-3A9RD92BS4|Vetol https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025523 https://doi.org/10.22427/NTP-DATA-DTXSID0025523
ARPathway2016 ARPathway2016_649 Maltol 118-71-8 DTXSID0025523 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(O)C(=O)C=CO1 Maltol 118-71-8|Maltol|2-Methyl pyromeconic acid|2-Methyl-3-hydroxy-4-pyrone|2-Methyl-3-hydroxypyran-4-one|2-Methyl-3-hydroxypyrone|2-Methyl-3-oxy-gamma-pyrone|2-Methylpyromeconic acid|3-hidroxi-2-metil-4-pirona|3-Hydroxy-2-methyl-1,4-pyrone|3-Hydroxy-2-methyl-4-pyranone|3-Hydroxy-2-methyl-4-pyron|3-Hydroxy-2-methyl-4-pyrone|3-Hydroxy-2-methyl-4H-pyran-4-one|3-Hydroxy-2-methyl-gamma-pyrone|3-hydroxy-2-methyl-pyran-4-one|3-Hydroxy-2-methyl-g-pyrone|3-hydroxy-2-methylpyran-4-one|4H-Pyran-4-one, 3-hydroxy-2-methyl-|5-18-01-00114|BRN 0112169|Corps praline|EINECS 204-271-8|FEMA No. 2656|Larixic acid|Larixinic acid|MALTOL, NATURAL|NSC 2829|NSC 404458|Palatone|PIROMATOL|PYR-4-ONE, 3-HYDROXY-2-METHYL-|UNII-3A9RD92BS4|Vetol https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025523 https://doi.org/10.22427/NTP-DATA-DTXSID0025523
ARPathway2016 ARPathway2016_649 Maltol 118-71-8 DTXSID0025523 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(O)C(=O)C=CO1 Maltol 118-71-8|Maltol|2-Methyl pyromeconic acid|2-Methyl-3-hydroxy-4-pyrone|2-Methyl-3-hydroxypyran-4-one|2-Methyl-3-hydroxypyrone|2-Methyl-3-oxy-gamma-pyrone|2-Methylpyromeconic acid|3-hidroxi-2-metil-4-pirona|3-Hydroxy-2-methyl-1,4-pyrone|3-Hydroxy-2-methyl-4-pyranone|3-Hydroxy-2-methyl-4-pyron|3-Hydroxy-2-methyl-4-pyrone|3-Hydroxy-2-methyl-4H-pyran-4-one|3-Hydroxy-2-methyl-gamma-pyrone|3-hydroxy-2-methyl-pyran-4-one|3-Hydroxy-2-methyl-g-pyrone|3-hydroxy-2-methylpyran-4-one|4H-Pyran-4-one, 3-hydroxy-2-methyl-|5-18-01-00114|BRN 0112169|Corps praline|EINECS 204-271-8|FEMA No. 2656|Larixic acid|Larixinic acid|MALTOL, NATURAL|NSC 2829|NSC 404458|Palatone|PIROMATOL|PYR-4-ONE, 3-HYDROXY-2-METHYL-|UNII-3A9RD92BS4|Vetol https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025523 https://doi.org/10.22427/NTP-DATA-DTXSID0025523
ERPathway2016 ERPathway2016_1198 Maltol 118-71-8 DTXSID0025523 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(O)C(=O)C=CO1 Maltol 118-71-8|Maltol|2-Methyl pyromeconic acid|2-Methyl-3-hydroxy-4-pyrone|2-Methyl-3-hydroxypyran-4-one|2-Methyl-3-hydroxypyrone|2-Methyl-3-oxy-gamma-pyrone|2-Methylpyromeconic acid|3-hidroxi-2-metil-4-pirona|3-Hydroxy-2-methyl-1,4-pyrone|3-Hydroxy-2-methyl-4-pyranone|3-Hydroxy-2-methyl-4-pyron|3-Hydroxy-2-methyl-4-pyrone|3-Hydroxy-2-methyl-4H-pyran-4-one|3-Hydroxy-2-methyl-gamma-pyrone|3-hydroxy-2-methyl-pyran-4-one|3-Hydroxy-2-methyl-g-pyrone|3-hydroxy-2-methylpyran-4-one|4H-Pyran-4-one, 3-hydroxy-2-methyl-|5-18-01-00114|BRN 0112169|Corps praline|EINECS 204-271-8|FEMA No. 2656|Larixic acid|Larixinic acid|MALTOL, NATURAL|NSC 2829|NSC 404458|Palatone|PIROMATOL|PYR-4-ONE, 3-HYDROXY-2-METHYL-|UNII-3A9RD92BS4|Vetol https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025523 https://doi.org/10.22427/NTP-DATA-DTXSID0025523
ERPathway2016 ERPathway2016_1198 Maltol 118-71-8 DTXSID0025523 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(O)C(=O)C=CO1 Maltol 118-71-8|Maltol|2-Methyl pyromeconic acid|2-Methyl-3-hydroxy-4-pyrone|2-Methyl-3-hydroxypyran-4-one|2-Methyl-3-hydroxypyrone|2-Methyl-3-oxy-gamma-pyrone|2-Methylpyromeconic acid|3-hidroxi-2-metil-4-pirona|3-Hydroxy-2-methyl-1,4-pyrone|3-Hydroxy-2-methyl-4-pyranone|3-Hydroxy-2-methyl-4-pyron|3-Hydroxy-2-methyl-4-pyrone|3-Hydroxy-2-methyl-4H-pyran-4-one|3-Hydroxy-2-methyl-gamma-pyrone|3-hydroxy-2-methyl-pyran-4-one|3-Hydroxy-2-methyl-g-pyrone|3-hydroxy-2-methylpyran-4-one|4H-Pyran-4-one, 3-hydroxy-2-methyl-|5-18-01-00114|BRN 0112169|Corps praline|EINECS 204-271-8|FEMA No. 2656|Larixic acid|Larixinic acid|MALTOL, NATURAL|NSC 2829|NSC 404458|Palatone|PIROMATOL|PYR-4-ONE, 3-HYDROXY-2-METHYL-|UNII-3A9RD92BS4|Vetol https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025523 https://doi.org/10.22427/NTP-DATA-DTXSID0025523
ERPathway2016 ERPathway2016_1198 Maltol 118-71-8 DTXSID0025523 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(O)C(=O)C=CO1 Maltol 118-71-8|Maltol|2-Methyl pyromeconic acid|2-Methyl-3-hydroxy-4-pyrone|2-Methyl-3-hydroxypyran-4-one|2-Methyl-3-hydroxypyrone|2-Methyl-3-oxy-gamma-pyrone|2-Methylpyromeconic acid|3-hidroxi-2-metil-4-pirona|3-Hydroxy-2-methyl-1,4-pyrone|3-Hydroxy-2-methyl-4-pyranone|3-Hydroxy-2-methyl-4-pyron|3-Hydroxy-2-methyl-4-pyrone|3-Hydroxy-2-methyl-4H-pyran-4-one|3-Hydroxy-2-methyl-gamma-pyrone|3-hydroxy-2-methyl-pyran-4-one|3-Hydroxy-2-methyl-g-pyrone|3-hydroxy-2-methylpyran-4-one|4H-Pyran-4-one, 3-hydroxy-2-methyl-|5-18-01-00114|BRN 0112169|Corps praline|EINECS 204-271-8|FEMA No. 2656|Larixic acid|Larixinic acid|MALTOL, NATURAL|NSC 2829|NSC 404458|Palatone|PIROMATOL|PYR-4-ONE, 3-HYDROXY-2-METHYL-|UNII-3A9RD92BS4|Vetol https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025523 https://doi.org/10.22427/NTP-DATA-DTXSID0025523
ERPathway2016 ERPathway2016_1198 Maltol 118-71-8 DTXSID0025523 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(O)C(=O)C=CO1 Maltol 118-71-8|Maltol|2-Methyl pyromeconic acid|2-Methyl-3-hydroxy-4-pyrone|2-Methyl-3-hydroxypyran-4-one|2-Methyl-3-hydroxypyrone|2-Methyl-3-oxy-gamma-pyrone|2-Methylpyromeconic acid|3-hidroxi-2-metil-4-pirona|3-Hydroxy-2-methyl-1,4-pyrone|3-Hydroxy-2-methyl-4-pyranone|3-Hydroxy-2-methyl-4-pyron|3-Hydroxy-2-methyl-4-pyrone|3-Hydroxy-2-methyl-4H-pyran-4-one|3-Hydroxy-2-methyl-gamma-pyrone|3-hydroxy-2-methyl-pyran-4-one|3-Hydroxy-2-methyl-g-pyrone|3-hydroxy-2-methylpyran-4-one|4H-Pyran-4-one, 3-hydroxy-2-methyl-|5-18-01-00114|BRN 0112169|Corps praline|EINECS 204-271-8|FEMA No. 2656|Larixic acid|Larixinic acid|MALTOL, NATURAL|NSC 2829|NSC 404458|Palatone|PIROMATOL|PYR-4-ONE, 3-HYDROXY-2-METHYL-|UNII-3A9RD92BS4|Vetol https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025523 https://doi.org/10.22427/NTP-DATA-DTXSID0025523
ARPathway2016 ARPathway2016_287 Mancozeb 8018-01-7 DTXSID0034695 1.0 Antagonist AR Pathway Model, Agonist AC50 44.11949168 uM [Mn++].[Zn++].[S-]C(=S)NCCNC([S-])=S.[S-]C(=S)NCCNC([S-])=S Mancozeb 8018-01-7|Mancozeb|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese mixture with (((1,2-ethanediylbis(carbamodithioato))(2-))zinc|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese zinc salt|(Ethylenebis(dithiocarbamato))manganese mixture with|[[1,2-Ethanediylbis[carbamodithioato]](2-)]-manganese mixt. with zinc|[1, 2-Ethaznediybis(carbamodithio)(2-)]manganese zinc salt|616-995-5|Acarie M|Blecar MN|Carbamic acid, ethylenebis[dithio-, manganese zinc complex|Carmazine|Caswell No. 913A|Crittox MZ|Diesen M|Dithane|Dithane 945|Dithane DG|Dithane F|Dithane F 45|Dithane LF|Dithane M 45|Dithane M 45 Poudrage|Dithane M80|Dithane S 60|Dithane SPC|Dithane ultra|EC No.: 616-995-5|EPA Pesticide Chemical Code 014504|Ethylenebis(dithiocarbamic acid) manganese zinc complex|Ethylenebis(dithiocarbamic acid)manganese zinc complex|Green-daisen M|Indofil M 45|Karamate|Karamate N|Kascade|Liro manzeb|Mancofol|Mancomix|Mancosan|Mancozan|Mancozebe|Mancozi|Mancozin|Maneb-zinc|Maneb-zineb-komplex|Maneb-zineb-mischkomplex|Mangan-zink-aethylendiami|1135443-01-4|12001-34-2|12656-69-8|1338-87-0|14376-54-6|172672-41-2|39432-69-4|56532-43-5|62712-14-5|67071-60-7|75789-54-7|8064-36-6|8065-67-6|8065-95-0|8069-51-0|84070-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034695
ARPathway2016 ARPathway2016_287 Mancozeb 8018-01-7 DTXSID0034695 1.0 Antagonist AR Pathway Model, Agonist ACC 21.0203824295473 uM [Mn++].[Zn++].[S-]C(=S)NCCNC([S-])=S.[S-]C(=S)NCCNC([S-])=S Mancozeb 8018-01-7|Mancozeb|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese mixture with (((1,2-ethanediylbis(carbamodithioato))(2-))zinc|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese zinc salt|(Ethylenebis(dithiocarbamato))manganese mixture with|[[1,2-Ethanediylbis[carbamodithioato]](2-)]-manganese mixt. with zinc|[1, 2-Ethaznediybis(carbamodithio)(2-)]manganese zinc salt|616-995-5|Acarie M|Blecar MN|Carbamic acid, ethylenebis[dithio-, manganese zinc complex|Carmazine|Caswell No. 913A|Crittox MZ|Diesen M|Dithane|Dithane 945|Dithane DG|Dithane F|Dithane F 45|Dithane LF|Dithane M 45|Dithane M 45 Poudrage|Dithane M80|Dithane S 60|Dithane SPC|Dithane ultra|EC No.: 616-995-5|EPA Pesticide Chemical Code 014504|Ethylenebis(dithiocarbamic acid) manganese zinc complex|Ethylenebis(dithiocarbamic acid)manganese zinc complex|Green-daisen M|Indofil M 45|Karamate|Karamate N|Kascade|Liro manzeb|Mancofol|Mancomix|Mancosan|Mancozan|Mancozebe|Mancozi|Mancozin|Maneb-zinc|Maneb-zineb-komplex|Maneb-zineb-mischkomplex|Mangan-zink-aethylendiami|1135443-01-4|12001-34-2|12656-69-8|1338-87-0|14376-54-6|172672-41-2|39432-69-4|56532-43-5|62712-14-5|67071-60-7|75789-54-7|8064-36-6|8065-67-6|8065-95-0|8069-51-0|84070-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034695
ARPathway2016 ARPathway2016_287 Mancozeb 8018-01-7 DTXSID0034695 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0517 Unitless [Mn++].[Zn++].[S-]C(=S)NCCNC([S-])=S.[S-]C(=S)NCCNC([S-])=S Mancozeb 8018-01-7|Mancozeb|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese mixture with (((1,2-ethanediylbis(carbamodithioato))(2-))zinc|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese zinc salt|(Ethylenebis(dithiocarbamato))manganese mixture with|[[1,2-Ethanediylbis[carbamodithioato]](2-)]-manganese mixt. with zinc|[1, 2-Ethaznediybis(carbamodithio)(2-)]manganese zinc salt|616-995-5|Acarie M|Blecar MN|Carbamic acid, ethylenebis[dithio-, manganese zinc complex|Carmazine|Caswell No. 913A|Crittox MZ|Diesen M|Dithane|Dithane 945|Dithane DG|Dithane F|Dithane F 45|Dithane LF|Dithane M 45|Dithane M 45 Poudrage|Dithane M80|Dithane S 60|Dithane SPC|Dithane ultra|EC No.: 616-995-5|EPA Pesticide Chemical Code 014504|Ethylenebis(dithiocarbamic acid) manganese zinc complex|Ethylenebis(dithiocarbamic acid)manganese zinc complex|Green-daisen M|Indofil M 45|Karamate|Karamate N|Kascade|Liro manzeb|Mancofol|Mancomix|Mancosan|Mancozan|Mancozebe|Mancozi|Mancozin|Maneb-zinc|Maneb-zineb-komplex|Maneb-zineb-mischkomplex|Mangan-zink-aethylendiami|1135443-01-4|12001-34-2|12656-69-8|1338-87-0|14376-54-6|172672-41-2|39432-69-4|56532-43-5|62712-14-5|67071-60-7|75789-54-7|8064-36-6|8065-67-6|8065-95-0|8069-51-0|84070-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034695
ARPathway2016 ARPathway2016_287 Mancozeb 8018-01-7 DTXSID0034695 1.0 Antagonist AR Pathway Model, Agonist Model Score 0.026 Unitless [Mn++].[Zn++].[S-]C(=S)NCCNC([S-])=S.[S-]C(=S)NCCNC([S-])=S Mancozeb 8018-01-7|Mancozeb|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese mixture with (((1,2-ethanediylbis(carbamodithioato))(2-))zinc|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese zinc salt|(Ethylenebis(dithiocarbamato))manganese mixture with|[[1,2-Ethanediylbis[carbamodithioato]](2-)]-manganese mixt. with zinc|[1, 2-Ethaznediybis(carbamodithio)(2-)]manganese zinc salt|616-995-5|Acarie M|Blecar MN|Carbamic acid, ethylenebis[dithio-, manganese zinc complex|Carmazine|Caswell No. 913A|Crittox MZ|Diesen M|Dithane|Dithane 945|Dithane DG|Dithane F|Dithane F 45|Dithane LF|Dithane M 45|Dithane M 45 Poudrage|Dithane M80|Dithane S 60|Dithane SPC|Dithane ultra|EC No.: 616-995-5|EPA Pesticide Chemical Code 014504|Ethylenebis(dithiocarbamic acid) manganese zinc complex|Ethylenebis(dithiocarbamic acid)manganese zinc complex|Green-daisen M|Indofil M 45|Karamate|Karamate N|Kascade|Liro manzeb|Mancofol|Mancomix|Mancosan|Mancozan|Mancozebe|Mancozi|Mancozin|Maneb-zinc|Maneb-zineb-komplex|Maneb-zineb-mischkomplex|Mangan-zink-aethylendiami|1135443-01-4|12001-34-2|12656-69-8|1338-87-0|14376-54-6|172672-41-2|39432-69-4|56532-43-5|62712-14-5|67071-60-7|75789-54-7|8064-36-6|8065-67-6|8065-95-0|8069-51-0|84070-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034695
ARPathway2016 ARPathway2016_287 Mancozeb 8018-01-7 DTXSID0034695 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Mn++].[Zn++].[S-]C(=S)NCCNC([S-])=S.[S-]C(=S)NCCNC([S-])=S Mancozeb 8018-01-7|Mancozeb|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese mixture with (((1,2-ethanediylbis(carbamodithioato))(2-))zinc|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese zinc salt|(Ethylenebis(dithiocarbamato))manganese mixture with|[[1,2-Ethanediylbis[carbamodithioato]](2-)]-manganese mixt. with zinc|[1, 2-Ethaznediybis(carbamodithio)(2-)]manganese zinc salt|616-995-5|Acarie M|Blecar MN|Carbamic acid, ethylenebis[dithio-, manganese zinc complex|Carmazine|Caswell No. 913A|Crittox MZ|Diesen M|Dithane|Dithane 945|Dithane DG|Dithane F|Dithane F 45|Dithane LF|Dithane M 45|Dithane M 45 Poudrage|Dithane M80|Dithane S 60|Dithane SPC|Dithane ultra|EC No.: 616-995-5|EPA Pesticide Chemical Code 014504|Ethylenebis(dithiocarbamic acid) manganese zinc complex|Ethylenebis(dithiocarbamic acid)manganese zinc complex|Green-daisen M|Indofil M 45|Karamate|Karamate N|Kascade|Liro manzeb|Mancofol|Mancomix|Mancosan|Mancozan|Mancozebe|Mancozi|Mancozin|Maneb-zinc|Maneb-zineb-komplex|Maneb-zineb-mischkomplex|Mangan-zink-aethylendiami|1135443-01-4|12001-34-2|12656-69-8|1338-87-0|14376-54-6|172672-41-2|39432-69-4|56532-43-5|62712-14-5|67071-60-7|75789-54-7|8064-36-6|8065-67-6|8065-95-0|8069-51-0|84070-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034695
ARPathway2016 ARPathway2016_287 Mancozeb 8018-01-7 DTXSID0034695 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Mn++].[Zn++].[S-]C(=S)NCCNC([S-])=S.[S-]C(=S)NCCNC([S-])=S Mancozeb 8018-01-7|Mancozeb|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese mixture with (((1,2-ethanediylbis(carbamodithioato))(2-))zinc|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese zinc salt|(Ethylenebis(dithiocarbamato))manganese mixture with|[[1,2-Ethanediylbis[carbamodithioato]](2-)]-manganese mixt. with zinc|[1, 2-Ethaznediybis(carbamodithio)(2-)]manganese zinc salt|616-995-5|Acarie M|Blecar MN|Carbamic acid, ethylenebis[dithio-, manganese zinc complex|Carmazine|Caswell No. 913A|Crittox MZ|Diesen M|Dithane|Dithane 945|Dithane DG|Dithane F|Dithane F 45|Dithane LF|Dithane M 45|Dithane M 45 Poudrage|Dithane M80|Dithane S 60|Dithane SPC|Dithane ultra|EC No.: 616-995-5|EPA Pesticide Chemical Code 014504|Ethylenebis(dithiocarbamic acid) manganese zinc complex|Ethylenebis(dithiocarbamic acid)manganese zinc complex|Green-daisen M|Indofil M 45|Karamate|Karamate N|Kascade|Liro manzeb|Mancofol|Mancomix|Mancosan|Mancozan|Mancozebe|Mancozi|Mancozin|Maneb-zinc|Maneb-zineb-komplex|Maneb-zineb-mischkomplex|Mangan-zink-aethylendiami|1135443-01-4|12001-34-2|12656-69-8|1338-87-0|14376-54-6|172672-41-2|39432-69-4|56532-43-5|62712-14-5|67071-60-7|75789-54-7|8064-36-6|8065-67-6|8065-95-0|8069-51-0|84070-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034695
ERPathway2016 ERPathway2016_1680 Mancozeb 8018-01-7 DTXSID0034695 ER Pathway Model, Agonist Model Score 0 Unitless [Mn++].[Zn++].[S-]C(=S)NCCNC([S-])=S.[S-]C(=S)NCCNC([S-])=S Mancozeb 8018-01-7|Mancozeb|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese mixture with (((1,2-ethanediylbis(carbamodithioato))(2-))zinc|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese zinc salt|(Ethylenebis(dithiocarbamato))manganese mixture with|[[1,2-Ethanediylbis[carbamodithioato]](2-)]-manganese mixt. with zinc|[1, 2-Ethaznediybis(carbamodithio)(2-)]manganese zinc salt|616-995-5|Acarie M|Blecar MN|Carbamic acid, ethylenebis[dithio-, manganese zinc complex|Carmazine|Caswell No. 913A|Crittox MZ|Diesen M|Dithane|Dithane 945|Dithane DG|Dithane F|Dithane F 45|Dithane LF|Dithane M 45|Dithane M 45 Poudrage|Dithane M80|Dithane S 60|Dithane SPC|Dithane ultra|EC No.: 616-995-5|EPA Pesticide Chemical Code 014504|Ethylenebis(dithiocarbamic acid) manganese zinc complex|Ethylenebis(dithiocarbamic acid)manganese zinc complex|Green-daisen M|Indofil M 45|Karamate|Karamate N|Kascade|Liro manzeb|Mancofol|Mancomix|Mancosan|Mancozan|Mancozebe|Mancozi|Mancozin|Maneb-zinc|Maneb-zineb-komplex|Maneb-zineb-mischkomplex|Mangan-zink-aethylendiami|1135443-01-4|12001-34-2|12656-69-8|1338-87-0|14376-54-6|172672-41-2|39432-69-4|56532-43-5|62712-14-5|67071-60-7|75789-54-7|8064-36-6|8065-67-6|8065-95-0|8069-51-0|84070-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034695
ERPathway2016 ERPathway2016_1680 Mancozeb 8018-01-7 DTXSID0034695 ER Pathway Model, Antagonist Model Score 0 Unitless [Mn++].[Zn++].[S-]C(=S)NCCNC([S-])=S.[S-]C(=S)NCCNC([S-])=S Mancozeb 8018-01-7|Mancozeb|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese mixture with (((1,2-ethanediylbis(carbamodithioato))(2-))zinc|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese zinc salt|(Ethylenebis(dithiocarbamato))manganese mixture with|[[1,2-Ethanediylbis[carbamodithioato]](2-)]-manganese mixt. with zinc|[1, 2-Ethaznediybis(carbamodithio)(2-)]manganese zinc salt|616-995-5|Acarie M|Blecar MN|Carbamic acid, ethylenebis[dithio-, manganese zinc complex|Carmazine|Caswell No. 913A|Crittox MZ|Diesen M|Dithane|Dithane 945|Dithane DG|Dithane F|Dithane F 45|Dithane LF|Dithane M 45|Dithane M 45 Poudrage|Dithane M80|Dithane S 60|Dithane SPC|Dithane ultra|EC No.: 616-995-5|EPA Pesticide Chemical Code 014504|Ethylenebis(dithiocarbamic acid) manganese zinc complex|Ethylenebis(dithiocarbamic acid)manganese zinc complex|Green-daisen M|Indofil M 45|Karamate|Karamate N|Kascade|Liro manzeb|Mancofol|Mancomix|Mancosan|Mancozan|Mancozebe|Mancozi|Mancozin|Maneb-zinc|Maneb-zineb-komplex|Maneb-zineb-mischkomplex|Mangan-zink-aethylendiami|1135443-01-4|12001-34-2|12656-69-8|1338-87-0|14376-54-6|172672-41-2|39432-69-4|56532-43-5|62712-14-5|67071-60-7|75789-54-7|8064-36-6|8065-67-6|8065-95-0|8069-51-0|84070-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034695
ERPathway2016 ERPathway2016_1680 Mancozeb 8018-01-7 DTXSID0034695 ER Pathway Model, Agonist Call Inactive Unitless [Mn++].[Zn++].[S-]C(=S)NCCNC([S-])=S.[S-]C(=S)NCCNC([S-])=S Mancozeb 8018-01-7|Mancozeb|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese mixture with (((1,2-ethanediylbis(carbamodithioato))(2-))zinc|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese zinc salt|(Ethylenebis(dithiocarbamato))manganese mixture with|[[1,2-Ethanediylbis[carbamodithioato]](2-)]-manganese mixt. with zinc|[1, 2-Ethaznediybis(carbamodithio)(2-)]manganese zinc salt|616-995-5|Acarie M|Blecar MN|Carbamic acid, ethylenebis[dithio-, manganese zinc complex|Carmazine|Caswell No. 913A|Crittox MZ|Diesen M|Dithane|Dithane 945|Dithane DG|Dithane F|Dithane F 45|Dithane LF|Dithane M 45|Dithane M 45 Poudrage|Dithane M80|Dithane S 60|Dithane SPC|Dithane ultra|EC No.: 616-995-5|EPA Pesticide Chemical Code 014504|Ethylenebis(dithiocarbamic acid) manganese zinc complex|Ethylenebis(dithiocarbamic acid)manganese zinc complex|Green-daisen M|Indofil M 45|Karamate|Karamate N|Kascade|Liro manzeb|Mancofol|Mancomix|Mancosan|Mancozan|Mancozebe|Mancozi|Mancozin|Maneb-zinc|Maneb-zineb-komplex|Maneb-zineb-mischkomplex|Mangan-zink-aethylendiami|1135443-01-4|12001-34-2|12656-69-8|1338-87-0|14376-54-6|172672-41-2|39432-69-4|56532-43-5|62712-14-5|67071-60-7|75789-54-7|8064-36-6|8065-67-6|8065-95-0|8069-51-0|84070-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034695
ERPathway2016 ERPathway2016_1680 Mancozeb 8018-01-7 DTXSID0034695 ER Pathway Model, Antagonist Call Inactive Unitless [Mn++].[Zn++].[S-]C(=S)NCCNC([S-])=S.[S-]C(=S)NCCNC([S-])=S Mancozeb 8018-01-7|Mancozeb|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese mixture with (((1,2-ethanediylbis(carbamodithioato))(2-))zinc|((1,2-Ethanediylbis(carbamodithioato))(2-)) manganese zinc salt|(Ethylenebis(dithiocarbamato))manganese mixture with|[[1,2-Ethanediylbis[carbamodithioato]](2-)]-manganese mixt. with zinc|[1, 2-Ethaznediybis(carbamodithio)(2-)]manganese zinc salt|616-995-5|Acarie M|Blecar MN|Carbamic acid, ethylenebis[dithio-, manganese zinc complex|Carmazine|Caswell No. 913A|Crittox MZ|Diesen M|Dithane|Dithane 945|Dithane DG|Dithane F|Dithane F 45|Dithane LF|Dithane M 45|Dithane M 45 Poudrage|Dithane M80|Dithane S 60|Dithane SPC|Dithane ultra|EC No.: 616-995-5|EPA Pesticide Chemical Code 014504|Ethylenebis(dithiocarbamic acid) manganese zinc complex|Ethylenebis(dithiocarbamic acid)manganese zinc complex|Green-daisen M|Indofil M 45|Karamate|Karamate N|Kascade|Liro manzeb|Mancofol|Mancomix|Mancosan|Mancozan|Mancozebe|Mancozi|Mancozin|Maneb-zinc|Maneb-zineb-komplex|Maneb-zineb-mischkomplex|Mangan-zink-aethylendiami|1135443-01-4|12001-34-2|12656-69-8|1338-87-0|14376-54-6|172672-41-2|39432-69-4|56532-43-5|62712-14-5|67071-60-7|75789-54-7|8064-36-6|8065-67-6|8065-95-0|8069-51-0|84070-12-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034695
ARPathway2016 ARPathway2016_42 Maneb 12427-38-2 DTXSID9020794 1.0 A3 AR Pathway Model, Agonist AC50 37.3279923464124 uM S=C1NCCNC(=S)S[Mn]S1 Maneb 12427-38-2|Maneb|((1,2 ethanediylbis(carbamodithioato)(2-))manganese|(1,2 ethanediylbis(carbamodithioato)(2-))manganese|[1,2-Ethanediylbis[carbamodithioato](2-)]manganese|[N-[2-[(Dithiocarboxy)amino]ethyl]carbamodithioato(2-)-kS,kS']manganese|1,2-Ethanediylbis(carbamodithioato)(2-)-manganese|1,2-Ethanediylbiscarbamodithioic acid, manganese complex|1,2-Ethanediylbiscarbamodithioic acid, manganese(2+) salt (1:1)|1,2-Ethanediylbismaneb, manganese(2+) salt (1:1)|1,2-Ethylenediylbis(carbamodithioato)manganese|AAmangan|Agrox flowable|Agrox N-M|Akzo chemie maneb|BASF-maneb spritzpulver|Carbamic acid, ethylenebis(dithio-, manganese salt|Carbamodithioic acid, 1,2-ethanediylbis-, manganese complex|Carbamodithioic acid, 1,2-ethanediylbis-, manganese(2+) salt (1:1)|Caswell No. 539|Chem neb|Chloroble M|Curzate M|Dithane M 22|Dithane M 22 special|EINECS 235-654-8|EPA Pesticide Chemical Code 014505|Ethylenebis(dithiocarbamato), manganese|Ethylenebis(dithiocarbamato)manganese|Ethylenebis(dithiocarbamic acid) manganous salt|Ethylenebis[di|11004-49-2|1135443-02-5|12125-33-6|133317-06-3|20316-06-7|28355-56-8|301-03-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020794
ARPathway2016 ARPathway2016_42 Maneb 12427-38-2 DTXSID9020794 1.0 A3 AR Pathway Model, Agonist ACC 76.0403269000001 uM S=C1NCCNC(=S)S[Mn]S1 Maneb 12427-38-2|Maneb|((1,2 ethanediylbis(carbamodithioato)(2-))manganese|(1,2 ethanediylbis(carbamodithioato)(2-))manganese|[1,2-Ethanediylbis[carbamodithioato](2-)]manganese|[N-[2-[(Dithiocarboxy)amino]ethyl]carbamodithioato(2-)-kS,kS']manganese|1,2-Ethanediylbis(carbamodithioato)(2-)-manganese|1,2-Ethanediylbiscarbamodithioic acid, manganese complex|1,2-Ethanediylbiscarbamodithioic acid, manganese(2+) salt (1:1)|1,2-Ethanediylbismaneb, manganese(2+) salt (1:1)|1,2-Ethylenediylbis(carbamodithioato)manganese|AAmangan|Agrox flowable|Agrox N-M|Akzo chemie maneb|BASF-maneb spritzpulver|Carbamic acid, ethylenebis(dithio-, manganese salt|Carbamodithioic acid, 1,2-ethanediylbis-, manganese complex|Carbamodithioic acid, 1,2-ethanediylbis-, manganese(2+) salt (1:1)|Caswell No. 539|Chem neb|Chloroble M|Curzate M|Dithane M 22|Dithane M 22 special|EINECS 235-654-8|EPA Pesticide Chemical Code 014505|Ethylenebis(dithiocarbamato), manganese|Ethylenebis(dithiocarbamato)manganese|Ethylenebis(dithiocarbamic acid) manganous salt|Ethylenebis[di|11004-49-2|1135443-02-5|12125-33-6|133317-06-3|20316-06-7|28355-56-8|301-03-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020794
ARPathway2016 ARPathway2016_42 Maneb 12427-38-2 DTXSID9020794 1.0 A3 AR Pathway Model, Antagonist Model Score 0.0129 Unitless S=C1NCCNC(=S)S[Mn]S1 Maneb 12427-38-2|Maneb|((1,2 ethanediylbis(carbamodithioato)(2-))manganese|(1,2 ethanediylbis(carbamodithioato)(2-))manganese|[1,2-Ethanediylbis[carbamodithioato](2-)]manganese|[N-[2-[(Dithiocarboxy)amino]ethyl]carbamodithioato(2-)-kS,kS']manganese|1,2-Ethanediylbis(carbamodithioato)(2-)-manganese|1,2-Ethanediylbiscarbamodithioic acid, manganese complex|1,2-Ethanediylbiscarbamodithioic acid, manganese(2+) salt (1:1)|1,2-Ethanediylbismaneb, manganese(2+) salt (1:1)|1,2-Ethylenediylbis(carbamodithioato)manganese|AAmangan|Agrox flowable|Agrox N-M|Akzo chemie maneb|BASF-maneb spritzpulver|Carbamic acid, ethylenebis(dithio-, manganese salt|Carbamodithioic acid, 1,2-ethanediylbis-, manganese complex|Carbamodithioic acid, 1,2-ethanediylbis-, manganese(2+) salt (1:1)|Caswell No. 539|Chem neb|Chloroble M|Curzate M|Dithane M 22|Dithane M 22 special|EINECS 235-654-8|EPA Pesticide Chemical Code 014505|Ethylenebis(dithiocarbamato), manganese|Ethylenebis(dithiocarbamato)manganese|Ethylenebis(dithiocarbamic acid) manganous salt|Ethylenebis[di|11004-49-2|1135443-02-5|12125-33-6|133317-06-3|20316-06-7|28355-56-8|301-03-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020794
ARPathway2016 ARPathway2016_42 Maneb 12427-38-2 DTXSID9020794 1.0 A3 AR Pathway Model, Agonist Model Score 0.00672 Unitless S=C1NCCNC(=S)S[Mn]S1 Maneb 12427-38-2|Maneb|((1,2 ethanediylbis(carbamodithioato)(2-))manganese|(1,2 ethanediylbis(carbamodithioato)(2-))manganese|[1,2-Ethanediylbis[carbamodithioato](2-)]manganese|[N-[2-[(Dithiocarboxy)amino]ethyl]carbamodithioato(2-)-kS,kS']manganese|1,2-Ethanediylbis(carbamodithioato)(2-)-manganese|1,2-Ethanediylbiscarbamodithioic acid, manganese complex|1,2-Ethanediylbiscarbamodithioic acid, manganese(2+) salt (1:1)|1,2-Ethanediylbismaneb, manganese(2+) salt (1:1)|1,2-Ethylenediylbis(carbamodithioato)manganese|AAmangan|Agrox flowable|Agrox N-M|Akzo chemie maneb|BASF-maneb spritzpulver|Carbamic acid, ethylenebis(dithio-, manganese salt|Carbamodithioic acid, 1,2-ethanediylbis-, manganese complex|Carbamodithioic acid, 1,2-ethanediylbis-, manganese(2+) salt (1:1)|Caswell No. 539|Chem neb|Chloroble M|Curzate M|Dithane M 22|Dithane M 22 special|EINECS 235-654-8|EPA Pesticide Chemical Code 014505|Ethylenebis(dithiocarbamato), manganese|Ethylenebis(dithiocarbamato)manganese|Ethylenebis(dithiocarbamic acid) manganous salt|Ethylenebis[di|11004-49-2|1135443-02-5|12125-33-6|133317-06-3|20316-06-7|28355-56-8|301-03-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020794
ARPathway2016 ARPathway2016_42 Maneb 12427-38-2 DTXSID9020794 1.0 A3 AR Pathway Model, Agonist Call Active Unitless S=C1NCCNC(=S)S[Mn]S1 Maneb 12427-38-2|Maneb|((1,2 ethanediylbis(carbamodithioato)(2-))manganese|(1,2 ethanediylbis(carbamodithioato)(2-))manganese|[1,2-Ethanediylbis[carbamodithioato](2-)]manganese|[N-[2-[(Dithiocarboxy)amino]ethyl]carbamodithioato(2-)-kS,kS']manganese|1,2-Ethanediylbis(carbamodithioato)(2-)-manganese|1,2-Ethanediylbiscarbamodithioic acid, manganese complex|1,2-Ethanediylbiscarbamodithioic acid, manganese(2+) salt (1:1)|1,2-Ethanediylbismaneb, manganese(2+) salt (1:1)|1,2-Ethylenediylbis(carbamodithioato)manganese|AAmangan|Agrox flowable|Agrox N-M|Akzo chemie maneb|BASF-maneb spritzpulver|Carbamic acid, ethylenebis(dithio-, manganese salt|Carbamodithioic acid, 1,2-ethanediylbis-, manganese complex|Carbamodithioic acid, 1,2-ethanediylbis-, manganese(2+) salt (1:1)|Caswell No. 539|Chem neb|Chloroble M|Curzate M|Dithane M 22|Dithane M 22 special|EINECS 235-654-8|EPA Pesticide Chemical Code 014505|Ethylenebis(dithiocarbamato), manganese|Ethylenebis(dithiocarbamato)manganese|Ethylenebis(dithiocarbamic acid) manganous salt|Ethylenebis[di|11004-49-2|1135443-02-5|12125-33-6|133317-06-3|20316-06-7|28355-56-8|301-03-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020794
ARPathway2016 ARPathway2016_42 Maneb 12427-38-2 DTXSID9020794 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless S=C1NCCNC(=S)S[Mn]S1 Maneb 12427-38-2|Maneb|((1,2 ethanediylbis(carbamodithioato)(2-))manganese|(1,2 ethanediylbis(carbamodithioato)(2-))manganese|[1,2-Ethanediylbis[carbamodithioato](2-)]manganese|[N-[2-[(Dithiocarboxy)amino]ethyl]carbamodithioato(2-)-kS,kS']manganese|1,2-Ethanediylbis(carbamodithioato)(2-)-manganese|1,2-Ethanediylbiscarbamodithioic acid, manganese complex|1,2-Ethanediylbiscarbamodithioic acid, manganese(2+) salt (1:1)|1,2-Ethanediylbismaneb, manganese(2+) salt (1:1)|1,2-Ethylenediylbis(carbamodithioato)manganese|AAmangan|Agrox flowable|Agrox N-M|Akzo chemie maneb|BASF-maneb spritzpulver|Carbamic acid, ethylenebis(dithio-, manganese salt|Carbamodithioic acid, 1,2-ethanediylbis-, manganese complex|Carbamodithioic acid, 1,2-ethanediylbis-, manganese(2+) salt (1:1)|Caswell No. 539|Chem neb|Chloroble M|Curzate M|Dithane M 22|Dithane M 22 special|EINECS 235-654-8|EPA Pesticide Chemical Code 014505|Ethylenebis(dithiocarbamato), manganese|Ethylenebis(dithiocarbamato)manganese|Ethylenebis(dithiocarbamic acid) manganous salt|Ethylenebis[di|11004-49-2|1135443-02-5|12125-33-6|133317-06-3|20316-06-7|28355-56-8|301-03-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020794
ERPathway2016 ERPathway2016_1246 Maneb 12427-38-2 DTXSID9020794 ER Pathway Model, Agonist Model Score 0 Unitless S=C1NCCNC(=S)S[Mn]S1 Maneb 12427-38-2|Maneb|((1,2 ethanediylbis(carbamodithioato)(2-))manganese|(1,2 ethanediylbis(carbamodithioato)(2-))manganese|[1,2-Ethanediylbis[carbamodithioato](2-)]manganese|[N-[2-[(Dithiocarboxy)amino]ethyl]carbamodithioato(2-)-kS,kS']manganese|1,2-Ethanediylbis(carbamodithioato)(2-)-manganese|1,2-Ethanediylbiscarbamodithioic acid, manganese complex|1,2-Ethanediylbiscarbamodithioic acid, manganese(2+) salt (1:1)|1,2-Ethanediylbismaneb, manganese(2+) salt (1:1)|1,2-Ethylenediylbis(carbamodithioato)manganese|AAmangan|Agrox flowable|Agrox N-M|Akzo chemie maneb|BASF-maneb spritzpulver|Carbamic acid, ethylenebis(dithio-, manganese salt|Carbamodithioic acid, 1,2-ethanediylbis-, manganese complex|Carbamodithioic acid, 1,2-ethanediylbis-, manganese(2+) salt (1:1)|Caswell No. 539|Chem neb|Chloroble M|Curzate M|Dithane M 22|Dithane M 22 special|EINECS 235-654-8|EPA Pesticide Chemical Code 014505|Ethylenebis(dithiocarbamato), manganese|Ethylenebis(dithiocarbamato)manganese|Ethylenebis(dithiocarbamic acid) manganous salt|Ethylenebis[di|11004-49-2|1135443-02-5|12125-33-6|133317-06-3|20316-06-7|28355-56-8|301-03-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020794
ERPathway2016 ERPathway2016_1246 Maneb 12427-38-2 DTXSID9020794 ER Pathway Model, Antagonist Model Score 0 Unitless S=C1NCCNC(=S)S[Mn]S1 Maneb 12427-38-2|Maneb|((1,2 ethanediylbis(carbamodithioato)(2-))manganese|(1,2 ethanediylbis(carbamodithioato)(2-))manganese|[1,2-Ethanediylbis[carbamodithioato](2-)]manganese|[N-[2-[(Dithiocarboxy)amino]ethyl]carbamodithioato(2-)-kS,kS']manganese|1,2-Ethanediylbis(carbamodithioato)(2-)-manganese|1,2-Ethanediylbiscarbamodithioic acid, manganese complex|1,2-Ethanediylbiscarbamodithioic acid, manganese(2+) salt (1:1)|1,2-Ethanediylbismaneb, manganese(2+) salt (1:1)|1,2-Ethylenediylbis(carbamodithioato)manganese|AAmangan|Agrox flowable|Agrox N-M|Akzo chemie maneb|BASF-maneb spritzpulver|Carbamic acid, ethylenebis(dithio-, manganese salt|Carbamodithioic acid, 1,2-ethanediylbis-, manganese complex|Carbamodithioic acid, 1,2-ethanediylbis-, manganese(2+) salt (1:1)|Caswell No. 539|Chem neb|Chloroble M|Curzate M|Dithane M 22|Dithane M 22 special|EINECS 235-654-8|EPA Pesticide Chemical Code 014505|Ethylenebis(dithiocarbamato), manganese|Ethylenebis(dithiocarbamato)manganese|Ethylenebis(dithiocarbamic acid) manganous salt|Ethylenebis[di|11004-49-2|1135443-02-5|12125-33-6|133317-06-3|20316-06-7|28355-56-8|301-03-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020794
ERPathway2016 ERPathway2016_1246 Maneb 12427-38-2 DTXSID9020794 ER Pathway Model, Agonist Call Inactive Unitless S=C1NCCNC(=S)S[Mn]S1 Maneb 12427-38-2|Maneb|((1,2 ethanediylbis(carbamodithioato)(2-))manganese|(1,2 ethanediylbis(carbamodithioato)(2-))manganese|[1,2-Ethanediylbis[carbamodithioato](2-)]manganese|[N-[2-[(Dithiocarboxy)amino]ethyl]carbamodithioato(2-)-kS,kS']manganese|1,2-Ethanediylbis(carbamodithioato)(2-)-manganese|1,2-Ethanediylbiscarbamodithioic acid, manganese complex|1,2-Ethanediylbiscarbamodithioic acid, manganese(2+) salt (1:1)|1,2-Ethanediylbismaneb, manganese(2+) salt (1:1)|1,2-Ethylenediylbis(carbamodithioato)manganese|AAmangan|Agrox flowable|Agrox N-M|Akzo chemie maneb|BASF-maneb spritzpulver|Carbamic acid, ethylenebis(dithio-, manganese salt|Carbamodithioic acid, 1,2-ethanediylbis-, manganese complex|Carbamodithioic acid, 1,2-ethanediylbis-, manganese(2+) salt (1:1)|Caswell No. 539|Chem neb|Chloroble M|Curzate M|Dithane M 22|Dithane M 22 special|EINECS 235-654-8|EPA Pesticide Chemical Code 014505|Ethylenebis(dithiocarbamato), manganese|Ethylenebis(dithiocarbamato)manganese|Ethylenebis(dithiocarbamic acid) manganous salt|Ethylenebis[di|11004-49-2|1135443-02-5|12125-33-6|133317-06-3|20316-06-7|28355-56-8|301-03-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020794
ERPathway2016 ERPathway2016_1246 Maneb 12427-38-2 DTXSID9020794 ER Pathway Model, Antagonist Call Inactive Unitless S=C1NCCNC(=S)S[Mn]S1 Maneb 12427-38-2|Maneb|((1,2 ethanediylbis(carbamodithioato)(2-))manganese|(1,2 ethanediylbis(carbamodithioato)(2-))manganese|[1,2-Ethanediylbis[carbamodithioato](2-)]manganese|[N-[2-[(Dithiocarboxy)amino]ethyl]carbamodithioato(2-)-kS,kS']manganese|1,2-Ethanediylbis(carbamodithioato)(2-)-manganese|1,2-Ethanediylbiscarbamodithioic acid, manganese complex|1,2-Ethanediylbiscarbamodithioic acid, manganese(2+) salt (1:1)|1,2-Ethanediylbismaneb, manganese(2+) salt (1:1)|1,2-Ethylenediylbis(carbamodithioato)manganese|AAmangan|Agrox flowable|Agrox N-M|Akzo chemie maneb|BASF-maneb spritzpulver|Carbamic acid, ethylenebis(dithio-, manganese salt|Carbamodithioic acid, 1,2-ethanediylbis-, manganese complex|Carbamodithioic acid, 1,2-ethanediylbis-, manganese(2+) salt (1:1)|Caswell No. 539|Chem neb|Chloroble M|Curzate M|Dithane M 22|Dithane M 22 special|EINECS 235-654-8|EPA Pesticide Chemical Code 014505|Ethylenebis(dithiocarbamato), manganese|Ethylenebis(dithiocarbamato)manganese|Ethylenebis(dithiocarbamic acid) manganous salt|Ethylenebis[di|11004-49-2|1135443-02-5|12125-33-6|133317-06-3|20316-06-7|28355-56-8|301-03-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020794
ARPathway2016 ARPathway2016_508 m-Cresol 108-39-4 DTXSID6024200 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(O)=CC=C1 m-Cresol 108-39-4|m-Cresol|1-Hydroxy-3-methylbenzene|1-Methyl-3-hydroxybenzene|203-577-9|3-Hydroxytoluene|3-Methylphenol|3-phenylphenol|Caswell No. 261A|CRESOL, M-|EC No.: 203-577-9|EINECS 203-577-9|EPA Pesticide Chemical Code 022102|FEMA No. 3530|Franklin Cresolis|m-Cresylic acid|m-Hydroxytoluene|m-Kresol|m-Methylphenol|m-Oxytoluene|m-Toluol|meta-Cresol|metacresol|NSC 8768|Phenol, 3-methyl-|Rover's Dog Shampoo|UNII-GGO4Y809LO https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024200 https://doi.org/10.22427/NTP-DATA-DTXSID6024200
ARPathway2016 ARPathway2016_508 m-Cresol 108-39-4 DTXSID6024200 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(O)=CC=C1 m-Cresol 108-39-4|m-Cresol|1-Hydroxy-3-methylbenzene|1-Methyl-3-hydroxybenzene|203-577-9|3-Hydroxytoluene|3-Methylphenol|3-phenylphenol|Caswell No. 261A|CRESOL, M-|EC No.: 203-577-9|EINECS 203-577-9|EPA Pesticide Chemical Code 022102|FEMA No. 3530|Franklin Cresolis|m-Cresylic acid|m-Hydroxytoluene|m-Kresol|m-Methylphenol|m-Oxytoluene|m-Toluol|meta-Cresol|metacresol|NSC 8768|Phenol, 3-methyl-|Rover's Dog Shampoo|UNII-GGO4Y809LO https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024200 https://doi.org/10.22427/NTP-DATA-DTXSID6024200
ARPathway2016 ARPathway2016_508 m-Cresol 108-39-4 DTXSID6024200 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(O)=CC=C1 m-Cresol 108-39-4|m-Cresol|1-Hydroxy-3-methylbenzene|1-Methyl-3-hydroxybenzene|203-577-9|3-Hydroxytoluene|3-Methylphenol|3-phenylphenol|Caswell No. 261A|CRESOL, M-|EC No.: 203-577-9|EINECS 203-577-9|EPA Pesticide Chemical Code 022102|FEMA No. 3530|Franklin Cresolis|m-Cresylic acid|m-Hydroxytoluene|m-Kresol|m-Methylphenol|m-Oxytoluene|m-Toluol|meta-Cresol|metacresol|NSC 8768|Phenol, 3-methyl-|Rover's Dog Shampoo|UNII-GGO4Y809LO https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024200 https://doi.org/10.22427/NTP-DATA-DTXSID6024200
ARPathway2016 ARPathway2016_508 m-Cresol 108-39-4 DTXSID6024200 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(O)=CC=C1 m-Cresol 108-39-4|m-Cresol|1-Hydroxy-3-methylbenzene|1-Methyl-3-hydroxybenzene|203-577-9|3-Hydroxytoluene|3-Methylphenol|3-phenylphenol|Caswell No. 261A|CRESOL, M-|EC No.: 203-577-9|EINECS 203-577-9|EPA Pesticide Chemical Code 022102|FEMA No. 3530|Franklin Cresolis|m-Cresylic acid|m-Hydroxytoluene|m-Kresol|m-Methylphenol|m-Oxytoluene|m-Toluol|meta-Cresol|metacresol|NSC 8768|Phenol, 3-methyl-|Rover's Dog Shampoo|UNII-GGO4Y809LO https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024200 https://doi.org/10.22427/NTP-DATA-DTXSID6024200
ERPathway2016 ERPathway2016_1110 m-Cresol 108-39-4 DTXSID6024200 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(O)=CC=C1 m-Cresol 108-39-4|m-Cresol|1-Hydroxy-3-methylbenzene|1-Methyl-3-hydroxybenzene|203-577-9|3-Hydroxytoluene|3-Methylphenol|3-phenylphenol|Caswell No. 261A|CRESOL, M-|EC No.: 203-577-9|EINECS 203-577-9|EPA Pesticide Chemical Code 022102|FEMA No. 3530|Franklin Cresolis|m-Cresylic acid|m-Hydroxytoluene|m-Kresol|m-Methylphenol|m-Oxytoluene|m-Toluol|meta-Cresol|metacresol|NSC 8768|Phenol, 3-methyl-|Rover's Dog Shampoo|UNII-GGO4Y809LO https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024200 https://doi.org/10.22427/NTP-DATA-DTXSID6024200
ERPathway2016 ERPathway2016_1110 m-Cresol 108-39-4 DTXSID6024200 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(O)=CC=C1 m-Cresol 108-39-4|m-Cresol|1-Hydroxy-3-methylbenzene|1-Methyl-3-hydroxybenzene|203-577-9|3-Hydroxytoluene|3-Methylphenol|3-phenylphenol|Caswell No. 261A|CRESOL, M-|EC No.: 203-577-9|EINECS 203-577-9|EPA Pesticide Chemical Code 022102|FEMA No. 3530|Franklin Cresolis|m-Cresylic acid|m-Hydroxytoluene|m-Kresol|m-Methylphenol|m-Oxytoluene|m-Toluol|meta-Cresol|metacresol|NSC 8768|Phenol, 3-methyl-|Rover's Dog Shampoo|UNII-GGO4Y809LO https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024200 https://doi.org/10.22427/NTP-DATA-DTXSID6024200
ERPathway2016 ERPathway2016_1110 m-Cresol 108-39-4 DTXSID6024200 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(O)=CC=C1 m-Cresol 108-39-4|m-Cresol|1-Hydroxy-3-methylbenzene|1-Methyl-3-hydroxybenzene|203-577-9|3-Hydroxytoluene|3-Methylphenol|3-phenylphenol|Caswell No. 261A|CRESOL, M-|EC No.: 203-577-9|EINECS 203-577-9|EPA Pesticide Chemical Code 022102|FEMA No. 3530|Franklin Cresolis|m-Cresylic acid|m-Hydroxytoluene|m-Kresol|m-Methylphenol|m-Oxytoluene|m-Toluol|meta-Cresol|metacresol|NSC 8768|Phenol, 3-methyl-|Rover's Dog Shampoo|UNII-GGO4Y809LO https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024200 https://doi.org/10.22427/NTP-DATA-DTXSID6024200
ERPathway2016 ERPathway2016_1110 m-Cresol 108-39-4 DTXSID6024200 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(O)=CC=C1 m-Cresol 108-39-4|m-Cresol|1-Hydroxy-3-methylbenzene|1-Methyl-3-hydroxybenzene|203-577-9|3-Hydroxytoluene|3-Methylphenol|3-phenylphenol|Caswell No. 261A|CRESOL, M-|EC No.: 203-577-9|EINECS 203-577-9|EPA Pesticide Chemical Code 022102|FEMA No. 3530|Franklin Cresolis|m-Cresylic acid|m-Hydroxytoluene|m-Kresol|m-Methylphenol|m-Oxytoluene|m-Toluol|meta-Cresol|metacresol|NSC 8768|Phenol, 3-methyl-|Rover's Dog Shampoo|UNII-GGO4Y809LO https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024200 https://doi.org/10.22427/NTP-DATA-DTXSID6024200
ARPathway2016 ARPathway2016_1520 Melatonin 73-31-4 DTXSID1022421 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC2=C(NC=C2CCNC(C)=O)C=C1 Melatonin 73-31-4|Melatonin|{N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-} Acetamide|{N-[2-(5-methoxyindol-3-yl)ethyl]-} Acetamide|3-(2-Acetamidoethyl)-5-methoxyindole|5-22-12-00042|5-Methoxy-N-acetyltryptamine|Acetamide, N-(2-(5-methoxyindol-3-yl)ethyl)-|Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-|BRN 0205542|Circadin|EINECS 200-797-7|Melatol|Melatonin (synth.) standard-grade|Melatonin (synth.) ultra-pure|Melatonine|Melovine|MT6|N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide|N-(2-(5-Methoxyindol-3-yl)ethyl)-Acetamide|N-(2-(5-Methoxyindol-3-yl)ethyl)acetamid|N-(2-(5-methoxyindol-3-yl)ethyl)acetamide|N-(2-(5-methoxyindole-3-yl)ethyl)acetamide|N-(2-(5-metoxiindol-3-il)etil)acetamida|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-Acetamide|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide|N-[2-(5-Methoxyindol-3-yl)ethyl]-Acetamide|N-[2-(5-Methoxyindol-3-yl)ethyl]acetamide|N-Acetyl-5-methoxy-tryptamine|N-Acetyl-5-methoxy-tryptamine Melatonine|N-Acetyl-5-methoxytryptamine|NSC 113928|NSC 56423|Regulin|TRYPTAMINE, |1581233-31-9|942407-96-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022421 https://doi.org/10.22427/NTP-DATA-DTXSID1022421
ARPathway2016 ARPathway2016_1520 Melatonin 73-31-4 DTXSID1022421 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC2=C(NC=C2CCNC(C)=O)C=C1 Melatonin 73-31-4|Melatonin|{N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-} Acetamide|{N-[2-(5-methoxyindol-3-yl)ethyl]-} Acetamide|3-(2-Acetamidoethyl)-5-methoxyindole|5-22-12-00042|5-Methoxy-N-acetyltryptamine|Acetamide, N-(2-(5-methoxyindol-3-yl)ethyl)-|Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-|BRN 0205542|Circadin|EINECS 200-797-7|Melatol|Melatonin (synth.) standard-grade|Melatonin (synth.) ultra-pure|Melatonine|Melovine|MT6|N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide|N-(2-(5-Methoxyindol-3-yl)ethyl)-Acetamide|N-(2-(5-Methoxyindol-3-yl)ethyl)acetamid|N-(2-(5-methoxyindol-3-yl)ethyl)acetamide|N-(2-(5-methoxyindole-3-yl)ethyl)acetamide|N-(2-(5-metoxiindol-3-il)etil)acetamida|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-Acetamide|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide|N-[2-(5-Methoxyindol-3-yl)ethyl]-Acetamide|N-[2-(5-Methoxyindol-3-yl)ethyl]acetamide|N-Acetyl-5-methoxy-tryptamine|N-Acetyl-5-methoxy-tryptamine Melatonine|N-Acetyl-5-methoxytryptamine|NSC 113928|NSC 56423|Regulin|TRYPTAMINE, |1581233-31-9|942407-96-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022421 https://doi.org/10.22427/NTP-DATA-DTXSID1022421
ARPathway2016 ARPathway2016_1520 Melatonin 73-31-4 DTXSID1022421 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC2=C(NC=C2CCNC(C)=O)C=C1 Melatonin 73-31-4|Melatonin|{N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-} Acetamide|{N-[2-(5-methoxyindol-3-yl)ethyl]-} Acetamide|3-(2-Acetamidoethyl)-5-methoxyindole|5-22-12-00042|5-Methoxy-N-acetyltryptamine|Acetamide, N-(2-(5-methoxyindol-3-yl)ethyl)-|Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-|BRN 0205542|Circadin|EINECS 200-797-7|Melatol|Melatonin (synth.) standard-grade|Melatonin (synth.) ultra-pure|Melatonine|Melovine|MT6|N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide|N-(2-(5-Methoxyindol-3-yl)ethyl)-Acetamide|N-(2-(5-Methoxyindol-3-yl)ethyl)acetamid|N-(2-(5-methoxyindol-3-yl)ethyl)acetamide|N-(2-(5-methoxyindole-3-yl)ethyl)acetamide|N-(2-(5-metoxiindol-3-il)etil)acetamida|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-Acetamide|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide|N-[2-(5-Methoxyindol-3-yl)ethyl]-Acetamide|N-[2-(5-Methoxyindol-3-yl)ethyl]acetamide|N-Acetyl-5-methoxy-tryptamine|N-Acetyl-5-methoxy-tryptamine Melatonine|N-Acetyl-5-methoxytryptamine|NSC 113928|NSC 56423|Regulin|TRYPTAMINE, |1581233-31-9|942407-96-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022421 https://doi.org/10.22427/NTP-DATA-DTXSID1022421
ARPathway2016 ARPathway2016_1520 Melatonin 73-31-4 DTXSID1022421 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC2=C(NC=C2CCNC(C)=O)C=C1 Melatonin 73-31-4|Melatonin|{N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-} Acetamide|{N-[2-(5-methoxyindol-3-yl)ethyl]-} Acetamide|3-(2-Acetamidoethyl)-5-methoxyindole|5-22-12-00042|5-Methoxy-N-acetyltryptamine|Acetamide, N-(2-(5-methoxyindol-3-yl)ethyl)-|Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-|BRN 0205542|Circadin|EINECS 200-797-7|Melatol|Melatonin (synth.) standard-grade|Melatonin (synth.) ultra-pure|Melatonine|Melovine|MT6|N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide|N-(2-(5-Methoxyindol-3-yl)ethyl)-Acetamide|N-(2-(5-Methoxyindol-3-yl)ethyl)acetamid|N-(2-(5-methoxyindol-3-yl)ethyl)acetamide|N-(2-(5-methoxyindole-3-yl)ethyl)acetamide|N-(2-(5-metoxiindol-3-il)etil)acetamida|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-Acetamide|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide|N-[2-(5-Methoxyindol-3-yl)ethyl]-Acetamide|N-[2-(5-Methoxyindol-3-yl)ethyl]acetamide|N-Acetyl-5-methoxy-tryptamine|N-Acetyl-5-methoxy-tryptamine Melatonine|N-Acetyl-5-methoxytryptamine|NSC 113928|NSC 56423|Regulin|TRYPTAMINE, |1581233-31-9|942407-96-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022421 https://doi.org/10.22427/NTP-DATA-DTXSID1022421
ERPathway2016 ERPathway2016_1630 Melatonin 73-31-4 DTXSID1022421 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC2=C(NC=C2CCNC(C)=O)C=C1 Melatonin 73-31-4|Melatonin|{N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-} Acetamide|{N-[2-(5-methoxyindol-3-yl)ethyl]-} Acetamide|3-(2-Acetamidoethyl)-5-methoxyindole|5-22-12-00042|5-Methoxy-N-acetyltryptamine|Acetamide, N-(2-(5-methoxyindol-3-yl)ethyl)-|Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-|BRN 0205542|Circadin|EINECS 200-797-7|Melatol|Melatonin (synth.) standard-grade|Melatonin (synth.) ultra-pure|Melatonine|Melovine|MT6|N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide|N-(2-(5-Methoxyindol-3-yl)ethyl)-Acetamide|N-(2-(5-Methoxyindol-3-yl)ethyl)acetamid|N-(2-(5-methoxyindol-3-yl)ethyl)acetamide|N-(2-(5-methoxyindole-3-yl)ethyl)acetamide|N-(2-(5-metoxiindol-3-il)etil)acetamida|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-Acetamide|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide|N-[2-(5-Methoxyindol-3-yl)ethyl]-Acetamide|N-[2-(5-Methoxyindol-3-yl)ethyl]acetamide|N-Acetyl-5-methoxy-tryptamine|N-Acetyl-5-methoxy-tryptamine Melatonine|N-Acetyl-5-methoxytryptamine|NSC 113928|NSC 56423|Regulin|TRYPTAMINE, |1581233-31-9|942407-96-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022421 https://doi.org/10.22427/NTP-DATA-DTXSID1022421
ERPathway2016 ERPathway2016_1630 Melatonin 73-31-4 DTXSID1022421 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC2=C(NC=C2CCNC(C)=O)C=C1 Melatonin 73-31-4|Melatonin|{N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-} Acetamide|{N-[2-(5-methoxyindol-3-yl)ethyl]-} Acetamide|3-(2-Acetamidoethyl)-5-methoxyindole|5-22-12-00042|5-Methoxy-N-acetyltryptamine|Acetamide, N-(2-(5-methoxyindol-3-yl)ethyl)-|Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-|BRN 0205542|Circadin|EINECS 200-797-7|Melatol|Melatonin (synth.) standard-grade|Melatonin (synth.) ultra-pure|Melatonine|Melovine|MT6|N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide|N-(2-(5-Methoxyindol-3-yl)ethyl)-Acetamide|N-(2-(5-Methoxyindol-3-yl)ethyl)acetamid|N-(2-(5-methoxyindol-3-yl)ethyl)acetamide|N-(2-(5-methoxyindole-3-yl)ethyl)acetamide|N-(2-(5-metoxiindol-3-il)etil)acetamida|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-Acetamide|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide|N-[2-(5-Methoxyindol-3-yl)ethyl]-Acetamide|N-[2-(5-Methoxyindol-3-yl)ethyl]acetamide|N-Acetyl-5-methoxy-tryptamine|N-Acetyl-5-methoxy-tryptamine Melatonine|N-Acetyl-5-methoxytryptamine|NSC 113928|NSC 56423|Regulin|TRYPTAMINE, |1581233-31-9|942407-96-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022421 https://doi.org/10.22427/NTP-DATA-DTXSID1022421
ERPathway2016 ERPathway2016_1630 Melatonin 73-31-4 DTXSID1022421 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC2=C(NC=C2CCNC(C)=O)C=C1 Melatonin 73-31-4|Melatonin|{N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-} Acetamide|{N-[2-(5-methoxyindol-3-yl)ethyl]-} Acetamide|3-(2-Acetamidoethyl)-5-methoxyindole|5-22-12-00042|5-Methoxy-N-acetyltryptamine|Acetamide, N-(2-(5-methoxyindol-3-yl)ethyl)-|Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-|BRN 0205542|Circadin|EINECS 200-797-7|Melatol|Melatonin (synth.) standard-grade|Melatonin (synth.) ultra-pure|Melatonine|Melovine|MT6|N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide|N-(2-(5-Methoxyindol-3-yl)ethyl)-Acetamide|N-(2-(5-Methoxyindol-3-yl)ethyl)acetamid|N-(2-(5-methoxyindol-3-yl)ethyl)acetamide|N-(2-(5-methoxyindole-3-yl)ethyl)acetamide|N-(2-(5-metoxiindol-3-il)etil)acetamida|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-Acetamide|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide|N-[2-(5-Methoxyindol-3-yl)ethyl]-Acetamide|N-[2-(5-Methoxyindol-3-yl)ethyl]acetamide|N-Acetyl-5-methoxy-tryptamine|N-Acetyl-5-methoxy-tryptamine Melatonine|N-Acetyl-5-methoxytryptamine|NSC 113928|NSC 56423|Regulin|TRYPTAMINE, |1581233-31-9|942407-96-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022421 https://doi.org/10.22427/NTP-DATA-DTXSID1022421
ERPathway2016 ERPathway2016_1630 Melatonin 73-31-4 DTXSID1022421 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC2=C(NC=C2CCNC(C)=O)C=C1 Melatonin 73-31-4|Melatonin|{N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-} Acetamide|{N-[2-(5-methoxyindol-3-yl)ethyl]-} Acetamide|3-(2-Acetamidoethyl)-5-methoxyindole|5-22-12-00042|5-Methoxy-N-acetyltryptamine|Acetamide, N-(2-(5-methoxyindol-3-yl)ethyl)-|Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-|BRN 0205542|Circadin|EINECS 200-797-7|Melatol|Melatonin (synth.) standard-grade|Melatonin (synth.) ultra-pure|Melatonine|Melovine|MT6|N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide|N-(2-(5-Methoxyindol-3-yl)ethyl)-Acetamide|N-(2-(5-Methoxyindol-3-yl)ethyl)acetamid|N-(2-(5-methoxyindol-3-yl)ethyl)acetamide|N-(2-(5-methoxyindole-3-yl)ethyl)acetamide|N-(2-(5-metoxiindol-3-il)etil)acetamida|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-Acetamide|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide|N-[2-(5-Methoxyindol-3-yl)ethyl]-Acetamide|N-[2-(5-Methoxyindol-3-yl)ethyl]acetamide|N-Acetyl-5-methoxy-tryptamine|N-Acetyl-5-methoxy-tryptamine Melatonine|N-Acetyl-5-methoxytryptamine|NSC 113928|NSC 56423|Regulin|TRYPTAMINE, |1581233-31-9|942407-96-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022421 https://doi.org/10.22427/NTP-DATA-DTXSID1022421
ARPathway2016 ARPathway2016_361 Melengestrol acetate 2919-66-6 DTXSID5048184 3.0 Agonist AR Pathway Model, Antagonist ACC 0.328158639 uM CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C Melengestrol acetate 2919-66-6|Melengestrol acetate|17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate|17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione|6-Dehydro-16-methylene-6-methyl-17-acetoxyprogesterone|EINECS 220-859-7|NSC 70968|UNII-4W5HDS3936 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048184
ARPathway2016 ARPathway2016_361 Melengestrol acetate 2919-66-6 DTXSID5048184 3.0 Agonist AR Pathway Model, Antagonist AC50 0.561004881 uM CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C Melengestrol acetate 2919-66-6|Melengestrol acetate|17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate|17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione|6-Dehydro-16-methylene-6-methyl-17-acetoxyprogesterone|EINECS 220-859-7|NSC 70968|UNII-4W5HDS3936 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048184
ARPathway2016 ARPathway2016_361 Melengestrol acetate 2919-66-6 DTXSID5048184 3.0 Agonist AR Pathway Model, Antagonist Model Score 0.173 Unitless CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C Melengestrol acetate 2919-66-6|Melengestrol acetate|17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate|17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione|6-Dehydro-16-methylene-6-methyl-17-acetoxyprogesterone|EINECS 220-859-7|NSC 70968|UNII-4W5HDS3936 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048184
ARPathway2016 ARPathway2016_361 Melengestrol acetate 2919-66-6 DTXSID5048184 3.0 Agonist AR Pathway Model, Agonist Model Score 0.445 Unitless CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C Melengestrol acetate 2919-66-6|Melengestrol acetate|17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate|17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione|6-Dehydro-16-methylene-6-methyl-17-acetoxyprogesterone|EINECS 220-859-7|NSC 70968|UNII-4W5HDS3936 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048184
ARPathway2016 ARPathway2016_361 Melengestrol acetate 2919-66-6 DTXSID5048184 3.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C Melengestrol acetate 2919-66-6|Melengestrol acetate|17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate|17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione|6-Dehydro-16-methylene-6-methyl-17-acetoxyprogesterone|EINECS 220-859-7|NSC 70968|UNII-4W5HDS3936 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048184
ARPathway2016 ARPathway2016_361 Melengestrol acetate 2919-66-6 DTXSID5048184 3.0 Agonist AR Pathway Model, Antagonist Call Active Unitless CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C Melengestrol acetate 2919-66-6|Melengestrol acetate|17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate|17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione|6-Dehydro-16-methylene-6-methyl-17-acetoxyprogesterone|EINECS 220-859-7|NSC 70968|UNII-4W5HDS3936 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048184
ERPathway2016 ERPathway2016_212 Melengestrol acetate 2919-66-6 DTXSID5048184 Agonist ER Pathway Model, Antagonist AC50 0.0268075701117463 uM CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C Melengestrol acetate 2919-66-6|Melengestrol acetate|17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate|17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione|6-Dehydro-16-methylene-6-methyl-17-acetoxyprogesterone|EINECS 220-859-7|NSC 70968|UNII-4W5HDS3936 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048184
ERPathway2016 ERPathway2016_212 Melengestrol acetate 2919-66-6 DTXSID5048184 Agonist ER Pathway Model, Antagonist ACC 0.0113038266635086 uM CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C Melengestrol acetate 2919-66-6|Melengestrol acetate|17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate|17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione|6-Dehydro-16-methylene-6-methyl-17-acetoxyprogesterone|EINECS 220-859-7|NSC 70968|UNII-4W5HDS3936 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048184
ERPathway2016 ERPathway2016_212 Melengestrol acetate 2919-66-6 DTXSID5048184 Agonist ER Pathway Model, Agonist Model Score 0.155 Unitless CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C Melengestrol acetate 2919-66-6|Melengestrol acetate|17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate|17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione|6-Dehydro-16-methylene-6-methyl-17-acetoxyprogesterone|EINECS 220-859-7|NSC 70968|UNII-4W5HDS3936 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048184
ERPathway2016 ERPathway2016_212 Melengestrol acetate 2919-66-6 DTXSID5048184 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C Melengestrol acetate 2919-66-6|Melengestrol acetate|17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate|17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione|6-Dehydro-16-methylene-6-methyl-17-acetoxyprogesterone|EINECS 220-859-7|NSC 70968|UNII-4W5HDS3936 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048184
ERPathway2016 ERPathway2016_212 Melengestrol acetate 2919-66-6 DTXSID5048184 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C Melengestrol acetate 2919-66-6|Melengestrol acetate|17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate|17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione|6-Dehydro-16-methylene-6-methyl-17-acetoxyprogesterone|EINECS 220-859-7|NSC 70968|UNII-4W5HDS3936 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048184
ERPathway2016 ERPathway2016_212 Melengestrol acetate 2919-66-6 DTXSID5048184 Agonist ER Pathway Model, Antagonist Call Active Unitless CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C Melengestrol acetate 2919-66-6|Melengestrol acetate|17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate|17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione|6-Dehydro-16-methylene-6-methyl-17-acetoxyprogesterone|EINECS 220-859-7|NSC 70968|UNII-4W5HDS3936 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048184
ARPathway2016 ARPathway2016_872 Menthol 1490-04-6 DTXSID8029650 1.0 A9 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1CCC(C)CC1O Menthol 1490-04-6|Menthol|1-Methyl-4-isopropyl-3-cyclohexanol|1-Methyl-4-isopropyl-3-hydroxycyclohexane|2-Isopropyl-5-methylcyclohexan-1-ol|2-Isopropyl-5-methylcyclohexanol|3-Hydroxy-p-menthane|3-p-Menthanol|3-p-Menthol|4-Isopropyl-1-methylcyclohexan-3-ol|5-Methyl-2-(1-methylethyl)-Cyclohexanol|5-Methyl-2-(1-methylethyl)cyclohexanol|5-Methyl-2-(propan-2-yl)cyclohexan-1-ol|5-Methyl-2-isopropylcyclohexanol|Caswell No. 540|Cyclohexanol, 5-methyl-2-(1-methylethyl)-|CYCLOHEXANOL, 5-METHYL-2-ISOPROPYL-|DL-Menthol|DL-mentol|EINECS 216-074-4|EPA Pesticide Chemical Code 051601|menthols|Mentholum|Menthyl alcohol|Mineral ice|p-Menthan-3-ol|UNII-L7T10EIP3A https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029650
ARPathway2016 ARPathway2016_872 Menthol 1490-04-6 DTXSID8029650 1.0 A9 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1CCC(C)CC1O Menthol 1490-04-6|Menthol|1-Methyl-4-isopropyl-3-cyclohexanol|1-Methyl-4-isopropyl-3-hydroxycyclohexane|2-Isopropyl-5-methylcyclohexan-1-ol|2-Isopropyl-5-methylcyclohexanol|3-Hydroxy-p-menthane|3-p-Menthanol|3-p-Menthol|4-Isopropyl-1-methylcyclohexan-3-ol|5-Methyl-2-(1-methylethyl)-Cyclohexanol|5-Methyl-2-(1-methylethyl)cyclohexanol|5-Methyl-2-(propan-2-yl)cyclohexan-1-ol|5-Methyl-2-isopropylcyclohexanol|Caswell No. 540|Cyclohexanol, 5-methyl-2-(1-methylethyl)-|CYCLOHEXANOL, 5-METHYL-2-ISOPROPYL-|DL-Menthol|DL-mentol|EINECS 216-074-4|EPA Pesticide Chemical Code 051601|menthols|Mentholum|Menthyl alcohol|Mineral ice|p-Menthan-3-ol|UNII-L7T10EIP3A https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029650
ARPathway2016 ARPathway2016_872 Menthol 1490-04-6 DTXSID8029650 1.0 A9 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C1CCC(C)CC1O Menthol 1490-04-6|Menthol|1-Methyl-4-isopropyl-3-cyclohexanol|1-Methyl-4-isopropyl-3-hydroxycyclohexane|2-Isopropyl-5-methylcyclohexan-1-ol|2-Isopropyl-5-methylcyclohexanol|3-Hydroxy-p-menthane|3-p-Menthanol|3-p-Menthol|4-Isopropyl-1-methylcyclohexan-3-ol|5-Methyl-2-(1-methylethyl)-Cyclohexanol|5-Methyl-2-(1-methylethyl)cyclohexanol|5-Methyl-2-(propan-2-yl)cyclohexan-1-ol|5-Methyl-2-isopropylcyclohexanol|Caswell No. 540|Cyclohexanol, 5-methyl-2-(1-methylethyl)-|CYCLOHEXANOL, 5-METHYL-2-ISOPROPYL-|DL-Menthol|DL-mentol|EINECS 216-074-4|EPA Pesticide Chemical Code 051601|menthols|Mentholum|Menthyl alcohol|Mineral ice|p-Menthan-3-ol|UNII-L7T10EIP3A https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029650
ARPathway2016 ARPathway2016_872 Menthol 1490-04-6 DTXSID8029650 1.0 A9 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1CCC(C)CC1O Menthol 1490-04-6|Menthol|1-Methyl-4-isopropyl-3-cyclohexanol|1-Methyl-4-isopropyl-3-hydroxycyclohexane|2-Isopropyl-5-methylcyclohexan-1-ol|2-Isopropyl-5-methylcyclohexanol|3-Hydroxy-p-menthane|3-p-Menthanol|3-p-Menthol|4-Isopropyl-1-methylcyclohexan-3-ol|5-Methyl-2-(1-methylethyl)-Cyclohexanol|5-Methyl-2-(1-methylethyl)cyclohexanol|5-Methyl-2-(propan-2-yl)cyclohexan-1-ol|5-Methyl-2-isopropylcyclohexanol|Caswell No. 540|Cyclohexanol, 5-methyl-2-(1-methylethyl)-|CYCLOHEXANOL, 5-METHYL-2-ISOPROPYL-|DL-Menthol|DL-mentol|EINECS 216-074-4|EPA Pesticide Chemical Code 051601|menthols|Mentholum|Menthyl alcohol|Mineral ice|p-Menthan-3-ol|UNII-L7T10EIP3A https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029650
ERPathway2016 ERPathway2016_1314 Menthol 1490-04-6 DTXSID8029650 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)C1CCC(C)CC1O Menthol 1490-04-6|Menthol|1-Methyl-4-isopropyl-3-cyclohexanol|1-Methyl-4-isopropyl-3-hydroxycyclohexane|2-Isopropyl-5-methylcyclohexan-1-ol|2-Isopropyl-5-methylcyclohexanol|3-Hydroxy-p-menthane|3-p-Menthanol|3-p-Menthol|4-Isopropyl-1-methylcyclohexan-3-ol|5-Methyl-2-(1-methylethyl)-Cyclohexanol|5-Methyl-2-(1-methylethyl)cyclohexanol|5-Methyl-2-(propan-2-yl)cyclohexan-1-ol|5-Methyl-2-isopropylcyclohexanol|Caswell No. 540|Cyclohexanol, 5-methyl-2-(1-methylethyl)-|CYCLOHEXANOL, 5-METHYL-2-ISOPROPYL-|DL-Menthol|DL-mentol|EINECS 216-074-4|EPA Pesticide Chemical Code 051601|menthols|Mentholum|Menthyl alcohol|Mineral ice|p-Menthan-3-ol|UNII-L7T10EIP3A https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029650
ERPathway2016 ERPathway2016_1314 Menthol 1490-04-6 DTXSID8029650 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1CCC(C)CC1O Menthol 1490-04-6|Menthol|1-Methyl-4-isopropyl-3-cyclohexanol|1-Methyl-4-isopropyl-3-hydroxycyclohexane|2-Isopropyl-5-methylcyclohexan-1-ol|2-Isopropyl-5-methylcyclohexanol|3-Hydroxy-p-menthane|3-p-Menthanol|3-p-Menthol|4-Isopropyl-1-methylcyclohexan-3-ol|5-Methyl-2-(1-methylethyl)-Cyclohexanol|5-Methyl-2-(1-methylethyl)cyclohexanol|5-Methyl-2-(propan-2-yl)cyclohexan-1-ol|5-Methyl-2-isopropylcyclohexanol|Caswell No. 540|Cyclohexanol, 5-methyl-2-(1-methylethyl)-|CYCLOHEXANOL, 5-METHYL-2-ISOPROPYL-|DL-Menthol|DL-mentol|EINECS 216-074-4|EPA Pesticide Chemical Code 051601|menthols|Mentholum|Menthyl alcohol|Mineral ice|p-Menthan-3-ol|UNII-L7T10EIP3A https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029650
ERPathway2016 ERPathway2016_1314 Menthol 1490-04-6 DTXSID8029650 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C1CCC(C)CC1O Menthol 1490-04-6|Menthol|1-Methyl-4-isopropyl-3-cyclohexanol|1-Methyl-4-isopropyl-3-hydroxycyclohexane|2-Isopropyl-5-methylcyclohexan-1-ol|2-Isopropyl-5-methylcyclohexanol|3-Hydroxy-p-menthane|3-p-Menthanol|3-p-Menthol|4-Isopropyl-1-methylcyclohexan-3-ol|5-Methyl-2-(1-methylethyl)-Cyclohexanol|5-Methyl-2-(1-methylethyl)cyclohexanol|5-Methyl-2-(propan-2-yl)cyclohexan-1-ol|5-Methyl-2-isopropylcyclohexanol|Caswell No. 540|Cyclohexanol, 5-methyl-2-(1-methylethyl)-|CYCLOHEXANOL, 5-METHYL-2-ISOPROPYL-|DL-Menthol|DL-mentol|EINECS 216-074-4|EPA Pesticide Chemical Code 051601|menthols|Mentholum|Menthyl alcohol|Mineral ice|p-Menthan-3-ol|UNII-L7T10EIP3A https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029650
ERPathway2016 ERPathway2016_1314 Menthol 1490-04-6 DTXSID8029650 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)C1CCC(C)CC1O Menthol 1490-04-6|Menthol|1-Methyl-4-isopropyl-3-cyclohexanol|1-Methyl-4-isopropyl-3-hydroxycyclohexane|2-Isopropyl-5-methylcyclohexan-1-ol|2-Isopropyl-5-methylcyclohexanol|3-Hydroxy-p-menthane|3-p-Menthanol|3-p-Menthol|4-Isopropyl-1-methylcyclohexan-3-ol|5-Methyl-2-(1-methylethyl)-Cyclohexanol|5-Methyl-2-(1-methylethyl)cyclohexanol|5-Methyl-2-(propan-2-yl)cyclohexan-1-ol|5-Methyl-2-isopropylcyclohexanol|Caswell No. 540|Cyclohexanol, 5-methyl-2-(1-methylethyl)-|CYCLOHEXANOL, 5-METHYL-2-ISOPROPYL-|DL-Menthol|DL-mentol|EINECS 216-074-4|EPA Pesticide Chemical Code 051601|menthols|Mentholum|Menthyl alcohol|Mineral ice|p-Menthan-3-ol|UNII-L7T10EIP3A https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029650
ARPathway2016 ARPathway2016_539 Mepanipyrim 110235-47-7 DTXSID4042121 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CC#CC1=CC(C)=NC(NC2=CC=CC=C2)=N1 Mepanipyrim 110235-47-7|Mepanipyrim|4-methyl-N-phenyl-6-(1-propynyl)-2-pyrimidinamine|N-(4-Methyl-6-prop-1-ynylpyrimidin-2-yl)aniline|UNII-B150X76OJY https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042121
ARPathway2016 ARPathway2016_539 Mepanipyrim 110235-47-7 DTXSID4042121 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CC#CC1=CC(C)=NC(NC2=CC=CC=C2)=N1 Mepanipyrim 110235-47-7|Mepanipyrim|4-methyl-N-phenyl-6-(1-propynyl)-2-pyrimidinamine|N-(4-Methyl-6-prop-1-ynylpyrimidin-2-yl)aniline|UNII-B150X76OJY https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042121
ARPathway2016 ARPathway2016_539 Mepanipyrim 110235-47-7 DTXSID4042121 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CC#CC1=CC(C)=NC(NC2=CC=CC=C2)=N1 Mepanipyrim 110235-47-7|Mepanipyrim|4-methyl-N-phenyl-6-(1-propynyl)-2-pyrimidinamine|N-(4-Methyl-6-prop-1-ynylpyrimidin-2-yl)aniline|UNII-B150X76OJY https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042121
ARPathway2016 ARPathway2016_539 Mepanipyrim 110235-47-7 DTXSID4042121 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CC#CC1=CC(C)=NC(NC2=CC=CC=C2)=N1 Mepanipyrim 110235-47-7|Mepanipyrim|4-methyl-N-phenyl-6-(1-propynyl)-2-pyrimidinamine|N-(4-Methyl-6-prop-1-ynylpyrimidin-2-yl)aniline|UNII-B150X76OJY https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042121
ERPathway2016 ERPathway2016_519 Mepanipyrim 110235-47-7 DTXSID4042121 A15 ER Pathway Model, Agonist Model Score 0 Unitless CC#CC1=CC(C)=NC(NC2=CC=CC=C2)=N1 Mepanipyrim 110235-47-7|Mepanipyrim|4-methyl-N-phenyl-6-(1-propynyl)-2-pyrimidinamine|N-(4-Methyl-6-prop-1-ynylpyrimidin-2-yl)aniline|UNII-B150X76OJY https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042121
ERPathway2016 ERPathway2016_519 Mepanipyrim 110235-47-7 DTXSID4042121 A15 ER Pathway Model, Antagonist Model Score 0 Unitless CC#CC1=CC(C)=NC(NC2=CC=CC=C2)=N1 Mepanipyrim 110235-47-7|Mepanipyrim|4-methyl-N-phenyl-6-(1-propynyl)-2-pyrimidinamine|N-(4-Methyl-6-prop-1-ynylpyrimidin-2-yl)aniline|UNII-B150X76OJY https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042121
ERPathway2016 ERPathway2016_519 Mepanipyrim 110235-47-7 DTXSID4042121 A15 ER Pathway Model, Agonist Call Inactive Unitless CC#CC1=CC(C)=NC(NC2=CC=CC=C2)=N1 Mepanipyrim 110235-47-7|Mepanipyrim|4-methyl-N-phenyl-6-(1-propynyl)-2-pyrimidinamine|N-(4-Methyl-6-prop-1-ynylpyrimidin-2-yl)aniline|UNII-B150X76OJY https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042121
ERPathway2016 ERPathway2016_519 Mepanipyrim 110235-47-7 DTXSID4042121 A15 ER Pathway Model, Antagonist Call Inactive Unitless CC#CC1=CC(C)=NC(NC2=CC=CC=C2)=N1 Mepanipyrim 110235-47-7|Mepanipyrim|4-methyl-N-phenyl-6-(1-propynyl)-2-pyrimidinamine|N-(4-Methyl-6-prop-1-ynylpyrimidin-2-yl)aniline|UNII-B150X76OJY https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042121
ARPathway2016 ARPathway2016_1327 Mepronil 55814-41-0 DTXSID1037565 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)OC1=CC=CC(NC(=O)C2=C(C)C=CC=C2)=C1 Mepronil 55814-41-0|Mepronil|2-Methyl-3'-isopropoxybenzanilide|2-Methyl-N-(3-(1-methylethoxy)phenyl)benzamide|2-methyl-N-[3-(propan-2-yloxy)phenyl]benzamide|3'-Isopropoxy-2-methylbenzanilide|3'-isopropoxy-2-methylbenzoic acid anilide|3'-Isopropoxy-o-toluanilide|B1-2459|Basitac|BRN 2381749|UNII-QJK1MXY8DW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1037565
ARPathway2016 ARPathway2016_1327 Mepronil 55814-41-0 DTXSID1037565 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)OC1=CC=CC(NC(=O)C2=C(C)C=CC=C2)=C1 Mepronil 55814-41-0|Mepronil|2-Methyl-3'-isopropoxybenzanilide|2-Methyl-N-(3-(1-methylethoxy)phenyl)benzamide|2-methyl-N-[3-(propan-2-yloxy)phenyl]benzamide|3'-Isopropoxy-2-methylbenzanilide|3'-isopropoxy-2-methylbenzoic acid anilide|3'-Isopropoxy-o-toluanilide|B1-2459|Basitac|BRN 2381749|UNII-QJK1MXY8DW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1037565
ARPathway2016 ARPathway2016_1327 Mepronil 55814-41-0 DTXSID1037565 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)OC1=CC=CC(NC(=O)C2=C(C)C=CC=C2)=C1 Mepronil 55814-41-0|Mepronil|2-Methyl-3'-isopropoxybenzanilide|2-Methyl-N-(3-(1-methylethoxy)phenyl)benzamide|2-methyl-N-[3-(propan-2-yloxy)phenyl]benzamide|3'-Isopropoxy-2-methylbenzanilide|3'-isopropoxy-2-methylbenzoic acid anilide|3'-Isopropoxy-o-toluanilide|B1-2459|Basitac|BRN 2381749|UNII-QJK1MXY8DW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1037565
ARPathway2016 ARPathway2016_1327 Mepronil 55814-41-0 DTXSID1037565 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)OC1=CC=CC(NC(=O)C2=C(C)C=CC=C2)=C1 Mepronil 55814-41-0|Mepronil|2-Methyl-3'-isopropoxybenzanilide|2-Methyl-N-(3-(1-methylethoxy)phenyl)benzamide|2-methyl-N-[3-(propan-2-yloxy)phenyl]benzamide|3'-Isopropoxy-2-methylbenzanilide|3'-isopropoxy-2-methylbenzoic acid anilide|3'-Isopropoxy-o-toluanilide|B1-2459|Basitac|BRN 2381749|UNII-QJK1MXY8DW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1037565
ERPathway2016 ERPathway2016_1538 Mepronil 55814-41-0 DTXSID1037565 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)OC1=CC=CC(NC(=O)C2=C(C)C=CC=C2)=C1 Mepronil 55814-41-0|Mepronil|2-Methyl-3'-isopropoxybenzanilide|2-Methyl-N-(3-(1-methylethoxy)phenyl)benzamide|2-methyl-N-[3-(propan-2-yloxy)phenyl]benzamide|3'-Isopropoxy-2-methylbenzanilide|3'-isopropoxy-2-methylbenzoic acid anilide|3'-Isopropoxy-o-toluanilide|B1-2459|Basitac|BRN 2381749|UNII-QJK1MXY8DW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1037565
ERPathway2016 ERPathway2016_1538 Mepronil 55814-41-0 DTXSID1037565 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)OC1=CC=CC(NC(=O)C2=C(C)C=CC=C2)=C1 Mepronil 55814-41-0|Mepronil|2-Methyl-3'-isopropoxybenzanilide|2-Methyl-N-(3-(1-methylethoxy)phenyl)benzamide|2-methyl-N-[3-(propan-2-yloxy)phenyl]benzamide|3'-Isopropoxy-2-methylbenzanilide|3'-isopropoxy-2-methylbenzoic acid anilide|3'-Isopropoxy-o-toluanilide|B1-2459|Basitac|BRN 2381749|UNII-QJK1MXY8DW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1037565
ERPathway2016 ERPathway2016_1538 Mepronil 55814-41-0 DTXSID1037565 ER Pathway Model, Agonist Call Inactive Unitless CC(C)OC1=CC=CC(NC(=O)C2=C(C)C=CC=C2)=C1 Mepronil 55814-41-0|Mepronil|2-Methyl-3'-isopropoxybenzanilide|2-Methyl-N-(3-(1-methylethoxy)phenyl)benzamide|2-methyl-N-[3-(propan-2-yloxy)phenyl]benzamide|3'-Isopropoxy-2-methylbenzanilide|3'-isopropoxy-2-methylbenzoic acid anilide|3'-Isopropoxy-o-toluanilide|B1-2459|Basitac|BRN 2381749|UNII-QJK1MXY8DW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1037565
ERPathway2016 ERPathway2016_1538 Mepronil 55814-41-0 DTXSID1037565 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)OC1=CC=CC(NC(=O)C2=C(C)C=CC=C2)=C1 Mepronil 55814-41-0|Mepronil|2-Methyl-3'-isopropoxybenzanilide|2-Methyl-N-(3-(1-methylethoxy)phenyl)benzamide|2-methyl-N-[3-(propan-2-yloxy)phenyl]benzamide|3'-Isopropoxy-2-methylbenzanilide|3'-isopropoxy-2-methylbenzoic acid anilide|3'-Isopropoxy-o-toluanilide|B1-2459|Basitac|BRN 2381749|UNII-QJK1MXY8DW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1037565
ARPathway2016 ARPathway2016_268 Mercuric chloride 7487-94-7 DTXSID5020811 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 62.18669472 uM [Cl-].[Cl-].[Hg++] Mercuric chloride 7487-94-7|Mercuric chloride|Abavit B|Bichloride of mercury|bichlorure de mercure|Calochlor|Calocure|Caswell No. 544|Chlorid rtutnaty|chlorure mercurique|ClHgCl|corrosive mercury chloride|Corrosive sublimate|Dichloromercury|Dichlorure de mercure|dicloruro de mercurio|EINECS 231-299-8|EPA Pesticide Chemical Code 052001|Fungchex|HgCl2|Hydraargyrum bichloratum|hydrargyrum bichloratum|MERCURIC BICHLORIDE|MERCURY (II) CHLORIDES|Mercury bichloride|Mercury chloride (HgCl2)|Mercury chloromercurate(II)|mercury dichloride|Mercury perchloride|MERCURY, BICHLORIDE, GRANULAR|Mercury(2+) chloride|Mercury(II) chloride|NCI-C60173|NSC 353255|perchloride of mercury|Quecksilber chlorid|QUECKSILBER(II)-CHLORID|Quecksilberdichlorid|Sublimat|Sublimate|Sulema|UN 1624|UNII-53GH7MZT1R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020811 https://doi.org/10.22427/NTP-DATA-DTXSID5020811
ARPathway2016 ARPathway2016_268 Mercuric chloride 7487-94-7 DTXSID5020811 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 38.08648267 uM [Cl-].[Cl-].[Hg++] Mercuric chloride 7487-94-7|Mercuric chloride|Abavit B|Bichloride of mercury|bichlorure de mercure|Calochlor|Calocure|Caswell No. 544|Chlorid rtutnaty|chlorure mercurique|ClHgCl|corrosive mercury chloride|Corrosive sublimate|Dichloromercury|Dichlorure de mercure|dicloruro de mercurio|EINECS 231-299-8|EPA Pesticide Chemical Code 052001|Fungchex|HgCl2|Hydraargyrum bichloratum|hydrargyrum bichloratum|MERCURIC BICHLORIDE|MERCURY (II) CHLORIDES|Mercury bichloride|Mercury chloride (HgCl2)|Mercury chloromercurate(II)|mercury dichloride|Mercury perchloride|MERCURY, BICHLORIDE, GRANULAR|Mercury(2+) chloride|Mercury(II) chloride|NCI-C60173|NSC 353255|perchloride of mercury|Quecksilber chlorid|QUECKSILBER(II)-CHLORID|Quecksilberdichlorid|Sublimat|Sublimate|Sulema|UN 1624|UNII-53GH7MZT1R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020811 https://doi.org/10.22427/NTP-DATA-DTXSID5020811
ARPathway2016 ARPathway2016_268 Mercuric chloride 7487-94-7 DTXSID5020811 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0665 Unitless [Cl-].[Cl-].[Hg++] Mercuric chloride 7487-94-7|Mercuric chloride|Abavit B|Bichloride of mercury|bichlorure de mercure|Calochlor|Calocure|Caswell No. 544|Chlorid rtutnaty|chlorure mercurique|ClHgCl|corrosive mercury chloride|Corrosive sublimate|Dichloromercury|Dichlorure de mercure|dicloruro de mercurio|EINECS 231-299-8|EPA Pesticide Chemical Code 052001|Fungchex|HgCl2|Hydraargyrum bichloratum|hydrargyrum bichloratum|MERCURIC BICHLORIDE|MERCURY (II) CHLORIDES|Mercury bichloride|Mercury chloride (HgCl2)|Mercury chloromercurate(II)|mercury dichloride|Mercury perchloride|MERCURY, BICHLORIDE, GRANULAR|Mercury(2+) chloride|Mercury(II) chloride|NCI-C60173|NSC 353255|perchloride of mercury|Quecksilber chlorid|QUECKSILBER(II)-CHLORID|Quecksilberdichlorid|Sublimat|Sublimate|Sulema|UN 1624|UNII-53GH7MZT1R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020811 https://doi.org/10.22427/NTP-DATA-DTXSID5020811
ARPathway2016 ARPathway2016_268 Mercuric chloride 7487-94-7 DTXSID5020811 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [Cl-].[Cl-].[Hg++] Mercuric chloride 7487-94-7|Mercuric chloride|Abavit B|Bichloride of mercury|bichlorure de mercure|Calochlor|Calocure|Caswell No. 544|Chlorid rtutnaty|chlorure mercurique|ClHgCl|corrosive mercury chloride|Corrosive sublimate|Dichloromercury|Dichlorure de mercure|dicloruro de mercurio|EINECS 231-299-8|EPA Pesticide Chemical Code 052001|Fungchex|HgCl2|Hydraargyrum bichloratum|hydrargyrum bichloratum|MERCURIC BICHLORIDE|MERCURY (II) CHLORIDES|Mercury bichloride|Mercury chloride (HgCl2)|Mercury chloromercurate(II)|mercury dichloride|Mercury perchloride|MERCURY, BICHLORIDE, GRANULAR|Mercury(2+) chloride|Mercury(II) chloride|NCI-C60173|NSC 353255|perchloride of mercury|Quecksilber chlorid|QUECKSILBER(II)-CHLORID|Quecksilberdichlorid|Sublimat|Sublimate|Sulema|UN 1624|UNII-53GH7MZT1R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020811 https://doi.org/10.22427/NTP-DATA-DTXSID5020811
ARPathway2016 ARPathway2016_268 Mercuric chloride 7487-94-7 DTXSID5020811 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Cl-].[Cl-].[Hg++] Mercuric chloride 7487-94-7|Mercuric chloride|Abavit B|Bichloride of mercury|bichlorure de mercure|Calochlor|Calocure|Caswell No. 544|Chlorid rtutnaty|chlorure mercurique|ClHgCl|corrosive mercury chloride|Corrosive sublimate|Dichloromercury|Dichlorure de mercure|dicloruro de mercurio|EINECS 231-299-8|EPA Pesticide Chemical Code 052001|Fungchex|HgCl2|Hydraargyrum bichloratum|hydrargyrum bichloratum|MERCURIC BICHLORIDE|MERCURY (II) CHLORIDES|Mercury bichloride|Mercury chloride (HgCl2)|Mercury chloromercurate(II)|mercury dichloride|Mercury perchloride|MERCURY, BICHLORIDE, GRANULAR|Mercury(2+) chloride|Mercury(II) chloride|NCI-C60173|NSC 353255|perchloride of mercury|Quecksilber chlorid|QUECKSILBER(II)-CHLORID|Quecksilberdichlorid|Sublimat|Sublimate|Sulema|UN 1624|UNII-53GH7MZT1R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020811 https://doi.org/10.22427/NTP-DATA-DTXSID5020811
ARPathway2016 ARPathway2016_268 Mercuric chloride 7487-94-7 DTXSID5020811 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].[Cl-].[Hg++] Mercuric chloride 7487-94-7|Mercuric chloride|Abavit B|Bichloride of mercury|bichlorure de mercure|Calochlor|Calocure|Caswell No. 544|Chlorid rtutnaty|chlorure mercurique|ClHgCl|corrosive mercury chloride|Corrosive sublimate|Dichloromercury|Dichlorure de mercure|dicloruro de mercurio|EINECS 231-299-8|EPA Pesticide Chemical Code 052001|Fungchex|HgCl2|Hydraargyrum bichloratum|hydrargyrum bichloratum|MERCURIC BICHLORIDE|MERCURY (II) CHLORIDES|Mercury bichloride|Mercury chloride (HgCl2)|Mercury chloromercurate(II)|mercury dichloride|Mercury perchloride|MERCURY, BICHLORIDE, GRANULAR|Mercury(2+) chloride|Mercury(II) chloride|NCI-C60173|NSC 353255|perchloride of mercury|Quecksilber chlorid|QUECKSILBER(II)-CHLORID|Quecksilberdichlorid|Sublimat|Sublimate|Sulema|UN 1624|UNII-53GH7MZT1R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020811 https://doi.org/10.22427/NTP-DATA-DTXSID5020811
ERPathway2016 ERPathway2016_139 Mercuric chloride 7487-94-7 DTXSID5020811 ER Pathway Model, Agonist AC50 35.4861339352137 uM [Cl-].[Cl-].[Hg++] Mercuric chloride 7487-94-7|Mercuric chloride|Abavit B|Bichloride of mercury|bichlorure de mercure|Calochlor|Calocure|Caswell No. 544|Chlorid rtutnaty|chlorure mercurique|ClHgCl|corrosive mercury chloride|Corrosive sublimate|Dichloromercury|Dichlorure de mercure|dicloruro de mercurio|EINECS 231-299-8|EPA Pesticide Chemical Code 052001|Fungchex|HgCl2|Hydraargyrum bichloratum|hydrargyrum bichloratum|MERCURIC BICHLORIDE|MERCURY (II) CHLORIDES|Mercury bichloride|Mercury chloride (HgCl2)|Mercury chloromercurate(II)|mercury dichloride|Mercury perchloride|MERCURY, BICHLORIDE, GRANULAR|Mercury(2+) chloride|Mercury(II) chloride|NCI-C60173|NSC 353255|perchloride of mercury|Quecksilber chlorid|QUECKSILBER(II)-CHLORID|Quecksilberdichlorid|Sublimat|Sublimate|Sulema|UN 1624|UNII-53GH7MZT1R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020811 https://doi.org/10.22427/NTP-DATA-DTXSID5020811
ERPathway2016 ERPathway2016_139 Mercuric chloride 7487-94-7 DTXSID5020811 ER Pathway Model, Agonist ACC 39.5979956171981 uM [Cl-].[Cl-].[Hg++] Mercuric chloride 7487-94-7|Mercuric chloride|Abavit B|Bichloride of mercury|bichlorure de mercure|Calochlor|Calocure|Caswell No. 544|Chlorid rtutnaty|chlorure mercurique|ClHgCl|corrosive mercury chloride|Corrosive sublimate|Dichloromercury|Dichlorure de mercure|dicloruro de mercurio|EINECS 231-299-8|EPA Pesticide Chemical Code 052001|Fungchex|HgCl2|Hydraargyrum bichloratum|hydrargyrum bichloratum|MERCURIC BICHLORIDE|MERCURY (II) CHLORIDES|Mercury bichloride|Mercury chloride (HgCl2)|Mercury chloromercurate(II)|mercury dichloride|Mercury perchloride|MERCURY, BICHLORIDE, GRANULAR|Mercury(2+) chloride|Mercury(II) chloride|NCI-C60173|NSC 353255|perchloride of mercury|Quecksilber chlorid|QUECKSILBER(II)-CHLORID|Quecksilberdichlorid|Sublimat|Sublimate|Sulema|UN 1624|UNII-53GH7MZT1R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020811 https://doi.org/10.22427/NTP-DATA-DTXSID5020811
ERPathway2016 ERPathway2016_139 Mercuric chloride 7487-94-7 DTXSID5020811 ER Pathway Model, Agonist Model Score 0 Unitless [Cl-].[Cl-].[Hg++] Mercuric chloride 7487-94-7|Mercuric chloride|Abavit B|Bichloride of mercury|bichlorure de mercure|Calochlor|Calocure|Caswell No. 544|Chlorid rtutnaty|chlorure mercurique|ClHgCl|corrosive mercury chloride|Corrosive sublimate|Dichloromercury|Dichlorure de mercure|dicloruro de mercurio|EINECS 231-299-8|EPA Pesticide Chemical Code 052001|Fungchex|HgCl2|Hydraargyrum bichloratum|hydrargyrum bichloratum|MERCURIC BICHLORIDE|MERCURY (II) CHLORIDES|Mercury bichloride|Mercury chloride (HgCl2)|Mercury chloromercurate(II)|mercury dichloride|Mercury perchloride|MERCURY, BICHLORIDE, GRANULAR|Mercury(2+) chloride|Mercury(II) chloride|NCI-C60173|NSC 353255|perchloride of mercury|Quecksilber chlorid|QUECKSILBER(II)-CHLORID|Quecksilberdichlorid|Sublimat|Sublimate|Sulema|UN 1624|UNII-53GH7MZT1R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020811 https://doi.org/10.22427/NTP-DATA-DTXSID5020811
ERPathway2016 ERPathway2016_139 Mercuric chloride 7487-94-7 DTXSID5020811 ER Pathway Model, Antagonist Model Score 0.00686 Unitless [Cl-].[Cl-].[Hg++] Mercuric chloride 7487-94-7|Mercuric chloride|Abavit B|Bichloride of mercury|bichlorure de mercure|Calochlor|Calocure|Caswell No. 544|Chlorid rtutnaty|chlorure mercurique|ClHgCl|corrosive mercury chloride|Corrosive sublimate|Dichloromercury|Dichlorure de mercure|dicloruro de mercurio|EINECS 231-299-8|EPA Pesticide Chemical Code 052001|Fungchex|HgCl2|Hydraargyrum bichloratum|hydrargyrum bichloratum|MERCURIC BICHLORIDE|MERCURY (II) CHLORIDES|Mercury bichloride|Mercury chloride (HgCl2)|Mercury chloromercurate(II)|mercury dichloride|Mercury perchloride|MERCURY, BICHLORIDE, GRANULAR|Mercury(2+) chloride|Mercury(II) chloride|NCI-C60173|NSC 353255|perchloride of mercury|Quecksilber chlorid|QUECKSILBER(II)-CHLORID|Quecksilberdichlorid|Sublimat|Sublimate|Sulema|UN 1624|UNII-53GH7MZT1R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020811 https://doi.org/10.22427/NTP-DATA-DTXSID5020811
ERPathway2016 ERPathway2016_139 Mercuric chloride 7487-94-7 DTXSID5020811 ER Pathway Model, Agonist Call Active Unitless [Cl-].[Cl-].[Hg++] Mercuric chloride 7487-94-7|Mercuric chloride|Abavit B|Bichloride of mercury|bichlorure de mercure|Calochlor|Calocure|Caswell No. 544|Chlorid rtutnaty|chlorure mercurique|ClHgCl|corrosive mercury chloride|Corrosive sublimate|Dichloromercury|Dichlorure de mercure|dicloruro de mercurio|EINECS 231-299-8|EPA Pesticide Chemical Code 052001|Fungchex|HgCl2|Hydraargyrum bichloratum|hydrargyrum bichloratum|MERCURIC BICHLORIDE|MERCURY (II) CHLORIDES|Mercury bichloride|Mercury chloride (HgCl2)|Mercury chloromercurate(II)|mercury dichloride|Mercury perchloride|MERCURY, BICHLORIDE, GRANULAR|Mercury(2+) chloride|Mercury(II) chloride|NCI-C60173|NSC 353255|perchloride of mercury|Quecksilber chlorid|QUECKSILBER(II)-CHLORID|Quecksilberdichlorid|Sublimat|Sublimate|Sulema|UN 1624|UNII-53GH7MZT1R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020811 https://doi.org/10.22427/NTP-DATA-DTXSID5020811
ERPathway2016 ERPathway2016_139 Mercuric chloride 7487-94-7 DTXSID5020811 ER Pathway Model, Antagonist Call Inactive Unitless [Cl-].[Cl-].[Hg++] Mercuric chloride 7487-94-7|Mercuric chloride|Abavit B|Bichloride of mercury|bichlorure de mercure|Calochlor|Calocure|Caswell No. 544|Chlorid rtutnaty|chlorure mercurique|ClHgCl|corrosive mercury chloride|Corrosive sublimate|Dichloromercury|Dichlorure de mercure|dicloruro de mercurio|EINECS 231-299-8|EPA Pesticide Chemical Code 052001|Fungchex|HgCl2|Hydraargyrum bichloratum|hydrargyrum bichloratum|MERCURIC BICHLORIDE|MERCURY (II) CHLORIDES|Mercury bichloride|Mercury chloride (HgCl2)|Mercury chloromercurate(II)|mercury dichloride|Mercury perchloride|MERCURY, BICHLORIDE, GRANULAR|Mercury(2+) chloride|Mercury(II) chloride|NCI-C60173|NSC 353255|perchloride of mercury|Quecksilber chlorid|QUECKSILBER(II)-CHLORID|Quecksilberdichlorid|Sublimat|Sublimate|Sulema|UN 1624|UNII-53GH7MZT1R https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020811 https://doi.org/10.22427/NTP-DATA-DTXSID5020811
ARPathway2016 ARPathway2016_445 Mesotrione 104206-82-8 DTXSID7032424 1.0 AR Pathway Model, Antagonist Model Score 0 Unitless CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C1C(=O)CCCC1=O)[N+]([O-])=O Mesotrione 104206-82-8|Mesotrione|(2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione|1,3-Cyclohexanedione, 2-[4-(methylsulfonyl)-2-nitrobenzoyl]-|2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione|2-(4-mesyl-2-nitrobenzoyl)cyclohexane-1,3-dione|2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione|2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione|2-{4-(Methylsulfonyl)-2-nitrobenzoyl}- 1,3-cyclohexanedione|600-533-4|AMBA|Callisto|EC No.: 600-533-4|EINECS Annex I Index 609-064-00-X|Tenacity|Tenacity (herbicide)|UNII-48TR68G21T|Xiaohuangcaotong|ZA 1296|207996-81-4|435270-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032424 https://doi.org/10.22427/NTP-DATA-DTXSID7032424
ARPathway2016 ARPathway2016_445 Mesotrione 104206-82-8 DTXSID7032424 1.0 AR Pathway Model, Agonist Model Score 0 Unitless CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C1C(=O)CCCC1=O)[N+]([O-])=O Mesotrione 104206-82-8|Mesotrione|(2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione|1,3-Cyclohexanedione, 2-[4-(methylsulfonyl)-2-nitrobenzoyl]-|2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione|2-(4-mesyl-2-nitrobenzoyl)cyclohexane-1,3-dione|2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione|2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione|2-{4-(Methylsulfonyl)-2-nitrobenzoyl}- 1,3-cyclohexanedione|600-533-4|AMBA|Callisto|EC No.: 600-533-4|EINECS Annex I Index 609-064-00-X|Tenacity|Tenacity (herbicide)|UNII-48TR68G21T|Xiaohuangcaotong|ZA 1296|207996-81-4|435270-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032424 https://doi.org/10.22427/NTP-DATA-DTXSID7032424
ARPathway2016 ARPathway2016_445 Mesotrione 104206-82-8 DTXSID7032424 1.0 AR Pathway Model, Agonist Call Inactive Unitless CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C1C(=O)CCCC1=O)[N+]([O-])=O Mesotrione 104206-82-8|Mesotrione|(2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione|1,3-Cyclohexanedione, 2-[4-(methylsulfonyl)-2-nitrobenzoyl]-|2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione|2-(4-mesyl-2-nitrobenzoyl)cyclohexane-1,3-dione|2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione|2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione|2-{4-(Methylsulfonyl)-2-nitrobenzoyl}- 1,3-cyclohexanedione|600-533-4|AMBA|Callisto|EC No.: 600-533-4|EINECS Annex I Index 609-064-00-X|Tenacity|Tenacity (herbicide)|UNII-48TR68G21T|Xiaohuangcaotong|ZA 1296|207996-81-4|435270-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032424 https://doi.org/10.22427/NTP-DATA-DTXSID7032424
ARPathway2016 ARPathway2016_445 Mesotrione 104206-82-8 DTXSID7032424 1.0 AR Pathway Model, Antagonist Call Inactive Unitless CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C1C(=O)CCCC1=O)[N+]([O-])=O Mesotrione 104206-82-8|Mesotrione|(2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione|1,3-Cyclohexanedione, 2-[4-(methylsulfonyl)-2-nitrobenzoyl]-|2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione|2-(4-mesyl-2-nitrobenzoyl)cyclohexane-1,3-dione|2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione|2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione|2-{4-(Methylsulfonyl)-2-nitrobenzoyl}- 1,3-cyclohexanedione|600-533-4|AMBA|Callisto|EC No.: 600-533-4|EINECS Annex I Index 609-064-00-X|Tenacity|Tenacity (herbicide)|UNII-48TR68G21T|Xiaohuangcaotong|ZA 1296|207996-81-4|435270-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032424 https://doi.org/10.22427/NTP-DATA-DTXSID7032424
ERPathway2016 ERPathway2016_1075 Mesotrione 104206-82-8 DTXSID7032424 ER Pathway Model, Agonist Model Score 0 Unitless CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C1C(=O)CCCC1=O)[N+]([O-])=O Mesotrione 104206-82-8|Mesotrione|(2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione|1,3-Cyclohexanedione, 2-[4-(methylsulfonyl)-2-nitrobenzoyl]-|2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione|2-(4-mesyl-2-nitrobenzoyl)cyclohexane-1,3-dione|2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione|2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione|2-{4-(Methylsulfonyl)-2-nitrobenzoyl}- 1,3-cyclohexanedione|600-533-4|AMBA|Callisto|EC No.: 600-533-4|EINECS Annex I Index 609-064-00-X|Tenacity|Tenacity (herbicide)|UNII-48TR68G21T|Xiaohuangcaotong|ZA 1296|207996-81-4|435270-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032424 https://doi.org/10.22427/NTP-DATA-DTXSID7032424
ERPathway2016 ERPathway2016_1075 Mesotrione 104206-82-8 DTXSID7032424 ER Pathway Model, Antagonist Model Score 0 Unitless CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C1C(=O)CCCC1=O)[N+]([O-])=O Mesotrione 104206-82-8|Mesotrione|(2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione|1,3-Cyclohexanedione, 2-[4-(methylsulfonyl)-2-nitrobenzoyl]-|2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione|2-(4-mesyl-2-nitrobenzoyl)cyclohexane-1,3-dione|2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione|2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione|2-{4-(Methylsulfonyl)-2-nitrobenzoyl}- 1,3-cyclohexanedione|600-533-4|AMBA|Callisto|EC No.: 600-533-4|EINECS Annex I Index 609-064-00-X|Tenacity|Tenacity (herbicide)|UNII-48TR68G21T|Xiaohuangcaotong|ZA 1296|207996-81-4|435270-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032424 https://doi.org/10.22427/NTP-DATA-DTXSID7032424
ERPathway2016 ERPathway2016_1075 Mesotrione 104206-82-8 DTXSID7032424 ER Pathway Model, Agonist Call Inactive Unitless CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C1C(=O)CCCC1=O)[N+]([O-])=O Mesotrione 104206-82-8|Mesotrione|(2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione|1,3-Cyclohexanedione, 2-[4-(methylsulfonyl)-2-nitrobenzoyl]-|2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione|2-(4-mesyl-2-nitrobenzoyl)cyclohexane-1,3-dione|2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione|2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione|2-{4-(Methylsulfonyl)-2-nitrobenzoyl}- 1,3-cyclohexanedione|600-533-4|AMBA|Callisto|EC No.: 600-533-4|EINECS Annex I Index 609-064-00-X|Tenacity|Tenacity (herbicide)|UNII-48TR68G21T|Xiaohuangcaotong|ZA 1296|207996-81-4|435270-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032424 https://doi.org/10.22427/NTP-DATA-DTXSID7032424
ERPathway2016 ERPathway2016_1075 Mesotrione 104206-82-8 DTXSID7032424 ER Pathway Model, Antagonist Call Inactive Unitless CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C1C(=O)CCCC1=O)[N+]([O-])=O Mesotrione 104206-82-8|Mesotrione|(2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione|1,3-Cyclohexanedione, 2-[4-(methylsulfonyl)-2-nitrobenzoyl]-|2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione|2-(4-mesyl-2-nitrobenzoyl)cyclohexane-1,3-dione|2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione|2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione|2-{4-(Methylsulfonyl)-2-nitrobenzoyl}- 1,3-cyclohexanedione|600-533-4|AMBA|Callisto|EC No.: 600-533-4|EINECS Annex I Index 609-064-00-X|Tenacity|Tenacity (herbicide)|UNII-48TR68G21T|Xiaohuangcaotong|ZA 1296|207996-81-4|435270-61-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032424 https://doi.org/10.22427/NTP-DATA-DTXSID7032424
ARPathway2016 ARPathway2016_261 Mestranol 72-33-3 DTXSID0020814 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 3.272625309 uM [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3 Mestranol 72-33-3|Mestranol|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(17-alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol|(17a)-3-Methoxy-19-norpregna-1,3,5-(10)-trien-20-yn-17-ol|17-alpha-Ethinyl estradiol 3-methyl ether|17-alpha-Ethinyl oestradiol 3-methyl ether|17-alpha-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17-beta-ol|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-estratriene|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-oestratriene|17-alpha-Ethynyloestradiol methyl ether|17-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17b-o1|17-Ethynyl-3-methoxy-1,3,5(10)-oestratien-17-beta-ol|17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17b-ol|17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol|17-Ethynylestradiol 3-methyl ether|17-Ethynyloestradiol 3-methyl ether|17alpha-19-Norpregna-1,3,|43085-54-7|53445-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020814
ARPathway2016 ARPathway2016_261 Mestranol 72-33-3 DTXSID0020814 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 4.55582774817469 uM [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3 Mestranol 72-33-3|Mestranol|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(17-alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol|(17a)-3-Methoxy-19-norpregna-1,3,5-(10)-trien-20-yn-17-ol|17-alpha-Ethinyl estradiol 3-methyl ether|17-alpha-Ethinyl oestradiol 3-methyl ether|17-alpha-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17-beta-ol|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-estratriene|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-oestratriene|17-alpha-Ethynyloestradiol methyl ether|17-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17b-o1|17-Ethynyl-3-methoxy-1,3,5(10)-oestratien-17-beta-ol|17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17b-ol|17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol|17-Ethynylestradiol 3-methyl ether|17-Ethynyloestradiol 3-methyl ether|17alpha-19-Norpregna-1,3,|43085-54-7|53445-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020814
ARPathway2016 ARPathway2016_261 Mestranol 72-33-3 DTXSID0020814 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.616 Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3 Mestranol 72-33-3|Mestranol|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(17-alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol|(17a)-3-Methoxy-19-norpregna-1,3,5-(10)-trien-20-yn-17-ol|17-alpha-Ethinyl estradiol 3-methyl ether|17-alpha-Ethinyl oestradiol 3-methyl ether|17-alpha-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17-beta-ol|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-estratriene|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-oestratriene|17-alpha-Ethynyloestradiol methyl ether|17-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17b-o1|17-Ethynyl-3-methoxy-1,3,5(10)-oestratien-17-beta-ol|17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17b-ol|17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol|17-Ethynylestradiol 3-methyl ether|17-Ethynyloestradiol 3-methyl ether|17alpha-19-Norpregna-1,3,|43085-54-7|53445-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020814
ARPathway2016 ARPathway2016_261 Mestranol 72-33-3 DTXSID0020814 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3 Mestranol 72-33-3|Mestranol|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(17-alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol|(17a)-3-Methoxy-19-norpregna-1,3,5-(10)-trien-20-yn-17-ol|17-alpha-Ethinyl estradiol 3-methyl ether|17-alpha-Ethinyl oestradiol 3-methyl ether|17-alpha-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17-beta-ol|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-estratriene|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-oestratriene|17-alpha-Ethynyloestradiol methyl ether|17-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17b-o1|17-Ethynyl-3-methoxy-1,3,5(10)-oestratien-17-beta-ol|17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17b-ol|17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol|17-Ethynylestradiol 3-methyl ether|17-Ethynyloestradiol 3-methyl ether|17alpha-19-Norpregna-1,3,|43085-54-7|53445-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020814
ARPathway2016 ARPathway2016_261 Mestranol 72-33-3 DTXSID0020814 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3 Mestranol 72-33-3|Mestranol|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(17-alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol|(17a)-3-Methoxy-19-norpregna-1,3,5-(10)-trien-20-yn-17-ol|17-alpha-Ethinyl estradiol 3-methyl ether|17-alpha-Ethinyl oestradiol 3-methyl ether|17-alpha-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17-beta-ol|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-estratriene|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-oestratriene|17-alpha-Ethynyloestradiol methyl ether|17-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17b-o1|17-Ethynyl-3-methoxy-1,3,5(10)-oestratien-17-beta-ol|17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17b-ol|17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol|17-Ethynylestradiol 3-methyl ether|17-Ethynyloestradiol 3-methyl ether|17alpha-19-Norpregna-1,3,|43085-54-7|53445-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020814
ARPathway2016 ARPathway2016_261 Mestranol 72-33-3 DTXSID0020814 True antagonist shift (No hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3 Mestranol 72-33-3|Mestranol|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(17-alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol|(17a)-3-Methoxy-19-norpregna-1,3,5-(10)-trien-20-yn-17-ol|17-alpha-Ethinyl estradiol 3-methyl ether|17-alpha-Ethinyl oestradiol 3-methyl ether|17-alpha-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17-beta-ol|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-estratriene|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-oestratriene|17-alpha-Ethynyloestradiol methyl ether|17-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17b-o1|17-Ethynyl-3-methoxy-1,3,5(10)-oestratien-17-beta-ol|17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17b-ol|17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol|17-Ethynylestradiol 3-methyl ether|17-Ethynyloestradiol 3-methyl ether|17alpha-19-Norpregna-1,3,|43085-54-7|53445-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020814
ERPathway2016 ERPathway2016_152 Mestranol 72-33-3 DTXSID0020814 Agonist ER Pathway Model, Antagonist AC50 0.0664046943664683 uM [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3 Mestranol 72-33-3|Mestranol|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(17-alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol|(17a)-3-Methoxy-19-norpregna-1,3,5-(10)-trien-20-yn-17-ol|17-alpha-Ethinyl estradiol 3-methyl ether|17-alpha-Ethinyl oestradiol 3-methyl ether|17-alpha-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17-beta-ol|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-estratriene|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-oestratriene|17-alpha-Ethynyloestradiol methyl ether|17-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17b-o1|17-Ethynyl-3-methoxy-1,3,5(10)-oestratien-17-beta-ol|17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17b-ol|17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol|17-Ethynylestradiol 3-methyl ether|17-Ethynyloestradiol 3-methyl ether|17alpha-19-Norpregna-1,3,|43085-54-7|53445-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020814
ERPathway2016 ERPathway2016_152 Mestranol 72-33-3 DTXSID0020814 Agonist ER Pathway Model, Antagonist ACC 0.026475883852756 uM [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3 Mestranol 72-33-3|Mestranol|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(17-alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol|(17a)-3-Methoxy-19-norpregna-1,3,5-(10)-trien-20-yn-17-ol|17-alpha-Ethinyl estradiol 3-methyl ether|17-alpha-Ethinyl oestradiol 3-methyl ether|17-alpha-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17-beta-ol|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-estratriene|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-oestratriene|17-alpha-Ethynyloestradiol methyl ether|17-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17b-o1|17-Ethynyl-3-methoxy-1,3,5(10)-oestratien-17-beta-ol|17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17b-ol|17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol|17-Ethynylestradiol 3-methyl ether|17-Ethynyloestradiol 3-methyl ether|17alpha-19-Norpregna-1,3,|43085-54-7|53445-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020814
ERPathway2016 ERPathway2016_152 Mestranol 72-33-3 DTXSID0020814 Agonist ER Pathway Model, Agonist Model Score 0.742 Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3 Mestranol 72-33-3|Mestranol|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(17-alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol|(17a)-3-Methoxy-19-norpregna-1,3,5-(10)-trien-20-yn-17-ol|17-alpha-Ethinyl estradiol 3-methyl ether|17-alpha-Ethinyl oestradiol 3-methyl ether|17-alpha-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17-beta-ol|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-estratriene|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-oestratriene|17-alpha-Ethynyloestradiol methyl ether|17-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17b-o1|17-Ethynyl-3-methoxy-1,3,5(10)-oestratien-17-beta-ol|17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17b-ol|17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol|17-Ethynylestradiol 3-methyl ether|17-Ethynyloestradiol 3-methyl ether|17alpha-19-Norpregna-1,3,|43085-54-7|53445-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020814
ERPathway2016 ERPathway2016_152 Mestranol 72-33-3 DTXSID0020814 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3 Mestranol 72-33-3|Mestranol|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(17-alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol|(17a)-3-Methoxy-19-norpregna-1,3,5-(10)-trien-20-yn-17-ol|17-alpha-Ethinyl estradiol 3-methyl ether|17-alpha-Ethinyl oestradiol 3-methyl ether|17-alpha-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17-beta-ol|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-estratriene|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-oestratriene|17-alpha-Ethynyloestradiol methyl ether|17-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17b-o1|17-Ethynyl-3-methoxy-1,3,5(10)-oestratien-17-beta-ol|17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17b-ol|17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol|17-Ethynylestradiol 3-methyl ether|17-Ethynyloestradiol 3-methyl ether|17alpha-19-Norpregna-1,3,|43085-54-7|53445-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020814
ERPathway2016 ERPathway2016_152 Mestranol 72-33-3 DTXSID0020814 Agonist ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3 Mestranol 72-33-3|Mestranol|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(17-alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol|(17a)-3-Methoxy-19-norpregna-1,3,5-(10)-trien-20-yn-17-ol|17-alpha-Ethinyl estradiol 3-methyl ether|17-alpha-Ethinyl oestradiol 3-methyl ether|17-alpha-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17-beta-ol|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-estratriene|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-oestratriene|17-alpha-Ethynyloestradiol methyl ether|17-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17b-o1|17-Ethynyl-3-methoxy-1,3,5(10)-oestratien-17-beta-ol|17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17b-ol|17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol|17-Ethynylestradiol 3-methyl ether|17-Ethynyloestradiol 3-methyl ether|17alpha-19-Norpregna-1,3,|43085-54-7|53445-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020814
ERPathway2016 ERPathway2016_152 Mestranol 72-33-3 DTXSID0020814 Agonist ER Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3 Mestranol 72-33-3|Mestranol|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene|(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene|(17-alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol|(17a)-3-Methoxy-19-norpregna-1,3,5-(10)-trien-20-yn-17-ol|17-alpha-Ethinyl estradiol 3-methyl ether|17-alpha-Ethinyl oestradiol 3-methyl ether|17-alpha-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17-beta-ol|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-estratriene|17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-oestratriene|17-alpha-Ethynyloestradiol methyl ether|17-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17b-o1|17-Ethynyl-3-methoxy-1,3,5(10)-oestratien-17-beta-ol|17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17b-ol|17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol|17-Ethynylestradiol 3-methyl ether|17-Ethynyloestradiol 3-methyl ether|17alpha-19-Norpregna-1,3,|43085-54-7|53445-46-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020814
ARPathway2016 ARPathway2016_1349 Metalaxyl 57837-19-1 DTXSID6024175 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless COCC(=O)N(C(C)C(=O)OC)C1=C(C)C=CC=C1C Metalaxyl 57837-19-1|Metalaxyl|(+/-)-Metalaxyl|260-979-7|Acceleron DC 309|Acceleron DX 309|Alanine, N-(2,6-dimethylphenyl)-N-(2-methoxyacetyl)-, methyl ester|Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester|Allegiance|Allegiance FL|Apron|Apron 350FW|Apron 35J|Apron 35WS|Apron FL|Apron SD 35|Apron TL|Axyl-Shield ST|BRN 2947777|Caswell No. 375AA|CG 117|CGA 48988|CiA-48988|D,L-N-(2,6-Dimethylphenyl)-N-(2'-methoxyacetyl)alaninate de methyle|DL-Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester|EC No.: 260-979-7|EINECS 260-979-7|EPA Pesticide Chemical Code 113501|Fonganil Neu|Himil Gold|IPO-FS|Jiashuangling|Krilaxyl|Metalaxil|Metanaxin|Metasyl|Metaxanin|Metaxanine|Methyl N-(2-methoxyacetyl)-N-(2,6-xylyl)-DL-alaninate|methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate|Methyl N-methoxyacetyl-N-(2,6-dimethylphenyl)-DL-alaninate|Methyl-N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninat|N-(2,6-Dimethylphenyl)-N-(methoxyacetyl)-alanine methyl ester|N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate de meth|102256-63-3|1135441-62-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024175
ARPathway2016 ARPathway2016_1349 Metalaxyl 57837-19-1 DTXSID6024175 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless COCC(=O)N(C(C)C(=O)OC)C1=C(C)C=CC=C1C Metalaxyl 57837-19-1|Metalaxyl|(+/-)-Metalaxyl|260-979-7|Acceleron DC 309|Acceleron DX 309|Alanine, N-(2,6-dimethylphenyl)-N-(2-methoxyacetyl)-, methyl ester|Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester|Allegiance|Allegiance FL|Apron|Apron 350FW|Apron 35J|Apron 35WS|Apron FL|Apron SD 35|Apron TL|Axyl-Shield ST|BRN 2947777|Caswell No. 375AA|CG 117|CGA 48988|CiA-48988|D,L-N-(2,6-Dimethylphenyl)-N-(2'-methoxyacetyl)alaninate de methyle|DL-Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester|EC No.: 260-979-7|EINECS 260-979-7|EPA Pesticide Chemical Code 113501|Fonganil Neu|Himil Gold|IPO-FS|Jiashuangling|Krilaxyl|Metalaxil|Metanaxin|Metasyl|Metaxanin|Metaxanine|Methyl N-(2-methoxyacetyl)-N-(2,6-xylyl)-DL-alaninate|methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate|Methyl N-methoxyacetyl-N-(2,6-dimethylphenyl)-DL-alaninate|Methyl-N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninat|N-(2,6-Dimethylphenyl)-N-(methoxyacetyl)-alanine methyl ester|N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate de meth|102256-63-3|1135441-62-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024175
ARPathway2016 ARPathway2016_1349 Metalaxyl 57837-19-1 DTXSID6024175 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless COCC(=O)N(C(C)C(=O)OC)C1=C(C)C=CC=C1C Metalaxyl 57837-19-1|Metalaxyl|(+/-)-Metalaxyl|260-979-7|Acceleron DC 309|Acceleron DX 309|Alanine, N-(2,6-dimethylphenyl)-N-(2-methoxyacetyl)-, methyl ester|Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester|Allegiance|Allegiance FL|Apron|Apron 350FW|Apron 35J|Apron 35WS|Apron FL|Apron SD 35|Apron TL|Axyl-Shield ST|BRN 2947777|Caswell No. 375AA|CG 117|CGA 48988|CiA-48988|D,L-N-(2,6-Dimethylphenyl)-N-(2'-methoxyacetyl)alaninate de methyle|DL-Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester|EC No.: 260-979-7|EINECS 260-979-7|EPA Pesticide Chemical Code 113501|Fonganil Neu|Himil Gold|IPO-FS|Jiashuangling|Krilaxyl|Metalaxil|Metanaxin|Metasyl|Metaxanin|Metaxanine|Methyl N-(2-methoxyacetyl)-N-(2,6-xylyl)-DL-alaninate|methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate|Methyl N-methoxyacetyl-N-(2,6-dimethylphenyl)-DL-alaninate|Methyl-N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninat|N-(2,6-Dimethylphenyl)-N-(methoxyacetyl)-alanine methyl ester|N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate de meth|102256-63-3|1135441-62-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024175
ARPathway2016 ARPathway2016_1349 Metalaxyl 57837-19-1 DTXSID6024175 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless COCC(=O)N(C(C)C(=O)OC)C1=C(C)C=CC=C1C Metalaxyl 57837-19-1|Metalaxyl|(+/-)-Metalaxyl|260-979-7|Acceleron DC 309|Acceleron DX 309|Alanine, N-(2,6-dimethylphenyl)-N-(2-methoxyacetyl)-, methyl ester|Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester|Allegiance|Allegiance FL|Apron|Apron 350FW|Apron 35J|Apron 35WS|Apron FL|Apron SD 35|Apron TL|Axyl-Shield ST|BRN 2947777|Caswell No. 375AA|CG 117|CGA 48988|CiA-48988|D,L-N-(2,6-Dimethylphenyl)-N-(2'-methoxyacetyl)alaninate de methyle|DL-Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester|EC No.: 260-979-7|EINECS 260-979-7|EPA Pesticide Chemical Code 113501|Fonganil Neu|Himil Gold|IPO-FS|Jiashuangling|Krilaxyl|Metalaxil|Metanaxin|Metasyl|Metaxanin|Metaxanine|Methyl N-(2-methoxyacetyl)-N-(2,6-xylyl)-DL-alaninate|methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate|Methyl N-methoxyacetyl-N-(2,6-dimethylphenyl)-DL-alaninate|Methyl-N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninat|N-(2,6-Dimethylphenyl)-N-(methoxyacetyl)-alanine methyl ester|N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate de meth|102256-63-3|1135441-62-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024175
ERPathway2016 ERPathway2016_1553 Metalaxyl 57837-19-1 DTXSID6024175 ER Pathway Model, Agonist Model Score 0 Unitless COCC(=O)N(C(C)C(=O)OC)C1=C(C)C=CC=C1C Metalaxyl 57837-19-1|Metalaxyl|(+/-)-Metalaxyl|260-979-7|Acceleron DC 309|Acceleron DX 309|Alanine, N-(2,6-dimethylphenyl)-N-(2-methoxyacetyl)-, methyl ester|Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester|Allegiance|Allegiance FL|Apron|Apron 350FW|Apron 35J|Apron 35WS|Apron FL|Apron SD 35|Apron TL|Axyl-Shield ST|BRN 2947777|Caswell No. 375AA|CG 117|CGA 48988|CiA-48988|D,L-N-(2,6-Dimethylphenyl)-N-(2'-methoxyacetyl)alaninate de methyle|DL-Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester|EC No.: 260-979-7|EINECS 260-979-7|EPA Pesticide Chemical Code 113501|Fonganil Neu|Himil Gold|IPO-FS|Jiashuangling|Krilaxyl|Metalaxil|Metanaxin|Metasyl|Metaxanin|Metaxanine|Methyl N-(2-methoxyacetyl)-N-(2,6-xylyl)-DL-alaninate|methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate|Methyl N-methoxyacetyl-N-(2,6-dimethylphenyl)-DL-alaninate|Methyl-N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninat|N-(2,6-Dimethylphenyl)-N-(methoxyacetyl)-alanine methyl ester|N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate de meth|102256-63-3|1135441-62-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024175
ERPathway2016 ERPathway2016_1553 Metalaxyl 57837-19-1 DTXSID6024175 ER Pathway Model, Antagonist Model Score 0 Unitless COCC(=O)N(C(C)C(=O)OC)C1=C(C)C=CC=C1C Metalaxyl 57837-19-1|Metalaxyl|(+/-)-Metalaxyl|260-979-7|Acceleron DC 309|Acceleron DX 309|Alanine, N-(2,6-dimethylphenyl)-N-(2-methoxyacetyl)-, methyl ester|Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester|Allegiance|Allegiance FL|Apron|Apron 350FW|Apron 35J|Apron 35WS|Apron FL|Apron SD 35|Apron TL|Axyl-Shield ST|BRN 2947777|Caswell No. 375AA|CG 117|CGA 48988|CiA-48988|D,L-N-(2,6-Dimethylphenyl)-N-(2'-methoxyacetyl)alaninate de methyle|DL-Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester|EC No.: 260-979-7|EINECS 260-979-7|EPA Pesticide Chemical Code 113501|Fonganil Neu|Himil Gold|IPO-FS|Jiashuangling|Krilaxyl|Metalaxil|Metanaxin|Metasyl|Metaxanin|Metaxanine|Methyl N-(2-methoxyacetyl)-N-(2,6-xylyl)-DL-alaninate|methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate|Methyl N-methoxyacetyl-N-(2,6-dimethylphenyl)-DL-alaninate|Methyl-N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninat|N-(2,6-Dimethylphenyl)-N-(methoxyacetyl)-alanine methyl ester|N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate de meth|102256-63-3|1135441-62-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024175
ERPathway2016 ERPathway2016_1553 Metalaxyl 57837-19-1 DTXSID6024175 ER Pathway Model, Agonist Call Inactive Unitless COCC(=O)N(C(C)C(=O)OC)C1=C(C)C=CC=C1C Metalaxyl 57837-19-1|Metalaxyl|(+/-)-Metalaxyl|260-979-7|Acceleron DC 309|Acceleron DX 309|Alanine, N-(2,6-dimethylphenyl)-N-(2-methoxyacetyl)-, methyl ester|Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester|Allegiance|Allegiance FL|Apron|Apron 350FW|Apron 35J|Apron 35WS|Apron FL|Apron SD 35|Apron TL|Axyl-Shield ST|BRN 2947777|Caswell No. 375AA|CG 117|CGA 48988|CiA-48988|D,L-N-(2,6-Dimethylphenyl)-N-(2'-methoxyacetyl)alaninate de methyle|DL-Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester|EC No.: 260-979-7|EINECS 260-979-7|EPA Pesticide Chemical Code 113501|Fonganil Neu|Himil Gold|IPO-FS|Jiashuangling|Krilaxyl|Metalaxil|Metanaxin|Metasyl|Metaxanin|Metaxanine|Methyl N-(2-methoxyacetyl)-N-(2,6-xylyl)-DL-alaninate|methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate|Methyl N-methoxyacetyl-N-(2,6-dimethylphenyl)-DL-alaninate|Methyl-N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninat|N-(2,6-Dimethylphenyl)-N-(methoxyacetyl)-alanine methyl ester|N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate de meth|102256-63-3|1135441-62-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024175
ERPathway2016 ERPathway2016_1553 Metalaxyl 57837-19-1 DTXSID6024175 ER Pathway Model, Antagonist Call Inactive Unitless COCC(=O)N(C(C)C(=O)OC)C1=C(C)C=CC=C1C Metalaxyl 57837-19-1|Metalaxyl|(+/-)-Metalaxyl|260-979-7|Acceleron DC 309|Acceleron DX 309|Alanine, N-(2,6-dimethylphenyl)-N-(2-methoxyacetyl)-, methyl ester|Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester|Allegiance|Allegiance FL|Apron|Apron 350FW|Apron 35J|Apron 35WS|Apron FL|Apron SD 35|Apron TL|Axyl-Shield ST|BRN 2947777|Caswell No. 375AA|CG 117|CGA 48988|CiA-48988|D,L-N-(2,6-Dimethylphenyl)-N-(2'-methoxyacetyl)alaninate de methyle|DL-Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester|EC No.: 260-979-7|EINECS 260-979-7|EPA Pesticide Chemical Code 113501|Fonganil Neu|Himil Gold|IPO-FS|Jiashuangling|Krilaxyl|Metalaxil|Metanaxin|Metasyl|Metaxanin|Metaxanine|Methyl N-(2-methoxyacetyl)-N-(2,6-xylyl)-DL-alaninate|methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate|Methyl N-methoxyacetyl-N-(2,6-dimethylphenyl)-DL-alaninate|Methyl-N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninat|N-(2,6-Dimethylphenyl)-N-(methoxyacetyl)-alanine methyl ester|N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate de meth|102256-63-3|1135441-62-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024175
ARPathway2016 ARPathway2016_809 Metam-sodium 137-42-8 DTXSID2029167 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CNC([S-])=S Metam-sodium 137-42-8|Metam-sodium|Basamid-fluid|Carbam|Carbamic acid, methyldithio-, monosodium salt|Carbamic acid, methyldithio-, sodium salt|Carbamodithioic acid, methyl-, monosodium salt|Carbathion|Carbathione|Carbation|Carbothion|Diethylamino-2,6-acetoxylidide|EINECS 205-293-0|Karbation|Mapasol|Maposol|Masposol|Metam sodium|Metam-fluid Basf|Metam-natrium|metam-sodio|Metamsodium|Metham sodium|Methan-sodium|METHYL CARBAMODITHIOATE, MONOSODIUM|METHYL DITHIOCARBAMATE, SODIUM|Methylcarbamodithioic acid sodium salt|Methyldithiocarbamic acid, sodium salt|Methyldithiokarbaman sodny|Monosodium methylcarbamodithioate|N-Methylaminodithioformic acid sodium salt|N-Methylaminomethanethionothiolic acid sodium salt|N-Methyldithiocarbamate de sodium|N-Metil-ditiocarbammato di sodio|Natrium-N-methyl-dithiocarbamaat|Natrium-N-methyl-dithiocarbamat|Nematin|NSC 3515|Sectagon II|Sepivam|Sodium metam|Sodium metham|Sodium methylcarbamodithioate|Sodium methyldithiocarbamate|Sodium monomethyldithiocarbamate|Sodium N-methylaminodithioformate|Sodium N-methylaminomet|118939-68-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029167
ARPathway2016 ARPathway2016_809 Metam-sodium 137-42-8 DTXSID2029167 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CNC([S-])=S Metam-sodium 137-42-8|Metam-sodium|Basamid-fluid|Carbam|Carbamic acid, methyldithio-, monosodium salt|Carbamic acid, methyldithio-, sodium salt|Carbamodithioic acid, methyl-, monosodium salt|Carbathion|Carbathione|Carbation|Carbothion|Diethylamino-2,6-acetoxylidide|EINECS 205-293-0|Karbation|Mapasol|Maposol|Masposol|Metam sodium|Metam-fluid Basf|Metam-natrium|metam-sodio|Metamsodium|Metham sodium|Methan-sodium|METHYL CARBAMODITHIOATE, MONOSODIUM|METHYL DITHIOCARBAMATE, SODIUM|Methylcarbamodithioic acid sodium salt|Methyldithiocarbamic acid, sodium salt|Methyldithiokarbaman sodny|Monosodium methylcarbamodithioate|N-Methylaminodithioformic acid sodium salt|N-Methylaminomethanethionothiolic acid sodium salt|N-Methyldithiocarbamate de sodium|N-Metil-ditiocarbammato di sodio|Natrium-N-methyl-dithiocarbamaat|Natrium-N-methyl-dithiocarbamat|Nematin|NSC 3515|Sectagon II|Sepivam|Sodium metam|Sodium metham|Sodium methylcarbamodithioate|Sodium methyldithiocarbamate|Sodium monomethyldithiocarbamate|Sodium N-methylaminodithioformate|Sodium N-methylaminomet|118939-68-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029167
ARPathway2016 ARPathway2016_809 Metam-sodium 137-42-8 DTXSID2029167 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CNC([S-])=S Metam-sodium 137-42-8|Metam-sodium|Basamid-fluid|Carbam|Carbamic acid, methyldithio-, monosodium salt|Carbamic acid, methyldithio-, sodium salt|Carbamodithioic acid, methyl-, monosodium salt|Carbathion|Carbathione|Carbation|Carbothion|Diethylamino-2,6-acetoxylidide|EINECS 205-293-0|Karbation|Mapasol|Maposol|Masposol|Metam sodium|Metam-fluid Basf|Metam-natrium|metam-sodio|Metamsodium|Metham sodium|Methan-sodium|METHYL CARBAMODITHIOATE, MONOSODIUM|METHYL DITHIOCARBAMATE, SODIUM|Methylcarbamodithioic acid sodium salt|Methyldithiocarbamic acid, sodium salt|Methyldithiokarbaman sodny|Monosodium methylcarbamodithioate|N-Methylaminodithioformic acid sodium salt|N-Methylaminomethanethionothiolic acid sodium salt|N-Methyldithiocarbamate de sodium|N-Metil-ditiocarbammato di sodio|Natrium-N-methyl-dithiocarbamaat|Natrium-N-methyl-dithiocarbamat|Nematin|NSC 3515|Sectagon II|Sepivam|Sodium metam|Sodium metham|Sodium methylcarbamodithioate|Sodium methyldithiocarbamate|Sodium monomethyldithiocarbamate|Sodium N-methylaminodithioformate|Sodium N-methylaminomet|118939-68-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029167
ARPathway2016 ARPathway2016_809 Metam-sodium 137-42-8 DTXSID2029167 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CNC([S-])=S Metam-sodium 137-42-8|Metam-sodium|Basamid-fluid|Carbam|Carbamic acid, methyldithio-, monosodium salt|Carbamic acid, methyldithio-, sodium salt|Carbamodithioic acid, methyl-, monosodium salt|Carbathion|Carbathione|Carbation|Carbothion|Diethylamino-2,6-acetoxylidide|EINECS 205-293-0|Karbation|Mapasol|Maposol|Masposol|Metam sodium|Metam-fluid Basf|Metam-natrium|metam-sodio|Metamsodium|Metham sodium|Methan-sodium|METHYL CARBAMODITHIOATE, MONOSODIUM|METHYL DITHIOCARBAMATE, SODIUM|Methylcarbamodithioic acid sodium salt|Methyldithiocarbamic acid, sodium salt|Methyldithiokarbaman sodny|Monosodium methylcarbamodithioate|N-Methylaminodithioformic acid sodium salt|N-Methylaminomethanethionothiolic acid sodium salt|N-Methyldithiocarbamate de sodium|N-Metil-ditiocarbammato di sodio|Natrium-N-methyl-dithiocarbamaat|Natrium-N-methyl-dithiocarbamat|Nematin|NSC 3515|Sectagon II|Sepivam|Sodium metam|Sodium metham|Sodium methylcarbamodithioate|Sodium methyldithiocarbamate|Sodium monomethyldithiocarbamate|Sodium N-methylaminodithioformate|Sodium N-methylaminomet|118939-68-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029167
ERPathway2016 ERPathway2016_1285 Metam-sodium 137-42-8 DTXSID2029167 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CNC([S-])=S Metam-sodium 137-42-8|Metam-sodium|Basamid-fluid|Carbam|Carbamic acid, methyldithio-, monosodium salt|Carbamic acid, methyldithio-, sodium salt|Carbamodithioic acid, methyl-, monosodium salt|Carbathion|Carbathione|Carbation|Carbothion|Diethylamino-2,6-acetoxylidide|EINECS 205-293-0|Karbation|Mapasol|Maposol|Masposol|Metam sodium|Metam-fluid Basf|Metam-natrium|metam-sodio|Metamsodium|Metham sodium|Methan-sodium|METHYL CARBAMODITHIOATE, MONOSODIUM|METHYL DITHIOCARBAMATE, SODIUM|Methylcarbamodithioic acid sodium salt|Methyldithiocarbamic acid, sodium salt|Methyldithiokarbaman sodny|Monosodium methylcarbamodithioate|N-Methylaminodithioformic acid sodium salt|N-Methylaminomethanethionothiolic acid sodium salt|N-Methyldithiocarbamate de sodium|N-Metil-ditiocarbammato di sodio|Natrium-N-methyl-dithiocarbamaat|Natrium-N-methyl-dithiocarbamat|Nematin|NSC 3515|Sectagon II|Sepivam|Sodium metam|Sodium metham|Sodium methylcarbamodithioate|Sodium methyldithiocarbamate|Sodium monomethyldithiocarbamate|Sodium N-methylaminodithioformate|Sodium N-methylaminomet|118939-68-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029167
ERPathway2016 ERPathway2016_1285 Metam-sodium 137-42-8 DTXSID2029167 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CNC([S-])=S Metam-sodium 137-42-8|Metam-sodium|Basamid-fluid|Carbam|Carbamic acid, methyldithio-, monosodium salt|Carbamic acid, methyldithio-, sodium salt|Carbamodithioic acid, methyl-, monosodium salt|Carbathion|Carbathione|Carbation|Carbothion|Diethylamino-2,6-acetoxylidide|EINECS 205-293-0|Karbation|Mapasol|Maposol|Masposol|Metam sodium|Metam-fluid Basf|Metam-natrium|metam-sodio|Metamsodium|Metham sodium|Methan-sodium|METHYL CARBAMODITHIOATE, MONOSODIUM|METHYL DITHIOCARBAMATE, SODIUM|Methylcarbamodithioic acid sodium salt|Methyldithiocarbamic acid, sodium salt|Methyldithiokarbaman sodny|Monosodium methylcarbamodithioate|N-Methylaminodithioformic acid sodium salt|N-Methylaminomethanethionothiolic acid sodium salt|N-Methyldithiocarbamate de sodium|N-Metil-ditiocarbammato di sodio|Natrium-N-methyl-dithiocarbamaat|Natrium-N-methyl-dithiocarbamat|Nematin|NSC 3515|Sectagon II|Sepivam|Sodium metam|Sodium metham|Sodium methylcarbamodithioate|Sodium methyldithiocarbamate|Sodium monomethyldithiocarbamate|Sodium N-methylaminodithioformate|Sodium N-methylaminomet|118939-68-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029167
ERPathway2016 ERPathway2016_1285 Metam-sodium 137-42-8 DTXSID2029167 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CNC([S-])=S Metam-sodium 137-42-8|Metam-sodium|Basamid-fluid|Carbam|Carbamic acid, methyldithio-, monosodium salt|Carbamic acid, methyldithio-, sodium salt|Carbamodithioic acid, methyl-, monosodium salt|Carbathion|Carbathione|Carbation|Carbothion|Diethylamino-2,6-acetoxylidide|EINECS 205-293-0|Karbation|Mapasol|Maposol|Masposol|Metam sodium|Metam-fluid Basf|Metam-natrium|metam-sodio|Metamsodium|Metham sodium|Methan-sodium|METHYL CARBAMODITHIOATE, MONOSODIUM|METHYL DITHIOCARBAMATE, SODIUM|Methylcarbamodithioic acid sodium salt|Methyldithiocarbamic acid, sodium salt|Methyldithiokarbaman sodny|Monosodium methylcarbamodithioate|N-Methylaminodithioformic acid sodium salt|N-Methylaminomethanethionothiolic acid sodium salt|N-Methyldithiocarbamate de sodium|N-Metil-ditiocarbammato di sodio|Natrium-N-methyl-dithiocarbamaat|Natrium-N-methyl-dithiocarbamat|Nematin|NSC 3515|Sectagon II|Sepivam|Sodium metam|Sodium metham|Sodium methylcarbamodithioate|Sodium methyldithiocarbamate|Sodium monomethyldithiocarbamate|Sodium N-methylaminodithioformate|Sodium N-methylaminomet|118939-68-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029167
ERPathway2016 ERPathway2016_1285 Metam-sodium 137-42-8 DTXSID2029167 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CNC([S-])=S Metam-sodium 137-42-8|Metam-sodium|Basamid-fluid|Carbam|Carbamic acid, methyldithio-, monosodium salt|Carbamic acid, methyldithio-, sodium salt|Carbamodithioic acid, methyl-, monosodium salt|Carbathion|Carbathione|Carbation|Carbothion|Diethylamino-2,6-acetoxylidide|EINECS 205-293-0|Karbation|Mapasol|Maposol|Masposol|Metam sodium|Metam-fluid Basf|Metam-natrium|metam-sodio|Metamsodium|Metham sodium|Methan-sodium|METHYL CARBAMODITHIOATE, MONOSODIUM|METHYL DITHIOCARBAMATE, SODIUM|Methylcarbamodithioic acid sodium salt|Methyldithiocarbamic acid, sodium salt|Methyldithiokarbaman sodny|Monosodium methylcarbamodithioate|N-Methylaminodithioformic acid sodium salt|N-Methylaminomethanethionothiolic acid sodium salt|N-Methyldithiocarbamate de sodium|N-Metil-ditiocarbammato di sodio|Natrium-N-methyl-dithiocarbamaat|Natrium-N-methyl-dithiocarbamat|Nematin|NSC 3515|Sectagon II|Sepivam|Sodium metam|Sodium metham|Sodium methylcarbamodithioate|Sodium methyldithiocarbamate|Sodium monomethyldithiocarbamate|Sodium N-methylaminodithioformate|Sodium N-methylaminomet|118939-68-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029167
ARPathway2016 ARPathway2016_1472 Metam-sodium hydrate 6734-80-1 DTXSID2040361 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O.O.O.[Na+].CNC([S-])=S Metam-sodium hydrate 6734-80-1|Metam-sodium hydrate|Caswell No. 780|EPA Pesticide Chemical Code 039003|Metham dihydrate|Methan-sodium dihydrate|Methyldithiokarbaman sodny dihydrat|Sodium methyldithiocarbamate dihydrate|Sodium N-methyldithiocarbamate dihydrate|Solasan|Vaporooter https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040361
ARPathway2016 ARPathway2016_1472 Metam-sodium hydrate 6734-80-1 DTXSID2040361 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O.O.O.[Na+].CNC([S-])=S Metam-sodium hydrate 6734-80-1|Metam-sodium hydrate|Caswell No. 780|EPA Pesticide Chemical Code 039003|Metham dihydrate|Methan-sodium dihydrate|Methyldithiokarbaman sodny dihydrat|Sodium methyldithiocarbamate dihydrate|Sodium N-methyldithiocarbamate dihydrate|Solasan|Vaporooter https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040361
ARPathway2016 ARPathway2016_1472 Metam-sodium hydrate 6734-80-1 DTXSID2040361 0.0 AR Pathway Model, Agonist Call Inactive Unitless O.O.O.[Na+].CNC([S-])=S Metam-sodium hydrate 6734-80-1|Metam-sodium hydrate|Caswell No. 780|EPA Pesticide Chemical Code 039003|Metham dihydrate|Methan-sodium dihydrate|Methyldithiokarbaman sodny dihydrat|Sodium methyldithiocarbamate dihydrate|Sodium N-methyldithiocarbamate dihydrate|Solasan|Vaporooter https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040361
ARPathway2016 ARPathway2016_1472 Metam-sodium hydrate 6734-80-1 DTXSID2040361 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O.O.O.[Na+].CNC([S-])=S Metam-sodium hydrate 6734-80-1|Metam-sodium hydrate|Caswell No. 780|EPA Pesticide Chemical Code 039003|Metham dihydrate|Methan-sodium dihydrate|Methyldithiokarbaman sodny dihydrat|Sodium methyldithiocarbamate dihydrate|Sodium N-methyldithiocarbamate dihydrate|Solasan|Vaporooter https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040361
ERPathway2016 ERPathway2016_1605 Metam-sodium hydrate 6734-80-1 DTXSID2040361 ER Pathway Model, Agonist Model Score 0 Unitless O.O.O.[Na+].CNC([S-])=S Metam-sodium hydrate 6734-80-1|Metam-sodium hydrate|Caswell No. 780|EPA Pesticide Chemical Code 039003|Metham dihydrate|Methan-sodium dihydrate|Methyldithiokarbaman sodny dihydrat|Sodium methyldithiocarbamate dihydrate|Sodium N-methyldithiocarbamate dihydrate|Solasan|Vaporooter https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040361
ERPathway2016 ERPathway2016_1605 Metam-sodium hydrate 6734-80-1 DTXSID2040361 ER Pathway Model, Antagonist Model Score 0 Unitless O.O.O.[Na+].CNC([S-])=S Metam-sodium hydrate 6734-80-1|Metam-sodium hydrate|Caswell No. 780|EPA Pesticide Chemical Code 039003|Metham dihydrate|Methan-sodium dihydrate|Methyldithiokarbaman sodny dihydrat|Sodium methyldithiocarbamate dihydrate|Sodium N-methyldithiocarbamate dihydrate|Solasan|Vaporooter https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040361
ERPathway2016 ERPathway2016_1605 Metam-sodium hydrate 6734-80-1 DTXSID2040361 ER Pathway Model, Agonist Call Inactive Unitless O.O.O.[Na+].CNC([S-])=S Metam-sodium hydrate 6734-80-1|Metam-sodium hydrate|Caswell No. 780|EPA Pesticide Chemical Code 039003|Metham dihydrate|Methan-sodium dihydrate|Methyldithiokarbaman sodny dihydrat|Sodium methyldithiocarbamate dihydrate|Sodium N-methyldithiocarbamate dihydrate|Solasan|Vaporooter https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040361
ERPathway2016 ERPathway2016_1605 Metam-sodium hydrate 6734-80-1 DTXSID2040361 ER Pathway Model, Antagonist Call Inactive Unitless O.O.O.[Na+].CNC([S-])=S Metam-sodium hydrate 6734-80-1|Metam-sodium hydrate|Caswell No. 780|EPA Pesticide Chemical Code 039003|Metham dihydrate|Methan-sodium dihydrate|Methyldithiokarbaman sodny dihydrat|Sodium methyldithiocarbamate dihydrate|Sodium N-methyldithiocarbamate dihydrate|Solasan|Vaporooter https://comptox.epa.gov/dashboard/chemical/details/DTXSID2040361
ARPathway2016 ARPathway2016_44 Metconazole 125116-23-6 DTXSID4034497 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 37.7671847911348 uM CC1(C)CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Metconazole 125116-23-6|Metconazole|(1RS,5RS;1RS,5SR)-5-(4-chlorobenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|4056343 (mixture of cis and trans diastereomers)|5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|BAS 555 F|Caramba|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-trizol-1-ylmethyl)-|KNF S-474M|Quash https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034497
ARPathway2016 ARPathway2016_44 Metconazole 125116-23-6 DTXSID4034497 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 31.45530445 uM CC1(C)CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Metconazole 125116-23-6|Metconazole|(1RS,5RS;1RS,5SR)-5-(4-chlorobenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|4056343 (mixture of cis and trans diastereomers)|5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|BAS 555 F|Caramba|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-trizol-1-ylmethyl)-|KNF S-474M|Quash https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034497
ARPathway2016 ARPathway2016_44 Metconazole 125116-23-6 DTXSID4034497 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.213 Unitless CC1(C)CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Metconazole 125116-23-6|Metconazole|(1RS,5RS;1RS,5SR)-5-(4-chlorobenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|4056343 (mixture of cis and trans diastereomers)|5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|BAS 555 F|Caramba|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-trizol-1-ylmethyl)-|KNF S-474M|Quash https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034497
ARPathway2016 ARPathway2016_44 Metconazole 125116-23-6 DTXSID4034497 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Metconazole 125116-23-6|Metconazole|(1RS,5RS;1RS,5SR)-5-(4-chlorobenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|4056343 (mixture of cis and trans diastereomers)|5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|BAS 555 F|Caramba|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-trizol-1-ylmethyl)-|KNF S-474M|Quash https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034497
ARPathway2016 ARPathway2016_44 Metconazole 125116-23-6 DTXSID4034497 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC1(C)CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Metconazole 125116-23-6|Metconazole|(1RS,5RS;1RS,5SR)-5-(4-chlorobenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|4056343 (mixture of cis and trans diastereomers)|5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|BAS 555 F|Caramba|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-trizol-1-ylmethyl)-|KNF S-474M|Quash https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034497
ARPathway2016 ARPathway2016_44 Metconazole 125116-23-6 DTXSID4034497 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Metconazole 125116-23-6|Metconazole|(1RS,5RS;1RS,5SR)-5-(4-chlorobenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|4056343 (mixture of cis and trans diastereomers)|5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|BAS 555 F|Caramba|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-trizol-1-ylmethyl)-|KNF S-474M|Quash https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034497
ERPathway2016 ERPathway2016_23 Metconazole 125116-23-6 DTXSID4034497 ER Pathway Model, Agonist AC50 11.7495052386777 uM CC1(C)CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Metconazole 125116-23-6|Metconazole|(1RS,5RS;1RS,5SR)-5-(4-chlorobenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|4056343 (mixture of cis and trans diastereomers)|5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|BAS 555 F|Caramba|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-trizol-1-ylmethyl)-|KNF S-474M|Quash https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034497
ERPathway2016 ERPathway2016_23 Metconazole 125116-23-6 DTXSID4034497 ER Pathway Model, Agonist ACC 11.1532933305859 uM CC1(C)CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Metconazole 125116-23-6|Metconazole|(1RS,5RS;1RS,5SR)-5-(4-chlorobenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|4056343 (mixture of cis and trans diastereomers)|5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|BAS 555 F|Caramba|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-trizol-1-ylmethyl)-|KNF S-474M|Quash https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034497
ERPathway2016 ERPathway2016_23 Metconazole 125116-23-6 DTXSID4034497 ER Pathway Model, Agonist Model Score 0.0105 Unitless CC1(C)CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Metconazole 125116-23-6|Metconazole|(1RS,5RS;1RS,5SR)-5-(4-chlorobenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|4056343 (mixture of cis and trans diastereomers)|5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|BAS 555 F|Caramba|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-trizol-1-ylmethyl)-|KNF S-474M|Quash https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034497
ERPathway2016 ERPathway2016_23 Metconazole 125116-23-6 DTXSID4034497 ER Pathway Model, Antagonist Model Score 0.0316 Unitless CC1(C)CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Metconazole 125116-23-6|Metconazole|(1RS,5RS;1RS,5SR)-5-(4-chlorobenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|4056343 (mixture of cis and trans diastereomers)|5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|BAS 555 F|Caramba|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-trizol-1-ylmethyl)-|KNF S-474M|Quash https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034497
ERPathway2016 ERPathway2016_23 Metconazole 125116-23-6 DTXSID4034497 ER Pathway Model, Agonist Call Active Unitless CC1(C)CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Metconazole 125116-23-6|Metconazole|(1RS,5RS;1RS,5SR)-5-(4-chlorobenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|4056343 (mixture of cis and trans diastereomers)|5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|BAS 555 F|Caramba|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-trizol-1-ylmethyl)-|KNF S-474M|Quash https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034497
ERPathway2016 ERPathway2016_23 Metconazole 125116-23-6 DTXSID4034497 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Metconazole 125116-23-6|Metconazole|(1RS,5RS;1RS,5SR)-5-(4-chlorobenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|4056343 (mixture of cis and trans diastereomers)|5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|BAS 555 F|Caramba|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-trizol-1-ylmethyl)-|KNF S-474M|Quash https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034497
ARPathway2016 ARPathway2016_1587 Methacrylamide 79-39-0 DTXSID8029600 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=C)C(N)=O Methacrylamide 79-39-0|Methacrylamide|2-Methyl-2-propenamide|2-Methylacrylamide|2-Methylprop-2-enamide|2-Methylpropenamide|2-propenamida, 2-metil|2-Propenamide, 2-methyl-|alpha-Methyl acrylic amide|Amid kyseliny methakrylove|BRN 0605397|Caswell No. 549|EINECS 201-202-3|EPA Pesticide Chemical Code 052901|metacrilamida|Methacryamide|Methacrylamid|Methacrylic acid amide|Methacrylic amide|Methylacrylic amide|Mhoromer BM801|NSC 23772|NSC 24147|PROP-2-ENAMIDE, 2-METHYL-|UNII-K67NG89J77 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029600 https://doi.org/10.22427/NTP-DATA-DTXSID8029600
ARPathway2016 ARPathway2016_1587 Methacrylamide 79-39-0 DTXSID8029600 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=C)C(N)=O Methacrylamide 79-39-0|Methacrylamide|2-Methyl-2-propenamide|2-Methylacrylamide|2-Methylprop-2-enamide|2-Methylpropenamide|2-propenamida, 2-metil|2-Propenamide, 2-methyl-|alpha-Methyl acrylic amide|Amid kyseliny methakrylove|BRN 0605397|Caswell No. 549|EINECS 201-202-3|EPA Pesticide Chemical Code 052901|metacrilamida|Methacryamide|Methacrylamid|Methacrylic acid amide|Methacrylic amide|Methylacrylic amide|Mhoromer BM801|NSC 23772|NSC 24147|PROP-2-ENAMIDE, 2-METHYL-|UNII-K67NG89J77 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029600 https://doi.org/10.22427/NTP-DATA-DTXSID8029600
ARPathway2016 ARPathway2016_1587 Methacrylamide 79-39-0 DTXSID8029600 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=C)C(N)=O Methacrylamide 79-39-0|Methacrylamide|2-Methyl-2-propenamide|2-Methylacrylamide|2-Methylprop-2-enamide|2-Methylpropenamide|2-propenamida, 2-metil|2-Propenamide, 2-methyl-|alpha-Methyl acrylic amide|Amid kyseliny methakrylove|BRN 0605397|Caswell No. 549|EINECS 201-202-3|EPA Pesticide Chemical Code 052901|metacrilamida|Methacryamide|Methacrylamid|Methacrylic acid amide|Methacrylic amide|Methylacrylic amide|Mhoromer BM801|NSC 23772|NSC 24147|PROP-2-ENAMIDE, 2-METHYL-|UNII-K67NG89J77 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029600 https://doi.org/10.22427/NTP-DATA-DTXSID8029600
ARPathway2016 ARPathway2016_1587 Methacrylamide 79-39-0 DTXSID8029600 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=C)C(N)=O Methacrylamide 79-39-0|Methacrylamide|2-Methyl-2-propenamide|2-Methylacrylamide|2-Methylprop-2-enamide|2-Methylpropenamide|2-propenamida, 2-metil|2-Propenamide, 2-methyl-|alpha-Methyl acrylic amide|Amid kyseliny methakrylove|BRN 0605397|Caswell No. 549|EINECS 201-202-3|EPA Pesticide Chemical Code 052901|metacrilamida|Methacryamide|Methacrylamid|Methacrylic acid amide|Methacrylic amide|Methylacrylic amide|Mhoromer BM801|NSC 23772|NSC 24147|PROP-2-ENAMIDE, 2-METHYL-|UNII-K67NG89J77 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029600 https://doi.org/10.22427/NTP-DATA-DTXSID8029600
ERPathway2016 ERPathway2016_1673 Methacrylamide 79-39-0 DTXSID8029600 ER Pathway Model, Agonist Model Score 0 Unitless CC(=C)C(N)=O Methacrylamide 79-39-0|Methacrylamide|2-Methyl-2-propenamide|2-Methylacrylamide|2-Methylprop-2-enamide|2-Methylpropenamide|2-propenamida, 2-metil|2-Propenamide, 2-methyl-|alpha-Methyl acrylic amide|Amid kyseliny methakrylove|BRN 0605397|Caswell No. 549|EINECS 201-202-3|EPA Pesticide Chemical Code 052901|metacrilamida|Methacryamide|Methacrylamid|Methacrylic acid amide|Methacrylic amide|Methylacrylic amide|Mhoromer BM801|NSC 23772|NSC 24147|PROP-2-ENAMIDE, 2-METHYL-|UNII-K67NG89J77 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029600 https://doi.org/10.22427/NTP-DATA-DTXSID8029600
ERPathway2016 ERPathway2016_1673 Methacrylamide 79-39-0 DTXSID8029600 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=C)C(N)=O Methacrylamide 79-39-0|Methacrylamide|2-Methyl-2-propenamide|2-Methylacrylamide|2-Methylprop-2-enamide|2-Methylpropenamide|2-propenamida, 2-metil|2-Propenamide, 2-methyl-|alpha-Methyl acrylic amide|Amid kyseliny methakrylove|BRN 0605397|Caswell No. 549|EINECS 201-202-3|EPA Pesticide Chemical Code 052901|metacrilamida|Methacryamide|Methacrylamid|Methacrylic acid amide|Methacrylic amide|Methylacrylic amide|Mhoromer BM801|NSC 23772|NSC 24147|PROP-2-ENAMIDE, 2-METHYL-|UNII-K67NG89J77 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029600 https://doi.org/10.22427/NTP-DATA-DTXSID8029600
ERPathway2016 ERPathway2016_1673 Methacrylamide 79-39-0 DTXSID8029600 ER Pathway Model, Agonist Call Inactive Unitless CC(=C)C(N)=O Methacrylamide 79-39-0|Methacrylamide|2-Methyl-2-propenamide|2-Methylacrylamide|2-Methylprop-2-enamide|2-Methylpropenamide|2-propenamida, 2-metil|2-Propenamide, 2-methyl-|alpha-Methyl acrylic amide|Amid kyseliny methakrylove|BRN 0605397|Caswell No. 549|EINECS 201-202-3|EPA Pesticide Chemical Code 052901|metacrilamida|Methacryamide|Methacrylamid|Methacrylic acid amide|Methacrylic amide|Methylacrylic amide|Mhoromer BM801|NSC 23772|NSC 24147|PROP-2-ENAMIDE, 2-METHYL-|UNII-K67NG89J77 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029600 https://doi.org/10.22427/NTP-DATA-DTXSID8029600
ERPathway2016 ERPathway2016_1673 Methacrylamide 79-39-0 DTXSID8029600 ER Pathway Model, Antagonist Call Inactive Unitless CC(=C)C(N)=O Methacrylamide 79-39-0|Methacrylamide|2-Methyl-2-propenamide|2-Methylacrylamide|2-Methylprop-2-enamide|2-Methylpropenamide|2-propenamida, 2-metil|2-Propenamide, 2-methyl-|alpha-Methyl acrylic amide|Amid kyseliny methakrylove|BRN 0605397|Caswell No. 549|EINECS 201-202-3|EPA Pesticide Chemical Code 052901|metacrilamida|Methacryamide|Methacrylamid|Methacrylic acid amide|Methacrylic amide|Methylacrylic amide|Mhoromer BM801|NSC 23772|NSC 24147|PROP-2-ENAMIDE, 2-METHYL-|UNII-K67NG89J77 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8029600 https://doi.org/10.22427/NTP-DATA-DTXSID8029600
ARPathway2016 ARPathway2016_752 Methacrylonitrile 126-98-7 DTXSID1024176 1.0 A9 AR Pathway Model, Agonist Model Score 0 Unitless CC(=C)C#N Methacrylonitrile 126-98-7|Methacrylonitrile|1-Methylethenyl cyanide|2-Cyano-1-propene|2-Cyanopropene|2-Cyanopropene-1|2-Methyl-2-propenenitrile|2-Methylacrylonitrile|2-Methylpropenenitrile|2-Propenenitrile, 2-methyl-|EINECS 204-817-5|Isobutenenitrile|Isopropene cyanide|Isopropenylnitrile|metacrilonitrilo|METHACRYLNITRIL|Methacrylnitrile|Methacrylonitril|Methylacrylonitrile|NSC 24145|PROP-2-ENENITRILE, 2-METHYL-|RCRA waste number U152|UN 3079|UNII-04S4K38612|a-Methacrylonitrile|a-Methylacrylonitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024176 https://doi.org/10.22427/NTP-DATA-DTXSID1024176
ARPathway2016 ARPathway2016_752 Methacrylonitrile 126-98-7 DTXSID1024176 1.0 A9 AR Pathway Model, Agonist Call Inactive Unitless CC(=C)C#N Methacrylonitrile 126-98-7|Methacrylonitrile|1-Methylethenyl cyanide|2-Cyano-1-propene|2-Cyanopropene|2-Cyanopropene-1|2-Methyl-2-propenenitrile|2-Methylacrylonitrile|2-Methylpropenenitrile|2-Propenenitrile, 2-methyl-|EINECS 204-817-5|Isobutenenitrile|Isopropene cyanide|Isopropenylnitrile|metacrilonitrilo|METHACRYLNITRIL|Methacrylnitrile|Methacrylonitril|Methylacrylonitrile|NSC 24145|PROP-2-ENENITRILE, 2-METHYL-|RCRA waste number U152|UN 3079|UNII-04S4K38612|a-Methacrylonitrile|a-Methylacrylonitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024176 https://doi.org/10.22427/NTP-DATA-DTXSID1024176
ARPathway2016 ARPathway2016_752 Methacrylonitrile 126-98-7 DTXSID1024176 1.0 A9 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=C)C#N Methacrylonitrile 126-98-7|Methacrylonitrile|1-Methylethenyl cyanide|2-Cyano-1-propene|2-Cyanopropene|2-Cyanopropene-1|2-Methyl-2-propenenitrile|2-Methylacrylonitrile|2-Methylpropenenitrile|2-Propenenitrile, 2-methyl-|EINECS 204-817-5|Isobutenenitrile|Isopropene cyanide|Isopropenylnitrile|metacrilonitrilo|METHACRYLNITRIL|Methacrylnitrile|Methacrylonitril|Methylacrylonitrile|NSC 24145|PROP-2-ENENITRILE, 2-METHYL-|RCRA waste number U152|UN 3079|UNII-04S4K38612|a-Methacrylonitrile|a-Methylacrylonitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024176 https://doi.org/10.22427/NTP-DATA-DTXSID1024176
ARPathway2016 ARPathway2016_752 Methacrylonitrile 126-98-7 DTXSID1024176 1.0 A9 AR Pathway Model, Antagonist Call Inactive Unitless CC(=C)C#N Methacrylonitrile 126-98-7|Methacrylonitrile|1-Methylethenyl cyanide|2-Cyano-1-propene|2-Cyanopropene|2-Cyanopropene-1|2-Methyl-2-propenenitrile|2-Methylacrylonitrile|2-Methylpropenenitrile|2-Propenenitrile, 2-methyl-|EINECS 204-817-5|Isobutenenitrile|Isopropene cyanide|Isopropenylnitrile|metacrilonitrilo|METHACRYLNITRIL|Methacrylnitrile|Methacrylonitril|Methylacrylonitrile|NSC 24145|PROP-2-ENENITRILE, 2-METHYL-|RCRA waste number U152|UN 3079|UNII-04S4K38612|a-Methacrylonitrile|a-Methylacrylonitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024176 https://doi.org/10.22427/NTP-DATA-DTXSID1024176
ERPathway2016 ERPathway2016_1259 Methacrylonitrile 126-98-7 DTXSID1024176 ER Pathway Model, Agonist Model Score 0 Unitless CC(=C)C#N Methacrylonitrile 126-98-7|Methacrylonitrile|1-Methylethenyl cyanide|2-Cyano-1-propene|2-Cyanopropene|2-Cyanopropene-1|2-Methyl-2-propenenitrile|2-Methylacrylonitrile|2-Methylpropenenitrile|2-Propenenitrile, 2-methyl-|EINECS 204-817-5|Isobutenenitrile|Isopropene cyanide|Isopropenylnitrile|metacrilonitrilo|METHACRYLNITRIL|Methacrylnitrile|Methacrylonitril|Methylacrylonitrile|NSC 24145|PROP-2-ENENITRILE, 2-METHYL-|RCRA waste number U152|UN 3079|UNII-04S4K38612|a-Methacrylonitrile|a-Methylacrylonitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024176 https://doi.org/10.22427/NTP-DATA-DTXSID1024176
ERPathway2016 ERPathway2016_1259 Methacrylonitrile 126-98-7 DTXSID1024176 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=C)C#N Methacrylonitrile 126-98-7|Methacrylonitrile|1-Methylethenyl cyanide|2-Cyano-1-propene|2-Cyanopropene|2-Cyanopropene-1|2-Methyl-2-propenenitrile|2-Methylacrylonitrile|2-Methylpropenenitrile|2-Propenenitrile, 2-methyl-|EINECS 204-817-5|Isobutenenitrile|Isopropene cyanide|Isopropenylnitrile|metacrilonitrilo|METHACRYLNITRIL|Methacrylnitrile|Methacrylonitril|Methylacrylonitrile|NSC 24145|PROP-2-ENENITRILE, 2-METHYL-|RCRA waste number U152|UN 3079|UNII-04S4K38612|a-Methacrylonitrile|a-Methylacrylonitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024176 https://doi.org/10.22427/NTP-DATA-DTXSID1024176
ERPathway2016 ERPathway2016_1259 Methacrylonitrile 126-98-7 DTXSID1024176 ER Pathway Model, Agonist Call Inactive Unitless CC(=C)C#N Methacrylonitrile 126-98-7|Methacrylonitrile|1-Methylethenyl cyanide|2-Cyano-1-propene|2-Cyanopropene|2-Cyanopropene-1|2-Methyl-2-propenenitrile|2-Methylacrylonitrile|2-Methylpropenenitrile|2-Propenenitrile, 2-methyl-|EINECS 204-817-5|Isobutenenitrile|Isopropene cyanide|Isopropenylnitrile|metacrilonitrilo|METHACRYLNITRIL|Methacrylnitrile|Methacrylonitril|Methylacrylonitrile|NSC 24145|PROP-2-ENENITRILE, 2-METHYL-|RCRA waste number U152|UN 3079|UNII-04S4K38612|a-Methacrylonitrile|a-Methylacrylonitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024176 https://doi.org/10.22427/NTP-DATA-DTXSID1024176
ERPathway2016 ERPathway2016_1259 Methacrylonitrile 126-98-7 DTXSID1024176 ER Pathway Model, Antagonist Call Inactive Unitless CC(=C)C#N Methacrylonitrile 126-98-7|Methacrylonitrile|1-Methylethenyl cyanide|2-Cyano-1-propene|2-Cyanopropene|2-Cyanopropene-1|2-Methyl-2-propenenitrile|2-Methylacrylonitrile|2-Methylpropenenitrile|2-Propenenitrile, 2-methyl-|EINECS 204-817-5|Isobutenenitrile|Isopropene cyanide|Isopropenylnitrile|metacrilonitrilo|METHACRYLNITRIL|Methacrylnitrile|Methacrylonitril|Methylacrylonitrile|NSC 24145|PROP-2-ENENITRILE, 2-METHYL-|RCRA waste number U152|UN 3079|UNII-04S4K38612|a-Methacrylonitrile|a-Methylacrylonitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024176 https://doi.org/10.22427/NTP-DATA-DTXSID1024176
ARPathway2016 ARPathway2016_531 Methadone hydrochloride 1095-90-5 DTXSID2020501 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 Methadone hydrochloride 1095-90-5|Methadone hydrochloride|(+-)-Methadone hydrochloride|(+-)-Tussal|4,4-Diphenyl-6-dimethylamino-3-heptanone hydrochloride|6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride|6-Dimethylamino-4,4-diphenyl-3-heptanone.HCl|Algidon|Algolysin|Althose hydrochloride|Butalgin|Depridol|Diaminon hydrochloride|Diskets dispersible|dl-6-Dimethylamino-4,4-diphenyl-3-heptanone hydrochloride|DL-Methadone hydrochloride|Dolofin hydrochloride|Dolohepton|Dolophine hydrochloride|EINECS 214-140-7|Fenadon|Fenadone|Ketalgin hydrochloride|Mecodin|Methadone HCl|Methadone hydrochloride intensol|Methadose|Methadose Oral Concentrate|Methadose Sugar-Free Oral|Miadone|Moheptan|NSC 19600|Phenadone hydrochloride|Polamidon|Racemic methadone hydrochloride|UNII-229809935B|Westadone https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020501 https://doi.org/10.22427/NTP-DATA-DTXSID2020501
ARPathway2016 ARPathway2016_531 Methadone hydrochloride 1095-90-5 DTXSID2020501 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cl.CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 Methadone hydrochloride 1095-90-5|Methadone hydrochloride|(+-)-Methadone hydrochloride|(+-)-Tussal|4,4-Diphenyl-6-dimethylamino-3-heptanone hydrochloride|6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride|6-Dimethylamino-4,4-diphenyl-3-heptanone.HCl|Algidon|Algolysin|Althose hydrochloride|Butalgin|Depridol|Diaminon hydrochloride|Diskets dispersible|dl-6-Dimethylamino-4,4-diphenyl-3-heptanone hydrochloride|DL-Methadone hydrochloride|Dolofin hydrochloride|Dolohepton|Dolophine hydrochloride|EINECS 214-140-7|Fenadon|Fenadone|Ketalgin hydrochloride|Mecodin|Methadone HCl|Methadone hydrochloride intensol|Methadose|Methadose Oral Concentrate|Methadose Sugar-Free Oral|Miadone|Moheptan|NSC 19600|Phenadone hydrochloride|Polamidon|Racemic methadone hydrochloride|UNII-229809935B|Westadone https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020501 https://doi.org/10.22427/NTP-DATA-DTXSID2020501
ARPathway2016 ARPathway2016_531 Methadone hydrochloride 1095-90-5 DTXSID2020501 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cl.CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 Methadone hydrochloride 1095-90-5|Methadone hydrochloride|(+-)-Methadone hydrochloride|(+-)-Tussal|4,4-Diphenyl-6-dimethylamino-3-heptanone hydrochloride|6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride|6-Dimethylamino-4,4-diphenyl-3-heptanone.HCl|Algidon|Algolysin|Althose hydrochloride|Butalgin|Depridol|Diaminon hydrochloride|Diskets dispersible|dl-6-Dimethylamino-4,4-diphenyl-3-heptanone hydrochloride|DL-Methadone hydrochloride|Dolofin hydrochloride|Dolohepton|Dolophine hydrochloride|EINECS 214-140-7|Fenadon|Fenadone|Ketalgin hydrochloride|Mecodin|Methadone HCl|Methadone hydrochloride intensol|Methadose|Methadose Oral Concentrate|Methadose Sugar-Free Oral|Miadone|Moheptan|NSC 19600|Phenadone hydrochloride|Polamidon|Racemic methadone hydrochloride|UNII-229809935B|Westadone https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020501 https://doi.org/10.22427/NTP-DATA-DTXSID2020501
ARPathway2016 ARPathway2016_531 Methadone hydrochloride 1095-90-5 DTXSID2020501 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cl.CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 Methadone hydrochloride 1095-90-5|Methadone hydrochloride|(+-)-Methadone hydrochloride|(+-)-Tussal|4,4-Diphenyl-6-dimethylamino-3-heptanone hydrochloride|6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride|6-Dimethylamino-4,4-diphenyl-3-heptanone.HCl|Algidon|Algolysin|Althose hydrochloride|Butalgin|Depridol|Diaminon hydrochloride|Diskets dispersible|dl-6-Dimethylamino-4,4-diphenyl-3-heptanone hydrochloride|DL-Methadone hydrochloride|Dolofin hydrochloride|Dolohepton|Dolophine hydrochloride|EINECS 214-140-7|Fenadon|Fenadone|Ketalgin hydrochloride|Mecodin|Methadone HCl|Methadone hydrochloride intensol|Methadose|Methadose Oral Concentrate|Methadose Sugar-Free Oral|Miadone|Moheptan|NSC 19600|Phenadone hydrochloride|Polamidon|Racemic methadone hydrochloride|UNII-229809935B|Westadone https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020501 https://doi.org/10.22427/NTP-DATA-DTXSID2020501
ERPathway2016 ERPathway2016_1126 Methadone hydrochloride 1095-90-5 DTXSID2020501 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 Methadone hydrochloride 1095-90-5|Methadone hydrochloride|(+-)-Methadone hydrochloride|(+-)-Tussal|4,4-Diphenyl-6-dimethylamino-3-heptanone hydrochloride|6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride|6-Dimethylamino-4,4-diphenyl-3-heptanone.HCl|Algidon|Algolysin|Althose hydrochloride|Butalgin|Depridol|Diaminon hydrochloride|Diskets dispersible|dl-6-Dimethylamino-4,4-diphenyl-3-heptanone hydrochloride|DL-Methadone hydrochloride|Dolofin hydrochloride|Dolohepton|Dolophine hydrochloride|EINECS 214-140-7|Fenadon|Fenadone|Ketalgin hydrochloride|Mecodin|Methadone HCl|Methadone hydrochloride intensol|Methadose|Methadose Oral Concentrate|Methadose Sugar-Free Oral|Miadone|Moheptan|NSC 19600|Phenadone hydrochloride|Polamidon|Racemic methadone hydrochloride|UNII-229809935B|Westadone https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020501 https://doi.org/10.22427/NTP-DATA-DTXSID2020501
ERPathway2016 ERPathway2016_1126 Methadone hydrochloride 1095-90-5 DTXSID2020501 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 Methadone hydrochloride 1095-90-5|Methadone hydrochloride|(+-)-Methadone hydrochloride|(+-)-Tussal|4,4-Diphenyl-6-dimethylamino-3-heptanone hydrochloride|6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride|6-Dimethylamino-4,4-diphenyl-3-heptanone.HCl|Algidon|Algolysin|Althose hydrochloride|Butalgin|Depridol|Diaminon hydrochloride|Diskets dispersible|dl-6-Dimethylamino-4,4-diphenyl-3-heptanone hydrochloride|DL-Methadone hydrochloride|Dolofin hydrochloride|Dolohepton|Dolophine hydrochloride|EINECS 214-140-7|Fenadon|Fenadone|Ketalgin hydrochloride|Mecodin|Methadone HCl|Methadone hydrochloride intensol|Methadose|Methadose Oral Concentrate|Methadose Sugar-Free Oral|Miadone|Moheptan|NSC 19600|Phenadone hydrochloride|Polamidon|Racemic methadone hydrochloride|UNII-229809935B|Westadone https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020501 https://doi.org/10.22427/NTP-DATA-DTXSID2020501
ERPathway2016 ERPathway2016_1126 Methadone hydrochloride 1095-90-5 DTXSID2020501 ER Pathway Model, Agonist Call Inactive Unitless Cl.CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 Methadone hydrochloride 1095-90-5|Methadone hydrochloride|(+-)-Methadone hydrochloride|(+-)-Tussal|4,4-Diphenyl-6-dimethylamino-3-heptanone hydrochloride|6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride|6-Dimethylamino-4,4-diphenyl-3-heptanone.HCl|Algidon|Algolysin|Althose hydrochloride|Butalgin|Depridol|Diaminon hydrochloride|Diskets dispersible|dl-6-Dimethylamino-4,4-diphenyl-3-heptanone hydrochloride|DL-Methadone hydrochloride|Dolofin hydrochloride|Dolohepton|Dolophine hydrochloride|EINECS 214-140-7|Fenadon|Fenadone|Ketalgin hydrochloride|Mecodin|Methadone HCl|Methadone hydrochloride intensol|Methadose|Methadose Oral Concentrate|Methadose Sugar-Free Oral|Miadone|Moheptan|NSC 19600|Phenadone hydrochloride|Polamidon|Racemic methadone hydrochloride|UNII-229809935B|Westadone https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020501 https://doi.org/10.22427/NTP-DATA-DTXSID2020501
ERPathway2016 ERPathway2016_1126 Methadone hydrochloride 1095-90-5 DTXSID2020501 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 Methadone hydrochloride 1095-90-5|Methadone hydrochloride|(+-)-Methadone hydrochloride|(+-)-Tussal|4,4-Diphenyl-6-dimethylamino-3-heptanone hydrochloride|6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride|6-Dimethylamino-4,4-diphenyl-3-heptanone.HCl|Algidon|Algolysin|Althose hydrochloride|Butalgin|Depridol|Diaminon hydrochloride|Diskets dispersible|dl-6-Dimethylamino-4,4-diphenyl-3-heptanone hydrochloride|DL-Methadone hydrochloride|Dolofin hydrochloride|Dolohepton|Dolophine hydrochloride|EINECS 214-140-7|Fenadon|Fenadone|Ketalgin hydrochloride|Mecodin|Methadone HCl|Methadone hydrochloride intensol|Methadose|Methadose Oral Concentrate|Methadose Sugar-Free Oral|Miadone|Moheptan|NSC 19600|Phenadone hydrochloride|Polamidon|Racemic methadone hydrochloride|UNII-229809935B|Westadone https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020501 https://doi.org/10.22427/NTP-DATA-DTXSID2020501
ARPathway2016 ARPathway2016_425 Methamidophos 10265-92-6 DTXSID6024177 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COP(N)(=O)SC Methamidophos 10265-92-6|Methamidophos|Acephate-met|BRN 1098870|Caswell No. 378A|Chevron 9006|Chevron ortho 9006|EINECS 233-606-0|EPA Pesticide Chemical Code 101201|Filitox|Hamidop|metamidofos|Metamidofos estrella|Metamidophos|Methyl phosphoramidothioate|Methyl phosphoramidothioate ((MeO)(MeS)P(O)(NH2))|Monitor|Nitofol|NSC 190987|O,S-dimethyl amidothiophosphate|O,S-Dimethyl phosphoramidothioate|O,S-Dimethyl phosphoramidothiolate|O,S-Dimethyl thiophosphoramide|Ortho Monitor|Patrole|Phosphoramidothioic acid, O,S-dimethyl ester|Pillaron|Sundaphos|Tahmabon|Tamanox|Tamaron|Thiophosphorsaeure-O,S-dimethylesteramid|UNII-8Z083FM94W|115182-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024177
ARPathway2016 ARPathway2016_425 Methamidophos 10265-92-6 DTXSID6024177 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COP(N)(=O)SC Methamidophos 10265-92-6|Methamidophos|Acephate-met|BRN 1098870|Caswell No. 378A|Chevron 9006|Chevron ortho 9006|EINECS 233-606-0|EPA Pesticide Chemical Code 101201|Filitox|Hamidop|metamidofos|Metamidofos estrella|Metamidophos|Methyl phosphoramidothioate|Methyl phosphoramidothioate ((MeO)(MeS)P(O)(NH2))|Monitor|Nitofol|NSC 190987|O,S-dimethyl amidothiophosphate|O,S-Dimethyl phosphoramidothioate|O,S-Dimethyl phosphoramidothiolate|O,S-Dimethyl thiophosphoramide|Ortho Monitor|Patrole|Phosphoramidothioic acid, O,S-dimethyl ester|Pillaron|Sundaphos|Tahmabon|Tamanox|Tamaron|Thiophosphorsaeure-O,S-dimethylesteramid|UNII-8Z083FM94W|115182-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024177
ARPathway2016 ARPathway2016_425 Methamidophos 10265-92-6 DTXSID6024177 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COP(N)(=O)SC Methamidophos 10265-92-6|Methamidophos|Acephate-met|BRN 1098870|Caswell No. 378A|Chevron 9006|Chevron ortho 9006|EINECS 233-606-0|EPA Pesticide Chemical Code 101201|Filitox|Hamidop|metamidofos|Metamidofos estrella|Metamidophos|Methyl phosphoramidothioate|Methyl phosphoramidothioate ((MeO)(MeS)P(O)(NH2))|Monitor|Nitofol|NSC 190987|O,S-dimethyl amidothiophosphate|O,S-Dimethyl phosphoramidothioate|O,S-Dimethyl phosphoramidothiolate|O,S-Dimethyl thiophosphoramide|Ortho Monitor|Patrole|Phosphoramidothioic acid, O,S-dimethyl ester|Pillaron|Sundaphos|Tahmabon|Tamanox|Tamaron|Thiophosphorsaeure-O,S-dimethylesteramid|UNII-8Z083FM94W|115182-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024177
ARPathway2016 ARPathway2016_425 Methamidophos 10265-92-6 DTXSID6024177 0.0 AR Pathway Model, Agonist Call Inactive Unitless COP(N)(=O)SC Methamidophos 10265-92-6|Methamidophos|Acephate-met|BRN 1098870|Caswell No. 378A|Chevron 9006|Chevron ortho 9006|EINECS 233-606-0|EPA Pesticide Chemical Code 101201|Filitox|Hamidop|metamidofos|Metamidofos estrella|Metamidophos|Methyl phosphoramidothioate|Methyl phosphoramidothioate ((MeO)(MeS)P(O)(NH2))|Monitor|Nitofol|NSC 190987|O,S-dimethyl amidothiophosphate|O,S-Dimethyl phosphoramidothioate|O,S-Dimethyl phosphoramidothiolate|O,S-Dimethyl thiophosphoramide|Ortho Monitor|Patrole|Phosphoramidothioic acid, O,S-dimethyl ester|Pillaron|Sundaphos|Tahmabon|Tamanox|Tamaron|Thiophosphorsaeure-O,S-dimethylesteramid|UNII-8Z083FM94W|115182-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024177
ERPathway2016 ERPathway2016_1066 Methamidophos 10265-92-6 DTXSID6024177 ER Pathway Model, Agonist Model Score 0 Unitless COP(N)(=O)SC Methamidophos 10265-92-6|Methamidophos|Acephate-met|BRN 1098870|Caswell No. 378A|Chevron 9006|Chevron ortho 9006|EINECS 233-606-0|EPA Pesticide Chemical Code 101201|Filitox|Hamidop|metamidofos|Metamidofos estrella|Metamidophos|Methyl phosphoramidothioate|Methyl phosphoramidothioate ((MeO)(MeS)P(O)(NH2))|Monitor|Nitofol|NSC 190987|O,S-dimethyl amidothiophosphate|O,S-Dimethyl phosphoramidothioate|O,S-Dimethyl phosphoramidothiolate|O,S-Dimethyl thiophosphoramide|Ortho Monitor|Patrole|Phosphoramidothioic acid, O,S-dimethyl ester|Pillaron|Sundaphos|Tahmabon|Tamanox|Tamaron|Thiophosphorsaeure-O,S-dimethylesteramid|UNII-8Z083FM94W|115182-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024177
ERPathway2016 ERPathway2016_1066 Methamidophos 10265-92-6 DTXSID6024177 ER Pathway Model, Antagonist Model Score 0 Unitless COP(N)(=O)SC Methamidophos 10265-92-6|Methamidophos|Acephate-met|BRN 1098870|Caswell No. 378A|Chevron 9006|Chevron ortho 9006|EINECS 233-606-0|EPA Pesticide Chemical Code 101201|Filitox|Hamidop|metamidofos|Metamidofos estrella|Metamidophos|Methyl phosphoramidothioate|Methyl phosphoramidothioate ((MeO)(MeS)P(O)(NH2))|Monitor|Nitofol|NSC 190987|O,S-dimethyl amidothiophosphate|O,S-Dimethyl phosphoramidothioate|O,S-Dimethyl phosphoramidothiolate|O,S-Dimethyl thiophosphoramide|Ortho Monitor|Patrole|Phosphoramidothioic acid, O,S-dimethyl ester|Pillaron|Sundaphos|Tahmabon|Tamanox|Tamaron|Thiophosphorsaeure-O,S-dimethylesteramid|UNII-8Z083FM94W|115182-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024177
ERPathway2016 ERPathway2016_1066 Methamidophos 10265-92-6 DTXSID6024177 ER Pathway Model, Agonist Call Inactive Unitless COP(N)(=O)SC Methamidophos 10265-92-6|Methamidophos|Acephate-met|BRN 1098870|Caswell No. 378A|Chevron 9006|Chevron ortho 9006|EINECS 233-606-0|EPA Pesticide Chemical Code 101201|Filitox|Hamidop|metamidofos|Metamidofos estrella|Metamidophos|Methyl phosphoramidothioate|Methyl phosphoramidothioate ((MeO)(MeS)P(O)(NH2))|Monitor|Nitofol|NSC 190987|O,S-dimethyl amidothiophosphate|O,S-Dimethyl phosphoramidothioate|O,S-Dimethyl phosphoramidothiolate|O,S-Dimethyl thiophosphoramide|Ortho Monitor|Patrole|Phosphoramidothioic acid, O,S-dimethyl ester|Pillaron|Sundaphos|Tahmabon|Tamanox|Tamaron|Thiophosphorsaeure-O,S-dimethylesteramid|UNII-8Z083FM94W|115182-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024177
ERPathway2016 ERPathway2016_1066 Methamidophos 10265-92-6 DTXSID6024177 ER Pathway Model, Antagonist Call Inactive Unitless COP(N)(=O)SC Methamidophos 10265-92-6|Methamidophos|Acephate-met|BRN 1098870|Caswell No. 378A|Chevron 9006|Chevron ortho 9006|EINECS 233-606-0|EPA Pesticide Chemical Code 101201|Filitox|Hamidop|metamidofos|Metamidofos estrella|Metamidophos|Methyl phosphoramidothioate|Methyl phosphoramidothioate ((MeO)(MeS)P(O)(NH2))|Monitor|Nitofol|NSC 190987|O,S-dimethyl amidothiophosphate|O,S-Dimethyl phosphoramidothioate|O,S-Dimethyl phosphoramidothiolate|O,S-Dimethyl thiophosphoramide|Ortho Monitor|Patrole|Phosphoramidothioic acid, O,S-dimethyl ester|Pillaron|Sundaphos|Tahmabon|Tamanox|Tamaron|Thiophosphorsaeure-O,S-dimethylesteramid|UNII-8Z083FM94W|115182-35-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024177
ARPathway2016 ARPathway2016_406 Methenamine 100-97-0 DTXSID6020692 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1N2CN3CN1CN(C2)C3 Methenamine 100-97-0|Methenamine|1,3,5,7-Tetraazaadamantane|1,3,5,7-Tetraazatricyclo (3.3.1.1(3,7))decane|1,3,5,7-Tetraazatricyclo(3.3.1.1(sup 37))decane|1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane|1,3,5,7-Tetraazatricyclo[3.3.1.13-l]decane|1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane|1,3,5,7-Tetraazatricyclo[3.3.13,7]decane|1,3,5,7,-Tetraazatricyclo[3.3.1.13,7]decane|Aceto HMT|Aminoform|Aminoformaldehyde|Ammoform|Ammonioformaldehyde|Antihydral|Caswell No. 482|Cystamin|Cystogen|Duirexol|EINECS 202-905-8|Ekagom H|EPA Pesticide Chemical Code 045501|Esametilentetramina|Formamine|Herax UTS|Heterin|Hexa-Flo-Pulver|Hexaform|Hexaloids|Hexamethlenetetramine|Hexamethylenamine|hexamethylene tetramine|Hexamethylenetetraamine|Hexamethylenetetramine|Hexamethylenetetraminum|HEXAMETHYLENTETRAMIN|Hexamethylentetramine|hexamethylentetraminum|Hexamethylyene tetraamine|HEXAMINE|hexaminum|Hexilmethylenamine|HMT|HMTA|metenamina|Methenamin|Methenaminum|Metramine|Nocceler H|NSC 26346|NSC 403347|Preparation AF|Resotropin|Sanceler H|Thixon 715B|UN 1328|UNII-J50OIX95Q|11103-67-6|15978-33-3|56549-34-9|74734-16-0|91773-48-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020692 https://doi.org/10.22427/NTP-DATA-DTXSID6020692
ARPathway2016 ARPathway2016_406 Methenamine 100-97-0 DTXSID6020692 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1N2CN3CN1CN(C2)C3 Methenamine 100-97-0|Methenamine|1,3,5,7-Tetraazaadamantane|1,3,5,7-Tetraazatricyclo (3.3.1.1(3,7))decane|1,3,5,7-Tetraazatricyclo(3.3.1.1(sup 37))decane|1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane|1,3,5,7-Tetraazatricyclo[3.3.1.13-l]decane|1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane|1,3,5,7-Tetraazatricyclo[3.3.13,7]decane|1,3,5,7,-Tetraazatricyclo[3.3.1.13,7]decane|Aceto HMT|Aminoform|Aminoformaldehyde|Ammoform|Ammonioformaldehyde|Antihydral|Caswell No. 482|Cystamin|Cystogen|Duirexol|EINECS 202-905-8|Ekagom H|EPA Pesticide Chemical Code 045501|Esametilentetramina|Formamine|Herax UTS|Heterin|Hexa-Flo-Pulver|Hexaform|Hexaloids|Hexamethlenetetramine|Hexamethylenamine|hexamethylene tetramine|Hexamethylenetetraamine|Hexamethylenetetramine|Hexamethylenetetraminum|HEXAMETHYLENTETRAMIN|Hexamethylentetramine|hexamethylentetraminum|Hexamethylyene tetraamine|HEXAMINE|hexaminum|Hexilmethylenamine|HMT|HMTA|metenamina|Methenamin|Methenaminum|Metramine|Nocceler H|NSC 26346|NSC 403347|Preparation AF|Resotropin|Sanceler H|Thixon 715B|UN 1328|UNII-J50OIX95Q|11103-67-6|15978-33-3|56549-34-9|74734-16-0|91773-48-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020692 https://doi.org/10.22427/NTP-DATA-DTXSID6020692
ARPathway2016 ARPathway2016_406 Methenamine 100-97-0 DTXSID6020692 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1N2CN3CN1CN(C2)C3 Methenamine 100-97-0|Methenamine|1,3,5,7-Tetraazaadamantane|1,3,5,7-Tetraazatricyclo (3.3.1.1(3,7))decane|1,3,5,7-Tetraazatricyclo(3.3.1.1(sup 37))decane|1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane|1,3,5,7-Tetraazatricyclo[3.3.1.13-l]decane|1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane|1,3,5,7-Tetraazatricyclo[3.3.13,7]decane|1,3,5,7,-Tetraazatricyclo[3.3.1.13,7]decane|Aceto HMT|Aminoform|Aminoformaldehyde|Ammoform|Ammonioformaldehyde|Antihydral|Caswell No. 482|Cystamin|Cystogen|Duirexol|EINECS 202-905-8|Ekagom H|EPA Pesticide Chemical Code 045501|Esametilentetramina|Formamine|Herax UTS|Heterin|Hexa-Flo-Pulver|Hexaform|Hexaloids|Hexamethlenetetramine|Hexamethylenamine|hexamethylene tetramine|Hexamethylenetetraamine|Hexamethylenetetramine|Hexamethylenetetraminum|HEXAMETHYLENTETRAMIN|Hexamethylentetramine|hexamethylentetraminum|Hexamethylyene tetraamine|HEXAMINE|hexaminum|Hexilmethylenamine|HMT|HMTA|metenamina|Methenamin|Methenaminum|Metramine|Nocceler H|NSC 26346|NSC 403347|Preparation AF|Resotropin|Sanceler H|Thixon 715B|UN 1328|UNII-J50OIX95Q|11103-67-6|15978-33-3|56549-34-9|74734-16-0|91773-48-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020692 https://doi.org/10.22427/NTP-DATA-DTXSID6020692
ARPathway2016 ARPathway2016_406 Methenamine 100-97-0 DTXSID6020692 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1N2CN3CN1CN(C2)C3 Methenamine 100-97-0|Methenamine|1,3,5,7-Tetraazaadamantane|1,3,5,7-Tetraazatricyclo (3.3.1.1(3,7))decane|1,3,5,7-Tetraazatricyclo(3.3.1.1(sup 37))decane|1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane|1,3,5,7-Tetraazatricyclo[3.3.1.13-l]decane|1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane|1,3,5,7-Tetraazatricyclo[3.3.13,7]decane|1,3,5,7,-Tetraazatricyclo[3.3.1.13,7]decane|Aceto HMT|Aminoform|Aminoformaldehyde|Ammoform|Ammonioformaldehyde|Antihydral|Caswell No. 482|Cystamin|Cystogen|Duirexol|EINECS 202-905-8|Ekagom H|EPA Pesticide Chemical Code 045501|Esametilentetramina|Formamine|Herax UTS|Heterin|Hexa-Flo-Pulver|Hexaform|Hexaloids|Hexamethlenetetramine|Hexamethylenamine|hexamethylene tetramine|Hexamethylenetetraamine|Hexamethylenetetramine|Hexamethylenetetraminum|HEXAMETHYLENTETRAMIN|Hexamethylentetramine|hexamethylentetraminum|Hexamethylyene tetraamine|HEXAMINE|hexaminum|Hexilmethylenamine|HMT|HMTA|metenamina|Methenamin|Methenaminum|Metramine|Nocceler H|NSC 26346|NSC 403347|Preparation AF|Resotropin|Sanceler H|Thixon 715B|UN 1328|UNII-J50OIX95Q|11103-67-6|15978-33-3|56549-34-9|74734-16-0|91773-48-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020692 https://doi.org/10.22427/NTP-DATA-DTXSID6020692
ERPathway2016 ERPathway2016_1060 Methenamine 100-97-0 DTXSID6020692 ER Pathway Model, Agonist Model Score 0 Unitless C1N2CN3CN1CN(C2)C3 Methenamine 100-97-0|Methenamine|1,3,5,7-Tetraazaadamantane|1,3,5,7-Tetraazatricyclo (3.3.1.1(3,7))decane|1,3,5,7-Tetraazatricyclo(3.3.1.1(sup 37))decane|1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane|1,3,5,7-Tetraazatricyclo[3.3.1.13-l]decane|1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane|1,3,5,7-Tetraazatricyclo[3.3.13,7]decane|1,3,5,7,-Tetraazatricyclo[3.3.1.13,7]decane|Aceto HMT|Aminoform|Aminoformaldehyde|Ammoform|Ammonioformaldehyde|Antihydral|Caswell No. 482|Cystamin|Cystogen|Duirexol|EINECS 202-905-8|Ekagom H|EPA Pesticide Chemical Code 045501|Esametilentetramina|Formamine|Herax UTS|Heterin|Hexa-Flo-Pulver|Hexaform|Hexaloids|Hexamethlenetetramine|Hexamethylenamine|hexamethylene tetramine|Hexamethylenetetraamine|Hexamethylenetetramine|Hexamethylenetetraminum|HEXAMETHYLENTETRAMIN|Hexamethylentetramine|hexamethylentetraminum|Hexamethylyene tetraamine|HEXAMINE|hexaminum|Hexilmethylenamine|HMT|HMTA|metenamina|Methenamin|Methenaminum|Metramine|Nocceler H|NSC 26346|NSC 403347|Preparation AF|Resotropin|Sanceler H|Thixon 715B|UN 1328|UNII-J50OIX95Q|11103-67-6|15978-33-3|56549-34-9|74734-16-0|91773-48-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020692 https://doi.org/10.22427/NTP-DATA-DTXSID6020692
ERPathway2016 ERPathway2016_1060 Methenamine 100-97-0 DTXSID6020692 ER Pathway Model, Antagonist Model Score 0 Unitless C1N2CN3CN1CN(C2)C3 Methenamine 100-97-0|Methenamine|1,3,5,7-Tetraazaadamantane|1,3,5,7-Tetraazatricyclo (3.3.1.1(3,7))decane|1,3,5,7-Tetraazatricyclo(3.3.1.1(sup 37))decane|1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane|1,3,5,7-Tetraazatricyclo[3.3.1.13-l]decane|1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane|1,3,5,7-Tetraazatricyclo[3.3.13,7]decane|1,3,5,7,-Tetraazatricyclo[3.3.1.13,7]decane|Aceto HMT|Aminoform|Aminoformaldehyde|Ammoform|Ammonioformaldehyde|Antihydral|Caswell No. 482|Cystamin|Cystogen|Duirexol|EINECS 202-905-8|Ekagom H|EPA Pesticide Chemical Code 045501|Esametilentetramina|Formamine|Herax UTS|Heterin|Hexa-Flo-Pulver|Hexaform|Hexaloids|Hexamethlenetetramine|Hexamethylenamine|hexamethylene tetramine|Hexamethylenetetraamine|Hexamethylenetetramine|Hexamethylenetetraminum|HEXAMETHYLENTETRAMIN|Hexamethylentetramine|hexamethylentetraminum|Hexamethylyene tetraamine|HEXAMINE|hexaminum|Hexilmethylenamine|HMT|HMTA|metenamina|Methenamin|Methenaminum|Metramine|Nocceler H|NSC 26346|NSC 403347|Preparation AF|Resotropin|Sanceler H|Thixon 715B|UN 1328|UNII-J50OIX95Q|11103-67-6|15978-33-3|56549-34-9|74734-16-0|91773-48-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020692 https://doi.org/10.22427/NTP-DATA-DTXSID6020692
ERPathway2016 ERPathway2016_1060 Methenamine 100-97-0 DTXSID6020692 ER Pathway Model, Agonist Call Inactive Unitless C1N2CN3CN1CN(C2)C3 Methenamine 100-97-0|Methenamine|1,3,5,7-Tetraazaadamantane|1,3,5,7-Tetraazatricyclo (3.3.1.1(3,7))decane|1,3,5,7-Tetraazatricyclo(3.3.1.1(sup 37))decane|1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane|1,3,5,7-Tetraazatricyclo[3.3.1.13-l]decane|1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane|1,3,5,7-Tetraazatricyclo[3.3.13,7]decane|1,3,5,7,-Tetraazatricyclo[3.3.1.13,7]decane|Aceto HMT|Aminoform|Aminoformaldehyde|Ammoform|Ammonioformaldehyde|Antihydral|Caswell No. 482|Cystamin|Cystogen|Duirexol|EINECS 202-905-8|Ekagom H|EPA Pesticide Chemical Code 045501|Esametilentetramina|Formamine|Herax UTS|Heterin|Hexa-Flo-Pulver|Hexaform|Hexaloids|Hexamethlenetetramine|Hexamethylenamine|hexamethylene tetramine|Hexamethylenetetraamine|Hexamethylenetetramine|Hexamethylenetetraminum|HEXAMETHYLENTETRAMIN|Hexamethylentetramine|hexamethylentetraminum|Hexamethylyene tetraamine|HEXAMINE|hexaminum|Hexilmethylenamine|HMT|HMTA|metenamina|Methenamin|Methenaminum|Metramine|Nocceler H|NSC 26346|NSC 403347|Preparation AF|Resotropin|Sanceler H|Thixon 715B|UN 1328|UNII-J50OIX95Q|11103-67-6|15978-33-3|56549-34-9|74734-16-0|91773-48-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020692 https://doi.org/10.22427/NTP-DATA-DTXSID6020692
ERPathway2016 ERPathway2016_1060 Methenamine 100-97-0 DTXSID6020692 ER Pathway Model, Antagonist Call Inactive Unitless C1N2CN3CN1CN(C2)C3 Methenamine 100-97-0|Methenamine|1,3,5,7-Tetraazaadamantane|1,3,5,7-Tetraazatricyclo (3.3.1.1(3,7))decane|1,3,5,7-Tetraazatricyclo(3.3.1.1(sup 37))decane|1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane|1,3,5,7-Tetraazatricyclo[3.3.1.13-l]decane|1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane|1,3,5,7-Tetraazatricyclo[3.3.13,7]decane|1,3,5,7,-Tetraazatricyclo[3.3.1.13,7]decane|Aceto HMT|Aminoform|Aminoformaldehyde|Ammoform|Ammonioformaldehyde|Antihydral|Caswell No. 482|Cystamin|Cystogen|Duirexol|EINECS 202-905-8|Ekagom H|EPA Pesticide Chemical Code 045501|Esametilentetramina|Formamine|Herax UTS|Heterin|Hexa-Flo-Pulver|Hexaform|Hexaloids|Hexamethlenetetramine|Hexamethylenamine|hexamethylene tetramine|Hexamethylenetetraamine|Hexamethylenetetramine|Hexamethylenetetraminum|HEXAMETHYLENTETRAMIN|Hexamethylentetramine|hexamethylentetraminum|Hexamethylyene tetraamine|HEXAMINE|hexaminum|Hexilmethylenamine|HMT|HMTA|metenamina|Methenamin|Methenaminum|Metramine|Nocceler H|NSC 26346|NSC 403347|Preparation AF|Resotropin|Sanceler H|Thixon 715B|UN 1328|UNII-J50OIX95Q|11103-67-6|15978-33-3|56549-34-9|74734-16-0|91773-48-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020692 https://doi.org/10.22427/NTP-DATA-DTXSID6020692
ARPathway2016 ARPathway2016_1753 Methidathion 950-37-8 DTXSID5020819 1.0 A4 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=NN(CSP(=S)(OC)OC)C(=O)S1 Methidathion 950-37-8|Methidathion|(O,O-Dimethyl)-S-(-2-methoxy-delta(sup 2)-1,3,4-thiadiazolin-5-on-4-ylmethyl)dithiophosphate|3-Dimethoxyphosphinothioylthiomethyl-5-methoxy-1,3,4-thiadiazol-2(3H)-one|BRN 0619915|Caswell No. 378B|Ciba-Geigy GS 13005|Dithiophosphoric acid O,O-dimethyl-S-[2-methoxy-1,3,4-thiadizol-5(4H)-one-4-yl)methyl] ester|Dithiophosphoric acid O,O'-dimethyl-S-((2-methoxy-1,3,4-thiadiazol-5(4H)-on-4-yl)methyl) ester|Dithiophosphoric acid O,O'-dimethyl-S-((5-methoxy-1,3,4-thiadiazol-2(3H)-on-3-yl)methyl) ester|Dithiophosphoric acid O,O'-dimethyl-S-[(2-methoxy-1,3,4-thiadiazol-5(4H)-on-4-yl)methyl] ester|Dithiophosphoric acid O,O'-dimethyl-S-[(5-methoxy-1,3,4-thiadiazol-2(3H)-on-3-yl)methyl] ester|EINECS 213-449-4|EPA Pesticide Chemical Code 100301|Fisons NC 2964|Geigy 13005|Geigy GS 13005|Geigy GS-13005|Methidathion 50S|Methidation|metidation|O,O-Dimethyl phosphorodithioate S-ester with 4-(mercaptomethyl)-2-methoxy-1,3,4-thiadizaolin-5-one|O,O-Dimethyl S-(2,3-dihydro-5-methoxy-2-oxo-1,3,4-thiadiazol-3-ylmethyl) phosphorodithi|11114-31-1|160219-68-1|80210-09-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020819
ARPathway2016 ARPathway2016_1753 Methidathion 950-37-8 DTXSID5020819 1.0 A4 AR Pathway Model, Agonist Model Score 0 Unitless COC1=NN(CSP(=S)(OC)OC)C(=O)S1 Methidathion 950-37-8|Methidathion|(O,O-Dimethyl)-S-(-2-methoxy-delta(sup 2)-1,3,4-thiadiazolin-5-on-4-ylmethyl)dithiophosphate|3-Dimethoxyphosphinothioylthiomethyl-5-methoxy-1,3,4-thiadiazol-2(3H)-one|BRN 0619915|Caswell No. 378B|Ciba-Geigy GS 13005|Dithiophosphoric acid O,O-dimethyl-S-[2-methoxy-1,3,4-thiadizol-5(4H)-one-4-yl)methyl] ester|Dithiophosphoric acid O,O'-dimethyl-S-((2-methoxy-1,3,4-thiadiazol-5(4H)-on-4-yl)methyl) ester|Dithiophosphoric acid O,O'-dimethyl-S-((5-methoxy-1,3,4-thiadiazol-2(3H)-on-3-yl)methyl) ester|Dithiophosphoric acid O,O'-dimethyl-S-[(2-methoxy-1,3,4-thiadiazol-5(4H)-on-4-yl)methyl] ester|Dithiophosphoric acid O,O'-dimethyl-S-[(5-methoxy-1,3,4-thiadiazol-2(3H)-on-3-yl)methyl] ester|EINECS 213-449-4|EPA Pesticide Chemical Code 100301|Fisons NC 2964|Geigy 13005|Geigy GS 13005|Geigy GS-13005|Methidathion 50S|Methidation|metidation|O,O-Dimethyl phosphorodithioate S-ester with 4-(mercaptomethyl)-2-methoxy-1,3,4-thiadizaolin-5-one|O,O-Dimethyl S-(2,3-dihydro-5-methoxy-2-oxo-1,3,4-thiadiazol-3-ylmethyl) phosphorodithi|11114-31-1|160219-68-1|80210-09-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020819
ARPathway2016 ARPathway2016_1753 Methidathion 950-37-8 DTXSID5020819 1.0 A4 AR Pathway Model, Agonist Call Inactive Unitless COC1=NN(CSP(=S)(OC)OC)C(=O)S1 Methidathion 950-37-8|Methidathion|(O,O-Dimethyl)-S-(-2-methoxy-delta(sup 2)-1,3,4-thiadiazolin-5-on-4-ylmethyl)dithiophosphate|3-Dimethoxyphosphinothioylthiomethyl-5-methoxy-1,3,4-thiadiazol-2(3H)-one|BRN 0619915|Caswell No. 378B|Ciba-Geigy GS 13005|Dithiophosphoric acid O,O-dimethyl-S-[2-methoxy-1,3,4-thiadizol-5(4H)-one-4-yl)methyl] ester|Dithiophosphoric acid O,O'-dimethyl-S-((2-methoxy-1,3,4-thiadiazol-5(4H)-on-4-yl)methyl) ester|Dithiophosphoric acid O,O'-dimethyl-S-((5-methoxy-1,3,4-thiadiazol-2(3H)-on-3-yl)methyl) ester|Dithiophosphoric acid O,O'-dimethyl-S-[(2-methoxy-1,3,4-thiadiazol-5(4H)-on-4-yl)methyl] ester|Dithiophosphoric acid O,O'-dimethyl-S-[(5-methoxy-1,3,4-thiadiazol-2(3H)-on-3-yl)methyl] ester|EINECS 213-449-4|EPA Pesticide Chemical Code 100301|Fisons NC 2964|Geigy 13005|Geigy GS 13005|Geigy GS-13005|Methidathion 50S|Methidation|metidation|O,O-Dimethyl phosphorodithioate S-ester with 4-(mercaptomethyl)-2-methoxy-1,3,4-thiadizaolin-5-one|O,O-Dimethyl S-(2,3-dihydro-5-methoxy-2-oxo-1,3,4-thiadiazol-3-ylmethyl) phosphorodithi|11114-31-1|160219-68-1|80210-09-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020819
ARPathway2016 ARPathway2016_1753 Methidathion 950-37-8 DTXSID5020819 1.0 A4 AR Pathway Model, Antagonist Call Inactive Unitless COC1=NN(CSP(=S)(OC)OC)C(=O)S1 Methidathion 950-37-8|Methidathion|(O,O-Dimethyl)-S-(-2-methoxy-delta(sup 2)-1,3,4-thiadiazolin-5-on-4-ylmethyl)dithiophosphate|3-Dimethoxyphosphinothioylthiomethyl-5-methoxy-1,3,4-thiadiazol-2(3H)-one|BRN 0619915|Caswell No. 378B|Ciba-Geigy GS 13005|Dithiophosphoric acid O,O-dimethyl-S-[2-methoxy-1,3,4-thiadizol-5(4H)-one-4-yl)methyl] ester|Dithiophosphoric acid O,O'-dimethyl-S-((2-methoxy-1,3,4-thiadiazol-5(4H)-on-4-yl)methyl) ester|Dithiophosphoric acid O,O'-dimethyl-S-((5-methoxy-1,3,4-thiadiazol-2(3H)-on-3-yl)methyl) ester|Dithiophosphoric acid O,O'-dimethyl-S-[(2-methoxy-1,3,4-thiadiazol-5(4H)-on-4-yl)methyl] ester|Dithiophosphoric acid O,O'-dimethyl-S-[(5-methoxy-1,3,4-thiadiazol-2(3H)-on-3-yl)methyl] ester|EINECS 213-449-4|EPA Pesticide Chemical Code 100301|Fisons NC 2964|Geigy 13005|Geigy GS 13005|Geigy GS-13005|Methidathion 50S|Methidation|metidation|O,O-Dimethyl phosphorodithioate S-ester with 4-(mercaptomethyl)-2-methoxy-1,3,4-thiadizaolin-5-one|O,O-Dimethyl S-(2,3-dihydro-5-methoxy-2-oxo-1,3,4-thiadiazol-3-ylmethyl) phosphorodithi|11114-31-1|160219-68-1|80210-09-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020819
ERPathway2016 ERPathway2016_812 Methidathion 950-37-8 DTXSID5020819 ER Pathway Model, Agonist Model Score 0 Unitless COC1=NN(CSP(=S)(OC)OC)C(=O)S1 Methidathion 950-37-8|Methidathion|(O,O-Dimethyl)-S-(-2-methoxy-delta(sup 2)-1,3,4-thiadiazolin-5-on-4-ylmethyl)dithiophosphate|3-Dimethoxyphosphinothioylthiomethyl-5-methoxy-1,3,4-thiadiazol-2(3H)-one|BRN 0619915|Caswell No. 378B|Ciba-Geigy GS 13005|Dithiophosphoric acid O,O-dimethyl-S-[2-methoxy-1,3,4-thiadizol-5(4H)-one-4-yl)methyl] ester|Dithiophosphoric acid O,O'-dimethyl-S-((2-methoxy-1,3,4-thiadiazol-5(4H)-on-4-yl)methyl) ester|Dithiophosphoric acid O,O'-dimethyl-S-((5-methoxy-1,3,4-thiadiazol-2(3H)-on-3-yl)methyl) ester|Dithiophosphoric acid O,O'-dimethyl-S-[(2-methoxy-1,3,4-thiadiazol-5(4H)-on-4-yl)methyl] ester|Dithiophosphoric acid O,O'-dimethyl-S-[(5-methoxy-1,3,4-thiadiazol-2(3H)-on-3-yl)methyl] ester|EINECS 213-449-4|EPA Pesticide Chemical Code 100301|Fisons NC 2964|Geigy 13005|Geigy GS 13005|Geigy GS-13005|Methidathion 50S|Methidation|metidation|O,O-Dimethyl phosphorodithioate S-ester with 4-(mercaptomethyl)-2-methoxy-1,3,4-thiadizaolin-5-one|O,O-Dimethyl S-(2,3-dihydro-5-methoxy-2-oxo-1,3,4-thiadiazol-3-ylmethyl) phosphorodithi|11114-31-1|160219-68-1|80210-09-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020819
ERPathway2016 ERPathway2016_812 Methidathion 950-37-8 DTXSID5020819 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=NN(CSP(=S)(OC)OC)C(=O)S1 Methidathion 950-37-8|Methidathion|(O,O-Dimethyl)-S-(-2-methoxy-delta(sup 2)-1,3,4-thiadiazolin-5-on-4-ylmethyl)dithiophosphate|3-Dimethoxyphosphinothioylthiomethyl-5-methoxy-1,3,4-thiadiazol-2(3H)-one|BRN 0619915|Caswell No. 378B|Ciba-Geigy GS 13005|Dithiophosphoric acid O,O-dimethyl-S-[2-methoxy-1,3,4-thiadizol-5(4H)-one-4-yl)methyl] ester|Dithiophosphoric acid O,O'-dimethyl-S-((2-methoxy-1,3,4-thiadiazol-5(4H)-on-4-yl)methyl) ester|Dithiophosphoric acid O,O'-dimethyl-S-((5-methoxy-1,3,4-thiadiazol-2(3H)-on-3-yl)methyl) ester|Dithiophosphoric acid O,O'-dimethyl-S-[(2-methoxy-1,3,4-thiadiazol-5(4H)-on-4-yl)methyl] ester|Dithiophosphoric acid O,O'-dimethyl-S-[(5-methoxy-1,3,4-thiadiazol-2(3H)-on-3-yl)methyl] ester|EINECS 213-449-4|EPA Pesticide Chemical Code 100301|Fisons NC 2964|Geigy 13005|Geigy GS 13005|Geigy GS-13005|Methidathion 50S|Methidation|metidation|O,O-Dimethyl phosphorodithioate S-ester with 4-(mercaptomethyl)-2-methoxy-1,3,4-thiadizaolin-5-one|O,O-Dimethyl S-(2,3-dihydro-5-methoxy-2-oxo-1,3,4-thiadiazol-3-ylmethyl) phosphorodithi|11114-31-1|160219-68-1|80210-09-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020819
ERPathway2016 ERPathway2016_812 Methidathion 950-37-8 DTXSID5020819 ER Pathway Model, Agonist Call Inactive Unitless COC1=NN(CSP(=S)(OC)OC)C(=O)S1 Methidathion 950-37-8|Methidathion|(O,O-Dimethyl)-S-(-2-methoxy-delta(sup 2)-1,3,4-thiadiazolin-5-on-4-ylmethyl)dithiophosphate|3-Dimethoxyphosphinothioylthiomethyl-5-methoxy-1,3,4-thiadiazol-2(3H)-one|BRN 0619915|Caswell No. 378B|Ciba-Geigy GS 13005|Dithiophosphoric acid O,O-dimethyl-S-[2-methoxy-1,3,4-thiadizol-5(4H)-one-4-yl)methyl] ester|Dithiophosphoric acid O,O'-dimethyl-S-((2-methoxy-1,3,4-thiadiazol-5(4H)-on-4-yl)methyl) ester|Dithiophosphoric acid O,O'-dimethyl-S-((5-methoxy-1,3,4-thiadiazol-2(3H)-on-3-yl)methyl) ester|Dithiophosphoric acid O,O'-dimethyl-S-[(2-methoxy-1,3,4-thiadiazol-5(4H)-on-4-yl)methyl] ester|Dithiophosphoric acid O,O'-dimethyl-S-[(5-methoxy-1,3,4-thiadiazol-2(3H)-on-3-yl)methyl] ester|EINECS 213-449-4|EPA Pesticide Chemical Code 100301|Fisons NC 2964|Geigy 13005|Geigy GS 13005|Geigy GS-13005|Methidathion 50S|Methidation|metidation|O,O-Dimethyl phosphorodithioate S-ester with 4-(mercaptomethyl)-2-methoxy-1,3,4-thiadizaolin-5-one|O,O-Dimethyl S-(2,3-dihydro-5-methoxy-2-oxo-1,3,4-thiadiazol-3-ylmethyl) phosphorodithi|11114-31-1|160219-68-1|80210-09-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020819
ERPathway2016 ERPathway2016_812 Methidathion 950-37-8 DTXSID5020819 ER Pathway Model, Antagonist Call Inactive Unitless COC1=NN(CSP(=S)(OC)OC)C(=O)S1 Methidathion 950-37-8|Methidathion|(O,O-Dimethyl)-S-(-2-methoxy-delta(sup 2)-1,3,4-thiadiazolin-5-on-4-ylmethyl)dithiophosphate|3-Dimethoxyphosphinothioylthiomethyl-5-methoxy-1,3,4-thiadiazol-2(3H)-one|BRN 0619915|Caswell No. 378B|Ciba-Geigy GS 13005|Dithiophosphoric acid O,O-dimethyl-S-[2-methoxy-1,3,4-thiadizol-5(4H)-one-4-yl)methyl] ester|Dithiophosphoric acid O,O'-dimethyl-S-((2-methoxy-1,3,4-thiadiazol-5(4H)-on-4-yl)methyl) ester|Dithiophosphoric acid O,O'-dimethyl-S-((5-methoxy-1,3,4-thiadiazol-2(3H)-on-3-yl)methyl) ester|Dithiophosphoric acid O,O'-dimethyl-S-[(2-methoxy-1,3,4-thiadiazol-5(4H)-on-4-yl)methyl] ester|Dithiophosphoric acid O,O'-dimethyl-S-[(5-methoxy-1,3,4-thiadiazol-2(3H)-on-3-yl)methyl] ester|EINECS 213-449-4|EPA Pesticide Chemical Code 100301|Fisons NC 2964|Geigy 13005|Geigy GS 13005|Geigy GS-13005|Methidathion 50S|Methidation|metidation|O,O-Dimethyl phosphorodithioate S-ester with 4-(mercaptomethyl)-2-methoxy-1,3,4-thiadizaolin-5-one|O,O-Dimethyl S-(2,3-dihydro-5-methoxy-2-oxo-1,3,4-thiadiazol-3-ylmethyl) phosphorodithi|11114-31-1|160219-68-1|80210-09-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020819
ARPathway2016 ARPathway2016_1394 Methimazole 60-56-0 DTXSID4020820 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CN1C=CNC1=S Methimazole 60-56-0|Methimazole|1-Methyl-1,3-dihydroimidazole-2-thione|1-Methyl-1H-imidazole-2-thiol|1-Methyl-2-mercapto-1H-imidazole|1-Methyl-2-mercaptoimidazole|1-Methyl-4-imidazoline-2-thione|1-Methylimidazole-2-thiol|1-Methylimidazole-2-thione|1-Methylimidazole-2(3H)-thione|1-Metylo 2 merkaptoimidazolem|1,3-Dihydro-1-methyl-2H-imidazole-2-thione|2-Mercapto-1-methyl-1H-imidazole|2-Mercapto-1-methylimidazole|2-Mercapto-N-methylimidazole|2-Mercaptomethylimidazole|2H-Imidazole-2-thione, 1,3-dihydro-1-methyl-|4-Imidazoline-2-thione, 1-methyl-|Basolan|Danantizol|EINECS 200-482-4|Favistan|Felimazole|Frentirox|Imidazole-2-thiol, 1-methyl-|Mercaptazole|Mercazole|Mercazolyl|Mercazolylum|Merkastan|Merkazolil|Metazolo|Methimazol|Methimazolum|Methylmercaptoimidazole|Metimazol|Metizol|Metothyrin|Metothyrine|Metotirin|N-Methyl-2-mercaptoimidazole|N-Methylimidazolethiol|NSC 38608|Strumazol|TAP|Tapazole|Thacapzol|Thiamazol|thiamazole|Thiamazolum|Thycapsol|Thycapzol|Thymidazol|Thymidazole|Thyrozol|tiamazol|Tiamazolo|UNII-554Z48XN5E|4708-61-6|85916-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020820
ARPathway2016 ARPathway2016_1394 Methimazole 60-56-0 DTXSID4020820 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CN1C=CNC1=S Methimazole 60-56-0|Methimazole|1-Methyl-1,3-dihydroimidazole-2-thione|1-Methyl-1H-imidazole-2-thiol|1-Methyl-2-mercapto-1H-imidazole|1-Methyl-2-mercaptoimidazole|1-Methyl-4-imidazoline-2-thione|1-Methylimidazole-2-thiol|1-Methylimidazole-2-thione|1-Methylimidazole-2(3H)-thione|1-Metylo 2 merkaptoimidazolem|1,3-Dihydro-1-methyl-2H-imidazole-2-thione|2-Mercapto-1-methyl-1H-imidazole|2-Mercapto-1-methylimidazole|2-Mercapto-N-methylimidazole|2-Mercaptomethylimidazole|2H-Imidazole-2-thione, 1,3-dihydro-1-methyl-|4-Imidazoline-2-thione, 1-methyl-|Basolan|Danantizol|EINECS 200-482-4|Favistan|Felimazole|Frentirox|Imidazole-2-thiol, 1-methyl-|Mercaptazole|Mercazole|Mercazolyl|Mercazolylum|Merkastan|Merkazolil|Metazolo|Methimazol|Methimazolum|Methylmercaptoimidazole|Metimazol|Metizol|Metothyrin|Metothyrine|Metotirin|N-Methyl-2-mercaptoimidazole|N-Methylimidazolethiol|NSC 38608|Strumazol|TAP|Tapazole|Thacapzol|Thiamazol|thiamazole|Thiamazolum|Thycapsol|Thycapzol|Thymidazol|Thymidazole|Thyrozol|tiamazol|Tiamazolo|UNII-554Z48XN5E|4708-61-6|85916-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020820
ARPathway2016 ARPathway2016_1394 Methimazole 60-56-0 DTXSID4020820 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CN1C=CNC1=S Methimazole 60-56-0|Methimazole|1-Methyl-1,3-dihydroimidazole-2-thione|1-Methyl-1H-imidazole-2-thiol|1-Methyl-2-mercapto-1H-imidazole|1-Methyl-2-mercaptoimidazole|1-Methyl-4-imidazoline-2-thione|1-Methylimidazole-2-thiol|1-Methylimidazole-2-thione|1-Methylimidazole-2(3H)-thione|1-Metylo 2 merkaptoimidazolem|1,3-Dihydro-1-methyl-2H-imidazole-2-thione|2-Mercapto-1-methyl-1H-imidazole|2-Mercapto-1-methylimidazole|2-Mercapto-N-methylimidazole|2-Mercaptomethylimidazole|2H-Imidazole-2-thione, 1,3-dihydro-1-methyl-|4-Imidazoline-2-thione, 1-methyl-|Basolan|Danantizol|EINECS 200-482-4|Favistan|Felimazole|Frentirox|Imidazole-2-thiol, 1-methyl-|Mercaptazole|Mercazole|Mercazolyl|Mercazolylum|Merkastan|Merkazolil|Metazolo|Methimazol|Methimazolum|Methylmercaptoimidazole|Metimazol|Metizol|Metothyrin|Metothyrine|Metotirin|N-Methyl-2-mercaptoimidazole|N-Methylimidazolethiol|NSC 38608|Strumazol|TAP|Tapazole|Thacapzol|Thiamazol|thiamazole|Thiamazolum|Thycapsol|Thycapzol|Thymidazol|Thymidazole|Thyrozol|tiamazol|Tiamazolo|UNII-554Z48XN5E|4708-61-6|85916-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020820
ARPathway2016 ARPathway2016_1394 Methimazole 60-56-0 DTXSID4020820 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CN1C=CNC1=S Methimazole 60-56-0|Methimazole|1-Methyl-1,3-dihydroimidazole-2-thione|1-Methyl-1H-imidazole-2-thiol|1-Methyl-2-mercapto-1H-imidazole|1-Methyl-2-mercaptoimidazole|1-Methyl-4-imidazoline-2-thione|1-Methylimidazole-2-thiol|1-Methylimidazole-2-thione|1-Methylimidazole-2(3H)-thione|1-Metylo 2 merkaptoimidazolem|1,3-Dihydro-1-methyl-2H-imidazole-2-thione|2-Mercapto-1-methyl-1H-imidazole|2-Mercapto-1-methylimidazole|2-Mercapto-N-methylimidazole|2-Mercaptomethylimidazole|2H-Imidazole-2-thione, 1,3-dihydro-1-methyl-|4-Imidazoline-2-thione, 1-methyl-|Basolan|Danantizol|EINECS 200-482-4|Favistan|Felimazole|Frentirox|Imidazole-2-thiol, 1-methyl-|Mercaptazole|Mercazole|Mercazolyl|Mercazolylum|Merkastan|Merkazolil|Metazolo|Methimazol|Methimazolum|Methylmercaptoimidazole|Metimazol|Metizol|Metothyrin|Metothyrine|Metotirin|N-Methyl-2-mercaptoimidazole|N-Methylimidazolethiol|NSC 38608|Strumazol|TAP|Tapazole|Thacapzol|Thiamazol|thiamazole|Thiamazolum|Thycapsol|Thycapzol|Thymidazol|Thymidazole|Thyrozol|tiamazol|Tiamazolo|UNII-554Z48XN5E|4708-61-6|85916-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020820
ERPathway2016 ERPathway2016_795 Methimazole 60-56-0 DTXSID4020820 A15 ER Pathway Model, Agonist Model Score 0 Unitless CN1C=CNC1=S Methimazole 60-56-0|Methimazole|1-Methyl-1,3-dihydroimidazole-2-thione|1-Methyl-1H-imidazole-2-thiol|1-Methyl-2-mercapto-1H-imidazole|1-Methyl-2-mercaptoimidazole|1-Methyl-4-imidazoline-2-thione|1-Methylimidazole-2-thiol|1-Methylimidazole-2-thione|1-Methylimidazole-2(3H)-thione|1-Metylo 2 merkaptoimidazolem|1,3-Dihydro-1-methyl-2H-imidazole-2-thione|2-Mercapto-1-methyl-1H-imidazole|2-Mercapto-1-methylimidazole|2-Mercapto-N-methylimidazole|2-Mercaptomethylimidazole|2H-Imidazole-2-thione, 1,3-dihydro-1-methyl-|4-Imidazoline-2-thione, 1-methyl-|Basolan|Danantizol|EINECS 200-482-4|Favistan|Felimazole|Frentirox|Imidazole-2-thiol, 1-methyl-|Mercaptazole|Mercazole|Mercazolyl|Mercazolylum|Merkastan|Merkazolil|Metazolo|Methimazol|Methimazolum|Methylmercaptoimidazole|Metimazol|Metizol|Metothyrin|Metothyrine|Metotirin|N-Methyl-2-mercaptoimidazole|N-Methylimidazolethiol|NSC 38608|Strumazol|TAP|Tapazole|Thacapzol|Thiamazol|thiamazole|Thiamazolum|Thycapsol|Thycapzol|Thymidazol|Thymidazole|Thyrozol|tiamazol|Tiamazolo|UNII-554Z48XN5E|4708-61-6|85916-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020820
ERPathway2016 ERPathway2016_795 Methimazole 60-56-0 DTXSID4020820 A15 ER Pathway Model, Antagonist Model Score 0 Unitless CN1C=CNC1=S Methimazole 60-56-0|Methimazole|1-Methyl-1,3-dihydroimidazole-2-thione|1-Methyl-1H-imidazole-2-thiol|1-Methyl-2-mercapto-1H-imidazole|1-Methyl-2-mercaptoimidazole|1-Methyl-4-imidazoline-2-thione|1-Methylimidazole-2-thiol|1-Methylimidazole-2-thione|1-Methylimidazole-2(3H)-thione|1-Metylo 2 merkaptoimidazolem|1,3-Dihydro-1-methyl-2H-imidazole-2-thione|2-Mercapto-1-methyl-1H-imidazole|2-Mercapto-1-methylimidazole|2-Mercapto-N-methylimidazole|2-Mercaptomethylimidazole|2H-Imidazole-2-thione, 1,3-dihydro-1-methyl-|4-Imidazoline-2-thione, 1-methyl-|Basolan|Danantizol|EINECS 200-482-4|Favistan|Felimazole|Frentirox|Imidazole-2-thiol, 1-methyl-|Mercaptazole|Mercazole|Mercazolyl|Mercazolylum|Merkastan|Merkazolil|Metazolo|Methimazol|Methimazolum|Methylmercaptoimidazole|Metimazol|Metizol|Metothyrin|Metothyrine|Metotirin|N-Methyl-2-mercaptoimidazole|N-Methylimidazolethiol|NSC 38608|Strumazol|TAP|Tapazole|Thacapzol|Thiamazol|thiamazole|Thiamazolum|Thycapsol|Thycapzol|Thymidazol|Thymidazole|Thyrozol|tiamazol|Tiamazolo|UNII-554Z48XN5E|4708-61-6|85916-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020820
ERPathway2016 ERPathway2016_795 Methimazole 60-56-0 DTXSID4020820 A15 ER Pathway Model, Agonist Call Inactive Unitless CN1C=CNC1=S Methimazole 60-56-0|Methimazole|1-Methyl-1,3-dihydroimidazole-2-thione|1-Methyl-1H-imidazole-2-thiol|1-Methyl-2-mercapto-1H-imidazole|1-Methyl-2-mercaptoimidazole|1-Methyl-4-imidazoline-2-thione|1-Methylimidazole-2-thiol|1-Methylimidazole-2-thione|1-Methylimidazole-2(3H)-thione|1-Metylo 2 merkaptoimidazolem|1,3-Dihydro-1-methyl-2H-imidazole-2-thione|2-Mercapto-1-methyl-1H-imidazole|2-Mercapto-1-methylimidazole|2-Mercapto-N-methylimidazole|2-Mercaptomethylimidazole|2H-Imidazole-2-thione, 1,3-dihydro-1-methyl-|4-Imidazoline-2-thione, 1-methyl-|Basolan|Danantizol|EINECS 200-482-4|Favistan|Felimazole|Frentirox|Imidazole-2-thiol, 1-methyl-|Mercaptazole|Mercazole|Mercazolyl|Mercazolylum|Merkastan|Merkazolil|Metazolo|Methimazol|Methimazolum|Methylmercaptoimidazole|Metimazol|Metizol|Metothyrin|Metothyrine|Metotirin|N-Methyl-2-mercaptoimidazole|N-Methylimidazolethiol|NSC 38608|Strumazol|TAP|Tapazole|Thacapzol|Thiamazol|thiamazole|Thiamazolum|Thycapsol|Thycapzol|Thymidazol|Thymidazole|Thyrozol|tiamazol|Tiamazolo|UNII-554Z48XN5E|4708-61-6|85916-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020820
ERPathway2016 ERPathway2016_795 Methimazole 60-56-0 DTXSID4020820 A15 ER Pathway Model, Antagonist Call Inactive Unitless CN1C=CNC1=S Methimazole 60-56-0|Methimazole|1-Methyl-1,3-dihydroimidazole-2-thione|1-Methyl-1H-imidazole-2-thiol|1-Methyl-2-mercapto-1H-imidazole|1-Methyl-2-mercaptoimidazole|1-Methyl-4-imidazoline-2-thione|1-Methylimidazole-2-thiol|1-Methylimidazole-2-thione|1-Methylimidazole-2(3H)-thione|1-Metylo 2 merkaptoimidazolem|1,3-Dihydro-1-methyl-2H-imidazole-2-thione|2-Mercapto-1-methyl-1H-imidazole|2-Mercapto-1-methylimidazole|2-Mercapto-N-methylimidazole|2-Mercaptomethylimidazole|2H-Imidazole-2-thione, 1,3-dihydro-1-methyl-|4-Imidazoline-2-thione, 1-methyl-|Basolan|Danantizol|EINECS 200-482-4|Favistan|Felimazole|Frentirox|Imidazole-2-thiol, 1-methyl-|Mercaptazole|Mercazole|Mercazolyl|Mercazolylum|Merkastan|Merkazolil|Metazolo|Methimazol|Methimazolum|Methylmercaptoimidazole|Metimazol|Metizol|Metothyrin|Metothyrine|Metotirin|N-Methyl-2-mercaptoimidazole|N-Methylimidazolethiol|NSC 38608|Strumazol|TAP|Tapazole|Thacapzol|Thiamazol|thiamazole|Thiamazolum|Thycapsol|Thycapzol|Thymidazol|Thymidazole|Thyrozol|tiamazol|Tiamazolo|UNII-554Z48XN5E|4708-61-6|85916-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020820
ARPathway2016 ARPathway2016_928 Methomyl 16752-77-5 DTXSID1022267 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)ON=C(C)SC Methomyl 16752-77-5|Methomyl|1-(Methylthio)acetaldehyde O-methylcarbamoyloxime|1-(Methylthio)ethylideneamino methylcarbamate|1-(methylthio)ethylideneamino N-methylcarbamate|2-Methylthio-acetaldehyd-O-(methylcarbamoyl)-oxim|2-Methylthio-propionaldehyd-O-(methylcarbamoyl)-oxim|3-Thiabutan-2-one, O-(methylcarbamoyl)oxime|Acetimidic acid, N-[(methylcarbamoyl)oxy]thio-, methyl ester|Acetimidothioic acid, methyl-, N-(methylcarbamoyl) ester|BRN 2042050|Caswell No. 549C|Du Pont 1179|Du Pont Insecticide 1179|Dunet|Dupont 1179|EC No.: 240-815-0|EINECS 240-815-0|EPA Pesticide Chemical Code 090301|Ethanimidothioic acid, N-[[(methylamino)carbonyl] oxy]-, methyl ester|Ethanimidothioic acid, N-[[(methylamino)carbonyl]oxy]-, methyl ester|IN 1179|Insecticide 1,179|Lan Bait|Lannate|Lannate 20|Lannate 20L|Lannate 25|Lannate 90SP|Lannate D|Lannate L|Lannate LV|Mesomile|Methomex|methomyl|Methomyl SP|Methyl N-(((methylamino)carbonyl)oxy)ethanimidothioate|Methyl N-((methylcarbamoyl)oxy)thioacetimidate|Methyl N-[(methylamino)carbonyloxy]ethanimidothioate|Methyl|136511-07-4|136799-44-5|22224-93-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022267
ARPathway2016 ARPathway2016_928 Methomyl 16752-77-5 DTXSID1022267 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CNC(=O)ON=C(C)SC Methomyl 16752-77-5|Methomyl|1-(Methylthio)acetaldehyde O-methylcarbamoyloxime|1-(Methylthio)ethylideneamino methylcarbamate|1-(methylthio)ethylideneamino N-methylcarbamate|2-Methylthio-acetaldehyd-O-(methylcarbamoyl)-oxim|2-Methylthio-propionaldehyd-O-(methylcarbamoyl)-oxim|3-Thiabutan-2-one, O-(methylcarbamoyl)oxime|Acetimidic acid, N-[(methylcarbamoyl)oxy]thio-, methyl ester|Acetimidothioic acid, methyl-, N-(methylcarbamoyl) ester|BRN 2042050|Caswell No. 549C|Du Pont 1179|Du Pont Insecticide 1179|Dunet|Dupont 1179|EC No.: 240-815-0|EINECS 240-815-0|EPA Pesticide Chemical Code 090301|Ethanimidothioic acid, N-[[(methylamino)carbonyl] oxy]-, methyl ester|Ethanimidothioic acid, N-[[(methylamino)carbonyl]oxy]-, methyl ester|IN 1179|Insecticide 1,179|Lan Bait|Lannate|Lannate 20|Lannate 20L|Lannate 25|Lannate 90SP|Lannate D|Lannate L|Lannate LV|Mesomile|Methomex|methomyl|Methomyl SP|Methyl N-(((methylamino)carbonyl)oxy)ethanimidothioate|Methyl N-((methylcarbamoyl)oxy)thioacetimidate|Methyl N-[(methylamino)carbonyloxy]ethanimidothioate|Methyl|136511-07-4|136799-44-5|22224-93-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022267
ARPathway2016 ARPathway2016_928 Methomyl 16752-77-5 DTXSID1022267 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Inactive Unitless CNC(=O)ON=C(C)SC Methomyl 16752-77-5|Methomyl|1-(Methylthio)acetaldehyde O-methylcarbamoyloxime|1-(Methylthio)ethylideneamino methylcarbamate|1-(methylthio)ethylideneamino N-methylcarbamate|2-Methylthio-acetaldehyd-O-(methylcarbamoyl)-oxim|2-Methylthio-propionaldehyd-O-(methylcarbamoyl)-oxim|3-Thiabutan-2-one, O-(methylcarbamoyl)oxime|Acetimidic acid, N-[(methylcarbamoyl)oxy]thio-, methyl ester|Acetimidothioic acid, methyl-, N-(methylcarbamoyl) ester|BRN 2042050|Caswell No. 549C|Du Pont 1179|Du Pont Insecticide 1179|Dunet|Dupont 1179|EC No.: 240-815-0|EINECS 240-815-0|EPA Pesticide Chemical Code 090301|Ethanimidothioic acid, N-[[(methylamino)carbonyl] oxy]-, methyl ester|Ethanimidothioic acid, N-[[(methylamino)carbonyl]oxy]-, methyl ester|IN 1179|Insecticide 1,179|Lan Bait|Lannate|Lannate 20|Lannate 20L|Lannate 25|Lannate 90SP|Lannate D|Lannate L|Lannate LV|Mesomile|Methomex|methomyl|Methomyl SP|Methyl N-(((methylamino)carbonyl)oxy)ethanimidothioate|Methyl N-((methylcarbamoyl)oxy)thioacetimidate|Methyl N-[(methylamino)carbonyloxy]ethanimidothioate|Methyl|136511-07-4|136799-44-5|22224-93-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022267
ARPathway2016 ARPathway2016_928 Methomyl 16752-77-5 DTXSID1022267 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CNC(=O)ON=C(C)SC Methomyl 16752-77-5|Methomyl|1-(Methylthio)acetaldehyde O-methylcarbamoyloxime|1-(Methylthio)ethylideneamino methylcarbamate|1-(methylthio)ethylideneamino N-methylcarbamate|2-Methylthio-acetaldehyd-O-(methylcarbamoyl)-oxim|2-Methylthio-propionaldehyd-O-(methylcarbamoyl)-oxim|3-Thiabutan-2-one, O-(methylcarbamoyl)oxime|Acetimidic acid, N-[(methylcarbamoyl)oxy]thio-, methyl ester|Acetimidothioic acid, methyl-, N-(methylcarbamoyl) ester|BRN 2042050|Caswell No. 549C|Du Pont 1179|Du Pont Insecticide 1179|Dunet|Dupont 1179|EC No.: 240-815-0|EINECS 240-815-0|EPA Pesticide Chemical Code 090301|Ethanimidothioic acid, N-[[(methylamino)carbonyl] oxy]-, methyl ester|Ethanimidothioic acid, N-[[(methylamino)carbonyl]oxy]-, methyl ester|IN 1179|Insecticide 1,179|Lan Bait|Lannate|Lannate 20|Lannate 20L|Lannate 25|Lannate 90SP|Lannate D|Lannate L|Lannate LV|Mesomile|Methomex|methomyl|Methomyl SP|Methyl N-(((methylamino)carbonyl)oxy)ethanimidothioate|Methyl N-((methylcarbamoyl)oxy)thioacetimidate|Methyl N-[(methylamino)carbonyloxy]ethanimidothioate|Methyl|136511-07-4|136799-44-5|22224-93-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022267
ERPathway2016 ERPathway2016_1342 Methomyl 16752-77-5 DTXSID1022267 ER Pathway Model, Agonist Model Score 0 Unitless CNC(=O)ON=C(C)SC Methomyl 16752-77-5|Methomyl|1-(Methylthio)acetaldehyde O-methylcarbamoyloxime|1-(Methylthio)ethylideneamino methylcarbamate|1-(methylthio)ethylideneamino N-methylcarbamate|2-Methylthio-acetaldehyd-O-(methylcarbamoyl)-oxim|2-Methylthio-propionaldehyd-O-(methylcarbamoyl)-oxim|3-Thiabutan-2-one, O-(methylcarbamoyl)oxime|Acetimidic acid, N-[(methylcarbamoyl)oxy]thio-, methyl ester|Acetimidothioic acid, methyl-, N-(methylcarbamoyl) ester|BRN 2042050|Caswell No. 549C|Du Pont 1179|Du Pont Insecticide 1179|Dunet|Dupont 1179|EC No.: 240-815-0|EINECS 240-815-0|EPA Pesticide Chemical Code 090301|Ethanimidothioic acid, N-[[(methylamino)carbonyl] oxy]-, methyl ester|Ethanimidothioic acid, N-[[(methylamino)carbonyl]oxy]-, methyl ester|IN 1179|Insecticide 1,179|Lan Bait|Lannate|Lannate 20|Lannate 20L|Lannate 25|Lannate 90SP|Lannate D|Lannate L|Lannate LV|Mesomile|Methomex|methomyl|Methomyl SP|Methyl N-(((methylamino)carbonyl)oxy)ethanimidothioate|Methyl N-((methylcarbamoyl)oxy)thioacetimidate|Methyl N-[(methylamino)carbonyloxy]ethanimidothioate|Methyl|136511-07-4|136799-44-5|22224-93-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022267
ERPathway2016 ERPathway2016_1342 Methomyl 16752-77-5 DTXSID1022267 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)ON=C(C)SC Methomyl 16752-77-5|Methomyl|1-(Methylthio)acetaldehyde O-methylcarbamoyloxime|1-(Methylthio)ethylideneamino methylcarbamate|1-(methylthio)ethylideneamino N-methylcarbamate|2-Methylthio-acetaldehyd-O-(methylcarbamoyl)-oxim|2-Methylthio-propionaldehyd-O-(methylcarbamoyl)-oxim|3-Thiabutan-2-one, O-(methylcarbamoyl)oxime|Acetimidic acid, N-[(methylcarbamoyl)oxy]thio-, methyl ester|Acetimidothioic acid, methyl-, N-(methylcarbamoyl) ester|BRN 2042050|Caswell No. 549C|Du Pont 1179|Du Pont Insecticide 1179|Dunet|Dupont 1179|EC No.: 240-815-0|EINECS 240-815-0|EPA Pesticide Chemical Code 090301|Ethanimidothioic acid, N-[[(methylamino)carbonyl] oxy]-, methyl ester|Ethanimidothioic acid, N-[[(methylamino)carbonyl]oxy]-, methyl ester|IN 1179|Insecticide 1,179|Lan Bait|Lannate|Lannate 20|Lannate 20L|Lannate 25|Lannate 90SP|Lannate D|Lannate L|Lannate LV|Mesomile|Methomex|methomyl|Methomyl SP|Methyl N-(((methylamino)carbonyl)oxy)ethanimidothioate|Methyl N-((methylcarbamoyl)oxy)thioacetimidate|Methyl N-[(methylamino)carbonyloxy]ethanimidothioate|Methyl|136511-07-4|136799-44-5|22224-93-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022267
ERPathway2016 ERPathway2016_1342 Methomyl 16752-77-5 DTXSID1022267 ER Pathway Model, Agonist Call Inactive Unitless CNC(=O)ON=C(C)SC Methomyl 16752-77-5|Methomyl|1-(Methylthio)acetaldehyde O-methylcarbamoyloxime|1-(Methylthio)ethylideneamino methylcarbamate|1-(methylthio)ethylideneamino N-methylcarbamate|2-Methylthio-acetaldehyd-O-(methylcarbamoyl)-oxim|2-Methylthio-propionaldehyd-O-(methylcarbamoyl)-oxim|3-Thiabutan-2-one, O-(methylcarbamoyl)oxime|Acetimidic acid, N-[(methylcarbamoyl)oxy]thio-, methyl ester|Acetimidothioic acid, methyl-, N-(methylcarbamoyl) ester|BRN 2042050|Caswell No. 549C|Du Pont 1179|Du Pont Insecticide 1179|Dunet|Dupont 1179|EC No.: 240-815-0|EINECS 240-815-0|EPA Pesticide Chemical Code 090301|Ethanimidothioic acid, N-[[(methylamino)carbonyl] oxy]-, methyl ester|Ethanimidothioic acid, N-[[(methylamino)carbonyl]oxy]-, methyl ester|IN 1179|Insecticide 1,179|Lan Bait|Lannate|Lannate 20|Lannate 20L|Lannate 25|Lannate 90SP|Lannate D|Lannate L|Lannate LV|Mesomile|Methomex|methomyl|Methomyl SP|Methyl N-(((methylamino)carbonyl)oxy)ethanimidothioate|Methyl N-((methylcarbamoyl)oxy)thioacetimidate|Methyl N-[(methylamino)carbonyloxy]ethanimidothioate|Methyl|136511-07-4|136799-44-5|22224-93-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022267
ERPathway2016 ERPathway2016_1342 Methomyl 16752-77-5 DTXSID1022267 ER Pathway Model, Antagonist Call Inactive Unitless CNC(=O)ON=C(C)SC Methomyl 16752-77-5|Methomyl|1-(Methylthio)acetaldehyde O-methylcarbamoyloxime|1-(Methylthio)ethylideneamino methylcarbamate|1-(methylthio)ethylideneamino N-methylcarbamate|2-Methylthio-acetaldehyd-O-(methylcarbamoyl)-oxim|2-Methylthio-propionaldehyd-O-(methylcarbamoyl)-oxim|3-Thiabutan-2-one, O-(methylcarbamoyl)oxime|Acetimidic acid, N-[(methylcarbamoyl)oxy]thio-, methyl ester|Acetimidothioic acid, methyl-, N-(methylcarbamoyl) ester|BRN 2042050|Caswell No. 549C|Du Pont 1179|Du Pont Insecticide 1179|Dunet|Dupont 1179|EC No.: 240-815-0|EINECS 240-815-0|EPA Pesticide Chemical Code 090301|Ethanimidothioic acid, N-[[(methylamino)carbonyl] oxy]-, methyl ester|Ethanimidothioic acid, N-[[(methylamino)carbonyl]oxy]-, methyl ester|IN 1179|Insecticide 1,179|Lan Bait|Lannate|Lannate 20|Lannate 20L|Lannate 25|Lannate 90SP|Lannate D|Lannate L|Lannate LV|Mesomile|Methomex|methomyl|Methomyl SP|Methyl N-(((methylamino)carbonyl)oxy)ethanimidothioate|Methyl N-((methylcarbamoyl)oxy)thioacetimidate|Methyl N-[(methylamino)carbonyloxy]ethanimidothioate|Methyl|136511-07-4|136799-44-5|22224-93-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022267
ARPathway2016 ARPathway2016_1373 Methotrexate 59-05-2 DTXSID4020822 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(CC1=NC2=C(N=C1)N=C(N)N=C2N)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Methotrexate 59-05-2|Methotrexate|(+)-Amethopterin|(2S)-2-[[4-[[(2,4-Diaminopteridin-6-yl)methyl]methylamino]benzoyl]amino]pentanedioic acid|4-Amino-10-methylfolic acid|4-Amino-N(sup 10)-methylpteroylglutamic acid|4-Amino-N10-methylfolic acid|4-Amino-N10-methylpteroylglutamic acid|4-Aminomethylpteroylglutamic acid|A-Methopterin|A-Methpterin|Acido L-glutamico, N-[4 - [[(2,4-diamino-6-pteridinil) metil] metilamino] benzoil] -|Amethopterin|Amethopterin L-|Amethopterine|Antifolan|Brimexate|Caditrex|CL 14377|EINECS 200-413-8|EMT 25299|Emtexate|Emthexat|Emthexate|Emthexate PF|Emtrexate|Fauldexato|Folex|Folex PFS|Folex-Pfs|Folitrax|Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-(+)-|Kyselina 4-amino-N(sup 10)-methylpteroylglutamova|Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova|L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamic acid|L-Amethopterin|L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-|L-Methotrexate|Lantarel|Ledertrexate|1082707-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020822 https://doi.org/10.22427/NTP-DATA-DTXSID4020822
ARPathway2016 ARPathway2016_1373 Methotrexate 59-05-2 DTXSID4020822 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(CC1=NC2=C(N=C1)N=C(N)N=C2N)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Methotrexate 59-05-2|Methotrexate|(+)-Amethopterin|(2S)-2-[[4-[[(2,4-Diaminopteridin-6-yl)methyl]methylamino]benzoyl]amino]pentanedioic acid|4-Amino-10-methylfolic acid|4-Amino-N(sup 10)-methylpteroylglutamic acid|4-Amino-N10-methylfolic acid|4-Amino-N10-methylpteroylglutamic acid|4-Aminomethylpteroylglutamic acid|A-Methopterin|A-Methpterin|Acido L-glutamico, N-[4 - [[(2,4-diamino-6-pteridinil) metil] metilamino] benzoil] -|Amethopterin|Amethopterin L-|Amethopterine|Antifolan|Brimexate|Caditrex|CL 14377|EINECS 200-413-8|EMT 25299|Emtexate|Emthexat|Emthexate|Emthexate PF|Emtrexate|Fauldexato|Folex|Folex PFS|Folex-Pfs|Folitrax|Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-(+)-|Kyselina 4-amino-N(sup 10)-methylpteroylglutamova|Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova|L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamic acid|L-Amethopterin|L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-|L-Methotrexate|Lantarel|Ledertrexate|1082707-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020822 https://doi.org/10.22427/NTP-DATA-DTXSID4020822
ARPathway2016 ARPathway2016_1373 Methotrexate 59-05-2 DTXSID4020822 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN(CC1=NC2=C(N=C1)N=C(N)N=C2N)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Methotrexate 59-05-2|Methotrexate|(+)-Amethopterin|(2S)-2-[[4-[[(2,4-Diaminopteridin-6-yl)methyl]methylamino]benzoyl]amino]pentanedioic acid|4-Amino-10-methylfolic acid|4-Amino-N(sup 10)-methylpteroylglutamic acid|4-Amino-N10-methylfolic acid|4-Amino-N10-methylpteroylglutamic acid|4-Aminomethylpteroylglutamic acid|A-Methopterin|A-Methpterin|Acido L-glutamico, N-[4 - [[(2,4-diamino-6-pteridinil) metil] metilamino] benzoil] -|Amethopterin|Amethopterin L-|Amethopterine|Antifolan|Brimexate|Caditrex|CL 14377|EINECS 200-413-8|EMT 25299|Emtexate|Emthexat|Emthexate|Emthexate PF|Emtrexate|Fauldexato|Folex|Folex PFS|Folex-Pfs|Folitrax|Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-(+)-|Kyselina 4-amino-N(sup 10)-methylpteroylglutamova|Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova|L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamic acid|L-Amethopterin|L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-|L-Methotrexate|Lantarel|Ledertrexate|1082707-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020822 https://doi.org/10.22427/NTP-DATA-DTXSID4020822
ARPathway2016 ARPathway2016_1373 Methotrexate 59-05-2 DTXSID4020822 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(CC1=NC2=C(N=C1)N=C(N)N=C2N)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Methotrexate 59-05-2|Methotrexate|(+)-Amethopterin|(2S)-2-[[4-[[(2,4-Diaminopteridin-6-yl)methyl]methylamino]benzoyl]amino]pentanedioic acid|4-Amino-10-methylfolic acid|4-Amino-N(sup 10)-methylpteroylglutamic acid|4-Amino-N10-methylfolic acid|4-Amino-N10-methylpteroylglutamic acid|4-Aminomethylpteroylglutamic acid|A-Methopterin|A-Methpterin|Acido L-glutamico, N-[4 - [[(2,4-diamino-6-pteridinil) metil] metilamino] benzoil] -|Amethopterin|Amethopterin L-|Amethopterine|Antifolan|Brimexate|Caditrex|CL 14377|EINECS 200-413-8|EMT 25299|Emtexate|Emthexat|Emthexate|Emthexate PF|Emtrexate|Fauldexato|Folex|Folex PFS|Folex-Pfs|Folitrax|Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-(+)-|Kyselina 4-amino-N(sup 10)-methylpteroylglutamova|Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova|L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamic acid|L-Amethopterin|L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-|L-Methotrexate|Lantarel|Ledertrexate|1082707-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020822 https://doi.org/10.22427/NTP-DATA-DTXSID4020822
ERPathway2016 ERPathway2016_1563 Methotrexate 59-05-2 DTXSID4020822 ER Pathway Model, Agonist Model Score 0 Unitless CN(CC1=NC2=C(N=C1)N=C(N)N=C2N)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Methotrexate 59-05-2|Methotrexate|(+)-Amethopterin|(2S)-2-[[4-[[(2,4-Diaminopteridin-6-yl)methyl]methylamino]benzoyl]amino]pentanedioic acid|4-Amino-10-methylfolic acid|4-Amino-N(sup 10)-methylpteroylglutamic acid|4-Amino-N10-methylfolic acid|4-Amino-N10-methylpteroylglutamic acid|4-Aminomethylpteroylglutamic acid|A-Methopterin|A-Methpterin|Acido L-glutamico, N-[4 - [[(2,4-diamino-6-pteridinil) metil] metilamino] benzoil] -|Amethopterin|Amethopterin L-|Amethopterine|Antifolan|Brimexate|Caditrex|CL 14377|EINECS 200-413-8|EMT 25299|Emtexate|Emthexat|Emthexate|Emthexate PF|Emtrexate|Fauldexato|Folex|Folex PFS|Folex-Pfs|Folitrax|Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-(+)-|Kyselina 4-amino-N(sup 10)-methylpteroylglutamova|Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova|L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamic acid|L-Amethopterin|L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-|L-Methotrexate|Lantarel|Ledertrexate|1082707-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020822 https://doi.org/10.22427/NTP-DATA-DTXSID4020822
ERPathway2016 ERPathway2016_1563 Methotrexate 59-05-2 DTXSID4020822 ER Pathway Model, Antagonist Model Score 0 Unitless CN(CC1=NC2=C(N=C1)N=C(N)N=C2N)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Methotrexate 59-05-2|Methotrexate|(+)-Amethopterin|(2S)-2-[[4-[[(2,4-Diaminopteridin-6-yl)methyl]methylamino]benzoyl]amino]pentanedioic acid|4-Amino-10-methylfolic acid|4-Amino-N(sup 10)-methylpteroylglutamic acid|4-Amino-N10-methylfolic acid|4-Amino-N10-methylpteroylglutamic acid|4-Aminomethylpteroylglutamic acid|A-Methopterin|A-Methpterin|Acido L-glutamico, N-[4 - [[(2,4-diamino-6-pteridinil) metil] metilamino] benzoil] -|Amethopterin|Amethopterin L-|Amethopterine|Antifolan|Brimexate|Caditrex|CL 14377|EINECS 200-413-8|EMT 25299|Emtexate|Emthexat|Emthexate|Emthexate PF|Emtrexate|Fauldexato|Folex|Folex PFS|Folex-Pfs|Folitrax|Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-(+)-|Kyselina 4-amino-N(sup 10)-methylpteroylglutamova|Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova|L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamic acid|L-Amethopterin|L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-|L-Methotrexate|Lantarel|Ledertrexate|1082707-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020822 https://doi.org/10.22427/NTP-DATA-DTXSID4020822
ERPathway2016 ERPathway2016_1563 Methotrexate 59-05-2 DTXSID4020822 ER Pathway Model, Agonist Call Inactive Unitless CN(CC1=NC2=C(N=C1)N=C(N)N=C2N)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Methotrexate 59-05-2|Methotrexate|(+)-Amethopterin|(2S)-2-[[4-[[(2,4-Diaminopteridin-6-yl)methyl]methylamino]benzoyl]amino]pentanedioic acid|4-Amino-10-methylfolic acid|4-Amino-N(sup 10)-methylpteroylglutamic acid|4-Amino-N10-methylfolic acid|4-Amino-N10-methylpteroylglutamic acid|4-Aminomethylpteroylglutamic acid|A-Methopterin|A-Methpterin|Acido L-glutamico, N-[4 - [[(2,4-diamino-6-pteridinil) metil] metilamino] benzoil] -|Amethopterin|Amethopterin L-|Amethopterine|Antifolan|Brimexate|Caditrex|CL 14377|EINECS 200-413-8|EMT 25299|Emtexate|Emthexat|Emthexate|Emthexate PF|Emtrexate|Fauldexato|Folex|Folex PFS|Folex-Pfs|Folitrax|Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-(+)-|Kyselina 4-amino-N(sup 10)-methylpteroylglutamova|Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova|L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamic acid|L-Amethopterin|L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-|L-Methotrexate|Lantarel|Ledertrexate|1082707-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020822 https://doi.org/10.22427/NTP-DATA-DTXSID4020822
ERPathway2016 ERPathway2016_1563 Methotrexate 59-05-2 DTXSID4020822 ER Pathway Model, Antagonist Call Inactive Unitless CN(CC1=NC2=C(N=C1)N=C(N)N=C2N)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Methotrexate 59-05-2|Methotrexate|(+)-Amethopterin|(2S)-2-[[4-[[(2,4-Diaminopteridin-6-yl)methyl]methylamino]benzoyl]amino]pentanedioic acid|4-Amino-10-methylfolic acid|4-Amino-N(sup 10)-methylpteroylglutamic acid|4-Amino-N10-methylfolic acid|4-Amino-N10-methylpteroylglutamic acid|4-Aminomethylpteroylglutamic acid|A-Methopterin|A-Methpterin|Acido L-glutamico, N-[4 - [[(2,4-diamino-6-pteridinil) metil] metilamino] benzoil] -|Amethopterin|Amethopterin L-|Amethopterine|Antifolan|Brimexate|Caditrex|CL 14377|EINECS 200-413-8|EMT 25299|Emtexate|Emthexat|Emthexate|Emthexate PF|Emtrexate|Fauldexato|Folex|Folex PFS|Folex-Pfs|Folitrax|Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-(+)-|Kyselina 4-amino-N(sup 10)-methylpteroylglutamova|Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova|L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamic acid|L-Amethopterin|L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-|L-Methotrexate|Lantarel|Ledertrexate|1082707-84-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020822 https://doi.org/10.22427/NTP-DATA-DTXSID4020822
ARPathway2016 ARPathway2016_262 Methoxychlor 72-43-5 DTXSID9020827 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist AC50 34.19386688 uM COC1=CC=C(C=C1)C(C1=CC=C(OC)C=C1)C(Cl)(Cl)Cl Methoxychlor 72-43-5|Methoxychlor|1,1-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1-Bis(p-methoxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichlor-2,2-bis(4-methoxy-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-anisyl)ethane|1,1,1-trichloro-2,2-bis(p-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-di(4-methoxyphenyl)ethane|1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-methoxybenzene)|1,1'-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-methoxybenzene]|2,2-Bis(4-methoxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-anisyl)-1,1,1-trichloroethane|2,2-Bis(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-p-anisyl-1,1,1-trichloroethane|2,2-di(p-methoxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-methoxyphenyl)ethane|4,4-(2,2,2-Trichloroethylidene)dianisole|4,4'-(2,2,2-Trichloroethylidene)dianisole|Benceno, 1,1 '- (2,2,2-tricloroetilideno) bis [4-metoxi|Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-methoxy-|BRN 2057367|Caswell No https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020827 https://doi.org/10.22427/NTP-DATA-DTXSID9020827
ARPathway2016 ARPathway2016_262 Methoxychlor 72-43-5 DTXSID9020827 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist ACC 33.87055516 uM COC1=CC=C(C=C1)C(C1=CC=C(OC)C=C1)C(Cl)(Cl)Cl Methoxychlor 72-43-5|Methoxychlor|1,1-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1-Bis(p-methoxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichlor-2,2-bis(4-methoxy-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-anisyl)ethane|1,1,1-trichloro-2,2-bis(p-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-di(4-methoxyphenyl)ethane|1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-methoxybenzene)|1,1'-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-methoxybenzene]|2,2-Bis(4-methoxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-anisyl)-1,1,1-trichloroethane|2,2-Bis(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-p-anisyl-1,1,1-trichloroethane|2,2-di(p-methoxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-methoxyphenyl)ethane|4,4-(2,2,2-Trichloroethylidene)dianisole|4,4'-(2,2,2-Trichloroethylidene)dianisole|Benceno, 1,1 '- (2,2,2-tricloroetilideno) bis [4-metoxi|Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-methoxy-|BRN 2057367|Caswell No https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020827 https://doi.org/10.22427/NTP-DATA-DTXSID9020827
ARPathway2016 ARPathway2016_262 Methoxychlor 72-43-5 DTXSID9020827 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Antagonist Model Score 0.0429 Unitless COC1=CC=C(C=C1)C(C1=CC=C(OC)C=C1)C(Cl)(Cl)Cl Methoxychlor 72-43-5|Methoxychlor|1,1-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1-Bis(p-methoxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichlor-2,2-bis(4-methoxy-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-anisyl)ethane|1,1,1-trichloro-2,2-bis(p-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-di(4-methoxyphenyl)ethane|1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-methoxybenzene)|1,1'-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-methoxybenzene]|2,2-Bis(4-methoxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-anisyl)-1,1,1-trichloroethane|2,2-Bis(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-p-anisyl-1,1,1-trichloroethane|2,2-di(p-methoxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-methoxyphenyl)ethane|4,4-(2,2,2-Trichloroethylidene)dianisole|4,4'-(2,2,2-Trichloroethylidene)dianisole|Benceno, 1,1 '- (2,2,2-tricloroetilideno) bis [4-metoxi|Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-methoxy-|BRN 2057367|Caswell No https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020827 https://doi.org/10.22427/NTP-DATA-DTXSID9020827
ARPathway2016 ARPathway2016_262 Methoxychlor 72-43-5 DTXSID9020827 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(C=C1)C(C1=CC=C(OC)C=C1)C(Cl)(Cl)Cl Methoxychlor 72-43-5|Methoxychlor|1,1-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1-Bis(p-methoxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichlor-2,2-bis(4-methoxy-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-anisyl)ethane|1,1,1-trichloro-2,2-bis(p-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-di(4-methoxyphenyl)ethane|1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-methoxybenzene)|1,1'-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-methoxybenzene]|2,2-Bis(4-methoxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-anisyl)-1,1,1-trichloroethane|2,2-Bis(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-p-anisyl-1,1,1-trichloroethane|2,2-di(p-methoxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-methoxyphenyl)ethane|4,4-(2,2,2-Trichloroethylidene)dianisole|4,4'-(2,2,2-Trichloroethylidene)dianisole|Benceno, 1,1 '- (2,2,2-tricloroetilideno) bis [4-metoxi|Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-methoxy-|BRN 2057367|Caswell No https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020827 https://doi.org/10.22427/NTP-DATA-DTXSID9020827
ARPathway2016 ARPathway2016_262 Methoxychlor 72-43-5 DTXSID9020827 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist Call Active Unitless COC1=CC=C(C=C1)C(C1=CC=C(OC)C=C1)C(Cl)(Cl)Cl Methoxychlor 72-43-5|Methoxychlor|1,1-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1-Bis(p-methoxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichlor-2,2-bis(4-methoxy-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-anisyl)ethane|1,1,1-trichloro-2,2-bis(p-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-di(4-methoxyphenyl)ethane|1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-methoxybenzene)|1,1'-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-methoxybenzene]|2,2-Bis(4-methoxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-anisyl)-1,1,1-trichloroethane|2,2-Bis(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-p-anisyl-1,1,1-trichloroethane|2,2-di(p-methoxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-methoxyphenyl)ethane|4,4-(2,2,2-Trichloroethylidene)dianisole|4,4'-(2,2,2-Trichloroethylidene)dianisole|Benceno, 1,1 '- (2,2,2-tricloroetilideno) bis [4-metoxi|Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-methoxy-|BRN 2057367|Caswell No https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020827 https://doi.org/10.22427/NTP-DATA-DTXSID9020827
ARPathway2016 ARPathway2016_262 Methoxychlor 72-43-5 DTXSID9020827 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(C=C1)C(C1=CC=C(OC)C=C1)C(Cl)(Cl)Cl Methoxychlor 72-43-5|Methoxychlor|1,1-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1-Bis(p-methoxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichlor-2,2-bis(4-methoxy-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-anisyl)ethane|1,1,1-trichloro-2,2-bis(p-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-di(4-methoxyphenyl)ethane|1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-methoxybenzene)|1,1'-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-methoxybenzene]|2,2-Bis(4-methoxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-anisyl)-1,1,1-trichloroethane|2,2-Bis(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-p-anisyl-1,1,1-trichloroethane|2,2-di(p-methoxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-methoxyphenyl)ethane|4,4-(2,2,2-Trichloroethylidene)dianisole|4,4'-(2,2,2-Trichloroethylidene)dianisole|Benceno, 1,1 '- (2,2,2-tricloroetilideno) bis [4-metoxi|Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-methoxy-|BRN 2057367|Caswell No https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020827 https://doi.org/10.22427/NTP-DATA-DTXSID9020827
ERPathway2016 ERPathway2016_188 Methoxychlor 72-43-5 DTXSID9020827 Agonist ER Pathway Model, Antagonist AC50 3.98935533373292 uM COC1=CC=C(C=C1)C(C1=CC=C(OC)C=C1)C(Cl)(Cl)Cl Methoxychlor 72-43-5|Methoxychlor|1,1-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1-Bis(p-methoxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichlor-2,2-bis(4-methoxy-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-anisyl)ethane|1,1,1-trichloro-2,2-bis(p-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-di(4-methoxyphenyl)ethane|1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-methoxybenzene)|1,1'-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-methoxybenzene]|2,2-Bis(4-methoxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-anisyl)-1,1,1-trichloroethane|2,2-Bis(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-p-anisyl-1,1,1-trichloroethane|2,2-di(p-methoxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-methoxyphenyl)ethane|4,4-(2,2,2-Trichloroethylidene)dianisole|4,4'-(2,2,2-Trichloroethylidene)dianisole|Benceno, 1,1 '- (2,2,2-tricloroetilideno) bis [4-metoxi|Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-methoxy-|BRN 2057367|Caswell No https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020827 https://doi.org/10.22427/NTP-DATA-DTXSID9020827
ERPathway2016 ERPathway2016_188 Methoxychlor 72-43-5 DTXSID9020827 Agonist ER Pathway Model, Antagonist ACC 2.52513307673525 uM COC1=CC=C(C=C1)C(C1=CC=C(OC)C=C1)C(Cl)(Cl)Cl Methoxychlor 72-43-5|Methoxychlor|1,1-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1-Bis(p-methoxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichlor-2,2-bis(4-methoxy-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-anisyl)ethane|1,1,1-trichloro-2,2-bis(p-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-di(4-methoxyphenyl)ethane|1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-methoxybenzene)|1,1'-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-methoxybenzene]|2,2-Bis(4-methoxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-anisyl)-1,1,1-trichloroethane|2,2-Bis(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-p-anisyl-1,1,1-trichloroethane|2,2-di(p-methoxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-methoxyphenyl)ethane|4,4-(2,2,2-Trichloroethylidene)dianisole|4,4'-(2,2,2-Trichloroethylidene)dianisole|Benceno, 1,1 '- (2,2,2-tricloroetilideno) bis [4-metoxi|Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-methoxy-|BRN 2057367|Caswell No https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020827 https://doi.org/10.22427/NTP-DATA-DTXSID9020827
ERPathway2016 ERPathway2016_188 Methoxychlor 72-43-5 DTXSID9020827 Agonist ER Pathway Model, Agonist Model Score 0.254 Unitless COC1=CC=C(C=C1)C(C1=CC=C(OC)C=C1)C(Cl)(Cl)Cl Methoxychlor 72-43-5|Methoxychlor|1,1-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1-Bis(p-methoxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichlor-2,2-bis(4-methoxy-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-anisyl)ethane|1,1,1-trichloro-2,2-bis(p-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-di(4-methoxyphenyl)ethane|1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-methoxybenzene)|1,1'-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-methoxybenzene]|2,2-Bis(4-methoxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-anisyl)-1,1,1-trichloroethane|2,2-Bis(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-p-anisyl-1,1,1-trichloroethane|2,2-di(p-methoxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-methoxyphenyl)ethane|4,4-(2,2,2-Trichloroethylidene)dianisole|4,4'-(2,2,2-Trichloroethylidene)dianisole|Benceno, 1,1 '- (2,2,2-tricloroetilideno) bis [4-metoxi|Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-methoxy-|BRN 2057367|Caswell No https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020827 https://doi.org/10.22427/NTP-DATA-DTXSID9020827
ERPathway2016 ERPathway2016_188 Methoxychlor 72-43-5 DTXSID9020827 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(C=C1)C(C1=CC=C(OC)C=C1)C(Cl)(Cl)Cl Methoxychlor 72-43-5|Methoxychlor|1,1-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1-Bis(p-methoxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichlor-2,2-bis(4-methoxy-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-anisyl)ethane|1,1,1-trichloro-2,2-bis(p-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-di(4-methoxyphenyl)ethane|1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-methoxybenzene)|1,1'-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-methoxybenzene]|2,2-Bis(4-methoxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-anisyl)-1,1,1-trichloroethane|2,2-Bis(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-p-anisyl-1,1,1-trichloroethane|2,2-di(p-methoxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-methoxyphenyl)ethane|4,4-(2,2,2-Trichloroethylidene)dianisole|4,4'-(2,2,2-Trichloroethylidene)dianisole|Benceno, 1,1 '- (2,2,2-tricloroetilideno) bis [4-metoxi|Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-methoxy-|BRN 2057367|Caswell No https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020827 https://doi.org/10.22427/NTP-DATA-DTXSID9020827
ERPathway2016 ERPathway2016_188 Methoxychlor 72-43-5 DTXSID9020827 Agonist ER Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(C=C1)C(C1=CC=C(OC)C=C1)C(Cl)(Cl)Cl Methoxychlor 72-43-5|Methoxychlor|1,1-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1-Bis(p-methoxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichlor-2,2-bis(4-methoxy-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-anisyl)ethane|1,1,1-trichloro-2,2-bis(p-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-di(4-methoxyphenyl)ethane|1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-methoxybenzene)|1,1'-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-methoxybenzene]|2,2-Bis(4-methoxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-anisyl)-1,1,1-trichloroethane|2,2-Bis(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-p-anisyl-1,1,1-trichloroethane|2,2-di(p-methoxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-methoxyphenyl)ethane|4,4-(2,2,2-Trichloroethylidene)dianisole|4,4'-(2,2,2-Trichloroethylidene)dianisole|Benceno, 1,1 '- (2,2,2-tricloroetilideno) bis [4-metoxi|Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-methoxy-|BRN 2057367|Caswell No https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020827 https://doi.org/10.22427/NTP-DATA-DTXSID9020827
ERPathway2016 ERPathway2016_188 Methoxychlor 72-43-5 DTXSID9020827 Agonist ER Pathway Model, Antagonist Call Active Unitless COC1=CC=C(C=C1)C(C1=CC=C(OC)C=C1)C(Cl)(Cl)Cl Methoxychlor 72-43-5|Methoxychlor|1,1-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1-Bis(p-methoxyphenyl)-2,2,2-trichloroethane|1,1,1-Trichlor-2,2-bis(4-methoxy-phenyl)-aethan|1,1,1-Trichloro-2,2-bis(4-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-bis(p-anisyl)ethane|1,1,1-trichloro-2,2-bis(p-methoxyphenyl)ethane|1,1,1-Trichloro-2,2-di(4-methoxyphenyl)ethane|1,1'-(2,2,2-Trichloroethane-1,1-diyl)bis(4-methoxybenzene)|1,1'-(2,2,2-Trichloroethylidene)bis(4-methoxybenzene)|1,1'-(2,2,2-trichloroethylidene)bis[4-methoxybenzene]|2,2-Bis(4-methoxyphenyl)-1,1,1-trichloroethane|2,2-bis(p-anisyl)-1,1,1-trichloroethane|2,2-Bis(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-(p-methoxyphenyl)-1,1,1-trichloroethane|2,2-Di-p-anisyl-1,1,1-trichloroethane|2,2-di(p-methoxyphenyl)-1,1,1-trichloroethane|2,2,2-Trichloro-1,1-bis(4-methoxyphenyl)ethane|4,4-(2,2,2-Trichloroethylidene)dianisole|4,4'-(2,2,2-Trichloroethylidene)dianisole|Benceno, 1,1 '- (2,2,2-tricloroetilideno) bis [4-metoxi|Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-methoxy-|BRN 2057367|Caswell No https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020827 https://doi.org/10.22427/NTP-DATA-DTXSID9020827
ARPathway2016 ARPathway2016_910 Methoxyfenozide 161050-58-4 DTXSID3032628 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=CC(C(=O)NN(C(=O)C2=CC(C)=CC(C)=C2)C(C)(C)C)=C1C Methoxyfenozide 161050-58-4|Methoxyfenozide|3-methoxy-2-methylbenzoic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide|3,5-Dimethylbenzoic acid N-tert-butyl-N-(3-methoxy-2- methylbenzoyl)hydrazide|Benzoic acid, 3-methoxy-2-methyl-, 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide|Intrepid|Methoxyphenozide|N-tert-butyl-N'-(3-methoxy-o-toluoyl)-3,5-xylohydrazide|N'-(tert-butyl)-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide|RH 2485|RH-112485|RH-2485|UNII-62A22651ZX|163442-56-6|468062-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032628
ARPathway2016 ARPathway2016_910 Methoxyfenozide 161050-58-4 DTXSID3032628 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC=CC(C(=O)NN(C(=O)C2=CC(C)=CC(C)=C2)C(C)(C)C)=C1C Methoxyfenozide 161050-58-4|Methoxyfenozide|3-methoxy-2-methylbenzoic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide|3,5-Dimethylbenzoic acid N-tert-butyl-N-(3-methoxy-2- methylbenzoyl)hydrazide|Benzoic acid, 3-methoxy-2-methyl-, 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide|Intrepid|Methoxyphenozide|N-tert-butyl-N'-(3-methoxy-o-toluoyl)-3,5-xylohydrazide|N'-(tert-butyl)-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide|RH 2485|RH-112485|RH-2485|UNII-62A22651ZX|163442-56-6|468062-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032628
ARPathway2016 ARPathway2016_910 Methoxyfenozide 161050-58-4 DTXSID3032628 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC=CC(C(=O)NN(C(=O)C2=CC(C)=CC(C)=C2)C(C)(C)C)=C1C Methoxyfenozide 161050-58-4|Methoxyfenozide|3-methoxy-2-methylbenzoic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide|3,5-Dimethylbenzoic acid N-tert-butyl-N-(3-methoxy-2- methylbenzoyl)hydrazide|Benzoic acid, 3-methoxy-2-methyl-, 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide|Intrepid|Methoxyphenozide|N-tert-butyl-N'-(3-methoxy-o-toluoyl)-3,5-xylohydrazide|N'-(tert-butyl)-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide|RH 2485|RH-112485|RH-2485|UNII-62A22651ZX|163442-56-6|468062-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032628
ARPathway2016 ARPathway2016_910 Methoxyfenozide 161050-58-4 DTXSID3032628 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC=CC(C(=O)NN(C(=O)C2=CC(C)=CC(C)=C2)C(C)(C)C)=C1C Methoxyfenozide 161050-58-4|Methoxyfenozide|3-methoxy-2-methylbenzoic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide|3,5-Dimethylbenzoic acid N-tert-butyl-N-(3-methoxy-2- methylbenzoyl)hydrazide|Benzoic acid, 3-methoxy-2-methyl-, 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide|Intrepid|Methoxyphenozide|N-tert-butyl-N'-(3-methoxy-o-toluoyl)-3,5-xylohydrazide|N'-(tert-butyl)-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide|RH 2485|RH-112485|RH-2485|UNII-62A22651ZX|163442-56-6|468062-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032628
ERPathway2016 ERPathway2016_1333 Methoxyfenozide 161050-58-4 DTXSID3032628 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC=CC(C(=O)NN(C(=O)C2=CC(C)=CC(C)=C2)C(C)(C)C)=C1C Methoxyfenozide 161050-58-4|Methoxyfenozide|3-methoxy-2-methylbenzoic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide|3,5-Dimethylbenzoic acid N-tert-butyl-N-(3-methoxy-2- methylbenzoyl)hydrazide|Benzoic acid, 3-methoxy-2-methyl-, 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide|Intrepid|Methoxyphenozide|N-tert-butyl-N'-(3-methoxy-o-toluoyl)-3,5-xylohydrazide|N'-(tert-butyl)-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide|RH 2485|RH-112485|RH-2485|UNII-62A22651ZX|163442-56-6|468062-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032628
ERPathway2016 ERPathway2016_1333 Methoxyfenozide 161050-58-4 DTXSID3032628 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=CC(C(=O)NN(C(=O)C2=CC(C)=CC(C)=C2)C(C)(C)C)=C1C Methoxyfenozide 161050-58-4|Methoxyfenozide|3-methoxy-2-methylbenzoic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide|3,5-Dimethylbenzoic acid N-tert-butyl-N-(3-methoxy-2- methylbenzoyl)hydrazide|Benzoic acid, 3-methoxy-2-methyl-, 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide|Intrepid|Methoxyphenozide|N-tert-butyl-N'-(3-methoxy-o-toluoyl)-3,5-xylohydrazide|N'-(tert-butyl)-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide|RH 2485|RH-112485|RH-2485|UNII-62A22651ZX|163442-56-6|468062-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032628
ERPathway2016 ERPathway2016_1333 Methoxyfenozide 161050-58-4 DTXSID3032628 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC=CC(C(=O)NN(C(=O)C2=CC(C)=CC(C)=C2)C(C)(C)C)=C1C Methoxyfenozide 161050-58-4|Methoxyfenozide|3-methoxy-2-methylbenzoic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide|3,5-Dimethylbenzoic acid N-tert-butyl-N-(3-methoxy-2- methylbenzoyl)hydrazide|Benzoic acid, 3-methoxy-2-methyl-, 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide|Intrepid|Methoxyphenozide|N-tert-butyl-N'-(3-methoxy-o-toluoyl)-3,5-xylohydrazide|N'-(tert-butyl)-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide|RH 2485|RH-112485|RH-2485|UNII-62A22651ZX|163442-56-6|468062-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032628
ERPathway2016 ERPathway2016_1333 Methoxyfenozide 161050-58-4 DTXSID3032628 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC=CC(C(=O)NN(C(=O)C2=CC(C)=CC(C)=C2)C(C)(C)C)=C1C Methoxyfenozide 161050-58-4|Methoxyfenozide|3-methoxy-2-methylbenzoic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide|3,5-Dimethylbenzoic acid N-tert-butyl-N-(3-methoxy-2- methylbenzoyl)hydrazide|Benzoic acid, 3-methoxy-2-methyl-, 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide|Intrepid|Methoxyphenozide|N-tert-butyl-N'-(3-methoxy-o-toluoyl)-3,5-xylohydrazide|N'-(tert-butyl)-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide|RH 2485|RH-112485|RH-2485|UNII-62A22651ZX|163442-56-6|468062-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032628
ARPathway2016 ARPathway2016_346 Methyl (9Z,12Z)-octadecadienoate 112-63-0 DTXSID7020843 1.0 Agonist AR Pathway Model, Antagonist ACC 9.515401729 uM CCCCCC=C/CC=C/CCCCCCCC(=O)OC Methyl (9Z,12Z)-octadecadienoate 112-63-0|Methyl (9Z,12Z)-octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid methyl ester|(9Z,12Z)-Octadecadienoic acid methyl ester|(Z,Z)-9,12-Octadecadienoic acid methyl ester|1-O-methyl (9Z,12Z)-octadecadienoate|9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester|9,12-Octadecadienoic acid (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, methyl ester, (Z,Z)-|EINECS 203-993-0|FAME C18:2|Linoleate de methyle|linoleato de metilo|linoleic acid methyl ester|Linoleic acid, methyl ester|Linoleic acid,methyl ester|Methyl (Z,Z)-9,12-octadecadienoate|Methyl 9-cis,12-cis-octadecadienoate|Methyl cis-9,cis-12 linoleate|Methyl cis-9,cis-12-octadecadienoate|Methyl cis,cis-9,12-octadecadienoate|Methyl linoleate|Methyl linoleate, native|Methyl octadec-9,12-dienoate|Methyl octadecadienoate|Methyllinoleat|NSC 93981|UNII-24N6726DE5|1198018-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020843
ARPathway2016 ARPathway2016_346 Methyl (9Z,12Z)-octadecadienoate 112-63-0 DTXSID7020843 1.0 Agonist AR Pathway Model, Antagonist AC50 14.19883732 uM CCCCCC=C/CC=C/CCCCCCCC(=O)OC Methyl (9Z,12Z)-octadecadienoate 112-63-0|Methyl (9Z,12Z)-octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid methyl ester|(9Z,12Z)-Octadecadienoic acid methyl ester|(Z,Z)-9,12-Octadecadienoic acid methyl ester|1-O-methyl (9Z,12Z)-octadecadienoate|9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester|9,12-Octadecadienoic acid (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, methyl ester, (Z,Z)-|EINECS 203-993-0|FAME C18:2|Linoleate de methyle|linoleato de metilo|linoleic acid methyl ester|Linoleic acid, methyl ester|Linoleic acid,methyl ester|Methyl (Z,Z)-9,12-octadecadienoate|Methyl 9-cis,12-cis-octadecadienoate|Methyl cis-9,cis-12 linoleate|Methyl cis-9,cis-12-octadecadienoate|Methyl cis,cis-9,12-octadecadienoate|Methyl linoleate|Methyl linoleate, native|Methyl octadec-9,12-dienoate|Methyl octadecadienoate|Methyllinoleat|NSC 93981|UNII-24N6726DE5|1198018-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020843
ARPathway2016 ARPathway2016_346 Methyl (9Z,12Z)-octadecadienoate 112-63-0 DTXSID7020843 1.0 Agonist AR Pathway Model, Antagonist Model Score 0.0813 Unitless CCCCCC=C/CC=C/CCCCCCCC(=O)OC Methyl (9Z,12Z)-octadecadienoate 112-63-0|Methyl (9Z,12Z)-octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid methyl ester|(9Z,12Z)-Octadecadienoic acid methyl ester|(Z,Z)-9,12-Octadecadienoic acid methyl ester|1-O-methyl (9Z,12Z)-octadecadienoate|9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester|9,12-Octadecadienoic acid (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, methyl ester, (Z,Z)-|EINECS 203-993-0|FAME C18:2|Linoleate de methyle|linoleato de metilo|linoleic acid methyl ester|Linoleic acid, methyl ester|Linoleic acid,methyl ester|Methyl (Z,Z)-9,12-octadecadienoate|Methyl 9-cis,12-cis-octadecadienoate|Methyl cis-9,cis-12 linoleate|Methyl cis-9,cis-12-octadecadienoate|Methyl cis,cis-9,12-octadecadienoate|Methyl linoleate|Methyl linoleate, native|Methyl octadec-9,12-dienoate|Methyl octadecadienoate|Methyllinoleat|NSC 93981|UNII-24N6726DE5|1198018-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020843
ARPathway2016 ARPathway2016_346 Methyl (9Z,12Z)-octadecadienoate 112-63-0 DTXSID7020843 1.0 Agonist AR Pathway Model, Agonist Model Score 0.17 Unitless CCCCCC=C/CC=C/CCCCCCCC(=O)OC Methyl (9Z,12Z)-octadecadienoate 112-63-0|Methyl (9Z,12Z)-octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid methyl ester|(9Z,12Z)-Octadecadienoic acid methyl ester|(Z,Z)-9,12-Octadecadienoic acid methyl ester|1-O-methyl (9Z,12Z)-octadecadienoate|9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester|9,12-Octadecadienoic acid (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, methyl ester, (Z,Z)-|EINECS 203-993-0|FAME C18:2|Linoleate de methyle|linoleato de metilo|linoleic acid methyl ester|Linoleic acid, methyl ester|Linoleic acid,methyl ester|Methyl (Z,Z)-9,12-octadecadienoate|Methyl 9-cis,12-cis-octadecadienoate|Methyl cis-9,cis-12 linoleate|Methyl cis-9,cis-12-octadecadienoate|Methyl cis,cis-9,12-octadecadienoate|Methyl linoleate|Methyl linoleate, native|Methyl octadec-9,12-dienoate|Methyl octadecadienoate|Methyllinoleat|NSC 93981|UNII-24N6726DE5|1198018-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020843
ARPathway2016 ARPathway2016_346 Methyl (9Z,12Z)-octadecadienoate 112-63-0 DTXSID7020843 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless CCCCCC=C/CC=C/CCCCCCCC(=O)OC Methyl (9Z,12Z)-octadecadienoate 112-63-0|Methyl (9Z,12Z)-octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid methyl ester|(9Z,12Z)-Octadecadienoic acid methyl ester|(Z,Z)-9,12-Octadecadienoic acid methyl ester|1-O-methyl (9Z,12Z)-octadecadienoate|9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester|9,12-Octadecadienoic acid (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, methyl ester, (Z,Z)-|EINECS 203-993-0|FAME C18:2|Linoleate de methyle|linoleato de metilo|linoleic acid methyl ester|Linoleic acid, methyl ester|Linoleic acid,methyl ester|Methyl (Z,Z)-9,12-octadecadienoate|Methyl 9-cis,12-cis-octadecadienoate|Methyl cis-9,cis-12 linoleate|Methyl cis-9,cis-12-octadecadienoate|Methyl cis,cis-9,12-octadecadienoate|Methyl linoleate|Methyl linoleate, native|Methyl octadec-9,12-dienoate|Methyl octadecadienoate|Methyllinoleat|NSC 93981|UNII-24N6726DE5|1198018-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020843
ARPathway2016 ARPathway2016_346 Methyl (9Z,12Z)-octadecadienoate 112-63-0 DTXSID7020843 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless CCCCCC=C/CC=C/CCCCCCCC(=O)OC Methyl (9Z,12Z)-octadecadienoate 112-63-0|Methyl (9Z,12Z)-octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid methyl ester|(9Z,12Z)-Octadecadienoic acid methyl ester|(Z,Z)-9,12-Octadecadienoic acid methyl ester|1-O-methyl (9Z,12Z)-octadecadienoate|9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester|9,12-Octadecadienoic acid (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, methyl ester, (Z,Z)-|EINECS 203-993-0|FAME C18:2|Linoleate de methyle|linoleato de metilo|linoleic acid methyl ester|Linoleic acid, methyl ester|Linoleic acid,methyl ester|Methyl (Z,Z)-9,12-octadecadienoate|Methyl 9-cis,12-cis-octadecadienoate|Methyl cis-9,cis-12 linoleate|Methyl cis-9,cis-12-octadecadienoate|Methyl cis,cis-9,12-octadecadienoate|Methyl linoleate|Methyl linoleate, native|Methyl octadec-9,12-dienoate|Methyl octadecadienoate|Methyllinoleat|NSC 93981|UNII-24N6726DE5|1198018-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020843
ERPathway2016 ERPathway2016_636 Methyl (9Z,12Z)-octadecadienoate 112-63-0 DTXSID7020843 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCC=C/CC=C/CCCCCCCC(=O)OC Methyl (9Z,12Z)-octadecadienoate 112-63-0|Methyl (9Z,12Z)-octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid methyl ester|(9Z,12Z)-Octadecadienoic acid methyl ester|(Z,Z)-9,12-Octadecadienoic acid methyl ester|1-O-methyl (9Z,12Z)-octadecadienoate|9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester|9,12-Octadecadienoic acid (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, methyl ester, (Z,Z)-|EINECS 203-993-0|FAME C18:2|Linoleate de methyle|linoleato de metilo|linoleic acid methyl ester|Linoleic acid, methyl ester|Linoleic acid,methyl ester|Methyl (Z,Z)-9,12-octadecadienoate|Methyl 9-cis,12-cis-octadecadienoate|Methyl cis-9,cis-12 linoleate|Methyl cis-9,cis-12-octadecadienoate|Methyl cis,cis-9,12-octadecadienoate|Methyl linoleate|Methyl linoleate, native|Methyl octadec-9,12-dienoate|Methyl octadecadienoate|Methyllinoleat|NSC 93981|UNII-24N6726DE5|1198018-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020843
ERPathway2016 ERPathway2016_636 Methyl (9Z,12Z)-octadecadienoate 112-63-0 DTXSID7020843 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCC=C/CC=C/CCCCCCCC(=O)OC Methyl (9Z,12Z)-octadecadienoate 112-63-0|Methyl (9Z,12Z)-octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid methyl ester|(9Z,12Z)-Octadecadienoic acid methyl ester|(Z,Z)-9,12-Octadecadienoic acid methyl ester|1-O-methyl (9Z,12Z)-octadecadienoate|9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester|9,12-Octadecadienoic acid (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, methyl ester, (Z,Z)-|EINECS 203-993-0|FAME C18:2|Linoleate de methyle|linoleato de metilo|linoleic acid methyl ester|Linoleic acid, methyl ester|Linoleic acid,methyl ester|Methyl (Z,Z)-9,12-octadecadienoate|Methyl 9-cis,12-cis-octadecadienoate|Methyl cis-9,cis-12 linoleate|Methyl cis-9,cis-12-octadecadienoate|Methyl cis,cis-9,12-octadecadienoate|Methyl linoleate|Methyl linoleate, native|Methyl octadec-9,12-dienoate|Methyl octadecadienoate|Methyllinoleat|NSC 93981|UNII-24N6726DE5|1198018-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020843
ERPathway2016 ERPathway2016_636 Methyl (9Z,12Z)-octadecadienoate 112-63-0 DTXSID7020843 ER Pathway Model, Agonist Call Inactive Unitless CCCCCC=C/CC=C/CCCCCCCC(=O)OC Methyl (9Z,12Z)-octadecadienoate 112-63-0|Methyl (9Z,12Z)-octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid methyl ester|(9Z,12Z)-Octadecadienoic acid methyl ester|(Z,Z)-9,12-Octadecadienoic acid methyl ester|1-O-methyl (9Z,12Z)-octadecadienoate|9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester|9,12-Octadecadienoic acid (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, methyl ester, (Z,Z)-|EINECS 203-993-0|FAME C18:2|Linoleate de methyle|linoleato de metilo|linoleic acid methyl ester|Linoleic acid, methyl ester|Linoleic acid,methyl ester|Methyl (Z,Z)-9,12-octadecadienoate|Methyl 9-cis,12-cis-octadecadienoate|Methyl cis-9,cis-12 linoleate|Methyl cis-9,cis-12-octadecadienoate|Methyl cis,cis-9,12-octadecadienoate|Methyl linoleate|Methyl linoleate, native|Methyl octadec-9,12-dienoate|Methyl octadecadienoate|Methyllinoleat|NSC 93981|UNII-24N6726DE5|1198018-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020843
ERPathway2016 ERPathway2016_636 Methyl (9Z,12Z)-octadecadienoate 112-63-0 DTXSID7020843 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCC=C/CC=C/CCCCCCCC(=O)OC Methyl (9Z,12Z)-octadecadienoate 112-63-0|Methyl (9Z,12Z)-octadecadienoate|(9Z,12Z)-9,12-Octadecadienoic acid methyl ester|(9Z,12Z)-Octadecadienoic acid methyl ester|(Z,Z)-9,12-Octadecadienoic acid methyl ester|1-O-methyl (9Z,12Z)-octadecadienoate|9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester|9,12-Octadecadienoic acid (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, (Z,Z)-, methyl ester|9,12-Octadecadienoic acid, methyl ester, (Z,Z)-|EINECS 203-993-0|FAME C18:2|Linoleate de methyle|linoleato de metilo|linoleic acid methyl ester|Linoleic acid, methyl ester|Linoleic acid,methyl ester|Methyl (Z,Z)-9,12-octadecadienoate|Methyl 9-cis,12-cis-octadecadienoate|Methyl cis-9,cis-12 linoleate|Methyl cis-9,cis-12-octadecadienoate|Methyl cis,cis-9,12-octadecadienoate|Methyl linoleate|Methyl linoleate, native|Methyl octadec-9,12-dienoate|Methyl octadecadienoate|Methyllinoleat|NSC 93981|UNII-24N6726DE5|1198018-53-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020843
ARPathway2016 ARPathway2016_796 Methyl 2-aminobenzoate 134-20-3 DTXSID6025567 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=C(N)C=CC=C1 Methyl 2-aminobenzoate 134-20-3|Methyl 2-aminobenzoate|[2-(Methoxycarbonyl)phenyl]amine|2-(Methoxycarbonyl)aniline|2-Aminobenzoic acid methyl ester|2-Carbomethoxyaniline|205-132-4|Amino methyl benzoate, o-|Anthranilate de methyle|ANTHRANILATE, METHYL|Anthranilic acid methyl ester|Anthranilic acid, methyl ester|ANTHRANILSAEURE-METHYLESTER|antranilato de metilo|Benzoic acid, 2-amino-, methyl ester|Bird Shield|BRN 0606965|EC No.: 205-132-4|EINECS 205-132-4|Epa Pesticide Chemical Code 128725|FEMA No. 2682|Methyl 6-aminobenzoate|Methyl anthranilate|Methyl o-aminobenzoate|Methylanthranilat|Methylanthranilate|Methylester kyseliny anthranilove|Neroli oil, artifical|Neroli oil, artificial|Nevoli oil|NSC 3109|o-(Methoxycarbonyl)aniline|o-Aminobenzoic acid methyl ester|o-Carbomethoxyaniline|O-methyl anthranilate|P.C. Code 128725|PC Code 128725|ReJex-iT|Rejex-iT AP 50|Rejex-iT TP 40|Sunarome UVA|UNII-981I0C1E5W https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025567 https://doi.org/10.22427/NTP-DATA-DTXSID6025567
ARPathway2016 ARPathway2016_796 Methyl 2-aminobenzoate 134-20-3 DTXSID6025567 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=C(N)C=CC=C1 Methyl 2-aminobenzoate 134-20-3|Methyl 2-aminobenzoate|[2-(Methoxycarbonyl)phenyl]amine|2-(Methoxycarbonyl)aniline|2-Aminobenzoic acid methyl ester|2-Carbomethoxyaniline|205-132-4|Amino methyl benzoate, o-|Anthranilate de methyle|ANTHRANILATE, METHYL|Anthranilic acid methyl ester|Anthranilic acid, methyl ester|ANTHRANILSAEURE-METHYLESTER|antranilato de metilo|Benzoic acid, 2-amino-, methyl ester|Bird Shield|BRN 0606965|EC No.: 205-132-4|EINECS 205-132-4|Epa Pesticide Chemical Code 128725|FEMA No. 2682|Methyl 6-aminobenzoate|Methyl anthranilate|Methyl o-aminobenzoate|Methylanthranilat|Methylanthranilate|Methylester kyseliny anthranilove|Neroli oil, artifical|Neroli oil, artificial|Nevoli oil|NSC 3109|o-(Methoxycarbonyl)aniline|o-Aminobenzoic acid methyl ester|o-Carbomethoxyaniline|O-methyl anthranilate|P.C. Code 128725|PC Code 128725|ReJex-iT|Rejex-iT AP 50|Rejex-iT TP 40|Sunarome UVA|UNII-981I0C1E5W https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025567 https://doi.org/10.22427/NTP-DATA-DTXSID6025567
ARPathway2016 ARPathway2016_796 Methyl 2-aminobenzoate 134-20-3 DTXSID6025567 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=C(N)C=CC=C1 Methyl 2-aminobenzoate 134-20-3|Methyl 2-aminobenzoate|[2-(Methoxycarbonyl)phenyl]amine|2-(Methoxycarbonyl)aniline|2-Aminobenzoic acid methyl ester|2-Carbomethoxyaniline|205-132-4|Amino methyl benzoate, o-|Anthranilate de methyle|ANTHRANILATE, METHYL|Anthranilic acid methyl ester|Anthranilic acid, methyl ester|ANTHRANILSAEURE-METHYLESTER|antranilato de metilo|Benzoic acid, 2-amino-, methyl ester|Bird Shield|BRN 0606965|EC No.: 205-132-4|EINECS 205-132-4|Epa Pesticide Chemical Code 128725|FEMA No. 2682|Methyl 6-aminobenzoate|Methyl anthranilate|Methyl o-aminobenzoate|Methylanthranilat|Methylanthranilate|Methylester kyseliny anthranilove|Neroli oil, artifical|Neroli oil, artificial|Nevoli oil|NSC 3109|o-(Methoxycarbonyl)aniline|o-Aminobenzoic acid methyl ester|o-Carbomethoxyaniline|O-methyl anthranilate|P.C. Code 128725|PC Code 128725|ReJex-iT|Rejex-iT AP 50|Rejex-iT TP 40|Sunarome UVA|UNII-981I0C1E5W https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025567 https://doi.org/10.22427/NTP-DATA-DTXSID6025567
ARPathway2016 ARPathway2016_796 Methyl 2-aminobenzoate 134-20-3 DTXSID6025567 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=C(N)C=CC=C1 Methyl 2-aminobenzoate 134-20-3|Methyl 2-aminobenzoate|[2-(Methoxycarbonyl)phenyl]amine|2-(Methoxycarbonyl)aniline|2-Aminobenzoic acid methyl ester|2-Carbomethoxyaniline|205-132-4|Amino methyl benzoate, o-|Anthranilate de methyle|ANTHRANILATE, METHYL|Anthranilic acid methyl ester|Anthranilic acid, methyl ester|ANTHRANILSAEURE-METHYLESTER|antranilato de metilo|Benzoic acid, 2-amino-, methyl ester|Bird Shield|BRN 0606965|EC No.: 205-132-4|EINECS 205-132-4|Epa Pesticide Chemical Code 128725|FEMA No. 2682|Methyl 6-aminobenzoate|Methyl anthranilate|Methyl o-aminobenzoate|Methylanthranilat|Methylanthranilate|Methylester kyseliny anthranilove|Neroli oil, artifical|Neroli oil, artificial|Nevoli oil|NSC 3109|o-(Methoxycarbonyl)aniline|o-Aminobenzoic acid methyl ester|o-Carbomethoxyaniline|O-methyl anthranilate|P.C. Code 128725|PC Code 128725|ReJex-iT|Rejex-iT AP 50|Rejex-iT TP 40|Sunarome UVA|UNII-981I0C1E5W https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025567 https://doi.org/10.22427/NTP-DATA-DTXSID6025567
ERPathway2016 ERPathway2016_1280 Methyl 2-aminobenzoate 134-20-3 DTXSID6025567 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=C(N)C=CC=C1 Methyl 2-aminobenzoate 134-20-3|Methyl 2-aminobenzoate|[2-(Methoxycarbonyl)phenyl]amine|2-(Methoxycarbonyl)aniline|2-Aminobenzoic acid methyl ester|2-Carbomethoxyaniline|205-132-4|Amino methyl benzoate, o-|Anthranilate de methyle|ANTHRANILATE, METHYL|Anthranilic acid methyl ester|Anthranilic acid, methyl ester|ANTHRANILSAEURE-METHYLESTER|antranilato de metilo|Benzoic acid, 2-amino-, methyl ester|Bird Shield|BRN 0606965|EC No.: 205-132-4|EINECS 205-132-4|Epa Pesticide Chemical Code 128725|FEMA No. 2682|Methyl 6-aminobenzoate|Methyl anthranilate|Methyl o-aminobenzoate|Methylanthranilat|Methylanthranilate|Methylester kyseliny anthranilove|Neroli oil, artifical|Neroli oil, artificial|Nevoli oil|NSC 3109|o-(Methoxycarbonyl)aniline|o-Aminobenzoic acid methyl ester|o-Carbomethoxyaniline|O-methyl anthranilate|P.C. Code 128725|PC Code 128725|ReJex-iT|Rejex-iT AP 50|Rejex-iT TP 40|Sunarome UVA|UNII-981I0C1E5W https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025567 https://doi.org/10.22427/NTP-DATA-DTXSID6025567
ERPathway2016 ERPathway2016_1280 Methyl 2-aminobenzoate 134-20-3 DTXSID6025567 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=C(N)C=CC=C1 Methyl 2-aminobenzoate 134-20-3|Methyl 2-aminobenzoate|[2-(Methoxycarbonyl)phenyl]amine|2-(Methoxycarbonyl)aniline|2-Aminobenzoic acid methyl ester|2-Carbomethoxyaniline|205-132-4|Amino methyl benzoate, o-|Anthranilate de methyle|ANTHRANILATE, METHYL|Anthranilic acid methyl ester|Anthranilic acid, methyl ester|ANTHRANILSAEURE-METHYLESTER|antranilato de metilo|Benzoic acid, 2-amino-, methyl ester|Bird Shield|BRN 0606965|EC No.: 205-132-4|EINECS 205-132-4|Epa Pesticide Chemical Code 128725|FEMA No. 2682|Methyl 6-aminobenzoate|Methyl anthranilate|Methyl o-aminobenzoate|Methylanthranilat|Methylanthranilate|Methylester kyseliny anthranilove|Neroli oil, artifical|Neroli oil, artificial|Nevoli oil|NSC 3109|o-(Methoxycarbonyl)aniline|o-Aminobenzoic acid methyl ester|o-Carbomethoxyaniline|O-methyl anthranilate|P.C. Code 128725|PC Code 128725|ReJex-iT|Rejex-iT AP 50|Rejex-iT TP 40|Sunarome UVA|UNII-981I0C1E5W https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025567 https://doi.org/10.22427/NTP-DATA-DTXSID6025567
ERPathway2016 ERPathway2016_1280 Methyl 2-aminobenzoate 134-20-3 DTXSID6025567 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=C(N)C=CC=C1 Methyl 2-aminobenzoate 134-20-3|Methyl 2-aminobenzoate|[2-(Methoxycarbonyl)phenyl]amine|2-(Methoxycarbonyl)aniline|2-Aminobenzoic acid methyl ester|2-Carbomethoxyaniline|205-132-4|Amino methyl benzoate, o-|Anthranilate de methyle|ANTHRANILATE, METHYL|Anthranilic acid methyl ester|Anthranilic acid, methyl ester|ANTHRANILSAEURE-METHYLESTER|antranilato de metilo|Benzoic acid, 2-amino-, methyl ester|Bird Shield|BRN 0606965|EC No.: 205-132-4|EINECS 205-132-4|Epa Pesticide Chemical Code 128725|FEMA No. 2682|Methyl 6-aminobenzoate|Methyl anthranilate|Methyl o-aminobenzoate|Methylanthranilat|Methylanthranilate|Methylester kyseliny anthranilove|Neroli oil, artifical|Neroli oil, artificial|Nevoli oil|NSC 3109|o-(Methoxycarbonyl)aniline|o-Aminobenzoic acid methyl ester|o-Carbomethoxyaniline|O-methyl anthranilate|P.C. Code 128725|PC Code 128725|ReJex-iT|Rejex-iT AP 50|Rejex-iT TP 40|Sunarome UVA|UNII-981I0C1E5W https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025567 https://doi.org/10.22427/NTP-DATA-DTXSID6025567
ERPathway2016 ERPathway2016_1280 Methyl 2-aminobenzoate 134-20-3 DTXSID6025567 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=C(N)C=CC=C1 Methyl 2-aminobenzoate 134-20-3|Methyl 2-aminobenzoate|[2-(Methoxycarbonyl)phenyl]amine|2-(Methoxycarbonyl)aniline|2-Aminobenzoic acid methyl ester|2-Carbomethoxyaniline|205-132-4|Amino methyl benzoate, o-|Anthranilate de methyle|ANTHRANILATE, METHYL|Anthranilic acid methyl ester|Anthranilic acid, methyl ester|ANTHRANILSAEURE-METHYLESTER|antranilato de metilo|Benzoic acid, 2-amino-, methyl ester|Bird Shield|BRN 0606965|EC No.: 205-132-4|EINECS 205-132-4|Epa Pesticide Chemical Code 128725|FEMA No. 2682|Methyl 6-aminobenzoate|Methyl anthranilate|Methyl o-aminobenzoate|Methylanthranilat|Methylanthranilate|Methylester kyseliny anthranilove|Neroli oil, artifical|Neroli oil, artificial|Nevoli oil|NSC 3109|o-(Methoxycarbonyl)aniline|o-Aminobenzoic acid methyl ester|o-Carbomethoxyaniline|O-methyl anthranilate|P.C. Code 128725|PC Code 128725|ReJex-iT|Rejex-iT AP 50|Rejex-iT TP 40|Sunarome UVA|UNII-981I0C1E5W https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025567 https://doi.org/10.22427/NTP-DATA-DTXSID6025567
ARPathway2016 ARPathway2016_1687 Methyl 2-methylbenzoate 89-71-4 DTXSID6048208 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=C(C)C=CC=C1 Methyl 2-methylbenzoate 89-71-4|Methyl 2-methylbenzoate|EINECS 201-932-2|Methyl o-methylbenzoate|Methyl orthotoluate|NSC 9402 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048208
ARPathway2016 ARPathway2016_1687 Methyl 2-methylbenzoate 89-71-4 DTXSID6048208 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=C(C)C=CC=C1 Methyl 2-methylbenzoate 89-71-4|Methyl 2-methylbenzoate|EINECS 201-932-2|Methyl o-methylbenzoate|Methyl orthotoluate|NSC 9402 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048208
ARPathway2016 ARPathway2016_1687 Methyl 2-methylbenzoate 89-71-4 DTXSID6048208 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=C(C)C=CC=C1 Methyl 2-methylbenzoate 89-71-4|Methyl 2-methylbenzoate|EINECS 201-932-2|Methyl o-methylbenzoate|Methyl orthotoluate|NSC 9402 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048208
ARPathway2016 ARPathway2016_1687 Methyl 2-methylbenzoate 89-71-4 DTXSID6048208 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=C(C)C=CC=C1 Methyl 2-methylbenzoate 89-71-4|Methyl 2-methylbenzoate|EINECS 201-932-2|Methyl o-methylbenzoate|Methyl orthotoluate|NSC 9402 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048208
ERPathway2016 ERPathway2016_1726 Methyl 2-methylbenzoate 89-71-4 DTXSID6048208 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=C(C)C=CC=C1 Methyl 2-methylbenzoate 89-71-4|Methyl 2-methylbenzoate|EINECS 201-932-2|Methyl o-methylbenzoate|Methyl orthotoluate|NSC 9402 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048208
ERPathway2016 ERPathway2016_1726 Methyl 2-methylbenzoate 89-71-4 DTXSID6048208 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=C(C)C=CC=C1 Methyl 2-methylbenzoate 89-71-4|Methyl 2-methylbenzoate|EINECS 201-932-2|Methyl o-methylbenzoate|Methyl orthotoluate|NSC 9402 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048208
ERPathway2016 ERPathway2016_1726 Methyl 2-methylbenzoate 89-71-4 DTXSID6048208 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=C(C)C=CC=C1 Methyl 2-methylbenzoate 89-71-4|Methyl 2-methylbenzoate|EINECS 201-932-2|Methyl o-methylbenzoate|Methyl orthotoluate|NSC 9402 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048208
ERPathway2016 ERPathway2016_1726 Methyl 2-methylbenzoate 89-71-4 DTXSID6048208 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=C(C)C=CC=C1 Methyl 2-methylbenzoate 89-71-4|Methyl 2-methylbenzoate|EINECS 201-932-2|Methyl o-methylbenzoate|Methyl orthotoluate|NSC 9402 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6048208
ARPathway2016 ARPathway2016_1223 Methyl 3-methylorsellinate 4707-47-5 DTXSID9041653 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=C(O)C(C)=C(O)C=C1C Methyl 3-methylorsellinate 4707-47-5|Methyl 3-methylorsellinate|Atraric acid|Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester|beta-Resorcyclic acid, 3,6-dimethyl-, methyl ester|beta-Resorcylic acid, 3,6-dimethyl-, methyl ester|EINECS 225-193-0|Methyl 2,4-dihydroxy-3,6-dimethylbenzoate|Methyl 3,6-dimethylresorcylate|Methyl beta-resorcinolcarboxylate|136218-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041653
ARPathway2016 ARPathway2016_1223 Methyl 3-methylorsellinate 4707-47-5 DTXSID9041653 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=C(O)C(C)=C(O)C=C1C Methyl 3-methylorsellinate 4707-47-5|Methyl 3-methylorsellinate|Atraric acid|Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester|beta-Resorcyclic acid, 3,6-dimethyl-, methyl ester|beta-Resorcylic acid, 3,6-dimethyl-, methyl ester|EINECS 225-193-0|Methyl 2,4-dihydroxy-3,6-dimethylbenzoate|Methyl 3,6-dimethylresorcylate|Methyl beta-resorcinolcarboxylate|136218-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041653
ARPathway2016 ARPathway2016_1223 Methyl 3-methylorsellinate 4707-47-5 DTXSID9041653 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=C(O)C(C)=C(O)C=C1C Methyl 3-methylorsellinate 4707-47-5|Methyl 3-methylorsellinate|Atraric acid|Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester|beta-Resorcyclic acid, 3,6-dimethyl-, methyl ester|beta-Resorcylic acid, 3,6-dimethyl-, methyl ester|EINECS 225-193-0|Methyl 2,4-dihydroxy-3,6-dimethylbenzoate|Methyl 3,6-dimethylresorcylate|Methyl beta-resorcinolcarboxylate|136218-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041653
ARPathway2016 ARPathway2016_1223 Methyl 3-methylorsellinate 4707-47-5 DTXSID9041653 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=C(O)C(C)=C(O)C=C1C Methyl 3-methylorsellinate 4707-47-5|Methyl 3-methylorsellinate|Atraric acid|Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester|beta-Resorcyclic acid, 3,6-dimethyl-, methyl ester|beta-Resorcylic acid, 3,6-dimethyl-, methyl ester|EINECS 225-193-0|Methyl 2,4-dihydroxy-3,6-dimethylbenzoate|Methyl 3,6-dimethylresorcylate|Methyl beta-resorcinolcarboxylate|136218-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041653
ERPathway2016 ERPathway2016_413 Methyl 3-methylorsellinate 4707-47-5 DTXSID9041653 ER Pathway Model, Antagonist AC50 52.917044428814 uM COC(=O)C1=C(O)C(C)=C(O)C=C1C Methyl 3-methylorsellinate 4707-47-5|Methyl 3-methylorsellinate|Atraric acid|Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester|beta-Resorcyclic acid, 3,6-dimethyl-, methyl ester|beta-Resorcylic acid, 3,6-dimethyl-, methyl ester|EINECS 225-193-0|Methyl 2,4-dihydroxy-3,6-dimethylbenzoate|Methyl 3,6-dimethylresorcylate|Methyl beta-resorcinolcarboxylate|136218-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041653
ERPathway2016 ERPathway2016_413 Methyl 3-methylorsellinate 4707-47-5 DTXSID9041653 ER Pathway Model, Antagonist ACC 44.3015149331481 uM COC(=O)C1=C(O)C(C)=C(O)C=C1C Methyl 3-methylorsellinate 4707-47-5|Methyl 3-methylorsellinate|Atraric acid|Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester|beta-Resorcyclic acid, 3,6-dimethyl-, methyl ester|beta-Resorcylic acid, 3,6-dimethyl-, methyl ester|EINECS 225-193-0|Methyl 2,4-dihydroxy-3,6-dimethylbenzoate|Methyl 3,6-dimethylresorcylate|Methyl beta-resorcinolcarboxylate|136218-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041653
ERPathway2016 ERPathway2016_413 Methyl 3-methylorsellinate 4707-47-5 DTXSID9041653 ER Pathway Model, Agonist Model Score 0.00793 Unitless COC(=O)C1=C(O)C(C)=C(O)C=C1C Methyl 3-methylorsellinate 4707-47-5|Methyl 3-methylorsellinate|Atraric acid|Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester|beta-Resorcyclic acid, 3,6-dimethyl-, methyl ester|beta-Resorcylic acid, 3,6-dimethyl-, methyl ester|EINECS 225-193-0|Methyl 2,4-dihydroxy-3,6-dimethylbenzoate|Methyl 3,6-dimethylresorcylate|Methyl beta-resorcinolcarboxylate|136218-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041653
ERPathway2016 ERPathway2016_413 Methyl 3-methylorsellinate 4707-47-5 DTXSID9041653 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=C(O)C(C)=C(O)C=C1C Methyl 3-methylorsellinate 4707-47-5|Methyl 3-methylorsellinate|Atraric acid|Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester|beta-Resorcyclic acid, 3,6-dimethyl-, methyl ester|beta-Resorcylic acid, 3,6-dimethyl-, methyl ester|EINECS 225-193-0|Methyl 2,4-dihydroxy-3,6-dimethylbenzoate|Methyl 3,6-dimethylresorcylate|Methyl beta-resorcinolcarboxylate|136218-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041653
ERPathway2016 ERPathway2016_413 Methyl 3-methylorsellinate 4707-47-5 DTXSID9041653 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=C(O)C(C)=C(O)C=C1C Methyl 3-methylorsellinate 4707-47-5|Methyl 3-methylorsellinate|Atraric acid|Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester|beta-Resorcyclic acid, 3,6-dimethyl-, methyl ester|beta-Resorcylic acid, 3,6-dimethyl-, methyl ester|EINECS 225-193-0|Methyl 2,4-dihydroxy-3,6-dimethylbenzoate|Methyl 3,6-dimethylresorcylate|Methyl beta-resorcinolcarboxylate|136218-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041653
ERPathway2016 ERPathway2016_413 Methyl 3-methylorsellinate 4707-47-5 DTXSID9041653 ER Pathway Model, Antagonist Call Active Unitless COC(=O)C1=C(O)C(C)=C(O)C=C1C Methyl 3-methylorsellinate 4707-47-5|Methyl 3-methylorsellinate|Atraric acid|Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester|beta-Resorcyclic acid, 3,6-dimethyl-, methyl ester|beta-Resorcylic acid, 3,6-dimethyl-, methyl ester|EINECS 225-193-0|Methyl 2,4-dihydroxy-3,6-dimethylbenzoate|Methyl 3,6-dimethylresorcylate|Methyl beta-resorcinolcarboxylate|136218-95-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041653
ARPathway2016 ARPathway2016_755 Methyl abietate 127-25-3 DTXSID9048190 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C Methyl abietate 127-25-3|Methyl abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-|4-09-00-02176|Abietic acid, methyl ester|BRN 2702228|EINECS 204-832-7|Methyl 7,13-abietadien-18-oate|Methyl ester of wood rosin|NSC 2141|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester|UNII-BY54I7IT3L|WOOD ROSIN, METHYL ESTER|977041-50-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048190
ARPathway2016 ARPathway2016_755 Methyl abietate 127-25-3 DTXSID9048190 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C Methyl abietate 127-25-3|Methyl abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-|4-09-00-02176|Abietic acid, methyl ester|BRN 2702228|EINECS 204-832-7|Methyl 7,13-abietadien-18-oate|Methyl ester of wood rosin|NSC 2141|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester|UNII-BY54I7IT3L|WOOD ROSIN, METHYL ESTER|977041-50-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048190
ARPathway2016 ARPathway2016_755 Methyl abietate 127-25-3 DTXSID9048190 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C Methyl abietate 127-25-3|Methyl abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-|4-09-00-02176|Abietic acid, methyl ester|BRN 2702228|EINECS 204-832-7|Methyl 7,13-abietadien-18-oate|Methyl ester of wood rosin|NSC 2141|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester|UNII-BY54I7IT3L|WOOD ROSIN, METHYL ESTER|977041-50-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048190
ARPathway2016 ARPathway2016_755 Methyl abietate 127-25-3 DTXSID9048190 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C Methyl abietate 127-25-3|Methyl abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-|4-09-00-02176|Abietic acid, methyl ester|BRN 2702228|EINECS 204-832-7|Methyl 7,13-abietadien-18-oate|Methyl ester of wood rosin|NSC 2141|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester|UNII-BY54I7IT3L|WOOD ROSIN, METHYL ESTER|977041-50-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048190
ERPathway2016 ERPathway2016_431 Methyl abietate 127-25-3 DTXSID9048190 ER Pathway Model, Antagonist AC50 8.29473984025362 uM COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C Methyl abietate 127-25-3|Methyl abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-|4-09-00-02176|Abietic acid, methyl ester|BRN 2702228|EINECS 204-832-7|Methyl 7,13-abietadien-18-oate|Methyl ester of wood rosin|NSC 2141|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester|UNII-BY54I7IT3L|WOOD ROSIN, METHYL ESTER|977041-50-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048190
ERPathway2016 ERPathway2016_431 Methyl abietate 127-25-3 DTXSID9048190 ER Pathway Model, Antagonist ACC 7.9849846416215 uM COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C Methyl abietate 127-25-3|Methyl abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-|4-09-00-02176|Abietic acid, methyl ester|BRN 2702228|EINECS 204-832-7|Methyl 7,13-abietadien-18-oate|Methyl ester of wood rosin|NSC 2141|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester|UNII-BY54I7IT3L|WOOD ROSIN, METHYL ESTER|977041-50-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048190
ERPathway2016 ERPathway2016_431 Methyl abietate 127-25-3 DTXSID9048190 ER Pathway Model, Agonist Model Score 0.00607 Unitless COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C Methyl abietate 127-25-3|Methyl abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-|4-09-00-02176|Abietic acid, methyl ester|BRN 2702228|EINECS 204-832-7|Methyl 7,13-abietadien-18-oate|Methyl ester of wood rosin|NSC 2141|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester|UNII-BY54I7IT3L|WOOD ROSIN, METHYL ESTER|977041-50-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048190
ERPathway2016 ERPathway2016_431 Methyl abietate 127-25-3 DTXSID9048190 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C Methyl abietate 127-25-3|Methyl abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-|4-09-00-02176|Abietic acid, methyl ester|BRN 2702228|EINECS 204-832-7|Methyl 7,13-abietadien-18-oate|Methyl ester of wood rosin|NSC 2141|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester|UNII-BY54I7IT3L|WOOD ROSIN, METHYL ESTER|977041-50-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048190
ERPathway2016 ERPathway2016_431 Methyl abietate 127-25-3 DTXSID9048190 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C Methyl abietate 127-25-3|Methyl abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-|4-09-00-02176|Abietic acid, methyl ester|BRN 2702228|EINECS 204-832-7|Methyl 7,13-abietadien-18-oate|Methyl ester of wood rosin|NSC 2141|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester|UNII-BY54I7IT3L|WOOD ROSIN, METHYL ESTER|977041-50-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048190
ERPathway2016 ERPathway2016_431 Methyl abietate 127-25-3 DTXSID9048190 ER Pathway Model, Antagonist Call Active Unitless COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C Methyl abietate 127-25-3|Methyl abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-|4-09-00-02176|Abietic acid, methyl ester|BRN 2702228|EINECS 204-832-7|Methyl 7,13-abietadien-18-oate|Methyl ester of wood rosin|NSC 2141|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester|UNII-BY54I7IT3L|WOOD ROSIN, METHYL ESTER|977041-50-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048190
ARPathway2016 ARPathway2016_1382 Methyl carbamate 598-55-0 DTXSID8020834 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(N)=O Methyl carbamate 598-55-0|Methyl carbamate|4-03-00-00037|BRN 0635779|carbamic acid methyl ester|Carbamic acid, methyl ester|EINECS 209-939-2|H2NCO2Me|H2NCOOCH3|MeO2CNH2|methoxycarbonylamine|Methylcarbamate|Methylester kyseliny karbaminove|Methylkarbamat|methylurethan|methylurethane|NCI-C55594|NH2CO2Me|NSC 3054|o-Methyl carbamate|UNII-9WFX634X2T|urethylane https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020834 https://doi.org/10.22427/NTP-DATA-DTXSID8020834
ARPathway2016 ARPathway2016_1382 Methyl carbamate 598-55-0 DTXSID8020834 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(N)=O Methyl carbamate 598-55-0|Methyl carbamate|4-03-00-00037|BRN 0635779|carbamic acid methyl ester|Carbamic acid, methyl ester|EINECS 209-939-2|H2NCO2Me|H2NCOOCH3|MeO2CNH2|methoxycarbonylamine|Methylcarbamate|Methylester kyseliny karbaminove|Methylkarbamat|methylurethan|methylurethane|NCI-C55594|NH2CO2Me|NSC 3054|o-Methyl carbamate|UNII-9WFX634X2T|urethylane https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020834 https://doi.org/10.22427/NTP-DATA-DTXSID8020834
ARPathway2016 ARPathway2016_1382 Methyl carbamate 598-55-0 DTXSID8020834 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(N)=O Methyl carbamate 598-55-0|Methyl carbamate|4-03-00-00037|BRN 0635779|carbamic acid methyl ester|Carbamic acid, methyl ester|EINECS 209-939-2|H2NCO2Me|H2NCOOCH3|MeO2CNH2|methoxycarbonylamine|Methylcarbamate|Methylester kyseliny karbaminove|Methylkarbamat|methylurethan|methylurethane|NCI-C55594|NH2CO2Me|NSC 3054|o-Methyl carbamate|UNII-9WFX634X2T|urethylane https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020834 https://doi.org/10.22427/NTP-DATA-DTXSID8020834
ARPathway2016 ARPathway2016_1382 Methyl carbamate 598-55-0 DTXSID8020834 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(N)=O Methyl carbamate 598-55-0|Methyl carbamate|4-03-00-00037|BRN 0635779|carbamic acid methyl ester|Carbamic acid, methyl ester|EINECS 209-939-2|H2NCO2Me|H2NCOOCH3|MeO2CNH2|methoxycarbonylamine|Methylcarbamate|Methylester kyseliny karbaminove|Methylkarbamat|methylurethan|methylurethane|NCI-C55594|NH2CO2Me|NSC 3054|o-Methyl carbamate|UNII-9WFX634X2T|urethylane https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020834 https://doi.org/10.22427/NTP-DATA-DTXSID8020834
ERPathway2016 ERPathway2016_1567 Methyl carbamate 598-55-0 DTXSID8020834 ER Pathway Model, Agonist Model Score 0 Unitless COC(N)=O Methyl carbamate 598-55-0|Methyl carbamate|4-03-00-00037|BRN 0635779|carbamic acid methyl ester|Carbamic acid, methyl ester|EINECS 209-939-2|H2NCO2Me|H2NCOOCH3|MeO2CNH2|methoxycarbonylamine|Methylcarbamate|Methylester kyseliny karbaminove|Methylkarbamat|methylurethan|methylurethane|NCI-C55594|NH2CO2Me|NSC 3054|o-Methyl carbamate|UNII-9WFX634X2T|urethylane https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020834 https://doi.org/10.22427/NTP-DATA-DTXSID8020834
ERPathway2016 ERPathway2016_1567 Methyl carbamate 598-55-0 DTXSID8020834 ER Pathway Model, Antagonist Model Score 0 Unitless COC(N)=O Methyl carbamate 598-55-0|Methyl carbamate|4-03-00-00037|BRN 0635779|carbamic acid methyl ester|Carbamic acid, methyl ester|EINECS 209-939-2|H2NCO2Me|H2NCOOCH3|MeO2CNH2|methoxycarbonylamine|Methylcarbamate|Methylester kyseliny karbaminove|Methylkarbamat|methylurethan|methylurethane|NCI-C55594|NH2CO2Me|NSC 3054|o-Methyl carbamate|UNII-9WFX634X2T|urethylane https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020834 https://doi.org/10.22427/NTP-DATA-DTXSID8020834
ERPathway2016 ERPathway2016_1567 Methyl carbamate 598-55-0 DTXSID8020834 ER Pathway Model, Agonist Call Inactive Unitless COC(N)=O Methyl carbamate 598-55-0|Methyl carbamate|4-03-00-00037|BRN 0635779|carbamic acid methyl ester|Carbamic acid, methyl ester|EINECS 209-939-2|H2NCO2Me|H2NCOOCH3|MeO2CNH2|methoxycarbonylamine|Methylcarbamate|Methylester kyseliny karbaminove|Methylkarbamat|methylurethan|methylurethane|NCI-C55594|NH2CO2Me|NSC 3054|o-Methyl carbamate|UNII-9WFX634X2T|urethylane https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020834 https://doi.org/10.22427/NTP-DATA-DTXSID8020834
ERPathway2016 ERPathway2016_1567 Methyl carbamate 598-55-0 DTXSID8020834 ER Pathway Model, Antagonist Call Inactive Unitless COC(N)=O Methyl carbamate 598-55-0|Methyl carbamate|4-03-00-00037|BRN 0635779|carbamic acid methyl ester|Carbamic acid, methyl ester|EINECS 209-939-2|H2NCO2Me|H2NCOOCH3|MeO2CNH2|methoxycarbonylamine|Methylcarbamate|Methylester kyseliny karbaminove|Methylkarbamat|methylurethan|methylurethane|NCI-C55594|NH2CO2Me|NSC 3054|o-Methyl carbamate|UNII-9WFX634X2T|urethylane https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020834 https://doi.org/10.22427/NTP-DATA-DTXSID8020834
ARPathway2016 ARPathway2016_544 Methyl decanoate 110-42-9 DTXSID4026842 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCC(=O)OC Methyl decanoate 110-42-9|Methyl decanoate|BRN 1759170|Capric acid methyl ester|Decanoate de methyle|DECANOATE, METHYL|decanoato de metilo|Decanoic acid methyl ester|Decanoic acid, methyl ester|EINECS 203-766-6|Estasol MD 10|Metholene 2095|Methyl caprate|Methyl caprinate|Methyl Decanoate.|Methyl n-caprate|Methyl n-decanoate|Methyl-n-caprate|Methyldecanoat|NSC 3713|Pastell M 10|UNII-U9L2W51J0B|Uniphat A 30|Uniphat A30 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026842
ARPathway2016 ARPathway2016_544 Methyl decanoate 110-42-9 DTXSID4026842 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCC(=O)OC Methyl decanoate 110-42-9|Methyl decanoate|BRN 1759170|Capric acid methyl ester|Decanoate de methyle|DECANOATE, METHYL|decanoato de metilo|Decanoic acid methyl ester|Decanoic acid, methyl ester|EINECS 203-766-6|Estasol MD 10|Metholene 2095|Methyl caprate|Methyl caprinate|Methyl Decanoate.|Methyl n-caprate|Methyl n-decanoate|Methyl-n-caprate|Methyldecanoat|NSC 3713|Pastell M 10|UNII-U9L2W51J0B|Uniphat A 30|Uniphat A30 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026842
ARPathway2016 ARPathway2016_544 Methyl decanoate 110-42-9 DTXSID4026842 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCC(=O)OC Methyl decanoate 110-42-9|Methyl decanoate|BRN 1759170|Capric acid methyl ester|Decanoate de methyle|DECANOATE, METHYL|decanoato de metilo|Decanoic acid methyl ester|Decanoic acid, methyl ester|EINECS 203-766-6|Estasol MD 10|Metholene 2095|Methyl caprate|Methyl caprinate|Methyl Decanoate.|Methyl n-caprate|Methyl n-decanoate|Methyl-n-caprate|Methyldecanoat|NSC 3713|Pastell M 10|UNII-U9L2W51J0B|Uniphat A 30|Uniphat A30 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026842
ARPathway2016 ARPathway2016_544 Methyl decanoate 110-42-9 DTXSID4026842 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCC(=O)OC Methyl decanoate 110-42-9|Methyl decanoate|BRN 1759170|Capric acid methyl ester|Decanoate de methyle|DECANOATE, METHYL|decanoato de metilo|Decanoic acid methyl ester|Decanoic acid, methyl ester|EINECS 203-766-6|Estasol MD 10|Metholene 2095|Methyl caprate|Methyl caprinate|Methyl Decanoate.|Methyl n-caprate|Methyl n-decanoate|Methyl-n-caprate|Methyldecanoat|NSC 3713|Pastell M 10|UNII-U9L2W51J0B|Uniphat A 30|Uniphat A30 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026842
ERPathway2016 ERPathway2016_1134 Methyl decanoate 110-42-9 DTXSID4026842 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCC(=O)OC Methyl decanoate 110-42-9|Methyl decanoate|BRN 1759170|Capric acid methyl ester|Decanoate de methyle|DECANOATE, METHYL|decanoato de metilo|Decanoic acid methyl ester|Decanoic acid, methyl ester|EINECS 203-766-6|Estasol MD 10|Metholene 2095|Methyl caprate|Methyl caprinate|Methyl Decanoate.|Methyl n-caprate|Methyl n-decanoate|Methyl-n-caprate|Methyldecanoat|NSC 3713|Pastell M 10|UNII-U9L2W51J0B|Uniphat A 30|Uniphat A30 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026842
ERPathway2016 ERPathway2016_1134 Methyl decanoate 110-42-9 DTXSID4026842 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCC(=O)OC Methyl decanoate 110-42-9|Methyl decanoate|BRN 1759170|Capric acid methyl ester|Decanoate de methyle|DECANOATE, METHYL|decanoato de metilo|Decanoic acid methyl ester|Decanoic acid, methyl ester|EINECS 203-766-6|Estasol MD 10|Metholene 2095|Methyl caprate|Methyl caprinate|Methyl Decanoate.|Methyl n-caprate|Methyl n-decanoate|Methyl-n-caprate|Methyldecanoat|NSC 3713|Pastell M 10|UNII-U9L2W51J0B|Uniphat A 30|Uniphat A30 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026842
ERPathway2016 ERPathway2016_1134 Methyl decanoate 110-42-9 DTXSID4026842 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCC(=O)OC Methyl decanoate 110-42-9|Methyl decanoate|BRN 1759170|Capric acid methyl ester|Decanoate de methyle|DECANOATE, METHYL|decanoato de metilo|Decanoic acid methyl ester|Decanoic acid, methyl ester|EINECS 203-766-6|Estasol MD 10|Metholene 2095|Methyl caprate|Methyl caprinate|Methyl Decanoate.|Methyl n-caprate|Methyl n-decanoate|Methyl-n-caprate|Methyldecanoat|NSC 3713|Pastell M 10|UNII-U9L2W51J0B|Uniphat A 30|Uniphat A30 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026842
ERPathway2016 ERPathway2016_1134 Methyl decanoate 110-42-9 DTXSID4026842 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCC(=O)OC Methyl decanoate 110-42-9|Methyl decanoate|BRN 1759170|Capric acid methyl ester|Decanoate de methyle|DECANOATE, METHYL|decanoato de metilo|Decanoic acid methyl ester|Decanoic acid, methyl ester|EINECS 203-766-6|Estasol MD 10|Metholene 2095|Methyl caprate|Methyl caprinate|Methyl Decanoate.|Methyl n-caprate|Methyl n-decanoate|Methyl-n-caprate|Methyldecanoat|NSC 3713|Pastell M 10|UNII-U9L2W51J0B|Uniphat A 30|Uniphat A30 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026842
ARPathway2016 ARPathway2016_1042 Methyl dihydrojasmonate 24851-98-7 DTXSID2029325 1.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCC1C(CC(=O)OC)CCC1=O Methyl dihydrojasmonate 24851-98-7|Methyl dihydrojasmonate|Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester|EINECS 246-495-9|FEMA No. 3408|Hedione|Kharismal|Methyl (2-pentyl-3-oxocyclopentyl)acetate|Methyl (3-oxo-2-pentylcyclopentyl)acetate|Methyl 3-oxo-2-pentyl-cyclopentaneacetate|UNII-3GW44CIE3Y|128087-96-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029325
ARPathway2016 ARPathway2016_1042 Methyl dihydrojasmonate 24851-98-7 DTXSID2029325 1.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCC1C(CC(=O)OC)CCC1=O Methyl dihydrojasmonate 24851-98-7|Methyl dihydrojasmonate|Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester|EINECS 246-495-9|FEMA No. 3408|Hedione|Kharismal|Methyl (2-pentyl-3-oxocyclopentyl)acetate|Methyl (3-oxo-2-pentylcyclopentyl)acetate|Methyl 3-oxo-2-pentyl-cyclopentaneacetate|UNII-3GW44CIE3Y|128087-96-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029325
ARPathway2016 ARPathway2016_1042 Methyl dihydrojasmonate 24851-98-7 DTXSID2029325 1.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCC1C(CC(=O)OC)CCC1=O Methyl dihydrojasmonate 24851-98-7|Methyl dihydrojasmonate|Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester|EINECS 246-495-9|FEMA No. 3408|Hedione|Kharismal|Methyl (2-pentyl-3-oxocyclopentyl)acetate|Methyl (3-oxo-2-pentylcyclopentyl)acetate|Methyl 3-oxo-2-pentyl-cyclopentaneacetate|UNII-3GW44CIE3Y|128087-96-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029325
ARPathway2016 ARPathway2016_1042 Methyl dihydrojasmonate 24851-98-7 DTXSID2029325 1.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCC1C(CC(=O)OC)CCC1=O Methyl dihydrojasmonate 24851-98-7|Methyl dihydrojasmonate|Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester|EINECS 246-495-9|FEMA No. 3408|Hedione|Kharismal|Methyl (2-pentyl-3-oxocyclopentyl)acetate|Methyl (3-oxo-2-pentylcyclopentyl)acetate|Methyl 3-oxo-2-pentyl-cyclopentaneacetate|UNII-3GW44CIE3Y|128087-96-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029325
ERPathway2016 ERPathway2016_907 Methyl dihydrojasmonate 24851-98-7 DTXSID2029325 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCC1C(CC(=O)OC)CCC1=O Methyl dihydrojasmonate 24851-98-7|Methyl dihydrojasmonate|Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester|EINECS 246-495-9|FEMA No. 3408|Hedione|Kharismal|Methyl (2-pentyl-3-oxocyclopentyl)acetate|Methyl (3-oxo-2-pentylcyclopentyl)acetate|Methyl 3-oxo-2-pentyl-cyclopentaneacetate|UNII-3GW44CIE3Y|128087-96-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029325
ERPathway2016 ERPathway2016_907 Methyl dihydrojasmonate 24851-98-7 DTXSID2029325 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCC1C(CC(=O)OC)CCC1=O Methyl dihydrojasmonate 24851-98-7|Methyl dihydrojasmonate|Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester|EINECS 246-495-9|FEMA No. 3408|Hedione|Kharismal|Methyl (2-pentyl-3-oxocyclopentyl)acetate|Methyl (3-oxo-2-pentylcyclopentyl)acetate|Methyl 3-oxo-2-pentyl-cyclopentaneacetate|UNII-3GW44CIE3Y|128087-96-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029325
ERPathway2016 ERPathway2016_907 Methyl dihydrojasmonate 24851-98-7 DTXSID2029325 ER Pathway Model, Agonist Call Inactive Unitless CCCCCC1C(CC(=O)OC)CCC1=O Methyl dihydrojasmonate 24851-98-7|Methyl dihydrojasmonate|Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester|EINECS 246-495-9|FEMA No. 3408|Hedione|Kharismal|Methyl (2-pentyl-3-oxocyclopentyl)acetate|Methyl (3-oxo-2-pentylcyclopentyl)acetate|Methyl 3-oxo-2-pentyl-cyclopentaneacetate|UNII-3GW44CIE3Y|128087-96-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029325
ERPathway2016 ERPathway2016_907 Methyl dihydrojasmonate 24851-98-7 DTXSID2029325 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCC1C(CC(=O)OC)CCC1=O Methyl dihydrojasmonate 24851-98-7|Methyl dihydrojasmonate|Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester|EINECS 246-495-9|FEMA No. 3408|Hedione|Kharismal|Methyl (2-pentyl-3-oxocyclopentyl)acetate|Methyl (3-oxo-2-pentylcyclopentyl)acetate|Methyl 3-oxo-2-pentyl-cyclopentaneacetate|UNII-3GW44CIE3Y|128087-96-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029325
ARPathway2016 ARPathway2016_579 Methyl dodecanoate 111-82-0 DTXSID5026889 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCC(=O)OC Methyl dodecanoate 111-82-0|Methyl dodecanoate|4-02-00-01090|Agnique ME 1270U|Agnique ME 1290|BRN 1767780|Dodecanoic acid methyl ester|Dodecanoic acid, methyl ester|DODECANOIC ACID,METHYL ESTER|Edenor ME-C 1270|Edenor ME-C 1298-100|EINECS 203-911-3|FEMA No. 2715|FEMA number 2715|Laurate de methyle|LAURATE, METHYL|laurato de metilo|Lauric acid methyl ester|Lauric acid, methyl ester|Metholene 2296|Methyl dodecylate|Methyl laurate|Methyl laurinate|Methyl n-dodecanoate|Methyllaurat|NSC 5027|Pastel M 12|Pastell M 12|Stepan C 40|Texaprint SDM 100|UNII-8IPS6BI6KW|Uniphat A 40|Uniphat A40 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026889
ARPathway2016 ARPathway2016_579 Methyl dodecanoate 111-82-0 DTXSID5026889 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCC(=O)OC Methyl dodecanoate 111-82-0|Methyl dodecanoate|4-02-00-01090|Agnique ME 1270U|Agnique ME 1290|BRN 1767780|Dodecanoic acid methyl ester|Dodecanoic acid, methyl ester|DODECANOIC ACID,METHYL ESTER|Edenor ME-C 1270|Edenor ME-C 1298-100|EINECS 203-911-3|FEMA No. 2715|FEMA number 2715|Laurate de methyle|LAURATE, METHYL|laurato de metilo|Lauric acid methyl ester|Lauric acid, methyl ester|Metholene 2296|Methyl dodecylate|Methyl laurate|Methyl laurinate|Methyl n-dodecanoate|Methyllaurat|NSC 5027|Pastel M 12|Pastell M 12|Stepan C 40|Texaprint SDM 100|UNII-8IPS6BI6KW|Uniphat A 40|Uniphat A40 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026889
ARPathway2016 ARPathway2016_579 Methyl dodecanoate 111-82-0 DTXSID5026889 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCC(=O)OC Methyl dodecanoate 111-82-0|Methyl dodecanoate|4-02-00-01090|Agnique ME 1270U|Agnique ME 1290|BRN 1767780|Dodecanoic acid methyl ester|Dodecanoic acid, methyl ester|DODECANOIC ACID,METHYL ESTER|Edenor ME-C 1270|Edenor ME-C 1298-100|EINECS 203-911-3|FEMA No. 2715|FEMA number 2715|Laurate de methyle|LAURATE, METHYL|laurato de metilo|Lauric acid methyl ester|Lauric acid, methyl ester|Metholene 2296|Methyl dodecylate|Methyl laurate|Methyl laurinate|Methyl n-dodecanoate|Methyllaurat|NSC 5027|Pastel M 12|Pastell M 12|Stepan C 40|Texaprint SDM 100|UNII-8IPS6BI6KW|Uniphat A 40|Uniphat A40 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026889
ARPathway2016 ARPathway2016_579 Methyl dodecanoate 111-82-0 DTXSID5026889 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCC(=O)OC Methyl dodecanoate 111-82-0|Methyl dodecanoate|4-02-00-01090|Agnique ME 1270U|Agnique ME 1290|BRN 1767780|Dodecanoic acid methyl ester|Dodecanoic acid, methyl ester|DODECANOIC ACID,METHYL ESTER|Edenor ME-C 1270|Edenor ME-C 1298-100|EINECS 203-911-3|FEMA No. 2715|FEMA number 2715|Laurate de methyle|LAURATE, METHYL|laurato de metilo|Lauric acid methyl ester|Lauric acid, methyl ester|Metholene 2296|Methyl dodecylate|Methyl laurate|Methyl laurinate|Methyl n-dodecanoate|Methyllaurat|NSC 5027|Pastel M 12|Pastell M 12|Stepan C 40|Texaprint SDM 100|UNII-8IPS6BI6KW|Uniphat A 40|Uniphat A40 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026889
ERPathway2016 ERPathway2016_1157 Methyl dodecanoate 111-82-0 DTXSID5026889 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCC(=O)OC Methyl dodecanoate 111-82-0|Methyl dodecanoate|4-02-00-01090|Agnique ME 1270U|Agnique ME 1290|BRN 1767780|Dodecanoic acid methyl ester|Dodecanoic acid, methyl ester|DODECANOIC ACID,METHYL ESTER|Edenor ME-C 1270|Edenor ME-C 1298-100|EINECS 203-911-3|FEMA No. 2715|FEMA number 2715|Laurate de methyle|LAURATE, METHYL|laurato de metilo|Lauric acid methyl ester|Lauric acid, methyl ester|Metholene 2296|Methyl dodecylate|Methyl laurate|Methyl laurinate|Methyl n-dodecanoate|Methyllaurat|NSC 5027|Pastel M 12|Pastell M 12|Stepan C 40|Texaprint SDM 100|UNII-8IPS6BI6KW|Uniphat A 40|Uniphat A40 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026889
ERPathway2016 ERPathway2016_1157 Methyl dodecanoate 111-82-0 DTXSID5026889 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCC(=O)OC Methyl dodecanoate 111-82-0|Methyl dodecanoate|4-02-00-01090|Agnique ME 1270U|Agnique ME 1290|BRN 1767780|Dodecanoic acid methyl ester|Dodecanoic acid, methyl ester|DODECANOIC ACID,METHYL ESTER|Edenor ME-C 1270|Edenor ME-C 1298-100|EINECS 203-911-3|FEMA No. 2715|FEMA number 2715|Laurate de methyle|LAURATE, METHYL|laurato de metilo|Lauric acid methyl ester|Lauric acid, methyl ester|Metholene 2296|Methyl dodecylate|Methyl laurate|Methyl laurinate|Methyl n-dodecanoate|Methyllaurat|NSC 5027|Pastel M 12|Pastell M 12|Stepan C 40|Texaprint SDM 100|UNII-8IPS6BI6KW|Uniphat A 40|Uniphat A40 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026889
ERPathway2016 ERPathway2016_1157 Methyl dodecanoate 111-82-0 DTXSID5026889 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCC(=O)OC Methyl dodecanoate 111-82-0|Methyl dodecanoate|4-02-00-01090|Agnique ME 1270U|Agnique ME 1290|BRN 1767780|Dodecanoic acid methyl ester|Dodecanoic acid, methyl ester|DODECANOIC ACID,METHYL ESTER|Edenor ME-C 1270|Edenor ME-C 1298-100|EINECS 203-911-3|FEMA No. 2715|FEMA number 2715|Laurate de methyle|LAURATE, METHYL|laurato de metilo|Lauric acid methyl ester|Lauric acid, methyl ester|Metholene 2296|Methyl dodecylate|Methyl laurate|Methyl laurinate|Methyl n-dodecanoate|Methyllaurat|NSC 5027|Pastel M 12|Pastell M 12|Stepan C 40|Texaprint SDM 100|UNII-8IPS6BI6KW|Uniphat A 40|Uniphat A40 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026889
ERPathway2016 ERPathway2016_1157 Methyl dodecanoate 111-82-0 DTXSID5026889 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCC(=O)OC Methyl dodecanoate 111-82-0|Methyl dodecanoate|4-02-00-01090|Agnique ME 1270U|Agnique ME 1290|BRN 1767780|Dodecanoic acid methyl ester|Dodecanoic acid, methyl ester|DODECANOIC ACID,METHYL ESTER|Edenor ME-C 1270|Edenor ME-C 1298-100|EINECS 203-911-3|FEMA No. 2715|FEMA number 2715|Laurate de methyle|LAURATE, METHYL|laurato de metilo|Lauric acid methyl ester|Lauric acid, methyl ester|Metholene 2296|Methyl dodecylate|Methyl laurate|Methyl laurinate|Methyl n-dodecanoate|Methyllaurat|NSC 5027|Pastel M 12|Pastell M 12|Stepan C 40|Texaprint SDM 100|UNII-8IPS6BI6KW|Uniphat A 40|Uniphat A40 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026889
ARPathway2016 ARPathway2016_1325 Methyl isothiocyanate 556-61-6 DTXSID2027204 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN=C=S Methyl isothiocyanate 556-61-6|Methyl isothiocyanate|(methylimino)(thioxo)methane|(methylimino)thioxo-Methane|Biomet 33|Caswell No. 573|EINECS 209-132-5|EPA Pesticide Chemical Code 068103|Isothiocyanate de methyle|ISOTHIOCYANATE, METHYL|Isothiocyanato-Methane|Isothiocyanatomethane|Isothiocyanatomethane, 9CI|Isothiocyanic acid, methyl ester|isotiocianato de metilo|Isotiocianato di metile|Mencs|Methane isothiocyanate|Methane, isothiocyanato-|Methyl isothiocyanide|Methyl mustard|Methyl mustard oil|Methyl thioisocyanate|Methyl-isothiocyanat|Methylimino-sulfanylidenemethane|Methylisothiocyanaat|Methylisothiocyanat|Methylisothiokyanat|Methylsenfoel|Metile isotiocianato|MIC|MIT|MITC|Morton EP-161E|MTC|Trapex|Trapex-40|Trapexide|Tropex|UN 2477|UNII-RWE2M5YDW1|Vorlex|Vorlex (Nor-Am)|Vorlex 201 (Nor-Am)|Vortex|1800084-95-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027204
ARPathway2016 ARPathway2016_1325 Methyl isothiocyanate 556-61-6 DTXSID2027204 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN=C=S Methyl isothiocyanate 556-61-6|Methyl isothiocyanate|(methylimino)(thioxo)methane|(methylimino)thioxo-Methane|Biomet 33|Caswell No. 573|EINECS 209-132-5|EPA Pesticide Chemical Code 068103|Isothiocyanate de methyle|ISOTHIOCYANATE, METHYL|Isothiocyanato-Methane|Isothiocyanatomethane|Isothiocyanatomethane, 9CI|Isothiocyanic acid, methyl ester|isotiocianato de metilo|Isotiocianato di metile|Mencs|Methane isothiocyanate|Methane, isothiocyanato-|Methyl isothiocyanide|Methyl mustard|Methyl mustard oil|Methyl thioisocyanate|Methyl-isothiocyanat|Methylimino-sulfanylidenemethane|Methylisothiocyanaat|Methylisothiocyanat|Methylisothiokyanat|Methylsenfoel|Metile isotiocianato|MIC|MIT|MITC|Morton EP-161E|MTC|Trapex|Trapex-40|Trapexide|Tropex|UN 2477|UNII-RWE2M5YDW1|Vorlex|Vorlex (Nor-Am)|Vorlex 201 (Nor-Am)|Vortex|1800084-95-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027204
ARPathway2016 ARPathway2016_1325 Methyl isothiocyanate 556-61-6 DTXSID2027204 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN=C=S Methyl isothiocyanate 556-61-6|Methyl isothiocyanate|(methylimino)(thioxo)methane|(methylimino)thioxo-Methane|Biomet 33|Caswell No. 573|EINECS 209-132-5|EPA Pesticide Chemical Code 068103|Isothiocyanate de methyle|ISOTHIOCYANATE, METHYL|Isothiocyanato-Methane|Isothiocyanatomethane|Isothiocyanatomethane, 9CI|Isothiocyanic acid, methyl ester|isotiocianato de metilo|Isotiocianato di metile|Mencs|Methane isothiocyanate|Methane, isothiocyanato-|Methyl isothiocyanide|Methyl mustard|Methyl mustard oil|Methyl thioisocyanate|Methyl-isothiocyanat|Methylimino-sulfanylidenemethane|Methylisothiocyanaat|Methylisothiocyanat|Methylisothiokyanat|Methylsenfoel|Metile isotiocianato|MIC|MIT|MITC|Morton EP-161E|MTC|Trapex|Trapex-40|Trapexide|Tropex|UN 2477|UNII-RWE2M5YDW1|Vorlex|Vorlex (Nor-Am)|Vorlex 201 (Nor-Am)|Vortex|1800084-95-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027204
ARPathway2016 ARPathway2016_1325 Methyl isothiocyanate 556-61-6 DTXSID2027204 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN=C=S Methyl isothiocyanate 556-61-6|Methyl isothiocyanate|(methylimino)(thioxo)methane|(methylimino)thioxo-Methane|Biomet 33|Caswell No. 573|EINECS 209-132-5|EPA Pesticide Chemical Code 068103|Isothiocyanate de methyle|ISOTHIOCYANATE, METHYL|Isothiocyanato-Methane|Isothiocyanatomethane|Isothiocyanatomethane, 9CI|Isothiocyanic acid, methyl ester|isotiocianato de metilo|Isotiocianato di metile|Mencs|Methane isothiocyanate|Methane, isothiocyanato-|Methyl isothiocyanide|Methyl mustard|Methyl mustard oil|Methyl thioisocyanate|Methyl-isothiocyanat|Methylimino-sulfanylidenemethane|Methylisothiocyanaat|Methylisothiocyanat|Methylisothiokyanat|Methylsenfoel|Metile isotiocianato|MIC|MIT|MITC|Morton EP-161E|MTC|Trapex|Trapex-40|Trapexide|Tropex|UN 2477|UNII-RWE2M5YDW1|Vorlex|Vorlex (Nor-Am)|Vorlex 201 (Nor-Am)|Vortex|1800084-95-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027204
ERPathway2016 ERPathway2016_1035 Methyl isothiocyanate 556-61-6 DTXSID2027204 ER Pathway Model, Agonist Model Score 0 Unitless CN=C=S Methyl isothiocyanate 556-61-6|Methyl isothiocyanate|(methylimino)(thioxo)methane|(methylimino)thioxo-Methane|Biomet 33|Caswell No. 573|EINECS 209-132-5|EPA Pesticide Chemical Code 068103|Isothiocyanate de methyle|ISOTHIOCYANATE, METHYL|Isothiocyanato-Methane|Isothiocyanatomethane|Isothiocyanatomethane, 9CI|Isothiocyanic acid, methyl ester|isotiocianato de metilo|Isotiocianato di metile|Mencs|Methane isothiocyanate|Methane, isothiocyanato-|Methyl isothiocyanide|Methyl mustard|Methyl mustard oil|Methyl thioisocyanate|Methyl-isothiocyanat|Methylimino-sulfanylidenemethane|Methylisothiocyanaat|Methylisothiocyanat|Methylisothiokyanat|Methylsenfoel|Metile isotiocianato|MIC|MIT|MITC|Morton EP-161E|MTC|Trapex|Trapex-40|Trapexide|Tropex|UN 2477|UNII-RWE2M5YDW1|Vorlex|Vorlex (Nor-Am)|Vorlex 201 (Nor-Am)|Vortex|1800084-95-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027204
ERPathway2016 ERPathway2016_1035 Methyl isothiocyanate 556-61-6 DTXSID2027204 ER Pathway Model, Antagonist Model Score 0 Unitless CN=C=S Methyl isothiocyanate 556-61-6|Methyl isothiocyanate|(methylimino)(thioxo)methane|(methylimino)thioxo-Methane|Biomet 33|Caswell No. 573|EINECS 209-132-5|EPA Pesticide Chemical Code 068103|Isothiocyanate de methyle|ISOTHIOCYANATE, METHYL|Isothiocyanato-Methane|Isothiocyanatomethane|Isothiocyanatomethane, 9CI|Isothiocyanic acid, methyl ester|isotiocianato de metilo|Isotiocianato di metile|Mencs|Methane isothiocyanate|Methane, isothiocyanato-|Methyl isothiocyanide|Methyl mustard|Methyl mustard oil|Methyl thioisocyanate|Methyl-isothiocyanat|Methylimino-sulfanylidenemethane|Methylisothiocyanaat|Methylisothiocyanat|Methylisothiokyanat|Methylsenfoel|Metile isotiocianato|MIC|MIT|MITC|Morton EP-161E|MTC|Trapex|Trapex-40|Trapexide|Tropex|UN 2477|UNII-RWE2M5YDW1|Vorlex|Vorlex (Nor-Am)|Vorlex 201 (Nor-Am)|Vortex|1800084-95-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027204
ERPathway2016 ERPathway2016_1035 Methyl isothiocyanate 556-61-6 DTXSID2027204 ER Pathway Model, Agonist Call Inactive Unitless CN=C=S Methyl isothiocyanate 556-61-6|Methyl isothiocyanate|(methylimino)(thioxo)methane|(methylimino)thioxo-Methane|Biomet 33|Caswell No. 573|EINECS 209-132-5|EPA Pesticide Chemical Code 068103|Isothiocyanate de methyle|ISOTHIOCYANATE, METHYL|Isothiocyanato-Methane|Isothiocyanatomethane|Isothiocyanatomethane, 9CI|Isothiocyanic acid, methyl ester|isotiocianato de metilo|Isotiocianato di metile|Mencs|Methane isothiocyanate|Methane, isothiocyanato-|Methyl isothiocyanide|Methyl mustard|Methyl mustard oil|Methyl thioisocyanate|Methyl-isothiocyanat|Methylimino-sulfanylidenemethane|Methylisothiocyanaat|Methylisothiocyanat|Methylisothiokyanat|Methylsenfoel|Metile isotiocianato|MIC|MIT|MITC|Morton EP-161E|MTC|Trapex|Trapex-40|Trapexide|Tropex|UN 2477|UNII-RWE2M5YDW1|Vorlex|Vorlex (Nor-Am)|Vorlex 201 (Nor-Am)|Vortex|1800084-95-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027204
ERPathway2016 ERPathway2016_1035 Methyl isothiocyanate 556-61-6 DTXSID2027204 ER Pathway Model, Antagonist Call Inactive Unitless CN=C=S Methyl isothiocyanate 556-61-6|Methyl isothiocyanate|(methylimino)(thioxo)methane|(methylimino)thioxo-Methane|Biomet 33|Caswell No. 573|EINECS 209-132-5|EPA Pesticide Chemical Code 068103|Isothiocyanate de methyle|ISOTHIOCYANATE, METHYL|Isothiocyanato-Methane|Isothiocyanatomethane|Isothiocyanatomethane, 9CI|Isothiocyanic acid, methyl ester|isotiocianato de metilo|Isotiocianato di metile|Mencs|Methane isothiocyanate|Methane, isothiocyanato-|Methyl isothiocyanide|Methyl mustard|Methyl mustard oil|Methyl thioisocyanate|Methyl-isothiocyanat|Methylimino-sulfanylidenemethane|Methylisothiocyanaat|Methylisothiocyanat|Methylisothiokyanat|Methylsenfoel|Metile isotiocianato|MIC|MIT|MITC|Morton EP-161E|MTC|Trapex|Trapex-40|Trapexide|Tropex|UN 2477|UNII-RWE2M5YDW1|Vorlex|Vorlex (Nor-Am)|Vorlex 201 (Nor-Am)|Vortex|1800084-95-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2027204
ARPathway2016 ARPathway2016_1459 Methyl methanesulfonate 66-27-3 DTXSID7020845 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COS(C)(=O)=O Methyl methanesulfonate 66-27-3|Methyl methanesulfonate|4-04-00-00011|as-Dimethyl sulfite|as-Dimethyl sulphite|BRN 1098586|CB1540|EINECS 200-625-0|metanosulfonato de metilo|Methanesulfonate de methyle|Methanesulfonic acid methyl ester|Methanesulfonic acid, methyl ester|Methanesulphonic acid methyl ester|Methyl ester of methanesulfonic acid|Methyl ester of methanesulphonic acid|Methyl mesylate|Methyl methanesulfonic acid|methyl methanesulphonate|Methyl methansulfonate|Methyl methansulphonate|Methyl methylsulfonate|Methylester kyseliny methansulfonove|Methylmethane sulfonate|Methylmethanesulfonate|Methylmethanesulphonate|Methylmethansulfonat|METHYLSULFONATE, METHYL|MMS|NSC 50256|NSC-50256|UNII-AT5C31J09G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020845 https://doi.org/10.22427/NTP-DATA-DTXSID7020845
ARPathway2016 ARPathway2016_1459 Methyl methanesulfonate 66-27-3 DTXSID7020845 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COS(C)(=O)=O Methyl methanesulfonate 66-27-3|Methyl methanesulfonate|4-04-00-00011|as-Dimethyl sulfite|as-Dimethyl sulphite|BRN 1098586|CB1540|EINECS 200-625-0|metanosulfonato de metilo|Methanesulfonate de methyle|Methanesulfonic acid methyl ester|Methanesulfonic acid, methyl ester|Methanesulphonic acid methyl ester|Methyl ester of methanesulfonic acid|Methyl ester of methanesulphonic acid|Methyl mesylate|Methyl methanesulfonic acid|methyl methanesulphonate|Methyl methansulfonate|Methyl methansulphonate|Methyl methylsulfonate|Methylester kyseliny methansulfonove|Methylmethane sulfonate|Methylmethanesulfonate|Methylmethanesulphonate|Methylmethansulfonat|METHYLSULFONATE, METHYL|MMS|NSC 50256|NSC-50256|UNII-AT5C31J09G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020845 https://doi.org/10.22427/NTP-DATA-DTXSID7020845
ARPathway2016 ARPathway2016_1459 Methyl methanesulfonate 66-27-3 DTXSID7020845 0.0 AR Pathway Model, Agonist Call Inactive Unitless COS(C)(=O)=O Methyl methanesulfonate 66-27-3|Methyl methanesulfonate|4-04-00-00011|as-Dimethyl sulfite|as-Dimethyl sulphite|BRN 1098586|CB1540|EINECS 200-625-0|metanosulfonato de metilo|Methanesulfonate de methyle|Methanesulfonic acid methyl ester|Methanesulfonic acid, methyl ester|Methanesulphonic acid methyl ester|Methyl ester of methanesulfonic acid|Methyl ester of methanesulphonic acid|Methyl mesylate|Methyl methanesulfonic acid|methyl methanesulphonate|Methyl methansulfonate|Methyl methansulphonate|Methyl methylsulfonate|Methylester kyseliny methansulfonove|Methylmethane sulfonate|Methylmethanesulfonate|Methylmethanesulphonate|Methylmethansulfonat|METHYLSULFONATE, METHYL|MMS|NSC 50256|NSC-50256|UNII-AT5C31J09G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020845 https://doi.org/10.22427/NTP-DATA-DTXSID7020845
ARPathway2016 ARPathway2016_1459 Methyl methanesulfonate 66-27-3 DTXSID7020845 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COS(C)(=O)=O Methyl methanesulfonate 66-27-3|Methyl methanesulfonate|4-04-00-00011|as-Dimethyl sulfite|as-Dimethyl sulphite|BRN 1098586|CB1540|EINECS 200-625-0|metanosulfonato de metilo|Methanesulfonate de methyle|Methanesulfonic acid methyl ester|Methanesulfonic acid, methyl ester|Methanesulphonic acid methyl ester|Methyl ester of methanesulfonic acid|Methyl ester of methanesulphonic acid|Methyl mesylate|Methyl methanesulfonic acid|methyl methanesulphonate|Methyl methansulfonate|Methyl methansulphonate|Methyl methylsulfonate|Methylester kyseliny methansulfonove|Methylmethane sulfonate|Methylmethanesulfonate|Methylmethanesulphonate|Methylmethansulfonat|METHYLSULFONATE, METHYL|MMS|NSC 50256|NSC-50256|UNII-AT5C31J09G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020845 https://doi.org/10.22427/NTP-DATA-DTXSID7020845
ERPathway2016 ERPathway2016_1602 Methyl methanesulfonate 66-27-3 DTXSID7020845 ER Pathway Model, Agonist Model Score 0 Unitless COS(C)(=O)=O Methyl methanesulfonate 66-27-3|Methyl methanesulfonate|4-04-00-00011|as-Dimethyl sulfite|as-Dimethyl sulphite|BRN 1098586|CB1540|EINECS 200-625-0|metanosulfonato de metilo|Methanesulfonate de methyle|Methanesulfonic acid methyl ester|Methanesulfonic acid, methyl ester|Methanesulphonic acid methyl ester|Methyl ester of methanesulfonic acid|Methyl ester of methanesulphonic acid|Methyl mesylate|Methyl methanesulfonic acid|methyl methanesulphonate|Methyl methansulfonate|Methyl methansulphonate|Methyl methylsulfonate|Methylester kyseliny methansulfonove|Methylmethane sulfonate|Methylmethanesulfonate|Methylmethanesulphonate|Methylmethansulfonat|METHYLSULFONATE, METHYL|MMS|NSC 50256|NSC-50256|UNII-AT5C31J09G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020845 https://doi.org/10.22427/NTP-DATA-DTXSID7020845
ERPathway2016 ERPathway2016_1602 Methyl methanesulfonate 66-27-3 DTXSID7020845 ER Pathway Model, Antagonist Model Score 0 Unitless COS(C)(=O)=O Methyl methanesulfonate 66-27-3|Methyl methanesulfonate|4-04-00-00011|as-Dimethyl sulfite|as-Dimethyl sulphite|BRN 1098586|CB1540|EINECS 200-625-0|metanosulfonato de metilo|Methanesulfonate de methyle|Methanesulfonic acid methyl ester|Methanesulfonic acid, methyl ester|Methanesulphonic acid methyl ester|Methyl ester of methanesulfonic acid|Methyl ester of methanesulphonic acid|Methyl mesylate|Methyl methanesulfonic acid|methyl methanesulphonate|Methyl methansulfonate|Methyl methansulphonate|Methyl methylsulfonate|Methylester kyseliny methansulfonove|Methylmethane sulfonate|Methylmethanesulfonate|Methylmethanesulphonate|Methylmethansulfonat|METHYLSULFONATE, METHYL|MMS|NSC 50256|NSC-50256|UNII-AT5C31J09G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020845 https://doi.org/10.22427/NTP-DATA-DTXSID7020845
ERPathway2016 ERPathway2016_1602 Methyl methanesulfonate 66-27-3 DTXSID7020845 ER Pathway Model, Agonist Call Inactive Unitless COS(C)(=O)=O Methyl methanesulfonate 66-27-3|Methyl methanesulfonate|4-04-00-00011|as-Dimethyl sulfite|as-Dimethyl sulphite|BRN 1098586|CB1540|EINECS 200-625-0|metanosulfonato de metilo|Methanesulfonate de methyle|Methanesulfonic acid methyl ester|Methanesulfonic acid, methyl ester|Methanesulphonic acid methyl ester|Methyl ester of methanesulfonic acid|Methyl ester of methanesulphonic acid|Methyl mesylate|Methyl methanesulfonic acid|methyl methanesulphonate|Methyl methansulfonate|Methyl methansulphonate|Methyl methylsulfonate|Methylester kyseliny methansulfonove|Methylmethane sulfonate|Methylmethanesulfonate|Methylmethanesulphonate|Methylmethansulfonat|METHYLSULFONATE, METHYL|MMS|NSC 50256|NSC-50256|UNII-AT5C31J09G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020845 https://doi.org/10.22427/NTP-DATA-DTXSID7020845
ERPathway2016 ERPathway2016_1602 Methyl methanesulfonate 66-27-3 DTXSID7020845 ER Pathway Model, Antagonist Call Inactive Unitless COS(C)(=O)=O Methyl methanesulfonate 66-27-3|Methyl methanesulfonate|4-04-00-00011|as-Dimethyl sulfite|as-Dimethyl sulphite|BRN 1098586|CB1540|EINECS 200-625-0|metanosulfonato de metilo|Methanesulfonate de methyle|Methanesulfonic acid methyl ester|Methanesulfonic acid, methyl ester|Methanesulphonic acid methyl ester|Methyl ester of methanesulfonic acid|Methyl ester of methanesulphonic acid|Methyl mesylate|Methyl methanesulfonic acid|methyl methanesulphonate|Methyl methansulfonate|Methyl methansulphonate|Methyl methylsulfonate|Methylester kyseliny methansulfonove|Methylmethane sulfonate|Methylmethanesulfonate|Methylmethanesulphonate|Methylmethansulfonat|METHYLSULFONATE, METHYL|MMS|NSC 50256|NSC-50256|UNII-AT5C31J09G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020845 https://doi.org/10.22427/NTP-DATA-DTXSID7020845
ARPathway2016 ARPathway2016_558 Methyl octanoate 111-11-5 DTXSID2026864 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCC(=O)OC Methyl octanoate 111-11-5|Methyl octanoate|4-02-00-00986|BRN 1752270|Caprylic acid methyl ester|EINECS 203-835-0|FEMA No. 2728|Methyl caprylate|Methyl n-octanoate|Methyl octylate|Methyloctanoat|NSC 3710|Octanoate de methyle|OCTANOATE, METHYL|octanoato de metilo|octanoic acid methyl ester|Octanoic acid, methyl ester|Pastell M 08|UNII-7MO740X6QL|Uniphat A 20|Uniphat A20|Witconol 1095|Witconol 2309 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026864
ARPathway2016 ARPathway2016_558 Methyl octanoate 111-11-5 DTXSID2026864 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCC(=O)OC Methyl octanoate 111-11-5|Methyl octanoate|4-02-00-00986|BRN 1752270|Caprylic acid methyl ester|EINECS 203-835-0|FEMA No. 2728|Methyl caprylate|Methyl n-octanoate|Methyl octylate|Methyloctanoat|NSC 3710|Octanoate de methyle|OCTANOATE, METHYL|octanoato de metilo|octanoic acid methyl ester|Octanoic acid, methyl ester|Pastell M 08|UNII-7MO740X6QL|Uniphat A 20|Uniphat A20|Witconol 1095|Witconol 2309 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026864
ARPathway2016 ARPathway2016_558 Methyl octanoate 111-11-5 DTXSID2026864 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCC(=O)OC Methyl octanoate 111-11-5|Methyl octanoate|4-02-00-00986|BRN 1752270|Caprylic acid methyl ester|EINECS 203-835-0|FEMA No. 2728|Methyl caprylate|Methyl n-octanoate|Methyl octylate|Methyloctanoat|NSC 3710|Octanoate de methyle|OCTANOATE, METHYL|octanoato de metilo|octanoic acid methyl ester|Octanoic acid, methyl ester|Pastell M 08|UNII-7MO740X6QL|Uniphat A 20|Uniphat A20|Witconol 1095|Witconol 2309 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026864
ARPathway2016 ARPathway2016_558 Methyl octanoate 111-11-5 DTXSID2026864 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCC(=O)OC Methyl octanoate 111-11-5|Methyl octanoate|4-02-00-00986|BRN 1752270|Caprylic acid methyl ester|EINECS 203-835-0|FEMA No. 2728|Methyl caprylate|Methyl n-octanoate|Methyl octylate|Methyloctanoat|NSC 3710|Octanoate de methyle|OCTANOATE, METHYL|octanoato de metilo|octanoic acid methyl ester|Octanoic acid, methyl ester|Pastell M 08|UNII-7MO740X6QL|Uniphat A 20|Uniphat A20|Witconol 1095|Witconol 2309 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026864
ERPathway2016 ERPathway2016_1144 Methyl octanoate 111-11-5 DTXSID2026864 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCC(=O)OC Methyl octanoate 111-11-5|Methyl octanoate|4-02-00-00986|BRN 1752270|Caprylic acid methyl ester|EINECS 203-835-0|FEMA No. 2728|Methyl caprylate|Methyl n-octanoate|Methyl octylate|Methyloctanoat|NSC 3710|Octanoate de methyle|OCTANOATE, METHYL|octanoato de metilo|octanoic acid methyl ester|Octanoic acid, methyl ester|Pastell M 08|UNII-7MO740X6QL|Uniphat A 20|Uniphat A20|Witconol 1095|Witconol 2309 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026864
ERPathway2016 ERPathway2016_1144 Methyl octanoate 111-11-5 DTXSID2026864 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCC(=O)OC Methyl octanoate 111-11-5|Methyl octanoate|4-02-00-00986|BRN 1752270|Caprylic acid methyl ester|EINECS 203-835-0|FEMA No. 2728|Methyl caprylate|Methyl n-octanoate|Methyl octylate|Methyloctanoat|NSC 3710|Octanoate de methyle|OCTANOATE, METHYL|octanoato de metilo|octanoic acid methyl ester|Octanoic acid, methyl ester|Pastell M 08|UNII-7MO740X6QL|Uniphat A 20|Uniphat A20|Witconol 1095|Witconol 2309 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026864
ERPathway2016 ERPathway2016_1144 Methyl octanoate 111-11-5 DTXSID2026864 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCC(=O)OC Methyl octanoate 111-11-5|Methyl octanoate|4-02-00-00986|BRN 1752270|Caprylic acid methyl ester|EINECS 203-835-0|FEMA No. 2728|Methyl caprylate|Methyl n-octanoate|Methyl octylate|Methyloctanoat|NSC 3710|Octanoate de methyle|OCTANOATE, METHYL|octanoato de metilo|octanoic acid methyl ester|Octanoic acid, methyl ester|Pastell M 08|UNII-7MO740X6QL|Uniphat A 20|Uniphat A20|Witconol 1095|Witconol 2309 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026864
ERPathway2016 ERPathway2016_1144 Methyl octanoate 111-11-5 DTXSID2026864 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCC(=O)OC Methyl octanoate 111-11-5|Methyl octanoate|4-02-00-00986|BRN 1752270|Caprylic acid methyl ester|EINECS 203-835-0|FEMA No. 2728|Methyl caprylate|Methyl n-octanoate|Methyl octylate|Methyloctanoat|NSC 3710|Octanoate de methyle|OCTANOATE, METHYL|octanoato de metilo|octanoic acid methyl ester|Octanoic acid, methyl ester|Pastell M 08|UNII-7MO740X6QL|Uniphat A 20|Uniphat A20|Witconol 1095|Witconol 2309 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026864
ARPathway2016 ARPathway2016_146 Methyl parathion 298-00-0 DTXSID1020855 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 4.47230592645921 uM COP(=S)(OC)OC1=CC=C(C=C1)[N+]([O-])=O Methyl parathion 298-00-0|Methyl parathion|4-06-00-01336|Azophos|Bladan-M|Bravik 600CE|BRN 1914724|Caswell No. 372|Cekumethion|Demethylfenitrothion|Devithion|Dimethyl 4-nitrophenyl phosphorothioate|Dimethyl 4-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl monothiophosphate|Dimethyl p-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl thiophosphate|Dimethyl parathion|Dimethyl-p-nitrophenyl thionphosphate|Drexel methyl parathion 4E|EINECS 206-050-1|EPA Pesticide Chemical Code 053501|EPA Shaughnessy Code: 053501|Folidol 600|Folidol M|Folidol M 40|Folidol M 50|Folidol M-40|Fosferno M 50|Kilex parathion|M-Parathion|Me-parathion|Mentox 600CE|Mepaton|Metacid|Metacide|Metaphos|Methyl 1605|Methyl Bladan|Methyl E 605|Methyl fosferno|Methyl niran|Methyl-E 605|Methylparathion|Methylthiophos|Metil paration|Metilparation|Metyloparation|Metylparation|Morphos|NCI-C02971|O,O-Dimethyl O-(4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(p-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(p-nitrophenyl) thionophosphate|O,O-|37359-35-6|63653-66-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020855 https://doi.org/10.22427/NTP-DATA-DTXSID1020855
ARPathway2016 ARPathway2016_146 Methyl parathion 298-00-0 DTXSID1020855 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 18.3178057311624 uM COP(=S)(OC)OC1=CC=C(C=C1)[N+]([O-])=O Methyl parathion 298-00-0|Methyl parathion|4-06-00-01336|Azophos|Bladan-M|Bravik 600CE|BRN 1914724|Caswell No. 372|Cekumethion|Demethylfenitrothion|Devithion|Dimethyl 4-nitrophenyl phosphorothioate|Dimethyl 4-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl monothiophosphate|Dimethyl p-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl thiophosphate|Dimethyl parathion|Dimethyl-p-nitrophenyl thionphosphate|Drexel methyl parathion 4E|EINECS 206-050-1|EPA Pesticide Chemical Code 053501|EPA Shaughnessy Code: 053501|Folidol 600|Folidol M|Folidol M 40|Folidol M 50|Folidol M-40|Fosferno M 50|Kilex parathion|M-Parathion|Me-parathion|Mentox 600CE|Mepaton|Metacid|Metacide|Metaphos|Methyl 1605|Methyl Bladan|Methyl E 605|Methyl fosferno|Methyl niran|Methyl-E 605|Methylparathion|Methylthiophos|Metil paration|Metilparation|Metyloparation|Metylparation|Morphos|NCI-C02971|O,O-Dimethyl O-(4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(p-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(p-nitrophenyl) thionophosphate|O,O-|37359-35-6|63653-66-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020855 https://doi.org/10.22427/NTP-DATA-DTXSID1020855
ARPathway2016 ARPathway2016_146 Methyl parathion 298-00-0 DTXSID1020855 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.155 Unitless COP(=S)(OC)OC1=CC=C(C=C1)[N+]([O-])=O Methyl parathion 298-00-0|Methyl parathion|4-06-00-01336|Azophos|Bladan-M|Bravik 600CE|BRN 1914724|Caswell No. 372|Cekumethion|Demethylfenitrothion|Devithion|Dimethyl 4-nitrophenyl phosphorothioate|Dimethyl 4-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl monothiophosphate|Dimethyl p-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl thiophosphate|Dimethyl parathion|Dimethyl-p-nitrophenyl thionphosphate|Drexel methyl parathion 4E|EINECS 206-050-1|EPA Pesticide Chemical Code 053501|EPA Shaughnessy Code: 053501|Folidol 600|Folidol M|Folidol M 40|Folidol M 50|Folidol M-40|Fosferno M 50|Kilex parathion|M-Parathion|Me-parathion|Mentox 600CE|Mepaton|Metacid|Metacide|Metaphos|Methyl 1605|Methyl Bladan|Methyl E 605|Methyl fosferno|Methyl niran|Methyl-E 605|Methylparathion|Methylthiophos|Metil paration|Metilparation|Metyloparation|Metylparation|Morphos|NCI-C02971|O,O-Dimethyl O-(4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(p-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(p-nitrophenyl) thionophosphate|O,O-|37359-35-6|63653-66-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020855 https://doi.org/10.22427/NTP-DATA-DTXSID1020855
ARPathway2016 ARPathway2016_146 Methyl parathion 298-00-0 DTXSID1020855 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless COP(=S)(OC)OC1=CC=C(C=C1)[N+]([O-])=O Methyl parathion 298-00-0|Methyl parathion|4-06-00-01336|Azophos|Bladan-M|Bravik 600CE|BRN 1914724|Caswell No. 372|Cekumethion|Demethylfenitrothion|Devithion|Dimethyl 4-nitrophenyl phosphorothioate|Dimethyl 4-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl monothiophosphate|Dimethyl p-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl thiophosphate|Dimethyl parathion|Dimethyl-p-nitrophenyl thionphosphate|Drexel methyl parathion 4E|EINECS 206-050-1|EPA Pesticide Chemical Code 053501|EPA Shaughnessy Code: 053501|Folidol 600|Folidol M|Folidol M 40|Folidol M 50|Folidol M-40|Fosferno M 50|Kilex parathion|M-Parathion|Me-parathion|Mentox 600CE|Mepaton|Metacid|Metacide|Metaphos|Methyl 1605|Methyl Bladan|Methyl E 605|Methyl fosferno|Methyl niran|Methyl-E 605|Methylparathion|Methylthiophos|Metil paration|Metilparation|Metyloparation|Metylparation|Morphos|NCI-C02971|O,O-Dimethyl O-(4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(p-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(p-nitrophenyl) thionophosphate|O,O-|37359-35-6|63653-66-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020855 https://doi.org/10.22427/NTP-DATA-DTXSID1020855
ARPathway2016 ARPathway2016_146 Methyl parathion 298-00-0 DTXSID1020855 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless COP(=S)(OC)OC1=CC=C(C=C1)[N+]([O-])=O Methyl parathion 298-00-0|Methyl parathion|4-06-00-01336|Azophos|Bladan-M|Bravik 600CE|BRN 1914724|Caswell No. 372|Cekumethion|Demethylfenitrothion|Devithion|Dimethyl 4-nitrophenyl phosphorothioate|Dimethyl 4-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl monothiophosphate|Dimethyl p-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl thiophosphate|Dimethyl parathion|Dimethyl-p-nitrophenyl thionphosphate|Drexel methyl parathion 4E|EINECS 206-050-1|EPA Pesticide Chemical Code 053501|EPA Shaughnessy Code: 053501|Folidol 600|Folidol M|Folidol M 40|Folidol M 50|Folidol M-40|Fosferno M 50|Kilex parathion|M-Parathion|Me-parathion|Mentox 600CE|Mepaton|Metacid|Metacide|Metaphos|Methyl 1605|Methyl Bladan|Methyl E 605|Methyl fosferno|Methyl niran|Methyl-E 605|Methylparathion|Methylthiophos|Metil paration|Metilparation|Metyloparation|Metylparation|Morphos|NCI-C02971|O,O-Dimethyl O-(4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(p-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(p-nitrophenyl) thionophosphate|O,O-|37359-35-6|63653-66-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020855 https://doi.org/10.22427/NTP-DATA-DTXSID1020855
ARPathway2016 ARPathway2016_146 Methyl parathion 298-00-0 DTXSID1020855 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless COP(=S)(OC)OC1=CC=C(C=C1)[N+]([O-])=O Methyl parathion 298-00-0|Methyl parathion|4-06-00-01336|Azophos|Bladan-M|Bravik 600CE|BRN 1914724|Caswell No. 372|Cekumethion|Demethylfenitrothion|Devithion|Dimethyl 4-nitrophenyl phosphorothioate|Dimethyl 4-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl monothiophosphate|Dimethyl p-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl thiophosphate|Dimethyl parathion|Dimethyl-p-nitrophenyl thionphosphate|Drexel methyl parathion 4E|EINECS 206-050-1|EPA Pesticide Chemical Code 053501|EPA Shaughnessy Code: 053501|Folidol 600|Folidol M|Folidol M 40|Folidol M 50|Folidol M-40|Fosferno M 50|Kilex parathion|M-Parathion|Me-parathion|Mentox 600CE|Mepaton|Metacid|Metacide|Metaphos|Methyl 1605|Methyl Bladan|Methyl E 605|Methyl fosferno|Methyl niran|Methyl-E 605|Methylparathion|Methylthiophos|Metil paration|Metilparation|Metyloparation|Metylparation|Morphos|NCI-C02971|O,O-Dimethyl O-(4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(p-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(p-nitrophenyl) thionophosphate|O,O-|37359-35-6|63653-66-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020855 https://doi.org/10.22427/NTP-DATA-DTXSID1020855
ERPathway2016 ERPathway2016_1437 Methyl parathion 298-00-0 DTXSID1020855 ER Pathway Model, Agonist Model Score 0 Unitless COP(=S)(OC)OC1=CC=C(C=C1)[N+]([O-])=O Methyl parathion 298-00-0|Methyl parathion|4-06-00-01336|Azophos|Bladan-M|Bravik 600CE|BRN 1914724|Caswell No. 372|Cekumethion|Demethylfenitrothion|Devithion|Dimethyl 4-nitrophenyl phosphorothioate|Dimethyl 4-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl monothiophosphate|Dimethyl p-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl thiophosphate|Dimethyl parathion|Dimethyl-p-nitrophenyl thionphosphate|Drexel methyl parathion 4E|EINECS 206-050-1|EPA Pesticide Chemical Code 053501|EPA Shaughnessy Code: 053501|Folidol 600|Folidol M|Folidol M 40|Folidol M 50|Folidol M-40|Fosferno M 50|Kilex parathion|M-Parathion|Me-parathion|Mentox 600CE|Mepaton|Metacid|Metacide|Metaphos|Methyl 1605|Methyl Bladan|Methyl E 605|Methyl fosferno|Methyl niran|Methyl-E 605|Methylparathion|Methylthiophos|Metil paration|Metilparation|Metyloparation|Metylparation|Morphos|NCI-C02971|O,O-Dimethyl O-(4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(p-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(p-nitrophenyl) thionophosphate|O,O-|37359-35-6|63653-66-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020855 https://doi.org/10.22427/NTP-DATA-DTXSID1020855
ERPathway2016 ERPathway2016_1437 Methyl parathion 298-00-0 DTXSID1020855 ER Pathway Model, Antagonist Model Score 0 Unitless COP(=S)(OC)OC1=CC=C(C=C1)[N+]([O-])=O Methyl parathion 298-00-0|Methyl parathion|4-06-00-01336|Azophos|Bladan-M|Bravik 600CE|BRN 1914724|Caswell No. 372|Cekumethion|Demethylfenitrothion|Devithion|Dimethyl 4-nitrophenyl phosphorothioate|Dimethyl 4-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl monothiophosphate|Dimethyl p-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl thiophosphate|Dimethyl parathion|Dimethyl-p-nitrophenyl thionphosphate|Drexel methyl parathion 4E|EINECS 206-050-1|EPA Pesticide Chemical Code 053501|EPA Shaughnessy Code: 053501|Folidol 600|Folidol M|Folidol M 40|Folidol M 50|Folidol M-40|Fosferno M 50|Kilex parathion|M-Parathion|Me-parathion|Mentox 600CE|Mepaton|Metacid|Metacide|Metaphos|Methyl 1605|Methyl Bladan|Methyl E 605|Methyl fosferno|Methyl niran|Methyl-E 605|Methylparathion|Methylthiophos|Metil paration|Metilparation|Metyloparation|Metylparation|Morphos|NCI-C02971|O,O-Dimethyl O-(4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(p-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(p-nitrophenyl) thionophosphate|O,O-|37359-35-6|63653-66-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020855 https://doi.org/10.22427/NTP-DATA-DTXSID1020855
ERPathway2016 ERPathway2016_1437 Methyl parathion 298-00-0 DTXSID1020855 ER Pathway Model, Agonist Call Inactive Unitless COP(=S)(OC)OC1=CC=C(C=C1)[N+]([O-])=O Methyl parathion 298-00-0|Methyl parathion|4-06-00-01336|Azophos|Bladan-M|Bravik 600CE|BRN 1914724|Caswell No. 372|Cekumethion|Demethylfenitrothion|Devithion|Dimethyl 4-nitrophenyl phosphorothioate|Dimethyl 4-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl monothiophosphate|Dimethyl p-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl thiophosphate|Dimethyl parathion|Dimethyl-p-nitrophenyl thionphosphate|Drexel methyl parathion 4E|EINECS 206-050-1|EPA Pesticide Chemical Code 053501|EPA Shaughnessy Code: 053501|Folidol 600|Folidol M|Folidol M 40|Folidol M 50|Folidol M-40|Fosferno M 50|Kilex parathion|M-Parathion|Me-parathion|Mentox 600CE|Mepaton|Metacid|Metacide|Metaphos|Methyl 1605|Methyl Bladan|Methyl E 605|Methyl fosferno|Methyl niran|Methyl-E 605|Methylparathion|Methylthiophos|Metil paration|Metilparation|Metyloparation|Metylparation|Morphos|NCI-C02971|O,O-Dimethyl O-(4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(p-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(p-nitrophenyl) thionophosphate|O,O-|37359-35-6|63653-66-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020855 https://doi.org/10.22427/NTP-DATA-DTXSID1020855
ERPathway2016 ERPathway2016_1437 Methyl parathion 298-00-0 DTXSID1020855 ER Pathway Model, Antagonist Call Inactive Unitless COP(=S)(OC)OC1=CC=C(C=C1)[N+]([O-])=O Methyl parathion 298-00-0|Methyl parathion|4-06-00-01336|Azophos|Bladan-M|Bravik 600CE|BRN 1914724|Caswell No. 372|Cekumethion|Demethylfenitrothion|Devithion|Dimethyl 4-nitrophenyl phosphorothioate|Dimethyl 4-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl monothiophosphate|Dimethyl p-nitrophenyl phosphorothionate|Dimethyl p-nitrophenyl thiophosphate|Dimethyl parathion|Dimethyl-p-nitrophenyl thionphosphate|Drexel methyl parathion 4E|EINECS 206-050-1|EPA Pesticide Chemical Code 053501|EPA Shaughnessy Code: 053501|Folidol 600|Folidol M|Folidol M 40|Folidol M 50|Folidol M-40|Fosferno M 50|Kilex parathion|M-Parathion|Me-parathion|Mentox 600CE|Mepaton|Metacid|Metacide|Metaphos|Methyl 1605|Methyl Bladan|Methyl E 605|Methyl fosferno|Methyl niran|Methyl-E 605|Methylparathion|Methylthiophos|Metil paration|Metilparation|Metyloparation|Metylparation|Morphos|NCI-C02971|O,O-Dimethyl O-(4-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(4-nitrophenyl) thiophosphate|O,O-Dimethyl O-(p-nitrophenyl) phosphorothioate|O,O-Dimethyl O-(p-nitrophenyl) thionophosphate|O,O-|37359-35-6|63653-66-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020855 https://doi.org/10.22427/NTP-DATA-DTXSID1020855
ARPathway2016 ARPathway2016_184 Methyl red 493-52-7 DTXSID1042154 True antagonist shift (No hit/Hit) 3.0 A5 AR Pathway Model, Agonist AC50 29.6823397 uM CN(C)C1=CC=C(C=C1)N=NC1=C(C=CC=C1)C(O)=O Methyl red 493-52-7|Methyl red|2-((4-DIMETHYLAMINO)PHENYL)AZO)-BENZOIC ACID|2-((4-Dimethylamino)phenylazo)benzoic acid|2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID|2-(4-Dimethylaminophenylazo)benzoesaeure|2-(4-dimethylaminophenylazo)benzoic acid|2-[(p-Dimethylamino)phenyl]azobenzoic acid|2-[[4-(Dimethylamino)phenyl]azo]benzoic acid|2-Carboxy-4'-(dimethylamino)azobenzene|4-(2-Carboxyphenylazo)-N,N-dimethylaniline|4-Dimethylamino-2'-carboxylazobenzene|4'-(Dimethylamino)azobenzene-2-carboxylic acid|4'-Dimethylaminoazobenzene-2-carboxylic acid|Acide 2-(4-dimethylaminophenylazo)benzoique|acido 2-(4-dimetilaminofenilazo)benzoico|Benzoic acid, 2-((4-dimethylamino)phenylazo)-|BENZOIC ACID, 2-[(4-(DIMETHYLAMINO)PHENYL]AZO]-|Benzoic acid, 2-[[4-(dimethylamino)phenyl]azo]-|Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-|Benzoic acid, o-((p-(dimethylamino)phenyl)azo)-|C.I. acid red 002|C.I. Acid Red 2|Cerven kysela 2|Cerven methylova|CI Acid Red 2|Dimethylaminoazobenzene-2-carboxylic acid|EINECS 207-776-1|Methyl red C.I. 13020|NSC 215212|NSC 3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1042154
ARPathway2016 ARPathway2016_184 Methyl red 493-52-7 DTXSID1042154 True antagonist shift (No hit/Hit) 3.0 A5 AR Pathway Model, Agonist ACC 29.16417703 uM CN(C)C1=CC=C(C=C1)N=NC1=C(C=CC=C1)C(O)=O Methyl red 493-52-7|Methyl red|2-((4-DIMETHYLAMINO)PHENYL)AZO)-BENZOIC ACID|2-((4-Dimethylamino)phenylazo)benzoic acid|2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID|2-(4-Dimethylaminophenylazo)benzoesaeure|2-(4-dimethylaminophenylazo)benzoic acid|2-[(p-Dimethylamino)phenyl]azobenzoic acid|2-[[4-(Dimethylamino)phenyl]azo]benzoic acid|2-Carboxy-4'-(dimethylamino)azobenzene|4-(2-Carboxyphenylazo)-N,N-dimethylaniline|4-Dimethylamino-2'-carboxylazobenzene|4'-(Dimethylamino)azobenzene-2-carboxylic acid|4'-Dimethylaminoazobenzene-2-carboxylic acid|Acide 2-(4-dimethylaminophenylazo)benzoique|acido 2-(4-dimetilaminofenilazo)benzoico|Benzoic acid, 2-((4-dimethylamino)phenylazo)-|BENZOIC ACID, 2-[(4-(DIMETHYLAMINO)PHENYL]AZO]-|Benzoic acid, 2-[[4-(dimethylamino)phenyl]azo]-|Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-|Benzoic acid, o-((p-(dimethylamino)phenyl)azo)-|C.I. acid red 002|C.I. Acid Red 2|Cerven kysela 2|Cerven methylova|CI Acid Red 2|Dimethylaminoazobenzene-2-carboxylic acid|EINECS 207-776-1|Methyl red C.I. 13020|NSC 215212|NSC 3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1042154
ARPathway2016 ARPathway2016_184 Methyl red 493-52-7 DTXSID1042154 True antagonist shift (No hit/Hit) 3.0 A5 AR Pathway Model, Antagonist Model Score 0.0381 Unitless CN(C)C1=CC=C(C=C1)N=NC1=C(C=CC=C1)C(O)=O Methyl red 493-52-7|Methyl red|2-((4-DIMETHYLAMINO)PHENYL)AZO)-BENZOIC ACID|2-((4-Dimethylamino)phenylazo)benzoic acid|2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID|2-(4-Dimethylaminophenylazo)benzoesaeure|2-(4-dimethylaminophenylazo)benzoic acid|2-[(p-Dimethylamino)phenyl]azobenzoic acid|2-[[4-(Dimethylamino)phenyl]azo]benzoic acid|2-Carboxy-4'-(dimethylamino)azobenzene|4-(2-Carboxyphenylazo)-N,N-dimethylaniline|4-Dimethylamino-2'-carboxylazobenzene|4'-(Dimethylamino)azobenzene-2-carboxylic acid|4'-Dimethylaminoazobenzene-2-carboxylic acid|Acide 2-(4-dimethylaminophenylazo)benzoique|acido 2-(4-dimetilaminofenilazo)benzoico|Benzoic acid, 2-((4-dimethylamino)phenylazo)-|BENZOIC ACID, 2-[(4-(DIMETHYLAMINO)PHENYL]AZO]-|Benzoic acid, 2-[[4-(dimethylamino)phenyl]azo]-|Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-|Benzoic acid, o-((p-(dimethylamino)phenyl)azo)-|C.I. acid red 002|C.I. Acid Red 2|Cerven kysela 2|Cerven methylova|CI Acid Red 2|Dimethylaminoazobenzene-2-carboxylic acid|EINECS 207-776-1|Methyl red C.I. 13020|NSC 215212|NSC 3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1042154
ARPathway2016 ARPathway2016_184 Methyl red 493-52-7 DTXSID1042154 True antagonist shift (No hit/Hit) 3.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C1=CC=C(C=C1)N=NC1=C(C=CC=C1)C(O)=O Methyl red 493-52-7|Methyl red|2-((4-DIMETHYLAMINO)PHENYL)AZO)-BENZOIC ACID|2-((4-Dimethylamino)phenylazo)benzoic acid|2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID|2-(4-Dimethylaminophenylazo)benzoesaeure|2-(4-dimethylaminophenylazo)benzoic acid|2-[(p-Dimethylamino)phenyl]azobenzoic acid|2-[[4-(Dimethylamino)phenyl]azo]benzoic acid|2-Carboxy-4'-(dimethylamino)azobenzene|4-(2-Carboxyphenylazo)-N,N-dimethylaniline|4-Dimethylamino-2'-carboxylazobenzene|4'-(Dimethylamino)azobenzene-2-carboxylic acid|4'-Dimethylaminoazobenzene-2-carboxylic acid|Acide 2-(4-dimethylaminophenylazo)benzoique|acido 2-(4-dimetilaminofenilazo)benzoico|Benzoic acid, 2-((4-dimethylamino)phenylazo)-|BENZOIC ACID, 2-[(4-(DIMETHYLAMINO)PHENYL]AZO]-|Benzoic acid, 2-[[4-(dimethylamino)phenyl]azo]-|Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-|Benzoic acid, o-((p-(dimethylamino)phenyl)azo)-|C.I. acid red 002|C.I. Acid Red 2|Cerven kysela 2|Cerven methylova|CI Acid Red 2|Dimethylaminoazobenzene-2-carboxylic acid|EINECS 207-776-1|Methyl red C.I. 13020|NSC 215212|NSC 3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1042154
ARPathway2016 ARPathway2016_184 Methyl red 493-52-7 DTXSID1042154 True antagonist shift (No hit/Hit) 3.0 A5 AR Pathway Model, Agonist Call Active Unitless CN(C)C1=CC=C(C=C1)N=NC1=C(C=CC=C1)C(O)=O Methyl red 493-52-7|Methyl red|2-((4-DIMETHYLAMINO)PHENYL)AZO)-BENZOIC ACID|2-((4-Dimethylamino)phenylazo)benzoic acid|2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID|2-(4-Dimethylaminophenylazo)benzoesaeure|2-(4-dimethylaminophenylazo)benzoic acid|2-[(p-Dimethylamino)phenyl]azobenzoic acid|2-[[4-(Dimethylamino)phenyl]azo]benzoic acid|2-Carboxy-4'-(dimethylamino)azobenzene|4-(2-Carboxyphenylazo)-N,N-dimethylaniline|4-Dimethylamino-2'-carboxylazobenzene|4'-(Dimethylamino)azobenzene-2-carboxylic acid|4'-Dimethylaminoazobenzene-2-carboxylic acid|Acide 2-(4-dimethylaminophenylazo)benzoique|acido 2-(4-dimetilaminofenilazo)benzoico|Benzoic acid, 2-((4-dimethylamino)phenylazo)-|BENZOIC ACID, 2-[(4-(DIMETHYLAMINO)PHENYL]AZO]-|Benzoic acid, 2-[[4-(dimethylamino)phenyl]azo]-|Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-|Benzoic acid, o-((p-(dimethylamino)phenyl)azo)-|C.I. acid red 002|C.I. Acid Red 2|Cerven kysela 2|Cerven methylova|CI Acid Red 2|Dimethylaminoazobenzene-2-carboxylic acid|EINECS 207-776-1|Methyl red C.I. 13020|NSC 215212|NSC 3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1042154
ARPathway2016 ARPathway2016_184 Methyl red 493-52-7 DTXSID1042154 True antagonist shift (No hit/Hit) 3.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C1=CC=C(C=C1)N=NC1=C(C=CC=C1)C(O)=O Methyl red 493-52-7|Methyl red|2-((4-DIMETHYLAMINO)PHENYL)AZO)-BENZOIC ACID|2-((4-Dimethylamino)phenylazo)benzoic acid|2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID|2-(4-Dimethylaminophenylazo)benzoesaeure|2-(4-dimethylaminophenylazo)benzoic acid|2-[(p-Dimethylamino)phenyl]azobenzoic acid|2-[[4-(Dimethylamino)phenyl]azo]benzoic acid|2-Carboxy-4'-(dimethylamino)azobenzene|4-(2-Carboxyphenylazo)-N,N-dimethylaniline|4-Dimethylamino-2'-carboxylazobenzene|4'-(Dimethylamino)azobenzene-2-carboxylic acid|4'-Dimethylaminoazobenzene-2-carboxylic acid|Acide 2-(4-dimethylaminophenylazo)benzoique|acido 2-(4-dimetilaminofenilazo)benzoico|Benzoic acid, 2-((4-dimethylamino)phenylazo)-|BENZOIC ACID, 2-[(4-(DIMETHYLAMINO)PHENYL]AZO]-|Benzoic acid, 2-[[4-(dimethylamino)phenyl]azo]-|Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-|Benzoic acid, o-((p-(dimethylamino)phenyl)azo)-|C.I. acid red 002|C.I. Acid Red 2|Cerven kysela 2|Cerven methylova|CI Acid Red 2|Dimethylaminoazobenzene-2-carboxylic acid|EINECS 207-776-1|Methyl red C.I. 13020|NSC 215212|NSC 3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1042154
ERPathway2016 ERPathway2016_983 Methyl red 493-52-7 DTXSID1042154 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)C1=CC=C(C=C1)N=NC1=C(C=CC=C1)C(O)=O Methyl red 493-52-7|Methyl red|2-((4-DIMETHYLAMINO)PHENYL)AZO)-BENZOIC ACID|2-((4-Dimethylamino)phenylazo)benzoic acid|2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID|2-(4-Dimethylaminophenylazo)benzoesaeure|2-(4-dimethylaminophenylazo)benzoic acid|2-[(p-Dimethylamino)phenyl]azobenzoic acid|2-[[4-(Dimethylamino)phenyl]azo]benzoic acid|2-Carboxy-4'-(dimethylamino)azobenzene|4-(2-Carboxyphenylazo)-N,N-dimethylaniline|4-Dimethylamino-2'-carboxylazobenzene|4'-(Dimethylamino)azobenzene-2-carboxylic acid|4'-Dimethylaminoazobenzene-2-carboxylic acid|Acide 2-(4-dimethylaminophenylazo)benzoique|acido 2-(4-dimetilaminofenilazo)benzoico|Benzoic acid, 2-((4-dimethylamino)phenylazo)-|BENZOIC ACID, 2-[(4-(DIMETHYLAMINO)PHENYL]AZO]-|Benzoic acid, 2-[[4-(dimethylamino)phenyl]azo]-|Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-|Benzoic acid, o-((p-(dimethylamino)phenyl)azo)-|C.I. acid red 002|C.I. Acid Red 2|Cerven kysela 2|Cerven methylova|CI Acid Red 2|Dimethylaminoazobenzene-2-carboxylic acid|EINECS 207-776-1|Methyl red C.I. 13020|NSC 215212|NSC 3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1042154
ERPathway2016 ERPathway2016_983 Methyl red 493-52-7 DTXSID1042154 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C1=CC=C(C=C1)N=NC1=C(C=CC=C1)C(O)=O Methyl red 493-52-7|Methyl red|2-((4-DIMETHYLAMINO)PHENYL)AZO)-BENZOIC ACID|2-((4-Dimethylamino)phenylazo)benzoic acid|2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID|2-(4-Dimethylaminophenylazo)benzoesaeure|2-(4-dimethylaminophenylazo)benzoic acid|2-[(p-Dimethylamino)phenyl]azobenzoic acid|2-[[4-(Dimethylamino)phenyl]azo]benzoic acid|2-Carboxy-4'-(dimethylamino)azobenzene|4-(2-Carboxyphenylazo)-N,N-dimethylaniline|4-Dimethylamino-2'-carboxylazobenzene|4'-(Dimethylamino)azobenzene-2-carboxylic acid|4'-Dimethylaminoazobenzene-2-carboxylic acid|Acide 2-(4-dimethylaminophenylazo)benzoique|acido 2-(4-dimetilaminofenilazo)benzoico|Benzoic acid, 2-((4-dimethylamino)phenylazo)-|BENZOIC ACID, 2-[(4-(DIMETHYLAMINO)PHENYL]AZO]-|Benzoic acid, 2-[[4-(dimethylamino)phenyl]azo]-|Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-|Benzoic acid, o-((p-(dimethylamino)phenyl)azo)-|C.I. acid red 002|C.I. Acid Red 2|Cerven kysela 2|Cerven methylova|CI Acid Red 2|Dimethylaminoazobenzene-2-carboxylic acid|EINECS 207-776-1|Methyl red C.I. 13020|NSC 215212|NSC 3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1042154
ERPathway2016 ERPathway2016_983 Methyl red 493-52-7 DTXSID1042154 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C1=CC=C(C=C1)N=NC1=C(C=CC=C1)C(O)=O Methyl red 493-52-7|Methyl red|2-((4-DIMETHYLAMINO)PHENYL)AZO)-BENZOIC ACID|2-((4-Dimethylamino)phenylazo)benzoic acid|2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID|2-(4-Dimethylaminophenylazo)benzoesaeure|2-(4-dimethylaminophenylazo)benzoic acid|2-[(p-Dimethylamino)phenyl]azobenzoic acid|2-[[4-(Dimethylamino)phenyl]azo]benzoic acid|2-Carboxy-4'-(dimethylamino)azobenzene|4-(2-Carboxyphenylazo)-N,N-dimethylaniline|4-Dimethylamino-2'-carboxylazobenzene|4'-(Dimethylamino)azobenzene-2-carboxylic acid|4'-Dimethylaminoazobenzene-2-carboxylic acid|Acide 2-(4-dimethylaminophenylazo)benzoique|acido 2-(4-dimetilaminofenilazo)benzoico|Benzoic acid, 2-((4-dimethylamino)phenylazo)-|BENZOIC ACID, 2-[(4-(DIMETHYLAMINO)PHENYL]AZO]-|Benzoic acid, 2-[[4-(dimethylamino)phenyl]azo]-|Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-|Benzoic acid, o-((p-(dimethylamino)phenyl)azo)-|C.I. acid red 002|C.I. Acid Red 2|Cerven kysela 2|Cerven methylova|CI Acid Red 2|Dimethylaminoazobenzene-2-carboxylic acid|EINECS 207-776-1|Methyl red C.I. 13020|NSC 215212|NSC 3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1042154
ERPathway2016 ERPathway2016_983 Methyl red 493-52-7 DTXSID1042154 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)C1=CC=C(C=C1)N=NC1=C(C=CC=C1)C(O)=O Methyl red 493-52-7|Methyl red|2-((4-DIMETHYLAMINO)PHENYL)AZO)-BENZOIC ACID|2-((4-Dimethylamino)phenylazo)benzoic acid|2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID|2-(4-Dimethylaminophenylazo)benzoesaeure|2-(4-dimethylaminophenylazo)benzoic acid|2-[(p-Dimethylamino)phenyl]azobenzoic acid|2-[[4-(Dimethylamino)phenyl]azo]benzoic acid|2-Carboxy-4'-(dimethylamino)azobenzene|4-(2-Carboxyphenylazo)-N,N-dimethylaniline|4-Dimethylamino-2'-carboxylazobenzene|4'-(Dimethylamino)azobenzene-2-carboxylic acid|4'-Dimethylaminoazobenzene-2-carboxylic acid|Acide 2-(4-dimethylaminophenylazo)benzoique|acido 2-(4-dimetilaminofenilazo)benzoico|Benzoic acid, 2-((4-dimethylamino)phenylazo)-|BENZOIC ACID, 2-[(4-(DIMETHYLAMINO)PHENYL]AZO]-|Benzoic acid, 2-[[4-(dimethylamino)phenyl]azo]-|Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-|Benzoic acid, o-((p-(dimethylamino)phenyl)azo)-|C.I. acid red 002|C.I. Acid Red 2|Cerven kysela 2|Cerven methylova|CI Acid Red 2|Dimethylaminoazobenzene-2-carboxylic acid|EINECS 207-776-1|Methyl red C.I. 13020|NSC 215212|NSC 3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1042154
ARPathway2016 ARPathway2016_657 Methyl salicylate 119-36-8 DTXSID5025659 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=C(O)C=CC=C1 Methyl salicylate 119-36-8|Methyl salicylate|2-(Methoxycarbonyl)phenol|2-Carbomethoxyphenol|2-Hydroxybenzoic acid methyl ester|2-Hydroxybenzoic acid, methyl ester|204-317-7|4-10-00-00143|Analgit|Anthrapole ND|Benzoic acid, 2-hydroxy-, methyl ester|Betula Lenta|Betula oil|BRN 0971516|Caswell No. 577|EC No.: 204-317-7|EINECS 204-317-7|Exagien|FEMA No. 2745|Flucarmit|Gaultheria oil|Gaultheria oil, artificial|Gaultheriaoel|Methyl 2-hydroxybenzoate|Methyl ester 2-hydroxy-benzoic acid|Methyl o-hydroxybenzoate|Methyl salicylate and Oil of Wintergreen|Methyl salicylate, 8CI|Methylester kyseliny salicylove|Methylsalicylat|Metylester kyseliny salicylove|Natural wintergreen oil|NSC 8204|o-Hydroxybenzoic acid methyl ester|O-Hydroxybenzoic acid, methyl ester|Oil of wintergreen|P.C. Code 076601|PC Code 076601|PredaLure|salicilato de metilo|Salicylate de methyle|SALICYLATE, METHYL|Salicylic acid, methyl ester|SALICYLSAEURE-METHYLESTER|Spicewood Oil|Sweet birch oil|Synthetic wintergreen oil|Teaberry oil|Wintergreen oil, synthetic|Wintergruenoel|648434-07-5|8022-86-4|8024-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025659 https://doi.org/10.22427/NTP-DATA-DTXSID5025659
ARPathway2016 ARPathway2016_657 Methyl salicylate 119-36-8 DTXSID5025659 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=C(O)C=CC=C1 Methyl salicylate 119-36-8|Methyl salicylate|2-(Methoxycarbonyl)phenol|2-Carbomethoxyphenol|2-Hydroxybenzoic acid methyl ester|2-Hydroxybenzoic acid, methyl ester|204-317-7|4-10-00-00143|Analgit|Anthrapole ND|Benzoic acid, 2-hydroxy-, methyl ester|Betula Lenta|Betula oil|BRN 0971516|Caswell No. 577|EC No.: 204-317-7|EINECS 204-317-7|Exagien|FEMA No. 2745|Flucarmit|Gaultheria oil|Gaultheria oil, artificial|Gaultheriaoel|Methyl 2-hydroxybenzoate|Methyl ester 2-hydroxy-benzoic acid|Methyl o-hydroxybenzoate|Methyl salicylate and Oil of Wintergreen|Methyl salicylate, 8CI|Methylester kyseliny salicylove|Methylsalicylat|Metylester kyseliny salicylove|Natural wintergreen oil|NSC 8204|o-Hydroxybenzoic acid methyl ester|O-Hydroxybenzoic acid, methyl ester|Oil of wintergreen|P.C. Code 076601|PC Code 076601|PredaLure|salicilato de metilo|Salicylate de methyle|SALICYLATE, METHYL|Salicylic acid, methyl ester|SALICYLSAEURE-METHYLESTER|Spicewood Oil|Sweet birch oil|Synthetic wintergreen oil|Teaberry oil|Wintergreen oil, synthetic|Wintergruenoel|648434-07-5|8022-86-4|8024-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025659 https://doi.org/10.22427/NTP-DATA-DTXSID5025659
ARPathway2016 ARPathway2016_657 Methyl salicylate 119-36-8 DTXSID5025659 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=C(O)C=CC=C1 Methyl salicylate 119-36-8|Methyl salicylate|2-(Methoxycarbonyl)phenol|2-Carbomethoxyphenol|2-Hydroxybenzoic acid methyl ester|2-Hydroxybenzoic acid, methyl ester|204-317-7|4-10-00-00143|Analgit|Anthrapole ND|Benzoic acid, 2-hydroxy-, methyl ester|Betula Lenta|Betula oil|BRN 0971516|Caswell No. 577|EC No.: 204-317-7|EINECS 204-317-7|Exagien|FEMA No. 2745|Flucarmit|Gaultheria oil|Gaultheria oil, artificial|Gaultheriaoel|Methyl 2-hydroxybenzoate|Methyl ester 2-hydroxy-benzoic acid|Methyl o-hydroxybenzoate|Methyl salicylate and Oil of Wintergreen|Methyl salicylate, 8CI|Methylester kyseliny salicylove|Methylsalicylat|Metylester kyseliny salicylove|Natural wintergreen oil|NSC 8204|o-Hydroxybenzoic acid methyl ester|O-Hydroxybenzoic acid, methyl ester|Oil of wintergreen|P.C. Code 076601|PC Code 076601|PredaLure|salicilato de metilo|Salicylate de methyle|SALICYLATE, METHYL|Salicylic acid, methyl ester|SALICYLSAEURE-METHYLESTER|Spicewood Oil|Sweet birch oil|Synthetic wintergreen oil|Teaberry oil|Wintergreen oil, synthetic|Wintergruenoel|648434-07-5|8022-86-4|8024-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025659 https://doi.org/10.22427/NTP-DATA-DTXSID5025659
ARPathway2016 ARPathway2016_657 Methyl salicylate 119-36-8 DTXSID5025659 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=C(O)C=CC=C1 Methyl salicylate 119-36-8|Methyl salicylate|2-(Methoxycarbonyl)phenol|2-Carbomethoxyphenol|2-Hydroxybenzoic acid methyl ester|2-Hydroxybenzoic acid, methyl ester|204-317-7|4-10-00-00143|Analgit|Anthrapole ND|Benzoic acid, 2-hydroxy-, methyl ester|Betula Lenta|Betula oil|BRN 0971516|Caswell No. 577|EC No.: 204-317-7|EINECS 204-317-7|Exagien|FEMA No. 2745|Flucarmit|Gaultheria oil|Gaultheria oil, artificial|Gaultheriaoel|Methyl 2-hydroxybenzoate|Methyl ester 2-hydroxy-benzoic acid|Methyl o-hydroxybenzoate|Methyl salicylate and Oil of Wintergreen|Methyl salicylate, 8CI|Methylester kyseliny salicylove|Methylsalicylat|Metylester kyseliny salicylove|Natural wintergreen oil|NSC 8204|o-Hydroxybenzoic acid methyl ester|O-Hydroxybenzoic acid, methyl ester|Oil of wintergreen|P.C. Code 076601|PC Code 076601|PredaLure|salicilato de metilo|Salicylate de methyle|SALICYLATE, METHYL|Salicylic acid, methyl ester|SALICYLSAEURE-METHYLESTER|Spicewood Oil|Sweet birch oil|Synthetic wintergreen oil|Teaberry oil|Wintergreen oil, synthetic|Wintergruenoel|648434-07-5|8022-86-4|8024-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025659 https://doi.org/10.22427/NTP-DATA-DTXSID5025659
ERPathway2016 ERPathway2016_789 Methyl salicylate 119-36-8 DTXSID5025659 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=C(O)C=CC=C1 Methyl salicylate 119-36-8|Methyl salicylate|2-(Methoxycarbonyl)phenol|2-Carbomethoxyphenol|2-Hydroxybenzoic acid methyl ester|2-Hydroxybenzoic acid, methyl ester|204-317-7|4-10-00-00143|Analgit|Anthrapole ND|Benzoic acid, 2-hydroxy-, methyl ester|Betula Lenta|Betula oil|BRN 0971516|Caswell No. 577|EC No.: 204-317-7|EINECS 204-317-7|Exagien|FEMA No. 2745|Flucarmit|Gaultheria oil|Gaultheria oil, artificial|Gaultheriaoel|Methyl 2-hydroxybenzoate|Methyl ester 2-hydroxy-benzoic acid|Methyl o-hydroxybenzoate|Methyl salicylate and Oil of Wintergreen|Methyl salicylate, 8CI|Methylester kyseliny salicylove|Methylsalicylat|Metylester kyseliny salicylove|Natural wintergreen oil|NSC 8204|o-Hydroxybenzoic acid methyl ester|O-Hydroxybenzoic acid, methyl ester|Oil of wintergreen|P.C. Code 076601|PC Code 076601|PredaLure|salicilato de metilo|Salicylate de methyle|SALICYLATE, METHYL|Salicylic acid, methyl ester|SALICYLSAEURE-METHYLESTER|Spicewood Oil|Sweet birch oil|Synthetic wintergreen oil|Teaberry oil|Wintergreen oil, synthetic|Wintergruenoel|648434-07-5|8022-86-4|8024-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025659 https://doi.org/10.22427/NTP-DATA-DTXSID5025659
ERPathway2016 ERPathway2016_789 Methyl salicylate 119-36-8 DTXSID5025659 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=C(O)C=CC=C1 Methyl salicylate 119-36-8|Methyl salicylate|2-(Methoxycarbonyl)phenol|2-Carbomethoxyphenol|2-Hydroxybenzoic acid methyl ester|2-Hydroxybenzoic acid, methyl ester|204-317-7|4-10-00-00143|Analgit|Anthrapole ND|Benzoic acid, 2-hydroxy-, methyl ester|Betula Lenta|Betula oil|BRN 0971516|Caswell No. 577|EC No.: 204-317-7|EINECS 204-317-7|Exagien|FEMA No. 2745|Flucarmit|Gaultheria oil|Gaultheria oil, artificial|Gaultheriaoel|Methyl 2-hydroxybenzoate|Methyl ester 2-hydroxy-benzoic acid|Methyl o-hydroxybenzoate|Methyl salicylate and Oil of Wintergreen|Methyl salicylate, 8CI|Methylester kyseliny salicylove|Methylsalicylat|Metylester kyseliny salicylove|Natural wintergreen oil|NSC 8204|o-Hydroxybenzoic acid methyl ester|O-Hydroxybenzoic acid, methyl ester|Oil of wintergreen|P.C. Code 076601|PC Code 076601|PredaLure|salicilato de metilo|Salicylate de methyle|SALICYLATE, METHYL|Salicylic acid, methyl ester|SALICYLSAEURE-METHYLESTER|Spicewood Oil|Sweet birch oil|Synthetic wintergreen oil|Teaberry oil|Wintergreen oil, synthetic|Wintergruenoel|648434-07-5|8022-86-4|8024-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025659 https://doi.org/10.22427/NTP-DATA-DTXSID5025659
ERPathway2016 ERPathway2016_789 Methyl salicylate 119-36-8 DTXSID5025659 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=C(O)C=CC=C1 Methyl salicylate 119-36-8|Methyl salicylate|2-(Methoxycarbonyl)phenol|2-Carbomethoxyphenol|2-Hydroxybenzoic acid methyl ester|2-Hydroxybenzoic acid, methyl ester|204-317-7|4-10-00-00143|Analgit|Anthrapole ND|Benzoic acid, 2-hydroxy-, methyl ester|Betula Lenta|Betula oil|BRN 0971516|Caswell No. 577|EC No.: 204-317-7|EINECS 204-317-7|Exagien|FEMA No. 2745|Flucarmit|Gaultheria oil|Gaultheria oil, artificial|Gaultheriaoel|Methyl 2-hydroxybenzoate|Methyl ester 2-hydroxy-benzoic acid|Methyl o-hydroxybenzoate|Methyl salicylate and Oil of Wintergreen|Methyl salicylate, 8CI|Methylester kyseliny salicylove|Methylsalicylat|Metylester kyseliny salicylove|Natural wintergreen oil|NSC 8204|o-Hydroxybenzoic acid methyl ester|O-Hydroxybenzoic acid, methyl ester|Oil of wintergreen|P.C. Code 076601|PC Code 076601|PredaLure|salicilato de metilo|Salicylate de methyle|SALICYLATE, METHYL|Salicylic acid, methyl ester|SALICYLSAEURE-METHYLESTER|Spicewood Oil|Sweet birch oil|Synthetic wintergreen oil|Teaberry oil|Wintergreen oil, synthetic|Wintergruenoel|648434-07-5|8022-86-4|8024-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025659 https://doi.org/10.22427/NTP-DATA-DTXSID5025659
ERPathway2016 ERPathway2016_789 Methyl salicylate 119-36-8 DTXSID5025659 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=C(O)C=CC=C1 Methyl salicylate 119-36-8|Methyl salicylate|2-(Methoxycarbonyl)phenol|2-Carbomethoxyphenol|2-Hydroxybenzoic acid methyl ester|2-Hydroxybenzoic acid, methyl ester|204-317-7|4-10-00-00143|Analgit|Anthrapole ND|Benzoic acid, 2-hydroxy-, methyl ester|Betula Lenta|Betula oil|BRN 0971516|Caswell No. 577|EC No.: 204-317-7|EINECS 204-317-7|Exagien|FEMA No. 2745|Flucarmit|Gaultheria oil|Gaultheria oil, artificial|Gaultheriaoel|Methyl 2-hydroxybenzoate|Methyl ester 2-hydroxy-benzoic acid|Methyl o-hydroxybenzoate|Methyl salicylate and Oil of Wintergreen|Methyl salicylate, 8CI|Methylester kyseliny salicylove|Methylsalicylat|Metylester kyseliny salicylove|Natural wintergreen oil|NSC 8204|o-Hydroxybenzoic acid methyl ester|O-Hydroxybenzoic acid, methyl ester|Oil of wintergreen|P.C. Code 076601|PC Code 076601|PredaLure|salicilato de metilo|Salicylate de methyle|SALICYLATE, METHYL|Salicylic acid, methyl ester|SALICYLSAEURE-METHYLESTER|Spicewood Oil|Sweet birch oil|Synthetic wintergreen oil|Teaberry oil|Wintergreen oil, synthetic|Wintergruenoel|648434-07-5|8022-86-4|8024-54-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5025659 https://doi.org/10.22427/NTP-DATA-DTXSID5025659
ARPathway2016 ARPathway2016_701 Methyl styryl ketone 122-57-6 DTXSID4025662 1.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C=CC1=CC=CC=C1 Methyl styryl ketone 122-57-6|Methyl styryl ketone|1-Phenyl-1-buten-3-one|2-07-00-00287|2-Butenone, 4-phenyl-|2-Phenylethenyl methyl ketone|2-Phenylvinyl methyl ketone|204-555-1|3-Buten-2-one, 4-phenyl-|4-fenilbutenona|4-Phenyl-3-buten-2-one|4-Phenyl-3-butene-2-one|4-Phenyl-3-butene-2-one, Benzylideneacetone|4-Phenylbutenon|4-Phenylbutenone|Acetocinnamone|BENZ|Benzalaceton|Benzalacetone|Benzilidene acetone|Benzilideneacetone|BENZYLIDEN ACETONE|BENZYLIDENE ACETONE|Benzylideneacetone|BRN 0742046|BUT-3-EN-2-ONE, 4-PHENYL-|EC No.: 204-555-1|EINECS 204-555-1|FEMA No. 2881|Ketone, methyl styryl|Methyl 2-phenylvinyl ketone|Methyl beta-styryl ketone|Methyl phenylvinyl ketone|Methyl styryl acetone|Methyl b-styryl ketone|NSC 5605|Styryl methyl ketone|UNII-B03X40BMT5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025662 https://doi.org/10.22427/NTP-DATA-DTXSID4025662
ARPathway2016 ARPathway2016_701 Methyl styryl ketone 122-57-6 DTXSID4025662 1.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)C=CC1=CC=CC=C1 Methyl styryl ketone 122-57-6|Methyl styryl ketone|1-Phenyl-1-buten-3-one|2-07-00-00287|2-Butenone, 4-phenyl-|2-Phenylethenyl methyl ketone|2-Phenylvinyl methyl ketone|204-555-1|3-Buten-2-one, 4-phenyl-|4-fenilbutenona|4-Phenyl-3-buten-2-one|4-Phenyl-3-butene-2-one|4-Phenyl-3-butene-2-one, Benzylideneacetone|4-Phenylbutenon|4-Phenylbutenone|Acetocinnamone|BENZ|Benzalaceton|Benzalacetone|Benzilidene acetone|Benzilideneacetone|BENZYLIDEN ACETONE|BENZYLIDENE ACETONE|Benzylideneacetone|BRN 0742046|BUT-3-EN-2-ONE, 4-PHENYL-|EC No.: 204-555-1|EINECS 204-555-1|FEMA No. 2881|Ketone, methyl styryl|Methyl 2-phenylvinyl ketone|Methyl beta-styryl ketone|Methyl phenylvinyl ketone|Methyl styryl acetone|Methyl b-styryl ketone|NSC 5605|Styryl methyl ketone|UNII-B03X40BMT5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025662 https://doi.org/10.22427/NTP-DATA-DTXSID4025662
ARPathway2016 ARPathway2016_701 Methyl styryl ketone 122-57-6 DTXSID4025662 1.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)C=CC1=CC=CC=C1 Methyl styryl ketone 122-57-6|Methyl styryl ketone|1-Phenyl-1-buten-3-one|2-07-00-00287|2-Butenone, 4-phenyl-|2-Phenylethenyl methyl ketone|2-Phenylvinyl methyl ketone|204-555-1|3-Buten-2-one, 4-phenyl-|4-fenilbutenona|4-Phenyl-3-buten-2-one|4-Phenyl-3-butene-2-one|4-Phenyl-3-butene-2-one, Benzylideneacetone|4-Phenylbutenon|4-Phenylbutenone|Acetocinnamone|BENZ|Benzalaceton|Benzalacetone|Benzilidene acetone|Benzilideneacetone|BENZYLIDEN ACETONE|BENZYLIDENE ACETONE|Benzylideneacetone|BRN 0742046|BUT-3-EN-2-ONE, 4-PHENYL-|EC No.: 204-555-1|EINECS 204-555-1|FEMA No. 2881|Ketone, methyl styryl|Methyl 2-phenylvinyl ketone|Methyl beta-styryl ketone|Methyl phenylvinyl ketone|Methyl styryl acetone|Methyl b-styryl ketone|NSC 5605|Styryl methyl ketone|UNII-B03X40BMT5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025662 https://doi.org/10.22427/NTP-DATA-DTXSID4025662
ARPathway2016 ARPathway2016_701 Methyl styryl ketone 122-57-6 DTXSID4025662 1.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)C=CC1=CC=CC=C1 Methyl styryl ketone 122-57-6|Methyl styryl ketone|1-Phenyl-1-buten-3-one|2-07-00-00287|2-Butenone, 4-phenyl-|2-Phenylethenyl methyl ketone|2-Phenylvinyl methyl ketone|204-555-1|3-Buten-2-one, 4-phenyl-|4-fenilbutenona|4-Phenyl-3-buten-2-one|4-Phenyl-3-butene-2-one|4-Phenyl-3-butene-2-one, Benzylideneacetone|4-Phenylbutenon|4-Phenylbutenone|Acetocinnamone|BENZ|Benzalaceton|Benzalacetone|Benzilidene acetone|Benzilideneacetone|BENZYLIDEN ACETONE|BENZYLIDENE ACETONE|Benzylideneacetone|BRN 0742046|BUT-3-EN-2-ONE, 4-PHENYL-|EC No.: 204-555-1|EINECS 204-555-1|FEMA No. 2881|Ketone, methyl styryl|Methyl 2-phenylvinyl ketone|Methyl beta-styryl ketone|Methyl phenylvinyl ketone|Methyl styryl acetone|Methyl b-styryl ketone|NSC 5605|Styryl methyl ketone|UNII-B03X40BMT5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025662 https://doi.org/10.22427/NTP-DATA-DTXSID4025662
ERPathway2016 ERPathway2016_809 Methyl styryl ketone 122-57-6 DTXSID4025662 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)C=CC1=CC=CC=C1 Methyl styryl ketone 122-57-6|Methyl styryl ketone|1-Phenyl-1-buten-3-one|2-07-00-00287|2-Butenone, 4-phenyl-|2-Phenylethenyl methyl ketone|2-Phenylvinyl methyl ketone|204-555-1|3-Buten-2-one, 4-phenyl-|4-fenilbutenona|4-Phenyl-3-buten-2-one|4-Phenyl-3-butene-2-one|4-Phenyl-3-butene-2-one, Benzylideneacetone|4-Phenylbutenon|4-Phenylbutenone|Acetocinnamone|BENZ|Benzalaceton|Benzalacetone|Benzilidene acetone|Benzilideneacetone|BENZYLIDEN ACETONE|BENZYLIDENE ACETONE|Benzylideneacetone|BRN 0742046|BUT-3-EN-2-ONE, 4-PHENYL-|EC No.: 204-555-1|EINECS 204-555-1|FEMA No. 2881|Ketone, methyl styryl|Methyl 2-phenylvinyl ketone|Methyl beta-styryl ketone|Methyl phenylvinyl ketone|Methyl styryl acetone|Methyl b-styryl ketone|NSC 5605|Styryl methyl ketone|UNII-B03X40BMT5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025662 https://doi.org/10.22427/NTP-DATA-DTXSID4025662
ERPathway2016 ERPathway2016_809 Methyl styryl ketone 122-57-6 DTXSID4025662 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)C=CC1=CC=CC=C1 Methyl styryl ketone 122-57-6|Methyl styryl ketone|1-Phenyl-1-buten-3-one|2-07-00-00287|2-Butenone, 4-phenyl-|2-Phenylethenyl methyl ketone|2-Phenylvinyl methyl ketone|204-555-1|3-Buten-2-one, 4-phenyl-|4-fenilbutenona|4-Phenyl-3-buten-2-one|4-Phenyl-3-butene-2-one|4-Phenyl-3-butene-2-one, Benzylideneacetone|4-Phenylbutenon|4-Phenylbutenone|Acetocinnamone|BENZ|Benzalaceton|Benzalacetone|Benzilidene acetone|Benzilideneacetone|BENZYLIDEN ACETONE|BENZYLIDENE ACETONE|Benzylideneacetone|BRN 0742046|BUT-3-EN-2-ONE, 4-PHENYL-|EC No.: 204-555-1|EINECS 204-555-1|FEMA No. 2881|Ketone, methyl styryl|Methyl 2-phenylvinyl ketone|Methyl beta-styryl ketone|Methyl phenylvinyl ketone|Methyl styryl acetone|Methyl b-styryl ketone|NSC 5605|Styryl methyl ketone|UNII-B03X40BMT5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025662 https://doi.org/10.22427/NTP-DATA-DTXSID4025662
ERPathway2016 ERPathway2016_809 Methyl styryl ketone 122-57-6 DTXSID4025662 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)C=CC1=CC=CC=C1 Methyl styryl ketone 122-57-6|Methyl styryl ketone|1-Phenyl-1-buten-3-one|2-07-00-00287|2-Butenone, 4-phenyl-|2-Phenylethenyl methyl ketone|2-Phenylvinyl methyl ketone|204-555-1|3-Buten-2-one, 4-phenyl-|4-fenilbutenona|4-Phenyl-3-buten-2-one|4-Phenyl-3-butene-2-one|4-Phenyl-3-butene-2-one, Benzylideneacetone|4-Phenylbutenon|4-Phenylbutenone|Acetocinnamone|BENZ|Benzalaceton|Benzalacetone|Benzilidene acetone|Benzilideneacetone|BENZYLIDEN ACETONE|BENZYLIDENE ACETONE|Benzylideneacetone|BRN 0742046|BUT-3-EN-2-ONE, 4-PHENYL-|EC No.: 204-555-1|EINECS 204-555-1|FEMA No. 2881|Ketone, methyl styryl|Methyl 2-phenylvinyl ketone|Methyl beta-styryl ketone|Methyl phenylvinyl ketone|Methyl styryl acetone|Methyl b-styryl ketone|NSC 5605|Styryl methyl ketone|UNII-B03X40BMT5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025662 https://doi.org/10.22427/NTP-DATA-DTXSID4025662
ERPathway2016 ERPathway2016_809 Methyl styryl ketone 122-57-6 DTXSID4025662 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)C=CC1=CC=CC=C1 Methyl styryl ketone 122-57-6|Methyl styryl ketone|1-Phenyl-1-buten-3-one|2-07-00-00287|2-Butenone, 4-phenyl-|2-Phenylethenyl methyl ketone|2-Phenylvinyl methyl ketone|204-555-1|3-Buten-2-one, 4-phenyl-|4-fenilbutenona|4-Phenyl-3-buten-2-one|4-Phenyl-3-butene-2-one|4-Phenyl-3-butene-2-one, Benzylideneacetone|4-Phenylbutenon|4-Phenylbutenone|Acetocinnamone|BENZ|Benzalaceton|Benzalacetone|Benzilidene acetone|Benzilideneacetone|BENZYLIDEN ACETONE|BENZYLIDENE ACETONE|Benzylideneacetone|BRN 0742046|BUT-3-EN-2-ONE, 4-PHENYL-|EC No.: 204-555-1|EINECS 204-555-1|FEMA No. 2881|Ketone, methyl styryl|Methyl 2-phenylvinyl ketone|Methyl beta-styryl ketone|Methyl phenylvinyl ketone|Methyl styryl acetone|Methyl b-styryl ketone|NSC 5605|Styryl methyl ketone|UNII-B03X40BMT5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4025662 https://doi.org/10.22427/NTP-DATA-DTXSID4025662
ARPathway2016 ARPathway2016_129 Methylbenzethonium chloride 25155-18-4 DTXSID4035708 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 10.7314350394163 uM [Cl-].C*.CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1 |c:25,27,30,t:9,11,23,lp:0:4,15:2,18:2,m:2:13.12| Methylbenzethonium chloride 25155-18-4|Methylbenzethonium chloride|2-(2-(p-(Diisobutyl)cresoxy)ethoxy)ethyldimethylbenzylammonium chloride|Ammonium, benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]-, chloride|Benzenemethanaminium, N,N-dimethyl-N-(2-(3-(methyl -4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl) -, chloride (1:1)|Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride|Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)tolyl)oxy)ethoxy)ethyl)ammonium chloride|Benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]ammonium chloride|Caswell No. 355|Chlorure de methylbenzethonium|Cloruro de metilbenzetonio|Diaparene chloride|Diisobutylcresoxyethoxyethyl dimethyl benzyl ammonium chloride|EINECS 246-675-7|EPA Pesticide Chemical Code 069134|Hyamina 10|Hyamine 10X|Methylbenzethonii chloridum|Metilbenzetonio cloruro|Octyl cresoxyethoxyethyl dimethyl benzyl ammonium chloride|UNII-4XKK0M5H9M|1320-40-7|1519926-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4035708
ARPathway2016 ARPathway2016_129 Methylbenzethonium chloride 25155-18-4 DTXSID4035708 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 10.3539056335386 uM [Cl-].C*.CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1 |c:25,27,30,t:9,11,23,lp:0:4,15:2,18:2,m:2:13.12| Methylbenzethonium chloride 25155-18-4|Methylbenzethonium chloride|2-(2-(p-(Diisobutyl)cresoxy)ethoxy)ethyldimethylbenzylammonium chloride|Ammonium, benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]-, chloride|Benzenemethanaminium, N,N-dimethyl-N-(2-(3-(methyl -4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl) -, chloride (1:1)|Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride|Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)tolyl)oxy)ethoxy)ethyl)ammonium chloride|Benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]ammonium chloride|Caswell No. 355|Chlorure de methylbenzethonium|Cloruro de metilbenzetonio|Diaparene chloride|Diisobutylcresoxyethoxyethyl dimethyl benzyl ammonium chloride|EINECS 246-675-7|EPA Pesticide Chemical Code 069134|Hyamina 10|Hyamine 10X|Methylbenzethonii chloridum|Metilbenzetonio cloruro|Octyl cresoxyethoxyethyl dimethyl benzyl ammonium chloride|UNII-4XKK0M5H9M|1320-40-7|1519926-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4035708
ARPathway2016 ARPathway2016_129 Methylbenzethonium chloride 25155-18-4 DTXSID4035708 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.432 Unitless [Cl-].C*.CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1 |c:25,27,30,t:9,11,23,lp:0:4,15:2,18:2,m:2:13.12| Methylbenzethonium chloride 25155-18-4|Methylbenzethonium chloride|2-(2-(p-(Diisobutyl)cresoxy)ethoxy)ethyldimethylbenzylammonium chloride|Ammonium, benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]-, chloride|Benzenemethanaminium, N,N-dimethyl-N-(2-(3-(methyl -4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl) -, chloride (1:1)|Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride|Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)tolyl)oxy)ethoxy)ethyl)ammonium chloride|Benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]ammonium chloride|Caswell No. 355|Chlorure de methylbenzethonium|Cloruro de metilbenzetonio|Diaparene chloride|Diisobutylcresoxyethoxyethyl dimethyl benzyl ammonium chloride|EINECS 246-675-7|EPA Pesticide Chemical Code 069134|Hyamina 10|Hyamine 10X|Methylbenzethonii chloridum|Metilbenzetonio cloruro|Octyl cresoxyethoxyethyl dimethyl benzyl ammonium chloride|UNII-4XKK0M5H9M|1320-40-7|1519926-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4035708
ARPathway2016 ARPathway2016_129 Methylbenzethonium chloride 25155-18-4 DTXSID4035708 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0.00154 Unitless [Cl-].C*.CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1 |c:25,27,30,t:9,11,23,lp:0:4,15:2,18:2,m:2:13.12| Methylbenzethonium chloride 25155-18-4|Methylbenzethonium chloride|2-(2-(p-(Diisobutyl)cresoxy)ethoxy)ethyldimethylbenzylammonium chloride|Ammonium, benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]-, chloride|Benzenemethanaminium, N,N-dimethyl-N-(2-(3-(methyl -4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl) -, chloride (1:1)|Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride|Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)tolyl)oxy)ethoxy)ethyl)ammonium chloride|Benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]ammonium chloride|Caswell No. 355|Chlorure de methylbenzethonium|Cloruro de metilbenzetonio|Diaparene chloride|Diisobutylcresoxyethoxyethyl dimethyl benzyl ammonium chloride|EINECS 246-675-7|EPA Pesticide Chemical Code 069134|Hyamina 10|Hyamine 10X|Methylbenzethonii chloridum|Metilbenzetonio cloruro|Octyl cresoxyethoxyethyl dimethyl benzyl ammonium chloride|UNII-4XKK0M5H9M|1320-40-7|1519926-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4035708
ARPathway2016 ARPathway2016_129 Methylbenzethonium chloride 25155-18-4 DTXSID4035708 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Cl-].C*.CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1 |c:25,27,30,t:9,11,23,lp:0:4,15:2,18:2,m:2:13.12| Methylbenzethonium chloride 25155-18-4|Methylbenzethonium chloride|2-(2-(p-(Diisobutyl)cresoxy)ethoxy)ethyldimethylbenzylammonium chloride|Ammonium, benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]-, chloride|Benzenemethanaminium, N,N-dimethyl-N-(2-(3-(methyl -4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl) -, chloride (1:1)|Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride|Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)tolyl)oxy)ethoxy)ethyl)ammonium chloride|Benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]ammonium chloride|Caswell No. 355|Chlorure de methylbenzethonium|Cloruro de metilbenzetonio|Diaparene chloride|Diisobutylcresoxyethoxyethyl dimethyl benzyl ammonium chloride|EINECS 246-675-7|EPA Pesticide Chemical Code 069134|Hyamina 10|Hyamine 10X|Methylbenzethonii chloridum|Metilbenzetonio cloruro|Octyl cresoxyethoxyethyl dimethyl benzyl ammonium chloride|UNII-4XKK0M5H9M|1320-40-7|1519926-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4035708
ARPathway2016 ARPathway2016_129 Methylbenzethonium chloride 25155-18-4 DTXSID4035708 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].C*.CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1 |c:25,27,30,t:9,11,23,lp:0:4,15:2,18:2,m:2:13.12| Methylbenzethonium chloride 25155-18-4|Methylbenzethonium chloride|2-(2-(p-(Diisobutyl)cresoxy)ethoxy)ethyldimethylbenzylammonium chloride|Ammonium, benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]-, chloride|Benzenemethanaminium, N,N-dimethyl-N-(2-(3-(methyl -4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl) -, chloride (1:1)|Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride|Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)tolyl)oxy)ethoxy)ethyl)ammonium chloride|Benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]ammonium chloride|Caswell No. 355|Chlorure de methylbenzethonium|Cloruro de metilbenzetonio|Diaparene chloride|Diisobutylcresoxyethoxyethyl dimethyl benzyl ammonium chloride|EINECS 246-675-7|EPA Pesticide Chemical Code 069134|Hyamina 10|Hyamine 10X|Methylbenzethonii chloridum|Metilbenzetonio cloruro|Octyl cresoxyethoxyethyl dimethyl benzyl ammonium chloride|UNII-4XKK0M5H9M|1320-40-7|1519926-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4035708
ERPathway2016 ERPathway2016_25 Methylbenzethonium chloride 25155-18-4 DTXSID4035708 Antagonist ER Pathway Model, Agonist AC50 7.76094137809895 uM [Cl-].C*.CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1 |c:25,27,30,t:9,11,23,lp:0:4,15:2,18:2,m:2:13.12| Methylbenzethonium chloride 25155-18-4|Methylbenzethonium chloride|2-(2-(p-(Diisobutyl)cresoxy)ethoxy)ethyldimethylbenzylammonium chloride|Ammonium, benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]-, chloride|Benzenemethanaminium, N,N-dimethyl-N-(2-(3-(methyl -4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl) -, chloride (1:1)|Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride|Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)tolyl)oxy)ethoxy)ethyl)ammonium chloride|Benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]ammonium chloride|Caswell No. 355|Chlorure de methylbenzethonium|Cloruro de metilbenzetonio|Diaparene chloride|Diisobutylcresoxyethoxyethyl dimethyl benzyl ammonium chloride|EINECS 246-675-7|EPA Pesticide Chemical Code 069134|Hyamina 10|Hyamine 10X|Methylbenzethonii chloridum|Metilbenzetonio cloruro|Octyl cresoxyethoxyethyl dimethyl benzyl ammonium chloride|UNII-4XKK0M5H9M|1320-40-7|1519926-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4035708
ERPathway2016 ERPathway2016_25 Methylbenzethonium chloride 25155-18-4 DTXSID4035708 Antagonist ER Pathway Model, Agonist ACC 4.60751350511395 uM [Cl-].C*.CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1 |c:25,27,30,t:9,11,23,lp:0:4,15:2,18:2,m:2:13.12| Methylbenzethonium chloride 25155-18-4|Methylbenzethonium chloride|2-(2-(p-(Diisobutyl)cresoxy)ethoxy)ethyldimethylbenzylammonium chloride|Ammonium, benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]-, chloride|Benzenemethanaminium, N,N-dimethyl-N-(2-(3-(methyl -4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl) -, chloride (1:1)|Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride|Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)tolyl)oxy)ethoxy)ethyl)ammonium chloride|Benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]ammonium chloride|Caswell No. 355|Chlorure de methylbenzethonium|Cloruro de metilbenzetonio|Diaparene chloride|Diisobutylcresoxyethoxyethyl dimethyl benzyl ammonium chloride|EINECS 246-675-7|EPA Pesticide Chemical Code 069134|Hyamina 10|Hyamine 10X|Methylbenzethonii chloridum|Metilbenzetonio cloruro|Octyl cresoxyethoxyethyl dimethyl benzyl ammonium chloride|UNII-4XKK0M5H9M|1320-40-7|1519926-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4035708
ERPathway2016 ERPathway2016_25 Methylbenzethonium chloride 25155-18-4 DTXSID4035708 Antagonist ER Pathway Model, Agonist Model Score 0.00822 Unitless [Cl-].C*.CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1 |c:25,27,30,t:9,11,23,lp:0:4,15:2,18:2,m:2:13.12| Methylbenzethonium chloride 25155-18-4|Methylbenzethonium chloride|2-(2-(p-(Diisobutyl)cresoxy)ethoxy)ethyldimethylbenzylammonium chloride|Ammonium, benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]-, chloride|Benzenemethanaminium, N,N-dimethyl-N-(2-(3-(methyl -4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl) -, chloride (1:1)|Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride|Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)tolyl)oxy)ethoxy)ethyl)ammonium chloride|Benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]ammonium chloride|Caswell No. 355|Chlorure de methylbenzethonium|Cloruro de metilbenzetonio|Diaparene chloride|Diisobutylcresoxyethoxyethyl dimethyl benzyl ammonium chloride|EINECS 246-675-7|EPA Pesticide Chemical Code 069134|Hyamina 10|Hyamine 10X|Methylbenzethonii chloridum|Metilbenzetonio cloruro|Octyl cresoxyethoxyethyl dimethyl benzyl ammonium chloride|UNII-4XKK0M5H9M|1320-40-7|1519926-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4035708
ERPathway2016 ERPathway2016_25 Methylbenzethonium chloride 25155-18-4 DTXSID4035708 Antagonist ER Pathway Model, Antagonist Model Score 0.152 Unitless [Cl-].C*.CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1 |c:25,27,30,t:9,11,23,lp:0:4,15:2,18:2,m:2:13.12| Methylbenzethonium chloride 25155-18-4|Methylbenzethonium chloride|2-(2-(p-(Diisobutyl)cresoxy)ethoxy)ethyldimethylbenzylammonium chloride|Ammonium, benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]-, chloride|Benzenemethanaminium, N,N-dimethyl-N-(2-(3-(methyl -4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl) -, chloride (1:1)|Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride|Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)tolyl)oxy)ethoxy)ethyl)ammonium chloride|Benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]ammonium chloride|Caswell No. 355|Chlorure de methylbenzethonium|Cloruro de metilbenzetonio|Diaparene chloride|Diisobutylcresoxyethoxyethyl dimethyl benzyl ammonium chloride|EINECS 246-675-7|EPA Pesticide Chemical Code 069134|Hyamina 10|Hyamine 10X|Methylbenzethonii chloridum|Metilbenzetonio cloruro|Octyl cresoxyethoxyethyl dimethyl benzyl ammonium chloride|UNII-4XKK0M5H9M|1320-40-7|1519926-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4035708
ERPathway2016 ERPathway2016_25 Methylbenzethonium chloride 25155-18-4 DTXSID4035708 Antagonist ER Pathway Model, Agonist Call Active Unitless [Cl-].C*.CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1 |c:25,27,30,t:9,11,23,lp:0:4,15:2,18:2,m:2:13.12| Methylbenzethonium chloride 25155-18-4|Methylbenzethonium chloride|2-(2-(p-(Diisobutyl)cresoxy)ethoxy)ethyldimethylbenzylammonium chloride|Ammonium, benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]-, chloride|Benzenemethanaminium, N,N-dimethyl-N-(2-(3-(methyl -4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl) -, chloride (1:1)|Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride|Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)tolyl)oxy)ethoxy)ethyl)ammonium chloride|Benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]ammonium chloride|Caswell No. 355|Chlorure de methylbenzethonium|Cloruro de metilbenzetonio|Diaparene chloride|Diisobutylcresoxyethoxyethyl dimethyl benzyl ammonium chloride|EINECS 246-675-7|EPA Pesticide Chemical Code 069134|Hyamina 10|Hyamine 10X|Methylbenzethonii chloridum|Metilbenzetonio cloruro|Octyl cresoxyethoxyethyl dimethyl benzyl ammonium chloride|UNII-4XKK0M5H9M|1320-40-7|1519926-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4035708
ERPathway2016 ERPathway2016_25 Methylbenzethonium chloride 25155-18-4 DTXSID4035708 Antagonist ER Pathway Model, Antagonist Call Inactive Unitless [Cl-].C*.CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1 |c:25,27,30,t:9,11,23,lp:0:4,15:2,18:2,m:2:13.12| Methylbenzethonium chloride 25155-18-4|Methylbenzethonium chloride|2-(2-(p-(Diisobutyl)cresoxy)ethoxy)ethyldimethylbenzylammonium chloride|Ammonium, benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]-, chloride|Benzenemethanaminium, N,N-dimethyl-N-(2-(3-(methyl -4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl) -, chloride (1:1)|Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride|Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)tolyl)oxy)ethoxy)ethyl)ammonium chloride|Benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]ammonium chloride|Caswell No. 355|Chlorure de methylbenzethonium|Cloruro de metilbenzetonio|Diaparene chloride|Diisobutylcresoxyethoxyethyl dimethyl benzyl ammonium chloride|EINECS 246-675-7|EPA Pesticide Chemical Code 069134|Hyamina 10|Hyamine 10X|Methylbenzethonii chloridum|Metilbenzetonio cloruro|Octyl cresoxyethoxyethyl dimethyl benzyl ammonium chloride|UNII-4XKK0M5H9M|1320-40-7|1519926-44-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4035708
ARPathway2016 ARPathway2016_1196 Methyldopa sesquihydrate 41372-08-1 DTXSID5020863 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O.O.O.C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O.C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O Methyldopa sesquihydrate 41372-08-1|Methyldopa sesquihydrate|(-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate|609-918-1|Aldoclor|Aldomet|Aldoril|alpha-Methyldopa sesquihydrate|CCRIS 1662|EC No.: 609-918-1|Hyperpax|L-3-(3,4-Dihydroxyphenyl)-2-methylalanine sesquihydrate|L-Tyrosine, 3-hydroxy-alpha-methyl-, sesquihydrate|L- Tyrosine, 3- hydroxy- a- methyl- , hydrate (2:3)|L-Tyrosine, 3-hydroxy-a-methyl-, sesquihydrate|Methyl dopa sesquihydrate|Methyl-DOPA sesquihydrate|Methyldopa 1.5-wasser|MK 351|UNII-56LH93261Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020863 https://doi.org/10.22427/NTP-DATA-DTXSID5020863
ARPathway2016 ARPathway2016_1196 Methyldopa sesquihydrate 41372-08-1 DTXSID5020863 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O.O.O.C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O.C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O Methyldopa sesquihydrate 41372-08-1|Methyldopa sesquihydrate|(-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate|609-918-1|Aldoclor|Aldomet|Aldoril|alpha-Methyldopa sesquihydrate|CCRIS 1662|EC No.: 609-918-1|Hyperpax|L-3-(3,4-Dihydroxyphenyl)-2-methylalanine sesquihydrate|L-Tyrosine, 3-hydroxy-alpha-methyl-, sesquihydrate|L- Tyrosine, 3- hydroxy- a- methyl- , hydrate (2:3)|L-Tyrosine, 3-hydroxy-a-methyl-, sesquihydrate|Methyl dopa sesquihydrate|Methyl-DOPA sesquihydrate|Methyldopa 1.5-wasser|MK 351|UNII-56LH93261Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020863 https://doi.org/10.22427/NTP-DATA-DTXSID5020863
ARPathway2016 ARPathway2016_1196 Methyldopa sesquihydrate 41372-08-1 DTXSID5020863 0.0 AR Pathway Model, Agonist Call Inactive Unitless O.O.O.C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O.C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O Methyldopa sesquihydrate 41372-08-1|Methyldopa sesquihydrate|(-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate|609-918-1|Aldoclor|Aldomet|Aldoril|alpha-Methyldopa sesquihydrate|CCRIS 1662|EC No.: 609-918-1|Hyperpax|L-3-(3,4-Dihydroxyphenyl)-2-methylalanine sesquihydrate|L-Tyrosine, 3-hydroxy-alpha-methyl-, sesquihydrate|L- Tyrosine, 3- hydroxy- a- methyl- , hydrate (2:3)|L-Tyrosine, 3-hydroxy-a-methyl-, sesquihydrate|Methyl dopa sesquihydrate|Methyl-DOPA sesquihydrate|Methyldopa 1.5-wasser|MK 351|UNII-56LH93261Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020863 https://doi.org/10.22427/NTP-DATA-DTXSID5020863
ARPathway2016 ARPathway2016_1196 Methyldopa sesquihydrate 41372-08-1 DTXSID5020863 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O.O.O.C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O.C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O Methyldopa sesquihydrate 41372-08-1|Methyldopa sesquihydrate|(-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate|609-918-1|Aldoclor|Aldomet|Aldoril|alpha-Methyldopa sesquihydrate|CCRIS 1662|EC No.: 609-918-1|Hyperpax|L-3-(3,4-Dihydroxyphenyl)-2-methylalanine sesquihydrate|L-Tyrosine, 3-hydroxy-alpha-methyl-, sesquihydrate|L- Tyrosine, 3- hydroxy- a- methyl- , hydrate (2:3)|L-Tyrosine, 3-hydroxy-a-methyl-, sesquihydrate|Methyl dopa sesquihydrate|Methyl-DOPA sesquihydrate|Methyldopa 1.5-wasser|MK 351|UNII-56LH93261Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020863 https://doi.org/10.22427/NTP-DATA-DTXSID5020863
ERPathway2016 ERPathway2016_1480 Methyldopa sesquihydrate 41372-08-1 DTXSID5020863 ER Pathway Model, Agonist Model Score 0 Unitless O.O.O.C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O.C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O Methyldopa sesquihydrate 41372-08-1|Methyldopa sesquihydrate|(-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate|609-918-1|Aldoclor|Aldomet|Aldoril|alpha-Methyldopa sesquihydrate|CCRIS 1662|EC No.: 609-918-1|Hyperpax|L-3-(3,4-Dihydroxyphenyl)-2-methylalanine sesquihydrate|L-Tyrosine, 3-hydroxy-alpha-methyl-, sesquihydrate|L- Tyrosine, 3- hydroxy- a- methyl- , hydrate (2:3)|L-Tyrosine, 3-hydroxy-a-methyl-, sesquihydrate|Methyl dopa sesquihydrate|Methyl-DOPA sesquihydrate|Methyldopa 1.5-wasser|MK 351|UNII-56LH93261Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020863 https://doi.org/10.22427/NTP-DATA-DTXSID5020863
ERPathway2016 ERPathway2016_1480 Methyldopa sesquihydrate 41372-08-1 DTXSID5020863 ER Pathway Model, Antagonist Model Score 0 Unitless O.O.O.C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O.C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O Methyldopa sesquihydrate 41372-08-1|Methyldopa sesquihydrate|(-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate|609-918-1|Aldoclor|Aldomet|Aldoril|alpha-Methyldopa sesquihydrate|CCRIS 1662|EC No.: 609-918-1|Hyperpax|L-3-(3,4-Dihydroxyphenyl)-2-methylalanine sesquihydrate|L-Tyrosine, 3-hydroxy-alpha-methyl-, sesquihydrate|L- Tyrosine, 3- hydroxy- a- methyl- , hydrate (2:3)|L-Tyrosine, 3-hydroxy-a-methyl-, sesquihydrate|Methyl dopa sesquihydrate|Methyl-DOPA sesquihydrate|Methyldopa 1.5-wasser|MK 351|UNII-56LH93261Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020863 https://doi.org/10.22427/NTP-DATA-DTXSID5020863
ERPathway2016 ERPathway2016_1480 Methyldopa sesquihydrate 41372-08-1 DTXSID5020863 ER Pathway Model, Agonist Call Inactive Unitless O.O.O.C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O.C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O Methyldopa sesquihydrate 41372-08-1|Methyldopa sesquihydrate|(-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate|609-918-1|Aldoclor|Aldomet|Aldoril|alpha-Methyldopa sesquihydrate|CCRIS 1662|EC No.: 609-918-1|Hyperpax|L-3-(3,4-Dihydroxyphenyl)-2-methylalanine sesquihydrate|L-Tyrosine, 3-hydroxy-alpha-methyl-, sesquihydrate|L- Tyrosine, 3- hydroxy- a- methyl- , hydrate (2:3)|L-Tyrosine, 3-hydroxy-a-methyl-, sesquihydrate|Methyl dopa sesquihydrate|Methyl-DOPA sesquihydrate|Methyldopa 1.5-wasser|MK 351|UNII-56LH93261Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020863 https://doi.org/10.22427/NTP-DATA-DTXSID5020863
ERPathway2016 ERPathway2016_1480 Methyldopa sesquihydrate 41372-08-1 DTXSID5020863 ER Pathway Model, Antagonist Call Inactive Unitless O.O.O.C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O.C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O Methyldopa sesquihydrate 41372-08-1|Methyldopa sesquihydrate|(-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate|609-918-1|Aldoclor|Aldomet|Aldoril|alpha-Methyldopa sesquihydrate|CCRIS 1662|EC No.: 609-918-1|Hyperpax|L-3-(3,4-Dihydroxyphenyl)-2-methylalanine sesquihydrate|L-Tyrosine, 3-hydroxy-alpha-methyl-, sesquihydrate|L- Tyrosine, 3- hydroxy- a- methyl- , hydrate (2:3)|L-Tyrosine, 3-hydroxy-a-methyl-, sesquihydrate|Methyl dopa sesquihydrate|Methyl-DOPA sesquihydrate|Methyldopa 1.5-wasser|MK 351|UNII-56LH93261Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020863 https://doi.org/10.22427/NTP-DATA-DTXSID5020863
ARPathway2016 ARPathway2016_238 Methylene bis(thiocyanate) 6317-18-6 DTXSID8025599 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 27.47567951 uM N#CSCSC#N Methylene bis(thiocyanate) 6317-18-6|Methylene bis(thiocyanate)|3-03-00-00288|BRN 1743370|Caswell No. 565|EINECS 228-652-3|EPA Pesticide Chemical Code 068102|Methane, dithiocyanato-|Methylendirhodanid|Methylendithiokyanat|Methylenebis(thiocyanate)|Methylenedirhodanid|Methylenedirhodanide|Nalco D-1994|Nalfloc N 206|NSC 40464|Proxel MB|Thiocyanic acid, C,C'-methylene ester|UNII-K1QS9QOS1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025599 https://doi.org/10.22427/NTP-DATA-DTXSID8025599
ARPathway2016 ARPathway2016_238 Methylene bis(thiocyanate) 6317-18-6 DTXSID8025599 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 29.9984521787535 uM N#CSCSC#N Methylene bis(thiocyanate) 6317-18-6|Methylene bis(thiocyanate)|3-03-00-00288|BRN 1743370|Caswell No. 565|EINECS 228-652-3|EPA Pesticide Chemical Code 068102|Methane, dithiocyanato-|Methylendirhodanid|Methylendithiokyanat|Methylenebis(thiocyanate)|Methylenedirhodanid|Methylenedirhodanide|Nalco D-1994|Nalfloc N 206|NSC 40464|Proxel MB|Thiocyanic acid, C,C'-methylene ester|UNII-K1QS9QOS1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025599 https://doi.org/10.22427/NTP-DATA-DTXSID8025599
ARPathway2016 ARPathway2016_238 Methylene bis(thiocyanate) 6317-18-6 DTXSID8025599 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.101 Unitless N#CSCSC#N Methylene bis(thiocyanate) 6317-18-6|Methylene bis(thiocyanate)|3-03-00-00288|BRN 1743370|Caswell No. 565|EINECS 228-652-3|EPA Pesticide Chemical Code 068102|Methane, dithiocyanato-|Methylendirhodanid|Methylendithiokyanat|Methylenebis(thiocyanate)|Methylenedirhodanid|Methylenedirhodanide|Nalco D-1994|Nalfloc N 206|NSC 40464|Proxel MB|Thiocyanic acid, C,C'-methylene ester|UNII-K1QS9QOS1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025599 https://doi.org/10.22427/NTP-DATA-DTXSID8025599
ARPathway2016 ARPathway2016_238 Methylene bis(thiocyanate) 6317-18-6 DTXSID8025599 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless N#CSCSC#N Methylene bis(thiocyanate) 6317-18-6|Methylene bis(thiocyanate)|3-03-00-00288|BRN 1743370|Caswell No. 565|EINECS 228-652-3|EPA Pesticide Chemical Code 068102|Methane, dithiocyanato-|Methylendirhodanid|Methylendithiokyanat|Methylenebis(thiocyanate)|Methylenedirhodanid|Methylenedirhodanide|Nalco D-1994|Nalfloc N 206|NSC 40464|Proxel MB|Thiocyanic acid, C,C'-methylene ester|UNII-K1QS9QOS1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025599 https://doi.org/10.22427/NTP-DATA-DTXSID8025599
ARPathway2016 ARPathway2016_238 Methylene bis(thiocyanate) 6317-18-6 DTXSID8025599 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless N#CSCSC#N Methylene bis(thiocyanate) 6317-18-6|Methylene bis(thiocyanate)|3-03-00-00288|BRN 1743370|Caswell No. 565|EINECS 228-652-3|EPA Pesticide Chemical Code 068102|Methane, dithiocyanato-|Methylendirhodanid|Methylendithiokyanat|Methylenebis(thiocyanate)|Methylenedirhodanid|Methylenedirhodanide|Nalco D-1994|Nalfloc N 206|NSC 40464|Proxel MB|Thiocyanic acid, C,C'-methylene ester|UNII-K1QS9QOS1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025599 https://doi.org/10.22427/NTP-DATA-DTXSID8025599
ARPathway2016 ARPathway2016_238 Methylene bis(thiocyanate) 6317-18-6 DTXSID8025599 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless N#CSCSC#N Methylene bis(thiocyanate) 6317-18-6|Methylene bis(thiocyanate)|3-03-00-00288|BRN 1743370|Caswell No. 565|EINECS 228-652-3|EPA Pesticide Chemical Code 068102|Methane, dithiocyanato-|Methylendirhodanid|Methylendithiokyanat|Methylenebis(thiocyanate)|Methylenedirhodanid|Methylenedirhodanide|Nalco D-1994|Nalfloc N 206|NSC 40464|Proxel MB|Thiocyanic acid, C,C'-methylene ester|UNII-K1QS9QOS1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025599 https://doi.org/10.22427/NTP-DATA-DTXSID8025599
ERPathway2016 ERPathway2016_653 Methylene bis(thiocyanate) 6317-18-6 DTXSID8025599 ER Pathway Model, Agonist Model Score 0 Unitless N#CSCSC#N Methylene bis(thiocyanate) 6317-18-6|Methylene bis(thiocyanate)|3-03-00-00288|BRN 1743370|Caswell No. 565|EINECS 228-652-3|EPA Pesticide Chemical Code 068102|Methane, dithiocyanato-|Methylendirhodanid|Methylendithiokyanat|Methylenebis(thiocyanate)|Methylenedirhodanid|Methylenedirhodanide|Nalco D-1994|Nalfloc N 206|NSC 40464|Proxel MB|Thiocyanic acid, C,C'-methylene ester|UNII-K1QS9QOS1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025599 https://doi.org/10.22427/NTP-DATA-DTXSID8025599
ERPathway2016 ERPathway2016_653 Methylene bis(thiocyanate) 6317-18-6 DTXSID8025599 ER Pathway Model, Antagonist Model Score 0 Unitless N#CSCSC#N Methylene bis(thiocyanate) 6317-18-6|Methylene bis(thiocyanate)|3-03-00-00288|BRN 1743370|Caswell No. 565|EINECS 228-652-3|EPA Pesticide Chemical Code 068102|Methane, dithiocyanato-|Methylendirhodanid|Methylendithiokyanat|Methylenebis(thiocyanate)|Methylenedirhodanid|Methylenedirhodanide|Nalco D-1994|Nalfloc N 206|NSC 40464|Proxel MB|Thiocyanic acid, C,C'-methylene ester|UNII-K1QS9QOS1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025599 https://doi.org/10.22427/NTP-DATA-DTXSID8025599
ERPathway2016 ERPathway2016_653 Methylene bis(thiocyanate) 6317-18-6 DTXSID8025599 ER Pathway Model, Agonist Call Inactive Unitless N#CSCSC#N Methylene bis(thiocyanate) 6317-18-6|Methylene bis(thiocyanate)|3-03-00-00288|BRN 1743370|Caswell No. 565|EINECS 228-652-3|EPA Pesticide Chemical Code 068102|Methane, dithiocyanato-|Methylendirhodanid|Methylendithiokyanat|Methylenebis(thiocyanate)|Methylenedirhodanid|Methylenedirhodanide|Nalco D-1994|Nalfloc N 206|NSC 40464|Proxel MB|Thiocyanic acid, C,C'-methylene ester|UNII-K1QS9QOS1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025599 https://doi.org/10.22427/NTP-DATA-DTXSID8025599
ERPathway2016 ERPathway2016_653 Methylene bis(thiocyanate) 6317-18-6 DTXSID8025599 ER Pathway Model, Antagonist Call Inactive Unitless N#CSCSC#N Methylene bis(thiocyanate) 6317-18-6|Methylene bis(thiocyanate)|3-03-00-00288|BRN 1743370|Caswell No. 565|EINECS 228-652-3|EPA Pesticide Chemical Code 068102|Methane, dithiocyanato-|Methylendirhodanid|Methylendithiokyanat|Methylenebis(thiocyanate)|Methylenedirhodanid|Methylenedirhodanide|Nalco D-1994|Nalfloc N 206|NSC 40464|Proxel MB|Thiocyanic acid, C,C'-methylene ester|UNII-K1QS9QOS1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025599 https://doi.org/10.22427/NTP-DATA-DTXSID8025599
ARPathway2016 ARPathway2016_792 Methylionone 1335-46-2 DTXSID0029214 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Methylionone 1335-46-2|Methylionone|6-Methylionone|EC No.: 215-635-0|EINECS 215-635-0|FEMA No. 2711|Ionone, methyl-|METHYL IONONE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029214
ARPathway2016 ARPathway2016_792 Methylionone 1335-46-2 DTXSID0029214 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Methylionone 1335-46-2|Methylionone|6-Methylionone|EC No.: 215-635-0|EINECS 215-635-0|FEMA No. 2711|Ionone, methyl-|METHYL IONONE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029214
ARPathway2016 ARPathway2016_792 Methylionone 1335-46-2 DTXSID0029214 0.0 AR Pathway Model, Agonist Call Inactive Unitless Methylionone 1335-46-2|Methylionone|6-Methylionone|EC No.: 215-635-0|EINECS 215-635-0|FEMA No. 2711|Ionone, methyl-|METHYL IONONE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029214
ARPathway2016 ARPathway2016_792 Methylionone 1335-46-2 DTXSID0029214 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Methylionone 1335-46-2|Methylionone|6-Methylionone|EC No.: 215-635-0|EINECS 215-635-0|FEMA No. 2711|Ionone, methyl-|METHYL IONONE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029214
ERPathway2016 ERPathway2016_796 Methylionone 1335-46-2 DTXSID0029214 ER Pathway Model, Agonist Model Score 0 Unitless Methylionone 1335-46-2|Methylionone|6-Methylionone|EC No.: 215-635-0|EINECS 215-635-0|FEMA No. 2711|Ionone, methyl-|METHYL IONONE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029214
ERPathway2016 ERPathway2016_796 Methylionone 1335-46-2 DTXSID0029214 ER Pathway Model, Antagonist Model Score 0 Unitless Methylionone 1335-46-2|Methylionone|6-Methylionone|EC No.: 215-635-0|EINECS 215-635-0|FEMA No. 2711|Ionone, methyl-|METHYL IONONE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029214
ERPathway2016 ERPathway2016_796 Methylionone 1335-46-2 DTXSID0029214 ER Pathway Model, Agonist Call Inactive Unitless Methylionone 1335-46-2|Methylionone|6-Methylionone|EC No.: 215-635-0|EINECS 215-635-0|FEMA No. 2711|Ionone, methyl-|METHYL IONONE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029214
ERPathway2016 ERPathway2016_796 Methylionone 1335-46-2 DTXSID0029214 ER Pathway Model, Antagonist Call Inactive Unitless Methylionone 1335-46-2|Methylionone|6-Methylionone|EC No.: 215-635-0|EINECS 215-635-0|FEMA No. 2711|Ionone, methyl-|METHYL IONONE https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029214
ARPathway2016 ARPathway2016_1823 Methylparaben 99-76-3 DTXSID4022529 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=CC=C(O)C=C1 Methylparaben 99-76-3|Methylparaben|4-(Carbomethoxy)phenol|4-(Methoxycarbonyl)phenol|4-hidroxibenzoato de metilo|4-Hydroxybenzoate de methyle|4-HYDROXYBENZOESAEURE-METHYLESTER|4-Hydroxybenzoic acid methyl ester|Aseptoform|BENZOATE, 4-HYDROXY-, METHYL|Benzoic acid, 4-hydroxy-, methyl ester|Benzoic acid, p-hydroxy-, methyl ester|BRN 0509801|Caswell No. 573PP|Danisol M|E 218|E218|EINECS 202-785-7|EPA Pesticide Chemical Code 061201|FEMA No. 2710|FEMA Number 2710|INS No. 218|INS number 218|Killitol|Maseptol|Mekkings M|Metaben|Metagin|Methaben|methyl 4-hydroxybenzoate|Methyl Butex|Methyl chemosept|METHYL ESTER OF P-HYDROXY BENZOIC ACID|Methyl ester of p-hydroxybenzoic acid|METHYL P-HYDROXYBENZOATE|Methyl p-oxybenzoate|METHYL PARABEN|Methyl paraben (Benzoic acid, 4-hydroxy-, methyl ester)|Methyl parahydroxybenzoate|Methyl Parasept|Methyl-4-hydroxybenzoat|Methyl-p-hydroxybenzoate|Methylben|Methylester kyseliny p-hydroxybenzoove|Metoxyde|Nipagin|Nipagin M|NSC 3827|NSC 406127|p-Carbomethoxyphenol|P-HYDROXYBENZOIC ACID METHYL ESTER|P-Hydroxybenzoic acid, |1000398-37-7|156291-94-0|58339-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022529
ARPathway2016 ARPathway2016_1823 Methylparaben 99-76-3 DTXSID4022529 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=CC=C(O)C=C1 Methylparaben 99-76-3|Methylparaben|4-(Carbomethoxy)phenol|4-(Methoxycarbonyl)phenol|4-hidroxibenzoato de metilo|4-Hydroxybenzoate de methyle|4-HYDROXYBENZOESAEURE-METHYLESTER|4-Hydroxybenzoic acid methyl ester|Aseptoform|BENZOATE, 4-HYDROXY-, METHYL|Benzoic acid, 4-hydroxy-, methyl ester|Benzoic acid, p-hydroxy-, methyl ester|BRN 0509801|Caswell No. 573PP|Danisol M|E 218|E218|EINECS 202-785-7|EPA Pesticide Chemical Code 061201|FEMA No. 2710|FEMA Number 2710|INS No. 218|INS number 218|Killitol|Maseptol|Mekkings M|Metaben|Metagin|Methaben|methyl 4-hydroxybenzoate|Methyl Butex|Methyl chemosept|METHYL ESTER OF P-HYDROXY BENZOIC ACID|Methyl ester of p-hydroxybenzoic acid|METHYL P-HYDROXYBENZOATE|Methyl p-oxybenzoate|METHYL PARABEN|Methyl paraben (Benzoic acid, 4-hydroxy-, methyl ester)|Methyl parahydroxybenzoate|Methyl Parasept|Methyl-4-hydroxybenzoat|Methyl-p-hydroxybenzoate|Methylben|Methylester kyseliny p-hydroxybenzoove|Metoxyde|Nipagin|Nipagin M|NSC 3827|NSC 406127|p-Carbomethoxyphenol|P-HYDROXYBENZOIC ACID METHYL ESTER|P-Hydroxybenzoic acid, |1000398-37-7|156291-94-0|58339-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022529
ARPathway2016 ARPathway2016_1823 Methylparaben 99-76-3 DTXSID4022529 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=CC=C(O)C=C1 Methylparaben 99-76-3|Methylparaben|4-(Carbomethoxy)phenol|4-(Methoxycarbonyl)phenol|4-hidroxibenzoato de metilo|4-Hydroxybenzoate de methyle|4-HYDROXYBENZOESAEURE-METHYLESTER|4-Hydroxybenzoic acid methyl ester|Aseptoform|BENZOATE, 4-HYDROXY-, METHYL|Benzoic acid, 4-hydroxy-, methyl ester|Benzoic acid, p-hydroxy-, methyl ester|BRN 0509801|Caswell No. 573PP|Danisol M|E 218|E218|EINECS 202-785-7|EPA Pesticide Chemical Code 061201|FEMA No. 2710|FEMA Number 2710|INS No. 218|INS number 218|Killitol|Maseptol|Mekkings M|Metaben|Metagin|Methaben|methyl 4-hydroxybenzoate|Methyl Butex|Methyl chemosept|METHYL ESTER OF P-HYDROXY BENZOIC ACID|Methyl ester of p-hydroxybenzoic acid|METHYL P-HYDROXYBENZOATE|Methyl p-oxybenzoate|METHYL PARABEN|Methyl paraben (Benzoic acid, 4-hydroxy-, methyl ester)|Methyl parahydroxybenzoate|Methyl Parasept|Methyl-4-hydroxybenzoat|Methyl-p-hydroxybenzoate|Methylben|Methylester kyseliny p-hydroxybenzoove|Metoxyde|Nipagin|Nipagin M|NSC 3827|NSC 406127|p-Carbomethoxyphenol|P-HYDROXYBENZOIC ACID METHYL ESTER|P-Hydroxybenzoic acid, |1000398-37-7|156291-94-0|58339-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022529
ARPathway2016 ARPathway2016_1823 Methylparaben 99-76-3 DTXSID4022529 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=CC=C(O)C=C1 Methylparaben 99-76-3|Methylparaben|4-(Carbomethoxy)phenol|4-(Methoxycarbonyl)phenol|4-hidroxibenzoato de metilo|4-Hydroxybenzoate de methyle|4-HYDROXYBENZOESAEURE-METHYLESTER|4-Hydroxybenzoic acid methyl ester|Aseptoform|BENZOATE, 4-HYDROXY-, METHYL|Benzoic acid, 4-hydroxy-, methyl ester|Benzoic acid, p-hydroxy-, methyl ester|BRN 0509801|Caswell No. 573PP|Danisol M|E 218|E218|EINECS 202-785-7|EPA Pesticide Chemical Code 061201|FEMA No. 2710|FEMA Number 2710|INS No. 218|INS number 218|Killitol|Maseptol|Mekkings M|Metaben|Metagin|Methaben|methyl 4-hydroxybenzoate|Methyl Butex|Methyl chemosept|METHYL ESTER OF P-HYDROXY BENZOIC ACID|Methyl ester of p-hydroxybenzoic acid|METHYL P-HYDROXYBENZOATE|Methyl p-oxybenzoate|METHYL PARABEN|Methyl paraben (Benzoic acid, 4-hydroxy-, methyl ester)|Methyl parahydroxybenzoate|Methyl Parasept|Methyl-4-hydroxybenzoat|Methyl-p-hydroxybenzoate|Methylben|Methylester kyseliny p-hydroxybenzoove|Metoxyde|Nipagin|Nipagin M|NSC 3827|NSC 406127|p-Carbomethoxyphenol|P-HYDROXYBENZOIC ACID METHYL ESTER|P-Hydroxybenzoic acid, |1000398-37-7|156291-94-0|58339-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022529
ERPathway2016 ERPathway2016_428 Methylparaben 99-76-3 DTXSID4022529 ER Pathway Model, Antagonist AC50 64.1358560333104 uM COC(=O)C1=CC=C(O)C=C1 Methylparaben 99-76-3|Methylparaben|4-(Carbomethoxy)phenol|4-(Methoxycarbonyl)phenol|4-hidroxibenzoato de metilo|4-Hydroxybenzoate de methyle|4-HYDROXYBENZOESAEURE-METHYLESTER|4-Hydroxybenzoic acid methyl ester|Aseptoform|BENZOATE, 4-HYDROXY-, METHYL|Benzoic acid, 4-hydroxy-, methyl ester|Benzoic acid, p-hydroxy-, methyl ester|BRN 0509801|Caswell No. 573PP|Danisol M|E 218|E218|EINECS 202-785-7|EPA Pesticide Chemical Code 061201|FEMA No. 2710|FEMA Number 2710|INS No. 218|INS number 218|Killitol|Maseptol|Mekkings M|Metaben|Metagin|Methaben|methyl 4-hydroxybenzoate|Methyl Butex|Methyl chemosept|METHYL ESTER OF P-HYDROXY BENZOIC ACID|Methyl ester of p-hydroxybenzoic acid|METHYL P-HYDROXYBENZOATE|Methyl p-oxybenzoate|METHYL PARABEN|Methyl paraben (Benzoic acid, 4-hydroxy-, methyl ester)|Methyl parahydroxybenzoate|Methyl Parasept|Methyl-4-hydroxybenzoat|Methyl-p-hydroxybenzoate|Methylben|Methylester kyseliny p-hydroxybenzoove|Metoxyde|Nipagin|Nipagin M|NSC 3827|NSC 406127|p-Carbomethoxyphenol|P-HYDROXYBENZOIC ACID METHYL ESTER|P-Hydroxybenzoic acid, |1000398-37-7|156291-94-0|58339-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022529
ERPathway2016 ERPathway2016_428 Methylparaben 99-76-3 DTXSID4022529 ER Pathway Model, Antagonist ACC 58.830885379248 uM COC(=O)C1=CC=C(O)C=C1 Methylparaben 99-76-3|Methylparaben|4-(Carbomethoxy)phenol|4-(Methoxycarbonyl)phenol|4-hidroxibenzoato de metilo|4-Hydroxybenzoate de methyle|4-HYDROXYBENZOESAEURE-METHYLESTER|4-Hydroxybenzoic acid methyl ester|Aseptoform|BENZOATE, 4-HYDROXY-, METHYL|Benzoic acid, 4-hydroxy-, methyl ester|Benzoic acid, p-hydroxy-, methyl ester|BRN 0509801|Caswell No. 573PP|Danisol M|E 218|E218|EINECS 202-785-7|EPA Pesticide Chemical Code 061201|FEMA No. 2710|FEMA Number 2710|INS No. 218|INS number 218|Killitol|Maseptol|Mekkings M|Metaben|Metagin|Methaben|methyl 4-hydroxybenzoate|Methyl Butex|Methyl chemosept|METHYL ESTER OF P-HYDROXY BENZOIC ACID|Methyl ester of p-hydroxybenzoic acid|METHYL P-HYDROXYBENZOATE|Methyl p-oxybenzoate|METHYL PARABEN|Methyl paraben (Benzoic acid, 4-hydroxy-, methyl ester)|Methyl parahydroxybenzoate|Methyl Parasept|Methyl-4-hydroxybenzoat|Methyl-p-hydroxybenzoate|Methylben|Methylester kyseliny p-hydroxybenzoove|Metoxyde|Nipagin|Nipagin M|NSC 3827|NSC 406127|p-Carbomethoxyphenol|P-HYDROXYBENZOIC ACID METHYL ESTER|P-Hydroxybenzoic acid, |1000398-37-7|156291-94-0|58339-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022529
ERPathway2016 ERPathway2016_428 Methylparaben 99-76-3 DTXSID4022529 ER Pathway Model, Agonist Model Score 0.00684 Unitless COC(=O)C1=CC=C(O)C=C1 Methylparaben 99-76-3|Methylparaben|4-(Carbomethoxy)phenol|4-(Methoxycarbonyl)phenol|4-hidroxibenzoato de metilo|4-Hydroxybenzoate de methyle|4-HYDROXYBENZOESAEURE-METHYLESTER|4-Hydroxybenzoic acid methyl ester|Aseptoform|BENZOATE, 4-HYDROXY-, METHYL|Benzoic acid, 4-hydroxy-, methyl ester|Benzoic acid, p-hydroxy-, methyl ester|BRN 0509801|Caswell No. 573PP|Danisol M|E 218|E218|EINECS 202-785-7|EPA Pesticide Chemical Code 061201|FEMA No. 2710|FEMA Number 2710|INS No. 218|INS number 218|Killitol|Maseptol|Mekkings M|Metaben|Metagin|Methaben|methyl 4-hydroxybenzoate|Methyl Butex|Methyl chemosept|METHYL ESTER OF P-HYDROXY BENZOIC ACID|Methyl ester of p-hydroxybenzoic acid|METHYL P-HYDROXYBENZOATE|Methyl p-oxybenzoate|METHYL PARABEN|Methyl paraben (Benzoic acid, 4-hydroxy-, methyl ester)|Methyl parahydroxybenzoate|Methyl Parasept|Methyl-4-hydroxybenzoat|Methyl-p-hydroxybenzoate|Methylben|Methylester kyseliny p-hydroxybenzoove|Metoxyde|Nipagin|Nipagin M|NSC 3827|NSC 406127|p-Carbomethoxyphenol|P-HYDROXYBENZOIC ACID METHYL ESTER|P-Hydroxybenzoic acid, |1000398-37-7|156291-94-0|58339-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022529
ERPathway2016 ERPathway2016_428 Methylparaben 99-76-3 DTXSID4022529 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=CC=C(O)C=C1 Methylparaben 99-76-3|Methylparaben|4-(Carbomethoxy)phenol|4-(Methoxycarbonyl)phenol|4-hidroxibenzoato de metilo|4-Hydroxybenzoate de methyle|4-HYDROXYBENZOESAEURE-METHYLESTER|4-Hydroxybenzoic acid methyl ester|Aseptoform|BENZOATE, 4-HYDROXY-, METHYL|Benzoic acid, 4-hydroxy-, methyl ester|Benzoic acid, p-hydroxy-, methyl ester|BRN 0509801|Caswell No. 573PP|Danisol M|E 218|E218|EINECS 202-785-7|EPA Pesticide Chemical Code 061201|FEMA No. 2710|FEMA Number 2710|INS No. 218|INS number 218|Killitol|Maseptol|Mekkings M|Metaben|Metagin|Methaben|methyl 4-hydroxybenzoate|Methyl Butex|Methyl chemosept|METHYL ESTER OF P-HYDROXY BENZOIC ACID|Methyl ester of p-hydroxybenzoic acid|METHYL P-HYDROXYBENZOATE|Methyl p-oxybenzoate|METHYL PARABEN|Methyl paraben (Benzoic acid, 4-hydroxy-, methyl ester)|Methyl parahydroxybenzoate|Methyl Parasept|Methyl-4-hydroxybenzoat|Methyl-p-hydroxybenzoate|Methylben|Methylester kyseliny p-hydroxybenzoove|Metoxyde|Nipagin|Nipagin M|NSC 3827|NSC 406127|p-Carbomethoxyphenol|P-HYDROXYBENZOIC ACID METHYL ESTER|P-Hydroxybenzoic acid, |1000398-37-7|156291-94-0|58339-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022529
ERPathway2016 ERPathway2016_428 Methylparaben 99-76-3 DTXSID4022529 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=CC=C(O)C=C1 Methylparaben 99-76-3|Methylparaben|4-(Carbomethoxy)phenol|4-(Methoxycarbonyl)phenol|4-hidroxibenzoato de metilo|4-Hydroxybenzoate de methyle|4-HYDROXYBENZOESAEURE-METHYLESTER|4-Hydroxybenzoic acid methyl ester|Aseptoform|BENZOATE, 4-HYDROXY-, METHYL|Benzoic acid, 4-hydroxy-, methyl ester|Benzoic acid, p-hydroxy-, methyl ester|BRN 0509801|Caswell No. 573PP|Danisol M|E 218|E218|EINECS 202-785-7|EPA Pesticide Chemical Code 061201|FEMA No. 2710|FEMA Number 2710|INS No. 218|INS number 218|Killitol|Maseptol|Mekkings M|Metaben|Metagin|Methaben|methyl 4-hydroxybenzoate|Methyl Butex|Methyl chemosept|METHYL ESTER OF P-HYDROXY BENZOIC ACID|Methyl ester of p-hydroxybenzoic acid|METHYL P-HYDROXYBENZOATE|Methyl p-oxybenzoate|METHYL PARABEN|Methyl paraben (Benzoic acid, 4-hydroxy-, methyl ester)|Methyl parahydroxybenzoate|Methyl Parasept|Methyl-4-hydroxybenzoat|Methyl-p-hydroxybenzoate|Methylben|Methylester kyseliny p-hydroxybenzoove|Metoxyde|Nipagin|Nipagin M|NSC 3827|NSC 406127|p-Carbomethoxyphenol|P-HYDROXYBENZOIC ACID METHYL ESTER|P-Hydroxybenzoic acid, |1000398-37-7|156291-94-0|58339-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022529
ERPathway2016 ERPathway2016_428 Methylparaben 99-76-3 DTXSID4022529 ER Pathway Model, Antagonist Call Active Unitless COC(=O)C1=CC=C(O)C=C1 Methylparaben 99-76-3|Methylparaben|4-(Carbomethoxy)phenol|4-(Methoxycarbonyl)phenol|4-hidroxibenzoato de metilo|4-Hydroxybenzoate de methyle|4-HYDROXYBENZOESAEURE-METHYLESTER|4-Hydroxybenzoic acid methyl ester|Aseptoform|BENZOATE, 4-HYDROXY-, METHYL|Benzoic acid, 4-hydroxy-, methyl ester|Benzoic acid, p-hydroxy-, methyl ester|BRN 0509801|Caswell No. 573PP|Danisol M|E 218|E218|EINECS 202-785-7|EPA Pesticide Chemical Code 061201|FEMA No. 2710|FEMA Number 2710|INS No. 218|INS number 218|Killitol|Maseptol|Mekkings M|Metaben|Metagin|Methaben|methyl 4-hydroxybenzoate|Methyl Butex|Methyl chemosept|METHYL ESTER OF P-HYDROXY BENZOIC ACID|Methyl ester of p-hydroxybenzoic acid|METHYL P-HYDROXYBENZOATE|Methyl p-oxybenzoate|METHYL PARABEN|Methyl paraben (Benzoic acid, 4-hydroxy-, methyl ester)|Methyl parahydroxybenzoate|Methyl Parasept|Methyl-4-hydroxybenzoat|Methyl-p-hydroxybenzoate|Methylben|Methylester kyseliny p-hydroxybenzoove|Metoxyde|Nipagin|Nipagin M|NSC 3827|NSC 406127|p-Carbomethoxyphenol|P-HYDROXYBENZOIC ACID METHYL ESTER|P-Hydroxybenzoic acid, |1000398-37-7|156291-94-0|58339-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022529
ARPathway2016 ARPathway2016_196 Methyltrioctylammonium chloride 5137-55-3 DTXSID1044487 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 4.12426062560834 uM [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC Methyltrioctylammonium chloride 5137-55-3|Methyltrioctylammonium chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride (1:1)|Aliquot 336|Ammonium, methyltrioctyl-, chloride|Capriquat|chlorure de methyltrioctylammonium|cloruro de metiltrioctilamonio|EINECS 225-896-2|METHYL TRIOCTYLAMMONIUM CHLORIDE|Methyltricaprylammonium chloride|Methyltricaprylylammonium chloride|Methyltrioctylammoniumchlorid|N-Methyl-N,N-dioctyl-1-octanaminium chloride|N-Methyl-N,N-dioctyloctan-1-aminium chloride|NSC 61369|Tri-n-octylmethylammonium chloride|Tricaprylmethylammonium chloride|Tricaprylyl methyl ammonium chloride|Tricaprylylmethylammonium chloride|Trioctylmethylammonium chloride|Trioctylmonomethylammonium chloride|13275-89-3|134872-41-6|3682-18-6|41575-10-4|76925-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044487
ARPathway2016 ARPathway2016_196 Methyltrioctylammonium chloride 5137-55-3 DTXSID1044487 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 3.39738286222037 uM [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC Methyltrioctylammonium chloride 5137-55-3|Methyltrioctylammonium chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride (1:1)|Aliquot 336|Ammonium, methyltrioctyl-, chloride|Capriquat|chlorure de methyltrioctylammonium|cloruro de metiltrioctilamonio|EINECS 225-896-2|METHYL TRIOCTYLAMMONIUM CHLORIDE|Methyltricaprylammonium chloride|Methyltricaprylylammonium chloride|Methyltrioctylammoniumchlorid|N-Methyl-N,N-dioctyl-1-octanaminium chloride|N-Methyl-N,N-dioctyloctan-1-aminium chloride|NSC 61369|Tri-n-octylmethylammonium chloride|Tricaprylmethylammonium chloride|Tricaprylyl methyl ammonium chloride|Tricaprylylmethylammonium chloride|Trioctylmethylammonium chloride|Trioctylmonomethylammonium chloride|13275-89-3|134872-41-6|3682-18-6|41575-10-4|76925-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044487
ARPathway2016 ARPathway2016_196 Methyltrioctylammonium chloride 5137-55-3 DTXSID1044487 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.539 Unitless [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC Methyltrioctylammonium chloride 5137-55-3|Methyltrioctylammonium chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride (1:1)|Aliquot 336|Ammonium, methyltrioctyl-, chloride|Capriquat|chlorure de methyltrioctylammonium|cloruro de metiltrioctilamonio|EINECS 225-896-2|METHYL TRIOCTYLAMMONIUM CHLORIDE|Methyltricaprylammonium chloride|Methyltricaprylylammonium chloride|Methyltrioctylammoniumchlorid|N-Methyl-N,N-dioctyl-1-octanaminium chloride|N-Methyl-N,N-dioctyloctan-1-aminium chloride|NSC 61369|Tri-n-octylmethylammonium chloride|Tricaprylmethylammonium chloride|Tricaprylyl methyl ammonium chloride|Tricaprylylmethylammonium chloride|Trioctylmethylammonium chloride|Trioctylmonomethylammonium chloride|13275-89-3|134872-41-6|3682-18-6|41575-10-4|76925-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044487
ARPathway2016 ARPathway2016_196 Methyltrioctylammonium chloride 5137-55-3 DTXSID1044487 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC Methyltrioctylammonium chloride 5137-55-3|Methyltrioctylammonium chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride (1:1)|Aliquot 336|Ammonium, methyltrioctyl-, chloride|Capriquat|chlorure de methyltrioctylammonium|cloruro de metiltrioctilamonio|EINECS 225-896-2|METHYL TRIOCTYLAMMONIUM CHLORIDE|Methyltricaprylammonium chloride|Methyltricaprylylammonium chloride|Methyltrioctylammoniumchlorid|N-Methyl-N,N-dioctyl-1-octanaminium chloride|N-Methyl-N,N-dioctyloctan-1-aminium chloride|NSC 61369|Tri-n-octylmethylammonium chloride|Tricaprylmethylammonium chloride|Tricaprylyl methyl ammonium chloride|Tricaprylylmethylammonium chloride|Trioctylmethylammonium chloride|Trioctylmonomethylammonium chloride|13275-89-3|134872-41-6|3682-18-6|41575-10-4|76925-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044487
ARPathway2016 ARPathway2016_196 Methyltrioctylammonium chloride 5137-55-3 DTXSID1044487 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC Methyltrioctylammonium chloride 5137-55-3|Methyltrioctylammonium chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride (1:1)|Aliquot 336|Ammonium, methyltrioctyl-, chloride|Capriquat|chlorure de methyltrioctylammonium|cloruro de metiltrioctilamonio|EINECS 225-896-2|METHYL TRIOCTYLAMMONIUM CHLORIDE|Methyltricaprylammonium chloride|Methyltricaprylylammonium chloride|Methyltrioctylammoniumchlorid|N-Methyl-N,N-dioctyl-1-octanaminium chloride|N-Methyl-N,N-dioctyloctan-1-aminium chloride|NSC 61369|Tri-n-octylmethylammonium chloride|Tricaprylmethylammonium chloride|Tricaprylyl methyl ammonium chloride|Tricaprylylmethylammonium chloride|Trioctylmethylammonium chloride|Trioctylmonomethylammonium chloride|13275-89-3|134872-41-6|3682-18-6|41575-10-4|76925-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044487
ARPathway2016 ARPathway2016_196 Methyltrioctylammonium chloride 5137-55-3 DTXSID1044487 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC Methyltrioctylammonium chloride 5137-55-3|Methyltrioctylammonium chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride (1:1)|Aliquot 336|Ammonium, methyltrioctyl-, chloride|Capriquat|chlorure de methyltrioctylammonium|cloruro de metiltrioctilamonio|EINECS 225-896-2|METHYL TRIOCTYLAMMONIUM CHLORIDE|Methyltricaprylammonium chloride|Methyltricaprylylammonium chloride|Methyltrioctylammoniumchlorid|N-Methyl-N,N-dioctyl-1-octanaminium chloride|N-Methyl-N,N-dioctyloctan-1-aminium chloride|NSC 61369|Tri-n-octylmethylammonium chloride|Tricaprylmethylammonium chloride|Tricaprylyl methyl ammonium chloride|Tricaprylylmethylammonium chloride|Trioctylmethylammonium chloride|Trioctylmonomethylammonium chloride|13275-89-3|134872-41-6|3682-18-6|41575-10-4|76925-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044487
ERPathway2016 ERPathway2016_39 Methyltrioctylammonium chloride 5137-55-3 DTXSID1044487 A3 ER Pathway Model, Agonist AC50 13.2354218136997 uM [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC Methyltrioctylammonium chloride 5137-55-3|Methyltrioctylammonium chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride (1:1)|Aliquot 336|Ammonium, methyltrioctyl-, chloride|Capriquat|chlorure de methyltrioctylammonium|cloruro de metiltrioctilamonio|EINECS 225-896-2|METHYL TRIOCTYLAMMONIUM CHLORIDE|Methyltricaprylammonium chloride|Methyltricaprylylammonium chloride|Methyltrioctylammoniumchlorid|N-Methyl-N,N-dioctyl-1-octanaminium chloride|N-Methyl-N,N-dioctyloctan-1-aminium chloride|NSC 61369|Tri-n-octylmethylammonium chloride|Tricaprylmethylammonium chloride|Tricaprylyl methyl ammonium chloride|Tricaprylylmethylammonium chloride|Trioctylmethylammonium chloride|Trioctylmonomethylammonium chloride|13275-89-3|134872-41-6|3682-18-6|41575-10-4|76925-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044487
ERPathway2016 ERPathway2016_39 Methyltrioctylammonium chloride 5137-55-3 DTXSID1044487 A3 ER Pathway Model, Agonist ACC 11.6613936946113 uM [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC Methyltrioctylammonium chloride 5137-55-3|Methyltrioctylammonium chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride (1:1)|Aliquot 336|Ammonium, methyltrioctyl-, chloride|Capriquat|chlorure de methyltrioctylammonium|cloruro de metiltrioctilamonio|EINECS 225-896-2|METHYL TRIOCTYLAMMONIUM CHLORIDE|Methyltricaprylammonium chloride|Methyltricaprylylammonium chloride|Methyltrioctylammoniumchlorid|N-Methyl-N,N-dioctyl-1-octanaminium chloride|N-Methyl-N,N-dioctyloctan-1-aminium chloride|NSC 61369|Tri-n-octylmethylammonium chloride|Tricaprylmethylammonium chloride|Tricaprylyl methyl ammonium chloride|Tricaprylylmethylammonium chloride|Trioctylmethylammonium chloride|Trioctylmonomethylammonium chloride|13275-89-3|134872-41-6|3682-18-6|41575-10-4|76925-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044487
ERPathway2016 ERPathway2016_39 Methyltrioctylammonium chloride 5137-55-3 DTXSID1044487 A3 ER Pathway Model, Agonist Model Score 0.00331 Unitless [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC Methyltrioctylammonium chloride 5137-55-3|Methyltrioctylammonium chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride (1:1)|Aliquot 336|Ammonium, methyltrioctyl-, chloride|Capriquat|chlorure de methyltrioctylammonium|cloruro de metiltrioctilamonio|EINECS 225-896-2|METHYL TRIOCTYLAMMONIUM CHLORIDE|Methyltricaprylammonium chloride|Methyltricaprylylammonium chloride|Methyltrioctylammoniumchlorid|N-Methyl-N,N-dioctyl-1-octanaminium chloride|N-Methyl-N,N-dioctyloctan-1-aminium chloride|NSC 61369|Tri-n-octylmethylammonium chloride|Tricaprylmethylammonium chloride|Tricaprylyl methyl ammonium chloride|Tricaprylylmethylammonium chloride|Trioctylmethylammonium chloride|Trioctylmonomethylammonium chloride|13275-89-3|134872-41-6|3682-18-6|41575-10-4|76925-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044487
ERPathway2016 ERPathway2016_39 Methyltrioctylammonium chloride 5137-55-3 DTXSID1044487 A3 ER Pathway Model, Antagonist Model Score 0.0697 Unitless [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC Methyltrioctylammonium chloride 5137-55-3|Methyltrioctylammonium chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride (1:1)|Aliquot 336|Ammonium, methyltrioctyl-, chloride|Capriquat|chlorure de methyltrioctylammonium|cloruro de metiltrioctilamonio|EINECS 225-896-2|METHYL TRIOCTYLAMMONIUM CHLORIDE|Methyltricaprylammonium chloride|Methyltricaprylylammonium chloride|Methyltrioctylammoniumchlorid|N-Methyl-N,N-dioctyl-1-octanaminium chloride|N-Methyl-N,N-dioctyloctan-1-aminium chloride|NSC 61369|Tri-n-octylmethylammonium chloride|Tricaprylmethylammonium chloride|Tricaprylyl methyl ammonium chloride|Tricaprylylmethylammonium chloride|Trioctylmethylammonium chloride|Trioctylmonomethylammonium chloride|13275-89-3|134872-41-6|3682-18-6|41575-10-4|76925-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044487
ERPathway2016 ERPathway2016_39 Methyltrioctylammonium chloride 5137-55-3 DTXSID1044487 A3 ER Pathway Model, Agonist Call Active Unitless [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC Methyltrioctylammonium chloride 5137-55-3|Methyltrioctylammonium chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride (1:1)|Aliquot 336|Ammonium, methyltrioctyl-, chloride|Capriquat|chlorure de methyltrioctylammonium|cloruro de metiltrioctilamonio|EINECS 225-896-2|METHYL TRIOCTYLAMMONIUM CHLORIDE|Methyltricaprylammonium chloride|Methyltricaprylylammonium chloride|Methyltrioctylammoniumchlorid|N-Methyl-N,N-dioctyl-1-octanaminium chloride|N-Methyl-N,N-dioctyloctan-1-aminium chloride|NSC 61369|Tri-n-octylmethylammonium chloride|Tricaprylmethylammonium chloride|Tricaprylyl methyl ammonium chloride|Tricaprylylmethylammonium chloride|Trioctylmethylammonium chloride|Trioctylmonomethylammonium chloride|13275-89-3|134872-41-6|3682-18-6|41575-10-4|76925-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044487
ERPathway2016 ERPathway2016_39 Methyltrioctylammonium chloride 5137-55-3 DTXSID1044487 A3 ER Pathway Model, Antagonist Call Inactive Unitless [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC Methyltrioctylammonium chloride 5137-55-3|Methyltrioctylammonium chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride|1-Octanaminium, N-methyl-N,N-dioctyl-, chloride (1:1)|Aliquot 336|Ammonium, methyltrioctyl-, chloride|Capriquat|chlorure de methyltrioctylammonium|cloruro de metiltrioctilamonio|EINECS 225-896-2|METHYL TRIOCTYLAMMONIUM CHLORIDE|Methyltricaprylammonium chloride|Methyltricaprylylammonium chloride|Methyltrioctylammoniumchlorid|N-Methyl-N,N-dioctyl-1-octanaminium chloride|N-Methyl-N,N-dioctyloctan-1-aminium chloride|NSC 61369|Tri-n-octylmethylammonium chloride|Tricaprylmethylammonium chloride|Tricaprylyl methyl ammonium chloride|Tricaprylylmethylammonium chloride|Trioctylmethylammonium chloride|Trioctylmonomethylammonium chloride|13275-89-3|134872-41-6|3682-18-6|41575-10-4|76925-99-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044487
ARPathway2016 ARPathway2016_1254 Metolachlor 51218-45-2 DTXSID4022448 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC1=C(N(C(C)COC)C(=O)CCl)C(C)=CC=C1 Metolachlor 51218-45-2|Metolachlor|2-Aethyl-6-methyl-N-(1-methyl-2-methoxyaethyl)-chloracetanilid|2-Chlor-2'-ethyl-N-(2-methoxy-1-methylethyl)-6'-methylacetanilid|2-chloro-2'-ethyl-N-(2-methoxy-1-methylethyl)-6'-methylacetanilide|2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)-o-acetotoluidine|2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)acet-o-toluidide|2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)acetamide|2-cloro-2'-etil-N-(2-metoxi-1-metiletil)-6'-metilacetanilida|2-Ethyl-6-methyl-1-N-(2-methoxy-1-methylethyl)chloroacetanilide|2-Etylo-6-metylo-N-(1'-metylo-2'-metoksyetylo)chloroacetanilid|257-060-8|Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)-|Acetamide, 2-chloro-N-(6-ethyl-o-tolyl)-N-(2-methoxy-1-methylethyl)-|alpha-Chlor-6'-aethyl-N-(2-methoxy-1-methylaethyl)-acet-o-toluidin|alpha-Chloro-2'-ethyl-6'-methyl-N-(1-methyl-2-methoxyethyl)-acetanilide|BRN 2743537|Caswell No. 188DD|Dual 960 EC|Dual II|Dual Magnum|Dual Triple|EC No.: 257-060-8|EINECS 257-060-8|Humextra|Jindual|Metelilachlor|Metetilac|55762-76-0|63150-68-5|94449-58-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022448 https://doi.org/10.22427/NTP-DATA-DTXSID4022448
ARPathway2016 ARPathway2016_1254 Metolachlor 51218-45-2 DTXSID4022448 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC1=C(N(C(C)COC)C(=O)CCl)C(C)=CC=C1 Metolachlor 51218-45-2|Metolachlor|2-Aethyl-6-methyl-N-(1-methyl-2-methoxyaethyl)-chloracetanilid|2-Chlor-2'-ethyl-N-(2-methoxy-1-methylethyl)-6'-methylacetanilid|2-chloro-2'-ethyl-N-(2-methoxy-1-methylethyl)-6'-methylacetanilide|2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)-o-acetotoluidine|2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)acet-o-toluidide|2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)acetamide|2-cloro-2'-etil-N-(2-metoxi-1-metiletil)-6'-metilacetanilida|2-Ethyl-6-methyl-1-N-(2-methoxy-1-methylethyl)chloroacetanilide|2-Etylo-6-metylo-N-(1'-metylo-2'-metoksyetylo)chloroacetanilid|257-060-8|Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)-|Acetamide, 2-chloro-N-(6-ethyl-o-tolyl)-N-(2-methoxy-1-methylethyl)-|alpha-Chlor-6'-aethyl-N-(2-methoxy-1-methylaethyl)-acet-o-toluidin|alpha-Chloro-2'-ethyl-6'-methyl-N-(1-methyl-2-methoxyethyl)-acetanilide|BRN 2743537|Caswell No. 188DD|Dual 960 EC|Dual II|Dual Magnum|Dual Triple|EC No.: 257-060-8|EINECS 257-060-8|Humextra|Jindual|Metelilachlor|Metetilac|55762-76-0|63150-68-5|94449-58-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022448 https://doi.org/10.22427/NTP-DATA-DTXSID4022448
ARPathway2016 ARPathway2016_1254 Metolachlor 51218-45-2 DTXSID4022448 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC1=C(N(C(C)COC)C(=O)CCl)C(C)=CC=C1 Metolachlor 51218-45-2|Metolachlor|2-Aethyl-6-methyl-N-(1-methyl-2-methoxyaethyl)-chloracetanilid|2-Chlor-2'-ethyl-N-(2-methoxy-1-methylethyl)-6'-methylacetanilid|2-chloro-2'-ethyl-N-(2-methoxy-1-methylethyl)-6'-methylacetanilide|2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)-o-acetotoluidine|2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)acet-o-toluidide|2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)acetamide|2-cloro-2'-etil-N-(2-metoxi-1-metiletil)-6'-metilacetanilida|2-Ethyl-6-methyl-1-N-(2-methoxy-1-methylethyl)chloroacetanilide|2-Etylo-6-metylo-N-(1'-metylo-2'-metoksyetylo)chloroacetanilid|257-060-8|Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)-|Acetamide, 2-chloro-N-(6-ethyl-o-tolyl)-N-(2-methoxy-1-methylethyl)-|alpha-Chlor-6'-aethyl-N-(2-methoxy-1-methylaethyl)-acet-o-toluidin|alpha-Chloro-2'-ethyl-6'-methyl-N-(1-methyl-2-methoxyethyl)-acetanilide|BRN 2743537|Caswell No. 188DD|Dual 960 EC|Dual II|Dual Magnum|Dual Triple|EC No.: 257-060-8|EINECS 257-060-8|Humextra|Jindual|Metelilachlor|Metetilac|55762-76-0|63150-68-5|94449-58-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022448 https://doi.org/10.22427/NTP-DATA-DTXSID4022448
ARPathway2016 ARPathway2016_1254 Metolachlor 51218-45-2 DTXSID4022448 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC1=C(N(C(C)COC)C(=O)CCl)C(C)=CC=C1 Metolachlor 51218-45-2|Metolachlor|2-Aethyl-6-methyl-N-(1-methyl-2-methoxyaethyl)-chloracetanilid|2-Chlor-2'-ethyl-N-(2-methoxy-1-methylethyl)-6'-methylacetanilid|2-chloro-2'-ethyl-N-(2-methoxy-1-methylethyl)-6'-methylacetanilide|2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)-o-acetotoluidine|2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)acet-o-toluidide|2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)acetamide|2-cloro-2'-etil-N-(2-metoxi-1-metiletil)-6'-metilacetanilida|2-Ethyl-6-methyl-1-N-(2-methoxy-1-methylethyl)chloroacetanilide|2-Etylo-6-metylo-N-(1'-metylo-2'-metoksyetylo)chloroacetanilid|257-060-8|Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)-|Acetamide, 2-chloro-N-(6-ethyl-o-tolyl)-N-(2-methoxy-1-methylethyl)-|alpha-Chlor-6'-aethyl-N-(2-methoxy-1-methylaethyl)-acet-o-toluidin|alpha-Chloro-2'-ethyl-6'-methyl-N-(1-methyl-2-methoxyethyl)-acetanilide|BRN 2743537|Caswell No. 188DD|Dual 960 EC|Dual II|Dual Magnum|Dual Triple|EC No.: 257-060-8|EINECS 257-060-8|Humextra|Jindual|Metelilachlor|Metetilac|55762-76-0|63150-68-5|94449-58-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022448 https://doi.org/10.22427/NTP-DATA-DTXSID4022448
ERPathway2016 ERPathway2016_516 Metolachlor 51218-45-2 DTXSID4022448 R6 ER Pathway Model, Agonist Model Score 0 Unitless CCC1=C(N(C(C)COC)C(=O)CCl)C(C)=CC=C1 Metolachlor 51218-45-2|Metolachlor|2-Aethyl-6-methyl-N-(1-methyl-2-methoxyaethyl)-chloracetanilid|2-Chlor-2'-ethyl-N-(2-methoxy-1-methylethyl)-6'-methylacetanilid|2-chloro-2'-ethyl-N-(2-methoxy-1-methylethyl)-6'-methylacetanilide|2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)-o-acetotoluidine|2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)acet-o-toluidide|2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)acetamide|2-cloro-2'-etil-N-(2-metoxi-1-metiletil)-6'-metilacetanilida|2-Ethyl-6-methyl-1-N-(2-methoxy-1-methylethyl)chloroacetanilide|2-Etylo-6-metylo-N-(1'-metylo-2'-metoksyetylo)chloroacetanilid|257-060-8|Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)-|Acetamide, 2-chloro-N-(6-ethyl-o-tolyl)-N-(2-methoxy-1-methylethyl)-|alpha-Chlor-6'-aethyl-N-(2-methoxy-1-methylaethyl)-acet-o-toluidin|alpha-Chloro-2'-ethyl-6'-methyl-N-(1-methyl-2-methoxyethyl)-acetanilide|BRN 2743537|Caswell No. 188DD|Dual 960 EC|Dual II|Dual Magnum|Dual Triple|EC No.: 257-060-8|EINECS 257-060-8|Humextra|Jindual|Metelilachlor|Metetilac|55762-76-0|63150-68-5|94449-58-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022448 https://doi.org/10.22427/NTP-DATA-DTXSID4022448
ERPathway2016 ERPathway2016_516 Metolachlor 51218-45-2 DTXSID4022448 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=C(N(C(C)COC)C(=O)CCl)C(C)=CC=C1 Metolachlor 51218-45-2|Metolachlor|2-Aethyl-6-methyl-N-(1-methyl-2-methoxyaethyl)-chloracetanilid|2-Chlor-2'-ethyl-N-(2-methoxy-1-methylethyl)-6'-methylacetanilid|2-chloro-2'-ethyl-N-(2-methoxy-1-methylethyl)-6'-methylacetanilide|2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)-o-acetotoluidine|2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)acet-o-toluidide|2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)acetamide|2-cloro-2'-etil-N-(2-metoxi-1-metiletil)-6'-metilacetanilida|2-Ethyl-6-methyl-1-N-(2-methoxy-1-methylethyl)chloroacetanilide|2-Etylo-6-metylo-N-(1'-metylo-2'-metoksyetylo)chloroacetanilid|257-060-8|Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)-|Acetamide, 2-chloro-N-(6-ethyl-o-tolyl)-N-(2-methoxy-1-methylethyl)-|alpha-Chlor-6'-aethyl-N-(2-methoxy-1-methylaethyl)-acet-o-toluidin|alpha-Chloro-2'-ethyl-6'-methyl-N-(1-methyl-2-methoxyethyl)-acetanilide|BRN 2743537|Caswell No. 188DD|Dual 960 EC|Dual II|Dual Magnum|Dual Triple|EC No.: 257-060-8|EINECS 257-060-8|Humextra|Jindual|Metelilachlor|Metetilac|55762-76-0|63150-68-5|94449-58-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022448 https://doi.org/10.22427/NTP-DATA-DTXSID4022448
ERPathway2016 ERPathway2016_516 Metolachlor 51218-45-2 DTXSID4022448 R6 ER Pathway Model, Agonist Call Inactive Unitless CCC1=C(N(C(C)COC)C(=O)CCl)C(C)=CC=C1 Metolachlor 51218-45-2|Metolachlor|2-Aethyl-6-methyl-N-(1-methyl-2-methoxyaethyl)-chloracetanilid|2-Chlor-2'-ethyl-N-(2-methoxy-1-methylethyl)-6'-methylacetanilid|2-chloro-2'-ethyl-N-(2-methoxy-1-methylethyl)-6'-methylacetanilide|2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)-o-acetotoluidine|2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)acet-o-toluidide|2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)acetamide|2-cloro-2'-etil-N-(2-metoxi-1-metiletil)-6'-metilacetanilida|2-Ethyl-6-methyl-1-N-(2-methoxy-1-methylethyl)chloroacetanilide|2-Etylo-6-metylo-N-(1'-metylo-2'-metoksyetylo)chloroacetanilid|257-060-8|Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)-|Acetamide, 2-chloro-N-(6-ethyl-o-tolyl)-N-(2-methoxy-1-methylethyl)-|alpha-Chlor-6'-aethyl-N-(2-methoxy-1-methylaethyl)-acet-o-toluidin|alpha-Chloro-2'-ethyl-6'-methyl-N-(1-methyl-2-methoxyethyl)-acetanilide|BRN 2743537|Caswell No. 188DD|Dual 960 EC|Dual II|Dual Magnum|Dual Triple|EC No.: 257-060-8|EINECS 257-060-8|Humextra|Jindual|Metelilachlor|Metetilac|55762-76-0|63150-68-5|94449-58-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022448 https://doi.org/10.22427/NTP-DATA-DTXSID4022448
ERPathway2016 ERPathway2016_516 Metolachlor 51218-45-2 DTXSID4022448 R6 ER Pathway Model, Antagonist Call Inactive Unitless CCC1=C(N(C(C)COC)C(=O)CCl)C(C)=CC=C1 Metolachlor 51218-45-2|Metolachlor|2-Aethyl-6-methyl-N-(1-methyl-2-methoxyaethyl)-chloracetanilid|2-Chlor-2'-ethyl-N-(2-methoxy-1-methylethyl)-6'-methylacetanilid|2-chloro-2'-ethyl-N-(2-methoxy-1-methylethyl)-6'-methylacetanilide|2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)-o-acetotoluidine|2-Chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)acet-o-toluidide|2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)acetamide|2-cloro-2'-etil-N-(2-metoxi-1-metiletil)-6'-metilacetanilida|2-Ethyl-6-methyl-1-N-(2-methoxy-1-methylethyl)chloroacetanilide|2-Etylo-6-metylo-N-(1'-metylo-2'-metoksyetylo)chloroacetanilid|257-060-8|Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)-|Acetamide, 2-chloro-N-(6-ethyl-o-tolyl)-N-(2-methoxy-1-methylethyl)-|alpha-Chlor-6'-aethyl-N-(2-methoxy-1-methylaethyl)-acet-o-toluidin|alpha-Chloro-2'-ethyl-6'-methyl-N-(1-methyl-2-methoxyethyl)-acetanilide|BRN 2743537|Caswell No. 188DD|Dual 960 EC|Dual II|Dual Magnum|Dual Triple|EC No.: 257-060-8|EINECS 257-060-8|Humextra|Jindual|Metelilachlor|Metetilac|55762-76-0|63150-68-5|94449-58-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022448 https://doi.org/10.22427/NTP-DATA-DTXSID4022448
ARPathway2016 ARPathway2016_990 Metribuzin 21087-64-9 DTXSID6024204 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CSC1=NN=C(C(=O)N1N)C(C)(C)C Metribuzin 21087-64-9|Metribuzin|1,2,4-Triazin-5-one, 4-amino-6-tert-butyl-3-(methylthio)-|1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-3-(methylthio)-|244-209-7|3-Methylthio-4-amino-6-tert-butyl-1,2,4-triazin-5-one|3-Methylthio-4-amino-6-tert-butyl-1,2,4-triazin-5(4H)-one|4-Amino-6-(1,1-dimethylethyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazine-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-4,5-dihydro-1,2,4-triazin-5-one|4-Amino-6-tert-butyl-3-(methylthio)-as-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-methylthio-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-4,5-dihydro-3-methylthio-1,2,4-triazin-5-one|5-26-06-00432|as-Triazin-5(4H)-one, 4-amino-6-tert-butyl-3-(methylthio)-|BAY dic 1468|Bayer 6159H|Bayer 6443H|Bayer 94337|BRN 0746650|Caswell No. 033D|DIC 1468|EC No.: 244-209-7|EINECS 244-209-7|EPA Pesticide Chemical Code 101101|Lexone DF|Metribuzine|PC 101101|PC Code 101101|S https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024204
ARPathway2016 ARPathway2016_990 Metribuzin 21087-64-9 DTXSID6024204 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CSC1=NN=C(C(=O)N1N)C(C)(C)C Metribuzin 21087-64-9|Metribuzin|1,2,4-Triazin-5-one, 4-amino-6-tert-butyl-3-(methylthio)-|1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-3-(methylthio)-|244-209-7|3-Methylthio-4-amino-6-tert-butyl-1,2,4-triazin-5-one|3-Methylthio-4-amino-6-tert-butyl-1,2,4-triazin-5(4H)-one|4-Amino-6-(1,1-dimethylethyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazine-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-4,5-dihydro-1,2,4-triazin-5-one|4-Amino-6-tert-butyl-3-(methylthio)-as-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-methylthio-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-4,5-dihydro-3-methylthio-1,2,4-triazin-5-one|5-26-06-00432|as-Triazin-5(4H)-one, 4-amino-6-tert-butyl-3-(methylthio)-|BAY dic 1468|Bayer 6159H|Bayer 6443H|Bayer 94337|BRN 0746650|Caswell No. 033D|DIC 1468|EC No.: 244-209-7|EINECS 244-209-7|EPA Pesticide Chemical Code 101101|Lexone DF|Metribuzine|PC 101101|PC Code 101101|S https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024204
ARPathway2016 ARPathway2016_990 Metribuzin 21087-64-9 DTXSID6024204 0.0 AR Pathway Model, Agonist Call Inactive Unitless CSC1=NN=C(C(=O)N1N)C(C)(C)C Metribuzin 21087-64-9|Metribuzin|1,2,4-Triazin-5-one, 4-amino-6-tert-butyl-3-(methylthio)-|1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-3-(methylthio)-|244-209-7|3-Methylthio-4-amino-6-tert-butyl-1,2,4-triazin-5-one|3-Methylthio-4-amino-6-tert-butyl-1,2,4-triazin-5(4H)-one|4-Amino-6-(1,1-dimethylethyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazine-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-4,5-dihydro-1,2,4-triazin-5-one|4-Amino-6-tert-butyl-3-(methylthio)-as-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-methylthio-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-4,5-dihydro-3-methylthio-1,2,4-triazin-5-one|5-26-06-00432|as-Triazin-5(4H)-one, 4-amino-6-tert-butyl-3-(methylthio)-|BAY dic 1468|Bayer 6159H|Bayer 6443H|Bayer 94337|BRN 0746650|Caswell No. 033D|DIC 1468|EC No.: 244-209-7|EINECS 244-209-7|EPA Pesticide Chemical Code 101101|Lexone DF|Metribuzine|PC 101101|PC Code 101101|S https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024204
ARPathway2016 ARPathway2016_990 Metribuzin 21087-64-9 DTXSID6024204 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CSC1=NN=C(C(=O)N1N)C(C)(C)C Metribuzin 21087-64-9|Metribuzin|1,2,4-Triazin-5-one, 4-amino-6-tert-butyl-3-(methylthio)-|1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-3-(methylthio)-|244-209-7|3-Methylthio-4-amino-6-tert-butyl-1,2,4-triazin-5-one|3-Methylthio-4-amino-6-tert-butyl-1,2,4-triazin-5(4H)-one|4-Amino-6-(1,1-dimethylethyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazine-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-4,5-dihydro-1,2,4-triazin-5-one|4-Amino-6-tert-butyl-3-(methylthio)-as-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-methylthio-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-4,5-dihydro-3-methylthio-1,2,4-triazin-5-one|5-26-06-00432|as-Triazin-5(4H)-one, 4-amino-6-tert-butyl-3-(methylthio)-|BAY dic 1468|Bayer 6159H|Bayer 6443H|Bayer 94337|BRN 0746650|Caswell No. 033D|DIC 1468|EC No.: 244-209-7|EINECS 244-209-7|EPA Pesticide Chemical Code 101101|Lexone DF|Metribuzine|PC 101101|PC Code 101101|S https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024204
ERPathway2016 ERPathway2016_1375 Metribuzin 21087-64-9 DTXSID6024204 ER Pathway Model, Agonist Model Score 0 Unitless CSC1=NN=C(C(=O)N1N)C(C)(C)C Metribuzin 21087-64-9|Metribuzin|1,2,4-Triazin-5-one, 4-amino-6-tert-butyl-3-(methylthio)-|1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-3-(methylthio)-|244-209-7|3-Methylthio-4-amino-6-tert-butyl-1,2,4-triazin-5-one|3-Methylthio-4-amino-6-tert-butyl-1,2,4-triazin-5(4H)-one|4-Amino-6-(1,1-dimethylethyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazine-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-4,5-dihydro-1,2,4-triazin-5-one|4-Amino-6-tert-butyl-3-(methylthio)-as-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-methylthio-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-4,5-dihydro-3-methylthio-1,2,4-triazin-5-one|5-26-06-00432|as-Triazin-5(4H)-one, 4-amino-6-tert-butyl-3-(methylthio)-|BAY dic 1468|Bayer 6159H|Bayer 6443H|Bayer 94337|BRN 0746650|Caswell No. 033D|DIC 1468|EC No.: 244-209-7|EINECS 244-209-7|EPA Pesticide Chemical Code 101101|Lexone DF|Metribuzine|PC 101101|PC Code 101101|S https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024204
ERPathway2016 ERPathway2016_1375 Metribuzin 21087-64-9 DTXSID6024204 ER Pathway Model, Antagonist Model Score 0 Unitless CSC1=NN=C(C(=O)N1N)C(C)(C)C Metribuzin 21087-64-9|Metribuzin|1,2,4-Triazin-5-one, 4-amino-6-tert-butyl-3-(methylthio)-|1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-3-(methylthio)-|244-209-7|3-Methylthio-4-amino-6-tert-butyl-1,2,4-triazin-5-one|3-Methylthio-4-amino-6-tert-butyl-1,2,4-triazin-5(4H)-one|4-Amino-6-(1,1-dimethylethyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazine-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-4,5-dihydro-1,2,4-triazin-5-one|4-Amino-6-tert-butyl-3-(methylthio)-as-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-methylthio-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-4,5-dihydro-3-methylthio-1,2,4-triazin-5-one|5-26-06-00432|as-Triazin-5(4H)-one, 4-amino-6-tert-butyl-3-(methylthio)-|BAY dic 1468|Bayer 6159H|Bayer 6443H|Bayer 94337|BRN 0746650|Caswell No. 033D|DIC 1468|EC No.: 244-209-7|EINECS 244-209-7|EPA Pesticide Chemical Code 101101|Lexone DF|Metribuzine|PC 101101|PC Code 101101|S https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024204
ERPathway2016 ERPathway2016_1375 Metribuzin 21087-64-9 DTXSID6024204 ER Pathway Model, Agonist Call Inactive Unitless CSC1=NN=C(C(=O)N1N)C(C)(C)C Metribuzin 21087-64-9|Metribuzin|1,2,4-Triazin-5-one, 4-amino-6-tert-butyl-3-(methylthio)-|1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-3-(methylthio)-|244-209-7|3-Methylthio-4-amino-6-tert-butyl-1,2,4-triazin-5-one|3-Methylthio-4-amino-6-tert-butyl-1,2,4-triazin-5(4H)-one|4-Amino-6-(1,1-dimethylethyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazine-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-4,5-dihydro-1,2,4-triazin-5-one|4-Amino-6-tert-butyl-3-(methylthio)-as-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-methylthio-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-4,5-dihydro-3-methylthio-1,2,4-triazin-5-one|5-26-06-00432|as-Triazin-5(4H)-one, 4-amino-6-tert-butyl-3-(methylthio)-|BAY dic 1468|Bayer 6159H|Bayer 6443H|Bayer 94337|BRN 0746650|Caswell No. 033D|DIC 1468|EC No.: 244-209-7|EINECS 244-209-7|EPA Pesticide Chemical Code 101101|Lexone DF|Metribuzine|PC 101101|PC Code 101101|S https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024204
ERPathway2016 ERPathway2016_1375 Metribuzin 21087-64-9 DTXSID6024204 ER Pathway Model, Antagonist Call Inactive Unitless CSC1=NN=C(C(=O)N1N)C(C)(C)C Metribuzin 21087-64-9|Metribuzin|1,2,4-Triazin-5-one, 4-amino-6-tert-butyl-3-(methylthio)-|1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-3-(methylthio)-|244-209-7|3-Methylthio-4-amino-6-tert-butyl-1,2,4-triazin-5-one|3-Methylthio-4-amino-6-tert-butyl-1,2,4-triazin-5(4H)-one|4-Amino-6-(1,1-dimethylethyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-1,2,4-triazine-5(4H)-one|4-Amino-6-tert-butyl-3-(methylthio)-4,5-dihydro-1,2,4-triazin-5-one|4-Amino-6-tert-butyl-3-(methylthio)-as-triazin-5(4H)-one|4-Amino-6-tert-butyl-3-methylthio-1,2,4-triazin-5(4H)-one|4-Amino-6-tert-butyl-4,5-dihydro-3-methylthio-1,2,4-triazin-5-one|5-26-06-00432|as-Triazin-5(4H)-one, 4-amino-6-tert-butyl-3-(methylthio)-|BAY dic 1468|Bayer 6159H|Bayer 6443H|Bayer 94337|BRN 0746650|Caswell No. 033D|DIC 1468|EC No.: 244-209-7|EINECS 244-209-7|EPA Pesticide Chemical Code 101101|Lexone DF|Metribuzine|PC 101101|PC Code 101101|S https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024204
ARPathway2016 ARPathway2016_1563 Mevinphos 7786-34-7 DTXSID2032683 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C=C(C)OP(=O)(OC)OC Mevinphos 7786-34-7|Mevinphos|(2-Methoxycarbonyl-1-methyl-vinyl)-dimethyl-fosfaat|(2-Methoxycarbonyl-1-methyl-vinyl)-dimethyl-phosphat|(2-Metossicarbonil-1-metil-vinil)-dimetil-fosfato|1-Methoxycarbonyl-1-propen-2-yl dimethyl phosphate|2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, methyl ester|2-Carbomethoxy-1-methylvinyl dimethyl phosphate|2-Carbomethoxy-1-propen-2-yl dimethyl phosphate|2-Methoxycarbonyl-1-methylvinyl dimethyl phosphate|3-((Dimethoxyphosphinyl)oxy)-2-butenoic acid methyl ester|3-Hydroxycrotonic acid methyl ester dimethyl phosphate|BRN 1793349|BUT-2-ENOATE, 3-(DIMETHOXYPHOSPHINYLOXY)-, METHYL|Caswell No. 160B|Compound 2046|Crotonic acid, 3-hydroxy-, methyl ester, dimethyl phosphate|Dimethyl (1-methoxycarboxypropen-2-yl)phosphate|Dimethyl 2-methoxycarbonyl-1-methylvinyl phosphate|Dimethyl methoxycarbonylpropenyl phosphate|Dimethyl phosphate of methyl 3-hydroxy-cis-crotonate|Dimethyl-1-carbomethoxy-1-propen-2-yl phosphate|Duraphos|EINECS 232-095-1|EPA Pesticide Chemical Code 015801|Fosdrin|Methyl 3-((dimethoxyphosphinyl)o|243464-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032683
ARPathway2016 ARPathway2016_1563 Mevinphos 7786-34-7 DTXSID2032683 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)C=C(C)OP(=O)(OC)OC Mevinphos 7786-34-7|Mevinphos|(2-Methoxycarbonyl-1-methyl-vinyl)-dimethyl-fosfaat|(2-Methoxycarbonyl-1-methyl-vinyl)-dimethyl-phosphat|(2-Metossicarbonil-1-metil-vinil)-dimetil-fosfato|1-Methoxycarbonyl-1-propen-2-yl dimethyl phosphate|2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, methyl ester|2-Carbomethoxy-1-methylvinyl dimethyl phosphate|2-Carbomethoxy-1-propen-2-yl dimethyl phosphate|2-Methoxycarbonyl-1-methylvinyl dimethyl phosphate|3-((Dimethoxyphosphinyl)oxy)-2-butenoic acid methyl ester|3-Hydroxycrotonic acid methyl ester dimethyl phosphate|BRN 1793349|BUT-2-ENOATE, 3-(DIMETHOXYPHOSPHINYLOXY)-, METHYL|Caswell No. 160B|Compound 2046|Crotonic acid, 3-hydroxy-, methyl ester, dimethyl phosphate|Dimethyl (1-methoxycarboxypropen-2-yl)phosphate|Dimethyl 2-methoxycarbonyl-1-methylvinyl phosphate|Dimethyl methoxycarbonylpropenyl phosphate|Dimethyl phosphate of methyl 3-hydroxy-cis-crotonate|Dimethyl-1-carbomethoxy-1-propen-2-yl phosphate|Duraphos|EINECS 232-095-1|EPA Pesticide Chemical Code 015801|Fosdrin|Methyl 3-((dimethoxyphosphinyl)o|243464-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032683
ARPathway2016 ARPathway2016_1563 Mevinphos 7786-34-7 DTXSID2032683 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)C=C(C)OP(=O)(OC)OC Mevinphos 7786-34-7|Mevinphos|(2-Methoxycarbonyl-1-methyl-vinyl)-dimethyl-fosfaat|(2-Methoxycarbonyl-1-methyl-vinyl)-dimethyl-phosphat|(2-Metossicarbonil-1-metil-vinil)-dimetil-fosfato|1-Methoxycarbonyl-1-propen-2-yl dimethyl phosphate|2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, methyl ester|2-Carbomethoxy-1-methylvinyl dimethyl phosphate|2-Carbomethoxy-1-propen-2-yl dimethyl phosphate|2-Methoxycarbonyl-1-methylvinyl dimethyl phosphate|3-((Dimethoxyphosphinyl)oxy)-2-butenoic acid methyl ester|3-Hydroxycrotonic acid methyl ester dimethyl phosphate|BRN 1793349|BUT-2-ENOATE, 3-(DIMETHOXYPHOSPHINYLOXY)-, METHYL|Caswell No. 160B|Compound 2046|Crotonic acid, 3-hydroxy-, methyl ester, dimethyl phosphate|Dimethyl (1-methoxycarboxypropen-2-yl)phosphate|Dimethyl 2-methoxycarbonyl-1-methylvinyl phosphate|Dimethyl methoxycarbonylpropenyl phosphate|Dimethyl phosphate of methyl 3-hydroxy-cis-crotonate|Dimethyl-1-carbomethoxy-1-propen-2-yl phosphate|Duraphos|EINECS 232-095-1|EPA Pesticide Chemical Code 015801|Fosdrin|Methyl 3-((dimethoxyphosphinyl)o|243464-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032683
ARPathway2016 ARPathway2016_1563 Mevinphos 7786-34-7 DTXSID2032683 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)C=C(C)OP(=O)(OC)OC Mevinphos 7786-34-7|Mevinphos|(2-Methoxycarbonyl-1-methyl-vinyl)-dimethyl-fosfaat|(2-Methoxycarbonyl-1-methyl-vinyl)-dimethyl-phosphat|(2-Metossicarbonil-1-metil-vinil)-dimetil-fosfato|1-Methoxycarbonyl-1-propen-2-yl dimethyl phosphate|2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, methyl ester|2-Carbomethoxy-1-methylvinyl dimethyl phosphate|2-Carbomethoxy-1-propen-2-yl dimethyl phosphate|2-Methoxycarbonyl-1-methylvinyl dimethyl phosphate|3-((Dimethoxyphosphinyl)oxy)-2-butenoic acid methyl ester|3-Hydroxycrotonic acid methyl ester dimethyl phosphate|BRN 1793349|BUT-2-ENOATE, 3-(DIMETHOXYPHOSPHINYLOXY)-, METHYL|Caswell No. 160B|Compound 2046|Crotonic acid, 3-hydroxy-, methyl ester, dimethyl phosphate|Dimethyl (1-methoxycarboxypropen-2-yl)phosphate|Dimethyl 2-methoxycarbonyl-1-methylvinyl phosphate|Dimethyl methoxycarbonylpropenyl phosphate|Dimethyl phosphate of methyl 3-hydroxy-cis-crotonate|Dimethyl-1-carbomethoxy-1-propen-2-yl phosphate|Duraphos|EINECS 232-095-1|EPA Pesticide Chemical Code 015801|Fosdrin|Methyl 3-((dimethoxyphosphinyl)o|243464-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032683
ERPathway2016 ERPathway2016_938 Mevinphos 7786-34-7 DTXSID2032683 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)C=C(C)OP(=O)(OC)OC Mevinphos 7786-34-7|Mevinphos|(2-Methoxycarbonyl-1-methyl-vinyl)-dimethyl-fosfaat|(2-Methoxycarbonyl-1-methyl-vinyl)-dimethyl-phosphat|(2-Metossicarbonil-1-metil-vinil)-dimetil-fosfato|1-Methoxycarbonyl-1-propen-2-yl dimethyl phosphate|2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, methyl ester|2-Carbomethoxy-1-methylvinyl dimethyl phosphate|2-Carbomethoxy-1-propen-2-yl dimethyl phosphate|2-Methoxycarbonyl-1-methylvinyl dimethyl phosphate|3-((Dimethoxyphosphinyl)oxy)-2-butenoic acid methyl ester|3-Hydroxycrotonic acid methyl ester dimethyl phosphate|BRN 1793349|BUT-2-ENOATE, 3-(DIMETHOXYPHOSPHINYLOXY)-, METHYL|Caswell No. 160B|Compound 2046|Crotonic acid, 3-hydroxy-, methyl ester, dimethyl phosphate|Dimethyl (1-methoxycarboxypropen-2-yl)phosphate|Dimethyl 2-methoxycarbonyl-1-methylvinyl phosphate|Dimethyl methoxycarbonylpropenyl phosphate|Dimethyl phosphate of methyl 3-hydroxy-cis-crotonate|Dimethyl-1-carbomethoxy-1-propen-2-yl phosphate|Duraphos|EINECS 232-095-1|EPA Pesticide Chemical Code 015801|Fosdrin|Methyl 3-((dimethoxyphosphinyl)o|243464-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032683
ERPathway2016 ERPathway2016_938 Mevinphos 7786-34-7 DTXSID2032683 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C=C(C)OP(=O)(OC)OC Mevinphos 7786-34-7|Mevinphos|(2-Methoxycarbonyl-1-methyl-vinyl)-dimethyl-fosfaat|(2-Methoxycarbonyl-1-methyl-vinyl)-dimethyl-phosphat|(2-Metossicarbonil-1-metil-vinil)-dimetil-fosfato|1-Methoxycarbonyl-1-propen-2-yl dimethyl phosphate|2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, methyl ester|2-Carbomethoxy-1-methylvinyl dimethyl phosphate|2-Carbomethoxy-1-propen-2-yl dimethyl phosphate|2-Methoxycarbonyl-1-methylvinyl dimethyl phosphate|3-((Dimethoxyphosphinyl)oxy)-2-butenoic acid methyl ester|3-Hydroxycrotonic acid methyl ester dimethyl phosphate|BRN 1793349|BUT-2-ENOATE, 3-(DIMETHOXYPHOSPHINYLOXY)-, METHYL|Caswell No. 160B|Compound 2046|Crotonic acid, 3-hydroxy-, methyl ester, dimethyl phosphate|Dimethyl (1-methoxycarboxypropen-2-yl)phosphate|Dimethyl 2-methoxycarbonyl-1-methylvinyl phosphate|Dimethyl methoxycarbonylpropenyl phosphate|Dimethyl phosphate of methyl 3-hydroxy-cis-crotonate|Dimethyl-1-carbomethoxy-1-propen-2-yl phosphate|Duraphos|EINECS 232-095-1|EPA Pesticide Chemical Code 015801|Fosdrin|Methyl 3-((dimethoxyphosphinyl)o|243464-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032683
ERPathway2016 ERPathway2016_938 Mevinphos 7786-34-7 DTXSID2032683 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)C=C(C)OP(=O)(OC)OC Mevinphos 7786-34-7|Mevinphos|(2-Methoxycarbonyl-1-methyl-vinyl)-dimethyl-fosfaat|(2-Methoxycarbonyl-1-methyl-vinyl)-dimethyl-phosphat|(2-Metossicarbonil-1-metil-vinil)-dimetil-fosfato|1-Methoxycarbonyl-1-propen-2-yl dimethyl phosphate|2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, methyl ester|2-Carbomethoxy-1-methylvinyl dimethyl phosphate|2-Carbomethoxy-1-propen-2-yl dimethyl phosphate|2-Methoxycarbonyl-1-methylvinyl dimethyl phosphate|3-((Dimethoxyphosphinyl)oxy)-2-butenoic acid methyl ester|3-Hydroxycrotonic acid methyl ester dimethyl phosphate|BRN 1793349|BUT-2-ENOATE, 3-(DIMETHOXYPHOSPHINYLOXY)-, METHYL|Caswell No. 160B|Compound 2046|Crotonic acid, 3-hydroxy-, methyl ester, dimethyl phosphate|Dimethyl (1-methoxycarboxypropen-2-yl)phosphate|Dimethyl 2-methoxycarbonyl-1-methylvinyl phosphate|Dimethyl methoxycarbonylpropenyl phosphate|Dimethyl phosphate of methyl 3-hydroxy-cis-crotonate|Dimethyl-1-carbomethoxy-1-propen-2-yl phosphate|Duraphos|EINECS 232-095-1|EPA Pesticide Chemical Code 015801|Fosdrin|Methyl 3-((dimethoxyphosphinyl)o|243464-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032683
ERPathway2016 ERPathway2016_938 Mevinphos 7786-34-7 DTXSID2032683 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)C=C(C)OP(=O)(OC)OC Mevinphos 7786-34-7|Mevinphos|(2-Methoxycarbonyl-1-methyl-vinyl)-dimethyl-fosfaat|(2-Methoxycarbonyl-1-methyl-vinyl)-dimethyl-phosphat|(2-Metossicarbonil-1-metil-vinil)-dimetil-fosfato|1-Methoxycarbonyl-1-propen-2-yl dimethyl phosphate|2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, methyl ester|2-Carbomethoxy-1-methylvinyl dimethyl phosphate|2-Carbomethoxy-1-propen-2-yl dimethyl phosphate|2-Methoxycarbonyl-1-methylvinyl dimethyl phosphate|3-((Dimethoxyphosphinyl)oxy)-2-butenoic acid methyl ester|3-Hydroxycrotonic acid methyl ester dimethyl phosphate|BRN 1793349|BUT-2-ENOATE, 3-(DIMETHOXYPHOSPHINYLOXY)-, METHYL|Caswell No. 160B|Compound 2046|Crotonic acid, 3-hydroxy-, methyl ester, dimethyl phosphate|Dimethyl (1-methoxycarboxypropen-2-yl)phosphate|Dimethyl 2-methoxycarbonyl-1-methylvinyl phosphate|Dimethyl methoxycarbonylpropenyl phosphate|Dimethyl phosphate of methyl 3-hydroxy-cis-crotonate|Dimethyl-1-carbomethoxy-1-propen-2-yl phosphate|Duraphos|EINECS 232-095-1|EPA Pesticide Chemical Code 015801|Fosdrin|Methyl 3-((dimethoxyphosphinyl)o|243464-31-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032683
ARPathway2016 ARPathway2016_298 Mifepristone 84371-65-3 DTXSID5023322 FLAG: Wrong direction shift (Hit/Hit) 2.0 Antagonist AR Pathway Model, Agonist AC50 0.053727393 uM [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@]([H])(C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H] Mifepristone 84371-65-3|Mifepristone|(10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one|(11b,17b)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one|(1S,3aS,3bS,10R,11aS)-10-[4-(Dimethylamino)phenyl]-1-hydroxy-11a-methyl-1-(1-propyn-1-yl)-1,2,3,3a,3b,4,5,8,9,10,11,11a-dodecahydro-7H-cyclopenta[a]phenanthren-7-one|11beta-(4-(Dimethylamino)phenyl)-17-hydroxy-21-methyl-19-nor-17alpha-pregna-4,9-dien-20-m-3-on|11beta-(4-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-on|11beta-(4-(N,N-Dimethylamino)phenyl)-17alpha-(prop-1-ynyl)-delta4,9-estradiene-17beta-ol-3-one|11beta-(p-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|11b-[p-(Dimethylamino)phenyl]-17b-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|17-beta-Hydroxy-11-beta-(4-dimethylaminophenyl-1)-17-alpha-(prop-1-ynyl)oestra-4,9-dien-3-one|17b-Hydroxy-11b-[4-(dimethylamino)-phenyl]-17a-(prop-1-ynyl)-estra-4,9-dien-3-one||122742-25-0|83203-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023322
ARPathway2016 ARPathway2016_298 Mifepristone 84371-65-3 DTXSID5023322 FLAG: Wrong direction shift (Hit/Hit) 2.0 Antagonist AR Pathway Model, Agonist ACC 0.00910174100000001 uM [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@]([H])(C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H] Mifepristone 84371-65-3|Mifepristone|(10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one|(11b,17b)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one|(1S,3aS,3bS,10R,11aS)-10-[4-(Dimethylamino)phenyl]-1-hydroxy-11a-methyl-1-(1-propyn-1-yl)-1,2,3,3a,3b,4,5,8,9,10,11,11a-dodecahydro-7H-cyclopenta[a]phenanthren-7-one|11beta-(4-(Dimethylamino)phenyl)-17-hydroxy-21-methyl-19-nor-17alpha-pregna-4,9-dien-20-m-3-on|11beta-(4-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-on|11beta-(4-(N,N-Dimethylamino)phenyl)-17alpha-(prop-1-ynyl)-delta4,9-estradiene-17beta-ol-3-one|11beta-(p-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|11b-[p-(Dimethylamino)phenyl]-17b-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|17-beta-Hydroxy-11-beta-(4-dimethylaminophenyl-1)-17-alpha-(prop-1-ynyl)oestra-4,9-dien-3-one|17b-Hydroxy-11b-[4-(dimethylamino)-phenyl]-17a-(prop-1-ynyl)-estra-4,9-dien-3-one||122742-25-0|83203-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023322
ARPathway2016 ARPathway2016_298 Mifepristone 84371-65-3 DTXSID5023322 FLAG: Wrong direction shift (Hit/Hit) 2.0 Antagonist AR Pathway Model, Antagonist Model Score 1.21 Unitless [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@]([H])(C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H] Mifepristone 84371-65-3|Mifepristone|(10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one|(11b,17b)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one|(1S,3aS,3bS,10R,11aS)-10-[4-(Dimethylamino)phenyl]-1-hydroxy-11a-methyl-1-(1-propyn-1-yl)-1,2,3,3a,3b,4,5,8,9,10,11,11a-dodecahydro-7H-cyclopenta[a]phenanthren-7-one|11beta-(4-(Dimethylamino)phenyl)-17-hydroxy-21-methyl-19-nor-17alpha-pregna-4,9-dien-20-m-3-on|11beta-(4-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-on|11beta-(4-(N,N-Dimethylamino)phenyl)-17alpha-(prop-1-ynyl)-delta4,9-estradiene-17beta-ol-3-one|11beta-(p-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|11b-[p-(Dimethylamino)phenyl]-17b-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|17-beta-Hydroxy-11-beta-(4-dimethylaminophenyl-1)-17-alpha-(prop-1-ynyl)oestra-4,9-dien-3-one|17b-Hydroxy-11b-[4-(dimethylamino)-phenyl]-17a-(prop-1-ynyl)-estra-4,9-dien-3-one||122742-25-0|83203-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023322
ARPathway2016 ARPathway2016_298 Mifepristone 84371-65-3 DTXSID5023322 FLAG: Wrong direction shift (Hit/Hit) 2.0 Antagonist AR Pathway Model, Agonist Model Score 0.00133 Unitless [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@]([H])(C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H] Mifepristone 84371-65-3|Mifepristone|(10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one|(11b,17b)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one|(1S,3aS,3bS,10R,11aS)-10-[4-(Dimethylamino)phenyl]-1-hydroxy-11a-methyl-1-(1-propyn-1-yl)-1,2,3,3a,3b,4,5,8,9,10,11,11a-dodecahydro-7H-cyclopenta[a]phenanthren-7-one|11beta-(4-(Dimethylamino)phenyl)-17-hydroxy-21-methyl-19-nor-17alpha-pregna-4,9-dien-20-m-3-on|11beta-(4-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-on|11beta-(4-(N,N-Dimethylamino)phenyl)-17alpha-(prop-1-ynyl)-delta4,9-estradiene-17beta-ol-3-one|11beta-(p-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|11b-[p-(Dimethylamino)phenyl]-17b-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|17-beta-Hydroxy-11-beta-(4-dimethylaminophenyl-1)-17-alpha-(prop-1-ynyl)oestra-4,9-dien-3-one|17b-Hydroxy-11b-[4-(dimethylamino)-phenyl]-17a-(prop-1-ynyl)-estra-4,9-dien-3-one||122742-25-0|83203-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023322
ARPathway2016 ARPathway2016_298 Mifepristone 84371-65-3 DTXSID5023322 FLAG: Wrong direction shift (Hit/Hit) 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@]([H])(C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H] Mifepristone 84371-65-3|Mifepristone|(10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one|(11b,17b)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one|(1S,3aS,3bS,10R,11aS)-10-[4-(Dimethylamino)phenyl]-1-hydroxy-11a-methyl-1-(1-propyn-1-yl)-1,2,3,3a,3b,4,5,8,9,10,11,11a-dodecahydro-7H-cyclopenta[a]phenanthren-7-one|11beta-(4-(Dimethylamino)phenyl)-17-hydroxy-21-methyl-19-nor-17alpha-pregna-4,9-dien-20-m-3-on|11beta-(4-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-on|11beta-(4-(N,N-Dimethylamino)phenyl)-17alpha-(prop-1-ynyl)-delta4,9-estradiene-17beta-ol-3-one|11beta-(p-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|11b-[p-(Dimethylamino)phenyl]-17b-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|17-beta-Hydroxy-11-beta-(4-dimethylaminophenyl-1)-17-alpha-(prop-1-ynyl)oestra-4,9-dien-3-one|17b-Hydroxy-11b-[4-(dimethylamino)-phenyl]-17a-(prop-1-ynyl)-estra-4,9-dien-3-one||122742-25-0|83203-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023322
ARPathway2016 ARPathway2016_298 Mifepristone 84371-65-3 DTXSID5023322 FLAG: Wrong direction shift (Hit/Hit) 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@]([H])(C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H] Mifepristone 84371-65-3|Mifepristone|(10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one|(11b,17b)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one|(1S,3aS,3bS,10R,11aS)-10-[4-(Dimethylamino)phenyl]-1-hydroxy-11a-methyl-1-(1-propyn-1-yl)-1,2,3,3a,3b,4,5,8,9,10,11,11a-dodecahydro-7H-cyclopenta[a]phenanthren-7-one|11beta-(4-(Dimethylamino)phenyl)-17-hydroxy-21-methyl-19-nor-17alpha-pregna-4,9-dien-20-m-3-on|11beta-(4-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-on|11beta-(4-(N,N-Dimethylamino)phenyl)-17alpha-(prop-1-ynyl)-delta4,9-estradiene-17beta-ol-3-one|11beta-(p-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|11b-[p-(Dimethylamino)phenyl]-17b-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|17-beta-Hydroxy-11-beta-(4-dimethylaminophenyl-1)-17-alpha-(prop-1-ynyl)oestra-4,9-dien-3-one|17b-Hydroxy-11b-[4-(dimethylamino)-phenyl]-17a-(prop-1-ynyl)-estra-4,9-dien-3-one||122742-25-0|83203-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023322
ERPathway2016 ERPathway2016_48 Mifepristone 84371-65-3 DTXSID5023322 Antagonist ER Pathway Model, Agonist AC50 1.99113161803618 uM [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@]([H])(C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H] Mifepristone 84371-65-3|Mifepristone|(10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one|(11b,17b)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one|(1S,3aS,3bS,10R,11aS)-10-[4-(Dimethylamino)phenyl]-1-hydroxy-11a-methyl-1-(1-propyn-1-yl)-1,2,3,3a,3b,4,5,8,9,10,11,11a-dodecahydro-7H-cyclopenta[a]phenanthren-7-one|11beta-(4-(Dimethylamino)phenyl)-17-hydroxy-21-methyl-19-nor-17alpha-pregna-4,9-dien-20-m-3-on|11beta-(4-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-on|11beta-(4-(N,N-Dimethylamino)phenyl)-17alpha-(prop-1-ynyl)-delta4,9-estradiene-17beta-ol-3-one|11beta-(p-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|11b-[p-(Dimethylamino)phenyl]-17b-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|17-beta-Hydroxy-11-beta-(4-dimethylaminophenyl-1)-17-alpha-(prop-1-ynyl)oestra-4,9-dien-3-one|17b-Hydroxy-11b-[4-(dimethylamino)-phenyl]-17a-(prop-1-ynyl)-estra-4,9-dien-3-one||122742-25-0|83203-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023322
ERPathway2016 ERPathway2016_48 Mifepristone 84371-65-3 DTXSID5023322 Antagonist ER Pathway Model, Agonist ACC 0.764925094018585 uM [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@]([H])(C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H] Mifepristone 84371-65-3|Mifepristone|(10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one|(11b,17b)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one|(1S,3aS,3bS,10R,11aS)-10-[4-(Dimethylamino)phenyl]-1-hydroxy-11a-methyl-1-(1-propyn-1-yl)-1,2,3,3a,3b,4,5,8,9,10,11,11a-dodecahydro-7H-cyclopenta[a]phenanthren-7-one|11beta-(4-(Dimethylamino)phenyl)-17-hydroxy-21-methyl-19-nor-17alpha-pregna-4,9-dien-20-m-3-on|11beta-(4-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-on|11beta-(4-(N,N-Dimethylamino)phenyl)-17alpha-(prop-1-ynyl)-delta4,9-estradiene-17beta-ol-3-one|11beta-(p-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|11b-[p-(Dimethylamino)phenyl]-17b-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|17-beta-Hydroxy-11-beta-(4-dimethylaminophenyl-1)-17-alpha-(prop-1-ynyl)oestra-4,9-dien-3-one|17b-Hydroxy-11b-[4-(dimethylamino)-phenyl]-17a-(prop-1-ynyl)-estra-4,9-dien-3-one||122742-25-0|83203-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023322
ERPathway2016 ERPathway2016_48 Mifepristone 84371-65-3 DTXSID5023322 Antagonist ER Pathway Model, Agonist Model Score 0.00255 Unitless [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@]([H])(C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H] Mifepristone 84371-65-3|Mifepristone|(10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one|(11b,17b)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one|(1S,3aS,3bS,10R,11aS)-10-[4-(Dimethylamino)phenyl]-1-hydroxy-11a-methyl-1-(1-propyn-1-yl)-1,2,3,3a,3b,4,5,8,9,10,11,11a-dodecahydro-7H-cyclopenta[a]phenanthren-7-one|11beta-(4-(Dimethylamino)phenyl)-17-hydroxy-21-methyl-19-nor-17alpha-pregna-4,9-dien-20-m-3-on|11beta-(4-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-on|11beta-(4-(N,N-Dimethylamino)phenyl)-17alpha-(prop-1-ynyl)-delta4,9-estradiene-17beta-ol-3-one|11beta-(p-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|11b-[p-(Dimethylamino)phenyl]-17b-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|17-beta-Hydroxy-11-beta-(4-dimethylaminophenyl-1)-17-alpha-(prop-1-ynyl)oestra-4,9-dien-3-one|17b-Hydroxy-11b-[4-(dimethylamino)-phenyl]-17a-(prop-1-ynyl)-estra-4,9-dien-3-one||122742-25-0|83203-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023322
ERPathway2016 ERPathway2016_48 Mifepristone 84371-65-3 DTXSID5023322 Antagonist ER Pathway Model, Antagonist Model Score 0.308 Unitless [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@]([H])(C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H] Mifepristone 84371-65-3|Mifepristone|(10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one|(11b,17b)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one|(1S,3aS,3bS,10R,11aS)-10-[4-(Dimethylamino)phenyl]-1-hydroxy-11a-methyl-1-(1-propyn-1-yl)-1,2,3,3a,3b,4,5,8,9,10,11,11a-dodecahydro-7H-cyclopenta[a]phenanthren-7-one|11beta-(4-(Dimethylamino)phenyl)-17-hydroxy-21-methyl-19-nor-17alpha-pregna-4,9-dien-20-m-3-on|11beta-(4-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-on|11beta-(4-(N,N-Dimethylamino)phenyl)-17alpha-(prop-1-ynyl)-delta4,9-estradiene-17beta-ol-3-one|11beta-(p-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|11b-[p-(Dimethylamino)phenyl]-17b-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|17-beta-Hydroxy-11-beta-(4-dimethylaminophenyl-1)-17-alpha-(prop-1-ynyl)oestra-4,9-dien-3-one|17b-Hydroxy-11b-[4-(dimethylamino)-phenyl]-17a-(prop-1-ynyl)-estra-4,9-dien-3-one||122742-25-0|83203-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023322
ERPathway2016 ERPathway2016_48 Mifepristone 84371-65-3 DTXSID5023322 Antagonist ER Pathway Model, Agonist Call Active Unitless [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@]([H])(C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H] Mifepristone 84371-65-3|Mifepristone|(10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one|(11b,17b)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one|(1S,3aS,3bS,10R,11aS)-10-[4-(Dimethylamino)phenyl]-1-hydroxy-11a-methyl-1-(1-propyn-1-yl)-1,2,3,3a,3b,4,5,8,9,10,11,11a-dodecahydro-7H-cyclopenta[a]phenanthren-7-one|11beta-(4-(Dimethylamino)phenyl)-17-hydroxy-21-methyl-19-nor-17alpha-pregna-4,9-dien-20-m-3-on|11beta-(4-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-on|11beta-(4-(N,N-Dimethylamino)phenyl)-17alpha-(prop-1-ynyl)-delta4,9-estradiene-17beta-ol-3-one|11beta-(p-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|11b-[p-(Dimethylamino)phenyl]-17b-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|17-beta-Hydroxy-11-beta-(4-dimethylaminophenyl-1)-17-alpha-(prop-1-ynyl)oestra-4,9-dien-3-one|17b-Hydroxy-11b-[4-(dimethylamino)-phenyl]-17a-(prop-1-ynyl)-estra-4,9-dien-3-one||122742-25-0|83203-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023322
ERPathway2016 ERPathway2016_48 Mifepristone 84371-65-3 DTXSID5023322 Antagonist ER Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@]([H])(C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H] Mifepristone 84371-65-3|Mifepristone|(10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one|(11b,17b)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one|(1S,3aS,3bS,10R,11aS)-10-[4-(Dimethylamino)phenyl]-1-hydroxy-11a-methyl-1-(1-propyn-1-yl)-1,2,3,3a,3b,4,5,8,9,10,11,11a-dodecahydro-7H-cyclopenta[a]phenanthren-7-one|11beta-(4-(Dimethylamino)phenyl)-17-hydroxy-21-methyl-19-nor-17alpha-pregna-4,9-dien-20-m-3-on|11beta-(4-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-on|11beta-(4-(N,N-Dimethylamino)phenyl)-17alpha-(prop-1-ynyl)-delta4,9-estradiene-17beta-ol-3-one|11beta-(p-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|11b-[p-(Dimethylamino)phenyl]-17b-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one|17-beta-Hydroxy-11-beta-(4-dimethylaminophenyl-1)-17-alpha-(prop-1-ynyl)oestra-4,9-dien-3-one|17b-Hydroxy-11b-[4-(dimethylamino)-phenyl]-17a-(prop-1-ynyl)-estra-4,9-dien-3-one||122742-25-0|83203-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023322
ARPathway2016 ARPathway2016_327 Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742 DTXSID8034742 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 14.92600911 uM Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742|Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034742
ARPathway2016 ARPathway2016_327 Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742 DTXSID8034742 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 13.95844072 uM Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742|Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034742
ARPathway2016 ARPathway2016_327 Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742 DTXSID8034742 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.27 Unitless Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742|Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034742
ARPathway2016 ARPathway2016_327 Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742 DTXSID8034742 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0.00359 Unitless Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742|Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034742
ARPathway2016 ARPathway2016_327 Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742 DTXSID8034742 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742|Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034742
ARPathway2016 ARPathway2016_327 Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742 DTXSID8034742 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742|Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034742
ERPathway2016 ERPathway2016_575 Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742 DTXSID8034742 ER Pathway Model, Agonist Model Score 0 Unitless Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742|Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034742
ERPathway2016 ERPathway2016_575 Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742 DTXSID8034742 ER Pathway Model, Antagonist Model Score 0 Unitless Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742|Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034742
ERPathway2016 ERPathway2016_575 Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742 DTXSID8034742 ER Pathway Model, Agonist Call Inactive Unitless Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742|Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034742
ERPathway2016 ERPathway2016_575 Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742 DTXSID8034742 ER Pathway Model, Antagonist Call Inactive Unitless Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) NOCAS_34742|Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3) https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034742
ARPathway2016 ARPathway2016_1025 Mirex 2385-85-5 DTXSID7020895 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl Mirex 2385-85-5|Mirex|1,1a,2,2,3,3a,4,5,5,5a,5b,6-DODECACHLOR-OCTAHYDRO-1,3,4-METHENO-1H-CYCLOBUTA( CD)PENTALEN|1,1a,2,2,3,3a,4,5,5,5a,5b,6-Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta(cd)pentalene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene dimer|1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decane|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-, dimer|1,3,4-Metheno-1H-cyclobuta(cd)pentalene, dodecachlorooctahydro-|1,3,4-Metheno-1H-cyclobuta[cd]pentalene, 1,1a,2,2,3,3a,4,5,5,5a,5b,6-dodecachlorooctahydro-|1,3,4-Metheno-1H-cyclobuta[cd]pentalene, dodecachlorooctahydro-|Bichlorendo|Caswell No. 411|CG-1283|Cyclopentadiene, hexachloro-, dimer|Dechlorane|Dechlorane 4070|Dodecachlor|Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta(cd)pentalene|Dodecachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalene|Dodecachloropentacyclo(3.2.2.0(sup 2,6),0(sup 3,9),0(sup 5,10))decane|Dodecachloropentacyclo(5.2.1.0(2,6).0(3,9).0(5,8))decane|dodecachloropentacyclo[5.2.1.02,6.03,9.05,8]decane|Dodecachloropentacyclo[5.3.|12557-88-9|12707-43-6|12766-04-0|20594-49-4|56449-78-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020895 https://doi.org/10.22427/NTP-DATA-DTXSID7020895
ARPathway2016 ARPathway2016_1025 Mirex 2385-85-5 DTXSID7020895 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl Mirex 2385-85-5|Mirex|1,1a,2,2,3,3a,4,5,5,5a,5b,6-DODECACHLOR-OCTAHYDRO-1,3,4-METHENO-1H-CYCLOBUTA( CD)PENTALEN|1,1a,2,2,3,3a,4,5,5,5a,5b,6-Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta(cd)pentalene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene dimer|1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decane|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-, dimer|1,3,4-Metheno-1H-cyclobuta(cd)pentalene, dodecachlorooctahydro-|1,3,4-Metheno-1H-cyclobuta[cd]pentalene, 1,1a,2,2,3,3a,4,5,5,5a,5b,6-dodecachlorooctahydro-|1,3,4-Metheno-1H-cyclobuta[cd]pentalene, dodecachlorooctahydro-|Bichlorendo|Caswell No. 411|CG-1283|Cyclopentadiene, hexachloro-, dimer|Dechlorane|Dechlorane 4070|Dodecachlor|Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta(cd)pentalene|Dodecachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalene|Dodecachloropentacyclo(3.2.2.0(sup 2,6),0(sup 3,9),0(sup 5,10))decane|Dodecachloropentacyclo(5.2.1.0(2,6).0(3,9).0(5,8))decane|dodecachloropentacyclo[5.2.1.02,6.03,9.05,8]decane|Dodecachloropentacyclo[5.3.|12557-88-9|12707-43-6|12766-04-0|20594-49-4|56449-78-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020895 https://doi.org/10.22427/NTP-DATA-DTXSID7020895
ARPathway2016 ARPathway2016_1025 Mirex 2385-85-5 DTXSID7020895 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl Mirex 2385-85-5|Mirex|1,1a,2,2,3,3a,4,5,5,5a,5b,6-DODECACHLOR-OCTAHYDRO-1,3,4-METHENO-1H-CYCLOBUTA( CD)PENTALEN|1,1a,2,2,3,3a,4,5,5,5a,5b,6-Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta(cd)pentalene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene dimer|1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decane|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-, dimer|1,3,4-Metheno-1H-cyclobuta(cd)pentalene, dodecachlorooctahydro-|1,3,4-Metheno-1H-cyclobuta[cd]pentalene, 1,1a,2,2,3,3a,4,5,5,5a,5b,6-dodecachlorooctahydro-|1,3,4-Metheno-1H-cyclobuta[cd]pentalene, dodecachlorooctahydro-|Bichlorendo|Caswell No. 411|CG-1283|Cyclopentadiene, hexachloro-, dimer|Dechlorane|Dechlorane 4070|Dodecachlor|Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta(cd)pentalene|Dodecachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalene|Dodecachloropentacyclo(3.2.2.0(sup 2,6),0(sup 3,9),0(sup 5,10))decane|Dodecachloropentacyclo(5.2.1.0(2,6).0(3,9).0(5,8))decane|dodecachloropentacyclo[5.2.1.02,6.03,9.05,8]decane|Dodecachloropentacyclo[5.3.|12557-88-9|12707-43-6|12766-04-0|20594-49-4|56449-78-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020895 https://doi.org/10.22427/NTP-DATA-DTXSID7020895
ARPathway2016 ARPathway2016_1025 Mirex 2385-85-5 DTXSID7020895 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl Mirex 2385-85-5|Mirex|1,1a,2,2,3,3a,4,5,5,5a,5b,6-DODECACHLOR-OCTAHYDRO-1,3,4-METHENO-1H-CYCLOBUTA( CD)PENTALEN|1,1a,2,2,3,3a,4,5,5,5a,5b,6-Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta(cd)pentalene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene dimer|1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decane|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-, dimer|1,3,4-Metheno-1H-cyclobuta(cd)pentalene, dodecachlorooctahydro-|1,3,4-Metheno-1H-cyclobuta[cd]pentalene, 1,1a,2,2,3,3a,4,5,5,5a,5b,6-dodecachlorooctahydro-|1,3,4-Metheno-1H-cyclobuta[cd]pentalene, dodecachlorooctahydro-|Bichlorendo|Caswell No. 411|CG-1283|Cyclopentadiene, hexachloro-, dimer|Dechlorane|Dechlorane 4070|Dodecachlor|Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta(cd)pentalene|Dodecachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalene|Dodecachloropentacyclo(3.2.2.0(sup 2,6),0(sup 3,9),0(sup 5,10))decane|Dodecachloropentacyclo(5.2.1.0(2,6).0(3,9).0(5,8))decane|dodecachloropentacyclo[5.2.1.02,6.03,9.05,8]decane|Dodecachloropentacyclo[5.3.|12557-88-9|12707-43-6|12766-04-0|20594-49-4|56449-78-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020895 https://doi.org/10.22427/NTP-DATA-DTXSID7020895
ERPathway2016 ERPathway2016_1389 Mirex 2385-85-5 DTXSID7020895 ER Pathway Model, Agonist Model Score 0 Unitless ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl Mirex 2385-85-5|Mirex|1,1a,2,2,3,3a,4,5,5,5a,5b,6-DODECACHLOR-OCTAHYDRO-1,3,4-METHENO-1H-CYCLOBUTA( CD)PENTALEN|1,1a,2,2,3,3a,4,5,5,5a,5b,6-Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta(cd)pentalene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene dimer|1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decane|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-, dimer|1,3,4-Metheno-1H-cyclobuta(cd)pentalene, dodecachlorooctahydro-|1,3,4-Metheno-1H-cyclobuta[cd]pentalene, 1,1a,2,2,3,3a,4,5,5,5a,5b,6-dodecachlorooctahydro-|1,3,4-Metheno-1H-cyclobuta[cd]pentalene, dodecachlorooctahydro-|Bichlorendo|Caswell No. 411|CG-1283|Cyclopentadiene, hexachloro-, dimer|Dechlorane|Dechlorane 4070|Dodecachlor|Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta(cd)pentalene|Dodecachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalene|Dodecachloropentacyclo(3.2.2.0(sup 2,6),0(sup 3,9),0(sup 5,10))decane|Dodecachloropentacyclo(5.2.1.0(2,6).0(3,9).0(5,8))decane|dodecachloropentacyclo[5.2.1.02,6.03,9.05,8]decane|Dodecachloropentacyclo[5.3.|12557-88-9|12707-43-6|12766-04-0|20594-49-4|56449-78-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020895 https://doi.org/10.22427/NTP-DATA-DTXSID7020895
ERPathway2016 ERPathway2016_1389 Mirex 2385-85-5 DTXSID7020895 ER Pathway Model, Antagonist Model Score 0 Unitless ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl Mirex 2385-85-5|Mirex|1,1a,2,2,3,3a,4,5,5,5a,5b,6-DODECACHLOR-OCTAHYDRO-1,3,4-METHENO-1H-CYCLOBUTA( CD)PENTALEN|1,1a,2,2,3,3a,4,5,5,5a,5b,6-Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta(cd)pentalene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene dimer|1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decane|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-, dimer|1,3,4-Metheno-1H-cyclobuta(cd)pentalene, dodecachlorooctahydro-|1,3,4-Metheno-1H-cyclobuta[cd]pentalene, 1,1a,2,2,3,3a,4,5,5,5a,5b,6-dodecachlorooctahydro-|1,3,4-Metheno-1H-cyclobuta[cd]pentalene, dodecachlorooctahydro-|Bichlorendo|Caswell No. 411|CG-1283|Cyclopentadiene, hexachloro-, dimer|Dechlorane|Dechlorane 4070|Dodecachlor|Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta(cd)pentalene|Dodecachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalene|Dodecachloropentacyclo(3.2.2.0(sup 2,6),0(sup 3,9),0(sup 5,10))decane|Dodecachloropentacyclo(5.2.1.0(2,6).0(3,9).0(5,8))decane|dodecachloropentacyclo[5.2.1.02,6.03,9.05,8]decane|Dodecachloropentacyclo[5.3.|12557-88-9|12707-43-6|12766-04-0|20594-49-4|56449-78-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020895 https://doi.org/10.22427/NTP-DATA-DTXSID7020895
ERPathway2016 ERPathway2016_1389 Mirex 2385-85-5 DTXSID7020895 ER Pathway Model, Agonist Call Inactive Unitless ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl Mirex 2385-85-5|Mirex|1,1a,2,2,3,3a,4,5,5,5a,5b,6-DODECACHLOR-OCTAHYDRO-1,3,4-METHENO-1H-CYCLOBUTA( CD)PENTALEN|1,1a,2,2,3,3a,4,5,5,5a,5b,6-Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta(cd)pentalene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene dimer|1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decane|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-, dimer|1,3,4-Metheno-1H-cyclobuta(cd)pentalene, dodecachlorooctahydro-|1,3,4-Metheno-1H-cyclobuta[cd]pentalene, 1,1a,2,2,3,3a,4,5,5,5a,5b,6-dodecachlorooctahydro-|1,3,4-Metheno-1H-cyclobuta[cd]pentalene, dodecachlorooctahydro-|Bichlorendo|Caswell No. 411|CG-1283|Cyclopentadiene, hexachloro-, dimer|Dechlorane|Dechlorane 4070|Dodecachlor|Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta(cd)pentalene|Dodecachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalene|Dodecachloropentacyclo(3.2.2.0(sup 2,6),0(sup 3,9),0(sup 5,10))decane|Dodecachloropentacyclo(5.2.1.0(2,6).0(3,9).0(5,8))decane|dodecachloropentacyclo[5.2.1.02,6.03,9.05,8]decane|Dodecachloropentacyclo[5.3.|12557-88-9|12707-43-6|12766-04-0|20594-49-4|56449-78-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020895 https://doi.org/10.22427/NTP-DATA-DTXSID7020895
ERPathway2016 ERPathway2016_1389 Mirex 2385-85-5 DTXSID7020895 ER Pathway Model, Antagonist Call Inactive Unitless ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl Mirex 2385-85-5|Mirex|1,1a,2,2,3,3a,4,5,5,5a,5b,6-DODECACHLOR-OCTAHYDRO-1,3,4-METHENO-1H-CYCLOBUTA( CD)PENTALEN|1,1a,2,2,3,3a,4,5,5,5a,5b,6-Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta(cd)pentalene|1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene dimer|1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decane|1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-, dimer|1,3,4-Metheno-1H-cyclobuta(cd)pentalene, dodecachlorooctahydro-|1,3,4-Metheno-1H-cyclobuta[cd]pentalene, 1,1a,2,2,3,3a,4,5,5,5a,5b,6-dodecachlorooctahydro-|1,3,4-Metheno-1H-cyclobuta[cd]pentalene, dodecachlorooctahydro-|Bichlorendo|Caswell No. 411|CG-1283|Cyclopentadiene, hexachloro-, dimer|Dechlorane|Dechlorane 4070|Dodecachlor|Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta(cd)pentalene|Dodecachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalene|Dodecachloropentacyclo(3.2.2.0(sup 2,6),0(sup 3,9),0(sup 5,10))decane|Dodecachloropentacyclo(5.2.1.0(2,6).0(3,9).0(5,8))decane|dodecachloropentacyclo[5.2.1.02,6.03,9.05,8]decane|Dodecachloropentacyclo[5.3.|12557-88-9|12707-43-6|12766-04-0|20594-49-4|56449-78-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020895 https://doi.org/10.22427/NTP-DATA-DTXSID7020895
ARPathway2016 ARPathway2016_202 Mitotane 53-19-0 DTXSID9020372 True antagonist shift (Hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 44.30741011 uM ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=C(Cl)C=CC=C1 Mitotane 53-19-0|Mitotane|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2-dichloroethane|1-Chloro-2-(2,2-dichloro-1-(4-chlorophenyl)ethyl)benzene|1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene|1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|1,1-Dichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane|2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane|2-(p-Chlorophenyl)-2-(o-chlorophenyl)-1,1-dichloroethane|2,2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane|2,4'-DDD|2,4'-Dichlorodiphenyldichloroethane|2,4'-Dichlorophenyldichlorethane|Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-|BRN 2056007|Chloditan|Chlodithan|Chlodithane|EINECS 200-166-6|Ethane, 2-(o-chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro-|Khlodithan|Lysodren|Mitotan|mitotano|Mitotanum|NCI-C04933|NSC 38721|o,p-TDE|o,p'-DDD|o,p https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020372 https://doi.org/10.22427/NTP-DATA-DTXSID9020372
ARPathway2016 ARPathway2016_202 Mitotane 53-19-0 DTXSID9020372 True antagonist shift (Hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 37.8394054313939 uM ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=C(Cl)C=CC=C1 Mitotane 53-19-0|Mitotane|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2-dichloroethane|1-Chloro-2-(2,2-dichloro-1-(4-chlorophenyl)ethyl)benzene|1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene|1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|1,1-Dichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane|2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane|2-(p-Chlorophenyl)-2-(o-chlorophenyl)-1,1-dichloroethane|2,2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane|2,4'-DDD|2,4'-Dichlorodiphenyldichloroethane|2,4'-Dichlorophenyldichlorethane|Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-|BRN 2056007|Chloditan|Chlodithan|Chlodithane|EINECS 200-166-6|Ethane, 2-(o-chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro-|Khlodithan|Lysodren|Mitotan|mitotano|Mitotanum|NCI-C04933|NSC 38721|o,p-TDE|o,p'-DDD|o,p https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020372 https://doi.org/10.22427/NTP-DATA-DTXSID9020372
ARPathway2016 ARPathway2016_202 Mitotane 53-19-0 DTXSID9020372 True antagonist shift (Hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0845 Unitless ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=C(Cl)C=CC=C1 Mitotane 53-19-0|Mitotane|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2-dichloroethane|1-Chloro-2-(2,2-dichloro-1-(4-chlorophenyl)ethyl)benzene|1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene|1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|1,1-Dichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane|2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane|2-(p-Chlorophenyl)-2-(o-chlorophenyl)-1,1-dichloroethane|2,2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane|2,4'-DDD|2,4'-Dichlorodiphenyldichloroethane|2,4'-Dichlorophenyldichlorethane|Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-|BRN 2056007|Chloditan|Chlodithan|Chlodithane|EINECS 200-166-6|Ethane, 2-(o-chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro-|Khlodithan|Lysodren|Mitotan|mitotano|Mitotanum|NCI-C04933|NSC 38721|o,p-TDE|o,p'-DDD|o,p https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020372 https://doi.org/10.22427/NTP-DATA-DTXSID9020372
ARPathway2016 ARPathway2016_202 Mitotane 53-19-0 DTXSID9020372 True antagonist shift (Hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=C(Cl)C=CC=C1 Mitotane 53-19-0|Mitotane|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2-dichloroethane|1-Chloro-2-(2,2-dichloro-1-(4-chlorophenyl)ethyl)benzene|1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene|1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|1,1-Dichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane|2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane|2-(p-Chlorophenyl)-2-(o-chlorophenyl)-1,1-dichloroethane|2,2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane|2,4'-DDD|2,4'-Dichlorodiphenyldichloroethane|2,4'-Dichlorophenyldichlorethane|Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-|BRN 2056007|Chloditan|Chlodithan|Chlodithane|EINECS 200-166-6|Ethane, 2-(o-chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro-|Khlodithan|Lysodren|Mitotan|mitotano|Mitotanum|NCI-C04933|NSC 38721|o,p-TDE|o,p'-DDD|o,p https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020372 https://doi.org/10.22427/NTP-DATA-DTXSID9020372
ARPathway2016 ARPathway2016_202 Mitotane 53-19-0 DTXSID9020372 True antagonist shift (Hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=C(Cl)C=CC=C1 Mitotane 53-19-0|Mitotane|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2-dichloroethane|1-Chloro-2-(2,2-dichloro-1-(4-chlorophenyl)ethyl)benzene|1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene|1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|1,1-Dichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane|2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane|2-(p-Chlorophenyl)-2-(o-chlorophenyl)-1,1-dichloroethane|2,2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane|2,4'-DDD|2,4'-Dichlorodiphenyldichloroethane|2,4'-Dichlorophenyldichlorethane|Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-|BRN 2056007|Chloditan|Chlodithan|Chlodithane|EINECS 200-166-6|Ethane, 2-(o-chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro-|Khlodithan|Lysodren|Mitotan|mitotano|Mitotanum|NCI-C04933|NSC 38721|o,p-TDE|o,p'-DDD|o,p https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020372 https://doi.org/10.22427/NTP-DATA-DTXSID9020372
ARPathway2016 ARPathway2016_202 Mitotane 53-19-0 DTXSID9020372 True antagonist shift (Hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=C(Cl)C=CC=C1 Mitotane 53-19-0|Mitotane|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2-dichloroethane|1-Chloro-2-(2,2-dichloro-1-(4-chlorophenyl)ethyl)benzene|1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene|1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|1,1-Dichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane|2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane|2-(p-Chlorophenyl)-2-(o-chlorophenyl)-1,1-dichloroethane|2,2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane|2,4'-DDD|2,4'-Dichlorodiphenyldichloroethane|2,4'-Dichlorophenyldichlorethane|Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-|BRN 2056007|Chloditan|Chlodithan|Chlodithane|EINECS 200-166-6|Ethane, 2-(o-chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro-|Khlodithan|Lysodren|Mitotan|mitotano|Mitotanum|NCI-C04933|NSC 38721|o,p-TDE|o,p'-DDD|o,p https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020372 https://doi.org/10.22427/NTP-DATA-DTXSID9020372
ERPathway2016 ERPathway2016_194 Mitotane 53-19-0 DTXSID9020372 Agonist ER Pathway Model, Antagonist AC50 7.39003064984488 uM ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=C(Cl)C=CC=C1 Mitotane 53-19-0|Mitotane|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2-dichloroethane|1-Chloro-2-(2,2-dichloro-1-(4-chlorophenyl)ethyl)benzene|1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene|1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|1,1-Dichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane|2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane|2-(p-Chlorophenyl)-2-(o-chlorophenyl)-1,1-dichloroethane|2,2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane|2,4'-DDD|2,4'-Dichlorodiphenyldichloroethane|2,4'-Dichlorophenyldichlorethane|Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-|BRN 2056007|Chloditan|Chlodithan|Chlodithane|EINECS 200-166-6|Ethane, 2-(o-chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro-|Khlodithan|Lysodren|Mitotan|mitotano|Mitotanum|NCI-C04933|NSC 38721|o,p-TDE|o,p'-DDD|o,p https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020372 https://doi.org/10.22427/NTP-DATA-DTXSID9020372
ERPathway2016 ERPathway2016_194 Mitotane 53-19-0 DTXSID9020372 Agonist ER Pathway Model, Antagonist ACC 4.959997174511 uM ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=C(Cl)C=CC=C1 Mitotane 53-19-0|Mitotane|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2-dichloroethane|1-Chloro-2-(2,2-dichloro-1-(4-chlorophenyl)ethyl)benzene|1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene|1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|1,1-Dichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane|2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane|2-(p-Chlorophenyl)-2-(o-chlorophenyl)-1,1-dichloroethane|2,2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane|2,4'-DDD|2,4'-Dichlorodiphenyldichloroethane|2,4'-Dichlorophenyldichlorethane|Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-|BRN 2056007|Chloditan|Chlodithan|Chlodithane|EINECS 200-166-6|Ethane, 2-(o-chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro-|Khlodithan|Lysodren|Mitotan|mitotano|Mitotanum|NCI-C04933|NSC 38721|o,p-TDE|o,p'-DDD|o,p https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020372 https://doi.org/10.22427/NTP-DATA-DTXSID9020372
ERPathway2016 ERPathway2016_194 Mitotane 53-19-0 DTXSID9020372 Agonist ER Pathway Model, Agonist Model Score 0.236 Unitless ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=C(Cl)C=CC=C1 Mitotane 53-19-0|Mitotane|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2-dichloroethane|1-Chloro-2-(2,2-dichloro-1-(4-chlorophenyl)ethyl)benzene|1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene|1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|1,1-Dichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane|2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane|2-(p-Chlorophenyl)-2-(o-chlorophenyl)-1,1-dichloroethane|2,2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane|2,4'-DDD|2,4'-Dichlorodiphenyldichloroethane|2,4'-Dichlorophenyldichlorethane|Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-|BRN 2056007|Chloditan|Chlodithan|Chlodithane|EINECS 200-166-6|Ethane, 2-(o-chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro-|Khlodithan|Lysodren|Mitotan|mitotano|Mitotanum|NCI-C04933|NSC 38721|o,p-TDE|o,p'-DDD|o,p https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020372 https://doi.org/10.22427/NTP-DATA-DTXSID9020372
ERPathway2016 ERPathway2016_194 Mitotane 53-19-0 DTXSID9020372 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=C(Cl)C=CC=C1 Mitotane 53-19-0|Mitotane|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2-dichloroethane|1-Chloro-2-(2,2-dichloro-1-(4-chlorophenyl)ethyl)benzene|1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene|1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|1,1-Dichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane|2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane|2-(p-Chlorophenyl)-2-(o-chlorophenyl)-1,1-dichloroethane|2,2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane|2,4'-DDD|2,4'-Dichlorodiphenyldichloroethane|2,4'-Dichlorophenyldichlorethane|Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-|BRN 2056007|Chloditan|Chlodithan|Chlodithane|EINECS 200-166-6|Ethane, 2-(o-chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro-|Khlodithan|Lysodren|Mitotan|mitotano|Mitotanum|NCI-C04933|NSC 38721|o,p-TDE|o,p'-DDD|o,p https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020372 https://doi.org/10.22427/NTP-DATA-DTXSID9020372
ERPathway2016 ERPathway2016_194 Mitotane 53-19-0 DTXSID9020372 Agonist ER Pathway Model, Agonist Call Inactive Unitless ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=C(Cl)C=CC=C1 Mitotane 53-19-0|Mitotane|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2-dichloroethane|1-Chloro-2-(2,2-dichloro-1-(4-chlorophenyl)ethyl)benzene|1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene|1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|1,1-Dichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane|2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane|2-(p-Chlorophenyl)-2-(o-chlorophenyl)-1,1-dichloroethane|2,2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane|2,4'-DDD|2,4'-Dichlorodiphenyldichloroethane|2,4'-Dichlorophenyldichlorethane|Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-|BRN 2056007|Chloditan|Chlodithan|Chlodithane|EINECS 200-166-6|Ethane, 2-(o-chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro-|Khlodithan|Lysodren|Mitotan|mitotano|Mitotanum|NCI-C04933|NSC 38721|o,p-TDE|o,p'-DDD|o,p https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020372 https://doi.org/10.22427/NTP-DATA-DTXSID9020372
ERPathway2016 ERPathway2016_194 Mitotane 53-19-0 DTXSID9020372 Agonist ER Pathway Model, Antagonist Call Active Unitless ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=C(Cl)C=CC=C1 Mitotane 53-19-0|Mitotane|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2-dichloroethane|1-Chloro-2-(2,2-dichloro-1-(4-chlorophenyl)ethyl)benzene|1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene|1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|1,1-Dichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane|2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane|2-(p-Chlorophenyl)-2-(o-chlorophenyl)-1,1-dichloroethane|2,2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane|2,4'-DDD|2,4'-Dichlorodiphenyldichloroethane|2,4'-Dichlorophenyldichlorethane|Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-|BRN 2056007|Chloditan|Chlodithan|Chlodithane|EINECS 200-166-6|Ethane, 2-(o-chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro-|Khlodithan|Lysodren|Mitotan|mitotano|Mitotanum|NCI-C04933|NSC 38721|o,p-TDE|o,p'-DDD|o,p https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020372 https://doi.org/10.22427/NTP-DATA-DTXSID9020372
ARPathway2016 ARPathway2016_1145 MK-547 331623-06-4 DTXSID4047331 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].CCCCC1=NC2=C(C=C1)[C@@H]([C@H]([C@@H]2C1=CC=C(OC)C=C1C[C@H](C)C([O-])=O)C([O-])=O)C1=CC2=C(OCO2)C=C1 MK-547 331623-06-4|MK-547 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047331
ARPathway2016 ARPathway2016_1145 MK-547 331623-06-4 DTXSID4047331 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].CCCCC1=NC2=C(C=C1)[C@@H]([C@H]([C@@H]2C1=CC=C(OC)C=C1C[C@H](C)C([O-])=O)C([O-])=O)C1=CC2=C(OCO2)C=C1 MK-547 331623-06-4|MK-547 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047331
ARPathway2016 ARPathway2016_1145 MK-547 331623-06-4 DTXSID4047331 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].CCCCC1=NC2=C(C=C1)[C@@H]([C@H]([C@@H]2C1=CC=C(OC)C=C1C[C@H](C)C([O-])=O)C([O-])=O)C1=CC2=C(OCO2)C=C1 MK-547 331623-06-4|MK-547 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047331
ARPathway2016 ARPathway2016_1145 MK-547 331623-06-4 DTXSID4047331 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].CCCCC1=NC2=C(C=C1)[C@@H]([C@H]([C@@H]2C1=CC=C(OC)C=C1C[C@H](C)C([O-])=O)C([O-])=O)C1=CC2=C(OCO2)C=C1 MK-547 331623-06-4|MK-547 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047331
ERPathway2016 ERPathway2016_1455 MK-547 331623-06-4 DTXSID4047331 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].CCCCC1=NC2=C(C=C1)[C@@H]([C@H]([C@@H]2C1=CC=C(OC)C=C1C[C@H](C)C([O-])=O)C([O-])=O)C1=CC2=C(OCO2)C=C1 MK-547 331623-06-4|MK-547 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047331
ERPathway2016 ERPathway2016_1455 MK-547 331623-06-4 DTXSID4047331 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].CCCCC1=NC2=C(C=C1)[C@@H]([C@H]([C@@H]2C1=CC=C(OC)C=C1C[C@H](C)C([O-])=O)C([O-])=O)C1=CC2=C(OCO2)C=C1 MK-547 331623-06-4|MK-547 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047331
ERPathway2016 ERPathway2016_1455 MK-547 331623-06-4 DTXSID4047331 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].CCCCC1=NC2=C(C=C1)[C@@H]([C@H]([C@@H]2C1=CC=C(OC)C=C1C[C@H](C)C([O-])=O)C([O-])=O)C1=CC2=C(OCO2)C=C1 MK-547 331623-06-4|MK-547 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047331
ERPathway2016 ERPathway2016_1455 MK-547 331623-06-4 DTXSID4047331 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].CCCCC1=NC2=C(C=C1)[C@@H]([C@H]([C@@H]2C1=CC=C(OC)C=C1C[C@H](C)C([O-])=O)C([O-])=O)C1=CC2=C(OCO2)C=C1 MK-547 331623-06-4|MK-547 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047331
ARPathway2016 ARPathway2016_1134 MK-578 313994-79-5 DTXSID0047327 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCN1N=C(CC2=CC=CC=C2)C=C1C1CCN(C[C@H]2C[C@@H](C[C@@H]2C2=CC=CC(F)=C2)N(C)[C@H](C(C)C)C(O)=O)CC1 MK-578 313994-79-5|MK-578 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047327
ARPathway2016 ARPathway2016_1134 MK-578 313994-79-5 DTXSID0047327 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCN1N=C(CC2=CC=CC=C2)C=C1C1CCN(C[C@H]2C[C@@H](C[C@@H]2C2=CC=CC(F)=C2)N(C)[C@H](C(C)C)C(O)=O)CC1 MK-578 313994-79-5|MK-578 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047327
ARPathway2016 ARPathway2016_1134 MK-578 313994-79-5 DTXSID0047327 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCN1N=C(CC2=CC=CC=C2)C=C1C1CCN(C[C@H]2C[C@@H](C[C@@H]2C2=CC=CC(F)=C2)N(C)[C@H](C(C)C)C(O)=O)CC1 MK-578 313994-79-5|MK-578 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047327
ARPathway2016 ARPathway2016_1134 MK-578 313994-79-5 DTXSID0047327 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCN1N=C(CC2=CC=CC=C2)C=C1C1CCN(C[C@H]2C[C@@H](C[C@@H]2C2=CC=CC(F)=C2)N(C)[C@H](C(C)C)C(O)=O)CC1 MK-578 313994-79-5|MK-578 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047327
ERPathway2016 ERPathway2016_746 MK-578 313994-79-5 DTXSID0047327 A13 ER Pathway Model, Agonist Model Score 0 Unitless CCN1N=C(CC2=CC=CC=C2)C=C1C1CCN(C[C@H]2C[C@@H](C[C@@H]2C2=CC=CC(F)=C2)N(C)[C@H](C(C)C)C(O)=O)CC1 MK-578 313994-79-5|MK-578 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047327
ERPathway2016 ERPathway2016_746 MK-578 313994-79-5 DTXSID0047327 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CCN1N=C(CC2=CC=CC=C2)C=C1C1CCN(C[C@H]2C[C@@H](C[C@@H]2C2=CC=CC(F)=C2)N(C)[C@H](C(C)C)C(O)=O)CC1 MK-578 313994-79-5|MK-578 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047327
ERPathway2016 ERPathway2016_746 MK-578 313994-79-5 DTXSID0047327 A13 ER Pathway Model, Agonist Call Inactive Unitless CCN1N=C(CC2=CC=CC=C2)C=C1C1CCN(C[C@H]2C[C@@H](C[C@@H]2C2=CC=CC(F)=C2)N(C)[C@H](C(C)C)C(O)=O)CC1 MK-578 313994-79-5|MK-578 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047327
ERPathway2016 ERPathway2016_746 MK-578 313994-79-5 DTXSID0047327 A13 ER Pathway Model, Antagonist Call Inactive Unitless CCN1N=C(CC2=CC=CC=C2)C=C1C1CCN(C[C@H]2C[C@@H](C[C@@H]2C2=CC=CC(F)=C2)N(C)[C@H](C(C)C)C(O)=O)CC1 MK-578 313994-79-5|MK-578 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047327
ARPathway2016 ARPathway2016_1644 MK-812 851916-42-2 DTXSID4047335 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CCC([O-])=O.CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCC2=C(C1)C=C(C=N2)C(F)(F)F MK-812 851916-42-2|MK-812 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047335
ARPathway2016 ARPathway2016_1644 MK-812 851916-42-2 DTXSID4047335 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)CCC([O-])=O.CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCC2=C(C1)C=C(C=N2)C(F)(F)F MK-812 851916-42-2|MK-812 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047335
ARPathway2016 ARPathway2016_1644 MK-812 851916-42-2 DTXSID4047335 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)CCC([O-])=O.CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCC2=C(C1)C=C(C=N2)C(F)(F)F MK-812 851916-42-2|MK-812 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047335
ARPathway2016 ARPathway2016_1644 MK-812 851916-42-2 DTXSID4047335 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)CCC([O-])=O.CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCC2=C(C1)C=C(C=N2)C(F)(F)F MK-812 851916-42-2|MK-812 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047335
ERPathway2016 ERPathway2016_1702 MK-812 851916-42-2 DTXSID4047335 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)CCC([O-])=O.CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCC2=C(C1)C=C(C=N2)C(F)(F)F MK-812 851916-42-2|MK-812 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047335
ERPathway2016 ERPathway2016_1702 MK-812 851916-42-2 DTXSID4047335 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CCC([O-])=O.CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCC2=C(C1)C=C(C=N2)C(F)(F)F MK-812 851916-42-2|MK-812 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047335
ERPathway2016 ERPathway2016_1702 MK-812 851916-42-2 DTXSID4047335 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)CCC([O-])=O.CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCC2=C(C1)C=C(C=N2)C(F)(F)F MK-812 851916-42-2|MK-812 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047335
ERPathway2016 ERPathway2016_1702 MK-812 851916-42-2 DTXSID4047335 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)CCC([O-])=O.CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCC2=C(C1)C=C(C=N2)C(F)(F)F MK-812 851916-42-2|MK-812 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047335
ARPathway2016 ARPathway2016_331 MK-968 NOCAS_47334 DTXSID9047334 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 28.1915539401277 uM F[C@@H](CO[C@H]1CC[C@@H](CC1)NC1=C2C=NN=C2N=CN1)C1=CC=CC=C1F MK-968 NOCAS_47334|MK-968 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047334
ARPathway2016 ARPathway2016_331 MK-968 NOCAS_47334 DTXSID9047334 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 17.7030838216711 uM F[C@@H](CO[C@H]1CC[C@@H](CC1)NC1=C2C=NN=C2N=CN1)C1=CC=CC=C1F MK-968 NOCAS_47334|MK-968 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047334
ARPathway2016 ARPathway2016_331 MK-968 NOCAS_47334 DTXSID9047334 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.161 Unitless F[C@@H](CO[C@H]1CC[C@@H](CC1)NC1=C2C=NN=C2N=CN1)C1=CC=CC=C1F MK-968 NOCAS_47334|MK-968 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047334
ARPathway2016 ARPathway2016_331 MK-968 NOCAS_47334 DTXSID9047334 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless F[C@@H](CO[C@H]1CC[C@@H](CC1)NC1=C2C=NN=C2N=CN1)C1=CC=CC=C1F MK-968 NOCAS_47334|MK-968 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047334
ARPathway2016 ARPathway2016_331 MK-968 NOCAS_47334 DTXSID9047334 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless F[C@@H](CO[C@H]1CC[C@@H](CC1)NC1=C2C=NN=C2N=CN1)C1=CC=CC=C1F MK-968 NOCAS_47334|MK-968 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047334
ARPathway2016 ARPathway2016_331 MK-968 NOCAS_47334 DTXSID9047334 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless F[C@@H](CO[C@H]1CC[C@@H](CC1)NC1=C2C=NN=C2N=CN1)C1=CC=CC=C1F MK-968 NOCAS_47334|MK-968 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047334
ERPathway2016 ERPathway2016_94 MK-968 NOCAS_47334 DTXSID9047334 ER Pathway Model, Agonist AC50 33.2265502083793 uM F[C@@H](CO[C@H]1CC[C@@H](CC1)NC1=C2C=NN=C2N=CN1)C1=CC=CC=C1F MK-968 NOCAS_47334|MK-968 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047334
ERPathway2016 ERPathway2016_94 MK-968 NOCAS_47334 DTXSID9047334 ER Pathway Model, Agonist ACC 21.3963958672853 uM F[C@@H](CO[C@H]1CC[C@@H](CC1)NC1=C2C=NN=C2N=CN1)C1=CC=CC=C1F MK-968 NOCAS_47334|MK-968 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047334
ERPathway2016 ERPathway2016_94 MK-968 NOCAS_47334 DTXSID9047334 ER Pathway Model, Agonist Model Score 0 Unitless F[C@@H](CO[C@H]1CC[C@@H](CC1)NC1=C2C=NN=C2N=CN1)C1=CC=CC=C1F MK-968 NOCAS_47334|MK-968 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047334
ERPathway2016 ERPathway2016_94 MK-968 NOCAS_47334 DTXSID9047334 ER Pathway Model, Antagonist Model Score 0.0119 Unitless F[C@@H](CO[C@H]1CC[C@@H](CC1)NC1=C2C=NN=C2N=CN1)C1=CC=CC=C1F MK-968 NOCAS_47334|MK-968 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047334
ERPathway2016 ERPathway2016_94 MK-968 NOCAS_47334 DTXSID9047334 ER Pathway Model, Agonist Call Active Unitless F[C@@H](CO[C@H]1CC[C@@H](CC1)NC1=C2C=NN=C2N=CN1)C1=CC=CC=C1F MK-968 NOCAS_47334|MK-968 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047334
ERPathway2016 ERPathway2016_94 MK-968 NOCAS_47334 DTXSID9047334 ER Pathway Model, Antagonist Call Inactive Unitless F[C@@H](CO[C@H]1CC[C@@H](CC1)NC1=C2C=NN=C2N=CN1)C1=CC=CC=C1F MK-968 NOCAS_47334|MK-968 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047334
ARPathway2016 ARPathway2016_1008 Molinate 2212-67-1 DTXSID6024206 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCSC(=O)N1CCCCCC1 Molinate 2212-67-1|Molinate|1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester|5-20-04-00034|BRN 1239196|Caswell No. 444|EINECS 218-661-0|EPA Pesticide Chemical Code 041402|Ethyl 1-hexamethyleneiminecarbothiolate|Hexahydro-1H-azepin-1-carbothioic acid S-ethyl ester|Higalnate|Malerbane Giavoni L|Molinat|Molinate estrella|molinato|Molmate|Ordram|Perhydroazepin-1-carbothioate|S-Aethyl-N-hexahydro-1H-azepinthiolcarbamat|S-Ethyl 1-hexamethyleneiminothiocarbamate|S-Ethyl azepane-1-carbothioate|S-Ethyl hexahydro-1H-azepine-1-carbothioate|S-Ethyl hexahydroazepine-1-carbothioate|S-Ethyl N,N-hexamethylenethiocarbamate|S-Ethyl perhydroazepin-1-carbothioate|S-Ethyl perhydroazepine-1-thiocarboxylate|S-Ethyl-N-hexamethylenethiocarbamate|S-Ethyl-N,N-hexamethylenethiocarbamate|Sakkimol|Stauffer R 4572|Stauffer R-4,572|UNII-68N5G08DJQ|71373-13-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024206
ARPathway2016 ARPathway2016_1008 Molinate 2212-67-1 DTXSID6024206 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCSC(=O)N1CCCCCC1 Molinate 2212-67-1|Molinate|1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester|5-20-04-00034|BRN 1239196|Caswell No. 444|EINECS 218-661-0|EPA Pesticide Chemical Code 041402|Ethyl 1-hexamethyleneiminecarbothiolate|Hexahydro-1H-azepin-1-carbothioic acid S-ethyl ester|Higalnate|Malerbane Giavoni L|Molinat|Molinate estrella|molinato|Molmate|Ordram|Perhydroazepin-1-carbothioate|S-Aethyl-N-hexahydro-1H-azepinthiolcarbamat|S-Ethyl 1-hexamethyleneiminothiocarbamate|S-Ethyl azepane-1-carbothioate|S-Ethyl hexahydro-1H-azepine-1-carbothioate|S-Ethyl hexahydroazepine-1-carbothioate|S-Ethyl N,N-hexamethylenethiocarbamate|S-Ethyl perhydroazepin-1-carbothioate|S-Ethyl perhydroazepine-1-thiocarboxylate|S-Ethyl-N-hexamethylenethiocarbamate|S-Ethyl-N,N-hexamethylenethiocarbamate|Sakkimol|Stauffer R 4572|Stauffer R-4,572|UNII-68N5G08DJQ|71373-13-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024206
ARPathway2016 ARPathway2016_1008 Molinate 2212-67-1 DTXSID6024206 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCSC(=O)N1CCCCCC1 Molinate 2212-67-1|Molinate|1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester|5-20-04-00034|BRN 1239196|Caswell No. 444|EINECS 218-661-0|EPA Pesticide Chemical Code 041402|Ethyl 1-hexamethyleneiminecarbothiolate|Hexahydro-1H-azepin-1-carbothioic acid S-ethyl ester|Higalnate|Malerbane Giavoni L|Molinat|Molinate estrella|molinato|Molmate|Ordram|Perhydroazepin-1-carbothioate|S-Aethyl-N-hexahydro-1H-azepinthiolcarbamat|S-Ethyl 1-hexamethyleneiminothiocarbamate|S-Ethyl azepane-1-carbothioate|S-Ethyl hexahydro-1H-azepine-1-carbothioate|S-Ethyl hexahydroazepine-1-carbothioate|S-Ethyl N,N-hexamethylenethiocarbamate|S-Ethyl perhydroazepin-1-carbothioate|S-Ethyl perhydroazepine-1-thiocarboxylate|S-Ethyl-N-hexamethylenethiocarbamate|S-Ethyl-N,N-hexamethylenethiocarbamate|Sakkimol|Stauffer R 4572|Stauffer R-4,572|UNII-68N5G08DJQ|71373-13-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024206
ARPathway2016 ARPathway2016_1008 Molinate 2212-67-1 DTXSID6024206 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCSC(=O)N1CCCCCC1 Molinate 2212-67-1|Molinate|1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester|5-20-04-00034|BRN 1239196|Caswell No. 444|EINECS 218-661-0|EPA Pesticide Chemical Code 041402|Ethyl 1-hexamethyleneiminecarbothiolate|Hexahydro-1H-azepin-1-carbothioic acid S-ethyl ester|Higalnate|Malerbane Giavoni L|Molinat|Molinate estrella|molinato|Molmate|Ordram|Perhydroazepin-1-carbothioate|S-Aethyl-N-hexahydro-1H-azepinthiolcarbamat|S-Ethyl 1-hexamethyleneiminothiocarbamate|S-Ethyl azepane-1-carbothioate|S-Ethyl hexahydro-1H-azepine-1-carbothioate|S-Ethyl hexahydroazepine-1-carbothioate|S-Ethyl N,N-hexamethylenethiocarbamate|S-Ethyl perhydroazepin-1-carbothioate|S-Ethyl perhydroazepine-1-thiocarboxylate|S-Ethyl-N-hexamethylenethiocarbamate|S-Ethyl-N,N-hexamethylenethiocarbamate|Sakkimol|Stauffer R 4572|Stauffer R-4,572|UNII-68N5G08DJQ|71373-13-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024206
ERPathway2016 ERPathway2016_1383 Molinate 2212-67-1 DTXSID6024206 ER Pathway Model, Agonist Model Score 0 Unitless CCSC(=O)N1CCCCCC1 Molinate 2212-67-1|Molinate|1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester|5-20-04-00034|BRN 1239196|Caswell No. 444|EINECS 218-661-0|EPA Pesticide Chemical Code 041402|Ethyl 1-hexamethyleneiminecarbothiolate|Hexahydro-1H-azepin-1-carbothioic acid S-ethyl ester|Higalnate|Malerbane Giavoni L|Molinat|Molinate estrella|molinato|Molmate|Ordram|Perhydroazepin-1-carbothioate|S-Aethyl-N-hexahydro-1H-azepinthiolcarbamat|S-Ethyl 1-hexamethyleneiminothiocarbamate|S-Ethyl azepane-1-carbothioate|S-Ethyl hexahydro-1H-azepine-1-carbothioate|S-Ethyl hexahydroazepine-1-carbothioate|S-Ethyl N,N-hexamethylenethiocarbamate|S-Ethyl perhydroazepin-1-carbothioate|S-Ethyl perhydroazepine-1-thiocarboxylate|S-Ethyl-N-hexamethylenethiocarbamate|S-Ethyl-N,N-hexamethylenethiocarbamate|Sakkimol|Stauffer R 4572|Stauffer R-4,572|UNII-68N5G08DJQ|71373-13-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024206
ERPathway2016 ERPathway2016_1383 Molinate 2212-67-1 DTXSID6024206 ER Pathway Model, Antagonist Model Score 0 Unitless CCSC(=O)N1CCCCCC1 Molinate 2212-67-1|Molinate|1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester|5-20-04-00034|BRN 1239196|Caswell No. 444|EINECS 218-661-0|EPA Pesticide Chemical Code 041402|Ethyl 1-hexamethyleneiminecarbothiolate|Hexahydro-1H-azepin-1-carbothioic acid S-ethyl ester|Higalnate|Malerbane Giavoni L|Molinat|Molinate estrella|molinato|Molmate|Ordram|Perhydroazepin-1-carbothioate|S-Aethyl-N-hexahydro-1H-azepinthiolcarbamat|S-Ethyl 1-hexamethyleneiminothiocarbamate|S-Ethyl azepane-1-carbothioate|S-Ethyl hexahydro-1H-azepine-1-carbothioate|S-Ethyl hexahydroazepine-1-carbothioate|S-Ethyl N,N-hexamethylenethiocarbamate|S-Ethyl perhydroazepin-1-carbothioate|S-Ethyl perhydroazepine-1-thiocarboxylate|S-Ethyl-N-hexamethylenethiocarbamate|S-Ethyl-N,N-hexamethylenethiocarbamate|Sakkimol|Stauffer R 4572|Stauffer R-4,572|UNII-68N5G08DJQ|71373-13-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024206
ERPathway2016 ERPathway2016_1383 Molinate 2212-67-1 DTXSID6024206 ER Pathway Model, Agonist Call Inactive Unitless CCSC(=O)N1CCCCCC1 Molinate 2212-67-1|Molinate|1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester|5-20-04-00034|BRN 1239196|Caswell No. 444|EINECS 218-661-0|EPA Pesticide Chemical Code 041402|Ethyl 1-hexamethyleneiminecarbothiolate|Hexahydro-1H-azepin-1-carbothioic acid S-ethyl ester|Higalnate|Malerbane Giavoni L|Molinat|Molinate estrella|molinato|Molmate|Ordram|Perhydroazepin-1-carbothioate|S-Aethyl-N-hexahydro-1H-azepinthiolcarbamat|S-Ethyl 1-hexamethyleneiminothiocarbamate|S-Ethyl azepane-1-carbothioate|S-Ethyl hexahydro-1H-azepine-1-carbothioate|S-Ethyl hexahydroazepine-1-carbothioate|S-Ethyl N,N-hexamethylenethiocarbamate|S-Ethyl perhydroazepin-1-carbothioate|S-Ethyl perhydroazepine-1-thiocarboxylate|S-Ethyl-N-hexamethylenethiocarbamate|S-Ethyl-N,N-hexamethylenethiocarbamate|Sakkimol|Stauffer R 4572|Stauffer R-4,572|UNII-68N5G08DJQ|71373-13-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024206
ERPathway2016 ERPathway2016_1383 Molinate 2212-67-1 DTXSID6024206 ER Pathway Model, Antagonist Call Inactive Unitless CCSC(=O)N1CCCCCC1 Molinate 2212-67-1|Molinate|1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester|5-20-04-00034|BRN 1239196|Caswell No. 444|EINECS 218-661-0|EPA Pesticide Chemical Code 041402|Ethyl 1-hexamethyleneiminecarbothiolate|Hexahydro-1H-azepin-1-carbothioic acid S-ethyl ester|Higalnate|Malerbane Giavoni L|Molinat|Molinate estrella|molinato|Molmate|Ordram|Perhydroazepin-1-carbothioate|S-Aethyl-N-hexahydro-1H-azepinthiolcarbamat|S-Ethyl 1-hexamethyleneiminothiocarbamate|S-Ethyl azepane-1-carbothioate|S-Ethyl hexahydro-1H-azepine-1-carbothioate|S-Ethyl hexahydroazepine-1-carbothioate|S-Ethyl N,N-hexamethylenethiocarbamate|S-Ethyl perhydroazepin-1-carbothioate|S-Ethyl perhydroazepine-1-thiocarboxylate|S-Ethyl-N-hexamethylenethiocarbamate|S-Ethyl-N,N-hexamethylenethiocarbamate|Sakkimol|Stauffer R 4572|Stauffer R-4,572|UNII-68N5G08DJQ|71373-13-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024206
ARPathway2016 ARPathway2016_1511 MON-4660 71526-07-3 DTXSID0044575 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC(Cl)C(=O)N1CCOC11CCCCC1 MON-4660 71526-07-3|MON-4660|1-Oxa-4-azaspiro[4.5]decane, 4-(dichloroacetyl)-|2,2-Dichloro-1-(1-oxa-4-azaspiro[4.5]dec-4-yl)ethanone|4-(Dichloroacetyl)-1-oxa-4-azaspiro(4.5)decane|AD-67|AD-67 Antidote|UNII-8N0LX6A687|77430-44-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044575
ARPathway2016 ARPathway2016_1511 MON-4660 71526-07-3 DTXSID0044575 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)C(=O)N1CCOC11CCCCC1 MON-4660 71526-07-3|MON-4660|1-Oxa-4-azaspiro[4.5]decane, 4-(dichloroacetyl)-|2,2-Dichloro-1-(1-oxa-4-azaspiro[4.5]dec-4-yl)ethanone|4-(Dichloroacetyl)-1-oxa-4-azaspiro(4.5)decane|AD-67|AD-67 Antidote|UNII-8N0LX6A687|77430-44-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044575
ARPathway2016 ARPathway2016_1511 MON-4660 71526-07-3 DTXSID0044575 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC(Cl)C(=O)N1CCOC11CCCCC1 MON-4660 71526-07-3|MON-4660|1-Oxa-4-azaspiro[4.5]decane, 4-(dichloroacetyl)-|2,2-Dichloro-1-(1-oxa-4-azaspiro[4.5]dec-4-yl)ethanone|4-(Dichloroacetyl)-1-oxa-4-azaspiro(4.5)decane|AD-67|AD-67 Antidote|UNII-8N0LX6A687|77430-44-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044575
ARPathway2016 ARPathway2016_1511 MON-4660 71526-07-3 DTXSID0044575 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)C(=O)N1CCOC11CCCCC1 MON-4660 71526-07-3|MON-4660|1-Oxa-4-azaspiro[4.5]decane, 4-(dichloroacetyl)-|2,2-Dichloro-1-(1-oxa-4-azaspiro[4.5]dec-4-yl)ethanone|4-(Dichloroacetyl)-1-oxa-4-azaspiro(4.5)decane|AD-67|AD-67 Antidote|UNII-8N0LX6A687|77430-44-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044575
ERPathway2016 ERPathway2016_1626 MON-4660 71526-07-3 DTXSID0044575 ER Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)C(=O)N1CCOC11CCCCC1 MON-4660 71526-07-3|MON-4660|1-Oxa-4-azaspiro[4.5]decane, 4-(dichloroacetyl)-|2,2-Dichloro-1-(1-oxa-4-azaspiro[4.5]dec-4-yl)ethanone|4-(Dichloroacetyl)-1-oxa-4-azaspiro(4.5)decane|AD-67|AD-67 Antidote|UNII-8N0LX6A687|77430-44-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044575
ERPathway2016 ERPathway2016_1626 MON-4660 71526-07-3 DTXSID0044575 ER Pathway Model, Antagonist Model Score 0 Unitless ClC(Cl)C(=O)N1CCOC11CCCCC1 MON-4660 71526-07-3|MON-4660|1-Oxa-4-azaspiro[4.5]decane, 4-(dichloroacetyl)-|2,2-Dichloro-1-(1-oxa-4-azaspiro[4.5]dec-4-yl)ethanone|4-(Dichloroacetyl)-1-oxa-4-azaspiro(4.5)decane|AD-67|AD-67 Antidote|UNII-8N0LX6A687|77430-44-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044575
ERPathway2016 ERPathway2016_1626 MON-4660 71526-07-3 DTXSID0044575 ER Pathway Model, Agonist Call Inactive Unitless ClC(Cl)C(=O)N1CCOC11CCCCC1 MON-4660 71526-07-3|MON-4660|1-Oxa-4-azaspiro[4.5]decane, 4-(dichloroacetyl)-|2,2-Dichloro-1-(1-oxa-4-azaspiro[4.5]dec-4-yl)ethanone|4-(Dichloroacetyl)-1-oxa-4-azaspiro(4.5)decane|AD-67|AD-67 Antidote|UNII-8N0LX6A687|77430-44-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044575
ERPathway2016 ERPathway2016_1626 MON-4660 71526-07-3 DTXSID0044575 ER Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)C(=O)N1CCOC11CCCCC1 MON-4660 71526-07-3|MON-4660|1-Oxa-4-azaspiro[4.5]decane, 4-(dichloroacetyl)-|2,2-Dichloro-1-(1-oxa-4-azaspiro[4.5]dec-4-yl)ethanone|4-(Dichloroacetyl)-1-oxa-4-azaspiro(4.5)decane|AD-67|AD-67 Antidote|UNII-8N0LX6A687|77430-44-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0044575
ARPathway2016 ARPathway2016_1207 Mono(2-ethylhexyl) phthalate 4376-20-9 DTXSID2025680 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=CC=CC=C1C(O)=O Mono(2-ethylhexyl) phthalate 4376-20-9|Mono(2-ethylhexyl) phthalate|(2-ethylhexyl) hydrogen phthalate|1,2-benzenedicarboxylic acid, mono(2-ethylhexyl) ester|1,2-Benzenedicarboxylicacid,mono(2-ethylhexyl)ester|2-([(2-ethylhexyl)oxy]carbonyl)benzoic acid|2-{[(2-ethylhexyl)oxy]carbonyl}benzoic acid|2-Ethylhexyl hydrogen phthalate|EINECS 224-477-1|MEHP|mono-(2-ethylhexyl)phthalate|mono-2-ethylhexyl phthalate|Mono-ethylhexyl|Mono-ethylhexylphthalate|mono(2-ethylhexyl)phthalate|Monoethylhexyl phthalate|Monoethylhexyl phthalate (mEHP)|Monoethylhexylphthalate|MONOOCTYL PHTHALATE|Phthalate, mono(2-ethylhexyl)|Phthalic acid 1-hydrogen 2-(2-ethylhexyl) ester|Phthalic acid hydrogen 1-(2-ethylhexyl) ester|PHTHALIC ACID MONO-2-ETHYLHEXYL ESTER|PHTHALIC ACID MONOOCTYL ESTER|phthalic acid, 2-ethylhexyl ester|Phthalicacid,2-ethylhexylester|PHTHALICACIDMONO-2-ETHYLEXYLESTER|PHTHALICACIDMONOETHYLHEXYL|Phthalicacidmonoethylhexylester|143451-17-6|2562357-53-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025680 https://doi.org/10.22427/NTP-DATA-DTXSID2025680
ARPathway2016 ARPathway2016_1207 Mono(2-ethylhexyl) phthalate 4376-20-9 DTXSID2025680 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=CC=CC=C1C(O)=O Mono(2-ethylhexyl) phthalate 4376-20-9|Mono(2-ethylhexyl) phthalate|(2-ethylhexyl) hydrogen phthalate|1,2-benzenedicarboxylic acid, mono(2-ethylhexyl) ester|1,2-Benzenedicarboxylicacid,mono(2-ethylhexyl)ester|2-([(2-ethylhexyl)oxy]carbonyl)benzoic acid|2-{[(2-ethylhexyl)oxy]carbonyl}benzoic acid|2-Ethylhexyl hydrogen phthalate|EINECS 224-477-1|MEHP|mono-(2-ethylhexyl)phthalate|mono-2-ethylhexyl phthalate|Mono-ethylhexyl|Mono-ethylhexylphthalate|mono(2-ethylhexyl)phthalate|Monoethylhexyl phthalate|Monoethylhexyl phthalate (mEHP)|Monoethylhexylphthalate|MONOOCTYL PHTHALATE|Phthalate, mono(2-ethylhexyl)|Phthalic acid 1-hydrogen 2-(2-ethylhexyl) ester|Phthalic acid hydrogen 1-(2-ethylhexyl) ester|PHTHALIC ACID MONO-2-ETHYLHEXYL ESTER|PHTHALIC ACID MONOOCTYL ESTER|phthalic acid, 2-ethylhexyl ester|Phthalicacid,2-ethylhexylester|PHTHALICACIDMONO-2-ETHYLEXYLESTER|PHTHALICACIDMONOETHYLHEXYL|Phthalicacidmonoethylhexylester|143451-17-6|2562357-53-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025680 https://doi.org/10.22427/NTP-DATA-DTXSID2025680
ARPathway2016 ARPathway2016_1207 Mono(2-ethylhexyl) phthalate 4376-20-9 DTXSID2025680 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=CC=CC=C1C(O)=O Mono(2-ethylhexyl) phthalate 4376-20-9|Mono(2-ethylhexyl) phthalate|(2-ethylhexyl) hydrogen phthalate|1,2-benzenedicarboxylic acid, mono(2-ethylhexyl) ester|1,2-Benzenedicarboxylicacid,mono(2-ethylhexyl)ester|2-([(2-ethylhexyl)oxy]carbonyl)benzoic acid|2-{[(2-ethylhexyl)oxy]carbonyl}benzoic acid|2-Ethylhexyl hydrogen phthalate|EINECS 224-477-1|MEHP|mono-(2-ethylhexyl)phthalate|mono-2-ethylhexyl phthalate|Mono-ethylhexyl|Mono-ethylhexylphthalate|mono(2-ethylhexyl)phthalate|Monoethylhexyl phthalate|Monoethylhexyl phthalate (mEHP)|Monoethylhexylphthalate|MONOOCTYL PHTHALATE|Phthalate, mono(2-ethylhexyl)|Phthalic acid 1-hydrogen 2-(2-ethylhexyl) ester|Phthalic acid hydrogen 1-(2-ethylhexyl) ester|PHTHALIC ACID MONO-2-ETHYLHEXYL ESTER|PHTHALIC ACID MONOOCTYL ESTER|phthalic acid, 2-ethylhexyl ester|Phthalicacid,2-ethylhexylester|PHTHALICACIDMONO-2-ETHYLEXYLESTER|PHTHALICACIDMONOETHYLHEXYL|Phthalicacidmonoethylhexylester|143451-17-6|2562357-53-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025680 https://doi.org/10.22427/NTP-DATA-DTXSID2025680
ARPathway2016 ARPathway2016_1207 Mono(2-ethylhexyl) phthalate 4376-20-9 DTXSID2025680 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=CC=CC=C1C(O)=O Mono(2-ethylhexyl) phthalate 4376-20-9|Mono(2-ethylhexyl) phthalate|(2-ethylhexyl) hydrogen phthalate|1,2-benzenedicarboxylic acid, mono(2-ethylhexyl) ester|1,2-Benzenedicarboxylicacid,mono(2-ethylhexyl)ester|2-([(2-ethylhexyl)oxy]carbonyl)benzoic acid|2-{[(2-ethylhexyl)oxy]carbonyl}benzoic acid|2-Ethylhexyl hydrogen phthalate|EINECS 224-477-1|MEHP|mono-(2-ethylhexyl)phthalate|mono-2-ethylhexyl phthalate|Mono-ethylhexyl|Mono-ethylhexylphthalate|mono(2-ethylhexyl)phthalate|Monoethylhexyl phthalate|Monoethylhexyl phthalate (mEHP)|Monoethylhexylphthalate|MONOOCTYL PHTHALATE|Phthalate, mono(2-ethylhexyl)|Phthalic acid 1-hydrogen 2-(2-ethylhexyl) ester|Phthalic acid hydrogen 1-(2-ethylhexyl) ester|PHTHALIC ACID MONO-2-ETHYLHEXYL ESTER|PHTHALIC ACID MONOOCTYL ESTER|phthalic acid, 2-ethylhexyl ester|Phthalicacid,2-ethylhexylester|PHTHALICACIDMONO-2-ETHYLEXYLESTER|PHTHALICACIDMONOETHYLHEXYL|Phthalicacidmonoethylhexylester|143451-17-6|2562357-53-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025680 https://doi.org/10.22427/NTP-DATA-DTXSID2025680
ERPathway2016 ERPathway2016_685 Mono(2-ethylhexyl) phthalate 4376-20-9 DTXSID2025680 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=CC=CC=C1C(O)=O Mono(2-ethylhexyl) phthalate 4376-20-9|Mono(2-ethylhexyl) phthalate|(2-ethylhexyl) hydrogen phthalate|1,2-benzenedicarboxylic acid, mono(2-ethylhexyl) ester|1,2-Benzenedicarboxylicacid,mono(2-ethylhexyl)ester|2-([(2-ethylhexyl)oxy]carbonyl)benzoic acid|2-{[(2-ethylhexyl)oxy]carbonyl}benzoic acid|2-Ethylhexyl hydrogen phthalate|EINECS 224-477-1|MEHP|mono-(2-ethylhexyl)phthalate|mono-2-ethylhexyl phthalate|Mono-ethylhexyl|Mono-ethylhexylphthalate|mono(2-ethylhexyl)phthalate|Monoethylhexyl phthalate|Monoethylhexyl phthalate (mEHP)|Monoethylhexylphthalate|MONOOCTYL PHTHALATE|Phthalate, mono(2-ethylhexyl)|Phthalic acid 1-hydrogen 2-(2-ethylhexyl) ester|Phthalic acid hydrogen 1-(2-ethylhexyl) ester|PHTHALIC ACID MONO-2-ETHYLHEXYL ESTER|PHTHALIC ACID MONOOCTYL ESTER|phthalic acid, 2-ethylhexyl ester|Phthalicacid,2-ethylhexylester|PHTHALICACIDMONO-2-ETHYLEXYLESTER|PHTHALICACIDMONOETHYLHEXYL|Phthalicacidmonoethylhexylester|143451-17-6|2562357-53-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025680 https://doi.org/10.22427/NTP-DATA-DTXSID2025680
ERPathway2016 ERPathway2016_685 Mono(2-ethylhexyl) phthalate 4376-20-9 DTXSID2025680 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=CC=CC=C1C(O)=O Mono(2-ethylhexyl) phthalate 4376-20-9|Mono(2-ethylhexyl) phthalate|(2-ethylhexyl) hydrogen phthalate|1,2-benzenedicarboxylic acid, mono(2-ethylhexyl) ester|1,2-Benzenedicarboxylicacid,mono(2-ethylhexyl)ester|2-([(2-ethylhexyl)oxy]carbonyl)benzoic acid|2-{[(2-ethylhexyl)oxy]carbonyl}benzoic acid|2-Ethylhexyl hydrogen phthalate|EINECS 224-477-1|MEHP|mono-(2-ethylhexyl)phthalate|mono-2-ethylhexyl phthalate|Mono-ethylhexyl|Mono-ethylhexylphthalate|mono(2-ethylhexyl)phthalate|Monoethylhexyl phthalate|Monoethylhexyl phthalate (mEHP)|Monoethylhexylphthalate|MONOOCTYL PHTHALATE|Phthalate, mono(2-ethylhexyl)|Phthalic acid 1-hydrogen 2-(2-ethylhexyl) ester|Phthalic acid hydrogen 1-(2-ethylhexyl) ester|PHTHALIC ACID MONO-2-ETHYLHEXYL ESTER|PHTHALIC ACID MONOOCTYL ESTER|phthalic acid, 2-ethylhexyl ester|Phthalicacid,2-ethylhexylester|PHTHALICACIDMONO-2-ETHYLEXYLESTER|PHTHALICACIDMONOETHYLHEXYL|Phthalicacidmonoethylhexylester|143451-17-6|2562357-53-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025680 https://doi.org/10.22427/NTP-DATA-DTXSID2025680
ERPathway2016 ERPathway2016_685 Mono(2-ethylhexyl) phthalate 4376-20-9 DTXSID2025680 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=CC=CC=C1C(O)=O Mono(2-ethylhexyl) phthalate 4376-20-9|Mono(2-ethylhexyl) phthalate|(2-ethylhexyl) hydrogen phthalate|1,2-benzenedicarboxylic acid, mono(2-ethylhexyl) ester|1,2-Benzenedicarboxylicacid,mono(2-ethylhexyl)ester|2-([(2-ethylhexyl)oxy]carbonyl)benzoic acid|2-{[(2-ethylhexyl)oxy]carbonyl}benzoic acid|2-Ethylhexyl hydrogen phthalate|EINECS 224-477-1|MEHP|mono-(2-ethylhexyl)phthalate|mono-2-ethylhexyl phthalate|Mono-ethylhexyl|Mono-ethylhexylphthalate|mono(2-ethylhexyl)phthalate|Monoethylhexyl phthalate|Monoethylhexyl phthalate (mEHP)|Monoethylhexylphthalate|MONOOCTYL PHTHALATE|Phthalate, mono(2-ethylhexyl)|Phthalic acid 1-hydrogen 2-(2-ethylhexyl) ester|Phthalic acid hydrogen 1-(2-ethylhexyl) ester|PHTHALIC ACID MONO-2-ETHYLHEXYL ESTER|PHTHALIC ACID MONOOCTYL ESTER|phthalic acid, 2-ethylhexyl ester|Phthalicacid,2-ethylhexylester|PHTHALICACIDMONO-2-ETHYLEXYLESTER|PHTHALICACIDMONOETHYLHEXYL|Phthalicacidmonoethylhexylester|143451-17-6|2562357-53-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025680 https://doi.org/10.22427/NTP-DATA-DTXSID2025680
ERPathway2016 ERPathway2016_685 Mono(2-ethylhexyl) phthalate 4376-20-9 DTXSID2025680 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=CC=CC=C1C(O)=O Mono(2-ethylhexyl) phthalate 4376-20-9|Mono(2-ethylhexyl) phthalate|(2-ethylhexyl) hydrogen phthalate|1,2-benzenedicarboxylic acid, mono(2-ethylhexyl) ester|1,2-Benzenedicarboxylicacid,mono(2-ethylhexyl)ester|2-([(2-ethylhexyl)oxy]carbonyl)benzoic acid|2-{[(2-ethylhexyl)oxy]carbonyl}benzoic acid|2-Ethylhexyl hydrogen phthalate|EINECS 224-477-1|MEHP|mono-(2-ethylhexyl)phthalate|mono-2-ethylhexyl phthalate|Mono-ethylhexyl|Mono-ethylhexylphthalate|mono(2-ethylhexyl)phthalate|Monoethylhexyl phthalate|Monoethylhexyl phthalate (mEHP)|Monoethylhexylphthalate|MONOOCTYL PHTHALATE|Phthalate, mono(2-ethylhexyl)|Phthalic acid 1-hydrogen 2-(2-ethylhexyl) ester|Phthalic acid hydrogen 1-(2-ethylhexyl) ester|PHTHALIC ACID MONO-2-ETHYLHEXYL ESTER|PHTHALIC ACID MONOOCTYL ESTER|phthalic acid, 2-ethylhexyl ester|Phthalicacid,2-ethylhexylester|PHTHALICACIDMONO-2-ETHYLEXYLESTER|PHTHALICACIDMONOETHYLHEXYL|Phthalicacidmonoethylhexylester|143451-17-6|2562357-53-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025680 https://doi.org/10.22427/NTP-DATA-DTXSID2025680
ARPathway2016 ARPathway2016_1050 Monobenzyl phthalate 2528-16-7 DTXSID9043938 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Monobenzyl phthalate 2528-16-7|Monobenzyl phthalate|1,2-benzenedicarboxylic acid, mono(phenylmethyl) ester|219-771-1|benzene-1,2-dicarboxylic acid, mono(phenylmethyl) ester|benzene-1,2-dicarboxylic acid, monobenzyl ester|benzyl hydrogen phthalate|EC No.: 219-771-1|EINECS 219-771-1|MBeP|MBzP|mono-benzyl phthalate|Mono-n-benzyl phthalate|Mono(phenylmethyl) 1,2-benzenedicarboxylate|NSC 402008|o-(benzyloxycarbonyl)benzoic acid|Phthalic acid, benzyl ester|UNII-27NM8BNV1K https://comptox.epa.gov/dashboard/chemical/details/DTXSID9043938
ARPathway2016 ARPathway2016_1050 Monobenzyl phthalate 2528-16-7 DTXSID9043938 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Monobenzyl phthalate 2528-16-7|Monobenzyl phthalate|1,2-benzenedicarboxylic acid, mono(phenylmethyl) ester|219-771-1|benzene-1,2-dicarboxylic acid, mono(phenylmethyl) ester|benzene-1,2-dicarboxylic acid, monobenzyl ester|benzyl hydrogen phthalate|EC No.: 219-771-1|EINECS 219-771-1|MBeP|MBzP|mono-benzyl phthalate|Mono-n-benzyl phthalate|Mono(phenylmethyl) 1,2-benzenedicarboxylate|NSC 402008|o-(benzyloxycarbonyl)benzoic acid|Phthalic acid, benzyl ester|UNII-27NM8BNV1K https://comptox.epa.gov/dashboard/chemical/details/DTXSID9043938
ARPathway2016 ARPathway2016_1050 Monobenzyl phthalate 2528-16-7 DTXSID9043938 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Monobenzyl phthalate 2528-16-7|Monobenzyl phthalate|1,2-benzenedicarboxylic acid, mono(phenylmethyl) ester|219-771-1|benzene-1,2-dicarboxylic acid, mono(phenylmethyl) ester|benzene-1,2-dicarboxylic acid, monobenzyl ester|benzyl hydrogen phthalate|EC No.: 219-771-1|EINECS 219-771-1|MBeP|MBzP|mono-benzyl phthalate|Mono-n-benzyl phthalate|Mono(phenylmethyl) 1,2-benzenedicarboxylate|NSC 402008|o-(benzyloxycarbonyl)benzoic acid|Phthalic acid, benzyl ester|UNII-27NM8BNV1K https://comptox.epa.gov/dashboard/chemical/details/DTXSID9043938
ARPathway2016 ARPathway2016_1050 Monobenzyl phthalate 2528-16-7 DTXSID9043938 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Monobenzyl phthalate 2528-16-7|Monobenzyl phthalate|1,2-benzenedicarboxylic acid, mono(phenylmethyl) ester|219-771-1|benzene-1,2-dicarboxylic acid, mono(phenylmethyl) ester|benzene-1,2-dicarboxylic acid, monobenzyl ester|benzyl hydrogen phthalate|EC No.: 219-771-1|EINECS 219-771-1|MBeP|MBzP|mono-benzyl phthalate|Mono-n-benzyl phthalate|Mono(phenylmethyl) 1,2-benzenedicarboxylate|NSC 402008|o-(benzyloxycarbonyl)benzoic acid|Phthalic acid, benzyl ester|UNII-27NM8BNV1K https://comptox.epa.gov/dashboard/chemical/details/DTXSID9043938
ERPathway2016 ERPathway2016_1402 Monobenzyl phthalate 2528-16-7 DTXSID9043938 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Monobenzyl phthalate 2528-16-7|Monobenzyl phthalate|1,2-benzenedicarboxylic acid, mono(phenylmethyl) ester|219-771-1|benzene-1,2-dicarboxylic acid, mono(phenylmethyl) ester|benzene-1,2-dicarboxylic acid, monobenzyl ester|benzyl hydrogen phthalate|EC No.: 219-771-1|EINECS 219-771-1|MBeP|MBzP|mono-benzyl phthalate|Mono-n-benzyl phthalate|Mono(phenylmethyl) 1,2-benzenedicarboxylate|NSC 402008|o-(benzyloxycarbonyl)benzoic acid|Phthalic acid, benzyl ester|UNII-27NM8BNV1K https://comptox.epa.gov/dashboard/chemical/details/DTXSID9043938
ERPathway2016 ERPathway2016_1402 Monobenzyl phthalate 2528-16-7 DTXSID9043938 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Monobenzyl phthalate 2528-16-7|Monobenzyl phthalate|1,2-benzenedicarboxylic acid, mono(phenylmethyl) ester|219-771-1|benzene-1,2-dicarboxylic acid, mono(phenylmethyl) ester|benzene-1,2-dicarboxylic acid, monobenzyl ester|benzyl hydrogen phthalate|EC No.: 219-771-1|EINECS 219-771-1|MBeP|MBzP|mono-benzyl phthalate|Mono-n-benzyl phthalate|Mono(phenylmethyl) 1,2-benzenedicarboxylate|NSC 402008|o-(benzyloxycarbonyl)benzoic acid|Phthalic acid, benzyl ester|UNII-27NM8BNV1K https://comptox.epa.gov/dashboard/chemical/details/DTXSID9043938
ERPathway2016 ERPathway2016_1402 Monobenzyl phthalate 2528-16-7 DTXSID9043938 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Monobenzyl phthalate 2528-16-7|Monobenzyl phthalate|1,2-benzenedicarboxylic acid, mono(phenylmethyl) ester|219-771-1|benzene-1,2-dicarboxylic acid, mono(phenylmethyl) ester|benzene-1,2-dicarboxylic acid, monobenzyl ester|benzyl hydrogen phthalate|EC No.: 219-771-1|EINECS 219-771-1|MBeP|MBzP|mono-benzyl phthalate|Mono-n-benzyl phthalate|Mono(phenylmethyl) 1,2-benzenedicarboxylate|NSC 402008|o-(benzyloxycarbonyl)benzoic acid|Phthalic acid, benzyl ester|UNII-27NM8BNV1K https://comptox.epa.gov/dashboard/chemical/details/DTXSID9043938
ERPathway2016 ERPathway2016_1402 Monobenzyl phthalate 2528-16-7 DTXSID9043938 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1 Monobenzyl phthalate 2528-16-7|Monobenzyl phthalate|1,2-benzenedicarboxylic acid, mono(phenylmethyl) ester|219-771-1|benzene-1,2-dicarboxylic acid, mono(phenylmethyl) ester|benzene-1,2-dicarboxylic acid, monobenzyl ester|benzyl hydrogen phthalate|EC No.: 219-771-1|EINECS 219-771-1|MBeP|MBzP|mono-benzyl phthalate|Mono-n-benzyl phthalate|Mono(phenylmethyl) 1,2-benzenedicarboxylate|NSC 402008|o-(benzyloxycarbonyl)benzoic acid|Phthalic acid, benzyl ester|UNII-27NM8BNV1K https://comptox.epa.gov/dashboard/chemical/details/DTXSID9043938
ARPathway2016 ARPathway2016_778 Monobutyl phthalate 131-70-4 DTXSID4040002 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)C1=C(C=CC=C1)C(O)=O Monobutyl phthalate 131-70-4|Monobutyl phthalate|2-(Butoxycarbonyl)benzoate|2-(Butoxycarbonyl)benzoic acid|BRN 2051402|Butyl hydrogen phthalate|EINECS 205-036-2|MBP|MnBP|Mono-n-butyl phthalate|Monobutylphthalate|N-butyl-phthalate|NSC 8479|Phthalic acid Monobutyl Ester|Phthalic acid, monobutyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040002
ARPathway2016 ARPathway2016_778 Monobutyl phthalate 131-70-4 DTXSID4040002 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)C1=C(C=CC=C1)C(O)=O Monobutyl phthalate 131-70-4|Monobutyl phthalate|2-(Butoxycarbonyl)benzoate|2-(Butoxycarbonyl)benzoic acid|BRN 2051402|Butyl hydrogen phthalate|EINECS 205-036-2|MBP|MnBP|Mono-n-butyl phthalate|Monobutylphthalate|N-butyl-phthalate|NSC 8479|Phthalic acid Monobutyl Ester|Phthalic acid, monobutyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040002
ARPathway2016 ARPathway2016_778 Monobutyl phthalate 131-70-4 DTXSID4040002 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)C1=C(C=CC=C1)C(O)=O Monobutyl phthalate 131-70-4|Monobutyl phthalate|2-(Butoxycarbonyl)benzoate|2-(Butoxycarbonyl)benzoic acid|BRN 2051402|Butyl hydrogen phthalate|EINECS 205-036-2|MBP|MnBP|Mono-n-butyl phthalate|Monobutylphthalate|N-butyl-phthalate|NSC 8479|Phthalic acid Monobutyl Ester|Phthalic acid, monobutyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040002
ARPathway2016 ARPathway2016_778 Monobutyl phthalate 131-70-4 DTXSID4040002 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)C1=C(C=CC=C1)C(O)=O Monobutyl phthalate 131-70-4|Monobutyl phthalate|2-(Butoxycarbonyl)benzoate|2-(Butoxycarbonyl)benzoic acid|BRN 2051402|Butyl hydrogen phthalate|EINECS 205-036-2|MBP|MnBP|Mono-n-butyl phthalate|Monobutylphthalate|N-butyl-phthalate|NSC 8479|Phthalic acid Monobutyl Ester|Phthalic acid, monobutyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040002
ERPathway2016 ERPathway2016_863 Monobutyl phthalate 131-70-4 DTXSID4040002 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOC(=O)C1=C(C=CC=C1)C(O)=O Monobutyl phthalate 131-70-4|Monobutyl phthalate|2-(Butoxycarbonyl)benzoate|2-(Butoxycarbonyl)benzoic acid|BRN 2051402|Butyl hydrogen phthalate|EINECS 205-036-2|MBP|MnBP|Mono-n-butyl phthalate|Monobutylphthalate|N-butyl-phthalate|NSC 8479|Phthalic acid Monobutyl Ester|Phthalic acid, monobutyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040002
ERPathway2016 ERPathway2016_863 Monobutyl phthalate 131-70-4 DTXSID4040002 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(=O)C1=C(C=CC=C1)C(O)=O Monobutyl phthalate 131-70-4|Monobutyl phthalate|2-(Butoxycarbonyl)benzoate|2-(Butoxycarbonyl)benzoic acid|BRN 2051402|Butyl hydrogen phthalate|EINECS 205-036-2|MBP|MnBP|Mono-n-butyl phthalate|Monobutylphthalate|N-butyl-phthalate|NSC 8479|Phthalic acid Monobutyl Ester|Phthalic acid, monobutyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040002
ERPathway2016 ERPathway2016_863 Monobutyl phthalate 131-70-4 DTXSID4040002 ER Pathway Model, Agonist Call Inactive Unitless CCCCOC(=O)C1=C(C=CC=C1)C(O)=O Monobutyl phthalate 131-70-4|Monobutyl phthalate|2-(Butoxycarbonyl)benzoate|2-(Butoxycarbonyl)benzoic acid|BRN 2051402|Butyl hydrogen phthalate|EINECS 205-036-2|MBP|MnBP|Mono-n-butyl phthalate|Monobutylphthalate|N-butyl-phthalate|NSC 8479|Phthalic acid Monobutyl Ester|Phthalic acid, monobutyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040002
ERPathway2016 ERPathway2016_863 Monobutyl phthalate 131-70-4 DTXSID4040002 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOC(=O)C1=C(C=CC=C1)C(O)=O Monobutyl phthalate 131-70-4|Monobutyl phthalate|2-(Butoxycarbonyl)benzoate|2-(Butoxycarbonyl)benzoic acid|BRN 2051402|Butyl hydrogen phthalate|EINECS 205-036-2|MBP|MnBP|Mono-n-butyl phthalate|Monobutylphthalate|N-butyl-phthalate|NSC 8479|Phthalic acid Monobutyl Ester|Phthalic acid, monobutyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040002
ARPathway2016 ARPathway2016_1493 Monocrotophos 6923-22-4 DTXSID9034816 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)C=C(/C)OP(=O)(OC)OC Monocrotophos 6923-22-4|Monocrotophos|(E)-Dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl phosphate|(E)-monocrotophos|3-(Dimethoxyphosphinyloxy)N-methyl-cis-crotonamide|3-Dimethoxyphosphinoyloxy-N-methylisocrotonamide|3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate|3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate ester|Aimocron|Apadrin|Azodrin|Azodrin 202R|Biloborn|Bilobran|BRN 2331934|Caswell No. 377|cis-1-Methyl-2-methyl carbamoyl vinyl phosphate|Corophos|Crisodrin|Crotonamide, 3-hydroxy-N-methyl-, dimethylphosphate, (E)-|Dimethyl (E)-1-methyl-2-(methylcarbamoyl) vinyl phosphate|Dimethyl (E)-1-methyl-2-(methylcarbamoyl)vinyl phosphate|Dimethyl (E)-3-hydroxy-N-methylcrotonamide|Dimethyl 1-methyl-2-(methylcarbamoyl)vinyl phosphate, cis|Dimethyl phosphate ester of 3-hydroxy-N-methyl-cis-crotonamide|Dimethyl phosphate ester with (E)-3-hydroxy-N-methylcrotonamide|Dimethyl phosphate of 3-hydroxy-N-methyl-cis-crotonamide|EINECS 230-042-7|EPA Pesticide Chemical Code 058901|Glore phos 36|Hazodrin|Macabre|Megatron|Monicil|Monochrotophos|Mon|83857-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034816
ARPathway2016 ARPathway2016_1493 Monocrotophos 6923-22-4 DTXSID9034816 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CNC(=O)C=C(/C)OP(=O)(OC)OC Monocrotophos 6923-22-4|Monocrotophos|(E)-Dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl phosphate|(E)-monocrotophos|3-(Dimethoxyphosphinyloxy)N-methyl-cis-crotonamide|3-Dimethoxyphosphinoyloxy-N-methylisocrotonamide|3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate|3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate ester|Aimocron|Apadrin|Azodrin|Azodrin 202R|Biloborn|Bilobran|BRN 2331934|Caswell No. 377|cis-1-Methyl-2-methyl carbamoyl vinyl phosphate|Corophos|Crisodrin|Crotonamide, 3-hydroxy-N-methyl-, dimethylphosphate, (E)-|Dimethyl (E)-1-methyl-2-(methylcarbamoyl) vinyl phosphate|Dimethyl (E)-1-methyl-2-(methylcarbamoyl)vinyl phosphate|Dimethyl (E)-3-hydroxy-N-methylcrotonamide|Dimethyl 1-methyl-2-(methylcarbamoyl)vinyl phosphate, cis|Dimethyl phosphate ester of 3-hydroxy-N-methyl-cis-crotonamide|Dimethyl phosphate ester with (E)-3-hydroxy-N-methylcrotonamide|Dimethyl phosphate of 3-hydroxy-N-methyl-cis-crotonamide|EINECS 230-042-7|EPA Pesticide Chemical Code 058901|Glore phos 36|Hazodrin|Macabre|Megatron|Monicil|Monochrotophos|Mon|83857-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034816
ARPathway2016 ARPathway2016_1493 Monocrotophos 6923-22-4 DTXSID9034816 0.0 AR Pathway Model, Agonist Call Inactive Unitless CNC(=O)C=C(/C)OP(=O)(OC)OC Monocrotophos 6923-22-4|Monocrotophos|(E)-Dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl phosphate|(E)-monocrotophos|3-(Dimethoxyphosphinyloxy)N-methyl-cis-crotonamide|3-Dimethoxyphosphinoyloxy-N-methylisocrotonamide|3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate|3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate ester|Aimocron|Apadrin|Azodrin|Azodrin 202R|Biloborn|Bilobran|BRN 2331934|Caswell No. 377|cis-1-Methyl-2-methyl carbamoyl vinyl phosphate|Corophos|Crisodrin|Crotonamide, 3-hydroxy-N-methyl-, dimethylphosphate, (E)-|Dimethyl (E)-1-methyl-2-(methylcarbamoyl) vinyl phosphate|Dimethyl (E)-1-methyl-2-(methylcarbamoyl)vinyl phosphate|Dimethyl (E)-3-hydroxy-N-methylcrotonamide|Dimethyl 1-methyl-2-(methylcarbamoyl)vinyl phosphate, cis|Dimethyl phosphate ester of 3-hydroxy-N-methyl-cis-crotonamide|Dimethyl phosphate ester with (E)-3-hydroxy-N-methylcrotonamide|Dimethyl phosphate of 3-hydroxy-N-methyl-cis-crotonamide|EINECS 230-042-7|EPA Pesticide Chemical Code 058901|Glore phos 36|Hazodrin|Macabre|Megatron|Monicil|Monochrotophos|Mon|83857-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034816
ARPathway2016 ARPathway2016_1493 Monocrotophos 6923-22-4 DTXSID9034816 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CNC(=O)C=C(/C)OP(=O)(OC)OC Monocrotophos 6923-22-4|Monocrotophos|(E)-Dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl phosphate|(E)-monocrotophos|3-(Dimethoxyphosphinyloxy)N-methyl-cis-crotonamide|3-Dimethoxyphosphinoyloxy-N-methylisocrotonamide|3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate|3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate ester|Aimocron|Apadrin|Azodrin|Azodrin 202R|Biloborn|Bilobran|BRN 2331934|Caswell No. 377|cis-1-Methyl-2-methyl carbamoyl vinyl phosphate|Corophos|Crisodrin|Crotonamide, 3-hydroxy-N-methyl-, dimethylphosphate, (E)-|Dimethyl (E)-1-methyl-2-(methylcarbamoyl) vinyl phosphate|Dimethyl (E)-1-methyl-2-(methylcarbamoyl)vinyl phosphate|Dimethyl (E)-3-hydroxy-N-methylcrotonamide|Dimethyl 1-methyl-2-(methylcarbamoyl)vinyl phosphate, cis|Dimethyl phosphate ester of 3-hydroxy-N-methyl-cis-crotonamide|Dimethyl phosphate ester with (E)-3-hydroxy-N-methylcrotonamide|Dimethyl phosphate of 3-hydroxy-N-methyl-cis-crotonamide|EINECS 230-042-7|EPA Pesticide Chemical Code 058901|Glore phos 36|Hazodrin|Macabre|Megatron|Monicil|Monochrotophos|Mon|83857-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034816
ERPathway2016 ERPathway2016_1616 Monocrotophos 6923-22-4 DTXSID9034816 ER Pathway Model, Agonist Model Score 0 Unitless CNC(=O)C=C(/C)OP(=O)(OC)OC Monocrotophos 6923-22-4|Monocrotophos|(E)-Dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl phosphate|(E)-monocrotophos|3-(Dimethoxyphosphinyloxy)N-methyl-cis-crotonamide|3-Dimethoxyphosphinoyloxy-N-methylisocrotonamide|3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate|3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate ester|Aimocron|Apadrin|Azodrin|Azodrin 202R|Biloborn|Bilobran|BRN 2331934|Caswell No. 377|cis-1-Methyl-2-methyl carbamoyl vinyl phosphate|Corophos|Crisodrin|Crotonamide, 3-hydroxy-N-methyl-, dimethylphosphate, (E)-|Dimethyl (E)-1-methyl-2-(methylcarbamoyl) vinyl phosphate|Dimethyl (E)-1-methyl-2-(methylcarbamoyl)vinyl phosphate|Dimethyl (E)-3-hydroxy-N-methylcrotonamide|Dimethyl 1-methyl-2-(methylcarbamoyl)vinyl phosphate, cis|Dimethyl phosphate ester of 3-hydroxy-N-methyl-cis-crotonamide|Dimethyl phosphate ester with (E)-3-hydroxy-N-methylcrotonamide|Dimethyl phosphate of 3-hydroxy-N-methyl-cis-crotonamide|EINECS 230-042-7|EPA Pesticide Chemical Code 058901|Glore phos 36|Hazodrin|Macabre|Megatron|Monicil|Monochrotophos|Mon|83857-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034816
ERPathway2016 ERPathway2016_1616 Monocrotophos 6923-22-4 DTXSID9034816 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)C=C(/C)OP(=O)(OC)OC Monocrotophos 6923-22-4|Monocrotophos|(E)-Dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl phosphate|(E)-monocrotophos|3-(Dimethoxyphosphinyloxy)N-methyl-cis-crotonamide|3-Dimethoxyphosphinoyloxy-N-methylisocrotonamide|3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate|3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate ester|Aimocron|Apadrin|Azodrin|Azodrin 202R|Biloborn|Bilobran|BRN 2331934|Caswell No. 377|cis-1-Methyl-2-methyl carbamoyl vinyl phosphate|Corophos|Crisodrin|Crotonamide, 3-hydroxy-N-methyl-, dimethylphosphate, (E)-|Dimethyl (E)-1-methyl-2-(methylcarbamoyl) vinyl phosphate|Dimethyl (E)-1-methyl-2-(methylcarbamoyl)vinyl phosphate|Dimethyl (E)-3-hydroxy-N-methylcrotonamide|Dimethyl 1-methyl-2-(methylcarbamoyl)vinyl phosphate, cis|Dimethyl phosphate ester of 3-hydroxy-N-methyl-cis-crotonamide|Dimethyl phosphate ester with (E)-3-hydroxy-N-methylcrotonamide|Dimethyl phosphate of 3-hydroxy-N-methyl-cis-crotonamide|EINECS 230-042-7|EPA Pesticide Chemical Code 058901|Glore phos 36|Hazodrin|Macabre|Megatron|Monicil|Monochrotophos|Mon|83857-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034816
ERPathway2016 ERPathway2016_1616 Monocrotophos 6923-22-4 DTXSID9034816 ER Pathway Model, Agonist Call Inactive Unitless CNC(=O)C=C(/C)OP(=O)(OC)OC Monocrotophos 6923-22-4|Monocrotophos|(E)-Dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl phosphate|(E)-monocrotophos|3-(Dimethoxyphosphinyloxy)N-methyl-cis-crotonamide|3-Dimethoxyphosphinoyloxy-N-methylisocrotonamide|3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate|3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate ester|Aimocron|Apadrin|Azodrin|Azodrin 202R|Biloborn|Bilobran|BRN 2331934|Caswell No. 377|cis-1-Methyl-2-methyl carbamoyl vinyl phosphate|Corophos|Crisodrin|Crotonamide, 3-hydroxy-N-methyl-, dimethylphosphate, (E)-|Dimethyl (E)-1-methyl-2-(methylcarbamoyl) vinyl phosphate|Dimethyl (E)-1-methyl-2-(methylcarbamoyl)vinyl phosphate|Dimethyl (E)-3-hydroxy-N-methylcrotonamide|Dimethyl 1-methyl-2-(methylcarbamoyl)vinyl phosphate, cis|Dimethyl phosphate ester of 3-hydroxy-N-methyl-cis-crotonamide|Dimethyl phosphate ester with (E)-3-hydroxy-N-methylcrotonamide|Dimethyl phosphate of 3-hydroxy-N-methyl-cis-crotonamide|EINECS 230-042-7|EPA Pesticide Chemical Code 058901|Glore phos 36|Hazodrin|Macabre|Megatron|Monicil|Monochrotophos|Mon|83857-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034816
ERPathway2016 ERPathway2016_1616 Monocrotophos 6923-22-4 DTXSID9034816 ER Pathway Model, Antagonist Call Inactive Unitless CNC(=O)C=C(/C)OP(=O)(OC)OC Monocrotophos 6923-22-4|Monocrotophos|(E)-Dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl phosphate|(E)-monocrotophos|3-(Dimethoxyphosphinyloxy)N-methyl-cis-crotonamide|3-Dimethoxyphosphinoyloxy-N-methylisocrotonamide|3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate|3-Hydroxy-N-methyl-cis-crotonamide dimethyl phosphate ester|Aimocron|Apadrin|Azodrin|Azodrin 202R|Biloborn|Bilobran|BRN 2331934|Caswell No. 377|cis-1-Methyl-2-methyl carbamoyl vinyl phosphate|Corophos|Crisodrin|Crotonamide, 3-hydroxy-N-methyl-, dimethylphosphate, (E)-|Dimethyl (E)-1-methyl-2-(methylcarbamoyl) vinyl phosphate|Dimethyl (E)-1-methyl-2-(methylcarbamoyl)vinyl phosphate|Dimethyl (E)-3-hydroxy-N-methylcrotonamide|Dimethyl 1-methyl-2-(methylcarbamoyl)vinyl phosphate, cis|Dimethyl phosphate ester of 3-hydroxy-N-methyl-cis-crotonamide|Dimethyl phosphate ester with (E)-3-hydroxy-N-methylcrotonamide|Dimethyl phosphate of 3-hydroxy-N-methyl-cis-crotonamide|EINECS 230-042-7|EPA Pesticide Chemical Code 058901|Glore phos 36|Hazodrin|Macabre|Megatron|Monicil|Monochrotophos|Mon|83857-41-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034816
ARPathway2016 ARPathway2016_1206 Monomethyl phthalate 4376-18-5 DTXSID9040001 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=C(C=CC=C1)C(O)=O Monomethyl phthalate 4376-18-5|Monomethyl phthalate|2-(Methoxycarbonyl)benzoate|2-(Methoxycarbonyl)benzoic acid|EINECS 224-476-6|Methyl hydrogen phthalate|Methyl phthalate|MMP|Monomethyl 1,2-benzenedicarboxylate|NSC 8281|O-(Methoxycarbonyl)benzoate|o-(Methoxycarbonyl)benzoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040001
ARPathway2016 ARPathway2016_1206 Monomethyl phthalate 4376-18-5 DTXSID9040001 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=C(C=CC=C1)C(O)=O Monomethyl phthalate 4376-18-5|Monomethyl phthalate|2-(Methoxycarbonyl)benzoate|2-(Methoxycarbonyl)benzoic acid|EINECS 224-476-6|Methyl hydrogen phthalate|Methyl phthalate|MMP|Monomethyl 1,2-benzenedicarboxylate|NSC 8281|O-(Methoxycarbonyl)benzoate|o-(Methoxycarbonyl)benzoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040001
ARPathway2016 ARPathway2016_1206 Monomethyl phthalate 4376-18-5 DTXSID9040001 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=C(C=CC=C1)C(O)=O Monomethyl phthalate 4376-18-5|Monomethyl phthalate|2-(Methoxycarbonyl)benzoate|2-(Methoxycarbonyl)benzoic acid|EINECS 224-476-6|Methyl hydrogen phthalate|Methyl phthalate|MMP|Monomethyl 1,2-benzenedicarboxylate|NSC 8281|O-(Methoxycarbonyl)benzoate|o-(Methoxycarbonyl)benzoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040001
ARPathway2016 ARPathway2016_1206 Monomethyl phthalate 4376-18-5 DTXSID9040001 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=C(C=CC=C1)C(O)=O Monomethyl phthalate 4376-18-5|Monomethyl phthalate|2-(Methoxycarbonyl)benzoate|2-(Methoxycarbonyl)benzoic acid|EINECS 224-476-6|Methyl hydrogen phthalate|Methyl phthalate|MMP|Monomethyl 1,2-benzenedicarboxylate|NSC 8281|O-(Methoxycarbonyl)benzoate|o-(Methoxycarbonyl)benzoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040001
ERPathway2016 ERPathway2016_1482 Monomethyl phthalate 4376-18-5 DTXSID9040001 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=C(C=CC=C1)C(O)=O Monomethyl phthalate 4376-18-5|Monomethyl phthalate|2-(Methoxycarbonyl)benzoate|2-(Methoxycarbonyl)benzoic acid|EINECS 224-476-6|Methyl hydrogen phthalate|Methyl phthalate|MMP|Monomethyl 1,2-benzenedicarboxylate|NSC 8281|O-(Methoxycarbonyl)benzoate|o-(Methoxycarbonyl)benzoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040001
ERPathway2016 ERPathway2016_1482 Monomethyl phthalate 4376-18-5 DTXSID9040001 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=C(C=CC=C1)C(O)=O Monomethyl phthalate 4376-18-5|Monomethyl phthalate|2-(Methoxycarbonyl)benzoate|2-(Methoxycarbonyl)benzoic acid|EINECS 224-476-6|Methyl hydrogen phthalate|Methyl phthalate|MMP|Monomethyl 1,2-benzenedicarboxylate|NSC 8281|O-(Methoxycarbonyl)benzoate|o-(Methoxycarbonyl)benzoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040001
ERPathway2016 ERPathway2016_1482 Monomethyl phthalate 4376-18-5 DTXSID9040001 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=C(C=CC=C1)C(O)=O Monomethyl phthalate 4376-18-5|Monomethyl phthalate|2-(Methoxycarbonyl)benzoate|2-(Methoxycarbonyl)benzoic acid|EINECS 224-476-6|Methyl hydrogen phthalate|Methyl phthalate|MMP|Monomethyl 1,2-benzenedicarboxylate|NSC 8281|O-(Methoxycarbonyl)benzoate|o-(Methoxycarbonyl)benzoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040001
ERPathway2016 ERPathway2016_1482 Monomethyl phthalate 4376-18-5 DTXSID9040001 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=C(C=CC=C1)C(O)=O Monomethyl phthalate 4376-18-5|Monomethyl phthalate|2-(Methoxycarbonyl)benzoate|2-(Methoxycarbonyl)benzoic acid|EINECS 224-476-6|Methyl hydrogen phthalate|Methyl phthalate|MMP|Monomethyl 1,2-benzenedicarboxylate|NSC 8281|O-(Methoxycarbonyl)benzoate|o-(Methoxycarbonyl)benzoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040001
ARPathway2016 ARPathway2016_1669 Monopotassium phthalate 877-24-7 DTXSID0042167 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [K+].OC(=O)C1=C(C=CC=C1)C([O-])=O Monopotassium phthalate 877-24-7|Monopotassium phthalate|1,2-Benzenedicarboxylic acid monopotassium salt|1,2-Benzenedicarboxylic acid, monopotassium salt|1,2-Benzenedicarboxylic acid, potassium salt (1:1)|EINECS 212-889-4|hidrogenoftalato de potasio|Hydrogen potassium phthalate|Hydrogenophtalate de potassium|Kaliumhydrogenphthalat|Monopotassium 1,2-benzenedicarboxylate|PHTHALATE, POTASSIUM HYDROGEN|PHTHALIC ACID MONOPOTASSIUM SALT|Phthalic acid, monopotassium salt|POTASSIUM ACID PHTHALATE|POTASSIUM BIPHTHALATE|potassium hydrogen phthalate|POTASSIUM PHTHALATE|Potassium phthalate monobasic|UNII-GG9121M623 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042167
ARPathway2016 ARPathway2016_1669 Monopotassium phthalate 877-24-7 DTXSID0042167 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [K+].OC(=O)C1=C(C=CC=C1)C([O-])=O Monopotassium phthalate 877-24-7|Monopotassium phthalate|1,2-Benzenedicarboxylic acid monopotassium salt|1,2-Benzenedicarboxylic acid, monopotassium salt|1,2-Benzenedicarboxylic acid, potassium salt (1:1)|EINECS 212-889-4|hidrogenoftalato de potasio|Hydrogen potassium phthalate|Hydrogenophtalate de potassium|Kaliumhydrogenphthalat|Monopotassium 1,2-benzenedicarboxylate|PHTHALATE, POTASSIUM HYDROGEN|PHTHALIC ACID MONOPOTASSIUM SALT|Phthalic acid, monopotassium salt|POTASSIUM ACID PHTHALATE|POTASSIUM BIPHTHALATE|potassium hydrogen phthalate|POTASSIUM PHTHALATE|Potassium phthalate monobasic|UNII-GG9121M623 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042167
ARPathway2016 ARPathway2016_1669 Monopotassium phthalate 877-24-7 DTXSID0042167 0.0 AR Pathway Model, Agonist Call Inactive Unitless [K+].OC(=O)C1=C(C=CC=C1)C([O-])=O Monopotassium phthalate 877-24-7|Monopotassium phthalate|1,2-Benzenedicarboxylic acid monopotassium salt|1,2-Benzenedicarboxylic acid, monopotassium salt|1,2-Benzenedicarboxylic acid, potassium salt (1:1)|EINECS 212-889-4|hidrogenoftalato de potasio|Hydrogen potassium phthalate|Hydrogenophtalate de potassium|Kaliumhydrogenphthalat|Monopotassium 1,2-benzenedicarboxylate|PHTHALATE, POTASSIUM HYDROGEN|PHTHALIC ACID MONOPOTASSIUM SALT|Phthalic acid, monopotassium salt|POTASSIUM ACID PHTHALATE|POTASSIUM BIPHTHALATE|potassium hydrogen phthalate|POTASSIUM PHTHALATE|Potassium phthalate monobasic|UNII-GG9121M623 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042167
ARPathway2016 ARPathway2016_1669 Monopotassium phthalate 877-24-7 DTXSID0042167 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [K+].OC(=O)C1=C(C=CC=C1)C([O-])=O Monopotassium phthalate 877-24-7|Monopotassium phthalate|1,2-Benzenedicarboxylic acid monopotassium salt|1,2-Benzenedicarboxylic acid, monopotassium salt|1,2-Benzenedicarboxylic acid, potassium salt (1:1)|EINECS 212-889-4|hidrogenoftalato de potasio|Hydrogen potassium phthalate|Hydrogenophtalate de potassium|Kaliumhydrogenphthalat|Monopotassium 1,2-benzenedicarboxylate|PHTHALATE, POTASSIUM HYDROGEN|PHTHALIC ACID MONOPOTASSIUM SALT|Phthalic acid, monopotassium salt|POTASSIUM ACID PHTHALATE|POTASSIUM BIPHTHALATE|potassium hydrogen phthalate|POTASSIUM PHTHALATE|Potassium phthalate monobasic|UNII-GG9121M623 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042167
ERPathway2016 ERPathway2016_1719 Monopotassium phthalate 877-24-7 DTXSID0042167 ER Pathway Model, Agonist Model Score 0 Unitless [K+].OC(=O)C1=C(C=CC=C1)C([O-])=O Monopotassium phthalate 877-24-7|Monopotassium phthalate|1,2-Benzenedicarboxylic acid monopotassium salt|1,2-Benzenedicarboxylic acid, monopotassium salt|1,2-Benzenedicarboxylic acid, potassium salt (1:1)|EINECS 212-889-4|hidrogenoftalato de potasio|Hydrogen potassium phthalate|Hydrogenophtalate de potassium|Kaliumhydrogenphthalat|Monopotassium 1,2-benzenedicarboxylate|PHTHALATE, POTASSIUM HYDROGEN|PHTHALIC ACID MONOPOTASSIUM SALT|Phthalic acid, monopotassium salt|POTASSIUM ACID PHTHALATE|POTASSIUM BIPHTHALATE|potassium hydrogen phthalate|POTASSIUM PHTHALATE|Potassium phthalate monobasic|UNII-GG9121M623 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042167
ERPathway2016 ERPathway2016_1719 Monopotassium phthalate 877-24-7 DTXSID0042167 ER Pathway Model, Antagonist Model Score 0 Unitless [K+].OC(=O)C1=C(C=CC=C1)C([O-])=O Monopotassium phthalate 877-24-7|Monopotassium phthalate|1,2-Benzenedicarboxylic acid monopotassium salt|1,2-Benzenedicarboxylic acid, monopotassium salt|1,2-Benzenedicarboxylic acid, potassium salt (1:1)|EINECS 212-889-4|hidrogenoftalato de potasio|Hydrogen potassium phthalate|Hydrogenophtalate de potassium|Kaliumhydrogenphthalat|Monopotassium 1,2-benzenedicarboxylate|PHTHALATE, POTASSIUM HYDROGEN|PHTHALIC ACID MONOPOTASSIUM SALT|Phthalic acid, monopotassium salt|POTASSIUM ACID PHTHALATE|POTASSIUM BIPHTHALATE|potassium hydrogen phthalate|POTASSIUM PHTHALATE|Potassium phthalate monobasic|UNII-GG9121M623 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042167
ERPathway2016 ERPathway2016_1719 Monopotassium phthalate 877-24-7 DTXSID0042167 ER Pathway Model, Agonist Call Inactive Unitless [K+].OC(=O)C1=C(C=CC=C1)C([O-])=O Monopotassium phthalate 877-24-7|Monopotassium phthalate|1,2-Benzenedicarboxylic acid monopotassium salt|1,2-Benzenedicarboxylic acid, monopotassium salt|1,2-Benzenedicarboxylic acid, potassium salt (1:1)|EINECS 212-889-4|hidrogenoftalato de potasio|Hydrogen potassium phthalate|Hydrogenophtalate de potassium|Kaliumhydrogenphthalat|Monopotassium 1,2-benzenedicarboxylate|PHTHALATE, POTASSIUM HYDROGEN|PHTHALIC ACID MONOPOTASSIUM SALT|Phthalic acid, monopotassium salt|POTASSIUM ACID PHTHALATE|POTASSIUM BIPHTHALATE|potassium hydrogen phthalate|POTASSIUM PHTHALATE|Potassium phthalate monobasic|UNII-GG9121M623 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042167
ERPathway2016 ERPathway2016_1719 Monopotassium phthalate 877-24-7 DTXSID0042167 ER Pathway Model, Antagonist Call Inactive Unitless [K+].OC(=O)C1=C(C=CC=C1)C([O-])=O Monopotassium phthalate 877-24-7|Monopotassium phthalate|1,2-Benzenedicarboxylic acid monopotassium salt|1,2-Benzenedicarboxylic acid, monopotassium salt|1,2-Benzenedicarboxylic acid, potassium salt (1:1)|EINECS 212-889-4|hidrogenoftalato de potasio|Hydrogen potassium phthalate|Hydrogenophtalate de potassium|Kaliumhydrogenphthalat|Monopotassium 1,2-benzenedicarboxylate|PHTHALATE, POTASSIUM HYDROGEN|PHTHALIC ACID MONOPOTASSIUM SALT|Phthalic acid, monopotassium salt|POTASSIUM ACID PHTHALATE|POTASSIUM BIPHTHALATE|potassium hydrogen phthalate|POTASSIUM PHTHALATE|Potassium phthalate monobasic|UNII-GG9121M623 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042167
ARPathway2016 ARPathway2016_366 Monotridecyl phosphate 5116-94-9 DTXSID0042169 1.0 Agonist AR Pathway Model, Antagonist ACC 2.794474371 uM CCCCCCCCCCCCCOP(O)(O)=O Monotridecyl phosphate 5116-94-9|Monotridecyl phosphate|1- Tridecanol, 1- (dihydrogen phosphate)|1-Tridecanol, dihydrogen phosphate|EINECS 225-850-1|Mono-n-tridecyl phosphate|Phosphoric acid monotridecyl ester|tridecan-1-yl dihydrogen phosphate|Tridecyl acid phosphate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042169
ARPathway2016 ARPathway2016_366 Monotridecyl phosphate 5116-94-9 DTXSID0042169 1.0 Agonist AR Pathway Model, Antagonist AC50 10.27535491 uM CCCCCCCCCCCCCOP(O)(O)=O Monotridecyl phosphate 5116-94-9|Monotridecyl phosphate|1- Tridecanol, 1- (dihydrogen phosphate)|1-Tridecanol, dihydrogen phosphate|EINECS 225-850-1|Mono-n-tridecyl phosphate|Phosphoric acid monotridecyl ester|tridecan-1-yl dihydrogen phosphate|Tridecyl acid phosphate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042169
ARPathway2016 ARPathway2016_366 Monotridecyl phosphate 5116-94-9 DTXSID0042169 1.0 Agonist AR Pathway Model, Antagonist Model Score 0.0486 Unitless CCCCCCCCCCCCCOP(O)(O)=O Monotridecyl phosphate 5116-94-9|Monotridecyl phosphate|1- Tridecanol, 1- (dihydrogen phosphate)|1-Tridecanol, dihydrogen phosphate|EINECS 225-850-1|Mono-n-tridecyl phosphate|Phosphoric acid monotridecyl ester|tridecan-1-yl dihydrogen phosphate|Tridecyl acid phosphate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042169
ARPathway2016 ARPathway2016_366 Monotridecyl phosphate 5116-94-9 DTXSID0042169 1.0 Agonist AR Pathway Model, Agonist Model Score 0.128 Unitless CCCCCCCCCCCCCOP(O)(O)=O Monotridecyl phosphate 5116-94-9|Monotridecyl phosphate|1- Tridecanol, 1- (dihydrogen phosphate)|1-Tridecanol, dihydrogen phosphate|EINECS 225-850-1|Mono-n-tridecyl phosphate|Phosphoric acid monotridecyl ester|tridecan-1-yl dihydrogen phosphate|Tridecyl acid phosphate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042169
ARPathway2016 ARPathway2016_366 Monotridecyl phosphate 5116-94-9 DTXSID0042169 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCOP(O)(O)=O Monotridecyl phosphate 5116-94-9|Monotridecyl phosphate|1- Tridecanol, 1- (dihydrogen phosphate)|1-Tridecanol, dihydrogen phosphate|EINECS 225-850-1|Mono-n-tridecyl phosphate|Phosphoric acid monotridecyl ester|tridecan-1-yl dihydrogen phosphate|Tridecyl acid phosphate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042169
ARPathway2016 ARPathway2016_366 Monotridecyl phosphate 5116-94-9 DTXSID0042169 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless CCCCCCCCCCCCCOP(O)(O)=O Monotridecyl phosphate 5116-94-9|Monotridecyl phosphate|1- Tridecanol, 1- (dihydrogen phosphate)|1-Tridecanol, dihydrogen phosphate|EINECS 225-850-1|Mono-n-tridecyl phosphate|Phosphoric acid monotridecyl ester|tridecan-1-yl dihydrogen phosphate|Tridecyl acid phosphate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042169
ERPathway2016 ERPathway2016_106 Monotridecyl phosphate 5116-94-9 DTXSID0042169 A17 ER Pathway Model, Agonist AC50 35.8613309231309 uM CCCCCCCCCCCCCOP(O)(O)=O Monotridecyl phosphate 5116-94-9|Monotridecyl phosphate|1- Tridecanol, 1- (dihydrogen phosphate)|1-Tridecanol, dihydrogen phosphate|EINECS 225-850-1|Mono-n-tridecyl phosphate|Phosphoric acid monotridecyl ester|tridecan-1-yl dihydrogen phosphate|Tridecyl acid phosphate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042169
ERPathway2016 ERPathway2016_106 Monotridecyl phosphate 5116-94-9 DTXSID0042169 A17 ER Pathway Model, Agonist ACC 31.2872994621919 uM CCCCCCCCCCCCCOP(O)(O)=O Monotridecyl phosphate 5116-94-9|Monotridecyl phosphate|1- Tridecanol, 1- (dihydrogen phosphate)|1-Tridecanol, dihydrogen phosphate|EINECS 225-850-1|Mono-n-tridecyl phosphate|Phosphoric acid monotridecyl ester|tridecan-1-yl dihydrogen phosphate|Tridecyl acid phosphate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042169
ERPathway2016 ERPathway2016_106 Monotridecyl phosphate 5116-94-9 DTXSID0042169 A17 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCOP(O)(O)=O Monotridecyl phosphate 5116-94-9|Monotridecyl phosphate|1- Tridecanol, 1- (dihydrogen phosphate)|1-Tridecanol, dihydrogen phosphate|EINECS 225-850-1|Mono-n-tridecyl phosphate|Phosphoric acid monotridecyl ester|tridecan-1-yl dihydrogen phosphate|Tridecyl acid phosphate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042169
ERPathway2016 ERPathway2016_106 Monotridecyl phosphate 5116-94-9 DTXSID0042169 A17 ER Pathway Model, Antagonist Model Score 0.0199 Unitless CCCCCCCCCCCCCOP(O)(O)=O Monotridecyl phosphate 5116-94-9|Monotridecyl phosphate|1- Tridecanol, 1- (dihydrogen phosphate)|1-Tridecanol, dihydrogen phosphate|EINECS 225-850-1|Mono-n-tridecyl phosphate|Phosphoric acid monotridecyl ester|tridecan-1-yl dihydrogen phosphate|Tridecyl acid phosphate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042169
ERPathway2016 ERPathway2016_106 Monotridecyl phosphate 5116-94-9 DTXSID0042169 A17 ER Pathway Model, Agonist Call Active Unitless CCCCCCCCCCCCCOP(O)(O)=O Monotridecyl phosphate 5116-94-9|Monotridecyl phosphate|1- Tridecanol, 1- (dihydrogen phosphate)|1-Tridecanol, dihydrogen phosphate|EINECS 225-850-1|Mono-n-tridecyl phosphate|Phosphoric acid monotridecyl ester|tridecan-1-yl dihydrogen phosphate|Tridecyl acid phosphate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042169
ERPathway2016 ERPathway2016_106 Monotridecyl phosphate 5116-94-9 DTXSID0042169 A17 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCOP(O)(O)=O Monotridecyl phosphate 5116-94-9|Monotridecyl phosphate|1- Tridecanol, 1- (dihydrogen phosphate)|1-Tridecanol, dihydrogen phosphate|EINECS 225-850-1|Mono-n-tridecyl phosphate|Phosphoric acid monotridecyl ester|tridecan-1-yl dihydrogen phosphate|Tridecyl acid phosphate https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042169
ARPathway2016 ARPathway2016_881 Monuron 150-68-5 DTXSID0020311 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(=O)NC1=CC=C(Cl)C=C1 Monuron 150-68-5|Monuron|1-(4-Chloro phenyl)-3,3-dimethyluree|1-(4-Chlorophenyl)-3,3-dimethylurea|1-(p-Chlorophenyl)-3,3-dimethylurea|1-para-Chlorophenyl-3,3-dimethylurea|1,1-Dimethyl-3-(4-chlorophenyl)urea|1,1-Dimethyl-3-(p-chlorophenyl)thiourea|1,1-Dimethyl-3-(p-chlorophenyl)urea|1,1-Dimethyl-3-(para-chlorophenyl)urea|205-766-1|3-(4-Chloor-fenyl)-1,1-dimethylureum|3-(4-Chlor-phenyl)-1,1-dimethyl-harnstoff|3-(4-Chlorophenyl)-1,1-dimethylurea|3-(4-Cloro-fenil)-1,1-dimetil-urea|3-(p-Chlorophenyl)-1,1-dimethylurea|3-para-Chlorophenyl-1,1-dimethylurea|BRN 2097922|Caswell No. 583|Chlorea|Chlorfenidim|CMU|CMU Weedkiller|CNV Weed Killer|EC No.: 205-766-1|EINECS 205-766-1|EPA Pesticide Chemical Code 035501|Herbicides, monuron|Karmex Monuron Herbicide|Karmex W|Karmex W. monuron herbicide|Lirobetarex|Monurex|Monuroun|Monurox|Monuruon|Monuuron|N-(4-Chlorophenyl)-N',N'-dimethylurea|N-(p-Chlorophenyl)-N',N'-dimethylurea|N-Dimethyl-N'-(4-chlorophenyl)urea|N-para-Chlorophenyl-N',N'-dimethylurea|N,N-Dimethyl-N'-(4-chlorophenyl)urea|N'-(4-Chlorophen https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020311 https://doi.org/10.22427/NTP-DATA-DTXSID0020311
ARPathway2016 ARPathway2016_881 Monuron 150-68-5 DTXSID0020311 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C(=O)NC1=CC=C(Cl)C=C1 Monuron 150-68-5|Monuron|1-(4-Chloro phenyl)-3,3-dimethyluree|1-(4-Chlorophenyl)-3,3-dimethylurea|1-(p-Chlorophenyl)-3,3-dimethylurea|1-para-Chlorophenyl-3,3-dimethylurea|1,1-Dimethyl-3-(4-chlorophenyl)urea|1,1-Dimethyl-3-(p-chlorophenyl)thiourea|1,1-Dimethyl-3-(p-chlorophenyl)urea|1,1-Dimethyl-3-(para-chlorophenyl)urea|205-766-1|3-(4-Chloor-fenyl)-1,1-dimethylureum|3-(4-Chlor-phenyl)-1,1-dimethyl-harnstoff|3-(4-Chlorophenyl)-1,1-dimethylurea|3-(4-Cloro-fenil)-1,1-dimetil-urea|3-(p-Chlorophenyl)-1,1-dimethylurea|3-para-Chlorophenyl-1,1-dimethylurea|BRN 2097922|Caswell No. 583|Chlorea|Chlorfenidim|CMU|CMU Weedkiller|CNV Weed Killer|EC No.: 205-766-1|EINECS 205-766-1|EPA Pesticide Chemical Code 035501|Herbicides, monuron|Karmex Monuron Herbicide|Karmex W|Karmex W. monuron herbicide|Lirobetarex|Monurex|Monuroun|Monurox|Monuruon|Monuuron|N-(4-Chlorophenyl)-N',N'-dimethylurea|N-(p-Chlorophenyl)-N',N'-dimethylurea|N-Dimethyl-N'-(4-chlorophenyl)urea|N-para-Chlorophenyl-N',N'-dimethylurea|N,N-Dimethyl-N'-(4-chlorophenyl)urea|N'-(4-Chlorophen https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020311 https://doi.org/10.22427/NTP-DATA-DTXSID0020311
ARPathway2016 ARPathway2016_881 Monuron 150-68-5 DTXSID0020311 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN(C)C(=O)NC1=CC=C(Cl)C=C1 Monuron 150-68-5|Monuron|1-(4-Chloro phenyl)-3,3-dimethyluree|1-(4-Chlorophenyl)-3,3-dimethylurea|1-(p-Chlorophenyl)-3,3-dimethylurea|1-para-Chlorophenyl-3,3-dimethylurea|1,1-Dimethyl-3-(4-chlorophenyl)urea|1,1-Dimethyl-3-(p-chlorophenyl)thiourea|1,1-Dimethyl-3-(p-chlorophenyl)urea|1,1-Dimethyl-3-(para-chlorophenyl)urea|205-766-1|3-(4-Chloor-fenyl)-1,1-dimethylureum|3-(4-Chlor-phenyl)-1,1-dimethyl-harnstoff|3-(4-Chlorophenyl)-1,1-dimethylurea|3-(4-Cloro-fenil)-1,1-dimetil-urea|3-(p-Chlorophenyl)-1,1-dimethylurea|3-para-Chlorophenyl-1,1-dimethylurea|BRN 2097922|Caswell No. 583|Chlorea|Chlorfenidim|CMU|CMU Weedkiller|CNV Weed Killer|EC No.: 205-766-1|EINECS 205-766-1|EPA Pesticide Chemical Code 035501|Herbicides, monuron|Karmex Monuron Herbicide|Karmex W|Karmex W. monuron herbicide|Lirobetarex|Monurex|Monuroun|Monurox|Monuruon|Monuuron|N-(4-Chlorophenyl)-N',N'-dimethylurea|N-(p-Chlorophenyl)-N',N'-dimethylurea|N-Dimethyl-N'-(4-chlorophenyl)urea|N-para-Chlorophenyl-N',N'-dimethylurea|N,N-Dimethyl-N'-(4-chlorophenyl)urea|N'-(4-Chlorophen https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020311 https://doi.org/10.22427/NTP-DATA-DTXSID0020311
ARPathway2016 ARPathway2016_881 Monuron 150-68-5 DTXSID0020311 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C(=O)NC1=CC=C(Cl)C=C1 Monuron 150-68-5|Monuron|1-(4-Chloro phenyl)-3,3-dimethyluree|1-(4-Chlorophenyl)-3,3-dimethylurea|1-(p-Chlorophenyl)-3,3-dimethylurea|1-para-Chlorophenyl-3,3-dimethylurea|1,1-Dimethyl-3-(4-chlorophenyl)urea|1,1-Dimethyl-3-(p-chlorophenyl)thiourea|1,1-Dimethyl-3-(p-chlorophenyl)urea|1,1-Dimethyl-3-(para-chlorophenyl)urea|205-766-1|3-(4-Chloor-fenyl)-1,1-dimethylureum|3-(4-Chlor-phenyl)-1,1-dimethyl-harnstoff|3-(4-Chlorophenyl)-1,1-dimethylurea|3-(4-Cloro-fenil)-1,1-dimetil-urea|3-(p-Chlorophenyl)-1,1-dimethylurea|3-para-Chlorophenyl-1,1-dimethylurea|BRN 2097922|Caswell No. 583|Chlorea|Chlorfenidim|CMU|CMU Weedkiller|CNV Weed Killer|EC No.: 205-766-1|EINECS 205-766-1|EPA Pesticide Chemical Code 035501|Herbicides, monuron|Karmex Monuron Herbicide|Karmex W|Karmex W. monuron herbicide|Lirobetarex|Monurex|Monuroun|Monurox|Monuruon|Monuuron|N-(4-Chlorophenyl)-N',N'-dimethylurea|N-(p-Chlorophenyl)-N',N'-dimethylurea|N-Dimethyl-N'-(4-chlorophenyl)urea|N-para-Chlorophenyl-N',N'-dimethylurea|N,N-Dimethyl-N'-(4-chlorophenyl)urea|N'-(4-Chlorophen https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020311 https://doi.org/10.22427/NTP-DATA-DTXSID0020311
ERPathway2016 ERPathway2016_1319 Monuron 150-68-5 DTXSID0020311 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)C(=O)NC1=CC=C(Cl)C=C1 Monuron 150-68-5|Monuron|1-(4-Chloro phenyl)-3,3-dimethyluree|1-(4-Chlorophenyl)-3,3-dimethylurea|1-(p-Chlorophenyl)-3,3-dimethylurea|1-para-Chlorophenyl-3,3-dimethylurea|1,1-Dimethyl-3-(4-chlorophenyl)urea|1,1-Dimethyl-3-(p-chlorophenyl)thiourea|1,1-Dimethyl-3-(p-chlorophenyl)urea|1,1-Dimethyl-3-(para-chlorophenyl)urea|205-766-1|3-(4-Chloor-fenyl)-1,1-dimethylureum|3-(4-Chlor-phenyl)-1,1-dimethyl-harnstoff|3-(4-Chlorophenyl)-1,1-dimethylurea|3-(4-Cloro-fenil)-1,1-dimetil-urea|3-(p-Chlorophenyl)-1,1-dimethylurea|3-para-Chlorophenyl-1,1-dimethylurea|BRN 2097922|Caswell No. 583|Chlorea|Chlorfenidim|CMU|CMU Weedkiller|CNV Weed Killer|EC No.: 205-766-1|EINECS 205-766-1|EPA Pesticide Chemical Code 035501|Herbicides, monuron|Karmex Monuron Herbicide|Karmex W|Karmex W. monuron herbicide|Lirobetarex|Monurex|Monuroun|Monurox|Monuruon|Monuuron|N-(4-Chlorophenyl)-N',N'-dimethylurea|N-(p-Chlorophenyl)-N',N'-dimethylurea|N-Dimethyl-N'-(4-chlorophenyl)urea|N-para-Chlorophenyl-N',N'-dimethylurea|N,N-Dimethyl-N'-(4-chlorophenyl)urea|N'-(4-Chlorophen https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020311 https://doi.org/10.22427/NTP-DATA-DTXSID0020311
ERPathway2016 ERPathway2016_1319 Monuron 150-68-5 DTXSID0020311 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(=O)NC1=CC=C(Cl)C=C1 Monuron 150-68-5|Monuron|1-(4-Chloro phenyl)-3,3-dimethyluree|1-(4-Chlorophenyl)-3,3-dimethylurea|1-(p-Chlorophenyl)-3,3-dimethylurea|1-para-Chlorophenyl-3,3-dimethylurea|1,1-Dimethyl-3-(4-chlorophenyl)urea|1,1-Dimethyl-3-(p-chlorophenyl)thiourea|1,1-Dimethyl-3-(p-chlorophenyl)urea|1,1-Dimethyl-3-(para-chlorophenyl)urea|205-766-1|3-(4-Chloor-fenyl)-1,1-dimethylureum|3-(4-Chlor-phenyl)-1,1-dimethyl-harnstoff|3-(4-Chlorophenyl)-1,1-dimethylurea|3-(4-Cloro-fenil)-1,1-dimetil-urea|3-(p-Chlorophenyl)-1,1-dimethylurea|3-para-Chlorophenyl-1,1-dimethylurea|BRN 2097922|Caswell No. 583|Chlorea|Chlorfenidim|CMU|CMU Weedkiller|CNV Weed Killer|EC No.: 205-766-1|EINECS 205-766-1|EPA Pesticide Chemical Code 035501|Herbicides, monuron|Karmex Monuron Herbicide|Karmex W|Karmex W. monuron herbicide|Lirobetarex|Monurex|Monuroun|Monurox|Monuruon|Monuuron|N-(4-Chlorophenyl)-N',N'-dimethylurea|N-(p-Chlorophenyl)-N',N'-dimethylurea|N-Dimethyl-N'-(4-chlorophenyl)urea|N-para-Chlorophenyl-N',N'-dimethylurea|N,N-Dimethyl-N'-(4-chlorophenyl)urea|N'-(4-Chlorophen https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020311 https://doi.org/10.22427/NTP-DATA-DTXSID0020311
ERPathway2016 ERPathway2016_1319 Monuron 150-68-5 DTXSID0020311 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C(=O)NC1=CC=C(Cl)C=C1 Monuron 150-68-5|Monuron|1-(4-Chloro phenyl)-3,3-dimethyluree|1-(4-Chlorophenyl)-3,3-dimethylurea|1-(p-Chlorophenyl)-3,3-dimethylurea|1-para-Chlorophenyl-3,3-dimethylurea|1,1-Dimethyl-3-(4-chlorophenyl)urea|1,1-Dimethyl-3-(p-chlorophenyl)thiourea|1,1-Dimethyl-3-(p-chlorophenyl)urea|1,1-Dimethyl-3-(para-chlorophenyl)urea|205-766-1|3-(4-Chloor-fenyl)-1,1-dimethylureum|3-(4-Chlor-phenyl)-1,1-dimethyl-harnstoff|3-(4-Chlorophenyl)-1,1-dimethylurea|3-(4-Cloro-fenil)-1,1-dimetil-urea|3-(p-Chlorophenyl)-1,1-dimethylurea|3-para-Chlorophenyl-1,1-dimethylurea|BRN 2097922|Caswell No. 583|Chlorea|Chlorfenidim|CMU|CMU Weedkiller|CNV Weed Killer|EC No.: 205-766-1|EINECS 205-766-1|EPA Pesticide Chemical Code 035501|Herbicides, monuron|Karmex Monuron Herbicide|Karmex W|Karmex W. monuron herbicide|Lirobetarex|Monurex|Monuroun|Monurox|Monuruon|Monuuron|N-(4-Chlorophenyl)-N',N'-dimethylurea|N-(p-Chlorophenyl)-N',N'-dimethylurea|N-Dimethyl-N'-(4-chlorophenyl)urea|N-para-Chlorophenyl-N',N'-dimethylurea|N,N-Dimethyl-N'-(4-chlorophenyl)urea|N'-(4-Chlorophen https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020311 https://doi.org/10.22427/NTP-DATA-DTXSID0020311
ERPathway2016 ERPathway2016_1319 Monuron 150-68-5 DTXSID0020311 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)C(=O)NC1=CC=C(Cl)C=C1 Monuron 150-68-5|Monuron|1-(4-Chloro phenyl)-3,3-dimethyluree|1-(4-Chlorophenyl)-3,3-dimethylurea|1-(p-Chlorophenyl)-3,3-dimethylurea|1-para-Chlorophenyl-3,3-dimethylurea|1,1-Dimethyl-3-(4-chlorophenyl)urea|1,1-Dimethyl-3-(p-chlorophenyl)thiourea|1,1-Dimethyl-3-(p-chlorophenyl)urea|1,1-Dimethyl-3-(para-chlorophenyl)urea|205-766-1|3-(4-Chloor-fenyl)-1,1-dimethylureum|3-(4-Chlor-phenyl)-1,1-dimethyl-harnstoff|3-(4-Chlorophenyl)-1,1-dimethylurea|3-(4-Cloro-fenil)-1,1-dimetil-urea|3-(p-Chlorophenyl)-1,1-dimethylurea|3-para-Chlorophenyl-1,1-dimethylurea|BRN 2097922|Caswell No. 583|Chlorea|Chlorfenidim|CMU|CMU Weedkiller|CNV Weed Killer|EC No.: 205-766-1|EINECS 205-766-1|EPA Pesticide Chemical Code 035501|Herbicides, monuron|Karmex Monuron Herbicide|Karmex W|Karmex W. monuron herbicide|Lirobetarex|Monurex|Monuroun|Monurox|Monuruon|Monuuron|N-(4-Chlorophenyl)-N',N'-dimethylurea|N-(p-Chlorophenyl)-N',N'-dimethylurea|N-Dimethyl-N'-(4-chlorophenyl)urea|N-para-Chlorophenyl-N',N'-dimethylurea|N,N-Dimethyl-N'-(4-chlorophenyl)urea|N'-(4-Chlorophen https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020311 https://doi.org/10.22427/NTP-DATA-DTXSID0020311
ARPathway2016 ARPathway2016_1450 Morin hydrate 654055-01-3 DTXSID3040776 1.0 A2 AR Pathway Model, Antagonist Model Score 0 Unitless O.O.OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Morin hydrate 654055-01-3|Morin hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate|Morinhydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040776
ARPathway2016 ARPathway2016_1450 Morin hydrate 654055-01-3 DTXSID3040776 1.0 A2 AR Pathway Model, Agonist Model Score 0 Unitless O.O.OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Morin hydrate 654055-01-3|Morin hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate|Morinhydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040776
ARPathway2016 ARPathway2016_1450 Morin hydrate 654055-01-3 DTXSID3040776 1.0 A2 AR Pathway Model, Agonist Call Inactive Unitless O.O.OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Morin hydrate 654055-01-3|Morin hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate|Morinhydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040776
ARPathway2016 ARPathway2016_1450 Morin hydrate 654055-01-3 DTXSID3040776 1.0 A2 AR Pathway Model, Antagonist Call Inactive Unitless O.O.OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Morin hydrate 654055-01-3|Morin hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate|Morinhydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040776
ERPathway2016 ERPathway2016_243 Morin hydrate 654055-01-3 DTXSID3040776 ER Pathway Model, Antagonist AC50 15.2031726808379 uM O.O.OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Morin hydrate 654055-01-3|Morin hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate|Morinhydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040776
ERPathway2016 ERPathway2016_243 Morin hydrate 654055-01-3 DTXSID3040776 ER Pathway Model, Antagonist ACC 5.28055523886835 uM O.O.OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Morin hydrate 654055-01-3|Morin hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate|Morinhydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040776
ERPathway2016 ERPathway2016_243 Morin hydrate 654055-01-3 DTXSID3040776 ER Pathway Model, Agonist Model Score 0.0898 Unitless O.O.OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Morin hydrate 654055-01-3|Morin hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate|Morinhydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040776
ERPathway2016 ERPathway2016_243 Morin hydrate 654055-01-3 DTXSID3040776 ER Pathway Model, Antagonist Model Score 0 Unitless O.O.OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Morin hydrate 654055-01-3|Morin hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate|Morinhydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040776
ERPathway2016 ERPathway2016_243 Morin hydrate 654055-01-3 DTXSID3040776 ER Pathway Model, Agonist Call Inactive Unitless O.O.OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Morin hydrate 654055-01-3|Morin hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate|Morinhydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040776
ERPathway2016 ERPathway2016_243 Morin hydrate 654055-01-3 DTXSID3040776 ER Pathway Model, Antagonist Call Active Unitless O.O.OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O Morin hydrate 654055-01-3|Morin hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate|2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate|Morinhydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID3040776
ARPathway2016 ARPathway2016_555 Morpholine 110-91-8 DTXSID2025688 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1COCCN1 Morpholine 110-91-8|Morpholine|1-Oxa-4-azacyclohexane|2H-1,4-Oxazine, tetrahydro-|4-27-00-00015|4H-1,4-Oxazine, tetrahydro-|BRN 0102549|Caswell No. 584|Diethylene imidoxide|Diethylene oximide|Diethyleneimide oxide|Diethylenimide oxide|Drewamine|EINECS 203-815-1|EPA Pesticide Chemical Code 054701|morfolina|Morpholin|MORPHOLINE TECH|NSC 9376|p-Isoxazine, tetrahydro-|TETRA-HYDRO-1,4-OXAZINE|Tetrahydro-1,4-isoxazine|TETRAHYDRO-1,4-OXAZINE|Tetrahydro-2H-1,4-oxazine|Tetrahydro-p-oxazine|UN 2054|UNII-8B2ZCK305O|147366-31-2|854893-20-2|88542-81-8|96122-95-1|99108-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025688 https://doi.org/10.22427/NTP-DATA-DTXSID2025688
ARPathway2016 ARPathway2016_555 Morpholine 110-91-8 DTXSID2025688 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1COCCN1 Morpholine 110-91-8|Morpholine|1-Oxa-4-azacyclohexane|2H-1,4-Oxazine, tetrahydro-|4-27-00-00015|4H-1,4-Oxazine, tetrahydro-|BRN 0102549|Caswell No. 584|Diethylene imidoxide|Diethylene oximide|Diethyleneimide oxide|Diethylenimide oxide|Drewamine|EINECS 203-815-1|EPA Pesticide Chemical Code 054701|morfolina|Morpholin|MORPHOLINE TECH|NSC 9376|p-Isoxazine, tetrahydro-|TETRA-HYDRO-1,4-OXAZINE|Tetrahydro-1,4-isoxazine|TETRAHYDRO-1,4-OXAZINE|Tetrahydro-2H-1,4-oxazine|Tetrahydro-p-oxazine|UN 2054|UNII-8B2ZCK305O|147366-31-2|854893-20-2|88542-81-8|96122-95-1|99108-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025688 https://doi.org/10.22427/NTP-DATA-DTXSID2025688
ARPathway2016 ARPathway2016_555 Morpholine 110-91-8 DTXSID2025688 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1COCCN1 Morpholine 110-91-8|Morpholine|1-Oxa-4-azacyclohexane|2H-1,4-Oxazine, tetrahydro-|4-27-00-00015|4H-1,4-Oxazine, tetrahydro-|BRN 0102549|Caswell No. 584|Diethylene imidoxide|Diethylene oximide|Diethyleneimide oxide|Diethylenimide oxide|Drewamine|EINECS 203-815-1|EPA Pesticide Chemical Code 054701|morfolina|Morpholin|MORPHOLINE TECH|NSC 9376|p-Isoxazine, tetrahydro-|TETRA-HYDRO-1,4-OXAZINE|Tetrahydro-1,4-isoxazine|TETRAHYDRO-1,4-OXAZINE|Tetrahydro-2H-1,4-oxazine|Tetrahydro-p-oxazine|UN 2054|UNII-8B2ZCK305O|147366-31-2|854893-20-2|88542-81-8|96122-95-1|99108-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025688 https://doi.org/10.22427/NTP-DATA-DTXSID2025688
ARPathway2016 ARPathway2016_555 Morpholine 110-91-8 DTXSID2025688 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1COCCN1 Morpholine 110-91-8|Morpholine|1-Oxa-4-azacyclohexane|2H-1,4-Oxazine, tetrahydro-|4-27-00-00015|4H-1,4-Oxazine, tetrahydro-|BRN 0102549|Caswell No. 584|Diethylene imidoxide|Diethylene oximide|Diethyleneimide oxide|Diethylenimide oxide|Drewamine|EINECS 203-815-1|EPA Pesticide Chemical Code 054701|morfolina|Morpholin|MORPHOLINE TECH|NSC 9376|p-Isoxazine, tetrahydro-|TETRA-HYDRO-1,4-OXAZINE|Tetrahydro-1,4-isoxazine|TETRAHYDRO-1,4-OXAZINE|Tetrahydro-2H-1,4-oxazine|Tetrahydro-p-oxazine|UN 2054|UNII-8B2ZCK305O|147366-31-2|854893-20-2|88542-81-8|96122-95-1|99108-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025688 https://doi.org/10.22427/NTP-DATA-DTXSID2025688
ERPathway2016 ERPathway2016_1142 Morpholine 110-91-8 DTXSID2025688 ER Pathway Model, Agonist Model Score 0 Unitless C1COCCN1 Morpholine 110-91-8|Morpholine|1-Oxa-4-azacyclohexane|2H-1,4-Oxazine, tetrahydro-|4-27-00-00015|4H-1,4-Oxazine, tetrahydro-|BRN 0102549|Caswell No. 584|Diethylene imidoxide|Diethylene oximide|Diethyleneimide oxide|Diethylenimide oxide|Drewamine|EINECS 203-815-1|EPA Pesticide Chemical Code 054701|morfolina|Morpholin|MORPHOLINE TECH|NSC 9376|p-Isoxazine, tetrahydro-|TETRA-HYDRO-1,4-OXAZINE|Tetrahydro-1,4-isoxazine|TETRAHYDRO-1,4-OXAZINE|Tetrahydro-2H-1,4-oxazine|Tetrahydro-p-oxazine|UN 2054|UNII-8B2ZCK305O|147366-31-2|854893-20-2|88542-81-8|96122-95-1|99108-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025688 https://doi.org/10.22427/NTP-DATA-DTXSID2025688
ERPathway2016 ERPathway2016_1142 Morpholine 110-91-8 DTXSID2025688 ER Pathway Model, Antagonist Model Score 0 Unitless C1COCCN1 Morpholine 110-91-8|Morpholine|1-Oxa-4-azacyclohexane|2H-1,4-Oxazine, tetrahydro-|4-27-00-00015|4H-1,4-Oxazine, tetrahydro-|BRN 0102549|Caswell No. 584|Diethylene imidoxide|Diethylene oximide|Diethyleneimide oxide|Diethylenimide oxide|Drewamine|EINECS 203-815-1|EPA Pesticide Chemical Code 054701|morfolina|Morpholin|MORPHOLINE TECH|NSC 9376|p-Isoxazine, tetrahydro-|TETRA-HYDRO-1,4-OXAZINE|Tetrahydro-1,4-isoxazine|TETRAHYDRO-1,4-OXAZINE|Tetrahydro-2H-1,4-oxazine|Tetrahydro-p-oxazine|UN 2054|UNII-8B2ZCK305O|147366-31-2|854893-20-2|88542-81-8|96122-95-1|99108-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025688 https://doi.org/10.22427/NTP-DATA-DTXSID2025688
ERPathway2016 ERPathway2016_1142 Morpholine 110-91-8 DTXSID2025688 ER Pathway Model, Agonist Call Inactive Unitless C1COCCN1 Morpholine 110-91-8|Morpholine|1-Oxa-4-azacyclohexane|2H-1,4-Oxazine, tetrahydro-|4-27-00-00015|4H-1,4-Oxazine, tetrahydro-|BRN 0102549|Caswell No. 584|Diethylene imidoxide|Diethylene oximide|Diethyleneimide oxide|Diethylenimide oxide|Drewamine|EINECS 203-815-1|EPA Pesticide Chemical Code 054701|morfolina|Morpholin|MORPHOLINE TECH|NSC 9376|p-Isoxazine, tetrahydro-|TETRA-HYDRO-1,4-OXAZINE|Tetrahydro-1,4-isoxazine|TETRAHYDRO-1,4-OXAZINE|Tetrahydro-2H-1,4-oxazine|Tetrahydro-p-oxazine|UN 2054|UNII-8B2ZCK305O|147366-31-2|854893-20-2|88542-81-8|96122-95-1|99108-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025688 https://doi.org/10.22427/NTP-DATA-DTXSID2025688
ERPathway2016 ERPathway2016_1142 Morpholine 110-91-8 DTXSID2025688 ER Pathway Model, Antagonist Call Inactive Unitless C1COCCN1 Morpholine 110-91-8|Morpholine|1-Oxa-4-azacyclohexane|2H-1,4-Oxazine, tetrahydro-|4-27-00-00015|4H-1,4-Oxazine, tetrahydro-|BRN 0102549|Caswell No. 584|Diethylene imidoxide|Diethylene oximide|Diethyleneimide oxide|Diethylenimide oxide|Drewamine|EINECS 203-815-1|EPA Pesticide Chemical Code 054701|morfolina|Morpholin|MORPHOLINE TECH|NSC 9376|p-Isoxazine, tetrahydro-|TETRA-HYDRO-1,4-OXAZINE|Tetrahydro-1,4-isoxazine|TETRAHYDRO-1,4-OXAZINE|Tetrahydro-2H-1,4-oxazine|Tetrahydro-p-oxazine|UN 2054|UNII-8B2ZCK305O|147366-31-2|854893-20-2|88542-81-8|96122-95-1|99108-56-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025688 https://doi.org/10.22427/NTP-DATA-DTXSID2025688
ARPathway2016 ARPathway2016_507 m-Xylene 108-38-3 DTXSID6026298 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=CC=C1 m-Xylene 108-38-3|m-Xylene|1,3-Dimethylbenzene|1,3-Dimethylbenzol|1,3-Xylene|3-Methyltoluene|3-xylene|Benzene, 1,3-dimethyl-|EINECS 203-576-3|m-Dimethylbenzene|m-Methyltoluene|m-xileno|m-xylol|Meta-Xylene|NSC 61769|UNII-O9XS864HTE|XYLENE, M- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026298 https://doi.org/10.22427/NTP-DATA-DTXSID6026298
ARPathway2016 ARPathway2016_507 m-Xylene 108-38-3 DTXSID6026298 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=CC=C1 m-Xylene 108-38-3|m-Xylene|1,3-Dimethylbenzene|1,3-Dimethylbenzol|1,3-Xylene|3-Methyltoluene|3-xylene|Benzene, 1,3-dimethyl-|EINECS 203-576-3|m-Dimethylbenzene|m-Methyltoluene|m-xileno|m-xylol|Meta-Xylene|NSC 61769|UNII-O9XS864HTE|XYLENE, M- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026298 https://doi.org/10.22427/NTP-DATA-DTXSID6026298
ARPathway2016 ARPathway2016_507 m-Xylene 108-38-3 DTXSID6026298 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=CC=C1 m-Xylene 108-38-3|m-Xylene|1,3-Dimethylbenzene|1,3-Dimethylbenzol|1,3-Xylene|3-Methyltoluene|3-xylene|Benzene, 1,3-dimethyl-|EINECS 203-576-3|m-Dimethylbenzene|m-Methyltoluene|m-xileno|m-xylol|Meta-Xylene|NSC 61769|UNII-O9XS864HTE|XYLENE, M- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026298 https://doi.org/10.22427/NTP-DATA-DTXSID6026298
ARPathway2016 ARPathway2016_507 m-Xylene 108-38-3 DTXSID6026298 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=CC=C1 m-Xylene 108-38-3|m-Xylene|1,3-Dimethylbenzene|1,3-Dimethylbenzol|1,3-Xylene|3-Methyltoluene|3-xylene|Benzene, 1,3-dimethyl-|EINECS 203-576-3|m-Dimethylbenzene|m-Methyltoluene|m-xileno|m-xylol|Meta-Xylene|NSC 61769|UNII-O9XS864HTE|XYLENE, M- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026298 https://doi.org/10.22427/NTP-DATA-DTXSID6026298
ERPathway2016 ERPathway2016_1109 m-Xylene 108-38-3 DTXSID6026298 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=CC=C1 m-Xylene 108-38-3|m-Xylene|1,3-Dimethylbenzene|1,3-Dimethylbenzol|1,3-Xylene|3-Methyltoluene|3-xylene|Benzene, 1,3-dimethyl-|EINECS 203-576-3|m-Dimethylbenzene|m-Methyltoluene|m-xileno|m-xylol|Meta-Xylene|NSC 61769|UNII-O9XS864HTE|XYLENE, M- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026298 https://doi.org/10.22427/NTP-DATA-DTXSID6026298
ERPathway2016 ERPathway2016_1109 m-Xylene 108-38-3 DTXSID6026298 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=CC=C1 m-Xylene 108-38-3|m-Xylene|1,3-Dimethylbenzene|1,3-Dimethylbenzol|1,3-Xylene|3-Methyltoluene|3-xylene|Benzene, 1,3-dimethyl-|EINECS 203-576-3|m-Dimethylbenzene|m-Methyltoluene|m-xileno|m-xylol|Meta-Xylene|NSC 61769|UNII-O9XS864HTE|XYLENE, M- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026298 https://doi.org/10.22427/NTP-DATA-DTXSID6026298
ERPathway2016 ERPathway2016_1109 m-Xylene 108-38-3 DTXSID6026298 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=CC=C1 m-Xylene 108-38-3|m-Xylene|1,3-Dimethylbenzene|1,3-Dimethylbenzol|1,3-Xylene|3-Methyltoluene|3-xylene|Benzene, 1,3-dimethyl-|EINECS 203-576-3|m-Dimethylbenzene|m-Methyltoluene|m-xileno|m-xylol|Meta-Xylene|NSC 61769|UNII-O9XS864HTE|XYLENE, M- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026298 https://doi.org/10.22427/NTP-DATA-DTXSID6026298
ERPathway2016 ERPathway2016_1109 m-Xylene 108-38-3 DTXSID6026298 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=CC=C1 m-Xylene 108-38-3|m-Xylene|1,3-Dimethylbenzene|1,3-Dimethylbenzol|1,3-Xylene|3-Methyltoluene|3-xylene|Benzene, 1,3-dimethyl-|EINECS 203-576-3|m-Dimethylbenzene|m-Methyltoluene|m-xileno|m-xylol|Meta-Xylene|NSC 61769|UNII-O9XS864HTE|XYLENE, M- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026298 https://doi.org/10.22427/NTP-DATA-DTXSID6026298
ARPathway2016 ARPathway2016_1681 Myclobutanil 88671-89-0 DTXSID8024315 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1 Myclobutanil 88671-89-0|Myclobutanil|(.+-.)-Myclobutanil|(+-)-Myclobutanil|(+/-)-Myclobutanil|1H-1,2,4-Triazole-1-propanenitrile, a-butyl-a-(4-chlorophenyl)-|2-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile|2-p-Chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile|alpha-Butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile|Caswell No. 723K|Deccotanil|Eagle|EPA Pesticide Chemical Code 128857|Formulation 32 (Myclobutanil)|Fungiben|HOE 39304F|Laredo 25EC|Laredo 25EW|MYC|Myclobutanil [a-Butyl-a-(4-chlorophenyl)-1.ITAL.H.-1,2,4-triazole-1-propanenitrile]|Mycloss Xtra|Nova|Nova (pesticide)|Nova 40W|Nu-Flow M|Rally|Rally 40 WP|Rally 40WSP|RH 3866|Spectracide Immunox Multi-Purpose Fungicide|Synthane 12E|Systhane|Systhane 12E|Systhane 40 W|Systhane 40W|Systhane 6 Flo|UNII-B6T1JTM6KZ|a-Butyl-a-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile|1135441-12-1|1256343-07-3|154144-93-1|205862-69-7|96281-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024315
ARPathway2016 ARPathway2016_1681 Myclobutanil 88671-89-0 DTXSID8024315 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1 Myclobutanil 88671-89-0|Myclobutanil|(.+-.)-Myclobutanil|(+-)-Myclobutanil|(+/-)-Myclobutanil|1H-1,2,4-Triazole-1-propanenitrile, a-butyl-a-(4-chlorophenyl)-|2-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile|2-p-Chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile|alpha-Butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile|Caswell No. 723K|Deccotanil|Eagle|EPA Pesticide Chemical Code 128857|Formulation 32 (Myclobutanil)|Fungiben|HOE 39304F|Laredo 25EC|Laredo 25EW|MYC|Myclobutanil [a-Butyl-a-(4-chlorophenyl)-1.ITAL.H.-1,2,4-triazole-1-propanenitrile]|Mycloss Xtra|Nova|Nova (pesticide)|Nova 40W|Nu-Flow M|Rally|Rally 40 WP|Rally 40WSP|RH 3866|Spectracide Immunox Multi-Purpose Fungicide|Synthane 12E|Systhane|Systhane 12E|Systhane 40 W|Systhane 40W|Systhane 6 Flo|UNII-B6T1JTM6KZ|a-Butyl-a-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile|1135441-12-1|1256343-07-3|154144-93-1|205862-69-7|96281-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024315
ARPathway2016 ARPathway2016_1681 Myclobutanil 88671-89-0 DTXSID8024315 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1 Myclobutanil 88671-89-0|Myclobutanil|(.+-.)-Myclobutanil|(+-)-Myclobutanil|(+/-)-Myclobutanil|1H-1,2,4-Triazole-1-propanenitrile, a-butyl-a-(4-chlorophenyl)-|2-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile|2-p-Chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile|alpha-Butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile|Caswell No. 723K|Deccotanil|Eagle|EPA Pesticide Chemical Code 128857|Formulation 32 (Myclobutanil)|Fungiben|HOE 39304F|Laredo 25EC|Laredo 25EW|MYC|Myclobutanil [a-Butyl-a-(4-chlorophenyl)-1.ITAL.H.-1,2,4-triazole-1-propanenitrile]|Mycloss Xtra|Nova|Nova (pesticide)|Nova 40W|Nu-Flow M|Rally|Rally 40 WP|Rally 40WSP|RH 3866|Spectracide Immunox Multi-Purpose Fungicide|Synthane 12E|Systhane|Systhane 12E|Systhane 40 W|Systhane 40W|Systhane 6 Flo|UNII-B6T1JTM6KZ|a-Butyl-a-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile|1135441-12-1|1256343-07-3|154144-93-1|205862-69-7|96281-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024315
ARPathway2016 ARPathway2016_1681 Myclobutanil 88671-89-0 DTXSID8024315 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1 Myclobutanil 88671-89-0|Myclobutanil|(.+-.)-Myclobutanil|(+-)-Myclobutanil|(+/-)-Myclobutanil|1H-1,2,4-Triazole-1-propanenitrile, a-butyl-a-(4-chlorophenyl)-|2-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile|2-p-Chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile|alpha-Butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile|Caswell No. 723K|Deccotanil|Eagle|EPA Pesticide Chemical Code 128857|Formulation 32 (Myclobutanil)|Fungiben|HOE 39304F|Laredo 25EC|Laredo 25EW|MYC|Myclobutanil [a-Butyl-a-(4-chlorophenyl)-1.ITAL.H.-1,2,4-triazole-1-propanenitrile]|Mycloss Xtra|Nova|Nova (pesticide)|Nova 40W|Nu-Flow M|Rally|Rally 40 WP|Rally 40WSP|RH 3866|Spectracide Immunox Multi-Purpose Fungicide|Synthane 12E|Systhane|Systhane 12E|Systhane 40 W|Systhane 40W|Systhane 6 Flo|UNII-B6T1JTM6KZ|a-Butyl-a-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile|1135441-12-1|1256343-07-3|154144-93-1|205862-69-7|96281-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024315
ERPathway2016 ERPathway2016_769 Myclobutanil 88671-89-0 DTXSID8024315 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1 Myclobutanil 88671-89-0|Myclobutanil|(.+-.)-Myclobutanil|(+-)-Myclobutanil|(+/-)-Myclobutanil|1H-1,2,4-Triazole-1-propanenitrile, a-butyl-a-(4-chlorophenyl)-|2-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile|2-p-Chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile|alpha-Butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile|Caswell No. 723K|Deccotanil|Eagle|EPA Pesticide Chemical Code 128857|Formulation 32 (Myclobutanil)|Fungiben|HOE 39304F|Laredo 25EC|Laredo 25EW|MYC|Myclobutanil [a-Butyl-a-(4-chlorophenyl)-1.ITAL.H.-1,2,4-triazole-1-propanenitrile]|Mycloss Xtra|Nova|Nova (pesticide)|Nova 40W|Nu-Flow M|Rally|Rally 40 WP|Rally 40WSP|RH 3866|Spectracide Immunox Multi-Purpose Fungicide|Synthane 12E|Systhane|Systhane 12E|Systhane 40 W|Systhane 40W|Systhane 6 Flo|UNII-B6T1JTM6KZ|a-Butyl-a-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile|1135441-12-1|1256343-07-3|154144-93-1|205862-69-7|96281-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024315
ERPathway2016 ERPathway2016_769 Myclobutanil 88671-89-0 DTXSID8024315 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1 Myclobutanil 88671-89-0|Myclobutanil|(.+-.)-Myclobutanil|(+-)-Myclobutanil|(+/-)-Myclobutanil|1H-1,2,4-Triazole-1-propanenitrile, a-butyl-a-(4-chlorophenyl)-|2-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile|2-p-Chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile|alpha-Butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile|Caswell No. 723K|Deccotanil|Eagle|EPA Pesticide Chemical Code 128857|Formulation 32 (Myclobutanil)|Fungiben|HOE 39304F|Laredo 25EC|Laredo 25EW|MYC|Myclobutanil [a-Butyl-a-(4-chlorophenyl)-1.ITAL.H.-1,2,4-triazole-1-propanenitrile]|Mycloss Xtra|Nova|Nova (pesticide)|Nova 40W|Nu-Flow M|Rally|Rally 40 WP|Rally 40WSP|RH 3866|Spectracide Immunox Multi-Purpose Fungicide|Synthane 12E|Systhane|Systhane 12E|Systhane 40 W|Systhane 40W|Systhane 6 Flo|UNII-B6T1JTM6KZ|a-Butyl-a-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile|1135441-12-1|1256343-07-3|154144-93-1|205862-69-7|96281-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024315
ERPathway2016 ERPathway2016_769 Myclobutanil 88671-89-0 DTXSID8024315 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1 Myclobutanil 88671-89-0|Myclobutanil|(.+-.)-Myclobutanil|(+-)-Myclobutanil|(+/-)-Myclobutanil|1H-1,2,4-Triazole-1-propanenitrile, a-butyl-a-(4-chlorophenyl)-|2-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile|2-p-Chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile|alpha-Butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile|Caswell No. 723K|Deccotanil|Eagle|EPA Pesticide Chemical Code 128857|Formulation 32 (Myclobutanil)|Fungiben|HOE 39304F|Laredo 25EC|Laredo 25EW|MYC|Myclobutanil [a-Butyl-a-(4-chlorophenyl)-1.ITAL.H.-1,2,4-triazole-1-propanenitrile]|Mycloss Xtra|Nova|Nova (pesticide)|Nova 40W|Nu-Flow M|Rally|Rally 40 WP|Rally 40WSP|RH 3866|Spectracide Immunox Multi-Purpose Fungicide|Synthane 12E|Systhane|Systhane 12E|Systhane 40 W|Systhane 40W|Systhane 6 Flo|UNII-B6T1JTM6KZ|a-Butyl-a-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile|1135441-12-1|1256343-07-3|154144-93-1|205862-69-7|96281-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024315
ERPathway2016 ERPathway2016_769 Myclobutanil 88671-89-0 DTXSID8024315 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1 Myclobutanil 88671-89-0|Myclobutanil|(.+-.)-Myclobutanil|(+-)-Myclobutanil|(+/-)-Myclobutanil|1H-1,2,4-Triazole-1-propanenitrile, a-butyl-a-(4-chlorophenyl)-|2-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile|2-p-Chlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile|alpha-Butyl-alpha-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile|Caswell No. 723K|Deccotanil|Eagle|EPA Pesticide Chemical Code 128857|Formulation 32 (Myclobutanil)|Fungiben|HOE 39304F|Laredo 25EC|Laredo 25EW|MYC|Myclobutanil [a-Butyl-a-(4-chlorophenyl)-1.ITAL.H.-1,2,4-triazole-1-propanenitrile]|Mycloss Xtra|Nova|Nova (pesticide)|Nova 40W|Nu-Flow M|Rally|Rally 40 WP|Rally 40WSP|RH 3866|Spectracide Immunox Multi-Purpose Fungicide|Synthane 12E|Systhane|Systhane 12E|Systhane 40 W|Systhane 40W|Systhane 6 Flo|UNII-B6T1JTM6KZ|a-Butyl-a-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile|1135441-12-1|1256343-07-3|154144-93-1|205862-69-7|96281-50-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024315
ARPathway2016 ARPathway2016_720 Myrcene 123-35-3 DTXSID6025692 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(=C)C=C Myrcene 123-35-3|Myrcene|1,6-Octadiene, 7-methyl-3-methylene-|2-Methyl-6-methylene-2,7-octadiene|3-Methylene-7-methyl-1, 6-octadiene|3-Methylene-7-methyl-1,6-octadiene|4-01-00-01108|7-Methyl-3-methylene-1,6-octadiene|7-Methyl-3-methylene-1,6-octadiene (beta -myrcene)|7-Methyl-3-methylene-1,6-octadiene (myrcene)|7-Methyl-3-methylene-octa-1,6-diene|7-methyl-3-methyleneocta-1,6-diene|7-Methyl-3-methyleneoctadiene-(1,6)|7-Methyl-3-methylenocta-1,6-dien|7-Methyl-3-methylenocta-1,6-diene|7-Methyl-3-methylideneocta-1,6-diene|7-metil-3-metilenocta-1,6-dieno|B-Geraniolene|b-Myrcene|beta -mircene|beta -myrcene|beta-Myrcene|BRN 1719990|EINECS 204-622-5|FEMA 2762|FEMA No. 2762|NSC 406264|UNII-3M39CZS25B|b-Geraniolene|b-Myrcene|2153-31-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025692 https://doi.org/10.22427/NTP-DATA-DTXSID6025692
ARPathway2016 ARPathway2016_720 Myrcene 123-35-3 DTXSID6025692 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(=C)C=C Myrcene 123-35-3|Myrcene|1,6-Octadiene, 7-methyl-3-methylene-|2-Methyl-6-methylene-2,7-octadiene|3-Methylene-7-methyl-1, 6-octadiene|3-Methylene-7-methyl-1,6-octadiene|4-01-00-01108|7-Methyl-3-methylene-1,6-octadiene|7-Methyl-3-methylene-1,6-octadiene (beta -myrcene)|7-Methyl-3-methylene-1,6-octadiene (myrcene)|7-Methyl-3-methylene-octa-1,6-diene|7-methyl-3-methyleneocta-1,6-diene|7-Methyl-3-methyleneoctadiene-(1,6)|7-Methyl-3-methylenocta-1,6-dien|7-Methyl-3-methylenocta-1,6-diene|7-Methyl-3-methylideneocta-1,6-diene|7-metil-3-metilenocta-1,6-dieno|B-Geraniolene|b-Myrcene|beta -mircene|beta -myrcene|beta-Myrcene|BRN 1719990|EINECS 204-622-5|FEMA 2762|FEMA No. 2762|NSC 406264|UNII-3M39CZS25B|b-Geraniolene|b-Myrcene|2153-31-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025692 https://doi.org/10.22427/NTP-DATA-DTXSID6025692
ARPathway2016 ARPathway2016_720 Myrcene 123-35-3 DTXSID6025692 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(=C)C=C Myrcene 123-35-3|Myrcene|1,6-Octadiene, 7-methyl-3-methylene-|2-Methyl-6-methylene-2,7-octadiene|3-Methylene-7-methyl-1, 6-octadiene|3-Methylene-7-methyl-1,6-octadiene|4-01-00-01108|7-Methyl-3-methylene-1,6-octadiene|7-Methyl-3-methylene-1,6-octadiene (beta -myrcene)|7-Methyl-3-methylene-1,6-octadiene (myrcene)|7-Methyl-3-methylene-octa-1,6-diene|7-methyl-3-methyleneocta-1,6-diene|7-Methyl-3-methyleneoctadiene-(1,6)|7-Methyl-3-methylenocta-1,6-dien|7-Methyl-3-methylenocta-1,6-diene|7-Methyl-3-methylideneocta-1,6-diene|7-metil-3-metilenocta-1,6-dieno|B-Geraniolene|b-Myrcene|beta -mircene|beta -myrcene|beta-Myrcene|BRN 1719990|EINECS 204-622-5|FEMA 2762|FEMA No. 2762|NSC 406264|UNII-3M39CZS25B|b-Geraniolene|b-Myrcene|2153-31-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025692 https://doi.org/10.22427/NTP-DATA-DTXSID6025692
ARPathway2016 ARPathway2016_720 Myrcene 123-35-3 DTXSID6025692 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(=C)C=C Myrcene 123-35-3|Myrcene|1,6-Octadiene, 7-methyl-3-methylene-|2-Methyl-6-methylene-2,7-octadiene|3-Methylene-7-methyl-1, 6-octadiene|3-Methylene-7-methyl-1,6-octadiene|4-01-00-01108|7-Methyl-3-methylene-1,6-octadiene|7-Methyl-3-methylene-1,6-octadiene (beta -myrcene)|7-Methyl-3-methylene-1,6-octadiene (myrcene)|7-Methyl-3-methylene-octa-1,6-diene|7-methyl-3-methyleneocta-1,6-diene|7-Methyl-3-methyleneoctadiene-(1,6)|7-Methyl-3-methylenocta-1,6-dien|7-Methyl-3-methylenocta-1,6-diene|7-Methyl-3-methylideneocta-1,6-diene|7-metil-3-metilenocta-1,6-dieno|B-Geraniolene|b-Myrcene|beta -mircene|beta -myrcene|beta-Myrcene|BRN 1719990|EINECS 204-622-5|FEMA 2762|FEMA No. 2762|NSC 406264|UNII-3M39CZS25B|b-Geraniolene|b-Myrcene|2153-31-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025692 https://doi.org/10.22427/NTP-DATA-DTXSID6025692
ERPathway2016 ERPathway2016_1235 Myrcene 123-35-3 DTXSID6025692 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(=C)C=C Myrcene 123-35-3|Myrcene|1,6-Octadiene, 7-methyl-3-methylene-|2-Methyl-6-methylene-2,7-octadiene|3-Methylene-7-methyl-1, 6-octadiene|3-Methylene-7-methyl-1,6-octadiene|4-01-00-01108|7-Methyl-3-methylene-1,6-octadiene|7-Methyl-3-methylene-1,6-octadiene (beta -myrcene)|7-Methyl-3-methylene-1,6-octadiene (myrcene)|7-Methyl-3-methylene-octa-1,6-diene|7-methyl-3-methyleneocta-1,6-diene|7-Methyl-3-methyleneoctadiene-(1,6)|7-Methyl-3-methylenocta-1,6-dien|7-Methyl-3-methylenocta-1,6-diene|7-Methyl-3-methylideneocta-1,6-diene|7-metil-3-metilenocta-1,6-dieno|B-Geraniolene|b-Myrcene|beta -mircene|beta -myrcene|beta-Myrcene|BRN 1719990|EINECS 204-622-5|FEMA 2762|FEMA No. 2762|NSC 406264|UNII-3M39CZS25B|b-Geraniolene|b-Myrcene|2153-31-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025692 https://doi.org/10.22427/NTP-DATA-DTXSID6025692
ERPathway2016 ERPathway2016_1235 Myrcene 123-35-3 DTXSID6025692 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(=C)C=C Myrcene 123-35-3|Myrcene|1,6-Octadiene, 7-methyl-3-methylene-|2-Methyl-6-methylene-2,7-octadiene|3-Methylene-7-methyl-1, 6-octadiene|3-Methylene-7-methyl-1,6-octadiene|4-01-00-01108|7-Methyl-3-methylene-1,6-octadiene|7-Methyl-3-methylene-1,6-octadiene (beta -myrcene)|7-Methyl-3-methylene-1,6-octadiene (myrcene)|7-Methyl-3-methylene-octa-1,6-diene|7-methyl-3-methyleneocta-1,6-diene|7-Methyl-3-methyleneoctadiene-(1,6)|7-Methyl-3-methylenocta-1,6-dien|7-Methyl-3-methylenocta-1,6-diene|7-Methyl-3-methylideneocta-1,6-diene|7-metil-3-metilenocta-1,6-dieno|B-Geraniolene|b-Myrcene|beta -mircene|beta -myrcene|beta-Myrcene|BRN 1719990|EINECS 204-622-5|FEMA 2762|FEMA No. 2762|NSC 406264|UNII-3M39CZS25B|b-Geraniolene|b-Myrcene|2153-31-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025692 https://doi.org/10.22427/NTP-DATA-DTXSID6025692
ERPathway2016 ERPathway2016_1235 Myrcene 123-35-3 DTXSID6025692 ER Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(=C)C=C Myrcene 123-35-3|Myrcene|1,6-Octadiene, 7-methyl-3-methylene-|2-Methyl-6-methylene-2,7-octadiene|3-Methylene-7-methyl-1, 6-octadiene|3-Methylene-7-methyl-1,6-octadiene|4-01-00-01108|7-Methyl-3-methylene-1,6-octadiene|7-Methyl-3-methylene-1,6-octadiene (beta -myrcene)|7-Methyl-3-methylene-1,6-octadiene (myrcene)|7-Methyl-3-methylene-octa-1,6-diene|7-methyl-3-methyleneocta-1,6-diene|7-Methyl-3-methyleneoctadiene-(1,6)|7-Methyl-3-methylenocta-1,6-dien|7-Methyl-3-methylenocta-1,6-diene|7-Methyl-3-methylideneocta-1,6-diene|7-metil-3-metilenocta-1,6-dieno|B-Geraniolene|b-Myrcene|beta -mircene|beta -myrcene|beta-Myrcene|BRN 1719990|EINECS 204-622-5|FEMA 2762|FEMA No. 2762|NSC 406264|UNII-3M39CZS25B|b-Geraniolene|b-Myrcene|2153-31-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025692 https://doi.org/10.22427/NTP-DATA-DTXSID6025692
ERPathway2016 ERPathway2016_1235 Myrcene 123-35-3 DTXSID6025692 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(=C)C=C Myrcene 123-35-3|Myrcene|1,6-Octadiene, 7-methyl-3-methylene-|2-Methyl-6-methylene-2,7-octadiene|3-Methylene-7-methyl-1, 6-octadiene|3-Methylene-7-methyl-1,6-octadiene|4-01-00-01108|7-Methyl-3-methylene-1,6-octadiene|7-Methyl-3-methylene-1,6-octadiene (beta -myrcene)|7-Methyl-3-methylene-1,6-octadiene (myrcene)|7-Methyl-3-methylene-octa-1,6-diene|7-methyl-3-methyleneocta-1,6-diene|7-Methyl-3-methyleneoctadiene-(1,6)|7-Methyl-3-methylenocta-1,6-dien|7-Methyl-3-methylenocta-1,6-diene|7-Methyl-3-methylideneocta-1,6-diene|7-metil-3-metilenocta-1,6-dieno|B-Geraniolene|b-Myrcene|beta -mircene|beta -myrcene|beta-Myrcene|BRN 1719990|EINECS 204-622-5|FEMA 2762|FEMA No. 2762|NSC 406264|UNII-3M39CZS25B|b-Geraniolene|b-Myrcene|2153-31-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6025692 https://doi.org/10.22427/NTP-DATA-DTXSID6025692
ARPathway2016 ARPathway2016_177 Myristyltrimethylammonium chloride 4574-04-3 DTXSID9041289 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 9.649530966 uM [Cl-].CCCCCCCCCCCCCC[N+](C)(C)C Myristyltrimethylammonium chloride 4574-04-3|Myristyltrimethylammonium chloride|1-Tetradecanaminium, N,N,N-trimethyl-, chloride|EINECS 224-958-6|N,N,N-Trimethyl-1-tetradecanaminium chloride|N,N,N-Trimethyltetradecan-1-aminium chloride|NSC 61371|Tetradecyltrimethylammonium chloride|Trimethyltetradecylammonium chloride|UNII-RMV7NJU3FX https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041289
ARPathway2016 ARPathway2016_177 Myristyltrimethylammonium chloride 4574-04-3 DTXSID9041289 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 8.274787841 uM [Cl-].CCCCCCCCCCCCCC[N+](C)(C)C Myristyltrimethylammonium chloride 4574-04-3|Myristyltrimethylammonium chloride|1-Tetradecanaminium, N,N,N-trimethyl-, chloride|EINECS 224-958-6|N,N,N-Trimethyl-1-tetradecanaminium chloride|N,N,N-Trimethyltetradecan-1-aminium chloride|NSC 61371|Tetradecyltrimethylammonium chloride|Trimethyltetradecylammonium chloride|UNII-RMV7NJU3FX https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041289
ARPathway2016 ARPathway2016_177 Myristyltrimethylammonium chloride 4574-04-3 DTXSID9041289 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.4 Unitless [Cl-].CCCCCCCCCCCCCC[N+](C)(C)C Myristyltrimethylammonium chloride 4574-04-3|Myristyltrimethylammonium chloride|1-Tetradecanaminium, N,N,N-trimethyl-, chloride|EINECS 224-958-6|N,N,N-Trimethyl-1-tetradecanaminium chloride|N,N,N-Trimethyltetradecan-1-aminium chloride|NSC 61371|Tetradecyltrimethylammonium chloride|Trimethyltetradecylammonium chloride|UNII-RMV7NJU3FX https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041289
ARPathway2016 ARPathway2016_177 Myristyltrimethylammonium chloride 4574-04-3 DTXSID9041289 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [Cl-].CCCCCCCCCCCCCC[N+](C)(C)C Myristyltrimethylammonium chloride 4574-04-3|Myristyltrimethylammonium chloride|1-Tetradecanaminium, N,N,N-trimethyl-, chloride|EINECS 224-958-6|N,N,N-Trimethyl-1-tetradecanaminium chloride|N,N,N-Trimethyltetradecan-1-aminium chloride|NSC 61371|Tetradecyltrimethylammonium chloride|Trimethyltetradecylammonium chloride|UNII-RMV7NJU3FX https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041289
ARPathway2016 ARPathway2016_177 Myristyltrimethylammonium chloride 4574-04-3 DTXSID9041289 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Cl-].CCCCCCCCCCCCCC[N+](C)(C)C Myristyltrimethylammonium chloride 4574-04-3|Myristyltrimethylammonium chloride|1-Tetradecanaminium, N,N,N-trimethyl-, chloride|EINECS 224-958-6|N,N,N-Trimethyl-1-tetradecanaminium chloride|N,N,N-Trimethyltetradecan-1-aminium chloride|NSC 61371|Tetradecyltrimethylammonium chloride|Trimethyltetradecylammonium chloride|UNII-RMV7NJU3FX https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041289
ARPathway2016 ARPathway2016_177 Myristyltrimethylammonium chloride 4574-04-3 DTXSID9041289 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].CCCCCCCCCCCCCC[N+](C)(C)C Myristyltrimethylammonium chloride 4574-04-3|Myristyltrimethylammonium chloride|1-Tetradecanaminium, N,N,N-trimethyl-, chloride|EINECS 224-958-6|N,N,N-Trimethyl-1-tetradecanaminium chloride|N,N,N-Trimethyltetradecan-1-aminium chloride|NSC 61371|Tetradecyltrimethylammonium chloride|Trimethyltetradecylammonium chloride|UNII-RMV7NJU3FX https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041289
ERPathway2016 ERPathway2016_29 Myristyltrimethylammonium chloride 4574-04-3 DTXSID9041289 R8 ER Pathway Model, Agonist AC50 40.9209515762245 uM [Cl-].CCCCCCCCCCCCCC[N+](C)(C)C Myristyltrimethylammonium chloride 4574-04-3|Myristyltrimethylammonium chloride|1-Tetradecanaminium, N,N,N-trimethyl-, chloride|EINECS 224-958-6|N,N,N-Trimethyl-1-tetradecanaminium chloride|N,N,N-Trimethyltetradecan-1-aminium chloride|NSC 61371|Tetradecyltrimethylammonium chloride|Trimethyltetradecylammonium chloride|UNII-RMV7NJU3FX https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041289
ERPathway2016 ERPathway2016_29 Myristyltrimethylammonium chloride 4574-04-3 DTXSID9041289 R8 ER Pathway Model, Agonist ACC 26.523066390315 uM [Cl-].CCCCCCCCCCCCCC[N+](C)(C)C Myristyltrimethylammonium chloride 4574-04-3|Myristyltrimethylammonium chloride|1-Tetradecanaminium, N,N,N-trimethyl-, chloride|EINECS 224-958-6|N,N,N-Trimethyl-1-tetradecanaminium chloride|N,N,N-Trimethyltetradecan-1-aminium chloride|NSC 61371|Tetradecyltrimethylammonium chloride|Trimethyltetradecylammonium chloride|UNII-RMV7NJU3FX https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041289
ERPathway2016 ERPathway2016_29 Myristyltrimethylammonium chloride 4574-04-3 DTXSID9041289 R8 ER Pathway Model, Agonist Model Score 0.0071 Unitless [Cl-].CCCCCCCCCCCCCC[N+](C)(C)C Myristyltrimethylammonium chloride 4574-04-3|Myristyltrimethylammonium chloride|1-Tetradecanaminium, N,N,N-trimethyl-, chloride|EINECS 224-958-6|N,N,N-Trimethyl-1-tetradecanaminium chloride|N,N,N-Trimethyltetradecan-1-aminium chloride|NSC 61371|Tetradecyltrimethylammonium chloride|Trimethyltetradecylammonium chloride|UNII-RMV7NJU3FX https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041289
ERPathway2016 ERPathway2016_29 Myristyltrimethylammonium chloride 4574-04-3 DTXSID9041289 R8 ER Pathway Model, Antagonist Model Score 0.0166 Unitless [Cl-].CCCCCCCCCCCCCC[N+](C)(C)C Myristyltrimethylammonium chloride 4574-04-3|Myristyltrimethylammonium chloride|1-Tetradecanaminium, N,N,N-trimethyl-, chloride|EINECS 224-958-6|N,N,N-Trimethyl-1-tetradecanaminium chloride|N,N,N-Trimethyltetradecan-1-aminium chloride|NSC 61371|Tetradecyltrimethylammonium chloride|Trimethyltetradecylammonium chloride|UNII-RMV7NJU3FX https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041289
ERPathway2016 ERPathway2016_29 Myristyltrimethylammonium chloride 4574-04-3 DTXSID9041289 R8 ER Pathway Model, Agonist Call Active Unitless [Cl-].CCCCCCCCCCCCCC[N+](C)(C)C Myristyltrimethylammonium chloride 4574-04-3|Myristyltrimethylammonium chloride|1-Tetradecanaminium, N,N,N-trimethyl-, chloride|EINECS 224-958-6|N,N,N-Trimethyl-1-tetradecanaminium chloride|N,N,N-Trimethyltetradecan-1-aminium chloride|NSC 61371|Tetradecyltrimethylammonium chloride|Trimethyltetradecylammonium chloride|UNII-RMV7NJU3FX https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041289
ERPathway2016 ERPathway2016_29 Myristyltrimethylammonium chloride 4574-04-3 DTXSID9041289 R8 ER Pathway Model, Antagonist Call Inactive Unitless [Cl-].CCCCCCCCCCCCCC[N+](C)(C)C Myristyltrimethylammonium chloride 4574-04-3|Myristyltrimethylammonium chloride|1-Tetradecanaminium, N,N,N-trimethyl-, chloride|EINECS 224-958-6|N,N,N-Trimethyl-1-tetradecanaminium chloride|N,N,N-Trimethyltetradecan-1-aminium chloride|NSC 61371|Tetradecyltrimethylammonium chloride|Trimethyltetradecylammonium chloride|UNII-RMV7NJU3FX https://comptox.epa.gov/dashboard/chemical/details/DTXSID9041289
ARPathway2016 ARPathway2016_258 N-(3,4-Dichlorophenyl)propanamide 709-98-8 DTXSID8022111 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 18.62024246 uM CCC(=O)NC1=CC=C(Cl)C(Cl)=C1 N-(3,4-Dichlorophenyl)propanamide 709-98-8|N-(3,4-Dichlorophenyl)propanamide|3,4-Dichloranilid kyseliny propionove|3,4-Dichloropropionanilide|3',4'-Dichlorophenylpropionanilide|3',4'-Dichloropropionanilide|Bayer 30 130|BRN 2365645|Caswell No. 325|Cekupropanil|Chem Rice|Chem-Rice|Crystal propanil-4|Dichloropropionanilide|Drexel Prop-Job|EINECS 211-914-6|EPA Pesticide Chemical Code 028201|Erbanil|Farmco propanil|Formulation 38 (N-(3,4-dichlorophenyl)propanamide)|Grascide|Herbax LV-30|Herbax technical|Montrose propanil|N-(3,4-Dichlorophenyl)propanamide|N-(3,4-Dichlorophenyl)propionamide|NSC 31312|Prop Job|Prop-Job|Propagrin 36|Propanamide, N-(3,4-dichlorophenyl)-|Propanex|Propanid|Propanide|Propanil|Propanilo|Propasint|Propionanilide, 3',4'-dichloro-|Propionic acid 3,4-dichloroanilide|Propionic acid-3,4-dichloroanilide|Riselect|Riverside propanil 60DF|Rosanil|Stam|Stam Novel Flo 480|Stam supernox|Stampede|Stampede 360|Stampede 3E|Supernox|Surcopur|Synpran N|UNII-F57I4G0520|Vertac Propanil 3|Vertac Propanil 4|Wham EZ|110343-36-7|11096-32-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022111
ARPathway2016 ARPathway2016_258 N-(3,4-Dichlorophenyl)propanamide 709-98-8 DTXSID8022111 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 23.33316107 uM CCC(=O)NC1=CC=C(Cl)C(Cl)=C1 N-(3,4-Dichlorophenyl)propanamide 709-98-8|N-(3,4-Dichlorophenyl)propanamide|3,4-Dichloranilid kyseliny propionove|3,4-Dichloropropionanilide|3',4'-Dichlorophenylpropionanilide|3',4'-Dichloropropionanilide|Bayer 30 130|BRN 2365645|Caswell No. 325|Cekupropanil|Chem Rice|Chem-Rice|Crystal propanil-4|Dichloropropionanilide|Drexel Prop-Job|EINECS 211-914-6|EPA Pesticide Chemical Code 028201|Erbanil|Farmco propanil|Formulation 38 (N-(3,4-dichlorophenyl)propanamide)|Grascide|Herbax LV-30|Herbax technical|Montrose propanil|N-(3,4-Dichlorophenyl)propanamide|N-(3,4-Dichlorophenyl)propionamide|NSC 31312|Prop Job|Prop-Job|Propagrin 36|Propanamide, N-(3,4-dichlorophenyl)-|Propanex|Propanid|Propanide|Propanil|Propanilo|Propasint|Propionanilide, 3',4'-dichloro-|Propionic acid 3,4-dichloroanilide|Propionic acid-3,4-dichloroanilide|Riselect|Riverside propanil 60DF|Rosanil|Stam|Stam Novel Flo 480|Stam supernox|Stampede|Stampede 360|Stampede 3E|Supernox|Surcopur|Synpran N|UNII-F57I4G0520|Vertac Propanil 3|Vertac Propanil 4|Wham EZ|110343-36-7|11096-32-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022111
ARPathway2016 ARPathway2016_258 N-(3,4-Dichlorophenyl)propanamide 709-98-8 DTXSID8022111 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.341 Unitless CCC(=O)NC1=CC=C(Cl)C(Cl)=C1 N-(3,4-Dichlorophenyl)propanamide 709-98-8|N-(3,4-Dichlorophenyl)propanamide|3,4-Dichloranilid kyseliny propionove|3,4-Dichloropropionanilide|3',4'-Dichlorophenylpropionanilide|3',4'-Dichloropropionanilide|Bayer 30 130|BRN 2365645|Caswell No. 325|Cekupropanil|Chem Rice|Chem-Rice|Crystal propanil-4|Dichloropropionanilide|Drexel Prop-Job|EINECS 211-914-6|EPA Pesticide Chemical Code 028201|Erbanil|Farmco propanil|Formulation 38 (N-(3,4-dichlorophenyl)propanamide)|Grascide|Herbax LV-30|Herbax technical|Montrose propanil|N-(3,4-Dichlorophenyl)propanamide|N-(3,4-Dichlorophenyl)propionamide|NSC 31312|Prop Job|Prop-Job|Propagrin 36|Propanamide, N-(3,4-dichlorophenyl)-|Propanex|Propanid|Propanide|Propanil|Propanilo|Propasint|Propionanilide, 3',4'-dichloro-|Propionic acid 3,4-dichloroanilide|Propionic acid-3,4-dichloroanilide|Riselect|Riverside propanil 60DF|Rosanil|Stam|Stam Novel Flo 480|Stam supernox|Stampede|Stampede 360|Stampede 3E|Supernox|Surcopur|Synpran N|UNII-F57I4G0520|Vertac Propanil 3|Vertac Propanil 4|Wham EZ|110343-36-7|11096-32-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022111
ARPathway2016 ARPathway2016_258 N-(3,4-Dichlorophenyl)propanamide 709-98-8 DTXSID8022111 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCC(=O)NC1=CC=C(Cl)C(Cl)=C1 N-(3,4-Dichlorophenyl)propanamide 709-98-8|N-(3,4-Dichlorophenyl)propanamide|3,4-Dichloranilid kyseliny propionove|3,4-Dichloropropionanilide|3',4'-Dichlorophenylpropionanilide|3',4'-Dichloropropionanilide|Bayer 30 130|BRN 2365645|Caswell No. 325|Cekupropanil|Chem Rice|Chem-Rice|Crystal propanil-4|Dichloropropionanilide|Drexel Prop-Job|EINECS 211-914-6|EPA Pesticide Chemical Code 028201|Erbanil|Farmco propanil|Formulation 38 (N-(3,4-dichlorophenyl)propanamide)|Grascide|Herbax LV-30|Herbax technical|Montrose propanil|N-(3,4-Dichlorophenyl)propanamide|N-(3,4-Dichlorophenyl)propionamide|NSC 31312|Prop Job|Prop-Job|Propagrin 36|Propanamide, N-(3,4-dichlorophenyl)-|Propanex|Propanid|Propanide|Propanil|Propanilo|Propasint|Propionanilide, 3',4'-dichloro-|Propionic acid 3,4-dichloroanilide|Propionic acid-3,4-dichloroanilide|Riselect|Riverside propanil 60DF|Rosanil|Stam|Stam Novel Flo 480|Stam supernox|Stampede|Stampede 360|Stampede 3E|Supernox|Surcopur|Synpran N|UNII-F57I4G0520|Vertac Propanil 3|Vertac Propanil 4|Wham EZ|110343-36-7|11096-32-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022111
ARPathway2016 ARPathway2016_258 N-(3,4-Dichlorophenyl)propanamide 709-98-8 DTXSID8022111 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCC(=O)NC1=CC=C(Cl)C(Cl)=C1 N-(3,4-Dichlorophenyl)propanamide 709-98-8|N-(3,4-Dichlorophenyl)propanamide|3,4-Dichloranilid kyseliny propionove|3,4-Dichloropropionanilide|3',4'-Dichlorophenylpropionanilide|3',4'-Dichloropropionanilide|Bayer 30 130|BRN 2365645|Caswell No. 325|Cekupropanil|Chem Rice|Chem-Rice|Crystal propanil-4|Dichloropropionanilide|Drexel Prop-Job|EINECS 211-914-6|EPA Pesticide Chemical Code 028201|Erbanil|Farmco propanil|Formulation 38 (N-(3,4-dichlorophenyl)propanamide)|Grascide|Herbax LV-30|Herbax technical|Montrose propanil|N-(3,4-Dichlorophenyl)propanamide|N-(3,4-Dichlorophenyl)propionamide|NSC 31312|Prop Job|Prop-Job|Propagrin 36|Propanamide, N-(3,4-dichlorophenyl)-|Propanex|Propanid|Propanide|Propanil|Propanilo|Propasint|Propionanilide, 3',4'-dichloro-|Propionic acid 3,4-dichloroanilide|Propionic acid-3,4-dichloroanilide|Riselect|Riverside propanil 60DF|Rosanil|Stam|Stam Novel Flo 480|Stam supernox|Stampede|Stampede 360|Stampede 3E|Supernox|Surcopur|Synpran N|UNII-F57I4G0520|Vertac Propanil 3|Vertac Propanil 4|Wham EZ|110343-36-7|11096-32-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022111
ARPathway2016 ARPathway2016_258 N-(3,4-Dichlorophenyl)propanamide 709-98-8 DTXSID8022111 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCC(=O)NC1=CC=C(Cl)C(Cl)=C1 N-(3,4-Dichlorophenyl)propanamide 709-98-8|N-(3,4-Dichlorophenyl)propanamide|3,4-Dichloranilid kyseliny propionove|3,4-Dichloropropionanilide|3',4'-Dichlorophenylpropionanilide|3',4'-Dichloropropionanilide|Bayer 30 130|BRN 2365645|Caswell No. 325|Cekupropanil|Chem Rice|Chem-Rice|Crystal propanil-4|Dichloropropionanilide|Drexel Prop-Job|EINECS 211-914-6|EPA Pesticide Chemical Code 028201|Erbanil|Farmco propanil|Formulation 38 (N-(3,4-dichlorophenyl)propanamide)|Grascide|Herbax LV-30|Herbax technical|Montrose propanil|N-(3,4-Dichlorophenyl)propanamide|N-(3,4-Dichlorophenyl)propionamide|NSC 31312|Prop Job|Prop-Job|Propagrin 36|Propanamide, N-(3,4-dichlorophenyl)-|Propanex|Propanid|Propanide|Propanil|Propanilo|Propasint|Propionanilide, 3',4'-dichloro-|Propionic acid 3,4-dichloroanilide|Propionic acid-3,4-dichloroanilide|Riselect|Riverside propanil 60DF|Rosanil|Stam|Stam Novel Flo 480|Stam supernox|Stampede|Stampede 360|Stampede 3E|Supernox|Surcopur|Synpran N|UNII-F57I4G0520|Vertac Propanil 3|Vertac Propanil 4|Wham EZ|110343-36-7|11096-32-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022111
ERPathway2016 ERPathway2016_672 N-(3,4-Dichlorophenyl)propanamide 709-98-8 DTXSID8022111 ER Pathway Model, Agonist Model Score 0 Unitless CCC(=O)NC1=CC=C(Cl)C(Cl)=C1 N-(3,4-Dichlorophenyl)propanamide 709-98-8|N-(3,4-Dichlorophenyl)propanamide|3,4-Dichloranilid kyseliny propionove|3,4-Dichloropropionanilide|3',4'-Dichlorophenylpropionanilide|3',4'-Dichloropropionanilide|Bayer 30 130|BRN 2365645|Caswell No. 325|Cekupropanil|Chem Rice|Chem-Rice|Crystal propanil-4|Dichloropropionanilide|Drexel Prop-Job|EINECS 211-914-6|EPA Pesticide Chemical Code 028201|Erbanil|Farmco propanil|Formulation 38 (N-(3,4-dichlorophenyl)propanamide)|Grascide|Herbax LV-30|Herbax technical|Montrose propanil|N-(3,4-Dichlorophenyl)propanamide|N-(3,4-Dichlorophenyl)propionamide|NSC 31312|Prop Job|Prop-Job|Propagrin 36|Propanamide, N-(3,4-dichlorophenyl)-|Propanex|Propanid|Propanide|Propanil|Propanilo|Propasint|Propionanilide, 3',4'-dichloro-|Propionic acid 3,4-dichloroanilide|Propionic acid-3,4-dichloroanilide|Riselect|Riverside propanil 60DF|Rosanil|Stam|Stam Novel Flo 480|Stam supernox|Stampede|Stampede 360|Stampede 3E|Supernox|Surcopur|Synpran N|UNII-F57I4G0520|Vertac Propanil 3|Vertac Propanil 4|Wham EZ|110343-36-7|11096-32-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022111
ERPathway2016 ERPathway2016_672 N-(3,4-Dichlorophenyl)propanamide 709-98-8 DTXSID8022111 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(=O)NC1=CC=C(Cl)C(Cl)=C1 N-(3,4-Dichlorophenyl)propanamide 709-98-8|N-(3,4-Dichlorophenyl)propanamide|3,4-Dichloranilid kyseliny propionove|3,4-Dichloropropionanilide|3',4'-Dichlorophenylpropionanilide|3',4'-Dichloropropionanilide|Bayer 30 130|BRN 2365645|Caswell No. 325|Cekupropanil|Chem Rice|Chem-Rice|Crystal propanil-4|Dichloropropionanilide|Drexel Prop-Job|EINECS 211-914-6|EPA Pesticide Chemical Code 028201|Erbanil|Farmco propanil|Formulation 38 (N-(3,4-dichlorophenyl)propanamide)|Grascide|Herbax LV-30|Herbax technical|Montrose propanil|N-(3,4-Dichlorophenyl)propanamide|N-(3,4-Dichlorophenyl)propionamide|NSC 31312|Prop Job|Prop-Job|Propagrin 36|Propanamide, N-(3,4-dichlorophenyl)-|Propanex|Propanid|Propanide|Propanil|Propanilo|Propasint|Propionanilide, 3',4'-dichloro-|Propionic acid 3,4-dichloroanilide|Propionic acid-3,4-dichloroanilide|Riselect|Riverside propanil 60DF|Rosanil|Stam|Stam Novel Flo 480|Stam supernox|Stampede|Stampede 360|Stampede 3E|Supernox|Surcopur|Synpran N|UNII-F57I4G0520|Vertac Propanil 3|Vertac Propanil 4|Wham EZ|110343-36-7|11096-32-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022111
ERPathway2016 ERPathway2016_672 N-(3,4-Dichlorophenyl)propanamide 709-98-8 DTXSID8022111 ER Pathway Model, Agonist Call Inactive Unitless CCC(=O)NC1=CC=C(Cl)C(Cl)=C1 N-(3,4-Dichlorophenyl)propanamide 709-98-8|N-(3,4-Dichlorophenyl)propanamide|3,4-Dichloranilid kyseliny propionove|3,4-Dichloropropionanilide|3',4'-Dichlorophenylpropionanilide|3',4'-Dichloropropionanilide|Bayer 30 130|BRN 2365645|Caswell No. 325|Cekupropanil|Chem Rice|Chem-Rice|Crystal propanil-4|Dichloropropionanilide|Drexel Prop-Job|EINECS 211-914-6|EPA Pesticide Chemical Code 028201|Erbanil|Farmco propanil|Formulation 38 (N-(3,4-dichlorophenyl)propanamide)|Grascide|Herbax LV-30|Herbax technical|Montrose propanil|N-(3,4-Dichlorophenyl)propanamide|N-(3,4-Dichlorophenyl)propionamide|NSC 31312|Prop Job|Prop-Job|Propagrin 36|Propanamide, N-(3,4-dichlorophenyl)-|Propanex|Propanid|Propanide|Propanil|Propanilo|Propasint|Propionanilide, 3',4'-dichloro-|Propionic acid 3,4-dichloroanilide|Propionic acid-3,4-dichloroanilide|Riselect|Riverside propanil 60DF|Rosanil|Stam|Stam Novel Flo 480|Stam supernox|Stampede|Stampede 360|Stampede 3E|Supernox|Surcopur|Synpran N|UNII-F57I4G0520|Vertac Propanil 3|Vertac Propanil 4|Wham EZ|110343-36-7|11096-32-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022111
ERPathway2016 ERPathway2016_672 N-(3,4-Dichlorophenyl)propanamide 709-98-8 DTXSID8022111 ER Pathway Model, Antagonist Call Inactive Unitless CCC(=O)NC1=CC=C(Cl)C(Cl)=C1 N-(3,4-Dichlorophenyl)propanamide 709-98-8|N-(3,4-Dichlorophenyl)propanamide|3,4-Dichloranilid kyseliny propionove|3,4-Dichloropropionanilide|3',4'-Dichlorophenylpropionanilide|3',4'-Dichloropropionanilide|Bayer 30 130|BRN 2365645|Caswell No. 325|Cekupropanil|Chem Rice|Chem-Rice|Crystal propanil-4|Dichloropropionanilide|Drexel Prop-Job|EINECS 211-914-6|EPA Pesticide Chemical Code 028201|Erbanil|Farmco propanil|Formulation 38 (N-(3,4-dichlorophenyl)propanamide)|Grascide|Herbax LV-30|Herbax technical|Montrose propanil|N-(3,4-Dichlorophenyl)propanamide|N-(3,4-Dichlorophenyl)propionamide|NSC 31312|Prop Job|Prop-Job|Propagrin 36|Propanamide, N-(3,4-dichlorophenyl)-|Propanex|Propanid|Propanide|Propanil|Propanilo|Propasint|Propionanilide, 3',4'-dichloro-|Propionic acid 3,4-dichloroanilide|Propionic acid-3,4-dichloroanilide|Riselect|Riverside propanil 60DF|Rosanil|Stam|Stam Novel Flo 480|Stam supernox|Stampede|Stampede 360|Stampede 3E|Supernox|Surcopur|Synpran N|UNII-F57I4G0520|Vertac Propanil 3|Vertac Propanil 4|Wham EZ|110343-36-7|11096-32-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022111
ARPathway2016 ARPathway2016_353 N-(Cyclohexylthio)phthalimide 17796-82-6 DTXSID8027793 FLAG: Antagonist shift, but CI overlap 1.0 R4 AR Pathway Model, Antagonist AC50 34.9593449 uM O=C1N(SC2CCCCC2)C(=O)C2=C1C=CC=C2 N-(Cyclohexylthio)phthalimide 17796-82-6|N-(Cyclohexylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)-|5-21-11-00117|BRN 0613992|Cyclohexylthiophthalimide|EINECS 241-774-1|N-Cyclohexylsulfenylphthalimide|Santogard PVI|Santogard PVI-DS|UNII-50Z9596NJ3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027793
ARPathway2016 ARPathway2016_353 N-(Cyclohexylthio)phthalimide 17796-82-6 DTXSID8027793 FLAG: Antagonist shift, but CI overlap 1.0 R4 AR Pathway Model, Antagonist ACC 31.336778 uM O=C1N(SC2CCCCC2)C(=O)C2=C1C=CC=C2 N-(Cyclohexylthio)phthalimide 17796-82-6|N-(Cyclohexylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)-|5-21-11-00117|BRN 0613992|Cyclohexylthiophthalimide|EINECS 241-774-1|N-Cyclohexylsulfenylphthalimide|Santogard PVI|Santogard PVI-DS|UNII-50Z9596NJ3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027793
ARPathway2016 ARPathway2016_353 N-(Cyclohexylthio)phthalimide 17796-82-6 DTXSID8027793 FLAG: Antagonist shift, but CI overlap 1.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless O=C1N(SC2CCCCC2)C(=O)C2=C1C=CC=C2 N-(Cyclohexylthio)phthalimide 17796-82-6|N-(Cyclohexylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)-|5-21-11-00117|BRN 0613992|Cyclohexylthiophthalimide|EINECS 241-774-1|N-Cyclohexylsulfenylphthalimide|Santogard PVI|Santogard PVI-DS|UNII-50Z9596NJ3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027793
ARPathway2016 ARPathway2016_353 N-(Cyclohexylthio)phthalimide 17796-82-6 DTXSID8027793 FLAG: Antagonist shift, but CI overlap 1.0 R4 AR Pathway Model, Agonist Model Score 0.0168 Unitless O=C1N(SC2CCCCC2)C(=O)C2=C1C=CC=C2 N-(Cyclohexylthio)phthalimide 17796-82-6|N-(Cyclohexylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)-|5-21-11-00117|BRN 0613992|Cyclohexylthiophthalimide|EINECS 241-774-1|N-Cyclohexylsulfenylphthalimide|Santogard PVI|Santogard PVI-DS|UNII-50Z9596NJ3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027793
ARPathway2016 ARPathway2016_353 N-(Cyclohexylthio)phthalimide 17796-82-6 DTXSID8027793 FLAG: Antagonist shift, but CI overlap 1.0 R4 AR Pathway Model, Agonist Call Inactive Unitless O=C1N(SC2CCCCC2)C(=O)C2=C1C=CC=C2 N-(Cyclohexylthio)phthalimide 17796-82-6|N-(Cyclohexylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)-|5-21-11-00117|BRN 0613992|Cyclohexylthiophthalimide|EINECS 241-774-1|N-Cyclohexylsulfenylphthalimide|Santogard PVI|Santogard PVI-DS|UNII-50Z9596NJ3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027793
ARPathway2016 ARPathway2016_353 N-(Cyclohexylthio)phthalimide 17796-82-6 DTXSID8027793 FLAG: Antagonist shift, but CI overlap 1.0 R4 AR Pathway Model, Antagonist Call Active Unitless O=C1N(SC2CCCCC2)C(=O)C2=C1C=CC=C2 N-(Cyclohexylthio)phthalimide 17796-82-6|N-(Cyclohexylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)-|5-21-11-00117|BRN 0613992|Cyclohexylthiophthalimide|EINECS 241-774-1|N-Cyclohexylsulfenylphthalimide|Santogard PVI|Santogard PVI-DS|UNII-50Z9596NJ3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027793
ERPathway2016 ERPathway2016_44 N-(Cyclohexylthio)phthalimide 17796-82-6 DTXSID8027793 ER Pathway Model, Agonist AC50 56.3261053067477 uM O=C1N(SC2CCCCC2)C(=O)C2=C1C=CC=C2 N-(Cyclohexylthio)phthalimide 17796-82-6|N-(Cyclohexylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)-|5-21-11-00117|BRN 0613992|Cyclohexylthiophthalimide|EINECS 241-774-1|N-Cyclohexylsulfenylphthalimide|Santogard PVI|Santogard PVI-DS|UNII-50Z9596NJ3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027793
ERPathway2016 ERPathway2016_44 N-(Cyclohexylthio)phthalimide 17796-82-6 DTXSID8027793 ER Pathway Model, Agonist ACC 59.3692377575937 uM O=C1N(SC2CCCCC2)C(=O)C2=C1C=CC=C2 N-(Cyclohexylthio)phthalimide 17796-82-6|N-(Cyclohexylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)-|5-21-11-00117|BRN 0613992|Cyclohexylthiophthalimide|EINECS 241-774-1|N-Cyclohexylsulfenylphthalimide|Santogard PVI|Santogard PVI-DS|UNII-50Z9596NJ3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027793
ERPathway2016 ERPathway2016_44 N-(Cyclohexylthio)phthalimide 17796-82-6 DTXSID8027793 ER Pathway Model, Agonist Model Score 0.00292 Unitless O=C1N(SC2CCCCC2)C(=O)C2=C1C=CC=C2 N-(Cyclohexylthio)phthalimide 17796-82-6|N-(Cyclohexylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)-|5-21-11-00117|BRN 0613992|Cyclohexylthiophthalimide|EINECS 241-774-1|N-Cyclohexylsulfenylphthalimide|Santogard PVI|Santogard PVI-DS|UNII-50Z9596NJ3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027793
ERPathway2016 ERPathway2016_44 N-(Cyclohexylthio)phthalimide 17796-82-6 DTXSID8027793 ER Pathway Model, Antagonist Model Score 0.0032 Unitless O=C1N(SC2CCCCC2)C(=O)C2=C1C=CC=C2 N-(Cyclohexylthio)phthalimide 17796-82-6|N-(Cyclohexylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)-|5-21-11-00117|BRN 0613992|Cyclohexylthiophthalimide|EINECS 241-774-1|N-Cyclohexylsulfenylphthalimide|Santogard PVI|Santogard PVI-DS|UNII-50Z9596NJ3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027793
ERPathway2016 ERPathway2016_44 N-(Cyclohexylthio)phthalimide 17796-82-6 DTXSID8027793 ER Pathway Model, Agonist Call Active Unitless O=C1N(SC2CCCCC2)C(=O)C2=C1C=CC=C2 N-(Cyclohexylthio)phthalimide 17796-82-6|N-(Cyclohexylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)-|5-21-11-00117|BRN 0613992|Cyclohexylthiophthalimide|EINECS 241-774-1|N-Cyclohexylsulfenylphthalimide|Santogard PVI|Santogard PVI-DS|UNII-50Z9596NJ3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027793
ERPathway2016 ERPathway2016_44 N-(Cyclohexylthio)phthalimide 17796-82-6 DTXSID8027793 ER Pathway Model, Antagonist Call Inactive Unitless O=C1N(SC2CCCCC2)C(=O)C2=C1C=CC=C2 N-(Cyclohexylthio)phthalimide 17796-82-6|N-(Cyclohexylthio)phthalimide|1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)-|5-21-11-00117|BRN 0613992|Cyclohexylthiophthalimide|EINECS 241-774-1|N-Cyclohexylsulfenylphthalimide|Santogard PVI|Santogard PVI-DS|UNII-50Z9596NJ3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027793
ARPathway2016 ARPathway2016_1830 N,N,4-Trimethylaniline 99-97-8 DTXSID0021832 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)C1=CC=C(C)C=C1 N,N,4-Trimethylaniline 99-97-8|N,N,4-Trimethylaniline|1-(Dimethylamino)-4-methylbenzene|Benzenamine, N,N,4-trimethyl|Benzenamine, N,N,4-trimethyl-|Dimethyl-p-toluidine|Dimetil-p-toluidina|EINECS 202-805-4|N,N-Dimethyl-1,4-toluidine|N,N-Dimethyl-4-methylaniline|N,N-Dimethyl-p-methylphenylamine|N,N-DIMETHYL-P-TOLUIDENE|N,N-Dimethyl-p-toluidin|N,N-Dimethyl-p-toluidine|N,N-Dimethyl-p-tolylamine|N,N-Dimethyltoluidine|N,N-dimetil-p-toluidina|N,N,4-Trimethylbenzenamine|NSC 1785|p-(Dimethylamino)toluene|p-Methyl-N,N-dimethylaniline|p-Toluidine, N,N-dimethyl-|p,N,N-Trimethylaniline|TOLUENE, 4-DIMETHYLAMINO-|UNII-S8XC5939VU|129899-34-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021832 https://doi.org/10.22427/NTP-DATA-DTXSID0021832
ARPathway2016 ARPathway2016_1830 N,N,4-Trimethylaniline 99-97-8 DTXSID0021832 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C1=CC=C(C)C=C1 N,N,4-Trimethylaniline 99-97-8|N,N,4-Trimethylaniline|1-(Dimethylamino)-4-methylbenzene|Benzenamine, N,N,4-trimethyl|Benzenamine, N,N,4-trimethyl-|Dimethyl-p-toluidine|Dimetil-p-toluidina|EINECS 202-805-4|N,N-Dimethyl-1,4-toluidine|N,N-Dimethyl-4-methylaniline|N,N-Dimethyl-p-methylphenylamine|N,N-DIMETHYL-P-TOLUIDENE|N,N-Dimethyl-p-toluidin|N,N-Dimethyl-p-toluidine|N,N-Dimethyl-p-tolylamine|N,N-Dimethyltoluidine|N,N-dimetil-p-toluidina|N,N,4-Trimethylbenzenamine|NSC 1785|p-(Dimethylamino)toluene|p-Methyl-N,N-dimethylaniline|p-Toluidine, N,N-dimethyl-|p,N,N-Trimethylaniline|TOLUENE, 4-DIMETHYLAMINO-|UNII-S8XC5939VU|129899-34-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021832 https://doi.org/10.22427/NTP-DATA-DTXSID0021832
ARPathway2016 ARPathway2016_1830 N,N,4-Trimethylaniline 99-97-8 DTXSID0021832 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN(C)C1=CC=C(C)C=C1 N,N,4-Trimethylaniline 99-97-8|N,N,4-Trimethylaniline|1-(Dimethylamino)-4-methylbenzene|Benzenamine, N,N,4-trimethyl|Benzenamine, N,N,4-trimethyl-|Dimethyl-p-toluidine|Dimetil-p-toluidina|EINECS 202-805-4|N,N-Dimethyl-1,4-toluidine|N,N-Dimethyl-4-methylaniline|N,N-Dimethyl-p-methylphenylamine|N,N-DIMETHYL-P-TOLUIDENE|N,N-Dimethyl-p-toluidin|N,N-Dimethyl-p-toluidine|N,N-Dimethyl-p-tolylamine|N,N-Dimethyltoluidine|N,N-dimetil-p-toluidina|N,N,4-Trimethylbenzenamine|NSC 1785|p-(Dimethylamino)toluene|p-Methyl-N,N-dimethylaniline|p-Toluidine, N,N-dimethyl-|p,N,N-Trimethylaniline|TOLUENE, 4-DIMETHYLAMINO-|UNII-S8XC5939VU|129899-34-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021832 https://doi.org/10.22427/NTP-DATA-DTXSID0021832
ARPathway2016 ARPathway2016_1830 N,N,4-Trimethylaniline 99-97-8 DTXSID0021832 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C1=CC=C(C)C=C1 N,N,4-Trimethylaniline 99-97-8|N,N,4-Trimethylaniline|1-(Dimethylamino)-4-methylbenzene|Benzenamine, N,N,4-trimethyl|Benzenamine, N,N,4-trimethyl-|Dimethyl-p-toluidine|Dimetil-p-toluidina|EINECS 202-805-4|N,N-Dimethyl-1,4-toluidine|N,N-Dimethyl-4-methylaniline|N,N-Dimethyl-p-methylphenylamine|N,N-DIMETHYL-P-TOLUIDENE|N,N-Dimethyl-p-toluidin|N,N-Dimethyl-p-toluidine|N,N-Dimethyl-p-tolylamine|N,N-Dimethyltoluidine|N,N-dimetil-p-toluidina|N,N,4-Trimethylbenzenamine|NSC 1785|p-(Dimethylamino)toluene|p-Methyl-N,N-dimethylaniline|p-Toluidine, N,N-dimethyl-|p,N,N-Trimethylaniline|TOLUENE, 4-DIMETHYLAMINO-|UNII-S8XC5939VU|129899-34-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021832 https://doi.org/10.22427/NTP-DATA-DTXSID0021832
ERPathway2016 ERPathway2016_423 N,N,4-Trimethylaniline 99-97-8 DTXSID0021832 ER Pathway Model, Antagonist AC50 56.4224874697343 uM CN(C)C1=CC=C(C)C=C1 N,N,4-Trimethylaniline 99-97-8|N,N,4-Trimethylaniline|1-(Dimethylamino)-4-methylbenzene|Benzenamine, N,N,4-trimethyl|Benzenamine, N,N,4-trimethyl-|Dimethyl-p-toluidine|Dimetil-p-toluidina|EINECS 202-805-4|N,N-Dimethyl-1,4-toluidine|N,N-Dimethyl-4-methylaniline|N,N-Dimethyl-p-methylphenylamine|N,N-DIMETHYL-P-TOLUIDENE|N,N-Dimethyl-p-toluidin|N,N-Dimethyl-p-toluidine|N,N-Dimethyl-p-tolylamine|N,N-Dimethyltoluidine|N,N-dimetil-p-toluidina|N,N,4-Trimethylbenzenamine|NSC 1785|p-(Dimethylamino)toluene|p-Methyl-N,N-dimethylaniline|p-Toluidine, N,N-dimethyl-|p,N,N-Trimethylaniline|TOLUENE, 4-DIMETHYLAMINO-|UNII-S8XC5939VU|129899-34-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021832 https://doi.org/10.22427/NTP-DATA-DTXSID0021832
ERPathway2016 ERPathway2016_423 N,N,4-Trimethylaniline 99-97-8 DTXSID0021832 ER Pathway Model, Antagonist ACC 214.513179777622 uM CN(C)C1=CC=C(C)C=C1 N,N,4-Trimethylaniline 99-97-8|N,N,4-Trimethylaniline|1-(Dimethylamino)-4-methylbenzene|Benzenamine, N,N,4-trimethyl|Benzenamine, N,N,4-trimethyl-|Dimethyl-p-toluidine|Dimetil-p-toluidina|EINECS 202-805-4|N,N-Dimethyl-1,4-toluidine|N,N-Dimethyl-4-methylaniline|N,N-Dimethyl-p-methylphenylamine|N,N-DIMETHYL-P-TOLUIDENE|N,N-Dimethyl-p-toluidin|N,N-Dimethyl-p-toluidine|N,N-Dimethyl-p-tolylamine|N,N-Dimethyltoluidine|N,N-dimetil-p-toluidina|N,N,4-Trimethylbenzenamine|NSC 1785|p-(Dimethylamino)toluene|p-Methyl-N,N-dimethylaniline|p-Toluidine, N,N-dimethyl-|p,N,N-Trimethylaniline|TOLUENE, 4-DIMETHYLAMINO-|UNII-S8XC5939VU|129899-34-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021832 https://doi.org/10.22427/NTP-DATA-DTXSID0021832
ERPathway2016 ERPathway2016_423 N,N,4-Trimethylaniline 99-97-8 DTXSID0021832 ER Pathway Model, Agonist Model Score 0.00737 Unitless CN(C)C1=CC=C(C)C=C1 N,N,4-Trimethylaniline 99-97-8|N,N,4-Trimethylaniline|1-(Dimethylamino)-4-methylbenzene|Benzenamine, N,N,4-trimethyl|Benzenamine, N,N,4-trimethyl-|Dimethyl-p-toluidine|Dimetil-p-toluidina|EINECS 202-805-4|N,N-Dimethyl-1,4-toluidine|N,N-Dimethyl-4-methylaniline|N,N-Dimethyl-p-methylphenylamine|N,N-DIMETHYL-P-TOLUIDENE|N,N-Dimethyl-p-toluidin|N,N-Dimethyl-p-toluidine|N,N-Dimethyl-p-tolylamine|N,N-Dimethyltoluidine|N,N-dimetil-p-toluidina|N,N,4-Trimethylbenzenamine|NSC 1785|p-(Dimethylamino)toluene|p-Methyl-N,N-dimethylaniline|p-Toluidine, N,N-dimethyl-|p,N,N-Trimethylaniline|TOLUENE, 4-DIMETHYLAMINO-|UNII-S8XC5939VU|129899-34-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021832 https://doi.org/10.22427/NTP-DATA-DTXSID0021832
ERPathway2016 ERPathway2016_423 N,N,4-Trimethylaniline 99-97-8 DTXSID0021832 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C1=CC=C(C)C=C1 N,N,4-Trimethylaniline 99-97-8|N,N,4-Trimethylaniline|1-(Dimethylamino)-4-methylbenzene|Benzenamine, N,N,4-trimethyl|Benzenamine, N,N,4-trimethyl-|Dimethyl-p-toluidine|Dimetil-p-toluidina|EINECS 202-805-4|N,N-Dimethyl-1,4-toluidine|N,N-Dimethyl-4-methylaniline|N,N-Dimethyl-p-methylphenylamine|N,N-DIMETHYL-P-TOLUIDENE|N,N-Dimethyl-p-toluidin|N,N-Dimethyl-p-toluidine|N,N-Dimethyl-p-tolylamine|N,N-Dimethyltoluidine|N,N-dimetil-p-toluidina|N,N,4-Trimethylbenzenamine|NSC 1785|p-(Dimethylamino)toluene|p-Methyl-N,N-dimethylaniline|p-Toluidine, N,N-dimethyl-|p,N,N-Trimethylaniline|TOLUENE, 4-DIMETHYLAMINO-|UNII-S8XC5939VU|129899-34-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021832 https://doi.org/10.22427/NTP-DATA-DTXSID0021832
ERPathway2016 ERPathway2016_423 N,N,4-Trimethylaniline 99-97-8 DTXSID0021832 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C1=CC=C(C)C=C1 N,N,4-Trimethylaniline 99-97-8|N,N,4-Trimethylaniline|1-(Dimethylamino)-4-methylbenzene|Benzenamine, N,N,4-trimethyl|Benzenamine, N,N,4-trimethyl-|Dimethyl-p-toluidine|Dimetil-p-toluidina|EINECS 202-805-4|N,N-Dimethyl-1,4-toluidine|N,N-Dimethyl-4-methylaniline|N,N-Dimethyl-p-methylphenylamine|N,N-DIMETHYL-P-TOLUIDENE|N,N-Dimethyl-p-toluidin|N,N-Dimethyl-p-toluidine|N,N-Dimethyl-p-tolylamine|N,N-Dimethyltoluidine|N,N-dimetil-p-toluidina|N,N,4-Trimethylbenzenamine|NSC 1785|p-(Dimethylamino)toluene|p-Methyl-N,N-dimethylaniline|p-Toluidine, N,N-dimethyl-|p,N,N-Trimethylaniline|TOLUENE, 4-DIMETHYLAMINO-|UNII-S8XC5939VU|129899-34-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021832 https://doi.org/10.22427/NTP-DATA-DTXSID0021832
ERPathway2016 ERPathway2016_423 N,N,4-Trimethylaniline 99-97-8 DTXSID0021832 ER Pathway Model, Antagonist Call Active Unitless CN(C)C1=CC=C(C)C=C1 N,N,4-Trimethylaniline 99-97-8|N,N,4-Trimethylaniline|1-(Dimethylamino)-4-methylbenzene|Benzenamine, N,N,4-trimethyl|Benzenamine, N,N,4-trimethyl-|Dimethyl-p-toluidine|Dimetil-p-toluidina|EINECS 202-805-4|N,N-Dimethyl-1,4-toluidine|N,N-Dimethyl-4-methylaniline|N,N-Dimethyl-p-methylphenylamine|N,N-DIMETHYL-P-TOLUIDENE|N,N-Dimethyl-p-toluidin|N,N-Dimethyl-p-toluidine|N,N-Dimethyl-p-tolylamine|N,N-Dimethyltoluidine|N,N-dimetil-p-toluidina|N,N,4-Trimethylbenzenamine|NSC 1785|p-(Dimethylamino)toluene|p-Methyl-N,N-dimethylaniline|p-Toluidine, N,N-dimethyl-|p,N,N-Trimethylaniline|TOLUENE, 4-DIMETHYLAMINO-|UNII-S8XC5939VU|129899-34-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021832 https://doi.org/10.22427/NTP-DATA-DTXSID0021832
ARPathway2016 ARPathway2016_1086 N,N,N',N'-Tetrabutyl-1,6-hexanediamine 27090-63-7 DTXSID1027920 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCN(CCCC)CCCCCCN(CCCC)CCCC N,N,N',N'-Tetrabutyl-1,6-hexanediamine 27090-63-7|N,N,N',N'-Tetrabutyl-1,6-hexanediamine|1,6-Hexanediamine, N,N,N',N'-tetrabutyl-|1,6-Hexanediamine, N1,N1,N6,N6-tetrabutyl-|EINECS 248-219-2|N,N,N',N'-Tetrabutylhexane-1,6-diamine|UNII-441AFN19XS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027920
ARPathway2016 ARPathway2016_1086 N,N,N',N'-Tetrabutyl-1,6-hexanediamine 27090-63-7 DTXSID1027920 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCN(CCCC)CCCCCCN(CCCC)CCCC N,N,N',N'-Tetrabutyl-1,6-hexanediamine 27090-63-7|N,N,N',N'-Tetrabutyl-1,6-hexanediamine|1,6-Hexanediamine, N,N,N',N'-tetrabutyl-|1,6-Hexanediamine, N1,N1,N6,N6-tetrabutyl-|EINECS 248-219-2|N,N,N',N'-Tetrabutylhexane-1,6-diamine|UNII-441AFN19XS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027920
ARPathway2016 ARPathway2016_1086 N,N,N',N'-Tetrabutyl-1,6-hexanediamine 27090-63-7 DTXSID1027920 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCN(CCCC)CCCCCCN(CCCC)CCCC N,N,N',N'-Tetrabutyl-1,6-hexanediamine 27090-63-7|N,N,N',N'-Tetrabutyl-1,6-hexanediamine|1,6-Hexanediamine, N,N,N',N'-tetrabutyl-|1,6-Hexanediamine, N1,N1,N6,N6-tetrabutyl-|EINECS 248-219-2|N,N,N',N'-Tetrabutylhexane-1,6-diamine|UNII-441AFN19XS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027920
ARPathway2016 ARPathway2016_1086 N,N,N',N'-Tetrabutyl-1,6-hexanediamine 27090-63-7 DTXSID1027920 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCN(CCCC)CCCCCCN(CCCC)CCCC N,N,N',N'-Tetrabutyl-1,6-hexanediamine 27090-63-7|N,N,N',N'-Tetrabutyl-1,6-hexanediamine|1,6-Hexanediamine, N,N,N',N'-tetrabutyl-|1,6-Hexanediamine, N1,N1,N6,N6-tetrabutyl-|EINECS 248-219-2|N,N,N',N'-Tetrabutylhexane-1,6-diamine|UNII-441AFN19XS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027920
ERPathway2016 ERPathway2016_1420 N,N,N',N'-Tetrabutyl-1,6-hexanediamine 27090-63-7 DTXSID1027920 ER Pathway Model, Agonist Model Score 0 Unitless CCCCN(CCCC)CCCCCCN(CCCC)CCCC N,N,N',N'-Tetrabutyl-1,6-hexanediamine 27090-63-7|N,N,N',N'-Tetrabutyl-1,6-hexanediamine|1,6-Hexanediamine, N,N,N',N'-tetrabutyl-|1,6-Hexanediamine, N1,N1,N6,N6-tetrabutyl-|EINECS 248-219-2|N,N,N',N'-Tetrabutylhexane-1,6-diamine|UNII-441AFN19XS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027920
ERPathway2016 ERPathway2016_1420 N,N,N',N'-Tetrabutyl-1,6-hexanediamine 27090-63-7 DTXSID1027920 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCN(CCCC)CCCCCCN(CCCC)CCCC N,N,N',N'-Tetrabutyl-1,6-hexanediamine 27090-63-7|N,N,N',N'-Tetrabutyl-1,6-hexanediamine|1,6-Hexanediamine, N,N,N',N'-tetrabutyl-|1,6-Hexanediamine, N1,N1,N6,N6-tetrabutyl-|EINECS 248-219-2|N,N,N',N'-Tetrabutylhexane-1,6-diamine|UNII-441AFN19XS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027920
ERPathway2016 ERPathway2016_1420 N,N,N',N'-Tetrabutyl-1,6-hexanediamine 27090-63-7 DTXSID1027920 ER Pathway Model, Agonist Call Inactive Unitless CCCCN(CCCC)CCCCCCN(CCCC)CCCC N,N,N',N'-Tetrabutyl-1,6-hexanediamine 27090-63-7|N,N,N',N'-Tetrabutyl-1,6-hexanediamine|1,6-Hexanediamine, N,N,N',N'-tetrabutyl-|1,6-Hexanediamine, N1,N1,N6,N6-tetrabutyl-|EINECS 248-219-2|N,N,N',N'-Tetrabutylhexane-1,6-diamine|UNII-441AFN19XS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027920
ERPathway2016 ERPathway2016_1420 N,N,N',N'-Tetrabutyl-1,6-hexanediamine 27090-63-7 DTXSID1027920 ER Pathway Model, Antagonist Call Inactive Unitless CCCCN(CCCC)CCCCCCN(CCCC)CCCC N,N,N',N'-Tetrabutyl-1,6-hexanediamine 27090-63-7|N,N,N',N'-Tetrabutyl-1,6-hexanediamine|1,6-Hexanediamine, N,N,N',N'-tetrabutyl-|1,6-Hexanediamine, N1,N1,N6,N6-tetrabutyl-|EINECS 248-219-2|N,N,N',N'-Tetrabutylhexane-1,6-diamine|UNII-441AFN19XS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027920
ARPathway2016 ARPathway2016_1078 N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine 26644-46-2 DTXSID5032654 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine 26644-46-2|N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine|1,1'-Piperazine-1,4-diyldi-(N-(2,2,2-trichloroethyl)formamide)|1,4-Bis(1-formamido-2,2,2-trichloroethyl)piperazine|1,4-Bis(2,2,2-trichloro-1-formamidoethyl)piperazine|5-23-01-00042|Asepta Funginex|Biformylchlorazin|BRN 0626358|Caswell No. 890AA|EINECS 247-872-0|EPA Pesticide Chemical Code 107901|Formamide, N, N'- [1, 4- piperazinediylbis(2, 2, 2- trichloroethylidene) ] bis|Formamide, N,N'-[1,4-piperazinediylbis(2,2,2-trichloroethylidene)]bis-|Funginex|N,N'-(1,4-Piperazinediylbis(2,2,2-trichloroethylidene))bisformamide|N,N'-(Piperazine-1,4-diylbis((trichloromethyl)methylene))diformamide|N,N'-(Piperazinediylbis(2,2,2-trichloroethylidene)) bis(formamide)|N,N'-[1,4-Piperazinediylbis(2,2,2-trichloroethylidene)]bis[formamide]|NSC 263493|Saprol|Triforine|UNII-N1A4W8U0HH|W 524|1135442-61-3|36660-66-9|37273-84-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032654
ARPathway2016 ARPathway2016_1078 N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine 26644-46-2 DTXSID5032654 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine 26644-46-2|N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine|1,1'-Piperazine-1,4-diyldi-(N-(2,2,2-trichloroethyl)formamide)|1,4-Bis(1-formamido-2,2,2-trichloroethyl)piperazine|1,4-Bis(2,2,2-trichloro-1-formamidoethyl)piperazine|5-23-01-00042|Asepta Funginex|Biformylchlorazin|BRN 0626358|Caswell No. 890AA|EINECS 247-872-0|EPA Pesticide Chemical Code 107901|Formamide, N, N'- [1, 4- piperazinediylbis(2, 2, 2- trichloroethylidene) ] bis|Formamide, N,N'-[1,4-piperazinediylbis(2,2,2-trichloroethylidene)]bis-|Funginex|N,N'-(1,4-Piperazinediylbis(2,2,2-trichloroethylidene))bisformamide|N,N'-(Piperazine-1,4-diylbis((trichloromethyl)methylene))diformamide|N,N'-(Piperazinediylbis(2,2,2-trichloroethylidene)) bis(formamide)|N,N'-[1,4-Piperazinediylbis(2,2,2-trichloroethylidene)]bis[formamide]|NSC 263493|Saprol|Triforine|UNII-N1A4W8U0HH|W 524|1135442-61-3|36660-66-9|37273-84-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032654
ARPathway2016 ARPathway2016_1078 N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine 26644-46-2 DTXSID5032654 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine 26644-46-2|N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine|1,1'-Piperazine-1,4-diyldi-(N-(2,2,2-trichloroethyl)formamide)|1,4-Bis(1-formamido-2,2,2-trichloroethyl)piperazine|1,4-Bis(2,2,2-trichloro-1-formamidoethyl)piperazine|5-23-01-00042|Asepta Funginex|Biformylchlorazin|BRN 0626358|Caswell No. 890AA|EINECS 247-872-0|EPA Pesticide Chemical Code 107901|Formamide, N, N'- [1, 4- piperazinediylbis(2, 2, 2- trichloroethylidene) ] bis|Formamide, N,N'-[1,4-piperazinediylbis(2,2,2-trichloroethylidene)]bis-|Funginex|N,N'-(1,4-Piperazinediylbis(2,2,2-trichloroethylidene))bisformamide|N,N'-(Piperazine-1,4-diylbis((trichloromethyl)methylene))diformamide|N,N'-(Piperazinediylbis(2,2,2-trichloroethylidene)) bis(formamide)|N,N'-[1,4-Piperazinediylbis(2,2,2-trichloroethylidene)]bis[formamide]|NSC 263493|Saprol|Triforine|UNII-N1A4W8U0HH|W 524|1135442-61-3|36660-66-9|37273-84-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032654
ARPathway2016 ARPathway2016_1078 N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine 26644-46-2 DTXSID5032654 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine 26644-46-2|N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine|1,1'-Piperazine-1,4-diyldi-(N-(2,2,2-trichloroethyl)formamide)|1,4-Bis(1-formamido-2,2,2-trichloroethyl)piperazine|1,4-Bis(2,2,2-trichloro-1-formamidoethyl)piperazine|5-23-01-00042|Asepta Funginex|Biformylchlorazin|BRN 0626358|Caswell No. 890AA|EINECS 247-872-0|EPA Pesticide Chemical Code 107901|Formamide, N, N'- [1, 4- piperazinediylbis(2, 2, 2- trichloroethylidene) ] bis|Formamide, N,N'-[1,4-piperazinediylbis(2,2,2-trichloroethylidene)]bis-|Funginex|N,N'-(1,4-Piperazinediylbis(2,2,2-trichloroethylidene))bisformamide|N,N'-(Piperazine-1,4-diylbis((trichloromethyl)methylene))diformamide|N,N'-(Piperazinediylbis(2,2,2-trichloroethylidene)) bis(formamide)|N,N'-[1,4-Piperazinediylbis(2,2,2-trichloroethylidene)]bis[formamide]|NSC 263493|Saprol|Triforine|UNII-N1A4W8U0HH|W 524|1135442-61-3|36660-66-9|37273-84-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032654
ERPathway2016 ERPathway2016_1416 N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine 26644-46-2 DTXSID5032654 ER Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine 26644-46-2|N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine|1,1'-Piperazine-1,4-diyldi-(N-(2,2,2-trichloroethyl)formamide)|1,4-Bis(1-formamido-2,2,2-trichloroethyl)piperazine|1,4-Bis(2,2,2-trichloro-1-formamidoethyl)piperazine|5-23-01-00042|Asepta Funginex|Biformylchlorazin|BRN 0626358|Caswell No. 890AA|EINECS 247-872-0|EPA Pesticide Chemical Code 107901|Formamide, N, N'- [1, 4- piperazinediylbis(2, 2, 2- trichloroethylidene) ] bis|Formamide, N,N'-[1,4-piperazinediylbis(2,2,2-trichloroethylidene)]bis-|Funginex|N,N'-(1,4-Piperazinediylbis(2,2,2-trichloroethylidene))bisformamide|N,N'-(Piperazine-1,4-diylbis((trichloromethyl)methylene))diformamide|N,N'-(Piperazinediylbis(2,2,2-trichloroethylidene)) bis(formamide)|N,N'-[1,4-Piperazinediylbis(2,2,2-trichloroethylidene)]bis[formamide]|NSC 263493|Saprol|Triforine|UNII-N1A4W8U0HH|W 524|1135442-61-3|36660-66-9|37273-84-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032654
ERPathway2016 ERPathway2016_1416 N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine 26644-46-2 DTXSID5032654 ER Pathway Model, Antagonist Model Score 0 Unitless ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine 26644-46-2|N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine|1,1'-Piperazine-1,4-diyldi-(N-(2,2,2-trichloroethyl)formamide)|1,4-Bis(1-formamido-2,2,2-trichloroethyl)piperazine|1,4-Bis(2,2,2-trichloro-1-formamidoethyl)piperazine|5-23-01-00042|Asepta Funginex|Biformylchlorazin|BRN 0626358|Caswell No. 890AA|EINECS 247-872-0|EPA Pesticide Chemical Code 107901|Formamide, N, N'- [1, 4- piperazinediylbis(2, 2, 2- trichloroethylidene) ] bis|Formamide, N,N'-[1,4-piperazinediylbis(2,2,2-trichloroethylidene)]bis-|Funginex|N,N'-(1,4-Piperazinediylbis(2,2,2-trichloroethylidene))bisformamide|N,N'-(Piperazine-1,4-diylbis((trichloromethyl)methylene))diformamide|N,N'-(Piperazinediylbis(2,2,2-trichloroethylidene)) bis(formamide)|N,N'-[1,4-Piperazinediylbis(2,2,2-trichloroethylidene)]bis[formamide]|NSC 263493|Saprol|Triforine|UNII-N1A4W8U0HH|W 524|1135442-61-3|36660-66-9|37273-84-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032654
ERPathway2016 ERPathway2016_1416 N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine 26644-46-2 DTXSID5032654 ER Pathway Model, Agonist Call Inactive Unitless ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine 26644-46-2|N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine|1,1'-Piperazine-1,4-diyldi-(N-(2,2,2-trichloroethyl)formamide)|1,4-Bis(1-formamido-2,2,2-trichloroethyl)piperazine|1,4-Bis(2,2,2-trichloro-1-formamidoethyl)piperazine|5-23-01-00042|Asepta Funginex|Biformylchlorazin|BRN 0626358|Caswell No. 890AA|EINECS 247-872-0|EPA Pesticide Chemical Code 107901|Formamide, N, N'- [1, 4- piperazinediylbis(2, 2, 2- trichloroethylidene) ] bis|Formamide, N,N'-[1,4-piperazinediylbis(2,2,2-trichloroethylidene)]bis-|Funginex|N,N'-(1,4-Piperazinediylbis(2,2,2-trichloroethylidene))bisformamide|N,N'-(Piperazine-1,4-diylbis((trichloromethyl)methylene))diformamide|N,N'-(Piperazinediylbis(2,2,2-trichloroethylidene)) bis(formamide)|N,N'-[1,4-Piperazinediylbis(2,2,2-trichloroethylidene)]bis[formamide]|NSC 263493|Saprol|Triforine|UNII-N1A4W8U0HH|W 524|1135442-61-3|36660-66-9|37273-84-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032654
ERPathway2016 ERPathway2016_1416 N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine 26644-46-2 DTXSID5032654 ER Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine 26644-46-2|N,N'-Bis(1-formamido-2,2,2-trichloroethyl)piperazine|1,1'-Piperazine-1,4-diyldi-(N-(2,2,2-trichloroethyl)formamide)|1,4-Bis(1-formamido-2,2,2-trichloroethyl)piperazine|1,4-Bis(2,2,2-trichloro-1-formamidoethyl)piperazine|5-23-01-00042|Asepta Funginex|Biformylchlorazin|BRN 0626358|Caswell No. 890AA|EINECS 247-872-0|EPA Pesticide Chemical Code 107901|Formamide, N, N'- [1, 4- piperazinediylbis(2, 2, 2- trichloroethylidene) ] bis|Formamide, N,N'-[1,4-piperazinediylbis(2,2,2-trichloroethylidene)]bis-|Funginex|N,N'-(1,4-Piperazinediylbis(2,2,2-trichloroethylidene))bisformamide|N,N'-(Piperazine-1,4-diylbis((trichloromethyl)methylene))diformamide|N,N'-(Piperazinediylbis(2,2,2-trichloroethylidene)) bis(formamide)|N,N'-[1,4-Piperazinediylbis(2,2,2-trichloroethylidene)]bis[formamide]|NSC 263493|Saprol|Triforine|UNII-N1A4W8U0HH|W 524|1135442-61-3|36660-66-9|37273-84-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032654
ARPathway2016 ARPathway2016_1333 N,N-Dibutyl-N-methylbutan-1-aminium chloride 56375-79-2 DTXSID5044443 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Cl-].CCCC[N+](C)(CCCC)CCCC N,N-Dibutyl-N-methylbutan-1-aminium chloride 56375-79-2|N,N-Dibutyl-N-methylbutan-1-aminium chloride|1-Butanaminium, N,N-dibutyl-N-methyl-, chloride|EINECS 260-135-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044443
ARPathway2016 ARPathway2016_1333 N,N-Dibutyl-N-methylbutan-1-aminium chloride 56375-79-2 DTXSID5044443 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Cl-].CCCC[N+](C)(CCCC)CCCC N,N-Dibutyl-N-methylbutan-1-aminium chloride 56375-79-2|N,N-Dibutyl-N-methylbutan-1-aminium chloride|1-Butanaminium, N,N-dibutyl-N-methyl-, chloride|EINECS 260-135-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044443
ARPathway2016 ARPathway2016_1333 N,N-Dibutyl-N-methylbutan-1-aminium chloride 56375-79-2 DTXSID5044443 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Cl-].CCCC[N+](C)(CCCC)CCCC N,N-Dibutyl-N-methylbutan-1-aminium chloride 56375-79-2|N,N-Dibutyl-N-methylbutan-1-aminium chloride|1-Butanaminium, N,N-dibutyl-N-methyl-, chloride|EINECS 260-135-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044443
ARPathway2016 ARPathway2016_1333 N,N-Dibutyl-N-methylbutan-1-aminium chloride 56375-79-2 DTXSID5044443 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].CCCC[N+](C)(CCCC)CCCC N,N-Dibutyl-N-methylbutan-1-aminium chloride 56375-79-2|N,N-Dibutyl-N-methylbutan-1-aminium chloride|1-Butanaminium, N,N-dibutyl-N-methyl-, chloride|EINECS 260-135-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044443
ERPathway2016 ERPathway2016_1542 N,N-Dibutyl-N-methylbutan-1-aminium chloride 56375-79-2 DTXSID5044443 ER Pathway Model, Agonist Model Score 0 Unitless [Cl-].CCCC[N+](C)(CCCC)CCCC N,N-Dibutyl-N-methylbutan-1-aminium chloride 56375-79-2|N,N-Dibutyl-N-methylbutan-1-aminium chloride|1-Butanaminium, N,N-dibutyl-N-methyl-, chloride|EINECS 260-135-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044443
ERPathway2016 ERPathway2016_1542 N,N-Dibutyl-N-methylbutan-1-aminium chloride 56375-79-2 DTXSID5044443 ER Pathway Model, Antagonist Model Score 0 Unitless [Cl-].CCCC[N+](C)(CCCC)CCCC N,N-Dibutyl-N-methylbutan-1-aminium chloride 56375-79-2|N,N-Dibutyl-N-methylbutan-1-aminium chloride|1-Butanaminium, N,N-dibutyl-N-methyl-, chloride|EINECS 260-135-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044443
ERPathway2016 ERPathway2016_1542 N,N-Dibutyl-N-methylbutan-1-aminium chloride 56375-79-2 DTXSID5044443 ER Pathway Model, Agonist Call Inactive Unitless [Cl-].CCCC[N+](C)(CCCC)CCCC N,N-Dibutyl-N-methylbutan-1-aminium chloride 56375-79-2|N,N-Dibutyl-N-methylbutan-1-aminium chloride|1-Butanaminium, N,N-dibutyl-N-methyl-, chloride|EINECS 260-135-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044443
ERPathway2016 ERPathway2016_1542 N,N-Dibutyl-N-methylbutan-1-aminium chloride 56375-79-2 DTXSID5044443 ER Pathway Model, Antagonist Call Inactive Unitless [Cl-].CCCC[N+](C)(CCCC)CCCC N,N-Dibutyl-N-methylbutan-1-aminium chloride 56375-79-2|N,N-Dibutyl-N-methylbutan-1-aminium chloride|1-Butanaminium, N,N-dibutyl-N-methyl-, chloride|EINECS 260-135-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044443
ARPathway2016 ARPathway2016_528 N,N'-Dibutylthiourea 109-46-6 DTXSID8042187 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCNC(=S)NCCCC N,N'-Dibutylthiourea 109-46-6|N,N'-Dibutylthiourea|1,3-Di-n-butyl-2-thiourea|1,3-Dibutyl-2-thiourea|1,3-Dibutylthiourea|BRN 0507434|EINECS 203-674-6|NSC 3735|Pennzone B|Thiate U|Thiourea, N,N'-dibutyl-|UNII-3154M2Q6GD|Urea, 1,3-di-N-butyl-2-thio-|USAF EK-2138|30551-64-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042187
ARPathway2016 ARPathway2016_528 N,N'-Dibutylthiourea 109-46-6 DTXSID8042187 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CCCCNC(=S)NCCCC N,N'-Dibutylthiourea 109-46-6|N,N'-Dibutylthiourea|1,3-Di-n-butyl-2-thiourea|1,3-Dibutyl-2-thiourea|1,3-Dibutylthiourea|BRN 0507434|EINECS 203-674-6|NSC 3735|Pennzone B|Thiate U|Thiourea, N,N'-dibutyl-|UNII-3154M2Q6GD|Urea, 1,3-di-N-butyl-2-thio-|USAF EK-2138|30551-64-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042187
ARPathway2016 ARPathway2016_528 N,N'-Dibutylthiourea 109-46-6 DTXSID8042187 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CCCCNC(=S)NCCCC N,N'-Dibutylthiourea 109-46-6|N,N'-Dibutylthiourea|1,3-Di-n-butyl-2-thiourea|1,3-Dibutyl-2-thiourea|1,3-Dibutylthiourea|BRN 0507434|EINECS 203-674-6|NSC 3735|Pennzone B|Thiate U|Thiourea, N,N'-dibutyl-|UNII-3154M2Q6GD|Urea, 1,3-di-N-butyl-2-thio-|USAF EK-2138|30551-64-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042187
ARPathway2016 ARPathway2016_528 N,N'-Dibutylthiourea 109-46-6 DTXSID8042187 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CCCCNC(=S)NCCCC N,N'-Dibutylthiourea 109-46-6|N,N'-Dibutylthiourea|1,3-Di-n-butyl-2-thiourea|1,3-Dibutyl-2-thiourea|1,3-Dibutylthiourea|BRN 0507434|EINECS 203-674-6|NSC 3735|Pennzone B|Thiate U|Thiourea, N,N'-dibutyl-|UNII-3154M2Q6GD|Urea, 1,3-di-N-butyl-2-thio-|USAF EK-2138|30551-64-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042187
ERPathway2016 ERPathway2016_966 N,N'-Dibutylthiourea 109-46-6 DTXSID8042187 ER Pathway Model, Agonist Model Score 0 Unitless CCCCNC(=S)NCCCC N,N'-Dibutylthiourea 109-46-6|N,N'-Dibutylthiourea|1,3-Di-n-butyl-2-thiourea|1,3-Dibutyl-2-thiourea|1,3-Dibutylthiourea|BRN 0507434|EINECS 203-674-6|NSC 3735|Pennzone B|Thiate U|Thiourea, N,N'-dibutyl-|UNII-3154M2Q6GD|Urea, 1,3-di-N-butyl-2-thio-|USAF EK-2138|30551-64-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042187
ERPathway2016 ERPathway2016_966 N,N'-Dibutylthiourea 109-46-6 DTXSID8042187 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCNC(=S)NCCCC N,N'-Dibutylthiourea 109-46-6|N,N'-Dibutylthiourea|1,3-Di-n-butyl-2-thiourea|1,3-Dibutyl-2-thiourea|1,3-Dibutylthiourea|BRN 0507434|EINECS 203-674-6|NSC 3735|Pennzone B|Thiate U|Thiourea, N,N'-dibutyl-|UNII-3154M2Q6GD|Urea, 1,3-di-N-butyl-2-thio-|USAF EK-2138|30551-64-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042187
ERPathway2016 ERPathway2016_966 N,N'-Dibutylthiourea 109-46-6 DTXSID8042187 ER Pathway Model, Agonist Call Inactive Unitless CCCCNC(=S)NCCCC N,N'-Dibutylthiourea 109-46-6|N,N'-Dibutylthiourea|1,3-Di-n-butyl-2-thiourea|1,3-Dibutyl-2-thiourea|1,3-Dibutylthiourea|BRN 0507434|EINECS 203-674-6|NSC 3735|Pennzone B|Thiate U|Thiourea, N,N'-dibutyl-|UNII-3154M2Q6GD|Urea, 1,3-di-N-butyl-2-thio-|USAF EK-2138|30551-64-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042187
ERPathway2016 ERPathway2016_966 N,N'-Dibutylthiourea 109-46-6 DTXSID8042187 ER Pathway Model, Antagonist Call Inactive Unitless CCCCNC(=S)NCCCC N,N'-Dibutylthiourea 109-46-6|N,N'-Dibutylthiourea|1,3-Di-n-butyl-2-thiourea|1,3-Dibutyl-2-thiourea|1,3-Dibutylthiourea|BRN 0507434|EINECS 203-674-6|NSC 3735|Pennzone B|Thiate U|Thiourea, N,N'-dibutyl-|UNII-3154M2Q6GD|Urea, 1,3-di-N-butyl-2-thio-|USAF EK-2138|30551-64-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042187
ARPathway2016 ARPathway2016_1714 N,N-Diethylaniline 91-66-7 DTXSID8021800 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCN(CC)C1=CC=CC=C1 N,N-Diethylaniline 91-66-7|N,N-Diethylaniline|(Diethylamino)benzene|Aniline, N,N-diethyl-|Benzenamine, N,N-diethyl-|Diaethylanilin|Diethylaniline|Diethylphenylamine|EINECS 202-088-8|N-Phenyldiethylamine|N,N-DIAETHYLANILIN|N,N-Diethylaminobenzene|N,N-Diethylanilin|N,N-Diethylbenzenamine|N,N-dietilanilina|NSC 7205|PHENYLAMINE, N,N-DIETHYL-|Phenyldiethylamine|UN 2432|UNII-1WR1HJ2PGW https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021800 https://doi.org/10.22427/NTP-DATA-DTXSID8021800
ARPathway2016 ARPathway2016_1714 N,N-Diethylaniline 91-66-7 DTXSID8021800 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCN(CC)C1=CC=CC=C1 N,N-Diethylaniline 91-66-7|N,N-Diethylaniline|(Diethylamino)benzene|Aniline, N,N-diethyl-|Benzenamine, N,N-diethyl-|Diaethylanilin|Diethylaniline|Diethylphenylamine|EINECS 202-088-8|N-Phenyldiethylamine|N,N-DIAETHYLANILIN|N,N-Diethylaminobenzene|N,N-Diethylanilin|N,N-Diethylbenzenamine|N,N-dietilanilina|NSC 7205|PHENYLAMINE, N,N-DIETHYL-|Phenyldiethylamine|UN 2432|UNII-1WR1HJ2PGW https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021800 https://doi.org/10.22427/NTP-DATA-DTXSID8021800
ARPathway2016 ARPathway2016_1714 N,N-Diethylaniline 91-66-7 DTXSID8021800 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCN(CC)C1=CC=CC=C1 N,N-Diethylaniline 91-66-7|N,N-Diethylaniline|(Diethylamino)benzene|Aniline, N,N-diethyl-|Benzenamine, N,N-diethyl-|Diaethylanilin|Diethylaniline|Diethylphenylamine|EINECS 202-088-8|N-Phenyldiethylamine|N,N-DIAETHYLANILIN|N,N-Diethylaminobenzene|N,N-Diethylanilin|N,N-Diethylbenzenamine|N,N-dietilanilina|NSC 7205|PHENYLAMINE, N,N-DIETHYL-|Phenyldiethylamine|UN 2432|UNII-1WR1HJ2PGW https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021800 https://doi.org/10.22427/NTP-DATA-DTXSID8021800
ARPathway2016 ARPathway2016_1714 N,N-Diethylaniline 91-66-7 DTXSID8021800 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCN(CC)C1=CC=CC=C1 N,N-Diethylaniline 91-66-7|N,N-Diethylaniline|(Diethylamino)benzene|Aniline, N,N-diethyl-|Benzenamine, N,N-diethyl-|Diaethylanilin|Diethylaniline|Diethylphenylamine|EINECS 202-088-8|N-Phenyldiethylamine|N,N-DIAETHYLANILIN|N,N-Diethylaminobenzene|N,N-Diethylanilin|N,N-Diethylbenzenamine|N,N-dietilanilina|NSC 7205|PHENYLAMINE, N,N-DIETHYL-|Phenyldiethylamine|UN 2432|UNII-1WR1HJ2PGW https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021800 https://doi.org/10.22427/NTP-DATA-DTXSID8021800
ERPathway2016 ERPathway2016_1011 N,N-Diethylaniline 91-66-7 DTXSID8021800 ER Pathway Model, Agonist Model Score 0 Unitless CCN(CC)C1=CC=CC=C1 N,N-Diethylaniline 91-66-7|N,N-Diethylaniline|(Diethylamino)benzene|Aniline, N,N-diethyl-|Benzenamine, N,N-diethyl-|Diaethylanilin|Diethylaniline|Diethylphenylamine|EINECS 202-088-8|N-Phenyldiethylamine|N,N-DIAETHYLANILIN|N,N-Diethylaminobenzene|N,N-Diethylanilin|N,N-Diethylbenzenamine|N,N-dietilanilina|NSC 7205|PHENYLAMINE, N,N-DIETHYL-|Phenyldiethylamine|UN 2432|UNII-1WR1HJ2PGW https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021800 https://doi.org/10.22427/NTP-DATA-DTXSID8021800
ERPathway2016 ERPathway2016_1011 N,N-Diethylaniline 91-66-7 DTXSID8021800 ER Pathway Model, Antagonist Model Score 0 Unitless CCN(CC)C1=CC=CC=C1 N,N-Diethylaniline 91-66-7|N,N-Diethylaniline|(Diethylamino)benzene|Aniline, N,N-diethyl-|Benzenamine, N,N-diethyl-|Diaethylanilin|Diethylaniline|Diethylphenylamine|EINECS 202-088-8|N-Phenyldiethylamine|N,N-DIAETHYLANILIN|N,N-Diethylaminobenzene|N,N-Diethylanilin|N,N-Diethylbenzenamine|N,N-dietilanilina|NSC 7205|PHENYLAMINE, N,N-DIETHYL-|Phenyldiethylamine|UN 2432|UNII-1WR1HJ2PGW https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021800 https://doi.org/10.22427/NTP-DATA-DTXSID8021800
ERPathway2016 ERPathway2016_1011 N,N-Diethylaniline 91-66-7 DTXSID8021800 ER Pathway Model, Agonist Call Inactive Unitless CCN(CC)C1=CC=CC=C1 N,N-Diethylaniline 91-66-7|N,N-Diethylaniline|(Diethylamino)benzene|Aniline, N,N-diethyl-|Benzenamine, N,N-diethyl-|Diaethylanilin|Diethylaniline|Diethylphenylamine|EINECS 202-088-8|N-Phenyldiethylamine|N,N-DIAETHYLANILIN|N,N-Diethylaminobenzene|N,N-Diethylanilin|N,N-Diethylbenzenamine|N,N-dietilanilina|NSC 7205|PHENYLAMINE, N,N-DIETHYL-|Phenyldiethylamine|UN 2432|UNII-1WR1HJ2PGW https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021800 https://doi.org/10.22427/NTP-DATA-DTXSID8021800
ERPathway2016 ERPathway2016_1011 N,N-Diethylaniline 91-66-7 DTXSID8021800 ER Pathway Model, Antagonist Call Inactive Unitless CCN(CC)C1=CC=CC=C1 N,N-Diethylaniline 91-66-7|N,N-Diethylaniline|(Diethylamino)benzene|Aniline, N,N-diethyl-|Benzenamine, N,N-diethyl-|Diaethylanilin|Diethylaniline|Diethylphenylamine|EINECS 202-088-8|N-Phenyldiethylamine|N,N-DIAETHYLANILIN|N,N-Diethylaminobenzene|N,N-Diethylanilin|N,N-Diethylbenzenamine|N,N-dietilanilina|NSC 7205|PHENYLAMINE, N,N-DIETHYL-|Phenyldiethylamine|UN 2432|UNII-1WR1HJ2PGW https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021800 https://doi.org/10.22427/NTP-DATA-DTXSID8021800
ARPathway2016 ARPathway2016_396 N,N-Diethylethanolamine 100-37-8 DTXSID5021837 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCN(CC)CCO N,N-Diethylethanolamine 100-37-8|N,N-Diethylethanolamine|(2-Hydroxyethyl)diethylamine|(Diethylamino)ethanol|2-(Diethylamino)ethanol|2-(Diethylamino)ethyl alcohol|2-(N,N-Diethylamino)ethanol|2-DIAETHYLAMINOAETHANOL|2-Diethylamino ethanol|2-Diethylaminoethanol|2-Diethylaminoethyl alcohol|2-dietilaminoetanol|2-Hydroxytriethylamine|2-N-Diethylaminoethanol|beta-(diethylamino)ethyl alcohol|beta-Diethylaminoethanol|beta-Diethylaminoethyl alcohol|beta-hydroxytriethylamine|DEAE|Diaethylaminoaethanol|Diethyl(2-hydroxyethyl)amine|Diethyl(b-hydroxyethyl)amine|DIETHYLAMINOETHANOL|DIETHYLETHANOLAMINE|Diethylmonoethanolamine|EINECS 202-845-2|ETHANOL, 2-(DIETHYLAMINO)|Ethanol, 2-(diethylamino)-|ETHANOLAMINE, N,N-DIETHYL-|N-(2-Hydroxyethyl)diethylamine|N-Diethylaminoethanol|N,N-Diethyl-2-aminoethanol|N,N-Diethyl-2-hydroxyethylamine|N,N-Diethyl-N-(beta-hydroxyethyl)amine|N,N-Diethyl(2-hydroxyethyl)amine|N,N-DIETHYLAMINO ETHANOL|N,N-Diethylmonoethanolamine|N,N'-Diethylethanolamine|NSC 8759|UN 2686|UNII-S6DL4M053U|b-(Diethylamino)ethanol|102802-00-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021837 https://doi.org/10.22427/NTP-DATA-DTXSID5021837
ARPathway2016 ARPathway2016_396 N,N-Diethylethanolamine 100-37-8 DTXSID5021837 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCN(CC)CCO N,N-Diethylethanolamine 100-37-8|N,N-Diethylethanolamine|(2-Hydroxyethyl)diethylamine|(Diethylamino)ethanol|2-(Diethylamino)ethanol|2-(Diethylamino)ethyl alcohol|2-(N,N-Diethylamino)ethanol|2-DIAETHYLAMINOAETHANOL|2-Diethylamino ethanol|2-Diethylaminoethanol|2-Diethylaminoethyl alcohol|2-dietilaminoetanol|2-Hydroxytriethylamine|2-N-Diethylaminoethanol|beta-(diethylamino)ethyl alcohol|beta-Diethylaminoethanol|beta-Diethylaminoethyl alcohol|beta-hydroxytriethylamine|DEAE|Diaethylaminoaethanol|Diethyl(2-hydroxyethyl)amine|Diethyl(b-hydroxyethyl)amine|DIETHYLAMINOETHANOL|DIETHYLETHANOLAMINE|Diethylmonoethanolamine|EINECS 202-845-2|ETHANOL, 2-(DIETHYLAMINO)|Ethanol, 2-(diethylamino)-|ETHANOLAMINE, N,N-DIETHYL-|N-(2-Hydroxyethyl)diethylamine|N-Diethylaminoethanol|N,N-Diethyl-2-aminoethanol|N,N-Diethyl-2-hydroxyethylamine|N,N-Diethyl-N-(beta-hydroxyethyl)amine|N,N-Diethyl(2-hydroxyethyl)amine|N,N-DIETHYLAMINO ETHANOL|N,N-Diethylmonoethanolamine|N,N'-Diethylethanolamine|NSC 8759|UN 2686|UNII-S6DL4M053U|b-(Diethylamino)ethanol|102802-00-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021837 https://doi.org/10.22427/NTP-DATA-DTXSID5021837
ARPathway2016 ARPathway2016_396 N,N-Diethylethanolamine 100-37-8 DTXSID5021837 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCN(CC)CCO N,N-Diethylethanolamine 100-37-8|N,N-Diethylethanolamine|(2-Hydroxyethyl)diethylamine|(Diethylamino)ethanol|2-(Diethylamino)ethanol|2-(Diethylamino)ethyl alcohol|2-(N,N-Diethylamino)ethanol|2-DIAETHYLAMINOAETHANOL|2-Diethylamino ethanol|2-Diethylaminoethanol|2-Diethylaminoethyl alcohol|2-dietilaminoetanol|2-Hydroxytriethylamine|2-N-Diethylaminoethanol|beta-(diethylamino)ethyl alcohol|beta-Diethylaminoethanol|beta-Diethylaminoethyl alcohol|beta-hydroxytriethylamine|DEAE|Diaethylaminoaethanol|Diethyl(2-hydroxyethyl)amine|Diethyl(b-hydroxyethyl)amine|DIETHYLAMINOETHANOL|DIETHYLETHANOLAMINE|Diethylmonoethanolamine|EINECS 202-845-2|ETHANOL, 2-(DIETHYLAMINO)|Ethanol, 2-(diethylamino)-|ETHANOLAMINE, N,N-DIETHYL-|N-(2-Hydroxyethyl)diethylamine|N-Diethylaminoethanol|N,N-Diethyl-2-aminoethanol|N,N-Diethyl-2-hydroxyethylamine|N,N-Diethyl-N-(beta-hydroxyethyl)amine|N,N-Diethyl(2-hydroxyethyl)amine|N,N-DIETHYLAMINO ETHANOL|N,N-Diethylmonoethanolamine|N,N'-Diethylethanolamine|NSC 8759|UN 2686|UNII-S6DL4M053U|b-(Diethylamino)ethanol|102802-00-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021837 https://doi.org/10.22427/NTP-DATA-DTXSID5021837
ARPathway2016 ARPathway2016_396 N,N-Diethylethanolamine 100-37-8 DTXSID5021837 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCN(CC)CCO N,N-Diethylethanolamine 100-37-8|N,N-Diethylethanolamine|(2-Hydroxyethyl)diethylamine|(Diethylamino)ethanol|2-(Diethylamino)ethanol|2-(Diethylamino)ethyl alcohol|2-(N,N-Diethylamino)ethanol|2-DIAETHYLAMINOAETHANOL|2-Diethylamino ethanol|2-Diethylaminoethanol|2-Diethylaminoethyl alcohol|2-dietilaminoetanol|2-Hydroxytriethylamine|2-N-Diethylaminoethanol|beta-(diethylamino)ethyl alcohol|beta-Diethylaminoethanol|beta-Diethylaminoethyl alcohol|beta-hydroxytriethylamine|DEAE|Diaethylaminoaethanol|Diethyl(2-hydroxyethyl)amine|Diethyl(b-hydroxyethyl)amine|DIETHYLAMINOETHANOL|DIETHYLETHANOLAMINE|Diethylmonoethanolamine|EINECS 202-845-2|ETHANOL, 2-(DIETHYLAMINO)|Ethanol, 2-(diethylamino)-|ETHANOLAMINE, N,N-DIETHYL-|N-(2-Hydroxyethyl)diethylamine|N-Diethylaminoethanol|N,N-Diethyl-2-aminoethanol|N,N-Diethyl-2-hydroxyethylamine|N,N-Diethyl-N-(beta-hydroxyethyl)amine|N,N-Diethyl(2-hydroxyethyl)amine|N,N-DIETHYLAMINO ETHANOL|N,N-Diethylmonoethanolamine|N,N'-Diethylethanolamine|NSC 8759|UN 2686|UNII-S6DL4M053U|b-(Diethylamino)ethanol|102802-00-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021837 https://doi.org/10.22427/NTP-DATA-DTXSID5021837
ERPathway2016 ERPathway2016_1053 N,N-Diethylethanolamine 100-37-8 DTXSID5021837 ER Pathway Model, Agonist Model Score 0 Unitless CCN(CC)CCO N,N-Diethylethanolamine 100-37-8|N,N-Diethylethanolamine|(2-Hydroxyethyl)diethylamine|(Diethylamino)ethanol|2-(Diethylamino)ethanol|2-(Diethylamino)ethyl alcohol|2-(N,N-Diethylamino)ethanol|2-DIAETHYLAMINOAETHANOL|2-Diethylamino ethanol|2-Diethylaminoethanol|2-Diethylaminoethyl alcohol|2-dietilaminoetanol|2-Hydroxytriethylamine|2-N-Diethylaminoethanol|beta-(diethylamino)ethyl alcohol|beta-Diethylaminoethanol|beta-Diethylaminoethyl alcohol|beta-hydroxytriethylamine|DEAE|Diaethylaminoaethanol|Diethyl(2-hydroxyethyl)amine|Diethyl(b-hydroxyethyl)amine|DIETHYLAMINOETHANOL|DIETHYLETHANOLAMINE|Diethylmonoethanolamine|EINECS 202-845-2|ETHANOL, 2-(DIETHYLAMINO)|Ethanol, 2-(diethylamino)-|ETHANOLAMINE, N,N-DIETHYL-|N-(2-Hydroxyethyl)diethylamine|N-Diethylaminoethanol|N,N-Diethyl-2-aminoethanol|N,N-Diethyl-2-hydroxyethylamine|N,N-Diethyl-N-(beta-hydroxyethyl)amine|N,N-Diethyl(2-hydroxyethyl)amine|N,N-DIETHYLAMINO ETHANOL|N,N-Diethylmonoethanolamine|N,N'-Diethylethanolamine|NSC 8759|UN 2686|UNII-S6DL4M053U|b-(Diethylamino)ethanol|102802-00-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021837 https://doi.org/10.22427/NTP-DATA-DTXSID5021837
ERPathway2016 ERPathway2016_1053 N,N-Diethylethanolamine 100-37-8 DTXSID5021837 ER Pathway Model, Antagonist Model Score 0 Unitless CCN(CC)CCO N,N-Diethylethanolamine 100-37-8|N,N-Diethylethanolamine|(2-Hydroxyethyl)diethylamine|(Diethylamino)ethanol|2-(Diethylamino)ethanol|2-(Diethylamino)ethyl alcohol|2-(N,N-Diethylamino)ethanol|2-DIAETHYLAMINOAETHANOL|2-Diethylamino ethanol|2-Diethylaminoethanol|2-Diethylaminoethyl alcohol|2-dietilaminoetanol|2-Hydroxytriethylamine|2-N-Diethylaminoethanol|beta-(diethylamino)ethyl alcohol|beta-Diethylaminoethanol|beta-Diethylaminoethyl alcohol|beta-hydroxytriethylamine|DEAE|Diaethylaminoaethanol|Diethyl(2-hydroxyethyl)amine|Diethyl(b-hydroxyethyl)amine|DIETHYLAMINOETHANOL|DIETHYLETHANOLAMINE|Diethylmonoethanolamine|EINECS 202-845-2|ETHANOL, 2-(DIETHYLAMINO)|Ethanol, 2-(diethylamino)-|ETHANOLAMINE, N,N-DIETHYL-|N-(2-Hydroxyethyl)diethylamine|N-Diethylaminoethanol|N,N-Diethyl-2-aminoethanol|N,N-Diethyl-2-hydroxyethylamine|N,N-Diethyl-N-(beta-hydroxyethyl)amine|N,N-Diethyl(2-hydroxyethyl)amine|N,N-DIETHYLAMINO ETHANOL|N,N-Diethylmonoethanolamine|N,N'-Diethylethanolamine|NSC 8759|UN 2686|UNII-S6DL4M053U|b-(Diethylamino)ethanol|102802-00-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021837 https://doi.org/10.22427/NTP-DATA-DTXSID5021837
ERPathway2016 ERPathway2016_1053 N,N-Diethylethanolamine 100-37-8 DTXSID5021837 ER Pathway Model, Agonist Call Inactive Unitless CCN(CC)CCO N,N-Diethylethanolamine 100-37-8|N,N-Diethylethanolamine|(2-Hydroxyethyl)diethylamine|(Diethylamino)ethanol|2-(Diethylamino)ethanol|2-(Diethylamino)ethyl alcohol|2-(N,N-Diethylamino)ethanol|2-DIAETHYLAMINOAETHANOL|2-Diethylamino ethanol|2-Diethylaminoethanol|2-Diethylaminoethyl alcohol|2-dietilaminoetanol|2-Hydroxytriethylamine|2-N-Diethylaminoethanol|beta-(diethylamino)ethyl alcohol|beta-Diethylaminoethanol|beta-Diethylaminoethyl alcohol|beta-hydroxytriethylamine|DEAE|Diaethylaminoaethanol|Diethyl(2-hydroxyethyl)amine|Diethyl(b-hydroxyethyl)amine|DIETHYLAMINOETHANOL|DIETHYLETHANOLAMINE|Diethylmonoethanolamine|EINECS 202-845-2|ETHANOL, 2-(DIETHYLAMINO)|Ethanol, 2-(diethylamino)-|ETHANOLAMINE, N,N-DIETHYL-|N-(2-Hydroxyethyl)diethylamine|N-Diethylaminoethanol|N,N-Diethyl-2-aminoethanol|N,N-Diethyl-2-hydroxyethylamine|N,N-Diethyl-N-(beta-hydroxyethyl)amine|N,N-Diethyl(2-hydroxyethyl)amine|N,N-DIETHYLAMINO ETHANOL|N,N-Diethylmonoethanolamine|N,N'-Diethylethanolamine|NSC 8759|UN 2686|UNII-S6DL4M053U|b-(Diethylamino)ethanol|102802-00-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021837 https://doi.org/10.22427/NTP-DATA-DTXSID5021837
ERPathway2016 ERPathway2016_1053 N,N-Diethylethanolamine 100-37-8 DTXSID5021837 ER Pathway Model, Antagonist Call Inactive Unitless CCN(CC)CCO N,N-Diethylethanolamine 100-37-8|N,N-Diethylethanolamine|(2-Hydroxyethyl)diethylamine|(Diethylamino)ethanol|2-(Diethylamino)ethanol|2-(Diethylamino)ethyl alcohol|2-(N,N-Diethylamino)ethanol|2-DIAETHYLAMINOAETHANOL|2-Diethylamino ethanol|2-Diethylaminoethanol|2-Diethylaminoethyl alcohol|2-dietilaminoetanol|2-Hydroxytriethylamine|2-N-Diethylaminoethanol|beta-(diethylamino)ethyl alcohol|beta-Diethylaminoethanol|beta-Diethylaminoethyl alcohol|beta-hydroxytriethylamine|DEAE|Diaethylaminoaethanol|Diethyl(2-hydroxyethyl)amine|Diethyl(b-hydroxyethyl)amine|DIETHYLAMINOETHANOL|DIETHYLETHANOLAMINE|Diethylmonoethanolamine|EINECS 202-845-2|ETHANOL, 2-(DIETHYLAMINO)|Ethanol, 2-(diethylamino)-|ETHANOLAMINE, N,N-DIETHYL-|N-(2-Hydroxyethyl)diethylamine|N-Diethylaminoethanol|N,N-Diethyl-2-aminoethanol|N,N-Diethyl-2-hydroxyethylamine|N,N-Diethyl-N-(beta-hydroxyethyl)amine|N,N-Diethyl(2-hydroxyethyl)amine|N,N-DIETHYLAMINO ETHANOL|N,N-Diethylmonoethanolamine|N,N'-Diethylethanolamine|NSC 8759|UN 2686|UNII-S6DL4M053U|b-(Diethylamino)ethanol|102802-00-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021837 https://doi.org/10.22427/NTP-DATA-DTXSID5021837
ARPathway2016 ARPathway2016_459 N,N'-Diethylthiourea 105-55-5 DTXSID8020466 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCNC(=S)NCC N,N'-Diethylthiourea 105-55-5|N,N'-Diethylthiourea|1,3-Diethyl-2-thiourea|1,3-Diethylthiourea|BRN 0773905|DETU|diethylthiourea|EINECS 203-308-5|N,N-Diethyl-2-thiourea|N,N'-Diethylthiocarbamide|NCI-C03816|NSC 3507|Pennzone E|Thiate H|Thiourea, N,N'-diethyl-|UNII-J2RDK7O9MZ|USAF EK-1803|27598-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020466 https://doi.org/10.22427/NTP-DATA-DTXSID8020466
ARPathway2016 ARPathway2016_459 N,N'-Diethylthiourea 105-55-5 DTXSID8020466 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCNC(=S)NCC N,N'-Diethylthiourea 105-55-5|N,N'-Diethylthiourea|1,3-Diethyl-2-thiourea|1,3-Diethylthiourea|BRN 0773905|DETU|diethylthiourea|EINECS 203-308-5|N,N-Diethyl-2-thiourea|N,N'-Diethylthiocarbamide|NCI-C03816|NSC 3507|Pennzone E|Thiate H|Thiourea, N,N'-diethyl-|UNII-J2RDK7O9MZ|USAF EK-1803|27598-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020466 https://doi.org/10.22427/NTP-DATA-DTXSID8020466
ARPathway2016 ARPathway2016_459 N,N'-Diethylthiourea 105-55-5 DTXSID8020466 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCNC(=S)NCC N,N'-Diethylthiourea 105-55-5|N,N'-Diethylthiourea|1,3-Diethyl-2-thiourea|1,3-Diethylthiourea|BRN 0773905|DETU|diethylthiourea|EINECS 203-308-5|N,N-Diethyl-2-thiourea|N,N'-Diethylthiocarbamide|NCI-C03816|NSC 3507|Pennzone E|Thiate H|Thiourea, N,N'-diethyl-|UNII-J2RDK7O9MZ|USAF EK-1803|27598-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020466 https://doi.org/10.22427/NTP-DATA-DTXSID8020466
ARPathway2016 ARPathway2016_459 N,N'-Diethylthiourea 105-55-5 DTXSID8020466 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCNC(=S)NCC N,N'-Diethylthiourea 105-55-5|N,N'-Diethylthiourea|1,3-Diethyl-2-thiourea|1,3-Diethylthiourea|BRN 0773905|DETU|diethylthiourea|EINECS 203-308-5|N,N-Diethyl-2-thiourea|N,N'-Diethylthiocarbamide|NCI-C03816|NSC 3507|Pennzone E|Thiate H|Thiourea, N,N'-diethyl-|UNII-J2RDK7O9MZ|USAF EK-1803|27598-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020466 https://doi.org/10.22427/NTP-DATA-DTXSID8020466
ERPathway2016 ERPathway2016_340 N,N'-Diethylthiourea 105-55-5 DTXSID8020466 A3 ER Pathway Model, Antagonist AC50 0.13014797703937 uM CCNC(=S)NCC N,N'-Diethylthiourea 105-55-5|N,N'-Diethylthiourea|1,3-Diethyl-2-thiourea|1,3-Diethylthiourea|BRN 0773905|DETU|diethylthiourea|EINECS 203-308-5|N,N-Diethyl-2-thiourea|N,N'-Diethylthiocarbamide|NCI-C03816|NSC 3507|Pennzone E|Thiate H|Thiourea, N,N'-diethyl-|UNII-J2RDK7O9MZ|USAF EK-1803|27598-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020466 https://doi.org/10.22427/NTP-DATA-DTXSID8020466
ERPathway2016 ERPathway2016_340 N,N'-Diethylthiourea 105-55-5 DTXSID8020466 A3 ER Pathway Model, Antagonist ACC 0.122037577891363 uM CCNC(=S)NCC N,N'-Diethylthiourea 105-55-5|N,N'-Diethylthiourea|1,3-Diethyl-2-thiourea|1,3-Diethylthiourea|BRN 0773905|DETU|diethylthiourea|EINECS 203-308-5|N,N-Diethyl-2-thiourea|N,N'-Diethylthiocarbamide|NCI-C03816|NSC 3507|Pennzone E|Thiate H|Thiourea, N,N'-diethyl-|UNII-J2RDK7O9MZ|USAF EK-1803|27598-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020466 https://doi.org/10.22427/NTP-DATA-DTXSID8020466
ERPathway2016 ERPathway2016_340 N,N'-Diethylthiourea 105-55-5 DTXSID8020466 A3 ER Pathway Model, Agonist Model Score 0.0196 Unitless CCNC(=S)NCC N,N'-Diethylthiourea 105-55-5|N,N'-Diethylthiourea|1,3-Diethyl-2-thiourea|1,3-Diethylthiourea|BRN 0773905|DETU|diethylthiourea|EINECS 203-308-5|N,N-Diethyl-2-thiourea|N,N'-Diethylthiocarbamide|NCI-C03816|NSC 3507|Pennzone E|Thiate H|Thiourea, N,N'-diethyl-|UNII-J2RDK7O9MZ|USAF EK-1803|27598-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020466 https://doi.org/10.22427/NTP-DATA-DTXSID8020466
ERPathway2016 ERPathway2016_340 N,N'-Diethylthiourea 105-55-5 DTXSID8020466 A3 ER Pathway Model, Antagonist Model Score 0 Unitless CCNC(=S)NCC N,N'-Diethylthiourea 105-55-5|N,N'-Diethylthiourea|1,3-Diethyl-2-thiourea|1,3-Diethylthiourea|BRN 0773905|DETU|diethylthiourea|EINECS 203-308-5|N,N-Diethyl-2-thiourea|N,N'-Diethylthiocarbamide|NCI-C03816|NSC 3507|Pennzone E|Thiate H|Thiourea, N,N'-diethyl-|UNII-J2RDK7O9MZ|USAF EK-1803|27598-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020466 https://doi.org/10.22427/NTP-DATA-DTXSID8020466
ERPathway2016 ERPathway2016_340 N,N'-Diethylthiourea 105-55-5 DTXSID8020466 A3 ER Pathway Model, Agonist Call Inactive Unitless CCNC(=S)NCC N,N'-Diethylthiourea 105-55-5|N,N'-Diethylthiourea|1,3-Diethyl-2-thiourea|1,3-Diethylthiourea|BRN 0773905|DETU|diethylthiourea|EINECS 203-308-5|N,N-Diethyl-2-thiourea|N,N'-Diethylthiocarbamide|NCI-C03816|NSC 3507|Pennzone E|Thiate H|Thiourea, N,N'-diethyl-|UNII-J2RDK7O9MZ|USAF EK-1803|27598-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020466 https://doi.org/10.22427/NTP-DATA-DTXSID8020466
ERPathway2016 ERPathway2016_340 N,N'-Diethylthiourea 105-55-5 DTXSID8020466 A3 ER Pathway Model, Antagonist Call Active Unitless CCNC(=S)NCC N,N'-Diethylthiourea 105-55-5|N,N'-Diethylthiourea|1,3-Diethyl-2-thiourea|1,3-Diethylthiourea|BRN 0773905|DETU|diethylthiourea|EINECS 203-308-5|N,N-Diethyl-2-thiourea|N,N'-Diethylthiocarbamide|NCI-C03816|NSC 3507|Pennzone E|Thiate H|Thiourea, N,N'-diethyl-|UNII-J2RDK7O9MZ|USAF EK-1803|27598-95-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020466 https://doi.org/10.22427/NTP-DATA-DTXSID8020466
ARPathway2016 ARPathway2016_1194 N,N-Diisopropylaniline 4107-98-6 DTXSID8042189 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)N(C(C)C)C1=CC=CC=C1 N,N-Diisopropylaniline 4107-98-6|N,N-Diisopropylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042189
ARPathway2016 ARPathway2016_1194 N,N-Diisopropylaniline 4107-98-6 DTXSID8042189 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)N(C(C)C)C1=CC=CC=C1 N,N-Diisopropylaniline 4107-98-6|N,N-Diisopropylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042189
ARPathway2016 ARPathway2016_1194 N,N-Diisopropylaniline 4107-98-6 DTXSID8042189 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)N(C(C)C)C1=CC=CC=C1 N,N-Diisopropylaniline 4107-98-6|N,N-Diisopropylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042189
ARPathway2016 ARPathway2016_1194 N,N-Diisopropylaniline 4107-98-6 DTXSID8042189 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)N(C(C)C)C1=CC=CC=C1 N,N-Diisopropylaniline 4107-98-6|N,N-Diisopropylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042189
ERPathway2016 ERPathway2016_1479 N,N-Diisopropylaniline 4107-98-6 DTXSID8042189 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)N(C(C)C)C1=CC=CC=C1 N,N-Diisopropylaniline 4107-98-6|N,N-Diisopropylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042189
ERPathway2016 ERPathway2016_1479 N,N-Diisopropylaniline 4107-98-6 DTXSID8042189 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)N(C(C)C)C1=CC=CC=C1 N,N-Diisopropylaniline 4107-98-6|N,N-Diisopropylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042189
ERPathway2016 ERPathway2016_1479 N,N-Diisopropylaniline 4107-98-6 DTXSID8042189 ER Pathway Model, Agonist Call Inactive Unitless CC(C)N(C(C)C)C1=CC=CC=C1 N,N-Diisopropylaniline 4107-98-6|N,N-Diisopropylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042189
ERPathway2016 ERPathway2016_1479 N,N-Diisopropylaniline 4107-98-6 DTXSID8042189 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)N(C(C)C)C1=CC=CC=C1 N,N-Diisopropylaniline 4107-98-6|N,N-Diisopropylaniline https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042189
ARPathway2016 ARPathway2016_754 N,N-Dimethylacetamide 127-19-5 DTXSID5020499 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C(C)=O N,N-Dimethylacetamide 127-19-5|N,N-Dimethylacetamide|Acetamide, N,N-dimethyl-|Acetdimethylamide|Acetic acid dimethylamide|Acetic acid, dimethylamide|Acetyldimethylamine|DIMETHYL ACETAMIDE|Dimethylacetamide|Dimethylacetone amide|Dimethylamid kyseliny octove|Dimethylamide acetate|EINECS 204-826-4|ESSIGSAEURE-DIMETHYLAMID|N-Dodecene|N,N-Dimethylacetamid|N,N-Dimethylethanamide|N,N-dimetilacetamida|NSC 3138|UNII-JCV5VDB3HY https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020499 https://doi.org/10.22427/NTP-DATA-DTXSID5020499
ARPathway2016 ARPathway2016_754 N,N-Dimethylacetamide 127-19-5 DTXSID5020499 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN(C)C(C)=O N,N-Dimethylacetamide 127-19-5|N,N-Dimethylacetamide|Acetamide, N,N-dimethyl-|Acetdimethylamide|Acetic acid dimethylamide|Acetic acid, dimethylamide|Acetyldimethylamine|DIMETHYL ACETAMIDE|Dimethylacetamide|Dimethylacetone amide|Dimethylamid kyseliny octove|Dimethylamide acetate|EINECS 204-826-4|ESSIGSAEURE-DIMETHYLAMID|N-Dodecene|N,N-Dimethylacetamid|N,N-Dimethylethanamide|N,N-dimetilacetamida|NSC 3138|UNII-JCV5VDB3HY https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020499 https://doi.org/10.22427/NTP-DATA-DTXSID5020499
ARPathway2016 ARPathway2016_754 N,N-Dimethylacetamide 127-19-5 DTXSID5020499 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(C)=O N,N-Dimethylacetamide 127-19-5|N,N-Dimethylacetamide|Acetamide, N,N-dimethyl-|Acetdimethylamide|Acetic acid dimethylamide|Acetic acid, dimethylamide|Acetyldimethylamine|DIMETHYL ACETAMIDE|Dimethylacetamide|Dimethylacetone amide|Dimethylamid kyseliny octove|Dimethylamide acetate|EINECS 204-826-4|ESSIGSAEURE-DIMETHYLAMID|N-Dodecene|N,N-Dimethylacetamid|N,N-Dimethylethanamide|N,N-dimetilacetamida|NSC 3138|UNII-JCV5VDB3HY https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020499 https://doi.org/10.22427/NTP-DATA-DTXSID5020499
ARPathway2016 ARPathway2016_754 N,N-Dimethylacetamide 127-19-5 DTXSID5020499 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C(C)=O N,N-Dimethylacetamide 127-19-5|N,N-Dimethylacetamide|Acetamide, N,N-dimethyl-|Acetdimethylamide|Acetic acid dimethylamide|Acetic acid, dimethylamide|Acetyldimethylamine|DIMETHYL ACETAMIDE|Dimethylacetamide|Dimethylacetone amide|Dimethylamid kyseliny octove|Dimethylamide acetate|EINECS 204-826-4|ESSIGSAEURE-DIMETHYLAMID|N-Dodecene|N,N-Dimethylacetamid|N,N-Dimethylethanamide|N,N-dimetilacetamida|NSC 3138|UNII-JCV5VDB3HY https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020499 https://doi.org/10.22427/NTP-DATA-DTXSID5020499
ERPathway2016 ERPathway2016_1261 N,N-Dimethylacetamide 127-19-5 DTXSID5020499 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)C(C)=O N,N-Dimethylacetamide 127-19-5|N,N-Dimethylacetamide|Acetamide, N,N-dimethyl-|Acetdimethylamide|Acetic acid dimethylamide|Acetic acid, dimethylamide|Acetyldimethylamine|DIMETHYL ACETAMIDE|Dimethylacetamide|Dimethylacetone amide|Dimethylamid kyseliny octove|Dimethylamide acetate|EINECS 204-826-4|ESSIGSAEURE-DIMETHYLAMID|N-Dodecene|N,N-Dimethylacetamid|N,N-Dimethylethanamide|N,N-dimetilacetamida|NSC 3138|UNII-JCV5VDB3HY https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020499 https://doi.org/10.22427/NTP-DATA-DTXSID5020499
ERPathway2016 ERPathway2016_1261 N,N-Dimethylacetamide 127-19-5 DTXSID5020499 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(C)=O N,N-Dimethylacetamide 127-19-5|N,N-Dimethylacetamide|Acetamide, N,N-dimethyl-|Acetdimethylamide|Acetic acid dimethylamide|Acetic acid, dimethylamide|Acetyldimethylamine|DIMETHYL ACETAMIDE|Dimethylacetamide|Dimethylacetone amide|Dimethylamid kyseliny octove|Dimethylamide acetate|EINECS 204-826-4|ESSIGSAEURE-DIMETHYLAMID|N-Dodecene|N,N-Dimethylacetamid|N,N-Dimethylethanamide|N,N-dimetilacetamida|NSC 3138|UNII-JCV5VDB3HY https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020499 https://doi.org/10.22427/NTP-DATA-DTXSID5020499
ERPathway2016 ERPathway2016_1261 N,N-Dimethylacetamide 127-19-5 DTXSID5020499 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C(C)=O N,N-Dimethylacetamide 127-19-5|N,N-Dimethylacetamide|Acetamide, N,N-dimethyl-|Acetdimethylamide|Acetic acid dimethylamide|Acetic acid, dimethylamide|Acetyldimethylamine|DIMETHYL ACETAMIDE|Dimethylacetamide|Dimethylacetone amide|Dimethylamid kyseliny octove|Dimethylamide acetate|EINECS 204-826-4|ESSIGSAEURE-DIMETHYLAMID|N-Dodecene|N,N-Dimethylacetamid|N,N-Dimethylethanamide|N,N-dimetilacetamida|NSC 3138|UNII-JCV5VDB3HY https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020499 https://doi.org/10.22427/NTP-DATA-DTXSID5020499
ERPathway2016 ERPathway2016_1261 N,N-Dimethylacetamide 127-19-5 DTXSID5020499 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)C(C)=O N,N-Dimethylacetamide 127-19-5|N,N-Dimethylacetamide|Acetamide, N,N-dimethyl-|Acetdimethylamide|Acetic acid dimethylamide|Acetic acid, dimethylamide|Acetyldimethylamine|DIMETHYL ACETAMIDE|Dimethylacetamide|Dimethylacetone amide|Dimethylamid kyseliny octove|Dimethylamide acetate|EINECS 204-826-4|ESSIGSAEURE-DIMETHYLAMID|N-Dodecene|N,N-Dimethylacetamid|N,N-Dimethylethanamide|N,N-dimetilacetamida|NSC 3138|UNII-JCV5VDB3HY https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020499 https://doi.org/10.22427/NTP-DATA-DTXSID5020499
ARPathway2016 ARPathway2016_979 N,N-Dimethylacetoacetamide 2044-64-6 DTXSID8027454 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(=O)CC(C)=O N,N-Dimethylacetoacetamide 2044-64-6|N,N-Dimethylacetoacetamide|4-04-00-00260|Acetylacetamide, N,N-dimethyl-|BRN 1755038|Butanamide, N,N-dimethyl-3-oxo-|Dimethylamid kyseliny acetoctove|EINECS 218-059-8|N,N-Dimethyl-3-oxobutanamide|NSC 524755|UNII-7E2L0OAA4K https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027454 https://doi.org/10.22427/NTP-DATA-DTXSID8027454
ARPathway2016 ARPathway2016_979 N,N-Dimethylacetoacetamide 2044-64-6 DTXSID8027454 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C(=O)CC(C)=O N,N-Dimethylacetoacetamide 2044-64-6|N,N-Dimethylacetoacetamide|4-04-00-00260|Acetylacetamide, N,N-dimethyl-|BRN 1755038|Butanamide, N,N-dimethyl-3-oxo-|Dimethylamid kyseliny acetoctove|EINECS 218-059-8|N,N-Dimethyl-3-oxobutanamide|NSC 524755|UNII-7E2L0OAA4K https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027454 https://doi.org/10.22427/NTP-DATA-DTXSID8027454
ARPathway2016 ARPathway2016_979 N,N-Dimethylacetoacetamide 2044-64-6 DTXSID8027454 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CN(C)C(=O)CC(C)=O N,N-Dimethylacetoacetamide 2044-64-6|N,N-Dimethylacetoacetamide|4-04-00-00260|Acetylacetamide, N,N-dimethyl-|BRN 1755038|Butanamide, N,N-dimethyl-3-oxo-|Dimethylamid kyseliny acetoctove|EINECS 218-059-8|N,N-Dimethyl-3-oxobutanamide|NSC 524755|UNII-7E2L0OAA4K https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027454 https://doi.org/10.22427/NTP-DATA-DTXSID8027454
ARPathway2016 ARPathway2016_979 N,N-Dimethylacetoacetamide 2044-64-6 DTXSID8027454 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C(=O)CC(C)=O N,N-Dimethylacetoacetamide 2044-64-6|N,N-Dimethylacetoacetamide|4-04-00-00260|Acetylacetamide, N,N-dimethyl-|BRN 1755038|Butanamide, N,N-dimethyl-3-oxo-|Dimethylamid kyseliny acetoctove|EINECS 218-059-8|N,N-Dimethyl-3-oxobutanamide|NSC 524755|UNII-7E2L0OAA4K https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027454 https://doi.org/10.22427/NTP-DATA-DTXSID8027454
ERPathway2016 ERPathway2016_1368 N,N-Dimethylacetoacetamide 2044-64-6 DTXSID8027454 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)C(=O)CC(C)=O N,N-Dimethylacetoacetamide 2044-64-6|N,N-Dimethylacetoacetamide|4-04-00-00260|Acetylacetamide, N,N-dimethyl-|BRN 1755038|Butanamide, N,N-dimethyl-3-oxo-|Dimethylamid kyseliny acetoctove|EINECS 218-059-8|N,N-Dimethyl-3-oxobutanamide|NSC 524755|UNII-7E2L0OAA4K https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027454 https://doi.org/10.22427/NTP-DATA-DTXSID8027454
ERPathway2016 ERPathway2016_1368 N,N-Dimethylacetoacetamide 2044-64-6 DTXSID8027454 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(=O)CC(C)=O N,N-Dimethylacetoacetamide 2044-64-6|N,N-Dimethylacetoacetamide|4-04-00-00260|Acetylacetamide, N,N-dimethyl-|BRN 1755038|Butanamide, N,N-dimethyl-3-oxo-|Dimethylamid kyseliny acetoctove|EINECS 218-059-8|N,N-Dimethyl-3-oxobutanamide|NSC 524755|UNII-7E2L0OAA4K https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027454 https://doi.org/10.22427/NTP-DATA-DTXSID8027454
ERPathway2016 ERPathway2016_1368 N,N-Dimethylacetoacetamide 2044-64-6 DTXSID8027454 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C(=O)CC(C)=O N,N-Dimethylacetoacetamide 2044-64-6|N,N-Dimethylacetoacetamide|4-04-00-00260|Acetylacetamide, N,N-dimethyl-|BRN 1755038|Butanamide, N,N-dimethyl-3-oxo-|Dimethylamid kyseliny acetoctove|EINECS 218-059-8|N,N-Dimethyl-3-oxobutanamide|NSC 524755|UNII-7E2L0OAA4K https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027454 https://doi.org/10.22427/NTP-DATA-DTXSID8027454
ERPathway2016 ERPathway2016_1368 N,N-Dimethylacetoacetamide 2044-64-6 DTXSID8027454 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)C(=O)CC(C)=O N,N-Dimethylacetoacetamide 2044-64-6|N,N-Dimethylacetoacetamide|4-04-00-00260|Acetylacetamide, N,N-dimethyl-|BRN 1755038|Butanamide, N,N-dimethyl-3-oxo-|Dimethylamid kyseliny acetoctove|EINECS 218-059-8|N,N-Dimethyl-3-oxobutanamide|NSC 524755|UNII-7E2L0OAA4K https://comptox.epa.gov/dashboard/chemical/details/DTXSID8027454 https://doi.org/10.22427/NTP-DATA-DTXSID8027454
ARPathway2016 ARPathway2016_690 N,N-Dimethylaniline 121-69-7 DTXSID2020507 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)C1=CC=CC=C1 N,N-Dimethylaniline 121-69-7|N,N-Dimethylaniline|(Dimethylamino)benzene|ANILINE DIMETHYL|ANILINE, N,N-DIMETHYL-|Benzenamine, N,N-dimethyl-|Dimethyl-phenyl-amine|Dimethylaniline|Dimethylphenylamine|Dwumetyloanilina|EINECS 204-493-5|N,N-(Dimethylamino)benzene|N,N-Dimethyl-N-phenylamine|N,N-Dimethylaminobenzene|N,N-Dimethylanilin|N,N-Dimethylbenzenamine|N,N-DIMETHYLBENZENEAMINE|N,N-Dimethylphenylamine|N,N-dimetilanilina|NCI-C56428|NSC 7195|UN 2253|UNII-7426719369|Versneller NL 63/10|162744-63-0|168153-21-7|171745-67-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020507 https://doi.org/10.22427/NTP-DATA-DTXSID2020507
ARPathway2016 ARPathway2016_690 N,N-Dimethylaniline 121-69-7 DTXSID2020507 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C1=CC=CC=C1 N,N-Dimethylaniline 121-69-7|N,N-Dimethylaniline|(Dimethylamino)benzene|ANILINE DIMETHYL|ANILINE, N,N-DIMETHYL-|Benzenamine, N,N-dimethyl-|Dimethyl-phenyl-amine|Dimethylaniline|Dimethylphenylamine|Dwumetyloanilina|EINECS 204-493-5|N,N-(Dimethylamino)benzene|N,N-Dimethyl-N-phenylamine|N,N-Dimethylaminobenzene|N,N-Dimethylanilin|N,N-Dimethylbenzenamine|N,N-DIMETHYLBENZENEAMINE|N,N-Dimethylphenylamine|N,N-dimetilanilina|NCI-C56428|NSC 7195|UN 2253|UNII-7426719369|Versneller NL 63/10|162744-63-0|168153-21-7|171745-67-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020507 https://doi.org/10.22427/NTP-DATA-DTXSID2020507
ARPathway2016 ARPathway2016_690 N,N-Dimethylaniline 121-69-7 DTXSID2020507 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN(C)C1=CC=CC=C1 N,N-Dimethylaniline 121-69-7|N,N-Dimethylaniline|(Dimethylamino)benzene|ANILINE DIMETHYL|ANILINE, N,N-DIMETHYL-|Benzenamine, N,N-dimethyl-|Dimethyl-phenyl-amine|Dimethylaniline|Dimethylphenylamine|Dwumetyloanilina|EINECS 204-493-5|N,N-(Dimethylamino)benzene|N,N-Dimethyl-N-phenylamine|N,N-Dimethylaminobenzene|N,N-Dimethylanilin|N,N-Dimethylbenzenamine|N,N-DIMETHYLBENZENEAMINE|N,N-Dimethylphenylamine|N,N-dimetilanilina|NCI-C56428|NSC 7195|UN 2253|UNII-7426719369|Versneller NL 63/10|162744-63-0|168153-21-7|171745-67-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020507 https://doi.org/10.22427/NTP-DATA-DTXSID2020507
ARPathway2016 ARPathway2016_690 N,N-Dimethylaniline 121-69-7 DTXSID2020507 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C1=CC=CC=C1 N,N-Dimethylaniline 121-69-7|N,N-Dimethylaniline|(Dimethylamino)benzene|ANILINE DIMETHYL|ANILINE, N,N-DIMETHYL-|Benzenamine, N,N-dimethyl-|Dimethyl-phenyl-amine|Dimethylaniline|Dimethylphenylamine|Dwumetyloanilina|EINECS 204-493-5|N,N-(Dimethylamino)benzene|N,N-Dimethyl-N-phenylamine|N,N-Dimethylaminobenzene|N,N-Dimethylanilin|N,N-Dimethylbenzenamine|N,N-DIMETHYLBENZENEAMINE|N,N-Dimethylphenylamine|N,N-dimetilanilina|NCI-C56428|NSC 7195|UN 2253|UNII-7426719369|Versneller NL 63/10|162744-63-0|168153-21-7|171745-67-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020507 https://doi.org/10.22427/NTP-DATA-DTXSID2020507
ERPathway2016 ERPathway2016_1218 N,N-Dimethylaniline 121-69-7 DTXSID2020507 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)C1=CC=CC=C1 N,N-Dimethylaniline 121-69-7|N,N-Dimethylaniline|(Dimethylamino)benzene|ANILINE DIMETHYL|ANILINE, N,N-DIMETHYL-|Benzenamine, N,N-dimethyl-|Dimethyl-phenyl-amine|Dimethylaniline|Dimethylphenylamine|Dwumetyloanilina|EINECS 204-493-5|N,N-(Dimethylamino)benzene|N,N-Dimethyl-N-phenylamine|N,N-Dimethylaminobenzene|N,N-Dimethylanilin|N,N-Dimethylbenzenamine|N,N-DIMETHYLBENZENEAMINE|N,N-Dimethylphenylamine|N,N-dimetilanilina|NCI-C56428|NSC 7195|UN 2253|UNII-7426719369|Versneller NL 63/10|162744-63-0|168153-21-7|171745-67-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020507 https://doi.org/10.22427/NTP-DATA-DTXSID2020507
ERPathway2016 ERPathway2016_1218 N,N-Dimethylaniline 121-69-7 DTXSID2020507 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C1=CC=CC=C1 N,N-Dimethylaniline 121-69-7|N,N-Dimethylaniline|(Dimethylamino)benzene|ANILINE DIMETHYL|ANILINE, N,N-DIMETHYL-|Benzenamine, N,N-dimethyl-|Dimethyl-phenyl-amine|Dimethylaniline|Dimethylphenylamine|Dwumetyloanilina|EINECS 204-493-5|N,N-(Dimethylamino)benzene|N,N-Dimethyl-N-phenylamine|N,N-Dimethylaminobenzene|N,N-Dimethylanilin|N,N-Dimethylbenzenamine|N,N-DIMETHYLBENZENEAMINE|N,N-Dimethylphenylamine|N,N-dimetilanilina|NCI-C56428|NSC 7195|UN 2253|UNII-7426719369|Versneller NL 63/10|162744-63-0|168153-21-7|171745-67-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020507 https://doi.org/10.22427/NTP-DATA-DTXSID2020507
ERPathway2016 ERPathway2016_1218 N,N-Dimethylaniline 121-69-7 DTXSID2020507 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C1=CC=CC=C1 N,N-Dimethylaniline 121-69-7|N,N-Dimethylaniline|(Dimethylamino)benzene|ANILINE DIMETHYL|ANILINE, N,N-DIMETHYL-|Benzenamine, N,N-dimethyl-|Dimethyl-phenyl-amine|Dimethylaniline|Dimethylphenylamine|Dwumetyloanilina|EINECS 204-493-5|N,N-(Dimethylamino)benzene|N,N-Dimethyl-N-phenylamine|N,N-Dimethylaminobenzene|N,N-Dimethylanilin|N,N-Dimethylbenzenamine|N,N-DIMETHYLBENZENEAMINE|N,N-Dimethylphenylamine|N,N-dimetilanilina|NCI-C56428|NSC 7195|UN 2253|UNII-7426719369|Versneller NL 63/10|162744-63-0|168153-21-7|171745-67-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020507 https://doi.org/10.22427/NTP-DATA-DTXSID2020507
ERPathway2016 ERPathway2016_1218 N,N-Dimethylaniline 121-69-7 DTXSID2020507 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)C1=CC=CC=C1 N,N-Dimethylaniline 121-69-7|N,N-Dimethylaniline|(Dimethylamino)benzene|ANILINE DIMETHYL|ANILINE, N,N-DIMETHYL-|Benzenamine, N,N-dimethyl-|Dimethyl-phenyl-amine|Dimethylaniline|Dimethylphenylamine|Dwumetyloanilina|EINECS 204-493-5|N,N-(Dimethylamino)benzene|N,N-Dimethyl-N-phenylamine|N,N-Dimethylaminobenzene|N,N-Dimethylanilin|N,N-Dimethylbenzenamine|N,N-DIMETHYLBENZENEAMINE|N,N-Dimethylphenylamine|N,N-dimetilanilina|NCI-C56428|NSC 7195|UN 2253|UNII-7426719369|Versneller NL 63/10|162744-63-0|168153-21-7|171745-67-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020507 https://doi.org/10.22427/NTP-DATA-DTXSID2020507
ARPathway2016 ARPathway2016_1066 N,N-Dimethyldecylamine oxide 2605-79-0 DTXSID7042190 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCC[N+](C)(C)[O-] N,N-Dimethyldecylamine oxide 2605-79-0|N,N-Dimethyldecylamine oxide|1-Decanamine, N,N-dimethyl-, N-oxide|Capric dimethyl amine oxide|Decyl dimethyl amine oxide|Decylamine oxide|decylamine-N,N-dimethyl-N-oxide|EINECS 220-020-5|N,N-Dimethyl-1-decanamine-N-oxide|N,N-dimethyldecylamine N-oxide|UNII-G387VUT5EZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042190
ARPathway2016 ARPathway2016_1066 N,N-Dimethyldecylamine oxide 2605-79-0 DTXSID7042190 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCC[N+](C)(C)[O-] N,N-Dimethyldecylamine oxide 2605-79-0|N,N-Dimethyldecylamine oxide|1-Decanamine, N,N-dimethyl-, N-oxide|Capric dimethyl amine oxide|Decyl dimethyl amine oxide|Decylamine oxide|decylamine-N,N-dimethyl-N-oxide|EINECS 220-020-5|N,N-Dimethyl-1-decanamine-N-oxide|N,N-dimethyldecylamine N-oxide|UNII-G387VUT5EZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042190
ARPathway2016 ARPathway2016_1066 N,N-Dimethyldecylamine oxide 2605-79-0 DTXSID7042190 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCC[N+](C)(C)[O-] N,N-Dimethyldecylamine oxide 2605-79-0|N,N-Dimethyldecylamine oxide|1-Decanamine, N,N-dimethyl-, N-oxide|Capric dimethyl amine oxide|Decyl dimethyl amine oxide|Decylamine oxide|decylamine-N,N-dimethyl-N-oxide|EINECS 220-020-5|N,N-Dimethyl-1-decanamine-N-oxide|N,N-dimethyldecylamine N-oxide|UNII-G387VUT5EZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042190
ARPathway2016 ARPathway2016_1066 N,N-Dimethyldecylamine oxide 2605-79-0 DTXSID7042190 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCC[N+](C)(C)[O-] N,N-Dimethyldecylamine oxide 2605-79-0|N,N-Dimethyldecylamine oxide|1-Decanamine, N,N-dimethyl-, N-oxide|Capric dimethyl amine oxide|Decyl dimethyl amine oxide|Decylamine oxide|decylamine-N,N-dimethyl-N-oxide|EINECS 220-020-5|N,N-Dimethyl-1-decanamine-N-oxide|N,N-dimethyldecylamine N-oxide|UNII-G387VUT5EZ https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042190
ARPathway2016 ARPathway2016_598 N,N-Dimethyldodecan-1-amine 112-18-5 DTXSID1026906 1.0 A4 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCN(C)C N,N-Dimethyldodecan-1-amine 112-18-5|N,N-Dimethyldodecan-1-amine|(Dimethylamino)dodecane|1-Dodecanamine, N,N-dimethyl-|Antioxidant DDA|Armeen DM 12D|Armeen DM-12D|Barlene 125|Barlene 12S|Dimethyl Lauramine|DIMETHYL-DODECYL-AMIN|Dimethyl-n-dodecylamine|DODECAN-1-AMINE, N,N-DIMETHYL-|dodecildimetilamina|Dodecylamine, N,N-dimethyl-|Dodecyldimethylamin|Dodecyldimethylamine|EINECS 203-943-8|Empigen AB|Farmin DM 20|Farmin DM 2098|Genamin LA 302D|Lauryldimethylamine|Monolauryl dimethylamine|N-Dodecyl-N,N-dimethylamine|N-Dodecyldimethylamine|N-Lauryldimethylamine|N,N-Dimethyl-1-dodecanamine|N,N-Dimethyl-n-dodecylamine|N,N-Dimethyldodecylamine|N,N-Dimethyllaurylamine|NSC 7332|UNII-6V2OM30I1Z|352546-19-1|52622-54-5|83855-86-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026906
ARPathway2016 ARPathway2016_598 N,N-Dimethyldodecan-1-amine 112-18-5 DTXSID1026906 1.0 A4 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCN(C)C N,N-Dimethyldodecan-1-amine 112-18-5|N,N-Dimethyldodecan-1-amine|(Dimethylamino)dodecane|1-Dodecanamine, N,N-dimethyl-|Antioxidant DDA|Armeen DM 12D|Armeen DM-12D|Barlene 125|Barlene 12S|Dimethyl Lauramine|DIMETHYL-DODECYL-AMIN|Dimethyl-n-dodecylamine|DODECAN-1-AMINE, N,N-DIMETHYL-|dodecildimetilamina|Dodecylamine, N,N-dimethyl-|Dodecyldimethylamin|Dodecyldimethylamine|EINECS 203-943-8|Empigen AB|Farmin DM 20|Farmin DM 2098|Genamin LA 302D|Lauryldimethylamine|Monolauryl dimethylamine|N-Dodecyl-N,N-dimethylamine|N-Dodecyldimethylamine|N-Lauryldimethylamine|N,N-Dimethyl-1-dodecanamine|N,N-Dimethyl-n-dodecylamine|N,N-Dimethyldodecylamine|N,N-Dimethyllaurylamine|NSC 7332|UNII-6V2OM30I1Z|352546-19-1|52622-54-5|83855-86-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026906
ARPathway2016 ARPathway2016_598 N,N-Dimethyldodecan-1-amine 112-18-5 DTXSID1026906 1.0 A4 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCN(C)C N,N-Dimethyldodecan-1-amine 112-18-5|N,N-Dimethyldodecan-1-amine|(Dimethylamino)dodecane|1-Dodecanamine, N,N-dimethyl-|Antioxidant DDA|Armeen DM 12D|Armeen DM-12D|Barlene 125|Barlene 12S|Dimethyl Lauramine|DIMETHYL-DODECYL-AMIN|Dimethyl-n-dodecylamine|DODECAN-1-AMINE, N,N-DIMETHYL-|dodecildimetilamina|Dodecylamine, N,N-dimethyl-|Dodecyldimethylamin|Dodecyldimethylamine|EINECS 203-943-8|Empigen AB|Farmin DM 20|Farmin DM 2098|Genamin LA 302D|Lauryldimethylamine|Monolauryl dimethylamine|N-Dodecyl-N,N-dimethylamine|N-Dodecyldimethylamine|N-Lauryldimethylamine|N,N-Dimethyl-1-dodecanamine|N,N-Dimethyl-n-dodecylamine|N,N-Dimethyldodecylamine|N,N-Dimethyllaurylamine|NSC 7332|UNII-6V2OM30I1Z|352546-19-1|52622-54-5|83855-86-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026906
ARPathway2016 ARPathway2016_598 N,N-Dimethyldodecan-1-amine 112-18-5 DTXSID1026906 1.0 A4 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCN(C)C N,N-Dimethyldodecan-1-amine 112-18-5|N,N-Dimethyldodecan-1-amine|(Dimethylamino)dodecane|1-Dodecanamine, N,N-dimethyl-|Antioxidant DDA|Armeen DM 12D|Armeen DM-12D|Barlene 125|Barlene 12S|Dimethyl Lauramine|DIMETHYL-DODECYL-AMIN|Dimethyl-n-dodecylamine|DODECAN-1-AMINE, N,N-DIMETHYL-|dodecildimetilamina|Dodecylamine, N,N-dimethyl-|Dodecyldimethylamin|Dodecyldimethylamine|EINECS 203-943-8|Empigen AB|Farmin DM 20|Farmin DM 2098|Genamin LA 302D|Lauryldimethylamine|Monolauryl dimethylamine|N-Dodecyl-N,N-dimethylamine|N-Dodecyldimethylamine|N-Lauryldimethylamine|N,N-Dimethyl-1-dodecanamine|N,N-Dimethyl-n-dodecylamine|N,N-Dimethyldodecylamine|N,N-Dimethyllaurylamine|NSC 7332|UNII-6V2OM30I1Z|352546-19-1|52622-54-5|83855-86-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026906
ERPathway2016 ERPathway2016_962 N,N-Dimethyldodecan-1-amine 112-18-5 DTXSID1026906 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCN(C)C N,N-Dimethyldodecan-1-amine 112-18-5|N,N-Dimethyldodecan-1-amine|(Dimethylamino)dodecane|1-Dodecanamine, N,N-dimethyl-|Antioxidant DDA|Armeen DM 12D|Armeen DM-12D|Barlene 125|Barlene 12S|Dimethyl Lauramine|DIMETHYL-DODECYL-AMIN|Dimethyl-n-dodecylamine|DODECAN-1-AMINE, N,N-DIMETHYL-|dodecildimetilamina|Dodecylamine, N,N-dimethyl-|Dodecyldimethylamin|Dodecyldimethylamine|EINECS 203-943-8|Empigen AB|Farmin DM 20|Farmin DM 2098|Genamin LA 302D|Lauryldimethylamine|Monolauryl dimethylamine|N-Dodecyl-N,N-dimethylamine|N-Dodecyldimethylamine|N-Lauryldimethylamine|N,N-Dimethyl-1-dodecanamine|N,N-Dimethyl-n-dodecylamine|N,N-Dimethyldodecylamine|N,N-Dimethyllaurylamine|NSC 7332|UNII-6V2OM30I1Z|352546-19-1|52622-54-5|83855-86-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026906
ERPathway2016 ERPathway2016_962 N,N-Dimethyldodecan-1-amine 112-18-5 DTXSID1026906 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCN(C)C N,N-Dimethyldodecan-1-amine 112-18-5|N,N-Dimethyldodecan-1-amine|(Dimethylamino)dodecane|1-Dodecanamine, N,N-dimethyl-|Antioxidant DDA|Armeen DM 12D|Armeen DM-12D|Barlene 125|Barlene 12S|Dimethyl Lauramine|DIMETHYL-DODECYL-AMIN|Dimethyl-n-dodecylamine|DODECAN-1-AMINE, N,N-DIMETHYL-|dodecildimetilamina|Dodecylamine, N,N-dimethyl-|Dodecyldimethylamin|Dodecyldimethylamine|EINECS 203-943-8|Empigen AB|Farmin DM 20|Farmin DM 2098|Genamin LA 302D|Lauryldimethylamine|Monolauryl dimethylamine|N-Dodecyl-N,N-dimethylamine|N-Dodecyldimethylamine|N-Lauryldimethylamine|N,N-Dimethyl-1-dodecanamine|N,N-Dimethyl-n-dodecylamine|N,N-Dimethyldodecylamine|N,N-Dimethyllaurylamine|NSC 7332|UNII-6V2OM30I1Z|352546-19-1|52622-54-5|83855-86-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026906
ERPathway2016 ERPathway2016_962 N,N-Dimethyldodecan-1-amine 112-18-5 DTXSID1026906 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCN(C)C N,N-Dimethyldodecan-1-amine 112-18-5|N,N-Dimethyldodecan-1-amine|(Dimethylamino)dodecane|1-Dodecanamine, N,N-dimethyl-|Antioxidant DDA|Armeen DM 12D|Armeen DM-12D|Barlene 125|Barlene 12S|Dimethyl Lauramine|DIMETHYL-DODECYL-AMIN|Dimethyl-n-dodecylamine|DODECAN-1-AMINE, N,N-DIMETHYL-|dodecildimetilamina|Dodecylamine, N,N-dimethyl-|Dodecyldimethylamin|Dodecyldimethylamine|EINECS 203-943-8|Empigen AB|Farmin DM 20|Farmin DM 2098|Genamin LA 302D|Lauryldimethylamine|Monolauryl dimethylamine|N-Dodecyl-N,N-dimethylamine|N-Dodecyldimethylamine|N-Lauryldimethylamine|N,N-Dimethyl-1-dodecanamine|N,N-Dimethyl-n-dodecylamine|N,N-Dimethyldodecylamine|N,N-Dimethyllaurylamine|NSC 7332|UNII-6V2OM30I1Z|352546-19-1|52622-54-5|83855-86-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026906
ERPathway2016 ERPathway2016_962 N,N-Dimethyldodecan-1-amine 112-18-5 DTXSID1026906 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCN(C)C N,N-Dimethyldodecan-1-amine 112-18-5|N,N-Dimethyldodecan-1-amine|(Dimethylamino)dodecane|1-Dodecanamine, N,N-dimethyl-|Antioxidant DDA|Armeen DM 12D|Armeen DM-12D|Barlene 125|Barlene 12S|Dimethyl Lauramine|DIMETHYL-DODECYL-AMIN|Dimethyl-n-dodecylamine|DODECAN-1-AMINE, N,N-DIMETHYL-|dodecildimetilamina|Dodecylamine, N,N-dimethyl-|Dodecyldimethylamin|Dodecyldimethylamine|EINECS 203-943-8|Empigen AB|Farmin DM 20|Farmin DM 2098|Genamin LA 302D|Lauryldimethylamine|Monolauryl dimethylamine|N-Dodecyl-N,N-dimethylamine|N-Dodecyldimethylamine|N-Lauryldimethylamine|N,N-Dimethyl-1-dodecanamine|N,N-Dimethyl-n-dodecylamine|N,N-Dimethyldodecylamine|N,N-Dimethyllaurylamine|NSC 7332|UNII-6V2OM30I1Z|352546-19-1|52622-54-5|83855-86-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026906
ARPathway2016 ARPathway2016_1478 N,N-Dimethylformamide 68-12-2 DTXSID6020515 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)C=O N,N-Dimethylformamide 68-12-2|N,N-Dimethylformamide|AMEISENSAEURE-DIMETHYLAMID|Caswell No. 366A|Dimethyl formamide|Dimethyl-Formamide|Dimethylamid kyseliny mravenci|Dimethylforamide|Dimethylformamid|Dimethylformamide|Dimetilformamide|Dimetylformamidu|DMF|Dwumetyloformamid|EINECS 200-679-5|EPA Pesticide Chemical Code 366200|Formamide, N,N-dimethyl-|Formic acid, amide, N,N-dimethyl-|Formyldimethylamine|N-Formyldimethylamine|N,N- Dimethyl formamide|N,N- Dimethylformamide|N,N-Dimethyl formamide|N,N-Dimethyl-Formamide|N,N-Dimethylformaldehyde|N,N-Dimethylformamid|N,N-Dimethylmethanamide|N,N-dimetilformamida|NCI-C60913|NSC 5356|UN 2265|UNII-8696NH0Y2X|Virodene-P 058|114057-15-7|15175-63-0|15175-77-6|33513-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020515 https://doi.org/10.22427/NTP-DATA-DTXSID6020515
ARPathway2016 ARPathway2016_1478 N,N-Dimethylformamide 68-12-2 DTXSID6020515 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C=O N,N-Dimethylformamide 68-12-2|N,N-Dimethylformamide|AMEISENSAEURE-DIMETHYLAMID|Caswell No. 366A|Dimethyl formamide|Dimethyl-Formamide|Dimethylamid kyseliny mravenci|Dimethylforamide|Dimethylformamid|Dimethylformamide|Dimetilformamide|Dimetylformamidu|DMF|Dwumetyloformamid|EINECS 200-679-5|EPA Pesticide Chemical Code 366200|Formamide, N,N-dimethyl-|Formic acid, amide, N,N-dimethyl-|Formyldimethylamine|N-Formyldimethylamine|N,N- Dimethyl formamide|N,N- Dimethylformamide|N,N-Dimethyl formamide|N,N-Dimethyl-Formamide|N,N-Dimethylformaldehyde|N,N-Dimethylformamid|N,N-Dimethylmethanamide|N,N-dimetilformamida|NCI-C60913|NSC 5356|UN 2265|UNII-8696NH0Y2X|Virodene-P 058|114057-15-7|15175-63-0|15175-77-6|33513-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020515 https://doi.org/10.22427/NTP-DATA-DTXSID6020515
ARPathway2016 ARPathway2016_1478 N,N-Dimethylformamide 68-12-2 DTXSID6020515 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN(C)C=O N,N-Dimethylformamide 68-12-2|N,N-Dimethylformamide|AMEISENSAEURE-DIMETHYLAMID|Caswell No. 366A|Dimethyl formamide|Dimethyl-Formamide|Dimethylamid kyseliny mravenci|Dimethylforamide|Dimethylformamid|Dimethylformamide|Dimetilformamide|Dimetylformamidu|DMF|Dwumetyloformamid|EINECS 200-679-5|EPA Pesticide Chemical Code 366200|Formamide, N,N-dimethyl-|Formic acid, amide, N,N-dimethyl-|Formyldimethylamine|N-Formyldimethylamine|N,N- Dimethyl formamide|N,N- Dimethylformamide|N,N-Dimethyl formamide|N,N-Dimethyl-Formamide|N,N-Dimethylformaldehyde|N,N-Dimethylformamid|N,N-Dimethylmethanamide|N,N-dimetilformamida|NCI-C60913|NSC 5356|UN 2265|UNII-8696NH0Y2X|Virodene-P 058|114057-15-7|15175-63-0|15175-77-6|33513-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020515 https://doi.org/10.22427/NTP-DATA-DTXSID6020515
ARPathway2016 ARPathway2016_1478 N,N-Dimethylformamide 68-12-2 DTXSID6020515 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C=O N,N-Dimethylformamide 68-12-2|N,N-Dimethylformamide|AMEISENSAEURE-DIMETHYLAMID|Caswell No. 366A|Dimethyl formamide|Dimethyl-Formamide|Dimethylamid kyseliny mravenci|Dimethylforamide|Dimethylformamid|Dimethylformamide|Dimetilformamide|Dimetylformamidu|DMF|Dwumetyloformamid|EINECS 200-679-5|EPA Pesticide Chemical Code 366200|Formamide, N,N-dimethyl-|Formic acid, amide, N,N-dimethyl-|Formyldimethylamine|N-Formyldimethylamine|N,N- Dimethyl formamide|N,N- Dimethylformamide|N,N-Dimethyl formamide|N,N-Dimethyl-Formamide|N,N-Dimethylformaldehyde|N,N-Dimethylformamid|N,N-Dimethylmethanamide|N,N-dimetilformamida|NCI-C60913|NSC 5356|UN 2265|UNII-8696NH0Y2X|Virodene-P 058|114057-15-7|15175-63-0|15175-77-6|33513-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020515 https://doi.org/10.22427/NTP-DATA-DTXSID6020515
ERPathway2016 ERPathway2016_1609 N,N-Dimethylformamide 68-12-2 DTXSID6020515 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)C=O N,N-Dimethylformamide 68-12-2|N,N-Dimethylformamide|AMEISENSAEURE-DIMETHYLAMID|Caswell No. 366A|Dimethyl formamide|Dimethyl-Formamide|Dimethylamid kyseliny mravenci|Dimethylforamide|Dimethylformamid|Dimethylformamide|Dimetilformamide|Dimetylformamidu|DMF|Dwumetyloformamid|EINECS 200-679-5|EPA Pesticide Chemical Code 366200|Formamide, N,N-dimethyl-|Formic acid, amide, N,N-dimethyl-|Formyldimethylamine|N-Formyldimethylamine|N,N- Dimethyl formamide|N,N- Dimethylformamide|N,N-Dimethyl formamide|N,N-Dimethyl-Formamide|N,N-Dimethylformaldehyde|N,N-Dimethylformamid|N,N-Dimethylmethanamide|N,N-dimetilformamida|NCI-C60913|NSC 5356|UN 2265|UNII-8696NH0Y2X|Virodene-P 058|114057-15-7|15175-63-0|15175-77-6|33513-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020515 https://doi.org/10.22427/NTP-DATA-DTXSID6020515
ERPathway2016 ERPathway2016_1609 N,N-Dimethylformamide 68-12-2 DTXSID6020515 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C=O N,N-Dimethylformamide 68-12-2|N,N-Dimethylformamide|AMEISENSAEURE-DIMETHYLAMID|Caswell No. 366A|Dimethyl formamide|Dimethyl-Formamide|Dimethylamid kyseliny mravenci|Dimethylforamide|Dimethylformamid|Dimethylformamide|Dimetilformamide|Dimetylformamidu|DMF|Dwumetyloformamid|EINECS 200-679-5|EPA Pesticide Chemical Code 366200|Formamide, N,N-dimethyl-|Formic acid, amide, N,N-dimethyl-|Formyldimethylamine|N-Formyldimethylamine|N,N- Dimethyl formamide|N,N- Dimethylformamide|N,N-Dimethyl formamide|N,N-Dimethyl-Formamide|N,N-Dimethylformaldehyde|N,N-Dimethylformamid|N,N-Dimethylmethanamide|N,N-dimetilformamida|NCI-C60913|NSC 5356|UN 2265|UNII-8696NH0Y2X|Virodene-P 058|114057-15-7|15175-63-0|15175-77-6|33513-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020515 https://doi.org/10.22427/NTP-DATA-DTXSID6020515
ERPathway2016 ERPathway2016_1609 N,N-Dimethylformamide 68-12-2 DTXSID6020515 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C=O N,N-Dimethylformamide 68-12-2|N,N-Dimethylformamide|AMEISENSAEURE-DIMETHYLAMID|Caswell No. 366A|Dimethyl formamide|Dimethyl-Formamide|Dimethylamid kyseliny mravenci|Dimethylforamide|Dimethylformamid|Dimethylformamide|Dimetilformamide|Dimetylformamidu|DMF|Dwumetyloformamid|EINECS 200-679-5|EPA Pesticide Chemical Code 366200|Formamide, N,N-dimethyl-|Formic acid, amide, N,N-dimethyl-|Formyldimethylamine|N-Formyldimethylamine|N,N- Dimethyl formamide|N,N- Dimethylformamide|N,N-Dimethyl formamide|N,N-Dimethyl-Formamide|N,N-Dimethylformaldehyde|N,N-Dimethylformamid|N,N-Dimethylmethanamide|N,N-dimetilformamida|NCI-C60913|NSC 5356|UN 2265|UNII-8696NH0Y2X|Virodene-P 058|114057-15-7|15175-63-0|15175-77-6|33513-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020515 https://doi.org/10.22427/NTP-DATA-DTXSID6020515
ERPathway2016 ERPathway2016_1609 N,N-Dimethylformamide 68-12-2 DTXSID6020515 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)C=O N,N-Dimethylformamide 68-12-2|N,N-Dimethylformamide|AMEISENSAEURE-DIMETHYLAMID|Caswell No. 366A|Dimethyl formamide|Dimethyl-Formamide|Dimethylamid kyseliny mravenci|Dimethylforamide|Dimethylformamid|Dimethylformamide|Dimetilformamide|Dimetylformamidu|DMF|Dwumetyloformamid|EINECS 200-679-5|EPA Pesticide Chemical Code 366200|Formamide, N,N-dimethyl-|Formic acid, amide, N,N-dimethyl-|Formyldimethylamine|N-Formyldimethylamine|N,N- Dimethyl formamide|N,N- Dimethylformamide|N,N-Dimethyl formamide|N,N-Dimethyl-Formamide|N,N-Dimethylformaldehyde|N,N-Dimethylformamid|N,N-Dimethylmethanamide|N,N-dimetilformamida|NCI-C60913|NSC 5356|UN 2265|UNII-8696NH0Y2X|Virodene-P 058|114057-15-7|15175-63-0|15175-77-6|33513-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020515 https://doi.org/10.22427/NTP-DATA-DTXSID6020515
ARPathway2016 ARPathway2016_583 N,N-Dimethyloctanamide 1118-92-9 DTXSID9027364 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCC(=O)N(C)C N,N-Dimethyloctanamide 1118-92-9|N,N-Dimethyloctanamide|BRN 1754903|EINECS 214-272-5|N,N-Dimethylcaprylamide|Octanamide, N,N-dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027364
ARPathway2016 ARPathway2016_583 N,N-Dimethyloctanamide 1118-92-9 DTXSID9027364 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCC(=O)N(C)C N,N-Dimethyloctanamide 1118-92-9|N,N-Dimethyloctanamide|BRN 1754903|EINECS 214-272-5|N,N-Dimethylcaprylamide|Octanamide, N,N-dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027364
ARPathway2016 ARPathway2016_583 N,N-Dimethyloctanamide 1118-92-9 DTXSID9027364 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCC(=O)N(C)C N,N-Dimethyloctanamide 1118-92-9|N,N-Dimethyloctanamide|BRN 1754903|EINECS 214-272-5|N,N-Dimethylcaprylamide|Octanamide, N,N-dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027364
ARPathway2016 ARPathway2016_583 N,N-Dimethyloctanamide 1118-92-9 DTXSID9027364 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCC(=O)N(C)C N,N-Dimethyloctanamide 1118-92-9|N,N-Dimethyloctanamide|BRN 1754903|EINECS 214-272-5|N,N-Dimethylcaprylamide|Octanamide, N,N-dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027364
ERPathway2016 ERPathway2016_1160 N,N-Dimethyloctanamide 1118-92-9 DTXSID9027364 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCC(=O)N(C)C N,N-Dimethyloctanamide 1118-92-9|N,N-Dimethyloctanamide|BRN 1754903|EINECS 214-272-5|N,N-Dimethylcaprylamide|Octanamide, N,N-dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027364
ERPathway2016 ERPathway2016_1160 N,N-Dimethyloctanamide 1118-92-9 DTXSID9027364 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCC(=O)N(C)C N,N-Dimethyloctanamide 1118-92-9|N,N-Dimethyloctanamide|BRN 1754903|EINECS 214-272-5|N,N-Dimethylcaprylamide|Octanamide, N,N-dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027364
ERPathway2016 ERPathway2016_1160 N,N-Dimethyloctanamide 1118-92-9 DTXSID9027364 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCC(=O)N(C)C N,N-Dimethyloctanamide 1118-92-9|N,N-Dimethyloctanamide|BRN 1754903|EINECS 214-272-5|N,N-Dimethylcaprylamide|Octanamide, N,N-dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027364
ERPathway2016 ERPathway2016_1160 N,N-Dimethyloctanamide 1118-92-9 DTXSID9027364 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCC(=O)N(C)C N,N-Dimethyloctanamide 1118-92-9|N,N-Dimethyloctanamide|BRN 1754903|EINECS 214-272-5|N,N-Dimethylcaprylamide|Octanamide, N,N-dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027364
ARPathway2016 ARPathway2016_1521 N,N-Dimethyloctylamine 7378-99-6 DTXSID2036299 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCN(C)C N,N-Dimethyloctylamine 7378-99-6|N,N-Dimethyloctylamine|1-(Dimethylamino)octane|1-Octanamine, N,N-dimethyl-|Adma 8|Dimethyl-N-octylamine|Dimethyl(octyl)amine|Dimethyloctylamine|EINECS 230-939-3|Farmin DM 0898|Farmin DM 08P|N-Octyl-N,N-dimethylamine|N-Octyldimethylamine|N,N-Dimethyl-1-octanamine|N,N-Dimethyl-n-octylamine|N,N-Dimethyloctan-1-amine|NSC 63928|OCTYLAMINE, N,N-DIMETHYL-|Octyldimethylamine|UNII-20N7H7X4SD https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036299
ARPathway2016 ARPathway2016_1521 N,N-Dimethyloctylamine 7378-99-6 DTXSID2036299 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCN(C)C N,N-Dimethyloctylamine 7378-99-6|N,N-Dimethyloctylamine|1-(Dimethylamino)octane|1-Octanamine, N,N-dimethyl-|Adma 8|Dimethyl-N-octylamine|Dimethyl(octyl)amine|Dimethyloctylamine|EINECS 230-939-3|Farmin DM 0898|Farmin DM 08P|N-Octyl-N,N-dimethylamine|N-Octyldimethylamine|N,N-Dimethyl-1-octanamine|N,N-Dimethyl-n-octylamine|N,N-Dimethyloctan-1-amine|NSC 63928|OCTYLAMINE, N,N-DIMETHYL-|Octyldimethylamine|UNII-20N7H7X4SD https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036299
ARPathway2016 ARPathway2016_1521 N,N-Dimethyloctylamine 7378-99-6 DTXSID2036299 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCN(C)C N,N-Dimethyloctylamine 7378-99-6|N,N-Dimethyloctylamine|1-(Dimethylamino)octane|1-Octanamine, N,N-dimethyl-|Adma 8|Dimethyl-N-octylamine|Dimethyl(octyl)amine|Dimethyloctylamine|EINECS 230-939-3|Farmin DM 0898|Farmin DM 08P|N-Octyl-N,N-dimethylamine|N-Octyldimethylamine|N,N-Dimethyl-1-octanamine|N,N-Dimethyl-n-octylamine|N,N-Dimethyloctan-1-amine|NSC 63928|OCTYLAMINE, N,N-DIMETHYL-|Octyldimethylamine|UNII-20N7H7X4SD https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036299
ARPathway2016 ARPathway2016_1521 N,N-Dimethyloctylamine 7378-99-6 DTXSID2036299 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCN(C)C N,N-Dimethyloctylamine 7378-99-6|N,N-Dimethyloctylamine|1-(Dimethylamino)octane|1-Octanamine, N,N-dimethyl-|Adma 8|Dimethyl-N-octylamine|Dimethyl(octyl)amine|Dimethyloctylamine|EINECS 230-939-3|Farmin DM 0898|Farmin DM 08P|N-Octyl-N,N-dimethylamine|N-Octyldimethylamine|N,N-Dimethyl-1-octanamine|N,N-Dimethyl-n-octylamine|N,N-Dimethyloctan-1-amine|NSC 63928|OCTYLAMINE, N,N-DIMETHYL-|Octyldimethylamine|UNII-20N7H7X4SD https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036299
ERPathway2016 ERPathway2016_1631 N,N-Dimethyloctylamine 7378-99-6 DTXSID2036299 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCN(C)C N,N-Dimethyloctylamine 7378-99-6|N,N-Dimethyloctylamine|1-(Dimethylamino)octane|1-Octanamine, N,N-dimethyl-|Adma 8|Dimethyl-N-octylamine|Dimethyl(octyl)amine|Dimethyloctylamine|EINECS 230-939-3|Farmin DM 0898|Farmin DM 08P|N-Octyl-N,N-dimethylamine|N-Octyldimethylamine|N,N-Dimethyl-1-octanamine|N,N-Dimethyl-n-octylamine|N,N-Dimethyloctan-1-amine|NSC 63928|OCTYLAMINE, N,N-DIMETHYL-|Octyldimethylamine|UNII-20N7H7X4SD https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036299
ERPathway2016 ERPathway2016_1631 N,N-Dimethyloctylamine 7378-99-6 DTXSID2036299 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCN(C)C N,N-Dimethyloctylamine 7378-99-6|N,N-Dimethyloctylamine|1-(Dimethylamino)octane|1-Octanamine, N,N-dimethyl-|Adma 8|Dimethyl-N-octylamine|Dimethyl(octyl)amine|Dimethyloctylamine|EINECS 230-939-3|Farmin DM 0898|Farmin DM 08P|N-Octyl-N,N-dimethylamine|N-Octyldimethylamine|N,N-Dimethyl-1-octanamine|N,N-Dimethyl-n-octylamine|N,N-Dimethyloctan-1-amine|NSC 63928|OCTYLAMINE, N,N-DIMETHYL-|Octyldimethylamine|UNII-20N7H7X4SD https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036299
ERPathway2016 ERPathway2016_1631 N,N-Dimethyloctylamine 7378-99-6 DTXSID2036299 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCN(C)C N,N-Dimethyloctylamine 7378-99-6|N,N-Dimethyloctylamine|1-(Dimethylamino)octane|1-Octanamine, N,N-dimethyl-|Adma 8|Dimethyl-N-octylamine|Dimethyl(octyl)amine|Dimethyloctylamine|EINECS 230-939-3|Farmin DM 0898|Farmin DM 08P|N-Octyl-N,N-dimethylamine|N-Octyldimethylamine|N,N-Dimethyl-1-octanamine|N,N-Dimethyl-n-octylamine|N,N-Dimethyloctan-1-amine|NSC 63928|OCTYLAMINE, N,N-DIMETHYL-|Octyldimethylamine|UNII-20N7H7X4SD https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036299
ERPathway2016 ERPathway2016_1631 N,N-Dimethyloctylamine 7378-99-6 DTXSID2036299 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCN(C)C N,N-Dimethyloctylamine 7378-99-6|N,N-Dimethyloctylamine|1-(Dimethylamino)octane|1-Octanamine, N,N-dimethyl-|Adma 8|Dimethyl-N-octylamine|Dimethyl(octyl)amine|Dimethyloctylamine|EINECS 230-939-3|Farmin DM 0898|Farmin DM 08P|N-Octyl-N,N-dimethylamine|N-Octyldimethylamine|N,N-Dimethyl-1-octanamine|N,N-Dimethyl-n-octylamine|N,N-Dimethyloctan-1-amine|NSC 63928|OCTYLAMINE, N,N-DIMETHYL-|Octyldimethylamine|UNII-20N7H7X4SD https://comptox.epa.gov/dashboard/chemical/details/DTXSID2036299
ARPathway2016 ARPathway2016_1292 N,N'-Dimethylthiourea 534-13-4 DTXSID2042191 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(=S)NC N,N'-Dimethylthiourea 534-13-4|N,N'-Dimethylthiourea|1,3-dimethyl-2-thiourea|1,3-Dimethylisothiourea|1,3-Dimethylthiourea|4-04-00-00217|BRN 0605454|Dimethyl-2-thiourea|Dimethylthiocarbamide|EINECS 208-588-2|NSC 8727|sym-Dimethylthiourea|88001-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042191
ARPathway2016 ARPathway2016_1292 N,N'-Dimethylthiourea 534-13-4 DTXSID2042191 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CNC(=S)NC N,N'-Dimethylthiourea 534-13-4|N,N'-Dimethylthiourea|1,3-dimethyl-2-thiourea|1,3-Dimethylisothiourea|1,3-Dimethylthiourea|4-04-00-00217|BRN 0605454|Dimethyl-2-thiourea|Dimethylthiocarbamide|EINECS 208-588-2|NSC 8727|sym-Dimethylthiourea|88001-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042191
ARPathway2016 ARPathway2016_1292 N,N'-Dimethylthiourea 534-13-4 DTXSID2042191 0.0 AR Pathway Model, Agonist Call Inactive Unitless CNC(=S)NC N,N'-Dimethylthiourea 534-13-4|N,N'-Dimethylthiourea|1,3-dimethyl-2-thiourea|1,3-Dimethylisothiourea|1,3-Dimethylthiourea|4-04-00-00217|BRN 0605454|Dimethyl-2-thiourea|Dimethylthiocarbamide|EINECS 208-588-2|NSC 8727|sym-Dimethylthiourea|88001-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042191
ARPathway2016 ARPathway2016_1292 N,N'-Dimethylthiourea 534-13-4 DTXSID2042191 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CNC(=S)NC N,N'-Dimethylthiourea 534-13-4|N,N'-Dimethylthiourea|1,3-dimethyl-2-thiourea|1,3-Dimethylisothiourea|1,3-Dimethylthiourea|4-04-00-00217|BRN 0605454|Dimethyl-2-thiourea|Dimethylthiocarbamide|EINECS 208-588-2|NSC 8727|sym-Dimethylthiourea|88001-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042191
ERPathway2016 ERPathway2016_916 N,N'-Dimethylthiourea 534-13-4 DTXSID2042191 ER Pathway Model, Agonist Model Score 0 Unitless CNC(=S)NC N,N'-Dimethylthiourea 534-13-4|N,N'-Dimethylthiourea|1,3-dimethyl-2-thiourea|1,3-Dimethylisothiourea|1,3-Dimethylthiourea|4-04-00-00217|BRN 0605454|Dimethyl-2-thiourea|Dimethylthiocarbamide|EINECS 208-588-2|NSC 8727|sym-Dimethylthiourea|88001-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042191
ERPathway2016 ERPathway2016_916 N,N'-Dimethylthiourea 534-13-4 DTXSID2042191 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(=S)NC N,N'-Dimethylthiourea 534-13-4|N,N'-Dimethylthiourea|1,3-dimethyl-2-thiourea|1,3-Dimethylisothiourea|1,3-Dimethylthiourea|4-04-00-00217|BRN 0605454|Dimethyl-2-thiourea|Dimethylthiocarbamide|EINECS 208-588-2|NSC 8727|sym-Dimethylthiourea|88001-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042191
ERPathway2016 ERPathway2016_916 N,N'-Dimethylthiourea 534-13-4 DTXSID2042191 ER Pathway Model, Agonist Call Inactive Unitless CNC(=S)NC N,N'-Dimethylthiourea 534-13-4|N,N'-Dimethylthiourea|1,3-dimethyl-2-thiourea|1,3-Dimethylisothiourea|1,3-Dimethylthiourea|4-04-00-00217|BRN 0605454|Dimethyl-2-thiourea|Dimethylthiocarbamide|EINECS 208-588-2|NSC 8727|sym-Dimethylthiourea|88001-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042191
ERPathway2016 ERPathway2016_916 N,N'-Dimethylthiourea 534-13-4 DTXSID2042191 ER Pathway Model, Antagonist Call Inactive Unitless CNC(=S)NC N,N'-Dimethylthiourea 534-13-4|N,N'-Dimethylthiourea|1,3-dimethyl-2-thiourea|1,3-Dimethylisothiourea|1,3-Dimethylthiourea|4-04-00-00217|BRN 0605454|Dimethyl-2-thiourea|Dimethylthiocarbamide|EINECS 208-588-2|NSC 8727|sym-Dimethylthiourea|88001-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042191
ARPathway2016 ARPathway2016_1751 N,N'-Disalicylidene-1,2-diaminopropane 94-91-7 DTXSID2041200 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(CN=CC1=CC=CC=C1O)N=CC1=CC=CC=C1O N,N'-Disalicylidene-1,2-diaminopropane 94-91-7|N,N'-Disalicylidene-1,2-diaminopropane|.alpha.,.alpha.'-(Propylenedinitrilo)di-o-cresol|2,2'-[(1-Methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis[phenol]|alpha,alpha'-(Propylenedinitrilo)di-o-cresol|alpha,alpha'-Dipropylenedinitrilodi-o-cresol|Carlisle metal deactivator|Copper inhibitor 50|Cuvan 80|Dailube G 25|Disalicylalpropylenediimine|DMD|Du Pont metal deactivator|EINECS 202-374-2|Ethanox 4705|Keromet MD|KMD 80|Metal Deactivator 2|N,N'-Disalicylidene-1,2-propanediamine|N,N'-Propylenebis(salicylideneimine)|N,N'-Bis(salicylidene)-1,2-diaminopropane|N,N'-Bis(salicylidene)propane-1,2-diamine|N,N'-Disalicylidene-1,2-propanediamine|N,N'-Disalicylidene-1,2-propylenediamine|N,N'-Propylenebis(salicylideneimine)|N',N-Bis(salicylidene)-1,2-propanediamine|NSC 67004|NSC 68420|o-Cresol, a,a'-(propylenedinitrilo)di-|Phenol, 2,2'-[(1-methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis-|Salpn ligand|Sekurisu AK 24M|T 1201|Tenamene 60|UNII-7S023Y0W20|UOP copper deactivator|1137599-96-2|67920-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041200
ARPathway2016 ARPathway2016_1751 N,N'-Disalicylidene-1,2-diaminopropane 94-91-7 DTXSID2041200 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(CN=CC1=CC=CC=C1O)N=CC1=CC=CC=C1O N,N'-Disalicylidene-1,2-diaminopropane 94-91-7|N,N'-Disalicylidene-1,2-diaminopropane|.alpha.,.alpha.'-(Propylenedinitrilo)di-o-cresol|2,2'-[(1-Methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis[phenol]|alpha,alpha'-(Propylenedinitrilo)di-o-cresol|alpha,alpha'-Dipropylenedinitrilodi-o-cresol|Carlisle metal deactivator|Copper inhibitor 50|Cuvan 80|Dailube G 25|Disalicylalpropylenediimine|DMD|Du Pont metal deactivator|EINECS 202-374-2|Ethanox 4705|Keromet MD|KMD 80|Metal Deactivator 2|N,N'-Disalicylidene-1,2-propanediamine|N,N'-Propylenebis(salicylideneimine)|N,N'-Bis(salicylidene)-1,2-diaminopropane|N,N'-Bis(salicylidene)propane-1,2-diamine|N,N'-Disalicylidene-1,2-propanediamine|N,N'-Disalicylidene-1,2-propylenediamine|N,N'-Propylenebis(salicylideneimine)|N',N-Bis(salicylidene)-1,2-propanediamine|NSC 67004|NSC 68420|o-Cresol, a,a'-(propylenedinitrilo)di-|Phenol, 2,2'-[(1-methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis-|Salpn ligand|Sekurisu AK 24M|T 1201|Tenamene 60|UNII-7S023Y0W20|UOP copper deactivator|1137599-96-2|67920-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041200
ARPathway2016 ARPathway2016_1751 N,N'-Disalicylidene-1,2-diaminopropane 94-91-7 DTXSID2041200 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(CN=CC1=CC=CC=C1O)N=CC1=CC=CC=C1O N,N'-Disalicylidene-1,2-diaminopropane 94-91-7|N,N'-Disalicylidene-1,2-diaminopropane|.alpha.,.alpha.'-(Propylenedinitrilo)di-o-cresol|2,2'-[(1-Methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis[phenol]|alpha,alpha'-(Propylenedinitrilo)di-o-cresol|alpha,alpha'-Dipropylenedinitrilodi-o-cresol|Carlisle metal deactivator|Copper inhibitor 50|Cuvan 80|Dailube G 25|Disalicylalpropylenediimine|DMD|Du Pont metal deactivator|EINECS 202-374-2|Ethanox 4705|Keromet MD|KMD 80|Metal Deactivator 2|N,N'-Disalicylidene-1,2-propanediamine|N,N'-Propylenebis(salicylideneimine)|N,N'-Bis(salicylidene)-1,2-diaminopropane|N,N'-Bis(salicylidene)propane-1,2-diamine|N,N'-Disalicylidene-1,2-propanediamine|N,N'-Disalicylidene-1,2-propylenediamine|N,N'-Propylenebis(salicylideneimine)|N',N-Bis(salicylidene)-1,2-propanediamine|NSC 67004|NSC 68420|o-Cresol, a,a'-(propylenedinitrilo)di-|Phenol, 2,2'-[(1-methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis-|Salpn ligand|Sekurisu AK 24M|T 1201|Tenamene 60|UNII-7S023Y0W20|UOP copper deactivator|1137599-96-2|67920-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041200
ARPathway2016 ARPathway2016_1751 N,N'-Disalicylidene-1,2-diaminopropane 94-91-7 DTXSID2041200 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(CN=CC1=CC=CC=C1O)N=CC1=CC=CC=C1O N,N'-Disalicylidene-1,2-diaminopropane 94-91-7|N,N'-Disalicylidene-1,2-diaminopropane|.alpha.,.alpha.'-(Propylenedinitrilo)di-o-cresol|2,2'-[(1-Methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis[phenol]|alpha,alpha'-(Propylenedinitrilo)di-o-cresol|alpha,alpha'-Dipropylenedinitrilodi-o-cresol|Carlisle metal deactivator|Copper inhibitor 50|Cuvan 80|Dailube G 25|Disalicylalpropylenediimine|DMD|Du Pont metal deactivator|EINECS 202-374-2|Ethanox 4705|Keromet MD|KMD 80|Metal Deactivator 2|N,N'-Disalicylidene-1,2-propanediamine|N,N'-Propylenebis(salicylideneimine)|N,N'-Bis(salicylidene)-1,2-diaminopropane|N,N'-Bis(salicylidene)propane-1,2-diamine|N,N'-Disalicylidene-1,2-propanediamine|N,N'-Disalicylidene-1,2-propylenediamine|N,N'-Propylenebis(salicylideneimine)|N',N-Bis(salicylidene)-1,2-propanediamine|NSC 67004|NSC 68420|o-Cresol, a,a'-(propylenedinitrilo)di-|Phenol, 2,2'-[(1-methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis-|Salpn ligand|Sekurisu AK 24M|T 1201|Tenamene 60|UNII-7S023Y0W20|UOP copper deactivator|1137599-96-2|67920-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041200
ERPathway2016 ERPathway2016_1760 N,N'-Disalicylidene-1,2-diaminopropane 94-91-7 DTXSID2041200 ER Pathway Model, Agonist Model Score 0 Unitless CC(CN=CC1=CC=CC=C1O)N=CC1=CC=CC=C1O N,N'-Disalicylidene-1,2-diaminopropane 94-91-7|N,N'-Disalicylidene-1,2-diaminopropane|.alpha.,.alpha.'-(Propylenedinitrilo)di-o-cresol|2,2'-[(1-Methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis[phenol]|alpha,alpha'-(Propylenedinitrilo)di-o-cresol|alpha,alpha'-Dipropylenedinitrilodi-o-cresol|Carlisle metal deactivator|Copper inhibitor 50|Cuvan 80|Dailube G 25|Disalicylalpropylenediimine|DMD|Du Pont metal deactivator|EINECS 202-374-2|Ethanox 4705|Keromet MD|KMD 80|Metal Deactivator 2|N,N'-Disalicylidene-1,2-propanediamine|N,N'-Propylenebis(salicylideneimine)|N,N'-Bis(salicylidene)-1,2-diaminopropane|N,N'-Bis(salicylidene)propane-1,2-diamine|N,N'-Disalicylidene-1,2-propanediamine|N,N'-Disalicylidene-1,2-propylenediamine|N,N'-Propylenebis(salicylideneimine)|N',N-Bis(salicylidene)-1,2-propanediamine|NSC 67004|NSC 68420|o-Cresol, a,a'-(propylenedinitrilo)di-|Phenol, 2,2'-[(1-methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis-|Salpn ligand|Sekurisu AK 24M|T 1201|Tenamene 60|UNII-7S023Y0W20|UOP copper deactivator|1137599-96-2|67920-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041200
ERPathway2016 ERPathway2016_1760 N,N'-Disalicylidene-1,2-diaminopropane 94-91-7 DTXSID2041200 ER Pathway Model, Antagonist Model Score 0 Unitless CC(CN=CC1=CC=CC=C1O)N=CC1=CC=CC=C1O N,N'-Disalicylidene-1,2-diaminopropane 94-91-7|N,N'-Disalicylidene-1,2-diaminopropane|.alpha.,.alpha.'-(Propylenedinitrilo)di-o-cresol|2,2'-[(1-Methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis[phenol]|alpha,alpha'-(Propylenedinitrilo)di-o-cresol|alpha,alpha'-Dipropylenedinitrilodi-o-cresol|Carlisle metal deactivator|Copper inhibitor 50|Cuvan 80|Dailube G 25|Disalicylalpropylenediimine|DMD|Du Pont metal deactivator|EINECS 202-374-2|Ethanox 4705|Keromet MD|KMD 80|Metal Deactivator 2|N,N'-Disalicylidene-1,2-propanediamine|N,N'-Propylenebis(salicylideneimine)|N,N'-Bis(salicylidene)-1,2-diaminopropane|N,N'-Bis(salicylidene)propane-1,2-diamine|N,N'-Disalicylidene-1,2-propanediamine|N,N'-Disalicylidene-1,2-propylenediamine|N,N'-Propylenebis(salicylideneimine)|N',N-Bis(salicylidene)-1,2-propanediamine|NSC 67004|NSC 68420|o-Cresol, a,a'-(propylenedinitrilo)di-|Phenol, 2,2'-[(1-methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis-|Salpn ligand|Sekurisu AK 24M|T 1201|Tenamene 60|UNII-7S023Y0W20|UOP copper deactivator|1137599-96-2|67920-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041200
ERPathway2016 ERPathway2016_1760 N,N'-Disalicylidene-1,2-diaminopropane 94-91-7 DTXSID2041200 ER Pathway Model, Agonist Call Inactive Unitless CC(CN=CC1=CC=CC=C1O)N=CC1=CC=CC=C1O N,N'-Disalicylidene-1,2-diaminopropane 94-91-7|N,N'-Disalicylidene-1,2-diaminopropane|.alpha.,.alpha.'-(Propylenedinitrilo)di-o-cresol|2,2'-[(1-Methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis[phenol]|alpha,alpha'-(Propylenedinitrilo)di-o-cresol|alpha,alpha'-Dipropylenedinitrilodi-o-cresol|Carlisle metal deactivator|Copper inhibitor 50|Cuvan 80|Dailube G 25|Disalicylalpropylenediimine|DMD|Du Pont metal deactivator|EINECS 202-374-2|Ethanox 4705|Keromet MD|KMD 80|Metal Deactivator 2|N,N'-Disalicylidene-1,2-propanediamine|N,N'-Propylenebis(salicylideneimine)|N,N'-Bis(salicylidene)-1,2-diaminopropane|N,N'-Bis(salicylidene)propane-1,2-diamine|N,N'-Disalicylidene-1,2-propanediamine|N,N'-Disalicylidene-1,2-propylenediamine|N,N'-Propylenebis(salicylideneimine)|N',N-Bis(salicylidene)-1,2-propanediamine|NSC 67004|NSC 68420|o-Cresol, a,a'-(propylenedinitrilo)di-|Phenol, 2,2'-[(1-methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis-|Salpn ligand|Sekurisu AK 24M|T 1201|Tenamene 60|UNII-7S023Y0W20|UOP copper deactivator|1137599-96-2|67920-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041200
ERPathway2016 ERPathway2016_1760 N,N'-Disalicylidene-1,2-diaminopropane 94-91-7 DTXSID2041200 ER Pathway Model, Antagonist Call Inactive Unitless CC(CN=CC1=CC=CC=C1O)N=CC1=CC=CC=C1O N,N'-Disalicylidene-1,2-diaminopropane 94-91-7|N,N'-Disalicylidene-1,2-diaminopropane|.alpha.,.alpha.'-(Propylenedinitrilo)di-o-cresol|2,2'-[(1-Methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis[phenol]|alpha,alpha'-(Propylenedinitrilo)di-o-cresol|alpha,alpha'-Dipropylenedinitrilodi-o-cresol|Carlisle metal deactivator|Copper inhibitor 50|Cuvan 80|Dailube G 25|Disalicylalpropylenediimine|DMD|Du Pont metal deactivator|EINECS 202-374-2|Ethanox 4705|Keromet MD|KMD 80|Metal Deactivator 2|N,N'-Disalicylidene-1,2-propanediamine|N,N'-Propylenebis(salicylideneimine)|N,N'-Bis(salicylidene)-1,2-diaminopropane|N,N'-Bis(salicylidene)propane-1,2-diamine|N,N'-Disalicylidene-1,2-propanediamine|N,N'-Disalicylidene-1,2-propylenediamine|N,N'-Propylenebis(salicylideneimine)|N',N-Bis(salicylidene)-1,2-propanediamine|NSC 67004|NSC 68420|o-Cresol, a,a'-(propylenedinitrilo)di-|Phenol, 2,2'-[(1-methyl-1,2-ethanediyl)bis(nitrilomethylidyne)]bis-|Salpn ligand|Sekurisu AK 24M|T 1201|Tenamene 60|UNII-7S023Y0W20|UOP copper deactivator|1137599-96-2|67920-91-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041200
ARPathway2016 ARPathway2016_541 N,N'-Methylenebisacrylamide 110-26-9 DTXSID8025595 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C=CC(=O)NCNC(=O)C=C N,N'-Methylenebisacrylamide 110-26-9|N,N'-Methylenebisacrylamide|2-Propenamide, N,N'-methylenebis-|Acrylamide, N,N'-methylenebis-|Bisacrylamide|BRN 1706297|DIACRYLAMIDE, N,N'-METHYLENE-|EINECS 203-750-9|Methylenebisacrylamide|Methylenediacrylamide|N,N'-Diacryloylmethylenediamine|N,N'-Methylendiacrylamid|N,N'-Methylenebis(2-propenamide)|N,N'-Methylenebis(acrylamide)|N,N'-Methylenediacrylamide|N,N'-Methylidenebisacrylamide|N,N'-metilendiacrilamida|NSC 406836|NSC 7774|UNII-EDK4RIE19C|1227834-36-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025595 https://doi.org/10.22427/NTP-DATA-DTXSID8025595
ARPathway2016 ARPathway2016_541 N,N'-Methylenebisacrylamide 110-26-9 DTXSID8025595 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C=CC(=O)NCNC(=O)C=C N,N'-Methylenebisacrylamide 110-26-9|N,N'-Methylenebisacrylamide|2-Propenamide, N,N'-methylenebis-|Acrylamide, N,N'-methylenebis-|Bisacrylamide|BRN 1706297|DIACRYLAMIDE, N,N'-METHYLENE-|EINECS 203-750-9|Methylenebisacrylamide|Methylenediacrylamide|N,N'-Diacryloylmethylenediamine|N,N'-Methylendiacrylamid|N,N'-Methylenebis(2-propenamide)|N,N'-Methylenebis(acrylamide)|N,N'-Methylenediacrylamide|N,N'-Methylidenebisacrylamide|N,N'-metilendiacrilamida|NSC 406836|NSC 7774|UNII-EDK4RIE19C|1227834-36-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025595 https://doi.org/10.22427/NTP-DATA-DTXSID8025595
ARPathway2016 ARPathway2016_541 N,N'-Methylenebisacrylamide 110-26-9 DTXSID8025595 0.0 AR Pathway Model, Agonist Call Inactive Unitless C=CC(=O)NCNC(=O)C=C N,N'-Methylenebisacrylamide 110-26-9|N,N'-Methylenebisacrylamide|2-Propenamide, N,N'-methylenebis-|Acrylamide, N,N'-methylenebis-|Bisacrylamide|BRN 1706297|DIACRYLAMIDE, N,N'-METHYLENE-|EINECS 203-750-9|Methylenebisacrylamide|Methylenediacrylamide|N,N'-Diacryloylmethylenediamine|N,N'-Methylendiacrylamid|N,N'-Methylenebis(2-propenamide)|N,N'-Methylenebis(acrylamide)|N,N'-Methylenediacrylamide|N,N'-Methylidenebisacrylamide|N,N'-metilendiacrilamida|NSC 406836|NSC 7774|UNII-EDK4RIE19C|1227834-36-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025595 https://doi.org/10.22427/NTP-DATA-DTXSID8025595
ARPathway2016 ARPathway2016_541 N,N'-Methylenebisacrylamide 110-26-9 DTXSID8025595 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C=CC(=O)NCNC(=O)C=C N,N'-Methylenebisacrylamide 110-26-9|N,N'-Methylenebisacrylamide|2-Propenamide, N,N'-methylenebis-|Acrylamide, N,N'-methylenebis-|Bisacrylamide|BRN 1706297|DIACRYLAMIDE, N,N'-METHYLENE-|EINECS 203-750-9|Methylenebisacrylamide|Methylenediacrylamide|N,N'-Diacryloylmethylenediamine|N,N'-Methylendiacrylamid|N,N'-Methylenebis(2-propenamide)|N,N'-Methylenebis(acrylamide)|N,N'-Methylenediacrylamide|N,N'-Methylidenebisacrylamide|N,N'-metilendiacrilamida|NSC 406836|NSC 7774|UNII-EDK4RIE19C|1227834-36-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025595 https://doi.org/10.22427/NTP-DATA-DTXSID8025595
ERPathway2016 ERPathway2016_1132 N,N'-Methylenebisacrylamide 110-26-9 DTXSID8025595 ER Pathway Model, Agonist Model Score 0 Unitless C=CC(=O)NCNC(=O)C=C N,N'-Methylenebisacrylamide 110-26-9|N,N'-Methylenebisacrylamide|2-Propenamide, N,N'-methylenebis-|Acrylamide, N,N'-methylenebis-|Bisacrylamide|BRN 1706297|DIACRYLAMIDE, N,N'-METHYLENE-|EINECS 203-750-9|Methylenebisacrylamide|Methylenediacrylamide|N,N'-Diacryloylmethylenediamine|N,N'-Methylendiacrylamid|N,N'-Methylenebis(2-propenamide)|N,N'-Methylenebis(acrylamide)|N,N'-Methylenediacrylamide|N,N'-Methylidenebisacrylamide|N,N'-metilendiacrilamida|NSC 406836|NSC 7774|UNII-EDK4RIE19C|1227834-36-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025595 https://doi.org/10.22427/NTP-DATA-DTXSID8025595
ERPathway2016 ERPathway2016_1132 N,N'-Methylenebisacrylamide 110-26-9 DTXSID8025595 ER Pathway Model, Antagonist Model Score 0 Unitless C=CC(=O)NCNC(=O)C=C N,N'-Methylenebisacrylamide 110-26-9|N,N'-Methylenebisacrylamide|2-Propenamide, N,N'-methylenebis-|Acrylamide, N,N'-methylenebis-|Bisacrylamide|BRN 1706297|DIACRYLAMIDE, N,N'-METHYLENE-|EINECS 203-750-9|Methylenebisacrylamide|Methylenediacrylamide|N,N'-Diacryloylmethylenediamine|N,N'-Methylendiacrylamid|N,N'-Methylenebis(2-propenamide)|N,N'-Methylenebis(acrylamide)|N,N'-Methylenediacrylamide|N,N'-Methylidenebisacrylamide|N,N'-metilendiacrilamida|NSC 406836|NSC 7774|UNII-EDK4RIE19C|1227834-36-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025595 https://doi.org/10.22427/NTP-DATA-DTXSID8025595
ERPathway2016 ERPathway2016_1132 N,N'-Methylenebisacrylamide 110-26-9 DTXSID8025595 ER Pathway Model, Agonist Call Inactive Unitless C=CC(=O)NCNC(=O)C=C N,N'-Methylenebisacrylamide 110-26-9|N,N'-Methylenebisacrylamide|2-Propenamide, N,N'-methylenebis-|Acrylamide, N,N'-methylenebis-|Bisacrylamide|BRN 1706297|DIACRYLAMIDE, N,N'-METHYLENE-|EINECS 203-750-9|Methylenebisacrylamide|Methylenediacrylamide|N,N'-Diacryloylmethylenediamine|N,N'-Methylendiacrylamid|N,N'-Methylenebis(2-propenamide)|N,N'-Methylenebis(acrylamide)|N,N'-Methylenediacrylamide|N,N'-Methylidenebisacrylamide|N,N'-metilendiacrilamida|NSC 406836|NSC 7774|UNII-EDK4RIE19C|1227834-36-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025595 https://doi.org/10.22427/NTP-DATA-DTXSID8025595
ERPathway2016 ERPathway2016_1132 N,N'-Methylenebisacrylamide 110-26-9 DTXSID8025595 ER Pathway Model, Antagonist Call Inactive Unitless C=CC(=O)NCNC(=O)C=C N,N'-Methylenebisacrylamide 110-26-9|N,N'-Methylenebisacrylamide|2-Propenamide, N,N'-methylenebis-|Acrylamide, N,N'-methylenebis-|Bisacrylamide|BRN 1706297|DIACRYLAMIDE, N,N'-METHYLENE-|EINECS 203-750-9|Methylenebisacrylamide|Methylenediacrylamide|N,N'-Diacryloylmethylenediamine|N,N'-Methylendiacrylamid|N,N'-Methylenebis(2-propenamide)|N,N'-Methylenebis(acrylamide)|N,N'-Methylenediacrylamide|N,N'-Methylidenebisacrylamide|N,N'-metilendiacrilamida|NSC 406836|NSC 7774|UNII-EDK4RIE19C|1227834-36-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8025595 https://doi.org/10.22427/NTP-DATA-DTXSID8025595
ARPathway2016 ARPathway2016_939 N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine 1760-24-3 DTXSID5027433 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CO[Si](CCCNCCN)(OC)OC N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine 1760-24-3|N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine|(2-Aminoethyl)(3-(trimethoxysilyl)propyl)amine|(Trimethoxysilylpropyl)ethylenediamine|[3-[(2-Aminoethyl)amino]propyl]trimethoxysilane|[N-(2-Aminoethyl)-g-aminopropyl]trimethoxysilane|[g-(b-Aminoethylamino)propyl]trimethoxysilane|1,2-Ethanediamine, N-[3-(trimethoxysilyl)propyl]-|1,2-Ethanediamine, N1-[3-(trimethoxysilyl)propyl]-|3-(2-Aminoethyl)aminopropyltrimethoxysilane|3-(N-Aminoethyl)aminopropyltrimethoxysilane|3-(Trimethoxysilyl)propylethylenediamine|3-[N-(2-Aminoethyl)amino]propyltrimethoxysilane|6-Amino-4-azahexyltrimethoxysilane|Aminoethylaminopropyltrimethoxy silane|Aminoethylaminopropyltrimethoxysilane|BRN 0636230|Dow Corning Z 6020|Dow corning Z-6020 silane|Dynasylan DAMO|Dynasylan DAMO-T|EINECS 217-164-6|en-APTAS|ETHANE-1,2-DIAMINE, N-[3-(TRIMETHOXYSILYL)PROPYL]-|Ethylenediamine, N-[3-(trimethoxysilyl)propyl]-|Geniosil GF 9|Geniosil GF 91|Hydrosil 2776|N-(2-Aminoethyl)-3-(trimethoxysilyl)propylamine|N-(2-Aminoethyl)-3-aminopropyltrimethoxysilane|N-(3-(Trimethoxysilyl)propyl)ethylendiamin|N-(3-(t|1020103-35-8|116711-38-7|127120-81-4|143178-75-0|165168-67-2|184049-27-2|327596-19-0|37251-12-0|460988-69-6|467420-00-4|53241-21-7|77238-27-8|864240-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027433
ARPathway2016 ARPathway2016_939 N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine 1760-24-3 DTXSID5027433 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CO[Si](CCCNCCN)(OC)OC N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine 1760-24-3|N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine|(2-Aminoethyl)(3-(trimethoxysilyl)propyl)amine|(Trimethoxysilylpropyl)ethylenediamine|[3-[(2-Aminoethyl)amino]propyl]trimethoxysilane|[N-(2-Aminoethyl)-g-aminopropyl]trimethoxysilane|[g-(b-Aminoethylamino)propyl]trimethoxysilane|1,2-Ethanediamine, N-[3-(trimethoxysilyl)propyl]-|1,2-Ethanediamine, N1-[3-(trimethoxysilyl)propyl]-|3-(2-Aminoethyl)aminopropyltrimethoxysilane|3-(N-Aminoethyl)aminopropyltrimethoxysilane|3-(Trimethoxysilyl)propylethylenediamine|3-[N-(2-Aminoethyl)amino]propyltrimethoxysilane|6-Amino-4-azahexyltrimethoxysilane|Aminoethylaminopropyltrimethoxy silane|Aminoethylaminopropyltrimethoxysilane|BRN 0636230|Dow Corning Z 6020|Dow corning Z-6020 silane|Dynasylan DAMO|Dynasylan DAMO-T|EINECS 217-164-6|en-APTAS|ETHANE-1,2-DIAMINE, N-[3-(TRIMETHOXYSILYL)PROPYL]-|Ethylenediamine, N-[3-(trimethoxysilyl)propyl]-|Geniosil GF 9|Geniosil GF 91|Hydrosil 2776|N-(2-Aminoethyl)-3-(trimethoxysilyl)propylamine|N-(2-Aminoethyl)-3-aminopropyltrimethoxysilane|N-(3-(Trimethoxysilyl)propyl)ethylendiamin|N-(3-(t|1020103-35-8|116711-38-7|127120-81-4|143178-75-0|165168-67-2|184049-27-2|327596-19-0|37251-12-0|460988-69-6|467420-00-4|53241-21-7|77238-27-8|864240-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027433
ARPathway2016 ARPathway2016_939 N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine 1760-24-3 DTXSID5027433 0.0 AR Pathway Model, Agonist Call Inactive Unitless CO[Si](CCCNCCN)(OC)OC N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine 1760-24-3|N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine|(2-Aminoethyl)(3-(trimethoxysilyl)propyl)amine|(Trimethoxysilylpropyl)ethylenediamine|[3-[(2-Aminoethyl)amino]propyl]trimethoxysilane|[N-(2-Aminoethyl)-g-aminopropyl]trimethoxysilane|[g-(b-Aminoethylamino)propyl]trimethoxysilane|1,2-Ethanediamine, N-[3-(trimethoxysilyl)propyl]-|1,2-Ethanediamine, N1-[3-(trimethoxysilyl)propyl]-|3-(2-Aminoethyl)aminopropyltrimethoxysilane|3-(N-Aminoethyl)aminopropyltrimethoxysilane|3-(Trimethoxysilyl)propylethylenediamine|3-[N-(2-Aminoethyl)amino]propyltrimethoxysilane|6-Amino-4-azahexyltrimethoxysilane|Aminoethylaminopropyltrimethoxy silane|Aminoethylaminopropyltrimethoxysilane|BRN 0636230|Dow Corning Z 6020|Dow corning Z-6020 silane|Dynasylan DAMO|Dynasylan DAMO-T|EINECS 217-164-6|en-APTAS|ETHANE-1,2-DIAMINE, N-[3-(TRIMETHOXYSILYL)PROPYL]-|Ethylenediamine, N-[3-(trimethoxysilyl)propyl]-|Geniosil GF 9|Geniosil GF 91|Hydrosil 2776|N-(2-Aminoethyl)-3-(trimethoxysilyl)propylamine|N-(2-Aminoethyl)-3-aminopropyltrimethoxysilane|N-(3-(Trimethoxysilyl)propyl)ethylendiamin|N-(3-(t|1020103-35-8|116711-38-7|127120-81-4|143178-75-0|165168-67-2|184049-27-2|327596-19-0|37251-12-0|460988-69-6|467420-00-4|53241-21-7|77238-27-8|864240-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027433
ARPathway2016 ARPathway2016_939 N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine 1760-24-3 DTXSID5027433 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CO[Si](CCCNCCN)(OC)OC N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine 1760-24-3|N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine|(2-Aminoethyl)(3-(trimethoxysilyl)propyl)amine|(Trimethoxysilylpropyl)ethylenediamine|[3-[(2-Aminoethyl)amino]propyl]trimethoxysilane|[N-(2-Aminoethyl)-g-aminopropyl]trimethoxysilane|[g-(b-Aminoethylamino)propyl]trimethoxysilane|1,2-Ethanediamine, N-[3-(trimethoxysilyl)propyl]-|1,2-Ethanediamine, N1-[3-(trimethoxysilyl)propyl]-|3-(2-Aminoethyl)aminopropyltrimethoxysilane|3-(N-Aminoethyl)aminopropyltrimethoxysilane|3-(Trimethoxysilyl)propylethylenediamine|3-[N-(2-Aminoethyl)amino]propyltrimethoxysilane|6-Amino-4-azahexyltrimethoxysilane|Aminoethylaminopropyltrimethoxy silane|Aminoethylaminopropyltrimethoxysilane|BRN 0636230|Dow Corning Z 6020|Dow corning Z-6020 silane|Dynasylan DAMO|Dynasylan DAMO-T|EINECS 217-164-6|en-APTAS|ETHANE-1,2-DIAMINE, N-[3-(TRIMETHOXYSILYL)PROPYL]-|Ethylenediamine, N-[3-(trimethoxysilyl)propyl]-|Geniosil GF 9|Geniosil GF 91|Hydrosil 2776|N-(2-Aminoethyl)-3-(trimethoxysilyl)propylamine|N-(2-Aminoethyl)-3-aminopropyltrimethoxysilane|N-(3-(Trimethoxysilyl)propyl)ethylendiamin|N-(3-(t|1020103-35-8|116711-38-7|127120-81-4|143178-75-0|165168-67-2|184049-27-2|327596-19-0|37251-12-0|460988-69-6|467420-00-4|53241-21-7|77238-27-8|864240-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027433
ERPathway2016 ERPathway2016_1347 N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine 1760-24-3 DTXSID5027433 ER Pathway Model, Agonist Model Score 0 Unitless CO[Si](CCCNCCN)(OC)OC N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine 1760-24-3|N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine|(2-Aminoethyl)(3-(trimethoxysilyl)propyl)amine|(Trimethoxysilylpropyl)ethylenediamine|[3-[(2-Aminoethyl)amino]propyl]trimethoxysilane|[N-(2-Aminoethyl)-g-aminopropyl]trimethoxysilane|[g-(b-Aminoethylamino)propyl]trimethoxysilane|1,2-Ethanediamine, N-[3-(trimethoxysilyl)propyl]-|1,2-Ethanediamine, N1-[3-(trimethoxysilyl)propyl]-|3-(2-Aminoethyl)aminopropyltrimethoxysilane|3-(N-Aminoethyl)aminopropyltrimethoxysilane|3-(Trimethoxysilyl)propylethylenediamine|3-[N-(2-Aminoethyl)amino]propyltrimethoxysilane|6-Amino-4-azahexyltrimethoxysilane|Aminoethylaminopropyltrimethoxy silane|Aminoethylaminopropyltrimethoxysilane|BRN 0636230|Dow Corning Z 6020|Dow corning Z-6020 silane|Dynasylan DAMO|Dynasylan DAMO-T|EINECS 217-164-6|en-APTAS|ETHANE-1,2-DIAMINE, N-[3-(TRIMETHOXYSILYL)PROPYL]-|Ethylenediamine, N-[3-(trimethoxysilyl)propyl]-|Geniosil GF 9|Geniosil GF 91|Hydrosil 2776|N-(2-Aminoethyl)-3-(trimethoxysilyl)propylamine|N-(2-Aminoethyl)-3-aminopropyltrimethoxysilane|N-(3-(Trimethoxysilyl)propyl)ethylendiamin|N-(3-(t|1020103-35-8|116711-38-7|127120-81-4|143178-75-0|165168-67-2|184049-27-2|327596-19-0|37251-12-0|460988-69-6|467420-00-4|53241-21-7|77238-27-8|864240-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027433
ERPathway2016 ERPathway2016_1347 N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine 1760-24-3 DTXSID5027433 ER Pathway Model, Antagonist Model Score 0 Unitless CO[Si](CCCNCCN)(OC)OC N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine 1760-24-3|N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine|(2-Aminoethyl)(3-(trimethoxysilyl)propyl)amine|(Trimethoxysilylpropyl)ethylenediamine|[3-[(2-Aminoethyl)amino]propyl]trimethoxysilane|[N-(2-Aminoethyl)-g-aminopropyl]trimethoxysilane|[g-(b-Aminoethylamino)propyl]trimethoxysilane|1,2-Ethanediamine, N-[3-(trimethoxysilyl)propyl]-|1,2-Ethanediamine, N1-[3-(trimethoxysilyl)propyl]-|3-(2-Aminoethyl)aminopropyltrimethoxysilane|3-(N-Aminoethyl)aminopropyltrimethoxysilane|3-(Trimethoxysilyl)propylethylenediamine|3-[N-(2-Aminoethyl)amino]propyltrimethoxysilane|6-Amino-4-azahexyltrimethoxysilane|Aminoethylaminopropyltrimethoxy silane|Aminoethylaminopropyltrimethoxysilane|BRN 0636230|Dow Corning Z 6020|Dow corning Z-6020 silane|Dynasylan DAMO|Dynasylan DAMO-T|EINECS 217-164-6|en-APTAS|ETHANE-1,2-DIAMINE, N-[3-(TRIMETHOXYSILYL)PROPYL]-|Ethylenediamine, N-[3-(trimethoxysilyl)propyl]-|Geniosil GF 9|Geniosil GF 91|Hydrosil 2776|N-(2-Aminoethyl)-3-(trimethoxysilyl)propylamine|N-(2-Aminoethyl)-3-aminopropyltrimethoxysilane|N-(3-(Trimethoxysilyl)propyl)ethylendiamin|N-(3-(t|1020103-35-8|116711-38-7|127120-81-4|143178-75-0|165168-67-2|184049-27-2|327596-19-0|37251-12-0|460988-69-6|467420-00-4|53241-21-7|77238-27-8|864240-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027433
ERPathway2016 ERPathway2016_1347 N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine 1760-24-3 DTXSID5027433 ER Pathway Model, Agonist Call Inactive Unitless CO[Si](CCCNCCN)(OC)OC N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine 1760-24-3|N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine|(2-Aminoethyl)(3-(trimethoxysilyl)propyl)amine|(Trimethoxysilylpropyl)ethylenediamine|[3-[(2-Aminoethyl)amino]propyl]trimethoxysilane|[N-(2-Aminoethyl)-g-aminopropyl]trimethoxysilane|[g-(b-Aminoethylamino)propyl]trimethoxysilane|1,2-Ethanediamine, N-[3-(trimethoxysilyl)propyl]-|1,2-Ethanediamine, N1-[3-(trimethoxysilyl)propyl]-|3-(2-Aminoethyl)aminopropyltrimethoxysilane|3-(N-Aminoethyl)aminopropyltrimethoxysilane|3-(Trimethoxysilyl)propylethylenediamine|3-[N-(2-Aminoethyl)amino]propyltrimethoxysilane|6-Amino-4-azahexyltrimethoxysilane|Aminoethylaminopropyltrimethoxy silane|Aminoethylaminopropyltrimethoxysilane|BRN 0636230|Dow Corning Z 6020|Dow corning Z-6020 silane|Dynasylan DAMO|Dynasylan DAMO-T|EINECS 217-164-6|en-APTAS|ETHANE-1,2-DIAMINE, N-[3-(TRIMETHOXYSILYL)PROPYL]-|Ethylenediamine, N-[3-(trimethoxysilyl)propyl]-|Geniosil GF 9|Geniosil GF 91|Hydrosil 2776|N-(2-Aminoethyl)-3-(trimethoxysilyl)propylamine|N-(2-Aminoethyl)-3-aminopropyltrimethoxysilane|N-(3-(Trimethoxysilyl)propyl)ethylendiamin|N-(3-(t|1020103-35-8|116711-38-7|127120-81-4|143178-75-0|165168-67-2|184049-27-2|327596-19-0|37251-12-0|460988-69-6|467420-00-4|53241-21-7|77238-27-8|864240-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027433
ERPathway2016 ERPathway2016_1347 N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine 1760-24-3 DTXSID5027433 ER Pathway Model, Antagonist Call Inactive Unitless CO[Si](CCCNCCN)(OC)OC N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine 1760-24-3|N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine|(2-Aminoethyl)(3-(trimethoxysilyl)propyl)amine|(Trimethoxysilylpropyl)ethylenediamine|[3-[(2-Aminoethyl)amino]propyl]trimethoxysilane|[N-(2-Aminoethyl)-g-aminopropyl]trimethoxysilane|[g-(b-Aminoethylamino)propyl]trimethoxysilane|1,2-Ethanediamine, N-[3-(trimethoxysilyl)propyl]-|1,2-Ethanediamine, N1-[3-(trimethoxysilyl)propyl]-|3-(2-Aminoethyl)aminopropyltrimethoxysilane|3-(N-Aminoethyl)aminopropyltrimethoxysilane|3-(Trimethoxysilyl)propylethylenediamine|3-[N-(2-Aminoethyl)amino]propyltrimethoxysilane|6-Amino-4-azahexyltrimethoxysilane|Aminoethylaminopropyltrimethoxy silane|Aminoethylaminopropyltrimethoxysilane|BRN 0636230|Dow Corning Z 6020|Dow corning Z-6020 silane|Dynasylan DAMO|Dynasylan DAMO-T|EINECS 217-164-6|en-APTAS|ETHANE-1,2-DIAMINE, N-[3-(TRIMETHOXYSILYL)PROPYL]-|Ethylenediamine, N-[3-(trimethoxysilyl)propyl]-|Geniosil GF 9|Geniosil GF 91|Hydrosil 2776|N-(2-Aminoethyl)-3-(trimethoxysilyl)propylamine|N-(2-Aminoethyl)-3-aminopropyltrimethoxysilane|N-(3-(Trimethoxysilyl)propyl)ethylendiamin|N-(3-(t|1020103-35-8|116711-38-7|127120-81-4|143178-75-0|165168-67-2|184049-27-2|327596-19-0|37251-12-0|460988-69-6|467420-00-4|53241-21-7|77238-27-8|864240-63-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027433
ARPathway2016 ARPathway2016_148 Naled 300-76-5 DTXSID1024209 FLAG: Wrong direction shift (Hit/Hit) 0.0 R7 AR Pathway Model, Agonist AC50 65.7366452499999 uM COP(=O)(OC)OC(Br)C(Cl)(Cl)Br Naled 300-76-5|Naled|1,2-Dibromo-2,2-dichloroethyl dimethyl phosphate|Arthodibrom|BRN 2049930|Bromchlophos|Caswell No. 586|Dibrom|Dibrom 8 Emulsive|Dibrom Pestanal|Dibromfos|Dimethyl 1,2-dibromo-2,2-dichloroethyl phosphate|dimethyl-1,2-dibromo-2,2-dichloroethyl phosphate|EINECS 206-098-3|ENT 24988|EPA Pesticide Chemical Code 034401|Ethanol, 1,2-dibromo-2,2-dichloro-, dimethyl phosphate|Flibol Ex|Fosbrom|Fosforan O-1,2-dwubromo-2,2-dwuchloroetylo-O,O-dwumetylowy|Nikabrom|O-(1,2-Dibrom-2,2-dichlor-aethyl)-O,O-dimethyl-phosphat|O-(1,2-dibromo-2,2-dichloroethyl)-O,O-dimethyl phosphate|O-(1,2-Dibromo-2,2-dicloro-etil)-O,O-dimetil-fosfato|O-(1,2-Dibroom-2,2-dichloor-ethyl)-O,O-dimethyl-fosfaat|O,O-Dimethyl O-(1,2-dibromo-2,2-dichloroethyl) phosphate|O,O-Dimethyl O-2,2-dichloro-1,2-dibromoethyl phosphate|O,O-Dimethyl-O-(1,2-dibrom-2,2-dichlor-aethyl)-phosphat|O,O-Dimethyl-O-(1,2-dibromo-2,2-dichloroethyl)phosphate|Ortho-dibrom|Orthodibromo|Phosphate de O,O-dimethyle et de O-(1,2-dibromo-2,2-dichlorethyle)|Phosphoric acid, 1,2-dibromo-2,|53095-31-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024209
ARPathway2016 ARPathway2016_148 Naled 300-76-5 DTXSID1024209 FLAG: Wrong direction shift (Hit/Hit) 0.0 R7 AR Pathway Model, Agonist ACC 64.28465772 uM COP(=O)(OC)OC(Br)C(Cl)(Cl)Br Naled 300-76-5|Naled|1,2-Dibromo-2,2-dichloroethyl dimethyl phosphate|Arthodibrom|BRN 2049930|Bromchlophos|Caswell No. 586|Dibrom|Dibrom 8 Emulsive|Dibrom Pestanal|Dibromfos|Dimethyl 1,2-dibromo-2,2-dichloroethyl phosphate|dimethyl-1,2-dibromo-2,2-dichloroethyl phosphate|EINECS 206-098-3|ENT 24988|EPA Pesticide Chemical Code 034401|Ethanol, 1,2-dibromo-2,2-dichloro-, dimethyl phosphate|Flibol Ex|Fosbrom|Fosforan O-1,2-dwubromo-2,2-dwuchloroetylo-O,O-dwumetylowy|Nikabrom|O-(1,2-Dibrom-2,2-dichlor-aethyl)-O,O-dimethyl-phosphat|O-(1,2-dibromo-2,2-dichloroethyl)-O,O-dimethyl phosphate|O-(1,2-Dibromo-2,2-dicloro-etil)-O,O-dimetil-fosfato|O-(1,2-Dibroom-2,2-dichloor-ethyl)-O,O-dimethyl-fosfaat|O,O-Dimethyl O-(1,2-dibromo-2,2-dichloroethyl) phosphate|O,O-Dimethyl O-2,2-dichloro-1,2-dibromoethyl phosphate|O,O-Dimethyl-O-(1,2-dibrom-2,2-dichlor-aethyl)-phosphat|O,O-Dimethyl-O-(1,2-dibromo-2,2-dichloroethyl)phosphate|Ortho-dibrom|Orthodibromo|Phosphate de O,O-dimethyle et de O-(1,2-dibromo-2,2-dichlorethyle)|Phosphoric acid, 1,2-dibromo-2,|53095-31-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024209
ARPathway2016 ARPathway2016_148 Naled 300-76-5 DTXSID1024209 FLAG: Wrong direction shift (Hit/Hit) 0.0 R7 AR Pathway Model, Antagonist Model Score 0.0398 Unitless COP(=O)(OC)OC(Br)C(Cl)(Cl)Br Naled 300-76-5|Naled|1,2-Dibromo-2,2-dichloroethyl dimethyl phosphate|Arthodibrom|BRN 2049930|Bromchlophos|Caswell No. 586|Dibrom|Dibrom 8 Emulsive|Dibrom Pestanal|Dibromfos|Dimethyl 1,2-dibromo-2,2-dichloroethyl phosphate|dimethyl-1,2-dibromo-2,2-dichloroethyl phosphate|EINECS 206-098-3|ENT 24988|EPA Pesticide Chemical Code 034401|Ethanol, 1,2-dibromo-2,2-dichloro-, dimethyl phosphate|Flibol Ex|Fosbrom|Fosforan O-1,2-dwubromo-2,2-dwuchloroetylo-O,O-dwumetylowy|Nikabrom|O-(1,2-Dibrom-2,2-dichlor-aethyl)-O,O-dimethyl-phosphat|O-(1,2-dibromo-2,2-dichloroethyl)-O,O-dimethyl phosphate|O-(1,2-Dibromo-2,2-dicloro-etil)-O,O-dimetil-fosfato|O-(1,2-Dibroom-2,2-dichloor-ethyl)-O,O-dimethyl-fosfaat|O,O-Dimethyl O-(1,2-dibromo-2,2-dichloroethyl) phosphate|O,O-Dimethyl O-2,2-dichloro-1,2-dibromoethyl phosphate|O,O-Dimethyl-O-(1,2-dibrom-2,2-dichlor-aethyl)-phosphat|O,O-Dimethyl-O-(1,2-dibromo-2,2-dichloroethyl)phosphate|Ortho-dibrom|Orthodibromo|Phosphate de O,O-dimethyle et de O-(1,2-dibromo-2,2-dichlorethyle)|Phosphoric acid, 1,2-dibromo-2,|53095-31-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024209
ARPathway2016 ARPathway2016_148 Naled 300-76-5 DTXSID1024209 FLAG: Wrong direction shift (Hit/Hit) 0.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless COP(=O)(OC)OC(Br)C(Cl)(Cl)Br Naled 300-76-5|Naled|1,2-Dibromo-2,2-dichloroethyl dimethyl phosphate|Arthodibrom|BRN 2049930|Bromchlophos|Caswell No. 586|Dibrom|Dibrom 8 Emulsive|Dibrom Pestanal|Dibromfos|Dimethyl 1,2-dibromo-2,2-dichloroethyl phosphate|dimethyl-1,2-dibromo-2,2-dichloroethyl phosphate|EINECS 206-098-3|ENT 24988|EPA Pesticide Chemical Code 034401|Ethanol, 1,2-dibromo-2,2-dichloro-, dimethyl phosphate|Flibol Ex|Fosbrom|Fosforan O-1,2-dwubromo-2,2-dwuchloroetylo-O,O-dwumetylowy|Nikabrom|O-(1,2-Dibrom-2,2-dichlor-aethyl)-O,O-dimethyl-phosphat|O-(1,2-dibromo-2,2-dichloroethyl)-O,O-dimethyl phosphate|O-(1,2-Dibromo-2,2-dicloro-etil)-O,O-dimetil-fosfato|O-(1,2-Dibroom-2,2-dichloor-ethyl)-O,O-dimethyl-fosfaat|O,O-Dimethyl O-(1,2-dibromo-2,2-dichloroethyl) phosphate|O,O-Dimethyl O-2,2-dichloro-1,2-dibromoethyl phosphate|O,O-Dimethyl-O-(1,2-dibrom-2,2-dichlor-aethyl)-phosphat|O,O-Dimethyl-O-(1,2-dibromo-2,2-dichloroethyl)phosphate|Ortho-dibrom|Orthodibromo|Phosphate de O,O-dimethyle et de O-(1,2-dibromo-2,2-dichlorethyle)|Phosphoric acid, 1,2-dibromo-2,|53095-31-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024209
ARPathway2016 ARPathway2016_148 Naled 300-76-5 DTXSID1024209 FLAG: Wrong direction shift (Hit/Hit) 0.0 R7 AR Pathway Model, Agonist Call Active Unitless COP(=O)(OC)OC(Br)C(Cl)(Cl)Br Naled 300-76-5|Naled|1,2-Dibromo-2,2-dichloroethyl dimethyl phosphate|Arthodibrom|BRN 2049930|Bromchlophos|Caswell No. 586|Dibrom|Dibrom 8 Emulsive|Dibrom Pestanal|Dibromfos|Dimethyl 1,2-dibromo-2,2-dichloroethyl phosphate|dimethyl-1,2-dibromo-2,2-dichloroethyl phosphate|EINECS 206-098-3|ENT 24988|EPA Pesticide Chemical Code 034401|Ethanol, 1,2-dibromo-2,2-dichloro-, dimethyl phosphate|Flibol Ex|Fosbrom|Fosforan O-1,2-dwubromo-2,2-dwuchloroetylo-O,O-dwumetylowy|Nikabrom|O-(1,2-Dibrom-2,2-dichlor-aethyl)-O,O-dimethyl-phosphat|O-(1,2-dibromo-2,2-dichloroethyl)-O,O-dimethyl phosphate|O-(1,2-Dibromo-2,2-dicloro-etil)-O,O-dimetil-fosfato|O-(1,2-Dibroom-2,2-dichloor-ethyl)-O,O-dimethyl-fosfaat|O,O-Dimethyl O-(1,2-dibromo-2,2-dichloroethyl) phosphate|O,O-Dimethyl O-2,2-dichloro-1,2-dibromoethyl phosphate|O,O-Dimethyl-O-(1,2-dibrom-2,2-dichlor-aethyl)-phosphat|O,O-Dimethyl-O-(1,2-dibromo-2,2-dichloroethyl)phosphate|Ortho-dibrom|Orthodibromo|Phosphate de O,O-dimethyle et de O-(1,2-dibromo-2,2-dichlorethyle)|Phosphoric acid, 1,2-dibromo-2,|53095-31-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024209
ARPathway2016 ARPathway2016_148 Naled 300-76-5 DTXSID1024209 FLAG: Wrong direction shift (Hit/Hit) 0.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless COP(=O)(OC)OC(Br)C(Cl)(Cl)Br Naled 300-76-5|Naled|1,2-Dibromo-2,2-dichloroethyl dimethyl phosphate|Arthodibrom|BRN 2049930|Bromchlophos|Caswell No. 586|Dibrom|Dibrom 8 Emulsive|Dibrom Pestanal|Dibromfos|Dimethyl 1,2-dibromo-2,2-dichloroethyl phosphate|dimethyl-1,2-dibromo-2,2-dichloroethyl phosphate|EINECS 206-098-3|ENT 24988|EPA Pesticide Chemical Code 034401|Ethanol, 1,2-dibromo-2,2-dichloro-, dimethyl phosphate|Flibol Ex|Fosbrom|Fosforan O-1,2-dwubromo-2,2-dwuchloroetylo-O,O-dwumetylowy|Nikabrom|O-(1,2-Dibrom-2,2-dichlor-aethyl)-O,O-dimethyl-phosphat|O-(1,2-dibromo-2,2-dichloroethyl)-O,O-dimethyl phosphate|O-(1,2-Dibromo-2,2-dicloro-etil)-O,O-dimetil-fosfato|O-(1,2-Dibroom-2,2-dichloor-ethyl)-O,O-dimethyl-fosfaat|O,O-Dimethyl O-(1,2-dibromo-2,2-dichloroethyl) phosphate|O,O-Dimethyl O-2,2-dichloro-1,2-dibromoethyl phosphate|O,O-Dimethyl-O-(1,2-dibrom-2,2-dichlor-aethyl)-phosphat|O,O-Dimethyl-O-(1,2-dibromo-2,2-dichloroethyl)phosphate|Ortho-dibrom|Orthodibromo|Phosphate de O,O-dimethyle et de O-(1,2-dibromo-2,2-dichlorethyle)|Phosphoric acid, 1,2-dibromo-2,|53095-31-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024209
ERPathway2016 ERPathway2016_1441 Naled 300-76-5 DTXSID1024209 ER Pathway Model, Agonist Model Score 0 Unitless COP(=O)(OC)OC(Br)C(Cl)(Cl)Br Naled 300-76-5|Naled|1,2-Dibromo-2,2-dichloroethyl dimethyl phosphate|Arthodibrom|BRN 2049930|Bromchlophos|Caswell No. 586|Dibrom|Dibrom 8 Emulsive|Dibrom Pestanal|Dibromfos|Dimethyl 1,2-dibromo-2,2-dichloroethyl phosphate|dimethyl-1,2-dibromo-2,2-dichloroethyl phosphate|EINECS 206-098-3|ENT 24988|EPA Pesticide Chemical Code 034401|Ethanol, 1,2-dibromo-2,2-dichloro-, dimethyl phosphate|Flibol Ex|Fosbrom|Fosforan O-1,2-dwubromo-2,2-dwuchloroetylo-O,O-dwumetylowy|Nikabrom|O-(1,2-Dibrom-2,2-dichlor-aethyl)-O,O-dimethyl-phosphat|O-(1,2-dibromo-2,2-dichloroethyl)-O,O-dimethyl phosphate|O-(1,2-Dibromo-2,2-dicloro-etil)-O,O-dimetil-fosfato|O-(1,2-Dibroom-2,2-dichloor-ethyl)-O,O-dimethyl-fosfaat|O,O-Dimethyl O-(1,2-dibromo-2,2-dichloroethyl) phosphate|O,O-Dimethyl O-2,2-dichloro-1,2-dibromoethyl phosphate|O,O-Dimethyl-O-(1,2-dibrom-2,2-dichlor-aethyl)-phosphat|O,O-Dimethyl-O-(1,2-dibromo-2,2-dichloroethyl)phosphate|Ortho-dibrom|Orthodibromo|Phosphate de O,O-dimethyle et de O-(1,2-dibromo-2,2-dichlorethyle)|Phosphoric acid, 1,2-dibromo-2,|53095-31-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024209
ERPathway2016 ERPathway2016_1441 Naled 300-76-5 DTXSID1024209 ER Pathway Model, Antagonist Model Score 0 Unitless COP(=O)(OC)OC(Br)C(Cl)(Cl)Br Naled 300-76-5|Naled|1,2-Dibromo-2,2-dichloroethyl dimethyl phosphate|Arthodibrom|BRN 2049930|Bromchlophos|Caswell No. 586|Dibrom|Dibrom 8 Emulsive|Dibrom Pestanal|Dibromfos|Dimethyl 1,2-dibromo-2,2-dichloroethyl phosphate|dimethyl-1,2-dibromo-2,2-dichloroethyl phosphate|EINECS 206-098-3|ENT 24988|EPA Pesticide Chemical Code 034401|Ethanol, 1,2-dibromo-2,2-dichloro-, dimethyl phosphate|Flibol Ex|Fosbrom|Fosforan O-1,2-dwubromo-2,2-dwuchloroetylo-O,O-dwumetylowy|Nikabrom|O-(1,2-Dibrom-2,2-dichlor-aethyl)-O,O-dimethyl-phosphat|O-(1,2-dibromo-2,2-dichloroethyl)-O,O-dimethyl phosphate|O-(1,2-Dibromo-2,2-dicloro-etil)-O,O-dimetil-fosfato|O-(1,2-Dibroom-2,2-dichloor-ethyl)-O,O-dimethyl-fosfaat|O,O-Dimethyl O-(1,2-dibromo-2,2-dichloroethyl) phosphate|O,O-Dimethyl O-2,2-dichloro-1,2-dibromoethyl phosphate|O,O-Dimethyl-O-(1,2-dibrom-2,2-dichlor-aethyl)-phosphat|O,O-Dimethyl-O-(1,2-dibromo-2,2-dichloroethyl)phosphate|Ortho-dibrom|Orthodibromo|Phosphate de O,O-dimethyle et de O-(1,2-dibromo-2,2-dichlorethyle)|Phosphoric acid, 1,2-dibromo-2,|53095-31-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024209
ERPathway2016 ERPathway2016_1441 Naled 300-76-5 DTXSID1024209 ER Pathway Model, Agonist Call Inactive Unitless COP(=O)(OC)OC(Br)C(Cl)(Cl)Br Naled 300-76-5|Naled|1,2-Dibromo-2,2-dichloroethyl dimethyl phosphate|Arthodibrom|BRN 2049930|Bromchlophos|Caswell No. 586|Dibrom|Dibrom 8 Emulsive|Dibrom Pestanal|Dibromfos|Dimethyl 1,2-dibromo-2,2-dichloroethyl phosphate|dimethyl-1,2-dibromo-2,2-dichloroethyl phosphate|EINECS 206-098-3|ENT 24988|EPA Pesticide Chemical Code 034401|Ethanol, 1,2-dibromo-2,2-dichloro-, dimethyl phosphate|Flibol Ex|Fosbrom|Fosforan O-1,2-dwubromo-2,2-dwuchloroetylo-O,O-dwumetylowy|Nikabrom|O-(1,2-Dibrom-2,2-dichlor-aethyl)-O,O-dimethyl-phosphat|O-(1,2-dibromo-2,2-dichloroethyl)-O,O-dimethyl phosphate|O-(1,2-Dibromo-2,2-dicloro-etil)-O,O-dimetil-fosfato|O-(1,2-Dibroom-2,2-dichloor-ethyl)-O,O-dimethyl-fosfaat|O,O-Dimethyl O-(1,2-dibromo-2,2-dichloroethyl) phosphate|O,O-Dimethyl O-2,2-dichloro-1,2-dibromoethyl phosphate|O,O-Dimethyl-O-(1,2-dibrom-2,2-dichlor-aethyl)-phosphat|O,O-Dimethyl-O-(1,2-dibromo-2,2-dichloroethyl)phosphate|Ortho-dibrom|Orthodibromo|Phosphate de O,O-dimethyle et de O-(1,2-dibromo-2,2-dichlorethyle)|Phosphoric acid, 1,2-dibromo-2,|53095-31-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024209
ERPathway2016 ERPathway2016_1441 Naled 300-76-5 DTXSID1024209 ER Pathway Model, Antagonist Call Inactive Unitless COP(=O)(OC)OC(Br)C(Cl)(Cl)Br Naled 300-76-5|Naled|1,2-Dibromo-2,2-dichloroethyl dimethyl phosphate|Arthodibrom|BRN 2049930|Bromchlophos|Caswell No. 586|Dibrom|Dibrom 8 Emulsive|Dibrom Pestanal|Dibromfos|Dimethyl 1,2-dibromo-2,2-dichloroethyl phosphate|dimethyl-1,2-dibromo-2,2-dichloroethyl phosphate|EINECS 206-098-3|ENT 24988|EPA Pesticide Chemical Code 034401|Ethanol, 1,2-dibromo-2,2-dichloro-, dimethyl phosphate|Flibol Ex|Fosbrom|Fosforan O-1,2-dwubromo-2,2-dwuchloroetylo-O,O-dwumetylowy|Nikabrom|O-(1,2-Dibrom-2,2-dichlor-aethyl)-O,O-dimethyl-phosphat|O-(1,2-dibromo-2,2-dichloroethyl)-O,O-dimethyl phosphate|O-(1,2-Dibromo-2,2-dicloro-etil)-O,O-dimetil-fosfato|O-(1,2-Dibroom-2,2-dichloor-ethyl)-O,O-dimethyl-fosfaat|O,O-Dimethyl O-(1,2-dibromo-2,2-dichloroethyl) phosphate|O,O-Dimethyl O-2,2-dichloro-1,2-dibromoethyl phosphate|O,O-Dimethyl-O-(1,2-dibrom-2,2-dichlor-aethyl)-phosphat|O,O-Dimethyl-O-(1,2-dibromo-2,2-dichloroethyl)phosphate|Ortho-dibrom|Orthodibromo|Phosphate de O,O-dimethyle et de O-(1,2-dibromo-2,2-dichlorethyle)|Phosphoric acid, 1,2-dibromo-2,|53095-31-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024209
ARPathway2016 ARPathway2016_1300 n-Amyl butyrate 540-18-1 DTXSID4041604 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCOC(=O)CCC n-Amyl butyrate 540-18-1|n-Amyl butyrate|1-Pentyl butyrate|Amyl butanoate|Amyl butyrate|BRN 1752307|Butanoic acid, pentyl ester|EINECS 208-739-2|FEMA No. 2059|n-Pentyl butanoate|n-Pentyl butyrate|n-Pentyl n-butyrate|NSC 7935|Pentyl butanoate|Pentyl butyrate|UNII-3Q2JP0VD8J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041604
ARPathway2016 ARPathway2016_1300 n-Amyl butyrate 540-18-1 DTXSID4041604 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCOC(=O)CCC n-Amyl butyrate 540-18-1|n-Amyl butyrate|1-Pentyl butyrate|Amyl butanoate|Amyl butyrate|BRN 1752307|Butanoic acid, pentyl ester|EINECS 208-739-2|FEMA No. 2059|n-Pentyl butanoate|n-Pentyl butyrate|n-Pentyl n-butyrate|NSC 7935|Pentyl butanoate|Pentyl butyrate|UNII-3Q2JP0VD8J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041604
ARPathway2016 ARPathway2016_1300 n-Amyl butyrate 540-18-1 DTXSID4041604 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCOC(=O)CCC n-Amyl butyrate 540-18-1|n-Amyl butyrate|1-Pentyl butyrate|Amyl butanoate|Amyl butyrate|BRN 1752307|Butanoic acid, pentyl ester|EINECS 208-739-2|FEMA No. 2059|n-Pentyl butanoate|n-Pentyl butyrate|n-Pentyl n-butyrate|NSC 7935|Pentyl butanoate|Pentyl butyrate|UNII-3Q2JP0VD8J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041604
ARPathway2016 ARPathway2016_1300 n-Amyl butyrate 540-18-1 DTXSID4041604 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCOC(=O)CCC n-Amyl butyrate 540-18-1|n-Amyl butyrate|1-Pentyl butyrate|Amyl butanoate|Amyl butyrate|BRN 1752307|Butanoic acid, pentyl ester|EINECS 208-739-2|FEMA No. 2059|n-Pentyl butanoate|n-Pentyl butyrate|n-Pentyl n-butyrate|NSC 7935|Pentyl butanoate|Pentyl butyrate|UNII-3Q2JP0VD8J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041604
ERPathway2016 ERPathway2016_1522 n-Amyl butyrate 540-18-1 DTXSID4041604 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCOC(=O)CCC n-Amyl butyrate 540-18-1|n-Amyl butyrate|1-Pentyl butyrate|Amyl butanoate|Amyl butyrate|BRN 1752307|Butanoic acid, pentyl ester|EINECS 208-739-2|FEMA No. 2059|n-Pentyl butanoate|n-Pentyl butyrate|n-Pentyl n-butyrate|NSC 7935|Pentyl butanoate|Pentyl butyrate|UNII-3Q2JP0VD8J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041604
ERPathway2016 ERPathway2016_1522 n-Amyl butyrate 540-18-1 DTXSID4041604 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCOC(=O)CCC n-Amyl butyrate 540-18-1|n-Amyl butyrate|1-Pentyl butyrate|Amyl butanoate|Amyl butyrate|BRN 1752307|Butanoic acid, pentyl ester|EINECS 208-739-2|FEMA No. 2059|n-Pentyl butanoate|n-Pentyl butyrate|n-Pentyl n-butyrate|NSC 7935|Pentyl butanoate|Pentyl butyrate|UNII-3Q2JP0VD8J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041604
ERPathway2016 ERPathway2016_1522 n-Amyl butyrate 540-18-1 DTXSID4041604 ER Pathway Model, Agonist Call Inactive Unitless CCCCCOC(=O)CCC n-Amyl butyrate 540-18-1|n-Amyl butyrate|1-Pentyl butyrate|Amyl butanoate|Amyl butyrate|BRN 1752307|Butanoic acid, pentyl ester|EINECS 208-739-2|FEMA No. 2059|n-Pentyl butanoate|n-Pentyl butyrate|n-Pentyl n-butyrate|NSC 7935|Pentyl butanoate|Pentyl butyrate|UNII-3Q2JP0VD8J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041604
ERPathway2016 ERPathway2016_1522 n-Amyl butyrate 540-18-1 DTXSID4041604 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCOC(=O)CCC n-Amyl butyrate 540-18-1|n-Amyl butyrate|1-Pentyl butyrate|Amyl butanoate|Amyl butyrate|BRN 1752307|Butanoic acid, pentyl ester|EINECS 208-739-2|FEMA No. 2059|n-Pentyl butanoate|n-Pentyl butyrate|n-Pentyl n-butyrate|NSC 7935|Pentyl butanoate|Pentyl butyrate|UNII-3Q2JP0VD8J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041604
ARPathway2016 ARPathway2016_1707 Naphthalene 91-20-3 DTXSID8020913 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=CC=CC=C2C=C1 Naphthalene 91-20-3|Naphthalene|Albocarbon|Camphor tar|Caswell No. 587|Dezodorator|EINECS 202-049-5|EPA Pesticide Chemical Code 055801|Moth balls|Moth flakes|Mothballs|Naftalen|naftaleno|naftaleno, puro|naftalina|Naphtalene|naphtaline|Naphtalinum|Naphthalen|NAPHTHALENE SCALES|Naphthalin|Naphthaline|Naphthalinum|Naphthene|Napthalene|NCI-C52904|NSC 37565|RCRA waste number U165|Tar camphor|UN 2304|UNII-2166IN72UN|White tar|72931-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020913 https://doi.org/10.22427/NTP-DATA-DTXSID8020913
ARPathway2016 ARPathway2016_1707 Naphthalene 91-20-3 DTXSID8020913 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1=CC2=CC=CC=C2C=C1 Naphthalene 91-20-3|Naphthalene|Albocarbon|Camphor tar|Caswell No. 587|Dezodorator|EINECS 202-049-5|EPA Pesticide Chemical Code 055801|Moth balls|Moth flakes|Mothballs|Naftalen|naftaleno|naftaleno, puro|naftalina|Naphtalene|naphtaline|Naphtalinum|Naphthalen|NAPHTHALENE SCALES|Naphthalin|Naphthaline|Naphthalinum|Naphthene|Napthalene|NCI-C52904|NSC 37565|RCRA waste number U165|Tar camphor|UN 2304|UNII-2166IN72UN|White tar|72931-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020913 https://doi.org/10.22427/NTP-DATA-DTXSID8020913
ARPathway2016 ARPathway2016_1707 Naphthalene 91-20-3 DTXSID8020913 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1=CC2=CC=CC=C2C=C1 Naphthalene 91-20-3|Naphthalene|Albocarbon|Camphor tar|Caswell No. 587|Dezodorator|EINECS 202-049-5|EPA Pesticide Chemical Code 055801|Moth balls|Moth flakes|Mothballs|Naftalen|naftaleno|naftaleno, puro|naftalina|Naphtalene|naphtaline|Naphtalinum|Naphthalen|NAPHTHALENE SCALES|Naphthalin|Naphthaline|Naphthalinum|Naphthene|Napthalene|NCI-C52904|NSC 37565|RCRA waste number U165|Tar camphor|UN 2304|UNII-2166IN72UN|White tar|72931-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020913 https://doi.org/10.22427/NTP-DATA-DTXSID8020913
ARPathway2016 ARPathway2016_1707 Naphthalene 91-20-3 DTXSID8020913 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1=CC2=CC=CC=C2C=C1 Naphthalene 91-20-3|Naphthalene|Albocarbon|Camphor tar|Caswell No. 587|Dezodorator|EINECS 202-049-5|EPA Pesticide Chemical Code 055801|Moth balls|Moth flakes|Mothballs|Naftalen|naftaleno|naftaleno, puro|naftalina|Naphtalene|naphtaline|Naphtalinum|Naphthalen|NAPHTHALENE SCALES|Naphthalin|Naphthaline|Naphthalinum|Naphthene|Napthalene|NCI-C52904|NSC 37565|RCRA waste number U165|Tar camphor|UN 2304|UNII-2166IN72UN|White tar|72931-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020913 https://doi.org/10.22427/NTP-DATA-DTXSID8020913
ERPathway2016 ERPathway2016_950 Naphthalene 91-20-3 DTXSID8020913 ER Pathway Model, Agonist Model Score 0 Unitless C1=CC2=CC=CC=C2C=C1 Naphthalene 91-20-3|Naphthalene|Albocarbon|Camphor tar|Caswell No. 587|Dezodorator|EINECS 202-049-5|EPA Pesticide Chemical Code 055801|Moth balls|Moth flakes|Mothballs|Naftalen|naftaleno|naftaleno, puro|naftalina|Naphtalene|naphtaline|Naphtalinum|Naphthalen|NAPHTHALENE SCALES|Naphthalin|Naphthaline|Naphthalinum|Naphthene|Napthalene|NCI-C52904|NSC 37565|RCRA waste number U165|Tar camphor|UN 2304|UNII-2166IN72UN|White tar|72931-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020913 https://doi.org/10.22427/NTP-DATA-DTXSID8020913
ERPathway2016 ERPathway2016_950 Naphthalene 91-20-3 DTXSID8020913 ER Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=CC=CC=C2C=C1 Naphthalene 91-20-3|Naphthalene|Albocarbon|Camphor tar|Caswell No. 587|Dezodorator|EINECS 202-049-5|EPA Pesticide Chemical Code 055801|Moth balls|Moth flakes|Mothballs|Naftalen|naftaleno|naftaleno, puro|naftalina|Naphtalene|naphtaline|Naphtalinum|Naphthalen|NAPHTHALENE SCALES|Naphthalin|Naphthaline|Naphthalinum|Naphthene|Napthalene|NCI-C52904|NSC 37565|RCRA waste number U165|Tar camphor|UN 2304|UNII-2166IN72UN|White tar|72931-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020913 https://doi.org/10.22427/NTP-DATA-DTXSID8020913
ERPathway2016 ERPathway2016_950 Naphthalene 91-20-3 DTXSID8020913 ER Pathway Model, Agonist Call Inactive Unitless C1=CC2=CC=CC=C2C=C1 Naphthalene 91-20-3|Naphthalene|Albocarbon|Camphor tar|Caswell No. 587|Dezodorator|EINECS 202-049-5|EPA Pesticide Chemical Code 055801|Moth balls|Moth flakes|Mothballs|Naftalen|naftaleno|naftaleno, puro|naftalina|Naphtalene|naphtaline|Naphtalinum|Naphthalen|NAPHTHALENE SCALES|Naphthalin|Naphthaline|Naphthalinum|Naphthene|Napthalene|NCI-C52904|NSC 37565|RCRA waste number U165|Tar camphor|UN 2304|UNII-2166IN72UN|White tar|72931-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020913 https://doi.org/10.22427/NTP-DATA-DTXSID8020913
ERPathway2016 ERPathway2016_950 Naphthalene 91-20-3 DTXSID8020913 ER Pathway Model, Antagonist Call Inactive Unitless C1=CC2=CC=CC=C2C=C1 Naphthalene 91-20-3|Naphthalene|Albocarbon|Camphor tar|Caswell No. 587|Dezodorator|EINECS 202-049-5|EPA Pesticide Chemical Code 055801|Moth balls|Moth flakes|Mothballs|Naftalen|naftaleno|naftaleno, puro|naftalina|Naphtalene|naphtaline|Naphtalinum|Naphthalen|NAPHTHALENE SCALES|Naphthalin|Naphthaline|Naphthalinum|Naphthene|Napthalene|NCI-C52904|NSC 37565|RCRA waste number U165|Tar camphor|UN 2304|UNII-2166IN72UN|White tar|72931-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020913 https://doi.org/10.22427/NTP-DATA-DTXSID8020913
ARPathway2016 ARPathway2016_665 Naphthalene-2-sulfonic acid 120-18-3 DTXSID5044788 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless OS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1 Naphthalene-2-sulfonic acid 120-18-3|Naphthalene-2-sulfonic acid|2-Naphthalenesulfonic acid|2-Naphthylsulfonic acid|2-Sulfonaphthalene|4-11-00-00527|Acide naphtalene-2-sulfonique|acido naftaleno-2-sulfonico|beta-Naphthalenesulfonic acid|beta-Naphthylsulfonic acid|BRN 1955756|Dirinal NSK|EINECS 204-375-3|Kyselina 2-naftalensulfonova|naphthalene-2-sulphonic acid|Naphthalin-2-sulfonsaure|UNII-O9S4K2S25E|b-Naphthalenesulfonic acid|b-Naphthylsulfonic acid|54257-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044788
ARPathway2016 ARPathway2016_665 Naphthalene-2-sulfonic acid 120-18-3 DTXSID5044788 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless OS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1 Naphthalene-2-sulfonic acid 120-18-3|Naphthalene-2-sulfonic acid|2-Naphthalenesulfonic acid|2-Naphthylsulfonic acid|2-Sulfonaphthalene|4-11-00-00527|Acide naphtalene-2-sulfonique|acido naftaleno-2-sulfonico|beta-Naphthalenesulfonic acid|beta-Naphthylsulfonic acid|BRN 1955756|Dirinal NSK|EINECS 204-375-3|Kyselina 2-naftalensulfonova|naphthalene-2-sulphonic acid|Naphthalin-2-sulfonsaure|UNII-O9S4K2S25E|b-Naphthalenesulfonic acid|b-Naphthylsulfonic acid|54257-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044788
ARPathway2016 ARPathway2016_665 Naphthalene-2-sulfonic acid 120-18-3 DTXSID5044788 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless OS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1 Naphthalene-2-sulfonic acid 120-18-3|Naphthalene-2-sulfonic acid|2-Naphthalenesulfonic acid|2-Naphthylsulfonic acid|2-Sulfonaphthalene|4-11-00-00527|Acide naphtalene-2-sulfonique|acido naftaleno-2-sulfonico|beta-Naphthalenesulfonic acid|beta-Naphthylsulfonic acid|BRN 1955756|Dirinal NSK|EINECS 204-375-3|Kyselina 2-naftalensulfonova|naphthalene-2-sulphonic acid|Naphthalin-2-sulfonsaure|UNII-O9S4K2S25E|b-Naphthalenesulfonic acid|b-Naphthylsulfonic acid|54257-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044788
ARPathway2016 ARPathway2016_665 Naphthalene-2-sulfonic acid 120-18-3 DTXSID5044788 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless OS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1 Naphthalene-2-sulfonic acid 120-18-3|Naphthalene-2-sulfonic acid|2-Naphthalenesulfonic acid|2-Naphthylsulfonic acid|2-Sulfonaphthalene|4-11-00-00527|Acide naphtalene-2-sulfonique|acido naftaleno-2-sulfonico|beta-Naphthalenesulfonic acid|beta-Naphthylsulfonic acid|BRN 1955756|Dirinal NSK|EINECS 204-375-3|Kyselina 2-naftalensulfonova|naphthalene-2-sulphonic acid|Naphthalin-2-sulfonsaure|UNII-O9S4K2S25E|b-Naphthalenesulfonic acid|b-Naphthylsulfonic acid|54257-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044788
ERPathway2016 ERPathway2016_1207 Naphthalene-2-sulfonic acid 120-18-3 DTXSID5044788 ER Pathway Model, Agonist Model Score 0 Unitless OS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1 Naphthalene-2-sulfonic acid 120-18-3|Naphthalene-2-sulfonic acid|2-Naphthalenesulfonic acid|2-Naphthylsulfonic acid|2-Sulfonaphthalene|4-11-00-00527|Acide naphtalene-2-sulfonique|acido naftaleno-2-sulfonico|beta-Naphthalenesulfonic acid|beta-Naphthylsulfonic acid|BRN 1955756|Dirinal NSK|EINECS 204-375-3|Kyselina 2-naftalensulfonova|naphthalene-2-sulphonic acid|Naphthalin-2-sulfonsaure|UNII-O9S4K2S25E|b-Naphthalenesulfonic acid|b-Naphthylsulfonic acid|54257-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044788
ERPathway2016 ERPathway2016_1207 Naphthalene-2-sulfonic acid 120-18-3 DTXSID5044788 ER Pathway Model, Antagonist Model Score 0 Unitless OS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1 Naphthalene-2-sulfonic acid 120-18-3|Naphthalene-2-sulfonic acid|2-Naphthalenesulfonic acid|2-Naphthylsulfonic acid|2-Sulfonaphthalene|4-11-00-00527|Acide naphtalene-2-sulfonique|acido naftaleno-2-sulfonico|beta-Naphthalenesulfonic acid|beta-Naphthylsulfonic acid|BRN 1955756|Dirinal NSK|EINECS 204-375-3|Kyselina 2-naftalensulfonova|naphthalene-2-sulphonic acid|Naphthalin-2-sulfonsaure|UNII-O9S4K2S25E|b-Naphthalenesulfonic acid|b-Naphthylsulfonic acid|54257-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044788
ERPathway2016 ERPathway2016_1207 Naphthalene-2-sulfonic acid 120-18-3 DTXSID5044788 ER Pathway Model, Agonist Call Inactive Unitless OS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1 Naphthalene-2-sulfonic acid 120-18-3|Naphthalene-2-sulfonic acid|2-Naphthalenesulfonic acid|2-Naphthylsulfonic acid|2-Sulfonaphthalene|4-11-00-00527|Acide naphtalene-2-sulfonique|acido naftaleno-2-sulfonico|beta-Naphthalenesulfonic acid|beta-Naphthylsulfonic acid|BRN 1955756|Dirinal NSK|EINECS 204-375-3|Kyselina 2-naftalensulfonova|naphthalene-2-sulphonic acid|Naphthalin-2-sulfonsaure|UNII-O9S4K2S25E|b-Naphthalenesulfonic acid|b-Naphthylsulfonic acid|54257-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044788
ERPathway2016 ERPathway2016_1207 Naphthalene-2-sulfonic acid 120-18-3 DTXSID5044788 ER Pathway Model, Antagonist Call Inactive Unitless OS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1 Naphthalene-2-sulfonic acid 120-18-3|Naphthalene-2-sulfonic acid|2-Naphthalenesulfonic acid|2-Naphthylsulfonic acid|2-Sulfonaphthalene|4-11-00-00527|Acide naphtalene-2-sulfonique|acido naftaleno-2-sulfonico|beta-Naphthalenesulfonic acid|beta-Naphthylsulfonic acid|BRN 1955756|Dirinal NSK|EINECS 204-375-3|Kyselina 2-naftalensulfonova|naphthalene-2-sulphonic acid|Naphthalin-2-sulfonsaure|UNII-O9S4K2S25E|b-Naphthalenesulfonic acid|b-Naphthylsulfonic acid|54257-18-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044788
ARPathway2016 ARPathway2016_81 Napropamide 15299-99-7 DTXSID5024211 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 11.5471680964234 uM CCN(CC)C(=O)C(C)OC1=C2C=CC=CC2=CC=C1 Napropamide 15299-99-7|Napropamide|(.+-.)-Devrinol|2-(1-Naphthoxy)-N,N-diethylpropionamide|2-(alpha-Naphthoxy)-N,N-diaethyl-propionsaeureamid|2-(alpha-Naphthoxy)-N,N-diethylpropionamide|2-(a-Naphthoxy)-N,N-diethylpropionamide|BRN 2217870|Caswell No. 590A|Devrinol|EINECS 239-333-3|EPA Pesticide Chemical Code 103001|N,N-Diethyl-2-(1-naphthalenyloxy)propanamide|N,N-Diethyl-2-(1-naphthalenyloxy)propionamide|N,N-Diethyl-2-(1-naphthyloxy)propanamide|Napropamid|napropamida|Propanamide, N,N-diethyl-2-(1-naphthalenyloxy)-|Propionamide, N,N-diethyl-2-(1-naphthyloxy)-|Racemic devrinol|154799-64-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024211
ARPathway2016 ARPathway2016_81 Napropamide 15299-99-7 DTXSID5024211 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 8.99461951657809 uM CCN(CC)C(=O)C(C)OC1=C2C=CC=CC2=CC=C1 Napropamide 15299-99-7|Napropamide|(.+-.)-Devrinol|2-(1-Naphthoxy)-N,N-diethylpropionamide|2-(alpha-Naphthoxy)-N,N-diaethyl-propionsaeureamid|2-(alpha-Naphthoxy)-N,N-diethylpropionamide|2-(a-Naphthoxy)-N,N-diethylpropionamide|BRN 2217870|Caswell No. 590A|Devrinol|EINECS 239-333-3|EPA Pesticide Chemical Code 103001|N,N-Diethyl-2-(1-naphthalenyloxy)propanamide|N,N-Diethyl-2-(1-naphthalenyloxy)propionamide|N,N-Diethyl-2-(1-naphthyloxy)propanamide|Napropamid|napropamida|Propanamide, N,N-diethyl-2-(1-naphthalenyloxy)-|Propionamide, N,N-diethyl-2-(1-naphthyloxy)-|Racemic devrinol|154799-64-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024211
ARPathway2016 ARPathway2016_81 Napropamide 15299-99-7 DTXSID5024211 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.314 Unitless CCN(CC)C(=O)C(C)OC1=C2C=CC=CC2=CC=C1 Napropamide 15299-99-7|Napropamide|(.+-.)-Devrinol|2-(1-Naphthoxy)-N,N-diethylpropionamide|2-(alpha-Naphthoxy)-N,N-diaethyl-propionsaeureamid|2-(alpha-Naphthoxy)-N,N-diethylpropionamide|2-(a-Naphthoxy)-N,N-diethylpropionamide|BRN 2217870|Caswell No. 590A|Devrinol|EINECS 239-333-3|EPA Pesticide Chemical Code 103001|N,N-Diethyl-2-(1-naphthalenyloxy)propanamide|N,N-Diethyl-2-(1-naphthalenyloxy)propionamide|N,N-Diethyl-2-(1-naphthyloxy)propanamide|Napropamid|napropamida|Propanamide, N,N-diethyl-2-(1-naphthalenyloxy)-|Propionamide, N,N-diethyl-2-(1-naphthyloxy)-|Racemic devrinol|154799-64-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024211
ARPathway2016 ARPathway2016_81 Napropamide 15299-99-7 DTXSID5024211 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCN(CC)C(=O)C(C)OC1=C2C=CC=CC2=CC=C1 Napropamide 15299-99-7|Napropamide|(.+-.)-Devrinol|2-(1-Naphthoxy)-N,N-diethylpropionamide|2-(alpha-Naphthoxy)-N,N-diaethyl-propionsaeureamid|2-(alpha-Naphthoxy)-N,N-diethylpropionamide|2-(a-Naphthoxy)-N,N-diethylpropionamide|BRN 2217870|Caswell No. 590A|Devrinol|EINECS 239-333-3|EPA Pesticide Chemical Code 103001|N,N-Diethyl-2-(1-naphthalenyloxy)propanamide|N,N-Diethyl-2-(1-naphthalenyloxy)propionamide|N,N-Diethyl-2-(1-naphthyloxy)propanamide|Napropamid|napropamida|Propanamide, N,N-diethyl-2-(1-naphthalenyloxy)-|Propionamide, N,N-diethyl-2-(1-naphthyloxy)-|Racemic devrinol|154799-64-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024211
ARPathway2016 ARPathway2016_81 Napropamide 15299-99-7 DTXSID5024211 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCN(CC)C(=O)C(C)OC1=C2C=CC=CC2=CC=C1 Napropamide 15299-99-7|Napropamide|(.+-.)-Devrinol|2-(1-Naphthoxy)-N,N-diethylpropionamide|2-(alpha-Naphthoxy)-N,N-diaethyl-propionsaeureamid|2-(alpha-Naphthoxy)-N,N-diethylpropionamide|2-(a-Naphthoxy)-N,N-diethylpropionamide|BRN 2217870|Caswell No. 590A|Devrinol|EINECS 239-333-3|EPA Pesticide Chemical Code 103001|N,N-Diethyl-2-(1-naphthalenyloxy)propanamide|N,N-Diethyl-2-(1-naphthalenyloxy)propionamide|N,N-Diethyl-2-(1-naphthyloxy)propanamide|Napropamid|napropamida|Propanamide, N,N-diethyl-2-(1-naphthalenyloxy)-|Propionamide, N,N-diethyl-2-(1-naphthyloxy)-|Racemic devrinol|154799-64-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024211
ARPathway2016 ARPathway2016_81 Napropamide 15299-99-7 DTXSID5024211 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCN(CC)C(=O)C(C)OC1=C2C=CC=CC2=CC=C1 Napropamide 15299-99-7|Napropamide|(.+-.)-Devrinol|2-(1-Naphthoxy)-N,N-diethylpropionamide|2-(alpha-Naphthoxy)-N,N-diaethyl-propionsaeureamid|2-(alpha-Naphthoxy)-N,N-diethylpropionamide|2-(a-Naphthoxy)-N,N-diethylpropionamide|BRN 2217870|Caswell No. 590A|Devrinol|EINECS 239-333-3|EPA Pesticide Chemical Code 103001|N,N-Diethyl-2-(1-naphthalenyloxy)propanamide|N,N-Diethyl-2-(1-naphthalenyloxy)propionamide|N,N-Diethyl-2-(1-naphthyloxy)propanamide|Napropamid|napropamida|Propanamide, N,N-diethyl-2-(1-naphthalenyloxy)-|Propionamide, N,N-diethyl-2-(1-naphthyloxy)-|Racemic devrinol|154799-64-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024211
ERPathway2016 ERPathway2016_689 Napropamide 15299-99-7 DTXSID5024211 R6 ER Pathway Model, Agonist Model Score 0 Unitless CCN(CC)C(=O)C(C)OC1=C2C=CC=CC2=CC=C1 Napropamide 15299-99-7|Napropamide|(.+-.)-Devrinol|2-(1-Naphthoxy)-N,N-diethylpropionamide|2-(alpha-Naphthoxy)-N,N-diaethyl-propionsaeureamid|2-(alpha-Naphthoxy)-N,N-diethylpropionamide|2-(a-Naphthoxy)-N,N-diethylpropionamide|BRN 2217870|Caswell No. 590A|Devrinol|EINECS 239-333-3|EPA Pesticide Chemical Code 103001|N,N-Diethyl-2-(1-naphthalenyloxy)propanamide|N,N-Diethyl-2-(1-naphthalenyloxy)propionamide|N,N-Diethyl-2-(1-naphthyloxy)propanamide|Napropamid|napropamida|Propanamide, N,N-diethyl-2-(1-naphthalenyloxy)-|Propionamide, N,N-diethyl-2-(1-naphthyloxy)-|Racemic devrinol|154799-64-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024211
ERPathway2016 ERPathway2016_689 Napropamide 15299-99-7 DTXSID5024211 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CCN(CC)C(=O)C(C)OC1=C2C=CC=CC2=CC=C1 Napropamide 15299-99-7|Napropamide|(.+-.)-Devrinol|2-(1-Naphthoxy)-N,N-diethylpropionamide|2-(alpha-Naphthoxy)-N,N-diaethyl-propionsaeureamid|2-(alpha-Naphthoxy)-N,N-diethylpropionamide|2-(a-Naphthoxy)-N,N-diethylpropionamide|BRN 2217870|Caswell No. 590A|Devrinol|EINECS 239-333-3|EPA Pesticide Chemical Code 103001|N,N-Diethyl-2-(1-naphthalenyloxy)propanamide|N,N-Diethyl-2-(1-naphthalenyloxy)propionamide|N,N-Diethyl-2-(1-naphthyloxy)propanamide|Napropamid|napropamida|Propanamide, N,N-diethyl-2-(1-naphthalenyloxy)-|Propionamide, N,N-diethyl-2-(1-naphthyloxy)-|Racemic devrinol|154799-64-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024211
ERPathway2016 ERPathway2016_689 Napropamide 15299-99-7 DTXSID5024211 R6 ER Pathway Model, Agonist Call Inactive Unitless CCN(CC)C(=O)C(C)OC1=C2C=CC=CC2=CC=C1 Napropamide 15299-99-7|Napropamide|(.+-.)-Devrinol|2-(1-Naphthoxy)-N,N-diethylpropionamide|2-(alpha-Naphthoxy)-N,N-diaethyl-propionsaeureamid|2-(alpha-Naphthoxy)-N,N-diethylpropionamide|2-(a-Naphthoxy)-N,N-diethylpropionamide|BRN 2217870|Caswell No. 590A|Devrinol|EINECS 239-333-3|EPA Pesticide Chemical Code 103001|N,N-Diethyl-2-(1-naphthalenyloxy)propanamide|N,N-Diethyl-2-(1-naphthalenyloxy)propionamide|N,N-Diethyl-2-(1-naphthyloxy)propanamide|Napropamid|napropamida|Propanamide, N,N-diethyl-2-(1-naphthalenyloxy)-|Propionamide, N,N-diethyl-2-(1-naphthyloxy)-|Racemic devrinol|154799-64-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024211
ERPathway2016 ERPathway2016_689 Napropamide 15299-99-7 DTXSID5024211 R6 ER Pathway Model, Antagonist Call Inactive Unitless CCN(CC)C(=O)C(C)OC1=C2C=CC=CC2=CC=C1 Napropamide 15299-99-7|Napropamide|(.+-.)-Devrinol|2-(1-Naphthoxy)-N,N-diethylpropionamide|2-(alpha-Naphthoxy)-N,N-diaethyl-propionsaeureamid|2-(alpha-Naphthoxy)-N,N-diethylpropionamide|2-(a-Naphthoxy)-N,N-diethylpropionamide|BRN 2217870|Caswell No. 590A|Devrinol|EINECS 239-333-3|EPA Pesticide Chemical Code 103001|N,N-Diethyl-2-(1-naphthalenyloxy)propanamide|N,N-Diethyl-2-(1-naphthalenyloxy)propionamide|N,N-Diethyl-2-(1-naphthyloxy)propanamide|Napropamid|napropamida|Propanamide, N,N-diethyl-2-(1-naphthalenyloxy)-|Propionamide, N,N-diethyl-2-(1-naphthyloxy)-|Racemic devrinol|154799-64-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024211
ARPathway2016 ARPathway2016_688 N-Benzyl-1H-purin-6-amine 1214-39-7 DTXSID7032630 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C(NC1=C2N=CN=C2N=CN1)C1=CC=CC=C1 N-Benzyl-1H-purin-6-amine 1214-39-7|N-Benzyl-1H-purin-6-amine|1H-Purin-6-amine, N-(phenylmethyl)-|214-927-5|6-(Benzylamino)-purine|6-(Benzylamino)purine|6-(N-Benzylamino)purine|6-[(phenylmethyl)amino]-9H-purine|6-BA|6-BAP|6-Benzyl adenine|6-Benzyladenine|6-Benzylaminoadenine|9H-Purin-6-amine, N-(phenylmethyl)-|ABG 3034|ADENINE, 6-BENZYL-|Adenine, N-benzyl-|Adenine, N(sup 6)-benzyl-|Adenine, N6-benzyl-|BA|BA (growth stimulant)|BAP|BAP (growth stimulant)|bencil(purin-6-il)amina|Benzyl(purin-6-yl)amin|Benzyl(purin-6-yl)amine|benzyl(purine-6-yl)amine|Benzyladenine|Benzylaminopurine|Bongrow|Caswell No. 081EE|CTP|CyLex|Cytokinin 6BA|Cytokinin B|EC No.: 214-927-5|EINECS 214-927-5|MaxCel|N-(Phenylmethyl)-1H-purin-6-amine|N-(Phenylmethyl)-9H-purin-6-amine|N-Benzyladenine|N(6)-(benzylamino)purine|N(6)-Benzylaminopurine|N(sup 6)-(Benzylamino)purine|N(sup 6)-Benzyladenine|N6-(Benzylamino)purine|N6-Benzyladenine|N6-Benzylaminopurine|NSC 40818|P.C. Code 116901|Paturyl|Paturyl 10WSC|PC Code 116901|Pro-Shear|SD 4901|SQ 4609|TOG-L 101|UNII-KXG6A989PS|Verdan senescence inhibitor|124786-41-0|3458-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032630
ARPathway2016 ARPathway2016_688 N-Benzyl-1H-purin-6-amine 1214-39-7 DTXSID7032630 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C(NC1=C2N=CN=C2N=CN1)C1=CC=CC=C1 N-Benzyl-1H-purin-6-amine 1214-39-7|N-Benzyl-1H-purin-6-amine|1H-Purin-6-amine, N-(phenylmethyl)-|214-927-5|6-(Benzylamino)-purine|6-(Benzylamino)purine|6-(N-Benzylamino)purine|6-[(phenylmethyl)amino]-9H-purine|6-BA|6-BAP|6-Benzyl adenine|6-Benzyladenine|6-Benzylaminoadenine|9H-Purin-6-amine, N-(phenylmethyl)-|ABG 3034|ADENINE, 6-BENZYL-|Adenine, N-benzyl-|Adenine, N(sup 6)-benzyl-|Adenine, N6-benzyl-|BA|BA (growth stimulant)|BAP|BAP (growth stimulant)|bencil(purin-6-il)amina|Benzyl(purin-6-yl)amin|Benzyl(purin-6-yl)amine|benzyl(purine-6-yl)amine|Benzyladenine|Benzylaminopurine|Bongrow|Caswell No. 081EE|CTP|CyLex|Cytokinin 6BA|Cytokinin B|EC No.: 214-927-5|EINECS 214-927-5|MaxCel|N-(Phenylmethyl)-1H-purin-6-amine|N-(Phenylmethyl)-9H-purin-6-amine|N-Benzyladenine|N(6)-(benzylamino)purine|N(6)-Benzylaminopurine|N(sup 6)-(Benzylamino)purine|N(sup 6)-Benzyladenine|N6-(Benzylamino)purine|N6-Benzyladenine|N6-Benzylaminopurine|NSC 40818|P.C. Code 116901|Paturyl|Paturyl 10WSC|PC Code 116901|Pro-Shear|SD 4901|SQ 4609|TOG-L 101|UNII-KXG6A989PS|Verdan senescence inhibitor|124786-41-0|3458-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032630
ARPathway2016 ARPathway2016_688 N-Benzyl-1H-purin-6-amine 1214-39-7 DTXSID7032630 0.0 AR Pathway Model, Agonist Call Inactive Unitless C(NC1=C2N=CN=C2N=CN1)C1=CC=CC=C1 N-Benzyl-1H-purin-6-amine 1214-39-7|N-Benzyl-1H-purin-6-amine|1H-Purin-6-amine, N-(phenylmethyl)-|214-927-5|6-(Benzylamino)-purine|6-(Benzylamino)purine|6-(N-Benzylamino)purine|6-[(phenylmethyl)amino]-9H-purine|6-BA|6-BAP|6-Benzyl adenine|6-Benzyladenine|6-Benzylaminoadenine|9H-Purin-6-amine, N-(phenylmethyl)-|ABG 3034|ADENINE, 6-BENZYL-|Adenine, N-benzyl-|Adenine, N(sup 6)-benzyl-|Adenine, N6-benzyl-|BA|BA (growth stimulant)|BAP|BAP (growth stimulant)|bencil(purin-6-il)amina|Benzyl(purin-6-yl)amin|Benzyl(purin-6-yl)amine|benzyl(purine-6-yl)amine|Benzyladenine|Benzylaminopurine|Bongrow|Caswell No. 081EE|CTP|CyLex|Cytokinin 6BA|Cytokinin B|EC No.: 214-927-5|EINECS 214-927-5|MaxCel|N-(Phenylmethyl)-1H-purin-6-amine|N-(Phenylmethyl)-9H-purin-6-amine|N-Benzyladenine|N(6)-(benzylamino)purine|N(6)-Benzylaminopurine|N(sup 6)-(Benzylamino)purine|N(sup 6)-Benzyladenine|N6-(Benzylamino)purine|N6-Benzyladenine|N6-Benzylaminopurine|NSC 40818|P.C. Code 116901|Paturyl|Paturyl 10WSC|PC Code 116901|Pro-Shear|SD 4901|SQ 4609|TOG-L 101|UNII-KXG6A989PS|Verdan senescence inhibitor|124786-41-0|3458-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032630
ARPathway2016 ARPathway2016_688 N-Benzyl-1H-purin-6-amine 1214-39-7 DTXSID7032630 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C(NC1=C2N=CN=C2N=CN1)C1=CC=CC=C1 N-Benzyl-1H-purin-6-amine 1214-39-7|N-Benzyl-1H-purin-6-amine|1H-Purin-6-amine, N-(phenylmethyl)-|214-927-5|6-(Benzylamino)-purine|6-(Benzylamino)purine|6-(N-Benzylamino)purine|6-[(phenylmethyl)amino]-9H-purine|6-BA|6-BAP|6-Benzyl adenine|6-Benzyladenine|6-Benzylaminoadenine|9H-Purin-6-amine, N-(phenylmethyl)-|ABG 3034|ADENINE, 6-BENZYL-|Adenine, N-benzyl-|Adenine, N(sup 6)-benzyl-|Adenine, N6-benzyl-|BA|BA (growth stimulant)|BAP|BAP (growth stimulant)|bencil(purin-6-il)amina|Benzyl(purin-6-yl)amin|Benzyl(purin-6-yl)amine|benzyl(purine-6-yl)amine|Benzyladenine|Benzylaminopurine|Bongrow|Caswell No. 081EE|CTP|CyLex|Cytokinin 6BA|Cytokinin B|EC No.: 214-927-5|EINECS 214-927-5|MaxCel|N-(Phenylmethyl)-1H-purin-6-amine|N-(Phenylmethyl)-9H-purin-6-amine|N-Benzyladenine|N(6)-(benzylamino)purine|N(6)-Benzylaminopurine|N(sup 6)-(Benzylamino)purine|N(sup 6)-Benzyladenine|N6-(Benzylamino)purine|N6-Benzyladenine|N6-Benzylaminopurine|NSC 40818|P.C. Code 116901|Paturyl|Paturyl 10WSC|PC Code 116901|Pro-Shear|SD 4901|SQ 4609|TOG-L 101|UNII-KXG6A989PS|Verdan senescence inhibitor|124786-41-0|3458-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032630
ERPathway2016 ERPathway2016_1217 N-Benzyl-1H-purin-6-amine 1214-39-7 DTXSID7032630 ER Pathway Model, Agonist Model Score 0 Unitless C(NC1=C2N=CN=C2N=CN1)C1=CC=CC=C1 N-Benzyl-1H-purin-6-amine 1214-39-7|N-Benzyl-1H-purin-6-amine|1H-Purin-6-amine, N-(phenylmethyl)-|214-927-5|6-(Benzylamino)-purine|6-(Benzylamino)purine|6-(N-Benzylamino)purine|6-[(phenylmethyl)amino]-9H-purine|6-BA|6-BAP|6-Benzyl adenine|6-Benzyladenine|6-Benzylaminoadenine|9H-Purin-6-amine, N-(phenylmethyl)-|ABG 3034|ADENINE, 6-BENZYL-|Adenine, N-benzyl-|Adenine, N(sup 6)-benzyl-|Adenine, N6-benzyl-|BA|BA (growth stimulant)|BAP|BAP (growth stimulant)|bencil(purin-6-il)amina|Benzyl(purin-6-yl)amin|Benzyl(purin-6-yl)amine|benzyl(purine-6-yl)amine|Benzyladenine|Benzylaminopurine|Bongrow|Caswell No. 081EE|CTP|CyLex|Cytokinin 6BA|Cytokinin B|EC No.: 214-927-5|EINECS 214-927-5|MaxCel|N-(Phenylmethyl)-1H-purin-6-amine|N-(Phenylmethyl)-9H-purin-6-amine|N-Benzyladenine|N(6)-(benzylamino)purine|N(6)-Benzylaminopurine|N(sup 6)-(Benzylamino)purine|N(sup 6)-Benzyladenine|N6-(Benzylamino)purine|N6-Benzyladenine|N6-Benzylaminopurine|NSC 40818|P.C. Code 116901|Paturyl|Paturyl 10WSC|PC Code 116901|Pro-Shear|SD 4901|SQ 4609|TOG-L 101|UNII-KXG6A989PS|Verdan senescence inhibitor|124786-41-0|3458-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032630
ERPathway2016 ERPathway2016_1217 N-Benzyl-1H-purin-6-amine 1214-39-7 DTXSID7032630 ER Pathway Model, Antagonist Model Score 0 Unitless C(NC1=C2N=CN=C2N=CN1)C1=CC=CC=C1 N-Benzyl-1H-purin-6-amine 1214-39-7|N-Benzyl-1H-purin-6-amine|1H-Purin-6-amine, N-(phenylmethyl)-|214-927-5|6-(Benzylamino)-purine|6-(Benzylamino)purine|6-(N-Benzylamino)purine|6-[(phenylmethyl)amino]-9H-purine|6-BA|6-BAP|6-Benzyl adenine|6-Benzyladenine|6-Benzylaminoadenine|9H-Purin-6-amine, N-(phenylmethyl)-|ABG 3034|ADENINE, 6-BENZYL-|Adenine, N-benzyl-|Adenine, N(sup 6)-benzyl-|Adenine, N6-benzyl-|BA|BA (growth stimulant)|BAP|BAP (growth stimulant)|bencil(purin-6-il)amina|Benzyl(purin-6-yl)amin|Benzyl(purin-6-yl)amine|benzyl(purine-6-yl)amine|Benzyladenine|Benzylaminopurine|Bongrow|Caswell No. 081EE|CTP|CyLex|Cytokinin 6BA|Cytokinin B|EC No.: 214-927-5|EINECS 214-927-5|MaxCel|N-(Phenylmethyl)-1H-purin-6-amine|N-(Phenylmethyl)-9H-purin-6-amine|N-Benzyladenine|N(6)-(benzylamino)purine|N(6)-Benzylaminopurine|N(sup 6)-(Benzylamino)purine|N(sup 6)-Benzyladenine|N6-(Benzylamino)purine|N6-Benzyladenine|N6-Benzylaminopurine|NSC 40818|P.C. Code 116901|Paturyl|Paturyl 10WSC|PC Code 116901|Pro-Shear|SD 4901|SQ 4609|TOG-L 101|UNII-KXG6A989PS|Verdan senescence inhibitor|124786-41-0|3458-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032630
ERPathway2016 ERPathway2016_1217 N-Benzyl-1H-purin-6-amine 1214-39-7 DTXSID7032630 ER Pathway Model, Agonist Call Inactive Unitless C(NC1=C2N=CN=C2N=CN1)C1=CC=CC=C1 N-Benzyl-1H-purin-6-amine 1214-39-7|N-Benzyl-1H-purin-6-amine|1H-Purin-6-amine, N-(phenylmethyl)-|214-927-5|6-(Benzylamino)-purine|6-(Benzylamino)purine|6-(N-Benzylamino)purine|6-[(phenylmethyl)amino]-9H-purine|6-BA|6-BAP|6-Benzyl adenine|6-Benzyladenine|6-Benzylaminoadenine|9H-Purin-6-amine, N-(phenylmethyl)-|ABG 3034|ADENINE, 6-BENZYL-|Adenine, N-benzyl-|Adenine, N(sup 6)-benzyl-|Adenine, N6-benzyl-|BA|BA (growth stimulant)|BAP|BAP (growth stimulant)|bencil(purin-6-il)amina|Benzyl(purin-6-yl)amin|Benzyl(purin-6-yl)amine|benzyl(purine-6-yl)amine|Benzyladenine|Benzylaminopurine|Bongrow|Caswell No. 081EE|CTP|CyLex|Cytokinin 6BA|Cytokinin B|EC No.: 214-927-5|EINECS 214-927-5|MaxCel|N-(Phenylmethyl)-1H-purin-6-amine|N-(Phenylmethyl)-9H-purin-6-amine|N-Benzyladenine|N(6)-(benzylamino)purine|N(6)-Benzylaminopurine|N(sup 6)-(Benzylamino)purine|N(sup 6)-Benzyladenine|N6-(Benzylamino)purine|N6-Benzyladenine|N6-Benzylaminopurine|NSC 40818|P.C. Code 116901|Paturyl|Paturyl 10WSC|PC Code 116901|Pro-Shear|SD 4901|SQ 4609|TOG-L 101|UNII-KXG6A989PS|Verdan senescence inhibitor|124786-41-0|3458-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032630
ERPathway2016 ERPathway2016_1217 N-Benzyl-1H-purin-6-amine 1214-39-7 DTXSID7032630 ER Pathway Model, Antagonist Call Inactive Unitless C(NC1=C2N=CN=C2N=CN1)C1=CC=CC=C1 N-Benzyl-1H-purin-6-amine 1214-39-7|N-Benzyl-1H-purin-6-amine|1H-Purin-6-amine, N-(phenylmethyl)-|214-927-5|6-(Benzylamino)-purine|6-(Benzylamino)purine|6-(N-Benzylamino)purine|6-[(phenylmethyl)amino]-9H-purine|6-BA|6-BAP|6-Benzyl adenine|6-Benzyladenine|6-Benzylaminoadenine|9H-Purin-6-amine, N-(phenylmethyl)-|ABG 3034|ADENINE, 6-BENZYL-|Adenine, N-benzyl-|Adenine, N(sup 6)-benzyl-|Adenine, N6-benzyl-|BA|BA (growth stimulant)|BAP|BAP (growth stimulant)|bencil(purin-6-il)amina|Benzyl(purin-6-yl)amin|Benzyl(purin-6-yl)amine|benzyl(purine-6-yl)amine|Benzyladenine|Benzylaminopurine|Bongrow|Caswell No. 081EE|CTP|CyLex|Cytokinin 6BA|Cytokinin B|EC No.: 214-927-5|EINECS 214-927-5|MaxCel|N-(Phenylmethyl)-1H-purin-6-amine|N-(Phenylmethyl)-9H-purin-6-amine|N-Benzyladenine|N(6)-(benzylamino)purine|N(6)-Benzylaminopurine|N(sup 6)-(Benzylamino)purine|N(sup 6)-Benzyladenine|N6-(Benzylamino)purine|N6-Benzyladenine|N6-Benzylaminopurine|NSC 40818|P.C. Code 116901|Paturyl|Paturyl 10WSC|PC Code 116901|Pro-Shear|SD 4901|SQ 4609|TOG-L 101|UNII-KXG6A989PS|Verdan senescence inhibitor|124786-41-0|3458-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032630
ARPathway2016 ARPathway2016_1168 N-Butylbenzenesulfonamide 3622-84-2 DTXSID7027540 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCNS(=O)(=O)C1=CC=CC=C1 N-Butylbenzenesulfonamide 3622-84-2|N-Butylbenzenesulfonamide|4-11-00-00051|Benzenesulfonamide, N-butyl-|Benzenesulfonic acid butyl amide|BRN 2725965|Cetamoll BMB|Dellatol BBS|EINECS 222-823-6|N-(n-Butyl)benzenesulfonamide|N-Butylbenzene sulfonamide|NSC 3536|Plasthall BSA|Plastomoll BMB|UNII-YO7UAW6717|Uniplex 214|1028684-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027540 https://doi.org/10.22427/NTP-DATA-DTXSID7027540
ARPathway2016 ARPathway2016_1168 N-Butylbenzenesulfonamide 3622-84-2 DTXSID7027540 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCNS(=O)(=O)C1=CC=CC=C1 N-Butylbenzenesulfonamide 3622-84-2|N-Butylbenzenesulfonamide|4-11-00-00051|Benzenesulfonamide, N-butyl-|Benzenesulfonic acid butyl amide|BRN 2725965|Cetamoll BMB|Dellatol BBS|EINECS 222-823-6|N-(n-Butyl)benzenesulfonamide|N-Butylbenzene sulfonamide|NSC 3536|Plasthall BSA|Plastomoll BMB|UNII-YO7UAW6717|Uniplex 214|1028684-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027540 https://doi.org/10.22427/NTP-DATA-DTXSID7027540
ARPathway2016 ARPathway2016_1168 N-Butylbenzenesulfonamide 3622-84-2 DTXSID7027540 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCNS(=O)(=O)C1=CC=CC=C1 N-Butylbenzenesulfonamide 3622-84-2|N-Butylbenzenesulfonamide|4-11-00-00051|Benzenesulfonamide, N-butyl-|Benzenesulfonic acid butyl amide|BRN 2725965|Cetamoll BMB|Dellatol BBS|EINECS 222-823-6|N-(n-Butyl)benzenesulfonamide|N-Butylbenzene sulfonamide|NSC 3536|Plasthall BSA|Plastomoll BMB|UNII-YO7UAW6717|Uniplex 214|1028684-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027540 https://doi.org/10.22427/NTP-DATA-DTXSID7027540
ARPathway2016 ARPathway2016_1168 N-Butylbenzenesulfonamide 3622-84-2 DTXSID7027540 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCNS(=O)(=O)C1=CC=CC=C1 N-Butylbenzenesulfonamide 3622-84-2|N-Butylbenzenesulfonamide|4-11-00-00051|Benzenesulfonamide, N-butyl-|Benzenesulfonic acid butyl amide|BRN 2725965|Cetamoll BMB|Dellatol BBS|EINECS 222-823-6|N-(n-Butyl)benzenesulfonamide|N-Butylbenzene sulfonamide|NSC 3536|Plasthall BSA|Plastomoll BMB|UNII-YO7UAW6717|Uniplex 214|1028684-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027540 https://doi.org/10.22427/NTP-DATA-DTXSID7027540
ERPathway2016 ERPathway2016_1466 N-Butylbenzenesulfonamide 3622-84-2 DTXSID7027540 ER Pathway Model, Agonist Model Score 0 Unitless CCCCNS(=O)(=O)C1=CC=CC=C1 N-Butylbenzenesulfonamide 3622-84-2|N-Butylbenzenesulfonamide|4-11-00-00051|Benzenesulfonamide, N-butyl-|Benzenesulfonic acid butyl amide|BRN 2725965|Cetamoll BMB|Dellatol BBS|EINECS 222-823-6|N-(n-Butyl)benzenesulfonamide|N-Butylbenzene sulfonamide|NSC 3536|Plasthall BSA|Plastomoll BMB|UNII-YO7UAW6717|Uniplex 214|1028684-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027540 https://doi.org/10.22427/NTP-DATA-DTXSID7027540
ERPathway2016 ERPathway2016_1466 N-Butylbenzenesulfonamide 3622-84-2 DTXSID7027540 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCNS(=O)(=O)C1=CC=CC=C1 N-Butylbenzenesulfonamide 3622-84-2|N-Butylbenzenesulfonamide|4-11-00-00051|Benzenesulfonamide, N-butyl-|Benzenesulfonic acid butyl amide|BRN 2725965|Cetamoll BMB|Dellatol BBS|EINECS 222-823-6|N-(n-Butyl)benzenesulfonamide|N-Butylbenzene sulfonamide|NSC 3536|Plasthall BSA|Plastomoll BMB|UNII-YO7UAW6717|Uniplex 214|1028684-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027540 https://doi.org/10.22427/NTP-DATA-DTXSID7027540
ERPathway2016 ERPathway2016_1466 N-Butylbenzenesulfonamide 3622-84-2 DTXSID7027540 ER Pathway Model, Agonist Call Inactive Unitless CCCCNS(=O)(=O)C1=CC=CC=C1 N-Butylbenzenesulfonamide 3622-84-2|N-Butylbenzenesulfonamide|4-11-00-00051|Benzenesulfonamide, N-butyl-|Benzenesulfonic acid butyl amide|BRN 2725965|Cetamoll BMB|Dellatol BBS|EINECS 222-823-6|N-(n-Butyl)benzenesulfonamide|N-Butylbenzene sulfonamide|NSC 3536|Plasthall BSA|Plastomoll BMB|UNII-YO7UAW6717|Uniplex 214|1028684-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027540 https://doi.org/10.22427/NTP-DATA-DTXSID7027540
ERPathway2016 ERPathway2016_1466 N-Butylbenzenesulfonamide 3622-84-2 DTXSID7027540 ER Pathway Model, Antagonist Call Inactive Unitless CCCCNS(=O)(=O)C1=CC=CC=C1 N-Butylbenzenesulfonamide 3622-84-2|N-Butylbenzenesulfonamide|4-11-00-00051|Benzenesulfonamide, N-butyl-|Benzenesulfonic acid butyl amide|BRN 2725965|Cetamoll BMB|Dellatol BBS|EINECS 222-823-6|N-(n-Butyl)benzenesulfonamide|N-Butylbenzene sulfonamide|NSC 3536|Plasthall BSA|Plastomoll BMB|UNII-YO7UAW6717|Uniplex 214|1028684-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027540 https://doi.org/10.22427/NTP-DATA-DTXSID7027540
ARPathway2016 ARPathway2016_959 N-Butyl-p-toluenesulfonamide 1907-65-9 DTXSID7042198 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCNS(=O)(=O)C1=CC=C(C)C=C1 N-Butyl-p-toluenesulfonamide 1907-65-9|N-Butyl-p-toluenesulfonamide|EINECS 217-612-0|N-Tosylbutylamine|NSC 2180 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042198
ARPathway2016 ARPathway2016_959 N-Butyl-p-toluenesulfonamide 1907-65-9 DTXSID7042198 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCNS(=O)(=O)C1=CC=C(C)C=C1 N-Butyl-p-toluenesulfonamide 1907-65-9|N-Butyl-p-toluenesulfonamide|EINECS 217-612-0|N-Tosylbutylamine|NSC 2180 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042198
ARPathway2016 ARPathway2016_959 N-Butyl-p-toluenesulfonamide 1907-65-9 DTXSID7042198 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCNS(=O)(=O)C1=CC=C(C)C=C1 N-Butyl-p-toluenesulfonamide 1907-65-9|N-Butyl-p-toluenesulfonamide|EINECS 217-612-0|N-Tosylbutylamine|NSC 2180 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042198
ARPathway2016 ARPathway2016_959 N-Butyl-p-toluenesulfonamide 1907-65-9 DTXSID7042198 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCNS(=O)(=O)C1=CC=C(C)C=C1 N-Butyl-p-toluenesulfonamide 1907-65-9|N-Butyl-p-toluenesulfonamide|EINECS 217-612-0|N-Tosylbutylamine|NSC 2180 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042198
ERPathway2016 ERPathway2016_1359 N-Butyl-p-toluenesulfonamide 1907-65-9 DTXSID7042198 ER Pathway Model, Agonist Model Score 0 Unitless CCCCNS(=O)(=O)C1=CC=C(C)C=C1 N-Butyl-p-toluenesulfonamide 1907-65-9|N-Butyl-p-toluenesulfonamide|EINECS 217-612-0|N-Tosylbutylamine|NSC 2180 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042198
ERPathway2016 ERPathway2016_1359 N-Butyl-p-toluenesulfonamide 1907-65-9 DTXSID7042198 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCNS(=O)(=O)C1=CC=C(C)C=C1 N-Butyl-p-toluenesulfonamide 1907-65-9|N-Butyl-p-toluenesulfonamide|EINECS 217-612-0|N-Tosylbutylamine|NSC 2180 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042198
ERPathway2016 ERPathway2016_1359 N-Butyl-p-toluenesulfonamide 1907-65-9 DTXSID7042198 ER Pathway Model, Agonist Call Inactive Unitless CCCCNS(=O)(=O)C1=CC=C(C)C=C1 N-Butyl-p-toluenesulfonamide 1907-65-9|N-Butyl-p-toluenesulfonamide|EINECS 217-612-0|N-Tosylbutylamine|NSC 2180 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042198
ERPathway2016 ERPathway2016_1359 N-Butyl-p-toluenesulfonamide 1907-65-9 DTXSID7042198 ER Pathway Model, Antagonist Call Inactive Unitless CCCCNS(=O)(=O)C1=CC=C(C)C=C1 N-Butyl-p-toluenesulfonamide 1907-65-9|N-Butyl-p-toluenesulfonamide|EINECS 217-612-0|N-Tosylbutylamine|NSC 2180 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042198
ARPathway2016 ARPathway2016_1791 N-Dodecanoyl-N-methylglycine 97-78-9 DTXSID7042011 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCC(=O)N(C)CC(O)=O N-Dodecanoyl-N-methylglycine 97-78-9|N-Dodecanoyl-N-methylglycine|Crodasinic L|EINECS 202-608-3|Glycine, N-methyl-N-(1-oxododecyl)-|Hamposyl L|LAUROYL SARCOSINE|Lauroylsarcosinate|Lauroylsarcosine|Maprosyl L|N-Dodecanoylsarcosinate|N-Dodecanoylsarcosine|N-lauroilsarcosina|N-Lauroyl sarcosinate|N-Lauroyl-N-methylaminoacetic acid|N-Lauroyl-N-methylglycine|N-Lauroylsarcosine|N-Lauroylsarkosin|N-Laurylsarcosine|N-Methyl-N-(1-oxododecyl)glycine|Nikkol Sarcosinate LH|NSC 96994|Sarcosinate LH|Sarcosine, N-lauroyl-|Sarcosyl L|Sarkosyl L|UNII-LIJ19P3L6F|15535-18-9|58392-41-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042011
ARPathway2016 ARPathway2016_1791 N-Dodecanoyl-N-methylglycine 97-78-9 DTXSID7042011 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCC(=O)N(C)CC(O)=O N-Dodecanoyl-N-methylglycine 97-78-9|N-Dodecanoyl-N-methylglycine|Crodasinic L|EINECS 202-608-3|Glycine, N-methyl-N-(1-oxododecyl)-|Hamposyl L|LAUROYL SARCOSINE|Lauroylsarcosinate|Lauroylsarcosine|Maprosyl L|N-Dodecanoylsarcosinate|N-Dodecanoylsarcosine|N-lauroilsarcosina|N-Lauroyl sarcosinate|N-Lauroyl-N-methylaminoacetic acid|N-Lauroyl-N-methylglycine|N-Lauroylsarcosine|N-Lauroylsarkosin|N-Laurylsarcosine|N-Methyl-N-(1-oxododecyl)glycine|Nikkol Sarcosinate LH|NSC 96994|Sarcosinate LH|Sarcosine, N-lauroyl-|Sarcosyl L|Sarkosyl L|UNII-LIJ19P3L6F|15535-18-9|58392-41-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042011
ARPathway2016 ARPathway2016_1791 N-Dodecanoyl-N-methylglycine 97-78-9 DTXSID7042011 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCC(=O)N(C)CC(O)=O N-Dodecanoyl-N-methylglycine 97-78-9|N-Dodecanoyl-N-methylglycine|Crodasinic L|EINECS 202-608-3|Glycine, N-methyl-N-(1-oxododecyl)-|Hamposyl L|LAUROYL SARCOSINE|Lauroylsarcosinate|Lauroylsarcosine|Maprosyl L|N-Dodecanoylsarcosinate|N-Dodecanoylsarcosine|N-lauroilsarcosina|N-Lauroyl sarcosinate|N-Lauroyl-N-methylaminoacetic acid|N-Lauroyl-N-methylglycine|N-Lauroylsarcosine|N-Lauroylsarkosin|N-Laurylsarcosine|N-Methyl-N-(1-oxododecyl)glycine|Nikkol Sarcosinate LH|NSC 96994|Sarcosinate LH|Sarcosine, N-lauroyl-|Sarcosyl L|Sarkosyl L|UNII-LIJ19P3L6F|15535-18-9|58392-41-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042011
ARPathway2016 ARPathway2016_1791 N-Dodecanoyl-N-methylglycine 97-78-9 DTXSID7042011 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCC(=O)N(C)CC(O)=O N-Dodecanoyl-N-methylglycine 97-78-9|N-Dodecanoyl-N-methylglycine|Crodasinic L|EINECS 202-608-3|Glycine, N-methyl-N-(1-oxododecyl)-|Hamposyl L|LAUROYL SARCOSINE|Lauroylsarcosinate|Lauroylsarcosine|Maprosyl L|N-Dodecanoylsarcosinate|N-Dodecanoylsarcosine|N-lauroilsarcosina|N-Lauroyl sarcosinate|N-Lauroyl-N-methylaminoacetic acid|N-Lauroyl-N-methylglycine|N-Lauroylsarcosine|N-Lauroylsarkosin|N-Laurylsarcosine|N-Methyl-N-(1-oxododecyl)glycine|Nikkol Sarcosinate LH|NSC 96994|Sarcosinate LH|Sarcosine, N-lauroyl-|Sarcosyl L|Sarkosyl L|UNII-LIJ19P3L6F|15535-18-9|58392-41-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042011
ERPathway2016 ERPathway2016_639 N-Dodecanoyl-N-methylglycine 97-78-9 DTXSID7042011 A13 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCC(=O)N(C)CC(O)=O N-Dodecanoyl-N-methylglycine 97-78-9|N-Dodecanoyl-N-methylglycine|Crodasinic L|EINECS 202-608-3|Glycine, N-methyl-N-(1-oxododecyl)-|Hamposyl L|LAUROYL SARCOSINE|Lauroylsarcosinate|Lauroylsarcosine|Maprosyl L|N-Dodecanoylsarcosinate|N-Dodecanoylsarcosine|N-lauroilsarcosina|N-Lauroyl sarcosinate|N-Lauroyl-N-methylaminoacetic acid|N-Lauroyl-N-methylglycine|N-Lauroylsarcosine|N-Lauroylsarkosin|N-Laurylsarcosine|N-Methyl-N-(1-oxododecyl)glycine|Nikkol Sarcosinate LH|NSC 96994|Sarcosinate LH|Sarcosine, N-lauroyl-|Sarcosyl L|Sarkosyl L|UNII-LIJ19P3L6F|15535-18-9|58392-41-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042011
ERPathway2016 ERPathway2016_639 N-Dodecanoyl-N-methylglycine 97-78-9 DTXSID7042011 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCC(=O)N(C)CC(O)=O N-Dodecanoyl-N-methylglycine 97-78-9|N-Dodecanoyl-N-methylglycine|Crodasinic L|EINECS 202-608-3|Glycine, N-methyl-N-(1-oxododecyl)-|Hamposyl L|LAUROYL SARCOSINE|Lauroylsarcosinate|Lauroylsarcosine|Maprosyl L|N-Dodecanoylsarcosinate|N-Dodecanoylsarcosine|N-lauroilsarcosina|N-Lauroyl sarcosinate|N-Lauroyl-N-methylaminoacetic acid|N-Lauroyl-N-methylglycine|N-Lauroylsarcosine|N-Lauroylsarkosin|N-Laurylsarcosine|N-Methyl-N-(1-oxododecyl)glycine|Nikkol Sarcosinate LH|NSC 96994|Sarcosinate LH|Sarcosine, N-lauroyl-|Sarcosyl L|Sarkosyl L|UNII-LIJ19P3L6F|15535-18-9|58392-41-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042011
ERPathway2016 ERPathway2016_639 N-Dodecanoyl-N-methylglycine 97-78-9 DTXSID7042011 A13 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCC(=O)N(C)CC(O)=O N-Dodecanoyl-N-methylglycine 97-78-9|N-Dodecanoyl-N-methylglycine|Crodasinic L|EINECS 202-608-3|Glycine, N-methyl-N-(1-oxododecyl)-|Hamposyl L|LAUROYL SARCOSINE|Lauroylsarcosinate|Lauroylsarcosine|Maprosyl L|N-Dodecanoylsarcosinate|N-Dodecanoylsarcosine|N-lauroilsarcosina|N-Lauroyl sarcosinate|N-Lauroyl-N-methylaminoacetic acid|N-Lauroyl-N-methylglycine|N-Lauroylsarcosine|N-Lauroylsarkosin|N-Laurylsarcosine|N-Methyl-N-(1-oxododecyl)glycine|Nikkol Sarcosinate LH|NSC 96994|Sarcosinate LH|Sarcosine, N-lauroyl-|Sarcosyl L|Sarkosyl L|UNII-LIJ19P3L6F|15535-18-9|58392-41-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042011
ERPathway2016 ERPathway2016_639 N-Dodecanoyl-N-methylglycine 97-78-9 DTXSID7042011 A13 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCC(=O)N(C)CC(O)=O N-Dodecanoyl-N-methylglycine 97-78-9|N-Dodecanoyl-N-methylglycine|Crodasinic L|EINECS 202-608-3|Glycine, N-methyl-N-(1-oxododecyl)-|Hamposyl L|LAUROYL SARCOSINE|Lauroylsarcosinate|Lauroylsarcosine|Maprosyl L|N-Dodecanoylsarcosinate|N-Dodecanoylsarcosine|N-lauroilsarcosina|N-Lauroyl sarcosinate|N-Lauroyl-N-methylaminoacetic acid|N-Lauroyl-N-methylglycine|N-Lauroylsarcosine|N-Lauroylsarkosin|N-Laurylsarcosine|N-Methyl-N-(1-oxododecyl)glycine|Nikkol Sarcosinate LH|NSC 96994|Sarcosinate LH|Sarcosine, N-lauroyl-|Sarcosyl L|Sarkosyl L|UNII-LIJ19P3L6F|15535-18-9|58392-41-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7042011
ARPathway2016 ARPathway2016_709 n-Dodecylbenzene 123-01-3 DTXSID7026994 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCC1=CC=CC=C1 n-Dodecylbenzene 123-01-3|n-Dodecylbenzene|1-Dodecylbenzene|1-Phenyl-n-dodecane|1-Phenyldodecane|4-05-00-01200|Alkylate P 1|Benzene, dodecyl-|BRN 1909107|Detergent alkylate|Detergent Alkylate No. 2|DODECANE, 1-PHENYL-|dodecilbenceno|Dodecylbenzene|Dodecylbenzene, crude|Dodecylbenzol|EINECS 204-591-8|Laurylbenzene|Marlican|Nalkylene 500|NSC 102805|NSC 4584|Phenyldodecan|Ucane alkylate 12|28776-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026994
ARPathway2016 ARPathway2016_709 n-Dodecylbenzene 123-01-3 DTXSID7026994 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCC1=CC=CC=C1 n-Dodecylbenzene 123-01-3|n-Dodecylbenzene|1-Dodecylbenzene|1-Phenyl-n-dodecane|1-Phenyldodecane|4-05-00-01200|Alkylate P 1|Benzene, dodecyl-|BRN 1909107|Detergent alkylate|Detergent Alkylate No. 2|DODECANE, 1-PHENYL-|dodecilbenceno|Dodecylbenzene|Dodecylbenzene, crude|Dodecylbenzol|EINECS 204-591-8|Laurylbenzene|Marlican|Nalkylene 500|NSC 102805|NSC 4584|Phenyldodecan|Ucane alkylate 12|28776-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026994
ARPathway2016 ARPathway2016_709 n-Dodecylbenzene 123-01-3 DTXSID7026994 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCC1=CC=CC=C1 n-Dodecylbenzene 123-01-3|n-Dodecylbenzene|1-Dodecylbenzene|1-Phenyl-n-dodecane|1-Phenyldodecane|4-05-00-01200|Alkylate P 1|Benzene, dodecyl-|BRN 1909107|Detergent alkylate|Detergent Alkylate No. 2|DODECANE, 1-PHENYL-|dodecilbenceno|Dodecylbenzene|Dodecylbenzene, crude|Dodecylbenzol|EINECS 204-591-8|Laurylbenzene|Marlican|Nalkylene 500|NSC 102805|NSC 4584|Phenyldodecan|Ucane alkylate 12|28776-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026994
ARPathway2016 ARPathway2016_709 n-Dodecylbenzene 123-01-3 DTXSID7026994 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCC1=CC=CC=C1 n-Dodecylbenzene 123-01-3|n-Dodecylbenzene|1-Dodecylbenzene|1-Phenyl-n-dodecane|1-Phenyldodecane|4-05-00-01200|Alkylate P 1|Benzene, dodecyl-|BRN 1909107|Detergent alkylate|Detergent Alkylate No. 2|DODECANE, 1-PHENYL-|dodecilbenceno|Dodecylbenzene|Dodecylbenzene, crude|Dodecylbenzol|EINECS 204-591-8|Laurylbenzene|Marlican|Nalkylene 500|NSC 102805|NSC 4584|Phenyldodecan|Ucane alkylate 12|28776-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026994
ARPathway2016 ARPathway2016_137 n-Dodecylphenol 27193-86-8 DTXSID1027926 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 24.467893060055 uM CCCCCCCCCCCC*.OC1=CC=CC=C1 |c:15,17,t:13,lp:13:2,m:12:15.16.17| n-Dodecylphenol 27193-86-8|n-Dodecylphenol|ADX 100|dodecilfenol|Dodecylphenol|Dodecylphenol (mixed isomers)|EINECS 248-312-8|NSC 6812|Phenol, dodecyl-|UN 1760|1331-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027926
ARPathway2016 ARPathway2016_137 n-Dodecylphenol 27193-86-8 DTXSID1027926 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 24.1950268869343 uM CCCCCCCCCCCC*.OC1=CC=CC=C1 |c:15,17,t:13,lp:13:2,m:12:15.16.17| n-Dodecylphenol 27193-86-8|n-Dodecylphenol|ADX 100|dodecilfenol|Dodecylphenol|Dodecylphenol (mixed isomers)|EINECS 248-312-8|NSC 6812|Phenol, dodecyl-|UN 1760|1331-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027926
ARPathway2016 ARPathway2016_137 n-Dodecylphenol 27193-86-8 DTXSID1027926 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.2 Unitless CCCCCCCCCCCC*.OC1=CC=CC=C1 |c:15,17,t:13,lp:13:2,m:12:15.16.17| n-Dodecylphenol 27193-86-8|n-Dodecylphenol|ADX 100|dodecilfenol|Dodecylphenol|Dodecylphenol (mixed isomers)|EINECS 248-312-8|NSC 6812|Phenol, dodecyl-|UN 1760|1331-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027926
ARPathway2016 ARPathway2016_137 n-Dodecylphenol 27193-86-8 DTXSID1027926 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCC*.OC1=CC=CC=C1 |c:15,17,t:13,lp:13:2,m:12:15.16.17| n-Dodecylphenol 27193-86-8|n-Dodecylphenol|ADX 100|dodecilfenol|Dodecylphenol|Dodecylphenol (mixed isomers)|EINECS 248-312-8|NSC 6812|Phenol, dodecyl-|UN 1760|1331-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027926
ARPathway2016 ARPathway2016_137 n-Dodecylphenol 27193-86-8 DTXSID1027926 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCCCCCCCCC*.OC1=CC=CC=C1 |c:15,17,t:13,lp:13:2,m:12:15.16.17| n-Dodecylphenol 27193-86-8|n-Dodecylphenol|ADX 100|dodecilfenol|Dodecylphenol|Dodecylphenol (mixed isomers)|EINECS 248-312-8|NSC 6812|Phenol, dodecyl-|UN 1760|1331-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027926
ARPathway2016 ARPathway2016_137 n-Dodecylphenol 27193-86-8 DTXSID1027926 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCC*.OC1=CC=CC=C1 |c:15,17,t:13,lp:13:2,m:12:15.16.17| n-Dodecylphenol 27193-86-8|n-Dodecylphenol|ADX 100|dodecilfenol|Dodecylphenol|Dodecylphenol (mixed isomers)|EINECS 248-312-8|NSC 6812|Phenol, dodecyl-|UN 1760|1331-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027926
ERPathway2016 ERPathway2016_170 n-Dodecylphenol 27193-86-8 DTXSID1027926 Agonist ER Pathway Model, Antagonist AC50 1.51161139578964 uM CCCCCCCCCCCC*.OC1=CC=CC=C1 |c:15,17,t:13,lp:13:2,m:12:15.16.17| n-Dodecylphenol 27193-86-8|n-Dodecylphenol|ADX 100|dodecilfenol|Dodecylphenol|Dodecylphenol (mixed isomers)|EINECS 248-312-8|NSC 6812|Phenol, dodecyl-|UN 1760|1331-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027926
ERPathway2016 ERPathway2016_170 n-Dodecylphenol 27193-86-8 DTXSID1027926 Agonist ER Pathway Model, Antagonist ACC 0.776167319827061 uM CCCCCCCCCCCC*.OC1=CC=CC=C1 |c:15,17,t:13,lp:13:2,m:12:15.16.17| n-Dodecylphenol 27193-86-8|n-Dodecylphenol|ADX 100|dodecilfenol|Dodecylphenol|Dodecylphenol (mixed isomers)|EINECS 248-312-8|NSC 6812|Phenol, dodecyl-|UN 1760|1331-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027926
ERPathway2016 ERPathway2016_170 n-Dodecylphenol 27193-86-8 DTXSID1027926 Agonist ER Pathway Model, Agonist Model Score 0.392 Unitless CCCCCCCCCCCC*.OC1=CC=CC=C1 |c:15,17,t:13,lp:13:2,m:12:15.16.17| n-Dodecylphenol 27193-86-8|n-Dodecylphenol|ADX 100|dodecilfenol|Dodecylphenol|Dodecylphenol (mixed isomers)|EINECS 248-312-8|NSC 6812|Phenol, dodecyl-|UN 1760|1331-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027926
ERPathway2016 ERPathway2016_170 n-Dodecylphenol 27193-86-8 DTXSID1027926 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCC*.OC1=CC=CC=C1 |c:15,17,t:13,lp:13:2,m:12:15.16.17| n-Dodecylphenol 27193-86-8|n-Dodecylphenol|ADX 100|dodecilfenol|Dodecylphenol|Dodecylphenol (mixed isomers)|EINECS 248-312-8|NSC 6812|Phenol, dodecyl-|UN 1760|1331-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027926
ERPathway2016 ERPathway2016_170 n-Dodecylphenol 27193-86-8 DTXSID1027926 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCC*.OC1=CC=CC=C1 |c:15,17,t:13,lp:13:2,m:12:15.16.17| n-Dodecylphenol 27193-86-8|n-Dodecylphenol|ADX 100|dodecilfenol|Dodecylphenol|Dodecylphenol (mixed isomers)|EINECS 248-312-8|NSC 6812|Phenol, dodecyl-|UN 1760|1331-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027926
ERPathway2016 ERPathway2016_170 n-Dodecylphenol 27193-86-8 DTXSID1027926 Agonist ER Pathway Model, Antagonist Call Active Unitless CCCCCCCCCCCC*.OC1=CC=CC=C1 |c:15,17,t:13,lp:13:2,m:12:15.16.17| n-Dodecylphenol 27193-86-8|n-Dodecylphenol|ADX 100|dodecilfenol|Dodecylphenol|Dodecylphenol (mixed isomers)|EINECS 248-312-8|NSC 6812|Phenol, dodecyl-|UN 1760|1331-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027926
ARPathway2016 ARPathway2016_175 Nelivaptan 439687-69-1 DTXSID7047358 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 25.57202804 uM COC1=CC(OC)=C(C=C1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(C2=CC(Cl)=CC=C12)C1=CC=CC=C1OC Nelivaptan 439687-69-1|Nelivaptan|SSR149415|UNII-3TY57MQ4OA https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047358
ARPathway2016 ARPathway2016_175 Nelivaptan 439687-69-1 DTXSID7047358 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 21.0281426153212 uM COC1=CC(OC)=C(C=C1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(C2=CC(Cl)=CC=C12)C1=CC=CC=C1OC Nelivaptan 439687-69-1|Nelivaptan|SSR149415|UNII-3TY57MQ4OA https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047358
ARPathway2016 ARPathway2016_175 Nelivaptan 439687-69-1 DTXSID7047358 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0665 Unitless COC1=CC(OC)=C(C=C1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(C2=CC(Cl)=CC=C12)C1=CC=CC=C1OC Nelivaptan 439687-69-1|Nelivaptan|SSR149415|UNII-3TY57MQ4OA https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047358
ARPathway2016 ARPathway2016_175 Nelivaptan 439687-69-1 DTXSID7047358 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0.023 Unitless COC1=CC(OC)=C(C=C1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(C2=CC(Cl)=CC=C12)C1=CC=CC=C1OC Nelivaptan 439687-69-1|Nelivaptan|SSR149415|UNII-3TY57MQ4OA https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047358
ARPathway2016 ARPathway2016_175 Nelivaptan 439687-69-1 DTXSID7047358 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless COC1=CC(OC)=C(C=C1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(C2=CC(Cl)=CC=C12)C1=CC=CC=C1OC Nelivaptan 439687-69-1|Nelivaptan|SSR149415|UNII-3TY57MQ4OA https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047358
ARPathway2016 ARPathway2016_175 Nelivaptan 439687-69-1 DTXSID7047358 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC(OC)=C(C=C1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(C2=CC(Cl)=CC=C12)C1=CC=CC=C1OC Nelivaptan 439687-69-1|Nelivaptan|SSR149415|UNII-3TY57MQ4OA https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047358
ERPathway2016 ERPathway2016_668 Nelivaptan 439687-69-1 DTXSID7047358 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC(OC)=C(C=C1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(C2=CC(Cl)=CC=C12)C1=CC=CC=C1OC Nelivaptan 439687-69-1|Nelivaptan|SSR149415|UNII-3TY57MQ4OA https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047358
ERPathway2016 ERPathway2016_668 Nelivaptan 439687-69-1 DTXSID7047358 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC(OC)=C(C=C1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(C2=CC(Cl)=CC=C12)C1=CC=CC=C1OC Nelivaptan 439687-69-1|Nelivaptan|SSR149415|UNII-3TY57MQ4OA https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047358
ERPathway2016 ERPathway2016_668 Nelivaptan 439687-69-1 DTXSID7047358 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC(OC)=C(C=C1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(C2=CC(Cl)=CC=C12)C1=CC=CC=C1OC Nelivaptan 439687-69-1|Nelivaptan|SSR149415|UNII-3TY57MQ4OA https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047358
ERPathway2016 ERPathway2016_668 Nelivaptan 439687-69-1 DTXSID7047358 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC(OC)=C(C=C1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(C2=CC(Cl)=CC=C12)C1=CC=CC=C1OC Nelivaptan 439687-69-1|Nelivaptan|SSR149415|UNII-3TY57MQ4OA https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047358
ARPathway2016 ARPathway2016_1082 Neodecanoic acid 26896-20-8 DTXSID7027916 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Neodecanoic acid 26896-20-8|Neodecanoic acid|Caswell No. 365A|EINECS 248-093-9|EPA Pesticide Chemical Code 097501|Neodecanoic Acid Prime|Shina 10|Topper 5E|Wiltz 65 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027916
ARPathway2016 ARPathway2016_1082 Neodecanoic acid 26896-20-8 DTXSID7027916 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Neodecanoic acid 26896-20-8|Neodecanoic acid|Caswell No. 365A|EINECS 248-093-9|EPA Pesticide Chemical Code 097501|Neodecanoic Acid Prime|Shina 10|Topper 5E|Wiltz 65 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027916
ARPathway2016 ARPathway2016_1082 Neodecanoic acid 26896-20-8 DTXSID7027916 0.0 AR Pathway Model, Agonist Call Inactive Unitless Neodecanoic acid 26896-20-8|Neodecanoic acid|Caswell No. 365A|EINECS 248-093-9|EPA Pesticide Chemical Code 097501|Neodecanoic Acid Prime|Shina 10|Topper 5E|Wiltz 65 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027916
ARPathway2016 ARPathway2016_1082 Neodecanoic acid 26896-20-8 DTXSID7027916 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Neodecanoic acid 26896-20-8|Neodecanoic acid|Caswell No. 365A|EINECS 248-093-9|EPA Pesticide Chemical Code 097501|Neodecanoic Acid Prime|Shina 10|Topper 5E|Wiltz 65 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027916
ERPathway2016 ERPathway2016_1004 Neodecanoic acid 26896-20-8 DTXSID7027916 ER Pathway Model, Agonist Model Score 0 Unitless Neodecanoic acid 26896-20-8|Neodecanoic acid|Caswell No. 365A|EINECS 248-093-9|EPA Pesticide Chemical Code 097501|Neodecanoic Acid Prime|Shina 10|Topper 5E|Wiltz 65 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027916
ERPathway2016 ERPathway2016_1004 Neodecanoic acid 26896-20-8 DTXSID7027916 ER Pathway Model, Antagonist Model Score 0 Unitless Neodecanoic acid 26896-20-8|Neodecanoic acid|Caswell No. 365A|EINECS 248-093-9|EPA Pesticide Chemical Code 097501|Neodecanoic Acid Prime|Shina 10|Topper 5E|Wiltz 65 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027916
ERPathway2016 ERPathway2016_1004 Neodecanoic acid 26896-20-8 DTXSID7027916 ER Pathway Model, Agonist Call Inactive Unitless Neodecanoic acid 26896-20-8|Neodecanoic acid|Caswell No. 365A|EINECS 248-093-9|EPA Pesticide Chemical Code 097501|Neodecanoic Acid Prime|Shina 10|Topper 5E|Wiltz 65 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027916
ERPathway2016 ERPathway2016_1004 Neodecanoic acid 26896-20-8 DTXSID7027916 ER Pathway Model, Antagonist Call Inactive Unitless Neodecanoic acid 26896-20-8|Neodecanoic acid|Caswell No. 365A|EINECS 248-093-9|EPA Pesticide Chemical Code 097501|Neodecanoic Acid Prime|Shina 10|Topper 5E|Wiltz 65 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027916
ARPathway2016 ARPathway2016_1513 Nerolidol 7212-44-4 DTXSID3022247 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(C)=CCCC(C)(O)C=C Nerolidol 7212-44-4|Nerolidol|(.+-.)-Nerolidol|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-|3-01-00-02042|3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene|3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol,isomerengemisch|3,7,11-trimethyldodeca-1,6,10-triene-3-ol,melange d'isomeres|3,7,11-trimetildodeca-1,6,10-trien-3-ol,mezcla de isomeros|BRN 1724135|DODECA-1,6,10-TRIEN-3-OL, 3,7,11-TRIMETHYL-|EINECS 230-597-5|EPA Pesticide Chemical Code 128910|FEMA No. 2772|Methylvinylhomogeranyl carbinol|Nerodilol|UNII-QR6IP857S6|35944-21-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022247
ARPathway2016 ARPathway2016_1513 Nerolidol 7212-44-4 DTXSID3022247 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(C)=CCCC(C)(O)C=C Nerolidol 7212-44-4|Nerolidol|(.+-.)-Nerolidol|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-|3-01-00-02042|3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene|3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol,isomerengemisch|3,7,11-trimethyldodeca-1,6,10-triene-3-ol,melange d'isomeres|3,7,11-trimetildodeca-1,6,10-trien-3-ol,mezcla de isomeros|BRN 1724135|DODECA-1,6,10-TRIEN-3-OL, 3,7,11-TRIMETHYL-|EINECS 230-597-5|EPA Pesticide Chemical Code 128910|FEMA No. 2772|Methylvinylhomogeranyl carbinol|Nerodilol|UNII-QR6IP857S6|35944-21-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022247
ARPathway2016 ARPathway2016_1513 Nerolidol 7212-44-4 DTXSID3022247 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(C)=CCCC(C)(O)C=C Nerolidol 7212-44-4|Nerolidol|(.+-.)-Nerolidol|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-|3-01-00-02042|3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene|3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol,isomerengemisch|3,7,11-trimethyldodeca-1,6,10-triene-3-ol,melange d'isomeres|3,7,11-trimetildodeca-1,6,10-trien-3-ol,mezcla de isomeros|BRN 1724135|DODECA-1,6,10-TRIEN-3-OL, 3,7,11-TRIMETHYL-|EINECS 230-597-5|EPA Pesticide Chemical Code 128910|FEMA No. 2772|Methylvinylhomogeranyl carbinol|Nerodilol|UNII-QR6IP857S6|35944-21-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022247
ARPathway2016 ARPathway2016_1513 Nerolidol 7212-44-4 DTXSID3022247 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(C)=CCCC(C)(O)C=C Nerolidol 7212-44-4|Nerolidol|(.+-.)-Nerolidol|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-|3-01-00-02042|3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene|3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol,isomerengemisch|3,7,11-trimethyldodeca-1,6,10-triene-3-ol,melange d'isomeres|3,7,11-trimetildodeca-1,6,10-trien-3-ol,mezcla de isomeros|BRN 1724135|DODECA-1,6,10-TRIEN-3-OL, 3,7,11-TRIMETHYL-|EINECS 230-597-5|EPA Pesticide Chemical Code 128910|FEMA No. 2772|Methylvinylhomogeranyl carbinol|Nerodilol|UNII-QR6IP857S6|35944-21-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022247
ERPathway2016 ERPathway2016_910 Nerolidol 7212-44-4 DTXSID3022247 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)=CCCC(C)=CCCC(C)(O)C=C Nerolidol 7212-44-4|Nerolidol|(.+-.)-Nerolidol|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-|3-01-00-02042|3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene|3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol,isomerengemisch|3,7,11-trimethyldodeca-1,6,10-triene-3-ol,melange d'isomeres|3,7,11-trimetildodeca-1,6,10-trien-3-ol,mezcla de isomeros|BRN 1724135|DODECA-1,6,10-TRIEN-3-OL, 3,7,11-TRIMETHYL-|EINECS 230-597-5|EPA Pesticide Chemical Code 128910|FEMA No. 2772|Methylvinylhomogeranyl carbinol|Nerodilol|UNII-QR6IP857S6|35944-21-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022247
ERPathway2016 ERPathway2016_910 Nerolidol 7212-44-4 DTXSID3022247 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CCCC(C)=CCCC(C)(O)C=C Nerolidol 7212-44-4|Nerolidol|(.+-.)-Nerolidol|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-|3-01-00-02042|3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene|3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol,isomerengemisch|3,7,11-trimethyldodeca-1,6,10-triene-3-ol,melange d'isomeres|3,7,11-trimetildodeca-1,6,10-trien-3-ol,mezcla de isomeros|BRN 1724135|DODECA-1,6,10-TRIEN-3-OL, 3,7,11-TRIMETHYL-|EINECS 230-597-5|EPA Pesticide Chemical Code 128910|FEMA No. 2772|Methylvinylhomogeranyl carbinol|Nerodilol|UNII-QR6IP857S6|35944-21-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022247
ERPathway2016 ERPathway2016_910 Nerolidol 7212-44-4 DTXSID3022247 ER Pathway Model, Agonist Call Inactive Unitless CC(C)=CCCC(C)=CCCC(C)(O)C=C Nerolidol 7212-44-4|Nerolidol|(.+-.)-Nerolidol|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-|3-01-00-02042|3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene|3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol,isomerengemisch|3,7,11-trimethyldodeca-1,6,10-triene-3-ol,melange d'isomeres|3,7,11-trimetildodeca-1,6,10-trien-3-ol,mezcla de isomeros|BRN 1724135|DODECA-1,6,10-TRIEN-3-OL, 3,7,11-TRIMETHYL-|EINECS 230-597-5|EPA Pesticide Chemical Code 128910|FEMA No. 2772|Methylvinylhomogeranyl carbinol|Nerodilol|UNII-QR6IP857S6|35944-21-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022247
ERPathway2016 ERPathway2016_910 Nerolidol 7212-44-4 DTXSID3022247 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)=CCCC(C)=CCCC(C)(O)C=C Nerolidol 7212-44-4|Nerolidol|(.+-.)-Nerolidol|1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-|3-01-00-02042|3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene|3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol,isomerengemisch|3,7,11-trimethyldodeca-1,6,10-triene-3-ol,melange d'isomeres|3,7,11-trimetildodeca-1,6,10-trien-3-ol,mezcla de isomeros|BRN 1724135|DODECA-1,6,10-TRIEN-3-OL, 3,7,11-TRIMETHYL-|EINECS 230-597-5|EPA Pesticide Chemical Code 128910|FEMA No. 2772|Methylvinylhomogeranyl carbinol|Nerodilol|UNII-QR6IP857S6|35944-21-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022247
ARPathway2016 ARPathway2016_423 N-Ethyl-3-methylaniline 102-27-2 DTXSID4021848 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCNC1=CC(C)=CC=C1 N-Ethyl-3-methylaniline 102-27-2|N-Ethyl-3-methylaniline|4-12-00-01816|benzenamine, N-ethyl-3-methyl-|BRN 0742170|EINECS 203-019-4|m-Methyl-N-ethylaniline|m-Toluidine, N-ethyl-|N-Ethyl-3-methylbenzenamine|NSC 8624|Toluene, 3-(ethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021848
ARPathway2016 ARPathway2016_423 N-Ethyl-3-methylaniline 102-27-2 DTXSID4021848 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCNC1=CC(C)=CC=C1 N-Ethyl-3-methylaniline 102-27-2|N-Ethyl-3-methylaniline|4-12-00-01816|benzenamine, N-ethyl-3-methyl-|BRN 0742170|EINECS 203-019-4|m-Methyl-N-ethylaniline|m-Toluidine, N-ethyl-|N-Ethyl-3-methylbenzenamine|NSC 8624|Toluene, 3-(ethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021848
ARPathway2016 ARPathway2016_423 N-Ethyl-3-methylaniline 102-27-2 DTXSID4021848 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCNC1=CC(C)=CC=C1 N-Ethyl-3-methylaniline 102-27-2|N-Ethyl-3-methylaniline|4-12-00-01816|benzenamine, N-ethyl-3-methyl-|BRN 0742170|EINECS 203-019-4|m-Methyl-N-ethylaniline|m-Toluidine, N-ethyl-|N-Ethyl-3-methylbenzenamine|NSC 8624|Toluene, 3-(ethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021848
ARPathway2016 ARPathway2016_423 N-Ethyl-3-methylaniline 102-27-2 DTXSID4021848 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCNC1=CC(C)=CC=C1 N-Ethyl-3-methylaniline 102-27-2|N-Ethyl-3-methylaniline|4-12-00-01816|benzenamine, N-ethyl-3-methyl-|BRN 0742170|EINECS 203-019-4|m-Methyl-N-ethylaniline|m-Toluidine, N-ethyl-|N-Ethyl-3-methylbenzenamine|NSC 8624|Toluene, 3-(ethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021848
ERPathway2016 ERPathway2016_1065 N-Ethyl-3-methylaniline 102-27-2 DTXSID4021848 ER Pathway Model, Agonist Model Score 0 Unitless CCNC1=CC(C)=CC=C1 N-Ethyl-3-methylaniline 102-27-2|N-Ethyl-3-methylaniline|4-12-00-01816|benzenamine, N-ethyl-3-methyl-|BRN 0742170|EINECS 203-019-4|m-Methyl-N-ethylaniline|m-Toluidine, N-ethyl-|N-Ethyl-3-methylbenzenamine|NSC 8624|Toluene, 3-(ethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021848
ERPathway2016 ERPathway2016_1065 N-Ethyl-3-methylaniline 102-27-2 DTXSID4021848 ER Pathway Model, Antagonist Model Score 0 Unitless CCNC1=CC(C)=CC=C1 N-Ethyl-3-methylaniline 102-27-2|N-Ethyl-3-methylaniline|4-12-00-01816|benzenamine, N-ethyl-3-methyl-|BRN 0742170|EINECS 203-019-4|m-Methyl-N-ethylaniline|m-Toluidine, N-ethyl-|N-Ethyl-3-methylbenzenamine|NSC 8624|Toluene, 3-(ethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021848
ERPathway2016 ERPathway2016_1065 N-Ethyl-3-methylaniline 102-27-2 DTXSID4021848 ER Pathway Model, Agonist Call Inactive Unitless CCNC1=CC(C)=CC=C1 N-Ethyl-3-methylaniline 102-27-2|N-Ethyl-3-methylaniline|4-12-00-01816|benzenamine, N-ethyl-3-methyl-|BRN 0742170|EINECS 203-019-4|m-Methyl-N-ethylaniline|m-Toluidine, N-ethyl-|N-Ethyl-3-methylbenzenamine|NSC 8624|Toluene, 3-(ethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021848
ERPathway2016 ERPathway2016_1065 N-Ethyl-3-methylaniline 102-27-2 DTXSID4021848 ER Pathway Model, Antagonist Call Inactive Unitless CCNC1=CC(C)=CC=C1 N-Ethyl-3-methylaniline 102-27-2|N-Ethyl-3-methylaniline|4-12-00-01816|benzenamine, N-ethyl-3-methyl-|BRN 0742170|EINECS 203-019-4|m-Methyl-N-ethylaniline|m-Toluidine, N-ethyl-|N-Ethyl-3-methylbenzenamine|NSC 8624|Toluene, 3-(ethylamino)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021848
ARPathway2016 ARPathway2016_440 N-Ethylaniline 103-69-5 DTXSID1025271 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCNC1=CC=CC=C1 N-Ethylaniline 103-69-5|N-Ethylaniline|4-12-00-00250|Aethylanilin|ANILINE, N-ETHYL-|Anilinoethane|Benzenamine, N-ethyl-|BRN 0507468|EINECS 203-135-5|ETHYLANILINE|Ethylphenylamine|N-AETHYLANILIN|N-Ethyl-N-phenylamine|N-Ethylaminobenzene|N-Ethylanilin|N-Ethylbenzenamine|N-Ethylbenzenamine N-Ethylphenylamine|N-Ethylbenzenamino|N-Ethylbenzeneamino|N-etilanilina|NSC 8736|UN 2272|UNII-7E45L4I2PS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025271 https://doi.org/10.22427/NTP-DATA-DTXSID1025271
ARPathway2016 ARPathway2016_440 N-Ethylaniline 103-69-5 DTXSID1025271 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCNC1=CC=CC=C1 N-Ethylaniline 103-69-5|N-Ethylaniline|4-12-00-00250|Aethylanilin|ANILINE, N-ETHYL-|Anilinoethane|Benzenamine, N-ethyl-|BRN 0507468|EINECS 203-135-5|ETHYLANILINE|Ethylphenylamine|N-AETHYLANILIN|N-Ethyl-N-phenylamine|N-Ethylaminobenzene|N-Ethylanilin|N-Ethylbenzenamine|N-Ethylbenzenamine N-Ethylphenylamine|N-Ethylbenzenamino|N-Ethylbenzeneamino|N-etilanilina|NSC 8736|UN 2272|UNII-7E45L4I2PS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025271 https://doi.org/10.22427/NTP-DATA-DTXSID1025271
ARPathway2016 ARPathway2016_440 N-Ethylaniline 103-69-5 DTXSID1025271 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCNC1=CC=CC=C1 N-Ethylaniline 103-69-5|N-Ethylaniline|4-12-00-00250|Aethylanilin|ANILINE, N-ETHYL-|Anilinoethane|Benzenamine, N-ethyl-|BRN 0507468|EINECS 203-135-5|ETHYLANILINE|Ethylphenylamine|N-AETHYLANILIN|N-Ethyl-N-phenylamine|N-Ethylaminobenzene|N-Ethylanilin|N-Ethylbenzenamine|N-Ethylbenzenamine N-Ethylphenylamine|N-Ethylbenzenamino|N-Ethylbenzeneamino|N-etilanilina|NSC 8736|UN 2272|UNII-7E45L4I2PS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025271 https://doi.org/10.22427/NTP-DATA-DTXSID1025271
ARPathway2016 ARPathway2016_440 N-Ethylaniline 103-69-5 DTXSID1025271 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCNC1=CC=CC=C1 N-Ethylaniline 103-69-5|N-Ethylaniline|4-12-00-00250|Aethylanilin|ANILINE, N-ETHYL-|Anilinoethane|Benzenamine, N-ethyl-|BRN 0507468|EINECS 203-135-5|ETHYLANILINE|Ethylphenylamine|N-AETHYLANILIN|N-Ethyl-N-phenylamine|N-Ethylaminobenzene|N-Ethylanilin|N-Ethylbenzenamine|N-Ethylbenzenamine N-Ethylphenylamine|N-Ethylbenzenamino|N-Ethylbenzeneamino|N-etilanilina|NSC 8736|UN 2272|UNII-7E45L4I2PS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025271 https://doi.org/10.22427/NTP-DATA-DTXSID1025271
ERPathway2016 ERPathway2016_1072 N-Ethylaniline 103-69-5 DTXSID1025271 ER Pathway Model, Agonist Model Score 0 Unitless CCNC1=CC=CC=C1 N-Ethylaniline 103-69-5|N-Ethylaniline|4-12-00-00250|Aethylanilin|ANILINE, N-ETHYL-|Anilinoethane|Benzenamine, N-ethyl-|BRN 0507468|EINECS 203-135-5|ETHYLANILINE|Ethylphenylamine|N-AETHYLANILIN|N-Ethyl-N-phenylamine|N-Ethylaminobenzene|N-Ethylanilin|N-Ethylbenzenamine|N-Ethylbenzenamine N-Ethylphenylamine|N-Ethylbenzenamino|N-Ethylbenzeneamino|N-etilanilina|NSC 8736|UN 2272|UNII-7E45L4I2PS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025271 https://doi.org/10.22427/NTP-DATA-DTXSID1025271
ERPathway2016 ERPathway2016_1072 N-Ethylaniline 103-69-5 DTXSID1025271 ER Pathway Model, Antagonist Model Score 0 Unitless CCNC1=CC=CC=C1 N-Ethylaniline 103-69-5|N-Ethylaniline|4-12-00-00250|Aethylanilin|ANILINE, N-ETHYL-|Anilinoethane|Benzenamine, N-ethyl-|BRN 0507468|EINECS 203-135-5|ETHYLANILINE|Ethylphenylamine|N-AETHYLANILIN|N-Ethyl-N-phenylamine|N-Ethylaminobenzene|N-Ethylanilin|N-Ethylbenzenamine|N-Ethylbenzenamine N-Ethylphenylamine|N-Ethylbenzenamino|N-Ethylbenzeneamino|N-etilanilina|NSC 8736|UN 2272|UNII-7E45L4I2PS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025271 https://doi.org/10.22427/NTP-DATA-DTXSID1025271
ERPathway2016 ERPathway2016_1072 N-Ethylaniline 103-69-5 DTXSID1025271 ER Pathway Model, Agonist Call Inactive Unitless CCNC1=CC=CC=C1 N-Ethylaniline 103-69-5|N-Ethylaniline|4-12-00-00250|Aethylanilin|ANILINE, N-ETHYL-|Anilinoethane|Benzenamine, N-ethyl-|BRN 0507468|EINECS 203-135-5|ETHYLANILINE|Ethylphenylamine|N-AETHYLANILIN|N-Ethyl-N-phenylamine|N-Ethylaminobenzene|N-Ethylanilin|N-Ethylbenzenamine|N-Ethylbenzenamine N-Ethylphenylamine|N-Ethylbenzenamino|N-Ethylbenzeneamino|N-etilanilina|NSC 8736|UN 2272|UNII-7E45L4I2PS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025271 https://doi.org/10.22427/NTP-DATA-DTXSID1025271
ERPathway2016 ERPathway2016_1072 N-Ethylaniline 103-69-5 DTXSID1025271 ER Pathway Model, Antagonist Call Inactive Unitless CCNC1=CC=CC=C1 N-Ethylaniline 103-69-5|N-Ethylaniline|4-12-00-00250|Aethylanilin|ANILINE, N-ETHYL-|Anilinoethane|Benzenamine, N-ethyl-|BRN 0507468|EINECS 203-135-5|ETHYLANILINE|Ethylphenylamine|N-AETHYLANILIN|N-Ethyl-N-phenylamine|N-Ethylaminobenzene|N-Ethylanilin|N-Ethylbenzenamine|N-Ethylbenzenamine N-Ethylphenylamine|N-Ethylbenzenamino|N-Ethylbenzeneamino|N-etilanilina|NSC 8736|UN 2272|UNII-7E45L4I2PS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025271 https://doi.org/10.22427/NTP-DATA-DTXSID1025271
ARPathway2016 ARPathway2016_1197 N-Ethylperfluorooctane sulfonamide 4151-50-2 DTXSID1032646 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F N-Ethylperfluorooctane sulfonamide 4151-50-2|N-Ethylperfluorooctane sulfonamide|1-Octanesulfonamida, N-etil-1 ,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro -|1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-|223-980-3|AI 3-29757|Alstar|Alstar (pesticide)|BRN 2317462|EC No.: 223-980-3|EINECS 223-980-3|EPA Pesticide Chemical Code 128992|EtFOSA|FiniTron|Mirex S|N-EtFOSA|N-EtFOSA-M|N-Ethyl perfluorooctanesulfonamide|N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide|N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|N-Ethylheptadecafluoroctansulfonamid|N-Ethylheptadecafluorooctanesulfonamide|N-ethylheptadecafluorooctanesulphonamide|N-ethylperfluoro-1-octanesulfonamide|N-ethylperfluorooctane sulphonamide|N-ethylperfluorooctane-1-sulfonamide|N-Ethylperfluorooctylsulfonamide|N-etilheptadecafluorooctanosulfonamida|NEtFOSA|OCTANE SULFONAMIDE, N-ETHYLPERFLUORO-|Sulfluramid|Sulfluramide|UNII-IPX089YR0A|Volcano|Volcano (insecticide) https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032646
ARPathway2016 ARPathway2016_1197 N-Ethylperfluorooctane sulfonamide 4151-50-2 DTXSID1032646 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F N-Ethylperfluorooctane sulfonamide 4151-50-2|N-Ethylperfluorooctane sulfonamide|1-Octanesulfonamida, N-etil-1 ,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro -|1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-|223-980-3|AI 3-29757|Alstar|Alstar (pesticide)|BRN 2317462|EC No.: 223-980-3|EINECS 223-980-3|EPA Pesticide Chemical Code 128992|EtFOSA|FiniTron|Mirex S|N-EtFOSA|N-EtFOSA-M|N-Ethyl perfluorooctanesulfonamide|N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide|N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|N-Ethylheptadecafluoroctansulfonamid|N-Ethylheptadecafluorooctanesulfonamide|N-ethylheptadecafluorooctanesulphonamide|N-ethylperfluoro-1-octanesulfonamide|N-ethylperfluorooctane sulphonamide|N-ethylperfluorooctane-1-sulfonamide|N-Ethylperfluorooctylsulfonamide|N-etilheptadecafluorooctanosulfonamida|NEtFOSA|OCTANE SULFONAMIDE, N-ETHYLPERFLUORO-|Sulfluramid|Sulfluramide|UNII-IPX089YR0A|Volcano|Volcano (insecticide) https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032646
ARPathway2016 ARPathway2016_1197 N-Ethylperfluorooctane sulfonamide 4151-50-2 DTXSID1032646 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F N-Ethylperfluorooctane sulfonamide 4151-50-2|N-Ethylperfluorooctane sulfonamide|1-Octanesulfonamida, N-etil-1 ,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro -|1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-|223-980-3|AI 3-29757|Alstar|Alstar (pesticide)|BRN 2317462|EC No.: 223-980-3|EINECS 223-980-3|EPA Pesticide Chemical Code 128992|EtFOSA|FiniTron|Mirex S|N-EtFOSA|N-EtFOSA-M|N-Ethyl perfluorooctanesulfonamide|N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide|N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|N-Ethylheptadecafluoroctansulfonamid|N-Ethylheptadecafluorooctanesulfonamide|N-ethylheptadecafluorooctanesulphonamide|N-ethylperfluoro-1-octanesulfonamide|N-ethylperfluorooctane sulphonamide|N-ethylperfluorooctane-1-sulfonamide|N-Ethylperfluorooctylsulfonamide|N-etilheptadecafluorooctanosulfonamida|NEtFOSA|OCTANE SULFONAMIDE, N-ETHYLPERFLUORO-|Sulfluramid|Sulfluramide|UNII-IPX089YR0A|Volcano|Volcano (insecticide) https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032646
ARPathway2016 ARPathway2016_1197 N-Ethylperfluorooctane sulfonamide 4151-50-2 DTXSID1032646 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F N-Ethylperfluorooctane sulfonamide 4151-50-2|N-Ethylperfluorooctane sulfonamide|1-Octanesulfonamida, N-etil-1 ,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro -|1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-|223-980-3|AI 3-29757|Alstar|Alstar (pesticide)|BRN 2317462|EC No.: 223-980-3|EINECS 223-980-3|EPA Pesticide Chemical Code 128992|EtFOSA|FiniTron|Mirex S|N-EtFOSA|N-EtFOSA-M|N-Ethyl perfluorooctanesulfonamide|N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide|N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|N-Ethylheptadecafluoroctansulfonamid|N-Ethylheptadecafluorooctanesulfonamide|N-ethylheptadecafluorooctanesulphonamide|N-ethylperfluoro-1-octanesulfonamide|N-ethylperfluorooctane sulphonamide|N-ethylperfluorooctane-1-sulfonamide|N-Ethylperfluorooctylsulfonamide|N-etilheptadecafluorooctanosulfonamida|NEtFOSA|OCTANE SULFONAMIDE, N-ETHYLPERFLUORO-|Sulfluramid|Sulfluramide|UNII-IPX089YR0A|Volcano|Volcano (insecticide) https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032646
ERPathway2016 ERPathway2016_640 N-Ethylperfluorooctane sulfonamide 4151-50-2 DTXSID1032646 A17 ER Pathway Model, Agonist Model Score 0 Unitless CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F N-Ethylperfluorooctane sulfonamide 4151-50-2|N-Ethylperfluorooctane sulfonamide|1-Octanesulfonamida, N-etil-1 ,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro -|1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-|223-980-3|AI 3-29757|Alstar|Alstar (pesticide)|BRN 2317462|EC No.: 223-980-3|EINECS 223-980-3|EPA Pesticide Chemical Code 128992|EtFOSA|FiniTron|Mirex S|N-EtFOSA|N-EtFOSA-M|N-Ethyl perfluorooctanesulfonamide|N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide|N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|N-Ethylheptadecafluoroctansulfonamid|N-Ethylheptadecafluorooctanesulfonamide|N-ethylheptadecafluorooctanesulphonamide|N-ethylperfluoro-1-octanesulfonamide|N-ethylperfluorooctane sulphonamide|N-ethylperfluorooctane-1-sulfonamide|N-Ethylperfluorooctylsulfonamide|N-etilheptadecafluorooctanosulfonamida|NEtFOSA|OCTANE SULFONAMIDE, N-ETHYLPERFLUORO-|Sulfluramid|Sulfluramide|UNII-IPX089YR0A|Volcano|Volcano (insecticide) https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032646
ERPathway2016 ERPathway2016_640 N-Ethylperfluorooctane sulfonamide 4151-50-2 DTXSID1032646 A17 ER Pathway Model, Antagonist Model Score 0 Unitless CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F N-Ethylperfluorooctane sulfonamide 4151-50-2|N-Ethylperfluorooctane sulfonamide|1-Octanesulfonamida, N-etil-1 ,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro -|1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-|223-980-3|AI 3-29757|Alstar|Alstar (pesticide)|BRN 2317462|EC No.: 223-980-3|EINECS 223-980-3|EPA Pesticide Chemical Code 128992|EtFOSA|FiniTron|Mirex S|N-EtFOSA|N-EtFOSA-M|N-Ethyl perfluorooctanesulfonamide|N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide|N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|N-Ethylheptadecafluoroctansulfonamid|N-Ethylheptadecafluorooctanesulfonamide|N-ethylheptadecafluorooctanesulphonamide|N-ethylperfluoro-1-octanesulfonamide|N-ethylperfluorooctane sulphonamide|N-ethylperfluorooctane-1-sulfonamide|N-Ethylperfluorooctylsulfonamide|N-etilheptadecafluorooctanosulfonamida|NEtFOSA|OCTANE SULFONAMIDE, N-ETHYLPERFLUORO-|Sulfluramid|Sulfluramide|UNII-IPX089YR0A|Volcano|Volcano (insecticide) https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032646
ERPathway2016 ERPathway2016_640 N-Ethylperfluorooctane sulfonamide 4151-50-2 DTXSID1032646 A17 ER Pathway Model, Agonist Call Inactive Unitless CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F N-Ethylperfluorooctane sulfonamide 4151-50-2|N-Ethylperfluorooctane sulfonamide|1-Octanesulfonamida, N-etil-1 ,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro -|1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-|223-980-3|AI 3-29757|Alstar|Alstar (pesticide)|BRN 2317462|EC No.: 223-980-3|EINECS 223-980-3|EPA Pesticide Chemical Code 128992|EtFOSA|FiniTron|Mirex S|N-EtFOSA|N-EtFOSA-M|N-Ethyl perfluorooctanesulfonamide|N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide|N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|N-Ethylheptadecafluoroctansulfonamid|N-Ethylheptadecafluorooctanesulfonamide|N-ethylheptadecafluorooctanesulphonamide|N-ethylperfluoro-1-octanesulfonamide|N-ethylperfluorooctane sulphonamide|N-ethylperfluorooctane-1-sulfonamide|N-Ethylperfluorooctylsulfonamide|N-etilheptadecafluorooctanosulfonamida|NEtFOSA|OCTANE SULFONAMIDE, N-ETHYLPERFLUORO-|Sulfluramid|Sulfluramide|UNII-IPX089YR0A|Volcano|Volcano (insecticide) https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032646
ERPathway2016 ERPathway2016_640 N-Ethylperfluorooctane sulfonamide 4151-50-2 DTXSID1032646 A17 ER Pathway Model, Antagonist Call Inactive Unitless CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F N-Ethylperfluorooctane sulfonamide 4151-50-2|N-Ethylperfluorooctane sulfonamide|1-Octanesulfonamida, N-etil-1 ,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro -|1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-|223-980-3|AI 3-29757|Alstar|Alstar (pesticide)|BRN 2317462|EC No.: 223-980-3|EINECS 223-980-3|EPA Pesticide Chemical Code 128992|EtFOSA|FiniTron|Mirex S|N-EtFOSA|N-EtFOSA-M|N-Ethyl perfluorooctanesulfonamide|N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide|N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|N-Ethylheptadecafluoroctansulfonamid|N-Ethylheptadecafluorooctanesulfonamide|N-ethylheptadecafluorooctanesulphonamide|N-ethylperfluoro-1-octanesulfonamide|N-ethylperfluorooctane sulphonamide|N-ethylperfluorooctane-1-sulfonamide|N-Ethylperfluorooctylsulfonamide|N-etilheptadecafluorooctanosulfonamida|NEtFOSA|OCTANE SULFONAMIDE, N-ETHYLPERFLUORO-|Sulfluramid|Sulfluramide|UNII-IPX089YR0A|Volcano|Volcano (insecticide) https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032646
ARPathway2016 ARPathway2016_1808 Niacinamide 98-92-0 DTXSID2020929 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC(=O)C1=CC=CN=C1 Niacinamide 98-92-0|Niacinamide|3-(Aminocarbonyl)pyridine|3-Amidopyridine|3-Carbamoylpyridine|3-Pyridinecarboxamide|3-Pyridinecarboxylic acid amide|Acid amide|Amid kyseliny nikotinove|Amide PP|Aminicotin|Amixicotyn|Amnicotin|Austrovit PP|b-Pyridinecarboxamide|Benicot|beta-pyridinecarboxamide|Delonin Amide|Dipegyl|Dipigyl|EINECS 202-713-4|Endobion|Factor pp|Hansamid|Inovitan PP|m-(Aminocarbonyl)pyridine|Mediatric|Nam|Nandervit-N|Niacevit|Niamide|Niavit PP|Nicamide|Nicamina|Nicamindon|Nicasir|Nicobion|Nicofort|Nicogen|Nicomidol|Nicosan 2|Nicosylamide|Nicota|Nicotamide|Nicotilamide|Nicotililamido|Nicotinamid|nicotinamida|Nicotinamide|Nicotinamidum|Nicotine acid amide|Nicotine amide|Nicotinic acid amide|Nicotinic amide|Nicotinsaeureamid|Nicotinsaureamid|Nicotol|Nicotylamide|Nicotylamidum|Nicovel|Nicovit|Nicovitina|Nicovitol|Nicozymin|Nictoamide|Niko-tamin|Nikotinamid|Nikotinsaeureamid|Niocinamide|Niozymin|NSC 13128|NSC 27452|Papulex|Pelmin|Pelmine|Pelonin amide|PP-Faktor|Propamine A|PYRIDINE-3-CARBOXAMIDE|Pyridine-3-carboxylic acid amide|Pyridi|123574-63-0|37321-14-5|78731-47-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020929 https://doi.org/10.22427/NTP-DATA-DTXSID2020929
ARPathway2016 ARPathway2016_1808 Niacinamide 98-92-0 DTXSID2020929 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC(=O)C1=CC=CN=C1 Niacinamide 98-92-0|Niacinamide|3-(Aminocarbonyl)pyridine|3-Amidopyridine|3-Carbamoylpyridine|3-Pyridinecarboxamide|3-Pyridinecarboxylic acid amide|Acid amide|Amid kyseliny nikotinove|Amide PP|Aminicotin|Amixicotyn|Amnicotin|Austrovit PP|b-Pyridinecarboxamide|Benicot|beta-pyridinecarboxamide|Delonin Amide|Dipegyl|Dipigyl|EINECS 202-713-4|Endobion|Factor pp|Hansamid|Inovitan PP|m-(Aminocarbonyl)pyridine|Mediatric|Nam|Nandervit-N|Niacevit|Niamide|Niavit PP|Nicamide|Nicamina|Nicamindon|Nicasir|Nicobion|Nicofort|Nicogen|Nicomidol|Nicosan 2|Nicosylamide|Nicota|Nicotamide|Nicotilamide|Nicotililamido|Nicotinamid|nicotinamida|Nicotinamide|Nicotinamidum|Nicotine acid amide|Nicotine amide|Nicotinic acid amide|Nicotinic amide|Nicotinsaeureamid|Nicotinsaureamid|Nicotol|Nicotylamide|Nicotylamidum|Nicovel|Nicovit|Nicovitina|Nicovitol|Nicozymin|Nictoamide|Niko-tamin|Nikotinamid|Nikotinsaeureamid|Niocinamide|Niozymin|NSC 13128|NSC 27452|Papulex|Pelmin|Pelmine|Pelonin amide|PP-Faktor|Propamine A|PYRIDINE-3-CARBOXAMIDE|Pyridine-3-carboxylic acid amide|Pyridi|123574-63-0|37321-14-5|78731-47-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020929 https://doi.org/10.22427/NTP-DATA-DTXSID2020929
ARPathway2016 ARPathway2016_1808 Niacinamide 98-92-0 DTXSID2020929 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC(=O)C1=CC=CN=C1 Niacinamide 98-92-0|Niacinamide|3-(Aminocarbonyl)pyridine|3-Amidopyridine|3-Carbamoylpyridine|3-Pyridinecarboxamide|3-Pyridinecarboxylic acid amide|Acid amide|Amid kyseliny nikotinove|Amide PP|Aminicotin|Amixicotyn|Amnicotin|Austrovit PP|b-Pyridinecarboxamide|Benicot|beta-pyridinecarboxamide|Delonin Amide|Dipegyl|Dipigyl|EINECS 202-713-4|Endobion|Factor pp|Hansamid|Inovitan PP|m-(Aminocarbonyl)pyridine|Mediatric|Nam|Nandervit-N|Niacevit|Niamide|Niavit PP|Nicamide|Nicamina|Nicamindon|Nicasir|Nicobion|Nicofort|Nicogen|Nicomidol|Nicosan 2|Nicosylamide|Nicota|Nicotamide|Nicotilamide|Nicotililamido|Nicotinamid|nicotinamida|Nicotinamide|Nicotinamidum|Nicotine acid amide|Nicotine amide|Nicotinic acid amide|Nicotinic amide|Nicotinsaeureamid|Nicotinsaureamid|Nicotol|Nicotylamide|Nicotylamidum|Nicovel|Nicovit|Nicovitina|Nicovitol|Nicozymin|Nictoamide|Niko-tamin|Nikotinamid|Nikotinsaeureamid|Niocinamide|Niozymin|NSC 13128|NSC 27452|Papulex|Pelmin|Pelmine|Pelonin amide|PP-Faktor|Propamine A|PYRIDINE-3-CARBOXAMIDE|Pyridine-3-carboxylic acid amide|Pyridi|123574-63-0|37321-14-5|78731-47-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020929 https://doi.org/10.22427/NTP-DATA-DTXSID2020929
ARPathway2016 ARPathway2016_1808 Niacinamide 98-92-0 DTXSID2020929 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC(=O)C1=CC=CN=C1 Niacinamide 98-92-0|Niacinamide|3-(Aminocarbonyl)pyridine|3-Amidopyridine|3-Carbamoylpyridine|3-Pyridinecarboxamide|3-Pyridinecarboxylic acid amide|Acid amide|Amid kyseliny nikotinove|Amide PP|Aminicotin|Amixicotyn|Amnicotin|Austrovit PP|b-Pyridinecarboxamide|Benicot|beta-pyridinecarboxamide|Delonin Amide|Dipegyl|Dipigyl|EINECS 202-713-4|Endobion|Factor pp|Hansamid|Inovitan PP|m-(Aminocarbonyl)pyridine|Mediatric|Nam|Nandervit-N|Niacevit|Niamide|Niavit PP|Nicamide|Nicamina|Nicamindon|Nicasir|Nicobion|Nicofort|Nicogen|Nicomidol|Nicosan 2|Nicosylamide|Nicota|Nicotamide|Nicotilamide|Nicotililamido|Nicotinamid|nicotinamida|Nicotinamide|Nicotinamidum|Nicotine acid amide|Nicotine amide|Nicotinic acid amide|Nicotinic amide|Nicotinsaeureamid|Nicotinsaureamid|Nicotol|Nicotylamide|Nicotylamidum|Nicovel|Nicovit|Nicovitina|Nicovitol|Nicozymin|Nictoamide|Niko-tamin|Nikotinamid|Nikotinsaeureamid|Niocinamide|Niozymin|NSC 13128|NSC 27452|Papulex|Pelmin|Pelmine|Pelonin amide|PP-Faktor|Propamine A|PYRIDINE-3-CARBOXAMIDE|Pyridine-3-carboxylic acid amide|Pyridi|123574-63-0|37321-14-5|78731-47-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020929 https://doi.org/10.22427/NTP-DATA-DTXSID2020929
ERPathway2016 ERPathway2016_1792 Niacinamide 98-92-0 DTXSID2020929 ER Pathway Model, Agonist Model Score 0 Unitless NC(=O)C1=CC=CN=C1 Niacinamide 98-92-0|Niacinamide|3-(Aminocarbonyl)pyridine|3-Amidopyridine|3-Carbamoylpyridine|3-Pyridinecarboxamide|3-Pyridinecarboxylic acid amide|Acid amide|Amid kyseliny nikotinove|Amide PP|Aminicotin|Amixicotyn|Amnicotin|Austrovit PP|b-Pyridinecarboxamide|Benicot|beta-pyridinecarboxamide|Delonin Amide|Dipegyl|Dipigyl|EINECS 202-713-4|Endobion|Factor pp|Hansamid|Inovitan PP|m-(Aminocarbonyl)pyridine|Mediatric|Nam|Nandervit-N|Niacevit|Niamide|Niavit PP|Nicamide|Nicamina|Nicamindon|Nicasir|Nicobion|Nicofort|Nicogen|Nicomidol|Nicosan 2|Nicosylamide|Nicota|Nicotamide|Nicotilamide|Nicotililamido|Nicotinamid|nicotinamida|Nicotinamide|Nicotinamidum|Nicotine acid amide|Nicotine amide|Nicotinic acid amide|Nicotinic amide|Nicotinsaeureamid|Nicotinsaureamid|Nicotol|Nicotylamide|Nicotylamidum|Nicovel|Nicovit|Nicovitina|Nicovitol|Nicozymin|Nictoamide|Niko-tamin|Nikotinamid|Nikotinsaeureamid|Niocinamide|Niozymin|NSC 13128|NSC 27452|Papulex|Pelmin|Pelmine|Pelonin amide|PP-Faktor|Propamine A|PYRIDINE-3-CARBOXAMIDE|Pyridine-3-carboxylic acid amide|Pyridi|123574-63-0|37321-14-5|78731-47-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020929 https://doi.org/10.22427/NTP-DATA-DTXSID2020929
ERPathway2016 ERPathway2016_1792 Niacinamide 98-92-0 DTXSID2020929 ER Pathway Model, Antagonist Model Score 0 Unitless NC(=O)C1=CC=CN=C1 Niacinamide 98-92-0|Niacinamide|3-(Aminocarbonyl)pyridine|3-Amidopyridine|3-Carbamoylpyridine|3-Pyridinecarboxamide|3-Pyridinecarboxylic acid amide|Acid amide|Amid kyseliny nikotinove|Amide PP|Aminicotin|Amixicotyn|Amnicotin|Austrovit PP|b-Pyridinecarboxamide|Benicot|beta-pyridinecarboxamide|Delonin Amide|Dipegyl|Dipigyl|EINECS 202-713-4|Endobion|Factor pp|Hansamid|Inovitan PP|m-(Aminocarbonyl)pyridine|Mediatric|Nam|Nandervit-N|Niacevit|Niamide|Niavit PP|Nicamide|Nicamina|Nicamindon|Nicasir|Nicobion|Nicofort|Nicogen|Nicomidol|Nicosan 2|Nicosylamide|Nicota|Nicotamide|Nicotilamide|Nicotililamido|Nicotinamid|nicotinamida|Nicotinamide|Nicotinamidum|Nicotine acid amide|Nicotine amide|Nicotinic acid amide|Nicotinic amide|Nicotinsaeureamid|Nicotinsaureamid|Nicotol|Nicotylamide|Nicotylamidum|Nicovel|Nicovit|Nicovitina|Nicovitol|Nicozymin|Nictoamide|Niko-tamin|Nikotinamid|Nikotinsaeureamid|Niocinamide|Niozymin|NSC 13128|NSC 27452|Papulex|Pelmin|Pelmine|Pelonin amide|PP-Faktor|Propamine A|PYRIDINE-3-CARBOXAMIDE|Pyridine-3-carboxylic acid amide|Pyridi|123574-63-0|37321-14-5|78731-47-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020929 https://doi.org/10.22427/NTP-DATA-DTXSID2020929
ERPathway2016 ERPathway2016_1792 Niacinamide 98-92-0 DTXSID2020929 ER Pathway Model, Agonist Call Inactive Unitless NC(=O)C1=CC=CN=C1 Niacinamide 98-92-0|Niacinamide|3-(Aminocarbonyl)pyridine|3-Amidopyridine|3-Carbamoylpyridine|3-Pyridinecarboxamide|3-Pyridinecarboxylic acid amide|Acid amide|Amid kyseliny nikotinove|Amide PP|Aminicotin|Amixicotyn|Amnicotin|Austrovit PP|b-Pyridinecarboxamide|Benicot|beta-pyridinecarboxamide|Delonin Amide|Dipegyl|Dipigyl|EINECS 202-713-4|Endobion|Factor pp|Hansamid|Inovitan PP|m-(Aminocarbonyl)pyridine|Mediatric|Nam|Nandervit-N|Niacevit|Niamide|Niavit PP|Nicamide|Nicamina|Nicamindon|Nicasir|Nicobion|Nicofort|Nicogen|Nicomidol|Nicosan 2|Nicosylamide|Nicota|Nicotamide|Nicotilamide|Nicotililamido|Nicotinamid|nicotinamida|Nicotinamide|Nicotinamidum|Nicotine acid amide|Nicotine amide|Nicotinic acid amide|Nicotinic amide|Nicotinsaeureamid|Nicotinsaureamid|Nicotol|Nicotylamide|Nicotylamidum|Nicovel|Nicovit|Nicovitina|Nicovitol|Nicozymin|Nictoamide|Niko-tamin|Nikotinamid|Nikotinsaeureamid|Niocinamide|Niozymin|NSC 13128|NSC 27452|Papulex|Pelmin|Pelmine|Pelonin amide|PP-Faktor|Propamine A|PYRIDINE-3-CARBOXAMIDE|Pyridine-3-carboxylic acid amide|Pyridi|123574-63-0|37321-14-5|78731-47-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020929 https://doi.org/10.22427/NTP-DATA-DTXSID2020929
ERPathway2016 ERPathway2016_1792 Niacinamide 98-92-0 DTXSID2020929 ER Pathway Model, Antagonist Call Inactive Unitless NC(=O)C1=CC=CN=C1 Niacinamide 98-92-0|Niacinamide|3-(Aminocarbonyl)pyridine|3-Amidopyridine|3-Carbamoylpyridine|3-Pyridinecarboxamide|3-Pyridinecarboxylic acid amide|Acid amide|Amid kyseliny nikotinove|Amide PP|Aminicotin|Amixicotyn|Amnicotin|Austrovit PP|b-Pyridinecarboxamide|Benicot|beta-pyridinecarboxamide|Delonin Amide|Dipegyl|Dipigyl|EINECS 202-713-4|Endobion|Factor pp|Hansamid|Inovitan PP|m-(Aminocarbonyl)pyridine|Mediatric|Nam|Nandervit-N|Niacevit|Niamide|Niavit PP|Nicamide|Nicamina|Nicamindon|Nicasir|Nicobion|Nicofort|Nicogen|Nicomidol|Nicosan 2|Nicosylamide|Nicota|Nicotamide|Nicotilamide|Nicotililamido|Nicotinamid|nicotinamida|Nicotinamide|Nicotinamidum|Nicotine acid amide|Nicotine amide|Nicotinic acid amide|Nicotinic amide|Nicotinsaeureamid|Nicotinsaureamid|Nicotol|Nicotylamide|Nicotylamidum|Nicovel|Nicovit|Nicovitina|Nicovitol|Nicozymin|Nictoamide|Niko-tamin|Nikotinamid|Nikotinsaeureamid|Niocinamide|Niozymin|NSC 13128|NSC 27452|Papulex|Pelmin|Pelmine|Pelonin amide|PP-Faktor|Propamine A|PYRIDINE-3-CARBOXAMIDE|Pyridine-3-carboxylic acid amide|Pyridi|123574-63-0|37321-14-5|78731-47-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020929 https://doi.org/10.22427/NTP-DATA-DTXSID2020929
ARPathway2016 ARPathway2016_588 Nicosulfuron 111991-09-4 DTXSID6034764 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)C2=NC=CC=C2C(=O)N(C)C)=N1 Nicosulfuron 111991-09-4|Nicosulfuron|1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-dimethylcarbamoyl-2- pyridylsulfonyl)urea|2-[(4,6-Dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-N,Ndimethylnicotinamide|3-Pyridinecarboxamide, 2-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-N,N-dimethyl-|Accent|DPX-V9360|EPA Pesticide Chemical Code 129008|Milagro|Motivell|Nicosulfuron|UNII-CG297D9264|V9360 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034764
ARPathway2016 ARPathway2016_588 Nicosulfuron 111991-09-4 DTXSID6034764 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)C2=NC=CC=C2C(=O)N(C)C)=N1 Nicosulfuron 111991-09-4|Nicosulfuron|1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-dimethylcarbamoyl-2- pyridylsulfonyl)urea|2-[(4,6-Dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-N,Ndimethylnicotinamide|3-Pyridinecarboxamide, 2-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-N,N-dimethyl-|Accent|DPX-V9360|EPA Pesticide Chemical Code 129008|Milagro|Motivell|Nicosulfuron|UNII-CG297D9264|V9360 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034764
ARPathway2016 ARPathway2016_588 Nicosulfuron 111991-09-4 DTXSID6034764 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)C2=NC=CC=C2C(=O)N(C)C)=N1 Nicosulfuron 111991-09-4|Nicosulfuron|1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-dimethylcarbamoyl-2- pyridylsulfonyl)urea|2-[(4,6-Dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-N,Ndimethylnicotinamide|3-Pyridinecarboxamide, 2-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-N,N-dimethyl-|Accent|DPX-V9360|EPA Pesticide Chemical Code 129008|Milagro|Motivell|Nicosulfuron|UNII-CG297D9264|V9360 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034764
ARPathway2016 ARPathway2016_588 Nicosulfuron 111991-09-4 DTXSID6034764 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)C2=NC=CC=C2C(=O)N(C)C)=N1 Nicosulfuron 111991-09-4|Nicosulfuron|1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-dimethylcarbamoyl-2- pyridylsulfonyl)urea|2-[(4,6-Dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-N,Ndimethylnicotinamide|3-Pyridinecarboxamide, 2-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-N,N-dimethyl-|Accent|DPX-V9360|EPA Pesticide Chemical Code 129008|Milagro|Motivell|Nicosulfuron|UNII-CG297D9264|V9360 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034764
ERPathway2016 ERPathway2016_889 Nicosulfuron 111991-09-4 DTXSID6034764 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)C2=NC=CC=C2C(=O)N(C)C)=N1 Nicosulfuron 111991-09-4|Nicosulfuron|1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-dimethylcarbamoyl-2- pyridylsulfonyl)urea|2-[(4,6-Dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-N,Ndimethylnicotinamide|3-Pyridinecarboxamide, 2-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-N,N-dimethyl-|Accent|DPX-V9360|EPA Pesticide Chemical Code 129008|Milagro|Motivell|Nicosulfuron|UNII-CG297D9264|V9360 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034764
ERPathway2016 ERPathway2016_889 Nicosulfuron 111991-09-4 DTXSID6034764 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)C2=NC=CC=C2C(=O)N(C)C)=N1 Nicosulfuron 111991-09-4|Nicosulfuron|1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-dimethylcarbamoyl-2- pyridylsulfonyl)urea|2-[(4,6-Dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-N,Ndimethylnicotinamide|3-Pyridinecarboxamide, 2-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-N,N-dimethyl-|Accent|DPX-V9360|EPA Pesticide Chemical Code 129008|Milagro|Motivell|Nicosulfuron|UNII-CG297D9264|V9360 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034764
ERPathway2016 ERPathway2016_889 Nicosulfuron 111991-09-4 DTXSID6034764 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)C2=NC=CC=C2C(=O)N(C)C)=N1 Nicosulfuron 111991-09-4|Nicosulfuron|1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-dimethylcarbamoyl-2- pyridylsulfonyl)urea|2-[(4,6-Dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-N,Ndimethylnicotinamide|3-Pyridinecarboxamide, 2-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-N,N-dimethyl-|Accent|DPX-V9360|EPA Pesticide Chemical Code 129008|Milagro|Motivell|Nicosulfuron|UNII-CG297D9264|V9360 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034764
ERPathway2016 ERPathway2016_889 Nicosulfuron 111991-09-4 DTXSID6034764 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)C2=NC=CC=C2C(=O)N(C)C)=N1 Nicosulfuron 111991-09-4|Nicosulfuron|1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-dimethylcarbamoyl-2- pyridylsulfonyl)urea|2-[(4,6-Dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-N,Ndimethylnicotinamide|3-Pyridinecarboxamide, 2-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-N,N-dimethyl-|Accent|DPX-V9360|EPA Pesticide Chemical Code 129008|Milagro|Motivell|Nicosulfuron|UNII-CG297D9264|V9360 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034764
ARPathway2016 ARPathway2016_1380 Nicotinic acid 59-67-6 DTXSID1020932 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC=CN=C1 Nicotinic acid 59-67-6|Nicotinic acid|3-Carboxylpyridine|3-Carboxypyridine|3-Picolinic acid|3-Pyridinecarboxylate|3-Pyridinecarboxylic acid|3-Pyridylcarboxylate|3-Pyridylcarboxylic acid|5-22-02-00057|Acide nicotinique|acido nicotinico|Acidum nicotinicum|Akotin|anti-pellagra vitamin|Apelagrin|beta-pyridinecarboxylic acid|BRN 0109591|Caswell No. 598|CGA-180777|Daskil|Davitamon PP|Direktan|Efacin|EINECS 200-441-0|Enduracin|EPA Pesticide Chemical Code 056701|Induracin|Kyselina nikotinova|Linic|m-pyridinecarboxylic acid|Niac|Niacin|Niacine|Niacor|Niaspan|Niaspan Titration Starter Pack|Nicacid|Nicagin|Nicamin|Nicangin|Nico-Span|Nicobid|Nicocap|Nicocidin|Nicocrisina|Nicodelmine|Nicolar|Niconacid|Niconat|Niconazid|Nicosan 3|Nicosyl|Nicotamin|Nicotene|Nicotil|Nicotinate|Nicotine acid|Nicotinipca|NICOTINSAEURE|Nicotinsaure|Nicovasan|Nicovasen|Nicyl|Nikotinsaeure|Nipellen|NSC 169454|Nyclin|P.P. factor|pellagra preventive factor|Pellagramin|Pellagrin|Pelonin|Peviton|PP factor|pyridine-3-carboxylic acid|Pyridine-beta-carboxylic acid|Pyridine-carboxylique-3|SK|123574-58-3|1580002-26-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020932
ARPathway2016 ARPathway2016_1380 Nicotinic acid 59-67-6 DTXSID1020932 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC=CN=C1 Nicotinic acid 59-67-6|Nicotinic acid|3-Carboxylpyridine|3-Carboxypyridine|3-Picolinic acid|3-Pyridinecarboxylate|3-Pyridinecarboxylic acid|3-Pyridylcarboxylate|3-Pyridylcarboxylic acid|5-22-02-00057|Acide nicotinique|acido nicotinico|Acidum nicotinicum|Akotin|anti-pellagra vitamin|Apelagrin|beta-pyridinecarboxylic acid|BRN 0109591|Caswell No. 598|CGA-180777|Daskil|Davitamon PP|Direktan|Efacin|EINECS 200-441-0|Enduracin|EPA Pesticide Chemical Code 056701|Induracin|Kyselina nikotinova|Linic|m-pyridinecarboxylic acid|Niac|Niacin|Niacine|Niacor|Niaspan|Niaspan Titration Starter Pack|Nicacid|Nicagin|Nicamin|Nicangin|Nico-Span|Nicobid|Nicocap|Nicocidin|Nicocrisina|Nicodelmine|Nicolar|Niconacid|Niconat|Niconazid|Nicosan 3|Nicosyl|Nicotamin|Nicotene|Nicotil|Nicotinate|Nicotine acid|Nicotinipca|NICOTINSAEURE|Nicotinsaure|Nicovasan|Nicovasen|Nicyl|Nikotinsaeure|Nipellen|NSC 169454|Nyclin|P.P. factor|pellagra preventive factor|Pellagramin|Pellagrin|Pelonin|Peviton|PP factor|pyridine-3-carboxylic acid|Pyridine-beta-carboxylic acid|Pyridine-carboxylique-3|SK|123574-58-3|1580002-26-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020932
ARPathway2016 ARPathway2016_1380 Nicotinic acid 59-67-6 DTXSID1020932 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC=CN=C1 Nicotinic acid 59-67-6|Nicotinic acid|3-Carboxylpyridine|3-Carboxypyridine|3-Picolinic acid|3-Pyridinecarboxylate|3-Pyridinecarboxylic acid|3-Pyridylcarboxylate|3-Pyridylcarboxylic acid|5-22-02-00057|Acide nicotinique|acido nicotinico|Acidum nicotinicum|Akotin|anti-pellagra vitamin|Apelagrin|beta-pyridinecarboxylic acid|BRN 0109591|Caswell No. 598|CGA-180777|Daskil|Davitamon PP|Direktan|Efacin|EINECS 200-441-0|Enduracin|EPA Pesticide Chemical Code 056701|Induracin|Kyselina nikotinova|Linic|m-pyridinecarboxylic acid|Niac|Niacin|Niacine|Niacor|Niaspan|Niaspan Titration Starter Pack|Nicacid|Nicagin|Nicamin|Nicangin|Nico-Span|Nicobid|Nicocap|Nicocidin|Nicocrisina|Nicodelmine|Nicolar|Niconacid|Niconat|Niconazid|Nicosan 3|Nicosyl|Nicotamin|Nicotene|Nicotil|Nicotinate|Nicotine acid|Nicotinipca|NICOTINSAEURE|Nicotinsaure|Nicovasan|Nicovasen|Nicyl|Nikotinsaeure|Nipellen|NSC 169454|Nyclin|P.P. factor|pellagra preventive factor|Pellagramin|Pellagrin|Pelonin|Peviton|PP factor|pyridine-3-carboxylic acid|Pyridine-beta-carboxylic acid|Pyridine-carboxylique-3|SK|123574-58-3|1580002-26-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020932
ARPathway2016 ARPathway2016_1380 Nicotinic acid 59-67-6 DTXSID1020932 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC=CN=C1 Nicotinic acid 59-67-6|Nicotinic acid|3-Carboxylpyridine|3-Carboxypyridine|3-Picolinic acid|3-Pyridinecarboxylate|3-Pyridinecarboxylic acid|3-Pyridylcarboxylate|3-Pyridylcarboxylic acid|5-22-02-00057|Acide nicotinique|acido nicotinico|Acidum nicotinicum|Akotin|anti-pellagra vitamin|Apelagrin|beta-pyridinecarboxylic acid|BRN 0109591|Caswell No. 598|CGA-180777|Daskil|Davitamon PP|Direktan|Efacin|EINECS 200-441-0|Enduracin|EPA Pesticide Chemical Code 056701|Induracin|Kyselina nikotinova|Linic|m-pyridinecarboxylic acid|Niac|Niacin|Niacine|Niacor|Niaspan|Niaspan Titration Starter Pack|Nicacid|Nicagin|Nicamin|Nicangin|Nico-Span|Nicobid|Nicocap|Nicocidin|Nicocrisina|Nicodelmine|Nicolar|Niconacid|Niconat|Niconazid|Nicosan 3|Nicosyl|Nicotamin|Nicotene|Nicotil|Nicotinate|Nicotine acid|Nicotinipca|NICOTINSAEURE|Nicotinsaure|Nicovasan|Nicovasen|Nicyl|Nikotinsaeure|Nipellen|NSC 169454|Nyclin|P.P. factor|pellagra preventive factor|Pellagramin|Pellagrin|Pelonin|Peviton|PP factor|pyridine-3-carboxylic acid|Pyridine-beta-carboxylic acid|Pyridine-carboxylique-3|SK|123574-58-3|1580002-26-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020932
ERPathway2016 ERPathway2016_1565 Nicotinic acid 59-67-6 DTXSID1020932 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC=CN=C1 Nicotinic acid 59-67-6|Nicotinic acid|3-Carboxylpyridine|3-Carboxypyridine|3-Picolinic acid|3-Pyridinecarboxylate|3-Pyridinecarboxylic acid|3-Pyridylcarboxylate|3-Pyridylcarboxylic acid|5-22-02-00057|Acide nicotinique|acido nicotinico|Acidum nicotinicum|Akotin|anti-pellagra vitamin|Apelagrin|beta-pyridinecarboxylic acid|BRN 0109591|Caswell No. 598|CGA-180777|Daskil|Davitamon PP|Direktan|Efacin|EINECS 200-441-0|Enduracin|EPA Pesticide Chemical Code 056701|Induracin|Kyselina nikotinova|Linic|m-pyridinecarboxylic acid|Niac|Niacin|Niacine|Niacor|Niaspan|Niaspan Titration Starter Pack|Nicacid|Nicagin|Nicamin|Nicangin|Nico-Span|Nicobid|Nicocap|Nicocidin|Nicocrisina|Nicodelmine|Nicolar|Niconacid|Niconat|Niconazid|Nicosan 3|Nicosyl|Nicotamin|Nicotene|Nicotil|Nicotinate|Nicotine acid|Nicotinipca|NICOTINSAEURE|Nicotinsaure|Nicovasan|Nicovasen|Nicyl|Nikotinsaeure|Nipellen|NSC 169454|Nyclin|P.P. factor|pellagra preventive factor|Pellagramin|Pellagrin|Pelonin|Peviton|PP factor|pyridine-3-carboxylic acid|Pyridine-beta-carboxylic acid|Pyridine-carboxylique-3|SK|123574-58-3|1580002-26-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020932
ERPathway2016 ERPathway2016_1565 Nicotinic acid 59-67-6 DTXSID1020932 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC=CN=C1 Nicotinic acid 59-67-6|Nicotinic acid|3-Carboxylpyridine|3-Carboxypyridine|3-Picolinic acid|3-Pyridinecarboxylate|3-Pyridinecarboxylic acid|3-Pyridylcarboxylate|3-Pyridylcarboxylic acid|5-22-02-00057|Acide nicotinique|acido nicotinico|Acidum nicotinicum|Akotin|anti-pellagra vitamin|Apelagrin|beta-pyridinecarboxylic acid|BRN 0109591|Caswell No. 598|CGA-180777|Daskil|Davitamon PP|Direktan|Efacin|EINECS 200-441-0|Enduracin|EPA Pesticide Chemical Code 056701|Induracin|Kyselina nikotinova|Linic|m-pyridinecarboxylic acid|Niac|Niacin|Niacine|Niacor|Niaspan|Niaspan Titration Starter Pack|Nicacid|Nicagin|Nicamin|Nicangin|Nico-Span|Nicobid|Nicocap|Nicocidin|Nicocrisina|Nicodelmine|Nicolar|Niconacid|Niconat|Niconazid|Nicosan 3|Nicosyl|Nicotamin|Nicotene|Nicotil|Nicotinate|Nicotine acid|Nicotinipca|NICOTINSAEURE|Nicotinsaure|Nicovasan|Nicovasen|Nicyl|Nikotinsaeure|Nipellen|NSC 169454|Nyclin|P.P. factor|pellagra preventive factor|Pellagramin|Pellagrin|Pelonin|Peviton|PP factor|pyridine-3-carboxylic acid|Pyridine-beta-carboxylic acid|Pyridine-carboxylique-3|SK|123574-58-3|1580002-26-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020932
ERPathway2016 ERPathway2016_1565 Nicotinic acid 59-67-6 DTXSID1020932 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC=CN=C1 Nicotinic acid 59-67-6|Nicotinic acid|3-Carboxylpyridine|3-Carboxypyridine|3-Picolinic acid|3-Pyridinecarboxylate|3-Pyridinecarboxylic acid|3-Pyridylcarboxylate|3-Pyridylcarboxylic acid|5-22-02-00057|Acide nicotinique|acido nicotinico|Acidum nicotinicum|Akotin|anti-pellagra vitamin|Apelagrin|beta-pyridinecarboxylic acid|BRN 0109591|Caswell No. 598|CGA-180777|Daskil|Davitamon PP|Direktan|Efacin|EINECS 200-441-0|Enduracin|EPA Pesticide Chemical Code 056701|Induracin|Kyselina nikotinova|Linic|m-pyridinecarboxylic acid|Niac|Niacin|Niacine|Niacor|Niaspan|Niaspan Titration Starter Pack|Nicacid|Nicagin|Nicamin|Nicangin|Nico-Span|Nicobid|Nicocap|Nicocidin|Nicocrisina|Nicodelmine|Nicolar|Niconacid|Niconat|Niconazid|Nicosan 3|Nicosyl|Nicotamin|Nicotene|Nicotil|Nicotinate|Nicotine acid|Nicotinipca|NICOTINSAEURE|Nicotinsaure|Nicovasan|Nicovasen|Nicyl|Nikotinsaeure|Nipellen|NSC 169454|Nyclin|P.P. factor|pellagra preventive factor|Pellagramin|Pellagrin|Pelonin|Peviton|PP factor|pyridine-3-carboxylic acid|Pyridine-beta-carboxylic acid|Pyridine-carboxylique-3|SK|123574-58-3|1580002-26-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020932
ERPathway2016 ERPathway2016_1565 Nicotinic acid 59-67-6 DTXSID1020932 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC=CN=C1 Nicotinic acid 59-67-6|Nicotinic acid|3-Carboxylpyridine|3-Carboxypyridine|3-Picolinic acid|3-Pyridinecarboxylate|3-Pyridinecarboxylic acid|3-Pyridylcarboxylate|3-Pyridylcarboxylic acid|5-22-02-00057|Acide nicotinique|acido nicotinico|Acidum nicotinicum|Akotin|anti-pellagra vitamin|Apelagrin|beta-pyridinecarboxylic acid|BRN 0109591|Caswell No. 598|CGA-180777|Daskil|Davitamon PP|Direktan|Efacin|EINECS 200-441-0|Enduracin|EPA Pesticide Chemical Code 056701|Induracin|Kyselina nikotinova|Linic|m-pyridinecarboxylic acid|Niac|Niacin|Niacine|Niacor|Niaspan|Niaspan Titration Starter Pack|Nicacid|Nicagin|Nicamin|Nicangin|Nico-Span|Nicobid|Nicocap|Nicocidin|Nicocrisina|Nicodelmine|Nicolar|Niconacid|Niconat|Niconazid|Nicosan 3|Nicosyl|Nicotamin|Nicotene|Nicotil|Nicotinate|Nicotine acid|Nicotinipca|NICOTINSAEURE|Nicotinsaure|Nicovasan|Nicovasen|Nicyl|Nikotinsaeure|Nipellen|NSC 169454|Nyclin|P.P. factor|pellagra preventive factor|Pellagramin|Pellagrin|Pelonin|Peviton|PP factor|pyridine-3-carboxylic acid|Pyridine-beta-carboxylic acid|Pyridine-carboxylique-3|SK|123574-58-3|1580002-26-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020932
ARPathway2016 ARPathway2016_241 Nilutamide 63612-50-0 DTXSID3034165 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist AC50 3.90468426 uM CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Nilutamide 63612-50-0|Nilutamide|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazoline-2,5-dione|1-(3'-Trifluoromethyl-4'-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|2,4-Imidazolidinedione, 5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-|5,5-Dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-2,4-imidazolidinedione|5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin|5,5-Dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione|Anandron|BRN 0841906|Nilandron|Nilandrone|Nilutamida|Nilutamide|Nilutamidum|RU 23908-10|UNII-51G6I8B902 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034165
ARPathway2016 ARPathway2016_241 Nilutamide 63612-50-0 DTXSID3034165 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist ACC 7.23827768299999 uM CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Nilutamide 63612-50-0|Nilutamide|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazoline-2,5-dione|1-(3'-Trifluoromethyl-4'-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|2,4-Imidazolidinedione, 5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-|5,5-Dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-2,4-imidazolidinedione|5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin|5,5-Dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione|Anandron|BRN 0841906|Nilandron|Nilandrone|Nilutamida|Nilutamide|Nilutamidum|RU 23908-10|UNII-51G6I8B902 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034165
ARPathway2016 ARPathway2016_241 Nilutamide 63612-50-0 DTXSID3034165 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Antagonist Model Score 0.846 Unitless CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Nilutamide 63612-50-0|Nilutamide|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazoline-2,5-dione|1-(3'-Trifluoromethyl-4'-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|2,4-Imidazolidinedione, 5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-|5,5-Dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-2,4-imidazolidinedione|5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin|5,5-Dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione|Anandron|BRN 0841906|Nilandron|Nilandrone|Nilutamida|Nilutamide|Nilutamidum|RU 23908-10|UNII-51G6I8B902 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034165
ARPathway2016 ARPathway2016_241 Nilutamide 63612-50-0 DTXSID3034165 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Nilutamide 63612-50-0|Nilutamide|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazoline-2,5-dione|1-(3'-Trifluoromethyl-4'-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|2,4-Imidazolidinedione, 5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-|5,5-Dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-2,4-imidazolidinedione|5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin|5,5-Dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione|Anandron|BRN 0841906|Nilandron|Nilandrone|Nilutamida|Nilutamide|Nilutamidum|RU 23908-10|UNII-51G6I8B902 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034165
ARPathway2016 ARPathway2016_241 Nilutamide 63612-50-0 DTXSID3034165 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Nilutamide 63612-50-0|Nilutamide|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazoline-2,5-dione|1-(3'-Trifluoromethyl-4'-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|2,4-Imidazolidinedione, 5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-|5,5-Dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-2,4-imidazolidinedione|5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin|5,5-Dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione|Anandron|BRN 0841906|Nilandron|Nilandrone|Nilutamida|Nilutamide|Nilutamidum|RU 23908-10|UNII-51G6I8B902 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034165
ARPathway2016 ARPathway2016_241 Nilutamide 63612-50-0 DTXSID3034165 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Nilutamide 63612-50-0|Nilutamide|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazoline-2,5-dione|1-(3'-Trifluoromethyl-4'-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|2,4-Imidazolidinedione, 5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-|5,5-Dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-2,4-imidazolidinedione|5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin|5,5-Dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione|Anandron|BRN 0841906|Nilandron|Nilandrone|Nilutamida|Nilutamide|Nilutamidum|RU 23908-10|UNII-51G6I8B902 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034165
ERPathway2016 ERPathway2016_656 Nilutamide 63612-50-0 DTXSID3034165 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Nilutamide 63612-50-0|Nilutamide|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazoline-2,5-dione|1-(3'-Trifluoromethyl-4'-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|2,4-Imidazolidinedione, 5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-|5,5-Dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-2,4-imidazolidinedione|5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin|5,5-Dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione|Anandron|BRN 0841906|Nilandron|Nilandrone|Nilutamida|Nilutamide|Nilutamidum|RU 23908-10|UNII-51G6I8B902 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034165
ERPathway2016 ERPathway2016_656 Nilutamide 63612-50-0 DTXSID3034165 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Nilutamide 63612-50-0|Nilutamide|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazoline-2,5-dione|1-(3'-Trifluoromethyl-4'-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|2,4-Imidazolidinedione, 5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-|5,5-Dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-2,4-imidazolidinedione|5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin|5,5-Dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione|Anandron|BRN 0841906|Nilandron|Nilandrone|Nilutamida|Nilutamide|Nilutamidum|RU 23908-10|UNII-51G6I8B902 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034165
ERPathway2016 ERPathway2016_656 Nilutamide 63612-50-0 DTXSID3034165 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Nilutamide 63612-50-0|Nilutamide|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazoline-2,5-dione|1-(3'-Trifluoromethyl-4'-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|2,4-Imidazolidinedione, 5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-|5,5-Dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-2,4-imidazolidinedione|5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin|5,5-Dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione|Anandron|BRN 0841906|Nilandron|Nilandrone|Nilutamida|Nilutamide|Nilutamidum|RU 23908-10|UNII-51G6I8B902 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034165
ERPathway2016 ERPathway2016_656 Nilutamide 63612-50-0 DTXSID3034165 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F Nilutamide 63612-50-0|Nilutamide|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|1-(3-Trifluoromethyl-4-nitrophenyl)-4,4-dimethylimidazoline-2,5-dione|1-(3'-Trifluoromethyl-4'-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione|2,4-Imidazolidinedione, 5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-|5,5-Dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-2,4-imidazolidinedione|5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin|5,5-Dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione|Anandron|BRN 0841906|Nilandron|Nilandrone|Nilutamida|Nilutamide|Nilutamidum|RU 23908-10|UNII-51G6I8B902 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034165
ARPathway2016 ARPathway2016_965 Nitrapyrin 1929-82-4 DTXSID0024216 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=CC(=N1)C(Cl)(Cl)Cl Nitrapyrin 1929-82-4|Nitrapyrin|2-Chloro-6-(trichloromethyl)pyridine|2-Chloro-6-trichloromethyl pyridine|5-20-05-00500|BRN 1618997|Caswell No. 217|EINECS 217-682-2|EPA Pesticide Chemical Code 069203|Formulation 56 (Nitrapyrin)|N-Serve|N-Serve nitrogen stabilizer|Nitra|Nitrapyrine|Pyridine, 2-chloro-6-(trichloromethyl)-|UNII-8PCE86U01W|1135442-91-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024216 https://doi.org/10.22427/NTP-DATA-DTXSID0024216
ARPathway2016 ARPathway2016_965 Nitrapyrin 1929-82-4 DTXSID0024216 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=CC(=N1)C(Cl)(Cl)Cl Nitrapyrin 1929-82-4|Nitrapyrin|2-Chloro-6-(trichloromethyl)pyridine|2-Chloro-6-trichloromethyl pyridine|5-20-05-00500|BRN 1618997|Caswell No. 217|EINECS 217-682-2|EPA Pesticide Chemical Code 069203|Formulation 56 (Nitrapyrin)|N-Serve|N-Serve nitrogen stabilizer|Nitra|Nitrapyrine|Pyridine, 2-chloro-6-(trichloromethyl)-|UNII-8PCE86U01W|1135442-91-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024216 https://doi.org/10.22427/NTP-DATA-DTXSID0024216
ARPathway2016 ARPathway2016_965 Nitrapyrin 1929-82-4 DTXSID0024216 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC1=CC=CC(=N1)C(Cl)(Cl)Cl Nitrapyrin 1929-82-4|Nitrapyrin|2-Chloro-6-(trichloromethyl)pyridine|2-Chloro-6-trichloromethyl pyridine|5-20-05-00500|BRN 1618997|Caswell No. 217|EINECS 217-682-2|EPA Pesticide Chemical Code 069203|Formulation 56 (Nitrapyrin)|N-Serve|N-Serve nitrogen stabilizer|Nitra|Nitrapyrine|Pyridine, 2-chloro-6-(trichloromethyl)-|UNII-8PCE86U01W|1135442-91-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024216 https://doi.org/10.22427/NTP-DATA-DTXSID0024216
ARPathway2016 ARPathway2016_965 Nitrapyrin 1929-82-4 DTXSID0024216 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=CC(=N1)C(Cl)(Cl)Cl Nitrapyrin 1929-82-4|Nitrapyrin|2-Chloro-6-(trichloromethyl)pyridine|2-Chloro-6-trichloromethyl pyridine|5-20-05-00500|BRN 1618997|Caswell No. 217|EINECS 217-682-2|EPA Pesticide Chemical Code 069203|Formulation 56 (Nitrapyrin)|N-Serve|N-Serve nitrogen stabilizer|Nitra|Nitrapyrine|Pyridine, 2-chloro-6-(trichloromethyl)-|UNII-8PCE86U01W|1135442-91-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024216 https://doi.org/10.22427/NTP-DATA-DTXSID0024216
ERPathway2016 ERPathway2016_1363 Nitrapyrin 1929-82-4 DTXSID0024216 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=CC(=N1)C(Cl)(Cl)Cl Nitrapyrin 1929-82-4|Nitrapyrin|2-Chloro-6-(trichloromethyl)pyridine|2-Chloro-6-trichloromethyl pyridine|5-20-05-00500|BRN 1618997|Caswell No. 217|EINECS 217-682-2|EPA Pesticide Chemical Code 069203|Formulation 56 (Nitrapyrin)|N-Serve|N-Serve nitrogen stabilizer|Nitra|Nitrapyrine|Pyridine, 2-chloro-6-(trichloromethyl)-|UNII-8PCE86U01W|1135442-91-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024216 https://doi.org/10.22427/NTP-DATA-DTXSID0024216
ERPathway2016 ERPathway2016_1363 Nitrapyrin 1929-82-4 DTXSID0024216 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=CC(=N1)C(Cl)(Cl)Cl Nitrapyrin 1929-82-4|Nitrapyrin|2-Chloro-6-(trichloromethyl)pyridine|2-Chloro-6-trichloromethyl pyridine|5-20-05-00500|BRN 1618997|Caswell No. 217|EINECS 217-682-2|EPA Pesticide Chemical Code 069203|Formulation 56 (Nitrapyrin)|N-Serve|N-Serve nitrogen stabilizer|Nitra|Nitrapyrine|Pyridine, 2-chloro-6-(trichloromethyl)-|UNII-8PCE86U01W|1135442-91-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024216 https://doi.org/10.22427/NTP-DATA-DTXSID0024216
ERPathway2016 ERPathway2016_1363 Nitrapyrin 1929-82-4 DTXSID0024216 ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC=CC(=N1)C(Cl)(Cl)Cl Nitrapyrin 1929-82-4|Nitrapyrin|2-Chloro-6-(trichloromethyl)pyridine|2-Chloro-6-trichloromethyl pyridine|5-20-05-00500|BRN 1618997|Caswell No. 217|EINECS 217-682-2|EPA Pesticide Chemical Code 069203|Formulation 56 (Nitrapyrin)|N-Serve|N-Serve nitrogen stabilizer|Nitra|Nitrapyrine|Pyridine, 2-chloro-6-(trichloromethyl)-|UNII-8PCE86U01W|1135442-91-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024216 https://doi.org/10.22427/NTP-DATA-DTXSID0024216
ERPathway2016 ERPathway2016_1363 Nitrapyrin 1929-82-4 DTXSID0024216 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=CC(=N1)C(Cl)(Cl)Cl Nitrapyrin 1929-82-4|Nitrapyrin|2-Chloro-6-(trichloromethyl)pyridine|2-Chloro-6-trichloromethyl pyridine|5-20-05-00500|BRN 1618997|Caswell No. 217|EINECS 217-682-2|EPA Pesticide Chemical Code 069203|Formulation 56 (Nitrapyrin)|N-Serve|N-Serve nitrogen stabilizer|Nitra|Nitrapyrine|Pyridine, 2-chloro-6-(trichloromethyl)-|UNII-8PCE86U01W|1135442-91-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024216 https://doi.org/10.22427/NTP-DATA-DTXSID0024216
ARPathway2016 ARPathway2016_818 Nitrilotriacetic acid 139-13-9 DTXSID6020939 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CN(CC(O)=O)CC(O)=O Nitrilotriacetic acid 139-13-9|Nitrilotriacetic acid|4-04-00-02441|Acetic acid, nitrilotri-|Acide nitrilotriacetique|acido nitrilotriacetico|alpha,alpha',alpha''-Trimethylaminetricarboxylic acid|Aminotriacetic acid|BRN 1710776|Chelest NT|Complexon I|Dissolvine A|EINECS 205-355-7|Glycine, N,N-bis(carboxymethyl)-|Hampshire NTA acid|Komplexon I|Kyselina nitrilotrioctova|N,N-Bis(carboxymethyl)glycine|NCI-C02766|Nitrilo-2,2',2''-triacetic acid|Nitrilo-2,2',2"-triacetic acid|Nitrilo-N,N,N-triacetic acid|Nitriloacetate|Nitrilotriacetate|NITRILOTRIESSIGSAEURE|Nitrilotriessigsaure|Nitrilotris(methylenecarboxylic acid)|NSC 2121|NTA|NTA N,N-Bis(carboxymethyl)glycine|Titriplex I|Tri(carboxymethyl)amine|Tricollamic acid|Triglycine|Triglycollamic acid|Tris(hydroxycarbonylmethyl)amine|UNII-KA90006V9D|Versene NTA acid|a,a',a''-Trimethylaminetricarboxylic acid|26627-44-1|26627-45-2|80751-51-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020939
ARPathway2016 ARPathway2016_818 Nitrilotriacetic acid 139-13-9 DTXSID6020939 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)CN(CC(O)=O)CC(O)=O Nitrilotriacetic acid 139-13-9|Nitrilotriacetic acid|4-04-00-02441|Acetic acid, nitrilotri-|Acide nitrilotriacetique|acido nitrilotriacetico|alpha,alpha',alpha''-Trimethylaminetricarboxylic acid|Aminotriacetic acid|BRN 1710776|Chelest NT|Complexon I|Dissolvine A|EINECS 205-355-7|Glycine, N,N-bis(carboxymethyl)-|Hampshire NTA acid|Komplexon I|Kyselina nitrilotrioctova|N,N-Bis(carboxymethyl)glycine|NCI-C02766|Nitrilo-2,2',2''-triacetic acid|Nitrilo-2,2',2"-triacetic acid|Nitrilo-N,N,N-triacetic acid|Nitriloacetate|Nitrilotriacetate|NITRILOTRIESSIGSAEURE|Nitrilotriessigsaure|Nitrilotris(methylenecarboxylic acid)|NSC 2121|NTA|NTA N,N-Bis(carboxymethyl)glycine|Titriplex I|Tri(carboxymethyl)amine|Tricollamic acid|Triglycine|Triglycollamic acid|Tris(hydroxycarbonylmethyl)amine|UNII-KA90006V9D|Versene NTA acid|a,a',a''-Trimethylaminetricarboxylic acid|26627-44-1|26627-45-2|80751-51-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020939
ARPathway2016 ARPathway2016_818 Nitrilotriacetic acid 139-13-9 DTXSID6020939 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)CN(CC(O)=O)CC(O)=O Nitrilotriacetic acid 139-13-9|Nitrilotriacetic acid|4-04-00-02441|Acetic acid, nitrilotri-|Acide nitrilotriacetique|acido nitrilotriacetico|alpha,alpha',alpha''-Trimethylaminetricarboxylic acid|Aminotriacetic acid|BRN 1710776|Chelest NT|Complexon I|Dissolvine A|EINECS 205-355-7|Glycine, N,N-bis(carboxymethyl)-|Hampshire NTA acid|Komplexon I|Kyselina nitrilotrioctova|N,N-Bis(carboxymethyl)glycine|NCI-C02766|Nitrilo-2,2',2''-triacetic acid|Nitrilo-2,2',2"-triacetic acid|Nitrilo-N,N,N-triacetic acid|Nitriloacetate|Nitrilotriacetate|NITRILOTRIESSIGSAEURE|Nitrilotriessigsaure|Nitrilotris(methylenecarboxylic acid)|NSC 2121|NTA|NTA N,N-Bis(carboxymethyl)glycine|Titriplex I|Tri(carboxymethyl)amine|Tricollamic acid|Triglycine|Triglycollamic acid|Tris(hydroxycarbonylmethyl)amine|UNII-KA90006V9D|Versene NTA acid|a,a',a''-Trimethylaminetricarboxylic acid|26627-44-1|26627-45-2|80751-51-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020939
ARPathway2016 ARPathway2016_818 Nitrilotriacetic acid 139-13-9 DTXSID6020939 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)CN(CC(O)=O)CC(O)=O Nitrilotriacetic acid 139-13-9|Nitrilotriacetic acid|4-04-00-02441|Acetic acid, nitrilotri-|Acide nitrilotriacetique|acido nitrilotriacetico|alpha,alpha',alpha''-Trimethylaminetricarboxylic acid|Aminotriacetic acid|BRN 1710776|Chelest NT|Complexon I|Dissolvine A|EINECS 205-355-7|Glycine, N,N-bis(carboxymethyl)-|Hampshire NTA acid|Komplexon I|Kyselina nitrilotrioctova|N,N-Bis(carboxymethyl)glycine|NCI-C02766|Nitrilo-2,2',2''-triacetic acid|Nitrilo-2,2',2"-triacetic acid|Nitrilo-N,N,N-triacetic acid|Nitriloacetate|Nitrilotriacetate|NITRILOTRIESSIGSAEURE|Nitrilotriessigsaure|Nitrilotris(methylenecarboxylic acid)|NSC 2121|NTA|NTA N,N-Bis(carboxymethyl)glycine|Titriplex I|Tri(carboxymethyl)amine|Tricollamic acid|Triglycine|Triglycollamic acid|Tris(hydroxycarbonylmethyl)amine|UNII-KA90006V9D|Versene NTA acid|a,a',a''-Trimethylaminetricarboxylic acid|26627-44-1|26627-45-2|80751-51-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020939
ERPathway2016 ERPathway2016_353 Nitrilotriacetic acid 139-13-9 DTXSID6020939 A12 ER Pathway Model, Antagonist AC50 2.03210936690551 uM OC(=O)CN(CC(O)=O)CC(O)=O Nitrilotriacetic acid 139-13-9|Nitrilotriacetic acid|4-04-00-02441|Acetic acid, nitrilotri-|Acide nitrilotriacetique|acido nitrilotriacetico|alpha,alpha',alpha''-Trimethylaminetricarboxylic acid|Aminotriacetic acid|BRN 1710776|Chelest NT|Complexon I|Dissolvine A|EINECS 205-355-7|Glycine, N,N-bis(carboxymethyl)-|Hampshire NTA acid|Komplexon I|Kyselina nitrilotrioctova|N,N-Bis(carboxymethyl)glycine|NCI-C02766|Nitrilo-2,2',2''-triacetic acid|Nitrilo-2,2',2"-triacetic acid|Nitrilo-N,N,N-triacetic acid|Nitriloacetate|Nitrilotriacetate|NITRILOTRIESSIGSAEURE|Nitrilotriessigsaure|Nitrilotris(methylenecarboxylic acid)|NSC 2121|NTA|NTA N,N-Bis(carboxymethyl)glycine|Titriplex I|Tri(carboxymethyl)amine|Tricollamic acid|Triglycine|Triglycollamic acid|Tris(hydroxycarbonylmethyl)amine|UNII-KA90006V9D|Versene NTA acid|a,a',a''-Trimethylaminetricarboxylic acid|26627-44-1|26627-45-2|80751-51-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020939
ERPathway2016 ERPathway2016_353 Nitrilotriacetic acid 139-13-9 DTXSID6020939 A12 ER Pathway Model, Antagonist ACC 2.05964522128997 uM OC(=O)CN(CC(O)=O)CC(O)=O Nitrilotriacetic acid 139-13-9|Nitrilotriacetic acid|4-04-00-02441|Acetic acid, nitrilotri-|Acide nitrilotriacetique|acido nitrilotriacetico|alpha,alpha',alpha''-Trimethylaminetricarboxylic acid|Aminotriacetic acid|BRN 1710776|Chelest NT|Complexon I|Dissolvine A|EINECS 205-355-7|Glycine, N,N-bis(carboxymethyl)-|Hampshire NTA acid|Komplexon I|Kyselina nitrilotrioctova|N,N-Bis(carboxymethyl)glycine|NCI-C02766|Nitrilo-2,2',2''-triacetic acid|Nitrilo-2,2',2"-triacetic acid|Nitrilo-N,N,N-triacetic acid|Nitriloacetate|Nitrilotriacetate|NITRILOTRIESSIGSAEURE|Nitrilotriessigsaure|Nitrilotris(methylenecarboxylic acid)|NSC 2121|NTA|NTA N,N-Bis(carboxymethyl)glycine|Titriplex I|Tri(carboxymethyl)amine|Tricollamic acid|Triglycine|Triglycollamic acid|Tris(hydroxycarbonylmethyl)amine|UNII-KA90006V9D|Versene NTA acid|a,a',a''-Trimethylaminetricarboxylic acid|26627-44-1|26627-45-2|80751-51-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020939
ERPathway2016 ERPathway2016_353 Nitrilotriacetic acid 139-13-9 DTXSID6020939 A12 ER Pathway Model, Agonist Model Score 0.0176 Unitless OC(=O)CN(CC(O)=O)CC(O)=O Nitrilotriacetic acid 139-13-9|Nitrilotriacetic acid|4-04-00-02441|Acetic acid, nitrilotri-|Acide nitrilotriacetique|acido nitrilotriacetico|alpha,alpha',alpha''-Trimethylaminetricarboxylic acid|Aminotriacetic acid|BRN 1710776|Chelest NT|Complexon I|Dissolvine A|EINECS 205-355-7|Glycine, N,N-bis(carboxymethyl)-|Hampshire NTA acid|Komplexon I|Kyselina nitrilotrioctova|N,N-Bis(carboxymethyl)glycine|NCI-C02766|Nitrilo-2,2',2''-triacetic acid|Nitrilo-2,2',2"-triacetic acid|Nitrilo-N,N,N-triacetic acid|Nitriloacetate|Nitrilotriacetate|NITRILOTRIESSIGSAEURE|Nitrilotriessigsaure|Nitrilotris(methylenecarboxylic acid)|NSC 2121|NTA|NTA N,N-Bis(carboxymethyl)glycine|Titriplex I|Tri(carboxymethyl)amine|Tricollamic acid|Triglycine|Triglycollamic acid|Tris(hydroxycarbonylmethyl)amine|UNII-KA90006V9D|Versene NTA acid|a,a',a''-Trimethylaminetricarboxylic acid|26627-44-1|26627-45-2|80751-51-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020939
ERPathway2016 ERPathway2016_353 Nitrilotriacetic acid 139-13-9 DTXSID6020939 A12 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CN(CC(O)=O)CC(O)=O Nitrilotriacetic acid 139-13-9|Nitrilotriacetic acid|4-04-00-02441|Acetic acid, nitrilotri-|Acide nitrilotriacetique|acido nitrilotriacetico|alpha,alpha',alpha''-Trimethylaminetricarboxylic acid|Aminotriacetic acid|BRN 1710776|Chelest NT|Complexon I|Dissolvine A|EINECS 205-355-7|Glycine, N,N-bis(carboxymethyl)-|Hampshire NTA acid|Komplexon I|Kyselina nitrilotrioctova|N,N-Bis(carboxymethyl)glycine|NCI-C02766|Nitrilo-2,2',2''-triacetic acid|Nitrilo-2,2',2"-triacetic acid|Nitrilo-N,N,N-triacetic acid|Nitriloacetate|Nitrilotriacetate|NITRILOTRIESSIGSAEURE|Nitrilotriessigsaure|Nitrilotris(methylenecarboxylic acid)|NSC 2121|NTA|NTA N,N-Bis(carboxymethyl)glycine|Titriplex I|Tri(carboxymethyl)amine|Tricollamic acid|Triglycine|Triglycollamic acid|Tris(hydroxycarbonylmethyl)amine|UNII-KA90006V9D|Versene NTA acid|a,a',a''-Trimethylaminetricarboxylic acid|26627-44-1|26627-45-2|80751-51-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020939
ERPathway2016 ERPathway2016_353 Nitrilotriacetic acid 139-13-9 DTXSID6020939 A12 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)CN(CC(O)=O)CC(O)=O Nitrilotriacetic acid 139-13-9|Nitrilotriacetic acid|4-04-00-02441|Acetic acid, nitrilotri-|Acide nitrilotriacetique|acido nitrilotriacetico|alpha,alpha',alpha''-Trimethylaminetricarboxylic acid|Aminotriacetic acid|BRN 1710776|Chelest NT|Complexon I|Dissolvine A|EINECS 205-355-7|Glycine, N,N-bis(carboxymethyl)-|Hampshire NTA acid|Komplexon I|Kyselina nitrilotrioctova|N,N-Bis(carboxymethyl)glycine|NCI-C02766|Nitrilo-2,2',2''-triacetic acid|Nitrilo-2,2',2"-triacetic acid|Nitrilo-N,N,N-triacetic acid|Nitriloacetate|Nitrilotriacetate|NITRILOTRIESSIGSAEURE|Nitrilotriessigsaure|Nitrilotris(methylenecarboxylic acid)|NSC 2121|NTA|NTA N,N-Bis(carboxymethyl)glycine|Titriplex I|Tri(carboxymethyl)amine|Tricollamic acid|Triglycine|Triglycollamic acid|Tris(hydroxycarbonylmethyl)amine|UNII-KA90006V9D|Versene NTA acid|a,a',a''-Trimethylaminetricarboxylic acid|26627-44-1|26627-45-2|80751-51-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020939
ERPathway2016 ERPathway2016_353 Nitrilotriacetic acid 139-13-9 DTXSID6020939 A12 ER Pathway Model, Antagonist Call Active Unitless OC(=O)CN(CC(O)=O)CC(O)=O Nitrilotriacetic acid 139-13-9|Nitrilotriacetic acid|4-04-00-02441|Acetic acid, nitrilotri-|Acide nitrilotriacetique|acido nitrilotriacetico|alpha,alpha',alpha''-Trimethylaminetricarboxylic acid|Aminotriacetic acid|BRN 1710776|Chelest NT|Complexon I|Dissolvine A|EINECS 205-355-7|Glycine, N,N-bis(carboxymethyl)-|Hampshire NTA acid|Komplexon I|Kyselina nitrilotrioctova|N,N-Bis(carboxymethyl)glycine|NCI-C02766|Nitrilo-2,2',2''-triacetic acid|Nitrilo-2,2',2"-triacetic acid|Nitrilo-N,N,N-triacetic acid|Nitriloacetate|Nitrilotriacetate|NITRILOTRIESSIGSAEURE|Nitrilotriessigsaure|Nitrilotris(methylenecarboxylic acid)|NSC 2121|NTA|NTA N,N-Bis(carboxymethyl)glycine|Titriplex I|Tri(carboxymethyl)amine|Tricollamic acid|Triglycine|Triglycollamic acid|Tris(hydroxycarbonylmethyl)amine|UNII-KA90006V9D|Versene NTA acid|a,a',a''-Trimethylaminetricarboxylic acid|26627-44-1|26627-45-2|80751-51-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020939
ARPathway2016 ARPathway2016_1809 Nitrobenzene 98-95-3 DTXSID3020964 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [O-][N+](=O)C1=CC=CC=C1 Nitrobenzene 98-95-3|Nitrobenzene|BENZENE, NITRO|Benzene, nitro-|Caswell No. 600|EINECS 202-716-0|EPA Pesticide Chemical Code 056501|Essence of Mirbane|Essence of Myrbane|Mirbane oil|MONONITROBENZENE|NCI-C60082|nitrobenceno|Nitrobenzeen|Nitrobenzen|Nitrobenzol|NSC 9573|Oil of Mirbane|Oil of Myrbane|p-Nitrobenzene|RCRA waste number U169|UN 1662|UNII-E57JCN6SSY https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020964 https://doi.org/10.22427/NTP-DATA-DTXSID3020964
ARPathway2016 ARPathway2016_1809 Nitrobenzene 98-95-3 DTXSID3020964 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)C1=CC=CC=C1 Nitrobenzene 98-95-3|Nitrobenzene|BENZENE, NITRO|Benzene, nitro-|Caswell No. 600|EINECS 202-716-0|EPA Pesticide Chemical Code 056501|Essence of Mirbane|Essence of Myrbane|Mirbane oil|MONONITROBENZENE|NCI-C60082|nitrobenceno|Nitrobenzeen|Nitrobenzen|Nitrobenzol|NSC 9573|Oil of Mirbane|Oil of Myrbane|p-Nitrobenzene|RCRA waste number U169|UN 1662|UNII-E57JCN6SSY https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020964 https://doi.org/10.22427/NTP-DATA-DTXSID3020964
ARPathway2016 ARPathway2016_1809 Nitrobenzene 98-95-3 DTXSID3020964 0.0 AR Pathway Model, Agonist Call Inactive Unitless [O-][N+](=O)C1=CC=CC=C1 Nitrobenzene 98-95-3|Nitrobenzene|BENZENE, NITRO|Benzene, nitro-|Caswell No. 600|EINECS 202-716-0|EPA Pesticide Chemical Code 056501|Essence of Mirbane|Essence of Myrbane|Mirbane oil|MONONITROBENZENE|NCI-C60082|nitrobenceno|Nitrobenzeen|Nitrobenzen|Nitrobenzol|NSC 9573|Oil of Mirbane|Oil of Myrbane|p-Nitrobenzene|RCRA waste number U169|UN 1662|UNII-E57JCN6SSY https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020964 https://doi.org/10.22427/NTP-DATA-DTXSID3020964
ARPathway2016 ARPathway2016_1809 Nitrobenzene 98-95-3 DTXSID3020964 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=CC=CC=C1 Nitrobenzene 98-95-3|Nitrobenzene|BENZENE, NITRO|Benzene, nitro-|Caswell No. 600|EINECS 202-716-0|EPA Pesticide Chemical Code 056501|Essence of Mirbane|Essence of Myrbane|Mirbane oil|MONONITROBENZENE|NCI-C60082|nitrobenceno|Nitrobenzeen|Nitrobenzen|Nitrobenzol|NSC 9573|Oil of Mirbane|Oil of Myrbane|p-Nitrobenzene|RCRA waste number U169|UN 1662|UNII-E57JCN6SSY https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020964 https://doi.org/10.22427/NTP-DATA-DTXSID3020964
ERPathway2016 ERPathway2016_820 Nitrobenzene 98-95-3 DTXSID3020964 R6 ER Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)C1=CC=CC=C1 Nitrobenzene 98-95-3|Nitrobenzene|BENZENE, NITRO|Benzene, nitro-|Caswell No. 600|EINECS 202-716-0|EPA Pesticide Chemical Code 056501|Essence of Mirbane|Essence of Myrbane|Mirbane oil|MONONITROBENZENE|NCI-C60082|nitrobenceno|Nitrobenzeen|Nitrobenzen|Nitrobenzol|NSC 9573|Oil of Mirbane|Oil of Myrbane|p-Nitrobenzene|RCRA waste number U169|UN 1662|UNII-E57JCN6SSY https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020964 https://doi.org/10.22427/NTP-DATA-DTXSID3020964
ERPathway2016 ERPathway2016_820 Nitrobenzene 98-95-3 DTXSID3020964 R6 ER Pathway Model, Antagonist Model Score 0 Unitless [O-][N+](=O)C1=CC=CC=C1 Nitrobenzene 98-95-3|Nitrobenzene|BENZENE, NITRO|Benzene, nitro-|Caswell No. 600|EINECS 202-716-0|EPA Pesticide Chemical Code 056501|Essence of Mirbane|Essence of Myrbane|Mirbane oil|MONONITROBENZENE|NCI-C60082|nitrobenceno|Nitrobenzeen|Nitrobenzen|Nitrobenzol|NSC 9573|Oil of Mirbane|Oil of Myrbane|p-Nitrobenzene|RCRA waste number U169|UN 1662|UNII-E57JCN6SSY https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020964 https://doi.org/10.22427/NTP-DATA-DTXSID3020964
ERPathway2016 ERPathway2016_820 Nitrobenzene 98-95-3 DTXSID3020964 R6 ER Pathway Model, Agonist Call Inactive Unitless [O-][N+](=O)C1=CC=CC=C1 Nitrobenzene 98-95-3|Nitrobenzene|BENZENE, NITRO|Benzene, nitro-|Caswell No. 600|EINECS 202-716-0|EPA Pesticide Chemical Code 056501|Essence of Mirbane|Essence of Myrbane|Mirbane oil|MONONITROBENZENE|NCI-C60082|nitrobenceno|Nitrobenzeen|Nitrobenzen|Nitrobenzol|NSC 9573|Oil of Mirbane|Oil of Myrbane|p-Nitrobenzene|RCRA waste number U169|UN 1662|UNII-E57JCN6SSY https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020964 https://doi.org/10.22427/NTP-DATA-DTXSID3020964
ERPathway2016 ERPathway2016_820 Nitrobenzene 98-95-3 DTXSID3020964 R6 ER Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=CC=CC=C1 Nitrobenzene 98-95-3|Nitrobenzene|BENZENE, NITRO|Benzene, nitro-|Caswell No. 600|EINECS 202-716-0|EPA Pesticide Chemical Code 056501|Essence of Mirbane|Essence of Myrbane|Mirbane oil|MONONITROBENZENE|NCI-C60082|nitrobenceno|Nitrobenzeen|Nitrobenzen|Nitrobenzol|NSC 9573|Oil of Mirbane|Oil of Myrbane|p-Nitrobenzene|RCRA waste number U169|UN 1662|UNII-E57JCN6SSY https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020964 https://doi.org/10.22427/NTP-DATA-DTXSID3020964
ARPathway2016 ARPathway2016_1585 Nitroethane 79-24-3 DTXSID8020969 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC[N+]([O-])=O Nitroethane 79-24-3|Nitroethane|1-nitroethane|EINECS 201-188-9|Ethane, nitro-|NITROAETHAN|Nitroetan|nitroetano|Nitroethan|NSC 8800|UN 2842|UNII-6KEL3ZAU0V https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020969 https://doi.org/10.22427/NTP-DATA-DTXSID8020969
ARPathway2016 ARPathway2016_1585 Nitroethane 79-24-3 DTXSID8020969 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC[N+]([O-])=O Nitroethane 79-24-3|Nitroethane|1-nitroethane|EINECS 201-188-9|Ethane, nitro-|NITROAETHAN|Nitroetan|nitroetano|Nitroethan|NSC 8800|UN 2842|UNII-6KEL3ZAU0V https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020969 https://doi.org/10.22427/NTP-DATA-DTXSID8020969
ARPathway2016 ARPathway2016_1585 Nitroethane 79-24-3 DTXSID8020969 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC[N+]([O-])=O Nitroethane 79-24-3|Nitroethane|1-nitroethane|EINECS 201-188-9|Ethane, nitro-|NITROAETHAN|Nitroetan|nitroetano|Nitroethan|NSC 8800|UN 2842|UNII-6KEL3ZAU0V https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020969 https://doi.org/10.22427/NTP-DATA-DTXSID8020969
ARPathway2016 ARPathway2016_1585 Nitroethane 79-24-3 DTXSID8020969 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC[N+]([O-])=O Nitroethane 79-24-3|Nitroethane|1-nitroethane|EINECS 201-188-9|Ethane, nitro-|NITROAETHAN|Nitroetan|nitroetano|Nitroethan|NSC 8800|UN 2842|UNII-6KEL3ZAU0V https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020969 https://doi.org/10.22427/NTP-DATA-DTXSID8020969
ERPathway2016 ERPathway2016_1672 Nitroethane 79-24-3 DTXSID8020969 ER Pathway Model, Agonist Model Score 0 Unitless CC[N+]([O-])=O Nitroethane 79-24-3|Nitroethane|1-nitroethane|EINECS 201-188-9|Ethane, nitro-|NITROAETHAN|Nitroetan|nitroetano|Nitroethan|NSC 8800|UN 2842|UNII-6KEL3ZAU0V https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020969 https://doi.org/10.22427/NTP-DATA-DTXSID8020969
ERPathway2016 ERPathway2016_1672 Nitroethane 79-24-3 DTXSID8020969 ER Pathway Model, Antagonist Model Score 0 Unitless CC[N+]([O-])=O Nitroethane 79-24-3|Nitroethane|1-nitroethane|EINECS 201-188-9|Ethane, nitro-|NITROAETHAN|Nitroetan|nitroetano|Nitroethan|NSC 8800|UN 2842|UNII-6KEL3ZAU0V https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020969 https://doi.org/10.22427/NTP-DATA-DTXSID8020969
ERPathway2016 ERPathway2016_1672 Nitroethane 79-24-3 DTXSID8020969 ER Pathway Model, Agonist Call Inactive Unitless CC[N+]([O-])=O Nitroethane 79-24-3|Nitroethane|1-nitroethane|EINECS 201-188-9|Ethane, nitro-|NITROAETHAN|Nitroetan|nitroetano|Nitroethan|NSC 8800|UN 2842|UNII-6KEL3ZAU0V https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020969 https://doi.org/10.22427/NTP-DATA-DTXSID8020969
ERPathway2016 ERPathway2016_1672 Nitroethane 79-24-3 DTXSID8020969 ER Pathway Model, Antagonist Call Inactive Unitless CC[N+]([O-])=O Nitroethane 79-24-3|Nitroethane|1-nitroethane|EINECS 201-188-9|Ethane, nitro-|NITROAETHAN|Nitroetan|nitroetano|Nitroethan|NSC 8800|UN 2842|UNII-6KEL3ZAU0V https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020969 https://doi.org/10.22427/NTP-DATA-DTXSID8020969
ARPathway2016 ARPathway2016_94 Nitrofen 1836-75-5 DTXSID7020970 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 33.6893022879605 uM [O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1 Nitrofen 1836-75-5|Nitrofen|2,4-Dechlorophenyl p-nitrophenyl ether|2,4-Dichloro-1-(4-nitrophenoxy)benzene|2,4-Dichloro-4'-nitrodiphenyl ether|2,4-Dichloro-4'-nitrophenyl ether|2,4-Dichlorophenyl 4-nitrophenyl ether|2,4-Dichlorophenyl p-nitrophenyl ether|2,4-Dichlorophenyl-4'-nitrophenylether|2,4-Dichlorophenyl-p-nitro phenyl ether|2,4-Dichlorphenyl-4-nitrophenylaether|2,4-Diclorophenyl p-nitrophenyl ether|2',4'-Dichloro-4-nitrobiphenyl ether|2',4'-Dichloro-4-nitrodiphenyl ether|4-(2,4-Dichlorophenoxy)nitrobenzene|4-Nitro-2',4'-dichlorophenyl ether|4'-Nitro-2,4-dichlorodiphenyl ether|Benzene, 2,4-dichloro-(4-nitrophenoxy)-|Benzene, 2,4-dichloro-1-(4-nitrophenoxy)-|BRN 1887356|Caswell No. 323D|EINECS 217-406-0|EPA Pesticide Chemical Code 038201|Ether, 2,4-dichlorophenyl p-nitrophenyl|FW 925|Mezotox|NCI-C00420|Niclofen|NIP|Nitrafen|Nitraphen|Nitrochlor|nitrofen|Nitrofen (pesticide)|Nitrofen [benzene, 2,4-dichloro-1-(4-nitrophenoxy)-]|nitrofene|Nitrophen|Nitrophene|Preparation 125|TOK|TOK (ether)|TOK E|TOK E 25|TOK E 40|Tokkorn|Trizilin|Tri|51274-07-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020970 https://doi.org/10.22427/NTP-DATA-DTXSID7020970
ARPathway2016 ARPathway2016_94 Nitrofen 1836-75-5 DTXSID7020970 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 32.9786938102296 uM [O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1 Nitrofen 1836-75-5|Nitrofen|2,4-Dechlorophenyl p-nitrophenyl ether|2,4-Dichloro-1-(4-nitrophenoxy)benzene|2,4-Dichloro-4'-nitrodiphenyl ether|2,4-Dichloro-4'-nitrophenyl ether|2,4-Dichlorophenyl 4-nitrophenyl ether|2,4-Dichlorophenyl p-nitrophenyl ether|2,4-Dichlorophenyl-4'-nitrophenylether|2,4-Dichlorophenyl-p-nitro phenyl ether|2,4-Dichlorphenyl-4-nitrophenylaether|2,4-Diclorophenyl p-nitrophenyl ether|2',4'-Dichloro-4-nitrobiphenyl ether|2',4'-Dichloro-4-nitrodiphenyl ether|4-(2,4-Dichlorophenoxy)nitrobenzene|4-Nitro-2',4'-dichlorophenyl ether|4'-Nitro-2,4-dichlorodiphenyl ether|Benzene, 2,4-dichloro-(4-nitrophenoxy)-|Benzene, 2,4-dichloro-1-(4-nitrophenoxy)-|BRN 1887356|Caswell No. 323D|EINECS 217-406-0|EPA Pesticide Chemical Code 038201|Ether, 2,4-dichlorophenyl p-nitrophenyl|FW 925|Mezotox|NCI-C00420|Niclofen|NIP|Nitrafen|Nitraphen|Nitrochlor|nitrofen|Nitrofen (pesticide)|Nitrofen [benzene, 2,4-dichloro-1-(4-nitrophenoxy)-]|nitrofene|Nitrophen|Nitrophene|Preparation 125|TOK|TOK (ether)|TOK E|TOK E 25|TOK E 40|Tokkorn|Trizilin|Tri|51274-07-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020970 https://doi.org/10.22427/NTP-DATA-DTXSID7020970
ARPathway2016 ARPathway2016_94 Nitrofen 1836-75-5 DTXSID7020970 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.13 Unitless [O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1 Nitrofen 1836-75-5|Nitrofen|2,4-Dechlorophenyl p-nitrophenyl ether|2,4-Dichloro-1-(4-nitrophenoxy)benzene|2,4-Dichloro-4'-nitrodiphenyl ether|2,4-Dichloro-4'-nitrophenyl ether|2,4-Dichlorophenyl 4-nitrophenyl ether|2,4-Dichlorophenyl p-nitrophenyl ether|2,4-Dichlorophenyl-4'-nitrophenylether|2,4-Dichlorophenyl-p-nitro phenyl ether|2,4-Dichlorphenyl-4-nitrophenylaether|2,4-Diclorophenyl p-nitrophenyl ether|2',4'-Dichloro-4-nitrobiphenyl ether|2',4'-Dichloro-4-nitrodiphenyl ether|4-(2,4-Dichlorophenoxy)nitrobenzene|4-Nitro-2',4'-dichlorophenyl ether|4'-Nitro-2,4-dichlorodiphenyl ether|Benzene, 2,4-dichloro-(4-nitrophenoxy)-|Benzene, 2,4-dichloro-1-(4-nitrophenoxy)-|BRN 1887356|Caswell No. 323D|EINECS 217-406-0|EPA Pesticide Chemical Code 038201|Ether, 2,4-dichlorophenyl p-nitrophenyl|FW 925|Mezotox|NCI-C00420|Niclofen|NIP|Nitrafen|Nitraphen|Nitrochlor|nitrofen|Nitrofen (pesticide)|Nitrofen [benzene, 2,4-dichloro-1-(4-nitrophenoxy)-]|nitrofene|Nitrophen|Nitrophene|Preparation 125|TOK|TOK (ether)|TOK E|TOK E 25|TOK E 40|Tokkorn|Trizilin|Tri|51274-07-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020970 https://doi.org/10.22427/NTP-DATA-DTXSID7020970
ARPathway2016 ARPathway2016_94 Nitrofen 1836-75-5 DTXSID7020970 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1 Nitrofen 1836-75-5|Nitrofen|2,4-Dechlorophenyl p-nitrophenyl ether|2,4-Dichloro-1-(4-nitrophenoxy)benzene|2,4-Dichloro-4'-nitrodiphenyl ether|2,4-Dichloro-4'-nitrophenyl ether|2,4-Dichlorophenyl 4-nitrophenyl ether|2,4-Dichlorophenyl p-nitrophenyl ether|2,4-Dichlorophenyl-4'-nitrophenylether|2,4-Dichlorophenyl-p-nitro phenyl ether|2,4-Dichlorphenyl-4-nitrophenylaether|2,4-Diclorophenyl p-nitrophenyl ether|2',4'-Dichloro-4-nitrobiphenyl ether|2',4'-Dichloro-4-nitrodiphenyl ether|4-(2,4-Dichlorophenoxy)nitrobenzene|4-Nitro-2',4'-dichlorophenyl ether|4'-Nitro-2,4-dichlorodiphenyl ether|Benzene, 2,4-dichloro-(4-nitrophenoxy)-|Benzene, 2,4-dichloro-1-(4-nitrophenoxy)-|BRN 1887356|Caswell No. 323D|EINECS 217-406-0|EPA Pesticide Chemical Code 038201|Ether, 2,4-dichlorophenyl p-nitrophenyl|FW 925|Mezotox|NCI-C00420|Niclofen|NIP|Nitrafen|Nitraphen|Nitrochlor|nitrofen|Nitrofen (pesticide)|Nitrofen [benzene, 2,4-dichloro-1-(4-nitrophenoxy)-]|nitrofene|Nitrophen|Nitrophene|Preparation 125|TOK|TOK (ether)|TOK E|TOK E 25|TOK E 40|Tokkorn|Trizilin|Tri|51274-07-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020970 https://doi.org/10.22427/NTP-DATA-DTXSID7020970
ARPathway2016 ARPathway2016_94 Nitrofen 1836-75-5 DTXSID7020970 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1 Nitrofen 1836-75-5|Nitrofen|2,4-Dechlorophenyl p-nitrophenyl ether|2,4-Dichloro-1-(4-nitrophenoxy)benzene|2,4-Dichloro-4'-nitrodiphenyl ether|2,4-Dichloro-4'-nitrophenyl ether|2,4-Dichlorophenyl 4-nitrophenyl ether|2,4-Dichlorophenyl p-nitrophenyl ether|2,4-Dichlorophenyl-4'-nitrophenylether|2,4-Dichlorophenyl-p-nitro phenyl ether|2,4-Dichlorphenyl-4-nitrophenylaether|2,4-Diclorophenyl p-nitrophenyl ether|2',4'-Dichloro-4-nitrobiphenyl ether|2',4'-Dichloro-4-nitrodiphenyl ether|4-(2,4-Dichlorophenoxy)nitrobenzene|4-Nitro-2',4'-dichlorophenyl ether|4'-Nitro-2,4-dichlorodiphenyl ether|Benzene, 2,4-dichloro-(4-nitrophenoxy)-|Benzene, 2,4-dichloro-1-(4-nitrophenoxy)-|BRN 1887356|Caswell No. 323D|EINECS 217-406-0|EPA Pesticide Chemical Code 038201|Ether, 2,4-dichlorophenyl p-nitrophenyl|FW 925|Mezotox|NCI-C00420|Niclofen|NIP|Nitrafen|Nitraphen|Nitrochlor|nitrofen|Nitrofen (pesticide)|Nitrofen [benzene, 2,4-dichloro-1-(4-nitrophenoxy)-]|nitrofene|Nitrophen|Nitrophene|Preparation 125|TOK|TOK (ether)|TOK E|TOK E 25|TOK E 40|Tokkorn|Trizilin|Tri|51274-07-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020970 https://doi.org/10.22427/NTP-DATA-DTXSID7020970
ARPathway2016 ARPathway2016_94 Nitrofen 1836-75-5 DTXSID7020970 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1 Nitrofen 1836-75-5|Nitrofen|2,4-Dechlorophenyl p-nitrophenyl ether|2,4-Dichloro-1-(4-nitrophenoxy)benzene|2,4-Dichloro-4'-nitrodiphenyl ether|2,4-Dichloro-4'-nitrophenyl ether|2,4-Dichlorophenyl 4-nitrophenyl ether|2,4-Dichlorophenyl p-nitrophenyl ether|2,4-Dichlorophenyl-4'-nitrophenylether|2,4-Dichlorophenyl-p-nitro phenyl ether|2,4-Dichlorphenyl-4-nitrophenylaether|2,4-Diclorophenyl p-nitrophenyl ether|2',4'-Dichloro-4-nitrobiphenyl ether|2',4'-Dichloro-4-nitrodiphenyl ether|4-(2,4-Dichlorophenoxy)nitrobenzene|4-Nitro-2',4'-dichlorophenyl ether|4'-Nitro-2,4-dichlorodiphenyl ether|Benzene, 2,4-dichloro-(4-nitrophenoxy)-|Benzene, 2,4-dichloro-1-(4-nitrophenoxy)-|BRN 1887356|Caswell No. 323D|EINECS 217-406-0|EPA Pesticide Chemical Code 038201|Ether, 2,4-dichlorophenyl p-nitrophenyl|FW 925|Mezotox|NCI-C00420|Niclofen|NIP|Nitrafen|Nitraphen|Nitrochlor|nitrofen|Nitrofen (pesticide)|Nitrofen [benzene, 2,4-dichloro-1-(4-nitrophenoxy)-]|nitrofene|Nitrophen|Nitrophene|Preparation 125|TOK|TOK (ether)|TOK E|TOK E 25|TOK E 40|Tokkorn|Trizilin|Tri|51274-07-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020970 https://doi.org/10.22427/NTP-DATA-DTXSID7020970
ERPathway2016 ERPathway2016_737 Nitrofen 1836-75-5 DTXSID7020970 R6 ER Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1 Nitrofen 1836-75-5|Nitrofen|2,4-Dechlorophenyl p-nitrophenyl ether|2,4-Dichloro-1-(4-nitrophenoxy)benzene|2,4-Dichloro-4'-nitrodiphenyl ether|2,4-Dichloro-4'-nitrophenyl ether|2,4-Dichlorophenyl 4-nitrophenyl ether|2,4-Dichlorophenyl p-nitrophenyl ether|2,4-Dichlorophenyl-4'-nitrophenylether|2,4-Dichlorophenyl-p-nitro phenyl ether|2,4-Dichlorphenyl-4-nitrophenylaether|2,4-Diclorophenyl p-nitrophenyl ether|2',4'-Dichloro-4-nitrobiphenyl ether|2',4'-Dichloro-4-nitrodiphenyl ether|4-(2,4-Dichlorophenoxy)nitrobenzene|4-Nitro-2',4'-dichlorophenyl ether|4'-Nitro-2,4-dichlorodiphenyl ether|Benzene, 2,4-dichloro-(4-nitrophenoxy)-|Benzene, 2,4-dichloro-1-(4-nitrophenoxy)-|BRN 1887356|Caswell No. 323D|EINECS 217-406-0|EPA Pesticide Chemical Code 038201|Ether, 2,4-dichlorophenyl p-nitrophenyl|FW 925|Mezotox|NCI-C00420|Niclofen|NIP|Nitrafen|Nitraphen|Nitrochlor|nitrofen|Nitrofen (pesticide)|Nitrofen [benzene, 2,4-dichloro-1-(4-nitrophenoxy)-]|nitrofene|Nitrophen|Nitrophene|Preparation 125|TOK|TOK (ether)|TOK E|TOK E 25|TOK E 40|Tokkorn|Trizilin|Tri|51274-07-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020970 https://doi.org/10.22427/NTP-DATA-DTXSID7020970
ERPathway2016 ERPathway2016_737 Nitrofen 1836-75-5 DTXSID7020970 R6 ER Pathway Model, Antagonist Model Score 0 Unitless [O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1 Nitrofen 1836-75-5|Nitrofen|2,4-Dechlorophenyl p-nitrophenyl ether|2,4-Dichloro-1-(4-nitrophenoxy)benzene|2,4-Dichloro-4'-nitrodiphenyl ether|2,4-Dichloro-4'-nitrophenyl ether|2,4-Dichlorophenyl 4-nitrophenyl ether|2,4-Dichlorophenyl p-nitrophenyl ether|2,4-Dichlorophenyl-4'-nitrophenylether|2,4-Dichlorophenyl-p-nitro phenyl ether|2,4-Dichlorphenyl-4-nitrophenylaether|2,4-Diclorophenyl p-nitrophenyl ether|2',4'-Dichloro-4-nitrobiphenyl ether|2',4'-Dichloro-4-nitrodiphenyl ether|4-(2,4-Dichlorophenoxy)nitrobenzene|4-Nitro-2',4'-dichlorophenyl ether|4'-Nitro-2,4-dichlorodiphenyl ether|Benzene, 2,4-dichloro-(4-nitrophenoxy)-|Benzene, 2,4-dichloro-1-(4-nitrophenoxy)-|BRN 1887356|Caswell No. 323D|EINECS 217-406-0|EPA Pesticide Chemical Code 038201|Ether, 2,4-dichlorophenyl p-nitrophenyl|FW 925|Mezotox|NCI-C00420|Niclofen|NIP|Nitrafen|Nitraphen|Nitrochlor|nitrofen|Nitrofen (pesticide)|Nitrofen [benzene, 2,4-dichloro-1-(4-nitrophenoxy)-]|nitrofene|Nitrophen|Nitrophene|Preparation 125|TOK|TOK (ether)|TOK E|TOK E 25|TOK E 40|Tokkorn|Trizilin|Tri|51274-07-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020970 https://doi.org/10.22427/NTP-DATA-DTXSID7020970
ERPathway2016 ERPathway2016_737 Nitrofen 1836-75-5 DTXSID7020970 R6 ER Pathway Model, Agonist Call Inactive Unitless [O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1 Nitrofen 1836-75-5|Nitrofen|2,4-Dechlorophenyl p-nitrophenyl ether|2,4-Dichloro-1-(4-nitrophenoxy)benzene|2,4-Dichloro-4'-nitrodiphenyl ether|2,4-Dichloro-4'-nitrophenyl ether|2,4-Dichlorophenyl 4-nitrophenyl ether|2,4-Dichlorophenyl p-nitrophenyl ether|2,4-Dichlorophenyl-4'-nitrophenylether|2,4-Dichlorophenyl-p-nitro phenyl ether|2,4-Dichlorphenyl-4-nitrophenylaether|2,4-Diclorophenyl p-nitrophenyl ether|2',4'-Dichloro-4-nitrobiphenyl ether|2',4'-Dichloro-4-nitrodiphenyl ether|4-(2,4-Dichlorophenoxy)nitrobenzene|4-Nitro-2',4'-dichlorophenyl ether|4'-Nitro-2,4-dichlorodiphenyl ether|Benzene, 2,4-dichloro-(4-nitrophenoxy)-|Benzene, 2,4-dichloro-1-(4-nitrophenoxy)-|BRN 1887356|Caswell No. 323D|EINECS 217-406-0|EPA Pesticide Chemical Code 038201|Ether, 2,4-dichlorophenyl p-nitrophenyl|FW 925|Mezotox|NCI-C00420|Niclofen|NIP|Nitrafen|Nitraphen|Nitrochlor|nitrofen|Nitrofen (pesticide)|Nitrofen [benzene, 2,4-dichloro-1-(4-nitrophenoxy)-]|nitrofene|Nitrophen|Nitrophene|Preparation 125|TOK|TOK (ether)|TOK E|TOK E 25|TOK E 40|Tokkorn|Trizilin|Tri|51274-07-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020970 https://doi.org/10.22427/NTP-DATA-DTXSID7020970
ERPathway2016 ERPathway2016_737 Nitrofen 1836-75-5 DTXSID7020970 R6 ER Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1 Nitrofen 1836-75-5|Nitrofen|2,4-Dechlorophenyl p-nitrophenyl ether|2,4-Dichloro-1-(4-nitrophenoxy)benzene|2,4-Dichloro-4'-nitrodiphenyl ether|2,4-Dichloro-4'-nitrophenyl ether|2,4-Dichlorophenyl 4-nitrophenyl ether|2,4-Dichlorophenyl p-nitrophenyl ether|2,4-Dichlorophenyl-4'-nitrophenylether|2,4-Dichlorophenyl-p-nitro phenyl ether|2,4-Dichlorphenyl-4-nitrophenylaether|2,4-Diclorophenyl p-nitrophenyl ether|2',4'-Dichloro-4-nitrobiphenyl ether|2',4'-Dichloro-4-nitrodiphenyl ether|4-(2,4-Dichlorophenoxy)nitrobenzene|4-Nitro-2',4'-dichlorophenyl ether|4'-Nitro-2,4-dichlorodiphenyl ether|Benzene, 2,4-dichloro-(4-nitrophenoxy)-|Benzene, 2,4-dichloro-1-(4-nitrophenoxy)-|BRN 1887356|Caswell No. 323D|EINECS 217-406-0|EPA Pesticide Chemical Code 038201|Ether, 2,4-dichlorophenyl p-nitrophenyl|FW 925|Mezotox|NCI-C00420|Niclofen|NIP|Nitrafen|Nitraphen|Nitrochlor|nitrofen|Nitrofen (pesticide)|Nitrofen [benzene, 2,4-dichloro-1-(4-nitrophenoxy)-]|nitrofene|Nitrophen|Nitrophene|Preparation 125|TOK|TOK (ether)|TOK E|TOK E 25|TOK E 40|Tokkorn|Trizilin|Tri|51274-07-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020970 https://doi.org/10.22427/NTP-DATA-DTXSID7020970
ARPathway2016 ARPathway2016_1469 Nitrofurantoin 67-20-9 DTXSID7020972 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless [O-][N+](=O)C1=CC=C(O1)C=NN1CC(=O)NC1=O Nitrofurantoin 67-20-9|Nitrofurantoin|1-((5-Nitrofurfurylidene)amino)hydantoin|1-(5-Nitro-2-furfurylidenamino)hydantoin|1-(5-Nitro-2-furfurylideneamino)hydantoin|1-[(5-Nitrofurfurylidene)amino]hydantoin|2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-|5-Nitrofurantoin|Alfuran|Benkfuran|Berkfuran|Berkfurin|Ceduran|Chemiofuran|Cistofuran|Cyantin|Dantafur|EINECS 200-646-5|Fua Med|Fur-ren|Furabid|Furachel|Furadantin|Furadantin Retard|Furadantina MC|Furadantine|Furadantine MC|Furadantine-MC|Furadantoin|Furadoin|Furadoine|Furadonin|Furadonine|Furadoninum|Furadontin|Furagin|Furalan|Furaloid|Furantoin|Furantoina|Furatoin|Furedan|Furobactina|Furophen T|Furophen T-Caps|Gerofuran|Hydantoin, 1-[(5-nitrofurfurylidene)amino]-|Macrobid|Macrodantin|Macrodantina|Macrofuran|Macrofurin|N-(5-Nitro-2-furfurylidene)-1-aminohydantoin|N-(5-Nitro-2-furfurylideno)-1-aminohydantoina|N-(5-Nitro-2-furfurylidine)-1-aminohydantoin|N-(5-Nitrofurfurylidene)-1-aminohydantoin|NCI-C55196|Nierofu|Nifurantin|Nifuretten|Nitrofur-C|Nitrofuradantin|Nitrofurantoin, macroc https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020972 https://doi.org/10.22427/NTP-DATA-DTXSID7020972
ARPathway2016 ARPathway2016_1469 Nitrofurantoin 67-20-9 DTXSID7020972 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)C1=CC=C(O1)C=NN1CC(=O)NC1=O Nitrofurantoin 67-20-9|Nitrofurantoin|1-((5-Nitrofurfurylidene)amino)hydantoin|1-(5-Nitro-2-furfurylidenamino)hydantoin|1-(5-Nitro-2-furfurylideneamino)hydantoin|1-[(5-Nitrofurfurylidene)amino]hydantoin|2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-|5-Nitrofurantoin|Alfuran|Benkfuran|Berkfuran|Berkfurin|Ceduran|Chemiofuran|Cistofuran|Cyantin|Dantafur|EINECS 200-646-5|Fua Med|Fur-ren|Furabid|Furachel|Furadantin|Furadantin Retard|Furadantina MC|Furadantine|Furadantine MC|Furadantine-MC|Furadantoin|Furadoin|Furadoine|Furadonin|Furadonine|Furadoninum|Furadontin|Furagin|Furalan|Furaloid|Furantoin|Furantoina|Furatoin|Furedan|Furobactina|Furophen T|Furophen T-Caps|Gerofuran|Hydantoin, 1-[(5-nitrofurfurylidene)amino]-|Macrobid|Macrodantin|Macrodantina|Macrofuran|Macrofurin|N-(5-Nitro-2-furfurylidene)-1-aminohydantoin|N-(5-Nitro-2-furfurylideno)-1-aminohydantoina|N-(5-Nitro-2-furfurylidine)-1-aminohydantoin|N-(5-Nitrofurfurylidene)-1-aminohydantoin|NCI-C55196|Nierofu|Nifurantin|Nifuretten|Nitrofur-C|Nitrofuradantin|Nitrofurantoin, macroc https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020972 https://doi.org/10.22427/NTP-DATA-DTXSID7020972
ARPathway2016 ARPathway2016_1469 Nitrofurantoin 67-20-9 DTXSID7020972 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless [O-][N+](=O)C1=CC=C(O1)C=NN1CC(=O)NC1=O Nitrofurantoin 67-20-9|Nitrofurantoin|1-((5-Nitrofurfurylidene)amino)hydantoin|1-(5-Nitro-2-furfurylidenamino)hydantoin|1-(5-Nitro-2-furfurylideneamino)hydantoin|1-[(5-Nitrofurfurylidene)amino]hydantoin|2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-|5-Nitrofurantoin|Alfuran|Benkfuran|Berkfuran|Berkfurin|Ceduran|Chemiofuran|Cistofuran|Cyantin|Dantafur|EINECS 200-646-5|Fua Med|Fur-ren|Furabid|Furachel|Furadantin|Furadantin Retard|Furadantina MC|Furadantine|Furadantine MC|Furadantine-MC|Furadantoin|Furadoin|Furadoine|Furadonin|Furadonine|Furadoninum|Furadontin|Furagin|Furalan|Furaloid|Furantoin|Furantoina|Furatoin|Furedan|Furobactina|Furophen T|Furophen T-Caps|Gerofuran|Hydantoin, 1-[(5-nitrofurfurylidene)amino]-|Macrobid|Macrodantin|Macrodantina|Macrofuran|Macrofurin|N-(5-Nitro-2-furfurylidene)-1-aminohydantoin|N-(5-Nitro-2-furfurylideno)-1-aminohydantoina|N-(5-Nitro-2-furfurylidine)-1-aminohydantoin|N-(5-Nitrofurfurylidene)-1-aminohydantoin|NCI-C55196|Nierofu|Nifurantin|Nifuretten|Nitrofur-C|Nitrofuradantin|Nitrofurantoin, macroc https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020972 https://doi.org/10.22427/NTP-DATA-DTXSID7020972
ARPathway2016 ARPathway2016_1469 Nitrofurantoin 67-20-9 DTXSID7020972 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=CC=C(O1)C=NN1CC(=O)NC1=O Nitrofurantoin 67-20-9|Nitrofurantoin|1-((5-Nitrofurfurylidene)amino)hydantoin|1-(5-Nitro-2-furfurylidenamino)hydantoin|1-(5-Nitro-2-furfurylideneamino)hydantoin|1-[(5-Nitrofurfurylidene)amino]hydantoin|2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-|5-Nitrofurantoin|Alfuran|Benkfuran|Berkfuran|Berkfurin|Ceduran|Chemiofuran|Cistofuran|Cyantin|Dantafur|EINECS 200-646-5|Fua Med|Fur-ren|Furabid|Furachel|Furadantin|Furadantin Retard|Furadantina MC|Furadantine|Furadantine MC|Furadantine-MC|Furadantoin|Furadoin|Furadoine|Furadonin|Furadonine|Furadoninum|Furadontin|Furagin|Furalan|Furaloid|Furantoin|Furantoina|Furatoin|Furedan|Furobactina|Furophen T|Furophen T-Caps|Gerofuran|Hydantoin, 1-[(5-nitrofurfurylidene)amino]-|Macrobid|Macrodantin|Macrodantina|Macrofuran|Macrofurin|N-(5-Nitro-2-furfurylidene)-1-aminohydantoin|N-(5-Nitro-2-furfurylideno)-1-aminohydantoina|N-(5-Nitro-2-furfurylidine)-1-aminohydantoin|N-(5-Nitrofurfurylidene)-1-aminohydantoin|NCI-C55196|Nierofu|Nifurantin|Nifuretten|Nitrofur-C|Nitrofuradantin|Nitrofurantoin, macroc https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020972 https://doi.org/10.22427/NTP-DATA-DTXSID7020972
ERPathway2016 ERPathway2016_547 Nitrofurantoin 67-20-9 DTXSID7020972 ER Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)C1=CC=C(O1)C=NN1CC(=O)NC1=O Nitrofurantoin 67-20-9|Nitrofurantoin|1-((5-Nitrofurfurylidene)amino)hydantoin|1-(5-Nitro-2-furfurylidenamino)hydantoin|1-(5-Nitro-2-furfurylideneamino)hydantoin|1-[(5-Nitrofurfurylidene)amino]hydantoin|2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-|5-Nitrofurantoin|Alfuran|Benkfuran|Berkfuran|Berkfurin|Ceduran|Chemiofuran|Cistofuran|Cyantin|Dantafur|EINECS 200-646-5|Fua Med|Fur-ren|Furabid|Furachel|Furadantin|Furadantin Retard|Furadantina MC|Furadantine|Furadantine MC|Furadantine-MC|Furadantoin|Furadoin|Furadoine|Furadonin|Furadonine|Furadoninum|Furadontin|Furagin|Furalan|Furaloid|Furantoin|Furantoina|Furatoin|Furedan|Furobactina|Furophen T|Furophen T-Caps|Gerofuran|Hydantoin, 1-[(5-nitrofurfurylidene)amino]-|Macrobid|Macrodantin|Macrodantina|Macrofuran|Macrofurin|N-(5-Nitro-2-furfurylidene)-1-aminohydantoin|N-(5-Nitro-2-furfurylideno)-1-aminohydantoina|N-(5-Nitro-2-furfurylidine)-1-aminohydantoin|N-(5-Nitrofurfurylidene)-1-aminohydantoin|NCI-C55196|Nierofu|Nifurantin|Nifuretten|Nitrofur-C|Nitrofuradantin|Nitrofurantoin, macroc https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020972 https://doi.org/10.22427/NTP-DATA-DTXSID7020972
ERPathway2016 ERPathway2016_547 Nitrofurantoin 67-20-9 DTXSID7020972 ER Pathway Model, Antagonist Model Score 0 Unitless [O-][N+](=O)C1=CC=C(O1)C=NN1CC(=O)NC1=O Nitrofurantoin 67-20-9|Nitrofurantoin|1-((5-Nitrofurfurylidene)amino)hydantoin|1-(5-Nitro-2-furfurylidenamino)hydantoin|1-(5-Nitro-2-furfurylideneamino)hydantoin|1-[(5-Nitrofurfurylidene)amino]hydantoin|2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-|5-Nitrofurantoin|Alfuran|Benkfuran|Berkfuran|Berkfurin|Ceduran|Chemiofuran|Cistofuran|Cyantin|Dantafur|EINECS 200-646-5|Fua Med|Fur-ren|Furabid|Furachel|Furadantin|Furadantin Retard|Furadantina MC|Furadantine|Furadantine MC|Furadantine-MC|Furadantoin|Furadoin|Furadoine|Furadonin|Furadonine|Furadoninum|Furadontin|Furagin|Furalan|Furaloid|Furantoin|Furantoina|Furatoin|Furedan|Furobactina|Furophen T|Furophen T-Caps|Gerofuran|Hydantoin, 1-[(5-nitrofurfurylidene)amino]-|Macrobid|Macrodantin|Macrodantina|Macrofuran|Macrofurin|N-(5-Nitro-2-furfurylidene)-1-aminohydantoin|N-(5-Nitro-2-furfurylideno)-1-aminohydantoina|N-(5-Nitro-2-furfurylidine)-1-aminohydantoin|N-(5-Nitrofurfurylidene)-1-aminohydantoin|NCI-C55196|Nierofu|Nifurantin|Nifuretten|Nitrofur-C|Nitrofuradantin|Nitrofurantoin, macroc https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020972 https://doi.org/10.22427/NTP-DATA-DTXSID7020972
ERPathway2016 ERPathway2016_547 Nitrofurantoin 67-20-9 DTXSID7020972 ER Pathway Model, Agonist Call Inactive Unitless [O-][N+](=O)C1=CC=C(O1)C=NN1CC(=O)NC1=O Nitrofurantoin 67-20-9|Nitrofurantoin|1-((5-Nitrofurfurylidene)amino)hydantoin|1-(5-Nitro-2-furfurylidenamino)hydantoin|1-(5-Nitro-2-furfurylideneamino)hydantoin|1-[(5-Nitrofurfurylidene)amino]hydantoin|2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-|5-Nitrofurantoin|Alfuran|Benkfuran|Berkfuran|Berkfurin|Ceduran|Chemiofuran|Cistofuran|Cyantin|Dantafur|EINECS 200-646-5|Fua Med|Fur-ren|Furabid|Furachel|Furadantin|Furadantin Retard|Furadantina MC|Furadantine|Furadantine MC|Furadantine-MC|Furadantoin|Furadoin|Furadoine|Furadonin|Furadonine|Furadoninum|Furadontin|Furagin|Furalan|Furaloid|Furantoin|Furantoina|Furatoin|Furedan|Furobactina|Furophen T|Furophen T-Caps|Gerofuran|Hydantoin, 1-[(5-nitrofurfurylidene)amino]-|Macrobid|Macrodantin|Macrodantina|Macrofuran|Macrofurin|N-(5-Nitro-2-furfurylidene)-1-aminohydantoin|N-(5-Nitro-2-furfurylideno)-1-aminohydantoina|N-(5-Nitro-2-furfurylidine)-1-aminohydantoin|N-(5-Nitrofurfurylidene)-1-aminohydantoin|NCI-C55196|Nierofu|Nifurantin|Nifuretten|Nitrofur-C|Nitrofuradantin|Nitrofurantoin, macroc https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020972 https://doi.org/10.22427/NTP-DATA-DTXSID7020972
ERPathway2016 ERPathway2016_547 Nitrofurantoin 67-20-9 DTXSID7020972 ER Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)C1=CC=C(O1)C=NN1CC(=O)NC1=O Nitrofurantoin 67-20-9|Nitrofurantoin|1-((5-Nitrofurfurylidene)amino)hydantoin|1-(5-Nitro-2-furfurylidenamino)hydantoin|1-(5-Nitro-2-furfurylideneamino)hydantoin|1-[(5-Nitrofurfurylidene)amino]hydantoin|2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-|5-Nitrofurantoin|Alfuran|Benkfuran|Berkfuran|Berkfurin|Ceduran|Chemiofuran|Cistofuran|Cyantin|Dantafur|EINECS 200-646-5|Fua Med|Fur-ren|Furabid|Furachel|Furadantin|Furadantin Retard|Furadantina MC|Furadantine|Furadantine MC|Furadantine-MC|Furadantoin|Furadoin|Furadoine|Furadonin|Furadonine|Furadoninum|Furadontin|Furagin|Furalan|Furaloid|Furantoin|Furantoina|Furatoin|Furedan|Furobactina|Furophen T|Furophen T-Caps|Gerofuran|Hydantoin, 1-[(5-nitrofurfurylidene)amino]-|Macrobid|Macrodantin|Macrodantina|Macrofuran|Macrofurin|N-(5-Nitro-2-furfurylidene)-1-aminohydantoin|N-(5-Nitro-2-furfurylideno)-1-aminohydantoina|N-(5-Nitro-2-furfurylidine)-1-aminohydantoin|N-(5-Nitrofurfurylidene)-1-aminohydantoin|NCI-C55196|Nierofu|Nifurantin|Nifuretten|Nitrofur-C|Nitrofuradantin|Nitrofurantoin, macroc https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020972 https://doi.org/10.22427/NTP-DATA-DTXSID7020972
ARPathway2016 ARPathway2016_1383 Nitrofurazone 59-87-0 DTXSID5020944 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O Nitrofurazone 59-87-0|Nitrofurazone|(5-Nitro-2-furfurylidenamino)urea|1-(5-Nitro-2-furfurylidene)semicarbazide|2-Furaldehyde, 5-nitro-, semicarbazone|2-Furancarboxaldehyde, 5-nitro-, semicarbazone|2-Furancarboxaldehyde, 5-nitro-,semicarbazone|2((5-Nitro-2-furanyl)methylene)hydrazinecarboxamide|2NP-SCA|5-NITRO-2-FURALDEHYD-SEMICARBAZON|5-Nitro-2-furaldehyde semicarbazone|5-Nitro-2-furancarboxaldehyde semicarbazone|5-Nitro-2-furfural semicarbazone|5-Nitro-2-furfuraldehyde semicarbazone|5-Nitrofuraldehyde semicarbazide|5-Nitrofuran-2-aldehyde semicarbazone|5-Nitrofurazone|5-Nitrofurfural semicarbazone|6-Nitrofuraldehyde semicarbazide|Actin-N|Aldomycin|Alfucin|Babrocid|Becafurazone|Biofuracina|Biofurea|BRN 0086403|Chemofuran|Cocafurin|Coxistat|Dermofural|Dynazone|EINECS 200-443-1|Eldezol|Eldezol F-6|Fedacin|Flavazone|Fracine|Fura-Septin|Furacilin|Furacilinum|Furacillin|Furacin|FURACIN OINTMENT|Furacin-E|Furacin-HC|Furacine|Furacinetten|Furacoccid|Furacort|Furacycline|Furaderm|Furagent|Furalcyn|Furaldon|Furalone|Furametral|Furan-ofteno|Furaplast|Fur|60051-85-6|8027-71-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020944 https://doi.org/10.22427/NTP-DATA-DTXSID5020944
ARPathway2016 ARPathway2016_1383 Nitrofurazone 59-87-0 DTXSID5020944 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O Nitrofurazone 59-87-0|Nitrofurazone|(5-Nitro-2-furfurylidenamino)urea|1-(5-Nitro-2-furfurylidene)semicarbazide|2-Furaldehyde, 5-nitro-, semicarbazone|2-Furancarboxaldehyde, 5-nitro-, semicarbazone|2-Furancarboxaldehyde, 5-nitro-,semicarbazone|2((5-Nitro-2-furanyl)methylene)hydrazinecarboxamide|2NP-SCA|5-NITRO-2-FURALDEHYD-SEMICARBAZON|5-Nitro-2-furaldehyde semicarbazone|5-Nitro-2-furancarboxaldehyde semicarbazone|5-Nitro-2-furfural semicarbazone|5-Nitro-2-furfuraldehyde semicarbazone|5-Nitrofuraldehyde semicarbazide|5-Nitrofuran-2-aldehyde semicarbazone|5-Nitrofurazone|5-Nitrofurfural semicarbazone|6-Nitrofuraldehyde semicarbazide|Actin-N|Aldomycin|Alfucin|Babrocid|Becafurazone|Biofuracina|Biofurea|BRN 0086403|Chemofuran|Cocafurin|Coxistat|Dermofural|Dynazone|EINECS 200-443-1|Eldezol|Eldezol F-6|Fedacin|Flavazone|Fracine|Fura-Septin|Furacilin|Furacilinum|Furacillin|Furacin|FURACIN OINTMENT|Furacin-E|Furacin-HC|Furacine|Furacinetten|Furacoccid|Furacort|Furacycline|Furaderm|Furagent|Furalcyn|Furaldon|Furalone|Furametral|Furan-ofteno|Furaplast|Fur|60051-85-6|8027-71-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020944 https://doi.org/10.22427/NTP-DATA-DTXSID5020944
ARPathway2016 ARPathway2016_1383 Nitrofurazone 59-87-0 DTXSID5020944 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O Nitrofurazone 59-87-0|Nitrofurazone|(5-Nitro-2-furfurylidenamino)urea|1-(5-Nitro-2-furfurylidene)semicarbazide|2-Furaldehyde, 5-nitro-, semicarbazone|2-Furancarboxaldehyde, 5-nitro-, semicarbazone|2-Furancarboxaldehyde, 5-nitro-,semicarbazone|2((5-Nitro-2-furanyl)methylene)hydrazinecarboxamide|2NP-SCA|5-NITRO-2-FURALDEHYD-SEMICARBAZON|5-Nitro-2-furaldehyde semicarbazone|5-Nitro-2-furancarboxaldehyde semicarbazone|5-Nitro-2-furfural semicarbazone|5-Nitro-2-furfuraldehyde semicarbazone|5-Nitrofuraldehyde semicarbazide|5-Nitrofuran-2-aldehyde semicarbazone|5-Nitrofurazone|5-Nitrofurfural semicarbazone|6-Nitrofuraldehyde semicarbazide|Actin-N|Aldomycin|Alfucin|Babrocid|Becafurazone|Biofuracina|Biofurea|BRN 0086403|Chemofuran|Cocafurin|Coxistat|Dermofural|Dynazone|EINECS 200-443-1|Eldezol|Eldezol F-6|Fedacin|Flavazone|Fracine|Fura-Septin|Furacilin|Furacilinum|Furacillin|Furacin|FURACIN OINTMENT|Furacin-E|Furacin-HC|Furacine|Furacinetten|Furacoccid|Furacort|Furacycline|Furaderm|Furagent|Furalcyn|Furaldon|Furalone|Furametral|Furan-ofteno|Furaplast|Fur|60051-85-6|8027-71-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020944 https://doi.org/10.22427/NTP-DATA-DTXSID5020944
ARPathway2016 ARPathway2016_1383 Nitrofurazone 59-87-0 DTXSID5020944 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O Nitrofurazone 59-87-0|Nitrofurazone|(5-Nitro-2-furfurylidenamino)urea|1-(5-Nitro-2-furfurylidene)semicarbazide|2-Furaldehyde, 5-nitro-, semicarbazone|2-Furancarboxaldehyde, 5-nitro-, semicarbazone|2-Furancarboxaldehyde, 5-nitro-,semicarbazone|2((5-Nitro-2-furanyl)methylene)hydrazinecarboxamide|2NP-SCA|5-NITRO-2-FURALDEHYD-SEMICARBAZON|5-Nitro-2-furaldehyde semicarbazone|5-Nitro-2-furancarboxaldehyde semicarbazone|5-Nitro-2-furfural semicarbazone|5-Nitro-2-furfuraldehyde semicarbazone|5-Nitrofuraldehyde semicarbazide|5-Nitrofuran-2-aldehyde semicarbazone|5-Nitrofurazone|5-Nitrofurfural semicarbazone|6-Nitrofuraldehyde semicarbazide|Actin-N|Aldomycin|Alfucin|Babrocid|Becafurazone|Biofuracina|Biofurea|BRN 0086403|Chemofuran|Cocafurin|Coxistat|Dermofural|Dynazone|EINECS 200-443-1|Eldezol|Eldezol F-6|Fedacin|Flavazone|Fracine|Fura-Septin|Furacilin|Furacilinum|Furacillin|Furacin|FURACIN OINTMENT|Furacin-E|Furacin-HC|Furacine|Furacinetten|Furacoccid|Furacort|Furacycline|Furaderm|Furagent|Furalcyn|Furaldon|Furalone|Furametral|Furan-ofteno|Furaplast|Fur|60051-85-6|8027-71-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020944 https://doi.org/10.22427/NTP-DATA-DTXSID5020944
ERPathway2016 ERPathway2016_953 Nitrofurazone 59-87-0 DTXSID5020944 ER Pathway Model, Agonist Model Score 0 Unitless NC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O Nitrofurazone 59-87-0|Nitrofurazone|(5-Nitro-2-furfurylidenamino)urea|1-(5-Nitro-2-furfurylidene)semicarbazide|2-Furaldehyde, 5-nitro-, semicarbazone|2-Furancarboxaldehyde, 5-nitro-, semicarbazone|2-Furancarboxaldehyde, 5-nitro-,semicarbazone|2((5-Nitro-2-furanyl)methylene)hydrazinecarboxamide|2NP-SCA|5-NITRO-2-FURALDEHYD-SEMICARBAZON|5-Nitro-2-furaldehyde semicarbazone|5-Nitro-2-furancarboxaldehyde semicarbazone|5-Nitro-2-furfural semicarbazone|5-Nitro-2-furfuraldehyde semicarbazone|5-Nitrofuraldehyde semicarbazide|5-Nitrofuran-2-aldehyde semicarbazone|5-Nitrofurazone|5-Nitrofurfural semicarbazone|6-Nitrofuraldehyde semicarbazide|Actin-N|Aldomycin|Alfucin|Babrocid|Becafurazone|Biofuracina|Biofurea|BRN 0086403|Chemofuran|Cocafurin|Coxistat|Dermofural|Dynazone|EINECS 200-443-1|Eldezol|Eldezol F-6|Fedacin|Flavazone|Fracine|Fura-Septin|Furacilin|Furacilinum|Furacillin|Furacin|FURACIN OINTMENT|Furacin-E|Furacin-HC|Furacine|Furacinetten|Furacoccid|Furacort|Furacycline|Furaderm|Furagent|Furalcyn|Furaldon|Furalone|Furametral|Furan-ofteno|Furaplast|Fur|60051-85-6|8027-71-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020944 https://doi.org/10.22427/NTP-DATA-DTXSID5020944
ERPathway2016 ERPathway2016_953 Nitrofurazone 59-87-0 DTXSID5020944 ER Pathway Model, Antagonist Model Score 0 Unitless NC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O Nitrofurazone 59-87-0|Nitrofurazone|(5-Nitro-2-furfurylidenamino)urea|1-(5-Nitro-2-furfurylidene)semicarbazide|2-Furaldehyde, 5-nitro-, semicarbazone|2-Furancarboxaldehyde, 5-nitro-, semicarbazone|2-Furancarboxaldehyde, 5-nitro-,semicarbazone|2((5-Nitro-2-furanyl)methylene)hydrazinecarboxamide|2NP-SCA|5-NITRO-2-FURALDEHYD-SEMICARBAZON|5-Nitro-2-furaldehyde semicarbazone|5-Nitro-2-furancarboxaldehyde semicarbazone|5-Nitro-2-furfural semicarbazone|5-Nitro-2-furfuraldehyde semicarbazone|5-Nitrofuraldehyde semicarbazide|5-Nitrofuran-2-aldehyde semicarbazone|5-Nitrofurazone|5-Nitrofurfural semicarbazone|6-Nitrofuraldehyde semicarbazide|Actin-N|Aldomycin|Alfucin|Babrocid|Becafurazone|Biofuracina|Biofurea|BRN 0086403|Chemofuran|Cocafurin|Coxistat|Dermofural|Dynazone|EINECS 200-443-1|Eldezol|Eldezol F-6|Fedacin|Flavazone|Fracine|Fura-Septin|Furacilin|Furacilinum|Furacillin|Furacin|FURACIN OINTMENT|Furacin-E|Furacin-HC|Furacine|Furacinetten|Furacoccid|Furacort|Furacycline|Furaderm|Furagent|Furalcyn|Furaldon|Furalone|Furametral|Furan-ofteno|Furaplast|Fur|60051-85-6|8027-71-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020944 https://doi.org/10.22427/NTP-DATA-DTXSID5020944
ERPathway2016 ERPathway2016_953 Nitrofurazone 59-87-0 DTXSID5020944 ER Pathway Model, Agonist Call Inactive Unitless NC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O Nitrofurazone 59-87-0|Nitrofurazone|(5-Nitro-2-furfurylidenamino)urea|1-(5-Nitro-2-furfurylidene)semicarbazide|2-Furaldehyde, 5-nitro-, semicarbazone|2-Furancarboxaldehyde, 5-nitro-, semicarbazone|2-Furancarboxaldehyde, 5-nitro-,semicarbazone|2((5-Nitro-2-furanyl)methylene)hydrazinecarboxamide|2NP-SCA|5-NITRO-2-FURALDEHYD-SEMICARBAZON|5-Nitro-2-furaldehyde semicarbazone|5-Nitro-2-furancarboxaldehyde semicarbazone|5-Nitro-2-furfural semicarbazone|5-Nitro-2-furfuraldehyde semicarbazone|5-Nitrofuraldehyde semicarbazide|5-Nitrofuran-2-aldehyde semicarbazone|5-Nitrofurazone|5-Nitrofurfural semicarbazone|6-Nitrofuraldehyde semicarbazide|Actin-N|Aldomycin|Alfucin|Babrocid|Becafurazone|Biofuracina|Biofurea|BRN 0086403|Chemofuran|Cocafurin|Coxistat|Dermofural|Dynazone|EINECS 200-443-1|Eldezol|Eldezol F-6|Fedacin|Flavazone|Fracine|Fura-Septin|Furacilin|Furacilinum|Furacillin|Furacin|FURACIN OINTMENT|Furacin-E|Furacin-HC|Furacine|Furacinetten|Furacoccid|Furacort|Furacycline|Furaderm|Furagent|Furalcyn|Furaldon|Furalone|Furametral|Furan-ofteno|Furaplast|Fur|60051-85-6|8027-71-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020944 https://doi.org/10.22427/NTP-DATA-DTXSID5020944
ERPathway2016 ERPathway2016_953 Nitrofurazone 59-87-0 DTXSID5020944 ER Pathway Model, Antagonist Call Inactive Unitless NC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O Nitrofurazone 59-87-0|Nitrofurazone|(5-Nitro-2-furfurylidenamino)urea|1-(5-Nitro-2-furfurylidene)semicarbazide|2-Furaldehyde, 5-nitro-, semicarbazone|2-Furancarboxaldehyde, 5-nitro-, semicarbazone|2-Furancarboxaldehyde, 5-nitro-,semicarbazone|2((5-Nitro-2-furanyl)methylene)hydrazinecarboxamide|2NP-SCA|5-NITRO-2-FURALDEHYD-SEMICARBAZON|5-Nitro-2-furaldehyde semicarbazone|5-Nitro-2-furancarboxaldehyde semicarbazone|5-Nitro-2-furfural semicarbazone|5-Nitro-2-furfuraldehyde semicarbazone|5-Nitrofuraldehyde semicarbazide|5-Nitrofuran-2-aldehyde semicarbazone|5-Nitrofurazone|5-Nitrofurfural semicarbazone|6-Nitrofuraldehyde semicarbazide|Actin-N|Aldomycin|Alfucin|Babrocid|Becafurazone|Biofuracina|Biofurea|BRN 0086403|Chemofuran|Cocafurin|Coxistat|Dermofural|Dynazone|EINECS 200-443-1|Eldezol|Eldezol F-6|Fedacin|Flavazone|Fracine|Fura-Septin|Furacilin|Furacilinum|Furacillin|Furacin|FURACIN OINTMENT|Furacin-E|Furacin-HC|Furacine|Furacinetten|Furacoccid|Furacort|Furacycline|Furaderm|Furagent|Furalcyn|Furaldon|Furalone|Furametral|Furan-ofteno|Furaplast|Fur|60051-85-6|8027-71-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020944 https://doi.org/10.22427/NTP-DATA-DTXSID5020944
ARPathway2016 ARPathway2016_1660 N-Methyl-2-pyrrolidone 872-50-4 DTXSID6020856 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN1CCCC1=O N-Methyl-2-pyrrolidone 872-50-4|N-Methyl-2-pyrrolidone|1-Methyl-2-pyrrolidinone|1-Methyl-2-pyrrolidon|1-Methyl-2-pyrrolidone|1-Methyl-5-pyrrolidinone|1-Methylazacyclopentan-2-one|1-Methylpyrrolidinone|1-Methylpyrrolidone|1-metil-2-pirrolidona|2-Pyrolidinone, 1-methyl-|2-Pyrrolidinone, 1-methyl-|2-Pyrrolidone, 1-methyl-|EINECS 212-828-1|M-Pyrol|Microposit 2001|N-Methyl-2-ketopyrrolidine|N-METHYL-2-PYRROLIDINONE|N-METHYL-2-PYRROLIDON|N-methyl-alpha-pyrrolidinone|N-methyl-alpha-pyrrolidone|N-methyl-gamma-butyrolactam|N-Methyl-a-pyrrolidinone|N-Methyl-a-pyrrolidone|N-Methyl-g-butyrolactam|N-Methylbutyrolactam|N-methylpyrrolidin-2-one|N-Methylpyrrolidinone|N-METHYLPYRROLIDONE|NMP|NSC 4594|Pharmasolve|Pyrol M|PYRROLIDIN-2-ONE, 1-METHYL-|UNII-JR9CE63FPM|26138-58-9|53774-35-9|57762-46-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020856 https://doi.org/10.22427/NTP-DATA-DTXSID6020856
ARPathway2016 ARPathway2016_1660 N-Methyl-2-pyrrolidone 872-50-4 DTXSID6020856 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN1CCCC1=O N-Methyl-2-pyrrolidone 872-50-4|N-Methyl-2-pyrrolidone|1-Methyl-2-pyrrolidinone|1-Methyl-2-pyrrolidon|1-Methyl-2-pyrrolidone|1-Methyl-5-pyrrolidinone|1-Methylazacyclopentan-2-one|1-Methylpyrrolidinone|1-Methylpyrrolidone|1-metil-2-pirrolidona|2-Pyrolidinone, 1-methyl-|2-Pyrrolidinone, 1-methyl-|2-Pyrrolidone, 1-methyl-|EINECS 212-828-1|M-Pyrol|Microposit 2001|N-Methyl-2-ketopyrrolidine|N-METHYL-2-PYRROLIDINONE|N-METHYL-2-PYRROLIDON|N-methyl-alpha-pyrrolidinone|N-methyl-alpha-pyrrolidone|N-methyl-gamma-butyrolactam|N-Methyl-a-pyrrolidinone|N-Methyl-a-pyrrolidone|N-Methyl-g-butyrolactam|N-Methylbutyrolactam|N-methylpyrrolidin-2-one|N-Methylpyrrolidinone|N-METHYLPYRROLIDONE|NMP|NSC 4594|Pharmasolve|Pyrol M|PYRROLIDIN-2-ONE, 1-METHYL-|UNII-JR9CE63FPM|26138-58-9|53774-35-9|57762-46-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020856 https://doi.org/10.22427/NTP-DATA-DTXSID6020856
ARPathway2016 ARPathway2016_1660 N-Methyl-2-pyrrolidone 872-50-4 DTXSID6020856 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN1CCCC1=O N-Methyl-2-pyrrolidone 872-50-4|N-Methyl-2-pyrrolidone|1-Methyl-2-pyrrolidinone|1-Methyl-2-pyrrolidon|1-Methyl-2-pyrrolidone|1-Methyl-5-pyrrolidinone|1-Methylazacyclopentan-2-one|1-Methylpyrrolidinone|1-Methylpyrrolidone|1-metil-2-pirrolidona|2-Pyrolidinone, 1-methyl-|2-Pyrrolidinone, 1-methyl-|2-Pyrrolidone, 1-methyl-|EINECS 212-828-1|M-Pyrol|Microposit 2001|N-Methyl-2-ketopyrrolidine|N-METHYL-2-PYRROLIDINONE|N-METHYL-2-PYRROLIDON|N-methyl-alpha-pyrrolidinone|N-methyl-alpha-pyrrolidone|N-methyl-gamma-butyrolactam|N-Methyl-a-pyrrolidinone|N-Methyl-a-pyrrolidone|N-Methyl-g-butyrolactam|N-Methylbutyrolactam|N-methylpyrrolidin-2-one|N-Methylpyrrolidinone|N-METHYLPYRROLIDONE|NMP|NSC 4594|Pharmasolve|Pyrol M|PYRROLIDIN-2-ONE, 1-METHYL-|UNII-JR9CE63FPM|26138-58-9|53774-35-9|57762-46-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020856 https://doi.org/10.22427/NTP-DATA-DTXSID6020856
ARPathway2016 ARPathway2016_1660 N-Methyl-2-pyrrolidone 872-50-4 DTXSID6020856 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN1CCCC1=O N-Methyl-2-pyrrolidone 872-50-4|N-Methyl-2-pyrrolidone|1-Methyl-2-pyrrolidinone|1-Methyl-2-pyrrolidon|1-Methyl-2-pyrrolidone|1-Methyl-5-pyrrolidinone|1-Methylazacyclopentan-2-one|1-Methylpyrrolidinone|1-Methylpyrrolidone|1-metil-2-pirrolidona|2-Pyrolidinone, 1-methyl-|2-Pyrrolidinone, 1-methyl-|2-Pyrrolidone, 1-methyl-|EINECS 212-828-1|M-Pyrol|Microposit 2001|N-Methyl-2-ketopyrrolidine|N-METHYL-2-PYRROLIDINONE|N-METHYL-2-PYRROLIDON|N-methyl-alpha-pyrrolidinone|N-methyl-alpha-pyrrolidone|N-methyl-gamma-butyrolactam|N-Methyl-a-pyrrolidinone|N-Methyl-a-pyrrolidone|N-Methyl-g-butyrolactam|N-Methylbutyrolactam|N-methylpyrrolidin-2-one|N-Methylpyrrolidinone|N-METHYLPYRROLIDONE|NMP|NSC 4594|Pharmasolve|Pyrol M|PYRROLIDIN-2-ONE, 1-METHYL-|UNII-JR9CE63FPM|26138-58-9|53774-35-9|57762-46-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020856 https://doi.org/10.22427/NTP-DATA-DTXSID6020856
ERPathway2016 ERPathway2016_1712 N-Methyl-2-pyrrolidone 872-50-4 DTXSID6020856 ER Pathway Model, Agonist Model Score 0 Unitless CN1CCCC1=O N-Methyl-2-pyrrolidone 872-50-4|N-Methyl-2-pyrrolidone|1-Methyl-2-pyrrolidinone|1-Methyl-2-pyrrolidon|1-Methyl-2-pyrrolidone|1-Methyl-5-pyrrolidinone|1-Methylazacyclopentan-2-one|1-Methylpyrrolidinone|1-Methylpyrrolidone|1-metil-2-pirrolidona|2-Pyrolidinone, 1-methyl-|2-Pyrrolidinone, 1-methyl-|2-Pyrrolidone, 1-methyl-|EINECS 212-828-1|M-Pyrol|Microposit 2001|N-Methyl-2-ketopyrrolidine|N-METHYL-2-PYRROLIDINONE|N-METHYL-2-PYRROLIDON|N-methyl-alpha-pyrrolidinone|N-methyl-alpha-pyrrolidone|N-methyl-gamma-butyrolactam|N-Methyl-a-pyrrolidinone|N-Methyl-a-pyrrolidone|N-Methyl-g-butyrolactam|N-Methylbutyrolactam|N-methylpyrrolidin-2-one|N-Methylpyrrolidinone|N-METHYLPYRROLIDONE|NMP|NSC 4594|Pharmasolve|Pyrol M|PYRROLIDIN-2-ONE, 1-METHYL-|UNII-JR9CE63FPM|26138-58-9|53774-35-9|57762-46-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020856 https://doi.org/10.22427/NTP-DATA-DTXSID6020856
ERPathway2016 ERPathway2016_1712 N-Methyl-2-pyrrolidone 872-50-4 DTXSID6020856 ER Pathway Model, Antagonist Model Score 0 Unitless CN1CCCC1=O N-Methyl-2-pyrrolidone 872-50-4|N-Methyl-2-pyrrolidone|1-Methyl-2-pyrrolidinone|1-Methyl-2-pyrrolidon|1-Methyl-2-pyrrolidone|1-Methyl-5-pyrrolidinone|1-Methylazacyclopentan-2-one|1-Methylpyrrolidinone|1-Methylpyrrolidone|1-metil-2-pirrolidona|2-Pyrolidinone, 1-methyl-|2-Pyrrolidinone, 1-methyl-|2-Pyrrolidone, 1-methyl-|EINECS 212-828-1|M-Pyrol|Microposit 2001|N-Methyl-2-ketopyrrolidine|N-METHYL-2-PYRROLIDINONE|N-METHYL-2-PYRROLIDON|N-methyl-alpha-pyrrolidinone|N-methyl-alpha-pyrrolidone|N-methyl-gamma-butyrolactam|N-Methyl-a-pyrrolidinone|N-Methyl-a-pyrrolidone|N-Methyl-g-butyrolactam|N-Methylbutyrolactam|N-methylpyrrolidin-2-one|N-Methylpyrrolidinone|N-METHYLPYRROLIDONE|NMP|NSC 4594|Pharmasolve|Pyrol M|PYRROLIDIN-2-ONE, 1-METHYL-|UNII-JR9CE63FPM|26138-58-9|53774-35-9|57762-46-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020856 https://doi.org/10.22427/NTP-DATA-DTXSID6020856
ERPathway2016 ERPathway2016_1712 N-Methyl-2-pyrrolidone 872-50-4 DTXSID6020856 ER Pathway Model, Agonist Call Inactive Unitless CN1CCCC1=O N-Methyl-2-pyrrolidone 872-50-4|N-Methyl-2-pyrrolidone|1-Methyl-2-pyrrolidinone|1-Methyl-2-pyrrolidon|1-Methyl-2-pyrrolidone|1-Methyl-5-pyrrolidinone|1-Methylazacyclopentan-2-one|1-Methylpyrrolidinone|1-Methylpyrrolidone|1-metil-2-pirrolidona|2-Pyrolidinone, 1-methyl-|2-Pyrrolidinone, 1-methyl-|2-Pyrrolidone, 1-methyl-|EINECS 212-828-1|M-Pyrol|Microposit 2001|N-Methyl-2-ketopyrrolidine|N-METHYL-2-PYRROLIDINONE|N-METHYL-2-PYRROLIDON|N-methyl-alpha-pyrrolidinone|N-methyl-alpha-pyrrolidone|N-methyl-gamma-butyrolactam|N-Methyl-a-pyrrolidinone|N-Methyl-a-pyrrolidone|N-Methyl-g-butyrolactam|N-Methylbutyrolactam|N-methylpyrrolidin-2-one|N-Methylpyrrolidinone|N-METHYLPYRROLIDONE|NMP|NSC 4594|Pharmasolve|Pyrol M|PYRROLIDIN-2-ONE, 1-METHYL-|UNII-JR9CE63FPM|26138-58-9|53774-35-9|57762-46-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020856 https://doi.org/10.22427/NTP-DATA-DTXSID6020856
ERPathway2016 ERPathway2016_1712 N-Methyl-2-pyrrolidone 872-50-4 DTXSID6020856 ER Pathway Model, Antagonist Call Inactive Unitless CN1CCCC1=O N-Methyl-2-pyrrolidone 872-50-4|N-Methyl-2-pyrrolidone|1-Methyl-2-pyrrolidinone|1-Methyl-2-pyrrolidon|1-Methyl-2-pyrrolidone|1-Methyl-5-pyrrolidinone|1-Methylazacyclopentan-2-one|1-Methylpyrrolidinone|1-Methylpyrrolidone|1-metil-2-pirrolidona|2-Pyrolidinone, 1-methyl-|2-Pyrrolidinone, 1-methyl-|2-Pyrrolidone, 1-methyl-|EINECS 212-828-1|M-Pyrol|Microposit 2001|N-Methyl-2-ketopyrrolidine|N-METHYL-2-PYRROLIDINONE|N-METHYL-2-PYRROLIDON|N-methyl-alpha-pyrrolidinone|N-methyl-alpha-pyrrolidone|N-methyl-gamma-butyrolactam|N-Methyl-a-pyrrolidinone|N-Methyl-a-pyrrolidone|N-Methyl-g-butyrolactam|N-Methylbutyrolactam|N-methylpyrrolidin-2-one|N-Methylpyrrolidinone|N-METHYLPYRROLIDONE|NMP|NSC 4594|Pharmasolve|Pyrol M|PYRROLIDIN-2-ONE, 1-METHYL-|UNII-JR9CE63FPM|26138-58-9|53774-35-9|57762-46-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020856 https://doi.org/10.22427/NTP-DATA-DTXSID6020856
ARPathway2016 ARPathway2016_1583 N-Methylacetamide 79-16-3 DTXSID0047167 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(C)=O N-Methylacetamide 79-16-3|N-Methylacetamide|Acetamide, methyl-|Acetamide, N-methyl-|Acetic acid, amide, N-methyl|Acetylmethylamine|EINECS 201-182-6|ESSIGSAEURE-METHYLAMID|Methylacetamide|Monomethylacetamide|N-Acetyl-N-methylamine|N-Methylacetamid|N-metilacetamida|N-Monomethylacetamide|NSC 747|UNII-V0T777481M|1320-47-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047167
ARPathway2016 ARPathway2016_1583 N-Methylacetamide 79-16-3 DTXSID0047167 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CNC(C)=O N-Methylacetamide 79-16-3|N-Methylacetamide|Acetamide, methyl-|Acetamide, N-methyl-|Acetic acid, amide, N-methyl|Acetylmethylamine|EINECS 201-182-6|ESSIGSAEURE-METHYLAMID|Methylacetamide|Monomethylacetamide|N-Acetyl-N-methylamine|N-Methylacetamid|N-metilacetamida|N-Monomethylacetamide|NSC 747|UNII-V0T777481M|1320-47-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047167
ARPathway2016 ARPathway2016_1583 N-Methylacetamide 79-16-3 DTXSID0047167 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CNC(C)=O N-Methylacetamide 79-16-3|N-Methylacetamide|Acetamide, methyl-|Acetamide, N-methyl-|Acetic acid, amide, N-methyl|Acetylmethylamine|EINECS 201-182-6|ESSIGSAEURE-METHYLAMID|Methylacetamide|Monomethylacetamide|N-Acetyl-N-methylamine|N-Methylacetamid|N-metilacetamida|N-Monomethylacetamide|NSC 747|UNII-V0T777481M|1320-47-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047167
ARPathway2016 ARPathway2016_1583 N-Methylacetamide 79-16-3 DTXSID0047167 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CNC(C)=O N-Methylacetamide 79-16-3|N-Methylacetamide|Acetamide, methyl-|Acetamide, N-methyl-|Acetic acid, amide, N-methyl|Acetylmethylamine|EINECS 201-182-6|ESSIGSAEURE-METHYLAMID|Methylacetamide|Monomethylacetamide|N-Acetyl-N-methylamine|N-Methylacetamid|N-metilacetamida|N-Monomethylacetamide|NSC 747|UNII-V0T777481M|1320-47-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047167
ERPathway2016 ERPathway2016_1671 N-Methylacetamide 79-16-3 DTXSID0047167 ER Pathway Model, Agonist Model Score 0 Unitless CNC(C)=O N-Methylacetamide 79-16-3|N-Methylacetamide|Acetamide, methyl-|Acetamide, N-methyl-|Acetic acid, amide, N-methyl|Acetylmethylamine|EINECS 201-182-6|ESSIGSAEURE-METHYLAMID|Methylacetamide|Monomethylacetamide|N-Acetyl-N-methylamine|N-Methylacetamid|N-metilacetamida|N-Monomethylacetamide|NSC 747|UNII-V0T777481M|1320-47-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047167
ERPathway2016 ERPathway2016_1671 N-Methylacetamide 79-16-3 DTXSID0047167 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(C)=O N-Methylacetamide 79-16-3|N-Methylacetamide|Acetamide, methyl-|Acetamide, N-methyl-|Acetic acid, amide, N-methyl|Acetylmethylamine|EINECS 201-182-6|ESSIGSAEURE-METHYLAMID|Methylacetamide|Monomethylacetamide|N-Acetyl-N-methylamine|N-Methylacetamid|N-metilacetamida|N-Monomethylacetamide|NSC 747|UNII-V0T777481M|1320-47-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047167
ERPathway2016 ERPathway2016_1671 N-Methylacetamide 79-16-3 DTXSID0047167 ER Pathway Model, Agonist Call Inactive Unitless CNC(C)=O N-Methylacetamide 79-16-3|N-Methylacetamide|Acetamide, methyl-|Acetamide, N-methyl-|Acetic acid, amide, N-methyl|Acetylmethylamine|EINECS 201-182-6|ESSIGSAEURE-METHYLAMID|Methylacetamide|Monomethylacetamide|N-Acetyl-N-methylamine|N-Methylacetamid|N-metilacetamida|N-Monomethylacetamide|NSC 747|UNII-V0T777481M|1320-47-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047167
ERPathway2016 ERPathway2016_1671 N-Methylacetamide 79-16-3 DTXSID0047167 ER Pathway Model, Antagonist Call Inactive Unitless CNC(C)=O N-Methylacetamide 79-16-3|N-Methylacetamide|Acetamide, methyl-|Acetamide, N-methyl-|Acetic acid, amide, N-methyl|Acetylmethylamine|EINECS 201-182-6|ESSIGSAEURE-METHYLAMID|Methylacetamide|Monomethylacetamide|N-Acetyl-N-methylamine|N-Methylacetamid|N-metilacetamida|N-Monomethylacetamide|NSC 747|UNII-V0T777481M|1320-47-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047167
ARPathway2016 ARPathway2016_1212 N-Methyldioctylamine 4455-26-9 DTXSID9042209 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCN(C)CCCCCCCC N-Methyldioctylamine 4455-26-9|N-Methyldioctylamine|1-Octanamine, N-methyl-N-octyl-|Di-n-octylmethylamine|Di(octyl)methylamine|EINECS 224-703-9|N-Methyl-N-octyl-1-octanamine|N,N-Dioctyl-N-methylamine|N,N-Dioctylmethylamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042209
ARPathway2016 ARPathway2016_1212 N-Methyldioctylamine 4455-26-9 DTXSID9042209 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCN(C)CCCCCCCC N-Methyldioctylamine 4455-26-9|N-Methyldioctylamine|1-Octanamine, N-methyl-N-octyl-|Di-n-octylmethylamine|Di(octyl)methylamine|EINECS 224-703-9|N-Methyl-N-octyl-1-octanamine|N,N-Dioctyl-N-methylamine|N,N-Dioctylmethylamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042209
ARPathway2016 ARPathway2016_1212 N-Methyldioctylamine 4455-26-9 DTXSID9042209 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCN(C)CCCCCCCC N-Methyldioctylamine 4455-26-9|N-Methyldioctylamine|1-Octanamine, N-methyl-N-octyl-|Di-n-octylmethylamine|Di(octyl)methylamine|EINECS 224-703-9|N-Methyl-N-octyl-1-octanamine|N,N-Dioctyl-N-methylamine|N,N-Dioctylmethylamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042209
ARPathway2016 ARPathway2016_1212 N-Methyldioctylamine 4455-26-9 DTXSID9042209 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCN(C)CCCCCCCC N-Methyldioctylamine 4455-26-9|N-Methyldioctylamine|1-Octanamine, N-methyl-N-octyl-|Di-n-octylmethylamine|Di(octyl)methylamine|EINECS 224-703-9|N-Methyl-N-octyl-1-octanamine|N,N-Dioctyl-N-methylamine|N,N-Dioctylmethylamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042209
ERPathway2016 ERPathway2016_506 N-Methyldioctylamine 4455-26-9 DTXSID9042209 R6 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCN(C)CCCCCCCC N-Methyldioctylamine 4455-26-9|N-Methyldioctylamine|1-Octanamine, N-methyl-N-octyl-|Di-n-octylmethylamine|Di(octyl)methylamine|EINECS 224-703-9|N-Methyl-N-octyl-1-octanamine|N,N-Dioctyl-N-methylamine|N,N-Dioctylmethylamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042209
ERPathway2016 ERPathway2016_506 N-Methyldioctylamine 4455-26-9 DTXSID9042209 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCN(C)CCCCCCCC N-Methyldioctylamine 4455-26-9|N-Methyldioctylamine|1-Octanamine, N-methyl-N-octyl-|Di-n-octylmethylamine|Di(octyl)methylamine|EINECS 224-703-9|N-Methyl-N-octyl-1-octanamine|N,N-Dioctyl-N-methylamine|N,N-Dioctylmethylamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042209
ERPathway2016 ERPathway2016_506 N-Methyldioctylamine 4455-26-9 DTXSID9042209 R6 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCN(C)CCCCCCCC N-Methyldioctylamine 4455-26-9|N-Methyldioctylamine|1-Octanamine, N-methyl-N-octyl-|Di-n-octylmethylamine|Di(octyl)methylamine|EINECS 224-703-9|N-Methyl-N-octyl-1-octanamine|N,N-Dioctyl-N-methylamine|N,N-Dioctylmethylamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042209
ERPathway2016 ERPathway2016_506 N-Methyldioctylamine 4455-26-9 DTXSID9042209 R6 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCN(C)CCCCCCCC N-Methyldioctylamine 4455-26-9|N-Methyldioctylamine|1-Octanamine, N-methyl-N-octyl-|Di-n-octylmethylamine|Di(octyl)methylamine|EINECS 224-703-9|N-Methyl-N-octyl-1-octanamine|N,N-Dioctyl-N-methylamine|N,N-Dioctylmethylamine https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042209
ARPathway2016 ARPathway2016_1454 N-Methylhydrazinecarbothioamide 6610-29-3 DTXSID7044390 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(=S)NN N-Methylhydrazinecarbothioamide 6610-29-3|N-Methylhydrazinecarbothioamide|1-Methyl-2-thiosemicarbazide|4-Methyl-3-thiosemicarbazide|4-Methylhydrazinecarbothioamide|EINECS 229-563-2|Hydrazinecarbothioamide, N-methyl-|Methylthiosemicarbazide|N-Methylthiosemicarbazide|NSC 56911|Semicarbazide, 4-methyl-3-thio- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044390
ARPathway2016 ARPathway2016_1454 N-Methylhydrazinecarbothioamide 6610-29-3 DTXSID7044390 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CNC(=S)NN N-Methylhydrazinecarbothioamide 6610-29-3|N-Methylhydrazinecarbothioamide|1-Methyl-2-thiosemicarbazide|4-Methyl-3-thiosemicarbazide|4-Methylhydrazinecarbothioamide|EINECS 229-563-2|Hydrazinecarbothioamide, N-methyl-|Methylthiosemicarbazide|N-Methylthiosemicarbazide|NSC 56911|Semicarbazide, 4-methyl-3-thio- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044390
ARPathway2016 ARPathway2016_1454 N-Methylhydrazinecarbothioamide 6610-29-3 DTXSID7044390 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Call Inactive Unitless CNC(=S)NN N-Methylhydrazinecarbothioamide 6610-29-3|N-Methylhydrazinecarbothioamide|1-Methyl-2-thiosemicarbazide|4-Methyl-3-thiosemicarbazide|4-Methylhydrazinecarbothioamide|EINECS 229-563-2|Hydrazinecarbothioamide, N-methyl-|Methylthiosemicarbazide|N-Methylthiosemicarbazide|NSC 56911|Semicarbazide, 4-methyl-3-thio- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044390
ARPathway2016 ARPathway2016_1454 N-Methylhydrazinecarbothioamide 6610-29-3 DTXSID7044390 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CNC(=S)NN N-Methylhydrazinecarbothioamide 6610-29-3|N-Methylhydrazinecarbothioamide|1-Methyl-2-thiosemicarbazide|4-Methyl-3-thiosemicarbazide|4-Methylhydrazinecarbothioamide|EINECS 229-563-2|Hydrazinecarbothioamide, N-methyl-|Methylthiosemicarbazide|N-Methylthiosemicarbazide|NSC 56911|Semicarbazide, 4-methyl-3-thio- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044390
ERPathway2016 ERPathway2016_648 N-Methylhydrazinecarbothioamide 6610-29-3 DTXSID7044390 ER Pathway Model, Agonist Model Score 0 Unitless CNC(=S)NN N-Methylhydrazinecarbothioamide 6610-29-3|N-Methylhydrazinecarbothioamide|1-Methyl-2-thiosemicarbazide|4-Methyl-3-thiosemicarbazide|4-Methylhydrazinecarbothioamide|EINECS 229-563-2|Hydrazinecarbothioamide, N-methyl-|Methylthiosemicarbazide|N-Methylthiosemicarbazide|NSC 56911|Semicarbazide, 4-methyl-3-thio- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044390
ERPathway2016 ERPathway2016_648 N-Methylhydrazinecarbothioamide 6610-29-3 DTXSID7044390 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(=S)NN N-Methylhydrazinecarbothioamide 6610-29-3|N-Methylhydrazinecarbothioamide|1-Methyl-2-thiosemicarbazide|4-Methyl-3-thiosemicarbazide|4-Methylhydrazinecarbothioamide|EINECS 229-563-2|Hydrazinecarbothioamide, N-methyl-|Methylthiosemicarbazide|N-Methylthiosemicarbazide|NSC 56911|Semicarbazide, 4-methyl-3-thio- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044390
ERPathway2016 ERPathway2016_648 N-Methylhydrazinecarbothioamide 6610-29-3 DTXSID7044390 ER Pathway Model, Agonist Call Inactive Unitless CNC(=S)NN N-Methylhydrazinecarbothioamide 6610-29-3|N-Methylhydrazinecarbothioamide|1-Methyl-2-thiosemicarbazide|4-Methyl-3-thiosemicarbazide|4-Methylhydrazinecarbothioamide|EINECS 229-563-2|Hydrazinecarbothioamide, N-methyl-|Methylthiosemicarbazide|N-Methylthiosemicarbazide|NSC 56911|Semicarbazide, 4-methyl-3-thio- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044390
ERPathway2016 ERPathway2016_648 N-Methylhydrazinecarbothioamide 6610-29-3 DTXSID7044390 ER Pathway Model, Antagonist Call Inactive Unitless CNC(=S)NN N-Methylhydrazinecarbothioamide 6610-29-3|N-Methylhydrazinecarbothioamide|1-Methyl-2-thiosemicarbazide|4-Methyl-3-thiosemicarbazide|4-Methylhydrazinecarbothioamide|EINECS 229-563-2|Hydrazinecarbothioamide, N-methyl-|Methylthiosemicarbazide|N-Methylthiosemicarbazide|NSC 56911|Semicarbazide, 4-methyl-3-thio- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7044390
ARPathway2016 ARPathway2016_1313 N-Methylphthalimide 550-44-7 DTXSID5027198 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN1C(=O)C2=C(C=CC=C2)C1=O N-Methylphthalimide 550-44-7|N-Methylphthalimide|1H-Isoindole-1,3(2H)-dione, 2-methyl-|5-21-10-00273|BRN 0124428|EINECS 208-982-4|NSC 44059|Phthalimide,N-Methyl|UNII-647UP45J2U https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027198
ARPathway2016 ARPathway2016_1313 N-Methylphthalimide 550-44-7 DTXSID5027198 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN1C(=O)C2=C(C=CC=C2)C1=O N-Methylphthalimide 550-44-7|N-Methylphthalimide|1H-Isoindole-1,3(2H)-dione, 2-methyl-|5-21-10-00273|BRN 0124428|EINECS 208-982-4|NSC 44059|Phthalimide,N-Methyl|UNII-647UP45J2U https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027198
ARPathway2016 ARPathway2016_1313 N-Methylphthalimide 550-44-7 DTXSID5027198 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN1C(=O)C2=C(C=CC=C2)C1=O N-Methylphthalimide 550-44-7|N-Methylphthalimide|1H-Isoindole-1,3(2H)-dione, 2-methyl-|5-21-10-00273|BRN 0124428|EINECS 208-982-4|NSC 44059|Phthalimide,N-Methyl|UNII-647UP45J2U https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027198
ARPathway2016 ARPathway2016_1313 N-Methylphthalimide 550-44-7 DTXSID5027198 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN1C(=O)C2=C(C=CC=C2)C1=O N-Methylphthalimide 550-44-7|N-Methylphthalimide|1H-Isoindole-1,3(2H)-dione, 2-methyl-|5-21-10-00273|BRN 0124428|EINECS 208-982-4|NSC 44059|Phthalimide,N-Methyl|UNII-647UP45J2U https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027198
ERPathway2016 ERPathway2016_1529 N-Methylphthalimide 550-44-7 DTXSID5027198 ER Pathway Model, Agonist Model Score 0 Unitless CN1C(=O)C2=C(C=CC=C2)C1=O N-Methylphthalimide 550-44-7|N-Methylphthalimide|1H-Isoindole-1,3(2H)-dione, 2-methyl-|5-21-10-00273|BRN 0124428|EINECS 208-982-4|NSC 44059|Phthalimide,N-Methyl|UNII-647UP45J2U https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027198
ERPathway2016 ERPathway2016_1529 N-Methylphthalimide 550-44-7 DTXSID5027198 ER Pathway Model, Antagonist Model Score 0 Unitless CN1C(=O)C2=C(C=CC=C2)C1=O N-Methylphthalimide 550-44-7|N-Methylphthalimide|1H-Isoindole-1,3(2H)-dione, 2-methyl-|5-21-10-00273|BRN 0124428|EINECS 208-982-4|NSC 44059|Phthalimide,N-Methyl|UNII-647UP45J2U https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027198
ERPathway2016 ERPathway2016_1529 N-Methylphthalimide 550-44-7 DTXSID5027198 ER Pathway Model, Agonist Call Inactive Unitless CN1C(=O)C2=C(C=CC=C2)C1=O N-Methylphthalimide 550-44-7|N-Methylphthalimide|1H-Isoindole-1,3(2H)-dione, 2-methyl-|5-21-10-00273|BRN 0124428|EINECS 208-982-4|NSC 44059|Phthalimide,N-Methyl|UNII-647UP45J2U https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027198
ERPathway2016 ERPathway2016_1529 N-Methylphthalimide 550-44-7 DTXSID5027198 ER Pathway Model, Antagonist Call Inactive Unitless CN1C(=O)C2=C(C=CC=C2)C1=O N-Methylphthalimide 550-44-7|N-Methylphthalimide|1H-Isoindole-1,3(2H)-dione, 2-methyl-|5-21-10-00273|BRN 0124428|EINECS 208-982-4|NSC 44059|Phthalimide,N-Methyl|UNII-647UP45J2U https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027198
ARPathway2016 ARPathway2016_1716 N-Nitrosodibutylamine 924-16-3 DTXSID2021026 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCN(CCCC)N=O N-Nitrosodibutylamine 924-16-3|N-Nitrosodibutylamine|1-Butanamine, N-butyl-N-nitroso-|BRN 1760378|Butylamine, N-nitrosodi-|Di-n-butylnitrosamin|Di-n-butylnitrosamine|Dibutylamine, N-nitroso-|Dibutylnitrosamine|Dibutylnitrosoamine|EINECS 213-101-1|N-Butyl-N-nitroso-1-butamine|N-Butyl-N-nitroso-1-butanamine|N-Butyl-N-nitroso-1-butaneamine|N-Nitroso-di-n-butylamine|N-Nitroso-N-di-n-butylamine|N-Nitrosodi-n-butylamine|N,N-Di-n-butylnitrosamine|N,N-Dibutylnitrosamine|N,N-Dibutylnitrosoamine|NDBA|Nitrosodibutylamine|NSC 6830|RCRA waste number U172|UNII-8K8942WN31 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021026
ARPathway2016 ARPathway2016_1716 N-Nitrosodibutylamine 924-16-3 DTXSID2021026 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCN(CCCC)N=O N-Nitrosodibutylamine 924-16-3|N-Nitrosodibutylamine|1-Butanamine, N-butyl-N-nitroso-|BRN 1760378|Butylamine, N-nitrosodi-|Di-n-butylnitrosamin|Di-n-butylnitrosamine|Dibutylamine, N-nitroso-|Dibutylnitrosamine|Dibutylnitrosoamine|EINECS 213-101-1|N-Butyl-N-nitroso-1-butamine|N-Butyl-N-nitroso-1-butanamine|N-Butyl-N-nitroso-1-butaneamine|N-Nitroso-di-n-butylamine|N-Nitroso-N-di-n-butylamine|N-Nitrosodi-n-butylamine|N,N-Di-n-butylnitrosamine|N,N-Dibutylnitrosamine|N,N-Dibutylnitrosoamine|NDBA|Nitrosodibutylamine|NSC 6830|RCRA waste number U172|UNII-8K8942WN31 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021026
ARPathway2016 ARPathway2016_1716 N-Nitrosodibutylamine 924-16-3 DTXSID2021026 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCN(CCCC)N=O N-Nitrosodibutylamine 924-16-3|N-Nitrosodibutylamine|1-Butanamine, N-butyl-N-nitroso-|BRN 1760378|Butylamine, N-nitrosodi-|Di-n-butylnitrosamin|Di-n-butylnitrosamine|Dibutylamine, N-nitroso-|Dibutylnitrosamine|Dibutylnitrosoamine|EINECS 213-101-1|N-Butyl-N-nitroso-1-butamine|N-Butyl-N-nitroso-1-butanamine|N-Butyl-N-nitroso-1-butaneamine|N-Nitroso-di-n-butylamine|N-Nitroso-N-di-n-butylamine|N-Nitrosodi-n-butylamine|N,N-Di-n-butylnitrosamine|N,N-Dibutylnitrosamine|N,N-Dibutylnitrosoamine|NDBA|Nitrosodibutylamine|NSC 6830|RCRA waste number U172|UNII-8K8942WN31 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021026
ARPathway2016 ARPathway2016_1716 N-Nitrosodibutylamine 924-16-3 DTXSID2021026 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCN(CCCC)N=O N-Nitrosodibutylamine 924-16-3|N-Nitrosodibutylamine|1-Butanamine, N-butyl-N-nitroso-|BRN 1760378|Butylamine, N-nitrosodi-|Di-n-butylnitrosamin|Di-n-butylnitrosamine|Dibutylamine, N-nitroso-|Dibutylnitrosamine|Dibutylnitrosoamine|EINECS 213-101-1|N-Butyl-N-nitroso-1-butamine|N-Butyl-N-nitroso-1-butanamine|N-Butyl-N-nitroso-1-butaneamine|N-Nitroso-di-n-butylamine|N-Nitroso-N-di-n-butylamine|N-Nitrosodi-n-butylamine|N,N-Di-n-butylnitrosamine|N,N-Dibutylnitrosamine|N,N-Dibutylnitrosoamine|NDBA|Nitrosodibutylamine|NSC 6830|RCRA waste number U172|UNII-8K8942WN31 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021026
ERPathway2016 ERPathway2016_1744 N-Nitrosodibutylamine 924-16-3 DTXSID2021026 ER Pathway Model, Agonist Model Score 0 Unitless CCCCN(CCCC)N=O N-Nitrosodibutylamine 924-16-3|N-Nitrosodibutylamine|1-Butanamine, N-butyl-N-nitroso-|BRN 1760378|Butylamine, N-nitrosodi-|Di-n-butylnitrosamin|Di-n-butylnitrosamine|Dibutylamine, N-nitroso-|Dibutylnitrosamine|Dibutylnitrosoamine|EINECS 213-101-1|N-Butyl-N-nitroso-1-butamine|N-Butyl-N-nitroso-1-butanamine|N-Butyl-N-nitroso-1-butaneamine|N-Nitroso-di-n-butylamine|N-Nitroso-N-di-n-butylamine|N-Nitrosodi-n-butylamine|N,N-Di-n-butylnitrosamine|N,N-Dibutylnitrosamine|N,N-Dibutylnitrosoamine|NDBA|Nitrosodibutylamine|NSC 6830|RCRA waste number U172|UNII-8K8942WN31 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021026
ERPathway2016 ERPathway2016_1744 N-Nitrosodibutylamine 924-16-3 DTXSID2021026 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCN(CCCC)N=O N-Nitrosodibutylamine 924-16-3|N-Nitrosodibutylamine|1-Butanamine, N-butyl-N-nitroso-|BRN 1760378|Butylamine, N-nitrosodi-|Di-n-butylnitrosamin|Di-n-butylnitrosamine|Dibutylamine, N-nitroso-|Dibutylnitrosamine|Dibutylnitrosoamine|EINECS 213-101-1|N-Butyl-N-nitroso-1-butamine|N-Butyl-N-nitroso-1-butanamine|N-Butyl-N-nitroso-1-butaneamine|N-Nitroso-di-n-butylamine|N-Nitroso-N-di-n-butylamine|N-Nitrosodi-n-butylamine|N,N-Di-n-butylnitrosamine|N,N-Dibutylnitrosamine|N,N-Dibutylnitrosoamine|NDBA|Nitrosodibutylamine|NSC 6830|RCRA waste number U172|UNII-8K8942WN31 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021026
ERPathway2016 ERPathway2016_1744 N-Nitrosodibutylamine 924-16-3 DTXSID2021026 ER Pathway Model, Agonist Call Inactive Unitless CCCCN(CCCC)N=O N-Nitrosodibutylamine 924-16-3|N-Nitrosodibutylamine|1-Butanamine, N-butyl-N-nitroso-|BRN 1760378|Butylamine, N-nitrosodi-|Di-n-butylnitrosamin|Di-n-butylnitrosamine|Dibutylamine, N-nitroso-|Dibutylnitrosamine|Dibutylnitrosoamine|EINECS 213-101-1|N-Butyl-N-nitroso-1-butamine|N-Butyl-N-nitroso-1-butanamine|N-Butyl-N-nitroso-1-butaneamine|N-Nitroso-di-n-butylamine|N-Nitroso-N-di-n-butylamine|N-Nitrosodi-n-butylamine|N,N-Di-n-butylnitrosamine|N,N-Dibutylnitrosamine|N,N-Dibutylnitrosoamine|NDBA|Nitrosodibutylamine|NSC 6830|RCRA waste number U172|UNII-8K8942WN31 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021026
ERPathway2016 ERPathway2016_1744 N-Nitrosodibutylamine 924-16-3 DTXSID2021026 ER Pathway Model, Antagonist Call Inactive Unitless CCCCN(CCCC)N=O N-Nitrosodibutylamine 924-16-3|N-Nitrosodibutylamine|1-Butanamine, N-butyl-N-nitroso-|BRN 1760378|Butylamine, N-nitrosodi-|Di-n-butylnitrosamin|Di-n-butylnitrosamine|Dibutylamine, N-nitroso-|Dibutylnitrosamine|Dibutylnitrosoamine|EINECS 213-101-1|N-Butyl-N-nitroso-1-butamine|N-Butyl-N-nitroso-1-butanamine|N-Butyl-N-nitroso-1-butaneamine|N-Nitroso-di-n-butylamine|N-Nitroso-N-di-n-butylamine|N-Nitrosodi-n-butylamine|N,N-Di-n-butylnitrosamine|N,N-Dibutylnitrosamine|N,N-Dibutylnitrosoamine|NDBA|Nitrosodibutylamine|NSC 6830|RCRA waste number U172|UNII-8K8942WN31 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021026
ARPathway2016 ARPathway2016_1314 N-Nitrosodiethylamine 55-18-5 DTXSID2021028 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCN(CC)N=O N-Nitrosodiethylamine 55-18-5|N-Nitrosodiethylamine|1,1-diethyl-2-oxohydrazine|BRN 1744991|DANA|DEN|DEN (mutagen)|DENA|Diaethylnitrosamin|Diethylamine, N-nitroso-|Diethylnitrosamide|diethylnitrosamine|Diethylnitrosoamin|Diethylnitrosoamine|dietilnitrosoamina|EINECS 200-226-1|Ethanamine, N-ethyl-N-nitroso-|Ethylamine, N-nitrosodi-|N-Diethylnitrosamine|N-Ethyl-N-nitroso-ethanamine|N-Ethyl-N-nitrosoethanamine|N-Nitroso-diaethylamine|N-Nitroso-N,N-diethylamine|N-NITROSODIAETHYLAMIN|N,N-diethylnitrosamine|N,N-Diethylnitrosoamine|NDEA|Nitrosamine, diethyl-|Nitrosodiethylamine|NSC 132|RCRA waste number U174|UNII-3IQ78TTX1A https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021028 https://doi.org/10.22427/NTP-DATA-DTXSID2021028
ARPathway2016 ARPathway2016_1314 N-Nitrosodiethylamine 55-18-5 DTXSID2021028 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCN(CC)N=O N-Nitrosodiethylamine 55-18-5|N-Nitrosodiethylamine|1,1-diethyl-2-oxohydrazine|BRN 1744991|DANA|DEN|DEN (mutagen)|DENA|Diaethylnitrosamin|Diethylamine, N-nitroso-|Diethylnitrosamide|diethylnitrosamine|Diethylnitrosoamin|Diethylnitrosoamine|dietilnitrosoamina|EINECS 200-226-1|Ethanamine, N-ethyl-N-nitroso-|Ethylamine, N-nitrosodi-|N-Diethylnitrosamine|N-Ethyl-N-nitroso-ethanamine|N-Ethyl-N-nitrosoethanamine|N-Nitroso-diaethylamine|N-Nitroso-N,N-diethylamine|N-NITROSODIAETHYLAMIN|N,N-diethylnitrosamine|N,N-Diethylnitrosoamine|NDEA|Nitrosamine, diethyl-|Nitrosodiethylamine|NSC 132|RCRA waste number U174|UNII-3IQ78TTX1A https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021028 https://doi.org/10.22427/NTP-DATA-DTXSID2021028
ARPathway2016 ARPathway2016_1314 N-Nitrosodiethylamine 55-18-5 DTXSID2021028 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCN(CC)N=O N-Nitrosodiethylamine 55-18-5|N-Nitrosodiethylamine|1,1-diethyl-2-oxohydrazine|BRN 1744991|DANA|DEN|DEN (mutagen)|DENA|Diaethylnitrosamin|Diethylamine, N-nitroso-|Diethylnitrosamide|diethylnitrosamine|Diethylnitrosoamin|Diethylnitrosoamine|dietilnitrosoamina|EINECS 200-226-1|Ethanamine, N-ethyl-N-nitroso-|Ethylamine, N-nitrosodi-|N-Diethylnitrosamine|N-Ethyl-N-nitroso-ethanamine|N-Ethyl-N-nitrosoethanamine|N-Nitroso-diaethylamine|N-Nitroso-N,N-diethylamine|N-NITROSODIAETHYLAMIN|N,N-diethylnitrosamine|N,N-Diethylnitrosoamine|NDEA|Nitrosamine, diethyl-|Nitrosodiethylamine|NSC 132|RCRA waste number U174|UNII-3IQ78TTX1A https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021028 https://doi.org/10.22427/NTP-DATA-DTXSID2021028
ARPathway2016 ARPathway2016_1314 N-Nitrosodiethylamine 55-18-5 DTXSID2021028 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCN(CC)N=O N-Nitrosodiethylamine 55-18-5|N-Nitrosodiethylamine|1,1-diethyl-2-oxohydrazine|BRN 1744991|DANA|DEN|DEN (mutagen)|DENA|Diaethylnitrosamin|Diethylamine, N-nitroso-|Diethylnitrosamide|diethylnitrosamine|Diethylnitrosoamin|Diethylnitrosoamine|dietilnitrosoamina|EINECS 200-226-1|Ethanamine, N-ethyl-N-nitroso-|Ethylamine, N-nitrosodi-|N-Diethylnitrosamine|N-Ethyl-N-nitroso-ethanamine|N-Ethyl-N-nitrosoethanamine|N-Nitroso-diaethylamine|N-Nitroso-N,N-diethylamine|N-NITROSODIAETHYLAMIN|N,N-diethylnitrosamine|N,N-Diethylnitrosoamine|NDEA|Nitrosamine, diethyl-|Nitrosodiethylamine|NSC 132|RCRA waste number U174|UNII-3IQ78TTX1A https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021028 https://doi.org/10.22427/NTP-DATA-DTXSID2021028
ERPathway2016 ERPathway2016_1530 N-Nitrosodiethylamine 55-18-5 DTXSID2021028 ER Pathway Model, Agonist Model Score 0 Unitless CCN(CC)N=O N-Nitrosodiethylamine 55-18-5|N-Nitrosodiethylamine|1,1-diethyl-2-oxohydrazine|BRN 1744991|DANA|DEN|DEN (mutagen)|DENA|Diaethylnitrosamin|Diethylamine, N-nitroso-|Diethylnitrosamide|diethylnitrosamine|Diethylnitrosoamin|Diethylnitrosoamine|dietilnitrosoamina|EINECS 200-226-1|Ethanamine, N-ethyl-N-nitroso-|Ethylamine, N-nitrosodi-|N-Diethylnitrosamine|N-Ethyl-N-nitroso-ethanamine|N-Ethyl-N-nitrosoethanamine|N-Nitroso-diaethylamine|N-Nitroso-N,N-diethylamine|N-NITROSODIAETHYLAMIN|N,N-diethylnitrosamine|N,N-Diethylnitrosoamine|NDEA|Nitrosamine, diethyl-|Nitrosodiethylamine|NSC 132|RCRA waste number U174|UNII-3IQ78TTX1A https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021028 https://doi.org/10.22427/NTP-DATA-DTXSID2021028
ERPathway2016 ERPathway2016_1530 N-Nitrosodiethylamine 55-18-5 DTXSID2021028 ER Pathway Model, Antagonist Model Score 0 Unitless CCN(CC)N=O N-Nitrosodiethylamine 55-18-5|N-Nitrosodiethylamine|1,1-diethyl-2-oxohydrazine|BRN 1744991|DANA|DEN|DEN (mutagen)|DENA|Diaethylnitrosamin|Diethylamine, N-nitroso-|Diethylnitrosamide|diethylnitrosamine|Diethylnitrosoamin|Diethylnitrosoamine|dietilnitrosoamina|EINECS 200-226-1|Ethanamine, N-ethyl-N-nitroso-|Ethylamine, N-nitrosodi-|N-Diethylnitrosamine|N-Ethyl-N-nitroso-ethanamine|N-Ethyl-N-nitrosoethanamine|N-Nitroso-diaethylamine|N-Nitroso-N,N-diethylamine|N-NITROSODIAETHYLAMIN|N,N-diethylnitrosamine|N,N-Diethylnitrosoamine|NDEA|Nitrosamine, diethyl-|Nitrosodiethylamine|NSC 132|RCRA waste number U174|UNII-3IQ78TTX1A https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021028 https://doi.org/10.22427/NTP-DATA-DTXSID2021028
ERPathway2016 ERPathway2016_1530 N-Nitrosodiethylamine 55-18-5 DTXSID2021028 ER Pathway Model, Agonist Call Inactive Unitless CCN(CC)N=O N-Nitrosodiethylamine 55-18-5|N-Nitrosodiethylamine|1,1-diethyl-2-oxohydrazine|BRN 1744991|DANA|DEN|DEN (mutagen)|DENA|Diaethylnitrosamin|Diethylamine, N-nitroso-|Diethylnitrosamide|diethylnitrosamine|Diethylnitrosoamin|Diethylnitrosoamine|dietilnitrosoamina|EINECS 200-226-1|Ethanamine, N-ethyl-N-nitroso-|Ethylamine, N-nitrosodi-|N-Diethylnitrosamine|N-Ethyl-N-nitroso-ethanamine|N-Ethyl-N-nitrosoethanamine|N-Nitroso-diaethylamine|N-Nitroso-N,N-diethylamine|N-NITROSODIAETHYLAMIN|N,N-diethylnitrosamine|N,N-Diethylnitrosoamine|NDEA|Nitrosamine, diethyl-|Nitrosodiethylamine|NSC 132|RCRA waste number U174|UNII-3IQ78TTX1A https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021028 https://doi.org/10.22427/NTP-DATA-DTXSID2021028
ERPathway2016 ERPathway2016_1530 N-Nitrosodiethylamine 55-18-5 DTXSID2021028 ER Pathway Model, Antagonist Call Inactive Unitless CCN(CC)N=O N-Nitrosodiethylamine 55-18-5|N-Nitrosodiethylamine|1,1-diethyl-2-oxohydrazine|BRN 1744991|DANA|DEN|DEN (mutagen)|DENA|Diaethylnitrosamin|Diethylamine, N-nitroso-|Diethylnitrosamide|diethylnitrosamine|Diethylnitrosoamin|Diethylnitrosoamine|dietilnitrosoamina|EINECS 200-226-1|Ethanamine, N-ethyl-N-nitroso-|Ethylamine, N-nitrosodi-|N-Diethylnitrosamine|N-Ethyl-N-nitroso-ethanamine|N-Ethyl-N-nitrosoethanamine|N-Nitroso-diaethylamine|N-Nitroso-N,N-diethylamine|N-NITROSODIAETHYLAMIN|N,N-diethylnitrosamine|N,N-Diethylnitrosoamine|NDEA|Nitrosamine, diethyl-|Nitrosodiethylamine|NSC 132|RCRA waste number U174|UNII-3IQ78TTX1A https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021028 https://doi.org/10.22427/NTP-DATA-DTXSID2021028
ARPathway2016 ARPathway2016_1419 N-Nitrosodimethylamine 62-75-9 DTXSID7021029 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)N=O N-Nitrosodimethylamine 62-75-9|N-Nitrosodimethylamine|200-549-8|BRN 1738979|DIMETHYLAMINE, N-NITROSO-|Dimethylnitrosamine|Dimethylnitrosoamin|Dimethylnitrosoamine|dimetilnitrosoamina|DMN|DMNA|EC No.: 200-549-8|EINECS 200-549-8|Methanamine, N-methyl-N-nitroso-|N-Dimethyl-nitrosamine|N-Methyl-N-nitrosomethanamine|N-Nitroaodimethylamine|N-Nitroso-N,N-dimethylamine|N-NITROSODIMETHYLAMIN|NDMA|Nitrosamine, dimethyl-|Nitrosodimethylamine|Nitrosodimetilamina|NSC 23226|RCRA waste number P082|UNII-M43H21IO8R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021029 https://doi.org/10.22427/NTP-DATA-DTXSID7021029
ARPathway2016 ARPathway2016_1419 N-Nitrosodimethylamine 62-75-9 DTXSID7021029 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)N=O N-Nitrosodimethylamine 62-75-9|N-Nitrosodimethylamine|200-549-8|BRN 1738979|DIMETHYLAMINE, N-NITROSO-|Dimethylnitrosamine|Dimethylnitrosoamin|Dimethylnitrosoamine|dimetilnitrosoamina|DMN|DMNA|EC No.: 200-549-8|EINECS 200-549-8|Methanamine, N-methyl-N-nitroso-|N-Dimethyl-nitrosamine|N-Methyl-N-nitrosomethanamine|N-Nitroaodimethylamine|N-Nitroso-N,N-dimethylamine|N-NITROSODIMETHYLAMIN|NDMA|Nitrosamine, dimethyl-|Nitrosodimethylamine|Nitrosodimetilamina|NSC 23226|RCRA waste number P082|UNII-M43H21IO8R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021029 https://doi.org/10.22427/NTP-DATA-DTXSID7021029
ARPathway2016 ARPathway2016_1419 N-Nitrosodimethylamine 62-75-9 DTXSID7021029 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN(C)N=O N-Nitrosodimethylamine 62-75-9|N-Nitrosodimethylamine|200-549-8|BRN 1738979|DIMETHYLAMINE, N-NITROSO-|Dimethylnitrosamine|Dimethylnitrosoamin|Dimethylnitrosoamine|dimetilnitrosoamina|DMN|DMNA|EC No.: 200-549-8|EINECS 200-549-8|Methanamine, N-methyl-N-nitroso-|N-Dimethyl-nitrosamine|N-Methyl-N-nitrosomethanamine|N-Nitroaodimethylamine|N-Nitroso-N,N-dimethylamine|N-NITROSODIMETHYLAMIN|NDMA|Nitrosamine, dimethyl-|Nitrosodimethylamine|Nitrosodimetilamina|NSC 23226|RCRA waste number P082|UNII-M43H21IO8R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021029 https://doi.org/10.22427/NTP-DATA-DTXSID7021029
ARPathway2016 ARPathway2016_1419 N-Nitrosodimethylamine 62-75-9 DTXSID7021029 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)N=O N-Nitrosodimethylamine 62-75-9|N-Nitrosodimethylamine|200-549-8|BRN 1738979|DIMETHYLAMINE, N-NITROSO-|Dimethylnitrosamine|Dimethylnitrosoamin|Dimethylnitrosoamine|dimetilnitrosoamina|DMN|DMNA|EC No.: 200-549-8|EINECS 200-549-8|Methanamine, N-methyl-N-nitroso-|N-Dimethyl-nitrosamine|N-Methyl-N-nitrosomethanamine|N-Nitroaodimethylamine|N-Nitroso-N,N-dimethylamine|N-NITROSODIMETHYLAMIN|NDMA|Nitrosamine, dimethyl-|Nitrosodimethylamine|Nitrosodimetilamina|NSC 23226|RCRA waste number P082|UNII-M43H21IO8R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021029 https://doi.org/10.22427/NTP-DATA-DTXSID7021029
ERPathway2016 ERPathway2016_1583 N-Nitrosodimethylamine 62-75-9 DTXSID7021029 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)N=O N-Nitrosodimethylamine 62-75-9|N-Nitrosodimethylamine|200-549-8|BRN 1738979|DIMETHYLAMINE, N-NITROSO-|Dimethylnitrosamine|Dimethylnitrosoamin|Dimethylnitrosoamine|dimetilnitrosoamina|DMN|DMNA|EC No.: 200-549-8|EINECS 200-549-8|Methanamine, N-methyl-N-nitroso-|N-Dimethyl-nitrosamine|N-Methyl-N-nitrosomethanamine|N-Nitroaodimethylamine|N-Nitroso-N,N-dimethylamine|N-NITROSODIMETHYLAMIN|NDMA|Nitrosamine, dimethyl-|Nitrosodimethylamine|Nitrosodimetilamina|NSC 23226|RCRA waste number P082|UNII-M43H21IO8R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021029 https://doi.org/10.22427/NTP-DATA-DTXSID7021029
ERPathway2016 ERPathway2016_1583 N-Nitrosodimethylamine 62-75-9 DTXSID7021029 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)N=O N-Nitrosodimethylamine 62-75-9|N-Nitrosodimethylamine|200-549-8|BRN 1738979|DIMETHYLAMINE, N-NITROSO-|Dimethylnitrosamine|Dimethylnitrosoamin|Dimethylnitrosoamine|dimetilnitrosoamina|DMN|DMNA|EC No.: 200-549-8|EINECS 200-549-8|Methanamine, N-methyl-N-nitroso-|N-Dimethyl-nitrosamine|N-Methyl-N-nitrosomethanamine|N-Nitroaodimethylamine|N-Nitroso-N,N-dimethylamine|N-NITROSODIMETHYLAMIN|NDMA|Nitrosamine, dimethyl-|Nitrosodimethylamine|Nitrosodimetilamina|NSC 23226|RCRA waste number P082|UNII-M43H21IO8R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021029 https://doi.org/10.22427/NTP-DATA-DTXSID7021029
ERPathway2016 ERPathway2016_1583 N-Nitrosodimethylamine 62-75-9 DTXSID7021029 ER Pathway Model, Agonist Call Inactive Unitless CN(C)N=O N-Nitrosodimethylamine 62-75-9|N-Nitrosodimethylamine|200-549-8|BRN 1738979|DIMETHYLAMINE, N-NITROSO-|Dimethylnitrosamine|Dimethylnitrosoamin|Dimethylnitrosoamine|dimetilnitrosoamina|DMN|DMNA|EC No.: 200-549-8|EINECS 200-549-8|Methanamine, N-methyl-N-nitroso-|N-Dimethyl-nitrosamine|N-Methyl-N-nitrosomethanamine|N-Nitroaodimethylamine|N-Nitroso-N,N-dimethylamine|N-NITROSODIMETHYLAMIN|NDMA|Nitrosamine, dimethyl-|Nitrosodimethylamine|Nitrosodimetilamina|NSC 23226|RCRA waste number P082|UNII-M43H21IO8R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021029 https://doi.org/10.22427/NTP-DATA-DTXSID7021029
ERPathway2016 ERPathway2016_1583 N-Nitrosodimethylamine 62-75-9 DTXSID7021029 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)N=O N-Nitrosodimethylamine 62-75-9|N-Nitrosodimethylamine|200-549-8|BRN 1738979|DIMETHYLAMINE, N-NITROSO-|Dimethylnitrosamine|Dimethylnitrosoamin|Dimethylnitrosoamine|dimetilnitrosoamina|DMN|DMNA|EC No.: 200-549-8|EINECS 200-549-8|Methanamine, N-methyl-N-nitroso-|N-Dimethyl-nitrosamine|N-Methyl-N-nitrosomethanamine|N-Nitroaodimethylamine|N-Nitroso-N,N-dimethylamine|N-NITROSODIMETHYLAMIN|NDMA|Nitrosamine, dimethyl-|Nitrosodimethylamine|Nitrosodimetilamina|NSC 23226|RCRA waste number P082|UNII-M43H21IO8R https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021029 https://doi.org/10.22427/NTP-DATA-DTXSID7021029
ARPathway2016 ARPathway2016_1408 N-Nitrosodi-n-propylamine 621-64-7 DTXSID6021032 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCN(CCC)N=O N-Nitrosodi-n-propylamine 621-64-7|N-Nitrosodi-n-propylamine|1-Propanamine, N-nitroso-N-propyl-|BRN 1752621|Di-n-propylnitrosamine|Di-n-propylnitrosoamine|Dipropylamine, N-nitroso|Dipropylnitrosamine|EINECS 210-698-0|N-Nitroso-N-di-n-propylamine|N-Nitroso-N-propyl-1-propanamine|N-Nitrosodipropylamine|N,N-Di-n-propylnitrosamine|N,N-Dipropylnitrosamine|NDPA|NSC 133|Propanamine, N-nitroso-N-propyl-|Propylamine, N-nitroso-N-di-|RCRA waste number U111|UNII-2920IH58NC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021032
ARPathway2016 ARPathway2016_1408 N-Nitrosodi-n-propylamine 621-64-7 DTXSID6021032 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCN(CCC)N=O N-Nitrosodi-n-propylamine 621-64-7|N-Nitrosodi-n-propylamine|1-Propanamine, N-nitroso-N-propyl-|BRN 1752621|Di-n-propylnitrosamine|Di-n-propylnitrosoamine|Dipropylamine, N-nitroso|Dipropylnitrosamine|EINECS 210-698-0|N-Nitroso-N-di-n-propylamine|N-Nitroso-N-propyl-1-propanamine|N-Nitrosodipropylamine|N,N-Di-n-propylnitrosamine|N,N-Dipropylnitrosamine|NDPA|NSC 133|Propanamine, N-nitroso-N-propyl-|Propylamine, N-nitroso-N-di-|RCRA waste number U111|UNII-2920IH58NC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021032
ARPathway2016 ARPathway2016_1408 N-Nitrosodi-n-propylamine 621-64-7 DTXSID6021032 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCN(CCC)N=O N-Nitrosodi-n-propylamine 621-64-7|N-Nitrosodi-n-propylamine|1-Propanamine, N-nitroso-N-propyl-|BRN 1752621|Di-n-propylnitrosamine|Di-n-propylnitrosoamine|Dipropylamine, N-nitroso|Dipropylnitrosamine|EINECS 210-698-0|N-Nitroso-N-di-n-propylamine|N-Nitroso-N-propyl-1-propanamine|N-Nitrosodipropylamine|N,N-Di-n-propylnitrosamine|N,N-Dipropylnitrosamine|NDPA|NSC 133|Propanamine, N-nitroso-N-propyl-|Propylamine, N-nitroso-N-di-|RCRA waste number U111|UNII-2920IH58NC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021032
ARPathway2016 ARPathway2016_1408 N-Nitrosodi-n-propylamine 621-64-7 DTXSID6021032 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCN(CCC)N=O N-Nitrosodi-n-propylamine 621-64-7|N-Nitrosodi-n-propylamine|1-Propanamine, N-nitroso-N-propyl-|BRN 1752621|Di-n-propylnitrosamine|Di-n-propylnitrosoamine|Dipropylamine, N-nitroso|Dipropylnitrosamine|EINECS 210-698-0|N-Nitroso-N-di-n-propylamine|N-Nitroso-N-propyl-1-propanamine|N-Nitrosodipropylamine|N,N-Di-n-propylnitrosamine|N,N-Dipropylnitrosamine|NDPA|NSC 133|Propanamine, N-nitroso-N-propyl-|Propylamine, N-nitroso-N-di-|RCRA waste number U111|UNII-2920IH58NC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021032
ERPathway2016 ERPathway2016_899 N-Nitrosodi-n-propylamine 621-64-7 DTXSID6021032 ER Pathway Model, Agonist Model Score 0 Unitless CCCN(CCC)N=O N-Nitrosodi-n-propylamine 621-64-7|N-Nitrosodi-n-propylamine|1-Propanamine, N-nitroso-N-propyl-|BRN 1752621|Di-n-propylnitrosamine|Di-n-propylnitrosoamine|Dipropylamine, N-nitroso|Dipropylnitrosamine|EINECS 210-698-0|N-Nitroso-N-di-n-propylamine|N-Nitroso-N-propyl-1-propanamine|N-Nitrosodipropylamine|N,N-Di-n-propylnitrosamine|N,N-Dipropylnitrosamine|NDPA|NSC 133|Propanamine, N-nitroso-N-propyl-|Propylamine, N-nitroso-N-di-|RCRA waste number U111|UNII-2920IH58NC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021032
ERPathway2016 ERPathway2016_899 N-Nitrosodi-n-propylamine 621-64-7 DTXSID6021032 ER Pathway Model, Antagonist Model Score 0 Unitless CCCN(CCC)N=O N-Nitrosodi-n-propylamine 621-64-7|N-Nitrosodi-n-propylamine|1-Propanamine, N-nitroso-N-propyl-|BRN 1752621|Di-n-propylnitrosamine|Di-n-propylnitrosoamine|Dipropylamine, N-nitroso|Dipropylnitrosamine|EINECS 210-698-0|N-Nitroso-N-di-n-propylamine|N-Nitroso-N-propyl-1-propanamine|N-Nitrosodipropylamine|N,N-Di-n-propylnitrosamine|N,N-Dipropylnitrosamine|NDPA|NSC 133|Propanamine, N-nitroso-N-propyl-|Propylamine, N-nitroso-N-di-|RCRA waste number U111|UNII-2920IH58NC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021032
ERPathway2016 ERPathway2016_899 N-Nitrosodi-n-propylamine 621-64-7 DTXSID6021032 ER Pathway Model, Agonist Call Inactive Unitless CCCN(CCC)N=O N-Nitrosodi-n-propylamine 621-64-7|N-Nitrosodi-n-propylamine|1-Propanamine, N-nitroso-N-propyl-|BRN 1752621|Di-n-propylnitrosamine|Di-n-propylnitrosoamine|Dipropylamine, N-nitroso|Dipropylnitrosamine|EINECS 210-698-0|N-Nitroso-N-di-n-propylamine|N-Nitroso-N-propyl-1-propanamine|N-Nitrosodipropylamine|N,N-Di-n-propylnitrosamine|N,N-Dipropylnitrosamine|NDPA|NSC 133|Propanamine, N-nitroso-N-propyl-|Propylamine, N-nitroso-N-di-|RCRA waste number U111|UNII-2920IH58NC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021032
ERPathway2016 ERPathway2016_899 N-Nitrosodi-n-propylamine 621-64-7 DTXSID6021032 ER Pathway Model, Antagonist Call Inactive Unitless CCCN(CCC)N=O N-Nitrosodi-n-propylamine 621-64-7|N-Nitrosodi-n-propylamine|1-Propanamine, N-nitroso-N-propyl-|BRN 1752621|Di-n-propylnitrosamine|Di-n-propylnitrosoamine|Dipropylamine, N-nitroso|Dipropylnitrosamine|EINECS 210-698-0|N-Nitroso-N-di-n-propylamine|N-Nitroso-N-propyl-1-propanamine|N-Nitrosodipropylamine|N,N-Di-n-propylnitrosamine|N,N-Dipropylnitrosamine|NDPA|NSC 133|Propanamine, N-nitroso-N-propyl-|Propylamine, N-nitroso-N-di-|RCRA waste number U111|UNII-2920IH58NC https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021032
ARPathway2016 ARPathway2016_1652 N-Nitrosodiphenylamine 86-30-6 DTXSID6021030 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=NN(C1=CC=CC=C1)C1=CC=CC=C1 N-Nitrosodiphenylamine 86-30-6|N-Nitrosodiphenylamine|Benzenamine, N-nitroso-N-phenyl-|BRN 0909531|Curetard A|Delac J|difenilnitrosoamina|Difenylnitrosamin|Diphenyl N-nitrosoamine|Diphenylamine, N-nitroso-|Diphenylnitrosamin|Diphenylnitrosamine|EINECS 201-663-0|N-Nitroso-N-diphenylamine|N-Nitroso-N-phenyl benzenamine|N-Nitroso-N-phenylaniline|N-Nitrosodifenylamin|N-Phenyl-N-nitrosoaniline|N,N-Diphenyl-N-nitrosoamine|N,N-Diphenylnitrosamine|Naugard TJB|NCI-C02880|NDPhA|Nitrosodianiline|Nitrosodiphenylamin|nitrosodiphenylamine|Nitrous diphenylamide|NSC 585|Retarder J|UNII-AP2V89J1DA|Vulcalent A|Vulcatard A|Vulkalent A|Vultrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021030 https://doi.org/10.22427/NTP-DATA-DTXSID6021030
ARPathway2016 ARPathway2016_1652 N-Nitrosodiphenylamine 86-30-6 DTXSID6021030 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=NN(C1=CC=CC=C1)C1=CC=CC=C1 N-Nitrosodiphenylamine 86-30-6|N-Nitrosodiphenylamine|Benzenamine, N-nitroso-N-phenyl-|BRN 0909531|Curetard A|Delac J|difenilnitrosoamina|Difenylnitrosamin|Diphenyl N-nitrosoamine|Diphenylamine, N-nitroso-|Diphenylnitrosamin|Diphenylnitrosamine|EINECS 201-663-0|N-Nitroso-N-diphenylamine|N-Nitroso-N-phenyl benzenamine|N-Nitroso-N-phenylaniline|N-Nitrosodifenylamin|N-Phenyl-N-nitrosoaniline|N,N-Diphenyl-N-nitrosoamine|N,N-Diphenylnitrosamine|Naugard TJB|NCI-C02880|NDPhA|Nitrosodianiline|Nitrosodiphenylamin|nitrosodiphenylamine|Nitrous diphenylamide|NSC 585|Retarder J|UNII-AP2V89J1DA|Vulcalent A|Vulcatard A|Vulkalent A|Vultrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021030 https://doi.org/10.22427/NTP-DATA-DTXSID6021030
ARPathway2016 ARPathway2016_1652 N-Nitrosodiphenylamine 86-30-6 DTXSID6021030 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=NN(C1=CC=CC=C1)C1=CC=CC=C1 N-Nitrosodiphenylamine 86-30-6|N-Nitrosodiphenylamine|Benzenamine, N-nitroso-N-phenyl-|BRN 0909531|Curetard A|Delac J|difenilnitrosoamina|Difenylnitrosamin|Diphenyl N-nitrosoamine|Diphenylamine, N-nitroso-|Diphenylnitrosamin|Diphenylnitrosamine|EINECS 201-663-0|N-Nitroso-N-diphenylamine|N-Nitroso-N-phenyl benzenamine|N-Nitroso-N-phenylaniline|N-Nitrosodifenylamin|N-Phenyl-N-nitrosoaniline|N,N-Diphenyl-N-nitrosoamine|N,N-Diphenylnitrosamine|Naugard TJB|NCI-C02880|NDPhA|Nitrosodianiline|Nitrosodiphenylamin|nitrosodiphenylamine|Nitrous diphenylamide|NSC 585|Retarder J|UNII-AP2V89J1DA|Vulcalent A|Vulcatard A|Vulkalent A|Vultrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021030 https://doi.org/10.22427/NTP-DATA-DTXSID6021030
ARPathway2016 ARPathway2016_1652 N-Nitrosodiphenylamine 86-30-6 DTXSID6021030 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=NN(C1=CC=CC=C1)C1=CC=CC=C1 N-Nitrosodiphenylamine 86-30-6|N-Nitrosodiphenylamine|Benzenamine, N-nitroso-N-phenyl-|BRN 0909531|Curetard A|Delac J|difenilnitrosoamina|Difenylnitrosamin|Diphenyl N-nitrosoamine|Diphenylamine, N-nitroso-|Diphenylnitrosamin|Diphenylnitrosamine|EINECS 201-663-0|N-Nitroso-N-diphenylamine|N-Nitroso-N-phenyl benzenamine|N-Nitroso-N-phenylaniline|N-Nitrosodifenylamin|N-Phenyl-N-nitrosoaniline|N,N-Diphenyl-N-nitrosoamine|N,N-Diphenylnitrosamine|Naugard TJB|NCI-C02880|NDPhA|Nitrosodianiline|Nitrosodiphenylamin|nitrosodiphenylamine|Nitrous diphenylamide|NSC 585|Retarder J|UNII-AP2V89J1DA|Vulcalent A|Vulcatard A|Vulkalent A|Vultrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021030 https://doi.org/10.22427/NTP-DATA-DTXSID6021030
ERPathway2016 ERPathway2016_392 N-Nitrosodiphenylamine 86-30-6 DTXSID6021030 ER Pathway Model, Antagonist AC50 52.8197381379194 uM O=NN(C1=CC=CC=C1)C1=CC=CC=C1 N-Nitrosodiphenylamine 86-30-6|N-Nitrosodiphenylamine|Benzenamine, N-nitroso-N-phenyl-|BRN 0909531|Curetard A|Delac J|difenilnitrosoamina|Difenylnitrosamin|Diphenyl N-nitrosoamine|Diphenylamine, N-nitroso-|Diphenylnitrosamin|Diphenylnitrosamine|EINECS 201-663-0|N-Nitroso-N-diphenylamine|N-Nitroso-N-phenyl benzenamine|N-Nitroso-N-phenylaniline|N-Nitrosodifenylamin|N-Phenyl-N-nitrosoaniline|N,N-Diphenyl-N-nitrosoamine|N,N-Diphenylnitrosamine|Naugard TJB|NCI-C02880|NDPhA|Nitrosodianiline|Nitrosodiphenylamin|nitrosodiphenylamine|Nitrous diphenylamide|NSC 585|Retarder J|UNII-AP2V89J1DA|Vulcalent A|Vulcatard A|Vulkalent A|Vultrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021030 https://doi.org/10.22427/NTP-DATA-DTXSID6021030
ERPathway2016 ERPathway2016_392 N-Nitrosodiphenylamine 86-30-6 DTXSID6021030 ER Pathway Model, Antagonist ACC 42.3266805208628 uM O=NN(C1=CC=CC=C1)C1=CC=CC=C1 N-Nitrosodiphenylamine 86-30-6|N-Nitrosodiphenylamine|Benzenamine, N-nitroso-N-phenyl-|BRN 0909531|Curetard A|Delac J|difenilnitrosoamina|Difenylnitrosamin|Diphenyl N-nitrosoamine|Diphenylamine, N-nitroso-|Diphenylnitrosamin|Diphenylnitrosamine|EINECS 201-663-0|N-Nitroso-N-diphenylamine|N-Nitroso-N-phenyl benzenamine|N-Nitroso-N-phenylaniline|N-Nitrosodifenylamin|N-Phenyl-N-nitrosoaniline|N,N-Diphenyl-N-nitrosoamine|N,N-Diphenylnitrosamine|Naugard TJB|NCI-C02880|NDPhA|Nitrosodianiline|Nitrosodiphenylamin|nitrosodiphenylamine|Nitrous diphenylamide|NSC 585|Retarder J|UNII-AP2V89J1DA|Vulcalent A|Vulcatard A|Vulkalent A|Vultrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021030 https://doi.org/10.22427/NTP-DATA-DTXSID6021030
ERPathway2016 ERPathway2016_392 N-Nitrosodiphenylamine 86-30-6 DTXSID6021030 ER Pathway Model, Agonist Model Score 0.0102 Unitless O=NN(C1=CC=CC=C1)C1=CC=CC=C1 N-Nitrosodiphenylamine 86-30-6|N-Nitrosodiphenylamine|Benzenamine, N-nitroso-N-phenyl-|BRN 0909531|Curetard A|Delac J|difenilnitrosoamina|Difenylnitrosamin|Diphenyl N-nitrosoamine|Diphenylamine, N-nitroso-|Diphenylnitrosamin|Diphenylnitrosamine|EINECS 201-663-0|N-Nitroso-N-diphenylamine|N-Nitroso-N-phenyl benzenamine|N-Nitroso-N-phenylaniline|N-Nitrosodifenylamin|N-Phenyl-N-nitrosoaniline|N,N-Diphenyl-N-nitrosoamine|N,N-Diphenylnitrosamine|Naugard TJB|NCI-C02880|NDPhA|Nitrosodianiline|Nitrosodiphenylamin|nitrosodiphenylamine|Nitrous diphenylamide|NSC 585|Retarder J|UNII-AP2V89J1DA|Vulcalent A|Vulcatard A|Vulkalent A|Vultrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021030 https://doi.org/10.22427/NTP-DATA-DTXSID6021030
ERPathway2016 ERPathway2016_392 N-Nitrosodiphenylamine 86-30-6 DTXSID6021030 ER Pathway Model, Antagonist Model Score 0 Unitless O=NN(C1=CC=CC=C1)C1=CC=CC=C1 N-Nitrosodiphenylamine 86-30-6|N-Nitrosodiphenylamine|Benzenamine, N-nitroso-N-phenyl-|BRN 0909531|Curetard A|Delac J|difenilnitrosoamina|Difenylnitrosamin|Diphenyl N-nitrosoamine|Diphenylamine, N-nitroso-|Diphenylnitrosamin|Diphenylnitrosamine|EINECS 201-663-0|N-Nitroso-N-diphenylamine|N-Nitroso-N-phenyl benzenamine|N-Nitroso-N-phenylaniline|N-Nitrosodifenylamin|N-Phenyl-N-nitrosoaniline|N,N-Diphenyl-N-nitrosoamine|N,N-Diphenylnitrosamine|Naugard TJB|NCI-C02880|NDPhA|Nitrosodianiline|Nitrosodiphenylamin|nitrosodiphenylamine|Nitrous diphenylamide|NSC 585|Retarder J|UNII-AP2V89J1DA|Vulcalent A|Vulcatard A|Vulkalent A|Vultrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021030 https://doi.org/10.22427/NTP-DATA-DTXSID6021030
ERPathway2016 ERPathway2016_392 N-Nitrosodiphenylamine 86-30-6 DTXSID6021030 ER Pathway Model, Agonist Call Inactive Unitless O=NN(C1=CC=CC=C1)C1=CC=CC=C1 N-Nitrosodiphenylamine 86-30-6|N-Nitrosodiphenylamine|Benzenamine, N-nitroso-N-phenyl-|BRN 0909531|Curetard A|Delac J|difenilnitrosoamina|Difenylnitrosamin|Diphenyl N-nitrosoamine|Diphenylamine, N-nitroso-|Diphenylnitrosamin|Diphenylnitrosamine|EINECS 201-663-0|N-Nitroso-N-diphenylamine|N-Nitroso-N-phenyl benzenamine|N-Nitroso-N-phenylaniline|N-Nitrosodifenylamin|N-Phenyl-N-nitrosoaniline|N,N-Diphenyl-N-nitrosoamine|N,N-Diphenylnitrosamine|Naugard TJB|NCI-C02880|NDPhA|Nitrosodianiline|Nitrosodiphenylamin|nitrosodiphenylamine|Nitrous diphenylamide|NSC 585|Retarder J|UNII-AP2V89J1DA|Vulcalent A|Vulcatard A|Vulkalent A|Vultrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021030 https://doi.org/10.22427/NTP-DATA-DTXSID6021030
ERPathway2016 ERPathway2016_392 N-Nitrosodiphenylamine 86-30-6 DTXSID6021030 ER Pathway Model, Antagonist Call Active Unitless O=NN(C1=CC=CC=C1)C1=CC=CC=C1 N-Nitrosodiphenylamine 86-30-6|N-Nitrosodiphenylamine|Benzenamine, N-nitroso-N-phenyl-|BRN 0909531|Curetard A|Delac J|difenilnitrosoamina|Difenylnitrosamin|Diphenyl N-nitrosoamine|Diphenylamine, N-nitroso-|Diphenylnitrosamin|Diphenylnitrosamine|EINECS 201-663-0|N-Nitroso-N-diphenylamine|N-Nitroso-N-phenyl benzenamine|N-Nitroso-N-phenylaniline|N-Nitrosodifenylamin|N-Phenyl-N-nitrosoaniline|N,N-Diphenyl-N-nitrosoamine|N,N-Diphenylnitrosamine|Naugard TJB|NCI-C02880|NDPhA|Nitrosodianiline|Nitrosodiphenylamin|nitrosodiphenylamine|Nitrous diphenylamide|NSC 585|Retarder J|UNII-AP2V89J1DA|Vulcalent A|Vulcatard A|Vulkalent A|Vultrol https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021030 https://doi.org/10.22427/NTP-DATA-DTXSID6021030
ARPathway2016 ARPathway2016_1484 N-Nitroso-N-methylurea 684-93-5 DTXSID4021006 1.0 A4 AR Pathway Model, Antagonist Model Score 0 Unitless CN(N=O)C(N)=O N-Nitroso-N-methylurea 684-93-5|N-Nitroso-N-methylurea|1-Methyl-1-nitrosoharnstoff|1-Methyl-1-nitrosomocovina|1-methyl-1-nitrosourea|1-Methyl-1-nitrosouree|1-metil-1-nitrosourea|1-Nitroso-1-methylurea|Carbamide, N-methyl-N-nitroso-|EINECS 211-678-4|Methylnitroso-harnstoff|Methylnitrosourea|Methylnitrosouree|N-METHYL-N-NITROSO-HARNSTOFF|N-Methyl-N-nitrosourea|N-Nitroso-N-methyl-harnstoff|N-Nitroso-N-methylcarbamide|Nitrosomethylurea|NMU|NSC 23909|NSC-23909|O-Nitroso-N-methyl-harnstoff|RCRA waste number U177|UNII-W8KW4E3XSU|Urea, 1-methyl-1-nitroso-|Urea, N-methyl-N-nitroso-|126742-50-5|820-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021006 https://doi.org/10.22427/NTP-DATA-DTXSID4021006
ARPathway2016 ARPathway2016_1484 N-Nitroso-N-methylurea 684-93-5 DTXSID4021006 1.0 A4 AR Pathway Model, Agonist Model Score 0 Unitless CN(N=O)C(N)=O N-Nitroso-N-methylurea 684-93-5|N-Nitroso-N-methylurea|1-Methyl-1-nitrosoharnstoff|1-Methyl-1-nitrosomocovina|1-methyl-1-nitrosourea|1-Methyl-1-nitrosouree|1-metil-1-nitrosourea|1-Nitroso-1-methylurea|Carbamide, N-methyl-N-nitroso-|EINECS 211-678-4|Methylnitroso-harnstoff|Methylnitrosourea|Methylnitrosouree|N-METHYL-N-NITROSO-HARNSTOFF|N-Methyl-N-nitrosourea|N-Nitroso-N-methyl-harnstoff|N-Nitroso-N-methylcarbamide|Nitrosomethylurea|NMU|NSC 23909|NSC-23909|O-Nitroso-N-methyl-harnstoff|RCRA waste number U177|UNII-W8KW4E3XSU|Urea, 1-methyl-1-nitroso-|Urea, N-methyl-N-nitroso-|126742-50-5|820-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021006 https://doi.org/10.22427/NTP-DATA-DTXSID4021006
ARPathway2016 ARPathway2016_1484 N-Nitroso-N-methylurea 684-93-5 DTXSID4021006 1.0 A4 AR Pathway Model, Agonist Call Inactive Unitless CN(N=O)C(N)=O N-Nitroso-N-methylurea 684-93-5|N-Nitroso-N-methylurea|1-Methyl-1-nitrosoharnstoff|1-Methyl-1-nitrosomocovina|1-methyl-1-nitrosourea|1-Methyl-1-nitrosouree|1-metil-1-nitrosourea|1-Nitroso-1-methylurea|Carbamide, N-methyl-N-nitroso-|EINECS 211-678-4|Methylnitroso-harnstoff|Methylnitrosourea|Methylnitrosouree|N-METHYL-N-NITROSO-HARNSTOFF|N-Methyl-N-nitrosourea|N-Nitroso-N-methyl-harnstoff|N-Nitroso-N-methylcarbamide|Nitrosomethylurea|NMU|NSC 23909|NSC-23909|O-Nitroso-N-methyl-harnstoff|RCRA waste number U177|UNII-W8KW4E3XSU|Urea, 1-methyl-1-nitroso-|Urea, N-methyl-N-nitroso-|126742-50-5|820-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021006 https://doi.org/10.22427/NTP-DATA-DTXSID4021006
ARPathway2016 ARPathway2016_1484 N-Nitroso-N-methylurea 684-93-5 DTXSID4021006 1.0 A4 AR Pathway Model, Antagonist Call Inactive Unitless CN(N=O)C(N)=O N-Nitroso-N-methylurea 684-93-5|N-Nitroso-N-methylurea|1-Methyl-1-nitrosoharnstoff|1-Methyl-1-nitrosomocovina|1-methyl-1-nitrosourea|1-Methyl-1-nitrosouree|1-metil-1-nitrosourea|1-Nitroso-1-methylurea|Carbamide, N-methyl-N-nitroso-|EINECS 211-678-4|Methylnitroso-harnstoff|Methylnitrosourea|Methylnitrosouree|N-METHYL-N-NITROSO-HARNSTOFF|N-Methyl-N-nitrosourea|N-Nitroso-N-methyl-harnstoff|N-Nitroso-N-methylcarbamide|Nitrosomethylurea|NMU|NSC 23909|NSC-23909|O-Nitroso-N-methyl-harnstoff|RCRA waste number U177|UNII-W8KW4E3XSU|Urea, 1-methyl-1-nitroso-|Urea, N-methyl-N-nitroso-|126742-50-5|820-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021006 https://doi.org/10.22427/NTP-DATA-DTXSID4021006
ERPathway2016 ERPathway2016_62 N-Nitroso-N-methylurea 684-93-5 DTXSID4021006 A11 ER Pathway Model, Agonist AC50 26.8232586300201 uM CN(N=O)C(N)=O N-Nitroso-N-methylurea 684-93-5|N-Nitroso-N-methylurea|1-Methyl-1-nitrosoharnstoff|1-Methyl-1-nitrosomocovina|1-methyl-1-nitrosourea|1-Methyl-1-nitrosouree|1-metil-1-nitrosourea|1-Nitroso-1-methylurea|Carbamide, N-methyl-N-nitroso-|EINECS 211-678-4|Methylnitroso-harnstoff|Methylnitrosourea|Methylnitrosouree|N-METHYL-N-NITROSO-HARNSTOFF|N-Methyl-N-nitrosourea|N-Nitroso-N-methyl-harnstoff|N-Nitroso-N-methylcarbamide|Nitrosomethylurea|NMU|NSC 23909|NSC-23909|O-Nitroso-N-methyl-harnstoff|RCRA waste number U177|UNII-W8KW4E3XSU|Urea, 1-methyl-1-nitroso-|Urea, N-methyl-N-nitroso-|126742-50-5|820-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021006 https://doi.org/10.22427/NTP-DATA-DTXSID4021006
ERPathway2016 ERPathway2016_62 N-Nitroso-N-methylurea 684-93-5 DTXSID4021006 A11 ER Pathway Model, Agonist ACC 9.12899343641678 uM CN(N=O)C(N)=O N-Nitroso-N-methylurea 684-93-5|N-Nitroso-N-methylurea|1-Methyl-1-nitrosoharnstoff|1-Methyl-1-nitrosomocovina|1-methyl-1-nitrosourea|1-Methyl-1-nitrosouree|1-metil-1-nitrosourea|1-Nitroso-1-methylurea|Carbamide, N-methyl-N-nitroso-|EINECS 211-678-4|Methylnitroso-harnstoff|Methylnitrosourea|Methylnitrosouree|N-METHYL-N-NITROSO-HARNSTOFF|N-Methyl-N-nitrosourea|N-Nitroso-N-methyl-harnstoff|N-Nitroso-N-methylcarbamide|Nitrosomethylurea|NMU|NSC 23909|NSC-23909|O-Nitroso-N-methyl-harnstoff|RCRA waste number U177|UNII-W8KW4E3XSU|Urea, 1-methyl-1-nitroso-|Urea, N-methyl-N-nitroso-|126742-50-5|820-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021006 https://doi.org/10.22427/NTP-DATA-DTXSID4021006
ERPathway2016 ERPathway2016_62 N-Nitroso-N-methylurea 684-93-5 DTXSID4021006 A11 ER Pathway Model, Agonist Model Score 0 Unitless CN(N=O)C(N)=O N-Nitroso-N-methylurea 684-93-5|N-Nitroso-N-methylurea|1-Methyl-1-nitrosoharnstoff|1-Methyl-1-nitrosomocovina|1-methyl-1-nitrosourea|1-Methyl-1-nitrosouree|1-metil-1-nitrosourea|1-Nitroso-1-methylurea|Carbamide, N-methyl-N-nitroso-|EINECS 211-678-4|Methylnitroso-harnstoff|Methylnitrosourea|Methylnitrosouree|N-METHYL-N-NITROSO-HARNSTOFF|N-Methyl-N-nitrosourea|N-Nitroso-N-methyl-harnstoff|N-Nitroso-N-methylcarbamide|Nitrosomethylurea|NMU|NSC 23909|NSC-23909|O-Nitroso-N-methyl-harnstoff|RCRA waste number U177|UNII-W8KW4E3XSU|Urea, 1-methyl-1-nitroso-|Urea, N-methyl-N-nitroso-|126742-50-5|820-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021006 https://doi.org/10.22427/NTP-DATA-DTXSID4021006
ERPathway2016 ERPathway2016_62 N-Nitroso-N-methylurea 684-93-5 DTXSID4021006 A11 ER Pathway Model, Antagonist Model Score 0.00336 Unitless CN(N=O)C(N)=O N-Nitroso-N-methylurea 684-93-5|N-Nitroso-N-methylurea|1-Methyl-1-nitrosoharnstoff|1-Methyl-1-nitrosomocovina|1-methyl-1-nitrosourea|1-Methyl-1-nitrosouree|1-metil-1-nitrosourea|1-Nitroso-1-methylurea|Carbamide, N-methyl-N-nitroso-|EINECS 211-678-4|Methylnitroso-harnstoff|Methylnitrosourea|Methylnitrosouree|N-METHYL-N-NITROSO-HARNSTOFF|N-Methyl-N-nitrosourea|N-Nitroso-N-methyl-harnstoff|N-Nitroso-N-methylcarbamide|Nitrosomethylurea|NMU|NSC 23909|NSC-23909|O-Nitroso-N-methyl-harnstoff|RCRA waste number U177|UNII-W8KW4E3XSU|Urea, 1-methyl-1-nitroso-|Urea, N-methyl-N-nitroso-|126742-50-5|820-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021006 https://doi.org/10.22427/NTP-DATA-DTXSID4021006
ERPathway2016 ERPathway2016_62 N-Nitroso-N-methylurea 684-93-5 DTXSID4021006 A11 ER Pathway Model, Agonist Call Active Unitless CN(N=O)C(N)=O N-Nitroso-N-methylurea 684-93-5|N-Nitroso-N-methylurea|1-Methyl-1-nitrosoharnstoff|1-Methyl-1-nitrosomocovina|1-methyl-1-nitrosourea|1-Methyl-1-nitrosouree|1-metil-1-nitrosourea|1-Nitroso-1-methylurea|Carbamide, N-methyl-N-nitroso-|EINECS 211-678-4|Methylnitroso-harnstoff|Methylnitrosourea|Methylnitrosouree|N-METHYL-N-NITROSO-HARNSTOFF|N-Methyl-N-nitrosourea|N-Nitroso-N-methyl-harnstoff|N-Nitroso-N-methylcarbamide|Nitrosomethylurea|NMU|NSC 23909|NSC-23909|O-Nitroso-N-methyl-harnstoff|RCRA waste number U177|UNII-W8KW4E3XSU|Urea, 1-methyl-1-nitroso-|Urea, N-methyl-N-nitroso-|126742-50-5|820-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021006 https://doi.org/10.22427/NTP-DATA-DTXSID4021006
ERPathway2016 ERPathway2016_62 N-Nitroso-N-methylurea 684-93-5 DTXSID4021006 A11 ER Pathway Model, Antagonist Call Inactive Unitless CN(N=O)C(N)=O N-Nitroso-N-methylurea 684-93-5|N-Nitroso-N-methylurea|1-Methyl-1-nitrosoharnstoff|1-Methyl-1-nitrosomocovina|1-methyl-1-nitrosourea|1-Methyl-1-nitrosouree|1-metil-1-nitrosourea|1-Nitroso-1-methylurea|Carbamide, N-methyl-N-nitroso-|EINECS 211-678-4|Methylnitroso-harnstoff|Methylnitrosourea|Methylnitrosouree|N-METHYL-N-NITROSO-HARNSTOFF|N-Methyl-N-nitrosourea|N-Nitroso-N-methyl-harnstoff|N-Nitroso-N-methylcarbamide|Nitrosomethylurea|NMU|NSC 23909|NSC-23909|O-Nitroso-N-methyl-harnstoff|RCRA waste number U177|UNII-W8KW4E3XSU|Urea, 1-methyl-1-nitroso-|Urea, N-methyl-N-nitroso-|126742-50-5|820-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021006 https://doi.org/10.22427/NTP-DATA-DTXSID4021006
ARPathway2016 ARPathway2016_1724 N-Nitrosopyrrolidine 930-55-2 DTXSID8021062 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless O=NN1CCCC1 N-Nitrosopyrrolidine 930-55-2|N-Nitrosopyrrolidine|1-nitrosopirrolidina|1-Nitrosopyrrolidin|1-Nitrosopyrrolidine|1-Pyrrolidinamine, N-nitroso-|5-20-01-00521|BRN 0107615|EINECS 213-218-8|N-Nitrosopyrrolidin|NPYR|NSC 18797|Pyrrole, tetrahydro-N-nitroso-|Pyrrolidine, 1-nitroso-|RCRA waste number U180|UNII-SZ4J5WK201|68374-63-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021062
ARPathway2016 ARPathway2016_1724 N-Nitrosopyrrolidine 930-55-2 DTXSID8021062 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless O=NN1CCCC1 N-Nitrosopyrrolidine 930-55-2|N-Nitrosopyrrolidine|1-nitrosopirrolidina|1-Nitrosopyrrolidin|1-Nitrosopyrrolidine|1-Pyrrolidinamine, N-nitroso-|5-20-01-00521|BRN 0107615|EINECS 213-218-8|N-Nitrosopyrrolidin|NPYR|NSC 18797|Pyrrole, tetrahydro-N-nitroso-|Pyrrolidine, 1-nitroso-|RCRA waste number U180|UNII-SZ4J5WK201|68374-63-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021062
ARPathway2016 ARPathway2016_1724 N-Nitrosopyrrolidine 930-55-2 DTXSID8021062 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless O=NN1CCCC1 N-Nitrosopyrrolidine 930-55-2|N-Nitrosopyrrolidine|1-nitrosopirrolidina|1-Nitrosopyrrolidin|1-Nitrosopyrrolidine|1-Pyrrolidinamine, N-nitroso-|5-20-01-00521|BRN 0107615|EINECS 213-218-8|N-Nitrosopyrrolidin|NPYR|NSC 18797|Pyrrole, tetrahydro-N-nitroso-|Pyrrolidine, 1-nitroso-|RCRA waste number U180|UNII-SZ4J5WK201|68374-63-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021062
ARPathway2016 ARPathway2016_1724 N-Nitrosopyrrolidine 930-55-2 DTXSID8021062 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless O=NN1CCCC1 N-Nitrosopyrrolidine 930-55-2|N-Nitrosopyrrolidine|1-nitrosopirrolidina|1-Nitrosopyrrolidin|1-Nitrosopyrrolidine|1-Pyrrolidinamine, N-nitroso-|5-20-01-00521|BRN 0107615|EINECS 213-218-8|N-Nitrosopyrrolidin|NPYR|NSC 18797|Pyrrole, tetrahydro-N-nitroso-|Pyrrolidine, 1-nitroso-|RCRA waste number U180|UNII-SZ4J5WK201|68374-63-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021062
ERPathway2016 ERPathway2016_480 N-Nitrosopyrrolidine 930-55-2 DTXSID8021062 ER Pathway Model, Antagonist AC50 65.4692922315056 uM O=NN1CCCC1 N-Nitrosopyrrolidine 930-55-2|N-Nitrosopyrrolidine|1-nitrosopirrolidina|1-Nitrosopyrrolidin|1-Nitrosopyrrolidine|1-Pyrrolidinamine, N-nitroso-|5-20-01-00521|BRN 0107615|EINECS 213-218-8|N-Nitrosopyrrolidin|NPYR|NSC 18797|Pyrrole, tetrahydro-N-nitroso-|Pyrrolidine, 1-nitroso-|RCRA waste number U180|UNII-SZ4J5WK201|68374-63-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021062
ERPathway2016 ERPathway2016_480 N-Nitrosopyrrolidine 930-55-2 DTXSID8021062 ER Pathway Model, Antagonist ACC 22.5051698342228 uM O=NN1CCCC1 N-Nitrosopyrrolidine 930-55-2|N-Nitrosopyrrolidine|1-nitrosopirrolidina|1-Nitrosopyrrolidin|1-Nitrosopyrrolidine|1-Pyrrolidinamine, N-nitroso-|5-20-01-00521|BRN 0107615|EINECS 213-218-8|N-Nitrosopyrrolidin|NPYR|NSC 18797|Pyrrole, tetrahydro-N-nitroso-|Pyrrolidine, 1-nitroso-|RCRA waste number U180|UNII-SZ4J5WK201|68374-63-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021062
ERPathway2016 ERPathway2016_480 N-Nitrosopyrrolidine 930-55-2 DTXSID8021062 ER Pathway Model, Agonist Model Score 0.00171 Unitless O=NN1CCCC1 N-Nitrosopyrrolidine 930-55-2|N-Nitrosopyrrolidine|1-nitrosopirrolidina|1-Nitrosopyrrolidin|1-Nitrosopyrrolidine|1-Pyrrolidinamine, N-nitroso-|5-20-01-00521|BRN 0107615|EINECS 213-218-8|N-Nitrosopyrrolidin|NPYR|NSC 18797|Pyrrole, tetrahydro-N-nitroso-|Pyrrolidine, 1-nitroso-|RCRA waste number U180|UNII-SZ4J5WK201|68374-63-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021062
ERPathway2016 ERPathway2016_480 N-Nitrosopyrrolidine 930-55-2 DTXSID8021062 ER Pathway Model, Antagonist Model Score 0 Unitless O=NN1CCCC1 N-Nitrosopyrrolidine 930-55-2|N-Nitrosopyrrolidine|1-nitrosopirrolidina|1-Nitrosopyrrolidin|1-Nitrosopyrrolidine|1-Pyrrolidinamine, N-nitroso-|5-20-01-00521|BRN 0107615|EINECS 213-218-8|N-Nitrosopyrrolidin|NPYR|NSC 18797|Pyrrole, tetrahydro-N-nitroso-|Pyrrolidine, 1-nitroso-|RCRA waste number U180|UNII-SZ4J5WK201|68374-63-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021062
ERPathway2016 ERPathway2016_480 N-Nitrosopyrrolidine 930-55-2 DTXSID8021062 ER Pathway Model, Agonist Call Inactive Unitless O=NN1CCCC1 N-Nitrosopyrrolidine 930-55-2|N-Nitrosopyrrolidine|1-nitrosopirrolidina|1-Nitrosopyrrolidin|1-Nitrosopyrrolidine|1-Pyrrolidinamine, N-nitroso-|5-20-01-00521|BRN 0107615|EINECS 213-218-8|N-Nitrosopyrrolidin|NPYR|NSC 18797|Pyrrole, tetrahydro-N-nitroso-|Pyrrolidine, 1-nitroso-|RCRA waste number U180|UNII-SZ4J5WK201|68374-63-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021062
ERPathway2016 ERPathway2016_480 N-Nitrosopyrrolidine 930-55-2 DTXSID8021062 ER Pathway Model, Antagonist Call Active Unitless O=NN1CCCC1 N-Nitrosopyrrolidine 930-55-2|N-Nitrosopyrrolidine|1-nitrosopirrolidina|1-Nitrosopyrrolidin|1-Nitrosopyrrolidine|1-Pyrrolidinamine, N-nitroso-|5-20-01-00521|BRN 0107615|EINECS 213-218-8|N-Nitrosopyrrolidin|NPYR|NSC 18797|Pyrrole, tetrahydro-N-nitroso-|Pyrrolidine, 1-nitroso-|RCRA waste number U180|UNII-SZ4J5WK201|68374-63-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021062
ARPathway2016 ARPathway2016_734 Nonanal 124-19-6 DTXSID9021639 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCC=O Nonanal 124-19-6|Nonanal|1-Nonaldehyde|1-Nonyl aldehyde|4-01-00-03352|Aldehyde C 09|Aldehyde C 9|ALDEHYDE C-9|BRN 1236701|C-9 aldehyde|EINECS 204-688-5|FEMA No. 2782|n-Nonaldehyde|n-Nonanal|n-Nonylaldehyde|NCI-C61018|Nonaldehyde|Nonanaldehyde|Nonanoic aldehyde|Nonoic aldehyde|nonyl aldehyde|NONYL ALDEHYDE,N-|Nonylaldehyde|Nonylic aldehyde|NSC 5518|Pelargonaldehyde|Pelargonic aldehyde|UNII-2L2WBY9K6T|918959-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021639 https://doi.org/10.22427/NTP-DATA-DTXSID9021639
ARPathway2016 ARPathway2016_734 Nonanal 124-19-6 DTXSID9021639 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCC=O Nonanal 124-19-6|Nonanal|1-Nonaldehyde|1-Nonyl aldehyde|4-01-00-03352|Aldehyde C 09|Aldehyde C 9|ALDEHYDE C-9|BRN 1236701|C-9 aldehyde|EINECS 204-688-5|FEMA No. 2782|n-Nonaldehyde|n-Nonanal|n-Nonylaldehyde|NCI-C61018|Nonaldehyde|Nonanaldehyde|Nonanoic aldehyde|Nonoic aldehyde|nonyl aldehyde|NONYL ALDEHYDE,N-|Nonylaldehyde|Nonylic aldehyde|NSC 5518|Pelargonaldehyde|Pelargonic aldehyde|UNII-2L2WBY9K6T|918959-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021639 https://doi.org/10.22427/NTP-DATA-DTXSID9021639
ARPathway2016 ARPathway2016_734 Nonanal 124-19-6 DTXSID9021639 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCC=O Nonanal 124-19-6|Nonanal|1-Nonaldehyde|1-Nonyl aldehyde|4-01-00-03352|Aldehyde C 09|Aldehyde C 9|ALDEHYDE C-9|BRN 1236701|C-9 aldehyde|EINECS 204-688-5|FEMA No. 2782|n-Nonaldehyde|n-Nonanal|n-Nonylaldehyde|NCI-C61018|Nonaldehyde|Nonanaldehyde|Nonanoic aldehyde|Nonoic aldehyde|nonyl aldehyde|NONYL ALDEHYDE,N-|Nonylaldehyde|Nonylic aldehyde|NSC 5518|Pelargonaldehyde|Pelargonic aldehyde|UNII-2L2WBY9K6T|918959-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021639 https://doi.org/10.22427/NTP-DATA-DTXSID9021639
ARPathway2016 ARPathway2016_734 Nonanal 124-19-6 DTXSID9021639 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC=O Nonanal 124-19-6|Nonanal|1-Nonaldehyde|1-Nonyl aldehyde|4-01-00-03352|Aldehyde C 09|Aldehyde C 9|ALDEHYDE C-9|BRN 1236701|C-9 aldehyde|EINECS 204-688-5|FEMA No. 2782|n-Nonaldehyde|n-Nonanal|n-Nonylaldehyde|NCI-C61018|Nonaldehyde|Nonanaldehyde|Nonanoic aldehyde|Nonoic aldehyde|nonyl aldehyde|NONYL ALDEHYDE,N-|Nonylaldehyde|Nonylic aldehyde|NSC 5518|Pelargonaldehyde|Pelargonic aldehyde|UNII-2L2WBY9K6T|918959-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021639 https://doi.org/10.22427/NTP-DATA-DTXSID9021639
ERPathway2016 ERPathway2016_1245 Nonanal 124-19-6 DTXSID9021639 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCC=O Nonanal 124-19-6|Nonanal|1-Nonaldehyde|1-Nonyl aldehyde|4-01-00-03352|Aldehyde C 09|Aldehyde C 9|ALDEHYDE C-9|BRN 1236701|C-9 aldehyde|EINECS 204-688-5|FEMA No. 2782|n-Nonaldehyde|n-Nonanal|n-Nonylaldehyde|NCI-C61018|Nonaldehyde|Nonanaldehyde|Nonanoic aldehyde|Nonoic aldehyde|nonyl aldehyde|NONYL ALDEHYDE,N-|Nonylaldehyde|Nonylic aldehyde|NSC 5518|Pelargonaldehyde|Pelargonic aldehyde|UNII-2L2WBY9K6T|918959-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021639 https://doi.org/10.22427/NTP-DATA-DTXSID9021639
ERPathway2016 ERPathway2016_1245 Nonanal 124-19-6 DTXSID9021639 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCC=O Nonanal 124-19-6|Nonanal|1-Nonaldehyde|1-Nonyl aldehyde|4-01-00-03352|Aldehyde C 09|Aldehyde C 9|ALDEHYDE C-9|BRN 1236701|C-9 aldehyde|EINECS 204-688-5|FEMA No. 2782|n-Nonaldehyde|n-Nonanal|n-Nonylaldehyde|NCI-C61018|Nonaldehyde|Nonanaldehyde|Nonanoic aldehyde|Nonoic aldehyde|nonyl aldehyde|NONYL ALDEHYDE,N-|Nonylaldehyde|Nonylic aldehyde|NSC 5518|Pelargonaldehyde|Pelargonic aldehyde|UNII-2L2WBY9K6T|918959-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021639 https://doi.org/10.22427/NTP-DATA-DTXSID9021639
ERPathway2016 ERPathway2016_1245 Nonanal 124-19-6 DTXSID9021639 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCC=O Nonanal 124-19-6|Nonanal|1-Nonaldehyde|1-Nonyl aldehyde|4-01-00-03352|Aldehyde C 09|Aldehyde C 9|ALDEHYDE C-9|BRN 1236701|C-9 aldehyde|EINECS 204-688-5|FEMA No. 2782|n-Nonaldehyde|n-Nonanal|n-Nonylaldehyde|NCI-C61018|Nonaldehyde|Nonanaldehyde|Nonanoic aldehyde|Nonoic aldehyde|nonyl aldehyde|NONYL ALDEHYDE,N-|Nonylaldehyde|Nonylic aldehyde|NSC 5518|Pelargonaldehyde|Pelargonic aldehyde|UNII-2L2WBY9K6T|918959-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021639 https://doi.org/10.22427/NTP-DATA-DTXSID9021639
ERPathway2016 ERPathway2016_1245 Nonanal 124-19-6 DTXSID9021639 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC=O Nonanal 124-19-6|Nonanal|1-Nonaldehyde|1-Nonyl aldehyde|4-01-00-03352|Aldehyde C 09|Aldehyde C 9|ALDEHYDE C-9|BRN 1236701|C-9 aldehyde|EINECS 204-688-5|FEMA No. 2782|n-Nonaldehyde|n-Nonanal|n-Nonylaldehyde|NCI-C61018|Nonaldehyde|Nonanaldehyde|Nonanoic aldehyde|Nonoic aldehyde|nonyl aldehyde|NONYL ALDEHYDE,N-|Nonylaldehyde|Nonylic aldehyde|NSC 5518|Pelargonaldehyde|Pelargonic aldehyde|UNII-2L2WBY9K6T|918959-88-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021639 https://doi.org/10.22427/NTP-DATA-DTXSID9021639
ARPathway2016 ARPathway2016_580 Nonane 111-84-2 DTXSID9025796 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCC Nonane 111-84-2|Nonane|CH3-[CH2]7-CH3|EINECS 203-913-4|n-Nonane|Nonan|Nonyl hydride|NSC 72430|Shellsol 140|UN 1920|UNII-T9W3VH6G10|875820-94-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025796 https://doi.org/10.22427/NTP-DATA-DTXSID9025796
ARPathway2016 ARPathway2016_580 Nonane 111-84-2 DTXSID9025796 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCC Nonane 111-84-2|Nonane|CH3-[CH2]7-CH3|EINECS 203-913-4|n-Nonane|Nonan|Nonyl hydride|NSC 72430|Shellsol 140|UN 1920|UNII-T9W3VH6G10|875820-94-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025796 https://doi.org/10.22427/NTP-DATA-DTXSID9025796
ARPathway2016 ARPathway2016_580 Nonane 111-84-2 DTXSID9025796 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCC Nonane 111-84-2|Nonane|CH3-[CH2]7-CH3|EINECS 203-913-4|n-Nonane|Nonan|Nonyl hydride|NSC 72430|Shellsol 140|UN 1920|UNII-T9W3VH6G10|875820-94-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025796 https://doi.org/10.22427/NTP-DATA-DTXSID9025796
ARPathway2016 ARPathway2016_580 Nonane 111-84-2 DTXSID9025796 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC Nonane 111-84-2|Nonane|CH3-[CH2]7-CH3|EINECS 203-913-4|n-Nonane|Nonan|Nonyl hydride|NSC 72430|Shellsol 140|UN 1920|UNII-T9W3VH6G10|875820-94-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025796 https://doi.org/10.22427/NTP-DATA-DTXSID9025796
ERPathway2016 ERPathway2016_955 Nonane 111-84-2 DTXSID9025796 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCC Nonane 111-84-2|Nonane|CH3-[CH2]7-CH3|EINECS 203-913-4|n-Nonane|Nonan|Nonyl hydride|NSC 72430|Shellsol 140|UN 1920|UNII-T9W3VH6G10|875820-94-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025796 https://doi.org/10.22427/NTP-DATA-DTXSID9025796
ERPathway2016 ERPathway2016_955 Nonane 111-84-2 DTXSID9025796 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCC Nonane 111-84-2|Nonane|CH3-[CH2]7-CH3|EINECS 203-913-4|n-Nonane|Nonan|Nonyl hydride|NSC 72430|Shellsol 140|UN 1920|UNII-T9W3VH6G10|875820-94-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025796 https://doi.org/10.22427/NTP-DATA-DTXSID9025796
ERPathway2016 ERPathway2016_955 Nonane 111-84-2 DTXSID9025796 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCC Nonane 111-84-2|Nonane|CH3-[CH2]7-CH3|EINECS 203-913-4|n-Nonane|Nonan|Nonyl hydride|NSC 72430|Shellsol 140|UN 1920|UNII-T9W3VH6G10|875820-94-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025796 https://doi.org/10.22427/NTP-DATA-DTXSID9025796
ERPathway2016 ERPathway2016_955 Nonane 111-84-2 DTXSID9025796 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC Nonane 111-84-2|Nonane|CH3-[CH2]7-CH3|EINECS 203-913-4|n-Nonane|Nonan|Nonyl hydride|NSC 72430|Shellsol 140|UN 1920|UNII-T9W3VH6G10|875820-94-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9025796 https://doi.org/10.22427/NTP-DATA-DTXSID9025796
ARPathway2016 ARPathway2016_727 Nonanedioic acid 123-99-9 DTXSID8021640 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CCCCCCCC(O)=O Nonanedioic acid 123-99-9|Nonanedioic acid|1,7-Dicarboxyheptane|1,7-Heptanedicarboxylate|1,7-Heptanedicarboxylic acid|1,9-Nonanedioate|1,9-Nonanedioic acid|4-02-00-02055|Acide azelaique|acido azelaico|Acidum azelaicum|Anchoate|Anchoic acid|Azalaic acid|Azelaic acid|Azelaic acid, technical grade|Azelaicacidtech|Azelainic acid|Azelainsaure|Azelate|Azelex|BRN 1101094|EINECS 204-669-1|Emerox 1144|Emery 1110|Emery 1144|Empol 1144|Finacea|Finevin|Heptanedicarboxylic acid|Lepargylate|Lepargylic acid|N-Nonanedioate|n-Nonanedioic acid|Nonandioic acid|Nonanedioate|Nonanedioic acid azelaic acid|Nonanedioic acid homopolymer|NSC 19493|Poly(azelaic anhydride)|Polyazelaic anhydride|Skinoren|UNII-F2VW3D43YT|ZK 62498|1219811-33-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021640
ARPathway2016 ARPathway2016_727 Nonanedioic acid 123-99-9 DTXSID8021640 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)CCCCCCCC(O)=O Nonanedioic acid 123-99-9|Nonanedioic acid|1,7-Dicarboxyheptane|1,7-Heptanedicarboxylate|1,7-Heptanedicarboxylic acid|1,9-Nonanedioate|1,9-Nonanedioic acid|4-02-00-02055|Acide azelaique|acido azelaico|Acidum azelaicum|Anchoate|Anchoic acid|Azalaic acid|Azelaic acid|Azelaic acid, technical grade|Azelaicacidtech|Azelainic acid|Azelainsaure|Azelate|Azelex|BRN 1101094|EINECS 204-669-1|Emerox 1144|Emery 1110|Emery 1144|Empol 1144|Finacea|Finevin|Heptanedicarboxylic acid|Lepargylate|Lepargylic acid|N-Nonanedioate|n-Nonanedioic acid|Nonandioic acid|Nonanedioate|Nonanedioic acid azelaic acid|Nonanedioic acid homopolymer|NSC 19493|Poly(azelaic anhydride)|Polyazelaic anhydride|Skinoren|UNII-F2VW3D43YT|ZK 62498|1219811-33-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021640
ARPathway2016 ARPathway2016_727 Nonanedioic acid 123-99-9 DTXSID8021640 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)CCCCCCCC(O)=O Nonanedioic acid 123-99-9|Nonanedioic acid|1,7-Dicarboxyheptane|1,7-Heptanedicarboxylate|1,7-Heptanedicarboxylic acid|1,9-Nonanedioate|1,9-Nonanedioic acid|4-02-00-02055|Acide azelaique|acido azelaico|Acidum azelaicum|Anchoate|Anchoic acid|Azalaic acid|Azelaic acid|Azelaic acid, technical grade|Azelaicacidtech|Azelainic acid|Azelainsaure|Azelate|Azelex|BRN 1101094|EINECS 204-669-1|Emerox 1144|Emery 1110|Emery 1144|Empol 1144|Finacea|Finevin|Heptanedicarboxylic acid|Lepargylate|Lepargylic acid|N-Nonanedioate|n-Nonanedioic acid|Nonandioic acid|Nonanedioate|Nonanedioic acid azelaic acid|Nonanedioic acid homopolymer|NSC 19493|Poly(azelaic anhydride)|Polyazelaic anhydride|Skinoren|UNII-F2VW3D43YT|ZK 62498|1219811-33-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021640
ARPathway2016 ARPathway2016_727 Nonanedioic acid 123-99-9 DTXSID8021640 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)CCCCCCCC(O)=O Nonanedioic acid 123-99-9|Nonanedioic acid|1,7-Dicarboxyheptane|1,7-Heptanedicarboxylate|1,7-Heptanedicarboxylic acid|1,9-Nonanedioate|1,9-Nonanedioic acid|4-02-00-02055|Acide azelaique|acido azelaico|Acidum azelaicum|Anchoate|Anchoic acid|Azalaic acid|Azelaic acid|Azelaic acid, technical grade|Azelaicacidtech|Azelainic acid|Azelainsaure|Azelate|Azelex|BRN 1101094|EINECS 204-669-1|Emerox 1144|Emery 1110|Emery 1144|Empol 1144|Finacea|Finevin|Heptanedicarboxylic acid|Lepargylate|Lepargylic acid|N-Nonanedioate|n-Nonanedioic acid|Nonandioic acid|Nonanedioate|Nonanedioic acid azelaic acid|Nonanedioic acid homopolymer|NSC 19493|Poly(azelaic anhydride)|Polyazelaic anhydride|Skinoren|UNII-F2VW3D43YT|ZK 62498|1219811-33-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021640
ERPathway2016 ERPathway2016_1240 Nonanedioic acid 123-99-9 DTXSID8021640 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)CCCCCCCC(O)=O Nonanedioic acid 123-99-9|Nonanedioic acid|1,7-Dicarboxyheptane|1,7-Heptanedicarboxylate|1,7-Heptanedicarboxylic acid|1,9-Nonanedioate|1,9-Nonanedioic acid|4-02-00-02055|Acide azelaique|acido azelaico|Acidum azelaicum|Anchoate|Anchoic acid|Azalaic acid|Azelaic acid|Azelaic acid, technical grade|Azelaicacidtech|Azelainic acid|Azelainsaure|Azelate|Azelex|BRN 1101094|EINECS 204-669-1|Emerox 1144|Emery 1110|Emery 1144|Empol 1144|Finacea|Finevin|Heptanedicarboxylic acid|Lepargylate|Lepargylic acid|N-Nonanedioate|n-Nonanedioic acid|Nonandioic acid|Nonanedioate|Nonanedioic acid azelaic acid|Nonanedioic acid homopolymer|NSC 19493|Poly(azelaic anhydride)|Polyazelaic anhydride|Skinoren|UNII-F2VW3D43YT|ZK 62498|1219811-33-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021640
ERPathway2016 ERPathway2016_1240 Nonanedioic acid 123-99-9 DTXSID8021640 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CCCCCCCC(O)=O Nonanedioic acid 123-99-9|Nonanedioic acid|1,7-Dicarboxyheptane|1,7-Heptanedicarboxylate|1,7-Heptanedicarboxylic acid|1,9-Nonanedioate|1,9-Nonanedioic acid|4-02-00-02055|Acide azelaique|acido azelaico|Acidum azelaicum|Anchoate|Anchoic acid|Azalaic acid|Azelaic acid|Azelaic acid, technical grade|Azelaicacidtech|Azelainic acid|Azelainsaure|Azelate|Azelex|BRN 1101094|EINECS 204-669-1|Emerox 1144|Emery 1110|Emery 1144|Empol 1144|Finacea|Finevin|Heptanedicarboxylic acid|Lepargylate|Lepargylic acid|N-Nonanedioate|n-Nonanedioic acid|Nonandioic acid|Nonanedioate|Nonanedioic acid azelaic acid|Nonanedioic acid homopolymer|NSC 19493|Poly(azelaic anhydride)|Polyazelaic anhydride|Skinoren|UNII-F2VW3D43YT|ZK 62498|1219811-33-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021640
ERPathway2016 ERPathway2016_1240 Nonanedioic acid 123-99-9 DTXSID8021640 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)CCCCCCCC(O)=O Nonanedioic acid 123-99-9|Nonanedioic acid|1,7-Dicarboxyheptane|1,7-Heptanedicarboxylate|1,7-Heptanedicarboxylic acid|1,9-Nonanedioate|1,9-Nonanedioic acid|4-02-00-02055|Acide azelaique|acido azelaico|Acidum azelaicum|Anchoate|Anchoic acid|Azalaic acid|Azelaic acid|Azelaic acid, technical grade|Azelaicacidtech|Azelainic acid|Azelainsaure|Azelate|Azelex|BRN 1101094|EINECS 204-669-1|Emerox 1144|Emery 1110|Emery 1144|Empol 1144|Finacea|Finevin|Heptanedicarboxylic acid|Lepargylate|Lepargylic acid|N-Nonanedioate|n-Nonanedioic acid|Nonandioic acid|Nonanedioate|Nonanedioic acid azelaic acid|Nonanedioic acid homopolymer|NSC 19493|Poly(azelaic anhydride)|Polyazelaic anhydride|Skinoren|UNII-F2VW3D43YT|ZK 62498|1219811-33-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021640
ERPathway2016 ERPathway2016_1240 Nonanedioic acid 123-99-9 DTXSID8021640 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)CCCCCCCC(O)=O Nonanedioic acid 123-99-9|Nonanedioic acid|1,7-Dicarboxyheptane|1,7-Heptanedicarboxylate|1,7-Heptanedicarboxylic acid|1,9-Nonanedioate|1,9-Nonanedioic acid|4-02-00-02055|Acide azelaique|acido azelaico|Acidum azelaicum|Anchoate|Anchoic acid|Azalaic acid|Azelaic acid|Azelaic acid, technical grade|Azelaicacidtech|Azelainic acid|Azelainsaure|Azelate|Azelex|BRN 1101094|EINECS 204-669-1|Emerox 1144|Emery 1110|Emery 1144|Empol 1144|Finacea|Finevin|Heptanedicarboxylic acid|Lepargylate|Lepargylic acid|N-Nonanedioate|n-Nonanedioic acid|Nonandioic acid|Nonanedioate|Nonanedioic acid azelaic acid|Nonanedioic acid homopolymer|NSC 19493|Poly(azelaic anhydride)|Polyazelaic anhydride|Skinoren|UNII-F2VW3D43YT|ZK 62498|1219811-33-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021640
ARPathway2016 ARPathway2016_593 Nonanoic acid 112-05-0 DTXSID3021641 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCC(O)=O Nonanoic acid 112-05-0|Nonanoic acid|1-Nonanoate|1-nonanoic acid|1-Octanecarboxyic acid|1-Octanecarboxylate|1-Octanecarboxylic acid|4-02-00-01018|Acide nonanoique|acido nonanoico|BRN 1752351|CH3-[CH2]7-COOH|Cirrasol 185a|EINECS 203-931-2|Emery 1202|Emery'S L-114|Emfac 1202|EPA Pesticide Chemical Code 217500|FEMA No. 2784|Grantrico|Hexacid C-9|N-Nonanoate|N-NONANOIC ACID|N-Nonoate|n-Nonoic acid|N-Nonylate|n-Nonylic acid|N-Pelargonate|n-Pelargonic acid|Nonanoate|Nonansaeure|Nonansaure|Nonoate|Nonoic acid|Nonylate|Nonylic acid|NSC 62787|NSC 65450|NSC 65455|Pelargate|Pelargic acid|pelargon|Pelargonate|Pelargonic acid|PELARGONIC-ACID, C9|PELARGONSAEURE|Pergonate|Pergonic acid|UNII-97SEH7577T https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021641 https://doi.org/10.22427/NTP-DATA-DTXSID3021641
ARPathway2016 ARPathway2016_593 Nonanoic acid 112-05-0 DTXSID3021641 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCC(O)=O Nonanoic acid 112-05-0|Nonanoic acid|1-Nonanoate|1-nonanoic acid|1-Octanecarboxyic acid|1-Octanecarboxylate|1-Octanecarboxylic acid|4-02-00-01018|Acide nonanoique|acido nonanoico|BRN 1752351|CH3-[CH2]7-COOH|Cirrasol 185a|EINECS 203-931-2|Emery 1202|Emery'S L-114|Emfac 1202|EPA Pesticide Chemical Code 217500|FEMA No. 2784|Grantrico|Hexacid C-9|N-Nonanoate|N-NONANOIC ACID|N-Nonoate|n-Nonoic acid|N-Nonylate|n-Nonylic acid|N-Pelargonate|n-Pelargonic acid|Nonanoate|Nonansaeure|Nonansaure|Nonoate|Nonoic acid|Nonylate|Nonylic acid|NSC 62787|NSC 65450|NSC 65455|Pelargate|Pelargic acid|pelargon|Pelargonate|Pelargonic acid|PELARGONIC-ACID, C9|PELARGONSAEURE|Pergonate|Pergonic acid|UNII-97SEH7577T https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021641 https://doi.org/10.22427/NTP-DATA-DTXSID3021641
ARPathway2016 ARPathway2016_593 Nonanoic acid 112-05-0 DTXSID3021641 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCC(O)=O Nonanoic acid 112-05-0|Nonanoic acid|1-Nonanoate|1-nonanoic acid|1-Octanecarboxyic acid|1-Octanecarboxylate|1-Octanecarboxylic acid|4-02-00-01018|Acide nonanoique|acido nonanoico|BRN 1752351|CH3-[CH2]7-COOH|Cirrasol 185a|EINECS 203-931-2|Emery 1202|Emery'S L-114|Emfac 1202|EPA Pesticide Chemical Code 217500|FEMA No. 2784|Grantrico|Hexacid C-9|N-Nonanoate|N-NONANOIC ACID|N-Nonoate|n-Nonoic acid|N-Nonylate|n-Nonylic acid|N-Pelargonate|n-Pelargonic acid|Nonanoate|Nonansaeure|Nonansaure|Nonoate|Nonoic acid|Nonylate|Nonylic acid|NSC 62787|NSC 65450|NSC 65455|Pelargate|Pelargic acid|pelargon|Pelargonate|Pelargonic acid|PELARGONIC-ACID, C9|PELARGONSAEURE|Pergonate|Pergonic acid|UNII-97SEH7577T https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021641 https://doi.org/10.22427/NTP-DATA-DTXSID3021641
ARPathway2016 ARPathway2016_593 Nonanoic acid 112-05-0 DTXSID3021641 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC(O)=O Nonanoic acid 112-05-0|Nonanoic acid|1-Nonanoate|1-nonanoic acid|1-Octanecarboxyic acid|1-Octanecarboxylate|1-Octanecarboxylic acid|4-02-00-01018|Acide nonanoique|acido nonanoico|BRN 1752351|CH3-[CH2]7-COOH|Cirrasol 185a|EINECS 203-931-2|Emery 1202|Emery'S L-114|Emfac 1202|EPA Pesticide Chemical Code 217500|FEMA No. 2784|Grantrico|Hexacid C-9|N-Nonanoate|N-NONANOIC ACID|N-Nonoate|n-Nonoic acid|N-Nonylate|n-Nonylic acid|N-Pelargonate|n-Pelargonic acid|Nonanoate|Nonansaeure|Nonansaure|Nonoate|Nonoic acid|Nonylate|Nonylic acid|NSC 62787|NSC 65450|NSC 65455|Pelargate|Pelargic acid|pelargon|Pelargonate|Pelargonic acid|PELARGONIC-ACID, C9|PELARGONSAEURE|Pergonate|Pergonic acid|UNII-97SEH7577T https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021641 https://doi.org/10.22427/NTP-DATA-DTXSID3021641
ERPathway2016 ERPathway2016_1015 Nonanoic acid 112-05-0 DTXSID3021641 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCC(O)=O Nonanoic acid 112-05-0|Nonanoic acid|1-Nonanoate|1-nonanoic acid|1-Octanecarboxyic acid|1-Octanecarboxylate|1-Octanecarboxylic acid|4-02-00-01018|Acide nonanoique|acido nonanoico|BRN 1752351|CH3-[CH2]7-COOH|Cirrasol 185a|EINECS 203-931-2|Emery 1202|Emery'S L-114|Emfac 1202|EPA Pesticide Chemical Code 217500|FEMA No. 2784|Grantrico|Hexacid C-9|N-Nonanoate|N-NONANOIC ACID|N-Nonoate|n-Nonoic acid|N-Nonylate|n-Nonylic acid|N-Pelargonate|n-Pelargonic acid|Nonanoate|Nonansaeure|Nonansaure|Nonoate|Nonoic acid|Nonylate|Nonylic acid|NSC 62787|NSC 65450|NSC 65455|Pelargate|Pelargic acid|pelargon|Pelargonate|Pelargonic acid|PELARGONIC-ACID, C9|PELARGONSAEURE|Pergonate|Pergonic acid|UNII-97SEH7577T https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021641 https://doi.org/10.22427/NTP-DATA-DTXSID3021641
ERPathway2016 ERPathway2016_1015 Nonanoic acid 112-05-0 DTXSID3021641 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCC(O)=O Nonanoic acid 112-05-0|Nonanoic acid|1-Nonanoate|1-nonanoic acid|1-Octanecarboxyic acid|1-Octanecarboxylate|1-Octanecarboxylic acid|4-02-00-01018|Acide nonanoique|acido nonanoico|BRN 1752351|CH3-[CH2]7-COOH|Cirrasol 185a|EINECS 203-931-2|Emery 1202|Emery'S L-114|Emfac 1202|EPA Pesticide Chemical Code 217500|FEMA No. 2784|Grantrico|Hexacid C-9|N-Nonanoate|N-NONANOIC ACID|N-Nonoate|n-Nonoic acid|N-Nonylate|n-Nonylic acid|N-Pelargonate|n-Pelargonic acid|Nonanoate|Nonansaeure|Nonansaure|Nonoate|Nonoic acid|Nonylate|Nonylic acid|NSC 62787|NSC 65450|NSC 65455|Pelargate|Pelargic acid|pelargon|Pelargonate|Pelargonic acid|PELARGONIC-ACID, C9|PELARGONSAEURE|Pergonate|Pergonic acid|UNII-97SEH7577T https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021641 https://doi.org/10.22427/NTP-DATA-DTXSID3021641
ERPathway2016 ERPathway2016_1015 Nonanoic acid 112-05-0 DTXSID3021641 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCC(O)=O Nonanoic acid 112-05-0|Nonanoic acid|1-Nonanoate|1-nonanoic acid|1-Octanecarboxyic acid|1-Octanecarboxylate|1-Octanecarboxylic acid|4-02-00-01018|Acide nonanoique|acido nonanoico|BRN 1752351|CH3-[CH2]7-COOH|Cirrasol 185a|EINECS 203-931-2|Emery 1202|Emery'S L-114|Emfac 1202|EPA Pesticide Chemical Code 217500|FEMA No. 2784|Grantrico|Hexacid C-9|N-Nonanoate|N-NONANOIC ACID|N-Nonoate|n-Nonoic acid|N-Nonylate|n-Nonylic acid|N-Pelargonate|n-Pelargonic acid|Nonanoate|Nonansaeure|Nonansaure|Nonoate|Nonoic acid|Nonylate|Nonylic acid|NSC 62787|NSC 65450|NSC 65455|Pelargate|Pelargic acid|pelargon|Pelargonate|Pelargonic acid|PELARGONIC-ACID, C9|PELARGONSAEURE|Pergonate|Pergonic acid|UNII-97SEH7577T https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021641 https://doi.org/10.22427/NTP-DATA-DTXSID3021641
ERPathway2016 ERPathway2016_1015 Nonanoic acid 112-05-0 DTXSID3021641 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC(O)=O Nonanoic acid 112-05-0|Nonanoic acid|1-Nonanoate|1-nonanoic acid|1-Octanecarboxyic acid|1-Octanecarboxylate|1-Octanecarboxylic acid|4-02-00-01018|Acide nonanoique|acido nonanoico|BRN 1752351|CH3-[CH2]7-COOH|Cirrasol 185a|EINECS 203-931-2|Emery 1202|Emery'S L-114|Emfac 1202|EPA Pesticide Chemical Code 217500|FEMA No. 2784|Grantrico|Hexacid C-9|N-Nonanoate|N-NONANOIC ACID|N-Nonoate|n-Nonoic acid|N-Nonylate|n-Nonylic acid|N-Pelargonate|n-Pelargonic acid|Nonanoate|Nonansaeure|Nonansaure|Nonoate|Nonoic acid|Nonylate|Nonylic acid|NSC 62787|NSC 65450|NSC 65455|Pelargate|Pelargic acid|pelargon|Pelargonate|Pelargonic acid|PELARGONIC-ACID, C9|PELARGONSAEURE|Pergonate|Pergonic acid|UNII-97SEH7577T https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021641 https://doi.org/10.22427/NTP-DATA-DTXSID3021641
ARPathway2016 ARPathway2016_186 Nordihydroguaiaretic acid 500-38-9 DTXSID5022437 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 34.02950699 uM CC(CC1=CC(O)=C(O)C=C1)C(C)CC1=CC=C(O)C(O)=C1 Nordihydroguaiaretic acid 500-38-9|Nordihydroguaiaretic acid|1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-|1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane|2,3-bis(3,4-dihydroxyphenylmethyl)butane|2,3-Dimethyl-1,4-bis(3,4-dihydroxyphenyl)butane|4-[4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol|4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(1,2-benzenediol)|4,4'-(2,3-Dimethyltetramethylen)dibrenzcatechin|4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol|4,4'-(2,3-dimetiltetrametilen)dipirocatecol|beta,gamma-dimethyl-alpha,delta-bis(3,4-dihydroxyphenyl)butane|Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-|Dihydronorguaiaretic acid|Dinorguaiaretic acid, dihydro-|EINECS 207-903-0|NDGA|nordihydroguaiaretic acid (unspecified)|NORDIHYDROGUAIARETINSAEURE|Nordihydroguairaretic acid|Norguaiaretic acid, dihydro|Norguaiaretic acid, dihydro-|norhydroguaiaretic acid|NSC 4291|NSC 682984|Pyrocatechol, 4,4'-(2,3-dimethyltetramethylene)di-|b,g-Dimethyl-a,d-bis(3,4-dihydroxyphenyl)butane|1413-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022437
ARPathway2016 ARPathway2016_186 Nordihydroguaiaretic acid 500-38-9 DTXSID5022437 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 33.32580045 uM CC(CC1=CC(O)=C(O)C=C1)C(C)CC1=CC=C(O)C(O)=C1 Nordihydroguaiaretic acid 500-38-9|Nordihydroguaiaretic acid|1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-|1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane|2,3-bis(3,4-dihydroxyphenylmethyl)butane|2,3-Dimethyl-1,4-bis(3,4-dihydroxyphenyl)butane|4-[4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol|4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(1,2-benzenediol)|4,4'-(2,3-Dimethyltetramethylen)dibrenzcatechin|4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol|4,4'-(2,3-dimetiltetrametilen)dipirocatecol|beta,gamma-dimethyl-alpha,delta-bis(3,4-dihydroxyphenyl)butane|Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-|Dihydronorguaiaretic acid|Dinorguaiaretic acid, dihydro-|EINECS 207-903-0|NDGA|nordihydroguaiaretic acid (unspecified)|NORDIHYDROGUAIARETINSAEURE|Nordihydroguairaretic acid|Norguaiaretic acid, dihydro|Norguaiaretic acid, dihydro-|norhydroguaiaretic acid|NSC 4291|NSC 682984|Pyrocatechol, 4,4'-(2,3-dimethyltetramethylene)di-|b,g-Dimethyl-a,d-bis(3,4-dihydroxyphenyl)butane|1413-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022437
ARPathway2016 ARPathway2016_186 Nordihydroguaiaretic acid 500-38-9 DTXSID5022437 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.218 Unitless CC(CC1=CC(O)=C(O)C=C1)C(C)CC1=CC=C(O)C(O)=C1 Nordihydroguaiaretic acid 500-38-9|Nordihydroguaiaretic acid|1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-|1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane|2,3-bis(3,4-dihydroxyphenylmethyl)butane|2,3-Dimethyl-1,4-bis(3,4-dihydroxyphenyl)butane|4-[4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol|4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(1,2-benzenediol)|4,4'-(2,3-Dimethyltetramethylen)dibrenzcatechin|4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol|4,4'-(2,3-dimetiltetrametilen)dipirocatecol|beta,gamma-dimethyl-alpha,delta-bis(3,4-dihydroxyphenyl)butane|Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-|Dihydronorguaiaretic acid|Dinorguaiaretic acid, dihydro-|EINECS 207-903-0|NDGA|nordihydroguaiaretic acid (unspecified)|NORDIHYDROGUAIARETINSAEURE|Nordihydroguairaretic acid|Norguaiaretic acid, dihydro|Norguaiaretic acid, dihydro-|norhydroguaiaretic acid|NSC 4291|NSC 682984|Pyrocatechol, 4,4'-(2,3-dimethyltetramethylene)di-|b,g-Dimethyl-a,d-bis(3,4-dihydroxyphenyl)butane|1413-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022437
ARPathway2016 ARPathway2016_186 Nordihydroguaiaretic acid 500-38-9 DTXSID5022437 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(CC1=CC(O)=C(O)C=C1)C(C)CC1=CC=C(O)C(O)=C1 Nordihydroguaiaretic acid 500-38-9|Nordihydroguaiaretic acid|1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-|1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane|2,3-bis(3,4-dihydroxyphenylmethyl)butane|2,3-Dimethyl-1,4-bis(3,4-dihydroxyphenyl)butane|4-[4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol|4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(1,2-benzenediol)|4,4'-(2,3-Dimethyltetramethylen)dibrenzcatechin|4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol|4,4'-(2,3-dimetiltetrametilen)dipirocatecol|beta,gamma-dimethyl-alpha,delta-bis(3,4-dihydroxyphenyl)butane|Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-|Dihydronorguaiaretic acid|Dinorguaiaretic acid, dihydro-|EINECS 207-903-0|NDGA|nordihydroguaiaretic acid (unspecified)|NORDIHYDROGUAIARETINSAEURE|Nordihydroguairaretic acid|Norguaiaretic acid, dihydro|Norguaiaretic acid, dihydro-|norhydroguaiaretic acid|NSC 4291|NSC 682984|Pyrocatechol, 4,4'-(2,3-dimethyltetramethylene)di-|b,g-Dimethyl-a,d-bis(3,4-dihydroxyphenyl)butane|1413-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022437
ARPathway2016 ARPathway2016_186 Nordihydroguaiaretic acid 500-38-9 DTXSID5022437 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(CC1=CC(O)=C(O)C=C1)C(C)CC1=CC=C(O)C(O)=C1 Nordihydroguaiaretic acid 500-38-9|Nordihydroguaiaretic acid|1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-|1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane|2,3-bis(3,4-dihydroxyphenylmethyl)butane|2,3-Dimethyl-1,4-bis(3,4-dihydroxyphenyl)butane|4-[4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol|4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(1,2-benzenediol)|4,4'-(2,3-Dimethyltetramethylen)dibrenzcatechin|4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol|4,4'-(2,3-dimetiltetrametilen)dipirocatecol|beta,gamma-dimethyl-alpha,delta-bis(3,4-dihydroxyphenyl)butane|Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-|Dihydronorguaiaretic acid|Dinorguaiaretic acid, dihydro-|EINECS 207-903-0|NDGA|nordihydroguaiaretic acid (unspecified)|NORDIHYDROGUAIARETINSAEURE|Nordihydroguairaretic acid|Norguaiaretic acid, dihydro|Norguaiaretic acid, dihydro-|norhydroguaiaretic acid|NSC 4291|NSC 682984|Pyrocatechol, 4,4'-(2,3-dimethyltetramethylene)di-|b,g-Dimethyl-a,d-bis(3,4-dihydroxyphenyl)butane|1413-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022437
ARPathway2016 ARPathway2016_186 Nordihydroguaiaretic acid 500-38-9 DTXSID5022437 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(CC1=CC(O)=C(O)C=C1)C(C)CC1=CC=C(O)C(O)=C1 Nordihydroguaiaretic acid 500-38-9|Nordihydroguaiaretic acid|1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-|1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane|2,3-bis(3,4-dihydroxyphenylmethyl)butane|2,3-Dimethyl-1,4-bis(3,4-dihydroxyphenyl)butane|4-[4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol|4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(1,2-benzenediol)|4,4'-(2,3-Dimethyltetramethylen)dibrenzcatechin|4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol|4,4'-(2,3-dimetiltetrametilen)dipirocatecol|beta,gamma-dimethyl-alpha,delta-bis(3,4-dihydroxyphenyl)butane|Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-|Dihydronorguaiaretic acid|Dinorguaiaretic acid, dihydro-|EINECS 207-903-0|NDGA|nordihydroguaiaretic acid (unspecified)|NORDIHYDROGUAIARETINSAEURE|Nordihydroguairaretic acid|Norguaiaretic acid, dihydro|Norguaiaretic acid, dihydro-|norhydroguaiaretic acid|NSC 4291|NSC 682984|Pyrocatechol, 4,4'-(2,3-dimethyltetramethylene)di-|b,g-Dimethyl-a,d-bis(3,4-dihydroxyphenyl)butane|1413-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022437
ERPathway2016 ERPathway2016_236 Nordihydroguaiaretic acid 500-38-9 DTXSID5022437 ER Pathway Model, Antagonist AC50 5.90481698643894 uM CC(CC1=CC(O)=C(O)C=C1)C(C)CC1=CC=C(O)C(O)=C1 Nordihydroguaiaretic acid 500-38-9|Nordihydroguaiaretic acid|1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-|1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane|2,3-bis(3,4-dihydroxyphenylmethyl)butane|2,3-Dimethyl-1,4-bis(3,4-dihydroxyphenyl)butane|4-[4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol|4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(1,2-benzenediol)|4,4'-(2,3-Dimethyltetramethylen)dibrenzcatechin|4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol|4,4'-(2,3-dimetiltetrametilen)dipirocatecol|beta,gamma-dimethyl-alpha,delta-bis(3,4-dihydroxyphenyl)butane|Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-|Dihydronorguaiaretic acid|Dinorguaiaretic acid, dihydro-|EINECS 207-903-0|NDGA|nordihydroguaiaretic acid (unspecified)|NORDIHYDROGUAIARETINSAEURE|Nordihydroguairaretic acid|Norguaiaretic acid, dihydro|Norguaiaretic acid, dihydro-|norhydroguaiaretic acid|NSC 4291|NSC 682984|Pyrocatechol, 4,4'-(2,3-dimethyltetramethylene)di-|b,g-Dimethyl-a,d-bis(3,4-dihydroxyphenyl)butane|1413-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022437
ERPathway2016 ERPathway2016_236 Nordihydroguaiaretic acid 500-38-9 DTXSID5022437 ER Pathway Model, Antagonist ACC 2.999890754764 uM CC(CC1=CC(O)=C(O)C=C1)C(C)CC1=CC=C(O)C(O)=C1 Nordihydroguaiaretic acid 500-38-9|Nordihydroguaiaretic acid|1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-|1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane|2,3-bis(3,4-dihydroxyphenylmethyl)butane|2,3-Dimethyl-1,4-bis(3,4-dihydroxyphenyl)butane|4-[4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol|4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(1,2-benzenediol)|4,4'-(2,3-Dimethyltetramethylen)dibrenzcatechin|4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol|4,4'-(2,3-dimetiltetrametilen)dipirocatecol|beta,gamma-dimethyl-alpha,delta-bis(3,4-dihydroxyphenyl)butane|Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-|Dihydronorguaiaretic acid|Dinorguaiaretic acid, dihydro-|EINECS 207-903-0|NDGA|nordihydroguaiaretic acid (unspecified)|NORDIHYDROGUAIARETINSAEURE|Nordihydroguairaretic acid|Norguaiaretic acid, dihydro|Norguaiaretic acid, dihydro-|norhydroguaiaretic acid|NSC 4291|NSC 682984|Pyrocatechol, 4,4'-(2,3-dimethyltetramethylene)di-|b,g-Dimethyl-a,d-bis(3,4-dihydroxyphenyl)butane|1413-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022437
ERPathway2016 ERPathway2016_236 Nordihydroguaiaretic acid 500-38-9 DTXSID5022437 ER Pathway Model, Agonist Model Score 0.0998 Unitless CC(CC1=CC(O)=C(O)C=C1)C(C)CC1=CC=C(O)C(O)=C1 Nordihydroguaiaretic acid 500-38-9|Nordihydroguaiaretic acid|1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-|1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane|2,3-bis(3,4-dihydroxyphenylmethyl)butane|2,3-Dimethyl-1,4-bis(3,4-dihydroxyphenyl)butane|4-[4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol|4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(1,2-benzenediol)|4,4'-(2,3-Dimethyltetramethylen)dibrenzcatechin|4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol|4,4'-(2,3-dimetiltetrametilen)dipirocatecol|beta,gamma-dimethyl-alpha,delta-bis(3,4-dihydroxyphenyl)butane|Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-|Dihydronorguaiaretic acid|Dinorguaiaretic acid, dihydro-|EINECS 207-903-0|NDGA|nordihydroguaiaretic acid (unspecified)|NORDIHYDROGUAIARETINSAEURE|Nordihydroguairaretic acid|Norguaiaretic acid, dihydro|Norguaiaretic acid, dihydro-|norhydroguaiaretic acid|NSC 4291|NSC 682984|Pyrocatechol, 4,4'-(2,3-dimethyltetramethylene)di-|b,g-Dimethyl-a,d-bis(3,4-dihydroxyphenyl)butane|1413-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022437
ERPathway2016 ERPathway2016_236 Nordihydroguaiaretic acid 500-38-9 DTXSID5022437 ER Pathway Model, Antagonist Model Score 0.0158 Unitless CC(CC1=CC(O)=C(O)C=C1)C(C)CC1=CC=C(O)C(O)=C1 Nordihydroguaiaretic acid 500-38-9|Nordihydroguaiaretic acid|1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-|1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane|2,3-bis(3,4-dihydroxyphenylmethyl)butane|2,3-Dimethyl-1,4-bis(3,4-dihydroxyphenyl)butane|4-[4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol|4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(1,2-benzenediol)|4,4'-(2,3-Dimethyltetramethylen)dibrenzcatechin|4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol|4,4'-(2,3-dimetiltetrametilen)dipirocatecol|beta,gamma-dimethyl-alpha,delta-bis(3,4-dihydroxyphenyl)butane|Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-|Dihydronorguaiaretic acid|Dinorguaiaretic acid, dihydro-|EINECS 207-903-0|NDGA|nordihydroguaiaretic acid (unspecified)|NORDIHYDROGUAIARETINSAEURE|Nordihydroguairaretic acid|Norguaiaretic acid, dihydro|Norguaiaretic acid, dihydro-|norhydroguaiaretic acid|NSC 4291|NSC 682984|Pyrocatechol, 4,4'-(2,3-dimethyltetramethylene)di-|b,g-Dimethyl-a,d-bis(3,4-dihydroxyphenyl)butane|1413-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022437
ERPathway2016 ERPathway2016_236 Nordihydroguaiaretic acid 500-38-9 DTXSID5022437 ER Pathway Model, Agonist Call Inactive Unitless CC(CC1=CC(O)=C(O)C=C1)C(C)CC1=CC=C(O)C(O)=C1 Nordihydroguaiaretic acid 500-38-9|Nordihydroguaiaretic acid|1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-|1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane|2,3-bis(3,4-dihydroxyphenylmethyl)butane|2,3-Dimethyl-1,4-bis(3,4-dihydroxyphenyl)butane|4-[4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol|4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(1,2-benzenediol)|4,4'-(2,3-Dimethyltetramethylen)dibrenzcatechin|4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol|4,4'-(2,3-dimetiltetrametilen)dipirocatecol|beta,gamma-dimethyl-alpha,delta-bis(3,4-dihydroxyphenyl)butane|Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-|Dihydronorguaiaretic acid|Dinorguaiaretic acid, dihydro-|EINECS 207-903-0|NDGA|nordihydroguaiaretic acid (unspecified)|NORDIHYDROGUAIARETINSAEURE|Nordihydroguairaretic acid|Norguaiaretic acid, dihydro|Norguaiaretic acid, dihydro-|norhydroguaiaretic acid|NSC 4291|NSC 682984|Pyrocatechol, 4,4'-(2,3-dimethyltetramethylene)di-|b,g-Dimethyl-a,d-bis(3,4-dihydroxyphenyl)butane|1413-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022437
ERPathway2016 ERPathway2016_236 Nordihydroguaiaretic acid 500-38-9 DTXSID5022437 ER Pathway Model, Antagonist Call Active Unitless CC(CC1=CC(O)=C(O)C=C1)C(C)CC1=CC=C(O)C(O)=C1 Nordihydroguaiaretic acid 500-38-9|Nordihydroguaiaretic acid|1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-|1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane|2,3-bis(3,4-dihydroxyphenylmethyl)butane|2,3-Dimethyl-1,4-bis(3,4-dihydroxyphenyl)butane|4-[4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol|4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(1,2-benzenediol)|4,4'-(2,3-Dimethyltetramethylen)dibrenzcatechin|4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol|4,4'-(2,3-dimetiltetrametilen)dipirocatecol|beta,gamma-dimethyl-alpha,delta-bis(3,4-dihydroxyphenyl)butane|Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-|Dihydronorguaiaretic acid|Dinorguaiaretic acid, dihydro-|EINECS 207-903-0|NDGA|nordihydroguaiaretic acid (unspecified)|NORDIHYDROGUAIARETINSAEURE|Nordihydroguairaretic acid|Norguaiaretic acid, dihydro|Norguaiaretic acid, dihydro-|norhydroguaiaretic acid|NSC 4291|NSC 682984|Pyrocatechol, 4,4'-(2,3-dimethyltetramethylene)di-|b,g-Dimethyl-a,d-bis(3,4-dihydroxyphenyl)butane|1413-68-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022437
ARPathway2016 ARPathway2016_380 Norethindrone 68-22-4 DTXSID9023380 1.0 Agonist AR Pathway Model, Antagonist AC50 0.00497692000000001 uM [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Norethindrone 68-22-4|Norethindrone|(17-alpha)-17-Hydroxy-19-norpregn-4-en-20-yn-3-one|(17a)-17-Hydroxy-19-Norpregn-4-en-20-yn-3-one|17-alpha-19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-|17-alpha-Ethinyl-17-beta-hydroxy-delta(sup:4)-estren-3-one|17-alpha-Ethinylestra-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-17-beta-hydroxy-19-norandrost-4-en-3-one|17-alpha-Ethynyl-17-hydroxy-4-estren-3-one|17-alpha-Ethynyl-19-norandrost-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-19-nortestosterone|17-alpha-Ethynyl-4-estren-17-ol-3-one|17-beta-Hydroxy-19-norpregn-4-en-20-yn-3-one|17-Ethinyl-19-nortestosterone|17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20 yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20-yn-3-one|17alpha-Ethinyl-17beta-hydroxy-delta(sup:4)-estren-3-one|17alpha-Ethinyl-19-nortestosterone|17alpha-ethinylestra-4-en-17beta-ol-3-one|17alpha-Ethynyl-17-hydroxy-4-estren-3-one|17alpha-Ethynyl-17beta-hydroxy-19-norandrost-4-en-3-one|17alpha-ethynyl-19-nor-4-androsten-17beta-ol-3-one|17alpha-Ethynyl-19-norandrost-4-en-17beta-ol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023380
ARPathway2016 ARPathway2016_380 Norethindrone 68-22-4 DTXSID9023380 1.0 Agonist AR Pathway Model, Antagonist ACC 0.001545861 uM [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Norethindrone 68-22-4|Norethindrone|(17-alpha)-17-Hydroxy-19-norpregn-4-en-20-yn-3-one|(17a)-17-Hydroxy-19-Norpregn-4-en-20-yn-3-one|17-alpha-19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-|17-alpha-Ethinyl-17-beta-hydroxy-delta(sup:4)-estren-3-one|17-alpha-Ethinylestra-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-17-beta-hydroxy-19-norandrost-4-en-3-one|17-alpha-Ethynyl-17-hydroxy-4-estren-3-one|17-alpha-Ethynyl-19-norandrost-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-19-nortestosterone|17-alpha-Ethynyl-4-estren-17-ol-3-one|17-beta-Hydroxy-19-norpregn-4-en-20-yn-3-one|17-Ethinyl-19-nortestosterone|17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20 yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20-yn-3-one|17alpha-Ethinyl-17beta-hydroxy-delta(sup:4)-estren-3-one|17alpha-Ethinyl-19-nortestosterone|17alpha-ethinylestra-4-en-17beta-ol-3-one|17alpha-Ethynyl-17-hydroxy-4-estren-3-one|17alpha-Ethynyl-17beta-hydroxy-19-norandrost-4-en-3-one|17alpha-ethynyl-19-nor-4-androsten-17beta-ol-3-one|17alpha-Ethynyl-19-norandrost-4-en-17beta-ol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023380
ARPathway2016 ARPathway2016_380 Norethindrone 68-22-4 DTXSID9023380 1.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Norethindrone 68-22-4|Norethindrone|(17-alpha)-17-Hydroxy-19-norpregn-4-en-20-yn-3-one|(17a)-17-Hydroxy-19-Norpregn-4-en-20-yn-3-one|17-alpha-19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-|17-alpha-Ethinyl-17-beta-hydroxy-delta(sup:4)-estren-3-one|17-alpha-Ethinylestra-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-17-beta-hydroxy-19-norandrost-4-en-3-one|17-alpha-Ethynyl-17-hydroxy-4-estren-3-one|17-alpha-Ethynyl-19-norandrost-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-19-nortestosterone|17-alpha-Ethynyl-4-estren-17-ol-3-one|17-beta-Hydroxy-19-norpregn-4-en-20-yn-3-one|17-Ethinyl-19-nortestosterone|17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20 yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20-yn-3-one|17alpha-Ethinyl-17beta-hydroxy-delta(sup:4)-estren-3-one|17alpha-Ethinyl-19-nortestosterone|17alpha-ethinylestra-4-en-17beta-ol-3-one|17alpha-Ethynyl-17-hydroxy-4-estren-3-one|17alpha-Ethynyl-17beta-hydroxy-19-norandrost-4-en-3-one|17alpha-ethynyl-19-nor-4-androsten-17beta-ol-3-one|17alpha-Ethynyl-19-norandrost-4-en-17beta-ol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023380
ARPathway2016 ARPathway2016_380 Norethindrone 68-22-4 DTXSID9023380 1.0 Agonist AR Pathway Model, Agonist Model Score 1.52 Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Norethindrone 68-22-4|Norethindrone|(17-alpha)-17-Hydroxy-19-norpregn-4-en-20-yn-3-one|(17a)-17-Hydroxy-19-Norpregn-4-en-20-yn-3-one|17-alpha-19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-|17-alpha-Ethinyl-17-beta-hydroxy-delta(sup:4)-estren-3-one|17-alpha-Ethinylestra-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-17-beta-hydroxy-19-norandrost-4-en-3-one|17-alpha-Ethynyl-17-hydroxy-4-estren-3-one|17-alpha-Ethynyl-19-norandrost-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-19-nortestosterone|17-alpha-Ethynyl-4-estren-17-ol-3-one|17-beta-Hydroxy-19-norpregn-4-en-20-yn-3-one|17-Ethinyl-19-nortestosterone|17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20 yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20-yn-3-one|17alpha-Ethinyl-17beta-hydroxy-delta(sup:4)-estren-3-one|17alpha-Ethinyl-19-nortestosterone|17alpha-ethinylestra-4-en-17beta-ol-3-one|17alpha-Ethynyl-17-hydroxy-4-estren-3-one|17alpha-Ethynyl-17beta-hydroxy-19-norandrost-4-en-3-one|17alpha-ethynyl-19-nor-4-androsten-17beta-ol-3-one|17alpha-Ethynyl-19-norandrost-4-en-17beta-ol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023380
ARPathway2016 ARPathway2016_380 Norethindrone 68-22-4 DTXSID9023380 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Norethindrone 68-22-4|Norethindrone|(17-alpha)-17-Hydroxy-19-norpregn-4-en-20-yn-3-one|(17a)-17-Hydroxy-19-Norpregn-4-en-20-yn-3-one|17-alpha-19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-|17-alpha-Ethinyl-17-beta-hydroxy-delta(sup:4)-estren-3-one|17-alpha-Ethinylestra-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-17-beta-hydroxy-19-norandrost-4-en-3-one|17-alpha-Ethynyl-17-hydroxy-4-estren-3-one|17-alpha-Ethynyl-19-norandrost-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-19-nortestosterone|17-alpha-Ethynyl-4-estren-17-ol-3-one|17-beta-Hydroxy-19-norpregn-4-en-20-yn-3-one|17-Ethinyl-19-nortestosterone|17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20 yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20-yn-3-one|17alpha-Ethinyl-17beta-hydroxy-delta(sup:4)-estren-3-one|17alpha-Ethinyl-19-nortestosterone|17alpha-ethinylestra-4-en-17beta-ol-3-one|17alpha-Ethynyl-17-hydroxy-4-estren-3-one|17alpha-Ethynyl-17beta-hydroxy-19-norandrost-4-en-3-one|17alpha-ethynyl-19-nor-4-androsten-17beta-ol-3-one|17alpha-Ethynyl-19-norandrost-4-en-17beta-ol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023380
ARPathway2016 ARPathway2016_380 Norethindrone 68-22-4 DTXSID9023380 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Norethindrone 68-22-4|Norethindrone|(17-alpha)-17-Hydroxy-19-norpregn-4-en-20-yn-3-one|(17a)-17-Hydroxy-19-Norpregn-4-en-20-yn-3-one|17-alpha-19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-|17-alpha-Ethinyl-17-beta-hydroxy-delta(sup:4)-estren-3-one|17-alpha-Ethinylestra-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-17-beta-hydroxy-19-norandrost-4-en-3-one|17-alpha-Ethynyl-17-hydroxy-4-estren-3-one|17-alpha-Ethynyl-19-norandrost-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-19-nortestosterone|17-alpha-Ethynyl-4-estren-17-ol-3-one|17-beta-Hydroxy-19-norpregn-4-en-20-yn-3-one|17-Ethinyl-19-nortestosterone|17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20 yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20-yn-3-one|17alpha-Ethinyl-17beta-hydroxy-delta(sup:4)-estren-3-one|17alpha-Ethinyl-19-nortestosterone|17alpha-ethinylestra-4-en-17beta-ol-3-one|17alpha-Ethynyl-17-hydroxy-4-estren-3-one|17alpha-Ethynyl-17beta-hydroxy-19-norandrost-4-en-3-one|17alpha-ethynyl-19-nor-4-androsten-17beta-ol-3-one|17alpha-Ethynyl-19-norandrost-4-en-17beta-ol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023380
ERPathway2016 ERPathway2016_157 Norethindrone 68-22-4 DTXSID9023380 Agonist ER Pathway Model, Antagonist AC50 1.28314061122252 uM [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Norethindrone 68-22-4|Norethindrone|(17-alpha)-17-Hydroxy-19-norpregn-4-en-20-yn-3-one|(17a)-17-Hydroxy-19-Norpregn-4-en-20-yn-3-one|17-alpha-19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-|17-alpha-Ethinyl-17-beta-hydroxy-delta(sup:4)-estren-3-one|17-alpha-Ethinylestra-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-17-beta-hydroxy-19-norandrost-4-en-3-one|17-alpha-Ethynyl-17-hydroxy-4-estren-3-one|17-alpha-Ethynyl-19-norandrost-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-19-nortestosterone|17-alpha-Ethynyl-4-estren-17-ol-3-one|17-beta-Hydroxy-19-norpregn-4-en-20-yn-3-one|17-Ethinyl-19-nortestosterone|17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20 yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20-yn-3-one|17alpha-Ethinyl-17beta-hydroxy-delta(sup:4)-estren-3-one|17alpha-Ethinyl-19-nortestosterone|17alpha-ethinylestra-4-en-17beta-ol-3-one|17alpha-Ethynyl-17-hydroxy-4-estren-3-one|17alpha-Ethynyl-17beta-hydroxy-19-norandrost-4-en-3-one|17alpha-ethynyl-19-nor-4-androsten-17beta-ol-3-one|17alpha-Ethynyl-19-norandrost-4-en-17beta-ol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023380
ERPathway2016 ERPathway2016_157 Norethindrone 68-22-4 DTXSID9023380 Agonist ER Pathway Model, Antagonist ACC 0.745756639051791 uM [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Norethindrone 68-22-4|Norethindrone|(17-alpha)-17-Hydroxy-19-norpregn-4-en-20-yn-3-one|(17a)-17-Hydroxy-19-Norpregn-4-en-20-yn-3-one|17-alpha-19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-|17-alpha-Ethinyl-17-beta-hydroxy-delta(sup:4)-estren-3-one|17-alpha-Ethinylestra-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-17-beta-hydroxy-19-norandrost-4-en-3-one|17-alpha-Ethynyl-17-hydroxy-4-estren-3-one|17-alpha-Ethynyl-19-norandrost-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-19-nortestosterone|17-alpha-Ethynyl-4-estren-17-ol-3-one|17-beta-Hydroxy-19-norpregn-4-en-20-yn-3-one|17-Ethinyl-19-nortestosterone|17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20 yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20-yn-3-one|17alpha-Ethinyl-17beta-hydroxy-delta(sup:4)-estren-3-one|17alpha-Ethinyl-19-nortestosterone|17alpha-ethinylestra-4-en-17beta-ol-3-one|17alpha-Ethynyl-17-hydroxy-4-estren-3-one|17alpha-Ethynyl-17beta-hydroxy-19-norandrost-4-en-3-one|17alpha-ethynyl-19-nor-4-androsten-17beta-ol-3-one|17alpha-Ethynyl-19-norandrost-4-en-17beta-ol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023380
ERPathway2016 ERPathway2016_157 Norethindrone 68-22-4 DTXSID9023380 Agonist ER Pathway Model, Agonist Model Score 0.524 Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Norethindrone 68-22-4|Norethindrone|(17-alpha)-17-Hydroxy-19-norpregn-4-en-20-yn-3-one|(17a)-17-Hydroxy-19-Norpregn-4-en-20-yn-3-one|17-alpha-19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-|17-alpha-Ethinyl-17-beta-hydroxy-delta(sup:4)-estren-3-one|17-alpha-Ethinylestra-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-17-beta-hydroxy-19-norandrost-4-en-3-one|17-alpha-Ethynyl-17-hydroxy-4-estren-3-one|17-alpha-Ethynyl-19-norandrost-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-19-nortestosterone|17-alpha-Ethynyl-4-estren-17-ol-3-one|17-beta-Hydroxy-19-norpregn-4-en-20-yn-3-one|17-Ethinyl-19-nortestosterone|17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20 yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20-yn-3-one|17alpha-Ethinyl-17beta-hydroxy-delta(sup:4)-estren-3-one|17alpha-Ethinyl-19-nortestosterone|17alpha-ethinylestra-4-en-17beta-ol-3-one|17alpha-Ethynyl-17-hydroxy-4-estren-3-one|17alpha-Ethynyl-17beta-hydroxy-19-norandrost-4-en-3-one|17alpha-ethynyl-19-nor-4-androsten-17beta-ol-3-one|17alpha-Ethynyl-19-norandrost-4-en-17beta-ol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023380
ERPathway2016 ERPathway2016_157 Norethindrone 68-22-4 DTXSID9023380 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Norethindrone 68-22-4|Norethindrone|(17-alpha)-17-Hydroxy-19-norpregn-4-en-20-yn-3-one|(17a)-17-Hydroxy-19-Norpregn-4-en-20-yn-3-one|17-alpha-19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-|17-alpha-Ethinyl-17-beta-hydroxy-delta(sup:4)-estren-3-one|17-alpha-Ethinylestra-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-17-beta-hydroxy-19-norandrost-4-en-3-one|17-alpha-Ethynyl-17-hydroxy-4-estren-3-one|17-alpha-Ethynyl-19-norandrost-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-19-nortestosterone|17-alpha-Ethynyl-4-estren-17-ol-3-one|17-beta-Hydroxy-19-norpregn-4-en-20-yn-3-one|17-Ethinyl-19-nortestosterone|17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20 yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20-yn-3-one|17alpha-Ethinyl-17beta-hydroxy-delta(sup:4)-estren-3-one|17alpha-Ethinyl-19-nortestosterone|17alpha-ethinylestra-4-en-17beta-ol-3-one|17alpha-Ethynyl-17-hydroxy-4-estren-3-one|17alpha-Ethynyl-17beta-hydroxy-19-norandrost-4-en-3-one|17alpha-ethynyl-19-nor-4-androsten-17beta-ol-3-one|17alpha-Ethynyl-19-norandrost-4-en-17beta-ol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023380
ERPathway2016 ERPathway2016_157 Norethindrone 68-22-4 DTXSID9023380 Agonist ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Norethindrone 68-22-4|Norethindrone|(17-alpha)-17-Hydroxy-19-norpregn-4-en-20-yn-3-one|(17a)-17-Hydroxy-19-Norpregn-4-en-20-yn-3-one|17-alpha-19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-|17-alpha-Ethinyl-17-beta-hydroxy-delta(sup:4)-estren-3-one|17-alpha-Ethinylestra-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-17-beta-hydroxy-19-norandrost-4-en-3-one|17-alpha-Ethynyl-17-hydroxy-4-estren-3-one|17-alpha-Ethynyl-19-norandrost-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-19-nortestosterone|17-alpha-Ethynyl-4-estren-17-ol-3-one|17-beta-Hydroxy-19-norpregn-4-en-20-yn-3-one|17-Ethinyl-19-nortestosterone|17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20 yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20-yn-3-one|17alpha-Ethinyl-17beta-hydroxy-delta(sup:4)-estren-3-one|17alpha-Ethinyl-19-nortestosterone|17alpha-ethinylestra-4-en-17beta-ol-3-one|17alpha-Ethynyl-17-hydroxy-4-estren-3-one|17alpha-Ethynyl-17beta-hydroxy-19-norandrost-4-en-3-one|17alpha-ethynyl-19-nor-4-androsten-17beta-ol-3-one|17alpha-Ethynyl-19-norandrost-4-en-17beta-ol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023380
ERPathway2016 ERPathway2016_157 Norethindrone 68-22-4 DTXSID9023380 Agonist ER Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] Norethindrone 68-22-4|Norethindrone|(17-alpha)-17-Hydroxy-19-norpregn-4-en-20-yn-3-one|(17a)-17-Hydroxy-19-Norpregn-4-en-20-yn-3-one|17-alpha-19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-|17-alpha-Ethinyl-17-beta-hydroxy-delta(sup:4)-estren-3-one|17-alpha-Ethinylestra-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-17-beta-hydroxy-19-norandrost-4-en-3-one|17-alpha-Ethynyl-17-hydroxy-4-estren-3-one|17-alpha-Ethynyl-19-norandrost-4-en-17-beta-ol-3-one|17-alpha-Ethynyl-19-nortestosterone|17-alpha-Ethynyl-4-estren-17-ol-3-one|17-beta-Hydroxy-19-norpregn-4-en-20-yn-3-one|17-Ethinyl-19-nortestosterone|17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20 yn-3-one|17-Hydroxy-19-nor-17a-pregn-4-en-20-yn-3-one|17alpha-Ethinyl-17beta-hydroxy-delta(sup:4)-estren-3-one|17alpha-Ethinyl-19-nortestosterone|17alpha-ethinylestra-4-en-17beta-ol-3-one|17alpha-Ethynyl-17-hydroxy-4-estren-3-one|17alpha-Ethynyl-17beta-hydroxy-19-norandrost-4-en-3-one|17alpha-ethynyl-19-nor-4-androsten-17beta-ol-3-one|17alpha-Ethynyl-19-norandrost-4-en-17beta-ol https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023380
ARPathway2016 ARPathway2016_1090 Norflurazon 27314-13-2 DTXSID8024234 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CNC1=C(Cl)C(=O)N(N=C1)C1=CC(=CC=C1)C(F)(F)F Norflurazon 27314-13-2|Norflurazon|1-(3-Trifluoromethylphenyl)-4-methylamino-5-chloropyridazone|248-397-1|3(2H)-Pyridazinone, 4-chloro-5-(methylamino)-2-(3-(trifluoromethyl)phenyl)-|4-Chloro-5-(methylamino)-2-(3-(trifluoromethyl)phenyl)-3(2H)-pyridazinone|4-Chloro-5-(methylamino)-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-3(2H)-pyridazinone|4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]-3(2H)-pyridazinone|4-Chloro-5-methylamino-2-(3-trifluoromethylphenyl)pyridazin-3-one|5-25-14-00201|BRN 0757115|Caswell No. 195AA|EC No.: 248-397-1|EINECS 248-397-1|EPA Pesticide Chemical Code 105801|Monometflurazon|Monometflurazone|NF|Norflurazon technical|P.C. Code 105801|PC 105801|SAN 9789|Solicam|Solicam Rapid|UNII-KES1HB07E4|Zorial Rapid 80|12680-38-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024234
ARPathway2016 ARPathway2016_1090 Norflurazon 27314-13-2 DTXSID8024234 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CNC1=C(Cl)C(=O)N(N=C1)C1=CC(=CC=C1)C(F)(F)F Norflurazon 27314-13-2|Norflurazon|1-(3-Trifluoromethylphenyl)-4-methylamino-5-chloropyridazone|248-397-1|3(2H)-Pyridazinone, 4-chloro-5-(methylamino)-2-(3-(trifluoromethyl)phenyl)-|4-Chloro-5-(methylamino)-2-(3-(trifluoromethyl)phenyl)-3(2H)-pyridazinone|4-Chloro-5-(methylamino)-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-3(2H)-pyridazinone|4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]-3(2H)-pyridazinone|4-Chloro-5-methylamino-2-(3-trifluoromethylphenyl)pyridazin-3-one|5-25-14-00201|BRN 0757115|Caswell No. 195AA|EC No.: 248-397-1|EINECS 248-397-1|EPA Pesticide Chemical Code 105801|Monometflurazon|Monometflurazone|NF|Norflurazon technical|P.C. Code 105801|PC 105801|SAN 9789|Solicam|Solicam Rapid|UNII-KES1HB07E4|Zorial Rapid 80|12680-38-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024234
ARPathway2016 ARPathway2016_1090 Norflurazon 27314-13-2 DTXSID8024234 0.0 AR Pathway Model, Agonist Call Inactive Unitless CNC1=C(Cl)C(=O)N(N=C1)C1=CC(=CC=C1)C(F)(F)F Norflurazon 27314-13-2|Norflurazon|1-(3-Trifluoromethylphenyl)-4-methylamino-5-chloropyridazone|248-397-1|3(2H)-Pyridazinone, 4-chloro-5-(methylamino)-2-(3-(trifluoromethyl)phenyl)-|4-Chloro-5-(methylamino)-2-(3-(trifluoromethyl)phenyl)-3(2H)-pyridazinone|4-Chloro-5-(methylamino)-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-3(2H)-pyridazinone|4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]-3(2H)-pyridazinone|4-Chloro-5-methylamino-2-(3-trifluoromethylphenyl)pyridazin-3-one|5-25-14-00201|BRN 0757115|Caswell No. 195AA|EC No.: 248-397-1|EINECS 248-397-1|EPA Pesticide Chemical Code 105801|Monometflurazon|Monometflurazone|NF|Norflurazon technical|P.C. Code 105801|PC 105801|SAN 9789|Solicam|Solicam Rapid|UNII-KES1HB07E4|Zorial Rapid 80|12680-38-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024234
ARPathway2016 ARPathway2016_1090 Norflurazon 27314-13-2 DTXSID8024234 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CNC1=C(Cl)C(=O)N(N=C1)C1=CC(=CC=C1)C(F)(F)F Norflurazon 27314-13-2|Norflurazon|1-(3-Trifluoromethylphenyl)-4-methylamino-5-chloropyridazone|248-397-1|3(2H)-Pyridazinone, 4-chloro-5-(methylamino)-2-(3-(trifluoromethyl)phenyl)-|4-Chloro-5-(methylamino)-2-(3-(trifluoromethyl)phenyl)-3(2H)-pyridazinone|4-Chloro-5-(methylamino)-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-3(2H)-pyridazinone|4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]-3(2H)-pyridazinone|4-Chloro-5-methylamino-2-(3-trifluoromethylphenyl)pyridazin-3-one|5-25-14-00201|BRN 0757115|Caswell No. 195AA|EC No.: 248-397-1|EINECS 248-397-1|EPA Pesticide Chemical Code 105801|Monometflurazon|Monometflurazone|NF|Norflurazon technical|P.C. Code 105801|PC 105801|SAN 9789|Solicam|Solicam Rapid|UNII-KES1HB07E4|Zorial Rapid 80|12680-38-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024234
ERPathway2016 ERPathway2016_1422 Norflurazon 27314-13-2 DTXSID8024234 ER Pathway Model, Agonist Model Score 0 Unitless CNC1=C(Cl)C(=O)N(N=C1)C1=CC(=CC=C1)C(F)(F)F Norflurazon 27314-13-2|Norflurazon|1-(3-Trifluoromethylphenyl)-4-methylamino-5-chloropyridazone|248-397-1|3(2H)-Pyridazinone, 4-chloro-5-(methylamino)-2-(3-(trifluoromethyl)phenyl)-|4-Chloro-5-(methylamino)-2-(3-(trifluoromethyl)phenyl)-3(2H)-pyridazinone|4-Chloro-5-(methylamino)-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-3(2H)-pyridazinone|4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]-3(2H)-pyridazinone|4-Chloro-5-methylamino-2-(3-trifluoromethylphenyl)pyridazin-3-one|5-25-14-00201|BRN 0757115|Caswell No. 195AA|EC No.: 248-397-1|EINECS 248-397-1|EPA Pesticide Chemical Code 105801|Monometflurazon|Monometflurazone|NF|Norflurazon technical|P.C. Code 105801|PC 105801|SAN 9789|Solicam|Solicam Rapid|UNII-KES1HB07E4|Zorial Rapid 80|12680-38-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024234
ERPathway2016 ERPathway2016_1422 Norflurazon 27314-13-2 DTXSID8024234 ER Pathway Model, Antagonist Model Score 0 Unitless CNC1=C(Cl)C(=O)N(N=C1)C1=CC(=CC=C1)C(F)(F)F Norflurazon 27314-13-2|Norflurazon|1-(3-Trifluoromethylphenyl)-4-methylamino-5-chloropyridazone|248-397-1|3(2H)-Pyridazinone, 4-chloro-5-(methylamino)-2-(3-(trifluoromethyl)phenyl)-|4-Chloro-5-(methylamino)-2-(3-(trifluoromethyl)phenyl)-3(2H)-pyridazinone|4-Chloro-5-(methylamino)-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-3(2H)-pyridazinone|4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]-3(2H)-pyridazinone|4-Chloro-5-methylamino-2-(3-trifluoromethylphenyl)pyridazin-3-one|5-25-14-00201|BRN 0757115|Caswell No. 195AA|EC No.: 248-397-1|EINECS 248-397-1|EPA Pesticide Chemical Code 105801|Monometflurazon|Monometflurazone|NF|Norflurazon technical|P.C. Code 105801|PC 105801|SAN 9789|Solicam|Solicam Rapid|UNII-KES1HB07E4|Zorial Rapid 80|12680-38-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024234
ERPathway2016 ERPathway2016_1422 Norflurazon 27314-13-2 DTXSID8024234 ER Pathway Model, Agonist Call Inactive Unitless CNC1=C(Cl)C(=O)N(N=C1)C1=CC(=CC=C1)C(F)(F)F Norflurazon 27314-13-2|Norflurazon|1-(3-Trifluoromethylphenyl)-4-methylamino-5-chloropyridazone|248-397-1|3(2H)-Pyridazinone, 4-chloro-5-(methylamino)-2-(3-(trifluoromethyl)phenyl)-|4-Chloro-5-(methylamino)-2-(3-(trifluoromethyl)phenyl)-3(2H)-pyridazinone|4-Chloro-5-(methylamino)-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-3(2H)-pyridazinone|4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]-3(2H)-pyridazinone|4-Chloro-5-methylamino-2-(3-trifluoromethylphenyl)pyridazin-3-one|5-25-14-00201|BRN 0757115|Caswell No. 195AA|EC No.: 248-397-1|EINECS 248-397-1|EPA Pesticide Chemical Code 105801|Monometflurazon|Monometflurazone|NF|Norflurazon technical|P.C. Code 105801|PC 105801|SAN 9789|Solicam|Solicam Rapid|UNII-KES1HB07E4|Zorial Rapid 80|12680-38-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024234
ERPathway2016 ERPathway2016_1422 Norflurazon 27314-13-2 DTXSID8024234 ER Pathway Model, Antagonist Call Inactive Unitless CNC1=C(Cl)C(=O)N(N=C1)C1=CC(=CC=C1)C(F)(F)F Norflurazon 27314-13-2|Norflurazon|1-(3-Trifluoromethylphenyl)-4-methylamino-5-chloropyridazone|248-397-1|3(2H)-Pyridazinone, 4-chloro-5-(methylamino)-2-(3-(trifluoromethyl)phenyl)-|4-Chloro-5-(methylamino)-2-(3-(trifluoromethyl)phenyl)-3(2H)-pyridazinone|4-Chloro-5-(methylamino)-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-3(2H)-pyridazinone|4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]-3(2H)-pyridazinone|4-Chloro-5-methylamino-2-(3-trifluoromethylphenyl)pyridazin-3-one|5-25-14-00201|BRN 0757115|Caswell No. 195AA|EC No.: 248-397-1|EINECS 248-397-1|EPA Pesticide Chemical Code 105801|Monometflurazon|Monometflurazone|NF|Norflurazon technical|P.C. Code 105801|PC 105801|SAN 9789|Solicam|Solicam Rapid|UNII-KES1HB07E4|Zorial Rapid 80|12680-38-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024234
ARPathway2016 ARPathway2016_634 Novaluron 116714-46-6 DTXSID5034773 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless FC(OC(F)(F)F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1 Novaluron 116714-46-6|Novaluron|Benzamide, N-[[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]amino]carbonyl]-2,6-difluoro|Diamond|N-[[[3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]amino]carbonyl]-2,6-difluorobenzamide|Rimon|UNII-Z8H1B3CW0B https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034773
ARPathway2016 ARPathway2016_634 Novaluron 116714-46-6 DTXSID5034773 0.0 AR Pathway Model, Agonist Model Score 0 Unitless FC(OC(F)(F)F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1 Novaluron 116714-46-6|Novaluron|Benzamide, N-[[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]amino]carbonyl]-2,6-difluoro|Diamond|N-[[[3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]amino]carbonyl]-2,6-difluorobenzamide|Rimon|UNII-Z8H1B3CW0B https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034773
ARPathway2016 ARPathway2016_634 Novaluron 116714-46-6 DTXSID5034773 0.0 AR Pathway Model, Agonist Call Inactive Unitless FC(OC(F)(F)F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1 Novaluron 116714-46-6|Novaluron|Benzamide, N-[[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]amino]carbonyl]-2,6-difluoro|Diamond|N-[[[3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]amino]carbonyl]-2,6-difluorobenzamide|Rimon|UNII-Z8H1B3CW0B https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034773
ARPathway2016 ARPathway2016_634 Novaluron 116714-46-6 DTXSID5034773 0.0 AR Pathway Model, Antagonist Call Inactive Unitless FC(OC(F)(F)F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1 Novaluron 116714-46-6|Novaluron|Benzamide, N-[[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]amino]carbonyl]-2,6-difluoro|Diamond|N-[[[3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]amino]carbonyl]-2,6-difluorobenzamide|Rimon|UNII-Z8H1B3CW0B https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034773
ERPathway2016 ERPathway2016_1192 Novaluron 116714-46-6 DTXSID5034773 ER Pathway Model, Agonist Model Score 0 Unitless FC(OC(F)(F)F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1 Novaluron 116714-46-6|Novaluron|Benzamide, N-[[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]amino]carbonyl]-2,6-difluoro|Diamond|N-[[[3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]amino]carbonyl]-2,6-difluorobenzamide|Rimon|UNII-Z8H1B3CW0B https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034773
ERPathway2016 ERPathway2016_1192 Novaluron 116714-46-6 DTXSID5034773 ER Pathway Model, Antagonist Model Score 0 Unitless FC(OC(F)(F)F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1 Novaluron 116714-46-6|Novaluron|Benzamide, N-[[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]amino]carbonyl]-2,6-difluoro|Diamond|N-[[[3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]amino]carbonyl]-2,6-difluorobenzamide|Rimon|UNII-Z8H1B3CW0B https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034773
ERPathway2016 ERPathway2016_1192 Novaluron 116714-46-6 DTXSID5034773 ER Pathway Model, Agonist Call Inactive Unitless FC(OC(F)(F)F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1 Novaluron 116714-46-6|Novaluron|Benzamide, N-[[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]amino]carbonyl]-2,6-difluoro|Diamond|N-[[[3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]amino]carbonyl]-2,6-difluorobenzamide|Rimon|UNII-Z8H1B3CW0B https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034773
ERPathway2016 ERPathway2016_1192 Novaluron 116714-46-6 DTXSID5034773 ER Pathway Model, Antagonist Call Inactive Unitless FC(OC(F)(F)F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1 Novaluron 116714-46-6|Novaluron|Benzamide, N-[[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]amino]carbonyl]-2,6-difluoro|Diamond|N-[[[3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]amino]carbonyl]-2,6-difluorobenzamide|Rimon|UNII-Z8H1B3CW0B https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034773
ARPathway2016 ARPathway2016_413 N-Phenyl-1,4-benzenediamine 101-54-2 DTXSID7025895 FLAG: Wrong direction (Hit/No hit) -1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(NC2=CC=CC=C2)C=C1 N-Phenyl-1,4-benzenediamine 101-54-2|N-Phenyl-1,4-benzenediamine|(4-(Phenylamino)phenyl)amine|1,4-Benzenediamine, N-phenyl-|1,4-Benzenediamine, N1-phenyl-|4-(Phenylamino)aniline|4-Amino-N-phenylaniline|4-AMINODIPHENYLAMIN|4-Aminodiphenylamine|4-Anilinoaniline|4-Anilinophenylamine|Acna Black DF Base|Azosalt R|Black Base P|C.I. Azoic Diazo Component 22|C.I. Developer 15|C.I. Oxidation Base 2|CI Azoic Diazo Component 22|CI Developer 15|CI Oxidation Base 2|Diphenyl Black|DIPHENYLAMINE, 4-AMINO-|Diphenylamine, p-amino-|EINECS 202-951-9|Fast Blue R Salt|Luxan Black R|N-(4-aminofenil)anilina|N-(4-Aminophenyl)anilin|N-(4-Aminophenyl)aniline|N-4'-Bianiline|N-Fenyl-p-fenylendiamin|N-Phenyl-1,4-phenylenediamine|N-Phenyl-p-aminoaniline|N-Phenyl-p-phenylenediamine|N, 4'-Bianiline|N,4'-Bianiline|Naphthoelan Navy Blue|NCI-C02233|NSC 3401|NSC 37074|Oxy Acid Black Base|p-(Phenylamino)aniline|p-Aminodifenylamin|p-Aminodiphenylamine|p-Anilinoaniline|p-Phenylenediamine, N-phenyl-|p-Semidine|Peltol BR|Peltol BR II|Rodol Gray B base|Semidin|Semidine|UNII-007X4XXS71|Variamine Blue RT|Variamine B|12227-74-6|76600-63-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025895 https://doi.org/10.22427/NTP-DATA-DTXSID7025895
ARPathway2016 ARPathway2016_413 N-Phenyl-1,4-benzenediamine 101-54-2 DTXSID7025895 FLAG: Wrong direction (Hit/No hit) -1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless NC1=CC=C(NC2=CC=CC=C2)C=C1 N-Phenyl-1,4-benzenediamine 101-54-2|N-Phenyl-1,4-benzenediamine|(4-(Phenylamino)phenyl)amine|1,4-Benzenediamine, N-phenyl-|1,4-Benzenediamine, N1-phenyl-|4-(Phenylamino)aniline|4-Amino-N-phenylaniline|4-AMINODIPHENYLAMIN|4-Aminodiphenylamine|4-Anilinoaniline|4-Anilinophenylamine|Acna Black DF Base|Azosalt R|Black Base P|C.I. Azoic Diazo Component 22|C.I. Developer 15|C.I. Oxidation Base 2|CI Azoic Diazo Component 22|CI Developer 15|CI Oxidation Base 2|Diphenyl Black|DIPHENYLAMINE, 4-AMINO-|Diphenylamine, p-amino-|EINECS 202-951-9|Fast Blue R Salt|Luxan Black R|N-(4-aminofenil)anilina|N-(4-Aminophenyl)anilin|N-(4-Aminophenyl)aniline|N-4'-Bianiline|N-Fenyl-p-fenylendiamin|N-Phenyl-1,4-phenylenediamine|N-Phenyl-p-aminoaniline|N-Phenyl-p-phenylenediamine|N, 4'-Bianiline|N,4'-Bianiline|Naphthoelan Navy Blue|NCI-C02233|NSC 3401|NSC 37074|Oxy Acid Black Base|p-(Phenylamino)aniline|p-Aminodifenylamin|p-Aminodiphenylamine|p-Anilinoaniline|p-Phenylenediamine, N-phenyl-|p-Semidine|Peltol BR|Peltol BR II|Rodol Gray B base|Semidin|Semidine|UNII-007X4XXS71|Variamine Blue RT|Variamine B|12227-74-6|76600-63-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025895 https://doi.org/10.22427/NTP-DATA-DTXSID7025895
ARPathway2016 ARPathway2016_413 N-Phenyl-1,4-benzenediamine 101-54-2 DTXSID7025895 FLAG: Wrong direction (Hit/No hit) -1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC=C(NC2=CC=CC=C2)C=C1 N-Phenyl-1,4-benzenediamine 101-54-2|N-Phenyl-1,4-benzenediamine|(4-(Phenylamino)phenyl)amine|1,4-Benzenediamine, N-phenyl-|1,4-Benzenediamine, N1-phenyl-|4-(Phenylamino)aniline|4-Amino-N-phenylaniline|4-AMINODIPHENYLAMIN|4-Aminodiphenylamine|4-Anilinoaniline|4-Anilinophenylamine|Acna Black DF Base|Azosalt R|Black Base P|C.I. Azoic Diazo Component 22|C.I. Developer 15|C.I. Oxidation Base 2|CI Azoic Diazo Component 22|CI Developer 15|CI Oxidation Base 2|Diphenyl Black|DIPHENYLAMINE, 4-AMINO-|Diphenylamine, p-amino-|EINECS 202-951-9|Fast Blue R Salt|Luxan Black R|N-(4-aminofenil)anilina|N-(4-Aminophenyl)anilin|N-(4-Aminophenyl)aniline|N-4'-Bianiline|N-Fenyl-p-fenylendiamin|N-Phenyl-1,4-phenylenediamine|N-Phenyl-p-aminoaniline|N-Phenyl-p-phenylenediamine|N, 4'-Bianiline|N,4'-Bianiline|Naphthoelan Navy Blue|NCI-C02233|NSC 3401|NSC 37074|Oxy Acid Black Base|p-(Phenylamino)aniline|p-Aminodifenylamin|p-Aminodiphenylamine|p-Anilinoaniline|p-Phenylenediamine, N-phenyl-|p-Semidine|Peltol BR|Peltol BR II|Rodol Gray B base|Semidin|Semidine|UNII-007X4XXS71|Variamine Blue RT|Variamine B|12227-74-6|76600-63-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025895 https://doi.org/10.22427/NTP-DATA-DTXSID7025895
ARPathway2016 ARPathway2016_413 N-Phenyl-1,4-benzenediamine 101-54-2 DTXSID7025895 FLAG: Wrong direction (Hit/No hit) -1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(NC2=CC=CC=C2)C=C1 N-Phenyl-1,4-benzenediamine 101-54-2|N-Phenyl-1,4-benzenediamine|(4-(Phenylamino)phenyl)amine|1,4-Benzenediamine, N-phenyl-|1,4-Benzenediamine, N1-phenyl-|4-(Phenylamino)aniline|4-Amino-N-phenylaniline|4-AMINODIPHENYLAMIN|4-Aminodiphenylamine|4-Anilinoaniline|4-Anilinophenylamine|Acna Black DF Base|Azosalt R|Black Base P|C.I. Azoic Diazo Component 22|C.I. Developer 15|C.I. Oxidation Base 2|CI Azoic Diazo Component 22|CI Developer 15|CI Oxidation Base 2|Diphenyl Black|DIPHENYLAMINE, 4-AMINO-|Diphenylamine, p-amino-|EINECS 202-951-9|Fast Blue R Salt|Luxan Black R|N-(4-aminofenil)anilina|N-(4-Aminophenyl)anilin|N-(4-Aminophenyl)aniline|N-4'-Bianiline|N-Fenyl-p-fenylendiamin|N-Phenyl-1,4-phenylenediamine|N-Phenyl-p-aminoaniline|N-Phenyl-p-phenylenediamine|N, 4'-Bianiline|N,4'-Bianiline|Naphthoelan Navy Blue|NCI-C02233|NSC 3401|NSC 37074|Oxy Acid Black Base|p-(Phenylamino)aniline|p-Aminodifenylamin|p-Aminodiphenylamine|p-Anilinoaniline|p-Phenylenediamine, N-phenyl-|p-Semidine|Peltol BR|Peltol BR II|Rodol Gray B base|Semidin|Semidine|UNII-007X4XXS71|Variamine Blue RT|Variamine B|12227-74-6|76600-63-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025895 https://doi.org/10.22427/NTP-DATA-DTXSID7025895
ERPathway2016 ERPathway2016_496 N-Phenyl-1,4-benzenediamine 101-54-2 DTXSID7025895 ER Pathway Model, Agonist Model Score 0 Unitless NC1=CC=C(NC2=CC=CC=C2)C=C1 N-Phenyl-1,4-benzenediamine 101-54-2|N-Phenyl-1,4-benzenediamine|(4-(Phenylamino)phenyl)amine|1,4-Benzenediamine, N-phenyl-|1,4-Benzenediamine, N1-phenyl-|4-(Phenylamino)aniline|4-Amino-N-phenylaniline|4-AMINODIPHENYLAMIN|4-Aminodiphenylamine|4-Anilinoaniline|4-Anilinophenylamine|Acna Black DF Base|Azosalt R|Black Base P|C.I. Azoic Diazo Component 22|C.I. Developer 15|C.I. Oxidation Base 2|CI Azoic Diazo Component 22|CI Developer 15|CI Oxidation Base 2|Diphenyl Black|DIPHENYLAMINE, 4-AMINO-|Diphenylamine, p-amino-|EINECS 202-951-9|Fast Blue R Salt|Luxan Black R|N-(4-aminofenil)anilina|N-(4-Aminophenyl)anilin|N-(4-Aminophenyl)aniline|N-4'-Bianiline|N-Fenyl-p-fenylendiamin|N-Phenyl-1,4-phenylenediamine|N-Phenyl-p-aminoaniline|N-Phenyl-p-phenylenediamine|N, 4'-Bianiline|N,4'-Bianiline|Naphthoelan Navy Blue|NCI-C02233|NSC 3401|NSC 37074|Oxy Acid Black Base|p-(Phenylamino)aniline|p-Aminodifenylamin|p-Aminodiphenylamine|p-Anilinoaniline|p-Phenylenediamine, N-phenyl-|p-Semidine|Peltol BR|Peltol BR II|Rodol Gray B base|Semidin|Semidine|UNII-007X4XXS71|Variamine Blue RT|Variamine B|12227-74-6|76600-63-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025895 https://doi.org/10.22427/NTP-DATA-DTXSID7025895
ERPathway2016 ERPathway2016_496 N-Phenyl-1,4-benzenediamine 101-54-2 DTXSID7025895 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(NC2=CC=CC=C2)C=C1 N-Phenyl-1,4-benzenediamine 101-54-2|N-Phenyl-1,4-benzenediamine|(4-(Phenylamino)phenyl)amine|1,4-Benzenediamine, N-phenyl-|1,4-Benzenediamine, N1-phenyl-|4-(Phenylamino)aniline|4-Amino-N-phenylaniline|4-AMINODIPHENYLAMIN|4-Aminodiphenylamine|4-Anilinoaniline|4-Anilinophenylamine|Acna Black DF Base|Azosalt R|Black Base P|C.I. Azoic Diazo Component 22|C.I. Developer 15|C.I. Oxidation Base 2|CI Azoic Diazo Component 22|CI Developer 15|CI Oxidation Base 2|Diphenyl Black|DIPHENYLAMINE, 4-AMINO-|Diphenylamine, p-amino-|EINECS 202-951-9|Fast Blue R Salt|Luxan Black R|N-(4-aminofenil)anilina|N-(4-Aminophenyl)anilin|N-(4-Aminophenyl)aniline|N-4'-Bianiline|N-Fenyl-p-fenylendiamin|N-Phenyl-1,4-phenylenediamine|N-Phenyl-p-aminoaniline|N-Phenyl-p-phenylenediamine|N, 4'-Bianiline|N,4'-Bianiline|Naphthoelan Navy Blue|NCI-C02233|NSC 3401|NSC 37074|Oxy Acid Black Base|p-(Phenylamino)aniline|p-Aminodifenylamin|p-Aminodiphenylamine|p-Anilinoaniline|p-Phenylenediamine, N-phenyl-|p-Semidine|Peltol BR|Peltol BR II|Rodol Gray B base|Semidin|Semidine|UNII-007X4XXS71|Variamine Blue RT|Variamine B|12227-74-6|76600-63-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025895 https://doi.org/10.22427/NTP-DATA-DTXSID7025895
ERPathway2016 ERPathway2016_496 N-Phenyl-1,4-benzenediamine 101-54-2 DTXSID7025895 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(NC2=CC=CC=C2)C=C1 N-Phenyl-1,4-benzenediamine 101-54-2|N-Phenyl-1,4-benzenediamine|(4-(Phenylamino)phenyl)amine|1,4-Benzenediamine, N-phenyl-|1,4-Benzenediamine, N1-phenyl-|4-(Phenylamino)aniline|4-Amino-N-phenylaniline|4-AMINODIPHENYLAMIN|4-Aminodiphenylamine|4-Anilinoaniline|4-Anilinophenylamine|Acna Black DF Base|Azosalt R|Black Base P|C.I. Azoic Diazo Component 22|C.I. Developer 15|C.I. Oxidation Base 2|CI Azoic Diazo Component 22|CI Developer 15|CI Oxidation Base 2|Diphenyl Black|DIPHENYLAMINE, 4-AMINO-|Diphenylamine, p-amino-|EINECS 202-951-9|Fast Blue R Salt|Luxan Black R|N-(4-aminofenil)anilina|N-(4-Aminophenyl)anilin|N-(4-Aminophenyl)aniline|N-4'-Bianiline|N-Fenyl-p-fenylendiamin|N-Phenyl-1,4-phenylenediamine|N-Phenyl-p-aminoaniline|N-Phenyl-p-phenylenediamine|N, 4'-Bianiline|N,4'-Bianiline|Naphthoelan Navy Blue|NCI-C02233|NSC 3401|NSC 37074|Oxy Acid Black Base|p-(Phenylamino)aniline|p-Aminodifenylamin|p-Aminodiphenylamine|p-Anilinoaniline|p-Phenylenediamine, N-phenyl-|p-Semidine|Peltol BR|Peltol BR II|Rodol Gray B base|Semidin|Semidine|UNII-007X4XXS71|Variamine Blue RT|Variamine B|12227-74-6|76600-63-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025895 https://doi.org/10.22427/NTP-DATA-DTXSID7025895
ERPathway2016 ERPathway2016_496 N-Phenyl-1,4-benzenediamine 101-54-2 DTXSID7025895 ER Pathway Model, Antagonist Call Inactive Unitless NC1=CC=C(NC2=CC=CC=C2)C=C1 N-Phenyl-1,4-benzenediamine 101-54-2|N-Phenyl-1,4-benzenediamine|(4-(Phenylamino)phenyl)amine|1,4-Benzenediamine, N-phenyl-|1,4-Benzenediamine, N1-phenyl-|4-(Phenylamino)aniline|4-Amino-N-phenylaniline|4-AMINODIPHENYLAMIN|4-Aminodiphenylamine|4-Anilinoaniline|4-Anilinophenylamine|Acna Black DF Base|Azosalt R|Black Base P|C.I. Azoic Diazo Component 22|C.I. Developer 15|C.I. Oxidation Base 2|CI Azoic Diazo Component 22|CI Developer 15|CI Oxidation Base 2|Diphenyl Black|DIPHENYLAMINE, 4-AMINO-|Diphenylamine, p-amino-|EINECS 202-951-9|Fast Blue R Salt|Luxan Black R|N-(4-aminofenil)anilina|N-(4-Aminophenyl)anilin|N-(4-Aminophenyl)aniline|N-4'-Bianiline|N-Fenyl-p-fenylendiamin|N-Phenyl-1,4-phenylenediamine|N-Phenyl-p-aminoaniline|N-Phenyl-p-phenylenediamine|N, 4'-Bianiline|N,4'-Bianiline|Naphthoelan Navy Blue|NCI-C02233|NSC 3401|NSC 37074|Oxy Acid Black Base|p-(Phenylamino)aniline|p-Aminodifenylamin|p-Aminodiphenylamine|p-Anilinoaniline|p-Phenylenediamine, N-phenyl-|p-Semidine|Peltol BR|Peltol BR II|Rodol Gray B base|Semidin|Semidine|UNII-007X4XXS71|Variamine Blue RT|Variamine B|12227-74-6|76600-63-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025895 https://doi.org/10.22427/NTP-DATA-DTXSID7025895
ARPathway2016 ARPathway2016_308 N-Phenyl-1-naphthylamine 90-30-2 DTXSID2025892 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Agonist AC50 32.76379776 uM N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1 N-Phenyl-1-naphthylamine 90-30-2|N-Phenyl-1-naphthylamine|1-(N-phenylamino)-naphthalene|1-(N-Phenylamino)naphthalene|1-(Phenylamino)naphthalene|1-Anilinonaphthalene|1-Naphthalenamine, N-phenyl-|1-Naphthylamine, N-phenyl-|1-Naphthylphenylamine|4-12-00-03015|Aceto PAN|alpha-Naphthylphenylamine|Antigene PA|Antigene PAN|Antioxidant A|Antioxidant PAN|BRN 2211174|EINECS 201-983-0|Fenyl-alpha-naftylamin|Irganox L 05|N-(1-Naphthyl)-N-phenylamine|N-(1-Naphthyl)aniline|N-1-naftilanilina|N-1-Naphthylanilin|N-1-naphthylaniline|N-1-Naphtylaniline|N-Fenyl-1-aminonaftalen|N-Phenyl-1-aminonaphthalene|N-Phenyl-1-naphthalenamine|N-PHENYL-1-NAPHTHYLAMIN|N-PHENYL-1-NAPTHYLAMINE|n-Phenyl-alpha-naphthylamine|N-PHENYL-a-NAPHTHYLAMINE|N-Phenyl-a-napthylamine|NAPHTHYLAMINE, N-PHENYL-|Naugard PANA|Neozone A|Nocrac PA|Nonox A|Nonox AN|NSC 2622|Phenyl-1-naphthylamine|PHENYLNAPHTHYLAMINE|UNII-5I112077IN|Vulkanox PAN|a-Naphthylphenylamine|219315-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025892 https://doi.org/10.22427/NTP-DATA-DTXSID2025892
ARPathway2016 ARPathway2016_308 N-Phenyl-1-naphthylamine 90-30-2 DTXSID2025892 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Agonist ACC 48.1938433833489 uM N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1 N-Phenyl-1-naphthylamine 90-30-2|N-Phenyl-1-naphthylamine|1-(N-phenylamino)-naphthalene|1-(N-Phenylamino)naphthalene|1-(Phenylamino)naphthalene|1-Anilinonaphthalene|1-Naphthalenamine, N-phenyl-|1-Naphthylamine, N-phenyl-|1-Naphthylphenylamine|4-12-00-03015|Aceto PAN|alpha-Naphthylphenylamine|Antigene PA|Antigene PAN|Antioxidant A|Antioxidant PAN|BRN 2211174|EINECS 201-983-0|Fenyl-alpha-naftylamin|Irganox L 05|N-(1-Naphthyl)-N-phenylamine|N-(1-Naphthyl)aniline|N-1-naftilanilina|N-1-Naphthylanilin|N-1-naphthylaniline|N-1-Naphtylaniline|N-Fenyl-1-aminonaftalen|N-Phenyl-1-aminonaphthalene|N-Phenyl-1-naphthalenamine|N-PHENYL-1-NAPHTHYLAMIN|N-PHENYL-1-NAPTHYLAMINE|n-Phenyl-alpha-naphthylamine|N-PHENYL-a-NAPHTHYLAMINE|N-Phenyl-a-napthylamine|NAPHTHYLAMINE, N-PHENYL-|Naugard PANA|Neozone A|Nocrac PA|Nonox A|Nonox AN|NSC 2622|Phenyl-1-naphthylamine|PHENYLNAPHTHYLAMINE|UNII-5I112077IN|Vulkanox PAN|a-Naphthylphenylamine|219315-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025892 https://doi.org/10.22427/NTP-DATA-DTXSID2025892
ARPathway2016 ARPathway2016_308 N-Phenyl-1-naphthylamine 90-30-2 DTXSID2025892 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Antagonist Model Score 0.0262 Unitless N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1 N-Phenyl-1-naphthylamine 90-30-2|N-Phenyl-1-naphthylamine|1-(N-phenylamino)-naphthalene|1-(N-Phenylamino)naphthalene|1-(Phenylamino)naphthalene|1-Anilinonaphthalene|1-Naphthalenamine, N-phenyl-|1-Naphthylamine, N-phenyl-|1-Naphthylphenylamine|4-12-00-03015|Aceto PAN|alpha-Naphthylphenylamine|Antigene PA|Antigene PAN|Antioxidant A|Antioxidant PAN|BRN 2211174|EINECS 201-983-0|Fenyl-alpha-naftylamin|Irganox L 05|N-(1-Naphthyl)-N-phenylamine|N-(1-Naphthyl)aniline|N-1-naftilanilina|N-1-Naphthylanilin|N-1-naphthylaniline|N-1-Naphtylaniline|N-Fenyl-1-aminonaftalen|N-Phenyl-1-aminonaphthalene|N-Phenyl-1-naphthalenamine|N-PHENYL-1-NAPHTHYLAMIN|N-PHENYL-1-NAPTHYLAMINE|n-Phenyl-alpha-naphthylamine|N-PHENYL-a-NAPHTHYLAMINE|N-Phenyl-a-napthylamine|NAPHTHYLAMINE, N-PHENYL-|Naugard PANA|Neozone A|Nocrac PA|Nonox A|Nonox AN|NSC 2622|Phenyl-1-naphthylamine|PHENYLNAPHTHYLAMINE|UNII-5I112077IN|Vulkanox PAN|a-Naphthylphenylamine|219315-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025892 https://doi.org/10.22427/NTP-DATA-DTXSID2025892
ARPathway2016 ARPathway2016_308 N-Phenyl-1-naphthylamine 90-30-2 DTXSID2025892 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1 N-Phenyl-1-naphthylamine 90-30-2|N-Phenyl-1-naphthylamine|1-(N-phenylamino)-naphthalene|1-(N-Phenylamino)naphthalene|1-(Phenylamino)naphthalene|1-Anilinonaphthalene|1-Naphthalenamine, N-phenyl-|1-Naphthylamine, N-phenyl-|1-Naphthylphenylamine|4-12-00-03015|Aceto PAN|alpha-Naphthylphenylamine|Antigene PA|Antigene PAN|Antioxidant A|Antioxidant PAN|BRN 2211174|EINECS 201-983-0|Fenyl-alpha-naftylamin|Irganox L 05|N-(1-Naphthyl)-N-phenylamine|N-(1-Naphthyl)aniline|N-1-naftilanilina|N-1-Naphthylanilin|N-1-naphthylaniline|N-1-Naphtylaniline|N-Fenyl-1-aminonaftalen|N-Phenyl-1-aminonaphthalene|N-Phenyl-1-naphthalenamine|N-PHENYL-1-NAPHTHYLAMIN|N-PHENYL-1-NAPTHYLAMINE|n-Phenyl-alpha-naphthylamine|N-PHENYL-a-NAPHTHYLAMINE|N-Phenyl-a-napthylamine|NAPHTHYLAMINE, N-PHENYL-|Naugard PANA|Neozone A|Nocrac PA|Nonox A|Nonox AN|NSC 2622|Phenyl-1-naphthylamine|PHENYLNAPHTHYLAMINE|UNII-5I112077IN|Vulkanox PAN|a-Naphthylphenylamine|219315-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025892 https://doi.org/10.22427/NTP-DATA-DTXSID2025892
ARPathway2016 ARPathway2016_308 N-Phenyl-1-naphthylamine 90-30-2 DTXSID2025892 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Agonist Call Active Unitless N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1 N-Phenyl-1-naphthylamine 90-30-2|N-Phenyl-1-naphthylamine|1-(N-phenylamino)-naphthalene|1-(N-Phenylamino)naphthalene|1-(Phenylamino)naphthalene|1-Anilinonaphthalene|1-Naphthalenamine, N-phenyl-|1-Naphthylamine, N-phenyl-|1-Naphthylphenylamine|4-12-00-03015|Aceto PAN|alpha-Naphthylphenylamine|Antigene PA|Antigene PAN|Antioxidant A|Antioxidant PAN|BRN 2211174|EINECS 201-983-0|Fenyl-alpha-naftylamin|Irganox L 05|N-(1-Naphthyl)-N-phenylamine|N-(1-Naphthyl)aniline|N-1-naftilanilina|N-1-Naphthylanilin|N-1-naphthylaniline|N-1-Naphtylaniline|N-Fenyl-1-aminonaftalen|N-Phenyl-1-aminonaphthalene|N-Phenyl-1-naphthalenamine|N-PHENYL-1-NAPHTHYLAMIN|N-PHENYL-1-NAPTHYLAMINE|n-Phenyl-alpha-naphthylamine|N-PHENYL-a-NAPHTHYLAMINE|N-Phenyl-a-napthylamine|NAPHTHYLAMINE, N-PHENYL-|Naugard PANA|Neozone A|Nocrac PA|Nonox A|Nonox AN|NSC 2622|Phenyl-1-naphthylamine|PHENYLNAPHTHYLAMINE|UNII-5I112077IN|Vulkanox PAN|a-Naphthylphenylamine|219315-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025892 https://doi.org/10.22427/NTP-DATA-DTXSID2025892
ARPathway2016 ARPathway2016_308 N-Phenyl-1-naphthylamine 90-30-2 DTXSID2025892 FLAG: Antagonist shift, but CI overlap 2.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1 N-Phenyl-1-naphthylamine 90-30-2|N-Phenyl-1-naphthylamine|1-(N-phenylamino)-naphthalene|1-(N-Phenylamino)naphthalene|1-(Phenylamino)naphthalene|1-Anilinonaphthalene|1-Naphthalenamine, N-phenyl-|1-Naphthylamine, N-phenyl-|1-Naphthylphenylamine|4-12-00-03015|Aceto PAN|alpha-Naphthylphenylamine|Antigene PA|Antigene PAN|Antioxidant A|Antioxidant PAN|BRN 2211174|EINECS 201-983-0|Fenyl-alpha-naftylamin|Irganox L 05|N-(1-Naphthyl)-N-phenylamine|N-(1-Naphthyl)aniline|N-1-naftilanilina|N-1-Naphthylanilin|N-1-naphthylaniline|N-1-Naphtylaniline|N-Fenyl-1-aminonaftalen|N-Phenyl-1-aminonaphthalene|N-Phenyl-1-naphthalenamine|N-PHENYL-1-NAPHTHYLAMIN|N-PHENYL-1-NAPTHYLAMINE|n-Phenyl-alpha-naphthylamine|N-PHENYL-a-NAPHTHYLAMINE|N-Phenyl-a-napthylamine|NAPHTHYLAMINE, N-PHENYL-|Naugard PANA|Neozone A|Nocrac PA|Nonox A|Nonox AN|NSC 2622|Phenyl-1-naphthylamine|PHENYLNAPHTHYLAMINE|UNII-5I112077IN|Vulkanox PAN|a-Naphthylphenylamine|219315-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025892 https://doi.org/10.22427/NTP-DATA-DTXSID2025892
ERPathway2016 ERPathway2016_295 N-Phenyl-1-naphthylamine 90-30-2 DTXSID2025892 ER Pathway Model, Antagonist AC50 2.26691874681094 uM N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1 N-Phenyl-1-naphthylamine 90-30-2|N-Phenyl-1-naphthylamine|1-(N-phenylamino)-naphthalene|1-(N-Phenylamino)naphthalene|1-(Phenylamino)naphthalene|1-Anilinonaphthalene|1-Naphthalenamine, N-phenyl-|1-Naphthylamine, N-phenyl-|1-Naphthylphenylamine|4-12-00-03015|Aceto PAN|alpha-Naphthylphenylamine|Antigene PA|Antigene PAN|Antioxidant A|Antioxidant PAN|BRN 2211174|EINECS 201-983-0|Fenyl-alpha-naftylamin|Irganox L 05|N-(1-Naphthyl)-N-phenylamine|N-(1-Naphthyl)aniline|N-1-naftilanilina|N-1-Naphthylanilin|N-1-naphthylaniline|N-1-Naphtylaniline|N-Fenyl-1-aminonaftalen|N-Phenyl-1-aminonaphthalene|N-Phenyl-1-naphthalenamine|N-PHENYL-1-NAPHTHYLAMIN|N-PHENYL-1-NAPTHYLAMINE|n-Phenyl-alpha-naphthylamine|N-PHENYL-a-NAPHTHYLAMINE|N-Phenyl-a-napthylamine|NAPHTHYLAMINE, N-PHENYL-|Naugard PANA|Neozone A|Nocrac PA|Nonox A|Nonox AN|NSC 2622|Phenyl-1-naphthylamine|PHENYLNAPHTHYLAMINE|UNII-5I112077IN|Vulkanox PAN|a-Naphthylphenylamine|219315-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025892 https://doi.org/10.22427/NTP-DATA-DTXSID2025892
ERPathway2016 ERPathway2016_295 N-Phenyl-1-naphthylamine 90-30-2 DTXSID2025892 ER Pathway Model, Antagonist ACC 1.86844539404766 uM N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1 N-Phenyl-1-naphthylamine 90-30-2|N-Phenyl-1-naphthylamine|1-(N-phenylamino)-naphthalene|1-(N-Phenylamino)naphthalene|1-(Phenylamino)naphthalene|1-Anilinonaphthalene|1-Naphthalenamine, N-phenyl-|1-Naphthylamine, N-phenyl-|1-Naphthylphenylamine|4-12-00-03015|Aceto PAN|alpha-Naphthylphenylamine|Antigene PA|Antigene PAN|Antioxidant A|Antioxidant PAN|BRN 2211174|EINECS 201-983-0|Fenyl-alpha-naftylamin|Irganox L 05|N-(1-Naphthyl)-N-phenylamine|N-(1-Naphthyl)aniline|N-1-naftilanilina|N-1-Naphthylanilin|N-1-naphthylaniline|N-1-Naphtylaniline|N-Fenyl-1-aminonaftalen|N-Phenyl-1-aminonaphthalene|N-Phenyl-1-naphthalenamine|N-PHENYL-1-NAPHTHYLAMIN|N-PHENYL-1-NAPTHYLAMINE|n-Phenyl-alpha-naphthylamine|N-PHENYL-a-NAPHTHYLAMINE|N-Phenyl-a-napthylamine|NAPHTHYLAMINE, N-PHENYL-|Naugard PANA|Neozone A|Nocrac PA|Nonox A|Nonox AN|NSC 2622|Phenyl-1-naphthylamine|PHENYLNAPHTHYLAMINE|UNII-5I112077IN|Vulkanox PAN|a-Naphthylphenylamine|219315-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025892 https://doi.org/10.22427/NTP-DATA-DTXSID2025892
ERPathway2016 ERPathway2016_295 N-Phenyl-1-naphthylamine 90-30-2 DTXSID2025892 ER Pathway Model, Agonist Model Score 0.0386 Unitless N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1 N-Phenyl-1-naphthylamine 90-30-2|N-Phenyl-1-naphthylamine|1-(N-phenylamino)-naphthalene|1-(N-Phenylamino)naphthalene|1-(Phenylamino)naphthalene|1-Anilinonaphthalene|1-Naphthalenamine, N-phenyl-|1-Naphthylamine, N-phenyl-|1-Naphthylphenylamine|4-12-00-03015|Aceto PAN|alpha-Naphthylphenylamine|Antigene PA|Antigene PAN|Antioxidant A|Antioxidant PAN|BRN 2211174|EINECS 201-983-0|Fenyl-alpha-naftylamin|Irganox L 05|N-(1-Naphthyl)-N-phenylamine|N-(1-Naphthyl)aniline|N-1-naftilanilina|N-1-Naphthylanilin|N-1-naphthylaniline|N-1-Naphtylaniline|N-Fenyl-1-aminonaftalen|N-Phenyl-1-aminonaphthalene|N-Phenyl-1-naphthalenamine|N-PHENYL-1-NAPHTHYLAMIN|N-PHENYL-1-NAPTHYLAMINE|n-Phenyl-alpha-naphthylamine|N-PHENYL-a-NAPHTHYLAMINE|N-Phenyl-a-napthylamine|NAPHTHYLAMINE, N-PHENYL-|Naugard PANA|Neozone A|Nocrac PA|Nonox A|Nonox AN|NSC 2622|Phenyl-1-naphthylamine|PHENYLNAPHTHYLAMINE|UNII-5I112077IN|Vulkanox PAN|a-Naphthylphenylamine|219315-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025892 https://doi.org/10.22427/NTP-DATA-DTXSID2025892
ERPathway2016 ERPathway2016_295 N-Phenyl-1-naphthylamine 90-30-2 DTXSID2025892 ER Pathway Model, Antagonist Model Score 0 Unitless N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1 N-Phenyl-1-naphthylamine 90-30-2|N-Phenyl-1-naphthylamine|1-(N-phenylamino)-naphthalene|1-(N-Phenylamino)naphthalene|1-(Phenylamino)naphthalene|1-Anilinonaphthalene|1-Naphthalenamine, N-phenyl-|1-Naphthylamine, N-phenyl-|1-Naphthylphenylamine|4-12-00-03015|Aceto PAN|alpha-Naphthylphenylamine|Antigene PA|Antigene PAN|Antioxidant A|Antioxidant PAN|BRN 2211174|EINECS 201-983-0|Fenyl-alpha-naftylamin|Irganox L 05|N-(1-Naphthyl)-N-phenylamine|N-(1-Naphthyl)aniline|N-1-naftilanilina|N-1-Naphthylanilin|N-1-naphthylaniline|N-1-Naphtylaniline|N-Fenyl-1-aminonaftalen|N-Phenyl-1-aminonaphthalene|N-Phenyl-1-naphthalenamine|N-PHENYL-1-NAPHTHYLAMIN|N-PHENYL-1-NAPTHYLAMINE|n-Phenyl-alpha-naphthylamine|N-PHENYL-a-NAPHTHYLAMINE|N-Phenyl-a-napthylamine|NAPHTHYLAMINE, N-PHENYL-|Naugard PANA|Neozone A|Nocrac PA|Nonox A|Nonox AN|NSC 2622|Phenyl-1-naphthylamine|PHENYLNAPHTHYLAMINE|UNII-5I112077IN|Vulkanox PAN|a-Naphthylphenylamine|219315-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025892 https://doi.org/10.22427/NTP-DATA-DTXSID2025892
ERPathway2016 ERPathway2016_295 N-Phenyl-1-naphthylamine 90-30-2 DTXSID2025892 ER Pathway Model, Agonist Call Inactive Unitless N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1 N-Phenyl-1-naphthylamine 90-30-2|N-Phenyl-1-naphthylamine|1-(N-phenylamino)-naphthalene|1-(N-Phenylamino)naphthalene|1-(Phenylamino)naphthalene|1-Anilinonaphthalene|1-Naphthalenamine, N-phenyl-|1-Naphthylamine, N-phenyl-|1-Naphthylphenylamine|4-12-00-03015|Aceto PAN|alpha-Naphthylphenylamine|Antigene PA|Antigene PAN|Antioxidant A|Antioxidant PAN|BRN 2211174|EINECS 201-983-0|Fenyl-alpha-naftylamin|Irganox L 05|N-(1-Naphthyl)-N-phenylamine|N-(1-Naphthyl)aniline|N-1-naftilanilina|N-1-Naphthylanilin|N-1-naphthylaniline|N-1-Naphtylaniline|N-Fenyl-1-aminonaftalen|N-Phenyl-1-aminonaphthalene|N-Phenyl-1-naphthalenamine|N-PHENYL-1-NAPHTHYLAMIN|N-PHENYL-1-NAPTHYLAMINE|n-Phenyl-alpha-naphthylamine|N-PHENYL-a-NAPHTHYLAMINE|N-Phenyl-a-napthylamine|NAPHTHYLAMINE, N-PHENYL-|Naugard PANA|Neozone A|Nocrac PA|Nonox A|Nonox AN|NSC 2622|Phenyl-1-naphthylamine|PHENYLNAPHTHYLAMINE|UNII-5I112077IN|Vulkanox PAN|a-Naphthylphenylamine|219315-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025892 https://doi.org/10.22427/NTP-DATA-DTXSID2025892
ERPathway2016 ERPathway2016_295 N-Phenyl-1-naphthylamine 90-30-2 DTXSID2025892 ER Pathway Model, Antagonist Call Active Unitless N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1 N-Phenyl-1-naphthylamine 90-30-2|N-Phenyl-1-naphthylamine|1-(N-phenylamino)-naphthalene|1-(N-Phenylamino)naphthalene|1-(Phenylamino)naphthalene|1-Anilinonaphthalene|1-Naphthalenamine, N-phenyl-|1-Naphthylamine, N-phenyl-|1-Naphthylphenylamine|4-12-00-03015|Aceto PAN|alpha-Naphthylphenylamine|Antigene PA|Antigene PAN|Antioxidant A|Antioxidant PAN|BRN 2211174|EINECS 201-983-0|Fenyl-alpha-naftylamin|Irganox L 05|N-(1-Naphthyl)-N-phenylamine|N-(1-Naphthyl)aniline|N-1-naftilanilina|N-1-Naphthylanilin|N-1-naphthylaniline|N-1-Naphtylaniline|N-Fenyl-1-aminonaftalen|N-Phenyl-1-aminonaphthalene|N-Phenyl-1-naphthalenamine|N-PHENYL-1-NAPHTHYLAMIN|N-PHENYL-1-NAPTHYLAMINE|n-Phenyl-alpha-naphthylamine|N-PHENYL-a-NAPHTHYLAMINE|N-Phenyl-a-napthylamine|NAPHTHYLAMINE, N-PHENYL-|Naugard PANA|Neozone A|Nocrac PA|Nonox A|Nonox AN|NSC 2622|Phenyl-1-naphthylamine|PHENYLNAPHTHYLAMINE|UNII-5I112077IN|Vulkanox PAN|a-Naphthylphenylamine|219315-45-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2025892 https://doi.org/10.22427/NTP-DATA-DTXSID2025892
ARPathway2016 ARPathway2016_767 o-(Chloroacetylcarbamoyl)fumagillol 129298-91-5 DTXSID0041141 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)NC(=O)CCl o-(Chloroacetylcarbamoyl)fumagillol 129298-91-5|o-(Chloroacetylcarbamoyl)fumagillol|Agm 1470|AGM-1470|DRG-0148|NSC 642492|O-chloroacetylcarbamoylfumagillol|TNP 470|TNP_470 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041141
ARPathway2016 ARPathway2016_767 o-(Chloroacetylcarbamoyl)fumagillol 129298-91-5 DTXSID0041141 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)NC(=O)CCl o-(Chloroacetylcarbamoyl)fumagillol 129298-91-5|o-(Chloroacetylcarbamoyl)fumagillol|Agm 1470|AGM-1470|DRG-0148|NSC 642492|O-chloroacetylcarbamoylfumagillol|TNP 470|TNP_470 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041141
ARPathway2016 ARPathway2016_767 o-(Chloroacetylcarbamoyl)fumagillol 129298-91-5 DTXSID0041141 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)NC(=O)CCl o-(Chloroacetylcarbamoyl)fumagillol 129298-91-5|o-(Chloroacetylcarbamoyl)fumagillol|Agm 1470|AGM-1470|DRG-0148|NSC 642492|O-chloroacetylcarbamoylfumagillol|TNP 470|TNP_470 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041141
ARPathway2016 ARPathway2016_767 o-(Chloroacetylcarbamoyl)fumagillol 129298-91-5 DTXSID0041141 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)NC(=O)CCl o-(Chloroacetylcarbamoyl)fumagillol 129298-91-5|o-(Chloroacetylcarbamoyl)fumagillol|Agm 1470|AGM-1470|DRG-0148|NSC 642492|O-chloroacetylcarbamoylfumagillol|TNP 470|TNP_470 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0041141
ARPathway2016 ARPathway2016_279 o,p'-DDT 789-02-6 DTXSID6022345 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 39.5239748556148 uM ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl o,p'-DDT 789-02-6|o,p'-DDT|(+/-)-1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|(+/-)-o,p'-DDT|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2,2-trichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|1-Chloro-2-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene|1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane|2-o-Chlorophenyl-2-p-chlorophenyl-1,1,1-trichloroethane|2,2-Bis(o,p-chlorophenyl)-1,1,1-trichloroethane|2,2,2,o,p'-Pentachlorethylidenbisbenzol|2,2,2,o,p'-pentachloroethylidenebisbenzene|2,2,2,o,p'-pentacloroetilidenbisbenceno|2,4'-DDT|2,4'-Dichlorodiphenyltrichloroethane|Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]-|BRN 1984770|EINECS 212-332-5|Ethane, 1,1,1-trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-|NSC 33446|NSC 57644|o,p'-Chlorophenothane|o,p'-Dichlorodiphenyltrichloroethane|ortho,para'-DDT|58633-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022345
ARPathway2016 ARPathway2016_279 o,p'-DDT 789-02-6 DTXSID6022345 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 28.1388052049765 uM ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl o,p'-DDT 789-02-6|o,p'-DDT|(+/-)-1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|(+/-)-o,p'-DDT|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2,2-trichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|1-Chloro-2-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene|1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane|2-o-Chlorophenyl-2-p-chlorophenyl-1,1,1-trichloroethane|2,2-Bis(o,p-chlorophenyl)-1,1,1-trichloroethane|2,2,2,o,p'-Pentachlorethylidenbisbenzol|2,2,2,o,p'-pentachloroethylidenebisbenzene|2,2,2,o,p'-pentacloroetilidenbisbenceno|2,4'-DDT|2,4'-Dichlorodiphenyltrichloroethane|Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]-|BRN 1984770|EINECS 212-332-5|Ethane, 1,1,1-trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-|NSC 33446|NSC 57644|o,p'-Chlorophenothane|o,p'-Dichlorodiphenyltrichloroethane|ortho,para'-DDT|58633-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022345
ARPathway2016 ARPathway2016_279 o,p'-DDT 789-02-6 DTXSID6022345 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.152 Unitless ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl o,p'-DDT 789-02-6|o,p'-DDT|(+/-)-1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|(+/-)-o,p'-DDT|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2,2-trichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|1-Chloro-2-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene|1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane|2-o-Chlorophenyl-2-p-chlorophenyl-1,1,1-trichloroethane|2,2-Bis(o,p-chlorophenyl)-1,1,1-trichloroethane|2,2,2,o,p'-Pentachlorethylidenbisbenzol|2,2,2,o,p'-pentachloroethylidenebisbenzene|2,2,2,o,p'-pentacloroetilidenbisbenceno|2,4'-DDT|2,4'-Dichlorodiphenyltrichloroethane|Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]-|BRN 1984770|EINECS 212-332-5|Ethane, 1,1,1-trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-|NSC 33446|NSC 57644|o,p'-Chlorophenothane|o,p'-Dichlorodiphenyltrichloroethane|ortho,para'-DDT|58633-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022345
ARPathway2016 ARPathway2016_279 o,p'-DDT 789-02-6 DTXSID6022345 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl o,p'-DDT 789-02-6|o,p'-DDT|(+/-)-1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|(+/-)-o,p'-DDT|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2,2-trichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|1-Chloro-2-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene|1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane|2-o-Chlorophenyl-2-p-chlorophenyl-1,1,1-trichloroethane|2,2-Bis(o,p-chlorophenyl)-1,1,1-trichloroethane|2,2,2,o,p'-Pentachlorethylidenbisbenzol|2,2,2,o,p'-pentachloroethylidenebisbenzene|2,2,2,o,p'-pentacloroetilidenbisbenceno|2,4'-DDT|2,4'-Dichlorodiphenyltrichloroethane|Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]-|BRN 1984770|EINECS 212-332-5|Ethane, 1,1,1-trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-|NSC 33446|NSC 57644|o,p'-Chlorophenothane|o,p'-Dichlorodiphenyltrichloroethane|ortho,para'-DDT|58633-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022345
ARPathway2016 ARPathway2016_279 o,p'-DDT 789-02-6 DTXSID6022345 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl o,p'-DDT 789-02-6|o,p'-DDT|(+/-)-1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|(+/-)-o,p'-DDT|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2,2-trichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|1-Chloro-2-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene|1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane|2-o-Chlorophenyl-2-p-chlorophenyl-1,1,1-trichloroethane|2,2-Bis(o,p-chlorophenyl)-1,1,1-trichloroethane|2,2,2,o,p'-Pentachlorethylidenbisbenzol|2,2,2,o,p'-pentachloroethylidenebisbenzene|2,2,2,o,p'-pentacloroetilidenbisbenceno|2,4'-DDT|2,4'-Dichlorodiphenyltrichloroethane|Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]-|BRN 1984770|EINECS 212-332-5|Ethane, 1,1,1-trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-|NSC 33446|NSC 57644|o,p'-Chlorophenothane|o,p'-Dichlorodiphenyltrichloroethane|ortho,para'-DDT|58633-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022345
ARPathway2016 ARPathway2016_279 o,p'-DDT 789-02-6 DTXSID6022345 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl o,p'-DDT 789-02-6|o,p'-DDT|(+/-)-1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|(+/-)-o,p'-DDT|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2,2-trichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|1-Chloro-2-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene|1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane|2-o-Chlorophenyl-2-p-chlorophenyl-1,1,1-trichloroethane|2,2-Bis(o,p-chlorophenyl)-1,1,1-trichloroethane|2,2,2,o,p'-Pentachlorethylidenbisbenzol|2,2,2,o,p'-pentachloroethylidenebisbenzene|2,2,2,o,p'-pentacloroetilidenbisbenceno|2,4'-DDT|2,4'-Dichlorodiphenyltrichloroethane|Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]-|BRN 1984770|EINECS 212-332-5|Ethane, 1,1,1-trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-|NSC 33446|NSC 57644|o,p'-Chlorophenothane|o,p'-Dichlorodiphenyltrichloroethane|ortho,para'-DDT|58633-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022345
ERPathway2016 ERPathway2016_172 o,p'-DDT 789-02-6 DTXSID6022345 Agonist ER Pathway Model, Antagonist AC50 2.36067911490721 uM ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl o,p'-DDT 789-02-6|o,p'-DDT|(+/-)-1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|(+/-)-o,p'-DDT|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2,2-trichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|1-Chloro-2-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene|1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane|2-o-Chlorophenyl-2-p-chlorophenyl-1,1,1-trichloroethane|2,2-Bis(o,p-chlorophenyl)-1,1,1-trichloroethane|2,2,2,o,p'-Pentachlorethylidenbisbenzol|2,2,2,o,p'-pentachloroethylidenebisbenzene|2,2,2,o,p'-pentacloroetilidenbisbenceno|2,4'-DDT|2,4'-Dichlorodiphenyltrichloroethane|Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]-|BRN 1984770|EINECS 212-332-5|Ethane, 1,1,1-trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-|NSC 33446|NSC 57644|o,p'-Chlorophenothane|o,p'-Dichlorodiphenyltrichloroethane|ortho,para'-DDT|58633-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022345
ERPathway2016 ERPathway2016_172 o,p'-DDT 789-02-6 DTXSID6022345 Agonist ER Pathway Model, Antagonist ACC 1.28980468851387 uM ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl o,p'-DDT 789-02-6|o,p'-DDT|(+/-)-1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|(+/-)-o,p'-DDT|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2,2-trichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|1-Chloro-2-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene|1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane|2-o-Chlorophenyl-2-p-chlorophenyl-1,1,1-trichloroethane|2,2-Bis(o,p-chlorophenyl)-1,1,1-trichloroethane|2,2,2,o,p'-Pentachlorethylidenbisbenzol|2,2,2,o,p'-pentachloroethylidenebisbenzene|2,2,2,o,p'-pentacloroetilidenbisbenceno|2,4'-DDT|2,4'-Dichlorodiphenyltrichloroethane|Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]-|BRN 1984770|EINECS 212-332-5|Ethane, 1,1,1-trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-|NSC 33446|NSC 57644|o,p'-Chlorophenothane|o,p'-Dichlorodiphenyltrichloroethane|ortho,para'-DDT|58633-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022345
ERPathway2016 ERPathway2016_172 o,p'-DDT 789-02-6 DTXSID6022345 Agonist ER Pathway Model, Agonist Model Score 0.385 Unitless ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl o,p'-DDT 789-02-6|o,p'-DDT|(+/-)-1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|(+/-)-o,p'-DDT|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2,2-trichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|1-Chloro-2-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene|1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane|2-o-Chlorophenyl-2-p-chlorophenyl-1,1,1-trichloroethane|2,2-Bis(o,p-chlorophenyl)-1,1,1-trichloroethane|2,2,2,o,p'-Pentachlorethylidenbisbenzol|2,2,2,o,p'-pentachloroethylidenebisbenzene|2,2,2,o,p'-pentacloroetilidenbisbenceno|2,4'-DDT|2,4'-Dichlorodiphenyltrichloroethane|Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]-|BRN 1984770|EINECS 212-332-5|Ethane, 1,1,1-trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-|NSC 33446|NSC 57644|o,p'-Chlorophenothane|o,p'-Dichlorodiphenyltrichloroethane|ortho,para'-DDT|58633-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022345
ERPathway2016 ERPathway2016_172 o,p'-DDT 789-02-6 DTXSID6022345 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl o,p'-DDT 789-02-6|o,p'-DDT|(+/-)-1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|(+/-)-o,p'-DDT|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2,2-trichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|1-Chloro-2-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene|1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane|2-o-Chlorophenyl-2-p-chlorophenyl-1,1,1-trichloroethane|2,2-Bis(o,p-chlorophenyl)-1,1,1-trichloroethane|2,2,2,o,p'-Pentachlorethylidenbisbenzol|2,2,2,o,p'-pentachloroethylidenebisbenzene|2,2,2,o,p'-pentacloroetilidenbisbenceno|2,4'-DDT|2,4'-Dichlorodiphenyltrichloroethane|Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]-|BRN 1984770|EINECS 212-332-5|Ethane, 1,1,1-trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-|NSC 33446|NSC 57644|o,p'-Chlorophenothane|o,p'-Dichlorodiphenyltrichloroethane|ortho,para'-DDT|58633-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022345
ERPathway2016 ERPathway2016_172 o,p'-DDT 789-02-6 DTXSID6022345 Agonist ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl o,p'-DDT 789-02-6|o,p'-DDT|(+/-)-1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|(+/-)-o,p'-DDT|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2,2-trichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|1-Chloro-2-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene|1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane|2-o-Chlorophenyl-2-p-chlorophenyl-1,1,1-trichloroethane|2,2-Bis(o,p-chlorophenyl)-1,1,1-trichloroethane|2,2,2,o,p'-Pentachlorethylidenbisbenzol|2,2,2,o,p'-pentachloroethylidenebisbenzene|2,2,2,o,p'-pentacloroetilidenbisbenceno|2,4'-DDT|2,4'-Dichlorodiphenyltrichloroethane|Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]-|BRN 1984770|EINECS 212-332-5|Ethane, 1,1,1-trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-|NSC 33446|NSC 57644|o,p'-Chlorophenothane|o,p'-Dichlorodiphenyltrichloroethane|ortho,para'-DDT|58633-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022345
ERPathway2016 ERPathway2016_172 o,p'-DDT 789-02-6 DTXSID6022345 Agonist ER Pathway Model, Antagonist Call Active Unitless ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl o,p'-DDT 789-02-6|o,p'-DDT|(+/-)-1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|(+/-)-o,p'-DDT|1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2,2-trichloroethane|1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane|1-Chloro-2-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene|1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane|2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane|2-o-Chlorophenyl-2-p-chlorophenyl-1,1,1-trichloroethane|2,2-Bis(o,p-chlorophenyl)-1,1,1-trichloroethane|2,2,2,o,p'-Pentachlorethylidenbisbenzol|2,2,2,o,p'-pentachloroethylidenebisbenzene|2,2,2,o,p'-pentacloroetilidenbisbenceno|2,4'-DDT|2,4'-Dichlorodiphenyltrichloroethane|Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]-|BRN 1984770|EINECS 212-332-5|Ethane, 1,1,1-trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-|NSC 33446|NSC 57644|o,p'-Chlorophenothane|o,p'-Dichlorodiphenyltrichloroethane|ortho,para'-DDT|58633-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022345
ARPathway2016 ARPathway2016_323 o-Aminoazotoluene 97-56-3 DTXSID1020069 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 37.35973924 uM CC1=CC=CC=C1N=NC1=CC(C)=C(N)C=C1 o-Aminoazotoluene 97-56-3|o-Aminoazotoluene|2-Amino-5-azotoluene|2-Aminoazotoluene|2-Methyl-4-((2-methylphenyl)azo)benzenamine|2-Methyl-4-[(2-methylphenyl)diazenyl]amine|2-Methyl-4-[(o-tolyl)azo]aniline|2-Methyl-4-[2-(2-methylphenyl)diazenyl]benzenamine|2,3'-Dimethyl-4'-aminoazobenzene|2',3-Dimethyl-4-aminoazobenzene|4-(o-Tolylazo)-o-toluidine|4-16-00-00528|4-Amino-2',3-dimethylazobenzene|4'-Amino-2:3'-azotoluene|Benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-|Benzenamine, 2-methyl-4-[2-(2-methylphenyl)diazenyl]-|Brasilazina Oil Yellow R|BRN 0745567|C.I. 11160|C.I. 11160B|CI Solvent Yellow 3|Fast Garnet GBC Base|Fast Oil Yellow|Fast Yellow AT|Fat Yellow B|Hidaco Oil Yellow|NSC 1797|NSC 26821|o-Amidoazotoluol|o-Aminoazotoluene|o-Aminoazotolueno|o-Aminoazotoluol|o-AT|o-Tolueneazo-o-toluidine|o-Toluidine, 4-o-tolylazo-|o-Toluol-azo-o-toluidin|OAAT|Oil Yellow 21|Oil Yellow 2681|Oil Yellow 2R|Oil Yellow AT|Oil Yellow C|Oil Yellow I|Organol Yellow 2T|ortho-Tolueneazo-ortho-toluidine|ortho-Toluol-azo-ortho-toluidin|Orthoaminoasotoluene|Orthoaminoasotol|28676-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020069 https://doi.org/10.22427/NTP-DATA-DTXSID1020069
ARPathway2016 ARPathway2016_323 o-Aminoazotoluene 97-56-3 DTXSID1020069 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 35.42799285 uM CC1=CC=CC=C1N=NC1=CC(C)=C(N)C=C1 o-Aminoazotoluene 97-56-3|o-Aminoazotoluene|2-Amino-5-azotoluene|2-Aminoazotoluene|2-Methyl-4-((2-methylphenyl)azo)benzenamine|2-Methyl-4-[(2-methylphenyl)diazenyl]amine|2-Methyl-4-[(o-tolyl)azo]aniline|2-Methyl-4-[2-(2-methylphenyl)diazenyl]benzenamine|2,3'-Dimethyl-4'-aminoazobenzene|2',3-Dimethyl-4-aminoazobenzene|4-(o-Tolylazo)-o-toluidine|4-16-00-00528|4-Amino-2',3-dimethylazobenzene|4'-Amino-2:3'-azotoluene|Benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-|Benzenamine, 2-methyl-4-[2-(2-methylphenyl)diazenyl]-|Brasilazina Oil Yellow R|BRN 0745567|C.I. 11160|C.I. 11160B|CI Solvent Yellow 3|Fast Garnet GBC Base|Fast Oil Yellow|Fast Yellow AT|Fat Yellow B|Hidaco Oil Yellow|NSC 1797|NSC 26821|o-Amidoazotoluol|o-Aminoazotoluene|o-Aminoazotolueno|o-Aminoazotoluol|o-AT|o-Tolueneazo-o-toluidine|o-Toluidine, 4-o-tolylazo-|o-Toluol-azo-o-toluidin|OAAT|Oil Yellow 21|Oil Yellow 2681|Oil Yellow 2R|Oil Yellow AT|Oil Yellow C|Oil Yellow I|Organol Yellow 2T|ortho-Tolueneazo-ortho-toluidine|ortho-Toluol-azo-ortho-toluidin|Orthoaminoasotoluene|Orthoaminoasotol|28676-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020069 https://doi.org/10.22427/NTP-DATA-DTXSID1020069
ARPathway2016 ARPathway2016_323 o-Aminoazotoluene 97-56-3 DTXSID1020069 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.17 Unitless CC1=CC=CC=C1N=NC1=CC(C)=C(N)C=C1 o-Aminoazotoluene 97-56-3|o-Aminoazotoluene|2-Amino-5-azotoluene|2-Aminoazotoluene|2-Methyl-4-((2-methylphenyl)azo)benzenamine|2-Methyl-4-[(2-methylphenyl)diazenyl]amine|2-Methyl-4-[(o-tolyl)azo]aniline|2-Methyl-4-[2-(2-methylphenyl)diazenyl]benzenamine|2,3'-Dimethyl-4'-aminoazobenzene|2',3-Dimethyl-4-aminoazobenzene|4-(o-Tolylazo)-o-toluidine|4-16-00-00528|4-Amino-2',3-dimethylazobenzene|4'-Amino-2:3'-azotoluene|Benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-|Benzenamine, 2-methyl-4-[2-(2-methylphenyl)diazenyl]-|Brasilazina Oil Yellow R|BRN 0745567|C.I. 11160|C.I. 11160B|CI Solvent Yellow 3|Fast Garnet GBC Base|Fast Oil Yellow|Fast Yellow AT|Fat Yellow B|Hidaco Oil Yellow|NSC 1797|NSC 26821|o-Amidoazotoluol|o-Aminoazotoluene|o-Aminoazotolueno|o-Aminoazotoluol|o-AT|o-Tolueneazo-o-toluidine|o-Toluidine, 4-o-tolylazo-|o-Toluol-azo-o-toluidin|OAAT|Oil Yellow 21|Oil Yellow 2681|Oil Yellow 2R|Oil Yellow AT|Oil Yellow C|Oil Yellow I|Organol Yellow 2T|ortho-Tolueneazo-ortho-toluidine|ortho-Toluol-azo-ortho-toluidin|Orthoaminoasotoluene|Orthoaminoasotol|28676-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020069 https://doi.org/10.22427/NTP-DATA-DTXSID1020069
ARPathway2016 ARPathway2016_323 o-Aminoazotoluene 97-56-3 DTXSID1020069 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=CC=C1N=NC1=CC(C)=C(N)C=C1 o-Aminoazotoluene 97-56-3|o-Aminoazotoluene|2-Amino-5-azotoluene|2-Aminoazotoluene|2-Methyl-4-((2-methylphenyl)azo)benzenamine|2-Methyl-4-[(2-methylphenyl)diazenyl]amine|2-Methyl-4-[(o-tolyl)azo]aniline|2-Methyl-4-[2-(2-methylphenyl)diazenyl]benzenamine|2,3'-Dimethyl-4'-aminoazobenzene|2',3-Dimethyl-4-aminoazobenzene|4-(o-Tolylazo)-o-toluidine|4-16-00-00528|4-Amino-2',3-dimethylazobenzene|4'-Amino-2:3'-azotoluene|Benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-|Benzenamine, 2-methyl-4-[2-(2-methylphenyl)diazenyl]-|Brasilazina Oil Yellow R|BRN 0745567|C.I. 11160|C.I. 11160B|CI Solvent Yellow 3|Fast Garnet GBC Base|Fast Oil Yellow|Fast Yellow AT|Fat Yellow B|Hidaco Oil Yellow|NSC 1797|NSC 26821|o-Amidoazotoluol|o-Aminoazotoluene|o-Aminoazotolueno|o-Aminoazotoluol|o-AT|o-Tolueneazo-o-toluidine|o-Toluidine, 4-o-tolylazo-|o-Toluol-azo-o-toluidin|OAAT|Oil Yellow 21|Oil Yellow 2681|Oil Yellow 2R|Oil Yellow AT|Oil Yellow C|Oil Yellow I|Organol Yellow 2T|ortho-Tolueneazo-ortho-toluidine|ortho-Toluol-azo-ortho-toluidin|Orthoaminoasotoluene|Orthoaminoasotol|28676-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020069 https://doi.org/10.22427/NTP-DATA-DTXSID1020069
ARPathway2016 ARPathway2016_323 o-Aminoazotoluene 97-56-3 DTXSID1020069 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC1=CC=CC=C1N=NC1=CC(C)=C(N)C=C1 o-Aminoazotoluene 97-56-3|o-Aminoazotoluene|2-Amino-5-azotoluene|2-Aminoazotoluene|2-Methyl-4-((2-methylphenyl)azo)benzenamine|2-Methyl-4-[(2-methylphenyl)diazenyl]amine|2-Methyl-4-[(o-tolyl)azo]aniline|2-Methyl-4-[2-(2-methylphenyl)diazenyl]benzenamine|2,3'-Dimethyl-4'-aminoazobenzene|2',3-Dimethyl-4-aminoazobenzene|4-(o-Tolylazo)-o-toluidine|4-16-00-00528|4-Amino-2',3-dimethylazobenzene|4'-Amino-2:3'-azotoluene|Benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-|Benzenamine, 2-methyl-4-[2-(2-methylphenyl)diazenyl]-|Brasilazina Oil Yellow R|BRN 0745567|C.I. 11160|C.I. 11160B|CI Solvent Yellow 3|Fast Garnet GBC Base|Fast Oil Yellow|Fast Yellow AT|Fat Yellow B|Hidaco Oil Yellow|NSC 1797|NSC 26821|o-Amidoazotoluol|o-Aminoazotoluene|o-Aminoazotolueno|o-Aminoazotoluol|o-AT|o-Tolueneazo-o-toluidine|o-Toluidine, 4-o-tolylazo-|o-Toluol-azo-o-toluidin|OAAT|Oil Yellow 21|Oil Yellow 2681|Oil Yellow 2R|Oil Yellow AT|Oil Yellow C|Oil Yellow I|Organol Yellow 2T|ortho-Tolueneazo-ortho-toluidine|ortho-Toluol-azo-ortho-toluidin|Orthoaminoasotoluene|Orthoaminoasotol|28676-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020069 https://doi.org/10.22427/NTP-DATA-DTXSID1020069
ARPathway2016 ARPathway2016_323 o-Aminoazotoluene 97-56-3 DTXSID1020069 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=CC=C1N=NC1=CC(C)=C(N)C=C1 o-Aminoazotoluene 97-56-3|o-Aminoazotoluene|2-Amino-5-azotoluene|2-Aminoazotoluene|2-Methyl-4-((2-methylphenyl)azo)benzenamine|2-Methyl-4-[(2-methylphenyl)diazenyl]amine|2-Methyl-4-[(o-tolyl)azo]aniline|2-Methyl-4-[2-(2-methylphenyl)diazenyl]benzenamine|2,3'-Dimethyl-4'-aminoazobenzene|2',3-Dimethyl-4-aminoazobenzene|4-(o-Tolylazo)-o-toluidine|4-16-00-00528|4-Amino-2',3-dimethylazobenzene|4'-Amino-2:3'-azotoluene|Benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-|Benzenamine, 2-methyl-4-[2-(2-methylphenyl)diazenyl]-|Brasilazina Oil Yellow R|BRN 0745567|C.I. 11160|C.I. 11160B|CI Solvent Yellow 3|Fast Garnet GBC Base|Fast Oil Yellow|Fast Yellow AT|Fat Yellow B|Hidaco Oil Yellow|NSC 1797|NSC 26821|o-Amidoazotoluol|o-Aminoazotoluene|o-Aminoazotolueno|o-Aminoazotoluol|o-AT|o-Tolueneazo-o-toluidine|o-Toluidine, 4-o-tolylazo-|o-Toluol-azo-o-toluidin|OAAT|Oil Yellow 21|Oil Yellow 2681|Oil Yellow 2R|Oil Yellow AT|Oil Yellow C|Oil Yellow I|Organol Yellow 2T|ortho-Tolueneazo-ortho-toluidine|ortho-Toluol-azo-ortho-toluidin|Orthoaminoasotoluene|Orthoaminoasotol|28676-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020069 https://doi.org/10.22427/NTP-DATA-DTXSID1020069
ERPathway2016 ERPathway2016_218 o-Aminoazotoluene 97-56-3 DTXSID1020069 Agonist ER Pathway Model, Antagonist AC50 9.42071054776388 uM CC1=CC=CC=C1N=NC1=CC(C)=C(N)C=C1 o-Aminoazotoluene 97-56-3|o-Aminoazotoluene|2-Amino-5-azotoluene|2-Aminoazotoluene|2-Methyl-4-((2-methylphenyl)azo)benzenamine|2-Methyl-4-[(2-methylphenyl)diazenyl]amine|2-Methyl-4-[(o-tolyl)azo]aniline|2-Methyl-4-[2-(2-methylphenyl)diazenyl]benzenamine|2,3'-Dimethyl-4'-aminoazobenzene|2',3-Dimethyl-4-aminoazobenzene|4-(o-Tolylazo)-o-toluidine|4-16-00-00528|4-Amino-2',3-dimethylazobenzene|4'-Amino-2:3'-azotoluene|Benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-|Benzenamine, 2-methyl-4-[2-(2-methylphenyl)diazenyl]-|Brasilazina Oil Yellow R|BRN 0745567|C.I. 11160|C.I. 11160B|CI Solvent Yellow 3|Fast Garnet GBC Base|Fast Oil Yellow|Fast Yellow AT|Fat Yellow B|Hidaco Oil Yellow|NSC 1797|NSC 26821|o-Amidoazotoluol|o-Aminoazotoluene|o-Aminoazotolueno|o-Aminoazotoluol|o-AT|o-Tolueneazo-o-toluidine|o-Toluidine, 4-o-tolylazo-|o-Toluol-azo-o-toluidin|OAAT|Oil Yellow 21|Oil Yellow 2681|Oil Yellow 2R|Oil Yellow AT|Oil Yellow C|Oil Yellow I|Organol Yellow 2T|ortho-Tolueneazo-ortho-toluidine|ortho-Toluol-azo-ortho-toluidin|Orthoaminoasotoluene|Orthoaminoasotol|28676-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020069 https://doi.org/10.22427/NTP-DATA-DTXSID1020069
ERPathway2016 ERPathway2016_218 o-Aminoazotoluene 97-56-3 DTXSID1020069 Agonist ER Pathway Model, Antagonist ACC 7.69163031107395 uM CC1=CC=CC=C1N=NC1=CC(C)=C(N)C=C1 o-Aminoazotoluene 97-56-3|o-Aminoazotoluene|2-Amino-5-azotoluene|2-Aminoazotoluene|2-Methyl-4-((2-methylphenyl)azo)benzenamine|2-Methyl-4-[(2-methylphenyl)diazenyl]amine|2-Methyl-4-[(o-tolyl)azo]aniline|2-Methyl-4-[2-(2-methylphenyl)diazenyl]benzenamine|2,3'-Dimethyl-4'-aminoazobenzene|2',3-Dimethyl-4-aminoazobenzene|4-(o-Tolylazo)-o-toluidine|4-16-00-00528|4-Amino-2',3-dimethylazobenzene|4'-Amino-2:3'-azotoluene|Benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-|Benzenamine, 2-methyl-4-[2-(2-methylphenyl)diazenyl]-|Brasilazina Oil Yellow R|BRN 0745567|C.I. 11160|C.I. 11160B|CI Solvent Yellow 3|Fast Garnet GBC Base|Fast Oil Yellow|Fast Yellow AT|Fat Yellow B|Hidaco Oil Yellow|NSC 1797|NSC 26821|o-Amidoazotoluol|o-Aminoazotoluene|o-Aminoazotolueno|o-Aminoazotoluol|o-AT|o-Tolueneazo-o-toluidine|o-Toluidine, 4-o-tolylazo-|o-Toluol-azo-o-toluidin|OAAT|Oil Yellow 21|Oil Yellow 2681|Oil Yellow 2R|Oil Yellow AT|Oil Yellow C|Oil Yellow I|Organol Yellow 2T|ortho-Tolueneazo-ortho-toluidine|ortho-Toluol-azo-ortho-toluidin|Orthoaminoasotoluene|Orthoaminoasotol|28676-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020069 https://doi.org/10.22427/NTP-DATA-DTXSID1020069
ERPathway2016 ERPathway2016_218 o-Aminoazotoluene 97-56-3 DTXSID1020069 Agonist ER Pathway Model, Agonist Model Score 0.142 Unitless CC1=CC=CC=C1N=NC1=CC(C)=C(N)C=C1 o-Aminoazotoluene 97-56-3|o-Aminoazotoluene|2-Amino-5-azotoluene|2-Aminoazotoluene|2-Methyl-4-((2-methylphenyl)azo)benzenamine|2-Methyl-4-[(2-methylphenyl)diazenyl]amine|2-Methyl-4-[(o-tolyl)azo]aniline|2-Methyl-4-[2-(2-methylphenyl)diazenyl]benzenamine|2,3'-Dimethyl-4'-aminoazobenzene|2',3-Dimethyl-4-aminoazobenzene|4-(o-Tolylazo)-o-toluidine|4-16-00-00528|4-Amino-2',3-dimethylazobenzene|4'-Amino-2:3'-azotoluene|Benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-|Benzenamine, 2-methyl-4-[2-(2-methylphenyl)diazenyl]-|Brasilazina Oil Yellow R|BRN 0745567|C.I. 11160|C.I. 11160B|CI Solvent Yellow 3|Fast Garnet GBC Base|Fast Oil Yellow|Fast Yellow AT|Fat Yellow B|Hidaco Oil Yellow|NSC 1797|NSC 26821|o-Amidoazotoluol|o-Aminoazotoluene|o-Aminoazotolueno|o-Aminoazotoluol|o-AT|o-Tolueneazo-o-toluidine|o-Toluidine, 4-o-tolylazo-|o-Toluol-azo-o-toluidin|OAAT|Oil Yellow 21|Oil Yellow 2681|Oil Yellow 2R|Oil Yellow AT|Oil Yellow C|Oil Yellow I|Organol Yellow 2T|ortho-Tolueneazo-ortho-toluidine|ortho-Toluol-azo-ortho-toluidin|Orthoaminoasotoluene|Orthoaminoasotol|28676-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020069 https://doi.org/10.22427/NTP-DATA-DTXSID1020069
ERPathway2016 ERPathway2016_218 o-Aminoazotoluene 97-56-3 DTXSID1020069 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=CC=C1N=NC1=CC(C)=C(N)C=C1 o-Aminoazotoluene 97-56-3|o-Aminoazotoluene|2-Amino-5-azotoluene|2-Aminoazotoluene|2-Methyl-4-((2-methylphenyl)azo)benzenamine|2-Methyl-4-[(2-methylphenyl)diazenyl]amine|2-Methyl-4-[(o-tolyl)azo]aniline|2-Methyl-4-[2-(2-methylphenyl)diazenyl]benzenamine|2,3'-Dimethyl-4'-aminoazobenzene|2',3-Dimethyl-4-aminoazobenzene|4-(o-Tolylazo)-o-toluidine|4-16-00-00528|4-Amino-2',3-dimethylazobenzene|4'-Amino-2:3'-azotoluene|Benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-|Benzenamine, 2-methyl-4-[2-(2-methylphenyl)diazenyl]-|Brasilazina Oil Yellow R|BRN 0745567|C.I. 11160|C.I. 11160B|CI Solvent Yellow 3|Fast Garnet GBC Base|Fast Oil Yellow|Fast Yellow AT|Fat Yellow B|Hidaco Oil Yellow|NSC 1797|NSC 26821|o-Amidoazotoluol|o-Aminoazotoluene|o-Aminoazotolueno|o-Aminoazotoluol|o-AT|o-Tolueneazo-o-toluidine|o-Toluidine, 4-o-tolylazo-|o-Toluol-azo-o-toluidin|OAAT|Oil Yellow 21|Oil Yellow 2681|Oil Yellow 2R|Oil Yellow AT|Oil Yellow C|Oil Yellow I|Organol Yellow 2T|ortho-Tolueneazo-ortho-toluidine|ortho-Toluol-azo-ortho-toluidin|Orthoaminoasotoluene|Orthoaminoasotol|28676-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020069 https://doi.org/10.22427/NTP-DATA-DTXSID1020069
ERPathway2016 ERPathway2016_218 o-Aminoazotoluene 97-56-3 DTXSID1020069 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=CC=C1N=NC1=CC(C)=C(N)C=C1 o-Aminoazotoluene 97-56-3|o-Aminoazotoluene|2-Amino-5-azotoluene|2-Aminoazotoluene|2-Methyl-4-((2-methylphenyl)azo)benzenamine|2-Methyl-4-[(2-methylphenyl)diazenyl]amine|2-Methyl-4-[(o-tolyl)azo]aniline|2-Methyl-4-[2-(2-methylphenyl)diazenyl]benzenamine|2,3'-Dimethyl-4'-aminoazobenzene|2',3-Dimethyl-4-aminoazobenzene|4-(o-Tolylazo)-o-toluidine|4-16-00-00528|4-Amino-2',3-dimethylazobenzene|4'-Amino-2:3'-azotoluene|Benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-|Benzenamine, 2-methyl-4-[2-(2-methylphenyl)diazenyl]-|Brasilazina Oil Yellow R|BRN 0745567|C.I. 11160|C.I. 11160B|CI Solvent Yellow 3|Fast Garnet GBC Base|Fast Oil Yellow|Fast Yellow AT|Fat Yellow B|Hidaco Oil Yellow|NSC 1797|NSC 26821|o-Amidoazotoluol|o-Aminoazotoluene|o-Aminoazotolueno|o-Aminoazotoluol|o-AT|o-Tolueneazo-o-toluidine|o-Toluidine, 4-o-tolylazo-|o-Toluol-azo-o-toluidin|OAAT|Oil Yellow 21|Oil Yellow 2681|Oil Yellow 2R|Oil Yellow AT|Oil Yellow C|Oil Yellow I|Organol Yellow 2T|ortho-Tolueneazo-ortho-toluidine|ortho-Toluol-azo-ortho-toluidin|Orthoaminoasotoluene|Orthoaminoasotol|28676-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020069 https://doi.org/10.22427/NTP-DATA-DTXSID1020069
ERPathway2016 ERPathway2016_218 o-Aminoazotoluene 97-56-3 DTXSID1020069 Agonist ER Pathway Model, Antagonist Call Active Unitless CC1=CC=CC=C1N=NC1=CC(C)=C(N)C=C1 o-Aminoazotoluene 97-56-3|o-Aminoazotoluene|2-Amino-5-azotoluene|2-Aminoazotoluene|2-Methyl-4-((2-methylphenyl)azo)benzenamine|2-Methyl-4-[(2-methylphenyl)diazenyl]amine|2-Methyl-4-[(o-tolyl)azo]aniline|2-Methyl-4-[2-(2-methylphenyl)diazenyl]benzenamine|2,3'-Dimethyl-4'-aminoazobenzene|2',3-Dimethyl-4-aminoazobenzene|4-(o-Tolylazo)-o-toluidine|4-16-00-00528|4-Amino-2',3-dimethylazobenzene|4'-Amino-2:3'-azotoluene|Benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-|Benzenamine, 2-methyl-4-[2-(2-methylphenyl)diazenyl]-|Brasilazina Oil Yellow R|BRN 0745567|C.I. 11160|C.I. 11160B|CI Solvent Yellow 3|Fast Garnet GBC Base|Fast Oil Yellow|Fast Yellow AT|Fat Yellow B|Hidaco Oil Yellow|NSC 1797|NSC 26821|o-Amidoazotoluol|o-Aminoazotoluene|o-Aminoazotolueno|o-Aminoazotoluol|o-AT|o-Tolueneazo-o-toluidine|o-Toluidine, 4-o-tolylazo-|o-Toluol-azo-o-toluidin|OAAT|Oil Yellow 21|Oil Yellow 2681|Oil Yellow 2R|Oil Yellow AT|Oil Yellow C|Oil Yellow I|Organol Yellow 2T|ortho-Tolueneazo-ortho-toluidine|ortho-Toluol-azo-ortho-toluidin|Orthoaminoasotoluene|Orthoaminoasotol|28676-13-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020069 https://doi.org/10.22427/NTP-DATA-DTXSID1020069
ARPathway2016 ARPathway2016_1758 o-Cresol 95-48-7 DTXSID8021808 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(O)C=CC=C1 o-Cresol 95-48-7|o-Cresol|1-Hydroxy-2-methylbenzene|1-Methyl-2-hydroxybenzene|2-cresol|2-Hydroxy-1-methylbenzene|2-Hydroxytoluene|2-Methylphenol|CRESOL, ORTHO|EINECS 202-423-8|FEMA No. 3480|NSC 23076|NSC 36809|O-CRESYLIC ACID|o-Hydroxytoluene|o-Kresol|o-Methylphenol|o-Methylphenylol|o-Oxytoluene|o-Toluol|ORTHO-CRESOL|ortho-Hydroxytoluene|orthocresol|Phenol, 2-methyl-|UNII-YW84DH5I7U https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021808 https://doi.org/10.22427/NTP-DATA-DTXSID8021808
ARPathway2016 ARPathway2016_1758 o-Cresol 95-48-7 DTXSID8021808 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(O)C=CC=C1 o-Cresol 95-48-7|o-Cresol|1-Hydroxy-2-methylbenzene|1-Methyl-2-hydroxybenzene|2-cresol|2-Hydroxy-1-methylbenzene|2-Hydroxytoluene|2-Methylphenol|CRESOL, ORTHO|EINECS 202-423-8|FEMA No. 3480|NSC 23076|NSC 36809|O-CRESYLIC ACID|o-Hydroxytoluene|o-Kresol|o-Methylphenol|o-Methylphenylol|o-Oxytoluene|o-Toluol|ORTHO-CRESOL|ortho-Hydroxytoluene|orthocresol|Phenol, 2-methyl-|UNII-YW84DH5I7U https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021808 https://doi.org/10.22427/NTP-DATA-DTXSID8021808
ARPathway2016 ARPathway2016_1758 o-Cresol 95-48-7 DTXSID8021808 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(O)C=CC=C1 o-Cresol 95-48-7|o-Cresol|1-Hydroxy-2-methylbenzene|1-Methyl-2-hydroxybenzene|2-cresol|2-Hydroxy-1-methylbenzene|2-Hydroxytoluene|2-Methylphenol|CRESOL, ORTHO|EINECS 202-423-8|FEMA No. 3480|NSC 23076|NSC 36809|O-CRESYLIC ACID|o-Hydroxytoluene|o-Kresol|o-Methylphenol|o-Methylphenylol|o-Oxytoluene|o-Toluol|ORTHO-CRESOL|ortho-Hydroxytoluene|orthocresol|Phenol, 2-methyl-|UNII-YW84DH5I7U https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021808 https://doi.org/10.22427/NTP-DATA-DTXSID8021808
ARPathway2016 ARPathway2016_1758 o-Cresol 95-48-7 DTXSID8021808 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(O)C=CC=C1 o-Cresol 95-48-7|o-Cresol|1-Hydroxy-2-methylbenzene|1-Methyl-2-hydroxybenzene|2-cresol|2-Hydroxy-1-methylbenzene|2-Hydroxytoluene|2-Methylphenol|CRESOL, ORTHO|EINECS 202-423-8|FEMA No. 3480|NSC 23076|NSC 36809|O-CRESYLIC ACID|o-Hydroxytoluene|o-Kresol|o-Methylphenol|o-Methylphenylol|o-Oxytoluene|o-Toluol|ORTHO-CRESOL|ortho-Hydroxytoluene|orthocresol|Phenol, 2-methyl-|UNII-YW84DH5I7U https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021808 https://doi.org/10.22427/NTP-DATA-DTXSID8021808
ERPathway2016 ERPathway2016_1765 o-Cresol 95-48-7 DTXSID8021808 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(O)C=CC=C1 o-Cresol 95-48-7|o-Cresol|1-Hydroxy-2-methylbenzene|1-Methyl-2-hydroxybenzene|2-cresol|2-Hydroxy-1-methylbenzene|2-Hydroxytoluene|2-Methylphenol|CRESOL, ORTHO|EINECS 202-423-8|FEMA No. 3480|NSC 23076|NSC 36809|O-CRESYLIC ACID|o-Hydroxytoluene|o-Kresol|o-Methylphenol|o-Methylphenylol|o-Oxytoluene|o-Toluol|ORTHO-CRESOL|ortho-Hydroxytoluene|orthocresol|Phenol, 2-methyl-|UNII-YW84DH5I7U https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021808 https://doi.org/10.22427/NTP-DATA-DTXSID8021808
ERPathway2016 ERPathway2016_1765 o-Cresol 95-48-7 DTXSID8021808 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(O)C=CC=C1 o-Cresol 95-48-7|o-Cresol|1-Hydroxy-2-methylbenzene|1-Methyl-2-hydroxybenzene|2-cresol|2-Hydroxy-1-methylbenzene|2-Hydroxytoluene|2-Methylphenol|CRESOL, ORTHO|EINECS 202-423-8|FEMA No. 3480|NSC 23076|NSC 36809|O-CRESYLIC ACID|o-Hydroxytoluene|o-Kresol|o-Methylphenol|o-Methylphenylol|o-Oxytoluene|o-Toluol|ORTHO-CRESOL|ortho-Hydroxytoluene|orthocresol|Phenol, 2-methyl-|UNII-YW84DH5I7U https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021808 https://doi.org/10.22427/NTP-DATA-DTXSID8021808
ERPathway2016 ERPathway2016_1765 o-Cresol 95-48-7 DTXSID8021808 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(O)C=CC=C1 o-Cresol 95-48-7|o-Cresol|1-Hydroxy-2-methylbenzene|1-Methyl-2-hydroxybenzene|2-cresol|2-Hydroxy-1-methylbenzene|2-Hydroxytoluene|2-Methylphenol|CRESOL, ORTHO|EINECS 202-423-8|FEMA No. 3480|NSC 23076|NSC 36809|O-CRESYLIC ACID|o-Hydroxytoluene|o-Kresol|o-Methylphenol|o-Methylphenylol|o-Oxytoluene|o-Toluol|ORTHO-CRESOL|ortho-Hydroxytoluene|orthocresol|Phenol, 2-methyl-|UNII-YW84DH5I7U https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021808 https://doi.org/10.22427/NTP-DATA-DTXSID8021808
ERPathway2016 ERPathway2016_1765 o-Cresol 95-48-7 DTXSID8021808 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(O)C=CC=C1 o-Cresol 95-48-7|o-Cresol|1-Hydroxy-2-methylbenzene|1-Methyl-2-hydroxybenzene|2-cresol|2-Hydroxy-1-methylbenzene|2-Hydroxytoluene|2-Methylphenol|CRESOL, ORTHO|EINECS 202-423-8|FEMA No. 3480|NSC 23076|NSC 36809|O-CRESYLIC ACID|o-Hydroxytoluene|o-Kresol|o-Methylphenol|o-Methylphenylol|o-Oxytoluene|o-Toluol|ORTHO-CRESOL|ortho-Hydroxytoluene|orthocresol|Phenol, 2-methyl-|UNII-YW84DH5I7U https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021808 https://doi.org/10.22427/NTP-DATA-DTXSID8021808
ARPathway2016 ARPathway2016_952 Octabenzone 1843-05-6 DTXSID9027441 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCOC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1 Octabenzone 1843-05-6|Octabenzone|[2-Hydroxy-4-(octyloxy)phenyl]phenylmethanone|2-Benzoyl-5-octyloxyphenol|2-Hydorxy-4-octoxybenzophenone|2-Hydroxy-4-(n-octoxy)benzophenone|2-Hydroxy-4-(n-octyloxy)benzophenone|2-Hydroxy-4-(octyloxy)benzophenon|2-Hydroxy-4-(octyloxy)benzophenone|2-Hydroxy-4-n-octoxybenzophenone|2-Hydroxy-4-octoxybenzophenone|2-Hydroxy-4-octyloxybenzophenone|2-Hydroxy-4-octyloxybenzophenone (Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-)|2-Hydroxy-4-oktyloxybenzofenon|4-(Octyloxy)-2-hydroxybenzophenone|4-n-Octyloxy-2-hydroxybenzophenone|4-Octoxy-2-hydroxybenzophenone|ADK Stab 1413|Advastab 46|Anti-UV P|Benzon OO|Benzophenone 12|BENZOPHENONE, 2-HYDROXY-4-(OCTYLOXY)-|BENZOPHENONE, 2-HYDROXY-4-OCTOXY-|Biosorb 130|BRN 1915198|Carstab 700|Chimassorb 81|Cyasorb 531|Cyasorb UV 531|Cyasorb UV 532|EINECS 217-421-2|Hostavin ARO 8|Lowilite 22|METHANONE, [2-HYDROXY-4-(OCTYLOXY)PHENYL]PHENYL|Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-|METHANONE,[2-HYDROXY-4-(OCTYLOXY)PHENYL] phenyl-|Methanone,[2-hydroxy-4-(octyloxy)phenyl]phenyl|NSC|103843-15-8|478367-73-6|53571-69-0|58392-23-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027441
ARPathway2016 ARPathway2016_952 Octabenzone 1843-05-6 DTXSID9027441 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCOC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1 Octabenzone 1843-05-6|Octabenzone|[2-Hydroxy-4-(octyloxy)phenyl]phenylmethanone|2-Benzoyl-5-octyloxyphenol|2-Hydorxy-4-octoxybenzophenone|2-Hydroxy-4-(n-octoxy)benzophenone|2-Hydroxy-4-(n-octyloxy)benzophenone|2-Hydroxy-4-(octyloxy)benzophenon|2-Hydroxy-4-(octyloxy)benzophenone|2-Hydroxy-4-n-octoxybenzophenone|2-Hydroxy-4-octoxybenzophenone|2-Hydroxy-4-octyloxybenzophenone|2-Hydroxy-4-octyloxybenzophenone (Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-)|2-Hydroxy-4-oktyloxybenzofenon|4-(Octyloxy)-2-hydroxybenzophenone|4-n-Octyloxy-2-hydroxybenzophenone|4-Octoxy-2-hydroxybenzophenone|ADK Stab 1413|Advastab 46|Anti-UV P|Benzon OO|Benzophenone 12|BENZOPHENONE, 2-HYDROXY-4-(OCTYLOXY)-|BENZOPHENONE, 2-HYDROXY-4-OCTOXY-|Biosorb 130|BRN 1915198|Carstab 700|Chimassorb 81|Cyasorb 531|Cyasorb UV 531|Cyasorb UV 532|EINECS 217-421-2|Hostavin ARO 8|Lowilite 22|METHANONE, [2-HYDROXY-4-(OCTYLOXY)PHENYL]PHENYL|Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-|METHANONE,[2-HYDROXY-4-(OCTYLOXY)PHENYL] phenyl-|Methanone,[2-hydroxy-4-(octyloxy)phenyl]phenyl|NSC|103843-15-8|478367-73-6|53571-69-0|58392-23-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027441
ARPathway2016 ARPathway2016_952 Octabenzone 1843-05-6 DTXSID9027441 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCOC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1 Octabenzone 1843-05-6|Octabenzone|[2-Hydroxy-4-(octyloxy)phenyl]phenylmethanone|2-Benzoyl-5-octyloxyphenol|2-Hydorxy-4-octoxybenzophenone|2-Hydroxy-4-(n-octoxy)benzophenone|2-Hydroxy-4-(n-octyloxy)benzophenone|2-Hydroxy-4-(octyloxy)benzophenon|2-Hydroxy-4-(octyloxy)benzophenone|2-Hydroxy-4-n-octoxybenzophenone|2-Hydroxy-4-octoxybenzophenone|2-Hydroxy-4-octyloxybenzophenone|2-Hydroxy-4-octyloxybenzophenone (Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-)|2-Hydroxy-4-oktyloxybenzofenon|4-(Octyloxy)-2-hydroxybenzophenone|4-n-Octyloxy-2-hydroxybenzophenone|4-Octoxy-2-hydroxybenzophenone|ADK Stab 1413|Advastab 46|Anti-UV P|Benzon OO|Benzophenone 12|BENZOPHENONE, 2-HYDROXY-4-(OCTYLOXY)-|BENZOPHENONE, 2-HYDROXY-4-OCTOXY-|Biosorb 130|BRN 1915198|Carstab 700|Chimassorb 81|Cyasorb 531|Cyasorb UV 531|Cyasorb UV 532|EINECS 217-421-2|Hostavin ARO 8|Lowilite 22|METHANONE, [2-HYDROXY-4-(OCTYLOXY)PHENYL]PHENYL|Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-|METHANONE,[2-HYDROXY-4-(OCTYLOXY)PHENYL] phenyl-|Methanone,[2-hydroxy-4-(octyloxy)phenyl]phenyl|NSC|103843-15-8|478367-73-6|53571-69-0|58392-23-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027441
ARPathway2016 ARPathway2016_952 Octabenzone 1843-05-6 DTXSID9027441 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCOC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1 Octabenzone 1843-05-6|Octabenzone|[2-Hydroxy-4-(octyloxy)phenyl]phenylmethanone|2-Benzoyl-5-octyloxyphenol|2-Hydorxy-4-octoxybenzophenone|2-Hydroxy-4-(n-octoxy)benzophenone|2-Hydroxy-4-(n-octyloxy)benzophenone|2-Hydroxy-4-(octyloxy)benzophenon|2-Hydroxy-4-(octyloxy)benzophenone|2-Hydroxy-4-n-octoxybenzophenone|2-Hydroxy-4-octoxybenzophenone|2-Hydroxy-4-octyloxybenzophenone|2-Hydroxy-4-octyloxybenzophenone (Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-)|2-Hydroxy-4-oktyloxybenzofenon|4-(Octyloxy)-2-hydroxybenzophenone|4-n-Octyloxy-2-hydroxybenzophenone|4-Octoxy-2-hydroxybenzophenone|ADK Stab 1413|Advastab 46|Anti-UV P|Benzon OO|Benzophenone 12|BENZOPHENONE, 2-HYDROXY-4-(OCTYLOXY)-|BENZOPHENONE, 2-HYDROXY-4-OCTOXY-|Biosorb 130|BRN 1915198|Carstab 700|Chimassorb 81|Cyasorb 531|Cyasorb UV 531|Cyasorb UV 532|EINECS 217-421-2|Hostavin ARO 8|Lowilite 22|METHANONE, [2-HYDROXY-4-(OCTYLOXY)PHENYL]PHENYL|Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-|METHANONE,[2-HYDROXY-4-(OCTYLOXY)PHENYL] phenyl-|Methanone,[2-hydroxy-4-(octyloxy)phenyl]phenyl|NSC|103843-15-8|478367-73-6|53571-69-0|58392-23-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027441
ERPathway2016 ERPathway2016_1353 Octabenzone 1843-05-6 DTXSID9027441 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCOC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1 Octabenzone 1843-05-6|Octabenzone|[2-Hydroxy-4-(octyloxy)phenyl]phenylmethanone|2-Benzoyl-5-octyloxyphenol|2-Hydorxy-4-octoxybenzophenone|2-Hydroxy-4-(n-octoxy)benzophenone|2-Hydroxy-4-(n-octyloxy)benzophenone|2-Hydroxy-4-(octyloxy)benzophenon|2-Hydroxy-4-(octyloxy)benzophenone|2-Hydroxy-4-n-octoxybenzophenone|2-Hydroxy-4-octoxybenzophenone|2-Hydroxy-4-octyloxybenzophenone|2-Hydroxy-4-octyloxybenzophenone (Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-)|2-Hydroxy-4-oktyloxybenzofenon|4-(Octyloxy)-2-hydroxybenzophenone|4-n-Octyloxy-2-hydroxybenzophenone|4-Octoxy-2-hydroxybenzophenone|ADK Stab 1413|Advastab 46|Anti-UV P|Benzon OO|Benzophenone 12|BENZOPHENONE, 2-HYDROXY-4-(OCTYLOXY)-|BENZOPHENONE, 2-HYDROXY-4-OCTOXY-|Biosorb 130|BRN 1915198|Carstab 700|Chimassorb 81|Cyasorb 531|Cyasorb UV 531|Cyasorb UV 532|EINECS 217-421-2|Hostavin ARO 8|Lowilite 22|METHANONE, [2-HYDROXY-4-(OCTYLOXY)PHENYL]PHENYL|Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-|METHANONE,[2-HYDROXY-4-(OCTYLOXY)PHENYL] phenyl-|Methanone,[2-hydroxy-4-(octyloxy)phenyl]phenyl|NSC|103843-15-8|478367-73-6|53571-69-0|58392-23-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027441
ERPathway2016 ERPathway2016_1353 Octabenzone 1843-05-6 DTXSID9027441 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCOC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1 Octabenzone 1843-05-6|Octabenzone|[2-Hydroxy-4-(octyloxy)phenyl]phenylmethanone|2-Benzoyl-5-octyloxyphenol|2-Hydorxy-4-octoxybenzophenone|2-Hydroxy-4-(n-octoxy)benzophenone|2-Hydroxy-4-(n-octyloxy)benzophenone|2-Hydroxy-4-(octyloxy)benzophenon|2-Hydroxy-4-(octyloxy)benzophenone|2-Hydroxy-4-n-octoxybenzophenone|2-Hydroxy-4-octoxybenzophenone|2-Hydroxy-4-octyloxybenzophenone|2-Hydroxy-4-octyloxybenzophenone (Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-)|2-Hydroxy-4-oktyloxybenzofenon|4-(Octyloxy)-2-hydroxybenzophenone|4-n-Octyloxy-2-hydroxybenzophenone|4-Octoxy-2-hydroxybenzophenone|ADK Stab 1413|Advastab 46|Anti-UV P|Benzon OO|Benzophenone 12|BENZOPHENONE, 2-HYDROXY-4-(OCTYLOXY)-|BENZOPHENONE, 2-HYDROXY-4-OCTOXY-|Biosorb 130|BRN 1915198|Carstab 700|Chimassorb 81|Cyasorb 531|Cyasorb UV 531|Cyasorb UV 532|EINECS 217-421-2|Hostavin ARO 8|Lowilite 22|METHANONE, [2-HYDROXY-4-(OCTYLOXY)PHENYL]PHENYL|Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-|METHANONE,[2-HYDROXY-4-(OCTYLOXY)PHENYL] phenyl-|Methanone,[2-hydroxy-4-(octyloxy)phenyl]phenyl|NSC|103843-15-8|478367-73-6|53571-69-0|58392-23-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027441
ERPathway2016 ERPathway2016_1353 Octabenzone 1843-05-6 DTXSID9027441 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCOC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1 Octabenzone 1843-05-6|Octabenzone|[2-Hydroxy-4-(octyloxy)phenyl]phenylmethanone|2-Benzoyl-5-octyloxyphenol|2-Hydorxy-4-octoxybenzophenone|2-Hydroxy-4-(n-octoxy)benzophenone|2-Hydroxy-4-(n-octyloxy)benzophenone|2-Hydroxy-4-(octyloxy)benzophenon|2-Hydroxy-4-(octyloxy)benzophenone|2-Hydroxy-4-n-octoxybenzophenone|2-Hydroxy-4-octoxybenzophenone|2-Hydroxy-4-octyloxybenzophenone|2-Hydroxy-4-octyloxybenzophenone (Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-)|2-Hydroxy-4-oktyloxybenzofenon|4-(Octyloxy)-2-hydroxybenzophenone|4-n-Octyloxy-2-hydroxybenzophenone|4-Octoxy-2-hydroxybenzophenone|ADK Stab 1413|Advastab 46|Anti-UV P|Benzon OO|Benzophenone 12|BENZOPHENONE, 2-HYDROXY-4-(OCTYLOXY)-|BENZOPHENONE, 2-HYDROXY-4-OCTOXY-|Biosorb 130|BRN 1915198|Carstab 700|Chimassorb 81|Cyasorb 531|Cyasorb UV 531|Cyasorb UV 532|EINECS 217-421-2|Hostavin ARO 8|Lowilite 22|METHANONE, [2-HYDROXY-4-(OCTYLOXY)PHENYL]PHENYL|Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-|METHANONE,[2-HYDROXY-4-(OCTYLOXY)PHENYL] phenyl-|Methanone,[2-hydroxy-4-(octyloxy)phenyl]phenyl|NSC|103843-15-8|478367-73-6|53571-69-0|58392-23-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027441
ERPathway2016 ERPathway2016_1353 Octabenzone 1843-05-6 DTXSID9027441 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCOC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1 Octabenzone 1843-05-6|Octabenzone|[2-Hydroxy-4-(octyloxy)phenyl]phenylmethanone|2-Benzoyl-5-octyloxyphenol|2-Hydorxy-4-octoxybenzophenone|2-Hydroxy-4-(n-octoxy)benzophenone|2-Hydroxy-4-(n-octyloxy)benzophenone|2-Hydroxy-4-(octyloxy)benzophenon|2-Hydroxy-4-(octyloxy)benzophenone|2-Hydroxy-4-n-octoxybenzophenone|2-Hydroxy-4-octoxybenzophenone|2-Hydroxy-4-octyloxybenzophenone|2-Hydroxy-4-octyloxybenzophenone (Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-)|2-Hydroxy-4-oktyloxybenzofenon|4-(Octyloxy)-2-hydroxybenzophenone|4-n-Octyloxy-2-hydroxybenzophenone|4-Octoxy-2-hydroxybenzophenone|ADK Stab 1413|Advastab 46|Anti-UV P|Benzon OO|Benzophenone 12|BENZOPHENONE, 2-HYDROXY-4-(OCTYLOXY)-|BENZOPHENONE, 2-HYDROXY-4-OCTOXY-|Biosorb 130|BRN 1915198|Carstab 700|Chimassorb 81|Cyasorb 531|Cyasorb UV 531|Cyasorb UV 532|EINECS 217-421-2|Hostavin ARO 8|Lowilite 22|METHANONE, [2-HYDROXY-4-(OCTYLOXY)PHENYL]PHENYL|Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-|METHANONE,[2-HYDROXY-4-(OCTYLOXY)PHENYL] phenyl-|Methanone,[2-hydroxy-4-(octyloxy)phenyl]phenyl|NSC|103843-15-8|478367-73-6|53571-69-0|58392-23-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027441
ARPathway2016 ARPathway2016_220 Octachloro-4,7-methanotetrahydroindane 57-74-9 DTXSID7020267 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 47.2461274128765 uM ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Octachloro-4,7-methanotetrahydroindane 57-74-9|Octachloro-4,7-methanotetrahydroindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane|1,2,4,5,6,7,8,8-Octachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indaan|1,2,4,5,6,7,8,8-Octachlor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indan|1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene|1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindan|1,2,4,5,6,7,8,8-Octachloro-4,7-methano-3a,4,7,7a-tetrahydroindane|1,2,4,5,6,7,8,8-Ottochloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indano|1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene|200-349-0|4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-|4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-|Aspon-chlordane|BRN 1915474|Caswell No. 174|CD 68|Chloordaan|Chlordan|chlordane , pur|Chlordane, pur|Chlorindan|Clordan|Clordano|Cortilan-neu|Dichlorochlordene|Dowchlor|EC No.: 200-349-0|EINECS 200-349-0|ENT 25,552-X|ENT 9932|EPA Pesticide Chemical Code|39400-80-1|53637-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020267 https://doi.org/10.22427/NTP-DATA-DTXSID7020267
ARPathway2016 ARPathway2016_220 Octachloro-4,7-methanotetrahydroindane 57-74-9 DTXSID7020267 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 37.8616286131753 uM ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Octachloro-4,7-methanotetrahydroindane 57-74-9|Octachloro-4,7-methanotetrahydroindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane|1,2,4,5,6,7,8,8-Octachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indaan|1,2,4,5,6,7,8,8-Octachlor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indan|1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene|1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindan|1,2,4,5,6,7,8,8-Octachloro-4,7-methano-3a,4,7,7a-tetrahydroindane|1,2,4,5,6,7,8,8-Ottochloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indano|1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene|200-349-0|4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-|4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-|Aspon-chlordane|BRN 1915474|Caswell No. 174|CD 68|Chloordaan|Chlordan|chlordane , pur|Chlordane, pur|Chlorindan|Clordan|Clordano|Cortilan-neu|Dichlorochlordene|Dowchlor|EC No.: 200-349-0|EINECS 200-349-0|ENT 25,552-X|ENT 9932|EPA Pesticide Chemical Code|39400-80-1|53637-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020267 https://doi.org/10.22427/NTP-DATA-DTXSID7020267
ARPathway2016 ARPathway2016_220 Octachloro-4,7-methanotetrahydroindane 57-74-9 DTXSID7020267 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0942 Unitless ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Octachloro-4,7-methanotetrahydroindane 57-74-9|Octachloro-4,7-methanotetrahydroindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane|1,2,4,5,6,7,8,8-Octachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indaan|1,2,4,5,6,7,8,8-Octachlor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indan|1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene|1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindan|1,2,4,5,6,7,8,8-Octachloro-4,7-methano-3a,4,7,7a-tetrahydroindane|1,2,4,5,6,7,8,8-Ottochloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indano|1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene|200-349-0|4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-|4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-|Aspon-chlordane|BRN 1915474|Caswell No. 174|CD 68|Chloordaan|Chlordan|chlordane , pur|Chlordane, pur|Chlorindan|Clordan|Clordano|Cortilan-neu|Dichlorochlordene|Dowchlor|EC No.: 200-349-0|EINECS 200-349-0|ENT 25,552-X|ENT 9932|EPA Pesticide Chemical Code|39400-80-1|53637-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020267 https://doi.org/10.22427/NTP-DATA-DTXSID7020267
ARPathway2016 ARPathway2016_220 Octachloro-4,7-methanotetrahydroindane 57-74-9 DTXSID7020267 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Octachloro-4,7-methanotetrahydroindane 57-74-9|Octachloro-4,7-methanotetrahydroindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane|1,2,4,5,6,7,8,8-Octachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indaan|1,2,4,5,6,7,8,8-Octachlor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indan|1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene|1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindan|1,2,4,5,6,7,8,8-Octachloro-4,7-methano-3a,4,7,7a-tetrahydroindane|1,2,4,5,6,7,8,8-Ottochloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indano|1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene|200-349-0|4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-|4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-|Aspon-chlordane|BRN 1915474|Caswell No. 174|CD 68|Chloordaan|Chlordan|chlordane , pur|Chlordane, pur|Chlorindan|Clordan|Clordano|Cortilan-neu|Dichlorochlordene|Dowchlor|EC No.: 200-349-0|EINECS 200-349-0|ENT 25,552-X|ENT 9932|EPA Pesticide Chemical Code|39400-80-1|53637-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020267 https://doi.org/10.22427/NTP-DATA-DTXSID7020267
ARPathway2016 ARPathway2016_220 Octachloro-4,7-methanotetrahydroindane 57-74-9 DTXSID7020267 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Octachloro-4,7-methanotetrahydroindane 57-74-9|Octachloro-4,7-methanotetrahydroindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane|1,2,4,5,6,7,8,8-Octachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indaan|1,2,4,5,6,7,8,8-Octachlor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indan|1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene|1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindan|1,2,4,5,6,7,8,8-Octachloro-4,7-methano-3a,4,7,7a-tetrahydroindane|1,2,4,5,6,7,8,8-Ottochloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indano|1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene|200-349-0|4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-|4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-|Aspon-chlordane|BRN 1915474|Caswell No. 174|CD 68|Chloordaan|Chlordan|chlordane , pur|Chlordane, pur|Chlorindan|Clordan|Clordano|Cortilan-neu|Dichlorochlordene|Dowchlor|EC No.: 200-349-0|EINECS 200-349-0|ENT 25,552-X|ENT 9932|EPA Pesticide Chemical Code|39400-80-1|53637-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020267 https://doi.org/10.22427/NTP-DATA-DTXSID7020267
ARPathway2016 ARPathway2016_220 Octachloro-4,7-methanotetrahydroindane 57-74-9 DTXSID7020267 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Octachloro-4,7-methanotetrahydroindane 57-74-9|Octachloro-4,7-methanotetrahydroindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane|1,2,4,5,6,7,8,8-Octachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indaan|1,2,4,5,6,7,8,8-Octachlor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indan|1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene|1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindan|1,2,4,5,6,7,8,8-Octachloro-4,7-methano-3a,4,7,7a-tetrahydroindane|1,2,4,5,6,7,8,8-Ottochloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indano|1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene|200-349-0|4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-|4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-|Aspon-chlordane|BRN 1915474|Caswell No. 174|CD 68|Chloordaan|Chlordan|chlordane , pur|Chlordane, pur|Chlorindan|Clordan|Clordano|Cortilan-neu|Dichlorochlordene|Dowchlor|EC No.: 200-349-0|EINECS 200-349-0|ENT 25,552-X|ENT 9932|EPA Pesticide Chemical Code|39400-80-1|53637-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020267 https://doi.org/10.22427/NTP-DATA-DTXSID7020267
ERPathway2016 ERPathway2016_342 Octachloro-4,7-methanotetrahydroindane 57-74-9 DTXSID7020267 R6 ER Pathway Model, Antagonist AC50 16.7393068589149 uM ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Octachloro-4,7-methanotetrahydroindane 57-74-9|Octachloro-4,7-methanotetrahydroindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane|1,2,4,5,6,7,8,8-Octachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indaan|1,2,4,5,6,7,8,8-Octachlor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indan|1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene|1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindan|1,2,4,5,6,7,8,8-Octachloro-4,7-methano-3a,4,7,7a-tetrahydroindane|1,2,4,5,6,7,8,8-Ottochloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indano|1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene|200-349-0|4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-|4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-|Aspon-chlordane|BRN 1915474|Caswell No. 174|CD 68|Chloordaan|Chlordan|chlordane , pur|Chlordane, pur|Chlorindan|Clordan|Clordano|Cortilan-neu|Dichlorochlordene|Dowchlor|EC No.: 200-349-0|EINECS 200-349-0|ENT 25,552-X|ENT 9932|EPA Pesticide Chemical Code|39400-80-1|53637-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020267 https://doi.org/10.22427/NTP-DATA-DTXSID7020267
ERPathway2016 ERPathway2016_342 Octachloro-4,7-methanotetrahydroindane 57-74-9 DTXSID7020267 R6 ER Pathway Model, Antagonist ACC 6.0443953591627 uM ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Octachloro-4,7-methanotetrahydroindane 57-74-9|Octachloro-4,7-methanotetrahydroindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane|1,2,4,5,6,7,8,8-Octachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indaan|1,2,4,5,6,7,8,8-Octachlor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indan|1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene|1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindan|1,2,4,5,6,7,8,8-Octachloro-4,7-methano-3a,4,7,7a-tetrahydroindane|1,2,4,5,6,7,8,8-Ottochloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indano|1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene|200-349-0|4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-|4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-|Aspon-chlordane|BRN 1915474|Caswell No. 174|CD 68|Chloordaan|Chlordan|chlordane , pur|Chlordane, pur|Chlorindan|Clordan|Clordano|Cortilan-neu|Dichlorochlordene|Dowchlor|EC No.: 200-349-0|EINECS 200-349-0|ENT 25,552-X|ENT 9932|EPA Pesticide Chemical Code|39400-80-1|53637-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020267 https://doi.org/10.22427/NTP-DATA-DTXSID7020267
ERPathway2016 ERPathway2016_342 Octachloro-4,7-methanotetrahydroindane 57-74-9 DTXSID7020267 R6 ER Pathway Model, Agonist Model Score 0.0191 Unitless ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Octachloro-4,7-methanotetrahydroindane 57-74-9|Octachloro-4,7-methanotetrahydroindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane|1,2,4,5,6,7,8,8-Octachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indaan|1,2,4,5,6,7,8,8-Octachlor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indan|1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene|1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindan|1,2,4,5,6,7,8,8-Octachloro-4,7-methano-3a,4,7,7a-tetrahydroindane|1,2,4,5,6,7,8,8-Ottochloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indano|1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene|200-349-0|4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-|4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-|Aspon-chlordane|BRN 1915474|Caswell No. 174|CD 68|Chloordaan|Chlordan|chlordane , pur|Chlordane, pur|Chlorindan|Clordan|Clordano|Cortilan-neu|Dichlorochlordene|Dowchlor|EC No.: 200-349-0|EINECS 200-349-0|ENT 25,552-X|ENT 9932|EPA Pesticide Chemical Code|39400-80-1|53637-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020267 https://doi.org/10.22427/NTP-DATA-DTXSID7020267
ERPathway2016 ERPathway2016_342 Octachloro-4,7-methanotetrahydroindane 57-74-9 DTXSID7020267 R6 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Octachloro-4,7-methanotetrahydroindane 57-74-9|Octachloro-4,7-methanotetrahydroindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane|1,2,4,5,6,7,8,8-Octachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indaan|1,2,4,5,6,7,8,8-Octachlor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indan|1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene|1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindan|1,2,4,5,6,7,8,8-Octachloro-4,7-methano-3a,4,7,7a-tetrahydroindane|1,2,4,5,6,7,8,8-Ottochloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indano|1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene|200-349-0|4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-|4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-|Aspon-chlordane|BRN 1915474|Caswell No. 174|CD 68|Chloordaan|Chlordan|chlordane , pur|Chlordane, pur|Chlorindan|Clordan|Clordano|Cortilan-neu|Dichlorochlordene|Dowchlor|EC No.: 200-349-0|EINECS 200-349-0|ENT 25,552-X|ENT 9932|EPA Pesticide Chemical Code|39400-80-1|53637-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020267 https://doi.org/10.22427/NTP-DATA-DTXSID7020267
ERPathway2016 ERPathway2016_342 Octachloro-4,7-methanotetrahydroindane 57-74-9 DTXSID7020267 R6 ER Pathway Model, Agonist Call Inactive Unitless ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Octachloro-4,7-methanotetrahydroindane 57-74-9|Octachloro-4,7-methanotetrahydroindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane|1,2,4,5,6,7,8,8-Octachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indaan|1,2,4,5,6,7,8,8-Octachlor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indan|1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene|1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindan|1,2,4,5,6,7,8,8-Octachloro-4,7-methano-3a,4,7,7a-tetrahydroindane|1,2,4,5,6,7,8,8-Ottochloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indano|1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene|200-349-0|4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-|4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-|Aspon-chlordane|BRN 1915474|Caswell No. 174|CD 68|Chloordaan|Chlordan|chlordane , pur|Chlordane, pur|Chlorindan|Clordan|Clordano|Cortilan-neu|Dichlorochlordene|Dowchlor|EC No.: 200-349-0|EINECS 200-349-0|ENT 25,552-X|ENT 9932|EPA Pesticide Chemical Code|39400-80-1|53637-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020267 https://doi.org/10.22427/NTP-DATA-DTXSID7020267
ERPathway2016 ERPathway2016_342 Octachloro-4,7-methanotetrahydroindane 57-74-9 DTXSID7020267 R6 ER Pathway Model, Antagonist Call Active Unitless ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl Octachloro-4,7-methanotetrahydroindane 57-74-9|Octachloro-4,7-methanotetrahydroindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-endomethyleneindane|1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane|1,2,4,5,6,7,8,8-Octachloor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indaan|1,2,4,5,6,7,8,8-Octachlor-3a,4,7,7a-tetrahydro-4,7-endo-methano-indan|1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene|1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoindan|1,2,4,5,6,7,8,8-Octachloro-4,7-methano-3a,4,7,7a-tetrahydroindane|1,2,4,5,6,7,8,8-Ottochloro-3a,4,7,7a-tetraidro-4,7-endo-metano-indano|1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene|200-349-0|4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-|4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-3a,4,7,7a-tetrahydro-|Aspon-chlordane|BRN 1915474|Caswell No. 174|CD 68|Chloordaan|Chlordan|chlordane , pur|Chlordane, pur|Chlorindan|Clordan|Clordano|Cortilan-neu|Dichlorochlordene|Dowchlor|EC No.: 200-349-0|EINECS 200-349-0|ENT 25,552-X|ENT 9932|EPA Pesticide Chemical Code|39400-80-1|53637-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020267 https://doi.org/10.22427/NTP-DATA-DTXSID7020267
ARPathway2016 ARPathway2016_1339 Octadecanoic acid 57-11-4 DTXSID8021642 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCCCCCC(O)=O Octadecanoic acid 57-11-4|Octadecanoic acid|1-Heptadecane carboxylic acid|1-Heptadecanecarboxylate|1-Heptadecanecarboxylic acid|18:0|4-02-00-01206|400JB9103-88|acide octadecanoique|Acide stearique|acido estearico, puro|Acidum stearinicul|Adeka Fatty Acid SA 910|Barolub FTA|BRN 0608585|C18:0|Caswell No. 801D|Century 1210|Century 1220|Century 1230|Century 1240|Cetylacetic acid|CH3-[CH2]16-COOH|Dar-chem 14|Dervacid 3155|Edenor C 18/98|Edenor HT-JG 60|Edenor ST 1|Edenor ST 20|EINECS 200-313-4|Emersol 120|Emersol 132|Emersol 150|Emersol 153NF|Emersol 6349|EPA Pesticide Chemical Code 079082|FATTY ACID|FATTY ACID, C18-SATURATED|FEMA No. 3035|Formula 300|Glycon DP|Glycon S-70|Glycon S-80|Glycon S-90|Glycon TP|Humko Industrene R|Hy-phi 1199|Hy-phi 1205|Hy-phi 1303|Hy-phi 1401|Hydrofol 1895|Hydrofol Acid 150|Hydrofol acid 1655|Hydrofol acid 1855|Hydrofol Acid 1895|Hystrene 4516|Hystrene 5016|Hystrene 7018|Hystrene 80|Hystrene 9718|Hystrene 9718NF|Hystrene 9718NFFG|Hystrene S 97|Hystrene S-97|Hystrene T 70|Hystrene T-70|Industrene 5016|Industrene 5016K|Industrene|1245726-94-6|134503-33-6|1429745-84-5|197923-10-7|294203-07-9|294203-15-9|39390-61-9|58392-66-8|8013-28-3|8023-06-1|8037-40-9|8037-83-0|8039-51-8|8039-52-9|8039-53-0|8039-54-1|82497-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021642 https://doi.org/10.22427/NTP-DATA-DTXSID8021642
ARPathway2016 ARPathway2016_1339 Octadecanoic acid 57-11-4 DTXSID8021642 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCCCCCC(O)=O Octadecanoic acid 57-11-4|Octadecanoic acid|1-Heptadecane carboxylic acid|1-Heptadecanecarboxylate|1-Heptadecanecarboxylic acid|18:0|4-02-00-01206|400JB9103-88|acide octadecanoique|Acide stearique|acido estearico, puro|Acidum stearinicul|Adeka Fatty Acid SA 910|Barolub FTA|BRN 0608585|C18:0|Caswell No. 801D|Century 1210|Century 1220|Century 1230|Century 1240|Cetylacetic acid|CH3-[CH2]16-COOH|Dar-chem 14|Dervacid 3155|Edenor C 18/98|Edenor HT-JG 60|Edenor ST 1|Edenor ST 20|EINECS 200-313-4|Emersol 120|Emersol 132|Emersol 150|Emersol 153NF|Emersol 6349|EPA Pesticide Chemical Code 079082|FATTY ACID|FATTY ACID, C18-SATURATED|FEMA No. 3035|Formula 300|Glycon DP|Glycon S-70|Glycon S-80|Glycon S-90|Glycon TP|Humko Industrene R|Hy-phi 1199|Hy-phi 1205|Hy-phi 1303|Hy-phi 1401|Hydrofol 1895|Hydrofol Acid 150|Hydrofol acid 1655|Hydrofol acid 1855|Hydrofol Acid 1895|Hystrene 4516|Hystrene 5016|Hystrene 7018|Hystrene 80|Hystrene 9718|Hystrene 9718NF|Hystrene 9718NFFG|Hystrene S 97|Hystrene S-97|Hystrene T 70|Hystrene T-70|Industrene 5016|Industrene 5016K|Industrene|1245726-94-6|134503-33-6|1429745-84-5|197923-10-7|294203-07-9|294203-15-9|39390-61-9|58392-66-8|8013-28-3|8023-06-1|8037-40-9|8037-83-0|8039-51-8|8039-52-9|8039-53-0|8039-54-1|82497-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021642 https://doi.org/10.22427/NTP-DATA-DTXSID8021642
ARPathway2016 ARPathway2016_1339 Octadecanoic acid 57-11-4 DTXSID8021642 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCCCCCC(O)=O Octadecanoic acid 57-11-4|Octadecanoic acid|1-Heptadecane carboxylic acid|1-Heptadecanecarboxylate|1-Heptadecanecarboxylic acid|18:0|4-02-00-01206|400JB9103-88|acide octadecanoique|Acide stearique|acido estearico, puro|Acidum stearinicul|Adeka Fatty Acid SA 910|Barolub FTA|BRN 0608585|C18:0|Caswell No. 801D|Century 1210|Century 1220|Century 1230|Century 1240|Cetylacetic acid|CH3-[CH2]16-COOH|Dar-chem 14|Dervacid 3155|Edenor C 18/98|Edenor HT-JG 60|Edenor ST 1|Edenor ST 20|EINECS 200-313-4|Emersol 120|Emersol 132|Emersol 150|Emersol 153NF|Emersol 6349|EPA Pesticide Chemical Code 079082|FATTY ACID|FATTY ACID, C18-SATURATED|FEMA No. 3035|Formula 300|Glycon DP|Glycon S-70|Glycon S-80|Glycon S-90|Glycon TP|Humko Industrene R|Hy-phi 1199|Hy-phi 1205|Hy-phi 1303|Hy-phi 1401|Hydrofol 1895|Hydrofol Acid 150|Hydrofol acid 1655|Hydrofol acid 1855|Hydrofol Acid 1895|Hystrene 4516|Hystrene 5016|Hystrene 7018|Hystrene 80|Hystrene 9718|Hystrene 9718NF|Hystrene 9718NFFG|Hystrene S 97|Hystrene S-97|Hystrene T 70|Hystrene T-70|Industrene 5016|Industrene 5016K|Industrene|1245726-94-6|134503-33-6|1429745-84-5|197923-10-7|294203-07-9|294203-15-9|39390-61-9|58392-66-8|8013-28-3|8023-06-1|8037-40-9|8037-83-0|8039-51-8|8039-52-9|8039-53-0|8039-54-1|82497-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021642 https://doi.org/10.22427/NTP-DATA-DTXSID8021642
ARPathway2016 ARPathway2016_1339 Octadecanoic acid 57-11-4 DTXSID8021642 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCCCCCC(O)=O Octadecanoic acid 57-11-4|Octadecanoic acid|1-Heptadecane carboxylic acid|1-Heptadecanecarboxylate|1-Heptadecanecarboxylic acid|18:0|4-02-00-01206|400JB9103-88|acide octadecanoique|Acide stearique|acido estearico, puro|Acidum stearinicul|Adeka Fatty Acid SA 910|Barolub FTA|BRN 0608585|C18:0|Caswell No. 801D|Century 1210|Century 1220|Century 1230|Century 1240|Cetylacetic acid|CH3-[CH2]16-COOH|Dar-chem 14|Dervacid 3155|Edenor C 18/98|Edenor HT-JG 60|Edenor ST 1|Edenor ST 20|EINECS 200-313-4|Emersol 120|Emersol 132|Emersol 150|Emersol 153NF|Emersol 6349|EPA Pesticide Chemical Code 079082|FATTY ACID|FATTY ACID, C18-SATURATED|FEMA No. 3035|Formula 300|Glycon DP|Glycon S-70|Glycon S-80|Glycon S-90|Glycon TP|Humko Industrene R|Hy-phi 1199|Hy-phi 1205|Hy-phi 1303|Hy-phi 1401|Hydrofol 1895|Hydrofol Acid 150|Hydrofol acid 1655|Hydrofol acid 1855|Hydrofol Acid 1895|Hystrene 4516|Hystrene 5016|Hystrene 7018|Hystrene 80|Hystrene 9718|Hystrene 9718NF|Hystrene 9718NFFG|Hystrene S 97|Hystrene S-97|Hystrene T 70|Hystrene T-70|Industrene 5016|Industrene 5016K|Industrene|1245726-94-6|134503-33-6|1429745-84-5|197923-10-7|294203-07-9|294203-15-9|39390-61-9|58392-66-8|8013-28-3|8023-06-1|8037-40-9|8037-83-0|8039-51-8|8039-52-9|8039-53-0|8039-54-1|82497-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021642 https://doi.org/10.22427/NTP-DATA-DTXSID8021642
ERPathway2016 ERPathway2016_192 Octadecanoic acid 57-11-4 DTXSID8021642 Agonist ER Pathway Model, Antagonist AC50 7.24600862010455 uM CCCCCCCCCCCCCCCCCC(O)=O Octadecanoic acid 57-11-4|Octadecanoic acid|1-Heptadecane carboxylic acid|1-Heptadecanecarboxylate|1-Heptadecanecarboxylic acid|18:0|4-02-00-01206|400JB9103-88|acide octadecanoique|Acide stearique|acido estearico, puro|Acidum stearinicul|Adeka Fatty Acid SA 910|Barolub FTA|BRN 0608585|C18:0|Caswell No. 801D|Century 1210|Century 1220|Century 1230|Century 1240|Cetylacetic acid|CH3-[CH2]16-COOH|Dar-chem 14|Dervacid 3155|Edenor C 18/98|Edenor HT-JG 60|Edenor ST 1|Edenor ST 20|EINECS 200-313-4|Emersol 120|Emersol 132|Emersol 150|Emersol 153NF|Emersol 6349|EPA Pesticide Chemical Code 079082|FATTY ACID|FATTY ACID, C18-SATURATED|FEMA No. 3035|Formula 300|Glycon DP|Glycon S-70|Glycon S-80|Glycon S-90|Glycon TP|Humko Industrene R|Hy-phi 1199|Hy-phi 1205|Hy-phi 1303|Hy-phi 1401|Hydrofol 1895|Hydrofol Acid 150|Hydrofol acid 1655|Hydrofol acid 1855|Hydrofol Acid 1895|Hystrene 4516|Hystrene 5016|Hystrene 7018|Hystrene 80|Hystrene 9718|Hystrene 9718NF|Hystrene 9718NFFG|Hystrene S 97|Hystrene S-97|Hystrene T 70|Hystrene T-70|Industrene 5016|Industrene 5016K|Industrene|1245726-94-6|134503-33-6|1429745-84-5|197923-10-7|294203-07-9|294203-15-9|39390-61-9|58392-66-8|8013-28-3|8023-06-1|8037-40-9|8037-83-0|8039-51-8|8039-52-9|8039-53-0|8039-54-1|82497-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021642 https://doi.org/10.22427/NTP-DATA-DTXSID8021642
ERPathway2016 ERPathway2016_192 Octadecanoic acid 57-11-4 DTXSID8021642 Agonist ER Pathway Model, Antagonist ACC 2.50574742502705 uM CCCCCCCCCCCCCCCCCC(O)=O Octadecanoic acid 57-11-4|Octadecanoic acid|1-Heptadecane carboxylic acid|1-Heptadecanecarboxylate|1-Heptadecanecarboxylic acid|18:0|4-02-00-01206|400JB9103-88|acide octadecanoique|Acide stearique|acido estearico, puro|Acidum stearinicul|Adeka Fatty Acid SA 910|Barolub FTA|BRN 0608585|C18:0|Caswell No. 801D|Century 1210|Century 1220|Century 1230|Century 1240|Cetylacetic acid|CH3-[CH2]16-COOH|Dar-chem 14|Dervacid 3155|Edenor C 18/98|Edenor HT-JG 60|Edenor ST 1|Edenor ST 20|EINECS 200-313-4|Emersol 120|Emersol 132|Emersol 150|Emersol 153NF|Emersol 6349|EPA Pesticide Chemical Code 079082|FATTY ACID|FATTY ACID, C18-SATURATED|FEMA No. 3035|Formula 300|Glycon DP|Glycon S-70|Glycon S-80|Glycon S-90|Glycon TP|Humko Industrene R|Hy-phi 1199|Hy-phi 1205|Hy-phi 1303|Hy-phi 1401|Hydrofol 1895|Hydrofol Acid 150|Hydrofol acid 1655|Hydrofol acid 1855|Hydrofol Acid 1895|Hystrene 4516|Hystrene 5016|Hystrene 7018|Hystrene 80|Hystrene 9718|Hystrene 9718NF|Hystrene 9718NFFG|Hystrene S 97|Hystrene S-97|Hystrene T 70|Hystrene T-70|Industrene 5016|Industrene 5016K|Industrene|1245726-94-6|134503-33-6|1429745-84-5|197923-10-7|294203-07-9|294203-15-9|39390-61-9|58392-66-8|8013-28-3|8023-06-1|8037-40-9|8037-83-0|8039-51-8|8039-52-9|8039-53-0|8039-54-1|82497-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021642 https://doi.org/10.22427/NTP-DATA-DTXSID8021642
ERPathway2016 ERPathway2016_192 Octadecanoic acid 57-11-4 DTXSID8021642 Agonist ER Pathway Model, Agonist Model Score 0.248 Unitless CCCCCCCCCCCCCCCCCC(O)=O Octadecanoic acid 57-11-4|Octadecanoic acid|1-Heptadecane carboxylic acid|1-Heptadecanecarboxylate|1-Heptadecanecarboxylic acid|18:0|4-02-00-01206|400JB9103-88|acide octadecanoique|Acide stearique|acido estearico, puro|Acidum stearinicul|Adeka Fatty Acid SA 910|Barolub FTA|BRN 0608585|C18:0|Caswell No. 801D|Century 1210|Century 1220|Century 1230|Century 1240|Cetylacetic acid|CH3-[CH2]16-COOH|Dar-chem 14|Dervacid 3155|Edenor C 18/98|Edenor HT-JG 60|Edenor ST 1|Edenor ST 20|EINECS 200-313-4|Emersol 120|Emersol 132|Emersol 150|Emersol 153NF|Emersol 6349|EPA Pesticide Chemical Code 079082|FATTY ACID|FATTY ACID, C18-SATURATED|FEMA No. 3035|Formula 300|Glycon DP|Glycon S-70|Glycon S-80|Glycon S-90|Glycon TP|Humko Industrene R|Hy-phi 1199|Hy-phi 1205|Hy-phi 1303|Hy-phi 1401|Hydrofol 1895|Hydrofol Acid 150|Hydrofol acid 1655|Hydrofol acid 1855|Hydrofol Acid 1895|Hystrene 4516|Hystrene 5016|Hystrene 7018|Hystrene 80|Hystrene 9718|Hystrene 9718NF|Hystrene 9718NFFG|Hystrene S 97|Hystrene S-97|Hystrene T 70|Hystrene T-70|Industrene 5016|Industrene 5016K|Industrene|1245726-94-6|134503-33-6|1429745-84-5|197923-10-7|294203-07-9|294203-15-9|39390-61-9|58392-66-8|8013-28-3|8023-06-1|8037-40-9|8037-83-0|8039-51-8|8039-52-9|8039-53-0|8039-54-1|82497-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021642 https://doi.org/10.22427/NTP-DATA-DTXSID8021642
ERPathway2016 ERPathway2016_192 Octadecanoic acid 57-11-4 DTXSID8021642 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCCCCCC(O)=O Octadecanoic acid 57-11-4|Octadecanoic acid|1-Heptadecane carboxylic acid|1-Heptadecanecarboxylate|1-Heptadecanecarboxylic acid|18:0|4-02-00-01206|400JB9103-88|acide octadecanoique|Acide stearique|acido estearico, puro|Acidum stearinicul|Adeka Fatty Acid SA 910|Barolub FTA|BRN 0608585|C18:0|Caswell No. 801D|Century 1210|Century 1220|Century 1230|Century 1240|Cetylacetic acid|CH3-[CH2]16-COOH|Dar-chem 14|Dervacid 3155|Edenor C 18/98|Edenor HT-JG 60|Edenor ST 1|Edenor ST 20|EINECS 200-313-4|Emersol 120|Emersol 132|Emersol 150|Emersol 153NF|Emersol 6349|EPA Pesticide Chemical Code 079082|FATTY ACID|FATTY ACID, C18-SATURATED|FEMA No. 3035|Formula 300|Glycon DP|Glycon S-70|Glycon S-80|Glycon S-90|Glycon TP|Humko Industrene R|Hy-phi 1199|Hy-phi 1205|Hy-phi 1303|Hy-phi 1401|Hydrofol 1895|Hydrofol Acid 150|Hydrofol acid 1655|Hydrofol acid 1855|Hydrofol Acid 1895|Hystrene 4516|Hystrene 5016|Hystrene 7018|Hystrene 80|Hystrene 9718|Hystrene 9718NF|Hystrene 9718NFFG|Hystrene S 97|Hystrene S-97|Hystrene T 70|Hystrene T-70|Industrene 5016|Industrene 5016K|Industrene|1245726-94-6|134503-33-6|1429745-84-5|197923-10-7|294203-07-9|294203-15-9|39390-61-9|58392-66-8|8013-28-3|8023-06-1|8037-40-9|8037-83-0|8039-51-8|8039-52-9|8039-53-0|8039-54-1|82497-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021642 https://doi.org/10.22427/NTP-DATA-DTXSID8021642
ERPathway2016 ERPathway2016_192 Octadecanoic acid 57-11-4 DTXSID8021642 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCCCCCC(O)=O Octadecanoic acid 57-11-4|Octadecanoic acid|1-Heptadecane carboxylic acid|1-Heptadecanecarboxylate|1-Heptadecanecarboxylic acid|18:0|4-02-00-01206|400JB9103-88|acide octadecanoique|Acide stearique|acido estearico, puro|Acidum stearinicul|Adeka Fatty Acid SA 910|Barolub FTA|BRN 0608585|C18:0|Caswell No. 801D|Century 1210|Century 1220|Century 1230|Century 1240|Cetylacetic acid|CH3-[CH2]16-COOH|Dar-chem 14|Dervacid 3155|Edenor C 18/98|Edenor HT-JG 60|Edenor ST 1|Edenor ST 20|EINECS 200-313-4|Emersol 120|Emersol 132|Emersol 150|Emersol 153NF|Emersol 6349|EPA Pesticide Chemical Code 079082|FATTY ACID|FATTY ACID, C18-SATURATED|FEMA No. 3035|Formula 300|Glycon DP|Glycon S-70|Glycon S-80|Glycon S-90|Glycon TP|Humko Industrene R|Hy-phi 1199|Hy-phi 1205|Hy-phi 1303|Hy-phi 1401|Hydrofol 1895|Hydrofol Acid 150|Hydrofol acid 1655|Hydrofol acid 1855|Hydrofol Acid 1895|Hystrene 4516|Hystrene 5016|Hystrene 7018|Hystrene 80|Hystrene 9718|Hystrene 9718NF|Hystrene 9718NFFG|Hystrene S 97|Hystrene S-97|Hystrene T 70|Hystrene T-70|Industrene 5016|Industrene 5016K|Industrene|1245726-94-6|134503-33-6|1429745-84-5|197923-10-7|294203-07-9|294203-15-9|39390-61-9|58392-66-8|8013-28-3|8023-06-1|8037-40-9|8037-83-0|8039-51-8|8039-52-9|8039-53-0|8039-54-1|82497-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021642 https://doi.org/10.22427/NTP-DATA-DTXSID8021642
ERPathway2016 ERPathway2016_192 Octadecanoic acid 57-11-4 DTXSID8021642 Agonist ER Pathway Model, Antagonist Call Active Unitless CCCCCCCCCCCCCCCCCC(O)=O Octadecanoic acid 57-11-4|Octadecanoic acid|1-Heptadecane carboxylic acid|1-Heptadecanecarboxylate|1-Heptadecanecarboxylic acid|18:0|4-02-00-01206|400JB9103-88|acide octadecanoique|Acide stearique|acido estearico, puro|Acidum stearinicul|Adeka Fatty Acid SA 910|Barolub FTA|BRN 0608585|C18:0|Caswell No. 801D|Century 1210|Century 1220|Century 1230|Century 1240|Cetylacetic acid|CH3-[CH2]16-COOH|Dar-chem 14|Dervacid 3155|Edenor C 18/98|Edenor HT-JG 60|Edenor ST 1|Edenor ST 20|EINECS 200-313-4|Emersol 120|Emersol 132|Emersol 150|Emersol 153NF|Emersol 6349|EPA Pesticide Chemical Code 079082|FATTY ACID|FATTY ACID, C18-SATURATED|FEMA No. 3035|Formula 300|Glycon DP|Glycon S-70|Glycon S-80|Glycon S-90|Glycon TP|Humko Industrene R|Hy-phi 1199|Hy-phi 1205|Hy-phi 1303|Hy-phi 1401|Hydrofol 1895|Hydrofol Acid 150|Hydrofol acid 1655|Hydrofol acid 1855|Hydrofol Acid 1895|Hystrene 4516|Hystrene 5016|Hystrene 7018|Hystrene 80|Hystrene 9718|Hystrene 9718NF|Hystrene 9718NFFG|Hystrene S 97|Hystrene S-97|Hystrene T 70|Hystrene T-70|Industrene 5016|Industrene 5016K|Industrene|1245726-94-6|134503-33-6|1429745-84-5|197923-10-7|294203-07-9|294203-15-9|39390-61-9|58392-66-8|8013-28-3|8023-06-1|8037-40-9|8037-83-0|8039-51-8|8039-52-9|8039-53-0|8039-54-1|82497-27-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021642 https://doi.org/10.22427/NTP-DATA-DTXSID8021642
ERPathway2016 ERPathway2016_1451 Octadecanoic acid, 12-(acetyloxy)-, 2,3-bis(acetyloxy)propyl ester 330198-91-9 DTXSID10274033 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O)OC(C)=O Octadecanoic acid, 12-(acetyloxy)-, 2,3-bis(acetyloxy)propyl ester 330198-91-9|Octadecanoic acid, 12-(acetyloxy)-, 2,3-bis(acetyloxy)propyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID10274033
ERPathway2016 ERPathway2016_1451 Octadecanoic acid, 12-(acetyloxy)-, 2,3-bis(acetyloxy)propyl ester 330198-91-9 DTXSID10274033 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O)OC(C)=O Octadecanoic acid, 12-(acetyloxy)-, 2,3-bis(acetyloxy)propyl ester 330198-91-9|Octadecanoic acid, 12-(acetyloxy)-, 2,3-bis(acetyloxy)propyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID10274033
ERPathway2016 ERPathway2016_1451 Octadecanoic acid, 12-(acetyloxy)-, 2,3-bis(acetyloxy)propyl ester 330198-91-9 DTXSID10274033 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O)OC(C)=O Octadecanoic acid, 12-(acetyloxy)-, 2,3-bis(acetyloxy)propyl ester 330198-91-9|Octadecanoic acid, 12-(acetyloxy)-, 2,3-bis(acetyloxy)propyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID10274033
ERPathway2016 ERPathway2016_1451 Octadecanoic acid, 12-(acetyloxy)-, 2,3-bis(acetyloxy)propyl ester 330198-91-9 DTXSID10274033 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O)OC(C)=O Octadecanoic acid, 12-(acetyloxy)-, 2,3-bis(acetyloxy)propyl ester 330198-91-9|Octadecanoic acid, 12-(acetyloxy)-, 2,3-bis(acetyloxy)propyl ester https://comptox.epa.gov/dashboard/chemical/details/DTXSID10274033
ARPathway2016 ARPathway2016_590 Octadecyl sulfate sodium salt 1120-04-3 DTXSID6047103 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCCCCCCCCCCCCCCCOS([O-])(=O)=O Octadecyl sulfate sodium salt 1120-04-3|Octadecyl sulfate sodium salt|EINECS 214-295-0|Octadecyl sodium sulfate|Sodium monooctadecyl sulfate|Sodium monostearyl sulfate|Sodium octadecyl sulfate|11082-56-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047103
ARPathway2016 ARPathway2016_590 Octadecyl sulfate sodium salt 1120-04-3 DTXSID6047103 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCCCCCCCCCCCCCCCOS([O-])(=O)=O Octadecyl sulfate sodium salt 1120-04-3|Octadecyl sulfate sodium salt|EINECS 214-295-0|Octadecyl sodium sulfate|Sodium monooctadecyl sulfate|Sodium monostearyl sulfate|Sodium octadecyl sulfate|11082-56-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047103
ARPathway2016 ARPathway2016_590 Octadecyl sulfate sodium salt 1120-04-3 DTXSID6047103 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCCCCCCCCCCCCCCCOS([O-])(=O)=O Octadecyl sulfate sodium salt 1120-04-3|Octadecyl sulfate sodium salt|EINECS 214-295-0|Octadecyl sodium sulfate|Sodium monooctadecyl sulfate|Sodium monostearyl sulfate|Sodium octadecyl sulfate|11082-56-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047103
ARPathway2016 ARPathway2016_590 Octadecyl sulfate sodium salt 1120-04-3 DTXSID6047103 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCCCCCCCCCCCOS([O-])(=O)=O Octadecyl sulfate sodium salt 1120-04-3|Octadecyl sulfate sodium salt|EINECS 214-295-0|Octadecyl sodium sulfate|Sodium monooctadecyl sulfate|Sodium monostearyl sulfate|Sodium octadecyl sulfate|11082-56-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047103
ERPathway2016 ERPathway2016_49 Octadecyl sulfate sodium salt 1120-04-3 DTXSID6047103 ER Pathway Model, Agonist AC50 13.2317084014691 uM [Na+].CCCCCCCCCCCCCCCCCCOS([O-])(=O)=O Octadecyl sulfate sodium salt 1120-04-3|Octadecyl sulfate sodium salt|EINECS 214-295-0|Octadecyl sodium sulfate|Sodium monooctadecyl sulfate|Sodium monostearyl sulfate|Sodium octadecyl sulfate|11082-56-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047103
ERPathway2016 ERPathway2016_49 Octadecyl sulfate sodium salt 1120-04-3 DTXSID6047103 ER Pathway Model, Agonist ACC 12.6582149315061 uM [Na+].CCCCCCCCCCCCCCCCCCOS([O-])(=O)=O Octadecyl sulfate sodium salt 1120-04-3|Octadecyl sulfate sodium salt|EINECS 214-295-0|Octadecyl sodium sulfate|Sodium monooctadecyl sulfate|Sodium monostearyl sulfate|Sodium octadecyl sulfate|11082-56-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047103
ERPathway2016 ERPathway2016_49 Octadecyl sulfate sodium salt 1120-04-3 DTXSID6047103 ER Pathway Model, Agonist Model Score 0.00252 Unitless [Na+].CCCCCCCCCCCCCCCCCCOS([O-])(=O)=O Octadecyl sulfate sodium salt 1120-04-3|Octadecyl sulfate sodium salt|EINECS 214-295-0|Octadecyl sodium sulfate|Sodium monooctadecyl sulfate|Sodium monostearyl sulfate|Sodium octadecyl sulfate|11082-56-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047103
ERPathway2016 ERPathway2016_49 Octadecyl sulfate sodium salt 1120-04-3 DTXSID6047103 ER Pathway Model, Antagonist Model Score 0.0108 Unitless [Na+].CCCCCCCCCCCCCCCCCCOS([O-])(=O)=O Octadecyl sulfate sodium salt 1120-04-3|Octadecyl sulfate sodium salt|EINECS 214-295-0|Octadecyl sodium sulfate|Sodium monooctadecyl sulfate|Sodium monostearyl sulfate|Sodium octadecyl sulfate|11082-56-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047103
ERPathway2016 ERPathway2016_49 Octadecyl sulfate sodium salt 1120-04-3 DTXSID6047103 ER Pathway Model, Agonist Call Active Unitless [Na+].CCCCCCCCCCCCCCCCCCOS([O-])(=O)=O Octadecyl sulfate sodium salt 1120-04-3|Octadecyl sulfate sodium salt|EINECS 214-295-0|Octadecyl sodium sulfate|Sodium monooctadecyl sulfate|Sodium monostearyl sulfate|Sodium octadecyl sulfate|11082-56-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047103
ERPathway2016 ERPathway2016_49 Octadecyl sulfate sodium salt 1120-04-3 DTXSID6047103 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCCCCCCCCCCCOS([O-])(=O)=O Octadecyl sulfate sodium salt 1120-04-3|Octadecyl sulfate sodium salt|EINECS 214-295-0|Octadecyl sodium sulfate|Sodium monooctadecyl sulfate|Sodium monostearyl sulfate|Sodium octadecyl sulfate|11082-56-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047103
ARPathway2016 ARPathway2016_1326 Octamethylcyclotetrasiloxane 556-67-2 DTXSID7027205 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Octamethylcyclotetrasiloxane 556-67-2|Octamethylcyclotetrasiloxane|2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane|BRN 1787074|Cyclic dimethylsiloxane tetramer|Cyclotetrasiloxane, 2,2,4,4,6,6,8,8-octamethyl-|Cyclotetrasiloxane, octamethyl-|Cyclotetrasiloxane,octamethyl|D4|Dabco DC 5258|Dow Corning 244|Dow Corning 344|EINECS 209-136-7|Mirasil CM 4|NSC 345674|NUC Silicone VS 7207|Octamethylcyclotetrasiloxan|Octamethylcyclotetrasiloxanes|octametilciclotetrasiloxano|Oktamethylcyklotetrasiloxan|Oktamethylzyklotetrasiloxan|Silbione 70045V2|Silbione V 2|Silicone SF 1173|Tetracyclomethicone|UNII-CZ227117JE|Union Carbide 7207|Volasil 244|104986-37-0|117563-66-3|1257661-59-8|83874-62-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027205
ARPathway2016 ARPathway2016_1326 Octamethylcyclotetrasiloxane 556-67-2 DTXSID7027205 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Octamethylcyclotetrasiloxane 556-67-2|Octamethylcyclotetrasiloxane|2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane|BRN 1787074|Cyclic dimethylsiloxane tetramer|Cyclotetrasiloxane, 2,2,4,4,6,6,8,8-octamethyl-|Cyclotetrasiloxane, octamethyl-|Cyclotetrasiloxane,octamethyl|D4|Dabco DC 5258|Dow Corning 244|Dow Corning 344|EINECS 209-136-7|Mirasil CM 4|NSC 345674|NUC Silicone VS 7207|Octamethylcyclotetrasiloxan|Octamethylcyclotetrasiloxanes|octametilciclotetrasiloxano|Oktamethylcyklotetrasiloxan|Oktamethylzyklotetrasiloxan|Silbione 70045V2|Silbione V 2|Silicone SF 1173|Tetracyclomethicone|UNII-CZ227117JE|Union Carbide 7207|Volasil 244|104986-37-0|117563-66-3|1257661-59-8|83874-62-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027205
ARPathway2016 ARPathway2016_1326 Octamethylcyclotetrasiloxane 556-67-2 DTXSID7027205 0.0 AR Pathway Model, Agonist Call Inactive Unitless C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Octamethylcyclotetrasiloxane 556-67-2|Octamethylcyclotetrasiloxane|2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane|BRN 1787074|Cyclic dimethylsiloxane tetramer|Cyclotetrasiloxane, 2,2,4,4,6,6,8,8-octamethyl-|Cyclotetrasiloxane, octamethyl-|Cyclotetrasiloxane,octamethyl|D4|Dabco DC 5258|Dow Corning 244|Dow Corning 344|EINECS 209-136-7|Mirasil CM 4|NSC 345674|NUC Silicone VS 7207|Octamethylcyclotetrasiloxan|Octamethylcyclotetrasiloxanes|octametilciclotetrasiloxano|Oktamethylcyklotetrasiloxan|Oktamethylzyklotetrasiloxan|Silbione 70045V2|Silbione V 2|Silicone SF 1173|Tetracyclomethicone|UNII-CZ227117JE|Union Carbide 7207|Volasil 244|104986-37-0|117563-66-3|1257661-59-8|83874-62-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027205
ARPathway2016 ARPathway2016_1326 Octamethylcyclotetrasiloxane 556-67-2 DTXSID7027205 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Octamethylcyclotetrasiloxane 556-67-2|Octamethylcyclotetrasiloxane|2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane|BRN 1787074|Cyclic dimethylsiloxane tetramer|Cyclotetrasiloxane, 2,2,4,4,6,6,8,8-octamethyl-|Cyclotetrasiloxane, octamethyl-|Cyclotetrasiloxane,octamethyl|D4|Dabco DC 5258|Dow Corning 244|Dow Corning 344|EINECS 209-136-7|Mirasil CM 4|NSC 345674|NUC Silicone VS 7207|Octamethylcyclotetrasiloxan|Octamethylcyclotetrasiloxanes|octametilciclotetrasiloxano|Oktamethylcyklotetrasiloxan|Oktamethylzyklotetrasiloxan|Silbione 70045V2|Silbione V 2|Silicone SF 1173|Tetracyclomethicone|UNII-CZ227117JE|Union Carbide 7207|Volasil 244|104986-37-0|117563-66-3|1257661-59-8|83874-62-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027205
ERPathway2016 ERPathway2016_806 Octamethylcyclotetrasiloxane 556-67-2 DTXSID7027205 R6 ER Pathway Model, Agonist Model Score 0 Unitless C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Octamethylcyclotetrasiloxane 556-67-2|Octamethylcyclotetrasiloxane|2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane|BRN 1787074|Cyclic dimethylsiloxane tetramer|Cyclotetrasiloxane, 2,2,4,4,6,6,8,8-octamethyl-|Cyclotetrasiloxane, octamethyl-|Cyclotetrasiloxane,octamethyl|D4|Dabco DC 5258|Dow Corning 244|Dow Corning 344|EINECS 209-136-7|Mirasil CM 4|NSC 345674|NUC Silicone VS 7207|Octamethylcyclotetrasiloxan|Octamethylcyclotetrasiloxanes|octametilciclotetrasiloxano|Oktamethylcyklotetrasiloxan|Oktamethylzyklotetrasiloxan|Silbione 70045V2|Silbione V 2|Silicone SF 1173|Tetracyclomethicone|UNII-CZ227117JE|Union Carbide 7207|Volasil 244|104986-37-0|117563-66-3|1257661-59-8|83874-62-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027205
ERPathway2016 ERPathway2016_806 Octamethylcyclotetrasiloxane 556-67-2 DTXSID7027205 R6 ER Pathway Model, Antagonist Model Score 0 Unitless C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Octamethylcyclotetrasiloxane 556-67-2|Octamethylcyclotetrasiloxane|2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane|BRN 1787074|Cyclic dimethylsiloxane tetramer|Cyclotetrasiloxane, 2,2,4,4,6,6,8,8-octamethyl-|Cyclotetrasiloxane, octamethyl-|Cyclotetrasiloxane,octamethyl|D4|Dabco DC 5258|Dow Corning 244|Dow Corning 344|EINECS 209-136-7|Mirasil CM 4|NSC 345674|NUC Silicone VS 7207|Octamethylcyclotetrasiloxan|Octamethylcyclotetrasiloxanes|octametilciclotetrasiloxano|Oktamethylcyklotetrasiloxan|Oktamethylzyklotetrasiloxan|Silbione 70045V2|Silbione V 2|Silicone SF 1173|Tetracyclomethicone|UNII-CZ227117JE|Union Carbide 7207|Volasil 244|104986-37-0|117563-66-3|1257661-59-8|83874-62-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027205
ERPathway2016 ERPathway2016_806 Octamethylcyclotetrasiloxane 556-67-2 DTXSID7027205 R6 ER Pathway Model, Agonist Call Inactive Unitless C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Octamethylcyclotetrasiloxane 556-67-2|Octamethylcyclotetrasiloxane|2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane|BRN 1787074|Cyclic dimethylsiloxane tetramer|Cyclotetrasiloxane, 2,2,4,4,6,6,8,8-octamethyl-|Cyclotetrasiloxane, octamethyl-|Cyclotetrasiloxane,octamethyl|D4|Dabco DC 5258|Dow Corning 244|Dow Corning 344|EINECS 209-136-7|Mirasil CM 4|NSC 345674|NUC Silicone VS 7207|Octamethylcyclotetrasiloxan|Octamethylcyclotetrasiloxanes|octametilciclotetrasiloxano|Oktamethylcyklotetrasiloxan|Oktamethylzyklotetrasiloxan|Silbione 70045V2|Silbione V 2|Silicone SF 1173|Tetracyclomethicone|UNII-CZ227117JE|Union Carbide 7207|Volasil 244|104986-37-0|117563-66-3|1257661-59-8|83874-62-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027205
ERPathway2016 ERPathway2016_806 Octamethylcyclotetrasiloxane 556-67-2 DTXSID7027205 R6 ER Pathway Model, Antagonist Call Inactive Unitless C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 Octamethylcyclotetrasiloxane 556-67-2|Octamethylcyclotetrasiloxane|2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane|BRN 1787074|Cyclic dimethylsiloxane tetramer|Cyclotetrasiloxane, 2,2,4,4,6,6,8,8-octamethyl-|Cyclotetrasiloxane, octamethyl-|Cyclotetrasiloxane,octamethyl|D4|Dabco DC 5258|Dow Corning 244|Dow Corning 344|EINECS 209-136-7|Mirasil CM 4|NSC 345674|NUC Silicone VS 7207|Octamethylcyclotetrasiloxan|Octamethylcyclotetrasiloxanes|octametilciclotetrasiloxano|Oktamethylcyklotetrasiloxan|Oktamethylzyklotetrasiloxan|Silbione 70045V2|Silbione V 2|Silicone SF 1173|Tetracyclomethicone|UNII-CZ227117JE|Union Carbide 7207|Volasil 244|104986-37-0|117563-66-3|1257661-59-8|83874-62-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027205
ARPathway2016 ARPathway2016_495 Octamethyltrisiloxane 107-51-7 DTXSID9040710 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C Octamethyltrisiloxane 107-51-7|Octamethyltrisiloxane|EINECS 203-497-4|Trisiloxane, octamethyl-|UNII-9G1ZW13R0G https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040710
ARPathway2016 ARPathway2016_495 Octamethyltrisiloxane 107-51-7 DTXSID9040710 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C Octamethyltrisiloxane 107-51-7|Octamethyltrisiloxane|EINECS 203-497-4|Trisiloxane, octamethyl-|UNII-9G1ZW13R0G https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040710
ARPathway2016 ARPathway2016_495 Octamethyltrisiloxane 107-51-7 DTXSID9040710 0.0 AR Pathway Model, Agonist Call Inactive Unitless C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C Octamethyltrisiloxane 107-51-7|Octamethyltrisiloxane|EINECS 203-497-4|Trisiloxane, octamethyl-|UNII-9G1ZW13R0G https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040710
ARPathway2016 ARPathway2016_495 Octamethyltrisiloxane 107-51-7 DTXSID9040710 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C Octamethyltrisiloxane 107-51-7|Octamethyltrisiloxane|EINECS 203-497-4|Trisiloxane, octamethyl-|UNII-9G1ZW13R0G https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040710
ERPathway2016 ERPathway2016_1101 Octamethyltrisiloxane 107-51-7 DTXSID9040710 ER Pathway Model, Agonist Model Score 0 Unitless C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C Octamethyltrisiloxane 107-51-7|Octamethyltrisiloxane|EINECS 203-497-4|Trisiloxane, octamethyl-|UNII-9G1ZW13R0G https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040710
ERPathway2016 ERPathway2016_1101 Octamethyltrisiloxane 107-51-7 DTXSID9040710 ER Pathway Model, Antagonist Model Score 0 Unitless C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C Octamethyltrisiloxane 107-51-7|Octamethyltrisiloxane|EINECS 203-497-4|Trisiloxane, octamethyl-|UNII-9G1ZW13R0G https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040710
ERPathway2016 ERPathway2016_1101 Octamethyltrisiloxane 107-51-7 DTXSID9040710 ER Pathway Model, Agonist Call Inactive Unitless C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C Octamethyltrisiloxane 107-51-7|Octamethyltrisiloxane|EINECS 203-497-4|Trisiloxane, octamethyl-|UNII-9G1ZW13R0G https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040710
ERPathway2016 ERPathway2016_1101 Octamethyltrisiloxane 107-51-7 DTXSID9040710 ER Pathway Model, Antagonist Call Inactive Unitless C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C Octamethyltrisiloxane 107-51-7|Octamethyltrisiloxane|EINECS 203-497-4|Trisiloxane, octamethyl-|UNII-9G1ZW13R0G https://comptox.epa.gov/dashboard/chemical/details/DTXSID9040710
ARPathway2016 ARPathway2016_731 Octanal 124-13-0 DTXSID3021643 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCC=O Octanal 124-13-0|Octanal|4-01-00-03337|Aldehyde C 8|ALDEHYDE C-8|Aldehyde C8|Antifoam LF|Antifoam-LF|BRN 1744086|C-8 aldehyde|Caprylaldehyd|Caprylaldehyde|Caprylic aldehyde|EINECS 204-683-8|FEMA No. 2797|Kaprylaldehyd|n-Caprylaldehyde|n-Octaldehyde|n-Octanal|n-Octyl aldehyde|n-Octylal|NSC 1508|NSC 8969|Octaldehyde|Octanal, tech.|Octanaldehyde|Octanoic aldehyde|Octylaldehyd|Octylaldehyde|Oktanal|Oktylaldehyd|UNII-XGE9999H19 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021643
ARPathway2016 ARPathway2016_731 Octanal 124-13-0 DTXSID3021643 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCC=O Octanal 124-13-0|Octanal|4-01-00-03337|Aldehyde C 8|ALDEHYDE C-8|Aldehyde C8|Antifoam LF|Antifoam-LF|BRN 1744086|C-8 aldehyde|Caprylaldehyd|Caprylaldehyde|Caprylic aldehyde|EINECS 204-683-8|FEMA No. 2797|Kaprylaldehyd|n-Caprylaldehyde|n-Octaldehyde|n-Octanal|n-Octyl aldehyde|n-Octylal|NSC 1508|NSC 8969|Octaldehyde|Octanal, tech.|Octanaldehyde|Octanoic aldehyde|Octylaldehyd|Octylaldehyde|Oktanal|Oktylaldehyd|UNII-XGE9999H19 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021643
ARPathway2016 ARPathway2016_731 Octanal 124-13-0 DTXSID3021643 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCC=O Octanal 124-13-0|Octanal|4-01-00-03337|Aldehyde C 8|ALDEHYDE C-8|Aldehyde C8|Antifoam LF|Antifoam-LF|BRN 1744086|C-8 aldehyde|Caprylaldehyd|Caprylaldehyde|Caprylic aldehyde|EINECS 204-683-8|FEMA No. 2797|Kaprylaldehyd|n-Caprylaldehyde|n-Octaldehyde|n-Octanal|n-Octyl aldehyde|n-Octylal|NSC 1508|NSC 8969|Octaldehyde|Octanal, tech.|Octanaldehyde|Octanoic aldehyde|Octylaldehyd|Octylaldehyde|Oktanal|Oktylaldehyd|UNII-XGE9999H19 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021643
ARPathway2016 ARPathway2016_731 Octanal 124-13-0 DTXSID3021643 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCC=O Octanal 124-13-0|Octanal|4-01-00-03337|Aldehyde C 8|ALDEHYDE C-8|Aldehyde C8|Antifoam LF|Antifoam-LF|BRN 1744086|C-8 aldehyde|Caprylaldehyd|Caprylaldehyde|Caprylic aldehyde|EINECS 204-683-8|FEMA No. 2797|Kaprylaldehyd|n-Caprylaldehyde|n-Octaldehyde|n-Octanal|n-Octyl aldehyde|n-Octylal|NSC 1508|NSC 8969|Octaldehyde|Octanal, tech.|Octanaldehyde|Octanoic aldehyde|Octylaldehyd|Octylaldehyde|Oktanal|Oktylaldehyd|UNII-XGE9999H19 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021643
ERPathway2016 ERPathway2016_1243 Octanal 124-13-0 DTXSID3021643 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCC=O Octanal 124-13-0|Octanal|4-01-00-03337|Aldehyde C 8|ALDEHYDE C-8|Aldehyde C8|Antifoam LF|Antifoam-LF|BRN 1744086|C-8 aldehyde|Caprylaldehyd|Caprylaldehyde|Caprylic aldehyde|EINECS 204-683-8|FEMA No. 2797|Kaprylaldehyd|n-Caprylaldehyde|n-Octaldehyde|n-Octanal|n-Octyl aldehyde|n-Octylal|NSC 1508|NSC 8969|Octaldehyde|Octanal, tech.|Octanaldehyde|Octanoic aldehyde|Octylaldehyd|Octylaldehyde|Oktanal|Oktylaldehyd|UNII-XGE9999H19 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021643
ERPathway2016 ERPathway2016_1243 Octanal 124-13-0 DTXSID3021643 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCC=O Octanal 124-13-0|Octanal|4-01-00-03337|Aldehyde C 8|ALDEHYDE C-8|Aldehyde C8|Antifoam LF|Antifoam-LF|BRN 1744086|C-8 aldehyde|Caprylaldehyd|Caprylaldehyde|Caprylic aldehyde|EINECS 204-683-8|FEMA No. 2797|Kaprylaldehyd|n-Caprylaldehyde|n-Octaldehyde|n-Octanal|n-Octyl aldehyde|n-Octylal|NSC 1508|NSC 8969|Octaldehyde|Octanal, tech.|Octanaldehyde|Octanoic aldehyde|Octylaldehyd|Octylaldehyde|Oktanal|Oktylaldehyd|UNII-XGE9999H19 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021643
ERPathway2016 ERPathway2016_1243 Octanal 124-13-0 DTXSID3021643 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCC=O Octanal 124-13-0|Octanal|4-01-00-03337|Aldehyde C 8|ALDEHYDE C-8|Aldehyde C8|Antifoam LF|Antifoam-LF|BRN 1744086|C-8 aldehyde|Caprylaldehyd|Caprylaldehyde|Caprylic aldehyde|EINECS 204-683-8|FEMA No. 2797|Kaprylaldehyd|n-Caprylaldehyde|n-Octaldehyde|n-Octanal|n-Octyl aldehyde|n-Octylal|NSC 1508|NSC 8969|Octaldehyde|Octanal, tech.|Octanaldehyde|Octanoic aldehyde|Octylaldehyd|Octylaldehyde|Oktanal|Oktylaldehyd|UNII-XGE9999H19 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021643
ERPathway2016 ERPathway2016_1243 Octanal 124-13-0 DTXSID3021643 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCC=O Octanal 124-13-0|Octanal|4-01-00-03337|Aldehyde C 8|ALDEHYDE C-8|Aldehyde C8|Antifoam LF|Antifoam-LF|BRN 1744086|C-8 aldehyde|Caprylaldehyd|Caprylaldehyde|Caprylic aldehyde|EINECS 204-683-8|FEMA No. 2797|Kaprylaldehyd|n-Caprylaldehyde|n-Octaldehyde|n-Octanal|n-Octyl aldehyde|n-Octylal|NSC 1508|NSC 8969|Octaldehyde|Octanal, tech.|Octanaldehyde|Octanoic aldehyde|Octylaldehyd|Octylaldehyde|Oktanal|Oktylaldehyd|UNII-XGE9999H19 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021643
ARPathway2016 ARPathway2016_729 Octanoic acid 124-07-2 DTXSID3021645 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCC(O)=O Octanoic acid 124-07-2|Octanoic acid|1-Heptanecarboxylate|1-Heptanecarboxylic acid|4-02-00-00982|8:0|Acide octanoique|acido octanoico|Acidum octanocium|BRN 1747180|C8:0|Caprylate|Caprylic acid|CAPRYLIC-ACID, NATURAL|CAPRYLSAEURE|CH3-[CH2]6-COOH|Edenor C 8-98-100|EINECS 204-677-5|Emery 657|Enantic acid|FEMA No. 2799|Hexacid 898|Kaprylsaeure|Kortacid 0899|Kyselina kaprylova|Lunac 8-95|Lunac 8-98|N-Caprylate|n-Caprylic acid|N-Octanoate|n-Octanoic acid|N-Octoate|n-Octoic acid|N-Octylate|n-Octylic acid|Neo-Fat 8|Neo-Fat 8S|NSC 5024|Octansaeure|Octansaure|Octic acid|octoic acid|Octylate|Octylic acid|Prifac 2901|UNII-OBL58JN025|2171005-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021645 https://doi.org/10.22427/NTP-DATA-DTXSID3021645
ARPathway2016 ARPathway2016_729 Octanoic acid 124-07-2 DTXSID3021645 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCC(O)=O Octanoic acid 124-07-2|Octanoic acid|1-Heptanecarboxylate|1-Heptanecarboxylic acid|4-02-00-00982|8:0|Acide octanoique|acido octanoico|Acidum octanocium|BRN 1747180|C8:0|Caprylate|Caprylic acid|CAPRYLIC-ACID, NATURAL|CAPRYLSAEURE|CH3-[CH2]6-COOH|Edenor C 8-98-100|EINECS 204-677-5|Emery 657|Enantic acid|FEMA No. 2799|Hexacid 898|Kaprylsaeure|Kortacid 0899|Kyselina kaprylova|Lunac 8-95|Lunac 8-98|N-Caprylate|n-Caprylic acid|N-Octanoate|n-Octanoic acid|N-Octoate|n-Octoic acid|N-Octylate|n-Octylic acid|Neo-Fat 8|Neo-Fat 8S|NSC 5024|Octansaeure|Octansaure|Octic acid|octoic acid|Octylate|Octylic acid|Prifac 2901|UNII-OBL58JN025|2171005-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021645 https://doi.org/10.22427/NTP-DATA-DTXSID3021645
ARPathway2016 ARPathway2016_729 Octanoic acid 124-07-2 DTXSID3021645 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCC(O)=O Octanoic acid 124-07-2|Octanoic acid|1-Heptanecarboxylate|1-Heptanecarboxylic acid|4-02-00-00982|8:0|Acide octanoique|acido octanoico|Acidum octanocium|BRN 1747180|C8:0|Caprylate|Caprylic acid|CAPRYLIC-ACID, NATURAL|CAPRYLSAEURE|CH3-[CH2]6-COOH|Edenor C 8-98-100|EINECS 204-677-5|Emery 657|Enantic acid|FEMA No. 2799|Hexacid 898|Kaprylsaeure|Kortacid 0899|Kyselina kaprylova|Lunac 8-95|Lunac 8-98|N-Caprylate|n-Caprylic acid|N-Octanoate|n-Octanoic acid|N-Octoate|n-Octoic acid|N-Octylate|n-Octylic acid|Neo-Fat 8|Neo-Fat 8S|NSC 5024|Octansaeure|Octansaure|Octic acid|octoic acid|Octylate|Octylic acid|Prifac 2901|UNII-OBL58JN025|2171005-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021645 https://doi.org/10.22427/NTP-DATA-DTXSID3021645
ARPathway2016 ARPathway2016_729 Octanoic acid 124-07-2 DTXSID3021645 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCC(O)=O Octanoic acid 124-07-2|Octanoic acid|1-Heptanecarboxylate|1-Heptanecarboxylic acid|4-02-00-00982|8:0|Acide octanoique|acido octanoico|Acidum octanocium|BRN 1747180|C8:0|Caprylate|Caprylic acid|CAPRYLIC-ACID, NATURAL|CAPRYLSAEURE|CH3-[CH2]6-COOH|Edenor C 8-98-100|EINECS 204-677-5|Emery 657|Enantic acid|FEMA No. 2799|Hexacid 898|Kaprylsaeure|Kortacid 0899|Kyselina kaprylova|Lunac 8-95|Lunac 8-98|N-Caprylate|n-Caprylic acid|N-Octanoate|n-Octanoic acid|N-Octoate|n-Octoic acid|N-Octylate|n-Octylic acid|Neo-Fat 8|Neo-Fat 8S|NSC 5024|Octansaeure|Octansaure|Octic acid|octoic acid|Octylate|Octylic acid|Prifac 2901|UNII-OBL58JN025|2171005-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021645 https://doi.org/10.22427/NTP-DATA-DTXSID3021645
ERPathway2016 ERPathway2016_35 Octanoic acid 124-07-2 DTXSID3021645 ER Pathway Model, Agonist AC50 22.1030149415202 uM CCCCCCCC(O)=O Octanoic acid 124-07-2|Octanoic acid|1-Heptanecarboxylate|1-Heptanecarboxylic acid|4-02-00-00982|8:0|Acide octanoique|acido octanoico|Acidum octanocium|BRN 1747180|C8:0|Caprylate|Caprylic acid|CAPRYLIC-ACID, NATURAL|CAPRYLSAEURE|CH3-[CH2]6-COOH|Edenor C 8-98-100|EINECS 204-677-5|Emery 657|Enantic acid|FEMA No. 2799|Hexacid 898|Kaprylsaeure|Kortacid 0899|Kyselina kaprylova|Lunac 8-95|Lunac 8-98|N-Caprylate|n-Caprylic acid|N-Octanoate|n-Octanoic acid|N-Octoate|n-Octoic acid|N-Octylate|n-Octylic acid|Neo-Fat 8|Neo-Fat 8S|NSC 5024|Octansaeure|Octansaure|Octic acid|octoic acid|Octylate|Octylic acid|Prifac 2901|UNII-OBL58JN025|2171005-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021645 https://doi.org/10.22427/NTP-DATA-DTXSID3021645
ERPathway2016 ERPathway2016_35 Octanoic acid 124-07-2 DTXSID3021645 ER Pathway Model, Agonist ACC 27.5774384180333 uM CCCCCCCC(O)=O Octanoic acid 124-07-2|Octanoic acid|1-Heptanecarboxylate|1-Heptanecarboxylic acid|4-02-00-00982|8:0|Acide octanoique|acido octanoico|Acidum octanocium|BRN 1747180|C8:0|Caprylate|Caprylic acid|CAPRYLIC-ACID, NATURAL|CAPRYLSAEURE|CH3-[CH2]6-COOH|Edenor C 8-98-100|EINECS 204-677-5|Emery 657|Enantic acid|FEMA No. 2799|Hexacid 898|Kaprylsaeure|Kortacid 0899|Kyselina kaprylova|Lunac 8-95|Lunac 8-98|N-Caprylate|n-Caprylic acid|N-Octanoate|n-Octanoic acid|N-Octoate|n-Octoic acid|N-Octylate|n-Octylic acid|Neo-Fat 8|Neo-Fat 8S|NSC 5024|Octansaeure|Octansaure|Octic acid|octoic acid|Octylate|Octylic acid|Prifac 2901|UNII-OBL58JN025|2171005-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021645 https://doi.org/10.22427/NTP-DATA-DTXSID3021645
ERPathway2016 ERPathway2016_35 Octanoic acid 124-07-2 DTXSID3021645 ER Pathway Model, Agonist Model Score 0.00457 Unitless CCCCCCCC(O)=O Octanoic acid 124-07-2|Octanoic acid|1-Heptanecarboxylate|1-Heptanecarboxylic acid|4-02-00-00982|8:0|Acide octanoique|acido octanoico|Acidum octanocium|BRN 1747180|C8:0|Caprylate|Caprylic acid|CAPRYLIC-ACID, NATURAL|CAPRYLSAEURE|CH3-[CH2]6-COOH|Edenor C 8-98-100|EINECS 204-677-5|Emery 657|Enantic acid|FEMA No. 2799|Hexacid 898|Kaprylsaeure|Kortacid 0899|Kyselina kaprylova|Lunac 8-95|Lunac 8-98|N-Caprylate|n-Caprylic acid|N-Octanoate|n-Octanoic acid|N-Octoate|n-Octoic acid|N-Octylate|n-Octylic acid|Neo-Fat 8|Neo-Fat 8S|NSC 5024|Octansaeure|Octansaure|Octic acid|octoic acid|Octylate|Octylic acid|Prifac 2901|UNII-OBL58JN025|2171005-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021645 https://doi.org/10.22427/NTP-DATA-DTXSID3021645
ERPathway2016 ERPathway2016_35 Octanoic acid 124-07-2 DTXSID3021645 ER Pathway Model, Antagonist Model Score 0.0142 Unitless CCCCCCCC(O)=O Octanoic acid 124-07-2|Octanoic acid|1-Heptanecarboxylate|1-Heptanecarboxylic acid|4-02-00-00982|8:0|Acide octanoique|acido octanoico|Acidum octanocium|BRN 1747180|C8:0|Caprylate|Caprylic acid|CAPRYLIC-ACID, NATURAL|CAPRYLSAEURE|CH3-[CH2]6-COOH|Edenor C 8-98-100|EINECS 204-677-5|Emery 657|Enantic acid|FEMA No. 2799|Hexacid 898|Kaprylsaeure|Kortacid 0899|Kyselina kaprylova|Lunac 8-95|Lunac 8-98|N-Caprylate|n-Caprylic acid|N-Octanoate|n-Octanoic acid|N-Octoate|n-Octoic acid|N-Octylate|n-Octylic acid|Neo-Fat 8|Neo-Fat 8S|NSC 5024|Octansaeure|Octansaure|Octic acid|octoic acid|Octylate|Octylic acid|Prifac 2901|UNII-OBL58JN025|2171005-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021645 https://doi.org/10.22427/NTP-DATA-DTXSID3021645
ERPathway2016 ERPathway2016_35 Octanoic acid 124-07-2 DTXSID3021645 ER Pathway Model, Agonist Call Active Unitless CCCCCCCC(O)=O Octanoic acid 124-07-2|Octanoic acid|1-Heptanecarboxylate|1-Heptanecarboxylic acid|4-02-00-00982|8:0|Acide octanoique|acido octanoico|Acidum octanocium|BRN 1747180|C8:0|Caprylate|Caprylic acid|CAPRYLIC-ACID, NATURAL|CAPRYLSAEURE|CH3-[CH2]6-COOH|Edenor C 8-98-100|EINECS 204-677-5|Emery 657|Enantic acid|FEMA No. 2799|Hexacid 898|Kaprylsaeure|Kortacid 0899|Kyselina kaprylova|Lunac 8-95|Lunac 8-98|N-Caprylate|n-Caprylic acid|N-Octanoate|n-Octanoic acid|N-Octoate|n-Octoic acid|N-Octylate|n-Octylic acid|Neo-Fat 8|Neo-Fat 8S|NSC 5024|Octansaeure|Octansaure|Octic acid|octoic acid|Octylate|Octylic acid|Prifac 2901|UNII-OBL58JN025|2171005-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021645 https://doi.org/10.22427/NTP-DATA-DTXSID3021645
ERPathway2016 ERPathway2016_35 Octanoic acid 124-07-2 DTXSID3021645 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCC(O)=O Octanoic acid 124-07-2|Octanoic acid|1-Heptanecarboxylate|1-Heptanecarboxylic acid|4-02-00-00982|8:0|Acide octanoique|acido octanoico|Acidum octanocium|BRN 1747180|C8:0|Caprylate|Caprylic acid|CAPRYLIC-ACID, NATURAL|CAPRYLSAEURE|CH3-[CH2]6-COOH|Edenor C 8-98-100|EINECS 204-677-5|Emery 657|Enantic acid|FEMA No. 2799|Hexacid 898|Kaprylsaeure|Kortacid 0899|Kyselina kaprylova|Lunac 8-95|Lunac 8-98|N-Caprylate|n-Caprylic acid|N-Octanoate|n-Octanoic acid|N-Octoate|n-Octoic acid|N-Octylate|n-Octylic acid|Neo-Fat 8|Neo-Fat 8S|NSC 5024|Octansaeure|Octansaure|Octic acid|octoic acid|Octylate|Octylic acid|Prifac 2901|UNII-OBL58JN025|2171005-29-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021645 https://doi.org/10.22427/NTP-DATA-DTXSID3021645
ARPathway2016 ARPathway2016_133 Octhilinone 26530-20-1 DTXSID1025805 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 14.525441368998 uM CCCCCCCCN1SC=CC1=O Octhilinone 26530-20-1|Octhilinone|2-n-Octyl-3-isothiazolone|2-N-OCTYL-4-ISOTHIAZOLIN-3-ONE|2-n-Octyl-4-isothiozolin-3-one|2-n-Octylisothiazolin-3-one|2-octil-2H-isotiazol-3-ona|2-Octyl-2H-isothiazol-3-on|2-Octyl-2H-isothiazol-3-one|2-octyl-2H-isothiazole-3-one|2-Octyl-3-isothiazolinone|2-Octyl-3-isothiazolone|2-Octyl-3-isothioazolone|2-Octyl-3(2H)-isothiazolone|2-Octyl-4-isothiazolin-3-one|2-Octyl-4-isothiazoline-3-one|2-Octyl-4-isothiazolinone|3(2H)-Isothiazolone, 2-octyl-|4-Isothiazolin-3-one, 2-octyl-|4-Octylisothiazolin-3-one|Acticide 45|Acticide OTW|BRN 1211137|Caswell No. 613C|Ecoplast PA 20|EINECS 247-761-7|EPA Pesticide Chemical Code 099901|ISOTHIAZOLONE, [3(2H)], 2-OCTYL-|Kathon 4200|Kathon 893F|Kathon 893T|Kathon LM|Kathon LP Preservative|Kathon SP 70|Micro-Chek 11|Micro-Chek 11D|Micro-chek skane|Microban LB 6|Microbicide M-8|N-OCTYL-4-ISOTHIAZOLIN-3-ONE|Octyl-3(2H)-isothiazolone|Octyl-4-isothiazol-3-one|OCTYLISOTHIAZOLONE|Pancil T|Pancil-T|Ultrafresh DM 25|UNII-4LFS24GD0V|Vinylzene IT 3000DIDP|Vinyzene IT 3000DIDP|Zonen 0/100|Zonen|1135442-68-0|122667-23-6|12673-72-2|245125-70-6|249757-59-3|53028-82-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025805 https://doi.org/10.22427/NTP-DATA-DTXSID1025805
ARPathway2016 ARPathway2016_133 Octhilinone 26530-20-1 DTXSID1025805 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 12.33017214 uM CCCCCCCCN1SC=CC1=O Octhilinone 26530-20-1|Octhilinone|2-n-Octyl-3-isothiazolone|2-N-OCTYL-4-ISOTHIAZOLIN-3-ONE|2-n-Octyl-4-isothiozolin-3-one|2-n-Octylisothiazolin-3-one|2-octil-2H-isotiazol-3-ona|2-Octyl-2H-isothiazol-3-on|2-Octyl-2H-isothiazol-3-one|2-octyl-2H-isothiazole-3-one|2-Octyl-3-isothiazolinone|2-Octyl-3-isothiazolone|2-Octyl-3-isothioazolone|2-Octyl-3(2H)-isothiazolone|2-Octyl-4-isothiazolin-3-one|2-Octyl-4-isothiazoline-3-one|2-Octyl-4-isothiazolinone|3(2H)-Isothiazolone, 2-octyl-|4-Isothiazolin-3-one, 2-octyl-|4-Octylisothiazolin-3-one|Acticide 45|Acticide OTW|BRN 1211137|Caswell No. 613C|Ecoplast PA 20|EINECS 247-761-7|EPA Pesticide Chemical Code 099901|ISOTHIAZOLONE, [3(2H)], 2-OCTYL-|Kathon 4200|Kathon 893F|Kathon 893T|Kathon LM|Kathon LP Preservative|Kathon SP 70|Micro-Chek 11|Micro-Chek 11D|Micro-chek skane|Microban LB 6|Microbicide M-8|N-OCTYL-4-ISOTHIAZOLIN-3-ONE|Octyl-3(2H)-isothiazolone|Octyl-4-isothiazol-3-one|OCTYLISOTHIAZOLONE|Pancil T|Pancil-T|Ultrafresh DM 25|UNII-4LFS24GD0V|Vinylzene IT 3000DIDP|Vinyzene IT 3000DIDP|Zonen 0/100|Zonen|1135442-68-0|122667-23-6|12673-72-2|245125-70-6|249757-59-3|53028-82-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025805 https://doi.org/10.22427/NTP-DATA-DTXSID1025805
ARPathway2016 ARPathway2016_133 Octhilinone 26530-20-1 DTXSID1025805 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.193 Unitless CCCCCCCCN1SC=CC1=O Octhilinone 26530-20-1|Octhilinone|2-n-Octyl-3-isothiazolone|2-N-OCTYL-4-ISOTHIAZOLIN-3-ONE|2-n-Octyl-4-isothiozolin-3-one|2-n-Octylisothiazolin-3-one|2-octil-2H-isotiazol-3-ona|2-Octyl-2H-isothiazol-3-on|2-Octyl-2H-isothiazol-3-one|2-octyl-2H-isothiazole-3-one|2-Octyl-3-isothiazolinone|2-Octyl-3-isothiazolone|2-Octyl-3-isothioazolone|2-Octyl-3(2H)-isothiazolone|2-Octyl-4-isothiazolin-3-one|2-Octyl-4-isothiazoline-3-one|2-Octyl-4-isothiazolinone|3(2H)-Isothiazolone, 2-octyl-|4-Isothiazolin-3-one, 2-octyl-|4-Octylisothiazolin-3-one|Acticide 45|Acticide OTW|BRN 1211137|Caswell No. 613C|Ecoplast PA 20|EINECS 247-761-7|EPA Pesticide Chemical Code 099901|ISOTHIAZOLONE, [3(2H)], 2-OCTYL-|Kathon 4200|Kathon 893F|Kathon 893T|Kathon LM|Kathon LP Preservative|Kathon SP 70|Micro-Chek 11|Micro-Chek 11D|Micro-chek skane|Microban LB 6|Microbicide M-8|N-OCTYL-4-ISOTHIAZOLIN-3-ONE|Octyl-3(2H)-isothiazolone|Octyl-4-isothiazol-3-one|OCTYLISOTHIAZOLONE|Pancil T|Pancil-T|Ultrafresh DM 25|UNII-4LFS24GD0V|Vinylzene IT 3000DIDP|Vinyzene IT 3000DIDP|Zonen 0/100|Zonen|1135442-68-0|122667-23-6|12673-72-2|245125-70-6|249757-59-3|53028-82-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025805 https://doi.org/10.22427/NTP-DATA-DTXSID1025805
ARPathway2016 ARPathway2016_133 Octhilinone 26530-20-1 DTXSID1025805 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCN1SC=CC1=O Octhilinone 26530-20-1|Octhilinone|2-n-Octyl-3-isothiazolone|2-N-OCTYL-4-ISOTHIAZOLIN-3-ONE|2-n-Octyl-4-isothiozolin-3-one|2-n-Octylisothiazolin-3-one|2-octil-2H-isotiazol-3-ona|2-Octyl-2H-isothiazol-3-on|2-Octyl-2H-isothiazol-3-one|2-octyl-2H-isothiazole-3-one|2-Octyl-3-isothiazolinone|2-Octyl-3-isothiazolone|2-Octyl-3-isothioazolone|2-Octyl-3(2H)-isothiazolone|2-Octyl-4-isothiazolin-3-one|2-Octyl-4-isothiazoline-3-one|2-Octyl-4-isothiazolinone|3(2H)-Isothiazolone, 2-octyl-|4-Isothiazolin-3-one, 2-octyl-|4-Octylisothiazolin-3-one|Acticide 45|Acticide OTW|BRN 1211137|Caswell No. 613C|Ecoplast PA 20|EINECS 247-761-7|EPA Pesticide Chemical Code 099901|ISOTHIAZOLONE, [3(2H)], 2-OCTYL-|Kathon 4200|Kathon 893F|Kathon 893T|Kathon LM|Kathon LP Preservative|Kathon SP 70|Micro-Chek 11|Micro-Chek 11D|Micro-chek skane|Microban LB 6|Microbicide M-8|N-OCTYL-4-ISOTHIAZOLIN-3-ONE|Octyl-3(2H)-isothiazolone|Octyl-4-isothiazol-3-one|OCTYLISOTHIAZOLONE|Pancil T|Pancil-T|Ultrafresh DM 25|UNII-4LFS24GD0V|Vinylzene IT 3000DIDP|Vinyzene IT 3000DIDP|Zonen 0/100|Zonen|1135442-68-0|122667-23-6|12673-72-2|245125-70-6|249757-59-3|53028-82-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025805 https://doi.org/10.22427/NTP-DATA-DTXSID1025805
ARPathway2016 ARPathway2016_133 Octhilinone 26530-20-1 DTXSID1025805 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCCCCCN1SC=CC1=O Octhilinone 26530-20-1|Octhilinone|2-n-Octyl-3-isothiazolone|2-N-OCTYL-4-ISOTHIAZOLIN-3-ONE|2-n-Octyl-4-isothiozolin-3-one|2-n-Octylisothiazolin-3-one|2-octil-2H-isotiazol-3-ona|2-Octyl-2H-isothiazol-3-on|2-Octyl-2H-isothiazol-3-one|2-octyl-2H-isothiazole-3-one|2-Octyl-3-isothiazolinone|2-Octyl-3-isothiazolone|2-Octyl-3-isothioazolone|2-Octyl-3(2H)-isothiazolone|2-Octyl-4-isothiazolin-3-one|2-Octyl-4-isothiazoline-3-one|2-Octyl-4-isothiazolinone|3(2H)-Isothiazolone, 2-octyl-|4-Isothiazolin-3-one, 2-octyl-|4-Octylisothiazolin-3-one|Acticide 45|Acticide OTW|BRN 1211137|Caswell No. 613C|Ecoplast PA 20|EINECS 247-761-7|EPA Pesticide Chemical Code 099901|ISOTHIAZOLONE, [3(2H)], 2-OCTYL-|Kathon 4200|Kathon 893F|Kathon 893T|Kathon LM|Kathon LP Preservative|Kathon SP 70|Micro-Chek 11|Micro-Chek 11D|Micro-chek skane|Microban LB 6|Microbicide M-8|N-OCTYL-4-ISOTHIAZOLIN-3-ONE|Octyl-3(2H)-isothiazolone|Octyl-4-isothiazol-3-one|OCTYLISOTHIAZOLONE|Pancil T|Pancil-T|Ultrafresh DM 25|UNII-4LFS24GD0V|Vinylzene IT 3000DIDP|Vinyzene IT 3000DIDP|Zonen 0/100|Zonen|1135442-68-0|122667-23-6|12673-72-2|245125-70-6|249757-59-3|53028-82-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025805 https://doi.org/10.22427/NTP-DATA-DTXSID1025805
ARPathway2016 ARPathway2016_133 Octhilinone 26530-20-1 DTXSID1025805 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCN1SC=CC1=O Octhilinone 26530-20-1|Octhilinone|2-n-Octyl-3-isothiazolone|2-N-OCTYL-4-ISOTHIAZOLIN-3-ONE|2-n-Octyl-4-isothiozolin-3-one|2-n-Octylisothiazolin-3-one|2-octil-2H-isotiazol-3-ona|2-Octyl-2H-isothiazol-3-on|2-Octyl-2H-isothiazol-3-one|2-octyl-2H-isothiazole-3-one|2-Octyl-3-isothiazolinone|2-Octyl-3-isothiazolone|2-Octyl-3-isothioazolone|2-Octyl-3(2H)-isothiazolone|2-Octyl-4-isothiazolin-3-one|2-Octyl-4-isothiazoline-3-one|2-Octyl-4-isothiazolinone|3(2H)-Isothiazolone, 2-octyl-|4-Isothiazolin-3-one, 2-octyl-|4-Octylisothiazolin-3-one|Acticide 45|Acticide OTW|BRN 1211137|Caswell No. 613C|Ecoplast PA 20|EINECS 247-761-7|EPA Pesticide Chemical Code 099901|ISOTHIAZOLONE, [3(2H)], 2-OCTYL-|Kathon 4200|Kathon 893F|Kathon 893T|Kathon LM|Kathon LP Preservative|Kathon SP 70|Micro-Chek 11|Micro-Chek 11D|Micro-chek skane|Microban LB 6|Microbicide M-8|N-OCTYL-4-ISOTHIAZOLIN-3-ONE|Octyl-3(2H)-isothiazolone|Octyl-4-isothiazol-3-one|OCTYLISOTHIAZOLONE|Pancil T|Pancil-T|Ultrafresh DM 25|UNII-4LFS24GD0V|Vinylzene IT 3000DIDP|Vinyzene IT 3000DIDP|Zonen 0/100|Zonen|1135442-68-0|122667-23-6|12673-72-2|245125-70-6|249757-59-3|53028-82-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025805 https://doi.org/10.22427/NTP-DATA-DTXSID1025805
ERPathway2016 ERPathway2016_776 Octhilinone 26530-20-1 DTXSID1025805 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCN1SC=CC1=O Octhilinone 26530-20-1|Octhilinone|2-n-Octyl-3-isothiazolone|2-N-OCTYL-4-ISOTHIAZOLIN-3-ONE|2-n-Octyl-4-isothiozolin-3-one|2-n-Octylisothiazolin-3-one|2-octil-2H-isotiazol-3-ona|2-Octyl-2H-isothiazol-3-on|2-Octyl-2H-isothiazol-3-one|2-octyl-2H-isothiazole-3-one|2-Octyl-3-isothiazolinone|2-Octyl-3-isothiazolone|2-Octyl-3-isothioazolone|2-Octyl-3(2H)-isothiazolone|2-Octyl-4-isothiazolin-3-one|2-Octyl-4-isothiazoline-3-one|2-Octyl-4-isothiazolinone|3(2H)-Isothiazolone, 2-octyl-|4-Isothiazolin-3-one, 2-octyl-|4-Octylisothiazolin-3-one|Acticide 45|Acticide OTW|BRN 1211137|Caswell No. 613C|Ecoplast PA 20|EINECS 247-761-7|EPA Pesticide Chemical Code 099901|ISOTHIAZOLONE, [3(2H)], 2-OCTYL-|Kathon 4200|Kathon 893F|Kathon 893T|Kathon LM|Kathon LP Preservative|Kathon SP 70|Micro-Chek 11|Micro-Chek 11D|Micro-chek skane|Microban LB 6|Microbicide M-8|N-OCTYL-4-ISOTHIAZOLIN-3-ONE|Octyl-3(2H)-isothiazolone|Octyl-4-isothiazol-3-one|OCTYLISOTHIAZOLONE|Pancil T|Pancil-T|Ultrafresh DM 25|UNII-4LFS24GD0V|Vinylzene IT 3000DIDP|Vinyzene IT 3000DIDP|Zonen 0/100|Zonen|1135442-68-0|122667-23-6|12673-72-2|245125-70-6|249757-59-3|53028-82-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025805 https://doi.org/10.22427/NTP-DATA-DTXSID1025805
ERPathway2016 ERPathway2016_776 Octhilinone 26530-20-1 DTXSID1025805 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCN1SC=CC1=O Octhilinone 26530-20-1|Octhilinone|2-n-Octyl-3-isothiazolone|2-N-OCTYL-4-ISOTHIAZOLIN-3-ONE|2-n-Octyl-4-isothiozolin-3-one|2-n-Octylisothiazolin-3-one|2-octil-2H-isotiazol-3-ona|2-Octyl-2H-isothiazol-3-on|2-Octyl-2H-isothiazol-3-one|2-octyl-2H-isothiazole-3-one|2-Octyl-3-isothiazolinone|2-Octyl-3-isothiazolone|2-Octyl-3-isothioazolone|2-Octyl-3(2H)-isothiazolone|2-Octyl-4-isothiazolin-3-one|2-Octyl-4-isothiazoline-3-one|2-Octyl-4-isothiazolinone|3(2H)-Isothiazolone, 2-octyl-|4-Isothiazolin-3-one, 2-octyl-|4-Octylisothiazolin-3-one|Acticide 45|Acticide OTW|BRN 1211137|Caswell No. 613C|Ecoplast PA 20|EINECS 247-761-7|EPA Pesticide Chemical Code 099901|ISOTHIAZOLONE, [3(2H)], 2-OCTYL-|Kathon 4200|Kathon 893F|Kathon 893T|Kathon LM|Kathon LP Preservative|Kathon SP 70|Micro-Chek 11|Micro-Chek 11D|Micro-chek skane|Microban LB 6|Microbicide M-8|N-OCTYL-4-ISOTHIAZOLIN-3-ONE|Octyl-3(2H)-isothiazolone|Octyl-4-isothiazol-3-one|OCTYLISOTHIAZOLONE|Pancil T|Pancil-T|Ultrafresh DM 25|UNII-4LFS24GD0V|Vinylzene IT 3000DIDP|Vinyzene IT 3000DIDP|Zonen 0/100|Zonen|1135442-68-0|122667-23-6|12673-72-2|245125-70-6|249757-59-3|53028-82-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025805 https://doi.org/10.22427/NTP-DATA-DTXSID1025805
ERPathway2016 ERPathway2016_776 Octhilinone 26530-20-1 DTXSID1025805 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCN1SC=CC1=O Octhilinone 26530-20-1|Octhilinone|2-n-Octyl-3-isothiazolone|2-N-OCTYL-4-ISOTHIAZOLIN-3-ONE|2-n-Octyl-4-isothiozolin-3-one|2-n-Octylisothiazolin-3-one|2-octil-2H-isotiazol-3-ona|2-Octyl-2H-isothiazol-3-on|2-Octyl-2H-isothiazol-3-one|2-octyl-2H-isothiazole-3-one|2-Octyl-3-isothiazolinone|2-Octyl-3-isothiazolone|2-Octyl-3-isothioazolone|2-Octyl-3(2H)-isothiazolone|2-Octyl-4-isothiazolin-3-one|2-Octyl-4-isothiazoline-3-one|2-Octyl-4-isothiazolinone|3(2H)-Isothiazolone, 2-octyl-|4-Isothiazolin-3-one, 2-octyl-|4-Octylisothiazolin-3-one|Acticide 45|Acticide OTW|BRN 1211137|Caswell No. 613C|Ecoplast PA 20|EINECS 247-761-7|EPA Pesticide Chemical Code 099901|ISOTHIAZOLONE, [3(2H)], 2-OCTYL-|Kathon 4200|Kathon 893F|Kathon 893T|Kathon LM|Kathon LP Preservative|Kathon SP 70|Micro-Chek 11|Micro-Chek 11D|Micro-chek skane|Microban LB 6|Microbicide M-8|N-OCTYL-4-ISOTHIAZOLIN-3-ONE|Octyl-3(2H)-isothiazolone|Octyl-4-isothiazol-3-one|OCTYLISOTHIAZOLONE|Pancil T|Pancil-T|Ultrafresh DM 25|UNII-4LFS24GD0V|Vinylzene IT 3000DIDP|Vinyzene IT 3000DIDP|Zonen 0/100|Zonen|1135442-68-0|122667-23-6|12673-72-2|245125-70-6|249757-59-3|53028-82-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025805 https://doi.org/10.22427/NTP-DATA-DTXSID1025805
ERPathway2016 ERPathway2016_776 Octhilinone 26530-20-1 DTXSID1025805 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCN1SC=CC1=O Octhilinone 26530-20-1|Octhilinone|2-n-Octyl-3-isothiazolone|2-N-OCTYL-4-ISOTHIAZOLIN-3-ONE|2-n-Octyl-4-isothiozolin-3-one|2-n-Octylisothiazolin-3-one|2-octil-2H-isotiazol-3-ona|2-Octyl-2H-isothiazol-3-on|2-Octyl-2H-isothiazol-3-one|2-octyl-2H-isothiazole-3-one|2-Octyl-3-isothiazolinone|2-Octyl-3-isothiazolone|2-Octyl-3-isothioazolone|2-Octyl-3(2H)-isothiazolone|2-Octyl-4-isothiazolin-3-one|2-Octyl-4-isothiazoline-3-one|2-Octyl-4-isothiazolinone|3(2H)-Isothiazolone, 2-octyl-|4-Isothiazolin-3-one, 2-octyl-|4-Octylisothiazolin-3-one|Acticide 45|Acticide OTW|BRN 1211137|Caswell No. 613C|Ecoplast PA 20|EINECS 247-761-7|EPA Pesticide Chemical Code 099901|ISOTHIAZOLONE, [3(2H)], 2-OCTYL-|Kathon 4200|Kathon 893F|Kathon 893T|Kathon LM|Kathon LP Preservative|Kathon SP 70|Micro-Chek 11|Micro-Chek 11D|Micro-chek skane|Microban LB 6|Microbicide M-8|N-OCTYL-4-ISOTHIAZOLIN-3-ONE|Octyl-3(2H)-isothiazolone|Octyl-4-isothiazol-3-one|OCTYLISOTHIAZOLONE|Pancil T|Pancil-T|Ultrafresh DM 25|UNII-4LFS24GD0V|Vinylzene IT 3000DIDP|Vinyzene IT 3000DIDP|Zonen 0/100|Zonen|1135442-68-0|122667-23-6|12673-72-2|245125-70-6|249757-59-3|53028-82-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025805 https://doi.org/10.22427/NTP-DATA-DTXSID1025805
ARPathway2016 ARPathway2016_1136 Octrizole 3147-75-9 DTXSID9027522 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)CC(C)(C)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1 Octrizole 3147-75-9|Octrizole|2-(2-Hydroxy-5-t-octylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-t-octylphenyl)benzotriazole|2-(2-Hydroxy-5-tert-octylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole|2-(2'-Hydroxy-5'-(1,1,3,3-tetramethylbutyl)phenyl)benzotriazole|2-(2'-Hydroxy-5'-tert-octylphenyl)benzotriazole|2-(2'-Hydroxy-5'-tert-octylphenyl)benztriazole|2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole|2-(5'-tert-Octyl-2'-hydroxyphenyl)benzotriazole|2-Benzotriazolyl-4-tert-octylphenol|Cyasorb 5411|Cyasorb UV 5411|EINECS 221-573-5|Octrizol|Octrizolum|Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-|Seesorb 709|Spectra-Sorb UV 5411|Sumisorb 340|Tinuvin 329|UNII-R775Y233N3|UV-329|Viosorb 583|108021-89-2|123307-21-1|131242-52-9|134018-56-7|1395785-95-1|149780-04-1|188025-34-5|31016-94-1|51656-56-5|52188-76-8|862695-39-4|866032-39-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027522 https://doi.org/10.22427/NTP-DATA-DTXSID9027522
ARPathway2016 ARPathway2016_1136 Octrizole 3147-75-9 DTXSID9027522 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)CC(C)(C)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1 Octrizole 3147-75-9|Octrizole|2-(2-Hydroxy-5-t-octylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-t-octylphenyl)benzotriazole|2-(2-Hydroxy-5-tert-octylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole|2-(2'-Hydroxy-5'-(1,1,3,3-tetramethylbutyl)phenyl)benzotriazole|2-(2'-Hydroxy-5'-tert-octylphenyl)benzotriazole|2-(2'-Hydroxy-5'-tert-octylphenyl)benztriazole|2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole|2-(5'-tert-Octyl-2'-hydroxyphenyl)benzotriazole|2-Benzotriazolyl-4-tert-octylphenol|Cyasorb 5411|Cyasorb UV 5411|EINECS 221-573-5|Octrizol|Octrizolum|Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-|Seesorb 709|Spectra-Sorb UV 5411|Sumisorb 340|Tinuvin 329|UNII-R775Y233N3|UV-329|Viosorb 583|108021-89-2|123307-21-1|131242-52-9|134018-56-7|1395785-95-1|149780-04-1|188025-34-5|31016-94-1|51656-56-5|52188-76-8|862695-39-4|866032-39-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027522 https://doi.org/10.22427/NTP-DATA-DTXSID9027522
ARPathway2016 ARPathway2016_1136 Octrizole 3147-75-9 DTXSID9027522 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)CC(C)(C)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1 Octrizole 3147-75-9|Octrizole|2-(2-Hydroxy-5-t-octylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-t-octylphenyl)benzotriazole|2-(2-Hydroxy-5-tert-octylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole|2-(2'-Hydroxy-5'-(1,1,3,3-tetramethylbutyl)phenyl)benzotriazole|2-(2'-Hydroxy-5'-tert-octylphenyl)benzotriazole|2-(2'-Hydroxy-5'-tert-octylphenyl)benztriazole|2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole|2-(5'-tert-Octyl-2'-hydroxyphenyl)benzotriazole|2-Benzotriazolyl-4-tert-octylphenol|Cyasorb 5411|Cyasorb UV 5411|EINECS 221-573-5|Octrizol|Octrizolum|Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-|Seesorb 709|Spectra-Sorb UV 5411|Sumisorb 340|Tinuvin 329|UNII-R775Y233N3|UV-329|Viosorb 583|108021-89-2|123307-21-1|131242-52-9|134018-56-7|1395785-95-1|149780-04-1|188025-34-5|31016-94-1|51656-56-5|52188-76-8|862695-39-4|866032-39-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027522 https://doi.org/10.22427/NTP-DATA-DTXSID9027522
ARPathway2016 ARPathway2016_1136 Octrizole 3147-75-9 DTXSID9027522 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)CC(C)(C)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1 Octrizole 3147-75-9|Octrizole|2-(2-Hydroxy-5-t-octylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-t-octylphenyl)benzotriazole|2-(2-Hydroxy-5-tert-octylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole|2-(2'-Hydroxy-5'-(1,1,3,3-tetramethylbutyl)phenyl)benzotriazole|2-(2'-Hydroxy-5'-tert-octylphenyl)benzotriazole|2-(2'-Hydroxy-5'-tert-octylphenyl)benztriazole|2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole|2-(5'-tert-Octyl-2'-hydroxyphenyl)benzotriazole|2-Benzotriazolyl-4-tert-octylphenol|Cyasorb 5411|Cyasorb UV 5411|EINECS 221-573-5|Octrizol|Octrizolum|Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-|Seesorb 709|Spectra-Sorb UV 5411|Sumisorb 340|Tinuvin 329|UNII-R775Y233N3|UV-329|Viosorb 583|108021-89-2|123307-21-1|131242-52-9|134018-56-7|1395785-95-1|149780-04-1|188025-34-5|31016-94-1|51656-56-5|52188-76-8|862695-39-4|866032-39-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027522 https://doi.org/10.22427/NTP-DATA-DTXSID9027522
ERPathway2016 ERPathway2016_676 Octrizole 3147-75-9 DTXSID9027522 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)CC(C)(C)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1 Octrizole 3147-75-9|Octrizole|2-(2-Hydroxy-5-t-octylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-t-octylphenyl)benzotriazole|2-(2-Hydroxy-5-tert-octylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole|2-(2'-Hydroxy-5'-(1,1,3,3-tetramethylbutyl)phenyl)benzotriazole|2-(2'-Hydroxy-5'-tert-octylphenyl)benzotriazole|2-(2'-Hydroxy-5'-tert-octylphenyl)benztriazole|2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole|2-(5'-tert-Octyl-2'-hydroxyphenyl)benzotriazole|2-Benzotriazolyl-4-tert-octylphenol|Cyasorb 5411|Cyasorb UV 5411|EINECS 221-573-5|Octrizol|Octrizolum|Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-|Seesorb 709|Spectra-Sorb UV 5411|Sumisorb 340|Tinuvin 329|UNII-R775Y233N3|UV-329|Viosorb 583|108021-89-2|123307-21-1|131242-52-9|134018-56-7|1395785-95-1|149780-04-1|188025-34-5|31016-94-1|51656-56-5|52188-76-8|862695-39-4|866032-39-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027522 https://doi.org/10.22427/NTP-DATA-DTXSID9027522
ERPathway2016 ERPathway2016_676 Octrizole 3147-75-9 DTXSID9027522 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)CC(C)(C)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1 Octrizole 3147-75-9|Octrizole|2-(2-Hydroxy-5-t-octylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-t-octylphenyl)benzotriazole|2-(2-Hydroxy-5-tert-octylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole|2-(2'-Hydroxy-5'-(1,1,3,3-tetramethylbutyl)phenyl)benzotriazole|2-(2'-Hydroxy-5'-tert-octylphenyl)benzotriazole|2-(2'-Hydroxy-5'-tert-octylphenyl)benztriazole|2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole|2-(5'-tert-Octyl-2'-hydroxyphenyl)benzotriazole|2-Benzotriazolyl-4-tert-octylphenol|Cyasorb 5411|Cyasorb UV 5411|EINECS 221-573-5|Octrizol|Octrizolum|Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-|Seesorb 709|Spectra-Sorb UV 5411|Sumisorb 340|Tinuvin 329|UNII-R775Y233N3|UV-329|Viosorb 583|108021-89-2|123307-21-1|131242-52-9|134018-56-7|1395785-95-1|149780-04-1|188025-34-5|31016-94-1|51656-56-5|52188-76-8|862695-39-4|866032-39-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027522 https://doi.org/10.22427/NTP-DATA-DTXSID9027522
ERPathway2016 ERPathway2016_676 Octrizole 3147-75-9 DTXSID9027522 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)CC(C)(C)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1 Octrizole 3147-75-9|Octrizole|2-(2-Hydroxy-5-t-octylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-t-octylphenyl)benzotriazole|2-(2-Hydroxy-5-tert-octylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole|2-(2'-Hydroxy-5'-(1,1,3,3-tetramethylbutyl)phenyl)benzotriazole|2-(2'-Hydroxy-5'-tert-octylphenyl)benzotriazole|2-(2'-Hydroxy-5'-tert-octylphenyl)benztriazole|2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole|2-(5'-tert-Octyl-2'-hydroxyphenyl)benzotriazole|2-Benzotriazolyl-4-tert-octylphenol|Cyasorb 5411|Cyasorb UV 5411|EINECS 221-573-5|Octrizol|Octrizolum|Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-|Seesorb 709|Spectra-Sorb UV 5411|Sumisorb 340|Tinuvin 329|UNII-R775Y233N3|UV-329|Viosorb 583|108021-89-2|123307-21-1|131242-52-9|134018-56-7|1395785-95-1|149780-04-1|188025-34-5|31016-94-1|51656-56-5|52188-76-8|862695-39-4|866032-39-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027522 https://doi.org/10.22427/NTP-DATA-DTXSID9027522
ERPathway2016 ERPathway2016_676 Octrizole 3147-75-9 DTXSID9027522 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)CC(C)(C)C1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1 Octrizole 3147-75-9|Octrizole|2-(2-Hydroxy-5-t-octylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-t-octylphenyl)benzotriazole|2-(2-Hydroxy-5-tert-octylphenyl)-2H-benzotriazole|2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole|2-(2'-Hydroxy-5'-(1,1,3,3-tetramethylbutyl)phenyl)benzotriazole|2-(2'-Hydroxy-5'-tert-octylphenyl)benzotriazole|2-(2'-Hydroxy-5'-tert-octylphenyl)benztriazole|2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole|2-(5'-tert-Octyl-2'-hydroxyphenyl)benzotriazole|2-Benzotriazolyl-4-tert-octylphenol|Cyasorb 5411|Cyasorb UV 5411|EINECS 221-573-5|Octrizol|Octrizolum|Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-|Seesorb 709|Spectra-Sorb UV 5411|Sumisorb 340|Tinuvin 329|UNII-R775Y233N3|UV-329|Viosorb 583|108021-89-2|123307-21-1|131242-52-9|134018-56-7|1395785-95-1|149780-04-1|188025-34-5|31016-94-1|51656-56-5|52188-76-8|862695-39-4|866032-39-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027522 https://doi.org/10.22427/NTP-DATA-DTXSID9027522
ARPathway2016 ARPathway2016_597 Octyl acetate 112-14-1 DTXSID8044202 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCOC(C)=O Octyl acetate 112-14-1|Octyl acetate|1-Acetoxyoctane|1-Octanol acetate|1-Octyl acetate|1-OCTYLACETATE|2-Ethylhexyl acetate|4-02-00-00165|Acetate C-8|Acetate d'octyle|ACETATE, OCTYL|acetato de octilo|Acetic acid N-octyl ester|Acetic acid octanyl ester|Acetic acid octyl ester|Acetic acid, octyl ester|BRN 1754554|Caprylyl acetate|EINECS 203-939-6|FEMA 2806|FEMA No. 2806|n-Octanyl acetate|n-Octyl acetate|n-Octyl ethanoate|NSC 67348|Octanol acetate|Octyl acetate (van)|Octyl acetate, normal|Octyl alcohol acetate|Octyl ethanoate|Octylacetat|UNII-X0FN2J413S https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044202
ARPathway2016 ARPathway2016_597 Octyl acetate 112-14-1 DTXSID8044202 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCOC(C)=O Octyl acetate 112-14-1|Octyl acetate|1-Acetoxyoctane|1-Octanol acetate|1-Octyl acetate|1-OCTYLACETATE|2-Ethylhexyl acetate|4-02-00-00165|Acetate C-8|Acetate d'octyle|ACETATE, OCTYL|acetato de octilo|Acetic acid N-octyl ester|Acetic acid octanyl ester|Acetic acid octyl ester|Acetic acid, octyl ester|BRN 1754554|Caprylyl acetate|EINECS 203-939-6|FEMA 2806|FEMA No. 2806|n-Octanyl acetate|n-Octyl acetate|n-Octyl ethanoate|NSC 67348|Octanol acetate|Octyl acetate (van)|Octyl acetate, normal|Octyl alcohol acetate|Octyl ethanoate|Octylacetat|UNII-X0FN2J413S https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044202
ARPathway2016 ARPathway2016_597 Octyl acetate 112-14-1 DTXSID8044202 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCOC(C)=O Octyl acetate 112-14-1|Octyl acetate|1-Acetoxyoctane|1-Octanol acetate|1-Octyl acetate|1-OCTYLACETATE|2-Ethylhexyl acetate|4-02-00-00165|Acetate C-8|Acetate d'octyle|ACETATE, OCTYL|acetato de octilo|Acetic acid N-octyl ester|Acetic acid octanyl ester|Acetic acid octyl ester|Acetic acid, octyl ester|BRN 1754554|Caprylyl acetate|EINECS 203-939-6|FEMA 2806|FEMA No. 2806|n-Octanyl acetate|n-Octyl acetate|n-Octyl ethanoate|NSC 67348|Octanol acetate|Octyl acetate (van)|Octyl acetate, normal|Octyl alcohol acetate|Octyl ethanoate|Octylacetat|UNII-X0FN2J413S https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044202
ARPathway2016 ARPathway2016_597 Octyl acetate 112-14-1 DTXSID8044202 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCOC(C)=O Octyl acetate 112-14-1|Octyl acetate|1-Acetoxyoctane|1-Octanol acetate|1-Octyl acetate|1-OCTYLACETATE|2-Ethylhexyl acetate|4-02-00-00165|Acetate C-8|Acetate d'octyle|ACETATE, OCTYL|acetato de octilo|Acetic acid N-octyl ester|Acetic acid octanyl ester|Acetic acid octyl ester|Acetic acid, octyl ester|BRN 1754554|Caprylyl acetate|EINECS 203-939-6|FEMA 2806|FEMA No. 2806|n-Octanyl acetate|n-Octyl acetate|n-Octyl ethanoate|NSC 67348|Octanol acetate|Octyl acetate (van)|Octyl acetate, normal|Octyl alcohol acetate|Octyl ethanoate|Octylacetat|UNII-X0FN2J413S https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044202
ERPathway2016 ERPathway2016_1167 Octyl acetate 112-14-1 DTXSID8044202 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCOC(C)=O Octyl acetate 112-14-1|Octyl acetate|1-Acetoxyoctane|1-Octanol acetate|1-Octyl acetate|1-OCTYLACETATE|2-Ethylhexyl acetate|4-02-00-00165|Acetate C-8|Acetate d'octyle|ACETATE, OCTYL|acetato de octilo|Acetic acid N-octyl ester|Acetic acid octanyl ester|Acetic acid octyl ester|Acetic acid, octyl ester|BRN 1754554|Caprylyl acetate|EINECS 203-939-6|FEMA 2806|FEMA No. 2806|n-Octanyl acetate|n-Octyl acetate|n-Octyl ethanoate|NSC 67348|Octanol acetate|Octyl acetate (van)|Octyl acetate, normal|Octyl alcohol acetate|Octyl ethanoate|Octylacetat|UNII-X0FN2J413S https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044202
ERPathway2016 ERPathway2016_1167 Octyl acetate 112-14-1 DTXSID8044202 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCOC(C)=O Octyl acetate 112-14-1|Octyl acetate|1-Acetoxyoctane|1-Octanol acetate|1-Octyl acetate|1-OCTYLACETATE|2-Ethylhexyl acetate|4-02-00-00165|Acetate C-8|Acetate d'octyle|ACETATE, OCTYL|acetato de octilo|Acetic acid N-octyl ester|Acetic acid octanyl ester|Acetic acid octyl ester|Acetic acid, octyl ester|BRN 1754554|Caprylyl acetate|EINECS 203-939-6|FEMA 2806|FEMA No. 2806|n-Octanyl acetate|n-Octyl acetate|n-Octyl ethanoate|NSC 67348|Octanol acetate|Octyl acetate (van)|Octyl acetate, normal|Octyl alcohol acetate|Octyl ethanoate|Octylacetat|UNII-X0FN2J413S https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044202
ERPathway2016 ERPathway2016_1167 Octyl acetate 112-14-1 DTXSID8044202 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCOC(C)=O Octyl acetate 112-14-1|Octyl acetate|1-Acetoxyoctane|1-Octanol acetate|1-Octyl acetate|1-OCTYLACETATE|2-Ethylhexyl acetate|4-02-00-00165|Acetate C-8|Acetate d'octyle|ACETATE, OCTYL|acetato de octilo|Acetic acid N-octyl ester|Acetic acid octanyl ester|Acetic acid octyl ester|Acetic acid, octyl ester|BRN 1754554|Caprylyl acetate|EINECS 203-939-6|FEMA 2806|FEMA No. 2806|n-Octanyl acetate|n-Octyl acetate|n-Octyl ethanoate|NSC 67348|Octanol acetate|Octyl acetate (van)|Octyl acetate, normal|Octyl alcohol acetate|Octyl ethanoate|Octylacetat|UNII-X0FN2J413S https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044202
ERPathway2016 ERPathway2016_1167 Octyl acetate 112-14-1 DTXSID8044202 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCOC(C)=O Octyl acetate 112-14-1|Octyl acetate|1-Acetoxyoctane|1-Octanol acetate|1-Octyl acetate|1-OCTYLACETATE|2-Ethylhexyl acetate|4-02-00-00165|Acetate C-8|Acetate d'octyle|ACETATE, OCTYL|acetato de octilo|Acetic acid N-octyl ester|Acetic acid octanyl ester|Acetic acid octyl ester|Acetic acid, octyl ester|BRN 1754554|Caprylyl acetate|EINECS 203-939-6|FEMA 2806|FEMA No. 2806|n-Octanyl acetate|n-Octyl acetate|n-Octyl ethanoate|NSC 67348|Octanol acetate|Octyl acetate (van)|Octyl acetate, normal|Octyl alcohol acetate|Octyl ethanoate|Octylacetat|UNII-X0FN2J413S https://comptox.epa.gov/dashboard/chemical/details/DTXSID8044202
ARPathway2016 ARPathway2016_1121 Octyl beta-D-glucopyranoside 29836-26-8 DTXSID6042234 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Octyl beta-D-glucopyranoside 29836-26-8|Octyl beta-D-glucopyranoside|1-n-Octyl b-D-glucopyranoside|1-O-n-Octyl-b-D-glucopyranoside|1-O-octil-b-D-glucopiranosida|1-O-octyl-b-D-glucopyrannoside|1-O-Octyl-b-D-glucopyranose|1-O-Octyl-b-D-glucopyranosid|1-O-octyl-b-D-glucopyranoside|1-Octyl b-D-glucopyranoside|1-Octyl b-D-glucoside|BTB 11967|EINECS 249-887-8|Glucopyranoside, octyl, b-D-|n-Octyl b-D-glucopyranoside|n-Octyl b-D-glucoside|Octyl glucoside|Octyl b-D-glucopyranoside|Octyl b-D-glucoside|Octyl b-D-glycopyranoside|Octyl b-glucopyranoside|Octyl-b-D-glucopyranoside|PlantaCare 810|UNII-V109WUT6RL|b-D-Glucopyranoside, octyl|b-D-Octyl glucoside|b-Octyl monoglucoside|1044708-52-2|65309-84-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042234
ARPathway2016 ARPathway2016_1121 Octyl beta-D-glucopyranoside 29836-26-8 DTXSID6042234 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Octyl beta-D-glucopyranoside 29836-26-8|Octyl beta-D-glucopyranoside|1-n-Octyl b-D-glucopyranoside|1-O-n-Octyl-b-D-glucopyranoside|1-O-octil-b-D-glucopiranosida|1-O-octyl-b-D-glucopyrannoside|1-O-Octyl-b-D-glucopyranose|1-O-Octyl-b-D-glucopyranosid|1-O-octyl-b-D-glucopyranoside|1-Octyl b-D-glucopyranoside|1-Octyl b-D-glucoside|BTB 11967|EINECS 249-887-8|Glucopyranoside, octyl, b-D-|n-Octyl b-D-glucopyranoside|n-Octyl b-D-glucoside|Octyl glucoside|Octyl b-D-glucopyranoside|Octyl b-D-glucoside|Octyl b-D-glycopyranoside|Octyl b-glucopyranoside|Octyl-b-D-glucopyranoside|PlantaCare 810|UNII-V109WUT6RL|b-D-Glucopyranoside, octyl|b-D-Octyl glucoside|b-Octyl monoglucoside|1044708-52-2|65309-84-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042234
ARPathway2016 ARPathway2016_1121 Octyl beta-D-glucopyranoside 29836-26-8 DTXSID6042234 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Octyl beta-D-glucopyranoside 29836-26-8|Octyl beta-D-glucopyranoside|1-n-Octyl b-D-glucopyranoside|1-O-n-Octyl-b-D-glucopyranoside|1-O-octil-b-D-glucopiranosida|1-O-octyl-b-D-glucopyrannoside|1-O-Octyl-b-D-glucopyranose|1-O-Octyl-b-D-glucopyranosid|1-O-octyl-b-D-glucopyranoside|1-Octyl b-D-glucopyranoside|1-Octyl b-D-glucoside|BTB 11967|EINECS 249-887-8|Glucopyranoside, octyl, b-D-|n-Octyl b-D-glucopyranoside|n-Octyl b-D-glucoside|Octyl glucoside|Octyl b-D-glucopyranoside|Octyl b-D-glucoside|Octyl b-D-glycopyranoside|Octyl b-glucopyranoside|Octyl-b-D-glucopyranoside|PlantaCare 810|UNII-V109WUT6RL|b-D-Glucopyranoside, octyl|b-D-Octyl glucoside|b-Octyl monoglucoside|1044708-52-2|65309-84-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042234
ARPathway2016 ARPathway2016_1121 Octyl beta-D-glucopyranoside 29836-26-8 DTXSID6042234 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Octyl beta-D-glucopyranoside 29836-26-8|Octyl beta-D-glucopyranoside|1-n-Octyl b-D-glucopyranoside|1-O-n-Octyl-b-D-glucopyranoside|1-O-octil-b-D-glucopiranosida|1-O-octyl-b-D-glucopyrannoside|1-O-Octyl-b-D-glucopyranose|1-O-Octyl-b-D-glucopyranosid|1-O-octyl-b-D-glucopyranoside|1-Octyl b-D-glucopyranoside|1-Octyl b-D-glucoside|BTB 11967|EINECS 249-887-8|Glucopyranoside, octyl, b-D-|n-Octyl b-D-glucopyranoside|n-Octyl b-D-glucoside|Octyl glucoside|Octyl b-D-glucopyranoside|Octyl b-D-glucoside|Octyl b-D-glycopyranoside|Octyl b-glucopyranoside|Octyl-b-D-glucopyranoside|PlantaCare 810|UNII-V109WUT6RL|b-D-Glucopyranoside, octyl|b-D-Octyl glucoside|b-Octyl monoglucoside|1044708-52-2|65309-84-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042234
ERPathway2016 ERPathway2016_1439 Octyl beta-D-glucopyranoside 29836-26-8 DTXSID6042234 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Octyl beta-D-glucopyranoside 29836-26-8|Octyl beta-D-glucopyranoside|1-n-Octyl b-D-glucopyranoside|1-O-n-Octyl-b-D-glucopyranoside|1-O-octil-b-D-glucopiranosida|1-O-octyl-b-D-glucopyrannoside|1-O-Octyl-b-D-glucopyranose|1-O-Octyl-b-D-glucopyranosid|1-O-octyl-b-D-glucopyranoside|1-Octyl b-D-glucopyranoside|1-Octyl b-D-glucoside|BTB 11967|EINECS 249-887-8|Glucopyranoside, octyl, b-D-|n-Octyl b-D-glucopyranoside|n-Octyl b-D-glucoside|Octyl glucoside|Octyl b-D-glucopyranoside|Octyl b-D-glucoside|Octyl b-D-glycopyranoside|Octyl b-glucopyranoside|Octyl-b-D-glucopyranoside|PlantaCare 810|UNII-V109WUT6RL|b-D-Glucopyranoside, octyl|b-D-Octyl glucoside|b-Octyl monoglucoside|1044708-52-2|65309-84-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042234
ERPathway2016 ERPathway2016_1439 Octyl beta-D-glucopyranoside 29836-26-8 DTXSID6042234 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Octyl beta-D-glucopyranoside 29836-26-8|Octyl beta-D-glucopyranoside|1-n-Octyl b-D-glucopyranoside|1-O-n-Octyl-b-D-glucopyranoside|1-O-octil-b-D-glucopiranosida|1-O-octyl-b-D-glucopyrannoside|1-O-Octyl-b-D-glucopyranose|1-O-Octyl-b-D-glucopyranosid|1-O-octyl-b-D-glucopyranoside|1-Octyl b-D-glucopyranoside|1-Octyl b-D-glucoside|BTB 11967|EINECS 249-887-8|Glucopyranoside, octyl, b-D-|n-Octyl b-D-glucopyranoside|n-Octyl b-D-glucoside|Octyl glucoside|Octyl b-D-glucopyranoside|Octyl b-D-glucoside|Octyl b-D-glycopyranoside|Octyl b-glucopyranoside|Octyl-b-D-glucopyranoside|PlantaCare 810|UNII-V109WUT6RL|b-D-Glucopyranoside, octyl|b-D-Octyl glucoside|b-Octyl monoglucoside|1044708-52-2|65309-84-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042234
ERPathway2016 ERPathway2016_1439 Octyl beta-D-glucopyranoside 29836-26-8 DTXSID6042234 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Octyl beta-D-glucopyranoside 29836-26-8|Octyl beta-D-glucopyranoside|1-n-Octyl b-D-glucopyranoside|1-O-n-Octyl-b-D-glucopyranoside|1-O-octil-b-D-glucopiranosida|1-O-octyl-b-D-glucopyrannoside|1-O-Octyl-b-D-glucopyranose|1-O-Octyl-b-D-glucopyranosid|1-O-octyl-b-D-glucopyranoside|1-Octyl b-D-glucopyranoside|1-Octyl b-D-glucoside|BTB 11967|EINECS 249-887-8|Glucopyranoside, octyl, b-D-|n-Octyl b-D-glucopyranoside|n-Octyl b-D-glucoside|Octyl glucoside|Octyl b-D-glucopyranoside|Octyl b-D-glucoside|Octyl b-D-glycopyranoside|Octyl b-glucopyranoside|Octyl-b-D-glucopyranoside|PlantaCare 810|UNII-V109WUT6RL|b-D-Glucopyranoside, octyl|b-D-Octyl glucoside|b-Octyl monoglucoside|1044708-52-2|65309-84-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042234
ERPathway2016 ERPathway2016_1439 Octyl beta-D-glucopyranoside 29836-26-8 DTXSID6042234 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Octyl beta-D-glucopyranoside 29836-26-8|Octyl beta-D-glucopyranoside|1-n-Octyl b-D-glucopyranoside|1-O-n-Octyl-b-D-glucopyranoside|1-O-octil-b-D-glucopiranosida|1-O-octyl-b-D-glucopyrannoside|1-O-Octyl-b-D-glucopyranose|1-O-Octyl-b-D-glucopyranosid|1-O-octyl-b-D-glucopyranoside|1-Octyl b-D-glucopyranoside|1-Octyl b-D-glucoside|BTB 11967|EINECS 249-887-8|Glucopyranoside, octyl, b-D-|n-Octyl b-D-glucopyranoside|n-Octyl b-D-glucoside|Octyl glucoside|Octyl b-D-glucopyranoside|Octyl b-D-glucoside|Octyl b-D-glycopyranoside|Octyl b-glucopyranoside|Octyl-b-D-glucopyranoside|PlantaCare 810|UNII-V109WUT6RL|b-D-Glucopyranoside, octyl|b-D-Octyl glucoside|b-Octyl monoglucoside|1044708-52-2|65309-84-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042234
ARPathway2016 ARPathway2016_654 Octyl decyl phthalate 119-07-3 DTXSID1047497 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC Octyl decyl phthalate 119-07-3|Octyl decyl phthalate|1,2-Benzenedicarboxylic acid, 1-decyl 2-octyl ester|1,2-Benzenedicarboxylic acid, decyl octyl ester|BRN 2009141|Decyl Octyl 1,2-benzenedicarboxylate|Dinopol 235|EINECS 204-295-9|n-Decyl n-octyl phthalate|n-Octyl n-decyl phthalate|n-Octyl-n-decyl phthalate|Phthalic acid, decyl octyl ester|Polycizer 532|Polycizer 562|Staflex 500|UNII-9E1KBO18K0|1323-73-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047497
ARPathway2016 ARPathway2016_654 Octyl decyl phthalate 119-07-3 DTXSID1047497 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC Octyl decyl phthalate 119-07-3|Octyl decyl phthalate|1,2-Benzenedicarboxylic acid, 1-decyl 2-octyl ester|1,2-Benzenedicarboxylic acid, decyl octyl ester|BRN 2009141|Decyl Octyl 1,2-benzenedicarboxylate|Dinopol 235|EINECS 204-295-9|n-Decyl n-octyl phthalate|n-Octyl n-decyl phthalate|n-Octyl-n-decyl phthalate|Phthalic acid, decyl octyl ester|Polycizer 532|Polycizer 562|Staflex 500|UNII-9E1KBO18K0|1323-73-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047497
ARPathway2016 ARPathway2016_654 Octyl decyl phthalate 119-07-3 DTXSID1047497 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC Octyl decyl phthalate 119-07-3|Octyl decyl phthalate|1,2-Benzenedicarboxylic acid, 1-decyl 2-octyl ester|1,2-Benzenedicarboxylic acid, decyl octyl ester|BRN 2009141|Decyl Octyl 1,2-benzenedicarboxylate|Dinopol 235|EINECS 204-295-9|n-Decyl n-octyl phthalate|n-Octyl n-decyl phthalate|n-Octyl-n-decyl phthalate|Phthalic acid, decyl octyl ester|Polycizer 532|Polycizer 562|Staflex 500|UNII-9E1KBO18K0|1323-73-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047497
ARPathway2016 ARPathway2016_654 Octyl decyl phthalate 119-07-3 DTXSID1047497 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC Octyl decyl phthalate 119-07-3|Octyl decyl phthalate|1,2-Benzenedicarboxylic acid, 1-decyl 2-octyl ester|1,2-Benzenedicarboxylic acid, decyl octyl ester|BRN 2009141|Decyl Octyl 1,2-benzenedicarboxylate|Dinopol 235|EINECS 204-295-9|n-Decyl n-octyl phthalate|n-Octyl n-decyl phthalate|n-Octyl-n-decyl phthalate|Phthalic acid, decyl octyl ester|Polycizer 532|Polycizer 562|Staflex 500|UNII-9E1KBO18K0|1323-73-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047497
ERPathway2016 ERPathway2016_1201 Octyl decyl phthalate 119-07-3 DTXSID1047497 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC Octyl decyl phthalate 119-07-3|Octyl decyl phthalate|1,2-Benzenedicarboxylic acid, 1-decyl 2-octyl ester|1,2-Benzenedicarboxylic acid, decyl octyl ester|BRN 2009141|Decyl Octyl 1,2-benzenedicarboxylate|Dinopol 235|EINECS 204-295-9|n-Decyl n-octyl phthalate|n-Octyl n-decyl phthalate|n-Octyl-n-decyl phthalate|Phthalic acid, decyl octyl ester|Polycizer 532|Polycizer 562|Staflex 500|UNII-9E1KBO18K0|1323-73-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047497
ERPathway2016 ERPathway2016_1201 Octyl decyl phthalate 119-07-3 DTXSID1047497 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC Octyl decyl phthalate 119-07-3|Octyl decyl phthalate|1,2-Benzenedicarboxylic acid, 1-decyl 2-octyl ester|1,2-Benzenedicarboxylic acid, decyl octyl ester|BRN 2009141|Decyl Octyl 1,2-benzenedicarboxylate|Dinopol 235|EINECS 204-295-9|n-Decyl n-octyl phthalate|n-Octyl n-decyl phthalate|n-Octyl-n-decyl phthalate|Phthalic acid, decyl octyl ester|Polycizer 532|Polycizer 562|Staflex 500|UNII-9E1KBO18K0|1323-73-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047497
ERPathway2016 ERPathway2016_1201 Octyl decyl phthalate 119-07-3 DTXSID1047497 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC Octyl decyl phthalate 119-07-3|Octyl decyl phthalate|1,2-Benzenedicarboxylic acid, 1-decyl 2-octyl ester|1,2-Benzenedicarboxylic acid, decyl octyl ester|BRN 2009141|Decyl Octyl 1,2-benzenedicarboxylate|Dinopol 235|EINECS 204-295-9|n-Decyl n-octyl phthalate|n-Octyl n-decyl phthalate|n-Octyl-n-decyl phthalate|Phthalic acid, decyl octyl ester|Polycizer 532|Polycizer 562|Staflex 500|UNII-9E1KBO18K0|1323-73-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047497
ERPathway2016 ERPathway2016_1201 Octyl decyl phthalate 119-07-3 DTXSID1047497 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC Octyl decyl phthalate 119-07-3|Octyl decyl phthalate|1,2-Benzenedicarboxylic acid, 1-decyl 2-octyl ester|1,2-Benzenedicarboxylic acid, decyl octyl ester|BRN 2009141|Decyl Octyl 1,2-benzenedicarboxylate|Dinopol 235|EINECS 204-295-9|n-Decyl n-octyl phthalate|n-Octyl n-decyl phthalate|n-Octyl-n-decyl phthalate|Phthalic acid, decyl octyl ester|Polycizer 532|Polycizer 562|Staflex 500|UNII-9E1KBO18K0|1323-73-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047497
ARPathway2016 ARPathway2016_6 Octyl gallate 1034-01-1 DTXSID4040713 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 4.88884856652855 uM CCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Octyl gallate 1034-01-1|Octyl gallate|4-10-00-02005|Benzoic acid, 3,4,5-trihydroxy-, octyl ester|BRN 2132305|EINECS 213-853-0|Gallic acid octyl ester|n-Octyl ester of 3,4,5-trihydroxybenzoic acid|n-Octyl gallate|NSC 97419|Oktylester kyseliny gallove|Progallin O|Stabilizer GA 8|UNII-079IIA2811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040713
ARPathway2016 ARPathway2016_6 Octyl gallate 1034-01-1 DTXSID4040713 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 8.617116828 uM CCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Octyl gallate 1034-01-1|Octyl gallate|4-10-00-02005|Benzoic acid, 3,4,5-trihydroxy-, octyl ester|BRN 2132305|EINECS 213-853-0|Gallic acid octyl ester|n-Octyl ester of 3,4,5-trihydroxybenzoic acid|n-Octyl gallate|NSC 97419|Oktylester kyseliny gallove|Progallin O|Stabilizer GA 8|UNII-079IIA2811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040713
ARPathway2016 ARPathway2016_6 Octyl gallate 1034-01-1 DTXSID4040713 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.369 Unitless CCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Octyl gallate 1034-01-1|Octyl gallate|4-10-00-02005|Benzoic acid, 3,4,5-trihydroxy-, octyl ester|BRN 2132305|EINECS 213-853-0|Gallic acid octyl ester|n-Octyl ester of 3,4,5-trihydroxybenzoic acid|n-Octyl gallate|NSC 97419|Oktylester kyseliny gallove|Progallin O|Stabilizer GA 8|UNII-079IIA2811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040713
ARPathway2016 ARPathway2016_6 Octyl gallate 1034-01-1 DTXSID4040713 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Octyl gallate 1034-01-1|Octyl gallate|4-10-00-02005|Benzoic acid, 3,4,5-trihydroxy-, octyl ester|BRN 2132305|EINECS 213-853-0|Gallic acid octyl ester|n-Octyl ester of 3,4,5-trihydroxybenzoic acid|n-Octyl gallate|NSC 97419|Oktylester kyseliny gallove|Progallin O|Stabilizer GA 8|UNII-079IIA2811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040713
ARPathway2016 ARPathway2016_6 Octyl gallate 1034-01-1 DTXSID4040713 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Octyl gallate 1034-01-1|Octyl gallate|4-10-00-02005|Benzoic acid, 3,4,5-trihydroxy-, octyl ester|BRN 2132305|EINECS 213-853-0|Gallic acid octyl ester|n-Octyl ester of 3,4,5-trihydroxybenzoic acid|n-Octyl gallate|NSC 97419|Oktylester kyseliny gallove|Progallin O|Stabilizer GA 8|UNII-079IIA2811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040713
ARPathway2016 ARPathway2016_6 Octyl gallate 1034-01-1 DTXSID4040713 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Octyl gallate 1034-01-1|Octyl gallate|4-10-00-02005|Benzoic acid, 3,4,5-trihydroxy-, octyl ester|BRN 2132305|EINECS 213-853-0|Gallic acid octyl ester|n-Octyl ester of 3,4,5-trihydroxybenzoic acid|n-Octyl gallate|NSC 97419|Oktylester kyseliny gallove|Progallin O|Stabilizer GA 8|UNII-079IIA2811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040713
ERPathway2016 ERPathway2016_16 Octyl gallate 1034-01-1 DTXSID4040713 ER Pathway Model, Agonist AC50 13.4091905761854 uM CCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Octyl gallate 1034-01-1|Octyl gallate|4-10-00-02005|Benzoic acid, 3,4,5-trihydroxy-, octyl ester|BRN 2132305|EINECS 213-853-0|Gallic acid octyl ester|n-Octyl ester of 3,4,5-trihydroxybenzoic acid|n-Octyl gallate|NSC 97419|Oktylester kyseliny gallove|Progallin O|Stabilizer GA 8|UNII-079IIA2811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040713
ERPathway2016 ERPathway2016_16 Octyl gallate 1034-01-1 DTXSID4040713 ER Pathway Model, Agonist ACC 10.0554681730479 uM CCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Octyl gallate 1034-01-1|Octyl gallate|4-10-00-02005|Benzoic acid, 3,4,5-trihydroxy-, octyl ester|BRN 2132305|EINECS 213-853-0|Gallic acid octyl ester|n-Octyl ester of 3,4,5-trihydroxybenzoic acid|n-Octyl gallate|NSC 97419|Oktylester kyseliny gallove|Progallin O|Stabilizer GA 8|UNII-079IIA2811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040713
ERPathway2016 ERPathway2016_16 Octyl gallate 1034-01-1 DTXSID4040713 ER Pathway Model, Agonist Model Score 0.0144 Unitless CCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Octyl gallate 1034-01-1|Octyl gallate|4-10-00-02005|Benzoic acid, 3,4,5-trihydroxy-, octyl ester|BRN 2132305|EINECS 213-853-0|Gallic acid octyl ester|n-Octyl ester of 3,4,5-trihydroxybenzoic acid|n-Octyl gallate|NSC 97419|Oktylester kyseliny gallove|Progallin O|Stabilizer GA 8|UNII-079IIA2811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040713
ERPathway2016 ERPathway2016_16 Octyl gallate 1034-01-1 DTXSID4040713 ER Pathway Model, Antagonist Model Score 0.0768 Unitless CCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Octyl gallate 1034-01-1|Octyl gallate|4-10-00-02005|Benzoic acid, 3,4,5-trihydroxy-, octyl ester|BRN 2132305|EINECS 213-853-0|Gallic acid octyl ester|n-Octyl ester of 3,4,5-trihydroxybenzoic acid|n-Octyl gallate|NSC 97419|Oktylester kyseliny gallove|Progallin O|Stabilizer GA 8|UNII-079IIA2811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040713
ERPathway2016 ERPathway2016_16 Octyl gallate 1034-01-1 DTXSID4040713 ER Pathway Model, Agonist Call Active Unitless CCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Octyl gallate 1034-01-1|Octyl gallate|4-10-00-02005|Benzoic acid, 3,4,5-trihydroxy-, octyl ester|BRN 2132305|EINECS 213-853-0|Gallic acid octyl ester|n-Octyl ester of 3,4,5-trihydroxybenzoic acid|n-Octyl gallate|NSC 97419|Oktylester kyseliny gallove|Progallin O|Stabilizer GA 8|UNII-079IIA2811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040713
ERPathway2016 ERPathway2016_16 Octyl gallate 1034-01-1 DTXSID4040713 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 Octyl gallate 1034-01-1|Octyl gallate|4-10-00-02005|Benzoic acid, 3,4,5-trihydroxy-, octyl ester|BRN 2132305|EINECS 213-853-0|Gallic acid octyl ester|n-Octyl ester of 3,4,5-trihydroxybenzoic acid|n-Octyl gallate|NSC 97419|Oktylester kyseliny gallove|Progallin O|Stabilizer GA 8|UNII-079IIA2811 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4040713
ARPathway2016 ARPathway2016_20 Octylbicycloheptenedicarboximide 113-48-4 DTXSID6032562 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 40.4252588971223 uM CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O Octylbicycloheptenedicarboximide 113-48-4|Octylbicycloheptenedicarboximide|4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-|5-21-10-00184|5-Norbornene-2,3-dicarboximide, N-(2-ethylhexyl)-|Bicyclo(2.2.1)heptene-2-dicarboxylic acid, 2-ethylhexylimide|BRN 0025024|Carboximide|Caswell No. 613|Dicarboximide|EINECS 204-029-1|endo Methylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexylimide|EPA Pesticide Chemical Code 057001|METHANO(4,7)-ISOINDOLE(1H)-1,3(2H)-DIONE, 2-(2-ETHYLHEXYL)-3A,4,7,7A-TETRAHYDRO|MGK|MGK 264|MGK repellent 264|MGK-264|N-(2-AETHYLHEXYL)-BICYCLO(2.2.1)HEPT-5-EN-2,3-DICARBOXIMID|N-(2-ethylexyl)-3,6-endo-methylene-1,2,3,6-tetrahydrophthalimide|N-(2-Ethylhexyl)-5-norbornene-2,3-dicarboximide|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-en-2,3-dicarboximid|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-ene-2,3-dicarboximide|N-(2-ethylhexyl)-bicyclo[2,2,1]hepta-2-ene-5,6-dicarboxyimide|N-(2-Ethylhexyl)bicyclo-(2,2,1)-5-heptene-2,3-dicarboximide|N-(2-Ethy|145608-27-1|16916-65-7|16916-66-8|56195-42-7|70322-82-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032562
ARPathway2016 ARPathway2016_20 Octylbicycloheptenedicarboximide 113-48-4 DTXSID6032562 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 53.6372115683102 uM CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O Octylbicycloheptenedicarboximide 113-48-4|Octylbicycloheptenedicarboximide|4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-|5-21-10-00184|5-Norbornene-2,3-dicarboximide, N-(2-ethylhexyl)-|Bicyclo(2.2.1)heptene-2-dicarboxylic acid, 2-ethylhexylimide|BRN 0025024|Carboximide|Caswell No. 613|Dicarboximide|EINECS 204-029-1|endo Methylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexylimide|EPA Pesticide Chemical Code 057001|METHANO(4,7)-ISOINDOLE(1H)-1,3(2H)-DIONE, 2-(2-ETHYLHEXYL)-3A,4,7,7A-TETRAHYDRO|MGK|MGK 264|MGK repellent 264|MGK-264|N-(2-AETHYLHEXYL)-BICYCLO(2.2.1)HEPT-5-EN-2,3-DICARBOXIMID|N-(2-ethylexyl)-3,6-endo-methylene-1,2,3,6-tetrahydrophthalimide|N-(2-Ethylhexyl)-5-norbornene-2,3-dicarboximide|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-en-2,3-dicarboximid|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-ene-2,3-dicarboximide|N-(2-ethylhexyl)-bicyclo[2,2,1]hepta-2-ene-5,6-dicarboxyimide|N-(2-Ethylhexyl)bicyclo-(2,2,1)-5-heptene-2,3-dicarboximide|N-(2-Ethy|145608-27-1|16916-65-7|16916-66-8|56195-42-7|70322-82-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032562
ARPathway2016 ARPathway2016_20 Octylbicycloheptenedicarboximide 113-48-4 DTXSID6032562 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0935 Unitless CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O Octylbicycloheptenedicarboximide 113-48-4|Octylbicycloheptenedicarboximide|4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-|5-21-10-00184|5-Norbornene-2,3-dicarboximide, N-(2-ethylhexyl)-|Bicyclo(2.2.1)heptene-2-dicarboxylic acid, 2-ethylhexylimide|BRN 0025024|Carboximide|Caswell No. 613|Dicarboximide|EINECS 204-029-1|endo Methylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexylimide|EPA Pesticide Chemical Code 057001|METHANO(4,7)-ISOINDOLE(1H)-1,3(2H)-DIONE, 2-(2-ETHYLHEXYL)-3A,4,7,7A-TETRAHYDRO|MGK|MGK 264|MGK repellent 264|MGK-264|N-(2-AETHYLHEXYL)-BICYCLO(2.2.1)HEPT-5-EN-2,3-DICARBOXIMID|N-(2-ethylexyl)-3,6-endo-methylene-1,2,3,6-tetrahydrophthalimide|N-(2-Ethylhexyl)-5-norbornene-2,3-dicarboximide|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-en-2,3-dicarboximid|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-ene-2,3-dicarboximide|N-(2-ethylhexyl)-bicyclo[2,2,1]hepta-2-ene-5,6-dicarboxyimide|N-(2-Ethylhexyl)bicyclo-(2,2,1)-5-heptene-2,3-dicarboximide|N-(2-Ethy|145608-27-1|16916-65-7|16916-66-8|56195-42-7|70322-82-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032562
ARPathway2016 ARPathway2016_20 Octylbicycloheptenedicarboximide 113-48-4 DTXSID6032562 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O Octylbicycloheptenedicarboximide 113-48-4|Octylbicycloheptenedicarboximide|4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-|5-21-10-00184|5-Norbornene-2,3-dicarboximide, N-(2-ethylhexyl)-|Bicyclo(2.2.1)heptene-2-dicarboxylic acid, 2-ethylhexylimide|BRN 0025024|Carboximide|Caswell No. 613|Dicarboximide|EINECS 204-029-1|endo Methylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexylimide|EPA Pesticide Chemical Code 057001|METHANO(4,7)-ISOINDOLE(1H)-1,3(2H)-DIONE, 2-(2-ETHYLHEXYL)-3A,4,7,7A-TETRAHYDRO|MGK|MGK 264|MGK repellent 264|MGK-264|N-(2-AETHYLHEXYL)-BICYCLO(2.2.1)HEPT-5-EN-2,3-DICARBOXIMID|N-(2-ethylexyl)-3,6-endo-methylene-1,2,3,6-tetrahydrophthalimide|N-(2-Ethylhexyl)-5-norbornene-2,3-dicarboximide|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-en-2,3-dicarboximid|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-ene-2,3-dicarboximide|N-(2-ethylhexyl)-bicyclo[2,2,1]hepta-2-ene-5,6-dicarboxyimide|N-(2-Ethylhexyl)bicyclo-(2,2,1)-5-heptene-2,3-dicarboximide|N-(2-Ethy|145608-27-1|16916-65-7|16916-66-8|56195-42-7|70322-82-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032562
ARPathway2016 ARPathway2016_20 Octylbicycloheptenedicarboximide 113-48-4 DTXSID6032562 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O Octylbicycloheptenedicarboximide 113-48-4|Octylbicycloheptenedicarboximide|4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-|5-21-10-00184|5-Norbornene-2,3-dicarboximide, N-(2-ethylhexyl)-|Bicyclo(2.2.1)heptene-2-dicarboxylic acid, 2-ethylhexylimide|BRN 0025024|Carboximide|Caswell No. 613|Dicarboximide|EINECS 204-029-1|endo Methylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexylimide|EPA Pesticide Chemical Code 057001|METHANO(4,7)-ISOINDOLE(1H)-1,3(2H)-DIONE, 2-(2-ETHYLHEXYL)-3A,4,7,7A-TETRAHYDRO|MGK|MGK 264|MGK repellent 264|MGK-264|N-(2-AETHYLHEXYL)-BICYCLO(2.2.1)HEPT-5-EN-2,3-DICARBOXIMID|N-(2-ethylexyl)-3,6-endo-methylene-1,2,3,6-tetrahydrophthalimide|N-(2-Ethylhexyl)-5-norbornene-2,3-dicarboximide|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-en-2,3-dicarboximid|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-ene-2,3-dicarboximide|N-(2-ethylhexyl)-bicyclo[2,2,1]hepta-2-ene-5,6-dicarboxyimide|N-(2-Ethylhexyl)bicyclo-(2,2,1)-5-heptene-2,3-dicarboximide|N-(2-Ethy|145608-27-1|16916-65-7|16916-66-8|56195-42-7|70322-82-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032562
ARPathway2016 ARPathway2016_20 Octylbicycloheptenedicarboximide 113-48-4 DTXSID6032562 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O Octylbicycloheptenedicarboximide 113-48-4|Octylbicycloheptenedicarboximide|4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-|5-21-10-00184|5-Norbornene-2,3-dicarboximide, N-(2-ethylhexyl)-|Bicyclo(2.2.1)heptene-2-dicarboxylic acid, 2-ethylhexylimide|BRN 0025024|Carboximide|Caswell No. 613|Dicarboximide|EINECS 204-029-1|endo Methylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexylimide|EPA Pesticide Chemical Code 057001|METHANO(4,7)-ISOINDOLE(1H)-1,3(2H)-DIONE, 2-(2-ETHYLHEXYL)-3A,4,7,7A-TETRAHYDRO|MGK|MGK 264|MGK repellent 264|MGK-264|N-(2-AETHYLHEXYL)-BICYCLO(2.2.1)HEPT-5-EN-2,3-DICARBOXIMID|N-(2-ethylexyl)-3,6-endo-methylene-1,2,3,6-tetrahydrophthalimide|N-(2-Ethylhexyl)-5-norbornene-2,3-dicarboximide|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-en-2,3-dicarboximid|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-ene-2,3-dicarboximide|N-(2-ethylhexyl)-bicyclo[2,2,1]hepta-2-ene-5,6-dicarboxyimide|N-(2-Ethylhexyl)bicyclo-(2,2,1)-5-heptene-2,3-dicarboximide|N-(2-Ethy|145608-27-1|16916-65-7|16916-66-8|56195-42-7|70322-82-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032562
ERPathway2016 ERPathway2016_683 Octylbicycloheptenedicarboximide 113-48-4 DTXSID6032562 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O Octylbicycloheptenedicarboximide 113-48-4|Octylbicycloheptenedicarboximide|4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-|5-21-10-00184|5-Norbornene-2,3-dicarboximide, N-(2-ethylhexyl)-|Bicyclo(2.2.1)heptene-2-dicarboxylic acid, 2-ethylhexylimide|BRN 0025024|Carboximide|Caswell No. 613|Dicarboximide|EINECS 204-029-1|endo Methylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexylimide|EPA Pesticide Chemical Code 057001|METHANO(4,7)-ISOINDOLE(1H)-1,3(2H)-DIONE, 2-(2-ETHYLHEXYL)-3A,4,7,7A-TETRAHYDRO|MGK|MGK 264|MGK repellent 264|MGK-264|N-(2-AETHYLHEXYL)-BICYCLO(2.2.1)HEPT-5-EN-2,3-DICARBOXIMID|N-(2-ethylexyl)-3,6-endo-methylene-1,2,3,6-tetrahydrophthalimide|N-(2-Ethylhexyl)-5-norbornene-2,3-dicarboximide|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-en-2,3-dicarboximid|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-ene-2,3-dicarboximide|N-(2-ethylhexyl)-bicyclo[2,2,1]hepta-2-ene-5,6-dicarboxyimide|N-(2-Ethylhexyl)bicyclo-(2,2,1)-5-heptene-2,3-dicarboximide|N-(2-Ethy|145608-27-1|16916-65-7|16916-66-8|56195-42-7|70322-82-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032562
ERPathway2016 ERPathway2016_683 Octylbicycloheptenedicarboximide 113-48-4 DTXSID6032562 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O Octylbicycloheptenedicarboximide 113-48-4|Octylbicycloheptenedicarboximide|4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-|5-21-10-00184|5-Norbornene-2,3-dicarboximide, N-(2-ethylhexyl)-|Bicyclo(2.2.1)heptene-2-dicarboxylic acid, 2-ethylhexylimide|BRN 0025024|Carboximide|Caswell No. 613|Dicarboximide|EINECS 204-029-1|endo Methylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexylimide|EPA Pesticide Chemical Code 057001|METHANO(4,7)-ISOINDOLE(1H)-1,3(2H)-DIONE, 2-(2-ETHYLHEXYL)-3A,4,7,7A-TETRAHYDRO|MGK|MGK 264|MGK repellent 264|MGK-264|N-(2-AETHYLHEXYL)-BICYCLO(2.2.1)HEPT-5-EN-2,3-DICARBOXIMID|N-(2-ethylexyl)-3,6-endo-methylene-1,2,3,6-tetrahydrophthalimide|N-(2-Ethylhexyl)-5-norbornene-2,3-dicarboximide|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-en-2,3-dicarboximid|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-ene-2,3-dicarboximide|N-(2-ethylhexyl)-bicyclo[2,2,1]hepta-2-ene-5,6-dicarboxyimide|N-(2-Ethylhexyl)bicyclo-(2,2,1)-5-heptene-2,3-dicarboximide|N-(2-Ethy|145608-27-1|16916-65-7|16916-66-8|56195-42-7|70322-82-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032562
ERPathway2016 ERPathway2016_683 Octylbicycloheptenedicarboximide 113-48-4 DTXSID6032562 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O Octylbicycloheptenedicarboximide 113-48-4|Octylbicycloheptenedicarboximide|4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-|5-21-10-00184|5-Norbornene-2,3-dicarboximide, N-(2-ethylhexyl)-|Bicyclo(2.2.1)heptene-2-dicarboxylic acid, 2-ethylhexylimide|BRN 0025024|Carboximide|Caswell No. 613|Dicarboximide|EINECS 204-029-1|endo Methylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexylimide|EPA Pesticide Chemical Code 057001|METHANO(4,7)-ISOINDOLE(1H)-1,3(2H)-DIONE, 2-(2-ETHYLHEXYL)-3A,4,7,7A-TETRAHYDRO|MGK|MGK 264|MGK repellent 264|MGK-264|N-(2-AETHYLHEXYL)-BICYCLO(2.2.1)HEPT-5-EN-2,3-DICARBOXIMID|N-(2-ethylexyl)-3,6-endo-methylene-1,2,3,6-tetrahydrophthalimide|N-(2-Ethylhexyl)-5-norbornene-2,3-dicarboximide|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-en-2,3-dicarboximid|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-ene-2,3-dicarboximide|N-(2-ethylhexyl)-bicyclo[2,2,1]hepta-2-ene-5,6-dicarboxyimide|N-(2-Ethylhexyl)bicyclo-(2,2,1)-5-heptene-2,3-dicarboximide|N-(2-Ethy|145608-27-1|16916-65-7|16916-66-8|56195-42-7|70322-82-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032562
ERPathway2016 ERPathway2016_683 Octylbicycloheptenedicarboximide 113-48-4 DTXSID6032562 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O Octylbicycloheptenedicarboximide 113-48-4|Octylbicycloheptenedicarboximide|4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-|5-21-10-00184|5-Norbornene-2,3-dicarboximide, N-(2-ethylhexyl)-|Bicyclo(2.2.1)heptene-2-dicarboxylic acid, 2-ethylhexylimide|BRN 0025024|Carboximide|Caswell No. 613|Dicarboximide|EINECS 204-029-1|endo Methylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexyl imide|Endomethylenetetrahydrophthalic acid, N-2-ethylhexylimide|EPA Pesticide Chemical Code 057001|METHANO(4,7)-ISOINDOLE(1H)-1,3(2H)-DIONE, 2-(2-ETHYLHEXYL)-3A,4,7,7A-TETRAHYDRO|MGK|MGK 264|MGK repellent 264|MGK-264|N-(2-AETHYLHEXYL)-BICYCLO(2.2.1)HEPT-5-EN-2,3-DICARBOXIMID|N-(2-ethylexyl)-3,6-endo-methylene-1,2,3,6-tetrahydrophthalimide|N-(2-Ethylhexyl)-5-norbornene-2,3-dicarboximide|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-en-2,3-dicarboximid|N-(2-Ethylhexyl)-8,9,10-trinorborn-5-ene-2,3-dicarboximide|N-(2-ethylhexyl)-bicyclo[2,2,1]hepta-2-ene-5,6-dicarboxyimide|N-(2-Ethylhexyl)bicyclo-(2,2,1)-5-heptene-2,3-dicarboximide|N-(2-Ethy|145608-27-1|16916-65-7|16916-66-8|56195-42-7|70322-82-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032562
ARPathway2016 ARPathway2016_694 Octylparaben 1219-38-1 DTXSID0047957 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCOC(=O)C1=CC=C(O)C=C1 Octylparaben 1219-38-1|Octylparaben|BRN 2807114|EINECS 214-943-2|NSC 309820|Octyl p-hydroxybenzoate|p-Hydroxybenzoic acid octyl ester|p-Oxybenzoesaureoctylester|UNII-4UVK431K6B https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047957
ARPathway2016 ARPathway2016_694 Octylparaben 1219-38-1 DTXSID0047957 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCOC(=O)C1=CC=C(O)C=C1 Octylparaben 1219-38-1|Octylparaben|BRN 2807114|EINECS 214-943-2|NSC 309820|Octyl p-hydroxybenzoate|p-Hydroxybenzoic acid octyl ester|p-Oxybenzoesaureoctylester|UNII-4UVK431K6B https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047957
ARPathway2016 ARPathway2016_694 Octylparaben 1219-38-1 DTXSID0047957 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCOC(=O)C1=CC=C(O)C=C1 Octylparaben 1219-38-1|Octylparaben|BRN 2807114|EINECS 214-943-2|NSC 309820|Octyl p-hydroxybenzoate|p-Hydroxybenzoic acid octyl ester|p-Oxybenzoesaureoctylester|UNII-4UVK431K6B https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047957
ARPathway2016 ARPathway2016_694 Octylparaben 1219-38-1 DTXSID0047957 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCOC(=O)C1=CC=C(O)C=C1 Octylparaben 1219-38-1|Octylparaben|BRN 2807114|EINECS 214-943-2|NSC 309820|Octyl p-hydroxybenzoate|p-Hydroxybenzoic acid octyl ester|p-Oxybenzoesaureoctylester|UNII-4UVK431K6B https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047957
ERPathway2016 ERPathway2016_185 Octylparaben 1219-38-1 DTXSID0047957 Agonist ER Pathway Model, Antagonist AC50 5.65238876937856 uM CCCCCCCCOC(=O)C1=CC=C(O)C=C1 Octylparaben 1219-38-1|Octylparaben|BRN 2807114|EINECS 214-943-2|NSC 309820|Octyl p-hydroxybenzoate|p-Hydroxybenzoic acid octyl ester|p-Oxybenzoesaureoctylester|UNII-4UVK431K6B https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047957
ERPathway2016 ERPathway2016_185 Octylparaben 1219-38-1 DTXSID0047957 Agonist ER Pathway Model, Antagonist ACC 3.39650353835828 uM CCCCCCCCOC(=O)C1=CC=C(O)C=C1 Octylparaben 1219-38-1|Octylparaben|BRN 2807114|EINECS 214-943-2|NSC 309820|Octyl p-hydroxybenzoate|p-Hydroxybenzoic acid octyl ester|p-Oxybenzoesaureoctylester|UNII-4UVK431K6B https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047957
ERPathway2016 ERPathway2016_185 Octylparaben 1219-38-1 DTXSID0047957 Agonist ER Pathway Model, Agonist Model Score 0.268 Unitless CCCCCCCCOC(=O)C1=CC=C(O)C=C1 Octylparaben 1219-38-1|Octylparaben|BRN 2807114|EINECS 214-943-2|NSC 309820|Octyl p-hydroxybenzoate|p-Hydroxybenzoic acid octyl ester|p-Oxybenzoesaureoctylester|UNII-4UVK431K6B https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047957
ERPathway2016 ERPathway2016_185 Octylparaben 1219-38-1 DTXSID0047957 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCOC(=O)C1=CC=C(O)C=C1 Octylparaben 1219-38-1|Octylparaben|BRN 2807114|EINECS 214-943-2|NSC 309820|Octyl p-hydroxybenzoate|p-Hydroxybenzoic acid octyl ester|p-Oxybenzoesaureoctylester|UNII-4UVK431K6B https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047957
ERPathway2016 ERPathway2016_185 Octylparaben 1219-38-1 DTXSID0047957 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCOC(=O)C1=CC=C(O)C=C1 Octylparaben 1219-38-1|Octylparaben|BRN 2807114|EINECS 214-943-2|NSC 309820|Octyl p-hydroxybenzoate|p-Hydroxybenzoic acid octyl ester|p-Oxybenzoesaureoctylester|UNII-4UVK431K6B https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047957
ERPathway2016 ERPathway2016_185 Octylparaben 1219-38-1 DTXSID0047957 Agonist ER Pathway Model, Antagonist Call Active Unitless CCCCCCCCOC(=O)C1=CC=C(O)C=C1 Octylparaben 1219-38-1|Octylparaben|BRN 2807114|EINECS 214-943-2|NSC 309820|Octyl p-hydroxybenzoate|p-Hydroxybenzoic acid octyl ester|p-Oxybenzoesaureoctylester|UNII-4UVK431K6B https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047957
ARPathway2016 ARPathway2016_1745 o-Ethoxyphenol 94-71-3 DTXSID2042276 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC1=C(O)C=CC=C1 o-Ethoxyphenol 94-71-3|o-Ethoxyphenol|2-Ethyloxyphenol|Catechol monoethyl ether|EINECS 202-358-5|Guethol|NSC 1809|Phenol, 2-ethoxy-|UNII-878IW8P9PW https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042276
ARPathway2016 ARPathway2016_1745 o-Ethoxyphenol 94-71-3 DTXSID2042276 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC1=C(O)C=CC=C1 o-Ethoxyphenol 94-71-3|o-Ethoxyphenol|2-Ethyloxyphenol|Catechol monoethyl ether|EINECS 202-358-5|Guethol|NSC 1809|Phenol, 2-ethoxy-|UNII-878IW8P9PW https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042276
ARPathway2016 ARPathway2016_1745 o-Ethoxyphenol 94-71-3 DTXSID2042276 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC1=C(O)C=CC=C1 o-Ethoxyphenol 94-71-3|o-Ethoxyphenol|2-Ethyloxyphenol|Catechol monoethyl ether|EINECS 202-358-5|Guethol|NSC 1809|Phenol, 2-ethoxy-|UNII-878IW8P9PW https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042276
ARPathway2016 ARPathway2016_1745 o-Ethoxyphenol 94-71-3 DTXSID2042276 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC1=C(O)C=CC=C1 o-Ethoxyphenol 94-71-3|o-Ethoxyphenol|2-Ethyloxyphenol|Catechol monoethyl ether|EINECS 202-358-5|Guethol|NSC 1809|Phenol, 2-ethoxy-|UNII-878IW8P9PW https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042276
ERPathway2016 ERPathway2016_975 o-Ethoxyphenol 94-71-3 DTXSID2042276 ER Pathway Model, Agonist Model Score 0 Unitless CCOC1=C(O)C=CC=C1 o-Ethoxyphenol 94-71-3|o-Ethoxyphenol|2-Ethyloxyphenol|Catechol monoethyl ether|EINECS 202-358-5|Guethol|NSC 1809|Phenol, 2-ethoxy-|UNII-878IW8P9PW https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042276
ERPathway2016 ERPathway2016_975 o-Ethoxyphenol 94-71-3 DTXSID2042276 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC1=C(O)C=CC=C1 o-Ethoxyphenol 94-71-3|o-Ethoxyphenol|2-Ethyloxyphenol|Catechol monoethyl ether|EINECS 202-358-5|Guethol|NSC 1809|Phenol, 2-ethoxy-|UNII-878IW8P9PW https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042276
ERPathway2016 ERPathway2016_975 o-Ethoxyphenol 94-71-3 DTXSID2042276 ER Pathway Model, Agonist Call Inactive Unitless CCOC1=C(O)C=CC=C1 o-Ethoxyphenol 94-71-3|o-Ethoxyphenol|2-Ethyloxyphenol|Catechol monoethyl ether|EINECS 202-358-5|Guethol|NSC 1809|Phenol, 2-ethoxy-|UNII-878IW8P9PW https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042276
ERPathway2016 ERPathway2016_975 o-Ethoxyphenol 94-71-3 DTXSID2042276 ER Pathway Model, Antagonist Call Inactive Unitless CCOC1=C(O)C=CC=C1 o-Ethoxyphenol 94-71-3|o-Ethoxyphenol|2-Ethyloxyphenol|Catechol monoethyl ether|EINECS 202-358-5|Guethol|NSC 1809|Phenol, 2-ethoxy-|UNII-878IW8P9PW https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042276
ARPathway2016 ARPathway2016_987 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5 DTXSID7022174 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5|O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate|218-276-8|Benzenephosphonic acid, thiono-, ethyl-p-nitrophenyl ester|Benzenephosphothionic acid, ethyl-4-nitrophenyl ester|BRN 2542580|Caswell No. 454|EC No.: 218-276-8|EINECS 218-276-8|EPN|EPN 300|Ethoxy-4-nitrophenoxyphenylphosphine sulfide|Ethyl (p-nitrophenyl)thionobenzenephosphonate|ethyl p-nitrophenyl benzenethionophosphonate|Ethyl p-nitrophenyl benzenethiophosphate|Ethyl p-nitrophenyl benzenethiophosphonate|Ethyl p-nitrophenyl phenylphosphonothioate|Ethyl p-nitrophenyl thionobenzenephosphate|Ethyl p-nitrophenyl thionobenzenephosphonate|Ethyl p-nitrophenylthiobenzene phosphonate|Ethyl-p-nitrophenylthionobenzenephosphate|feniltiofosfato de O-etilo y O-4-nitrofenilo|NSC 404840|NSC 8943|O-(4-Nitrophenyl) O-ethyl phenyl thiophosphonate|O-Aethyl-O-(4-nitro-phenyl)-phenyl-monothiophosphonat|O-Ethyl O-(4-nitrophenyl) benzenethionophosphonate|O-Ethyl O-(4-nitrophenyl) phenylphosphonothioate|O-Ethyl O-(4-nitrophenyl)benzenethionophosphonate|O-ethyl O-(4-nitrophenyl)phenylphosphonothioate|O-Ethyl O-(p-nitrophenyl|65580-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022174
ARPathway2016 ARPathway2016_987 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5 DTXSID7022174 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=S)(OC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5|O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate|218-276-8|Benzenephosphonic acid, thiono-, ethyl-p-nitrophenyl ester|Benzenephosphothionic acid, ethyl-4-nitrophenyl ester|BRN 2542580|Caswell No. 454|EC No.: 218-276-8|EINECS 218-276-8|EPN|EPN 300|Ethoxy-4-nitrophenoxyphenylphosphine sulfide|Ethyl (p-nitrophenyl)thionobenzenephosphonate|ethyl p-nitrophenyl benzenethionophosphonate|Ethyl p-nitrophenyl benzenethiophosphate|Ethyl p-nitrophenyl benzenethiophosphonate|Ethyl p-nitrophenyl phenylphosphonothioate|Ethyl p-nitrophenyl thionobenzenephosphate|Ethyl p-nitrophenyl thionobenzenephosphonate|Ethyl p-nitrophenylthiobenzene phosphonate|Ethyl-p-nitrophenylthionobenzenephosphate|feniltiofosfato de O-etilo y O-4-nitrofenilo|NSC 404840|NSC 8943|O-(4-Nitrophenyl) O-ethyl phenyl thiophosphonate|O-Aethyl-O-(4-nitro-phenyl)-phenyl-monothiophosphonat|O-Ethyl O-(4-nitrophenyl) benzenethionophosphonate|O-Ethyl O-(4-nitrophenyl) phenylphosphonothioate|O-Ethyl O-(4-nitrophenyl)benzenethionophosphonate|O-ethyl O-(4-nitrophenyl)phenylphosphonothioate|O-Ethyl O-(p-nitrophenyl|65580-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022174
ARPathway2016 ARPathway2016_987 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5 DTXSID7022174 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5|O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate|218-276-8|Benzenephosphonic acid, thiono-, ethyl-p-nitrophenyl ester|Benzenephosphothionic acid, ethyl-4-nitrophenyl ester|BRN 2542580|Caswell No. 454|EC No.: 218-276-8|EINECS 218-276-8|EPN|EPN 300|Ethoxy-4-nitrophenoxyphenylphosphine sulfide|Ethyl (p-nitrophenyl)thionobenzenephosphonate|ethyl p-nitrophenyl benzenethionophosphonate|Ethyl p-nitrophenyl benzenethiophosphate|Ethyl p-nitrophenyl benzenethiophosphonate|Ethyl p-nitrophenyl phenylphosphonothioate|Ethyl p-nitrophenyl thionobenzenephosphate|Ethyl p-nitrophenyl thionobenzenephosphonate|Ethyl p-nitrophenylthiobenzene phosphonate|Ethyl-p-nitrophenylthionobenzenephosphate|feniltiofosfato de O-etilo y O-4-nitrofenilo|NSC 404840|NSC 8943|O-(4-Nitrophenyl) O-ethyl phenyl thiophosphonate|O-Aethyl-O-(4-nitro-phenyl)-phenyl-monothiophosphonat|O-Ethyl O-(4-nitrophenyl) benzenethionophosphonate|O-Ethyl O-(4-nitrophenyl) phenylphosphonothioate|O-Ethyl O-(4-nitrophenyl)benzenethionophosphonate|O-ethyl O-(4-nitrophenyl)phenylphosphonothioate|O-Ethyl O-(p-nitrophenyl|65580-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022174
ARPathway2016 ARPathway2016_987 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5 DTXSID7022174 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5|O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate|218-276-8|Benzenephosphonic acid, thiono-, ethyl-p-nitrophenyl ester|Benzenephosphothionic acid, ethyl-4-nitrophenyl ester|BRN 2542580|Caswell No. 454|EC No.: 218-276-8|EINECS 218-276-8|EPN|EPN 300|Ethoxy-4-nitrophenoxyphenylphosphine sulfide|Ethyl (p-nitrophenyl)thionobenzenephosphonate|ethyl p-nitrophenyl benzenethionophosphonate|Ethyl p-nitrophenyl benzenethiophosphate|Ethyl p-nitrophenyl benzenethiophosphonate|Ethyl p-nitrophenyl phenylphosphonothioate|Ethyl p-nitrophenyl thionobenzenephosphate|Ethyl p-nitrophenyl thionobenzenephosphonate|Ethyl p-nitrophenylthiobenzene phosphonate|Ethyl-p-nitrophenylthionobenzenephosphate|feniltiofosfato de O-etilo y O-4-nitrofenilo|NSC 404840|NSC 8943|O-(4-Nitrophenyl) O-ethyl phenyl thiophosphonate|O-Aethyl-O-(4-nitro-phenyl)-phenyl-monothiophosphonat|O-Ethyl O-(4-nitrophenyl) benzenethionophosphonate|O-Ethyl O-(4-nitrophenyl) phenylphosphonothioate|O-Ethyl O-(4-nitrophenyl)benzenethionophosphonate|O-ethyl O-(4-nitrophenyl)phenylphosphonothioate|O-Ethyl O-(p-nitrophenyl|65580-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022174
ERPathway2016 ERPathway2016_248 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5 DTXSID7022174 ER Pathway Model, Antagonist AC50 16.1278366855654 uM CCOP(=S)(OC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5|O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate|218-276-8|Benzenephosphonic acid, thiono-, ethyl-p-nitrophenyl ester|Benzenephosphothionic acid, ethyl-4-nitrophenyl ester|BRN 2542580|Caswell No. 454|EC No.: 218-276-8|EINECS 218-276-8|EPN|EPN 300|Ethoxy-4-nitrophenoxyphenylphosphine sulfide|Ethyl (p-nitrophenyl)thionobenzenephosphonate|ethyl p-nitrophenyl benzenethionophosphonate|Ethyl p-nitrophenyl benzenethiophosphate|Ethyl p-nitrophenyl benzenethiophosphonate|Ethyl p-nitrophenyl phenylphosphonothioate|Ethyl p-nitrophenyl thionobenzenephosphate|Ethyl p-nitrophenyl thionobenzenephosphonate|Ethyl p-nitrophenylthiobenzene phosphonate|Ethyl-p-nitrophenylthionobenzenephosphate|feniltiofosfato de O-etilo y O-4-nitrofenilo|NSC 404840|NSC 8943|O-(4-Nitrophenyl) O-ethyl phenyl thiophosphonate|O-Aethyl-O-(4-nitro-phenyl)-phenyl-monothiophosphonat|O-Ethyl O-(4-nitrophenyl) benzenethionophosphonate|O-Ethyl O-(4-nitrophenyl) phenylphosphonothioate|O-Ethyl O-(4-nitrophenyl)benzenethionophosphonate|O-ethyl O-(4-nitrophenyl)phenylphosphonothioate|O-Ethyl O-(p-nitrophenyl|65580-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022174
ERPathway2016 ERPathway2016_248 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5 DTXSID7022174 ER Pathway Model, Antagonist ACC 16.671657495438 uM CCOP(=S)(OC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5|O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate|218-276-8|Benzenephosphonic acid, thiono-, ethyl-p-nitrophenyl ester|Benzenephosphothionic acid, ethyl-4-nitrophenyl ester|BRN 2542580|Caswell No. 454|EC No.: 218-276-8|EINECS 218-276-8|EPN|EPN 300|Ethoxy-4-nitrophenoxyphenylphosphine sulfide|Ethyl (p-nitrophenyl)thionobenzenephosphonate|ethyl p-nitrophenyl benzenethionophosphonate|Ethyl p-nitrophenyl benzenethiophosphate|Ethyl p-nitrophenyl benzenethiophosphonate|Ethyl p-nitrophenyl phenylphosphonothioate|Ethyl p-nitrophenyl thionobenzenephosphate|Ethyl p-nitrophenyl thionobenzenephosphonate|Ethyl p-nitrophenylthiobenzene phosphonate|Ethyl-p-nitrophenylthionobenzenephosphate|feniltiofosfato de O-etilo y O-4-nitrofenilo|NSC 404840|NSC 8943|O-(4-Nitrophenyl) O-ethyl phenyl thiophosphonate|O-Aethyl-O-(4-nitro-phenyl)-phenyl-monothiophosphonat|O-Ethyl O-(4-nitrophenyl) benzenethionophosphonate|O-Ethyl O-(4-nitrophenyl) phenylphosphonothioate|O-Ethyl O-(4-nitrophenyl)benzenethionophosphonate|O-ethyl O-(4-nitrophenyl)phenylphosphonothioate|O-Ethyl O-(p-nitrophenyl|65580-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022174
ERPathway2016 ERPathway2016_248 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5 DTXSID7022174 ER Pathway Model, Agonist Model Score 0.0868 Unitless CCOP(=S)(OC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5|O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate|218-276-8|Benzenephosphonic acid, thiono-, ethyl-p-nitrophenyl ester|Benzenephosphothionic acid, ethyl-4-nitrophenyl ester|BRN 2542580|Caswell No. 454|EC No.: 218-276-8|EINECS 218-276-8|EPN|EPN 300|Ethoxy-4-nitrophenoxyphenylphosphine sulfide|Ethyl (p-nitrophenyl)thionobenzenephosphonate|ethyl p-nitrophenyl benzenethionophosphonate|Ethyl p-nitrophenyl benzenethiophosphate|Ethyl p-nitrophenyl benzenethiophosphonate|Ethyl p-nitrophenyl phenylphosphonothioate|Ethyl p-nitrophenyl thionobenzenephosphate|Ethyl p-nitrophenyl thionobenzenephosphonate|Ethyl p-nitrophenylthiobenzene phosphonate|Ethyl-p-nitrophenylthionobenzenephosphate|feniltiofosfato de O-etilo y O-4-nitrofenilo|NSC 404840|NSC 8943|O-(4-Nitrophenyl) O-ethyl phenyl thiophosphonate|O-Aethyl-O-(4-nitro-phenyl)-phenyl-monothiophosphonat|O-Ethyl O-(4-nitrophenyl) benzenethionophosphonate|O-Ethyl O-(4-nitrophenyl) phenylphosphonothioate|O-Ethyl O-(4-nitrophenyl)benzenethionophosphonate|O-ethyl O-(4-nitrophenyl)phenylphosphonothioate|O-Ethyl O-(p-nitrophenyl|65580-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022174
ERPathway2016 ERPathway2016_248 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5 DTXSID7022174 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5|O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate|218-276-8|Benzenephosphonic acid, thiono-, ethyl-p-nitrophenyl ester|Benzenephosphothionic acid, ethyl-4-nitrophenyl ester|BRN 2542580|Caswell No. 454|EC No.: 218-276-8|EINECS 218-276-8|EPN|EPN 300|Ethoxy-4-nitrophenoxyphenylphosphine sulfide|Ethyl (p-nitrophenyl)thionobenzenephosphonate|ethyl p-nitrophenyl benzenethionophosphonate|Ethyl p-nitrophenyl benzenethiophosphate|Ethyl p-nitrophenyl benzenethiophosphonate|Ethyl p-nitrophenyl phenylphosphonothioate|Ethyl p-nitrophenyl thionobenzenephosphate|Ethyl p-nitrophenyl thionobenzenephosphonate|Ethyl p-nitrophenylthiobenzene phosphonate|Ethyl-p-nitrophenylthionobenzenephosphate|feniltiofosfato de O-etilo y O-4-nitrofenilo|NSC 404840|NSC 8943|O-(4-Nitrophenyl) O-ethyl phenyl thiophosphonate|O-Aethyl-O-(4-nitro-phenyl)-phenyl-monothiophosphonat|O-Ethyl O-(4-nitrophenyl) benzenethionophosphonate|O-Ethyl O-(4-nitrophenyl) phenylphosphonothioate|O-Ethyl O-(4-nitrophenyl)benzenethionophosphonate|O-ethyl O-(4-nitrophenyl)phenylphosphonothioate|O-Ethyl O-(p-nitrophenyl|65580-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022174
ERPathway2016 ERPathway2016_248 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5 DTXSID7022174 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5|O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate|218-276-8|Benzenephosphonic acid, thiono-, ethyl-p-nitrophenyl ester|Benzenephosphothionic acid, ethyl-4-nitrophenyl ester|BRN 2542580|Caswell No. 454|EC No.: 218-276-8|EINECS 218-276-8|EPN|EPN 300|Ethoxy-4-nitrophenoxyphenylphosphine sulfide|Ethyl (p-nitrophenyl)thionobenzenephosphonate|ethyl p-nitrophenyl benzenethionophosphonate|Ethyl p-nitrophenyl benzenethiophosphate|Ethyl p-nitrophenyl benzenethiophosphonate|Ethyl p-nitrophenyl phenylphosphonothioate|Ethyl p-nitrophenyl thionobenzenephosphate|Ethyl p-nitrophenyl thionobenzenephosphonate|Ethyl p-nitrophenylthiobenzene phosphonate|Ethyl-p-nitrophenylthionobenzenephosphate|feniltiofosfato de O-etilo y O-4-nitrofenilo|NSC 404840|NSC 8943|O-(4-Nitrophenyl) O-ethyl phenyl thiophosphonate|O-Aethyl-O-(4-nitro-phenyl)-phenyl-monothiophosphonat|O-Ethyl O-(4-nitrophenyl) benzenethionophosphonate|O-Ethyl O-(4-nitrophenyl) phenylphosphonothioate|O-Ethyl O-(4-nitrophenyl)benzenethionophosphonate|O-ethyl O-(4-nitrophenyl)phenylphosphonothioate|O-Ethyl O-(p-nitrophenyl|65580-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022174
ERPathway2016 ERPathway2016_248 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5 DTXSID7022174 ER Pathway Model, Antagonist Call Active Unitless CCOP(=S)(OC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1 O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate 2104-64-5|O-Ethyl O-(p-nitrophenyl phenyl)phosphonothioate|218-276-8|Benzenephosphonic acid, thiono-, ethyl-p-nitrophenyl ester|Benzenephosphothionic acid, ethyl-4-nitrophenyl ester|BRN 2542580|Caswell No. 454|EC No.: 218-276-8|EINECS 218-276-8|EPN|EPN 300|Ethoxy-4-nitrophenoxyphenylphosphine sulfide|Ethyl (p-nitrophenyl)thionobenzenephosphonate|ethyl p-nitrophenyl benzenethionophosphonate|Ethyl p-nitrophenyl benzenethiophosphate|Ethyl p-nitrophenyl benzenethiophosphonate|Ethyl p-nitrophenyl phenylphosphonothioate|Ethyl p-nitrophenyl thionobenzenephosphate|Ethyl p-nitrophenyl thionobenzenephosphonate|Ethyl p-nitrophenylthiobenzene phosphonate|Ethyl-p-nitrophenylthionobenzenephosphate|feniltiofosfato de O-etilo y O-4-nitrofenilo|NSC 404840|NSC 8943|O-(4-Nitrophenyl) O-ethyl phenyl thiophosphonate|O-Aethyl-O-(4-nitro-phenyl)-phenyl-monothiophosphonat|O-Ethyl O-(4-nitrophenyl) benzenethionophosphonate|O-Ethyl O-(4-nitrophenyl) phenylphosphonothioate|O-Ethyl O-(4-nitrophenyl)benzenethionophosphonate|O-ethyl O-(4-nitrophenyl)phenylphosphonothioate|O-Ethyl O-(p-nitrophenyl|65580-81-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022174
ARPathway2016 ARPathway2016_617 Oleic acid 112-80-1 DTXSID1025809 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCC=C/CCCCCCCC(O)=O Oleic acid 112-80-1|Oleic acid|(9Z)-9-Octadecenoate|(9Z)-9-Octadecenoic acid|(9Z)-Octadecenoate|(9Z)-Octadecenoic acid|(Z)-9-Octadecanoate|(Z)-9-Octadecanoic acid|(Z)-9-Octadecenoic acid|(Z)-Octadec-9-enoate|18:1 n-9|18:1Delta9cis|4-02-00-01641|9-(Z)-Octadecenoate|9-(Z)-Octadecenoic acid|9-cis-Octadecenoic acid|9-Octadecenoate|9-Octadecenoic acid|9-Octadecenoic acid (9Z)-|9-Octadecenoic acid (Z)-|9-Octadecenoic acid, (Z)-|9-Octadecenoic acid, (z)-, C18H34O2|9-Octadecenoic acid, 9-Octadecenoic acid|9,10-Octadecenoate|9,10-Octadecenoic acid|9Z-Octadecenoic acid|Acide oleique|acido oleico, puro|BRN 1726542|C18:1 n-9|Caswell No. 619|Century cd fatty acid|cis-9-Octadecenoate|cis-9-Octadecenoic acid|cis-Delta(9)-octadecenoic acid|cis-delta(sup 9)-Octadecenoic acid|cis-Octadec-9-enoate|cis-Octadec-9-enoic acid|cis-Oleate|cis-Oleic acid|cis-D9-Octadecenoic acid|Crossential O 94|delta9-cis-Oleic acid|Distoline|EC No.: 204-007-1|Edenor ATiO5|Edenor FTiO5|EINECS 204-007-1|Elaidoic acid|Emersol 205|Emersol 210|Emersol 211|Emersol 213|Emersol 213NF|Em|1190712-11-8|1190965-71-9|1380514-02-2|17156-84-2|2252262-80-7|56833-51-3|8046-01-3|949900-16-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025809 https://doi.org/10.22427/NTP-DATA-DTXSID1025809
ARPathway2016 ARPathway2016_617 Oleic acid 112-80-1 DTXSID1025809 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCC=C/CCCCCCCC(O)=O Oleic acid 112-80-1|Oleic acid|(9Z)-9-Octadecenoate|(9Z)-9-Octadecenoic acid|(9Z)-Octadecenoate|(9Z)-Octadecenoic acid|(Z)-9-Octadecanoate|(Z)-9-Octadecanoic acid|(Z)-9-Octadecenoic acid|(Z)-Octadec-9-enoate|18:1 n-9|18:1Delta9cis|4-02-00-01641|9-(Z)-Octadecenoate|9-(Z)-Octadecenoic acid|9-cis-Octadecenoic acid|9-Octadecenoate|9-Octadecenoic acid|9-Octadecenoic acid (9Z)-|9-Octadecenoic acid (Z)-|9-Octadecenoic acid, (Z)-|9-Octadecenoic acid, (z)-, C18H34O2|9-Octadecenoic acid, 9-Octadecenoic acid|9,10-Octadecenoate|9,10-Octadecenoic acid|9Z-Octadecenoic acid|Acide oleique|acido oleico, puro|BRN 1726542|C18:1 n-9|Caswell No. 619|Century cd fatty acid|cis-9-Octadecenoate|cis-9-Octadecenoic acid|cis-Delta(9)-octadecenoic acid|cis-delta(sup 9)-Octadecenoic acid|cis-Octadec-9-enoate|cis-Octadec-9-enoic acid|cis-Oleate|cis-Oleic acid|cis-D9-Octadecenoic acid|Crossential O 94|delta9-cis-Oleic acid|Distoline|EC No.: 204-007-1|Edenor ATiO5|Edenor FTiO5|EINECS 204-007-1|Elaidoic acid|Emersol 205|Emersol 210|Emersol 211|Emersol 213|Emersol 213NF|Em|1190712-11-8|1190965-71-9|1380514-02-2|17156-84-2|2252262-80-7|56833-51-3|8046-01-3|949900-16-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025809 https://doi.org/10.22427/NTP-DATA-DTXSID1025809
ARPathway2016 ARPathway2016_617 Oleic acid 112-80-1 DTXSID1025809 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCC=C/CCCCCCCC(O)=O Oleic acid 112-80-1|Oleic acid|(9Z)-9-Octadecenoate|(9Z)-9-Octadecenoic acid|(9Z)-Octadecenoate|(9Z)-Octadecenoic acid|(Z)-9-Octadecanoate|(Z)-9-Octadecanoic acid|(Z)-9-Octadecenoic acid|(Z)-Octadec-9-enoate|18:1 n-9|18:1Delta9cis|4-02-00-01641|9-(Z)-Octadecenoate|9-(Z)-Octadecenoic acid|9-cis-Octadecenoic acid|9-Octadecenoate|9-Octadecenoic acid|9-Octadecenoic acid (9Z)-|9-Octadecenoic acid (Z)-|9-Octadecenoic acid, (Z)-|9-Octadecenoic acid, (z)-, C18H34O2|9-Octadecenoic acid, 9-Octadecenoic acid|9,10-Octadecenoate|9,10-Octadecenoic acid|9Z-Octadecenoic acid|Acide oleique|acido oleico, puro|BRN 1726542|C18:1 n-9|Caswell No. 619|Century cd fatty acid|cis-9-Octadecenoate|cis-9-Octadecenoic acid|cis-Delta(9)-octadecenoic acid|cis-delta(sup 9)-Octadecenoic acid|cis-Octadec-9-enoate|cis-Octadec-9-enoic acid|cis-Oleate|cis-Oleic acid|cis-D9-Octadecenoic acid|Crossential O 94|delta9-cis-Oleic acid|Distoline|EC No.: 204-007-1|Edenor ATiO5|Edenor FTiO5|EINECS 204-007-1|Elaidoic acid|Emersol 205|Emersol 210|Emersol 211|Emersol 213|Emersol 213NF|Em|1190712-11-8|1190965-71-9|1380514-02-2|17156-84-2|2252262-80-7|56833-51-3|8046-01-3|949900-16-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025809 https://doi.org/10.22427/NTP-DATA-DTXSID1025809
ARPathway2016 ARPathway2016_617 Oleic acid 112-80-1 DTXSID1025809 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC=C/CCCCCCCC(O)=O Oleic acid 112-80-1|Oleic acid|(9Z)-9-Octadecenoate|(9Z)-9-Octadecenoic acid|(9Z)-Octadecenoate|(9Z)-Octadecenoic acid|(Z)-9-Octadecanoate|(Z)-9-Octadecanoic acid|(Z)-9-Octadecenoic acid|(Z)-Octadec-9-enoate|18:1 n-9|18:1Delta9cis|4-02-00-01641|9-(Z)-Octadecenoate|9-(Z)-Octadecenoic acid|9-cis-Octadecenoic acid|9-Octadecenoate|9-Octadecenoic acid|9-Octadecenoic acid (9Z)-|9-Octadecenoic acid (Z)-|9-Octadecenoic acid, (Z)-|9-Octadecenoic acid, (z)-, C18H34O2|9-Octadecenoic acid, 9-Octadecenoic acid|9,10-Octadecenoate|9,10-Octadecenoic acid|9Z-Octadecenoic acid|Acide oleique|acido oleico, puro|BRN 1726542|C18:1 n-9|Caswell No. 619|Century cd fatty acid|cis-9-Octadecenoate|cis-9-Octadecenoic acid|cis-Delta(9)-octadecenoic acid|cis-delta(sup 9)-Octadecenoic acid|cis-Octadec-9-enoate|cis-Octadec-9-enoic acid|cis-Oleate|cis-Oleic acid|cis-D9-Octadecenoic acid|Crossential O 94|delta9-cis-Oleic acid|Distoline|EC No.: 204-007-1|Edenor ATiO5|Edenor FTiO5|EINECS 204-007-1|Elaidoic acid|Emersol 205|Emersol 210|Emersol 211|Emersol 213|Emersol 213NF|Em|1190712-11-8|1190965-71-9|1380514-02-2|17156-84-2|2252262-80-7|56833-51-3|8046-01-3|949900-16-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025809 https://doi.org/10.22427/NTP-DATA-DTXSID1025809
ERPathway2016 ERPathway2016_711 Oleic acid 112-80-1 DTXSID1025809 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCC=C/CCCCCCCC(O)=O Oleic acid 112-80-1|Oleic acid|(9Z)-9-Octadecenoate|(9Z)-9-Octadecenoic acid|(9Z)-Octadecenoate|(9Z)-Octadecenoic acid|(Z)-9-Octadecanoate|(Z)-9-Octadecanoic acid|(Z)-9-Octadecenoic acid|(Z)-Octadec-9-enoate|18:1 n-9|18:1Delta9cis|4-02-00-01641|9-(Z)-Octadecenoate|9-(Z)-Octadecenoic acid|9-cis-Octadecenoic acid|9-Octadecenoate|9-Octadecenoic acid|9-Octadecenoic acid (9Z)-|9-Octadecenoic acid (Z)-|9-Octadecenoic acid, (Z)-|9-Octadecenoic acid, (z)-, C18H34O2|9-Octadecenoic acid, 9-Octadecenoic acid|9,10-Octadecenoate|9,10-Octadecenoic acid|9Z-Octadecenoic acid|Acide oleique|acido oleico, puro|BRN 1726542|C18:1 n-9|Caswell No. 619|Century cd fatty acid|cis-9-Octadecenoate|cis-9-Octadecenoic acid|cis-Delta(9)-octadecenoic acid|cis-delta(sup 9)-Octadecenoic acid|cis-Octadec-9-enoate|cis-Octadec-9-enoic acid|cis-Oleate|cis-Oleic acid|cis-D9-Octadecenoic acid|Crossential O 94|delta9-cis-Oleic acid|Distoline|EC No.: 204-007-1|Edenor ATiO5|Edenor FTiO5|EINECS 204-007-1|Elaidoic acid|Emersol 205|Emersol 210|Emersol 211|Emersol 213|Emersol 213NF|Em|1190712-11-8|1190965-71-9|1380514-02-2|17156-84-2|2252262-80-7|56833-51-3|8046-01-3|949900-16-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025809 https://doi.org/10.22427/NTP-DATA-DTXSID1025809
ERPathway2016 ERPathway2016_711 Oleic acid 112-80-1 DTXSID1025809 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCC=C/CCCCCCCC(O)=O Oleic acid 112-80-1|Oleic acid|(9Z)-9-Octadecenoate|(9Z)-9-Octadecenoic acid|(9Z)-Octadecenoate|(9Z)-Octadecenoic acid|(Z)-9-Octadecanoate|(Z)-9-Octadecanoic acid|(Z)-9-Octadecenoic acid|(Z)-Octadec-9-enoate|18:1 n-9|18:1Delta9cis|4-02-00-01641|9-(Z)-Octadecenoate|9-(Z)-Octadecenoic acid|9-cis-Octadecenoic acid|9-Octadecenoate|9-Octadecenoic acid|9-Octadecenoic acid (9Z)-|9-Octadecenoic acid (Z)-|9-Octadecenoic acid, (Z)-|9-Octadecenoic acid, (z)-, C18H34O2|9-Octadecenoic acid, 9-Octadecenoic acid|9,10-Octadecenoate|9,10-Octadecenoic acid|9Z-Octadecenoic acid|Acide oleique|acido oleico, puro|BRN 1726542|C18:1 n-9|Caswell No. 619|Century cd fatty acid|cis-9-Octadecenoate|cis-9-Octadecenoic acid|cis-Delta(9)-octadecenoic acid|cis-delta(sup 9)-Octadecenoic acid|cis-Octadec-9-enoate|cis-Octadec-9-enoic acid|cis-Oleate|cis-Oleic acid|cis-D9-Octadecenoic acid|Crossential O 94|delta9-cis-Oleic acid|Distoline|EC No.: 204-007-1|Edenor ATiO5|Edenor FTiO5|EINECS 204-007-1|Elaidoic acid|Emersol 205|Emersol 210|Emersol 211|Emersol 213|Emersol 213NF|Em|1190712-11-8|1190965-71-9|1380514-02-2|17156-84-2|2252262-80-7|56833-51-3|8046-01-3|949900-16-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025809 https://doi.org/10.22427/NTP-DATA-DTXSID1025809
ERPathway2016 ERPathway2016_711 Oleic acid 112-80-1 DTXSID1025809 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCC=C/CCCCCCCC(O)=O Oleic acid 112-80-1|Oleic acid|(9Z)-9-Octadecenoate|(9Z)-9-Octadecenoic acid|(9Z)-Octadecenoate|(9Z)-Octadecenoic acid|(Z)-9-Octadecanoate|(Z)-9-Octadecanoic acid|(Z)-9-Octadecenoic acid|(Z)-Octadec-9-enoate|18:1 n-9|18:1Delta9cis|4-02-00-01641|9-(Z)-Octadecenoate|9-(Z)-Octadecenoic acid|9-cis-Octadecenoic acid|9-Octadecenoate|9-Octadecenoic acid|9-Octadecenoic acid (9Z)-|9-Octadecenoic acid (Z)-|9-Octadecenoic acid, (Z)-|9-Octadecenoic acid, (z)-, C18H34O2|9-Octadecenoic acid, 9-Octadecenoic acid|9,10-Octadecenoate|9,10-Octadecenoic acid|9Z-Octadecenoic acid|Acide oleique|acido oleico, puro|BRN 1726542|C18:1 n-9|Caswell No. 619|Century cd fatty acid|cis-9-Octadecenoate|cis-9-Octadecenoic acid|cis-Delta(9)-octadecenoic acid|cis-delta(sup 9)-Octadecenoic acid|cis-Octadec-9-enoate|cis-Octadec-9-enoic acid|cis-Oleate|cis-Oleic acid|cis-D9-Octadecenoic acid|Crossential O 94|delta9-cis-Oleic acid|Distoline|EC No.: 204-007-1|Edenor ATiO5|Edenor FTiO5|EINECS 204-007-1|Elaidoic acid|Emersol 205|Emersol 210|Emersol 211|Emersol 213|Emersol 213NF|Em|1190712-11-8|1190965-71-9|1380514-02-2|17156-84-2|2252262-80-7|56833-51-3|8046-01-3|949900-16-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025809 https://doi.org/10.22427/NTP-DATA-DTXSID1025809
ERPathway2016 ERPathway2016_711 Oleic acid 112-80-1 DTXSID1025809 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC=C/CCCCCCCC(O)=O Oleic acid 112-80-1|Oleic acid|(9Z)-9-Octadecenoate|(9Z)-9-Octadecenoic acid|(9Z)-Octadecenoate|(9Z)-Octadecenoic acid|(Z)-9-Octadecanoate|(Z)-9-Octadecanoic acid|(Z)-9-Octadecenoic acid|(Z)-Octadec-9-enoate|18:1 n-9|18:1Delta9cis|4-02-00-01641|9-(Z)-Octadecenoate|9-(Z)-Octadecenoic acid|9-cis-Octadecenoic acid|9-Octadecenoate|9-Octadecenoic acid|9-Octadecenoic acid (9Z)-|9-Octadecenoic acid (Z)-|9-Octadecenoic acid, (Z)-|9-Octadecenoic acid, (z)-, C18H34O2|9-Octadecenoic acid, 9-Octadecenoic acid|9,10-Octadecenoate|9,10-Octadecenoic acid|9Z-Octadecenoic acid|Acide oleique|acido oleico, puro|BRN 1726542|C18:1 n-9|Caswell No. 619|Century cd fatty acid|cis-9-Octadecenoate|cis-9-Octadecenoic acid|cis-Delta(9)-octadecenoic acid|cis-delta(sup 9)-Octadecenoic acid|cis-Octadec-9-enoate|cis-Octadec-9-enoic acid|cis-Oleate|cis-Oleic acid|cis-D9-Octadecenoic acid|Crossential O 94|delta9-cis-Oleic acid|Distoline|EC No.: 204-007-1|Edenor ATiO5|Edenor FTiO5|EINECS 204-007-1|Elaidoic acid|Emersol 205|Emersol 210|Emersol 211|Emersol 213|Emersol 213NF|Em|1190712-11-8|1190965-71-9|1380514-02-2|17156-84-2|2252262-80-7|56833-51-3|8046-01-3|949900-16-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1025809 https://doi.org/10.22427/NTP-DATA-DTXSID1025809
ARPathway2016 ARPathway2016_540 Oleyl sarcosine 110-25-8 DTXSID5042243 FLAG: Wrong direction (Hit/No hit) -1.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCC=C/CCCCCCCC(=O)N(C)CC(O)=O Oleyl sarcosine 110-25-8|Oleyl sarcosine|EINECS 203-749-3|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]-|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecenyl]-|Hamposyl O|Maprosyl O|Medialanic acid|N-Methyl-N-oleoylglycine|N-Oleoylsarcosine|NSC 96995|Oleic sarcosine|Oleoyl Sarcosine|Oleoylsarcosine|Sarkosyl O|UNII-4011K1S96Y|57368-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042243
ARPathway2016 ARPathway2016_540 Oleyl sarcosine 110-25-8 DTXSID5042243 FLAG: Wrong direction (Hit/No hit) -1.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCC=C/CCCCCCCC(=O)N(C)CC(O)=O Oleyl sarcosine 110-25-8|Oleyl sarcosine|EINECS 203-749-3|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]-|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecenyl]-|Hamposyl O|Maprosyl O|Medialanic acid|N-Methyl-N-oleoylglycine|N-Oleoylsarcosine|NSC 96995|Oleic sarcosine|Oleoyl Sarcosine|Oleoylsarcosine|Sarkosyl O|UNII-4011K1S96Y|57368-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042243
ARPathway2016 ARPathway2016_540 Oleyl sarcosine 110-25-8 DTXSID5042243 FLAG: Wrong direction (Hit/No hit) -1.0 A3 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCC=C/CCCCCCCC(=O)N(C)CC(O)=O Oleyl sarcosine 110-25-8|Oleyl sarcosine|EINECS 203-749-3|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]-|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecenyl]-|Hamposyl O|Maprosyl O|Medialanic acid|N-Methyl-N-oleoylglycine|N-Oleoylsarcosine|NSC 96995|Oleic sarcosine|Oleoyl Sarcosine|Oleoylsarcosine|Sarkosyl O|UNII-4011K1S96Y|57368-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042243
ARPathway2016 ARPathway2016_540 Oleyl sarcosine 110-25-8 DTXSID5042243 FLAG: Wrong direction (Hit/No hit) -1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC=C/CCCCCCCC(=O)N(C)CC(O)=O Oleyl sarcosine 110-25-8|Oleyl sarcosine|EINECS 203-749-3|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]-|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecenyl]-|Hamposyl O|Maprosyl O|Medialanic acid|N-Methyl-N-oleoylglycine|N-Oleoylsarcosine|NSC 96995|Oleic sarcosine|Oleoyl Sarcosine|Oleoylsarcosine|Sarkosyl O|UNII-4011K1S96Y|57368-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042243
ERPathway2016 ERPathway2016_132 Oleyl sarcosine 110-25-8 DTXSID5042243 ER Pathway Model, Agonist AC50 25.4331779720626 uM CCCCCCCCC=C/CCCCCCCC(=O)N(C)CC(O)=O Oleyl sarcosine 110-25-8|Oleyl sarcosine|EINECS 203-749-3|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]-|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecenyl]-|Hamposyl O|Maprosyl O|Medialanic acid|N-Methyl-N-oleoylglycine|N-Oleoylsarcosine|NSC 96995|Oleic sarcosine|Oleoyl Sarcosine|Oleoylsarcosine|Sarkosyl O|UNII-4011K1S96Y|57368-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042243
ERPathway2016 ERPathway2016_132 Oleyl sarcosine 110-25-8 DTXSID5042243 ER Pathway Model, Agonist ACC 23.5363574220131 uM CCCCCCCCC=C/CCCCCCCC(=O)N(C)CC(O)=O Oleyl sarcosine 110-25-8|Oleyl sarcosine|EINECS 203-749-3|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]-|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecenyl]-|Hamposyl O|Maprosyl O|Medialanic acid|N-Methyl-N-oleoylglycine|N-Oleoylsarcosine|NSC 96995|Oleic sarcosine|Oleoyl Sarcosine|Oleoylsarcosine|Sarkosyl O|UNII-4011K1S96Y|57368-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042243
ERPathway2016 ERPathway2016_132 Oleyl sarcosine 110-25-8 DTXSID5042243 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCC=C/CCCCCCCC(=O)N(C)CC(O)=O Oleyl sarcosine 110-25-8|Oleyl sarcosine|EINECS 203-749-3|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]-|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecenyl]-|Hamposyl O|Maprosyl O|Medialanic acid|N-Methyl-N-oleoylglycine|N-Oleoylsarcosine|NSC 96995|Oleic sarcosine|Oleoyl Sarcosine|Oleoylsarcosine|Sarkosyl O|UNII-4011K1S96Y|57368-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042243
ERPathway2016 ERPathway2016_132 Oleyl sarcosine 110-25-8 DTXSID5042243 ER Pathway Model, Antagonist Model Score 0.018 Unitless CCCCCCCCC=C/CCCCCCCC(=O)N(C)CC(O)=O Oleyl sarcosine 110-25-8|Oleyl sarcosine|EINECS 203-749-3|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]-|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecenyl]-|Hamposyl O|Maprosyl O|Medialanic acid|N-Methyl-N-oleoylglycine|N-Oleoylsarcosine|NSC 96995|Oleic sarcosine|Oleoyl Sarcosine|Oleoylsarcosine|Sarkosyl O|UNII-4011K1S96Y|57368-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042243
ERPathway2016 ERPathway2016_132 Oleyl sarcosine 110-25-8 DTXSID5042243 ER Pathway Model, Agonist Call Active Unitless CCCCCCCCC=C/CCCCCCCC(=O)N(C)CC(O)=O Oleyl sarcosine 110-25-8|Oleyl sarcosine|EINECS 203-749-3|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]-|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecenyl]-|Hamposyl O|Maprosyl O|Medialanic acid|N-Methyl-N-oleoylglycine|N-Oleoylsarcosine|NSC 96995|Oleic sarcosine|Oleoyl Sarcosine|Oleoylsarcosine|Sarkosyl O|UNII-4011K1S96Y|57368-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042243
ERPathway2016 ERPathway2016_132 Oleyl sarcosine 110-25-8 DTXSID5042243 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC=C/CCCCCCCC(=O)N(C)CC(O)=O Oleyl sarcosine 110-25-8|Oleyl sarcosine|EINECS 203-749-3|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]-|Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecenyl]-|Hamposyl O|Maprosyl O|Medialanic acid|N-Methyl-N-oleoylglycine|N-Oleoylsarcosine|NSC 96995|Oleic sarcosine|Oleoyl Sarcosine|Oleoylsarcosine|Sarkosyl O|UNII-4011K1S96Y|57368-03-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5042243
ARPathway2016 ARPathway2016_100 Oryzalin 19044-88-3 DTXSID8024238 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 28.2557044505609 uM CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O Oryzalin 19044-88-3|Oryzalin|3,5-Dinitro-N(sup 4),N(sup 4)-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulphanilamide|4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide|Benzenesulfonamide, 4-(dipropylamino)-3,5-dinitro-|BRN 2177305|Caswell No. 623A|Compound 67019|Dinitrodipropylsulfanilamide|Dirimal|Dirimal Extra|EINECS 242-777-0|EPA Pesticide Chemical Code 104201|N4,N4-Dipropyl-3,5-dinitrosulfanilamide|Surflan|UNII-662E385DWH https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024238
ARPathway2016 ARPathway2016_100 Oryzalin 19044-88-3 DTXSID8024238 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 25.3003772015502 uM CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O Oryzalin 19044-88-3|Oryzalin|3,5-Dinitro-N(sup 4),N(sup 4)-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulphanilamide|4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide|Benzenesulfonamide, 4-(dipropylamino)-3,5-dinitro-|BRN 2177305|Caswell No. 623A|Compound 67019|Dinitrodipropylsulfanilamide|Dirimal|Dirimal Extra|EINECS 242-777-0|EPA Pesticide Chemical Code 104201|N4,N4-Dipropyl-3,5-dinitrosulfanilamide|Surflan|UNII-662E385DWH https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024238
ARPathway2016 ARPathway2016_100 Oryzalin 19044-88-3 DTXSID8024238 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.146 Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O Oryzalin 19044-88-3|Oryzalin|3,5-Dinitro-N(sup 4),N(sup 4)-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulphanilamide|4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide|Benzenesulfonamide, 4-(dipropylamino)-3,5-dinitro-|BRN 2177305|Caswell No. 623A|Compound 67019|Dinitrodipropylsulfanilamide|Dirimal|Dirimal Extra|EINECS 242-777-0|EPA Pesticide Chemical Code 104201|N4,N4-Dipropyl-3,5-dinitrosulfanilamide|Surflan|UNII-662E385DWH https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024238
ARPathway2016 ARPathway2016_100 Oryzalin 19044-88-3 DTXSID8024238 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O Oryzalin 19044-88-3|Oryzalin|3,5-Dinitro-N(sup 4),N(sup 4)-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulphanilamide|4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide|Benzenesulfonamide, 4-(dipropylamino)-3,5-dinitro-|BRN 2177305|Caswell No. 623A|Compound 67019|Dinitrodipropylsulfanilamide|Dirimal|Dirimal Extra|EINECS 242-777-0|EPA Pesticide Chemical Code 104201|N4,N4-Dipropyl-3,5-dinitrosulfanilamide|Surflan|UNII-662E385DWH https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024238
ARPathway2016 ARPathway2016_100 Oryzalin 19044-88-3 DTXSID8024238 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O Oryzalin 19044-88-3|Oryzalin|3,5-Dinitro-N(sup 4),N(sup 4)-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulphanilamide|4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide|Benzenesulfonamide, 4-(dipropylamino)-3,5-dinitro-|BRN 2177305|Caswell No. 623A|Compound 67019|Dinitrodipropylsulfanilamide|Dirimal|Dirimal Extra|EINECS 242-777-0|EPA Pesticide Chemical Code 104201|N4,N4-Dipropyl-3,5-dinitrosulfanilamide|Surflan|UNII-662E385DWH https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024238
ARPathway2016 ARPathway2016_100 Oryzalin 19044-88-3 DTXSID8024238 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O Oryzalin 19044-88-3|Oryzalin|3,5-Dinitro-N(sup 4),N(sup 4)-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulphanilamide|4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide|Benzenesulfonamide, 4-(dipropylamino)-3,5-dinitro-|BRN 2177305|Caswell No. 623A|Compound 67019|Dinitrodipropylsulfanilamide|Dirimal|Dirimal Extra|EINECS 242-777-0|EPA Pesticide Chemical Code 104201|N4,N4-Dipropyl-3,5-dinitrosulfanilamide|Surflan|UNII-662E385DWH https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024238
ERPathway2016 ERPathway2016_659 Oryzalin 19044-88-3 DTXSID8024238 ER Pathway Model, Agonist Model Score 0 Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O Oryzalin 19044-88-3|Oryzalin|3,5-Dinitro-N(sup 4),N(sup 4)-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulphanilamide|4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide|Benzenesulfonamide, 4-(dipropylamino)-3,5-dinitro-|BRN 2177305|Caswell No. 623A|Compound 67019|Dinitrodipropylsulfanilamide|Dirimal|Dirimal Extra|EINECS 242-777-0|EPA Pesticide Chemical Code 104201|N4,N4-Dipropyl-3,5-dinitrosulfanilamide|Surflan|UNII-662E385DWH https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024238
ERPathway2016 ERPathway2016_659 Oryzalin 19044-88-3 DTXSID8024238 ER Pathway Model, Antagonist Model Score 0 Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O Oryzalin 19044-88-3|Oryzalin|3,5-Dinitro-N(sup 4),N(sup 4)-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulphanilamide|4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide|Benzenesulfonamide, 4-(dipropylamino)-3,5-dinitro-|BRN 2177305|Caswell No. 623A|Compound 67019|Dinitrodipropylsulfanilamide|Dirimal|Dirimal Extra|EINECS 242-777-0|EPA Pesticide Chemical Code 104201|N4,N4-Dipropyl-3,5-dinitrosulfanilamide|Surflan|UNII-662E385DWH https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024238
ERPathway2016 ERPathway2016_659 Oryzalin 19044-88-3 DTXSID8024238 ER Pathway Model, Agonist Call Inactive Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O Oryzalin 19044-88-3|Oryzalin|3,5-Dinitro-N(sup 4),N(sup 4)-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulphanilamide|4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide|Benzenesulfonamide, 4-(dipropylamino)-3,5-dinitro-|BRN 2177305|Caswell No. 623A|Compound 67019|Dinitrodipropylsulfanilamide|Dirimal|Dirimal Extra|EINECS 242-777-0|EPA Pesticide Chemical Code 104201|N4,N4-Dipropyl-3,5-dinitrosulfanilamide|Surflan|UNII-662E385DWH https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024238
ERPathway2016 ERPathway2016_659 Oryzalin 19044-88-3 DTXSID8024238 ER Pathway Model, Antagonist Call Inactive Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O Oryzalin 19044-88-3|Oryzalin|3,5-Dinitro-N(sup 4),N(sup 4)-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulfanilamide|3,5-Dinitro-N4,N4-dipropylsulphanilamide|4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide|Benzenesulfonamide, 4-(dipropylamino)-3,5-dinitro-|BRN 2177305|Caswell No. 623A|Compound 67019|Dinitrodipropylsulfanilamide|Dirimal|Dirimal Extra|EINECS 242-777-0|EPA Pesticide Chemical Code 104201|N4,N4-Dipropyl-3,5-dinitrosulfanilamide|Surflan|UNII-662E385DWH https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024238
ARPathway2016 ARPathway2016_103 Oxadiazon 19666-30-9 DTXSID3024239 FLAG: Wrong direction shift (Hit/Hit) 0.0 R7 AR Pathway Model, Agonist AC50 33.3075977 uM CC(C)OC1=CC(N2N=C(OC2=O)C(C)(C)C)=C(Cl)C=C1Cl Oxadiazon 19666-30-9|Oxadiazon|1,3,4-Oxadiazol-2(3H)-one, 3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-|1,3,4-Oxazol-2(3H)-one, 3-(2,4-dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-|2-t-Butyl-4-(2, 4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-5-oxo-1,3,4-oxadiazoline|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta(sup 2)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta2-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-5-oxo-1,3,4-oxadiazoline|3-(2,4-Dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one|3-(2,4-Dichloro-5-isopropyloxy-phenyl)-delta(sup 4)-5-(tert-butyl)-1,3,4-oxadiazoline-2-one|3-[2,4-Dichlor-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-on|3-[2,4-dichloro-5-(1-methylethoxy)phen|11099-67-5|12715-16-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024239
ARPathway2016 ARPathway2016_103 Oxadiazon 19666-30-9 DTXSID3024239 FLAG: Wrong direction shift (Hit/Hit) 0.0 R7 AR Pathway Model, Agonist ACC 34.72173535 uM CC(C)OC1=CC(N2N=C(OC2=O)C(C)(C)C)=C(Cl)C=C1Cl Oxadiazon 19666-30-9|Oxadiazon|1,3,4-Oxadiazol-2(3H)-one, 3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-|1,3,4-Oxazol-2(3H)-one, 3-(2,4-dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-|2-t-Butyl-4-(2, 4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-5-oxo-1,3,4-oxadiazoline|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta(sup 2)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta2-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-5-oxo-1,3,4-oxadiazoline|3-(2,4-Dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one|3-(2,4-Dichloro-5-isopropyloxy-phenyl)-delta(sup 4)-5-(tert-butyl)-1,3,4-oxadiazoline-2-one|3-[2,4-Dichlor-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-on|3-[2,4-dichloro-5-(1-methylethoxy)phen|11099-67-5|12715-16-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024239
ARPathway2016 ARPathway2016_103 Oxadiazon 19666-30-9 DTXSID3024239 FLAG: Wrong direction shift (Hit/Hit) 0.0 R7 AR Pathway Model, Antagonist Model Score 0.0372 Unitless CC(C)OC1=CC(N2N=C(OC2=O)C(C)(C)C)=C(Cl)C=C1Cl Oxadiazon 19666-30-9|Oxadiazon|1,3,4-Oxadiazol-2(3H)-one, 3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-|1,3,4-Oxazol-2(3H)-one, 3-(2,4-dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-|2-t-Butyl-4-(2, 4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-5-oxo-1,3,4-oxadiazoline|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta(sup 2)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta2-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-5-oxo-1,3,4-oxadiazoline|3-(2,4-Dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one|3-(2,4-Dichloro-5-isopropyloxy-phenyl)-delta(sup 4)-5-(tert-butyl)-1,3,4-oxadiazoline-2-one|3-[2,4-Dichlor-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-on|3-[2,4-dichloro-5-(1-methylethoxy)phen|11099-67-5|12715-16-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024239
ARPathway2016 ARPathway2016_103 Oxadiazon 19666-30-9 DTXSID3024239 FLAG: Wrong direction shift (Hit/Hit) 0.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)OC1=CC(N2N=C(OC2=O)C(C)(C)C)=C(Cl)C=C1Cl Oxadiazon 19666-30-9|Oxadiazon|1,3,4-Oxadiazol-2(3H)-one, 3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-|1,3,4-Oxazol-2(3H)-one, 3-(2,4-dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-|2-t-Butyl-4-(2, 4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-5-oxo-1,3,4-oxadiazoline|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta(sup 2)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta2-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-5-oxo-1,3,4-oxadiazoline|3-(2,4-Dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one|3-(2,4-Dichloro-5-isopropyloxy-phenyl)-delta(sup 4)-5-(tert-butyl)-1,3,4-oxadiazoline-2-one|3-[2,4-Dichlor-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-on|3-[2,4-dichloro-5-(1-methylethoxy)phen|11099-67-5|12715-16-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024239
ARPathway2016 ARPathway2016_103 Oxadiazon 19666-30-9 DTXSID3024239 FLAG: Wrong direction shift (Hit/Hit) 0.0 R7 AR Pathway Model, Agonist Call Active Unitless CC(C)OC1=CC(N2N=C(OC2=O)C(C)(C)C)=C(Cl)C=C1Cl Oxadiazon 19666-30-9|Oxadiazon|1,3,4-Oxadiazol-2(3H)-one, 3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-|1,3,4-Oxazol-2(3H)-one, 3-(2,4-dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-|2-t-Butyl-4-(2, 4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-5-oxo-1,3,4-oxadiazoline|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta(sup 2)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta2-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-5-oxo-1,3,4-oxadiazoline|3-(2,4-Dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one|3-(2,4-Dichloro-5-isopropyloxy-phenyl)-delta(sup 4)-5-(tert-butyl)-1,3,4-oxadiazoline-2-one|3-[2,4-Dichlor-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-on|3-[2,4-dichloro-5-(1-methylethoxy)phen|11099-67-5|12715-16-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024239
ARPathway2016 ARPathway2016_103 Oxadiazon 19666-30-9 DTXSID3024239 FLAG: Wrong direction shift (Hit/Hit) 0.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)OC1=CC(N2N=C(OC2=O)C(C)(C)C)=C(Cl)C=C1Cl Oxadiazon 19666-30-9|Oxadiazon|1,3,4-Oxadiazol-2(3H)-one, 3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-|1,3,4-Oxazol-2(3H)-one, 3-(2,4-dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-|2-t-Butyl-4-(2, 4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-5-oxo-1,3,4-oxadiazoline|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta(sup 2)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta2-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-5-oxo-1,3,4-oxadiazoline|3-(2,4-Dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one|3-(2,4-Dichloro-5-isopropyloxy-phenyl)-delta(sup 4)-5-(tert-butyl)-1,3,4-oxadiazoline-2-one|3-[2,4-Dichlor-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-on|3-[2,4-dichloro-5-(1-methylethoxy)phen|11099-67-5|12715-16-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024239
ERPathway2016 ERPathway2016_585 Oxadiazon 19666-30-9 DTXSID3024239 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)OC1=CC(N2N=C(OC2=O)C(C)(C)C)=C(Cl)C=C1Cl Oxadiazon 19666-30-9|Oxadiazon|1,3,4-Oxadiazol-2(3H)-one, 3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-|1,3,4-Oxazol-2(3H)-one, 3-(2,4-dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-|2-t-Butyl-4-(2, 4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-5-oxo-1,3,4-oxadiazoline|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta(sup 2)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta2-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-5-oxo-1,3,4-oxadiazoline|3-(2,4-Dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one|3-(2,4-Dichloro-5-isopropyloxy-phenyl)-delta(sup 4)-5-(tert-butyl)-1,3,4-oxadiazoline-2-one|3-[2,4-Dichlor-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-on|3-[2,4-dichloro-5-(1-methylethoxy)phen|11099-67-5|12715-16-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024239
ERPathway2016 ERPathway2016_585 Oxadiazon 19666-30-9 DTXSID3024239 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)OC1=CC(N2N=C(OC2=O)C(C)(C)C)=C(Cl)C=C1Cl Oxadiazon 19666-30-9|Oxadiazon|1,3,4-Oxadiazol-2(3H)-one, 3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-|1,3,4-Oxazol-2(3H)-one, 3-(2,4-dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-|2-t-Butyl-4-(2, 4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-5-oxo-1,3,4-oxadiazoline|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta(sup 2)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta2-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-5-oxo-1,3,4-oxadiazoline|3-(2,4-Dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one|3-(2,4-Dichloro-5-isopropyloxy-phenyl)-delta(sup 4)-5-(tert-butyl)-1,3,4-oxadiazoline-2-one|3-[2,4-Dichlor-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-on|3-[2,4-dichloro-5-(1-methylethoxy)phen|11099-67-5|12715-16-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024239
ERPathway2016 ERPathway2016_585 Oxadiazon 19666-30-9 DTXSID3024239 ER Pathway Model, Agonist Call Inactive Unitless CC(C)OC1=CC(N2N=C(OC2=O)C(C)(C)C)=C(Cl)C=C1Cl Oxadiazon 19666-30-9|Oxadiazon|1,3,4-Oxadiazol-2(3H)-one, 3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-|1,3,4-Oxazol-2(3H)-one, 3-(2,4-dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-|2-t-Butyl-4-(2, 4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-5-oxo-1,3,4-oxadiazoline|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta(sup 2)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta2-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-5-oxo-1,3,4-oxadiazoline|3-(2,4-Dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one|3-(2,4-Dichloro-5-isopropyloxy-phenyl)-delta(sup 4)-5-(tert-butyl)-1,3,4-oxadiazoline-2-one|3-[2,4-Dichlor-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-on|3-[2,4-dichloro-5-(1-methylethoxy)phen|11099-67-5|12715-16-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024239
ERPathway2016 ERPathway2016_585 Oxadiazon 19666-30-9 DTXSID3024239 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)OC1=CC(N2N=C(OC2=O)C(C)(C)C)=C(Cl)C=C1Cl Oxadiazon 19666-30-9|Oxadiazon|1,3,4-Oxadiazol-2(3H)-one, 3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-|1,3,4-Oxazol-2(3H)-one, 3-(2,4-dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-|2-t-Butyl-4-(2, 4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-5-oxo-1,3,4-oxadiazoline|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta(sup 2)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-delta2-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-1,3,4-oxadiazolin-5-one|2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-5-oxo-1,3,4-oxadiazoline|3-(2,4-Dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one|3-(2,4-Dichloro-5-isopropyloxy-phenyl)-delta(sup 4)-5-(tert-butyl)-1,3,4-oxadiazoline-2-one|3-[2,4-Dichlor-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-on|3-[2,4-dichloro-5-(1-methylethoxy)phen|11099-67-5|12715-16-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024239
ARPathway2016 ARPathway2016_860 Oxalic acid 144-62-7 DTXSID0025816 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C(O)=O Oxalic acid 144-62-7|Oxalic acid|4-02-00-01819|Acide oxalique|Acido ossalico|acido oxalico|Acidum oxalicum|Aktisal|Ammonium oxalate|Aquisal|BRN 0385686|Caswell No. 625|DeerClean|EINECS 205-634-3|EPA Pesticide Chemical Code 009601|Ethandisaeure|Ethane-1,2-dioate|ethane-1,2-dioic acid|Ethanedioate|Ethanedioic acid|Ethanedionate|Ethanedionic acid|H2ox|HOOCCOOH|Kyselina stavelova|NCI-C55209|NSC 132055|NSC 151956|NSC 62774|NSC 76990|Oxaalzuur|Oxalate|Oxalic acid anhydrous|Oxalic acid diammonium salt|OXALSAEURE|Oxalsaure|Oxiric acid|Ultraplast Activate S 52|UNII-9E7R5L6H31|216451-38-6|63504-28-9|97993-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025816 https://doi.org/10.22427/NTP-DATA-DTXSID0025816
ARPathway2016 ARPathway2016_860 Oxalic acid 144-62-7 DTXSID0025816 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C(O)=O Oxalic acid 144-62-7|Oxalic acid|4-02-00-01819|Acide oxalique|Acido ossalico|acido oxalico|Acidum oxalicum|Aktisal|Ammonium oxalate|Aquisal|BRN 0385686|Caswell No. 625|DeerClean|EINECS 205-634-3|EPA Pesticide Chemical Code 009601|Ethandisaeure|Ethane-1,2-dioate|ethane-1,2-dioic acid|Ethanedioate|Ethanedioic acid|Ethanedionate|Ethanedionic acid|H2ox|HOOCCOOH|Kyselina stavelova|NCI-C55209|NSC 132055|NSC 151956|NSC 62774|NSC 76990|Oxaalzuur|Oxalate|Oxalic acid anhydrous|Oxalic acid diammonium salt|OXALSAEURE|Oxalsaure|Oxiric acid|Ultraplast Activate S 52|UNII-9E7R5L6H31|216451-38-6|63504-28-9|97993-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025816 https://doi.org/10.22427/NTP-DATA-DTXSID0025816
ARPathway2016 ARPathway2016_860 Oxalic acid 144-62-7 DTXSID0025816 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C(O)=O Oxalic acid 144-62-7|Oxalic acid|4-02-00-01819|Acide oxalique|Acido ossalico|acido oxalico|Acidum oxalicum|Aktisal|Ammonium oxalate|Aquisal|BRN 0385686|Caswell No. 625|DeerClean|EINECS 205-634-3|EPA Pesticide Chemical Code 009601|Ethandisaeure|Ethane-1,2-dioate|ethane-1,2-dioic acid|Ethanedioate|Ethanedioic acid|Ethanedionate|Ethanedionic acid|H2ox|HOOCCOOH|Kyselina stavelova|NCI-C55209|NSC 132055|NSC 151956|NSC 62774|NSC 76990|Oxaalzuur|Oxalate|Oxalic acid anhydrous|Oxalic acid diammonium salt|OXALSAEURE|Oxalsaure|Oxiric acid|Ultraplast Activate S 52|UNII-9E7R5L6H31|216451-38-6|63504-28-9|97993-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025816 https://doi.org/10.22427/NTP-DATA-DTXSID0025816
ARPathway2016 ARPathway2016_860 Oxalic acid 144-62-7 DTXSID0025816 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(O)=O Oxalic acid 144-62-7|Oxalic acid|4-02-00-01819|Acide oxalique|Acido ossalico|acido oxalico|Acidum oxalicum|Aktisal|Ammonium oxalate|Aquisal|BRN 0385686|Caswell No. 625|DeerClean|EINECS 205-634-3|EPA Pesticide Chemical Code 009601|Ethandisaeure|Ethane-1,2-dioate|ethane-1,2-dioic acid|Ethanedioate|Ethanedioic acid|Ethanedionate|Ethanedionic acid|H2ox|HOOCCOOH|Kyselina stavelova|NCI-C55209|NSC 132055|NSC 151956|NSC 62774|NSC 76990|Oxaalzuur|Oxalate|Oxalic acid anhydrous|Oxalic acid diammonium salt|OXALSAEURE|Oxalsaure|Oxiric acid|Ultraplast Activate S 52|UNII-9E7R5L6H31|216451-38-6|63504-28-9|97993-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025816 https://doi.org/10.22427/NTP-DATA-DTXSID0025816
ERPathway2016 ERPathway2016_27 Oxalic acid 144-62-7 DTXSID0025816 ER Pathway Model, Agonist AC50 25.7483810718647 uM OC(=O)C(O)=O Oxalic acid 144-62-7|Oxalic acid|4-02-00-01819|Acide oxalique|Acido ossalico|acido oxalico|Acidum oxalicum|Aktisal|Ammonium oxalate|Aquisal|BRN 0385686|Caswell No. 625|DeerClean|EINECS 205-634-3|EPA Pesticide Chemical Code 009601|Ethandisaeure|Ethane-1,2-dioate|ethane-1,2-dioic acid|Ethanedioate|Ethanedioic acid|Ethanedionate|Ethanedionic acid|H2ox|HOOCCOOH|Kyselina stavelova|NCI-C55209|NSC 132055|NSC 151956|NSC 62774|NSC 76990|Oxaalzuur|Oxalate|Oxalic acid anhydrous|Oxalic acid diammonium salt|OXALSAEURE|Oxalsaure|Oxiric acid|Ultraplast Activate S 52|UNII-9E7R5L6H31|216451-38-6|63504-28-9|97993-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025816 https://doi.org/10.22427/NTP-DATA-DTXSID0025816
ERPathway2016 ERPathway2016_27 Oxalic acid 144-62-7 DTXSID0025816 ER Pathway Model, Agonist ACC 18.5653394227728 uM OC(=O)C(O)=O Oxalic acid 144-62-7|Oxalic acid|4-02-00-01819|Acide oxalique|Acido ossalico|acido oxalico|Acidum oxalicum|Aktisal|Ammonium oxalate|Aquisal|BRN 0385686|Caswell No. 625|DeerClean|EINECS 205-634-3|EPA Pesticide Chemical Code 009601|Ethandisaeure|Ethane-1,2-dioate|ethane-1,2-dioic acid|Ethanedioate|Ethanedioic acid|Ethanedionate|Ethanedionic acid|H2ox|HOOCCOOH|Kyselina stavelova|NCI-C55209|NSC 132055|NSC 151956|NSC 62774|NSC 76990|Oxaalzuur|Oxalate|Oxalic acid anhydrous|Oxalic acid diammonium salt|OXALSAEURE|Oxalsaure|Oxiric acid|Ultraplast Activate S 52|UNII-9E7R5L6H31|216451-38-6|63504-28-9|97993-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025816 https://doi.org/10.22427/NTP-DATA-DTXSID0025816
ERPathway2016 ERPathway2016_27 Oxalic acid 144-62-7 DTXSID0025816 ER Pathway Model, Agonist Model Score 0.00766 Unitless OC(=O)C(O)=O Oxalic acid 144-62-7|Oxalic acid|4-02-00-01819|Acide oxalique|Acido ossalico|acido oxalico|Acidum oxalicum|Aktisal|Ammonium oxalate|Aquisal|BRN 0385686|Caswell No. 625|DeerClean|EINECS 205-634-3|EPA Pesticide Chemical Code 009601|Ethandisaeure|Ethane-1,2-dioate|ethane-1,2-dioic acid|Ethanedioate|Ethanedioic acid|Ethanedionate|Ethanedionic acid|H2ox|HOOCCOOH|Kyselina stavelova|NCI-C55209|NSC 132055|NSC 151956|NSC 62774|NSC 76990|Oxaalzuur|Oxalate|Oxalic acid anhydrous|Oxalic acid diammonium salt|OXALSAEURE|Oxalsaure|Oxiric acid|Ultraplast Activate S 52|UNII-9E7R5L6H31|216451-38-6|63504-28-9|97993-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025816 https://doi.org/10.22427/NTP-DATA-DTXSID0025816
ERPathway2016 ERPathway2016_27 Oxalic acid 144-62-7 DTXSID0025816 ER Pathway Model, Antagonist Model Score 0.0225 Unitless OC(=O)C(O)=O Oxalic acid 144-62-7|Oxalic acid|4-02-00-01819|Acide oxalique|Acido ossalico|acido oxalico|Acidum oxalicum|Aktisal|Ammonium oxalate|Aquisal|BRN 0385686|Caswell No. 625|DeerClean|EINECS 205-634-3|EPA Pesticide Chemical Code 009601|Ethandisaeure|Ethane-1,2-dioate|ethane-1,2-dioic acid|Ethanedioate|Ethanedioic acid|Ethanedionate|Ethanedionic acid|H2ox|HOOCCOOH|Kyselina stavelova|NCI-C55209|NSC 132055|NSC 151956|NSC 62774|NSC 76990|Oxaalzuur|Oxalate|Oxalic acid anhydrous|Oxalic acid diammonium salt|OXALSAEURE|Oxalsaure|Oxiric acid|Ultraplast Activate S 52|UNII-9E7R5L6H31|216451-38-6|63504-28-9|97993-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025816 https://doi.org/10.22427/NTP-DATA-DTXSID0025816
ERPathway2016 ERPathway2016_27 Oxalic acid 144-62-7 DTXSID0025816 ER Pathway Model, Agonist Call Active Unitless OC(=O)C(O)=O Oxalic acid 144-62-7|Oxalic acid|4-02-00-01819|Acide oxalique|Acido ossalico|acido oxalico|Acidum oxalicum|Aktisal|Ammonium oxalate|Aquisal|BRN 0385686|Caswell No. 625|DeerClean|EINECS 205-634-3|EPA Pesticide Chemical Code 009601|Ethandisaeure|Ethane-1,2-dioate|ethane-1,2-dioic acid|Ethanedioate|Ethanedioic acid|Ethanedionate|Ethanedionic acid|H2ox|HOOCCOOH|Kyselina stavelova|NCI-C55209|NSC 132055|NSC 151956|NSC 62774|NSC 76990|Oxaalzuur|Oxalate|Oxalic acid anhydrous|Oxalic acid diammonium salt|OXALSAEURE|Oxalsaure|Oxiric acid|Ultraplast Activate S 52|UNII-9E7R5L6H31|216451-38-6|63504-28-9|97993-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025816 https://doi.org/10.22427/NTP-DATA-DTXSID0025816
ERPathway2016 ERPathway2016_27 Oxalic acid 144-62-7 DTXSID0025816 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(O)=O Oxalic acid 144-62-7|Oxalic acid|4-02-00-01819|Acide oxalique|Acido ossalico|acido oxalico|Acidum oxalicum|Aktisal|Ammonium oxalate|Aquisal|BRN 0385686|Caswell No. 625|DeerClean|EINECS 205-634-3|EPA Pesticide Chemical Code 009601|Ethandisaeure|Ethane-1,2-dioate|ethane-1,2-dioic acid|Ethanedioate|Ethanedioic acid|Ethanedionate|Ethanedionic acid|H2ox|HOOCCOOH|Kyselina stavelova|NCI-C55209|NSC 132055|NSC 151956|NSC 62774|NSC 76990|Oxaalzuur|Oxalate|Oxalic acid anhydrous|Oxalic acid diammonium salt|OXALSAEURE|Oxalsaure|Oxiric acid|Ultraplast Activate S 52|UNII-9E7R5L6H31|216451-38-6|63504-28-9|97993-78-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0025816 https://doi.org/10.22427/NTP-DATA-DTXSID0025816
ARPathway2016 ARPathway2016_1019 Oxamyl 23135-22-0 DTXSID6021086 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)ON=C(SC)C(=O)N(C)C Oxamyl 23135-22-0|Oxamyl|2-(Dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxoethanimidothioic acid methyl ester|2-Dimethylamino-1-(methylthio)glyoxal O-methylcarbamoylmonoxime|BRN 2050910|Carbamic acid, methyl-, O- [[[(dimethylcarbamoyl)methylthio]methylene]amino] deriv.|Caswell No. 561A|Dioxamyl|DPX 1410|DPX 1410L|Du Pont 1410|DuPont 1410|EC No.: 245-445-3|EINECS 245-445-3|EPA Pesticide Chemical Code 103801|Ethanimidothioic acid, 2-(dimethylamino)-N-(((methylamino)carbonyl)oxy)-, methyl ester|Ethanimidothioic acid, 2-(dimethylamino)-N-[[(methylamino)carbonyl]oxy]-2-oxo-, methyl ester|Formidic acid, 1-(dimethylcarbamoyl)-N-((methylcarbamoyl)oxy)thio-, methyl ester|Insecticide-nematicide 1410|Methyl 1-(dimethylcarbamoyl)-N-(methylcarbamoyloxy)thioformimidate|Methyl 1-(dimethylcarbamoyl)-N-[(methylcarbamoyl)oxy]methaneimidothioate|Methyl 2-(dimethylamino)-N- [(methylcarbamoyl)oxy]-2-oxoethanimidothioate|Methyl 2-(dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxoethanimidothioate|methyl 2-(dimethylamino)-N-[(methylcarbamoyl)oxy]-2-o https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021086
ARPathway2016 ARPathway2016_1019 Oxamyl 23135-22-0 DTXSID6021086 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CNC(=O)ON=C(SC)C(=O)N(C)C Oxamyl 23135-22-0|Oxamyl|2-(Dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxoethanimidothioic acid methyl ester|2-Dimethylamino-1-(methylthio)glyoxal O-methylcarbamoylmonoxime|BRN 2050910|Carbamic acid, methyl-, O- [[[(dimethylcarbamoyl)methylthio]methylene]amino] deriv.|Caswell No. 561A|Dioxamyl|DPX 1410|DPX 1410L|Du Pont 1410|DuPont 1410|EC No.: 245-445-3|EINECS 245-445-3|EPA Pesticide Chemical Code 103801|Ethanimidothioic acid, 2-(dimethylamino)-N-(((methylamino)carbonyl)oxy)-, methyl ester|Ethanimidothioic acid, 2-(dimethylamino)-N-[[(methylamino)carbonyl]oxy]-2-oxo-, methyl ester|Formidic acid, 1-(dimethylcarbamoyl)-N-((methylcarbamoyl)oxy)thio-, methyl ester|Insecticide-nematicide 1410|Methyl 1-(dimethylcarbamoyl)-N-(methylcarbamoyloxy)thioformimidate|Methyl 1-(dimethylcarbamoyl)-N-[(methylcarbamoyl)oxy]methaneimidothioate|Methyl 2-(dimethylamino)-N- [(methylcarbamoyl)oxy]-2-oxoethanimidothioate|Methyl 2-(dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxoethanimidothioate|methyl 2-(dimethylamino)-N-[(methylcarbamoyl)oxy]-2-o https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021086
ARPathway2016 ARPathway2016_1019 Oxamyl 23135-22-0 DTXSID6021086 0.0 AR Pathway Model, Agonist Call Inactive Unitless CNC(=O)ON=C(SC)C(=O)N(C)C Oxamyl 23135-22-0|Oxamyl|2-(Dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxoethanimidothioic acid methyl ester|2-Dimethylamino-1-(methylthio)glyoxal O-methylcarbamoylmonoxime|BRN 2050910|Carbamic acid, methyl-, O- [[[(dimethylcarbamoyl)methylthio]methylene]amino] deriv.|Caswell No. 561A|Dioxamyl|DPX 1410|DPX 1410L|Du Pont 1410|DuPont 1410|EC No.: 245-445-3|EINECS 245-445-3|EPA Pesticide Chemical Code 103801|Ethanimidothioic acid, 2-(dimethylamino)-N-(((methylamino)carbonyl)oxy)-, methyl ester|Ethanimidothioic acid, 2-(dimethylamino)-N-[[(methylamino)carbonyl]oxy]-2-oxo-, methyl ester|Formidic acid, 1-(dimethylcarbamoyl)-N-((methylcarbamoyl)oxy)thio-, methyl ester|Insecticide-nematicide 1410|Methyl 1-(dimethylcarbamoyl)-N-(methylcarbamoyloxy)thioformimidate|Methyl 1-(dimethylcarbamoyl)-N-[(methylcarbamoyl)oxy]methaneimidothioate|Methyl 2-(dimethylamino)-N- [(methylcarbamoyl)oxy]-2-oxoethanimidothioate|Methyl 2-(dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxoethanimidothioate|methyl 2-(dimethylamino)-N-[(methylcarbamoyl)oxy]-2-o https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021086
ARPathway2016 ARPathway2016_1019 Oxamyl 23135-22-0 DTXSID6021086 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CNC(=O)ON=C(SC)C(=O)N(C)C Oxamyl 23135-22-0|Oxamyl|2-(Dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxoethanimidothioic acid methyl ester|2-Dimethylamino-1-(methylthio)glyoxal O-methylcarbamoylmonoxime|BRN 2050910|Carbamic acid, methyl-, O- [[[(dimethylcarbamoyl)methylthio]methylene]amino] deriv.|Caswell No. 561A|Dioxamyl|DPX 1410|DPX 1410L|Du Pont 1410|DuPont 1410|EC No.: 245-445-3|EINECS 245-445-3|EPA Pesticide Chemical Code 103801|Ethanimidothioic acid, 2-(dimethylamino)-N-(((methylamino)carbonyl)oxy)-, methyl ester|Ethanimidothioic acid, 2-(dimethylamino)-N-[[(methylamino)carbonyl]oxy]-2-oxo-, methyl ester|Formidic acid, 1-(dimethylcarbamoyl)-N-((methylcarbamoyl)oxy)thio-, methyl ester|Insecticide-nematicide 1410|Methyl 1-(dimethylcarbamoyl)-N-(methylcarbamoyloxy)thioformimidate|Methyl 1-(dimethylcarbamoyl)-N-[(methylcarbamoyl)oxy]methaneimidothioate|Methyl 2-(dimethylamino)-N- [(methylcarbamoyl)oxy]-2-oxoethanimidothioate|Methyl 2-(dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxoethanimidothioate|methyl 2-(dimethylamino)-N-[(methylcarbamoyl)oxy]-2-o https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021086
ERPathway2016 ERPathway2016_810 Oxamyl 23135-22-0 DTXSID6021086 A13 ER Pathway Model, Agonist Model Score 0 Unitless CNC(=O)ON=C(SC)C(=O)N(C)C Oxamyl 23135-22-0|Oxamyl|2-(Dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxoethanimidothioic acid methyl ester|2-Dimethylamino-1-(methylthio)glyoxal O-methylcarbamoylmonoxime|BRN 2050910|Carbamic acid, methyl-, O- [[[(dimethylcarbamoyl)methylthio]methylene]amino] deriv.|Caswell No. 561A|Dioxamyl|DPX 1410|DPX 1410L|Du Pont 1410|DuPont 1410|EC No.: 245-445-3|EINECS 245-445-3|EPA Pesticide Chemical Code 103801|Ethanimidothioic acid, 2-(dimethylamino)-N-(((methylamino)carbonyl)oxy)-, methyl ester|Ethanimidothioic acid, 2-(dimethylamino)-N-[[(methylamino)carbonyl]oxy]-2-oxo-, methyl ester|Formidic acid, 1-(dimethylcarbamoyl)-N-((methylcarbamoyl)oxy)thio-, methyl ester|Insecticide-nematicide 1410|Methyl 1-(dimethylcarbamoyl)-N-(methylcarbamoyloxy)thioformimidate|Methyl 1-(dimethylcarbamoyl)-N-[(methylcarbamoyl)oxy]methaneimidothioate|Methyl 2-(dimethylamino)-N- [(methylcarbamoyl)oxy]-2-oxoethanimidothioate|Methyl 2-(dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxoethanimidothioate|methyl 2-(dimethylamino)-N-[(methylcarbamoyl)oxy]-2-o https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021086
ERPathway2016 ERPathway2016_810 Oxamyl 23135-22-0 DTXSID6021086 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)ON=C(SC)C(=O)N(C)C Oxamyl 23135-22-0|Oxamyl|2-(Dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxoethanimidothioic acid methyl ester|2-Dimethylamino-1-(methylthio)glyoxal O-methylcarbamoylmonoxime|BRN 2050910|Carbamic acid, methyl-, O- [[[(dimethylcarbamoyl)methylthio]methylene]amino] deriv.|Caswell No. 561A|Dioxamyl|DPX 1410|DPX 1410L|Du Pont 1410|DuPont 1410|EC No.: 245-445-3|EINECS 245-445-3|EPA Pesticide Chemical Code 103801|Ethanimidothioic acid, 2-(dimethylamino)-N-(((methylamino)carbonyl)oxy)-, methyl ester|Ethanimidothioic acid, 2-(dimethylamino)-N-[[(methylamino)carbonyl]oxy]-2-oxo-, methyl ester|Formidic acid, 1-(dimethylcarbamoyl)-N-((methylcarbamoyl)oxy)thio-, methyl ester|Insecticide-nematicide 1410|Methyl 1-(dimethylcarbamoyl)-N-(methylcarbamoyloxy)thioformimidate|Methyl 1-(dimethylcarbamoyl)-N-[(methylcarbamoyl)oxy]methaneimidothioate|Methyl 2-(dimethylamino)-N- [(methylcarbamoyl)oxy]-2-oxoethanimidothioate|Methyl 2-(dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxoethanimidothioate|methyl 2-(dimethylamino)-N-[(methylcarbamoyl)oxy]-2-o https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021086
ERPathway2016 ERPathway2016_810 Oxamyl 23135-22-0 DTXSID6021086 A13 ER Pathway Model, Agonist Call Inactive Unitless CNC(=O)ON=C(SC)C(=O)N(C)C Oxamyl 23135-22-0|Oxamyl|2-(Dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxoethanimidothioic acid methyl ester|2-Dimethylamino-1-(methylthio)glyoxal O-methylcarbamoylmonoxime|BRN 2050910|Carbamic acid, methyl-, O- [[[(dimethylcarbamoyl)methylthio]methylene]amino] deriv.|Caswell No. 561A|Dioxamyl|DPX 1410|DPX 1410L|Du Pont 1410|DuPont 1410|EC No.: 245-445-3|EINECS 245-445-3|EPA Pesticide Chemical Code 103801|Ethanimidothioic acid, 2-(dimethylamino)-N-(((methylamino)carbonyl)oxy)-, methyl ester|Ethanimidothioic acid, 2-(dimethylamino)-N-[[(methylamino)carbonyl]oxy]-2-oxo-, methyl ester|Formidic acid, 1-(dimethylcarbamoyl)-N-((methylcarbamoyl)oxy)thio-, methyl ester|Insecticide-nematicide 1410|Methyl 1-(dimethylcarbamoyl)-N-(methylcarbamoyloxy)thioformimidate|Methyl 1-(dimethylcarbamoyl)-N-[(methylcarbamoyl)oxy]methaneimidothioate|Methyl 2-(dimethylamino)-N- [(methylcarbamoyl)oxy]-2-oxoethanimidothioate|Methyl 2-(dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxoethanimidothioate|methyl 2-(dimethylamino)-N-[(methylcarbamoyl)oxy]-2-o https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021086
ERPathway2016 ERPathway2016_810 Oxamyl 23135-22-0 DTXSID6021086 A13 ER Pathway Model, Antagonist Call Inactive Unitless CNC(=O)ON=C(SC)C(=O)N(C)C Oxamyl 23135-22-0|Oxamyl|2-(Dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxoethanimidothioic acid methyl ester|2-Dimethylamino-1-(methylthio)glyoxal O-methylcarbamoylmonoxime|BRN 2050910|Carbamic acid, methyl-, O- [[[(dimethylcarbamoyl)methylthio]methylene]amino] deriv.|Caswell No. 561A|Dioxamyl|DPX 1410|DPX 1410L|Du Pont 1410|DuPont 1410|EC No.: 245-445-3|EINECS 245-445-3|EPA Pesticide Chemical Code 103801|Ethanimidothioic acid, 2-(dimethylamino)-N-(((methylamino)carbonyl)oxy)-, methyl ester|Ethanimidothioic acid, 2-(dimethylamino)-N-[[(methylamino)carbonyl]oxy]-2-oxo-, methyl ester|Formidic acid, 1-(dimethylcarbamoyl)-N-((methylcarbamoyl)oxy)thio-, methyl ester|Insecticide-nematicide 1410|Methyl 1-(dimethylcarbamoyl)-N-(methylcarbamoyloxy)thioformimidate|Methyl 1-(dimethylcarbamoyl)-N-[(methylcarbamoyl)oxy]methaneimidothioate|Methyl 2-(dimethylamino)-N- [(methylcarbamoyl)oxy]-2-oxoethanimidothioate|Methyl 2-(dimethylamino)-N-(((methylamino)carbonyl)oxy)-2-oxoethanimidothioate|methyl 2-(dimethylamino)-N-[(methylcarbamoyl)oxy]-2-o https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021086
ARPathway2016 ARPathway2016_376 Oxazepam 604-75-1 DTXSID1021087 2.0 Agonist AR Pathway Model, Antagonist AC50 6.01637522085531 uM OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O Oxazepam 604-75-1|Oxazepam|(.+-.)-Oxazepam|(+-)-Oxazepam|(RS)-Oxazepam|1,3-Dihydro-7-chloro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-|3-Hydroxynordiazepam|7-Chloro-1, 3-dihydro-3-hydroxy-5-phenyl-2H-1, 4-benzodiazepin-2-one|7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|7-Chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one|Abboxapam|Adumbran|Ansioxacepam|Anxiolit|Anxiolit retard|Aplakil|Astress|Azutranquil|Drimuel|Droxacepam|Durazepam|EINECS 210-076-9|Enidrel|Hi-Long|Lederpam|Limbial|Murelax|N-Desmethyltemazepam|Nesontil|Noctazepam|Nortemazepam|Nozepam|NSC 169448|Ossazepam|Oxa-puren|oxazepamo|Oxazepamum|Pacienx|Praxiten|Psiquiwas|Quilibrex|Sedigoa|Serax|Serenal|Serenid|Serepax|Seresta|Sigacalm|Tarchomin|Tazepam|Tranquo-buscopan-wirkstoff|UNII-6GOW6DWN2A|Zaxopam https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021087 https://doi.org/10.22427/NTP-DATA-DTXSID1021087
ARPathway2016 ARPathway2016_376 Oxazepam 604-75-1 DTXSID1021087 2.0 Agonist AR Pathway Model, Antagonist ACC 5.83650315997934 uM OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O Oxazepam 604-75-1|Oxazepam|(.+-.)-Oxazepam|(+-)-Oxazepam|(RS)-Oxazepam|1,3-Dihydro-7-chloro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-|3-Hydroxynordiazepam|7-Chloro-1, 3-dihydro-3-hydroxy-5-phenyl-2H-1, 4-benzodiazepin-2-one|7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|7-Chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one|Abboxapam|Adumbran|Ansioxacepam|Anxiolit|Anxiolit retard|Aplakil|Astress|Azutranquil|Drimuel|Droxacepam|Durazepam|EINECS 210-076-9|Enidrel|Hi-Long|Lederpam|Limbial|Murelax|N-Desmethyltemazepam|Nesontil|Noctazepam|Nortemazepam|Nozepam|NSC 169448|Ossazepam|Oxa-puren|oxazepamo|Oxazepamum|Pacienx|Praxiten|Psiquiwas|Quilibrex|Sedigoa|Serax|Serenal|Serenid|Serepax|Seresta|Sigacalm|Tarchomin|Tazepam|Tranquo-buscopan-wirkstoff|UNII-6GOW6DWN2A|Zaxopam https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021087 https://doi.org/10.22427/NTP-DATA-DTXSID1021087
ARPathway2016 ARPathway2016_376 Oxazepam 604-75-1 DTXSID1021087 2.0 Agonist AR Pathway Model, Antagonist Model Score 0.0896 Unitless OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O Oxazepam 604-75-1|Oxazepam|(.+-.)-Oxazepam|(+-)-Oxazepam|(RS)-Oxazepam|1,3-Dihydro-7-chloro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-|3-Hydroxynordiazepam|7-Chloro-1, 3-dihydro-3-hydroxy-5-phenyl-2H-1, 4-benzodiazepin-2-one|7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|7-Chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one|Abboxapam|Adumbran|Ansioxacepam|Anxiolit|Anxiolit retard|Aplakil|Astress|Azutranquil|Drimuel|Droxacepam|Durazepam|EINECS 210-076-9|Enidrel|Hi-Long|Lederpam|Limbial|Murelax|N-Desmethyltemazepam|Nesontil|Noctazepam|Nortemazepam|Nozepam|NSC 169448|Ossazepam|Oxa-puren|oxazepamo|Oxazepamum|Pacienx|Praxiten|Psiquiwas|Quilibrex|Sedigoa|Serax|Serenal|Serenid|Serepax|Seresta|Sigacalm|Tarchomin|Tazepam|Tranquo-buscopan-wirkstoff|UNII-6GOW6DWN2A|Zaxopam https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021087 https://doi.org/10.22427/NTP-DATA-DTXSID1021087
ARPathway2016 ARPathway2016_376 Oxazepam 604-75-1 DTXSID1021087 2.0 Agonist AR Pathway Model, Agonist Model Score 0.161 Unitless OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O Oxazepam 604-75-1|Oxazepam|(.+-.)-Oxazepam|(+-)-Oxazepam|(RS)-Oxazepam|1,3-Dihydro-7-chloro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-|3-Hydroxynordiazepam|7-Chloro-1, 3-dihydro-3-hydroxy-5-phenyl-2H-1, 4-benzodiazepin-2-one|7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|7-Chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one|Abboxapam|Adumbran|Ansioxacepam|Anxiolit|Anxiolit retard|Aplakil|Astress|Azutranquil|Drimuel|Droxacepam|Durazepam|EINECS 210-076-9|Enidrel|Hi-Long|Lederpam|Limbial|Murelax|N-Desmethyltemazepam|Nesontil|Noctazepam|Nortemazepam|Nozepam|NSC 169448|Ossazepam|Oxa-puren|oxazepamo|Oxazepamum|Pacienx|Praxiten|Psiquiwas|Quilibrex|Sedigoa|Serax|Serenal|Serenid|Serepax|Seresta|Sigacalm|Tarchomin|Tazepam|Tranquo-buscopan-wirkstoff|UNII-6GOW6DWN2A|Zaxopam https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021087 https://doi.org/10.22427/NTP-DATA-DTXSID1021087
ARPathway2016 ARPathway2016_376 Oxazepam 604-75-1 DTXSID1021087 2.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O Oxazepam 604-75-1|Oxazepam|(.+-.)-Oxazepam|(+-)-Oxazepam|(RS)-Oxazepam|1,3-Dihydro-7-chloro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-|3-Hydroxynordiazepam|7-Chloro-1, 3-dihydro-3-hydroxy-5-phenyl-2H-1, 4-benzodiazepin-2-one|7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|7-Chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one|Abboxapam|Adumbran|Ansioxacepam|Anxiolit|Anxiolit retard|Aplakil|Astress|Azutranquil|Drimuel|Droxacepam|Durazepam|EINECS 210-076-9|Enidrel|Hi-Long|Lederpam|Limbial|Murelax|N-Desmethyltemazepam|Nesontil|Noctazepam|Nortemazepam|Nozepam|NSC 169448|Ossazepam|Oxa-puren|oxazepamo|Oxazepamum|Pacienx|Praxiten|Psiquiwas|Quilibrex|Sedigoa|Serax|Serenal|Serenid|Serepax|Seresta|Sigacalm|Tarchomin|Tazepam|Tranquo-buscopan-wirkstoff|UNII-6GOW6DWN2A|Zaxopam https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021087 https://doi.org/10.22427/NTP-DATA-DTXSID1021087
ARPathway2016 ARPathway2016_376 Oxazepam 604-75-1 DTXSID1021087 2.0 Agonist AR Pathway Model, Antagonist Call Active Unitless OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O Oxazepam 604-75-1|Oxazepam|(.+-.)-Oxazepam|(+-)-Oxazepam|(RS)-Oxazepam|1,3-Dihydro-7-chloro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-|3-Hydroxynordiazepam|7-Chloro-1, 3-dihydro-3-hydroxy-5-phenyl-2H-1, 4-benzodiazepin-2-one|7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|7-Chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one|Abboxapam|Adumbran|Ansioxacepam|Anxiolit|Anxiolit retard|Aplakil|Astress|Azutranquil|Drimuel|Droxacepam|Durazepam|EINECS 210-076-9|Enidrel|Hi-Long|Lederpam|Limbial|Murelax|N-Desmethyltemazepam|Nesontil|Noctazepam|Nortemazepam|Nozepam|NSC 169448|Ossazepam|Oxa-puren|oxazepamo|Oxazepamum|Pacienx|Praxiten|Psiquiwas|Quilibrex|Sedigoa|Serax|Serenal|Serenid|Serepax|Seresta|Sigacalm|Tarchomin|Tazepam|Tranquo-buscopan-wirkstoff|UNII-6GOW6DWN2A|Zaxopam https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021087 https://doi.org/10.22427/NTP-DATA-DTXSID1021087
ERPathway2016 ERPathway2016_485 Oxazepam 604-75-1 DTXSID1021087 R6 ER Pathway Model, Antagonist AC50 1.29546125320655 uM OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O Oxazepam 604-75-1|Oxazepam|(.+-.)-Oxazepam|(+-)-Oxazepam|(RS)-Oxazepam|1,3-Dihydro-7-chloro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-|3-Hydroxynordiazepam|7-Chloro-1, 3-dihydro-3-hydroxy-5-phenyl-2H-1, 4-benzodiazepin-2-one|7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|7-Chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one|Abboxapam|Adumbran|Ansioxacepam|Anxiolit|Anxiolit retard|Aplakil|Astress|Azutranquil|Drimuel|Droxacepam|Durazepam|EINECS 210-076-9|Enidrel|Hi-Long|Lederpam|Limbial|Murelax|N-Desmethyltemazepam|Nesontil|Noctazepam|Nortemazepam|Nozepam|NSC 169448|Ossazepam|Oxa-puren|oxazepamo|Oxazepamum|Pacienx|Praxiten|Psiquiwas|Quilibrex|Sedigoa|Serax|Serenal|Serenid|Serepax|Seresta|Sigacalm|Tarchomin|Tazepam|Tranquo-buscopan-wirkstoff|UNII-6GOW6DWN2A|Zaxopam https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021087 https://doi.org/10.22427/NTP-DATA-DTXSID1021087
ERPathway2016 ERPathway2016_485 Oxazepam 604-75-1 DTXSID1021087 R6 ER Pathway Model, Antagonist ACC 1.07733240022923 uM OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O Oxazepam 604-75-1|Oxazepam|(.+-.)-Oxazepam|(+-)-Oxazepam|(RS)-Oxazepam|1,3-Dihydro-7-chloro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-|3-Hydroxynordiazepam|7-Chloro-1, 3-dihydro-3-hydroxy-5-phenyl-2H-1, 4-benzodiazepin-2-one|7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|7-Chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one|Abboxapam|Adumbran|Ansioxacepam|Anxiolit|Anxiolit retard|Aplakil|Astress|Azutranquil|Drimuel|Droxacepam|Durazepam|EINECS 210-076-9|Enidrel|Hi-Long|Lederpam|Limbial|Murelax|N-Desmethyltemazepam|Nesontil|Noctazepam|Nortemazepam|Nozepam|NSC 169448|Ossazepam|Oxa-puren|oxazepamo|Oxazepamum|Pacienx|Praxiten|Psiquiwas|Quilibrex|Sedigoa|Serax|Serenal|Serenid|Serepax|Seresta|Sigacalm|Tarchomin|Tazepam|Tranquo-buscopan-wirkstoff|UNII-6GOW6DWN2A|Zaxopam https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021087 https://doi.org/10.22427/NTP-DATA-DTXSID1021087
ERPathway2016 ERPathway2016_485 Oxazepam 604-75-1 DTXSID1021087 R6 ER Pathway Model, Agonist Model Score 0.00109 Unitless OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O Oxazepam 604-75-1|Oxazepam|(.+-.)-Oxazepam|(+-)-Oxazepam|(RS)-Oxazepam|1,3-Dihydro-7-chloro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-|3-Hydroxynordiazepam|7-Chloro-1, 3-dihydro-3-hydroxy-5-phenyl-2H-1, 4-benzodiazepin-2-one|7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|7-Chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one|Abboxapam|Adumbran|Ansioxacepam|Anxiolit|Anxiolit retard|Aplakil|Astress|Azutranquil|Drimuel|Droxacepam|Durazepam|EINECS 210-076-9|Enidrel|Hi-Long|Lederpam|Limbial|Murelax|N-Desmethyltemazepam|Nesontil|Noctazepam|Nortemazepam|Nozepam|NSC 169448|Ossazepam|Oxa-puren|oxazepamo|Oxazepamum|Pacienx|Praxiten|Psiquiwas|Quilibrex|Sedigoa|Serax|Serenal|Serenid|Serepax|Seresta|Sigacalm|Tarchomin|Tazepam|Tranquo-buscopan-wirkstoff|UNII-6GOW6DWN2A|Zaxopam https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021087 https://doi.org/10.22427/NTP-DATA-DTXSID1021087
ERPathway2016 ERPathway2016_485 Oxazepam 604-75-1 DTXSID1021087 R6 ER Pathway Model, Antagonist Model Score 0 Unitless OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O Oxazepam 604-75-1|Oxazepam|(.+-.)-Oxazepam|(+-)-Oxazepam|(RS)-Oxazepam|1,3-Dihydro-7-chloro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-|3-Hydroxynordiazepam|7-Chloro-1, 3-dihydro-3-hydroxy-5-phenyl-2H-1, 4-benzodiazepin-2-one|7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|7-Chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one|Abboxapam|Adumbran|Ansioxacepam|Anxiolit|Anxiolit retard|Aplakil|Astress|Azutranquil|Drimuel|Droxacepam|Durazepam|EINECS 210-076-9|Enidrel|Hi-Long|Lederpam|Limbial|Murelax|N-Desmethyltemazepam|Nesontil|Noctazepam|Nortemazepam|Nozepam|NSC 169448|Ossazepam|Oxa-puren|oxazepamo|Oxazepamum|Pacienx|Praxiten|Psiquiwas|Quilibrex|Sedigoa|Serax|Serenal|Serenid|Serepax|Seresta|Sigacalm|Tarchomin|Tazepam|Tranquo-buscopan-wirkstoff|UNII-6GOW6DWN2A|Zaxopam https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021087 https://doi.org/10.22427/NTP-DATA-DTXSID1021087
ERPathway2016 ERPathway2016_485 Oxazepam 604-75-1 DTXSID1021087 R6 ER Pathway Model, Agonist Call Inactive Unitless OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O Oxazepam 604-75-1|Oxazepam|(.+-.)-Oxazepam|(+-)-Oxazepam|(RS)-Oxazepam|1,3-Dihydro-7-chloro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-|3-Hydroxynordiazepam|7-Chloro-1, 3-dihydro-3-hydroxy-5-phenyl-2H-1, 4-benzodiazepin-2-one|7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|7-Chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one|Abboxapam|Adumbran|Ansioxacepam|Anxiolit|Anxiolit retard|Aplakil|Astress|Azutranquil|Drimuel|Droxacepam|Durazepam|EINECS 210-076-9|Enidrel|Hi-Long|Lederpam|Limbial|Murelax|N-Desmethyltemazepam|Nesontil|Noctazepam|Nortemazepam|Nozepam|NSC 169448|Ossazepam|Oxa-puren|oxazepamo|Oxazepamum|Pacienx|Praxiten|Psiquiwas|Quilibrex|Sedigoa|Serax|Serenal|Serenid|Serepax|Seresta|Sigacalm|Tarchomin|Tazepam|Tranquo-buscopan-wirkstoff|UNII-6GOW6DWN2A|Zaxopam https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021087 https://doi.org/10.22427/NTP-DATA-DTXSID1021087
ERPathway2016 ERPathway2016_485 Oxazepam 604-75-1 DTXSID1021087 R6 ER Pathway Model, Antagonist Call Active Unitless OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O Oxazepam 604-75-1|Oxazepam|(.+-.)-Oxazepam|(+-)-Oxazepam|(RS)-Oxazepam|1,3-Dihydro-7-chloro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-|3-Hydroxynordiazepam|7-Chloro-1, 3-dihydro-3-hydroxy-5-phenyl-2H-1, 4-benzodiazepin-2-one|7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one|7-Chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one|Abboxapam|Adumbran|Ansioxacepam|Anxiolit|Anxiolit retard|Aplakil|Astress|Azutranquil|Drimuel|Droxacepam|Durazepam|EINECS 210-076-9|Enidrel|Hi-Long|Lederpam|Limbial|Murelax|N-Desmethyltemazepam|Nesontil|Noctazepam|Nortemazepam|Nozepam|NSC 169448|Ossazepam|Oxa-puren|oxazepamo|Oxazepamum|Pacienx|Praxiten|Psiquiwas|Quilibrex|Sedigoa|Serax|Serenal|Serenid|Serepax|Seresta|Sigacalm|Tarchomin|Tazepam|Tranquo-buscopan-wirkstoff|UNII-6GOW6DWN2A|Zaxopam https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021087 https://doi.org/10.22427/NTP-DATA-DTXSID1021087
ARPathway2016 ARPathway2016_1201 Oxyfluorfen 42874-03-3 DTXSID7024241 True antagonist shift (No hit/Hit) 2.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O Oxyfluorfen 42874-03-3|Oxyfluorfen|2-Chlor-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluormethyl)benzol|2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene|2-Chloro-1-(3-ethoxy-4-nitrophenoxy)-4-trifluoromethylbenzene|2-Chloro-4-trifluoromethylphenyl 3-ethoxy-4-nitrophenyl ether|2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyl-3-ethoxy-4-nitrophenyl ether|2-cloro-1-(3-etoxi-4-nitrofenoxi)-4-(trifluorometil)benceno|2'-Chloro-3-ethoxy-4'-trifluoromethyl-4-nitrodiphenyl ether|4-Trifluoromethyl-2-chloro-3'-ethoxy-4'-nitrophenyl ether|Benzene, 2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)-|Boxer (Obs.)|BRN 2065259|Caswell No. 188AAA|EINECS 255-983-0|EPA Pesticide Chemical Code 111601|Galigan|Goldate|OXYFLUOREN|Oxyfluorfene|Oxygold|UNII-46GY4Y6567|XDE-795|55599-40-1|55840-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024241
ARPathway2016 ARPathway2016_1201 Oxyfluorfen 42874-03-3 DTXSID7024241 True antagonist shift (No hit/Hit) 2.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CCOC1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O Oxyfluorfen 42874-03-3|Oxyfluorfen|2-Chlor-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluormethyl)benzol|2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene|2-Chloro-1-(3-ethoxy-4-nitrophenoxy)-4-trifluoromethylbenzene|2-Chloro-4-trifluoromethylphenyl 3-ethoxy-4-nitrophenyl ether|2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyl-3-ethoxy-4-nitrophenyl ether|2-cloro-1-(3-etoxi-4-nitrofenoxi)-4-(trifluorometil)benceno|2'-Chloro-3-ethoxy-4'-trifluoromethyl-4-nitrodiphenyl ether|4-Trifluoromethyl-2-chloro-3'-ethoxy-4'-nitrophenyl ether|Benzene, 2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)-|Boxer (Obs.)|BRN 2065259|Caswell No. 188AAA|EINECS 255-983-0|EPA Pesticide Chemical Code 111601|Galigan|Goldate|OXYFLUOREN|Oxyfluorfene|Oxygold|UNII-46GY4Y6567|XDE-795|55599-40-1|55840-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024241
ARPathway2016 ARPathway2016_1201 Oxyfluorfen 42874-03-3 DTXSID7024241 True antagonist shift (No hit/Hit) 2.0 R7 AR Pathway Model, Agonist Call Inactive Unitless CCOC1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O Oxyfluorfen 42874-03-3|Oxyfluorfen|2-Chlor-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluormethyl)benzol|2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene|2-Chloro-1-(3-ethoxy-4-nitrophenoxy)-4-trifluoromethylbenzene|2-Chloro-4-trifluoromethylphenyl 3-ethoxy-4-nitrophenyl ether|2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyl-3-ethoxy-4-nitrophenyl ether|2-cloro-1-(3-etoxi-4-nitrofenoxi)-4-(trifluorometil)benceno|2'-Chloro-3-ethoxy-4'-trifluoromethyl-4-nitrodiphenyl ether|4-Trifluoromethyl-2-chloro-3'-ethoxy-4'-nitrophenyl ether|Benzene, 2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)-|Boxer (Obs.)|BRN 2065259|Caswell No. 188AAA|EINECS 255-983-0|EPA Pesticide Chemical Code 111601|Galigan|Goldate|OXYFLUOREN|Oxyfluorfene|Oxygold|UNII-46GY4Y6567|XDE-795|55599-40-1|55840-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024241
ARPathway2016 ARPathway2016_1201 Oxyfluorfen 42874-03-3 DTXSID7024241 True antagonist shift (No hit/Hit) 2.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CCOC1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O Oxyfluorfen 42874-03-3|Oxyfluorfen|2-Chlor-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluormethyl)benzol|2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene|2-Chloro-1-(3-ethoxy-4-nitrophenoxy)-4-trifluoromethylbenzene|2-Chloro-4-trifluoromethylphenyl 3-ethoxy-4-nitrophenyl ether|2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyl-3-ethoxy-4-nitrophenyl ether|2-cloro-1-(3-etoxi-4-nitrofenoxi)-4-(trifluorometil)benceno|2'-Chloro-3-ethoxy-4'-trifluoromethyl-4-nitrodiphenyl ether|4-Trifluoromethyl-2-chloro-3'-ethoxy-4'-nitrophenyl ether|Benzene, 2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)-|Boxer (Obs.)|BRN 2065259|Caswell No. 188AAA|EINECS 255-983-0|EPA Pesticide Chemical Code 111601|Galigan|Goldate|OXYFLUOREN|Oxyfluorfene|Oxygold|UNII-46GY4Y6567|XDE-795|55599-40-1|55840-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024241
ERPathway2016 ERPathway2016_759 Oxyfluorfen 42874-03-3 DTXSID7024241 ER Pathway Model, Agonist Model Score 0 Unitless CCOC1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O Oxyfluorfen 42874-03-3|Oxyfluorfen|2-Chlor-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluormethyl)benzol|2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene|2-Chloro-1-(3-ethoxy-4-nitrophenoxy)-4-trifluoromethylbenzene|2-Chloro-4-trifluoromethylphenyl 3-ethoxy-4-nitrophenyl ether|2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyl-3-ethoxy-4-nitrophenyl ether|2-cloro-1-(3-etoxi-4-nitrofenoxi)-4-(trifluorometil)benceno|2'-Chloro-3-ethoxy-4'-trifluoromethyl-4-nitrodiphenyl ether|4-Trifluoromethyl-2-chloro-3'-ethoxy-4'-nitrophenyl ether|Benzene, 2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)-|Boxer (Obs.)|BRN 2065259|Caswell No. 188AAA|EINECS 255-983-0|EPA Pesticide Chemical Code 111601|Galigan|Goldate|OXYFLUOREN|Oxyfluorfene|Oxygold|UNII-46GY4Y6567|XDE-795|55599-40-1|55840-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024241
ERPathway2016 ERPathway2016_759 Oxyfluorfen 42874-03-3 DTXSID7024241 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O Oxyfluorfen 42874-03-3|Oxyfluorfen|2-Chlor-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluormethyl)benzol|2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene|2-Chloro-1-(3-ethoxy-4-nitrophenoxy)-4-trifluoromethylbenzene|2-Chloro-4-trifluoromethylphenyl 3-ethoxy-4-nitrophenyl ether|2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyl-3-ethoxy-4-nitrophenyl ether|2-cloro-1-(3-etoxi-4-nitrofenoxi)-4-(trifluorometil)benceno|2'-Chloro-3-ethoxy-4'-trifluoromethyl-4-nitrodiphenyl ether|4-Trifluoromethyl-2-chloro-3'-ethoxy-4'-nitrophenyl ether|Benzene, 2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)-|Boxer (Obs.)|BRN 2065259|Caswell No. 188AAA|EINECS 255-983-0|EPA Pesticide Chemical Code 111601|Galigan|Goldate|OXYFLUOREN|Oxyfluorfene|Oxygold|UNII-46GY4Y6567|XDE-795|55599-40-1|55840-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024241
ERPathway2016 ERPathway2016_759 Oxyfluorfen 42874-03-3 DTXSID7024241 ER Pathway Model, Agonist Call Inactive Unitless CCOC1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O Oxyfluorfen 42874-03-3|Oxyfluorfen|2-Chlor-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluormethyl)benzol|2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene|2-Chloro-1-(3-ethoxy-4-nitrophenoxy)-4-trifluoromethylbenzene|2-Chloro-4-trifluoromethylphenyl 3-ethoxy-4-nitrophenyl ether|2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyl-3-ethoxy-4-nitrophenyl ether|2-cloro-1-(3-etoxi-4-nitrofenoxi)-4-(trifluorometil)benceno|2'-Chloro-3-ethoxy-4'-trifluoromethyl-4-nitrodiphenyl ether|4-Trifluoromethyl-2-chloro-3'-ethoxy-4'-nitrophenyl ether|Benzene, 2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)-|Boxer (Obs.)|BRN 2065259|Caswell No. 188AAA|EINECS 255-983-0|EPA Pesticide Chemical Code 111601|Galigan|Goldate|OXYFLUOREN|Oxyfluorfene|Oxygold|UNII-46GY4Y6567|XDE-795|55599-40-1|55840-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024241
ERPathway2016 ERPathway2016_759 Oxyfluorfen 42874-03-3 DTXSID7024241 ER Pathway Model, Antagonist Call Inactive Unitless CCOC1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O Oxyfluorfen 42874-03-3|Oxyfluorfen|2-Chlor-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluormethyl)benzol|2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene|2-Chloro-1-(3-ethoxy-4-nitrophenoxy)-4-trifluoromethylbenzene|2-Chloro-4-trifluoromethylphenyl 3-ethoxy-4-nitrophenyl ether|2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyl-3-ethoxy-4-nitrophenyl ether|2-cloro-1-(3-etoxi-4-nitrofenoxi)-4-(trifluorometil)benceno|2'-Chloro-3-ethoxy-4'-trifluoromethyl-4-nitrodiphenyl ether|4-Trifluoromethyl-2-chloro-3'-ethoxy-4'-nitrophenyl ether|Benzene, 2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)-|Boxer (Obs.)|BRN 2065259|Caswell No. 188AAA|EINECS 255-983-0|EPA Pesticide Chemical Code 111601|Galigan|Goldate|OXYFLUOREN|Oxyfluorfene|Oxygold|UNII-46GY4Y6567|XDE-795|55599-40-1|55840-24-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024241
ARPathway2016 ARPathway2016_1591 Oxytetracycline 79-57-2 DTXSID1034260 1.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C Oxytetracycline 79-57-2|Oxytetracycline|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.))-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, [4S-(4a,4aa,5a,5aa,6b,12aa)]-|4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|4-14-00-02633|5-Hydroxytetracycline|Abbocin|Adamycin|Antibiotic TM 25|Berkmycen|Biostat|Biostat PA|BRN 2714587|Dabicycline|EINECS 201-212-8|Fanterrin|Geomycin|Geotilin|Imperacin|Lenocycline|Liquamycin|Liquamycin LA 200|Macocyn|Mycoshield TMQTHC 20|NCI-C56473|NSC 9169|NSC-9169||102287-29-6|103351-03-7|105145-10-6|106216-57-3|1135442-00-0|1256964-22-3|1405-95-4|21645-09-0|52214-46-7|856305-69-6|909261-39-8|96310-42-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034260
ARPathway2016 ARPathway2016_1591 Oxytetracycline 79-57-2 DTXSID1034260 1.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C Oxytetracycline 79-57-2|Oxytetracycline|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.))-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, [4S-(4a,4aa,5a,5aa,6b,12aa)]-|4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|4-14-00-02633|5-Hydroxytetracycline|Abbocin|Adamycin|Antibiotic TM 25|Berkmycen|Biostat|Biostat PA|BRN 2714587|Dabicycline|EINECS 201-212-8|Fanterrin|Geomycin|Geotilin|Imperacin|Lenocycline|Liquamycin|Liquamycin LA 200|Macocyn|Mycoshield TMQTHC 20|NCI-C56473|NSC 9169|NSC-9169||102287-29-6|103351-03-7|105145-10-6|106216-57-3|1135442-00-0|1256964-22-3|1405-95-4|21645-09-0|52214-46-7|856305-69-6|909261-39-8|96310-42-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034260
ARPathway2016 ARPathway2016_1591 Oxytetracycline 79-57-2 DTXSID1034260 1.0 A3 AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C Oxytetracycline 79-57-2|Oxytetracycline|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.))-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, [4S-(4a,4aa,5a,5aa,6b,12aa)]-|4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|4-14-00-02633|5-Hydroxytetracycline|Abbocin|Adamycin|Antibiotic TM 25|Berkmycen|Biostat|Biostat PA|BRN 2714587|Dabicycline|EINECS 201-212-8|Fanterrin|Geomycin|Geotilin|Imperacin|Lenocycline|Liquamycin|Liquamycin LA 200|Macocyn|Mycoshield TMQTHC 20|NCI-C56473|NSC 9169|NSC-9169||102287-29-6|103351-03-7|105145-10-6|106216-57-3|1135442-00-0|1256964-22-3|1405-95-4|21645-09-0|52214-46-7|856305-69-6|909261-39-8|96310-42-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034260
ARPathway2016 ARPathway2016_1591 Oxytetracycline 79-57-2 DTXSID1034260 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C Oxytetracycline 79-57-2|Oxytetracycline|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.))-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, [4S-(4a,4aa,5a,5aa,6b,12aa)]-|4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|4-14-00-02633|5-Hydroxytetracycline|Abbocin|Adamycin|Antibiotic TM 25|Berkmycen|Biostat|Biostat PA|BRN 2714587|Dabicycline|EINECS 201-212-8|Fanterrin|Geomycin|Geotilin|Imperacin|Lenocycline|Liquamycin|Liquamycin LA 200|Macocyn|Mycoshield TMQTHC 20|NCI-C56473|NSC 9169|NSC-9169||102287-29-6|103351-03-7|105145-10-6|106216-57-3|1135442-00-0|1256964-22-3|1405-95-4|21645-09-0|52214-46-7|856305-69-6|909261-39-8|96310-42-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034260
ERPathway2016 ERPathway2016_1676 Oxytetracycline 79-57-2 DTXSID1034260 ER Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C Oxytetracycline 79-57-2|Oxytetracycline|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.))-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, [4S-(4a,4aa,5a,5aa,6b,12aa)]-|4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|4-14-00-02633|5-Hydroxytetracycline|Abbocin|Adamycin|Antibiotic TM 25|Berkmycen|Biostat|Biostat PA|BRN 2714587|Dabicycline|EINECS 201-212-8|Fanterrin|Geomycin|Geotilin|Imperacin|Lenocycline|Liquamycin|Liquamycin LA 200|Macocyn|Mycoshield TMQTHC 20|NCI-C56473|NSC 9169|NSC-9169||102287-29-6|103351-03-7|105145-10-6|106216-57-3|1135442-00-0|1256964-22-3|1405-95-4|21645-09-0|52214-46-7|856305-69-6|909261-39-8|96310-42-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034260
ERPathway2016 ERPathway2016_1676 Oxytetracycline 79-57-2 DTXSID1034260 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C Oxytetracycline 79-57-2|Oxytetracycline|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.))-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, [4S-(4a,4aa,5a,5aa,6b,12aa)]-|4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|4-14-00-02633|5-Hydroxytetracycline|Abbocin|Adamycin|Antibiotic TM 25|Berkmycen|Biostat|Biostat PA|BRN 2714587|Dabicycline|EINECS 201-212-8|Fanterrin|Geomycin|Geotilin|Imperacin|Lenocycline|Liquamycin|Liquamycin LA 200|Macocyn|Mycoshield TMQTHC 20|NCI-C56473|NSC 9169|NSC-9169||102287-29-6|103351-03-7|105145-10-6|106216-57-3|1135442-00-0|1256964-22-3|1405-95-4|21645-09-0|52214-46-7|856305-69-6|909261-39-8|96310-42-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034260
ERPathway2016 ERPathway2016_1676 Oxytetracycline 79-57-2 DTXSID1034260 ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C Oxytetracycline 79-57-2|Oxytetracycline|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.))-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, [4S-(4a,4aa,5a,5aa,6b,12aa)]-|4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|4-14-00-02633|5-Hydroxytetracycline|Abbocin|Adamycin|Antibiotic TM 25|Berkmycen|Biostat|Biostat PA|BRN 2714587|Dabicycline|EINECS 201-212-8|Fanterrin|Geomycin|Geotilin|Imperacin|Lenocycline|Liquamycin|Liquamycin LA 200|Macocyn|Mycoshield TMQTHC 20|NCI-C56473|NSC 9169|NSC-9169||102287-29-6|103351-03-7|105145-10-6|106216-57-3|1135442-00-0|1256964-22-3|1405-95-4|21645-09-0|52214-46-7|856305-69-6|909261-39-8|96310-42-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034260
ERPathway2016 ERPathway2016_1676 Oxytetracycline 79-57-2 DTXSID1034260 ER Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C Oxytetracycline 79-57-2|Oxytetracycline|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.))-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, [4S-(4a,4aa,5a,5aa,6b,12aa)]-|4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|4-14-00-02633|5-Hydroxytetracycline|Abbocin|Adamycin|Antibiotic TM 25|Berkmycen|Biostat|Biostat PA|BRN 2714587|Dabicycline|EINECS 201-212-8|Fanterrin|Geomycin|Geotilin|Imperacin|Lenocycline|Liquamycin|Liquamycin LA 200|Macocyn|Mycoshield TMQTHC 20|NCI-C56473|NSC 9169|NSC-9169||102287-29-6|103351-03-7|105145-10-6|106216-57-3|1135442-00-0|1256964-22-3|1405-95-4|21645-09-0|52214-46-7|856305-69-6|909261-39-8|96310-42-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034260
ARPathway2016 ARPathway2016_1401 Oxytetracycline dihydrate 6153-64-6 DTXSID4023412 1.0 A2 AR Pathway Model, Antagonist Model Score 0 Unitless O.O.[H][C@]12[C@H](O)C3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C(C=CC=C1O)[C@@]2(C)O Oxytetracycline dihydrate 6153-64-6|Oxytetracycline dihydrate|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, [4S-(4a,4aa,5a,5aa,6b,12aa)]-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, hydrate (1:2), (4S,4aR,5S,5aR,6S,12aS)-|5-Hydroxytetracycline dihydrate|Hydroxytetrazyklindihydrat|Neo-oxy 50/50|Nitox|Oxytetracyclini dihydras|Oxytetracyclinium dihydricum|Vetocycline DS|1259316-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023412
ARPathway2016 ARPathway2016_1401 Oxytetracycline dihydrate 6153-64-6 DTXSID4023412 1.0 A2 AR Pathway Model, Agonist Model Score 0 Unitless O.O.[H][C@]12[C@H](O)C3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C(C=CC=C1O)[C@@]2(C)O Oxytetracycline dihydrate 6153-64-6|Oxytetracycline dihydrate|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, [4S-(4a,4aa,5a,5aa,6b,12aa)]-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, hydrate (1:2), (4S,4aR,5S,5aR,6S,12aS)-|5-Hydroxytetracycline dihydrate|Hydroxytetrazyklindihydrat|Neo-oxy 50/50|Nitox|Oxytetracyclini dihydras|Oxytetracyclinium dihydricum|Vetocycline DS|1259316-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023412
ARPathway2016 ARPathway2016_1401 Oxytetracycline dihydrate 6153-64-6 DTXSID4023412 1.0 A2 AR Pathway Model, Agonist Call Inactive Unitless O.O.[H][C@]12[C@H](O)C3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C(C=CC=C1O)[C@@]2(C)O Oxytetracycline dihydrate 6153-64-6|Oxytetracycline dihydrate|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, [4S-(4a,4aa,5a,5aa,6b,12aa)]-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, hydrate (1:2), (4S,4aR,5S,5aR,6S,12aS)-|5-Hydroxytetracycline dihydrate|Hydroxytetrazyklindihydrat|Neo-oxy 50/50|Nitox|Oxytetracyclini dihydras|Oxytetracyclinium dihydricum|Vetocycline DS|1259316-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023412
ARPathway2016 ARPathway2016_1401 Oxytetracycline dihydrate 6153-64-6 DTXSID4023412 1.0 A2 AR Pathway Model, Antagonist Call Inactive Unitless O.O.[H][C@]12[C@H](O)C3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C(C=CC=C1O)[C@@]2(C)O Oxytetracycline dihydrate 6153-64-6|Oxytetracycline dihydrate|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, [4S-(4a,4aa,5a,5aa,6b,12aa)]-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, hydrate (1:2), (4S,4aR,5S,5aR,6S,12aS)-|5-Hydroxytetracycline dihydrate|Hydroxytetrazyklindihydrat|Neo-oxy 50/50|Nitox|Oxytetracyclini dihydras|Oxytetracyclinium dihydricum|Vetocycline DS|1259316-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023412
ERPathway2016 ERPathway2016_1575 Oxytetracycline dihydrate 6153-64-6 DTXSID4023412 ER Pathway Model, Agonist Model Score 0 Unitless O.O.[H][C@]12[C@H](O)C3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C(C=CC=C1O)[C@@]2(C)O Oxytetracycline dihydrate 6153-64-6|Oxytetracycline dihydrate|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, [4S-(4a,4aa,5a,5aa,6b,12aa)]-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, hydrate (1:2), (4S,4aR,5S,5aR,6S,12aS)-|5-Hydroxytetracycline dihydrate|Hydroxytetrazyklindihydrat|Neo-oxy 50/50|Nitox|Oxytetracyclini dihydras|Oxytetracyclinium dihydricum|Vetocycline DS|1259316-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023412
ERPathway2016 ERPathway2016_1575 Oxytetracycline dihydrate 6153-64-6 DTXSID4023412 ER Pathway Model, Antagonist Model Score 0 Unitless O.O.[H][C@]12[C@H](O)C3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C(C=CC=C1O)[C@@]2(C)O Oxytetracycline dihydrate 6153-64-6|Oxytetracycline dihydrate|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, [4S-(4a,4aa,5a,5aa,6b,12aa)]-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, hydrate (1:2), (4S,4aR,5S,5aR,6S,12aS)-|5-Hydroxytetracycline dihydrate|Hydroxytetrazyklindihydrat|Neo-oxy 50/50|Nitox|Oxytetracyclini dihydras|Oxytetracyclinium dihydricum|Vetocycline DS|1259316-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023412
ERPathway2016 ERPathway2016_1575 Oxytetracycline dihydrate 6153-64-6 DTXSID4023412 ER Pathway Model, Agonist Call Inactive Unitless O.O.[H][C@]12[C@H](O)C3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C(C=CC=C1O)[C@@]2(C)O Oxytetracycline dihydrate 6153-64-6|Oxytetracycline dihydrate|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, [4S-(4a,4aa,5a,5aa,6b,12aa)]-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, hydrate (1:2), (4S,4aR,5S,5aR,6S,12aS)-|5-Hydroxytetracycline dihydrate|Hydroxytetrazyklindihydrat|Neo-oxy 50/50|Nitox|Oxytetracyclini dihydras|Oxytetracyclinium dihydricum|Vetocycline DS|1259316-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023412
ERPathway2016 ERPathway2016_1575 Oxytetracycline dihydrate 6153-64-6 DTXSID4023412 ER Pathway Model, Antagonist Call Inactive Unitless O.O.[H][C@]12[C@H](O)C3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C(C=CC=C1O)[C@@]2(C)O Oxytetracycline dihydrate 6153-64-6|Oxytetracycline dihydrate|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, [4S-(4a,4aa,5a,5aa,6b,12aa)]-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, hydrate (1:2), (4S,4aR,5S,5aR,6S,12aS)-|5-Hydroxytetracycline dihydrate|Hydroxytetrazyklindihydrat|Neo-oxy 50/50|Nitox|Oxytetracyclini dihydras|Oxytetracyclinium dihydricum|Vetocycline DS|1259316-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023412
ARPathway2016 ARPathway2016_980 Oxytetracycline hydrochloride 2058-46-0 DTXSID5021097 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(C=CC=C1O)[C@@]3(C)O Oxytetracycline hydrochloride 2058-46-0|Oxytetracycline hydrochloride|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.))-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,6S,12aS)-|5-Hydroxytetracycline hydrochloride|5-Hydroxytetracycline monohydrochloride|Alamycin|Aquacycline|Bi Steclin|Biosolvomycin|Bisolvomycin|Caswell No. 628|Chrysocin|component of Terramycin Topical Ointment|Dalimycin|Dalinmycin|EINECS 218-161-2|Elinton|Engemycin|EPA Pesticide Chemical Code 006308|Hydrocyclin|Hydroxytetrazyklinhydrochlorid|Ia-Loxin|Intaloxin|Liquachel|Liquamycin injectable|Macodyn|Mepatar|Neo-oxy 100/100 MR|OTC|Otetryn|Oxacycline|Oxamycen|Oxlopar|Oxy-Dumocyclin|Oxy-Rivo|Oxy-Tera|102323-64-8|1231953-59-5|61794-35-2|72034-96-9|885678-73-9|90438-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021097 https://doi.org/10.22427/NTP-DATA-DTXSID5021097
ARPathway2016 ARPathway2016_980 Oxytetracycline hydrochloride 2058-46-0 DTXSID5021097 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(C=CC=C1O)[C@@]3(C)O Oxytetracycline hydrochloride 2058-46-0|Oxytetracycline hydrochloride|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.))-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,6S,12aS)-|5-Hydroxytetracycline hydrochloride|5-Hydroxytetracycline monohydrochloride|Alamycin|Aquacycline|Bi Steclin|Biosolvomycin|Bisolvomycin|Caswell No. 628|Chrysocin|component of Terramycin Topical Ointment|Dalimycin|Dalinmycin|EINECS 218-161-2|Elinton|Engemycin|EPA Pesticide Chemical Code 006308|Hydrocyclin|Hydroxytetrazyklinhydrochlorid|Ia-Loxin|Intaloxin|Liquachel|Liquamycin injectable|Macodyn|Mepatar|Neo-oxy 100/100 MR|OTC|Otetryn|Oxacycline|Oxamycen|Oxlopar|Oxy-Dumocyclin|Oxy-Rivo|Oxy-Tera|102323-64-8|1231953-59-5|61794-35-2|72034-96-9|885678-73-9|90438-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021097 https://doi.org/10.22427/NTP-DATA-DTXSID5021097
ARPathway2016 ARPathway2016_980 Oxytetracycline hydrochloride 2058-46-0 DTXSID5021097 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(C=CC=C1O)[C@@]3(C)O Oxytetracycline hydrochloride 2058-46-0|Oxytetracycline hydrochloride|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.))-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,6S,12aS)-|5-Hydroxytetracycline hydrochloride|5-Hydroxytetracycline monohydrochloride|Alamycin|Aquacycline|Bi Steclin|Biosolvomycin|Bisolvomycin|Caswell No. 628|Chrysocin|component of Terramycin Topical Ointment|Dalimycin|Dalinmycin|EINECS 218-161-2|Elinton|Engemycin|EPA Pesticide Chemical Code 006308|Hydrocyclin|Hydroxytetrazyklinhydrochlorid|Ia-Loxin|Intaloxin|Liquachel|Liquamycin injectable|Macodyn|Mepatar|Neo-oxy 100/100 MR|OTC|Otetryn|Oxacycline|Oxamycen|Oxlopar|Oxy-Dumocyclin|Oxy-Rivo|Oxy-Tera|102323-64-8|1231953-59-5|61794-35-2|72034-96-9|885678-73-9|90438-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021097 https://doi.org/10.22427/NTP-DATA-DTXSID5021097
ARPathway2016 ARPathway2016_980 Oxytetracycline hydrochloride 2058-46-0 DTXSID5021097 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(C=CC=C1O)[C@@]3(C)O Oxytetracycline hydrochloride 2058-46-0|Oxytetracycline hydrochloride|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.))-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,6S,12aS)-|5-Hydroxytetracycline hydrochloride|5-Hydroxytetracycline monohydrochloride|Alamycin|Aquacycline|Bi Steclin|Biosolvomycin|Bisolvomycin|Caswell No. 628|Chrysocin|component of Terramycin Topical Ointment|Dalimycin|Dalinmycin|EINECS 218-161-2|Elinton|Engemycin|EPA Pesticide Chemical Code 006308|Hydrocyclin|Hydroxytetrazyklinhydrochlorid|Ia-Loxin|Intaloxin|Liquachel|Liquamycin injectable|Macodyn|Mepatar|Neo-oxy 100/100 MR|OTC|Otetryn|Oxacycline|Oxamycen|Oxlopar|Oxy-Dumocyclin|Oxy-Rivo|Oxy-Tera|102323-64-8|1231953-59-5|61794-35-2|72034-96-9|885678-73-9|90438-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021097 https://doi.org/10.22427/NTP-DATA-DTXSID5021097
ERPathway2016 ERPathway2016_665 Oxytetracycline hydrochloride 2058-46-0 DTXSID5021097 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(C=CC=C1O)[C@@]3(C)O Oxytetracycline hydrochloride 2058-46-0|Oxytetracycline hydrochloride|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.))-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,6S,12aS)-|5-Hydroxytetracycline hydrochloride|5-Hydroxytetracycline monohydrochloride|Alamycin|Aquacycline|Bi Steclin|Biosolvomycin|Bisolvomycin|Caswell No. 628|Chrysocin|component of Terramycin Topical Ointment|Dalimycin|Dalinmycin|EINECS 218-161-2|Elinton|Engemycin|EPA Pesticide Chemical Code 006308|Hydrocyclin|Hydroxytetrazyklinhydrochlorid|Ia-Loxin|Intaloxin|Liquachel|Liquamycin injectable|Macodyn|Mepatar|Neo-oxy 100/100 MR|OTC|Otetryn|Oxacycline|Oxamycen|Oxlopar|Oxy-Dumocyclin|Oxy-Rivo|Oxy-Tera|102323-64-8|1231953-59-5|61794-35-2|72034-96-9|885678-73-9|90438-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021097 https://doi.org/10.22427/NTP-DATA-DTXSID5021097
ERPathway2016 ERPathway2016_665 Oxytetracycline hydrochloride 2058-46-0 DTXSID5021097 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(C=CC=C1O)[C@@]3(C)O Oxytetracycline hydrochloride 2058-46-0|Oxytetracycline hydrochloride|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.))-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,6S,12aS)-|5-Hydroxytetracycline hydrochloride|5-Hydroxytetracycline monohydrochloride|Alamycin|Aquacycline|Bi Steclin|Biosolvomycin|Bisolvomycin|Caswell No. 628|Chrysocin|component of Terramycin Topical Ointment|Dalimycin|Dalinmycin|EINECS 218-161-2|Elinton|Engemycin|EPA Pesticide Chemical Code 006308|Hydrocyclin|Hydroxytetrazyklinhydrochlorid|Ia-Loxin|Intaloxin|Liquachel|Liquamycin injectable|Macodyn|Mepatar|Neo-oxy 100/100 MR|OTC|Otetryn|Oxacycline|Oxamycen|Oxlopar|Oxy-Dumocyclin|Oxy-Rivo|Oxy-Tera|102323-64-8|1231953-59-5|61794-35-2|72034-96-9|885678-73-9|90438-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021097 https://doi.org/10.22427/NTP-DATA-DTXSID5021097
ERPathway2016 ERPathway2016_665 Oxytetracycline hydrochloride 2058-46-0 DTXSID5021097 ER Pathway Model, Agonist Call Inactive Unitless Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(C=CC=C1O)[C@@]3(C)O Oxytetracycline hydrochloride 2058-46-0|Oxytetracycline hydrochloride|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.))-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,6S,12aS)-|5-Hydroxytetracycline hydrochloride|5-Hydroxytetracycline monohydrochloride|Alamycin|Aquacycline|Bi Steclin|Biosolvomycin|Bisolvomycin|Caswell No. 628|Chrysocin|component of Terramycin Topical Ointment|Dalimycin|Dalinmycin|EINECS 218-161-2|Elinton|Engemycin|EPA Pesticide Chemical Code 006308|Hydrocyclin|Hydroxytetrazyklinhydrochlorid|Ia-Loxin|Intaloxin|Liquachel|Liquamycin injectable|Macodyn|Mepatar|Neo-oxy 100/100 MR|OTC|Otetryn|Oxacycline|Oxamycen|Oxlopar|Oxy-Dumocyclin|Oxy-Rivo|Oxy-Tera|102323-64-8|1231953-59-5|61794-35-2|72034-96-9|885678-73-9|90438-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021097 https://doi.org/10.22427/NTP-DATA-DTXSID5021097
ERPathway2016 ERPathway2016_665 Oxytetracycline hydrochloride 2058-46-0 DTXSID5021097 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(C=CC=C1O)[C@@]3(C)O Oxytetracycline hydrochloride 2058-46-0|Oxytetracycline hydrochloride|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.))-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4S,4aR,5S,5aR,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,6S,12aS)-|5-Hydroxytetracycline hydrochloride|5-Hydroxytetracycline monohydrochloride|Alamycin|Aquacycline|Bi Steclin|Biosolvomycin|Bisolvomycin|Caswell No. 628|Chrysocin|component of Terramycin Topical Ointment|Dalimycin|Dalinmycin|EINECS 218-161-2|Elinton|Engemycin|EPA Pesticide Chemical Code 006308|Hydrocyclin|Hydroxytetrazyklinhydrochlorid|Ia-Loxin|Intaloxin|Liquachel|Liquamycin injectable|Macodyn|Mepatar|Neo-oxy 100/100 MR|OTC|Otetryn|Oxacycline|Oxamycen|Oxlopar|Oxy-Dumocyclin|Oxy-Rivo|Oxy-Tera|102323-64-8|1231953-59-5|61794-35-2|72034-96-9|885678-73-9|90438-85-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021097 https://doi.org/10.22427/NTP-DATA-DTXSID5021097
ARPathway2016 ARPathway2016_264 p,p'-DDD 72-54-8 DTXSID4020373 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 44.5769918916574 uM ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDD 72-54-8|p,p'-DDD|1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethyl]-4-chloranyl-benzene|1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis(4-chlorophenyl)-2,2-dichloroethane|1,1-Bis(p-chlorophenyl)-2,2-dichloroethane|1,1-Dichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1-Dichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1-Dichloro-2,2-bis(4-chlorophenyl)-ethane|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(parachlorophenyl)ethane|1,1-Dichloro-2,2-di(4-chlorophenyl)ethane|1,1-Dicloro-2,2-bis(4-cloro-fenil)-etano|1,1'-(2,2-Dichloroethylidene)bis[4-chlorobenzene]|2,2-Bis(4-chlorophenyl)-1,1-dichloroethane|2,2-Bis(p-chlorophenyl)-1,1-dichloroethane|2,2-bis(para-Chlorophenyl)-1,1-dichloroethane|4,4'-DDD|4,4'-Dichlorodiphenyldichloroethane|Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro-|BRN 1914072|Caswell No. 307|DDD|Dichlorodiphenyl dichloroethane|Dichlorodiphenyldichloroethane|Dilene|EINECS 200-783-0|EPA Pesticide Chemical Code https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020373
ARPathway2016 ARPathway2016_264 p,p'-DDD 72-54-8 DTXSID4020373 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 39.2255455812066 uM ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDD 72-54-8|p,p'-DDD|1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethyl]-4-chloranyl-benzene|1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis(4-chlorophenyl)-2,2-dichloroethane|1,1-Bis(p-chlorophenyl)-2,2-dichloroethane|1,1-Dichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1-Dichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1-Dichloro-2,2-bis(4-chlorophenyl)-ethane|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(parachlorophenyl)ethane|1,1-Dichloro-2,2-di(4-chlorophenyl)ethane|1,1-Dicloro-2,2-bis(4-cloro-fenil)-etano|1,1'-(2,2-Dichloroethylidene)bis[4-chlorobenzene]|2,2-Bis(4-chlorophenyl)-1,1-dichloroethane|2,2-Bis(p-chlorophenyl)-1,1-dichloroethane|2,2-bis(para-Chlorophenyl)-1,1-dichloroethane|4,4'-DDD|4,4'-Dichlorodiphenyldichloroethane|Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro-|BRN 1914072|Caswell No. 307|DDD|Dichlorodiphenyl dichloroethane|Dichlorodiphenyldichloroethane|Dilene|EINECS 200-783-0|EPA Pesticide Chemical Code https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020373
ARPathway2016 ARPathway2016_264 p,p'-DDD 72-54-8 DTXSID4020373 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0973 Unitless ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDD 72-54-8|p,p'-DDD|1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethyl]-4-chloranyl-benzene|1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis(4-chlorophenyl)-2,2-dichloroethane|1,1-Bis(p-chlorophenyl)-2,2-dichloroethane|1,1-Dichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1-Dichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1-Dichloro-2,2-bis(4-chlorophenyl)-ethane|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(parachlorophenyl)ethane|1,1-Dichloro-2,2-di(4-chlorophenyl)ethane|1,1-Dicloro-2,2-bis(4-cloro-fenil)-etano|1,1'-(2,2-Dichloroethylidene)bis[4-chlorobenzene]|2,2-Bis(4-chlorophenyl)-1,1-dichloroethane|2,2-Bis(p-chlorophenyl)-1,1-dichloroethane|2,2-bis(para-Chlorophenyl)-1,1-dichloroethane|4,4'-DDD|4,4'-Dichlorodiphenyldichloroethane|Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro-|BRN 1914072|Caswell No. 307|DDD|Dichlorodiphenyl dichloroethane|Dichlorodiphenyldichloroethane|Dilene|EINECS 200-783-0|EPA Pesticide Chemical Code https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020373
ARPathway2016 ARPathway2016_264 p,p'-DDD 72-54-8 DTXSID4020373 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDD 72-54-8|p,p'-DDD|1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethyl]-4-chloranyl-benzene|1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis(4-chlorophenyl)-2,2-dichloroethane|1,1-Bis(p-chlorophenyl)-2,2-dichloroethane|1,1-Dichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1-Dichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1-Dichloro-2,2-bis(4-chlorophenyl)-ethane|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(parachlorophenyl)ethane|1,1-Dichloro-2,2-di(4-chlorophenyl)ethane|1,1-Dicloro-2,2-bis(4-cloro-fenil)-etano|1,1'-(2,2-Dichloroethylidene)bis[4-chlorobenzene]|2,2-Bis(4-chlorophenyl)-1,1-dichloroethane|2,2-Bis(p-chlorophenyl)-1,1-dichloroethane|2,2-bis(para-Chlorophenyl)-1,1-dichloroethane|4,4'-DDD|4,4'-Dichlorodiphenyldichloroethane|Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro-|BRN 1914072|Caswell No. 307|DDD|Dichlorodiphenyl dichloroethane|Dichlorodiphenyldichloroethane|Dilene|EINECS 200-783-0|EPA Pesticide Chemical Code https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020373
ARPathway2016 ARPathway2016_264 p,p'-DDD 72-54-8 DTXSID4020373 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDD 72-54-8|p,p'-DDD|1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethyl]-4-chloranyl-benzene|1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis(4-chlorophenyl)-2,2-dichloroethane|1,1-Bis(p-chlorophenyl)-2,2-dichloroethane|1,1-Dichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1-Dichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1-Dichloro-2,2-bis(4-chlorophenyl)-ethane|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(parachlorophenyl)ethane|1,1-Dichloro-2,2-di(4-chlorophenyl)ethane|1,1-Dicloro-2,2-bis(4-cloro-fenil)-etano|1,1'-(2,2-Dichloroethylidene)bis[4-chlorobenzene]|2,2-Bis(4-chlorophenyl)-1,1-dichloroethane|2,2-Bis(p-chlorophenyl)-1,1-dichloroethane|2,2-bis(para-Chlorophenyl)-1,1-dichloroethane|4,4'-DDD|4,4'-Dichlorodiphenyldichloroethane|Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro-|BRN 1914072|Caswell No. 307|DDD|Dichlorodiphenyl dichloroethane|Dichlorodiphenyldichloroethane|Dilene|EINECS 200-783-0|EPA Pesticide Chemical Code https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020373
ARPathway2016 ARPathway2016_264 p,p'-DDD 72-54-8 DTXSID4020373 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDD 72-54-8|p,p'-DDD|1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethyl]-4-chloranyl-benzene|1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis(4-chlorophenyl)-2,2-dichloroethane|1,1-Bis(p-chlorophenyl)-2,2-dichloroethane|1,1-Dichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1-Dichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1-Dichloro-2,2-bis(4-chlorophenyl)-ethane|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(parachlorophenyl)ethane|1,1-Dichloro-2,2-di(4-chlorophenyl)ethane|1,1-Dicloro-2,2-bis(4-cloro-fenil)-etano|1,1'-(2,2-Dichloroethylidene)bis[4-chlorobenzene]|2,2-Bis(4-chlorophenyl)-1,1-dichloroethane|2,2-Bis(p-chlorophenyl)-1,1-dichloroethane|2,2-bis(para-Chlorophenyl)-1,1-dichloroethane|4,4'-DDD|4,4'-Dichlorodiphenyldichloroethane|Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro-|BRN 1914072|Caswell No. 307|DDD|Dichlorodiphenyl dichloroethane|Dichlorodiphenyldichloroethane|Dilene|EINECS 200-783-0|EPA Pesticide Chemical Code https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020373
ERPathway2016 ERPathway2016_256 p,p'-DDD 72-54-8 DTXSID4020373 ER Pathway Model, Antagonist AC50 17.8120721374307 uM ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDD 72-54-8|p,p'-DDD|1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethyl]-4-chloranyl-benzene|1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis(4-chlorophenyl)-2,2-dichloroethane|1,1-Bis(p-chlorophenyl)-2,2-dichloroethane|1,1-Dichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1-Dichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1-Dichloro-2,2-bis(4-chlorophenyl)-ethane|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(parachlorophenyl)ethane|1,1-Dichloro-2,2-di(4-chlorophenyl)ethane|1,1-Dicloro-2,2-bis(4-cloro-fenil)-etano|1,1'-(2,2-Dichloroethylidene)bis[4-chlorobenzene]|2,2-Bis(4-chlorophenyl)-1,1-dichloroethane|2,2-Bis(p-chlorophenyl)-1,1-dichloroethane|2,2-bis(para-Chlorophenyl)-1,1-dichloroethane|4,4'-DDD|4,4'-Dichlorodiphenyldichloroethane|Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro-|BRN 1914072|Caswell No. 307|DDD|Dichlorodiphenyl dichloroethane|Dichlorodiphenyldichloroethane|Dilene|EINECS 200-783-0|EPA Pesticide Chemical Code https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020373
ERPathway2016 ERPathway2016_256 p,p'-DDD 72-54-8 DTXSID4020373 ER Pathway Model, Antagonist ACC 19.4670823410786 uM ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDD 72-54-8|p,p'-DDD|1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethyl]-4-chloranyl-benzene|1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis(4-chlorophenyl)-2,2-dichloroethane|1,1-Bis(p-chlorophenyl)-2,2-dichloroethane|1,1-Dichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1-Dichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1-Dichloro-2,2-bis(4-chlorophenyl)-ethane|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(parachlorophenyl)ethane|1,1-Dichloro-2,2-di(4-chlorophenyl)ethane|1,1-Dicloro-2,2-bis(4-cloro-fenil)-etano|1,1'-(2,2-Dichloroethylidene)bis[4-chlorobenzene]|2,2-Bis(4-chlorophenyl)-1,1-dichloroethane|2,2-Bis(p-chlorophenyl)-1,1-dichloroethane|2,2-bis(para-Chlorophenyl)-1,1-dichloroethane|4,4'-DDD|4,4'-Dichlorodiphenyldichloroethane|Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro-|BRN 1914072|Caswell No. 307|DDD|Dichlorodiphenyl dichloroethane|Dichlorodiphenyldichloroethane|Dilene|EINECS 200-783-0|EPA Pesticide Chemical Code https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020373
ERPathway2016 ERPathway2016_256 p,p'-DDD 72-54-8 DTXSID4020373 ER Pathway Model, Agonist Model Score 0.0728 Unitless ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDD 72-54-8|p,p'-DDD|1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethyl]-4-chloranyl-benzene|1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis(4-chlorophenyl)-2,2-dichloroethane|1,1-Bis(p-chlorophenyl)-2,2-dichloroethane|1,1-Dichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1-Dichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1-Dichloro-2,2-bis(4-chlorophenyl)-ethane|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(parachlorophenyl)ethane|1,1-Dichloro-2,2-di(4-chlorophenyl)ethane|1,1-Dicloro-2,2-bis(4-cloro-fenil)-etano|1,1'-(2,2-Dichloroethylidene)bis[4-chlorobenzene]|2,2-Bis(4-chlorophenyl)-1,1-dichloroethane|2,2-Bis(p-chlorophenyl)-1,1-dichloroethane|2,2-bis(para-Chlorophenyl)-1,1-dichloroethane|4,4'-DDD|4,4'-Dichlorodiphenyldichloroethane|Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro-|BRN 1914072|Caswell No. 307|DDD|Dichlorodiphenyl dichloroethane|Dichlorodiphenyldichloroethane|Dilene|EINECS 200-783-0|EPA Pesticide Chemical Code https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020373
ERPathway2016 ERPathway2016_256 p,p'-DDD 72-54-8 DTXSID4020373 ER Pathway Model, Antagonist Model Score 0 Unitless ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDD 72-54-8|p,p'-DDD|1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethyl]-4-chloranyl-benzene|1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis(4-chlorophenyl)-2,2-dichloroethane|1,1-Bis(p-chlorophenyl)-2,2-dichloroethane|1,1-Dichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1-Dichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1-Dichloro-2,2-bis(4-chlorophenyl)-ethane|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(parachlorophenyl)ethane|1,1-Dichloro-2,2-di(4-chlorophenyl)ethane|1,1-Dicloro-2,2-bis(4-cloro-fenil)-etano|1,1'-(2,2-Dichloroethylidene)bis[4-chlorobenzene]|2,2-Bis(4-chlorophenyl)-1,1-dichloroethane|2,2-Bis(p-chlorophenyl)-1,1-dichloroethane|2,2-bis(para-Chlorophenyl)-1,1-dichloroethane|4,4'-DDD|4,4'-Dichlorodiphenyldichloroethane|Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro-|BRN 1914072|Caswell No. 307|DDD|Dichlorodiphenyl dichloroethane|Dichlorodiphenyldichloroethane|Dilene|EINECS 200-783-0|EPA Pesticide Chemical Code https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020373
ERPathway2016 ERPathway2016_256 p,p'-DDD 72-54-8 DTXSID4020373 ER Pathway Model, Agonist Call Inactive Unitless ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDD 72-54-8|p,p'-DDD|1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethyl]-4-chloranyl-benzene|1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis(4-chlorophenyl)-2,2-dichloroethane|1,1-Bis(p-chlorophenyl)-2,2-dichloroethane|1,1-Dichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1-Dichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1-Dichloro-2,2-bis(4-chlorophenyl)-ethane|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(parachlorophenyl)ethane|1,1-Dichloro-2,2-di(4-chlorophenyl)ethane|1,1-Dicloro-2,2-bis(4-cloro-fenil)-etano|1,1'-(2,2-Dichloroethylidene)bis[4-chlorobenzene]|2,2-Bis(4-chlorophenyl)-1,1-dichloroethane|2,2-Bis(p-chlorophenyl)-1,1-dichloroethane|2,2-bis(para-Chlorophenyl)-1,1-dichloroethane|4,4'-DDD|4,4'-Dichlorodiphenyldichloroethane|Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro-|BRN 1914072|Caswell No. 307|DDD|Dichlorodiphenyl dichloroethane|Dichlorodiphenyldichloroethane|Dilene|EINECS 200-783-0|EPA Pesticide Chemical Code https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020373
ERPathway2016 ERPathway2016_256 p,p'-DDD 72-54-8 DTXSID4020373 ER Pathway Model, Antagonist Call Active Unitless ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDD 72-54-8|p,p'-DDD|1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethyl]-4-chloranyl-benzene|1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene|1,1-Bis(4-chlorophenyl)-2,2-dichloroethane|1,1-Bis(p-chlorophenyl)-2,2-dichloroethane|1,1-Dichloor-2,2-bis(4-chloor fenyl)-ethaan|1,1-Dichlor-2,2-bis(4-chlor-phenyl)-aethan|1,1-Dichloro-2,2-bis(4-chlorophenyl)-ethane|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane|1,1-Dichloro-2,2-bis(parachlorophenyl)ethane|1,1-Dichloro-2,2-di(4-chlorophenyl)ethane|1,1-Dicloro-2,2-bis(4-cloro-fenil)-etano|1,1'-(2,2-Dichloroethylidene)bis[4-chlorobenzene]|2,2-Bis(4-chlorophenyl)-1,1-dichloroethane|2,2-Bis(p-chlorophenyl)-1,1-dichloroethane|2,2-bis(para-Chlorophenyl)-1,1-dichloroethane|4,4'-DDD|4,4'-Dichlorodiphenyldichloroethane|Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro-|BRN 1914072|Caswell No. 307|DDD|Dichlorodiphenyl dichloroethane|Dichlorodiphenyldichloroethane|Dilene|EINECS 200-783-0|EPA Pesticide Chemical Code https://comptox.epa.gov/dashboard/chemical/details/DTXSID4020373
ARPathway2016 ARPathway2016_265 p,p'-DDE 72-55-9 DTXSID9020374 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 28.6044164737797 uM ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDE 72-55-9|p,p'-DDE|1,1-BIS-(4-CHLORPHENYL)-2,2-DICHLOR-AETHEN|1,1-Bis(4-chlorophenyl)-2,2-dichloroethene|1,1-Bis(p-chlorophenyl)-2,2-dichloroethylene|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethene|1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(para-chlorophenyl) ethylene|1,1-Dichloro-2,2-di(p-chlorophenyl)ethylene|1,1'-(Dichloroethenylidene)bis(4-chlorobenzene)|2,2-Bis(4-chlorophenyl)-1,1-dichloroethene|2,2-bis(4-Chlorophenyl)-1,1-dichloroethylene|2,2-bis(p-chlorophenyl)-1,1-dichloroethylene|2,2-Bis(p-chlorphenyl)-1,1-dichlorethylen|2,2-bis(p-clorofenil)-1,1-dicloroetileno|2,2-Dichloro-1,1-bis(4-chlorophenyl)ethylene|4,4'-DDE|4,4'-Dichlorodiphenyldichloroethylene|Benzene, 1,1'-(2,2-dichloroethenylidene)bis[4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis(4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis[4-chloro-|BRN 1913355|DDE|DDE (VAN)|DDT dehydrochloride|Dichloro diphenyl dichloroethane|Dichlorodiphenyl dichloroethene|DIC https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020374
ARPathway2016 ARPathway2016_265 p,p'-DDE 72-55-9 DTXSID9020374 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 15.0200851745097 uM ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDE 72-55-9|p,p'-DDE|1,1-BIS-(4-CHLORPHENYL)-2,2-DICHLOR-AETHEN|1,1-Bis(4-chlorophenyl)-2,2-dichloroethene|1,1-Bis(p-chlorophenyl)-2,2-dichloroethylene|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethene|1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(para-chlorophenyl) ethylene|1,1-Dichloro-2,2-di(p-chlorophenyl)ethylene|1,1'-(Dichloroethenylidene)bis(4-chlorobenzene)|2,2-Bis(4-chlorophenyl)-1,1-dichloroethene|2,2-bis(4-Chlorophenyl)-1,1-dichloroethylene|2,2-bis(p-chlorophenyl)-1,1-dichloroethylene|2,2-Bis(p-chlorphenyl)-1,1-dichlorethylen|2,2-bis(p-clorofenil)-1,1-dicloroetileno|2,2-Dichloro-1,1-bis(4-chlorophenyl)ethylene|4,4'-DDE|4,4'-Dichlorodiphenyldichloroethylene|Benzene, 1,1'-(2,2-dichloroethenylidene)bis[4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis(4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis[4-chloro-|BRN 1913355|DDE|DDE (VAN)|DDT dehydrochloride|Dichloro diphenyl dichloroethane|Dichlorodiphenyl dichloroethene|DIC https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020374
ARPathway2016 ARPathway2016_265 p,p'-DDE 72-55-9 DTXSID9020374 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.251 Unitless ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDE 72-55-9|p,p'-DDE|1,1-BIS-(4-CHLORPHENYL)-2,2-DICHLOR-AETHEN|1,1-Bis(4-chlorophenyl)-2,2-dichloroethene|1,1-Bis(p-chlorophenyl)-2,2-dichloroethylene|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethene|1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(para-chlorophenyl) ethylene|1,1-Dichloro-2,2-di(p-chlorophenyl)ethylene|1,1'-(Dichloroethenylidene)bis(4-chlorobenzene)|2,2-Bis(4-chlorophenyl)-1,1-dichloroethene|2,2-bis(4-Chlorophenyl)-1,1-dichloroethylene|2,2-bis(p-chlorophenyl)-1,1-dichloroethylene|2,2-Bis(p-chlorphenyl)-1,1-dichlorethylen|2,2-bis(p-clorofenil)-1,1-dicloroetileno|2,2-Dichloro-1,1-bis(4-chlorophenyl)ethylene|4,4'-DDE|4,4'-Dichlorodiphenyldichloroethylene|Benzene, 1,1'-(2,2-dichloroethenylidene)bis[4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis(4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis[4-chloro-|BRN 1913355|DDE|DDE (VAN)|DDT dehydrochloride|Dichloro diphenyl dichloroethane|Dichlorodiphenyl dichloroethene|DIC https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020374
ARPathway2016 ARPathway2016_265 p,p'-DDE 72-55-9 DTXSID9020374 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDE 72-55-9|p,p'-DDE|1,1-BIS-(4-CHLORPHENYL)-2,2-DICHLOR-AETHEN|1,1-Bis(4-chlorophenyl)-2,2-dichloroethene|1,1-Bis(p-chlorophenyl)-2,2-dichloroethylene|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethene|1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(para-chlorophenyl) ethylene|1,1-Dichloro-2,2-di(p-chlorophenyl)ethylene|1,1'-(Dichloroethenylidene)bis(4-chlorobenzene)|2,2-Bis(4-chlorophenyl)-1,1-dichloroethene|2,2-bis(4-Chlorophenyl)-1,1-dichloroethylene|2,2-bis(p-chlorophenyl)-1,1-dichloroethylene|2,2-Bis(p-chlorphenyl)-1,1-dichlorethylen|2,2-bis(p-clorofenil)-1,1-dicloroetileno|2,2-Dichloro-1,1-bis(4-chlorophenyl)ethylene|4,4'-DDE|4,4'-Dichlorodiphenyldichloroethylene|Benzene, 1,1'-(2,2-dichloroethenylidene)bis[4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis(4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis[4-chloro-|BRN 1913355|DDE|DDE (VAN)|DDT dehydrochloride|Dichloro diphenyl dichloroethane|Dichlorodiphenyl dichloroethene|DIC https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020374
ARPathway2016 ARPathway2016_265 p,p'-DDE 72-55-9 DTXSID9020374 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDE 72-55-9|p,p'-DDE|1,1-BIS-(4-CHLORPHENYL)-2,2-DICHLOR-AETHEN|1,1-Bis(4-chlorophenyl)-2,2-dichloroethene|1,1-Bis(p-chlorophenyl)-2,2-dichloroethylene|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethene|1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(para-chlorophenyl) ethylene|1,1-Dichloro-2,2-di(p-chlorophenyl)ethylene|1,1'-(Dichloroethenylidene)bis(4-chlorobenzene)|2,2-Bis(4-chlorophenyl)-1,1-dichloroethene|2,2-bis(4-Chlorophenyl)-1,1-dichloroethylene|2,2-bis(p-chlorophenyl)-1,1-dichloroethylene|2,2-Bis(p-chlorphenyl)-1,1-dichlorethylen|2,2-bis(p-clorofenil)-1,1-dicloroetileno|2,2-Dichloro-1,1-bis(4-chlorophenyl)ethylene|4,4'-DDE|4,4'-Dichlorodiphenyldichloroethylene|Benzene, 1,1'-(2,2-dichloroethenylidene)bis[4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis(4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis[4-chloro-|BRN 1913355|DDE|DDE (VAN)|DDT dehydrochloride|Dichloro diphenyl dichloroethane|Dichlorodiphenyl dichloroethene|DIC https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020374
ARPathway2016 ARPathway2016_265 p,p'-DDE 72-55-9 DTXSID9020374 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDE 72-55-9|p,p'-DDE|1,1-BIS-(4-CHLORPHENYL)-2,2-DICHLOR-AETHEN|1,1-Bis(4-chlorophenyl)-2,2-dichloroethene|1,1-Bis(p-chlorophenyl)-2,2-dichloroethylene|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethene|1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(para-chlorophenyl) ethylene|1,1-Dichloro-2,2-di(p-chlorophenyl)ethylene|1,1'-(Dichloroethenylidene)bis(4-chlorobenzene)|2,2-Bis(4-chlorophenyl)-1,1-dichloroethene|2,2-bis(4-Chlorophenyl)-1,1-dichloroethylene|2,2-bis(p-chlorophenyl)-1,1-dichloroethylene|2,2-Bis(p-chlorphenyl)-1,1-dichlorethylen|2,2-bis(p-clorofenil)-1,1-dicloroetileno|2,2-Dichloro-1,1-bis(4-chlorophenyl)ethylene|4,4'-DDE|4,4'-Dichlorodiphenyldichloroethylene|Benzene, 1,1'-(2,2-dichloroethenylidene)bis[4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis(4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis[4-chloro-|BRN 1913355|DDE|DDE (VAN)|DDT dehydrochloride|Dichloro diphenyl dichloroethane|Dichlorodiphenyl dichloroethene|DIC https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020374
ERPathway2016 ERPathway2016_258 p,p'-DDE 72-55-9 DTXSID9020374 ER Pathway Model, Antagonist AC50 16.5328261970003 uM ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDE 72-55-9|p,p'-DDE|1,1-BIS-(4-CHLORPHENYL)-2,2-DICHLOR-AETHEN|1,1-Bis(4-chlorophenyl)-2,2-dichloroethene|1,1-Bis(p-chlorophenyl)-2,2-dichloroethylene|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethene|1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(para-chlorophenyl) ethylene|1,1-Dichloro-2,2-di(p-chlorophenyl)ethylene|1,1'-(Dichloroethenylidene)bis(4-chlorobenzene)|2,2-Bis(4-chlorophenyl)-1,1-dichloroethene|2,2-bis(4-Chlorophenyl)-1,1-dichloroethylene|2,2-bis(p-chlorophenyl)-1,1-dichloroethylene|2,2-Bis(p-chlorphenyl)-1,1-dichlorethylen|2,2-bis(p-clorofenil)-1,1-dicloroetileno|2,2-Dichloro-1,1-bis(4-chlorophenyl)ethylene|4,4'-DDE|4,4'-Dichlorodiphenyldichloroethylene|Benzene, 1,1'-(2,2-dichloroethenylidene)bis[4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis(4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis[4-chloro-|BRN 1913355|DDE|DDE (VAN)|DDT dehydrochloride|Dichloro diphenyl dichloroethane|Dichlorodiphenyl dichloroethene|DIC https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020374
ERPathway2016 ERPathway2016_258 p,p'-DDE 72-55-9 DTXSID9020374 ER Pathway Model, Antagonist ACC 10.0377834214312 uM ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDE 72-55-9|p,p'-DDE|1,1-BIS-(4-CHLORPHENYL)-2,2-DICHLOR-AETHEN|1,1-Bis(4-chlorophenyl)-2,2-dichloroethene|1,1-Bis(p-chlorophenyl)-2,2-dichloroethylene|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethene|1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(para-chlorophenyl) ethylene|1,1-Dichloro-2,2-di(p-chlorophenyl)ethylene|1,1'-(Dichloroethenylidene)bis(4-chlorobenzene)|2,2-Bis(4-chlorophenyl)-1,1-dichloroethene|2,2-bis(4-Chlorophenyl)-1,1-dichloroethylene|2,2-bis(p-chlorophenyl)-1,1-dichloroethylene|2,2-Bis(p-chlorphenyl)-1,1-dichlorethylen|2,2-bis(p-clorofenil)-1,1-dicloroetileno|2,2-Dichloro-1,1-bis(4-chlorophenyl)ethylene|4,4'-DDE|4,4'-Dichlorodiphenyldichloroethylene|Benzene, 1,1'-(2,2-dichloroethenylidene)bis[4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis(4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis[4-chloro-|BRN 1913355|DDE|DDE (VAN)|DDT dehydrochloride|Dichloro diphenyl dichloroethane|Dichlorodiphenyl dichloroethene|DIC https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020374
ERPathway2016 ERPathway2016_258 p,p'-DDE 72-55-9 DTXSID9020374 ER Pathway Model, Agonist Model Score 0.0677 Unitless ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDE 72-55-9|p,p'-DDE|1,1-BIS-(4-CHLORPHENYL)-2,2-DICHLOR-AETHEN|1,1-Bis(4-chlorophenyl)-2,2-dichloroethene|1,1-Bis(p-chlorophenyl)-2,2-dichloroethylene|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethene|1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(para-chlorophenyl) ethylene|1,1-Dichloro-2,2-di(p-chlorophenyl)ethylene|1,1'-(Dichloroethenylidene)bis(4-chlorobenzene)|2,2-Bis(4-chlorophenyl)-1,1-dichloroethene|2,2-bis(4-Chlorophenyl)-1,1-dichloroethylene|2,2-bis(p-chlorophenyl)-1,1-dichloroethylene|2,2-Bis(p-chlorphenyl)-1,1-dichlorethylen|2,2-bis(p-clorofenil)-1,1-dicloroetileno|2,2-Dichloro-1,1-bis(4-chlorophenyl)ethylene|4,4'-DDE|4,4'-Dichlorodiphenyldichloroethylene|Benzene, 1,1'-(2,2-dichloroethenylidene)bis[4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis(4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis[4-chloro-|BRN 1913355|DDE|DDE (VAN)|DDT dehydrochloride|Dichloro diphenyl dichloroethane|Dichlorodiphenyl dichloroethene|DIC https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020374
ERPathway2016 ERPathway2016_258 p,p'-DDE 72-55-9 DTXSID9020374 ER Pathway Model, Antagonist Model Score 0 Unitless ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDE 72-55-9|p,p'-DDE|1,1-BIS-(4-CHLORPHENYL)-2,2-DICHLOR-AETHEN|1,1-Bis(4-chlorophenyl)-2,2-dichloroethene|1,1-Bis(p-chlorophenyl)-2,2-dichloroethylene|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethene|1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(para-chlorophenyl) ethylene|1,1-Dichloro-2,2-di(p-chlorophenyl)ethylene|1,1'-(Dichloroethenylidene)bis(4-chlorobenzene)|2,2-Bis(4-chlorophenyl)-1,1-dichloroethene|2,2-bis(4-Chlorophenyl)-1,1-dichloroethylene|2,2-bis(p-chlorophenyl)-1,1-dichloroethylene|2,2-Bis(p-chlorphenyl)-1,1-dichlorethylen|2,2-bis(p-clorofenil)-1,1-dicloroetileno|2,2-Dichloro-1,1-bis(4-chlorophenyl)ethylene|4,4'-DDE|4,4'-Dichlorodiphenyldichloroethylene|Benzene, 1,1'-(2,2-dichloroethenylidene)bis[4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis(4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis[4-chloro-|BRN 1913355|DDE|DDE (VAN)|DDT dehydrochloride|Dichloro diphenyl dichloroethane|Dichlorodiphenyl dichloroethene|DIC https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020374
ERPathway2016 ERPathway2016_258 p,p'-DDE 72-55-9 DTXSID9020374 ER Pathway Model, Agonist Call Inactive Unitless ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDE 72-55-9|p,p'-DDE|1,1-BIS-(4-CHLORPHENYL)-2,2-DICHLOR-AETHEN|1,1-Bis(4-chlorophenyl)-2,2-dichloroethene|1,1-Bis(p-chlorophenyl)-2,2-dichloroethylene|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethene|1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(para-chlorophenyl) ethylene|1,1-Dichloro-2,2-di(p-chlorophenyl)ethylene|1,1'-(Dichloroethenylidene)bis(4-chlorobenzene)|2,2-Bis(4-chlorophenyl)-1,1-dichloroethene|2,2-bis(4-Chlorophenyl)-1,1-dichloroethylene|2,2-bis(p-chlorophenyl)-1,1-dichloroethylene|2,2-Bis(p-chlorphenyl)-1,1-dichlorethylen|2,2-bis(p-clorofenil)-1,1-dicloroetileno|2,2-Dichloro-1,1-bis(4-chlorophenyl)ethylene|4,4'-DDE|4,4'-Dichlorodiphenyldichloroethylene|Benzene, 1,1'-(2,2-dichloroethenylidene)bis[4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis(4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis[4-chloro-|BRN 1913355|DDE|DDE (VAN)|DDT dehydrochloride|Dichloro diphenyl dichloroethane|Dichlorodiphenyl dichloroethene|DIC https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020374
ERPathway2016 ERPathway2016_258 p,p'-DDE 72-55-9 DTXSID9020374 ER Pathway Model, Antagonist Call Active Unitless ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 p,p'-DDE 72-55-9|p,p'-DDE|1,1-BIS-(4-CHLORPHENYL)-2,2-DICHLOR-AETHEN|1,1-Bis(4-chlorophenyl)-2,2-dichloroethene|1,1-Bis(p-chlorophenyl)-2,2-dichloroethylene|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethene|1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethene|1,1-Dichloro-2,2-bis(p-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(para-chlorophenyl) ethylene|1,1-Dichloro-2,2-di(p-chlorophenyl)ethylene|1,1'-(Dichloroethenylidene)bis(4-chlorobenzene)|2,2-Bis(4-chlorophenyl)-1,1-dichloroethene|2,2-bis(4-Chlorophenyl)-1,1-dichloroethylene|2,2-bis(p-chlorophenyl)-1,1-dichloroethylene|2,2-Bis(p-chlorphenyl)-1,1-dichlorethylen|2,2-bis(p-clorofenil)-1,1-dicloroetileno|2,2-Dichloro-1,1-bis(4-chlorophenyl)ethylene|4,4'-DDE|4,4'-Dichlorodiphenyldichloroethylene|Benzene, 1,1'-(2,2-dichloroethenylidene)bis[4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis(4-chloro-|Benzene, 1,1'-(dichloroethenylidene)bis[4-chloro-|BRN 1913355|DDE|DDE (VAN)|DDT dehydrochloride|Dichloro diphenyl dichloroethane|Dichlorodiphenyl dichloroethene|DIC https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020374
ARPathway2016 ARPathway2016_1543 Paclobutrazol 76738-62-0 DTXSID2024242 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)[C@H](O)[C@H](CC1=CC=C(Cl)C=C1)N1C=NC=N1 Paclobutrazol 76738-62-0|Paclobutrazol|(2-RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|(R*,R*)-(+/-)-beta-((4-Chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (R*,R*)-(+/-)-|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (aR,bR)-rel-|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (aS,bS)-|616-379-6|927-876-5|AuStar|beta-((4-Chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|Bonzi|Bounty Flowable|Caswell No. 628C|Clipper|Clipper (triazole)|Clipper 50WP|Cultar|Duo Xiao Zuo|EC No.: 616-379-6|EC No.: 927-876-5|EINECS 266-325-7|Friazole|ICI-PP 333|Multi-effect triazole|Parlay|PC 125601|PC Code 125601|PP 333|PP 333 (plant growth regulator)|rel-(2R,3R)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|rel-(2RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|rel-(2RS,3RS)-1-(4-|106357-76-0|1135441-35-8|113932-85-7|115509-55-2|1180558-13-7|128224-38-4|77108-06-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024242
ARPathway2016 ARPathway2016_1543 Paclobutrazol 76738-62-0 DTXSID2024242 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)[C@H](O)[C@H](CC1=CC=C(Cl)C=C1)N1C=NC=N1 Paclobutrazol 76738-62-0|Paclobutrazol|(2-RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|(R*,R*)-(+/-)-beta-((4-Chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (R*,R*)-(+/-)-|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (aR,bR)-rel-|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (aS,bS)-|616-379-6|927-876-5|AuStar|beta-((4-Chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|Bonzi|Bounty Flowable|Caswell No. 628C|Clipper|Clipper (triazole)|Clipper 50WP|Cultar|Duo Xiao Zuo|EC No.: 616-379-6|EC No.: 927-876-5|EINECS 266-325-7|Friazole|ICI-PP 333|Multi-effect triazole|Parlay|PC 125601|PC Code 125601|PP 333|PP 333 (plant growth regulator)|rel-(2R,3R)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|rel-(2RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|rel-(2RS,3RS)-1-(4-|106357-76-0|1135441-35-8|113932-85-7|115509-55-2|1180558-13-7|128224-38-4|77108-06-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024242
ARPathway2016 ARPathway2016_1543 Paclobutrazol 76738-62-0 DTXSID2024242 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)[C@H](O)[C@H](CC1=CC=C(Cl)C=C1)N1C=NC=N1 Paclobutrazol 76738-62-0|Paclobutrazol|(2-RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|(R*,R*)-(+/-)-beta-((4-Chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (R*,R*)-(+/-)-|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (aR,bR)-rel-|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (aS,bS)-|616-379-6|927-876-5|AuStar|beta-((4-Chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|Bonzi|Bounty Flowable|Caswell No. 628C|Clipper|Clipper (triazole)|Clipper 50WP|Cultar|Duo Xiao Zuo|EC No.: 616-379-6|EC No.: 927-876-5|EINECS 266-325-7|Friazole|ICI-PP 333|Multi-effect triazole|Parlay|PC 125601|PC Code 125601|PP 333|PP 333 (plant growth regulator)|rel-(2R,3R)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|rel-(2RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|rel-(2RS,3RS)-1-(4-|106357-76-0|1135441-35-8|113932-85-7|115509-55-2|1180558-13-7|128224-38-4|77108-06-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024242
ARPathway2016 ARPathway2016_1543 Paclobutrazol 76738-62-0 DTXSID2024242 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)[C@H](O)[C@H](CC1=CC=C(Cl)C=C1)N1C=NC=N1 Paclobutrazol 76738-62-0|Paclobutrazol|(2-RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|(R*,R*)-(+/-)-beta-((4-Chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (R*,R*)-(+/-)-|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (aR,bR)-rel-|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (aS,bS)-|616-379-6|927-876-5|AuStar|beta-((4-Chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|Bonzi|Bounty Flowable|Caswell No. 628C|Clipper|Clipper (triazole)|Clipper 50WP|Cultar|Duo Xiao Zuo|EC No.: 616-379-6|EC No.: 927-876-5|EINECS 266-325-7|Friazole|ICI-PP 333|Multi-effect triazole|Parlay|PC 125601|PC Code 125601|PP 333|PP 333 (plant growth regulator)|rel-(2R,3R)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|rel-(2RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|rel-(2RS,3RS)-1-(4-|106357-76-0|1135441-35-8|113932-85-7|115509-55-2|1180558-13-7|128224-38-4|77108-06-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024242
ERPathway2016 ERPathway2016_787 Paclobutrazol 76738-62-0 DTXSID2024242 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)[C@H](O)[C@H](CC1=CC=C(Cl)C=C1)N1C=NC=N1 Paclobutrazol 76738-62-0|Paclobutrazol|(2-RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|(R*,R*)-(+/-)-beta-((4-Chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (R*,R*)-(+/-)-|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (aR,bR)-rel-|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (aS,bS)-|616-379-6|927-876-5|AuStar|beta-((4-Chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|Bonzi|Bounty Flowable|Caswell No. 628C|Clipper|Clipper (triazole)|Clipper 50WP|Cultar|Duo Xiao Zuo|EC No.: 616-379-6|EC No.: 927-876-5|EINECS 266-325-7|Friazole|ICI-PP 333|Multi-effect triazole|Parlay|PC 125601|PC Code 125601|PP 333|PP 333 (plant growth regulator)|rel-(2R,3R)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|rel-(2RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|rel-(2RS,3RS)-1-(4-|106357-76-0|1135441-35-8|113932-85-7|115509-55-2|1180558-13-7|128224-38-4|77108-06-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024242
ERPathway2016 ERPathway2016_787 Paclobutrazol 76738-62-0 DTXSID2024242 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)[C@H](O)[C@H](CC1=CC=C(Cl)C=C1)N1C=NC=N1 Paclobutrazol 76738-62-0|Paclobutrazol|(2-RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|(R*,R*)-(+/-)-beta-((4-Chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (R*,R*)-(+/-)-|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (aR,bR)-rel-|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (aS,bS)-|616-379-6|927-876-5|AuStar|beta-((4-Chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|Bonzi|Bounty Flowable|Caswell No. 628C|Clipper|Clipper (triazole)|Clipper 50WP|Cultar|Duo Xiao Zuo|EC No.: 616-379-6|EC No.: 927-876-5|EINECS 266-325-7|Friazole|ICI-PP 333|Multi-effect triazole|Parlay|PC 125601|PC Code 125601|PP 333|PP 333 (plant growth regulator)|rel-(2R,3R)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|rel-(2RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|rel-(2RS,3RS)-1-(4-|106357-76-0|1135441-35-8|113932-85-7|115509-55-2|1180558-13-7|128224-38-4|77108-06-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024242
ERPathway2016 ERPathway2016_787 Paclobutrazol 76738-62-0 DTXSID2024242 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)[C@H](O)[C@H](CC1=CC=C(Cl)C=C1)N1C=NC=N1 Paclobutrazol 76738-62-0|Paclobutrazol|(2-RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|(R*,R*)-(+/-)-beta-((4-Chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (R*,R*)-(+/-)-|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (aR,bR)-rel-|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (aS,bS)-|616-379-6|927-876-5|AuStar|beta-((4-Chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|Bonzi|Bounty Flowable|Caswell No. 628C|Clipper|Clipper (triazole)|Clipper 50WP|Cultar|Duo Xiao Zuo|EC No.: 616-379-6|EC No.: 927-876-5|EINECS 266-325-7|Friazole|ICI-PP 333|Multi-effect triazole|Parlay|PC 125601|PC Code 125601|PP 333|PP 333 (plant growth regulator)|rel-(2R,3R)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|rel-(2RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|rel-(2RS,3RS)-1-(4-|106357-76-0|1135441-35-8|113932-85-7|115509-55-2|1180558-13-7|128224-38-4|77108-06-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024242
ERPathway2016 ERPathway2016_787 Paclobutrazol 76738-62-0 DTXSID2024242 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)[C@H](O)[C@H](CC1=CC=C(Cl)C=C1)N1C=NC=N1 Paclobutrazol 76738-62-0|Paclobutrazol|(2-RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|(R*,R*)-(+/-)-beta-((4-Chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (R*,R*)-(+/-)-|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (aR,bR)-rel-|1H-1,2,4-Triazole-1-ethanol, b-[(4-chlorophenyl)methyl]-a-(1,1-dimethylethyl)-, (aS,bS)-|616-379-6|927-876-5|AuStar|beta-((4-Chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|Bonzi|Bounty Flowable|Caswell No. 628C|Clipper|Clipper (triazole)|Clipper 50WP|Cultar|Duo Xiao Zuo|EC No.: 616-379-6|EC No.: 927-876-5|EINECS 266-325-7|Friazole|ICI-PP 333|Multi-effect triazole|Parlay|PC 125601|PC Code 125601|PP 333|PP 333 (plant growth regulator)|rel-(2R,3R)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|rel-(2RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol|rel-(2RS,3RS)-1-(4-|106357-76-0|1135441-35-8|113932-85-7|115509-55-2|1180558-13-7|128224-38-4|77108-06-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2024242
ARPathway2016 ARPathway2016_976 p-Anisidinium chloride 20265-97-8 DTXSID3020093 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.COC1=CC=C(N)C=C1 p-Anisidinium chloride 20265-97-8|p-Anisidinium chloride|1-Amino-4-methoxybenzene hydrochloride|4-Aminoanisole hydrochloride|4-Anisidine hydrochloride|4-Methoxy-1-aminobenzene hydrochloride|4-Methoxyaniline hydrochloride|4-Methoxybenzenamine hydrochloride|4-Methoxybenzeneamine hydrochloride|Benzenamine, 4-methoxy-, hydrochloride (1:1)|EINECS 243-657-0|NCI-C03758|p-Aminoanisole hydrochloride|p-Anisidine HCl|p-Anisidine hydrochloride|p-Anisidine monohydrochloride|p-Anisidine, hydrochloride|p-Anisylamine hydrochloride|p-Methoxyaniline hydrochloride|p-Methoxyphenylamine hydrochloride|UNII-7C4R75N8VG https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020093 https://doi.org/10.22427/NTP-DATA-DTXSID3020093
ARPathway2016 ARPathway2016_976 p-Anisidinium chloride 20265-97-8 DTXSID3020093 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cl.COC1=CC=C(N)C=C1 p-Anisidinium chloride 20265-97-8|p-Anisidinium chloride|1-Amino-4-methoxybenzene hydrochloride|4-Aminoanisole hydrochloride|4-Anisidine hydrochloride|4-Methoxy-1-aminobenzene hydrochloride|4-Methoxyaniline hydrochloride|4-Methoxybenzenamine hydrochloride|4-Methoxybenzeneamine hydrochloride|Benzenamine, 4-methoxy-, hydrochloride (1:1)|EINECS 243-657-0|NCI-C03758|p-Aminoanisole hydrochloride|p-Anisidine HCl|p-Anisidine hydrochloride|p-Anisidine monohydrochloride|p-Anisidine, hydrochloride|p-Anisylamine hydrochloride|p-Methoxyaniline hydrochloride|p-Methoxyphenylamine hydrochloride|UNII-7C4R75N8VG https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020093 https://doi.org/10.22427/NTP-DATA-DTXSID3020093
ARPathway2016 ARPathway2016_976 p-Anisidinium chloride 20265-97-8 DTXSID3020093 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cl.COC1=CC=C(N)C=C1 p-Anisidinium chloride 20265-97-8|p-Anisidinium chloride|1-Amino-4-methoxybenzene hydrochloride|4-Aminoanisole hydrochloride|4-Anisidine hydrochloride|4-Methoxy-1-aminobenzene hydrochloride|4-Methoxyaniline hydrochloride|4-Methoxybenzenamine hydrochloride|4-Methoxybenzeneamine hydrochloride|Benzenamine, 4-methoxy-, hydrochloride (1:1)|EINECS 243-657-0|NCI-C03758|p-Aminoanisole hydrochloride|p-Anisidine HCl|p-Anisidine hydrochloride|p-Anisidine monohydrochloride|p-Anisidine, hydrochloride|p-Anisylamine hydrochloride|p-Methoxyaniline hydrochloride|p-Methoxyphenylamine hydrochloride|UNII-7C4R75N8VG https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020093 https://doi.org/10.22427/NTP-DATA-DTXSID3020093
ARPathway2016 ARPathway2016_976 p-Anisidinium chloride 20265-97-8 DTXSID3020093 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cl.COC1=CC=C(N)C=C1 p-Anisidinium chloride 20265-97-8|p-Anisidinium chloride|1-Amino-4-methoxybenzene hydrochloride|4-Aminoanisole hydrochloride|4-Anisidine hydrochloride|4-Methoxy-1-aminobenzene hydrochloride|4-Methoxyaniline hydrochloride|4-Methoxybenzenamine hydrochloride|4-Methoxybenzeneamine hydrochloride|Benzenamine, 4-methoxy-, hydrochloride (1:1)|EINECS 243-657-0|NCI-C03758|p-Aminoanisole hydrochloride|p-Anisidine HCl|p-Anisidine hydrochloride|p-Anisidine monohydrochloride|p-Anisidine, hydrochloride|p-Anisylamine hydrochloride|p-Methoxyaniline hydrochloride|p-Methoxyphenylamine hydrochloride|UNII-7C4R75N8VG https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020093 https://doi.org/10.22427/NTP-DATA-DTXSID3020093
ERPathway2016 ERPathway2016_626 p-Anisidinium chloride 20265-97-8 DTXSID3020093 A17 ER Pathway Model, Agonist Model Score 0 Unitless Cl.COC1=CC=C(N)C=C1 p-Anisidinium chloride 20265-97-8|p-Anisidinium chloride|1-Amino-4-methoxybenzene hydrochloride|4-Aminoanisole hydrochloride|4-Anisidine hydrochloride|4-Methoxy-1-aminobenzene hydrochloride|4-Methoxyaniline hydrochloride|4-Methoxybenzenamine hydrochloride|4-Methoxybenzeneamine hydrochloride|Benzenamine, 4-methoxy-, hydrochloride (1:1)|EINECS 243-657-0|NCI-C03758|p-Aminoanisole hydrochloride|p-Anisidine HCl|p-Anisidine hydrochloride|p-Anisidine monohydrochloride|p-Anisidine, hydrochloride|p-Anisylamine hydrochloride|p-Methoxyaniline hydrochloride|p-Methoxyphenylamine hydrochloride|UNII-7C4R75N8VG https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020093 https://doi.org/10.22427/NTP-DATA-DTXSID3020093
ERPathway2016 ERPathway2016_626 p-Anisidinium chloride 20265-97-8 DTXSID3020093 A17 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.COC1=CC=C(N)C=C1 p-Anisidinium chloride 20265-97-8|p-Anisidinium chloride|1-Amino-4-methoxybenzene hydrochloride|4-Aminoanisole hydrochloride|4-Anisidine hydrochloride|4-Methoxy-1-aminobenzene hydrochloride|4-Methoxyaniline hydrochloride|4-Methoxybenzenamine hydrochloride|4-Methoxybenzeneamine hydrochloride|Benzenamine, 4-methoxy-, hydrochloride (1:1)|EINECS 243-657-0|NCI-C03758|p-Aminoanisole hydrochloride|p-Anisidine HCl|p-Anisidine hydrochloride|p-Anisidine monohydrochloride|p-Anisidine, hydrochloride|p-Anisylamine hydrochloride|p-Methoxyaniline hydrochloride|p-Methoxyphenylamine hydrochloride|UNII-7C4R75N8VG https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020093 https://doi.org/10.22427/NTP-DATA-DTXSID3020093
ERPathway2016 ERPathway2016_626 p-Anisidinium chloride 20265-97-8 DTXSID3020093 A17 ER Pathway Model, Agonist Call Inactive Unitless Cl.COC1=CC=C(N)C=C1 p-Anisidinium chloride 20265-97-8|p-Anisidinium chloride|1-Amino-4-methoxybenzene hydrochloride|4-Aminoanisole hydrochloride|4-Anisidine hydrochloride|4-Methoxy-1-aminobenzene hydrochloride|4-Methoxyaniline hydrochloride|4-Methoxybenzenamine hydrochloride|4-Methoxybenzeneamine hydrochloride|Benzenamine, 4-methoxy-, hydrochloride (1:1)|EINECS 243-657-0|NCI-C03758|p-Aminoanisole hydrochloride|p-Anisidine HCl|p-Anisidine hydrochloride|p-Anisidine monohydrochloride|p-Anisidine, hydrochloride|p-Anisylamine hydrochloride|p-Methoxyaniline hydrochloride|p-Methoxyphenylamine hydrochloride|UNII-7C4R75N8VG https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020093 https://doi.org/10.22427/NTP-DATA-DTXSID3020093
ERPathway2016 ERPathway2016_626 p-Anisidinium chloride 20265-97-8 DTXSID3020093 A17 ER Pathway Model, Antagonist Call Inactive Unitless Cl.COC1=CC=C(N)C=C1 p-Anisidinium chloride 20265-97-8|p-Anisidinium chloride|1-Amino-4-methoxybenzene hydrochloride|4-Aminoanisole hydrochloride|4-Anisidine hydrochloride|4-Methoxy-1-aminobenzene hydrochloride|4-Methoxyaniline hydrochloride|4-Methoxybenzenamine hydrochloride|4-Methoxybenzeneamine hydrochloride|Benzenamine, 4-methoxy-, hydrochloride (1:1)|EINECS 243-657-0|NCI-C03758|p-Aminoanisole hydrochloride|p-Anisidine HCl|p-Anisidine hydrochloride|p-Anisidine monohydrochloride|p-Anisidine, hydrochloride|p-Anisylamine hydrochloride|p-Methoxyaniline hydrochloride|p-Methoxyphenylamine hydrochloride|UNII-7C4R75N8VG https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020093 https://doi.org/10.22427/NTP-DATA-DTXSID3020093
ARPathway2016 ARPathway2016_1132 Paraoxon 311-45-5 DTXSID6024046 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O Paraoxon 311-45-5|Paraoxon|4-Nitrophenyl diethyl phosphate|BRN 1915526|Chinorta|Chinorto|DIAETHYL-(P-NITROPHENYL)-PHOSPHAT|Diaethyl-p-nitrophenylphosphorsaeureester|diethyl 4-nitrophenyl phosphate|Diethyl p-nitrophenyl phosphate|diethyl paraoxon|Diethyl-4-nitrophenylphosphat|Diethyl-p-nitrofenyl ester kyseliny fosforecne|Diethyl-p-nitrophenyl phosphate|Diethylparaoxon|EINECS 206-221-0|Ethyl p-nitrophenyl ethylphosphate|Ethyl paraoxan|Ethyl paraoxon|Fosfakol|fosfato de dietilo y 4-nitrofenilo|Mintaco|Mintacol|Mintisal|Miotisal|Miotisal A|NSC 404110|O-(4-Nitrophenyl) O,O-diethyl phosphate|O,O-Diethyl O-p-nitrophenyl phosphate|O,O-Diethyl phosphoric acid O-p-nitrophenyl ester|O,O-Dietyl-O-p-nitrofenylfosfat|O,O'Diaethyl-p-nitrophenylphosphat|Oxyparathion|p-Nitrophenyl diethyl phosphate|p-Nitrophenyl diethylphosphate|Paraoxan|Paraoxon-ethyl|Paraoxone|Parathion oxon|Paroxan|Phenol, p-nitro-, ester with diethyl phosphate|Phosphachole|Phosphacol|Phosphakol|phosphate de diethyle et de 4-nitrophenyle|Phosphonothioic acid, diethylparanitrophenyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024046
ARPathway2016 ARPathway2016_1132 Paraoxon 311-45-5 DTXSID6024046 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O Paraoxon 311-45-5|Paraoxon|4-Nitrophenyl diethyl phosphate|BRN 1915526|Chinorta|Chinorto|DIAETHYL-(P-NITROPHENYL)-PHOSPHAT|Diaethyl-p-nitrophenylphosphorsaeureester|diethyl 4-nitrophenyl phosphate|Diethyl p-nitrophenyl phosphate|diethyl paraoxon|Diethyl-4-nitrophenylphosphat|Diethyl-p-nitrofenyl ester kyseliny fosforecne|Diethyl-p-nitrophenyl phosphate|Diethylparaoxon|EINECS 206-221-0|Ethyl p-nitrophenyl ethylphosphate|Ethyl paraoxan|Ethyl paraoxon|Fosfakol|fosfato de dietilo y 4-nitrofenilo|Mintaco|Mintacol|Mintisal|Miotisal|Miotisal A|NSC 404110|O-(4-Nitrophenyl) O,O-diethyl phosphate|O,O-Diethyl O-p-nitrophenyl phosphate|O,O-Diethyl phosphoric acid O-p-nitrophenyl ester|O,O-Dietyl-O-p-nitrofenylfosfat|O,O'Diaethyl-p-nitrophenylphosphat|Oxyparathion|p-Nitrophenyl diethyl phosphate|p-Nitrophenyl diethylphosphate|Paraoxan|Paraoxon-ethyl|Paraoxone|Parathion oxon|Paroxan|Phenol, p-nitro-, ester with diethyl phosphate|Phosphachole|Phosphacol|Phosphakol|phosphate de diethyle et de 4-nitrophenyle|Phosphonothioic acid, diethylparanitrophenyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024046
ARPathway2016 ARPathway2016_1132 Paraoxon 311-45-5 DTXSID6024046 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Agonist Call Inactive Unitless CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O Paraoxon 311-45-5|Paraoxon|4-Nitrophenyl diethyl phosphate|BRN 1915526|Chinorta|Chinorto|DIAETHYL-(P-NITROPHENYL)-PHOSPHAT|Diaethyl-p-nitrophenylphosphorsaeureester|diethyl 4-nitrophenyl phosphate|Diethyl p-nitrophenyl phosphate|diethyl paraoxon|Diethyl-4-nitrophenylphosphat|Diethyl-p-nitrofenyl ester kyseliny fosforecne|Diethyl-p-nitrophenyl phosphate|Diethylparaoxon|EINECS 206-221-0|Ethyl p-nitrophenyl ethylphosphate|Ethyl paraoxan|Ethyl paraoxon|Fosfakol|fosfato de dietilo y 4-nitrofenilo|Mintaco|Mintacol|Mintisal|Miotisal|Miotisal A|NSC 404110|O-(4-Nitrophenyl) O,O-diethyl phosphate|O,O-Diethyl O-p-nitrophenyl phosphate|O,O-Diethyl phosphoric acid O-p-nitrophenyl ester|O,O-Dietyl-O-p-nitrofenylfosfat|O,O'Diaethyl-p-nitrophenylphosphat|Oxyparathion|p-Nitrophenyl diethyl phosphate|p-Nitrophenyl diethylphosphate|Paraoxan|Paraoxon-ethyl|Paraoxone|Parathion oxon|Paroxan|Phenol, p-nitro-, ester with diethyl phosphate|Phosphachole|Phosphacol|Phosphakol|phosphate de diethyle et de 4-nitrophenyle|Phosphonothioic acid, diethylparanitrophenyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024046
ARPathway2016 ARPathway2016_1132 Paraoxon 311-45-5 DTXSID6024046 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O Paraoxon 311-45-5|Paraoxon|4-Nitrophenyl diethyl phosphate|BRN 1915526|Chinorta|Chinorto|DIAETHYL-(P-NITROPHENYL)-PHOSPHAT|Diaethyl-p-nitrophenylphosphorsaeureester|diethyl 4-nitrophenyl phosphate|Diethyl p-nitrophenyl phosphate|diethyl paraoxon|Diethyl-4-nitrophenylphosphat|Diethyl-p-nitrofenyl ester kyseliny fosforecne|Diethyl-p-nitrophenyl phosphate|Diethylparaoxon|EINECS 206-221-0|Ethyl p-nitrophenyl ethylphosphate|Ethyl paraoxan|Ethyl paraoxon|Fosfakol|fosfato de dietilo y 4-nitrofenilo|Mintaco|Mintacol|Mintisal|Miotisal|Miotisal A|NSC 404110|O-(4-Nitrophenyl) O,O-diethyl phosphate|O,O-Diethyl O-p-nitrophenyl phosphate|O,O-Diethyl phosphoric acid O-p-nitrophenyl ester|O,O-Dietyl-O-p-nitrofenylfosfat|O,O'Diaethyl-p-nitrophenylphosphat|Oxyparathion|p-Nitrophenyl diethyl phosphate|p-Nitrophenyl diethylphosphate|Paraoxan|Paraoxon-ethyl|Paraoxone|Parathion oxon|Paroxan|Phenol, p-nitro-, ester with diethyl phosphate|Phosphachole|Phosphacol|Phosphakol|phosphate de diethyle et de 4-nitrophenyle|Phosphonothioic acid, diethylparanitrophenyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024046
ERPathway2016 ERPathway2016_622 Paraoxon 311-45-5 DTXSID6024046 A17 ER Pathway Model, Agonist Model Score 0 Unitless CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O Paraoxon 311-45-5|Paraoxon|4-Nitrophenyl diethyl phosphate|BRN 1915526|Chinorta|Chinorto|DIAETHYL-(P-NITROPHENYL)-PHOSPHAT|Diaethyl-p-nitrophenylphosphorsaeureester|diethyl 4-nitrophenyl phosphate|Diethyl p-nitrophenyl phosphate|diethyl paraoxon|Diethyl-4-nitrophenylphosphat|Diethyl-p-nitrofenyl ester kyseliny fosforecne|Diethyl-p-nitrophenyl phosphate|Diethylparaoxon|EINECS 206-221-0|Ethyl p-nitrophenyl ethylphosphate|Ethyl paraoxan|Ethyl paraoxon|Fosfakol|fosfato de dietilo y 4-nitrofenilo|Mintaco|Mintacol|Mintisal|Miotisal|Miotisal A|NSC 404110|O-(4-Nitrophenyl) O,O-diethyl phosphate|O,O-Diethyl O-p-nitrophenyl phosphate|O,O-Diethyl phosphoric acid O-p-nitrophenyl ester|O,O-Dietyl-O-p-nitrofenylfosfat|O,O'Diaethyl-p-nitrophenylphosphat|Oxyparathion|p-Nitrophenyl diethyl phosphate|p-Nitrophenyl diethylphosphate|Paraoxan|Paraoxon-ethyl|Paraoxone|Parathion oxon|Paroxan|Phenol, p-nitro-, ester with diethyl phosphate|Phosphachole|Phosphacol|Phosphakol|phosphate de diethyle et de 4-nitrophenyle|Phosphonothioic acid, diethylparanitrophenyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024046
ERPathway2016 ERPathway2016_622 Paraoxon 311-45-5 DTXSID6024046 A17 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O Paraoxon 311-45-5|Paraoxon|4-Nitrophenyl diethyl phosphate|BRN 1915526|Chinorta|Chinorto|DIAETHYL-(P-NITROPHENYL)-PHOSPHAT|Diaethyl-p-nitrophenylphosphorsaeureester|diethyl 4-nitrophenyl phosphate|Diethyl p-nitrophenyl phosphate|diethyl paraoxon|Diethyl-4-nitrophenylphosphat|Diethyl-p-nitrofenyl ester kyseliny fosforecne|Diethyl-p-nitrophenyl phosphate|Diethylparaoxon|EINECS 206-221-0|Ethyl p-nitrophenyl ethylphosphate|Ethyl paraoxan|Ethyl paraoxon|Fosfakol|fosfato de dietilo y 4-nitrofenilo|Mintaco|Mintacol|Mintisal|Miotisal|Miotisal A|NSC 404110|O-(4-Nitrophenyl) O,O-diethyl phosphate|O,O-Diethyl O-p-nitrophenyl phosphate|O,O-Diethyl phosphoric acid O-p-nitrophenyl ester|O,O-Dietyl-O-p-nitrofenylfosfat|O,O'Diaethyl-p-nitrophenylphosphat|Oxyparathion|p-Nitrophenyl diethyl phosphate|p-Nitrophenyl diethylphosphate|Paraoxan|Paraoxon-ethyl|Paraoxone|Parathion oxon|Paroxan|Phenol, p-nitro-, ester with diethyl phosphate|Phosphachole|Phosphacol|Phosphakol|phosphate de diethyle et de 4-nitrophenyle|Phosphonothioic acid, diethylparanitrophenyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024046
ERPathway2016 ERPathway2016_622 Paraoxon 311-45-5 DTXSID6024046 A17 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O Paraoxon 311-45-5|Paraoxon|4-Nitrophenyl diethyl phosphate|BRN 1915526|Chinorta|Chinorto|DIAETHYL-(P-NITROPHENYL)-PHOSPHAT|Diaethyl-p-nitrophenylphosphorsaeureester|diethyl 4-nitrophenyl phosphate|Diethyl p-nitrophenyl phosphate|diethyl paraoxon|Diethyl-4-nitrophenylphosphat|Diethyl-p-nitrofenyl ester kyseliny fosforecne|Diethyl-p-nitrophenyl phosphate|Diethylparaoxon|EINECS 206-221-0|Ethyl p-nitrophenyl ethylphosphate|Ethyl paraoxan|Ethyl paraoxon|Fosfakol|fosfato de dietilo y 4-nitrofenilo|Mintaco|Mintacol|Mintisal|Miotisal|Miotisal A|NSC 404110|O-(4-Nitrophenyl) O,O-diethyl phosphate|O,O-Diethyl O-p-nitrophenyl phosphate|O,O-Diethyl phosphoric acid O-p-nitrophenyl ester|O,O-Dietyl-O-p-nitrofenylfosfat|O,O'Diaethyl-p-nitrophenylphosphat|Oxyparathion|p-Nitrophenyl diethyl phosphate|p-Nitrophenyl diethylphosphate|Paraoxan|Paraoxon-ethyl|Paraoxone|Parathion oxon|Paroxan|Phenol, p-nitro-, ester with diethyl phosphate|Phosphachole|Phosphacol|Phosphakol|phosphate de diethyle et de 4-nitrophenyle|Phosphonothioic acid, diethylparanitrophenyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024046
ERPathway2016 ERPathway2016_622 Paraoxon 311-45-5 DTXSID6024046 A17 ER Pathway Model, Antagonist Call Inactive Unitless CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O Paraoxon 311-45-5|Paraoxon|4-Nitrophenyl diethyl phosphate|BRN 1915526|Chinorta|Chinorto|DIAETHYL-(P-NITROPHENYL)-PHOSPHAT|Diaethyl-p-nitrophenylphosphorsaeureester|diethyl 4-nitrophenyl phosphate|Diethyl p-nitrophenyl phosphate|diethyl paraoxon|Diethyl-4-nitrophenylphosphat|Diethyl-p-nitrofenyl ester kyseliny fosforecne|Diethyl-p-nitrophenyl phosphate|Diethylparaoxon|EINECS 206-221-0|Ethyl p-nitrophenyl ethylphosphate|Ethyl paraoxan|Ethyl paraoxon|Fosfakol|fosfato de dietilo y 4-nitrofenilo|Mintaco|Mintacol|Mintisal|Miotisal|Miotisal A|NSC 404110|O-(4-Nitrophenyl) O,O-diethyl phosphate|O,O-Diethyl O-p-nitrophenyl phosphate|O,O-Diethyl phosphoric acid O-p-nitrophenyl ester|O,O-Dietyl-O-p-nitrofenylfosfat|O,O'Diaethyl-p-nitrophenylphosphat|Oxyparathion|p-Nitrophenyl diethyl phosphate|p-Nitrophenyl diethylphosphate|Paraoxan|Paraoxon-ethyl|Paraoxone|Parathion oxon|Paroxan|Phenol, p-nitro-, ester with diethyl phosphate|Phosphachole|Phosphacol|Phosphakol|phosphate de diethyle et de 4-nitrophenyle|Phosphonothioic acid, diethylparanitrophenyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024046
ARPathway2016 ARPathway2016_214 Parathion 56-38-2 DTXSID7021100 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 3.91867358172423 uM CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O Parathion 56-38-2|Parathion|4-06-00-01337|AAT|AATP|Alkron|Alleron|American Cyanamid 3422|Aphamite|Aqua 9-Parathion|Aralo|BAY 1605|Bayer E-605|Bladan|Bladan F|Bladen|BRN 2059093|Caswell No. 637|Corothion|Corthione|Danthion|Deoxynucleoside 5'-triphosphate|Diethyl 4-nitrophenyl phosphorothioate|Diethyl 4-nitrophenyl phosphorothionate|Diethyl O-p-nitrophenyl phosphorothioate|Diethyl O-p-nitrophenyl phosphorothioic acid|Diethyl p-nitrophenyl phosphorothionate|Diethyl p-nitrophenyl thionophosphate|Diethyl p-nitrophenyl thiophosphate|Diethyl p-nitrophenylthiophosphate|Diethyl para-nitrophenol thiophosphate|Diethyl parathion|Diethyl-p-nitrophenyl monothiophosphate|Diethylparathion|Dietil tiofosfato de p-nitrofenila|DNTP|Drexel parathion 8E|Durathion|E 605|E 605 forte|E 605F|E 605FT20|EC No.: 200-271-7|Ecatox|Ecatox 20|EINECS 200-271-7|Ekatin WF & WF ULV|Ekatox|Ekatox 20|ENT 15108|EPA Pesticide Chemical Code 057501|EPA Shaughnessy Code: 057501|Ethlon|ethyl 4-nitrophenyl ethoxy(sulfanylidene)phosphonite|Ethyl parathion|Ethyl parathion (O,O-diethy|110616-89-2|11111-91-4|8057-70-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021100 https://doi.org/10.22427/NTP-DATA-DTXSID7021100
ARPathway2016 ARPathway2016_214 Parathion 56-38-2 DTXSID7021100 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 3.7244935245457 uM CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O Parathion 56-38-2|Parathion|4-06-00-01337|AAT|AATP|Alkron|Alleron|American Cyanamid 3422|Aphamite|Aqua 9-Parathion|Aralo|BAY 1605|Bayer E-605|Bladan|Bladan F|Bladen|BRN 2059093|Caswell No. 637|Corothion|Corthione|Danthion|Deoxynucleoside 5'-triphosphate|Diethyl 4-nitrophenyl phosphorothioate|Diethyl 4-nitrophenyl phosphorothionate|Diethyl O-p-nitrophenyl phosphorothioate|Diethyl O-p-nitrophenyl phosphorothioic acid|Diethyl p-nitrophenyl phosphorothionate|Diethyl p-nitrophenyl thionophosphate|Diethyl p-nitrophenyl thiophosphate|Diethyl p-nitrophenylthiophosphate|Diethyl para-nitrophenol thiophosphate|Diethyl parathion|Diethyl-p-nitrophenyl monothiophosphate|Diethylparathion|Dietil tiofosfato de p-nitrofenila|DNTP|Drexel parathion 8E|Durathion|E 605|E 605 forte|E 605F|E 605FT20|EC No.: 200-271-7|Ecatox|Ecatox 20|EINECS 200-271-7|Ekatin WF & WF ULV|Ekatox|Ekatox 20|ENT 15108|EPA Pesticide Chemical Code 057501|EPA Shaughnessy Code: 057501|Ethlon|ethyl 4-nitrophenyl ethoxy(sulfanylidene)phosphonite|Ethyl parathion|Ethyl parathion (O,O-diethy|110616-89-2|11111-91-4|8057-70-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021100 https://doi.org/10.22427/NTP-DATA-DTXSID7021100
ARPathway2016 ARPathway2016_214 Parathion 56-38-2 DTXSID7021100 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.146 Unitless CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O Parathion 56-38-2|Parathion|4-06-00-01337|AAT|AATP|Alkron|Alleron|American Cyanamid 3422|Aphamite|Aqua 9-Parathion|Aralo|BAY 1605|Bayer E-605|Bladan|Bladan F|Bladen|BRN 2059093|Caswell No. 637|Corothion|Corthione|Danthion|Deoxynucleoside 5'-triphosphate|Diethyl 4-nitrophenyl phosphorothioate|Diethyl 4-nitrophenyl phosphorothionate|Diethyl O-p-nitrophenyl phosphorothioate|Diethyl O-p-nitrophenyl phosphorothioic acid|Diethyl p-nitrophenyl phosphorothionate|Diethyl p-nitrophenyl thionophosphate|Diethyl p-nitrophenyl thiophosphate|Diethyl p-nitrophenylthiophosphate|Diethyl para-nitrophenol thiophosphate|Diethyl parathion|Diethyl-p-nitrophenyl monothiophosphate|Diethylparathion|Dietil tiofosfato de p-nitrofenila|DNTP|Drexel parathion 8E|Durathion|E 605|E 605 forte|E 605F|E 605FT20|EC No.: 200-271-7|Ecatox|Ecatox 20|EINECS 200-271-7|Ekatin WF & WF ULV|Ekatox|Ekatox 20|ENT 15108|EPA Pesticide Chemical Code 057501|EPA Shaughnessy Code: 057501|Ethlon|ethyl 4-nitrophenyl ethoxy(sulfanylidene)phosphonite|Ethyl parathion|Ethyl parathion (O,O-diethy|110616-89-2|11111-91-4|8057-70-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021100 https://doi.org/10.22427/NTP-DATA-DTXSID7021100
ARPathway2016 ARPathway2016_214 Parathion 56-38-2 DTXSID7021100 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O Parathion 56-38-2|Parathion|4-06-00-01337|AAT|AATP|Alkron|Alleron|American Cyanamid 3422|Aphamite|Aqua 9-Parathion|Aralo|BAY 1605|Bayer E-605|Bladan|Bladan F|Bladen|BRN 2059093|Caswell No. 637|Corothion|Corthione|Danthion|Deoxynucleoside 5'-triphosphate|Diethyl 4-nitrophenyl phosphorothioate|Diethyl 4-nitrophenyl phosphorothionate|Diethyl O-p-nitrophenyl phosphorothioate|Diethyl O-p-nitrophenyl phosphorothioic acid|Diethyl p-nitrophenyl phosphorothionate|Diethyl p-nitrophenyl thionophosphate|Diethyl p-nitrophenyl thiophosphate|Diethyl p-nitrophenylthiophosphate|Diethyl para-nitrophenol thiophosphate|Diethyl parathion|Diethyl-p-nitrophenyl monothiophosphate|Diethylparathion|Dietil tiofosfato de p-nitrofenila|DNTP|Drexel parathion 8E|Durathion|E 605|E 605 forte|E 605F|E 605FT20|EC No.: 200-271-7|Ecatox|Ecatox 20|EINECS 200-271-7|Ekatin WF & WF ULV|Ekatox|Ekatox 20|ENT 15108|EPA Pesticide Chemical Code 057501|EPA Shaughnessy Code: 057501|Ethlon|ethyl 4-nitrophenyl ethoxy(sulfanylidene)phosphonite|Ethyl parathion|Ethyl parathion (O,O-diethy|110616-89-2|11111-91-4|8057-70-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021100 https://doi.org/10.22427/NTP-DATA-DTXSID7021100
ARPathway2016 ARPathway2016_214 Parathion 56-38-2 DTXSID7021100 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O Parathion 56-38-2|Parathion|4-06-00-01337|AAT|AATP|Alkron|Alleron|American Cyanamid 3422|Aphamite|Aqua 9-Parathion|Aralo|BAY 1605|Bayer E-605|Bladan|Bladan F|Bladen|BRN 2059093|Caswell No. 637|Corothion|Corthione|Danthion|Deoxynucleoside 5'-triphosphate|Diethyl 4-nitrophenyl phosphorothioate|Diethyl 4-nitrophenyl phosphorothionate|Diethyl O-p-nitrophenyl phosphorothioate|Diethyl O-p-nitrophenyl phosphorothioic acid|Diethyl p-nitrophenyl phosphorothionate|Diethyl p-nitrophenyl thionophosphate|Diethyl p-nitrophenyl thiophosphate|Diethyl p-nitrophenylthiophosphate|Diethyl para-nitrophenol thiophosphate|Diethyl parathion|Diethyl-p-nitrophenyl monothiophosphate|Diethylparathion|Dietil tiofosfato de p-nitrofenila|DNTP|Drexel parathion 8E|Durathion|E 605|E 605 forte|E 605F|E 605FT20|EC No.: 200-271-7|Ecatox|Ecatox 20|EINECS 200-271-7|Ekatin WF & WF ULV|Ekatox|Ekatox 20|ENT 15108|EPA Pesticide Chemical Code 057501|EPA Shaughnessy Code: 057501|Ethlon|ethyl 4-nitrophenyl ethoxy(sulfanylidene)phosphonite|Ethyl parathion|Ethyl parathion (O,O-diethy|110616-89-2|11111-91-4|8057-70-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021100 https://doi.org/10.22427/NTP-DATA-DTXSID7021100
ARPathway2016 ARPathway2016_214 Parathion 56-38-2 DTXSID7021100 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O Parathion 56-38-2|Parathion|4-06-00-01337|AAT|AATP|Alkron|Alleron|American Cyanamid 3422|Aphamite|Aqua 9-Parathion|Aralo|BAY 1605|Bayer E-605|Bladan|Bladan F|Bladen|BRN 2059093|Caswell No. 637|Corothion|Corthione|Danthion|Deoxynucleoside 5'-triphosphate|Diethyl 4-nitrophenyl phosphorothioate|Diethyl 4-nitrophenyl phosphorothionate|Diethyl O-p-nitrophenyl phosphorothioate|Diethyl O-p-nitrophenyl phosphorothioic acid|Diethyl p-nitrophenyl phosphorothionate|Diethyl p-nitrophenyl thionophosphate|Diethyl p-nitrophenyl thiophosphate|Diethyl p-nitrophenylthiophosphate|Diethyl para-nitrophenol thiophosphate|Diethyl parathion|Diethyl-p-nitrophenyl monothiophosphate|Diethylparathion|Dietil tiofosfato de p-nitrofenila|DNTP|Drexel parathion 8E|Durathion|E 605|E 605 forte|E 605F|E 605FT20|EC No.: 200-271-7|Ecatox|Ecatox 20|EINECS 200-271-7|Ekatin WF & WF ULV|Ekatox|Ekatox 20|ENT 15108|EPA Pesticide Chemical Code 057501|EPA Shaughnessy Code: 057501|Ethlon|ethyl 4-nitrophenyl ethoxy(sulfanylidene)phosphonite|Ethyl parathion|Ethyl parathion (O,O-diethy|110616-89-2|11111-91-4|8057-70-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021100 https://doi.org/10.22427/NTP-DATA-DTXSID7021100
ERPathway2016 ERPathway2016_807 Parathion 56-38-2 DTXSID7021100 R6 ER Pathway Model, Agonist Model Score 0 Unitless CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O Parathion 56-38-2|Parathion|4-06-00-01337|AAT|AATP|Alkron|Alleron|American Cyanamid 3422|Aphamite|Aqua 9-Parathion|Aralo|BAY 1605|Bayer E-605|Bladan|Bladan F|Bladen|BRN 2059093|Caswell No. 637|Corothion|Corthione|Danthion|Deoxynucleoside 5'-triphosphate|Diethyl 4-nitrophenyl phosphorothioate|Diethyl 4-nitrophenyl phosphorothionate|Diethyl O-p-nitrophenyl phosphorothioate|Diethyl O-p-nitrophenyl phosphorothioic acid|Diethyl p-nitrophenyl phosphorothionate|Diethyl p-nitrophenyl thionophosphate|Diethyl p-nitrophenyl thiophosphate|Diethyl p-nitrophenylthiophosphate|Diethyl para-nitrophenol thiophosphate|Diethyl parathion|Diethyl-p-nitrophenyl monothiophosphate|Diethylparathion|Dietil tiofosfato de p-nitrofenila|DNTP|Drexel parathion 8E|Durathion|E 605|E 605 forte|E 605F|E 605FT20|EC No.: 200-271-7|Ecatox|Ecatox 20|EINECS 200-271-7|Ekatin WF & WF ULV|Ekatox|Ekatox 20|ENT 15108|EPA Pesticide Chemical Code 057501|EPA Shaughnessy Code: 057501|Ethlon|ethyl 4-nitrophenyl ethoxy(sulfanylidene)phosphonite|Ethyl parathion|Ethyl parathion (O,O-diethy|110616-89-2|11111-91-4|8057-70-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021100 https://doi.org/10.22427/NTP-DATA-DTXSID7021100
ERPathway2016 ERPathway2016_807 Parathion 56-38-2 DTXSID7021100 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O Parathion 56-38-2|Parathion|4-06-00-01337|AAT|AATP|Alkron|Alleron|American Cyanamid 3422|Aphamite|Aqua 9-Parathion|Aralo|BAY 1605|Bayer E-605|Bladan|Bladan F|Bladen|BRN 2059093|Caswell No. 637|Corothion|Corthione|Danthion|Deoxynucleoside 5'-triphosphate|Diethyl 4-nitrophenyl phosphorothioate|Diethyl 4-nitrophenyl phosphorothionate|Diethyl O-p-nitrophenyl phosphorothioate|Diethyl O-p-nitrophenyl phosphorothioic acid|Diethyl p-nitrophenyl phosphorothionate|Diethyl p-nitrophenyl thionophosphate|Diethyl p-nitrophenyl thiophosphate|Diethyl p-nitrophenylthiophosphate|Diethyl para-nitrophenol thiophosphate|Diethyl parathion|Diethyl-p-nitrophenyl monothiophosphate|Diethylparathion|Dietil tiofosfato de p-nitrofenila|DNTP|Drexel parathion 8E|Durathion|E 605|E 605 forte|E 605F|E 605FT20|EC No.: 200-271-7|Ecatox|Ecatox 20|EINECS 200-271-7|Ekatin WF & WF ULV|Ekatox|Ekatox 20|ENT 15108|EPA Pesticide Chemical Code 057501|EPA Shaughnessy Code: 057501|Ethlon|ethyl 4-nitrophenyl ethoxy(sulfanylidene)phosphonite|Ethyl parathion|Ethyl parathion (O,O-diethy|110616-89-2|11111-91-4|8057-70-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021100 https://doi.org/10.22427/NTP-DATA-DTXSID7021100
ERPathway2016 ERPathway2016_807 Parathion 56-38-2 DTXSID7021100 R6 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O Parathion 56-38-2|Parathion|4-06-00-01337|AAT|AATP|Alkron|Alleron|American Cyanamid 3422|Aphamite|Aqua 9-Parathion|Aralo|BAY 1605|Bayer E-605|Bladan|Bladan F|Bladen|BRN 2059093|Caswell No. 637|Corothion|Corthione|Danthion|Deoxynucleoside 5'-triphosphate|Diethyl 4-nitrophenyl phosphorothioate|Diethyl 4-nitrophenyl phosphorothionate|Diethyl O-p-nitrophenyl phosphorothioate|Diethyl O-p-nitrophenyl phosphorothioic acid|Diethyl p-nitrophenyl phosphorothionate|Diethyl p-nitrophenyl thionophosphate|Diethyl p-nitrophenyl thiophosphate|Diethyl p-nitrophenylthiophosphate|Diethyl para-nitrophenol thiophosphate|Diethyl parathion|Diethyl-p-nitrophenyl monothiophosphate|Diethylparathion|Dietil tiofosfato de p-nitrofenila|DNTP|Drexel parathion 8E|Durathion|E 605|E 605 forte|E 605F|E 605FT20|EC No.: 200-271-7|Ecatox|Ecatox 20|EINECS 200-271-7|Ekatin WF & WF ULV|Ekatox|Ekatox 20|ENT 15108|EPA Pesticide Chemical Code 057501|EPA Shaughnessy Code: 057501|Ethlon|ethyl 4-nitrophenyl ethoxy(sulfanylidene)phosphonite|Ethyl parathion|Ethyl parathion (O,O-diethy|110616-89-2|11111-91-4|8057-70-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021100 https://doi.org/10.22427/NTP-DATA-DTXSID7021100
ERPathway2016 ERPathway2016_807 Parathion 56-38-2 DTXSID7021100 R6 ER Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O Parathion 56-38-2|Parathion|4-06-00-01337|AAT|AATP|Alkron|Alleron|American Cyanamid 3422|Aphamite|Aqua 9-Parathion|Aralo|BAY 1605|Bayer E-605|Bladan|Bladan F|Bladen|BRN 2059093|Caswell No. 637|Corothion|Corthione|Danthion|Deoxynucleoside 5'-triphosphate|Diethyl 4-nitrophenyl phosphorothioate|Diethyl 4-nitrophenyl phosphorothionate|Diethyl O-p-nitrophenyl phosphorothioate|Diethyl O-p-nitrophenyl phosphorothioic acid|Diethyl p-nitrophenyl phosphorothionate|Diethyl p-nitrophenyl thionophosphate|Diethyl p-nitrophenyl thiophosphate|Diethyl p-nitrophenylthiophosphate|Diethyl para-nitrophenol thiophosphate|Diethyl parathion|Diethyl-p-nitrophenyl monothiophosphate|Diethylparathion|Dietil tiofosfato de p-nitrofenila|DNTP|Drexel parathion 8E|Durathion|E 605|E 605 forte|E 605F|E 605FT20|EC No.: 200-271-7|Ecatox|Ecatox 20|EINECS 200-271-7|Ekatin WF & WF ULV|Ekatox|Ekatox 20|ENT 15108|EPA Pesticide Chemical Code 057501|EPA Shaughnessy Code: 057501|Ethlon|ethyl 4-nitrophenyl ethoxy(sulfanylidene)phosphonite|Ethyl parathion|Ethyl parathion (O,O-diethy|110616-89-2|11111-91-4|8057-70-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021100 https://doi.org/10.22427/NTP-DATA-DTXSID7021100
ARPathway2016 ARPathway2016_414 p-Bromodiphenyl ether 101-55-3 DTXSID8023927 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless BrC1=CC=C(OC2=CC=CC=C2)C=C1 p-Bromodiphenyl ether 101-55-3|p-Bromodiphenyl ether|1-Bromo-4-phenoxybenzene|202-952-4|4-Bromodiphenyl ether|4-Bromophenoxybenzene|4-bromophenyl phenyl ether|4-Phenoxy-1-bromobenzene|BDE3|Benzene, 1-bromo-4-phenoxy-|Diphenyl ether, 4-bromo-|EC No.: 202-952-4|EINECS 202-952-4|Ether, 4-bromophenyl phenyl|Ether, p-bromophenyl phenyl|NSC 5619|p-(Phenoxy)bromobenzene|p-Bromophenoxybenzene|p-Bromophenyl phenyl ether|p-Phenoxybromobenzene|PBDE 3|PCB 3|Phenyl (4-bromophenyl) ether|Phenyl ether, 4-bromo-|UNII-N19SE3QCFN https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023927
ARPathway2016 ARPathway2016_414 p-Bromodiphenyl ether 101-55-3 DTXSID8023927 0.0 AR Pathway Model, Agonist Model Score 0 Unitless BrC1=CC=C(OC2=CC=CC=C2)C=C1 p-Bromodiphenyl ether 101-55-3|p-Bromodiphenyl ether|1-Bromo-4-phenoxybenzene|202-952-4|4-Bromodiphenyl ether|4-Bromophenoxybenzene|4-bromophenyl phenyl ether|4-Phenoxy-1-bromobenzene|BDE3|Benzene, 1-bromo-4-phenoxy-|Diphenyl ether, 4-bromo-|EC No.: 202-952-4|EINECS 202-952-4|Ether, 4-bromophenyl phenyl|Ether, p-bromophenyl phenyl|NSC 5619|p-(Phenoxy)bromobenzene|p-Bromophenoxybenzene|p-Bromophenyl phenyl ether|p-Phenoxybromobenzene|PBDE 3|PCB 3|Phenyl (4-bromophenyl) ether|Phenyl ether, 4-bromo-|UNII-N19SE3QCFN https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023927
ARPathway2016 ARPathway2016_414 p-Bromodiphenyl ether 101-55-3 DTXSID8023927 0.0 AR Pathway Model, Antagonist Call Inactive Unitless BrC1=CC=C(OC2=CC=CC=C2)C=C1 p-Bromodiphenyl ether 101-55-3|p-Bromodiphenyl ether|1-Bromo-4-phenoxybenzene|202-952-4|4-Bromodiphenyl ether|4-Bromophenoxybenzene|4-bromophenyl phenyl ether|4-Phenoxy-1-bromobenzene|BDE3|Benzene, 1-bromo-4-phenoxy-|Diphenyl ether, 4-bromo-|EC No.: 202-952-4|EINECS 202-952-4|Ether, 4-bromophenyl phenyl|Ether, p-bromophenyl phenyl|NSC 5619|p-(Phenoxy)bromobenzene|p-Bromophenoxybenzene|p-Bromophenyl phenyl ether|p-Phenoxybromobenzene|PBDE 3|PCB 3|Phenyl (4-bromophenyl) ether|Phenyl ether, 4-bromo-|UNII-N19SE3QCFN https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023927
ARPathway2016 ARPathway2016_414 p-Bromodiphenyl ether 101-55-3 DTXSID8023927 0.0 AR Pathway Model, Agonist Call Inactive Unitless BrC1=CC=C(OC2=CC=CC=C2)C=C1 p-Bromodiphenyl ether 101-55-3|p-Bromodiphenyl ether|1-Bromo-4-phenoxybenzene|202-952-4|4-Bromodiphenyl ether|4-Bromophenoxybenzene|4-bromophenyl phenyl ether|4-Phenoxy-1-bromobenzene|BDE3|Benzene, 1-bromo-4-phenoxy-|Diphenyl ether, 4-bromo-|EC No.: 202-952-4|EINECS 202-952-4|Ether, 4-bromophenyl phenyl|Ether, p-bromophenyl phenyl|NSC 5619|p-(Phenoxy)bromobenzene|p-Bromophenoxybenzene|p-Bromophenyl phenyl ether|p-Phenoxybromobenzene|PBDE 3|PCB 3|Phenyl (4-bromophenyl) ether|Phenyl ether, 4-bromo-|UNII-N19SE3QCFN https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023927
ERPathway2016 ERPathway2016_419 p-Bromodiphenyl ether 101-55-3 DTXSID8023927 ER Pathway Model, Antagonist AC50 55.8438935188145 uM BrC1=CC=C(OC2=CC=CC=C2)C=C1 p-Bromodiphenyl ether 101-55-3|p-Bromodiphenyl ether|1-Bromo-4-phenoxybenzene|202-952-4|4-Bromodiphenyl ether|4-Bromophenoxybenzene|4-bromophenyl phenyl ether|4-Phenoxy-1-bromobenzene|BDE3|Benzene, 1-bromo-4-phenoxy-|Diphenyl ether, 4-bromo-|EC No.: 202-952-4|EINECS 202-952-4|Ether, 4-bromophenyl phenyl|Ether, p-bromophenyl phenyl|NSC 5619|p-(Phenoxy)bromobenzene|p-Bromophenoxybenzene|p-Bromophenyl phenyl ether|p-Phenoxybromobenzene|PBDE 3|PCB 3|Phenyl (4-bromophenyl) ether|Phenyl ether, 4-bromo-|UNII-N19SE3QCFN https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023927
ERPathway2016 ERPathway2016_419 p-Bromodiphenyl ether 101-55-3 DTXSID8023927 ER Pathway Model, Antagonist ACC 41.8508930719666 uM BrC1=CC=C(OC2=CC=CC=C2)C=C1 p-Bromodiphenyl ether 101-55-3|p-Bromodiphenyl ether|1-Bromo-4-phenoxybenzene|202-952-4|4-Bromodiphenyl ether|4-Bromophenoxybenzene|4-bromophenyl phenyl ether|4-Phenoxy-1-bromobenzene|BDE3|Benzene, 1-bromo-4-phenoxy-|Diphenyl ether, 4-bromo-|EC No.: 202-952-4|EINECS 202-952-4|Ether, 4-bromophenyl phenyl|Ether, p-bromophenyl phenyl|NSC 5619|p-(Phenoxy)bromobenzene|p-Bromophenoxybenzene|p-Bromophenyl phenyl ether|p-Phenoxybromobenzene|PBDE 3|PCB 3|Phenyl (4-bromophenyl) ether|Phenyl ether, 4-bromo-|UNII-N19SE3QCFN https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023927
ERPathway2016 ERPathway2016_419 p-Bromodiphenyl ether 101-55-3 DTXSID8023927 ER Pathway Model, Agonist Model Score 0.00744 Unitless BrC1=CC=C(OC2=CC=CC=C2)C=C1 p-Bromodiphenyl ether 101-55-3|p-Bromodiphenyl ether|1-Bromo-4-phenoxybenzene|202-952-4|4-Bromodiphenyl ether|4-Bromophenoxybenzene|4-bromophenyl phenyl ether|4-Phenoxy-1-bromobenzene|BDE3|Benzene, 1-bromo-4-phenoxy-|Diphenyl ether, 4-bromo-|EC No.: 202-952-4|EINECS 202-952-4|Ether, 4-bromophenyl phenyl|Ether, p-bromophenyl phenyl|NSC 5619|p-(Phenoxy)bromobenzene|p-Bromophenoxybenzene|p-Bromophenyl phenyl ether|p-Phenoxybromobenzene|PBDE 3|PCB 3|Phenyl (4-bromophenyl) ether|Phenyl ether, 4-bromo-|UNII-N19SE3QCFN https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023927
ERPathway2016 ERPathway2016_419 p-Bromodiphenyl ether 101-55-3 DTXSID8023927 ER Pathway Model, Antagonist Model Score 0 Unitless BrC1=CC=C(OC2=CC=CC=C2)C=C1 p-Bromodiphenyl ether 101-55-3|p-Bromodiphenyl ether|1-Bromo-4-phenoxybenzene|202-952-4|4-Bromodiphenyl ether|4-Bromophenoxybenzene|4-bromophenyl phenyl ether|4-Phenoxy-1-bromobenzene|BDE3|Benzene, 1-bromo-4-phenoxy-|Diphenyl ether, 4-bromo-|EC No.: 202-952-4|EINECS 202-952-4|Ether, 4-bromophenyl phenyl|Ether, p-bromophenyl phenyl|NSC 5619|p-(Phenoxy)bromobenzene|p-Bromophenoxybenzene|p-Bromophenyl phenyl ether|p-Phenoxybromobenzene|PBDE 3|PCB 3|Phenyl (4-bromophenyl) ether|Phenyl ether, 4-bromo-|UNII-N19SE3QCFN https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023927
ERPathway2016 ERPathway2016_419 p-Bromodiphenyl ether 101-55-3 DTXSID8023927 ER Pathway Model, Agonist Call Inactive Unitless BrC1=CC=C(OC2=CC=CC=C2)C=C1 p-Bromodiphenyl ether 101-55-3|p-Bromodiphenyl ether|1-Bromo-4-phenoxybenzene|202-952-4|4-Bromodiphenyl ether|4-Bromophenoxybenzene|4-bromophenyl phenyl ether|4-Phenoxy-1-bromobenzene|BDE3|Benzene, 1-bromo-4-phenoxy-|Diphenyl ether, 4-bromo-|EC No.: 202-952-4|EINECS 202-952-4|Ether, 4-bromophenyl phenyl|Ether, p-bromophenyl phenyl|NSC 5619|p-(Phenoxy)bromobenzene|p-Bromophenoxybenzene|p-Bromophenyl phenyl ether|p-Phenoxybromobenzene|PBDE 3|PCB 3|Phenyl (4-bromophenyl) ether|Phenyl ether, 4-bromo-|UNII-N19SE3QCFN https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023927
ERPathway2016 ERPathway2016_419 p-Bromodiphenyl ether 101-55-3 DTXSID8023927 ER Pathway Model, Antagonist Call Active Unitless BrC1=CC=C(OC2=CC=CC=C2)C=C1 p-Bromodiphenyl ether 101-55-3|p-Bromodiphenyl ether|1-Bromo-4-phenoxybenzene|202-952-4|4-Bromodiphenyl ether|4-Bromophenoxybenzene|4-bromophenyl phenyl ether|4-Phenoxy-1-bromobenzene|BDE3|Benzene, 1-bromo-4-phenoxy-|Diphenyl ether, 4-bromo-|EC No.: 202-952-4|EINECS 202-952-4|Ether, 4-bromophenyl phenyl|Ether, p-bromophenyl phenyl|NSC 5619|p-(Phenoxy)bromobenzene|p-Bromophenoxybenzene|p-Bromophenyl phenyl ether|p-Phenoxybromobenzene|PBDE 3|PCB 3|Phenyl (4-bromophenyl) ether|Phenyl ether, 4-bromo-|UNII-N19SE3QCFN https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023927
ARPathway2016 ARPathway2016_472 p-Cresol 106-44-5 DTXSID7021869 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(O)C=C1 p-Cresol 106-44-5|p-Cresol|1-Hydroxy-4-methylbenzene|1-Methyl-4-hydroxybenzene|4-(Pentafluorosulfanyl)phenol|4-Cresol|4-Hydroxy-1-methylbenzene|4-Hydroxytoluene|4-Methyl phenol|4-Methyl-phenol|4-Methylphenol|CRESOL, P-|EINECS 203-398-6|FEMA No. 2337|NSC 3696|p-Cresylate|p-Cresylic acid|p-Hydroxytoluene|p-Kresol|p-Methyl phenol|p-Methylhydroxybenzene|p-Methylphenol|p-Oxytoluene|p-Toluol|p-Tolyl alcohol|para-Cresol|para-Cresylic acid|para-Hydroxytoluene|paracresol|Paramethyl phenol|Phenol, 4-methyl-|UN 2076|UN 2076 (DOT)|UNII-1MXY2UM8NV https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021869 https://doi.org/10.22427/NTP-DATA-DTXSID7021869
ARPathway2016 ARPathway2016_472 p-Cresol 106-44-5 DTXSID7021869 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(O)C=C1 p-Cresol 106-44-5|p-Cresol|1-Hydroxy-4-methylbenzene|1-Methyl-4-hydroxybenzene|4-(Pentafluorosulfanyl)phenol|4-Cresol|4-Hydroxy-1-methylbenzene|4-Hydroxytoluene|4-Methyl phenol|4-Methyl-phenol|4-Methylphenol|CRESOL, P-|EINECS 203-398-6|FEMA No. 2337|NSC 3696|p-Cresylate|p-Cresylic acid|p-Hydroxytoluene|p-Kresol|p-Methyl phenol|p-Methylhydroxybenzene|p-Methylphenol|p-Oxytoluene|p-Toluol|p-Tolyl alcohol|para-Cresol|para-Cresylic acid|para-Hydroxytoluene|paracresol|Paramethyl phenol|Phenol, 4-methyl-|UN 2076|UN 2076 (DOT)|UNII-1MXY2UM8NV https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021869 https://doi.org/10.22427/NTP-DATA-DTXSID7021869
ARPathway2016 ARPathway2016_472 p-Cresol 106-44-5 DTXSID7021869 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(O)C=C1 p-Cresol 106-44-5|p-Cresol|1-Hydroxy-4-methylbenzene|1-Methyl-4-hydroxybenzene|4-(Pentafluorosulfanyl)phenol|4-Cresol|4-Hydroxy-1-methylbenzene|4-Hydroxytoluene|4-Methyl phenol|4-Methyl-phenol|4-Methylphenol|CRESOL, P-|EINECS 203-398-6|FEMA No. 2337|NSC 3696|p-Cresylate|p-Cresylic acid|p-Hydroxytoluene|p-Kresol|p-Methyl phenol|p-Methylhydroxybenzene|p-Methylphenol|p-Oxytoluene|p-Toluol|p-Tolyl alcohol|para-Cresol|para-Cresylic acid|para-Hydroxytoluene|paracresol|Paramethyl phenol|Phenol, 4-methyl-|UN 2076|UN 2076 (DOT)|UNII-1MXY2UM8NV https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021869 https://doi.org/10.22427/NTP-DATA-DTXSID7021869
ARPathway2016 ARPathway2016_472 p-Cresol 106-44-5 DTXSID7021869 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(O)C=C1 p-Cresol 106-44-5|p-Cresol|1-Hydroxy-4-methylbenzene|1-Methyl-4-hydroxybenzene|4-(Pentafluorosulfanyl)phenol|4-Cresol|4-Hydroxy-1-methylbenzene|4-Hydroxytoluene|4-Methyl phenol|4-Methyl-phenol|4-Methylphenol|CRESOL, P-|EINECS 203-398-6|FEMA No. 2337|NSC 3696|p-Cresylate|p-Cresylic acid|p-Hydroxytoluene|p-Kresol|p-Methyl phenol|p-Methylhydroxybenzene|p-Methylphenol|p-Oxytoluene|p-Toluol|p-Tolyl alcohol|para-Cresol|para-Cresylic acid|para-Hydroxytoluene|paracresol|Paramethyl phenol|Phenol, 4-methyl-|UN 2076|UN 2076 (DOT)|UNII-1MXY2UM8NV https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021869 https://doi.org/10.22427/NTP-DATA-DTXSID7021869
ERPathway2016 ERPathway2016_1087 p-Cresol 106-44-5 DTXSID7021869 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(O)C=C1 p-Cresol 106-44-5|p-Cresol|1-Hydroxy-4-methylbenzene|1-Methyl-4-hydroxybenzene|4-(Pentafluorosulfanyl)phenol|4-Cresol|4-Hydroxy-1-methylbenzene|4-Hydroxytoluene|4-Methyl phenol|4-Methyl-phenol|4-Methylphenol|CRESOL, P-|EINECS 203-398-6|FEMA No. 2337|NSC 3696|p-Cresylate|p-Cresylic acid|p-Hydroxytoluene|p-Kresol|p-Methyl phenol|p-Methylhydroxybenzene|p-Methylphenol|p-Oxytoluene|p-Toluol|p-Tolyl alcohol|para-Cresol|para-Cresylic acid|para-Hydroxytoluene|paracresol|Paramethyl phenol|Phenol, 4-methyl-|UN 2076|UN 2076 (DOT)|UNII-1MXY2UM8NV https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021869 https://doi.org/10.22427/NTP-DATA-DTXSID7021869
ERPathway2016 ERPathway2016_1087 p-Cresol 106-44-5 DTXSID7021869 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(O)C=C1 p-Cresol 106-44-5|p-Cresol|1-Hydroxy-4-methylbenzene|1-Methyl-4-hydroxybenzene|4-(Pentafluorosulfanyl)phenol|4-Cresol|4-Hydroxy-1-methylbenzene|4-Hydroxytoluene|4-Methyl phenol|4-Methyl-phenol|4-Methylphenol|CRESOL, P-|EINECS 203-398-6|FEMA No. 2337|NSC 3696|p-Cresylate|p-Cresylic acid|p-Hydroxytoluene|p-Kresol|p-Methyl phenol|p-Methylhydroxybenzene|p-Methylphenol|p-Oxytoluene|p-Toluol|p-Tolyl alcohol|para-Cresol|para-Cresylic acid|para-Hydroxytoluene|paracresol|Paramethyl phenol|Phenol, 4-methyl-|UN 2076|UN 2076 (DOT)|UNII-1MXY2UM8NV https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021869 https://doi.org/10.22427/NTP-DATA-DTXSID7021869
ERPathway2016 ERPathway2016_1087 p-Cresol 106-44-5 DTXSID7021869 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(O)C=C1 p-Cresol 106-44-5|p-Cresol|1-Hydroxy-4-methylbenzene|1-Methyl-4-hydroxybenzene|4-(Pentafluorosulfanyl)phenol|4-Cresol|4-Hydroxy-1-methylbenzene|4-Hydroxytoluene|4-Methyl phenol|4-Methyl-phenol|4-Methylphenol|CRESOL, P-|EINECS 203-398-6|FEMA No. 2337|NSC 3696|p-Cresylate|p-Cresylic acid|p-Hydroxytoluene|p-Kresol|p-Methyl phenol|p-Methylhydroxybenzene|p-Methylphenol|p-Oxytoluene|p-Toluol|p-Tolyl alcohol|para-Cresol|para-Cresylic acid|para-Hydroxytoluene|paracresol|Paramethyl phenol|Phenol, 4-methyl-|UN 2076|UN 2076 (DOT)|UNII-1MXY2UM8NV https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021869 https://doi.org/10.22427/NTP-DATA-DTXSID7021869
ERPathway2016 ERPathway2016_1087 p-Cresol 106-44-5 DTXSID7021869 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(O)C=C1 p-Cresol 106-44-5|p-Cresol|1-Hydroxy-4-methylbenzene|1-Methyl-4-hydroxybenzene|4-(Pentafluorosulfanyl)phenol|4-Cresol|4-Hydroxy-1-methylbenzene|4-Hydroxytoluene|4-Methyl phenol|4-Methyl-phenol|4-Methylphenol|CRESOL, P-|EINECS 203-398-6|FEMA No. 2337|NSC 3696|p-Cresylate|p-Cresylic acid|p-Hydroxytoluene|p-Kresol|p-Methyl phenol|p-Methylhydroxybenzene|p-Methylphenol|p-Oxytoluene|p-Toluol|p-Tolyl alcohol|para-Cresol|para-Cresylic acid|para-Hydroxytoluene|paracresol|Paramethyl phenol|Phenol, 4-methyl-|UN 2076|UN 2076 (DOT)|UNII-1MXY2UM8NV https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021869 https://doi.org/10.22427/NTP-DATA-DTXSID7021869
ARPathway2016 ARPathway2016_1826 p-Cymene 99-87-6 DTXSID3026645 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC=C(C)C=C1 p-Cymene 99-87-6|p-Cymene|1-isopropyl-4-methyl-benzene|1-isopropyl-4-methylbenzene|1-Methyl-4-(1-methylethyl)-benzene|1-Methyl-4-(1-methylethyl)benzene|1-methyl-4-(propan-2-yl)benzene|1-Methyl-4-isopropylbenzene|1-methyl-4-propan-2-yl-benzene|1-methyl-4-propan-2-ylbenzene|2-p-Tolylpropane|4-cymene|4-Isopropyl-1-methylbenzene|4-Isopropyltoluene|4-Isopropyltoluol|4-Methyl-1-isopropylbenzene|4-Methylisopropylbenzene|Benzene, 1-isopropyl-4-methyl-|Benzene, 1-methyl-4-(1-methylethyl)-|Camphogen|Cumene, p-methyl-|Cymene|Dolcymene|EINECS 202-796-7|FEMA No. 2356|Isopropyltoluene|NSC 4162|p-cimene|p-cimeno|p-Cymol|p-Isopropylmethylbenzene|p-Isopropyltoluene|P-Methyl cumene|p-Methylcumene|p-Methylisopropylbenzene|Para-cymene|Paracymene|Paracymol|TOLUENE, 4-(1-METHYLETHYL)-|UN 2046|UNII-1G1C8T1N7Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026645
ARPathway2016 ARPathway2016_1826 p-Cymene 99-87-6 DTXSID3026645 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CC=C(C)C=C1 p-Cymene 99-87-6|p-Cymene|1-isopropyl-4-methyl-benzene|1-isopropyl-4-methylbenzene|1-Methyl-4-(1-methylethyl)-benzene|1-Methyl-4-(1-methylethyl)benzene|1-methyl-4-(propan-2-yl)benzene|1-Methyl-4-isopropylbenzene|1-methyl-4-propan-2-yl-benzene|1-methyl-4-propan-2-ylbenzene|2-p-Tolylpropane|4-cymene|4-Isopropyl-1-methylbenzene|4-Isopropyltoluene|4-Isopropyltoluol|4-Methyl-1-isopropylbenzene|4-Methylisopropylbenzene|Benzene, 1-isopropyl-4-methyl-|Benzene, 1-methyl-4-(1-methylethyl)-|Camphogen|Cumene, p-methyl-|Cymene|Dolcymene|EINECS 202-796-7|FEMA No. 2356|Isopropyltoluene|NSC 4162|p-cimene|p-cimeno|p-Cymol|p-Isopropylmethylbenzene|p-Isopropyltoluene|P-Methyl cumene|p-Methylcumene|p-Methylisopropylbenzene|Para-cymene|Paracymene|Paracymol|TOLUENE, 4-(1-METHYLETHYL)-|UN 2046|UNII-1G1C8T1N7Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026645
ARPathway2016 ARPathway2016_1826 p-Cymene 99-87-6 DTXSID3026645 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC=C(C)C=C1 p-Cymene 99-87-6|p-Cymene|1-isopropyl-4-methyl-benzene|1-isopropyl-4-methylbenzene|1-Methyl-4-(1-methylethyl)-benzene|1-Methyl-4-(1-methylethyl)benzene|1-methyl-4-(propan-2-yl)benzene|1-Methyl-4-isopropylbenzene|1-methyl-4-propan-2-yl-benzene|1-methyl-4-propan-2-ylbenzene|2-p-Tolylpropane|4-cymene|4-Isopropyl-1-methylbenzene|4-Isopropyltoluene|4-Isopropyltoluol|4-Methyl-1-isopropylbenzene|4-Methylisopropylbenzene|Benzene, 1-isopropyl-4-methyl-|Benzene, 1-methyl-4-(1-methylethyl)-|Camphogen|Cumene, p-methyl-|Cymene|Dolcymene|EINECS 202-796-7|FEMA No. 2356|Isopropyltoluene|NSC 4162|p-cimene|p-cimeno|p-Cymol|p-Isopropylmethylbenzene|p-Isopropyltoluene|P-Methyl cumene|p-Methylcumene|p-Methylisopropylbenzene|Para-cymene|Paracymene|Paracymol|TOLUENE, 4-(1-METHYLETHYL)-|UN 2046|UNII-1G1C8T1N7Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026645
ARPathway2016 ARPathway2016_1826 p-Cymene 99-87-6 DTXSID3026645 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC=C(C)C=C1 p-Cymene 99-87-6|p-Cymene|1-isopropyl-4-methyl-benzene|1-isopropyl-4-methylbenzene|1-Methyl-4-(1-methylethyl)-benzene|1-Methyl-4-(1-methylethyl)benzene|1-methyl-4-(propan-2-yl)benzene|1-Methyl-4-isopropylbenzene|1-methyl-4-propan-2-yl-benzene|1-methyl-4-propan-2-ylbenzene|2-p-Tolylpropane|4-cymene|4-Isopropyl-1-methylbenzene|4-Isopropyltoluene|4-Isopropyltoluol|4-Methyl-1-isopropylbenzene|4-Methylisopropylbenzene|Benzene, 1-isopropyl-4-methyl-|Benzene, 1-methyl-4-(1-methylethyl)-|Camphogen|Cumene, p-methyl-|Cymene|Dolcymene|EINECS 202-796-7|FEMA No. 2356|Isopropyltoluene|NSC 4162|p-cimene|p-cimeno|p-Cymol|p-Isopropylmethylbenzene|p-Isopropyltoluene|P-Methyl cumene|p-Methylcumene|p-Methylisopropylbenzene|Para-cymene|Paracymene|Paracymol|TOLUENE, 4-(1-METHYLETHYL)-|UN 2046|UNII-1G1C8T1N7Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026645
ERPathway2016 ERPathway2016_1802 p-Cymene 99-87-6 DTXSID3026645 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CC=C(C)C=C1 p-Cymene 99-87-6|p-Cymene|1-isopropyl-4-methyl-benzene|1-isopropyl-4-methylbenzene|1-Methyl-4-(1-methylethyl)-benzene|1-Methyl-4-(1-methylethyl)benzene|1-methyl-4-(propan-2-yl)benzene|1-Methyl-4-isopropylbenzene|1-methyl-4-propan-2-yl-benzene|1-methyl-4-propan-2-ylbenzene|2-p-Tolylpropane|4-cymene|4-Isopropyl-1-methylbenzene|4-Isopropyltoluene|4-Isopropyltoluol|4-Methyl-1-isopropylbenzene|4-Methylisopropylbenzene|Benzene, 1-isopropyl-4-methyl-|Benzene, 1-methyl-4-(1-methylethyl)-|Camphogen|Cumene, p-methyl-|Cymene|Dolcymene|EINECS 202-796-7|FEMA No. 2356|Isopropyltoluene|NSC 4162|p-cimene|p-cimeno|p-Cymol|p-Isopropylmethylbenzene|p-Isopropyltoluene|P-Methyl cumene|p-Methylcumene|p-Methylisopropylbenzene|Para-cymene|Paracymene|Paracymol|TOLUENE, 4-(1-METHYLETHYL)-|UN 2046|UNII-1G1C8T1N7Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026645
ERPathway2016 ERPathway2016_1802 p-Cymene 99-87-6 DTXSID3026645 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC=C(C)C=C1 p-Cymene 99-87-6|p-Cymene|1-isopropyl-4-methyl-benzene|1-isopropyl-4-methylbenzene|1-Methyl-4-(1-methylethyl)-benzene|1-Methyl-4-(1-methylethyl)benzene|1-methyl-4-(propan-2-yl)benzene|1-Methyl-4-isopropylbenzene|1-methyl-4-propan-2-yl-benzene|1-methyl-4-propan-2-ylbenzene|2-p-Tolylpropane|4-cymene|4-Isopropyl-1-methylbenzene|4-Isopropyltoluene|4-Isopropyltoluol|4-Methyl-1-isopropylbenzene|4-Methylisopropylbenzene|Benzene, 1-isopropyl-4-methyl-|Benzene, 1-methyl-4-(1-methylethyl)-|Camphogen|Cumene, p-methyl-|Cymene|Dolcymene|EINECS 202-796-7|FEMA No. 2356|Isopropyltoluene|NSC 4162|p-cimene|p-cimeno|p-Cymol|p-Isopropylmethylbenzene|p-Isopropyltoluene|P-Methyl cumene|p-Methylcumene|p-Methylisopropylbenzene|Para-cymene|Paracymene|Paracymol|TOLUENE, 4-(1-METHYLETHYL)-|UN 2046|UNII-1G1C8T1N7Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026645
ERPathway2016 ERPathway2016_1802 p-Cymene 99-87-6 DTXSID3026645 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC=C(C)C=C1 p-Cymene 99-87-6|p-Cymene|1-isopropyl-4-methyl-benzene|1-isopropyl-4-methylbenzene|1-Methyl-4-(1-methylethyl)-benzene|1-Methyl-4-(1-methylethyl)benzene|1-methyl-4-(propan-2-yl)benzene|1-Methyl-4-isopropylbenzene|1-methyl-4-propan-2-yl-benzene|1-methyl-4-propan-2-ylbenzene|2-p-Tolylpropane|4-cymene|4-Isopropyl-1-methylbenzene|4-Isopropyltoluene|4-Isopropyltoluol|4-Methyl-1-isopropylbenzene|4-Methylisopropylbenzene|Benzene, 1-isopropyl-4-methyl-|Benzene, 1-methyl-4-(1-methylethyl)-|Camphogen|Cumene, p-methyl-|Cymene|Dolcymene|EINECS 202-796-7|FEMA No. 2356|Isopropyltoluene|NSC 4162|p-cimene|p-cimeno|p-Cymol|p-Isopropylmethylbenzene|p-Isopropyltoluene|P-Methyl cumene|p-Methylcumene|p-Methylisopropylbenzene|Para-cymene|Paracymene|Paracymol|TOLUENE, 4-(1-METHYLETHYL)-|UN 2046|UNII-1G1C8T1N7Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026645
ERPathway2016 ERPathway2016_1802 p-Cymene 99-87-6 DTXSID3026645 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC=C(C)C=C1 p-Cymene 99-87-6|p-Cymene|1-isopropyl-4-methyl-benzene|1-isopropyl-4-methylbenzene|1-Methyl-4-(1-methylethyl)-benzene|1-Methyl-4-(1-methylethyl)benzene|1-methyl-4-(propan-2-yl)benzene|1-Methyl-4-isopropylbenzene|1-methyl-4-propan-2-yl-benzene|1-methyl-4-propan-2-ylbenzene|2-p-Tolylpropane|4-cymene|4-Isopropyl-1-methylbenzene|4-Isopropyltoluene|4-Isopropyltoluol|4-Methyl-1-isopropylbenzene|4-Methylisopropylbenzene|Benzene, 1-isopropyl-4-methyl-|Benzene, 1-methyl-4-(1-methylethyl)-|Camphogen|Cumene, p-methyl-|Cymene|Dolcymene|EINECS 202-796-7|FEMA No. 2356|Isopropyltoluene|NSC 4162|p-cimene|p-cimeno|p-Cymol|p-Isopropylmethylbenzene|p-Isopropyltoluene|P-Methyl cumene|p-Methylcumene|p-Methylisopropylbenzene|Para-cymene|Paracymene|Paracymol|TOLUENE, 4-(1-METHYLETHYL)-|UN 2046|UNII-1G1C8T1N7Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026645
ARPathway2016 ARPathway2016_247 PD 0343701 676116-04-4 DTXSID7047271 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 12.7226690628841 uM CS(O)(=O)=O.CC1=CC(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)=CC2=C1NC(=O)CC2(C)C PD 0343701 676116-04-4|PD 0343701|6-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-4,4,8-trimethyl-3,4-dihydroquinolin-2(1H)-one methanesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047271
ARPathway2016 ARPathway2016_247 PD 0343701 676116-04-4 DTXSID7047271 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 8.63764268658177 uM CS(O)(=O)=O.CC1=CC(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)=CC2=C1NC(=O)CC2(C)C PD 0343701 676116-04-4|PD 0343701|6-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-4,4,8-trimethyl-3,4-dihydroquinolin-2(1H)-one methanesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047271
ARPathway2016 ARPathway2016_247 PD 0343701 676116-04-4 DTXSID7047271 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.243 Unitless CS(O)(=O)=O.CC1=CC(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)=CC2=C1NC(=O)CC2(C)C PD 0343701 676116-04-4|PD 0343701|6-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-4,4,8-trimethyl-3,4-dihydroquinolin-2(1H)-one methanesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047271
ARPathway2016 ARPathway2016_247 PD 0343701 676116-04-4 DTXSID7047271 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CS(O)(=O)=O.CC1=CC(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)=CC2=C1NC(=O)CC2(C)C PD 0343701 676116-04-4|PD 0343701|6-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-4,4,8-trimethyl-3,4-dihydroquinolin-2(1H)-one methanesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047271
ARPathway2016 ARPathway2016_247 PD 0343701 676116-04-4 DTXSID7047271 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CS(O)(=O)=O.CC1=CC(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)=CC2=C1NC(=O)CC2(C)C PD 0343701 676116-04-4|PD 0343701|6-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-4,4,8-trimethyl-3,4-dihydroquinolin-2(1H)-one methanesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047271
ARPathway2016 ARPathway2016_247 PD 0343701 676116-04-4 DTXSID7047271 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CS(O)(=O)=O.CC1=CC(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)=CC2=C1NC(=O)CC2(C)C PD 0343701 676116-04-4|PD 0343701|6-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-4,4,8-trimethyl-3,4-dihydroquinolin-2(1H)-one methanesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047271
ERPathway2016 ERPathway2016_80 PD 0343701 676116-04-4 DTXSID7047271 ER Pathway Model, Agonist AC50 24.9445028859484 uM CS(O)(=O)=O.CC1=CC(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)=CC2=C1NC(=O)CC2(C)C PD 0343701 676116-04-4|PD 0343701|6-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-4,4,8-trimethyl-3,4-dihydroquinolin-2(1H)-one methanesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047271
ERPathway2016 ERPathway2016_80 PD 0343701 676116-04-4 DTXSID7047271 ER Pathway Model, Agonist ACC 23.5397700641361 uM CS(O)(=O)=O.CC1=CC(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)=CC2=C1NC(=O)CC2(C)C PD 0343701 676116-04-4|PD 0343701|6-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-4,4,8-trimethyl-3,4-dihydroquinolin-2(1H)-one methanesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047271
ERPathway2016 ERPathway2016_80 PD 0343701 676116-04-4 DTXSID7047271 ER Pathway Model, Agonist Model Score 0 Unitless CS(O)(=O)=O.CC1=CC(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)=CC2=C1NC(=O)CC2(C)C PD 0343701 676116-04-4|PD 0343701|6-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-4,4,8-trimethyl-3,4-dihydroquinolin-2(1H)-one methanesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047271
ERPathway2016 ERPathway2016_80 PD 0343701 676116-04-4 DTXSID7047271 ER Pathway Model, Antagonist Model Score 0.0799 Unitless CS(O)(=O)=O.CC1=CC(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)=CC2=C1NC(=O)CC2(C)C PD 0343701 676116-04-4|PD 0343701|6-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-4,4,8-trimethyl-3,4-dihydroquinolin-2(1H)-one methanesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047271
ERPathway2016 ERPathway2016_80 PD 0343701 676116-04-4 DTXSID7047271 ER Pathway Model, Agonist Call Active Unitless CS(O)(=O)=O.CC1=CC(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)=CC2=C1NC(=O)CC2(C)C PD 0343701 676116-04-4|PD 0343701|6-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-4,4,8-trimethyl-3,4-dihydroquinolin-2(1H)-one methanesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047271
ERPathway2016 ERPathway2016_80 PD 0343701 676116-04-4 DTXSID7047271 ER Pathway Model, Antagonist Call Inactive Unitless CS(O)(=O)=O.CC1=CC(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)=CC2=C1NC(=O)CC2(C)C PD 0343701 676116-04-4|PD 0343701|6-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-4,4,8-trimethyl-3,4-dihydroquinolin-2(1H)-one methanesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047271
ARPathway2016 ARPathway2016_1242 PD-0333941 501027-49-2 DTXSID2047307 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(CCOC2=CC=CC3=C2C=CN3CCC(O)=O)N=C(O1)C1=CC=CC=C1 PD-0333941 501027-49-2|PD-0333941|3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1H-indol-1-yl}propanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047307
ARPathway2016 ARPathway2016_1242 PD-0333941 501027-49-2 DTXSID2047307 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(CCOC2=CC=CC3=C2C=CN3CCC(O)=O)N=C(O1)C1=CC=CC=C1 PD-0333941 501027-49-2|PD-0333941|3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1H-indol-1-yl}propanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047307
ARPathway2016 ARPathway2016_1242 PD-0333941 501027-49-2 DTXSID2047307 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(CCOC2=CC=CC3=C2C=CN3CCC(O)=O)N=C(O1)C1=CC=CC=C1 PD-0333941 501027-49-2|PD-0333941|3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1H-indol-1-yl}propanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047307
ARPathway2016 ARPathway2016_1242 PD-0333941 501027-49-2 DTXSID2047307 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(CCOC2=CC=CC3=C2C=CN3CCC(O)=O)N=C(O1)C1=CC=CC=C1 PD-0333941 501027-49-2|PD-0333941|3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1H-indol-1-yl}propanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047307
ERPathway2016 ERPathway2016_724 PD-0333941 501027-49-2 DTXSID2047307 A13 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(CCOC2=CC=CC3=C2C=CN3CCC(O)=O)N=C(O1)C1=CC=CC=C1 PD-0333941 501027-49-2|PD-0333941|3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1H-indol-1-yl}propanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047307
ERPathway2016 ERPathway2016_724 PD-0333941 501027-49-2 DTXSID2047307 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(CCOC2=CC=CC3=C2C=CN3CCC(O)=O)N=C(O1)C1=CC=CC=C1 PD-0333941 501027-49-2|PD-0333941|3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1H-indol-1-yl}propanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047307
ERPathway2016 ERPathway2016_724 PD-0333941 501027-49-2 DTXSID2047307 A13 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(CCOC2=CC=CC3=C2C=CN3CCC(O)=O)N=C(O1)C1=CC=CC=C1 PD-0333941 501027-49-2|PD-0333941|3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1H-indol-1-yl}propanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047307
ERPathway2016 ERPathway2016_724 PD-0333941 501027-49-2 DTXSID2047307 A13 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(CCOC2=CC=CC3=C2C=CN3CCC(O)=O)N=C(O1)C1=CC=CC=C1 PD-0333941 501027-49-2|PD-0333941|3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1H-indol-1-yl}propanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047307
ARPathway2016 ARPathway2016_570 Pebulate 1114-71-2 DTXSID8021199 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCN(CC)C(=O)SCCC Pebulate 1114-71-2|Pebulate|BRN 1933846|Butylethylthiocarbamic acid S-propyl ester|Caswell No. 710|EINECS 214-215-4|EPA Pesticide Chemical Code 041403|n-Propyl-N-ethyl-N-(n-butyl)thiolcarbamate|Propyl ethylbutylthiocarbamate|Propyl ethylbutylthiolcarbamate|Propyl N-ethyl-N-butylthiocarbamate|Propyl-ethylbutylthiocarbamate|Propylethyl-n-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-n-butylthiocarbamate|S-Propyl butylethylcarbamothioate|S-Propyl butylethylthiocarbamate|S-Propyl-N-aethyl-N-butyl-thiocarbamat|Stauffer R-2061|UNII-T1ECE7S074 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021199
ARPathway2016 ARPathway2016_570 Pebulate 1114-71-2 DTXSID8021199 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCN(CC)C(=O)SCCC Pebulate 1114-71-2|Pebulate|BRN 1933846|Butylethylthiocarbamic acid S-propyl ester|Caswell No. 710|EINECS 214-215-4|EPA Pesticide Chemical Code 041403|n-Propyl-N-ethyl-N-(n-butyl)thiolcarbamate|Propyl ethylbutylthiocarbamate|Propyl ethylbutylthiolcarbamate|Propyl N-ethyl-N-butylthiocarbamate|Propyl-ethylbutylthiocarbamate|Propylethyl-n-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-n-butylthiocarbamate|S-Propyl butylethylcarbamothioate|S-Propyl butylethylthiocarbamate|S-Propyl-N-aethyl-N-butyl-thiocarbamat|Stauffer R-2061|UNII-T1ECE7S074 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021199
ARPathway2016 ARPathway2016_570 Pebulate 1114-71-2 DTXSID8021199 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCN(CC)C(=O)SCCC Pebulate 1114-71-2|Pebulate|BRN 1933846|Butylethylthiocarbamic acid S-propyl ester|Caswell No. 710|EINECS 214-215-4|EPA Pesticide Chemical Code 041403|n-Propyl-N-ethyl-N-(n-butyl)thiolcarbamate|Propyl ethylbutylthiocarbamate|Propyl ethylbutylthiolcarbamate|Propyl N-ethyl-N-butylthiocarbamate|Propyl-ethylbutylthiocarbamate|Propylethyl-n-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-n-butylthiocarbamate|S-Propyl butylethylcarbamothioate|S-Propyl butylethylthiocarbamate|S-Propyl-N-aethyl-N-butyl-thiocarbamat|Stauffer R-2061|UNII-T1ECE7S074 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021199
ARPathway2016 ARPathway2016_570 Pebulate 1114-71-2 DTXSID8021199 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCN(CC)C(=O)SCCC Pebulate 1114-71-2|Pebulate|BRN 1933846|Butylethylthiocarbamic acid S-propyl ester|Caswell No. 710|EINECS 214-215-4|EPA Pesticide Chemical Code 041403|n-Propyl-N-ethyl-N-(n-butyl)thiolcarbamate|Propyl ethylbutylthiocarbamate|Propyl ethylbutylthiolcarbamate|Propyl N-ethyl-N-butylthiocarbamate|Propyl-ethylbutylthiocarbamate|Propylethyl-n-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-n-butylthiocarbamate|S-Propyl butylethylcarbamothioate|S-Propyl butylethylthiocarbamate|S-Propyl-N-aethyl-N-butyl-thiocarbamat|Stauffer R-2061|UNII-T1ECE7S074 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021199
ERPathway2016 ERPathway2016_456 Pebulate 1114-71-2 DTXSID8021199 A2 ER Pathway Model, Antagonist AC50 3.42014227662326 uM CCCCN(CC)C(=O)SCCC Pebulate 1114-71-2|Pebulate|BRN 1933846|Butylethylthiocarbamic acid S-propyl ester|Caswell No. 710|EINECS 214-215-4|EPA Pesticide Chemical Code 041403|n-Propyl-N-ethyl-N-(n-butyl)thiolcarbamate|Propyl ethylbutylthiocarbamate|Propyl ethylbutylthiolcarbamate|Propyl N-ethyl-N-butylthiocarbamate|Propyl-ethylbutylthiocarbamate|Propylethyl-n-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-n-butylthiocarbamate|S-Propyl butylethylcarbamothioate|S-Propyl butylethylthiocarbamate|S-Propyl-N-aethyl-N-butyl-thiocarbamat|Stauffer R-2061|UNII-T1ECE7S074 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021199
ERPathway2016 ERPathway2016_456 Pebulate 1114-71-2 DTXSID8021199 A2 ER Pathway Model, Antagonist ACC 1.27988436457528 uM CCCCN(CC)C(=O)SCCC Pebulate 1114-71-2|Pebulate|BRN 1933846|Butylethylthiocarbamic acid S-propyl ester|Caswell No. 710|EINECS 214-215-4|EPA Pesticide Chemical Code 041403|n-Propyl-N-ethyl-N-(n-butyl)thiolcarbamate|Propyl ethylbutylthiocarbamate|Propyl ethylbutylthiolcarbamate|Propyl N-ethyl-N-butylthiocarbamate|Propyl-ethylbutylthiocarbamate|Propylethyl-n-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-n-butylthiocarbamate|S-Propyl butylethylcarbamothioate|S-Propyl butylethylthiocarbamate|S-Propyl-N-aethyl-N-butyl-thiocarbamat|Stauffer R-2061|UNII-T1ECE7S074 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021199
ERPathway2016 ERPathway2016_456 Pebulate 1114-71-2 DTXSID8021199 A2 ER Pathway Model, Agonist Model Score 0.00391 Unitless CCCCN(CC)C(=O)SCCC Pebulate 1114-71-2|Pebulate|BRN 1933846|Butylethylthiocarbamic acid S-propyl ester|Caswell No. 710|EINECS 214-215-4|EPA Pesticide Chemical Code 041403|n-Propyl-N-ethyl-N-(n-butyl)thiolcarbamate|Propyl ethylbutylthiocarbamate|Propyl ethylbutylthiolcarbamate|Propyl N-ethyl-N-butylthiocarbamate|Propyl-ethylbutylthiocarbamate|Propylethyl-n-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-n-butylthiocarbamate|S-Propyl butylethylcarbamothioate|S-Propyl butylethylthiocarbamate|S-Propyl-N-aethyl-N-butyl-thiocarbamat|Stauffer R-2061|UNII-T1ECE7S074 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021199
ERPathway2016 ERPathway2016_456 Pebulate 1114-71-2 DTXSID8021199 A2 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCN(CC)C(=O)SCCC Pebulate 1114-71-2|Pebulate|BRN 1933846|Butylethylthiocarbamic acid S-propyl ester|Caswell No. 710|EINECS 214-215-4|EPA Pesticide Chemical Code 041403|n-Propyl-N-ethyl-N-(n-butyl)thiolcarbamate|Propyl ethylbutylthiocarbamate|Propyl ethylbutylthiolcarbamate|Propyl N-ethyl-N-butylthiocarbamate|Propyl-ethylbutylthiocarbamate|Propylethyl-n-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-n-butylthiocarbamate|S-Propyl butylethylcarbamothioate|S-Propyl butylethylthiocarbamate|S-Propyl-N-aethyl-N-butyl-thiocarbamat|Stauffer R-2061|UNII-T1ECE7S074 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021199
ERPathway2016 ERPathway2016_456 Pebulate 1114-71-2 DTXSID8021199 A2 ER Pathway Model, Agonist Call Inactive Unitless CCCCN(CC)C(=O)SCCC Pebulate 1114-71-2|Pebulate|BRN 1933846|Butylethylthiocarbamic acid S-propyl ester|Caswell No. 710|EINECS 214-215-4|EPA Pesticide Chemical Code 041403|n-Propyl-N-ethyl-N-(n-butyl)thiolcarbamate|Propyl ethylbutylthiocarbamate|Propyl ethylbutylthiolcarbamate|Propyl N-ethyl-N-butylthiocarbamate|Propyl-ethylbutylthiocarbamate|Propylethyl-n-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-n-butylthiocarbamate|S-Propyl butylethylcarbamothioate|S-Propyl butylethylthiocarbamate|S-Propyl-N-aethyl-N-butyl-thiocarbamat|Stauffer R-2061|UNII-T1ECE7S074 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021199
ERPathway2016 ERPathway2016_456 Pebulate 1114-71-2 DTXSID8021199 A2 ER Pathway Model, Antagonist Call Active Unitless CCCCN(CC)C(=O)SCCC Pebulate 1114-71-2|Pebulate|BRN 1933846|Butylethylthiocarbamic acid S-propyl ester|Caswell No. 710|EINECS 214-215-4|EPA Pesticide Chemical Code 041403|n-Propyl-N-ethyl-N-(n-butyl)thiolcarbamate|Propyl ethylbutylthiocarbamate|Propyl ethylbutylthiolcarbamate|Propyl N-ethyl-N-butylthiocarbamate|Propyl-ethylbutylthiocarbamate|Propylethyl-n-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-butylthiocarbamate|S-(n-Propyl)-N-ethyl-N-n-butylthiocarbamate|S-Propyl butylethylcarbamothioate|S-Propyl butylethylthiocarbamate|S-Propyl-N-aethyl-N-butyl-thiocarbamat|Stauffer R-2061|UNII-T1ECE7S074 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021199
ARPathway2016 ARPathway2016_170 Pendimethalin 40487-42-1 DTXSID7024245 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 30.28279078 uM CCC(CC)NC1=C(C=C(C)C(C)=C1[N+]([O-])=O)[N+]([O-])=O Pendimethalin 40487-42-1|Pendimethalin|3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline|3,4-Dimethyl-2,6-dinitro-N-(1'-ethylpropyl)aniline|3,4-Xylidine, 2,6-dinitro-N-(1-ethylpropyl)-|AC 92553|Accotab|BAS 455 H|Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-|Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-|BRN 2157711|Caswell No. 454BB|CL 92,553|CL 92553|EINECS 254-938-2|EPA Pesticide Chemical Code 108501|Go-Go-San|Herbadox|N-(1-Aethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-Aethylpropyl)-3,4-dimethyl-2,6-dinitroanilin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidene|N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidine|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine|N-(1-etilpropil)-2,6-dinitro-3,4-xilidina|N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline|Pendimax|Pendimethaline|Pendulum|Penoxalin|Penoxaline|Penoxyn|Phenoxalin|Prowl|Sipaxol|Southern Weed Grass Control|Tendimethalin|UNII-VL6L14C06U|155421-40-2|39336-60-2|64667-17-0|64719-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024245
ARPathway2016 ARPathway2016_170 Pendimethalin 40487-42-1 DTXSID7024245 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 34.22726451 uM CCC(CC)NC1=C(C=C(C)C(C)=C1[N+]([O-])=O)[N+]([O-])=O Pendimethalin 40487-42-1|Pendimethalin|3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline|3,4-Dimethyl-2,6-dinitro-N-(1'-ethylpropyl)aniline|3,4-Xylidine, 2,6-dinitro-N-(1-ethylpropyl)-|AC 92553|Accotab|BAS 455 H|Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-|Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-|BRN 2157711|Caswell No. 454BB|CL 92,553|CL 92553|EINECS 254-938-2|EPA Pesticide Chemical Code 108501|Go-Go-San|Herbadox|N-(1-Aethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-Aethylpropyl)-3,4-dimethyl-2,6-dinitroanilin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidene|N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidine|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine|N-(1-etilpropil)-2,6-dinitro-3,4-xilidina|N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline|Pendimax|Pendimethaline|Pendulum|Penoxalin|Penoxaline|Penoxyn|Phenoxalin|Prowl|Sipaxol|Southern Weed Grass Control|Tendimethalin|UNII-VL6L14C06U|155421-40-2|39336-60-2|64667-17-0|64719-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024245
ARPathway2016 ARPathway2016_170 Pendimethalin 40487-42-1 DTXSID7024245 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0821 Unitless CCC(CC)NC1=C(C=C(C)C(C)=C1[N+]([O-])=O)[N+]([O-])=O Pendimethalin 40487-42-1|Pendimethalin|3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline|3,4-Dimethyl-2,6-dinitro-N-(1'-ethylpropyl)aniline|3,4-Xylidine, 2,6-dinitro-N-(1-ethylpropyl)-|AC 92553|Accotab|BAS 455 H|Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-|Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-|BRN 2157711|Caswell No. 454BB|CL 92,553|CL 92553|EINECS 254-938-2|EPA Pesticide Chemical Code 108501|Go-Go-San|Herbadox|N-(1-Aethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-Aethylpropyl)-3,4-dimethyl-2,6-dinitroanilin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidene|N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidine|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine|N-(1-etilpropil)-2,6-dinitro-3,4-xilidina|N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline|Pendimax|Pendimethaline|Pendulum|Penoxalin|Penoxaline|Penoxyn|Phenoxalin|Prowl|Sipaxol|Southern Weed Grass Control|Tendimethalin|UNII-VL6L14C06U|155421-40-2|39336-60-2|64667-17-0|64719-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024245
ARPathway2016 ARPathway2016_170 Pendimethalin 40487-42-1 DTXSID7024245 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCC(CC)NC1=C(C=C(C)C(C)=C1[N+]([O-])=O)[N+]([O-])=O Pendimethalin 40487-42-1|Pendimethalin|3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline|3,4-Dimethyl-2,6-dinitro-N-(1'-ethylpropyl)aniline|3,4-Xylidine, 2,6-dinitro-N-(1-ethylpropyl)-|AC 92553|Accotab|BAS 455 H|Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-|Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-|BRN 2157711|Caswell No. 454BB|CL 92,553|CL 92553|EINECS 254-938-2|EPA Pesticide Chemical Code 108501|Go-Go-San|Herbadox|N-(1-Aethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-Aethylpropyl)-3,4-dimethyl-2,6-dinitroanilin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidene|N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidine|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine|N-(1-etilpropil)-2,6-dinitro-3,4-xilidina|N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline|Pendimax|Pendimethaline|Pendulum|Penoxalin|Penoxaline|Penoxyn|Phenoxalin|Prowl|Sipaxol|Southern Weed Grass Control|Tendimethalin|UNII-VL6L14C06U|155421-40-2|39336-60-2|64667-17-0|64719-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024245
ARPathway2016 ARPathway2016_170 Pendimethalin 40487-42-1 DTXSID7024245 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCC(CC)NC1=C(C=C(C)C(C)=C1[N+]([O-])=O)[N+]([O-])=O Pendimethalin 40487-42-1|Pendimethalin|3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline|3,4-Dimethyl-2,6-dinitro-N-(1'-ethylpropyl)aniline|3,4-Xylidine, 2,6-dinitro-N-(1-ethylpropyl)-|AC 92553|Accotab|BAS 455 H|Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-|Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-|BRN 2157711|Caswell No. 454BB|CL 92,553|CL 92553|EINECS 254-938-2|EPA Pesticide Chemical Code 108501|Go-Go-San|Herbadox|N-(1-Aethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-Aethylpropyl)-3,4-dimethyl-2,6-dinitroanilin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidene|N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidine|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine|N-(1-etilpropil)-2,6-dinitro-3,4-xilidina|N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline|Pendimax|Pendimethaline|Pendulum|Penoxalin|Penoxaline|Penoxyn|Phenoxalin|Prowl|Sipaxol|Southern Weed Grass Control|Tendimethalin|UNII-VL6L14C06U|155421-40-2|39336-60-2|64667-17-0|64719-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024245
ARPathway2016 ARPathway2016_170 Pendimethalin 40487-42-1 DTXSID7024245 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCC(CC)NC1=C(C=C(C)C(C)=C1[N+]([O-])=O)[N+]([O-])=O Pendimethalin 40487-42-1|Pendimethalin|3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline|3,4-Dimethyl-2,6-dinitro-N-(1'-ethylpropyl)aniline|3,4-Xylidine, 2,6-dinitro-N-(1-ethylpropyl)-|AC 92553|Accotab|BAS 455 H|Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-|Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-|BRN 2157711|Caswell No. 454BB|CL 92,553|CL 92553|EINECS 254-938-2|EPA Pesticide Chemical Code 108501|Go-Go-San|Herbadox|N-(1-Aethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-Aethylpropyl)-3,4-dimethyl-2,6-dinitroanilin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidene|N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidine|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine|N-(1-etilpropil)-2,6-dinitro-3,4-xilidina|N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline|Pendimax|Pendimethaline|Pendulum|Penoxalin|Penoxaline|Penoxyn|Phenoxalin|Prowl|Sipaxol|Southern Weed Grass Control|Tendimethalin|UNII-VL6L14C06U|155421-40-2|39336-60-2|64667-17-0|64719-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024245
ERPathway2016 ERPathway2016_261 Pendimethalin 40487-42-1 DTXSID7024245 ER Pathway Model, Antagonist AC50 17.4833971154995 uM CCC(CC)NC1=C(C=C(C)C(C)=C1[N+]([O-])=O)[N+]([O-])=O Pendimethalin 40487-42-1|Pendimethalin|3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline|3,4-Dimethyl-2,6-dinitro-N-(1'-ethylpropyl)aniline|3,4-Xylidine, 2,6-dinitro-N-(1-ethylpropyl)-|AC 92553|Accotab|BAS 455 H|Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-|Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-|BRN 2157711|Caswell No. 454BB|CL 92,553|CL 92553|EINECS 254-938-2|EPA Pesticide Chemical Code 108501|Go-Go-San|Herbadox|N-(1-Aethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-Aethylpropyl)-3,4-dimethyl-2,6-dinitroanilin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidene|N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidine|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine|N-(1-etilpropil)-2,6-dinitro-3,4-xilidina|N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline|Pendimax|Pendimethaline|Pendulum|Penoxalin|Penoxaline|Penoxyn|Phenoxalin|Prowl|Sipaxol|Southern Weed Grass Control|Tendimethalin|UNII-VL6L14C06U|155421-40-2|39336-60-2|64667-17-0|64719-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024245
ERPathway2016 ERPathway2016_261 Pendimethalin 40487-42-1 DTXSID7024245 ER Pathway Model, Antagonist ACC 13.9668085736798 uM CCC(CC)NC1=C(C=C(C)C(C)=C1[N+]([O-])=O)[N+]([O-])=O Pendimethalin 40487-42-1|Pendimethalin|3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline|3,4-Dimethyl-2,6-dinitro-N-(1'-ethylpropyl)aniline|3,4-Xylidine, 2,6-dinitro-N-(1-ethylpropyl)-|AC 92553|Accotab|BAS 455 H|Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-|Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-|BRN 2157711|Caswell No. 454BB|CL 92,553|CL 92553|EINECS 254-938-2|EPA Pesticide Chemical Code 108501|Go-Go-San|Herbadox|N-(1-Aethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-Aethylpropyl)-3,4-dimethyl-2,6-dinitroanilin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidene|N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidine|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine|N-(1-etilpropil)-2,6-dinitro-3,4-xilidina|N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline|Pendimax|Pendimethaline|Pendulum|Penoxalin|Penoxaline|Penoxyn|Phenoxalin|Prowl|Sipaxol|Southern Weed Grass Control|Tendimethalin|UNII-VL6L14C06U|155421-40-2|39336-60-2|64667-17-0|64719-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024245
ERPathway2016 ERPathway2016_261 Pendimethalin 40487-42-1 DTXSID7024245 ER Pathway Model, Agonist Model Score 0.0656 Unitless CCC(CC)NC1=C(C=C(C)C(C)=C1[N+]([O-])=O)[N+]([O-])=O Pendimethalin 40487-42-1|Pendimethalin|3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline|3,4-Dimethyl-2,6-dinitro-N-(1'-ethylpropyl)aniline|3,4-Xylidine, 2,6-dinitro-N-(1-ethylpropyl)-|AC 92553|Accotab|BAS 455 H|Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-|Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-|BRN 2157711|Caswell No. 454BB|CL 92,553|CL 92553|EINECS 254-938-2|EPA Pesticide Chemical Code 108501|Go-Go-San|Herbadox|N-(1-Aethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-Aethylpropyl)-3,4-dimethyl-2,6-dinitroanilin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidene|N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidine|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine|N-(1-etilpropil)-2,6-dinitro-3,4-xilidina|N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline|Pendimax|Pendimethaline|Pendulum|Penoxalin|Penoxaline|Penoxyn|Phenoxalin|Prowl|Sipaxol|Southern Weed Grass Control|Tendimethalin|UNII-VL6L14C06U|155421-40-2|39336-60-2|64667-17-0|64719-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024245
ERPathway2016 ERPathway2016_261 Pendimethalin 40487-42-1 DTXSID7024245 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(CC)NC1=C(C=C(C)C(C)=C1[N+]([O-])=O)[N+]([O-])=O Pendimethalin 40487-42-1|Pendimethalin|3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline|3,4-Dimethyl-2,6-dinitro-N-(1'-ethylpropyl)aniline|3,4-Xylidine, 2,6-dinitro-N-(1-ethylpropyl)-|AC 92553|Accotab|BAS 455 H|Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-|Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-|BRN 2157711|Caswell No. 454BB|CL 92,553|CL 92553|EINECS 254-938-2|EPA Pesticide Chemical Code 108501|Go-Go-San|Herbadox|N-(1-Aethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-Aethylpropyl)-3,4-dimethyl-2,6-dinitroanilin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidene|N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidine|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine|N-(1-etilpropil)-2,6-dinitro-3,4-xilidina|N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline|Pendimax|Pendimethaline|Pendulum|Penoxalin|Penoxaline|Penoxyn|Phenoxalin|Prowl|Sipaxol|Southern Weed Grass Control|Tendimethalin|UNII-VL6L14C06U|155421-40-2|39336-60-2|64667-17-0|64719-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024245
ERPathway2016 ERPathway2016_261 Pendimethalin 40487-42-1 DTXSID7024245 ER Pathway Model, Agonist Call Inactive Unitless CCC(CC)NC1=C(C=C(C)C(C)=C1[N+]([O-])=O)[N+]([O-])=O Pendimethalin 40487-42-1|Pendimethalin|3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline|3,4-Dimethyl-2,6-dinitro-N-(1'-ethylpropyl)aniline|3,4-Xylidine, 2,6-dinitro-N-(1-ethylpropyl)-|AC 92553|Accotab|BAS 455 H|Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-|Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-|BRN 2157711|Caswell No. 454BB|CL 92,553|CL 92553|EINECS 254-938-2|EPA Pesticide Chemical Code 108501|Go-Go-San|Herbadox|N-(1-Aethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-Aethylpropyl)-3,4-dimethyl-2,6-dinitroanilin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidene|N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidine|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine|N-(1-etilpropil)-2,6-dinitro-3,4-xilidina|N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline|Pendimax|Pendimethaline|Pendulum|Penoxalin|Penoxaline|Penoxyn|Phenoxalin|Prowl|Sipaxol|Southern Weed Grass Control|Tendimethalin|UNII-VL6L14C06U|155421-40-2|39336-60-2|64667-17-0|64719-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024245
ERPathway2016 ERPathway2016_261 Pendimethalin 40487-42-1 DTXSID7024245 ER Pathway Model, Antagonist Call Active Unitless CCC(CC)NC1=C(C=C(C)C(C)=C1[N+]([O-])=O)[N+]([O-])=O Pendimethalin 40487-42-1|Pendimethalin|3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline|3,4-Dimethyl-2,6-dinitro-N-(1'-ethylpropyl)aniline|3,4-Xylidine, 2,6-dinitro-N-(1-ethylpropyl)-|AC 92553|Accotab|BAS 455 H|Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-|Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-|BRN 2157711|Caswell No. 454BB|CL 92,553|CL 92553|EINECS 254-938-2|EPA Pesticide Chemical Code 108501|Go-Go-San|Herbadox|N-(1-Aethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-Aethylpropyl)-3,4-dimethyl-2,6-dinitroanilin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidene|N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidin|N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidine|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline|N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine|N-(1-etilpropil)-2,6-dinitro-3,4-xilidina|N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline|Pendimax|Pendimethaline|Pendulum|Penoxalin|Penoxaline|Penoxyn|Phenoxalin|Prowl|Sipaxol|Southern Weed Grass Control|Tendimethalin|UNII-VL6L14C06U|155421-40-2|39336-60-2|64667-17-0|64719-41-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024245
ARPathway2016 ARPathway2016_1004 Penoxsulam 219714-96-2 DTXSID0034803 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CN=C(OC)N2N=C(NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)N=C12 Penoxsulam 219714-96-2|Penoxsulam|2-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide|Benzenesulfonamide, 2- (2, 2- difluoroethoxy) - N- (5, 8- dimethoxy[1, 2, 4] triazolo[1, 5- c] pyrimidin- 2- yl) - 6- (trifluoromethyl) -|Clipper (benzenesulfonamide)|Clipper 20OD|DASH 001|Granite|Grasp (benzenesulfonamide)|Grasp EC|Rainbow 25OD|Ricer 240SC|UNII-784ELC1SCZ|Viper|XDE-638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034803
ARPathway2016 ARPathway2016_1004 Penoxsulam 219714-96-2 DTXSID0034803 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CN=C(OC)N2N=C(NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)N=C12 Penoxsulam 219714-96-2|Penoxsulam|2-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide|Benzenesulfonamide, 2- (2, 2- difluoroethoxy) - N- (5, 8- dimethoxy[1, 2, 4] triazolo[1, 5- c] pyrimidin- 2- yl) - 6- (trifluoromethyl) -|Clipper (benzenesulfonamide)|Clipper 20OD|DASH 001|Granite|Grasp (benzenesulfonamide)|Grasp EC|Rainbow 25OD|Ricer 240SC|UNII-784ELC1SCZ|Viper|XDE-638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034803
ARPathway2016 ARPathway2016_1004 Penoxsulam 219714-96-2 DTXSID0034803 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CN=C(OC)N2N=C(NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)N=C12 Penoxsulam 219714-96-2|Penoxsulam|2-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide|Benzenesulfonamide, 2- (2, 2- difluoroethoxy) - N- (5, 8- dimethoxy[1, 2, 4] triazolo[1, 5- c] pyrimidin- 2- yl) - 6- (trifluoromethyl) -|Clipper (benzenesulfonamide)|Clipper 20OD|DASH 001|Granite|Grasp (benzenesulfonamide)|Grasp EC|Rainbow 25OD|Ricer 240SC|UNII-784ELC1SCZ|Viper|XDE-638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034803
ARPathway2016 ARPathway2016_1004 Penoxsulam 219714-96-2 DTXSID0034803 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CN=C(OC)N2N=C(NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)N=C12 Penoxsulam 219714-96-2|Penoxsulam|2-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide|Benzenesulfonamide, 2- (2, 2- difluoroethoxy) - N- (5, 8- dimethoxy[1, 2, 4] triazolo[1, 5- c] pyrimidin- 2- yl) - 6- (trifluoromethyl) -|Clipper (benzenesulfonamide)|Clipper 20OD|DASH 001|Granite|Grasp (benzenesulfonamide)|Grasp EC|Rainbow 25OD|Ricer 240SC|UNII-784ELC1SCZ|Viper|XDE-638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034803
ERPathway2016 ERPathway2016_1381 Penoxsulam 219714-96-2 DTXSID0034803 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CN=C(OC)N2N=C(NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)N=C12 Penoxsulam 219714-96-2|Penoxsulam|2-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide|Benzenesulfonamide, 2- (2, 2- difluoroethoxy) - N- (5, 8- dimethoxy[1, 2, 4] triazolo[1, 5- c] pyrimidin- 2- yl) - 6- (trifluoromethyl) -|Clipper (benzenesulfonamide)|Clipper 20OD|DASH 001|Granite|Grasp (benzenesulfonamide)|Grasp EC|Rainbow 25OD|Ricer 240SC|UNII-784ELC1SCZ|Viper|XDE-638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034803
ERPathway2016 ERPathway2016_1381 Penoxsulam 219714-96-2 DTXSID0034803 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CN=C(OC)N2N=C(NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)N=C12 Penoxsulam 219714-96-2|Penoxsulam|2-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide|Benzenesulfonamide, 2- (2, 2- difluoroethoxy) - N- (5, 8- dimethoxy[1, 2, 4] triazolo[1, 5- c] pyrimidin- 2- yl) - 6- (trifluoromethyl) -|Clipper (benzenesulfonamide)|Clipper 20OD|DASH 001|Granite|Grasp (benzenesulfonamide)|Grasp EC|Rainbow 25OD|Ricer 240SC|UNII-784ELC1SCZ|Viper|XDE-638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034803
ERPathway2016 ERPathway2016_1381 Penoxsulam 219714-96-2 DTXSID0034803 ER Pathway Model, Agonist Call Inactive Unitless COC1=CN=C(OC)N2N=C(NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)N=C12 Penoxsulam 219714-96-2|Penoxsulam|2-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide|Benzenesulfonamide, 2- (2, 2- difluoroethoxy) - N- (5, 8- dimethoxy[1, 2, 4] triazolo[1, 5- c] pyrimidin- 2- yl) - 6- (trifluoromethyl) -|Clipper (benzenesulfonamide)|Clipper 20OD|DASH 001|Granite|Grasp (benzenesulfonamide)|Grasp EC|Rainbow 25OD|Ricer 240SC|UNII-784ELC1SCZ|Viper|XDE-638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034803
ERPathway2016 ERPathway2016_1381 Penoxsulam 219714-96-2 DTXSID0034803 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CN=C(OC)N2N=C(NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)N=C12 Penoxsulam 219714-96-2|Penoxsulam|2-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide|Benzenesulfonamide, 2- (2, 2- difluoroethoxy) - N- (5, 8- dimethoxy[1, 2, 4] triazolo[1, 5- c] pyrimidin- 2- yl) - 6- (trifluoromethyl) -|Clipper (benzenesulfonamide)|Clipper 20OD|DASH 001|Granite|Grasp (benzenesulfonamide)|Grasp EC|Rainbow 25OD|Ricer 240SC|UNII-784ELC1SCZ|Viper|XDE-638 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034803
ARPathway2016 ARPathway2016_951 Pentachloroanisole 1825-21-4 DTXSID2021103 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Pentachloroanisole 1825-21-4|Pentachloroanisole|2,3,4,5,6-Pentachloroanisole|4-06-00-01027|BRN 2052667|Ether, methyl pentachlorophenyl|Methyl pentachlorophenate|Methyl pentachlorophenyl ester|Methyl pentachlorophenyl ether|NCI-C56520|Pentachloranisole|Pentachloromethoxybenzene|Pentachlorophenyl methyl ether|UNII-14D125MH3W https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021103 https://doi.org/10.22427/NTP-DATA-DTXSID2021103
ARPathway2016 ARPathway2016_951 Pentachloroanisole 1825-21-4 DTXSID2021103 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Pentachloroanisole 1825-21-4|Pentachloroanisole|2,3,4,5,6-Pentachloroanisole|4-06-00-01027|BRN 2052667|Ether, methyl pentachlorophenyl|Methyl pentachlorophenate|Methyl pentachlorophenyl ester|Methyl pentachlorophenyl ether|NCI-C56520|Pentachloranisole|Pentachloromethoxybenzene|Pentachlorophenyl methyl ether|UNII-14D125MH3W https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021103 https://doi.org/10.22427/NTP-DATA-DTXSID2021103
ARPathway2016 ARPathway2016_951 Pentachloroanisole 1825-21-4 DTXSID2021103 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Pentachloroanisole 1825-21-4|Pentachloroanisole|2,3,4,5,6-Pentachloroanisole|4-06-00-01027|BRN 2052667|Ether, methyl pentachlorophenyl|Methyl pentachlorophenate|Methyl pentachlorophenyl ester|Methyl pentachlorophenyl ether|NCI-C56520|Pentachloranisole|Pentachloromethoxybenzene|Pentachlorophenyl methyl ether|UNII-14D125MH3W https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021103 https://doi.org/10.22427/NTP-DATA-DTXSID2021103
ARPathway2016 ARPathway2016_951 Pentachloroanisole 1825-21-4 DTXSID2021103 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Pentachloroanisole 1825-21-4|Pentachloroanisole|2,3,4,5,6-Pentachloroanisole|4-06-00-01027|BRN 2052667|Ether, methyl pentachlorophenyl|Methyl pentachlorophenate|Methyl pentachlorophenyl ester|Methyl pentachlorophenyl ether|NCI-C56520|Pentachloranisole|Pentachloromethoxybenzene|Pentachlorophenyl methyl ether|UNII-14D125MH3W https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021103 https://doi.org/10.22427/NTP-DATA-DTXSID2021103
ERPathway2016 ERPathway2016_928 Pentachloroanisole 1825-21-4 DTXSID2021103 ER Pathway Model, Agonist Model Score 0 Unitless COC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Pentachloroanisole 1825-21-4|Pentachloroanisole|2,3,4,5,6-Pentachloroanisole|4-06-00-01027|BRN 2052667|Ether, methyl pentachlorophenyl|Methyl pentachlorophenate|Methyl pentachlorophenyl ester|Methyl pentachlorophenyl ether|NCI-C56520|Pentachloranisole|Pentachloromethoxybenzene|Pentachlorophenyl methyl ether|UNII-14D125MH3W https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021103 https://doi.org/10.22427/NTP-DATA-DTXSID2021103
ERPathway2016 ERPathway2016_928 Pentachloroanisole 1825-21-4 DTXSID2021103 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Pentachloroanisole 1825-21-4|Pentachloroanisole|2,3,4,5,6-Pentachloroanisole|4-06-00-01027|BRN 2052667|Ether, methyl pentachlorophenyl|Methyl pentachlorophenate|Methyl pentachlorophenyl ester|Methyl pentachlorophenyl ether|NCI-C56520|Pentachloranisole|Pentachloromethoxybenzene|Pentachlorophenyl methyl ether|UNII-14D125MH3W https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021103 https://doi.org/10.22427/NTP-DATA-DTXSID2021103
ERPathway2016 ERPathway2016_928 Pentachloroanisole 1825-21-4 DTXSID2021103 ER Pathway Model, Agonist Call Inactive Unitless COC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Pentachloroanisole 1825-21-4|Pentachloroanisole|2,3,4,5,6-Pentachloroanisole|4-06-00-01027|BRN 2052667|Ether, methyl pentachlorophenyl|Methyl pentachlorophenate|Methyl pentachlorophenyl ester|Methyl pentachlorophenyl ether|NCI-C56520|Pentachloranisole|Pentachloromethoxybenzene|Pentachlorophenyl methyl ether|UNII-14D125MH3W https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021103 https://doi.org/10.22427/NTP-DATA-DTXSID2021103
ERPathway2016 ERPathway2016_928 Pentachloroanisole 1825-21-4 DTXSID2021103 ER Pathway Model, Antagonist Call Inactive Unitless COC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Pentachloroanisole 1825-21-4|Pentachloroanisole|2,3,4,5,6-Pentachloroanisole|4-06-00-01027|BRN 2052667|Ether, methyl pentachlorophenyl|Methyl pentachlorophenate|Methyl pentachlorophenyl ester|Methyl pentachlorophenyl ether|NCI-C56520|Pentachloranisole|Pentachloromethoxybenzene|Pentachlorophenyl methyl ether|UNII-14D125MH3W https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021103 https://doi.org/10.22427/NTP-DATA-DTXSID2021103
ARPathway2016 ARPathway2016_1672 Pentachlorophenol 87-86-5 DTXSID7021106 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Pentachlorophenol 87-86-5|Pentachlorophenol|1-Hydroxy-2,3,4,5,6-pentachlorobenzene|1-Hydroxypentachlorobenzene|2, 3,4,5,6-Pentachlorophenol|2,3,4,5,6-Pentachlorophenol|2,3,4,5,6-Pentachlorophenol (ACD/Name 4.0)|BRN 1285380|Caswell No. 641|Chem-Penta|Chem-Tol|Chlorophen|Chlorophenasic acid|CHLOROPHENATE|Dow pentachlorophenol DP-2 antimicrobial|Dowicide 7|Dowicide 7 Antimicrobial|Dowicide EC 7|Dowicide EC-7|Dowicide G|Dura Treet II|Durotox|EINECS 201-778-6|EPA Pesticide Chemical Code 063001|Forpen-50 Wood Preservative|Fungifen|Glazd penta|Grundier Arbezol|Lauxtol|Lauxtol A|Liroprem|NCI-C54933|NCI-C55378|NCI-C56655|NSC 263497|Ontrack WE Herbicide|Ortho Triox Liquid Vegetation Killer|Osmose Wood Preserving Compound|PCP|PCP (pesticide)|Penchlorol|Penta|Penta Concentrate|Penta ready|Penta WR|Penta-Kil|Pentachloorfenol|Pentachloorfenol (DUTCH)|Pentachloro-Phenol|Pentachlorofenol|Pentachlorophenate|Pentachlorophenol pure|Pentachlorophenol, DP-2|Pentachlorphenol|Pentachlorphenol (GERMAN)|Pentaclorofenolo|Pentaclorofenolo (ITALIAN)|Pentacon|Pentasol|Penwar|Perat|101802-54-4|1135443-67-2|39390-77-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021106 https://doi.org/10.22427/NTP-DATA-DTXSID7021106
ARPathway2016 ARPathway2016_1672 Pentachlorophenol 87-86-5 DTXSID7021106 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Pentachlorophenol 87-86-5|Pentachlorophenol|1-Hydroxy-2,3,4,5,6-pentachlorobenzene|1-Hydroxypentachlorobenzene|2, 3,4,5,6-Pentachlorophenol|2,3,4,5,6-Pentachlorophenol|2,3,4,5,6-Pentachlorophenol (ACD/Name 4.0)|BRN 1285380|Caswell No. 641|Chem-Penta|Chem-Tol|Chlorophen|Chlorophenasic acid|CHLOROPHENATE|Dow pentachlorophenol DP-2 antimicrobial|Dowicide 7|Dowicide 7 Antimicrobial|Dowicide EC 7|Dowicide EC-7|Dowicide G|Dura Treet II|Durotox|EINECS 201-778-6|EPA Pesticide Chemical Code 063001|Forpen-50 Wood Preservative|Fungifen|Glazd penta|Grundier Arbezol|Lauxtol|Lauxtol A|Liroprem|NCI-C54933|NCI-C55378|NCI-C56655|NSC 263497|Ontrack WE Herbicide|Ortho Triox Liquid Vegetation Killer|Osmose Wood Preserving Compound|PCP|PCP (pesticide)|Penchlorol|Penta|Penta Concentrate|Penta ready|Penta WR|Penta-Kil|Pentachloorfenol|Pentachloorfenol (DUTCH)|Pentachloro-Phenol|Pentachlorofenol|Pentachlorophenate|Pentachlorophenol pure|Pentachlorophenol, DP-2|Pentachlorphenol|Pentachlorphenol (GERMAN)|Pentaclorofenolo|Pentaclorofenolo (ITALIAN)|Pentacon|Pentasol|Penwar|Perat|101802-54-4|1135443-67-2|39390-77-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021106 https://doi.org/10.22427/NTP-DATA-DTXSID7021106
ARPathway2016 ARPathway2016_1672 Pentachlorophenol 87-86-5 DTXSID7021106 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Agonist Call Inactive Unitless OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Pentachlorophenol 87-86-5|Pentachlorophenol|1-Hydroxy-2,3,4,5,6-pentachlorobenzene|1-Hydroxypentachlorobenzene|2, 3,4,5,6-Pentachlorophenol|2,3,4,5,6-Pentachlorophenol|2,3,4,5,6-Pentachlorophenol (ACD/Name 4.0)|BRN 1285380|Caswell No. 641|Chem-Penta|Chem-Tol|Chlorophen|Chlorophenasic acid|CHLOROPHENATE|Dow pentachlorophenol DP-2 antimicrobial|Dowicide 7|Dowicide 7 Antimicrobial|Dowicide EC 7|Dowicide EC-7|Dowicide G|Dura Treet II|Durotox|EINECS 201-778-6|EPA Pesticide Chemical Code 063001|Forpen-50 Wood Preservative|Fungifen|Glazd penta|Grundier Arbezol|Lauxtol|Lauxtol A|Liroprem|NCI-C54933|NCI-C55378|NCI-C56655|NSC 263497|Ontrack WE Herbicide|Ortho Triox Liquid Vegetation Killer|Osmose Wood Preserving Compound|PCP|PCP (pesticide)|Penchlorol|Penta|Penta Concentrate|Penta ready|Penta WR|Penta-Kil|Pentachloorfenol|Pentachloorfenol (DUTCH)|Pentachloro-Phenol|Pentachlorofenol|Pentachlorophenate|Pentachlorophenol pure|Pentachlorophenol, DP-2|Pentachlorphenol|Pentachlorphenol (GERMAN)|Pentaclorofenolo|Pentaclorofenolo (ITALIAN)|Pentacon|Pentasol|Penwar|Perat|101802-54-4|1135443-67-2|39390-77-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021106 https://doi.org/10.22427/NTP-DATA-DTXSID7021106
ARPathway2016 ARPathway2016_1672 Pentachlorophenol 87-86-5 DTXSID7021106 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Pentachlorophenol 87-86-5|Pentachlorophenol|1-Hydroxy-2,3,4,5,6-pentachlorobenzene|1-Hydroxypentachlorobenzene|2, 3,4,5,6-Pentachlorophenol|2,3,4,5,6-Pentachlorophenol|2,3,4,5,6-Pentachlorophenol (ACD/Name 4.0)|BRN 1285380|Caswell No. 641|Chem-Penta|Chem-Tol|Chlorophen|Chlorophenasic acid|CHLOROPHENATE|Dow pentachlorophenol DP-2 antimicrobial|Dowicide 7|Dowicide 7 Antimicrobial|Dowicide EC 7|Dowicide EC-7|Dowicide G|Dura Treet II|Durotox|EINECS 201-778-6|EPA Pesticide Chemical Code 063001|Forpen-50 Wood Preservative|Fungifen|Glazd penta|Grundier Arbezol|Lauxtol|Lauxtol A|Liroprem|NCI-C54933|NCI-C55378|NCI-C56655|NSC 263497|Ontrack WE Herbicide|Ortho Triox Liquid Vegetation Killer|Osmose Wood Preserving Compound|PCP|PCP (pesticide)|Penchlorol|Penta|Penta Concentrate|Penta ready|Penta WR|Penta-Kil|Pentachloorfenol|Pentachloorfenol (DUTCH)|Pentachloro-Phenol|Pentachlorofenol|Pentachlorophenate|Pentachlorophenol pure|Pentachlorophenol, DP-2|Pentachlorphenol|Pentachlorphenol (GERMAN)|Pentaclorofenolo|Pentaclorofenolo (ITALIAN)|Pentacon|Pentasol|Penwar|Perat|101802-54-4|1135443-67-2|39390-77-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021106 https://doi.org/10.22427/NTP-DATA-DTXSID7021106
ERPathway2016 ERPathway2016_667 Pentachlorophenol 87-86-5 DTXSID7021106 ER Pathway Model, Agonist Model Score 0 Unitless OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Pentachlorophenol 87-86-5|Pentachlorophenol|1-Hydroxy-2,3,4,5,6-pentachlorobenzene|1-Hydroxypentachlorobenzene|2, 3,4,5,6-Pentachlorophenol|2,3,4,5,6-Pentachlorophenol|2,3,4,5,6-Pentachlorophenol (ACD/Name 4.0)|BRN 1285380|Caswell No. 641|Chem-Penta|Chem-Tol|Chlorophen|Chlorophenasic acid|CHLOROPHENATE|Dow pentachlorophenol DP-2 antimicrobial|Dowicide 7|Dowicide 7 Antimicrobial|Dowicide EC 7|Dowicide EC-7|Dowicide G|Dura Treet II|Durotox|EINECS 201-778-6|EPA Pesticide Chemical Code 063001|Forpen-50 Wood Preservative|Fungifen|Glazd penta|Grundier Arbezol|Lauxtol|Lauxtol A|Liroprem|NCI-C54933|NCI-C55378|NCI-C56655|NSC 263497|Ontrack WE Herbicide|Ortho Triox Liquid Vegetation Killer|Osmose Wood Preserving Compound|PCP|PCP (pesticide)|Penchlorol|Penta|Penta Concentrate|Penta ready|Penta WR|Penta-Kil|Pentachloorfenol|Pentachloorfenol (DUTCH)|Pentachloro-Phenol|Pentachlorofenol|Pentachlorophenate|Pentachlorophenol pure|Pentachlorophenol, DP-2|Pentachlorphenol|Pentachlorphenol (GERMAN)|Pentaclorofenolo|Pentaclorofenolo (ITALIAN)|Pentacon|Pentasol|Penwar|Perat|101802-54-4|1135443-67-2|39390-77-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021106 https://doi.org/10.22427/NTP-DATA-DTXSID7021106
ERPathway2016 ERPathway2016_667 Pentachlorophenol 87-86-5 DTXSID7021106 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Pentachlorophenol 87-86-5|Pentachlorophenol|1-Hydroxy-2,3,4,5,6-pentachlorobenzene|1-Hydroxypentachlorobenzene|2, 3,4,5,6-Pentachlorophenol|2,3,4,5,6-Pentachlorophenol|2,3,4,5,6-Pentachlorophenol (ACD/Name 4.0)|BRN 1285380|Caswell No. 641|Chem-Penta|Chem-Tol|Chlorophen|Chlorophenasic acid|CHLOROPHENATE|Dow pentachlorophenol DP-2 antimicrobial|Dowicide 7|Dowicide 7 Antimicrobial|Dowicide EC 7|Dowicide EC-7|Dowicide G|Dura Treet II|Durotox|EINECS 201-778-6|EPA Pesticide Chemical Code 063001|Forpen-50 Wood Preservative|Fungifen|Glazd penta|Grundier Arbezol|Lauxtol|Lauxtol A|Liroprem|NCI-C54933|NCI-C55378|NCI-C56655|NSC 263497|Ontrack WE Herbicide|Ortho Triox Liquid Vegetation Killer|Osmose Wood Preserving Compound|PCP|PCP (pesticide)|Penchlorol|Penta|Penta Concentrate|Penta ready|Penta WR|Penta-Kil|Pentachloorfenol|Pentachloorfenol (DUTCH)|Pentachloro-Phenol|Pentachlorofenol|Pentachlorophenate|Pentachlorophenol pure|Pentachlorophenol, DP-2|Pentachlorphenol|Pentachlorphenol (GERMAN)|Pentaclorofenolo|Pentaclorofenolo (ITALIAN)|Pentacon|Pentasol|Penwar|Perat|101802-54-4|1135443-67-2|39390-77-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021106 https://doi.org/10.22427/NTP-DATA-DTXSID7021106
ERPathway2016 ERPathway2016_667 Pentachlorophenol 87-86-5 DTXSID7021106 ER Pathway Model, Agonist Call Inactive Unitless OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Pentachlorophenol 87-86-5|Pentachlorophenol|1-Hydroxy-2,3,4,5,6-pentachlorobenzene|1-Hydroxypentachlorobenzene|2, 3,4,5,6-Pentachlorophenol|2,3,4,5,6-Pentachlorophenol|2,3,4,5,6-Pentachlorophenol (ACD/Name 4.0)|BRN 1285380|Caswell No. 641|Chem-Penta|Chem-Tol|Chlorophen|Chlorophenasic acid|CHLOROPHENATE|Dow pentachlorophenol DP-2 antimicrobial|Dowicide 7|Dowicide 7 Antimicrobial|Dowicide EC 7|Dowicide EC-7|Dowicide G|Dura Treet II|Durotox|EINECS 201-778-6|EPA Pesticide Chemical Code 063001|Forpen-50 Wood Preservative|Fungifen|Glazd penta|Grundier Arbezol|Lauxtol|Lauxtol A|Liroprem|NCI-C54933|NCI-C55378|NCI-C56655|NSC 263497|Ontrack WE Herbicide|Ortho Triox Liquid Vegetation Killer|Osmose Wood Preserving Compound|PCP|PCP (pesticide)|Penchlorol|Penta|Penta Concentrate|Penta ready|Penta WR|Penta-Kil|Pentachloorfenol|Pentachloorfenol (DUTCH)|Pentachloro-Phenol|Pentachlorofenol|Pentachlorophenate|Pentachlorophenol pure|Pentachlorophenol, DP-2|Pentachlorphenol|Pentachlorphenol (GERMAN)|Pentaclorofenolo|Pentaclorofenolo (ITALIAN)|Pentacon|Pentasol|Penwar|Perat|101802-54-4|1135443-67-2|39390-77-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021106 https://doi.org/10.22427/NTP-DATA-DTXSID7021106
ERPathway2016 ERPathway2016_667 Pentachlorophenol 87-86-5 DTXSID7021106 ER Pathway Model, Antagonist Call Inactive Unitless OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl Pentachlorophenol 87-86-5|Pentachlorophenol|1-Hydroxy-2,3,4,5,6-pentachlorobenzene|1-Hydroxypentachlorobenzene|2, 3,4,5,6-Pentachlorophenol|2,3,4,5,6-Pentachlorophenol|2,3,4,5,6-Pentachlorophenol (ACD/Name 4.0)|BRN 1285380|Caswell No. 641|Chem-Penta|Chem-Tol|Chlorophen|Chlorophenasic acid|CHLOROPHENATE|Dow pentachlorophenol DP-2 antimicrobial|Dowicide 7|Dowicide 7 Antimicrobial|Dowicide EC 7|Dowicide EC-7|Dowicide G|Dura Treet II|Durotox|EINECS 201-778-6|EPA Pesticide Chemical Code 063001|Forpen-50 Wood Preservative|Fungifen|Glazd penta|Grundier Arbezol|Lauxtol|Lauxtol A|Liroprem|NCI-C54933|NCI-C55378|NCI-C56655|NSC 263497|Ontrack WE Herbicide|Ortho Triox Liquid Vegetation Killer|Osmose Wood Preserving Compound|PCP|PCP (pesticide)|Penchlorol|Penta|Penta Concentrate|Penta ready|Penta WR|Penta-Kil|Pentachloorfenol|Pentachloorfenol (DUTCH)|Pentachloro-Phenol|Pentachlorofenol|Pentachlorophenate|Pentachlorophenol pure|Pentachlorophenol, DP-2|Pentachlorphenol|Pentachlorphenol (GERMAN)|Pentaclorofenolo|Pentaclorofenolo (ITALIAN)|Pentacon|Pentasol|Penwar|Perat|101802-54-4|1135443-67-2|39390-77-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021106 https://doi.org/10.22427/NTP-DATA-DTXSID7021106
ARPathway2016 ARPathway2016_1003 Pentachloropyridine 2176-62-7 DTXSID2022179 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=NC(Cl)=C(Cl)C(Cl)=C1Cl Pentachloropyridine 2176-62-7|Pentachloropyridine|2,3,4,5,6-Pentachloropyridine|BRN 0155197|EINECS 218-535-5|NSC 26286|Perchloropyridine|UNII-6MM852KA6T https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022179
ARPathway2016 ARPathway2016_1003 Pentachloropyridine 2176-62-7 DTXSID2022179 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=NC(Cl)=C(Cl)C(Cl)=C1Cl Pentachloropyridine 2176-62-7|Pentachloropyridine|2,3,4,5,6-Pentachloropyridine|BRN 0155197|EINECS 218-535-5|NSC 26286|Perchloropyridine|UNII-6MM852KA6T https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022179
ARPathway2016 ARPathway2016_1003 Pentachloropyridine 2176-62-7 DTXSID2022179 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Call Inactive Unitless ClC1=NC(Cl)=C(Cl)C(Cl)=C1Cl Pentachloropyridine 2176-62-7|Pentachloropyridine|2,3,4,5,6-Pentachloropyridine|BRN 0155197|EINECS 218-535-5|NSC 26286|Perchloropyridine|UNII-6MM852KA6T https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022179
ARPathway2016 ARPathway2016_1003 Pentachloropyridine 2176-62-7 DTXSID2022179 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=NC(Cl)=C(Cl)C(Cl)=C1Cl Pentachloropyridine 2176-62-7|Pentachloropyridine|2,3,4,5,6-Pentachloropyridine|BRN 0155197|EINECS 218-535-5|NSC 26286|Perchloropyridine|UNII-6MM852KA6T https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022179
ERPathway2016 ERPathway2016_857 Pentachloropyridine 2176-62-7 DTXSID2022179 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=NC(Cl)=C(Cl)C(Cl)=C1Cl Pentachloropyridine 2176-62-7|Pentachloropyridine|2,3,4,5,6-Pentachloropyridine|BRN 0155197|EINECS 218-535-5|NSC 26286|Perchloropyridine|UNII-6MM852KA6T https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022179
ERPathway2016 ERPathway2016_857 Pentachloropyridine 2176-62-7 DTXSID2022179 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=NC(Cl)=C(Cl)C(Cl)=C1Cl Pentachloropyridine 2176-62-7|Pentachloropyridine|2,3,4,5,6-Pentachloropyridine|BRN 0155197|EINECS 218-535-5|NSC 26286|Perchloropyridine|UNII-6MM852KA6T https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022179
ERPathway2016 ERPathway2016_857 Pentachloropyridine 2176-62-7 DTXSID2022179 ER Pathway Model, Agonist Call Inactive Unitless ClC1=NC(Cl)=C(Cl)C(Cl)=C1Cl Pentachloropyridine 2176-62-7|Pentachloropyridine|2,3,4,5,6-Pentachloropyridine|BRN 0155197|EINECS 218-535-5|NSC 26286|Perchloropyridine|UNII-6MM852KA6T https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022179
ERPathway2016 ERPathway2016_857 Pentachloropyridine 2176-62-7 DTXSID2022179 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=NC(Cl)=C(Cl)C(Cl)=C1Cl Pentachloropyridine 2176-62-7|Pentachloropyridine|2,3,4,5,6-Pentachloropyridine|BRN 0155197|EINECS 218-535-5|NSC 26286|Perchloropyridine|UNII-6MM852KA6T https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022179
ARPathway2016 ARPathway2016_1424 Pentadecane 629-62-9 DTXSID6027268 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCCC Pentadecane 629-62-9|Pentadecane|4-01-00-00529|BRN 1698194|CH3-[CH2]13-CH3|EINECS 211-098-1|n-Pentadecane|NSC 172781|Pentadecan|pentadecano|Pentadekan|UNII-16H6K2S8M2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027268
ARPathway2016 ARPathway2016_1424 Pentadecane 629-62-9 DTXSID6027268 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCCC Pentadecane 629-62-9|Pentadecane|4-01-00-00529|BRN 1698194|CH3-[CH2]13-CH3|EINECS 211-098-1|n-Pentadecane|NSC 172781|Pentadecan|pentadecano|Pentadekan|UNII-16H6K2S8M2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027268
ARPathway2016 ARPathway2016_1424 Pentadecane 629-62-9 DTXSID6027268 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCCC Pentadecane 629-62-9|Pentadecane|4-01-00-00529|BRN 1698194|CH3-[CH2]13-CH3|EINECS 211-098-1|n-Pentadecane|NSC 172781|Pentadecan|pentadecano|Pentadekan|UNII-16H6K2S8M2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027268
ARPathway2016 ARPathway2016_1424 Pentadecane 629-62-9 DTXSID6027268 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCCC Pentadecane 629-62-9|Pentadecane|4-01-00-00529|BRN 1698194|CH3-[CH2]13-CH3|EINECS 211-098-1|n-Pentadecane|NSC 172781|Pentadecan|pentadecano|Pentadekan|UNII-16H6K2S8M2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027268
ERPathway2016 ERPathway2016_918 Pentadecane 629-62-9 DTXSID6027268 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCCC Pentadecane 629-62-9|Pentadecane|4-01-00-00529|BRN 1698194|CH3-[CH2]13-CH3|EINECS 211-098-1|n-Pentadecane|NSC 172781|Pentadecan|pentadecano|Pentadekan|UNII-16H6K2S8M2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027268
ERPathway2016 ERPathway2016_918 Pentadecane 629-62-9 DTXSID6027268 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCCC Pentadecane 629-62-9|Pentadecane|4-01-00-00529|BRN 1698194|CH3-[CH2]13-CH3|EINECS 211-098-1|n-Pentadecane|NSC 172781|Pentadecan|pentadecano|Pentadekan|UNII-16H6K2S8M2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027268
ERPathway2016 ERPathway2016_918 Pentadecane 629-62-9 DTXSID6027268 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCCC Pentadecane 629-62-9|Pentadecane|4-01-00-00529|BRN 1698194|CH3-[CH2]13-CH3|EINECS 211-098-1|n-Pentadecane|NSC 172781|Pentadecan|pentadecano|Pentadekan|UNII-16H6K2S8M2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027268
ERPathway2016 ERPathway2016_918 Pentadecane 629-62-9 DTXSID6027268 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCCC Pentadecane 629-62-9|Pentadecane|4-01-00-00529|BRN 1698194|CH3-[CH2]13-CH3|EINECS 211-098-1|n-Pentadecane|NSC 172781|Pentadecan|pentadecano|Pentadekan|UNII-16H6K2S8M2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027268
ARPathway2016 ARPathway2016_628 Pentaerythritol 115-77-5 DTXSID2026943 1.0 R6 AR Pathway Model, Antagonist Model Score 0 Unitless OCC(CO)(CO)CO Pentaerythritol 115-77-5|Pentaerythritol|1,1,1-Tris(hydroxymethyl)ethanol|1,3-Propanediol, 2,2-bis(hydroxymethyl)-|2,2-Bis(hydroxymethyl)-1,3-dihydroxypropane|2,2-Bis(hydroxymethyl)-1,3-propanediol|4-01-00-02812|Auxinutril|BRN 1679274|Charmor PM 15|Charmor PM 40|EINECS 204-104-9|Flammex DPE|Hercules P 6|Hercules P6|Maxinutril|Metab-Auxil|Methane tetramethylol|Monopentaerythritol|Monopentek|Neulizer P|NSC 8100|Penetek|pentaeritritol|PENTAERYTHRIT|Pentaerythrite|Pentarit|Pentarit S|PROPANE-1,3-DIOL, 2,2-BIS(HYDROXYMETHYL)-|Tetra(hydroxymethyl)methane|Tetrahydroxymethylmethane|Tetrakis(hydroxymethyl)methane|Tetramethylolmethane|UNII-SU420W1S6N|75398-86-6|88201-29-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026943
ARPathway2016 ARPathway2016_628 Pentaerythritol 115-77-5 DTXSID2026943 1.0 R6 AR Pathway Model, Agonist Model Score 0 Unitless OCC(CO)(CO)CO Pentaerythritol 115-77-5|Pentaerythritol|1,1,1-Tris(hydroxymethyl)ethanol|1,3-Propanediol, 2,2-bis(hydroxymethyl)-|2,2-Bis(hydroxymethyl)-1,3-dihydroxypropane|2,2-Bis(hydroxymethyl)-1,3-propanediol|4-01-00-02812|Auxinutril|BRN 1679274|Charmor PM 15|Charmor PM 40|EINECS 204-104-9|Flammex DPE|Hercules P 6|Hercules P6|Maxinutril|Metab-Auxil|Methane tetramethylol|Monopentaerythritol|Monopentek|Neulizer P|NSC 8100|Penetek|pentaeritritol|PENTAERYTHRIT|Pentaerythrite|Pentarit|Pentarit S|PROPANE-1,3-DIOL, 2,2-BIS(HYDROXYMETHYL)-|Tetra(hydroxymethyl)methane|Tetrahydroxymethylmethane|Tetrakis(hydroxymethyl)methane|Tetramethylolmethane|UNII-SU420W1S6N|75398-86-6|88201-29-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026943
ARPathway2016 ARPathway2016_628 Pentaerythritol 115-77-5 DTXSID2026943 1.0 R6 AR Pathway Model, Agonist Call Inactive Unitless OCC(CO)(CO)CO Pentaerythritol 115-77-5|Pentaerythritol|1,1,1-Tris(hydroxymethyl)ethanol|1,3-Propanediol, 2,2-bis(hydroxymethyl)-|2,2-Bis(hydroxymethyl)-1,3-dihydroxypropane|2,2-Bis(hydroxymethyl)-1,3-propanediol|4-01-00-02812|Auxinutril|BRN 1679274|Charmor PM 15|Charmor PM 40|EINECS 204-104-9|Flammex DPE|Hercules P 6|Hercules P6|Maxinutril|Metab-Auxil|Methane tetramethylol|Monopentaerythritol|Monopentek|Neulizer P|NSC 8100|Penetek|pentaeritritol|PENTAERYTHRIT|Pentaerythrite|Pentarit|Pentarit S|PROPANE-1,3-DIOL, 2,2-BIS(HYDROXYMETHYL)-|Tetra(hydroxymethyl)methane|Tetrahydroxymethylmethane|Tetrakis(hydroxymethyl)methane|Tetramethylolmethane|UNII-SU420W1S6N|75398-86-6|88201-29-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026943
ARPathway2016 ARPathway2016_628 Pentaerythritol 115-77-5 DTXSID2026943 1.0 R6 AR Pathway Model, Antagonist Call Inactive Unitless OCC(CO)(CO)CO Pentaerythritol 115-77-5|Pentaerythritol|1,1,1-Tris(hydroxymethyl)ethanol|1,3-Propanediol, 2,2-bis(hydroxymethyl)-|2,2-Bis(hydroxymethyl)-1,3-dihydroxypropane|2,2-Bis(hydroxymethyl)-1,3-propanediol|4-01-00-02812|Auxinutril|BRN 1679274|Charmor PM 15|Charmor PM 40|EINECS 204-104-9|Flammex DPE|Hercules P 6|Hercules P6|Maxinutril|Metab-Auxil|Methane tetramethylol|Monopentaerythritol|Monopentek|Neulizer P|NSC 8100|Penetek|pentaeritritol|PENTAERYTHRIT|Pentaerythrite|Pentarit|Pentarit S|PROPANE-1,3-DIOL, 2,2-BIS(HYDROXYMETHYL)-|Tetra(hydroxymethyl)methane|Tetrahydroxymethylmethane|Tetrakis(hydroxymethyl)methane|Tetramethylolmethane|UNII-SU420W1S6N|75398-86-6|88201-29-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026943
ERPathway2016 ERPathway2016_713 Pentaerythritol 115-77-5 DTXSID2026943 A2 ER Pathway Model, Agonist Model Score 0 Unitless OCC(CO)(CO)CO Pentaerythritol 115-77-5|Pentaerythritol|1,1,1-Tris(hydroxymethyl)ethanol|1,3-Propanediol, 2,2-bis(hydroxymethyl)-|2,2-Bis(hydroxymethyl)-1,3-dihydroxypropane|2,2-Bis(hydroxymethyl)-1,3-propanediol|4-01-00-02812|Auxinutril|BRN 1679274|Charmor PM 15|Charmor PM 40|EINECS 204-104-9|Flammex DPE|Hercules P 6|Hercules P6|Maxinutril|Metab-Auxil|Methane tetramethylol|Monopentaerythritol|Monopentek|Neulizer P|NSC 8100|Penetek|pentaeritritol|PENTAERYTHRIT|Pentaerythrite|Pentarit|Pentarit S|PROPANE-1,3-DIOL, 2,2-BIS(HYDROXYMETHYL)-|Tetra(hydroxymethyl)methane|Tetrahydroxymethylmethane|Tetrakis(hydroxymethyl)methane|Tetramethylolmethane|UNII-SU420W1S6N|75398-86-6|88201-29-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026943
ERPathway2016 ERPathway2016_713 Pentaerythritol 115-77-5 DTXSID2026943 A2 ER Pathway Model, Antagonist Model Score 0 Unitless OCC(CO)(CO)CO Pentaerythritol 115-77-5|Pentaerythritol|1,1,1-Tris(hydroxymethyl)ethanol|1,3-Propanediol, 2,2-bis(hydroxymethyl)-|2,2-Bis(hydroxymethyl)-1,3-dihydroxypropane|2,2-Bis(hydroxymethyl)-1,3-propanediol|4-01-00-02812|Auxinutril|BRN 1679274|Charmor PM 15|Charmor PM 40|EINECS 204-104-9|Flammex DPE|Hercules P 6|Hercules P6|Maxinutril|Metab-Auxil|Methane tetramethylol|Monopentaerythritol|Monopentek|Neulizer P|NSC 8100|Penetek|pentaeritritol|PENTAERYTHRIT|Pentaerythrite|Pentarit|Pentarit S|PROPANE-1,3-DIOL, 2,2-BIS(HYDROXYMETHYL)-|Tetra(hydroxymethyl)methane|Tetrahydroxymethylmethane|Tetrakis(hydroxymethyl)methane|Tetramethylolmethane|UNII-SU420W1S6N|75398-86-6|88201-29-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026943
ERPathway2016 ERPathway2016_713 Pentaerythritol 115-77-5 DTXSID2026943 A2 ER Pathway Model, Agonist Call Inactive Unitless OCC(CO)(CO)CO Pentaerythritol 115-77-5|Pentaerythritol|1,1,1-Tris(hydroxymethyl)ethanol|1,3-Propanediol, 2,2-bis(hydroxymethyl)-|2,2-Bis(hydroxymethyl)-1,3-dihydroxypropane|2,2-Bis(hydroxymethyl)-1,3-propanediol|4-01-00-02812|Auxinutril|BRN 1679274|Charmor PM 15|Charmor PM 40|EINECS 204-104-9|Flammex DPE|Hercules P 6|Hercules P6|Maxinutril|Metab-Auxil|Methane tetramethylol|Monopentaerythritol|Monopentek|Neulizer P|NSC 8100|Penetek|pentaeritritol|PENTAERYTHRIT|Pentaerythrite|Pentarit|Pentarit S|PROPANE-1,3-DIOL, 2,2-BIS(HYDROXYMETHYL)-|Tetra(hydroxymethyl)methane|Tetrahydroxymethylmethane|Tetrakis(hydroxymethyl)methane|Tetramethylolmethane|UNII-SU420W1S6N|75398-86-6|88201-29-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026943
ERPathway2016 ERPathway2016_713 Pentaerythritol 115-77-5 DTXSID2026943 A2 ER Pathway Model, Antagonist Call Inactive Unitless OCC(CO)(CO)CO Pentaerythritol 115-77-5|Pentaerythritol|1,1,1-Tris(hydroxymethyl)ethanol|1,3-Propanediol, 2,2-bis(hydroxymethyl)-|2,2-Bis(hydroxymethyl)-1,3-dihydroxypropane|2,2-Bis(hydroxymethyl)-1,3-propanediol|4-01-00-02812|Auxinutril|BRN 1679274|Charmor PM 15|Charmor PM 40|EINECS 204-104-9|Flammex DPE|Hercules P 6|Hercules P6|Maxinutril|Metab-Auxil|Methane tetramethylol|Monopentaerythritol|Monopentek|Neulizer P|NSC 8100|Penetek|pentaeritritol|PENTAERYTHRIT|Pentaerythrite|Pentarit|Pentarit S|PROPANE-1,3-DIOL, 2,2-BIS(HYDROXYMETHYL)-|Tetra(hydroxymethyl)methane|Tetrahydroxymethylmethane|Tetrakis(hydroxymethyl)methane|Tetramethylolmethane|UNII-SU420W1S6N|75398-86-6|88201-29-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026943
ARPathway2016 ARPathway2016_1143 Pentaerythritol dibromide 3296-90-0 DTXSID9020164 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCC(CO)(CBr)CBr Pentaerythritol dibromide 3296-90-0|Pentaerythritol dibromide|1,3-Dibromo-2,2-bis(hydroxymethyl)propane|1,3-Dibromo-2,2-dihydroxymethylpropane|1,3-Dibromo-2,2-dimethylolpropane|1,3-Propanediol, 2,2-bis(2-bromomethyl)-|1,3-Propanediol, 2,2-bis(bromomethyl)-|2,2-Bis(2-bromomethyl)-1,3-propanediol|2,2-Bis(bromomethyl)-1,3-propanediol|2,2-Bis(bromomethyl)propane-1,3-diol|2,2-bis(bromomethyl)propanediol|2,2-Dibromomethyl-1,3-propanediol|4-01-00-02554|BRN 1304582|Dibromoneopentyl glycol|Dibromoneopentylglycol|Dibromopentaerythritol|EINECS 221-967-7|FR 1138|FR 522|NCI-C55516|NSC 9001|Pentaerythritol dibromohydrin|UNII-4ZHG182S25 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020164
ARPathway2016 ARPathway2016_1143 Pentaerythritol dibromide 3296-90-0 DTXSID9020164 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCC(CO)(CBr)CBr Pentaerythritol dibromide 3296-90-0|Pentaerythritol dibromide|1,3-Dibromo-2,2-bis(hydroxymethyl)propane|1,3-Dibromo-2,2-dihydroxymethylpropane|1,3-Dibromo-2,2-dimethylolpropane|1,3-Propanediol, 2,2-bis(2-bromomethyl)-|1,3-Propanediol, 2,2-bis(bromomethyl)-|2,2-Bis(2-bromomethyl)-1,3-propanediol|2,2-Bis(bromomethyl)-1,3-propanediol|2,2-Bis(bromomethyl)propane-1,3-diol|2,2-bis(bromomethyl)propanediol|2,2-Dibromomethyl-1,3-propanediol|4-01-00-02554|BRN 1304582|Dibromoneopentyl glycol|Dibromoneopentylglycol|Dibromopentaerythritol|EINECS 221-967-7|FR 1138|FR 522|NCI-C55516|NSC 9001|Pentaerythritol dibromohydrin|UNII-4ZHG182S25 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020164
ARPathway2016 ARPathway2016_1143 Pentaerythritol dibromide 3296-90-0 DTXSID9020164 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCC(CO)(CBr)CBr Pentaerythritol dibromide 3296-90-0|Pentaerythritol dibromide|1,3-Dibromo-2,2-bis(hydroxymethyl)propane|1,3-Dibromo-2,2-dihydroxymethylpropane|1,3-Dibromo-2,2-dimethylolpropane|1,3-Propanediol, 2,2-bis(2-bromomethyl)-|1,3-Propanediol, 2,2-bis(bromomethyl)-|2,2-Bis(2-bromomethyl)-1,3-propanediol|2,2-Bis(bromomethyl)-1,3-propanediol|2,2-Bis(bromomethyl)propane-1,3-diol|2,2-bis(bromomethyl)propanediol|2,2-Dibromomethyl-1,3-propanediol|4-01-00-02554|BRN 1304582|Dibromoneopentyl glycol|Dibromoneopentylglycol|Dibromopentaerythritol|EINECS 221-967-7|FR 1138|FR 522|NCI-C55516|NSC 9001|Pentaerythritol dibromohydrin|UNII-4ZHG182S25 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020164
ARPathway2016 ARPathway2016_1143 Pentaerythritol dibromide 3296-90-0 DTXSID9020164 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCC(CO)(CBr)CBr Pentaerythritol dibromide 3296-90-0|Pentaerythritol dibromide|1,3-Dibromo-2,2-bis(hydroxymethyl)propane|1,3-Dibromo-2,2-dihydroxymethylpropane|1,3-Dibromo-2,2-dimethylolpropane|1,3-Propanediol, 2,2-bis(2-bromomethyl)-|1,3-Propanediol, 2,2-bis(bromomethyl)-|2,2-Bis(2-bromomethyl)-1,3-propanediol|2,2-Bis(bromomethyl)-1,3-propanediol|2,2-Bis(bromomethyl)propane-1,3-diol|2,2-bis(bromomethyl)propanediol|2,2-Dibromomethyl-1,3-propanediol|4-01-00-02554|BRN 1304582|Dibromoneopentyl glycol|Dibromoneopentylglycol|Dibromopentaerythritol|EINECS 221-967-7|FR 1138|FR 522|NCI-C55516|NSC 9001|Pentaerythritol dibromohydrin|UNII-4ZHG182S25 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020164
ERPathway2016 ERPathway2016_1450 Pentaerythritol dibromide 3296-90-0 DTXSID9020164 ER Pathway Model, Agonist Model Score 0 Unitless OCC(CO)(CBr)CBr Pentaerythritol dibromide 3296-90-0|Pentaerythritol dibromide|1,3-Dibromo-2,2-bis(hydroxymethyl)propane|1,3-Dibromo-2,2-dihydroxymethylpropane|1,3-Dibromo-2,2-dimethylolpropane|1,3-Propanediol, 2,2-bis(2-bromomethyl)-|1,3-Propanediol, 2,2-bis(bromomethyl)-|2,2-Bis(2-bromomethyl)-1,3-propanediol|2,2-Bis(bromomethyl)-1,3-propanediol|2,2-Bis(bromomethyl)propane-1,3-diol|2,2-bis(bromomethyl)propanediol|2,2-Dibromomethyl-1,3-propanediol|4-01-00-02554|BRN 1304582|Dibromoneopentyl glycol|Dibromoneopentylglycol|Dibromopentaerythritol|EINECS 221-967-7|FR 1138|FR 522|NCI-C55516|NSC 9001|Pentaerythritol dibromohydrin|UNII-4ZHG182S25 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020164
ERPathway2016 ERPathway2016_1450 Pentaerythritol dibromide 3296-90-0 DTXSID9020164 ER Pathway Model, Antagonist Model Score 0 Unitless OCC(CO)(CBr)CBr Pentaerythritol dibromide 3296-90-0|Pentaerythritol dibromide|1,3-Dibromo-2,2-bis(hydroxymethyl)propane|1,3-Dibromo-2,2-dihydroxymethylpropane|1,3-Dibromo-2,2-dimethylolpropane|1,3-Propanediol, 2,2-bis(2-bromomethyl)-|1,3-Propanediol, 2,2-bis(bromomethyl)-|2,2-Bis(2-bromomethyl)-1,3-propanediol|2,2-Bis(bromomethyl)-1,3-propanediol|2,2-Bis(bromomethyl)propane-1,3-diol|2,2-bis(bromomethyl)propanediol|2,2-Dibromomethyl-1,3-propanediol|4-01-00-02554|BRN 1304582|Dibromoneopentyl glycol|Dibromoneopentylglycol|Dibromopentaerythritol|EINECS 221-967-7|FR 1138|FR 522|NCI-C55516|NSC 9001|Pentaerythritol dibromohydrin|UNII-4ZHG182S25 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020164
ERPathway2016 ERPathway2016_1450 Pentaerythritol dibromide 3296-90-0 DTXSID9020164 ER Pathway Model, Agonist Call Inactive Unitless OCC(CO)(CBr)CBr Pentaerythritol dibromide 3296-90-0|Pentaerythritol dibromide|1,3-Dibromo-2,2-bis(hydroxymethyl)propane|1,3-Dibromo-2,2-dihydroxymethylpropane|1,3-Dibromo-2,2-dimethylolpropane|1,3-Propanediol, 2,2-bis(2-bromomethyl)-|1,3-Propanediol, 2,2-bis(bromomethyl)-|2,2-Bis(2-bromomethyl)-1,3-propanediol|2,2-Bis(bromomethyl)-1,3-propanediol|2,2-Bis(bromomethyl)propane-1,3-diol|2,2-bis(bromomethyl)propanediol|2,2-Dibromomethyl-1,3-propanediol|4-01-00-02554|BRN 1304582|Dibromoneopentyl glycol|Dibromoneopentylglycol|Dibromopentaerythritol|EINECS 221-967-7|FR 1138|FR 522|NCI-C55516|NSC 9001|Pentaerythritol dibromohydrin|UNII-4ZHG182S25 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020164
ERPathway2016 ERPathway2016_1450 Pentaerythritol dibromide 3296-90-0 DTXSID9020164 ER Pathway Model, Antagonist Call Inactive Unitless OCC(CO)(CBr)CBr Pentaerythritol dibromide 3296-90-0|Pentaerythritol dibromide|1,3-Dibromo-2,2-bis(hydroxymethyl)propane|1,3-Dibromo-2,2-dihydroxymethylpropane|1,3-Dibromo-2,2-dimethylolpropane|1,3-Propanediol, 2,2-bis(2-bromomethyl)-|1,3-Propanediol, 2,2-bis(bromomethyl)-|2,2-Bis(2-bromomethyl)-1,3-propanediol|2,2-Bis(bromomethyl)-1,3-propanediol|2,2-Bis(bromomethyl)propane-1,3-diol|2,2-bis(bromomethyl)propanediol|2,2-Dibromomethyl-1,3-propanediol|4-01-00-02554|BRN 1304582|Dibromoneopentyl glycol|Dibromoneopentylglycol|Dibromopentaerythritol|EINECS 221-967-7|FR 1138|FR 522|NCI-C55516|NSC 9001|Pentaerythritol dibromohydrin|UNII-4ZHG182S25 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020164
ARPathway2016 ARPathway2016_1569 Pentaerythritol tetranitrate 78-11-5 DTXSID2023430 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O Pentaerythritol tetranitrate 78-11-5|Pentaerythritol tetranitrate|1,3-Dinitrato-2,2-bis(nitratomethyl)propane|1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, 1,3-dinitrate|1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester)|2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate|2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate ester|2,2-Bis(hydroxymethyl)-1,3-propanediol tetranitrate|2,2-Bisdihydroxymethyl-1,3-propanediol tetranitrate|3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate|4-01-00-02816|Angicap|Angitet|Arcotrate|Baritrate|BRN 1716886|Cardiacap|corpent|Deltrate 20|Deltrate-20|Dilcoran 80|Dilcoran-80|Dipentrate|Duotrate|EINECS 201-084-3|El PETN|Erynitum|Hasethrol|Kaytrate|Lentrat|Lowetrate|Martrate 45|Martrate-45|Metranil|Mikardol|Mycardol|Myotrate "10"|Myotrate 10|NCI-C55743|Neo-Corovas|Neopentanetetrayl nitrate|Niperyt|Niperyth|Nitrinal|Nitrinol|Nitro-Riletten|Nitrolong|Nitropent|Nitropenta|Nitropenta 7W|Nitropentaerythrite|Nitropentaerythritol|Nitropenton|Nitrotalans|Pen-Tetra|Pencard|PENT|pentaerithrityl tetranitrate|Pentaerithrityli tetranitras|Penta|103842-90-6|108736-71-6|53025-84-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023430 https://doi.org/10.22427/NTP-DATA-DTXSID2023430
ARPathway2016 ARPathway2016_1569 Pentaerythritol tetranitrate 78-11-5 DTXSID2023430 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O Pentaerythritol tetranitrate 78-11-5|Pentaerythritol tetranitrate|1,3-Dinitrato-2,2-bis(nitratomethyl)propane|1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, 1,3-dinitrate|1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester)|2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate|2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate ester|2,2-Bis(hydroxymethyl)-1,3-propanediol tetranitrate|2,2-Bisdihydroxymethyl-1,3-propanediol tetranitrate|3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate|4-01-00-02816|Angicap|Angitet|Arcotrate|Baritrate|BRN 1716886|Cardiacap|corpent|Deltrate 20|Deltrate-20|Dilcoran 80|Dilcoran-80|Dipentrate|Duotrate|EINECS 201-084-3|El PETN|Erynitum|Hasethrol|Kaytrate|Lentrat|Lowetrate|Martrate 45|Martrate-45|Metranil|Mikardol|Mycardol|Myotrate "10"|Myotrate 10|NCI-C55743|Neo-Corovas|Neopentanetetrayl nitrate|Niperyt|Niperyth|Nitrinal|Nitrinol|Nitro-Riletten|Nitrolong|Nitropent|Nitropenta|Nitropenta 7W|Nitropentaerythrite|Nitropentaerythritol|Nitropenton|Nitrotalans|Pen-Tetra|Pencard|PENT|pentaerithrityl tetranitrate|Pentaerithrityli tetranitras|Penta|103842-90-6|108736-71-6|53025-84-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023430 https://doi.org/10.22427/NTP-DATA-DTXSID2023430
ARPathway2016 ARPathway2016_1569 Pentaerythritol tetranitrate 78-11-5 DTXSID2023430 0.0 AR Pathway Model, Agonist Call Inactive Unitless [O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O Pentaerythritol tetranitrate 78-11-5|Pentaerythritol tetranitrate|1,3-Dinitrato-2,2-bis(nitratomethyl)propane|1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, 1,3-dinitrate|1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester)|2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate|2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate ester|2,2-Bis(hydroxymethyl)-1,3-propanediol tetranitrate|2,2-Bisdihydroxymethyl-1,3-propanediol tetranitrate|3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate|4-01-00-02816|Angicap|Angitet|Arcotrate|Baritrate|BRN 1716886|Cardiacap|corpent|Deltrate 20|Deltrate-20|Dilcoran 80|Dilcoran-80|Dipentrate|Duotrate|EINECS 201-084-3|El PETN|Erynitum|Hasethrol|Kaytrate|Lentrat|Lowetrate|Martrate 45|Martrate-45|Metranil|Mikardol|Mycardol|Myotrate "10"|Myotrate 10|NCI-C55743|Neo-Corovas|Neopentanetetrayl nitrate|Niperyt|Niperyth|Nitrinal|Nitrinol|Nitro-Riletten|Nitrolong|Nitropent|Nitropenta|Nitropenta 7W|Nitropentaerythrite|Nitropentaerythritol|Nitropenton|Nitrotalans|Pen-Tetra|Pencard|PENT|pentaerithrityl tetranitrate|Pentaerithrityli tetranitras|Penta|103842-90-6|108736-71-6|53025-84-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023430 https://doi.org/10.22427/NTP-DATA-DTXSID2023430
ARPathway2016 ARPathway2016_1569 Pentaerythritol tetranitrate 78-11-5 DTXSID2023430 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O Pentaerythritol tetranitrate 78-11-5|Pentaerythritol tetranitrate|1,3-Dinitrato-2,2-bis(nitratomethyl)propane|1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, 1,3-dinitrate|1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester)|2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate|2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate ester|2,2-Bis(hydroxymethyl)-1,3-propanediol tetranitrate|2,2-Bisdihydroxymethyl-1,3-propanediol tetranitrate|3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate|4-01-00-02816|Angicap|Angitet|Arcotrate|Baritrate|BRN 1716886|Cardiacap|corpent|Deltrate 20|Deltrate-20|Dilcoran 80|Dilcoran-80|Dipentrate|Duotrate|EINECS 201-084-3|El PETN|Erynitum|Hasethrol|Kaytrate|Lentrat|Lowetrate|Martrate 45|Martrate-45|Metranil|Mikardol|Mycardol|Myotrate "10"|Myotrate 10|NCI-C55743|Neo-Corovas|Neopentanetetrayl nitrate|Niperyt|Niperyth|Nitrinal|Nitrinol|Nitro-Riletten|Nitrolong|Nitropent|Nitropenta|Nitropenta 7W|Nitropentaerythrite|Nitropentaerythritol|Nitropenton|Nitrotalans|Pen-Tetra|Pencard|PENT|pentaerithrityl tetranitrate|Pentaerithrityli tetranitras|Penta|103842-90-6|108736-71-6|53025-84-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023430 https://doi.org/10.22427/NTP-DATA-DTXSID2023430
ERPathway2016 ERPathway2016_1005 Pentaerythritol tetranitrate 78-11-5 DTXSID2023430 ER Pathway Model, Agonist Model Score 0 Unitless [O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O Pentaerythritol tetranitrate 78-11-5|Pentaerythritol tetranitrate|1,3-Dinitrato-2,2-bis(nitratomethyl)propane|1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, 1,3-dinitrate|1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester)|2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate|2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate ester|2,2-Bis(hydroxymethyl)-1,3-propanediol tetranitrate|2,2-Bisdihydroxymethyl-1,3-propanediol tetranitrate|3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate|4-01-00-02816|Angicap|Angitet|Arcotrate|Baritrate|BRN 1716886|Cardiacap|corpent|Deltrate 20|Deltrate-20|Dilcoran 80|Dilcoran-80|Dipentrate|Duotrate|EINECS 201-084-3|El PETN|Erynitum|Hasethrol|Kaytrate|Lentrat|Lowetrate|Martrate 45|Martrate-45|Metranil|Mikardol|Mycardol|Myotrate "10"|Myotrate 10|NCI-C55743|Neo-Corovas|Neopentanetetrayl nitrate|Niperyt|Niperyth|Nitrinal|Nitrinol|Nitro-Riletten|Nitrolong|Nitropent|Nitropenta|Nitropenta 7W|Nitropentaerythrite|Nitropentaerythritol|Nitropenton|Nitrotalans|Pen-Tetra|Pencard|PENT|pentaerithrityl tetranitrate|Pentaerithrityli tetranitras|Penta|103842-90-6|108736-71-6|53025-84-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023430 https://doi.org/10.22427/NTP-DATA-DTXSID2023430
ERPathway2016 ERPathway2016_1005 Pentaerythritol tetranitrate 78-11-5 DTXSID2023430 ER Pathway Model, Antagonist Model Score 0 Unitless [O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O Pentaerythritol tetranitrate 78-11-5|Pentaerythritol tetranitrate|1,3-Dinitrato-2,2-bis(nitratomethyl)propane|1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, 1,3-dinitrate|1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester)|2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate|2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate ester|2,2-Bis(hydroxymethyl)-1,3-propanediol tetranitrate|2,2-Bisdihydroxymethyl-1,3-propanediol tetranitrate|3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate|4-01-00-02816|Angicap|Angitet|Arcotrate|Baritrate|BRN 1716886|Cardiacap|corpent|Deltrate 20|Deltrate-20|Dilcoran 80|Dilcoran-80|Dipentrate|Duotrate|EINECS 201-084-3|El PETN|Erynitum|Hasethrol|Kaytrate|Lentrat|Lowetrate|Martrate 45|Martrate-45|Metranil|Mikardol|Mycardol|Myotrate "10"|Myotrate 10|NCI-C55743|Neo-Corovas|Neopentanetetrayl nitrate|Niperyt|Niperyth|Nitrinal|Nitrinol|Nitro-Riletten|Nitrolong|Nitropent|Nitropenta|Nitropenta 7W|Nitropentaerythrite|Nitropentaerythritol|Nitropenton|Nitrotalans|Pen-Tetra|Pencard|PENT|pentaerithrityl tetranitrate|Pentaerithrityli tetranitras|Penta|103842-90-6|108736-71-6|53025-84-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023430 https://doi.org/10.22427/NTP-DATA-DTXSID2023430
ERPathway2016 ERPathway2016_1005 Pentaerythritol tetranitrate 78-11-5 DTXSID2023430 ER Pathway Model, Agonist Call Inactive Unitless [O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O Pentaerythritol tetranitrate 78-11-5|Pentaerythritol tetranitrate|1,3-Dinitrato-2,2-bis(nitratomethyl)propane|1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, 1,3-dinitrate|1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester)|2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate|2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate ester|2,2-Bis(hydroxymethyl)-1,3-propanediol tetranitrate|2,2-Bisdihydroxymethyl-1,3-propanediol tetranitrate|3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate|4-01-00-02816|Angicap|Angitet|Arcotrate|Baritrate|BRN 1716886|Cardiacap|corpent|Deltrate 20|Deltrate-20|Dilcoran 80|Dilcoran-80|Dipentrate|Duotrate|EINECS 201-084-3|El PETN|Erynitum|Hasethrol|Kaytrate|Lentrat|Lowetrate|Martrate 45|Martrate-45|Metranil|Mikardol|Mycardol|Myotrate "10"|Myotrate 10|NCI-C55743|Neo-Corovas|Neopentanetetrayl nitrate|Niperyt|Niperyth|Nitrinal|Nitrinol|Nitro-Riletten|Nitrolong|Nitropent|Nitropenta|Nitropenta 7W|Nitropentaerythrite|Nitropentaerythritol|Nitropenton|Nitrotalans|Pen-Tetra|Pencard|PENT|pentaerithrityl tetranitrate|Pentaerithrityli tetranitras|Penta|103842-90-6|108736-71-6|53025-84-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023430 https://doi.org/10.22427/NTP-DATA-DTXSID2023430
ERPathway2016 ERPathway2016_1005 Pentaerythritol tetranitrate 78-11-5 DTXSID2023430 ER Pathway Model, Antagonist Call Inactive Unitless [O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O Pentaerythritol tetranitrate 78-11-5|Pentaerythritol tetranitrate|1,3-Dinitrato-2,2-bis(nitratomethyl)propane|1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, 1,3-dinitrate|1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester)|2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate|2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate ester|2,2-Bis(hydroxymethyl)-1,3-propanediol tetranitrate|2,2-Bisdihydroxymethyl-1,3-propanediol tetranitrate|3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate|4-01-00-02816|Angicap|Angitet|Arcotrate|Baritrate|BRN 1716886|Cardiacap|corpent|Deltrate 20|Deltrate-20|Dilcoran 80|Dilcoran-80|Dipentrate|Duotrate|EINECS 201-084-3|El PETN|Erynitum|Hasethrol|Kaytrate|Lentrat|Lowetrate|Martrate 45|Martrate-45|Metranil|Mikardol|Mycardol|Myotrate "10"|Myotrate 10|NCI-C55743|Neo-Corovas|Neopentanetetrayl nitrate|Niperyt|Niperyth|Nitrinal|Nitrinol|Nitro-Riletten|Nitrolong|Nitropent|Nitropenta|Nitropenta 7W|Nitropentaerythrite|Nitropentaerythritol|Nitropenton|Nitrotalans|Pen-Tetra|Pencard|PENT|pentaerithrityl tetranitrate|Pentaerithrityli tetranitras|Penta|103842-90-6|108736-71-6|53025-84-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023430 https://doi.org/10.22427/NTP-DATA-DTXSID2023430
ARPathway2016 ARPathway2016_830 Pentamidine isethionate 140-64-7 DTXSID5023796 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1 Pentamidine isethionate 140-64-7|Pentamidine isethionate|[pentane-1,5-diylbis(oxy-4,1-phenylene)]bis(aminomethaniminium) bis(2-hydroxyethanesulfonate)|4,4'-(Pentamethylenedioxy)-dibenzamidine bis(2-hydroxyethanesulfonate)|4,4'-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate)|4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate)|4,4'-Diamidino-alpha,omega-diphenoxypentane isethionate|4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate)|Benzamidine, 4,4'-(pentamethylenedioxy)di-, bis(beta-hydroxyethanesulfonate)|Benzamidine, 4,4'-(pentamethylenedioxy)di-, diisethionate|Diamidine|EINECS 205-424-1|Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(1,5-pentanediylbis(oxy))bis(benzenecarboximidamide) (2:1)|Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(pentamethylenedioxy)dibenzamidine (2:1)|Lomidin|Lomidine|Lomidine isoethionate|Nebupent|p,p'-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate)|Pentacarinat|Pentamidine diisethionate|Pentamidine isethionate salt|Pneumopent|UNII-V2P3K60DA2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023796 https://doi.org/10.22427/NTP-DATA-DTXSID5023796
ARPathway2016 ARPathway2016_830 Pentamidine isethionate 140-64-7 DTXSID5023796 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1 Pentamidine isethionate 140-64-7|Pentamidine isethionate|[pentane-1,5-diylbis(oxy-4,1-phenylene)]bis(aminomethaniminium) bis(2-hydroxyethanesulfonate)|4,4'-(Pentamethylenedioxy)-dibenzamidine bis(2-hydroxyethanesulfonate)|4,4'-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate)|4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate)|4,4'-Diamidino-alpha,omega-diphenoxypentane isethionate|4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate)|Benzamidine, 4,4'-(pentamethylenedioxy)di-, bis(beta-hydroxyethanesulfonate)|Benzamidine, 4,4'-(pentamethylenedioxy)di-, diisethionate|Diamidine|EINECS 205-424-1|Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(1,5-pentanediylbis(oxy))bis(benzenecarboximidamide) (2:1)|Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(pentamethylenedioxy)dibenzamidine (2:1)|Lomidin|Lomidine|Lomidine isoethionate|Nebupent|p,p'-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate)|Pentacarinat|Pentamidine diisethionate|Pentamidine isethionate salt|Pneumopent|UNII-V2P3K60DA2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023796 https://doi.org/10.22427/NTP-DATA-DTXSID5023796
ARPathway2016 ARPathway2016_830 Pentamidine isethionate 140-64-7 DTXSID5023796 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1 Pentamidine isethionate 140-64-7|Pentamidine isethionate|[pentane-1,5-diylbis(oxy-4,1-phenylene)]bis(aminomethaniminium) bis(2-hydroxyethanesulfonate)|4,4'-(Pentamethylenedioxy)-dibenzamidine bis(2-hydroxyethanesulfonate)|4,4'-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate)|4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate)|4,4'-Diamidino-alpha,omega-diphenoxypentane isethionate|4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate)|Benzamidine, 4,4'-(pentamethylenedioxy)di-, bis(beta-hydroxyethanesulfonate)|Benzamidine, 4,4'-(pentamethylenedioxy)di-, diisethionate|Diamidine|EINECS 205-424-1|Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(1,5-pentanediylbis(oxy))bis(benzenecarboximidamide) (2:1)|Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(pentamethylenedioxy)dibenzamidine (2:1)|Lomidin|Lomidine|Lomidine isoethionate|Nebupent|p,p'-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate)|Pentacarinat|Pentamidine diisethionate|Pentamidine isethionate salt|Pneumopent|UNII-V2P3K60DA2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023796 https://doi.org/10.22427/NTP-DATA-DTXSID5023796
ARPathway2016 ARPathway2016_830 Pentamidine isethionate 140-64-7 DTXSID5023796 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1 Pentamidine isethionate 140-64-7|Pentamidine isethionate|[pentane-1,5-diylbis(oxy-4,1-phenylene)]bis(aminomethaniminium) bis(2-hydroxyethanesulfonate)|4,4'-(Pentamethylenedioxy)-dibenzamidine bis(2-hydroxyethanesulfonate)|4,4'-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate)|4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate)|4,4'-Diamidino-alpha,omega-diphenoxypentane isethionate|4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate)|Benzamidine, 4,4'-(pentamethylenedioxy)di-, bis(beta-hydroxyethanesulfonate)|Benzamidine, 4,4'-(pentamethylenedioxy)di-, diisethionate|Diamidine|EINECS 205-424-1|Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(1,5-pentanediylbis(oxy))bis(benzenecarboximidamide) (2:1)|Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(pentamethylenedioxy)dibenzamidine (2:1)|Lomidin|Lomidine|Lomidine isoethionate|Nebupent|p,p'-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate)|Pentacarinat|Pentamidine diisethionate|Pentamidine isethionate salt|Pneumopent|UNII-V2P3K60DA2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023796 https://doi.org/10.22427/NTP-DATA-DTXSID5023796
ERPathway2016 ERPathway2016_565 Pentamidine isethionate 140-64-7 DTXSID5023796 R9 ER Pathway Model, Agonist Model Score 0 Unitless OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1 Pentamidine isethionate 140-64-7|Pentamidine isethionate|[pentane-1,5-diylbis(oxy-4,1-phenylene)]bis(aminomethaniminium) bis(2-hydroxyethanesulfonate)|4,4'-(Pentamethylenedioxy)-dibenzamidine bis(2-hydroxyethanesulfonate)|4,4'-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate)|4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate)|4,4'-Diamidino-alpha,omega-diphenoxypentane isethionate|4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate)|Benzamidine, 4,4'-(pentamethylenedioxy)di-, bis(beta-hydroxyethanesulfonate)|Benzamidine, 4,4'-(pentamethylenedioxy)di-, diisethionate|Diamidine|EINECS 205-424-1|Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(1,5-pentanediylbis(oxy))bis(benzenecarboximidamide) (2:1)|Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(pentamethylenedioxy)dibenzamidine (2:1)|Lomidin|Lomidine|Lomidine isoethionate|Nebupent|p,p'-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate)|Pentacarinat|Pentamidine diisethionate|Pentamidine isethionate salt|Pneumopent|UNII-V2P3K60DA2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023796 https://doi.org/10.22427/NTP-DATA-DTXSID5023796
ERPathway2016 ERPathway2016_565 Pentamidine isethionate 140-64-7 DTXSID5023796 R9 ER Pathway Model, Antagonist Model Score 0 Unitless OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1 Pentamidine isethionate 140-64-7|Pentamidine isethionate|[pentane-1,5-diylbis(oxy-4,1-phenylene)]bis(aminomethaniminium) bis(2-hydroxyethanesulfonate)|4,4'-(Pentamethylenedioxy)-dibenzamidine bis(2-hydroxyethanesulfonate)|4,4'-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate)|4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate)|4,4'-Diamidino-alpha,omega-diphenoxypentane isethionate|4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate)|Benzamidine, 4,4'-(pentamethylenedioxy)di-, bis(beta-hydroxyethanesulfonate)|Benzamidine, 4,4'-(pentamethylenedioxy)di-, diisethionate|Diamidine|EINECS 205-424-1|Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(1,5-pentanediylbis(oxy))bis(benzenecarboximidamide) (2:1)|Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(pentamethylenedioxy)dibenzamidine (2:1)|Lomidin|Lomidine|Lomidine isoethionate|Nebupent|p,p'-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate)|Pentacarinat|Pentamidine diisethionate|Pentamidine isethionate salt|Pneumopent|UNII-V2P3K60DA2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023796 https://doi.org/10.22427/NTP-DATA-DTXSID5023796
ERPathway2016 ERPathway2016_565 Pentamidine isethionate 140-64-7 DTXSID5023796 R9 ER Pathway Model, Agonist Call Inactive Unitless OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1 Pentamidine isethionate 140-64-7|Pentamidine isethionate|[pentane-1,5-diylbis(oxy-4,1-phenylene)]bis(aminomethaniminium) bis(2-hydroxyethanesulfonate)|4,4'-(Pentamethylenedioxy)-dibenzamidine bis(2-hydroxyethanesulfonate)|4,4'-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate)|4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate)|4,4'-Diamidino-alpha,omega-diphenoxypentane isethionate|4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate)|Benzamidine, 4,4'-(pentamethylenedioxy)di-, bis(beta-hydroxyethanesulfonate)|Benzamidine, 4,4'-(pentamethylenedioxy)di-, diisethionate|Diamidine|EINECS 205-424-1|Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(1,5-pentanediylbis(oxy))bis(benzenecarboximidamide) (2:1)|Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(pentamethylenedioxy)dibenzamidine (2:1)|Lomidin|Lomidine|Lomidine isoethionate|Nebupent|p,p'-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate)|Pentacarinat|Pentamidine diisethionate|Pentamidine isethionate salt|Pneumopent|UNII-V2P3K60DA2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023796 https://doi.org/10.22427/NTP-DATA-DTXSID5023796
ERPathway2016 ERPathway2016_565 Pentamidine isethionate 140-64-7 DTXSID5023796 R9 ER Pathway Model, Antagonist Call Inactive Unitless OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1 Pentamidine isethionate 140-64-7|Pentamidine isethionate|[pentane-1,5-diylbis(oxy-4,1-phenylene)]bis(aminomethaniminium) bis(2-hydroxyethanesulfonate)|4,4'-(Pentamethylenedioxy)-dibenzamidine bis(2-hydroxyethanesulfonate)|4,4'-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate)|4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate)|4,4'-Diamidino-alpha,omega-diphenoxypentane isethionate|4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate)|Benzamidine, 4,4'-(pentamethylenedioxy)di-, bis(beta-hydroxyethanesulfonate)|Benzamidine, 4,4'-(pentamethylenedioxy)di-, diisethionate|Diamidine|EINECS 205-424-1|Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(1,5-pentanediylbis(oxy))bis(benzenecarboximidamide) (2:1)|Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(pentamethylenedioxy)dibenzamidine (2:1)|Lomidin|Lomidine|Lomidine isoethionate|Nebupent|p,p'-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate)|Pentacarinat|Pentamidine diisethionate|Pentamidine isethionate salt|Pneumopent|UNII-V2P3K60DA2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5023796 https://doi.org/10.22427/NTP-DATA-DTXSID5023796
ARPathway2016 ARPathway2016_547 Pentanal 110-62-3 DTXSID7021653 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC=O Pentanal 110-62-3|Pentanal|1-Pentanal|4-01-00-03268|AMYL ALDEHYDE|Amylaldehyde|BRN 1616304|Butyl formal|EINECS 203-784-4|FEMA 3098|FEMA No. 3098|FEMA Number 3098|N-C4H9CHO|n-Pentanal|n-Valeraldehyde|N-Valeraldehyde, 8CI|N-Valeric aldehyde|NSC 35404|Pentan-1-al|Pentanal (valeraldehyde)|Pentyl aldehyde|Pentylaldehyde|PNO|UN 2058|UNII-B975S3014W|Valeral|valeraldehido|Valeraldehyd|Valeraldehyde|Valeraldehyde [UN2058] [Flammable liquid]|Valerianic aldehyde|Valeric acid aldehyde|Valeric aldehyde|VALERIC-ALDEHYDE|Valeryl aldehyde|Valerylaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021653 https://doi.org/10.22427/NTP-DATA-DTXSID7021653
ARPathway2016 ARPathway2016_547 Pentanal 110-62-3 DTXSID7021653 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC=O Pentanal 110-62-3|Pentanal|1-Pentanal|4-01-00-03268|AMYL ALDEHYDE|Amylaldehyde|BRN 1616304|Butyl formal|EINECS 203-784-4|FEMA 3098|FEMA No. 3098|FEMA Number 3098|N-C4H9CHO|n-Pentanal|n-Valeraldehyde|N-Valeraldehyde, 8CI|N-Valeric aldehyde|NSC 35404|Pentan-1-al|Pentanal (valeraldehyde)|Pentyl aldehyde|Pentylaldehyde|PNO|UN 2058|UNII-B975S3014W|Valeral|valeraldehido|Valeraldehyd|Valeraldehyde|Valeraldehyde [UN2058] [Flammable liquid]|Valerianic aldehyde|Valeric acid aldehyde|Valeric aldehyde|VALERIC-ALDEHYDE|Valeryl aldehyde|Valerylaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021653 https://doi.org/10.22427/NTP-DATA-DTXSID7021653
ARPathway2016 ARPathway2016_547 Pentanal 110-62-3 DTXSID7021653 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC=O Pentanal 110-62-3|Pentanal|1-Pentanal|4-01-00-03268|AMYL ALDEHYDE|Amylaldehyde|BRN 1616304|Butyl formal|EINECS 203-784-4|FEMA 3098|FEMA No. 3098|FEMA Number 3098|N-C4H9CHO|n-Pentanal|n-Valeraldehyde|N-Valeraldehyde, 8CI|N-Valeric aldehyde|NSC 35404|Pentan-1-al|Pentanal (valeraldehyde)|Pentyl aldehyde|Pentylaldehyde|PNO|UN 2058|UNII-B975S3014W|Valeral|valeraldehido|Valeraldehyd|Valeraldehyde|Valeraldehyde [UN2058] [Flammable liquid]|Valerianic aldehyde|Valeric acid aldehyde|Valeric aldehyde|VALERIC-ALDEHYDE|Valeryl aldehyde|Valerylaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021653 https://doi.org/10.22427/NTP-DATA-DTXSID7021653
ARPathway2016 ARPathway2016_547 Pentanal 110-62-3 DTXSID7021653 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC=O Pentanal 110-62-3|Pentanal|1-Pentanal|4-01-00-03268|AMYL ALDEHYDE|Amylaldehyde|BRN 1616304|Butyl formal|EINECS 203-784-4|FEMA 3098|FEMA No. 3098|FEMA Number 3098|N-C4H9CHO|n-Pentanal|n-Valeraldehyde|N-Valeraldehyde, 8CI|N-Valeric aldehyde|NSC 35404|Pentan-1-al|Pentanal (valeraldehyde)|Pentyl aldehyde|Pentylaldehyde|PNO|UN 2058|UNII-B975S3014W|Valeral|valeraldehido|Valeraldehyd|Valeraldehyde|Valeraldehyde [UN2058] [Flammable liquid]|Valerianic aldehyde|Valeric acid aldehyde|Valeric aldehyde|VALERIC-ALDEHYDE|Valeryl aldehyde|Valerylaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021653 https://doi.org/10.22427/NTP-DATA-DTXSID7021653
ERPathway2016 ERPathway2016_968 Pentanal 110-62-3 DTXSID7021653 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC=O Pentanal 110-62-3|Pentanal|1-Pentanal|4-01-00-03268|AMYL ALDEHYDE|Amylaldehyde|BRN 1616304|Butyl formal|EINECS 203-784-4|FEMA 3098|FEMA No. 3098|FEMA Number 3098|N-C4H9CHO|n-Pentanal|n-Valeraldehyde|N-Valeraldehyde, 8CI|N-Valeric aldehyde|NSC 35404|Pentan-1-al|Pentanal (valeraldehyde)|Pentyl aldehyde|Pentylaldehyde|PNO|UN 2058|UNII-B975S3014W|Valeral|valeraldehido|Valeraldehyd|Valeraldehyde|Valeraldehyde [UN2058] [Flammable liquid]|Valerianic aldehyde|Valeric acid aldehyde|Valeric aldehyde|VALERIC-ALDEHYDE|Valeryl aldehyde|Valerylaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021653 https://doi.org/10.22427/NTP-DATA-DTXSID7021653
ERPathway2016 ERPathway2016_968 Pentanal 110-62-3 DTXSID7021653 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC=O Pentanal 110-62-3|Pentanal|1-Pentanal|4-01-00-03268|AMYL ALDEHYDE|Amylaldehyde|BRN 1616304|Butyl formal|EINECS 203-784-4|FEMA 3098|FEMA No. 3098|FEMA Number 3098|N-C4H9CHO|n-Pentanal|n-Valeraldehyde|N-Valeraldehyde, 8CI|N-Valeric aldehyde|NSC 35404|Pentan-1-al|Pentanal (valeraldehyde)|Pentyl aldehyde|Pentylaldehyde|PNO|UN 2058|UNII-B975S3014W|Valeral|valeraldehido|Valeraldehyd|Valeraldehyde|Valeraldehyde [UN2058] [Flammable liquid]|Valerianic aldehyde|Valeric acid aldehyde|Valeric aldehyde|VALERIC-ALDEHYDE|Valeryl aldehyde|Valerylaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021653 https://doi.org/10.22427/NTP-DATA-DTXSID7021653
ERPathway2016 ERPathway2016_968 Pentanal 110-62-3 DTXSID7021653 ER Pathway Model, Agonist Call Inactive Unitless CCCCC=O Pentanal 110-62-3|Pentanal|1-Pentanal|4-01-00-03268|AMYL ALDEHYDE|Amylaldehyde|BRN 1616304|Butyl formal|EINECS 203-784-4|FEMA 3098|FEMA No. 3098|FEMA Number 3098|N-C4H9CHO|n-Pentanal|n-Valeraldehyde|N-Valeraldehyde, 8CI|N-Valeric aldehyde|NSC 35404|Pentan-1-al|Pentanal (valeraldehyde)|Pentyl aldehyde|Pentylaldehyde|PNO|UN 2058|UNII-B975S3014W|Valeral|valeraldehido|Valeraldehyd|Valeraldehyde|Valeraldehyde [UN2058] [Flammable liquid]|Valerianic aldehyde|Valeric acid aldehyde|Valeric aldehyde|VALERIC-ALDEHYDE|Valeryl aldehyde|Valerylaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021653 https://doi.org/10.22427/NTP-DATA-DTXSID7021653
ERPathway2016 ERPathway2016_968 Pentanal 110-62-3 DTXSID7021653 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC=O Pentanal 110-62-3|Pentanal|1-Pentanal|4-01-00-03268|AMYL ALDEHYDE|Amylaldehyde|BRN 1616304|Butyl formal|EINECS 203-784-4|FEMA 3098|FEMA No. 3098|FEMA Number 3098|N-C4H9CHO|n-Pentanal|n-Valeraldehyde|N-Valeraldehyde, 8CI|N-Valeric aldehyde|NSC 35404|Pentan-1-al|Pentanal (valeraldehyde)|Pentyl aldehyde|Pentylaldehyde|PNO|UN 2058|UNII-B975S3014W|Valeral|valeraldehido|Valeraldehyd|Valeraldehyde|Valeraldehyde [UN2058] [Flammable liquid]|Valerianic aldehyde|Valeric acid aldehyde|Valeric aldehyde|VALERIC-ALDEHYDE|Valeryl aldehyde|Valerylaldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021653 https://doi.org/10.22427/NTP-DATA-DTXSID7021653
ARPathway2016 ARPathway2016_1457 Pentane-1,5-diyl dibenzoate 6624-73-3 DTXSID5047538 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C(OCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Pentane-1,5-diyl dibenzoate 6624-73-3|Pentane-1,5-diyl dibenzoate|1,5-PENTANDIYLDIBENZOAT https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047538
ARPathway2016 ARPathway2016_1457 Pentane-1,5-diyl dibenzoate 6624-73-3 DTXSID5047538 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C(OCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Pentane-1,5-diyl dibenzoate 6624-73-3|Pentane-1,5-diyl dibenzoate|1,5-PENTANDIYLDIBENZOAT https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047538
ARPathway2016 ARPathway2016_1457 Pentane-1,5-diyl dibenzoate 6624-73-3 DTXSID5047538 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C(OCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Pentane-1,5-diyl dibenzoate 6624-73-3|Pentane-1,5-diyl dibenzoate|1,5-PENTANDIYLDIBENZOAT https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047538
ARPathway2016 ARPathway2016_1457 Pentane-1,5-diyl dibenzoate 6624-73-3 DTXSID5047538 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C(OCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Pentane-1,5-diyl dibenzoate 6624-73-3|Pentane-1,5-diyl dibenzoate|1,5-PENTANDIYLDIBENZOAT https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047538
ERPathway2016 ERPathway2016_811 Pentane-1,5-diyl dibenzoate 6624-73-3 DTXSID5047538 ER Pathway Model, Agonist Model Score 0 Unitless O=C(OCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Pentane-1,5-diyl dibenzoate 6624-73-3|Pentane-1,5-diyl dibenzoate|1,5-PENTANDIYLDIBENZOAT https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047538
ERPathway2016 ERPathway2016_811 Pentane-1,5-diyl dibenzoate 6624-73-3 DTXSID5047538 ER Pathway Model, Antagonist Model Score 0 Unitless O=C(OCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Pentane-1,5-diyl dibenzoate 6624-73-3|Pentane-1,5-diyl dibenzoate|1,5-PENTANDIYLDIBENZOAT https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047538
ERPathway2016 ERPathway2016_811 Pentane-1,5-diyl dibenzoate 6624-73-3 DTXSID5047538 ER Pathway Model, Agonist Call Inactive Unitless O=C(OCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Pentane-1,5-diyl dibenzoate 6624-73-3|Pentane-1,5-diyl dibenzoate|1,5-PENTANDIYLDIBENZOAT https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047538
ERPathway2016 ERPathway2016_811 Pentane-1,5-diyl dibenzoate 6624-73-3 DTXSID5047538 ER Pathway Model, Antagonist Call Inactive Unitless O=C(OCCCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 Pentane-1,5-diyl dibenzoate 6624-73-3|Pentane-1,5-diyl dibenzoate|1,5-PENTANDIYLDIBENZOAT https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047538
ARPathway2016 ARPathway2016_529 Pentanoic acid 109-52-4 DTXSID7021655 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(O)=O Pentanoic acid 109-52-4|Pentanoic acid|1-Butanecarboxylate|1-Butanecarboxylic acid|1-Pentanoate|1-Pentanoic acid|4-02-00-00868|Acide valerique|acido valerico|BRN 0969454|Butanecarboxylate|Butanecarboxylic acid|CH3-[CH2]3-COOH|DTXSID7021655|EINECS 203-677-2|FEMA No. 3101|Kyselina valerova|n-BuCOOH|N-C4H9COOH|n-Pentanoic acid|N-Valerate|N-VALERIANSAEURE|n-Valeric acid|NSC 406833|Pentanoate|Pentoate|pentoic acid|Propylacetate|Propylacetic acid|UNII-GZK92PJM7B|Valerianate|Valerianic acid|VALERIANIC ACID, C5|Valeriansaeure|Valeriansaure|Valeric acid|Valeric acid normal|VALERIC ACID, N-|12124-87-7|2243145-76-6|2486087-46-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021655
ARPathway2016 ARPathway2016_529 Pentanoic acid 109-52-4 DTXSID7021655 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(O)=O Pentanoic acid 109-52-4|Pentanoic acid|1-Butanecarboxylate|1-Butanecarboxylic acid|1-Pentanoate|1-Pentanoic acid|4-02-00-00868|Acide valerique|acido valerico|BRN 0969454|Butanecarboxylate|Butanecarboxylic acid|CH3-[CH2]3-COOH|DTXSID7021655|EINECS 203-677-2|FEMA No. 3101|Kyselina valerova|n-BuCOOH|N-C4H9COOH|n-Pentanoic acid|N-Valerate|N-VALERIANSAEURE|n-Valeric acid|NSC 406833|Pentanoate|Pentoate|pentoic acid|Propylacetate|Propylacetic acid|UNII-GZK92PJM7B|Valerianate|Valerianic acid|VALERIANIC ACID, C5|Valeriansaeure|Valeriansaure|Valeric acid|Valeric acid normal|VALERIC ACID, N-|12124-87-7|2243145-76-6|2486087-46-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021655
ARPathway2016 ARPathway2016_529 Pentanoic acid 109-52-4 DTXSID7021655 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(O)=O Pentanoic acid 109-52-4|Pentanoic acid|1-Butanecarboxylate|1-Butanecarboxylic acid|1-Pentanoate|1-Pentanoic acid|4-02-00-00868|Acide valerique|acido valerico|BRN 0969454|Butanecarboxylate|Butanecarboxylic acid|CH3-[CH2]3-COOH|DTXSID7021655|EINECS 203-677-2|FEMA No. 3101|Kyselina valerova|n-BuCOOH|N-C4H9COOH|n-Pentanoic acid|N-Valerate|N-VALERIANSAEURE|n-Valeric acid|NSC 406833|Pentanoate|Pentoate|pentoic acid|Propylacetate|Propylacetic acid|UNII-GZK92PJM7B|Valerianate|Valerianic acid|VALERIANIC ACID, C5|Valeriansaeure|Valeriansaure|Valeric acid|Valeric acid normal|VALERIC ACID, N-|12124-87-7|2243145-76-6|2486087-46-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021655
ARPathway2016 ARPathway2016_529 Pentanoic acid 109-52-4 DTXSID7021655 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(O)=O Pentanoic acid 109-52-4|Pentanoic acid|1-Butanecarboxylate|1-Butanecarboxylic acid|1-Pentanoate|1-Pentanoic acid|4-02-00-00868|Acide valerique|acido valerico|BRN 0969454|Butanecarboxylate|Butanecarboxylic acid|CH3-[CH2]3-COOH|DTXSID7021655|EINECS 203-677-2|FEMA No. 3101|Kyselina valerova|n-BuCOOH|N-C4H9COOH|n-Pentanoic acid|N-Valerate|N-VALERIANSAEURE|n-Valeric acid|NSC 406833|Pentanoate|Pentoate|pentoic acid|Propylacetate|Propylacetic acid|UNII-GZK92PJM7B|Valerianate|Valerianic acid|VALERIANIC ACID, C5|Valeriansaeure|Valeriansaure|Valeric acid|Valeric acid normal|VALERIC ACID, N-|12124-87-7|2243145-76-6|2486087-46-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021655
ERPathway2016 ERPathway2016_1124 Pentanoic acid 109-52-4 DTXSID7021655 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(O)=O Pentanoic acid 109-52-4|Pentanoic acid|1-Butanecarboxylate|1-Butanecarboxylic acid|1-Pentanoate|1-Pentanoic acid|4-02-00-00868|Acide valerique|acido valerico|BRN 0969454|Butanecarboxylate|Butanecarboxylic acid|CH3-[CH2]3-COOH|DTXSID7021655|EINECS 203-677-2|FEMA No. 3101|Kyselina valerova|n-BuCOOH|N-C4H9COOH|n-Pentanoic acid|N-Valerate|N-VALERIANSAEURE|n-Valeric acid|NSC 406833|Pentanoate|Pentoate|pentoic acid|Propylacetate|Propylacetic acid|UNII-GZK92PJM7B|Valerianate|Valerianic acid|VALERIANIC ACID, C5|Valeriansaeure|Valeriansaure|Valeric acid|Valeric acid normal|VALERIC ACID, N-|12124-87-7|2243145-76-6|2486087-46-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021655
ERPathway2016 ERPathway2016_1124 Pentanoic acid 109-52-4 DTXSID7021655 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(O)=O Pentanoic acid 109-52-4|Pentanoic acid|1-Butanecarboxylate|1-Butanecarboxylic acid|1-Pentanoate|1-Pentanoic acid|4-02-00-00868|Acide valerique|acido valerico|BRN 0969454|Butanecarboxylate|Butanecarboxylic acid|CH3-[CH2]3-COOH|DTXSID7021655|EINECS 203-677-2|FEMA No. 3101|Kyselina valerova|n-BuCOOH|N-C4H9COOH|n-Pentanoic acid|N-Valerate|N-VALERIANSAEURE|n-Valeric acid|NSC 406833|Pentanoate|Pentoate|pentoic acid|Propylacetate|Propylacetic acid|UNII-GZK92PJM7B|Valerianate|Valerianic acid|VALERIANIC ACID, C5|Valeriansaeure|Valeriansaure|Valeric acid|Valeric acid normal|VALERIC ACID, N-|12124-87-7|2243145-76-6|2486087-46-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021655
ERPathway2016 ERPathway2016_1124 Pentanoic acid 109-52-4 DTXSID7021655 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(O)=O Pentanoic acid 109-52-4|Pentanoic acid|1-Butanecarboxylate|1-Butanecarboxylic acid|1-Pentanoate|1-Pentanoic acid|4-02-00-00868|Acide valerique|acido valerico|BRN 0969454|Butanecarboxylate|Butanecarboxylic acid|CH3-[CH2]3-COOH|DTXSID7021655|EINECS 203-677-2|FEMA No. 3101|Kyselina valerova|n-BuCOOH|N-C4H9COOH|n-Pentanoic acid|N-Valerate|N-VALERIANSAEURE|n-Valeric acid|NSC 406833|Pentanoate|Pentoate|pentoic acid|Propylacetate|Propylacetic acid|UNII-GZK92PJM7B|Valerianate|Valerianic acid|VALERIANIC ACID, C5|Valeriansaeure|Valeriansaure|Valeric acid|Valeric acid normal|VALERIC ACID, N-|12124-87-7|2243145-76-6|2486087-46-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021655
ERPathway2016 ERPathway2016_1124 Pentanoic acid 109-52-4 DTXSID7021655 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(O)=O Pentanoic acid 109-52-4|Pentanoic acid|1-Butanecarboxylate|1-Butanecarboxylic acid|1-Pentanoate|1-Pentanoic acid|4-02-00-00868|Acide valerique|acido valerico|BRN 0969454|Butanecarboxylate|Butanecarboxylic acid|CH3-[CH2]3-COOH|DTXSID7021655|EINECS 203-677-2|FEMA No. 3101|Kyselina valerova|n-BuCOOH|N-C4H9COOH|n-Pentanoic acid|N-Valerate|N-VALERIANSAEURE|n-Valeric acid|NSC 406833|Pentanoate|Pentoate|pentoic acid|Propylacetate|Propylacetic acid|UNII-GZK92PJM7B|Valerianate|Valerianic acid|VALERIANIC ACID, C5|Valeriansaeure|Valeriansaure|Valeric acid|Valeric acid normal|VALERIC ACID, N-|12124-87-7|2243145-76-6|2486087-46-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021655
ARPathway2016 ARPathway2016_1422 Pentyl acetate 628-63-7 DTXSID1027263 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCOC(C)=O Pentyl acetate 628-63-7|Pentyl acetate|1-Acetoxypentane|1-Pentanol acetate|1-Pentanol, acetate|1-Pentyl acetate|4-02-00-00152|Acetate d'amyle|Acetate de pentyle|ACETATE, N-AMYL|acetato de pentilo|Acetic acid N-amyl ester|Acetic acid, 1-pentyl ester|Acetic acid, amyl ester|Acetic acid, N-pentyl ester|Acetic acid, pentyl ester|Amyl acetate|Amyl acetic ester|Amyl acetic ether|Amylazetat|Amylester kyseliny octove|Birnenoel|BRN 1744753|Caswell No. 049A|Dymon SWH Wasp & Hornet Spray|EINECS 211-047-3|EPA Pesticide Chemical Code 000169|ESSIGSAEURE-AMYLESTER|Holiday Pet Repellent|Holiday Repellent Dust|m-Amyl acetate|n-Amyl acetate|n-Amyl acetate, normal|n-Amyl ethanoate|n-Pentyl acetate|n-Pentyl ethanoate|NSC 7923|Octan amylu|Pent-acetate|Pent-acetate 28|Pentyl ethanoate|Pentylacetat|Prim-amyl acetate|Primary amyl acetate|UNII-92Q24NH7AS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027263
ARPathway2016 ARPathway2016_1422 Pentyl acetate 628-63-7 DTXSID1027263 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCOC(C)=O Pentyl acetate 628-63-7|Pentyl acetate|1-Acetoxypentane|1-Pentanol acetate|1-Pentanol, acetate|1-Pentyl acetate|4-02-00-00152|Acetate d'amyle|Acetate de pentyle|ACETATE, N-AMYL|acetato de pentilo|Acetic acid N-amyl ester|Acetic acid, 1-pentyl ester|Acetic acid, amyl ester|Acetic acid, N-pentyl ester|Acetic acid, pentyl ester|Amyl acetate|Amyl acetic ester|Amyl acetic ether|Amylazetat|Amylester kyseliny octove|Birnenoel|BRN 1744753|Caswell No. 049A|Dymon SWH Wasp & Hornet Spray|EINECS 211-047-3|EPA Pesticide Chemical Code 000169|ESSIGSAEURE-AMYLESTER|Holiday Pet Repellent|Holiday Repellent Dust|m-Amyl acetate|n-Amyl acetate|n-Amyl acetate, normal|n-Amyl ethanoate|n-Pentyl acetate|n-Pentyl ethanoate|NSC 7923|Octan amylu|Pent-acetate|Pent-acetate 28|Pentyl ethanoate|Pentylacetat|Prim-amyl acetate|Primary amyl acetate|UNII-92Q24NH7AS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027263
ARPathway2016 ARPathway2016_1422 Pentyl acetate 628-63-7 DTXSID1027263 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCOC(C)=O Pentyl acetate 628-63-7|Pentyl acetate|1-Acetoxypentane|1-Pentanol acetate|1-Pentanol, acetate|1-Pentyl acetate|4-02-00-00152|Acetate d'amyle|Acetate de pentyle|ACETATE, N-AMYL|acetato de pentilo|Acetic acid N-amyl ester|Acetic acid, 1-pentyl ester|Acetic acid, amyl ester|Acetic acid, N-pentyl ester|Acetic acid, pentyl ester|Amyl acetate|Amyl acetic ester|Amyl acetic ether|Amylazetat|Amylester kyseliny octove|Birnenoel|BRN 1744753|Caswell No. 049A|Dymon SWH Wasp & Hornet Spray|EINECS 211-047-3|EPA Pesticide Chemical Code 000169|ESSIGSAEURE-AMYLESTER|Holiday Pet Repellent|Holiday Repellent Dust|m-Amyl acetate|n-Amyl acetate|n-Amyl acetate, normal|n-Amyl ethanoate|n-Pentyl acetate|n-Pentyl ethanoate|NSC 7923|Octan amylu|Pent-acetate|Pent-acetate 28|Pentyl ethanoate|Pentylacetat|Prim-amyl acetate|Primary amyl acetate|UNII-92Q24NH7AS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027263
ARPathway2016 ARPathway2016_1422 Pentyl acetate 628-63-7 DTXSID1027263 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCOC(C)=O Pentyl acetate 628-63-7|Pentyl acetate|1-Acetoxypentane|1-Pentanol acetate|1-Pentanol, acetate|1-Pentyl acetate|4-02-00-00152|Acetate d'amyle|Acetate de pentyle|ACETATE, N-AMYL|acetato de pentilo|Acetic acid N-amyl ester|Acetic acid, 1-pentyl ester|Acetic acid, amyl ester|Acetic acid, N-pentyl ester|Acetic acid, pentyl ester|Amyl acetate|Amyl acetic ester|Amyl acetic ether|Amylazetat|Amylester kyseliny octove|Birnenoel|BRN 1744753|Caswell No. 049A|Dymon SWH Wasp & Hornet Spray|EINECS 211-047-3|EPA Pesticide Chemical Code 000169|ESSIGSAEURE-AMYLESTER|Holiday Pet Repellent|Holiday Repellent Dust|m-Amyl acetate|n-Amyl acetate|n-Amyl acetate, normal|n-Amyl ethanoate|n-Pentyl acetate|n-Pentyl ethanoate|NSC 7923|Octan amylu|Pent-acetate|Pent-acetate 28|Pentyl ethanoate|Pentylacetat|Prim-amyl acetate|Primary amyl acetate|UNII-92Q24NH7AS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027263
ERPathway2016 ERPathway2016_1585 Pentyl acetate 628-63-7 DTXSID1027263 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCOC(C)=O Pentyl acetate 628-63-7|Pentyl acetate|1-Acetoxypentane|1-Pentanol acetate|1-Pentanol, acetate|1-Pentyl acetate|4-02-00-00152|Acetate d'amyle|Acetate de pentyle|ACETATE, N-AMYL|acetato de pentilo|Acetic acid N-amyl ester|Acetic acid, 1-pentyl ester|Acetic acid, amyl ester|Acetic acid, N-pentyl ester|Acetic acid, pentyl ester|Amyl acetate|Amyl acetic ester|Amyl acetic ether|Amylazetat|Amylester kyseliny octove|Birnenoel|BRN 1744753|Caswell No. 049A|Dymon SWH Wasp & Hornet Spray|EINECS 211-047-3|EPA Pesticide Chemical Code 000169|ESSIGSAEURE-AMYLESTER|Holiday Pet Repellent|Holiday Repellent Dust|m-Amyl acetate|n-Amyl acetate|n-Amyl acetate, normal|n-Amyl ethanoate|n-Pentyl acetate|n-Pentyl ethanoate|NSC 7923|Octan amylu|Pent-acetate|Pent-acetate 28|Pentyl ethanoate|Pentylacetat|Prim-amyl acetate|Primary amyl acetate|UNII-92Q24NH7AS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027263
ERPathway2016 ERPathway2016_1585 Pentyl acetate 628-63-7 DTXSID1027263 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCOC(C)=O Pentyl acetate 628-63-7|Pentyl acetate|1-Acetoxypentane|1-Pentanol acetate|1-Pentanol, acetate|1-Pentyl acetate|4-02-00-00152|Acetate d'amyle|Acetate de pentyle|ACETATE, N-AMYL|acetato de pentilo|Acetic acid N-amyl ester|Acetic acid, 1-pentyl ester|Acetic acid, amyl ester|Acetic acid, N-pentyl ester|Acetic acid, pentyl ester|Amyl acetate|Amyl acetic ester|Amyl acetic ether|Amylazetat|Amylester kyseliny octove|Birnenoel|BRN 1744753|Caswell No. 049A|Dymon SWH Wasp & Hornet Spray|EINECS 211-047-3|EPA Pesticide Chemical Code 000169|ESSIGSAEURE-AMYLESTER|Holiday Pet Repellent|Holiday Repellent Dust|m-Amyl acetate|n-Amyl acetate|n-Amyl acetate, normal|n-Amyl ethanoate|n-Pentyl acetate|n-Pentyl ethanoate|NSC 7923|Octan amylu|Pent-acetate|Pent-acetate 28|Pentyl ethanoate|Pentylacetat|Prim-amyl acetate|Primary amyl acetate|UNII-92Q24NH7AS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027263
ERPathway2016 ERPathway2016_1585 Pentyl acetate 628-63-7 DTXSID1027263 ER Pathway Model, Agonist Call Inactive Unitless CCCCCOC(C)=O Pentyl acetate 628-63-7|Pentyl acetate|1-Acetoxypentane|1-Pentanol acetate|1-Pentanol, acetate|1-Pentyl acetate|4-02-00-00152|Acetate d'amyle|Acetate de pentyle|ACETATE, N-AMYL|acetato de pentilo|Acetic acid N-amyl ester|Acetic acid, 1-pentyl ester|Acetic acid, amyl ester|Acetic acid, N-pentyl ester|Acetic acid, pentyl ester|Amyl acetate|Amyl acetic ester|Amyl acetic ether|Amylazetat|Amylester kyseliny octove|Birnenoel|BRN 1744753|Caswell No. 049A|Dymon SWH Wasp & Hornet Spray|EINECS 211-047-3|EPA Pesticide Chemical Code 000169|ESSIGSAEURE-AMYLESTER|Holiday Pet Repellent|Holiday Repellent Dust|m-Amyl acetate|n-Amyl acetate|n-Amyl acetate, normal|n-Amyl ethanoate|n-Pentyl acetate|n-Pentyl ethanoate|NSC 7923|Octan amylu|Pent-acetate|Pent-acetate 28|Pentyl ethanoate|Pentylacetat|Prim-amyl acetate|Primary amyl acetate|UNII-92Q24NH7AS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027263
ERPathway2016 ERPathway2016_1585 Pentyl acetate 628-63-7 DTXSID1027263 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCOC(C)=O Pentyl acetate 628-63-7|Pentyl acetate|1-Acetoxypentane|1-Pentanol acetate|1-Pentanol, acetate|1-Pentyl acetate|4-02-00-00152|Acetate d'amyle|Acetate de pentyle|ACETATE, N-AMYL|acetato de pentilo|Acetic acid N-amyl ester|Acetic acid, 1-pentyl ester|Acetic acid, amyl ester|Acetic acid, N-pentyl ester|Acetic acid, pentyl ester|Amyl acetate|Amyl acetic ester|Amyl acetic ether|Amylazetat|Amylester kyseliny octove|Birnenoel|BRN 1744753|Caswell No. 049A|Dymon SWH Wasp & Hornet Spray|EINECS 211-047-3|EPA Pesticide Chemical Code 000169|ESSIGSAEURE-AMYLESTER|Holiday Pet Repellent|Holiday Repellent Dust|m-Amyl acetate|n-Amyl acetate|n-Amyl acetate, normal|n-Amyl ethanoate|n-Pentyl acetate|n-Pentyl ethanoate|NSC 7923|Octan amylu|Pent-acetate|Pent-acetate 28|Pentyl ethanoate|Pentylacetat|Prim-amyl acetate|Primary amyl acetate|UNII-92Q24NH7AS https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027263
ARPathway2016 ARPathway2016_1596 Peppermint oil 8006-90-4 DTXSID6021113 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Peppermint oil 8006-90-4|Peppermint oil|BT Mint 995888|EC No.: 616-900-7|English black mint oil|Essences de menthe poivree|Essential oils, Mentha piperita|Essential oils, peppermint|Essential peppermint oil|FEMA No. 2848|Mentha Piperita (Peppermint) Leaf Water|Mentha piperita leaf oil|Mentha piperita oil|Mentharil|Oil of peppermint|Oils Peppermint|Oils, essential, peppermint|Oils, Mentha piperita|Oils, peppermint|Pepperment oil|Peppermint American Far West Bulked|Peppermint American Willamette Natural|Peppermint Indian Rectified|Peppermint leaf oil|Peppermint oleoresin/extract (Mentha piperita L.)|Peppermint terpenes|Pfefferminz oel|PFEFFERMINZOEL|UNII-AV092KU4JH https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021113
ARPathway2016 ARPathway2016_1596 Peppermint oil 8006-90-4 DTXSID6021113 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Peppermint oil 8006-90-4|Peppermint oil|BT Mint 995888|EC No.: 616-900-7|English black mint oil|Essences de menthe poivree|Essential oils, Mentha piperita|Essential oils, peppermint|Essential peppermint oil|FEMA No. 2848|Mentha Piperita (Peppermint) Leaf Water|Mentha piperita leaf oil|Mentha piperita oil|Mentharil|Oil of peppermint|Oils Peppermint|Oils, essential, peppermint|Oils, Mentha piperita|Oils, peppermint|Pepperment oil|Peppermint American Far West Bulked|Peppermint American Willamette Natural|Peppermint Indian Rectified|Peppermint leaf oil|Peppermint oleoresin/extract (Mentha piperita L.)|Peppermint terpenes|Pfefferminz oel|PFEFFERMINZOEL|UNII-AV092KU4JH https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021113
ARPathway2016 ARPathway2016_1596 Peppermint oil 8006-90-4 DTXSID6021113 0.0 AR Pathway Model, Agonist Call Inactive Unitless Peppermint oil 8006-90-4|Peppermint oil|BT Mint 995888|EC No.: 616-900-7|English black mint oil|Essences de menthe poivree|Essential oils, Mentha piperita|Essential oils, peppermint|Essential peppermint oil|FEMA No. 2848|Mentha Piperita (Peppermint) Leaf Water|Mentha piperita leaf oil|Mentha piperita oil|Mentharil|Oil of peppermint|Oils Peppermint|Oils, essential, peppermint|Oils, Mentha piperita|Oils, peppermint|Pepperment oil|Peppermint American Far West Bulked|Peppermint American Willamette Natural|Peppermint Indian Rectified|Peppermint leaf oil|Peppermint oleoresin/extract (Mentha piperita L.)|Peppermint terpenes|Pfefferminz oel|PFEFFERMINZOEL|UNII-AV092KU4JH https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021113
ARPathway2016 ARPathway2016_1596 Peppermint oil 8006-90-4 DTXSID6021113 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Peppermint oil 8006-90-4|Peppermint oil|BT Mint 995888|EC No.: 616-900-7|English black mint oil|Essences de menthe poivree|Essential oils, Mentha piperita|Essential oils, peppermint|Essential peppermint oil|FEMA No. 2848|Mentha Piperita (Peppermint) Leaf Water|Mentha piperita leaf oil|Mentha piperita oil|Mentharil|Oil of peppermint|Oils Peppermint|Oils, essential, peppermint|Oils, Mentha piperita|Oils, peppermint|Pepperment oil|Peppermint American Far West Bulked|Peppermint American Willamette Natural|Peppermint Indian Rectified|Peppermint leaf oil|Peppermint oleoresin/extract (Mentha piperita L.)|Peppermint terpenes|Pfefferminz oel|PFEFFERMINZOEL|UNII-AV092KU4JH https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021113
ERPathway2016 ERPathway2016_408 Peppermint oil 8006-90-4 DTXSID6021113 ER Pathway Model, Antagonist AC50 33.5252100339392 uM Peppermint oil 8006-90-4|Peppermint oil|BT Mint 995888|EC No.: 616-900-7|English black mint oil|Essences de menthe poivree|Essential oils, Mentha piperita|Essential oils, peppermint|Essential peppermint oil|FEMA No. 2848|Mentha Piperita (Peppermint) Leaf Water|Mentha piperita leaf oil|Mentha piperita oil|Mentharil|Oil of peppermint|Oils Peppermint|Oils, essential, peppermint|Oils, Mentha piperita|Oils, peppermint|Pepperment oil|Peppermint American Far West Bulked|Peppermint American Willamette Natural|Peppermint Indian Rectified|Peppermint leaf oil|Peppermint oleoresin/extract (Mentha piperita L.)|Peppermint terpenes|Pfefferminz oel|PFEFFERMINZOEL|UNII-AV092KU4JH https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021113
ERPathway2016 ERPathway2016_408 Peppermint oil 8006-90-4 DTXSID6021113 ER Pathway Model, Antagonist ACC 67.2663767739755 uM Peppermint oil 8006-90-4|Peppermint oil|BT Mint 995888|EC No.: 616-900-7|English black mint oil|Essences de menthe poivree|Essential oils, Mentha piperita|Essential oils, peppermint|Essential peppermint oil|FEMA No. 2848|Mentha Piperita (Peppermint) Leaf Water|Mentha piperita leaf oil|Mentha piperita oil|Mentharil|Oil of peppermint|Oils Peppermint|Oils, essential, peppermint|Oils, Mentha piperita|Oils, peppermint|Pepperment oil|Peppermint American Far West Bulked|Peppermint American Willamette Natural|Peppermint Indian Rectified|Peppermint leaf oil|Peppermint oleoresin/extract (Mentha piperita L.)|Peppermint terpenes|Pfefferminz oel|PFEFFERMINZOEL|UNII-AV092KU4JH https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021113
ERPathway2016 ERPathway2016_408 Peppermint oil 8006-90-4 DTXSID6021113 ER Pathway Model, Agonist Model Score 0.00851 Unitless Peppermint oil 8006-90-4|Peppermint oil|BT Mint 995888|EC No.: 616-900-7|English black mint oil|Essences de menthe poivree|Essential oils, Mentha piperita|Essential oils, peppermint|Essential peppermint oil|FEMA No. 2848|Mentha Piperita (Peppermint) Leaf Water|Mentha piperita leaf oil|Mentha piperita oil|Mentharil|Oil of peppermint|Oils Peppermint|Oils, essential, peppermint|Oils, Mentha piperita|Oils, peppermint|Pepperment oil|Peppermint American Far West Bulked|Peppermint American Willamette Natural|Peppermint Indian Rectified|Peppermint leaf oil|Peppermint oleoresin/extract (Mentha piperita L.)|Peppermint terpenes|Pfefferminz oel|PFEFFERMINZOEL|UNII-AV092KU4JH https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021113
ERPathway2016 ERPathway2016_408 Peppermint oil 8006-90-4 DTXSID6021113 ER Pathway Model, Antagonist Model Score 0 Unitless Peppermint oil 8006-90-4|Peppermint oil|BT Mint 995888|EC No.: 616-900-7|English black mint oil|Essences de menthe poivree|Essential oils, Mentha piperita|Essential oils, peppermint|Essential peppermint oil|FEMA No. 2848|Mentha Piperita (Peppermint) Leaf Water|Mentha piperita leaf oil|Mentha piperita oil|Mentharil|Oil of peppermint|Oils Peppermint|Oils, essential, peppermint|Oils, Mentha piperita|Oils, peppermint|Pepperment oil|Peppermint American Far West Bulked|Peppermint American Willamette Natural|Peppermint Indian Rectified|Peppermint leaf oil|Peppermint oleoresin/extract (Mentha piperita L.)|Peppermint terpenes|Pfefferminz oel|PFEFFERMINZOEL|UNII-AV092KU4JH https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021113
ERPathway2016 ERPathway2016_408 Peppermint oil 8006-90-4 DTXSID6021113 ER Pathway Model, Agonist Call Inactive Unitless Peppermint oil 8006-90-4|Peppermint oil|BT Mint 995888|EC No.: 616-900-7|English black mint oil|Essences de menthe poivree|Essential oils, Mentha piperita|Essential oils, peppermint|Essential peppermint oil|FEMA No. 2848|Mentha Piperita (Peppermint) Leaf Water|Mentha piperita leaf oil|Mentha piperita oil|Mentharil|Oil of peppermint|Oils Peppermint|Oils, essential, peppermint|Oils, Mentha piperita|Oils, peppermint|Pepperment oil|Peppermint American Far West Bulked|Peppermint American Willamette Natural|Peppermint Indian Rectified|Peppermint leaf oil|Peppermint oleoresin/extract (Mentha piperita L.)|Peppermint terpenes|Pfefferminz oel|PFEFFERMINZOEL|UNII-AV092KU4JH https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021113
ERPathway2016 ERPathway2016_408 Peppermint oil 8006-90-4 DTXSID6021113 ER Pathway Model, Antagonist Call Active Unitless Peppermint oil 8006-90-4|Peppermint oil|BT Mint 995888|EC No.: 616-900-7|English black mint oil|Essences de menthe poivree|Essential oils, Mentha piperita|Essential oils, peppermint|Essential peppermint oil|FEMA No. 2848|Mentha Piperita (Peppermint) Leaf Water|Mentha piperita leaf oil|Mentha piperita oil|Mentharil|Oil of peppermint|Oils Peppermint|Oils, essential, peppermint|Oils, Mentha piperita|Oils, peppermint|Pepperment oil|Peppermint American Far West Bulked|Peppermint American Willamette Natural|Peppermint Indian Rectified|Peppermint leaf oil|Peppermint oleoresin/extract (Mentha piperita L.)|Peppermint terpenes|Pfefferminz oel|PFEFFERMINZOEL|UNII-AV092KU4JH https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021113
ARPathway2016 ARPathway2016_1153 Perfluorodecanoic acid 335-76-2 DTXSID3031860 0.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorodecanoic acid 335-76-2|Perfluorodecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluorodecanoic acid|206-400-3|4-02-00-01052|acide nonadecafluorodecanoique|acido nonadecafluorodecanoico|BRN 1810811|Decanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 10- nonadecafluoro-|Decanoic acid, nonadecafluoro-|EC No.: 206-400-3|EINECS 206-400-3|Ndfda|Nonadecafluordecansaeure|nonadecafluoro-n-decanoic acid|Nonadecafluorodecanoic acid|Perfluoro-1-nonanecarboxylic acid|perfluoro-n-decanoic acid|Perfluorocapric acid|PFDA https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031860 https://doi.org/10.22427/NTP-DATA-DTXSID3031860
ARPathway2016 ARPathway2016_1153 Perfluorodecanoic acid 335-76-2 DTXSID3031860 0.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorodecanoic acid 335-76-2|Perfluorodecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluorodecanoic acid|206-400-3|4-02-00-01052|acide nonadecafluorodecanoique|acido nonadecafluorodecanoico|BRN 1810811|Decanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 10- nonadecafluoro-|Decanoic acid, nonadecafluoro-|EC No.: 206-400-3|EINECS 206-400-3|Ndfda|Nonadecafluordecansaeure|nonadecafluoro-n-decanoic acid|Nonadecafluorodecanoic acid|Perfluoro-1-nonanecarboxylic acid|perfluoro-n-decanoic acid|Perfluorocapric acid|PFDA https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031860 https://doi.org/10.22427/NTP-DATA-DTXSID3031860
ARPathway2016 ARPathway2016_1153 Perfluorodecanoic acid 335-76-2 DTXSID3031860 0.0 A3 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorodecanoic acid 335-76-2|Perfluorodecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluorodecanoic acid|206-400-3|4-02-00-01052|acide nonadecafluorodecanoique|acido nonadecafluorodecanoico|BRN 1810811|Decanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 10- nonadecafluoro-|Decanoic acid, nonadecafluoro-|EC No.: 206-400-3|EINECS 206-400-3|Ndfda|Nonadecafluordecansaeure|nonadecafluoro-n-decanoic acid|Nonadecafluorodecanoic acid|Perfluoro-1-nonanecarboxylic acid|perfluoro-n-decanoic acid|Perfluorocapric acid|PFDA https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031860 https://doi.org/10.22427/NTP-DATA-DTXSID3031860
ARPathway2016 ARPathway2016_1153 Perfluorodecanoic acid 335-76-2 DTXSID3031860 0.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorodecanoic acid 335-76-2|Perfluorodecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluorodecanoic acid|206-400-3|4-02-00-01052|acide nonadecafluorodecanoique|acido nonadecafluorodecanoico|BRN 1810811|Decanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 10- nonadecafluoro-|Decanoic acid, nonadecafluoro-|EC No.: 206-400-3|EINECS 206-400-3|Ndfda|Nonadecafluordecansaeure|nonadecafluoro-n-decanoic acid|Nonadecafluorodecanoic acid|Perfluoro-1-nonanecarboxylic acid|perfluoro-n-decanoic acid|Perfluorocapric acid|PFDA https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031860 https://doi.org/10.22427/NTP-DATA-DTXSID3031860
ERPathway2016 ERPathway2016_543 Perfluorodecanoic acid 335-76-2 DTXSID3031860 A17 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorodecanoic acid 335-76-2|Perfluorodecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluorodecanoic acid|206-400-3|4-02-00-01052|acide nonadecafluorodecanoique|acido nonadecafluorodecanoico|BRN 1810811|Decanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 10- nonadecafluoro-|Decanoic acid, nonadecafluoro-|EC No.: 206-400-3|EINECS 206-400-3|Ndfda|Nonadecafluordecansaeure|nonadecafluoro-n-decanoic acid|Nonadecafluorodecanoic acid|Perfluoro-1-nonanecarboxylic acid|perfluoro-n-decanoic acid|Perfluorocapric acid|PFDA https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031860 https://doi.org/10.22427/NTP-DATA-DTXSID3031860
ERPathway2016 ERPathway2016_543 Perfluorodecanoic acid 335-76-2 DTXSID3031860 A17 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorodecanoic acid 335-76-2|Perfluorodecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluorodecanoic acid|206-400-3|4-02-00-01052|acide nonadecafluorodecanoique|acido nonadecafluorodecanoico|BRN 1810811|Decanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 10- nonadecafluoro-|Decanoic acid, nonadecafluoro-|EC No.: 206-400-3|EINECS 206-400-3|Ndfda|Nonadecafluordecansaeure|nonadecafluoro-n-decanoic acid|Nonadecafluorodecanoic acid|Perfluoro-1-nonanecarboxylic acid|perfluoro-n-decanoic acid|Perfluorocapric acid|PFDA https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031860 https://doi.org/10.22427/NTP-DATA-DTXSID3031860
ERPathway2016 ERPathway2016_543 Perfluorodecanoic acid 335-76-2 DTXSID3031860 A17 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorodecanoic acid 335-76-2|Perfluorodecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluorodecanoic acid|206-400-3|4-02-00-01052|acide nonadecafluorodecanoique|acido nonadecafluorodecanoico|BRN 1810811|Decanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 10- nonadecafluoro-|Decanoic acid, nonadecafluoro-|EC No.: 206-400-3|EINECS 206-400-3|Ndfda|Nonadecafluordecansaeure|nonadecafluoro-n-decanoic acid|Nonadecafluorodecanoic acid|Perfluoro-1-nonanecarboxylic acid|perfluoro-n-decanoic acid|Perfluorocapric acid|PFDA https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031860 https://doi.org/10.22427/NTP-DATA-DTXSID3031860
ERPathway2016 ERPathway2016_543 Perfluorodecanoic acid 335-76-2 DTXSID3031860 A17 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorodecanoic acid 335-76-2|Perfluorodecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluorodecanoic acid|206-400-3|4-02-00-01052|acide nonadecafluorodecanoique|acido nonadecafluorodecanoico|BRN 1810811|Decanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 10- nonadecafluoro-|Decanoic acid, nonadecafluoro-|EC No.: 206-400-3|EINECS 206-400-3|Ndfda|Nonadecafluordecansaeure|nonadecafluoro-n-decanoic acid|Nonadecafluorodecanoic acid|Perfluoro-1-nonanecarboxylic acid|perfluoro-n-decanoic acid|Perfluorocapric acid|PFDA https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031860 https://doi.org/10.22427/NTP-DATA-DTXSID3031860
ARPathway2016 ARPathway2016_1178 Perfluoroheptanoic acid 375-85-9 DTXSID1037303 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluoroheptanoic acid 375-85-9|Perfluoroheptanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptanoic acid|206-798-9|Acide perfluoroheptanoique|acido perfluoroheptanoico|EC No.: 206-798-9|EINECS 206-798-9|Heptanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 7- tridecafluoro-|Heptanoic acid, tridecafluoro-|Perfluorheptansaure|perfluoro-n-heptanoic acid|Perfluoroenanthic acid|perfluoroheptanoic acid|PFHpA|tridecafluoro-1-heptanoic acid|Tridecafluoroheptanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID1037303
ARPathway2016 ARPathway2016_1178 Perfluoroheptanoic acid 375-85-9 DTXSID1037303 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluoroheptanoic acid 375-85-9|Perfluoroheptanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptanoic acid|206-798-9|Acide perfluoroheptanoique|acido perfluoroheptanoico|EC No.: 206-798-9|EINECS 206-798-9|Heptanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 7- tridecafluoro-|Heptanoic acid, tridecafluoro-|Perfluorheptansaure|perfluoro-n-heptanoic acid|Perfluoroenanthic acid|perfluoroheptanoic acid|PFHpA|tridecafluoro-1-heptanoic acid|Tridecafluoroheptanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID1037303
ARPathway2016 ARPathway2016_1178 Perfluoroheptanoic acid 375-85-9 DTXSID1037303 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluoroheptanoic acid 375-85-9|Perfluoroheptanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptanoic acid|206-798-9|Acide perfluoroheptanoique|acido perfluoroheptanoico|EC No.: 206-798-9|EINECS 206-798-9|Heptanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 7- tridecafluoro-|Heptanoic acid, tridecafluoro-|Perfluorheptansaure|perfluoro-n-heptanoic acid|Perfluoroenanthic acid|perfluoroheptanoic acid|PFHpA|tridecafluoro-1-heptanoic acid|Tridecafluoroheptanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID1037303
ARPathway2016 ARPathway2016_1178 Perfluoroheptanoic acid 375-85-9 DTXSID1037303 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluoroheptanoic acid 375-85-9|Perfluoroheptanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptanoic acid|206-798-9|Acide perfluoroheptanoique|acido perfluoroheptanoico|EC No.: 206-798-9|EINECS 206-798-9|Heptanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 7- tridecafluoro-|Heptanoic acid, tridecafluoro-|Perfluorheptansaure|perfluoro-n-heptanoic acid|Perfluoroenanthic acid|perfluoroheptanoic acid|PFHpA|tridecafluoro-1-heptanoic acid|Tridecafluoroheptanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID1037303
ERPathway2016 ERPathway2016_1025 Perfluoroheptanoic acid 375-85-9 DTXSID1037303 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluoroheptanoic acid 375-85-9|Perfluoroheptanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptanoic acid|206-798-9|Acide perfluoroheptanoique|acido perfluoroheptanoico|EC No.: 206-798-9|EINECS 206-798-9|Heptanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 7- tridecafluoro-|Heptanoic acid, tridecafluoro-|Perfluorheptansaure|perfluoro-n-heptanoic acid|Perfluoroenanthic acid|perfluoroheptanoic acid|PFHpA|tridecafluoro-1-heptanoic acid|Tridecafluoroheptanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID1037303
ERPathway2016 ERPathway2016_1025 Perfluoroheptanoic acid 375-85-9 DTXSID1037303 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluoroheptanoic acid 375-85-9|Perfluoroheptanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptanoic acid|206-798-9|Acide perfluoroheptanoique|acido perfluoroheptanoico|EC No.: 206-798-9|EINECS 206-798-9|Heptanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 7- tridecafluoro-|Heptanoic acid, tridecafluoro-|Perfluorheptansaure|perfluoro-n-heptanoic acid|Perfluoroenanthic acid|perfluoroheptanoic acid|PFHpA|tridecafluoro-1-heptanoic acid|Tridecafluoroheptanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID1037303
ERPathway2016 ERPathway2016_1025 Perfluoroheptanoic acid 375-85-9 DTXSID1037303 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluoroheptanoic acid 375-85-9|Perfluoroheptanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptanoic acid|206-798-9|Acide perfluoroheptanoique|acido perfluoroheptanoico|EC No.: 206-798-9|EINECS 206-798-9|Heptanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 7- tridecafluoro-|Heptanoic acid, tridecafluoro-|Perfluorheptansaure|perfluoro-n-heptanoic acid|Perfluoroenanthic acid|perfluoroheptanoic acid|PFHpA|tridecafluoro-1-heptanoic acid|Tridecafluoroheptanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID1037303
ERPathway2016 ERPathway2016_1025 Perfluoroheptanoic acid 375-85-9 DTXSID1037303 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluoroheptanoic acid 375-85-9|Perfluoroheptanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptanoic acid|206-798-9|Acide perfluoroheptanoique|acido perfluoroheptanoico|EC No.: 206-798-9|EINECS 206-798-9|Heptanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 7- tridecafluoro-|Heptanoic acid, tridecafluoro-|Perfluorheptansaure|perfluoro-n-heptanoic acid|Perfluoroenanthic acid|perfluoroheptanoic acid|PFHpA|tridecafluoro-1-heptanoic acid|Tridecafluoroheptanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID1037303
ARPathway2016 ARPathway2016_1131 Perfluorohexanoic acid 307-24-4 DTXSID3031862 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorohexanoic acid 307-24-4|Perfluorohexanoic acid|2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexanoic acid|EINECS 206-196-6|Hexanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6- undecafluoro-|Hexanoic acid, undecafluoro-|NSC 5213|Perfluoro-1-pentanecarboxylic acid|Perfluoro-n-hexanoic acid|PFHxA|Undecafluoro-1-hexanoic acid|Undecafluorocaproic acid|Undecafluorohexanoic acid|UNII-ZP34Q2220R https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031862 https://doi.org/10.22427/NTP-DATA-DTXSID3031862
ARPathway2016 ARPathway2016_1131 Perfluorohexanoic acid 307-24-4 DTXSID3031862 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorohexanoic acid 307-24-4|Perfluorohexanoic acid|2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexanoic acid|EINECS 206-196-6|Hexanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6- undecafluoro-|Hexanoic acid, undecafluoro-|NSC 5213|Perfluoro-1-pentanecarboxylic acid|Perfluoro-n-hexanoic acid|PFHxA|Undecafluoro-1-hexanoic acid|Undecafluorocaproic acid|Undecafluorohexanoic acid|UNII-ZP34Q2220R https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031862 https://doi.org/10.22427/NTP-DATA-DTXSID3031862
ARPathway2016 ARPathway2016_1131 Perfluorohexanoic acid 307-24-4 DTXSID3031862 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorohexanoic acid 307-24-4|Perfluorohexanoic acid|2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexanoic acid|EINECS 206-196-6|Hexanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6- undecafluoro-|Hexanoic acid, undecafluoro-|NSC 5213|Perfluoro-1-pentanecarboxylic acid|Perfluoro-n-hexanoic acid|PFHxA|Undecafluoro-1-hexanoic acid|Undecafluorocaproic acid|Undecafluorohexanoic acid|UNII-ZP34Q2220R https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031862 https://doi.org/10.22427/NTP-DATA-DTXSID3031862
ARPathway2016 ARPathway2016_1131 Perfluorohexanoic acid 307-24-4 DTXSID3031862 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorohexanoic acid 307-24-4|Perfluorohexanoic acid|2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexanoic acid|EINECS 206-196-6|Hexanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6- undecafluoro-|Hexanoic acid, undecafluoro-|NSC 5213|Perfluoro-1-pentanecarboxylic acid|Perfluoro-n-hexanoic acid|PFHxA|Undecafluoro-1-hexanoic acid|Undecafluorocaproic acid|Undecafluorohexanoic acid|UNII-ZP34Q2220R https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031862 https://doi.org/10.22427/NTP-DATA-DTXSID3031862
ERPathway2016 ERPathway2016_1446 Perfluorohexanoic acid 307-24-4 DTXSID3031862 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorohexanoic acid 307-24-4|Perfluorohexanoic acid|2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexanoic acid|EINECS 206-196-6|Hexanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6- undecafluoro-|Hexanoic acid, undecafluoro-|NSC 5213|Perfluoro-1-pentanecarboxylic acid|Perfluoro-n-hexanoic acid|PFHxA|Undecafluoro-1-hexanoic acid|Undecafluorocaproic acid|Undecafluorohexanoic acid|UNII-ZP34Q2220R https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031862 https://doi.org/10.22427/NTP-DATA-DTXSID3031862
ERPathway2016 ERPathway2016_1446 Perfluorohexanoic acid 307-24-4 DTXSID3031862 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorohexanoic acid 307-24-4|Perfluorohexanoic acid|2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexanoic acid|EINECS 206-196-6|Hexanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6- undecafluoro-|Hexanoic acid, undecafluoro-|NSC 5213|Perfluoro-1-pentanecarboxylic acid|Perfluoro-n-hexanoic acid|PFHxA|Undecafluoro-1-hexanoic acid|Undecafluorocaproic acid|Undecafluorohexanoic acid|UNII-ZP34Q2220R https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031862 https://doi.org/10.22427/NTP-DATA-DTXSID3031862
ERPathway2016 ERPathway2016_1446 Perfluorohexanoic acid 307-24-4 DTXSID3031862 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorohexanoic acid 307-24-4|Perfluorohexanoic acid|2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexanoic acid|EINECS 206-196-6|Hexanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6- undecafluoro-|Hexanoic acid, undecafluoro-|NSC 5213|Perfluoro-1-pentanecarboxylic acid|Perfluoro-n-hexanoic acid|PFHxA|Undecafluoro-1-hexanoic acid|Undecafluorocaproic acid|Undecafluorohexanoic acid|UNII-ZP34Q2220R https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031862 https://doi.org/10.22427/NTP-DATA-DTXSID3031862
ERPathway2016 ERPathway2016_1446 Perfluorohexanoic acid 307-24-4 DTXSID3031862 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorohexanoic acid 307-24-4|Perfluorohexanoic acid|2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexanoic acid|EINECS 206-196-6|Hexanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6- undecafluoro-|Hexanoic acid, undecafluoro-|NSC 5213|Perfluoro-1-pentanecarboxylic acid|Perfluoro-n-hexanoic acid|PFHxA|Undecafluoro-1-hexanoic acid|Undecafluorocaproic acid|Undecafluorohexanoic acid|UNII-ZP34Q2220R https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031862 https://doi.org/10.22427/NTP-DATA-DTXSID3031862
ARPathway2016 ARPathway2016_1179 Perfluorononanoic acid 375-95-1 DTXSID8031863 0.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorononanoic acid 375-95-1|Perfluorononanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanoic acid|206-801-3|C 1800|EC No.: 206-801-3|EINECS 206-801-3|Heptadecafluornonansaeure|Heptadecafluorononanoic acid|Heptadekafluornonansaeure|Nonanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 9- heptadecafluoro-|Nonanoic acid, heptadecafluoro-|Perfluornonansaeure|perfluoro-n-nonanoic acid|perfluorononan-1-oic acid|perfluorononanoic acid|Perfluorononanoic acid (PFNA)|Perfluoropelargonic acid|PFNA|UNII-5830Z6S63M https://comptox.epa.gov/dashboard/chemical/details/DTXSID8031863 https://doi.org/10.22427/NTP-DATA-DTXSID8031863
ARPathway2016 ARPathway2016_1179 Perfluorononanoic acid 375-95-1 DTXSID8031863 0.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorononanoic acid 375-95-1|Perfluorononanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanoic acid|206-801-3|C 1800|EC No.: 206-801-3|EINECS 206-801-3|Heptadecafluornonansaeure|Heptadecafluorononanoic acid|Heptadekafluornonansaeure|Nonanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 9- heptadecafluoro-|Nonanoic acid, heptadecafluoro-|Perfluornonansaeure|perfluoro-n-nonanoic acid|perfluorononan-1-oic acid|perfluorononanoic acid|Perfluorononanoic acid (PFNA)|Perfluoropelargonic acid|PFNA|UNII-5830Z6S63M https://comptox.epa.gov/dashboard/chemical/details/DTXSID8031863 https://doi.org/10.22427/NTP-DATA-DTXSID8031863
ARPathway2016 ARPathway2016_1179 Perfluorononanoic acid 375-95-1 DTXSID8031863 0.0 A3 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorononanoic acid 375-95-1|Perfluorononanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanoic acid|206-801-3|C 1800|EC No.: 206-801-3|EINECS 206-801-3|Heptadecafluornonansaeure|Heptadecafluorononanoic acid|Heptadekafluornonansaeure|Nonanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 9- heptadecafluoro-|Nonanoic acid, heptadecafluoro-|Perfluornonansaeure|perfluoro-n-nonanoic acid|perfluorononan-1-oic acid|perfluorononanoic acid|Perfluorononanoic acid (PFNA)|Perfluoropelargonic acid|PFNA|UNII-5830Z6S63M https://comptox.epa.gov/dashboard/chemical/details/DTXSID8031863 https://doi.org/10.22427/NTP-DATA-DTXSID8031863
ARPathway2016 ARPathway2016_1179 Perfluorononanoic acid 375-95-1 DTXSID8031863 0.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorononanoic acid 375-95-1|Perfluorononanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanoic acid|206-801-3|C 1800|EC No.: 206-801-3|EINECS 206-801-3|Heptadecafluornonansaeure|Heptadecafluorononanoic acid|Heptadekafluornonansaeure|Nonanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 9- heptadecafluoro-|Nonanoic acid, heptadecafluoro-|Perfluornonansaeure|perfluoro-n-nonanoic acid|perfluorononan-1-oic acid|perfluorononanoic acid|Perfluorononanoic acid (PFNA)|Perfluoropelargonic acid|PFNA|UNII-5830Z6S63M https://comptox.epa.gov/dashboard/chemical/details/DTXSID8031863 https://doi.org/10.22427/NTP-DATA-DTXSID8031863
ERPathway2016 ERPathway2016_28 Perfluorononanoic acid 375-95-1 DTXSID8031863 A3 ER Pathway Model, Agonist AC50 3.99759078441946 uM OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorononanoic acid 375-95-1|Perfluorononanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanoic acid|206-801-3|C 1800|EC No.: 206-801-3|EINECS 206-801-3|Heptadecafluornonansaeure|Heptadecafluorononanoic acid|Heptadekafluornonansaeure|Nonanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 9- heptadecafluoro-|Nonanoic acid, heptadecafluoro-|Perfluornonansaeure|perfluoro-n-nonanoic acid|perfluorononan-1-oic acid|perfluorononanoic acid|Perfluorononanoic acid (PFNA)|Perfluoropelargonic acid|PFNA|UNII-5830Z6S63M https://comptox.epa.gov/dashboard/chemical/details/DTXSID8031863 https://doi.org/10.22427/NTP-DATA-DTXSID8031863
ERPathway2016 ERPathway2016_28 Perfluorononanoic acid 375-95-1 DTXSID8031863 A3 ER Pathway Model, Agonist ACC 3.62538398708323 uM OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorononanoic acid 375-95-1|Perfluorononanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanoic acid|206-801-3|C 1800|EC No.: 206-801-3|EINECS 206-801-3|Heptadecafluornonansaeure|Heptadecafluorononanoic acid|Heptadekafluornonansaeure|Nonanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 9- heptadecafluoro-|Nonanoic acid, heptadecafluoro-|Perfluornonansaeure|perfluoro-n-nonanoic acid|perfluorononan-1-oic acid|perfluorononanoic acid|Perfluorononanoic acid (PFNA)|Perfluoropelargonic acid|PFNA|UNII-5830Z6S63M https://comptox.epa.gov/dashboard/chemical/details/DTXSID8031863 https://doi.org/10.22427/NTP-DATA-DTXSID8031863
ERPathway2016 ERPathway2016_28 Perfluorononanoic acid 375-95-1 DTXSID8031863 A3 ER Pathway Model, Agonist Model Score 0.00751 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorononanoic acid 375-95-1|Perfluorononanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanoic acid|206-801-3|C 1800|EC No.: 206-801-3|EINECS 206-801-3|Heptadecafluornonansaeure|Heptadecafluorononanoic acid|Heptadekafluornonansaeure|Nonanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 9- heptadecafluoro-|Nonanoic acid, heptadecafluoro-|Perfluornonansaeure|perfluoro-n-nonanoic acid|perfluorononan-1-oic acid|perfluorononanoic acid|Perfluorononanoic acid (PFNA)|Perfluoropelargonic acid|PFNA|UNII-5830Z6S63M https://comptox.epa.gov/dashboard/chemical/details/DTXSID8031863 https://doi.org/10.22427/NTP-DATA-DTXSID8031863
ERPathway2016 ERPathway2016_28 Perfluorononanoic acid 375-95-1 DTXSID8031863 A3 ER Pathway Model, Antagonist Model Score 0.0209 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorononanoic acid 375-95-1|Perfluorononanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanoic acid|206-801-3|C 1800|EC No.: 206-801-3|EINECS 206-801-3|Heptadecafluornonansaeure|Heptadecafluorononanoic acid|Heptadekafluornonansaeure|Nonanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 9- heptadecafluoro-|Nonanoic acid, heptadecafluoro-|Perfluornonansaeure|perfluoro-n-nonanoic acid|perfluorononan-1-oic acid|perfluorononanoic acid|Perfluorononanoic acid (PFNA)|Perfluoropelargonic acid|PFNA|UNII-5830Z6S63M https://comptox.epa.gov/dashboard/chemical/details/DTXSID8031863 https://doi.org/10.22427/NTP-DATA-DTXSID8031863
ERPathway2016 ERPathway2016_28 Perfluorononanoic acid 375-95-1 DTXSID8031863 A3 ER Pathway Model, Agonist Call Active Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorononanoic acid 375-95-1|Perfluorononanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanoic acid|206-801-3|C 1800|EC No.: 206-801-3|EINECS 206-801-3|Heptadecafluornonansaeure|Heptadecafluorononanoic acid|Heptadekafluornonansaeure|Nonanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 9- heptadecafluoro-|Nonanoic acid, heptadecafluoro-|Perfluornonansaeure|perfluoro-n-nonanoic acid|perfluorononan-1-oic acid|perfluorononanoic acid|Perfluorononanoic acid (PFNA)|Perfluoropelargonic acid|PFNA|UNII-5830Z6S63M https://comptox.epa.gov/dashboard/chemical/details/DTXSID8031863 https://doi.org/10.22427/NTP-DATA-DTXSID8031863
ERPathway2016 ERPathway2016_28 Perfluorononanoic acid 375-95-1 DTXSID8031863 A3 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorononanoic acid 375-95-1|Perfluorononanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanoic acid|206-801-3|C 1800|EC No.: 206-801-3|EINECS 206-801-3|Heptadecafluornonansaeure|Heptadecafluorononanoic acid|Heptadekafluornonansaeure|Nonanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 9- heptadecafluoro-|Nonanoic acid, heptadecafluoro-|Perfluornonansaeure|perfluoro-n-nonanoic acid|perfluorononan-1-oic acid|perfluorononanoic acid|Perfluorononanoic acid (PFNA)|Perfluoropelargonic acid|PFNA|UNII-5830Z6S63M https://comptox.epa.gov/dashboard/chemical/details/DTXSID8031863 https://doi.org/10.22427/NTP-DATA-DTXSID8031863
ARPathway2016 ARPathway2016_271 Perfluorooctanesulfonamide 754-91-6 DTXSID3038939 True antagonist shift (No hit/Hit) 4.0 A11 AR Pathway Model, Agonist AC50 0.308560155296898 uM NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonamide 754-91-6|Perfluorooctanesulfonamide|1- Octanesulfonamide, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonamide|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|AI 3-29759|Desethylsulfluramid|EINECS 212-046-0|FOSA|FOSA-1|FOSA-I|Heptadecafluoroctansulfonamid|heptadecafluorooctanesulfonamide|heptadecafluorooctanesulphonamide|heptadecafluorooctanosulfonamida|OCTANESULFONAMIDE, HEPTADECAFLUORO-|Perfluoro-1-octanesulfonamide|Perfluoroctylsulfonamide|Perfluorooctanesulfonic acid amide|Perfluorooctylsulfonamide|PFOSA|UNII-80AM718FML https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038939
ARPathway2016 ARPathway2016_271 Perfluorooctanesulfonamide 754-91-6 DTXSID3038939 True antagonist shift (No hit/Hit) 4.0 A11 AR Pathway Model, Agonist ACC 0.263946318490256 uM NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonamide 754-91-6|Perfluorooctanesulfonamide|1- Octanesulfonamide, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonamide|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|AI 3-29759|Desethylsulfluramid|EINECS 212-046-0|FOSA|FOSA-1|FOSA-I|Heptadecafluoroctansulfonamid|heptadecafluorooctanesulfonamide|heptadecafluorooctanesulphonamide|heptadecafluorooctanosulfonamida|OCTANESULFONAMIDE, HEPTADECAFLUORO-|Perfluoro-1-octanesulfonamide|Perfluoroctylsulfonamide|Perfluorooctanesulfonic acid amide|Perfluorooctylsulfonamide|PFOSA|UNII-80AM718FML https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038939
ARPathway2016 ARPathway2016_271 Perfluorooctanesulfonamide 754-91-6 DTXSID3038939 True antagonist shift (No hit/Hit) 4.0 A11 AR Pathway Model, Antagonist Model Score 0.0177 Unitless NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonamide 754-91-6|Perfluorooctanesulfonamide|1- Octanesulfonamide, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonamide|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|AI 3-29759|Desethylsulfluramid|EINECS 212-046-0|FOSA|FOSA-1|FOSA-I|Heptadecafluoroctansulfonamid|heptadecafluorooctanesulfonamide|heptadecafluorooctanesulphonamide|heptadecafluorooctanosulfonamida|OCTANESULFONAMIDE, HEPTADECAFLUORO-|Perfluoro-1-octanesulfonamide|Perfluoroctylsulfonamide|Perfluorooctanesulfonic acid amide|Perfluorooctylsulfonamide|PFOSA|UNII-80AM718FML https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038939
ARPathway2016 ARPathway2016_271 Perfluorooctanesulfonamide 754-91-6 DTXSID3038939 True antagonist shift (No hit/Hit) 4.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonamide 754-91-6|Perfluorooctanesulfonamide|1- Octanesulfonamide, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonamide|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|AI 3-29759|Desethylsulfluramid|EINECS 212-046-0|FOSA|FOSA-1|FOSA-I|Heptadecafluoroctansulfonamid|heptadecafluorooctanesulfonamide|heptadecafluorooctanesulphonamide|heptadecafluorooctanosulfonamida|OCTANESULFONAMIDE, HEPTADECAFLUORO-|Perfluoro-1-octanesulfonamide|Perfluoroctylsulfonamide|Perfluorooctanesulfonic acid amide|Perfluorooctylsulfonamide|PFOSA|UNII-80AM718FML https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038939
ARPathway2016 ARPathway2016_271 Perfluorooctanesulfonamide 754-91-6 DTXSID3038939 True antagonist shift (No hit/Hit) 4.0 A11 AR Pathway Model, Agonist Call Active Unitless NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonamide 754-91-6|Perfluorooctanesulfonamide|1- Octanesulfonamide, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonamide|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|AI 3-29759|Desethylsulfluramid|EINECS 212-046-0|FOSA|FOSA-1|FOSA-I|Heptadecafluoroctansulfonamid|heptadecafluorooctanesulfonamide|heptadecafluorooctanesulphonamide|heptadecafluorooctanosulfonamida|OCTANESULFONAMIDE, HEPTADECAFLUORO-|Perfluoro-1-octanesulfonamide|Perfluoroctylsulfonamide|Perfluorooctanesulfonic acid amide|Perfluorooctylsulfonamide|PFOSA|UNII-80AM718FML https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038939
ARPathway2016 ARPathway2016_271 Perfluorooctanesulfonamide 754-91-6 DTXSID3038939 True antagonist shift (No hit/Hit) 4.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonamide 754-91-6|Perfluorooctanesulfonamide|1- Octanesulfonamide, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonamide|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|AI 3-29759|Desethylsulfluramid|EINECS 212-046-0|FOSA|FOSA-1|FOSA-I|Heptadecafluoroctansulfonamid|heptadecafluorooctanesulfonamide|heptadecafluorooctanesulphonamide|heptadecafluorooctanosulfonamida|OCTANESULFONAMIDE, HEPTADECAFLUORO-|Perfluoro-1-octanesulfonamide|Perfluoroctylsulfonamide|Perfluorooctanesulfonic acid amide|Perfluorooctylsulfonamide|PFOSA|UNII-80AM718FML https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038939
ERPathway2016 ERPathway2016_7 Perfluorooctanesulfonamide 754-91-6 DTXSID3038939 ER Pathway Model, Agonist AC50 41.6173527100017 uM NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonamide 754-91-6|Perfluorooctanesulfonamide|1- Octanesulfonamide, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonamide|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|AI 3-29759|Desethylsulfluramid|EINECS 212-046-0|FOSA|FOSA-1|FOSA-I|Heptadecafluoroctansulfonamid|heptadecafluorooctanesulfonamide|heptadecafluorooctanesulphonamide|heptadecafluorooctanosulfonamida|OCTANESULFONAMIDE, HEPTADECAFLUORO-|Perfluoro-1-octanesulfonamide|Perfluoroctylsulfonamide|Perfluorooctanesulfonic acid amide|Perfluorooctylsulfonamide|PFOSA|UNII-80AM718FML https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038939
ERPathway2016 ERPathway2016_7 Perfluorooctanesulfonamide 754-91-6 DTXSID3038939 ER Pathway Model, Agonist ACC 30.8881930854097 uM NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonamide 754-91-6|Perfluorooctanesulfonamide|1- Octanesulfonamide, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonamide|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|AI 3-29759|Desethylsulfluramid|EINECS 212-046-0|FOSA|FOSA-1|FOSA-I|Heptadecafluoroctansulfonamid|heptadecafluorooctanesulfonamide|heptadecafluorooctanesulphonamide|heptadecafluorooctanosulfonamida|OCTANESULFONAMIDE, HEPTADECAFLUORO-|Perfluoro-1-octanesulfonamide|Perfluoroctylsulfonamide|Perfluorooctanesulfonic acid amide|Perfluorooctylsulfonamide|PFOSA|UNII-80AM718FML https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038939
ERPathway2016 ERPathway2016_7 Perfluorooctanesulfonamide 754-91-6 DTXSID3038939 ER Pathway Model, Agonist Model Score 0.024 Unitless NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonamide 754-91-6|Perfluorooctanesulfonamide|1- Octanesulfonamide, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonamide|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|AI 3-29759|Desethylsulfluramid|EINECS 212-046-0|FOSA|FOSA-1|FOSA-I|Heptadecafluoroctansulfonamid|heptadecafluorooctanesulfonamide|heptadecafluorooctanesulphonamide|heptadecafluorooctanosulfonamida|OCTANESULFONAMIDE, HEPTADECAFLUORO-|Perfluoro-1-octanesulfonamide|Perfluoroctylsulfonamide|Perfluorooctanesulfonic acid amide|Perfluorooctylsulfonamide|PFOSA|UNII-80AM718FML https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038939
ERPathway2016 ERPathway2016_7 Perfluorooctanesulfonamide 754-91-6 DTXSID3038939 ER Pathway Model, Antagonist Model Score 0.029 Unitless NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonamide 754-91-6|Perfluorooctanesulfonamide|1- Octanesulfonamide, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonamide|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|AI 3-29759|Desethylsulfluramid|EINECS 212-046-0|FOSA|FOSA-1|FOSA-I|Heptadecafluoroctansulfonamid|heptadecafluorooctanesulfonamide|heptadecafluorooctanesulphonamide|heptadecafluorooctanosulfonamida|OCTANESULFONAMIDE, HEPTADECAFLUORO-|Perfluoro-1-octanesulfonamide|Perfluoroctylsulfonamide|Perfluorooctanesulfonic acid amide|Perfluorooctylsulfonamide|PFOSA|UNII-80AM718FML https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038939
ERPathway2016 ERPathway2016_7 Perfluorooctanesulfonamide 754-91-6 DTXSID3038939 ER Pathway Model, Agonist Call Active Unitless NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonamide 754-91-6|Perfluorooctanesulfonamide|1- Octanesulfonamide, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonamide|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|AI 3-29759|Desethylsulfluramid|EINECS 212-046-0|FOSA|FOSA-1|FOSA-I|Heptadecafluoroctansulfonamid|heptadecafluorooctanesulfonamide|heptadecafluorooctanesulphonamide|heptadecafluorooctanosulfonamida|OCTANESULFONAMIDE, HEPTADECAFLUORO-|Perfluoro-1-octanesulfonamide|Perfluoroctylsulfonamide|Perfluorooctanesulfonic acid amide|Perfluorooctylsulfonamide|PFOSA|UNII-80AM718FML https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038939
ERPathway2016 ERPathway2016_7 Perfluorooctanesulfonamide 754-91-6 DTXSID3038939 ER Pathway Model, Antagonist Call Inactive Unitless NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonamide 754-91-6|Perfluorooctanesulfonamide|1- Octanesulfonamide, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonamide|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide|AI 3-29759|Desethylsulfluramid|EINECS 212-046-0|FOSA|FOSA-1|FOSA-I|Heptadecafluoroctansulfonamid|heptadecafluorooctanesulfonamide|heptadecafluorooctanesulphonamide|heptadecafluorooctanosulfonamida|OCTANESULFONAMIDE, HEPTADECAFLUORO-|Perfluoro-1-octanesulfonamide|Perfluoroctylsulfonamide|Perfluorooctanesulfonic acid amide|Perfluorooctylsulfonamide|PFOSA|UNII-80AM718FML https://comptox.epa.gov/dashboard/chemical/details/DTXSID3038939
ARPathway2016 ARPathway2016_941 Perfluorooctanesulfonic acid 1763-23-1 DTXSID3031864 0.0 R3 AR Pathway Model, Antagonist Model Score 0 Unitless OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonic acid 1763-23-1|Perfluorooctanesulfonic acid|1- Octanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1-Octanesulfonic acid, heptadecafluoro-|1-Perfluorooctanesulfonic acid|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid|217-179-8|EC No.: 217-179-8|EF 101|Eftop EF 101|EINECS 217-179-8|heptadecafluoro-1-octanesulfonic acid|heptadecafluorooctane-1-sulfonic acid|heptadecafluorooctane-1-sulphonic acid|Heptadecafluorooctanesulfonic acid|L-PFOS|Linear PFOS|n-perfluorooctane sulfonate|perfluoro-1-octanesulfonic acid|Perfluoro-n-octane 1-sulfonic acid|perfluorooctane sulfonic acid|Perfluorooctane sulfonic acid-linear|perfluorooctane-1-sulfonic acid|Perfluorooctanesulfonic acid-linear|Perfluorooctylsulfonic acid|PFOS|UNII-9H2MAI21CL|132324-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031864 https://doi.org/10.22427/NTP-DATA-DTXSID3031864
ARPathway2016 ARPathway2016_941 Perfluorooctanesulfonic acid 1763-23-1 DTXSID3031864 0.0 R3 AR Pathway Model, Agonist Model Score 0 Unitless OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonic acid 1763-23-1|Perfluorooctanesulfonic acid|1- Octanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1-Octanesulfonic acid, heptadecafluoro-|1-Perfluorooctanesulfonic acid|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid|217-179-8|EC No.: 217-179-8|EF 101|Eftop EF 101|EINECS 217-179-8|heptadecafluoro-1-octanesulfonic acid|heptadecafluorooctane-1-sulfonic acid|heptadecafluorooctane-1-sulphonic acid|Heptadecafluorooctanesulfonic acid|L-PFOS|Linear PFOS|n-perfluorooctane sulfonate|perfluoro-1-octanesulfonic acid|Perfluoro-n-octane 1-sulfonic acid|perfluorooctane sulfonic acid|Perfluorooctane sulfonic acid-linear|perfluorooctane-1-sulfonic acid|Perfluorooctanesulfonic acid-linear|Perfluorooctylsulfonic acid|PFOS|UNII-9H2MAI21CL|132324-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031864 https://doi.org/10.22427/NTP-DATA-DTXSID3031864
ARPathway2016 ARPathway2016_941 Perfluorooctanesulfonic acid 1763-23-1 DTXSID3031864 0.0 R3 AR Pathway Model, Agonist Call Inactive Unitless OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonic acid 1763-23-1|Perfluorooctanesulfonic acid|1- Octanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1-Octanesulfonic acid, heptadecafluoro-|1-Perfluorooctanesulfonic acid|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid|217-179-8|EC No.: 217-179-8|EF 101|Eftop EF 101|EINECS 217-179-8|heptadecafluoro-1-octanesulfonic acid|heptadecafluorooctane-1-sulfonic acid|heptadecafluorooctane-1-sulphonic acid|Heptadecafluorooctanesulfonic acid|L-PFOS|Linear PFOS|n-perfluorooctane sulfonate|perfluoro-1-octanesulfonic acid|Perfluoro-n-octane 1-sulfonic acid|perfluorooctane sulfonic acid|Perfluorooctane sulfonic acid-linear|perfluorooctane-1-sulfonic acid|Perfluorooctanesulfonic acid-linear|Perfluorooctylsulfonic acid|PFOS|UNII-9H2MAI21CL|132324-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031864 https://doi.org/10.22427/NTP-DATA-DTXSID3031864
ARPathway2016 ARPathway2016_941 Perfluorooctanesulfonic acid 1763-23-1 DTXSID3031864 0.0 R3 AR Pathway Model, Antagonist Call Inactive Unitless OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonic acid 1763-23-1|Perfluorooctanesulfonic acid|1- Octanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1-Octanesulfonic acid, heptadecafluoro-|1-Perfluorooctanesulfonic acid|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid|217-179-8|EC No.: 217-179-8|EF 101|Eftop EF 101|EINECS 217-179-8|heptadecafluoro-1-octanesulfonic acid|heptadecafluorooctane-1-sulfonic acid|heptadecafluorooctane-1-sulphonic acid|Heptadecafluorooctanesulfonic acid|L-PFOS|Linear PFOS|n-perfluorooctane sulfonate|perfluoro-1-octanesulfonic acid|Perfluoro-n-octane 1-sulfonic acid|perfluorooctane sulfonic acid|Perfluorooctane sulfonic acid-linear|perfluorooctane-1-sulfonic acid|Perfluorooctanesulfonic acid-linear|Perfluorooctylsulfonic acid|PFOS|UNII-9H2MAI21CL|132324-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031864 https://doi.org/10.22427/NTP-DATA-DTXSID3031864
ERPathway2016 ERPathway2016_67 Perfluorooctanesulfonic acid 1763-23-1 DTXSID3031864 ER Pathway Model, Agonist AC50 32.9919021335043 uM OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonic acid 1763-23-1|Perfluorooctanesulfonic acid|1- Octanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1-Octanesulfonic acid, heptadecafluoro-|1-Perfluorooctanesulfonic acid|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid|217-179-8|EC No.: 217-179-8|EF 101|Eftop EF 101|EINECS 217-179-8|heptadecafluoro-1-octanesulfonic acid|heptadecafluorooctane-1-sulfonic acid|heptadecafluorooctane-1-sulphonic acid|Heptadecafluorooctanesulfonic acid|L-PFOS|Linear PFOS|n-perfluorooctane sulfonate|perfluoro-1-octanesulfonic acid|Perfluoro-n-octane 1-sulfonic acid|perfluorooctane sulfonic acid|Perfluorooctane sulfonic acid-linear|perfluorooctane-1-sulfonic acid|Perfluorooctanesulfonic acid-linear|Perfluorooctylsulfonic acid|PFOS|UNII-9H2MAI21CL|132324-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031864 https://doi.org/10.22427/NTP-DATA-DTXSID3031864
ERPathway2016 ERPathway2016_67 Perfluorooctanesulfonic acid 1763-23-1 DTXSID3031864 ER Pathway Model, Agonist ACC 35.7431015039006 uM OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonic acid 1763-23-1|Perfluorooctanesulfonic acid|1- Octanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1-Octanesulfonic acid, heptadecafluoro-|1-Perfluorooctanesulfonic acid|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid|217-179-8|EC No.: 217-179-8|EF 101|Eftop EF 101|EINECS 217-179-8|heptadecafluoro-1-octanesulfonic acid|heptadecafluorooctane-1-sulfonic acid|heptadecafluorooctane-1-sulphonic acid|Heptadecafluorooctanesulfonic acid|L-PFOS|Linear PFOS|n-perfluorooctane sulfonate|perfluoro-1-octanesulfonic acid|Perfluoro-n-octane 1-sulfonic acid|perfluorooctane sulfonic acid|Perfluorooctane sulfonic acid-linear|perfluorooctane-1-sulfonic acid|Perfluorooctanesulfonic acid-linear|Perfluorooctylsulfonic acid|PFOS|UNII-9H2MAI21CL|132324-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031864 https://doi.org/10.22427/NTP-DATA-DTXSID3031864
ERPathway2016 ERPathway2016_67 Perfluorooctanesulfonic acid 1763-23-1 DTXSID3031864 ER Pathway Model, Agonist Model Score 0 Unitless OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonic acid 1763-23-1|Perfluorooctanesulfonic acid|1- Octanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1-Octanesulfonic acid, heptadecafluoro-|1-Perfluorooctanesulfonic acid|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid|217-179-8|EC No.: 217-179-8|EF 101|Eftop EF 101|EINECS 217-179-8|heptadecafluoro-1-octanesulfonic acid|heptadecafluorooctane-1-sulfonic acid|heptadecafluorooctane-1-sulphonic acid|Heptadecafluorooctanesulfonic acid|L-PFOS|Linear PFOS|n-perfluorooctane sulfonate|perfluoro-1-octanesulfonic acid|Perfluoro-n-octane 1-sulfonic acid|perfluorooctane sulfonic acid|Perfluorooctane sulfonic acid-linear|perfluorooctane-1-sulfonic acid|Perfluorooctanesulfonic acid-linear|Perfluorooctylsulfonic acid|PFOS|UNII-9H2MAI21CL|132324-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031864 https://doi.org/10.22427/NTP-DATA-DTXSID3031864
ERPathway2016 ERPathway2016_67 Perfluorooctanesulfonic acid 1763-23-1 DTXSID3031864 ER Pathway Model, Antagonist Model Score 0.00114 Unitless OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonic acid 1763-23-1|Perfluorooctanesulfonic acid|1- Octanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1-Octanesulfonic acid, heptadecafluoro-|1-Perfluorooctanesulfonic acid|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid|217-179-8|EC No.: 217-179-8|EF 101|Eftop EF 101|EINECS 217-179-8|heptadecafluoro-1-octanesulfonic acid|heptadecafluorooctane-1-sulfonic acid|heptadecafluorooctane-1-sulphonic acid|Heptadecafluorooctanesulfonic acid|L-PFOS|Linear PFOS|n-perfluorooctane sulfonate|perfluoro-1-octanesulfonic acid|Perfluoro-n-octane 1-sulfonic acid|perfluorooctane sulfonic acid|Perfluorooctane sulfonic acid-linear|perfluorooctane-1-sulfonic acid|Perfluorooctanesulfonic acid-linear|Perfluorooctylsulfonic acid|PFOS|UNII-9H2MAI21CL|132324-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031864 https://doi.org/10.22427/NTP-DATA-DTXSID3031864
ERPathway2016 ERPathway2016_67 Perfluorooctanesulfonic acid 1763-23-1 DTXSID3031864 ER Pathway Model, Agonist Call Active Unitless OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonic acid 1763-23-1|Perfluorooctanesulfonic acid|1- Octanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1-Octanesulfonic acid, heptadecafluoro-|1-Perfluorooctanesulfonic acid|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid|217-179-8|EC No.: 217-179-8|EF 101|Eftop EF 101|EINECS 217-179-8|heptadecafluoro-1-octanesulfonic acid|heptadecafluorooctane-1-sulfonic acid|heptadecafluorooctane-1-sulphonic acid|Heptadecafluorooctanesulfonic acid|L-PFOS|Linear PFOS|n-perfluorooctane sulfonate|perfluoro-1-octanesulfonic acid|Perfluoro-n-octane 1-sulfonic acid|perfluorooctane sulfonic acid|Perfluorooctane sulfonic acid-linear|perfluorooctane-1-sulfonic acid|Perfluorooctanesulfonic acid-linear|Perfluorooctylsulfonic acid|PFOS|UNII-9H2MAI21CL|132324-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031864 https://doi.org/10.22427/NTP-DATA-DTXSID3031864
ERPathway2016 ERPathway2016_67 Perfluorooctanesulfonic acid 1763-23-1 DTXSID3031864 ER Pathway Model, Antagonist Call Inactive Unitless OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanesulfonic acid 1763-23-1|Perfluorooctanesulfonic acid|1- Octanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro-|1-Octanesulfonic acid, heptadecafluoro-|1-Perfluorooctanesulfonic acid|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid|217-179-8|EC No.: 217-179-8|EF 101|Eftop EF 101|EINECS 217-179-8|heptadecafluoro-1-octanesulfonic acid|heptadecafluorooctane-1-sulfonic acid|heptadecafluorooctane-1-sulphonic acid|Heptadecafluorooctanesulfonic acid|L-PFOS|Linear PFOS|n-perfluorooctane sulfonate|perfluoro-1-octanesulfonic acid|Perfluoro-n-octane 1-sulfonic acid|perfluorooctane sulfonic acid|Perfluorooctane sulfonic acid-linear|perfluorooctane-1-sulfonic acid|Perfluorooctanesulfonic acid-linear|Perfluorooctylsulfonic acid|PFOS|UNII-9H2MAI21CL|132324-11-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3031864 https://doi.org/10.22427/NTP-DATA-DTXSID3031864
ARPathway2016 ARPathway2016_1152 Perfluorooctanoic acid 335-67-1 DTXSID8031865 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanoic acid 335-67-1|Perfluorooctanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid|206-397-9|Acide pentadecafluorooctanoique|acido pentadecafluorooctanoico|BRN 1809678|EC No.: 206-397-9|Eftop EF 201|EINECS 206-397-9|Hexanoyl fluoride, 3,3,4,4,5,5,6,6,6-nonafluoro-2-oxo-|L-PFOA|n-Perfluorooctanoic acid|NSC 95114|Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-|Octanoic acid, pentadecafluoro-|PENTADECAFLUOR-CAPRYLSAEURE|Pentadecafluoro-1-octanoic acid|Pentadecafluoro-n-octanoic acid|Pentadecafluoroctansaure|pentadecafluorooctanoic acid|Perfluoro-1-heptanecarboxylic acid|perfluoro-n-octanoic acid|Perfluorocaprylic acid|Perfluoroctanoic acid|Perfluoroheptanecarboxylic acid|Perfluorooctanoic acid PFOA|Perfluorooctanoic acid (PFOA)|perfluorooctylcarboxylic acid|PFOA|UNII-947VD76D3L|65618-66-8|71244-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8031865 https://doi.org/10.22427/NTP-DATA-DTXSID8031865
ARPathway2016 ARPathway2016_1152 Perfluorooctanoic acid 335-67-1 DTXSID8031865 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanoic acid 335-67-1|Perfluorooctanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid|206-397-9|Acide pentadecafluorooctanoique|acido pentadecafluorooctanoico|BRN 1809678|EC No.: 206-397-9|Eftop EF 201|EINECS 206-397-9|Hexanoyl fluoride, 3,3,4,4,5,5,6,6,6-nonafluoro-2-oxo-|L-PFOA|n-Perfluorooctanoic acid|NSC 95114|Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-|Octanoic acid, pentadecafluoro-|PENTADECAFLUOR-CAPRYLSAEURE|Pentadecafluoro-1-octanoic acid|Pentadecafluoro-n-octanoic acid|Pentadecafluoroctansaure|pentadecafluorooctanoic acid|Perfluoro-1-heptanecarboxylic acid|perfluoro-n-octanoic acid|Perfluorocaprylic acid|Perfluoroctanoic acid|Perfluoroheptanecarboxylic acid|Perfluorooctanoic acid PFOA|Perfluorooctanoic acid (PFOA)|perfluorooctylcarboxylic acid|PFOA|UNII-947VD76D3L|65618-66-8|71244-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8031865 https://doi.org/10.22427/NTP-DATA-DTXSID8031865
ARPathway2016 ARPathway2016_1152 Perfluorooctanoic acid 335-67-1 DTXSID8031865 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanoic acid 335-67-1|Perfluorooctanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid|206-397-9|Acide pentadecafluorooctanoique|acido pentadecafluorooctanoico|BRN 1809678|EC No.: 206-397-9|Eftop EF 201|EINECS 206-397-9|Hexanoyl fluoride, 3,3,4,4,5,5,6,6,6-nonafluoro-2-oxo-|L-PFOA|n-Perfluorooctanoic acid|NSC 95114|Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-|Octanoic acid, pentadecafluoro-|PENTADECAFLUOR-CAPRYLSAEURE|Pentadecafluoro-1-octanoic acid|Pentadecafluoro-n-octanoic acid|Pentadecafluoroctansaure|pentadecafluorooctanoic acid|Perfluoro-1-heptanecarboxylic acid|perfluoro-n-octanoic acid|Perfluorocaprylic acid|Perfluoroctanoic acid|Perfluoroheptanecarboxylic acid|Perfluorooctanoic acid PFOA|Perfluorooctanoic acid (PFOA)|perfluorooctylcarboxylic acid|PFOA|UNII-947VD76D3L|65618-66-8|71244-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8031865 https://doi.org/10.22427/NTP-DATA-DTXSID8031865
ARPathway2016 ARPathway2016_1152 Perfluorooctanoic acid 335-67-1 DTXSID8031865 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanoic acid 335-67-1|Perfluorooctanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid|206-397-9|Acide pentadecafluorooctanoique|acido pentadecafluorooctanoico|BRN 1809678|EC No.: 206-397-9|Eftop EF 201|EINECS 206-397-9|Hexanoyl fluoride, 3,3,4,4,5,5,6,6,6-nonafluoro-2-oxo-|L-PFOA|n-Perfluorooctanoic acid|NSC 95114|Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-|Octanoic acid, pentadecafluoro-|PENTADECAFLUOR-CAPRYLSAEURE|Pentadecafluoro-1-octanoic acid|Pentadecafluoro-n-octanoic acid|Pentadecafluoroctansaure|pentadecafluorooctanoic acid|Perfluoro-1-heptanecarboxylic acid|perfluoro-n-octanoic acid|Perfluorocaprylic acid|Perfluoroctanoic acid|Perfluoroheptanecarboxylic acid|Perfluorooctanoic acid PFOA|Perfluorooctanoic acid (PFOA)|perfluorooctylcarboxylic acid|PFOA|UNII-947VD76D3L|65618-66-8|71244-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8031865 https://doi.org/10.22427/NTP-DATA-DTXSID8031865
ERPathway2016 ERPathway2016_678 Perfluorooctanoic acid 335-67-1 DTXSID8031865 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanoic acid 335-67-1|Perfluorooctanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid|206-397-9|Acide pentadecafluorooctanoique|acido pentadecafluorooctanoico|BRN 1809678|EC No.: 206-397-9|Eftop EF 201|EINECS 206-397-9|Hexanoyl fluoride, 3,3,4,4,5,5,6,6,6-nonafluoro-2-oxo-|L-PFOA|n-Perfluorooctanoic acid|NSC 95114|Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-|Octanoic acid, pentadecafluoro-|PENTADECAFLUOR-CAPRYLSAEURE|Pentadecafluoro-1-octanoic acid|Pentadecafluoro-n-octanoic acid|Pentadecafluoroctansaure|pentadecafluorooctanoic acid|Perfluoro-1-heptanecarboxylic acid|perfluoro-n-octanoic acid|Perfluorocaprylic acid|Perfluoroctanoic acid|Perfluoroheptanecarboxylic acid|Perfluorooctanoic acid PFOA|Perfluorooctanoic acid (PFOA)|perfluorooctylcarboxylic acid|PFOA|UNII-947VD76D3L|65618-66-8|71244-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8031865 https://doi.org/10.22427/NTP-DATA-DTXSID8031865
ERPathway2016 ERPathway2016_678 Perfluorooctanoic acid 335-67-1 DTXSID8031865 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanoic acid 335-67-1|Perfluorooctanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid|206-397-9|Acide pentadecafluorooctanoique|acido pentadecafluorooctanoico|BRN 1809678|EC No.: 206-397-9|Eftop EF 201|EINECS 206-397-9|Hexanoyl fluoride, 3,3,4,4,5,5,6,6,6-nonafluoro-2-oxo-|L-PFOA|n-Perfluorooctanoic acid|NSC 95114|Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-|Octanoic acid, pentadecafluoro-|PENTADECAFLUOR-CAPRYLSAEURE|Pentadecafluoro-1-octanoic acid|Pentadecafluoro-n-octanoic acid|Pentadecafluoroctansaure|pentadecafluorooctanoic acid|Perfluoro-1-heptanecarboxylic acid|perfluoro-n-octanoic acid|Perfluorocaprylic acid|Perfluoroctanoic acid|Perfluoroheptanecarboxylic acid|Perfluorooctanoic acid PFOA|Perfluorooctanoic acid (PFOA)|perfluorooctylcarboxylic acid|PFOA|UNII-947VD76D3L|65618-66-8|71244-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8031865 https://doi.org/10.22427/NTP-DATA-DTXSID8031865
ERPathway2016 ERPathway2016_678 Perfluorooctanoic acid 335-67-1 DTXSID8031865 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanoic acid 335-67-1|Perfluorooctanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid|206-397-9|Acide pentadecafluorooctanoique|acido pentadecafluorooctanoico|BRN 1809678|EC No.: 206-397-9|Eftop EF 201|EINECS 206-397-9|Hexanoyl fluoride, 3,3,4,4,5,5,6,6,6-nonafluoro-2-oxo-|L-PFOA|n-Perfluorooctanoic acid|NSC 95114|Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-|Octanoic acid, pentadecafluoro-|PENTADECAFLUOR-CAPRYLSAEURE|Pentadecafluoro-1-octanoic acid|Pentadecafluoro-n-octanoic acid|Pentadecafluoroctansaure|pentadecafluorooctanoic acid|Perfluoro-1-heptanecarboxylic acid|perfluoro-n-octanoic acid|Perfluorocaprylic acid|Perfluoroctanoic acid|Perfluoroheptanecarboxylic acid|Perfluorooctanoic acid PFOA|Perfluorooctanoic acid (PFOA)|perfluorooctylcarboxylic acid|PFOA|UNII-947VD76D3L|65618-66-8|71244-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8031865 https://doi.org/10.22427/NTP-DATA-DTXSID8031865
ERPathway2016 ERPathway2016_678 Perfluorooctanoic acid 335-67-1 DTXSID8031865 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluorooctanoic acid 335-67-1|Perfluorooctanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid|206-397-9|Acide pentadecafluorooctanoique|acido pentadecafluorooctanoico|BRN 1809678|EC No.: 206-397-9|Eftop EF 201|EINECS 206-397-9|Hexanoyl fluoride, 3,3,4,4,5,5,6,6,6-nonafluoro-2-oxo-|L-PFOA|n-Perfluorooctanoic acid|NSC 95114|Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-|Octanoic acid, pentadecafluoro-|PENTADECAFLUOR-CAPRYLSAEURE|Pentadecafluoro-1-octanoic acid|Pentadecafluoro-n-octanoic acid|Pentadecafluoroctansaure|pentadecafluorooctanoic acid|Perfluoro-1-heptanecarboxylic acid|perfluoro-n-octanoic acid|Perfluorocaprylic acid|Perfluoroctanoic acid|Perfluoroheptanecarboxylic acid|Perfluorooctanoic acid PFOA|Perfluorooctanoic acid (PFOA)|perfluorooctylcarboxylic acid|PFOA|UNII-947VD76D3L|65618-66-8|71244-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8031865 https://doi.org/10.22427/NTP-DATA-DTXSID8031865
ARPathway2016 ARPathway2016_981 Perfluoroundecanoic acid 2058-94-8 DTXSID8047553 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluoroundecanoic acid 2058-94-8|Perfluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heneicosafluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoroundecanoic acid|218-165-4|acide henicosafluoroundecanoique|acido henicosafluoroundecanoico|EC No.: 218-165-4|EINECS 218-165-4|Heneicosafluoroundecanoic acid|henicosafluoroundecanoic acid|Henicosafluorundecansaure|Perfluoro-n-undecanoic acid|Perfluoroundecylic acid|PFUdA|PFUnA|PFUnDA|Undecanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 11, 11, 11- heneicosafluoro-|Undecanoic acid, heneicosafluoro-|110961-38-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047553
ARPathway2016 ARPathway2016_981 Perfluoroundecanoic acid 2058-94-8 DTXSID8047553 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluoroundecanoic acid 2058-94-8|Perfluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heneicosafluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoroundecanoic acid|218-165-4|acide henicosafluoroundecanoique|acido henicosafluoroundecanoico|EC No.: 218-165-4|EINECS 218-165-4|Heneicosafluoroundecanoic acid|henicosafluoroundecanoic acid|Henicosafluorundecansaure|Perfluoro-n-undecanoic acid|Perfluoroundecylic acid|PFUdA|PFUnA|PFUnDA|Undecanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 11, 11, 11- heneicosafluoro-|Undecanoic acid, heneicosafluoro-|110961-38-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047553
ARPathway2016 ARPathway2016_981 Perfluoroundecanoic acid 2058-94-8 DTXSID8047553 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluoroundecanoic acid 2058-94-8|Perfluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heneicosafluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoroundecanoic acid|218-165-4|acide henicosafluoroundecanoique|acido henicosafluoroundecanoico|EC No.: 218-165-4|EINECS 218-165-4|Heneicosafluoroundecanoic acid|henicosafluoroundecanoic acid|Henicosafluorundecansaure|Perfluoro-n-undecanoic acid|Perfluoroundecylic acid|PFUdA|PFUnA|PFUnDA|Undecanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 11, 11, 11- heneicosafluoro-|Undecanoic acid, heneicosafluoro-|110961-38-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047553
ARPathway2016 ARPathway2016_981 Perfluoroundecanoic acid 2058-94-8 DTXSID8047553 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluoroundecanoic acid 2058-94-8|Perfluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heneicosafluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoroundecanoic acid|218-165-4|acide henicosafluoroundecanoique|acido henicosafluoroundecanoico|EC No.: 218-165-4|EINECS 218-165-4|Heneicosafluoroundecanoic acid|henicosafluoroundecanoic acid|Henicosafluorundecansaure|Perfluoro-n-undecanoic acid|Perfluoroundecylic acid|PFUdA|PFUnA|PFUnDA|Undecanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 11, 11, 11- heneicosafluoro-|Undecanoic acid, heneicosafluoro-|110961-38-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047553
ERPathway2016 ERPathway2016_38 Perfluoroundecanoic acid 2058-94-8 DTXSID8047553 ER Pathway Model, Agonist AC50 5.61927782014307 uM OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluoroundecanoic acid 2058-94-8|Perfluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heneicosafluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoroundecanoic acid|218-165-4|acide henicosafluoroundecanoique|acido henicosafluoroundecanoico|EC No.: 218-165-4|EINECS 218-165-4|Heneicosafluoroundecanoic acid|henicosafluoroundecanoic acid|Henicosafluorundecansaure|Perfluoro-n-undecanoic acid|Perfluoroundecylic acid|PFUdA|PFUnA|PFUnDA|Undecanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 11, 11, 11- heneicosafluoro-|Undecanoic acid, heneicosafluoro-|110961-38-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047553
ERPathway2016 ERPathway2016_38 Perfluoroundecanoic acid 2058-94-8 DTXSID8047553 ER Pathway Model, Agonist ACC 14.9304205297099 uM OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluoroundecanoic acid 2058-94-8|Perfluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heneicosafluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoroundecanoic acid|218-165-4|acide henicosafluoroundecanoique|acido henicosafluoroundecanoico|EC No.: 218-165-4|EINECS 218-165-4|Heneicosafluoroundecanoic acid|henicosafluoroundecanoic acid|Henicosafluorundecansaure|Perfluoro-n-undecanoic acid|Perfluoroundecylic acid|PFUdA|PFUnA|PFUnDA|Undecanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 11, 11, 11- heneicosafluoro-|Undecanoic acid, heneicosafluoro-|110961-38-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047553
ERPathway2016 ERPathway2016_38 Perfluoroundecanoic acid 2058-94-8 DTXSID8047553 ER Pathway Model, Agonist Model Score 0.00337 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluoroundecanoic acid 2058-94-8|Perfluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heneicosafluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoroundecanoic acid|218-165-4|acide henicosafluoroundecanoique|acido henicosafluoroundecanoico|EC No.: 218-165-4|EINECS 218-165-4|Heneicosafluoroundecanoic acid|henicosafluoroundecanoic acid|Henicosafluorundecansaure|Perfluoro-n-undecanoic acid|Perfluoroundecylic acid|PFUdA|PFUnA|PFUnDA|Undecanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 11, 11, 11- heneicosafluoro-|Undecanoic acid, heneicosafluoro-|110961-38-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047553
ERPathway2016 ERPathway2016_38 Perfluoroundecanoic acid 2058-94-8 DTXSID8047553 ER Pathway Model, Antagonist Model Score 0.00933 Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluoroundecanoic acid 2058-94-8|Perfluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heneicosafluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoroundecanoic acid|218-165-4|acide henicosafluoroundecanoique|acido henicosafluoroundecanoico|EC No.: 218-165-4|EINECS 218-165-4|Heneicosafluoroundecanoic acid|henicosafluoroundecanoic acid|Henicosafluorundecansaure|Perfluoro-n-undecanoic acid|Perfluoroundecylic acid|PFUdA|PFUnA|PFUnDA|Undecanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 11, 11, 11- heneicosafluoro-|Undecanoic acid, heneicosafluoro-|110961-38-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047553
ERPathway2016 ERPathway2016_38 Perfluoroundecanoic acid 2058-94-8 DTXSID8047553 ER Pathway Model, Agonist Call Active Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluoroundecanoic acid 2058-94-8|Perfluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heneicosafluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoroundecanoic acid|218-165-4|acide henicosafluoroundecanoique|acido henicosafluoroundecanoico|EC No.: 218-165-4|EINECS 218-165-4|Heneicosafluoroundecanoic acid|henicosafluoroundecanoic acid|Henicosafluorundecansaure|Perfluoro-n-undecanoic acid|Perfluoroundecylic acid|PFUdA|PFUnA|PFUnDA|Undecanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 11, 11, 11- heneicosafluoro-|Undecanoic acid, heneicosafluoro-|110961-38-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047553
ERPathway2016 ERPathway2016_38 Perfluoroundecanoic acid 2058-94-8 DTXSID8047553 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Perfluoroundecanoic acid 2058-94-8|Perfluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heneicosafluoroundecanoic acid|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoroundecanoic acid|218-165-4|acide henicosafluoroundecanoique|acido henicosafluoroundecanoico|EC No.: 218-165-4|EINECS 218-165-4|Heneicosafluoroundecanoic acid|henicosafluoroundecanoic acid|Henicosafluorundecansaure|Perfluoro-n-undecanoic acid|Perfluoroundecylic acid|PFUdA|PFUnA|PFUnDA|Undecanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 11, 11, 11- heneicosafluoro-|Undecanoic acid, heneicosafluoro-|110961-38-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047553
ARPathway2016 ARPathway2016_1278 Permethrin 52645-53-1 DTXSID8022292 0.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1 Permethrin 52645-53-1|Permethrin|(+-)-3-Phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 3-(2,2-dichlorethenyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|3-(2,2-Dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane carboxylic acid, (3-phenoxyphenyl) methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de m-phenoxybenzyle|3-(2,2-diclorovinil)-2,2-dimetilciclopropanocarboxilato de m-fenoxibencilo|3-(Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|3-PHENOXYBENZYL (1-RS, 3RS, 1RS, 3SR)-3-(2,2-DI- CHLOROVINY|2048189-28-0|2048189-55-3|57608-04-5|60018-94-2|63364-00-1|75497-64-2|93388-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022292
ARPathway2016 ARPathway2016_1278 Permethrin 52645-53-1 DTXSID8022292 0.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1 Permethrin 52645-53-1|Permethrin|(+-)-3-Phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 3-(2,2-dichlorethenyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|3-(2,2-Dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane carboxylic acid, (3-phenoxyphenyl) methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de m-phenoxybenzyle|3-(2,2-diclorovinil)-2,2-dimetilciclopropanocarboxilato de m-fenoxibencilo|3-(Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|3-PHENOXYBENZYL (1-RS, 3RS, 1RS, 3SR)-3-(2,2-DI- CHLOROVINY|2048189-28-0|2048189-55-3|57608-04-5|60018-94-2|63364-00-1|75497-64-2|93388-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022292
ARPathway2016 ARPathway2016_1278 Permethrin 52645-53-1 DTXSID8022292 0.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1 Permethrin 52645-53-1|Permethrin|(+-)-3-Phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 3-(2,2-dichlorethenyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|3-(2,2-Dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane carboxylic acid, (3-phenoxyphenyl) methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de m-phenoxybenzyle|3-(2,2-diclorovinil)-2,2-dimetilciclopropanocarboxilato de m-fenoxibencilo|3-(Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|3-PHENOXYBENZYL (1-RS, 3RS, 1RS, 3SR)-3-(2,2-DI- CHLOROVINY|2048189-28-0|2048189-55-3|57608-04-5|60018-94-2|63364-00-1|75497-64-2|93388-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022292
ARPathway2016 ARPathway2016_1278 Permethrin 52645-53-1 DTXSID8022292 0.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1 Permethrin 52645-53-1|Permethrin|(+-)-3-Phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 3-(2,2-dichlorethenyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|3-(2,2-Dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane carboxylic acid, (3-phenoxyphenyl) methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de m-phenoxybenzyle|3-(2,2-diclorovinil)-2,2-dimetilciclopropanocarboxilato de m-fenoxibencilo|3-(Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|3-PHENOXYBENZYL (1-RS, 3RS, 1RS, 3SR)-3-(2,2-DI- CHLOROVINY|2048189-28-0|2048189-55-3|57608-04-5|60018-94-2|63364-00-1|75497-64-2|93388-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022292
ERPathway2016 ERPathway2016_793 Permethrin 52645-53-1 DTXSID8022292 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1 Permethrin 52645-53-1|Permethrin|(+-)-3-Phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 3-(2,2-dichlorethenyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|3-(2,2-Dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane carboxylic acid, (3-phenoxyphenyl) methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de m-phenoxybenzyle|3-(2,2-diclorovinil)-2,2-dimetilciclopropanocarboxilato de m-fenoxibencilo|3-(Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|3-PHENOXYBENZYL (1-RS, 3RS, 1RS, 3SR)-3-(2,2-DI- CHLOROVINY|2048189-28-0|2048189-55-3|57608-04-5|60018-94-2|63364-00-1|75497-64-2|93388-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022292
ERPathway2016 ERPathway2016_793 Permethrin 52645-53-1 DTXSID8022292 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1 Permethrin 52645-53-1|Permethrin|(+-)-3-Phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 3-(2,2-dichlorethenyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|3-(2,2-Dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane carboxylic acid, (3-phenoxyphenyl) methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de m-phenoxybenzyle|3-(2,2-diclorovinil)-2,2-dimetilciclopropanocarboxilato de m-fenoxibencilo|3-(Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|3-PHENOXYBENZYL (1-RS, 3RS, 1RS, 3SR)-3-(2,2-DI- CHLOROVINY|2048189-28-0|2048189-55-3|57608-04-5|60018-94-2|63364-00-1|75497-64-2|93388-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022292
ERPathway2016 ERPathway2016_793 Permethrin 52645-53-1 DTXSID8022292 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1 Permethrin 52645-53-1|Permethrin|(+-)-3-Phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 3-(2,2-dichlorethenyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|3-(2,2-Dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane carboxylic acid, (3-phenoxyphenyl) methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de m-phenoxybenzyle|3-(2,2-diclorovinil)-2,2-dimetilciclopropanocarboxilato de m-fenoxibencilo|3-(Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|3-PHENOXYBENZYL (1-RS, 3RS, 1RS, 3SR)-3-(2,2-DI- CHLOROVINY|2048189-28-0|2048189-55-3|57608-04-5|60018-94-2|63364-00-1|75497-64-2|93388-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022292
ERPathway2016 ERPathway2016_793 Permethrin 52645-53-1 DTXSID8022292 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1 Permethrin 52645-53-1|Permethrin|(+-)-3-Phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 3-(2,2-dichlorethenyl)-2,2-dimethylcyclopropanecarboxylate|(3-Phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|3-(2,2-Dichloroethenyl)-2,2-dimethyl-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane carboxylic acid, (3-phenoxyphenyl) methyl ester|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate de m-phenoxybenzyle|3-(2,2-diclorovinil)-2,2-dimetilciclopropanocarboxilato de m-fenoxibencilo|3-(Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|3-PHENOXYBENZYL (1-RS, 3RS, 1RS, 3SR)-3-(2,2-DI- CHLOROVINY|2048189-28-0|2048189-55-3|57608-04-5|60018-94-2|63364-00-1|75497-64-2|93388-66-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022292
ARPathway2016 ARPathway2016_1282 PHA-00568487 527680-56-4 DTXSID1047285 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C(N[C@H]1CN2CCC1CC2)C1=CC2=C(OCCO2)C=C1 PHA-00568487 527680-56-4|PHA-00568487 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047285
ARPathway2016 ARPathway2016_1282 PHA-00568487 527680-56-4 DTXSID1047285 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C(N[C@H]1CN2CCC1CC2)C1=CC2=C(OCCO2)C=C1 PHA-00568487 527680-56-4|PHA-00568487 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047285
ARPathway2016 ARPathway2016_1282 PHA-00568487 527680-56-4 DTXSID1047285 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C(N[C@H]1CN2CCC1CC2)C1=CC2=C(OCCO2)C=C1 PHA-00568487 527680-56-4|PHA-00568487 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047285
ARPathway2016 ARPathway2016_1282 PHA-00568487 527680-56-4 DTXSID1047285 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C(N[C@H]1CN2CCC1CC2)C1=CC2=C(OCCO2)C=C1 PHA-00568487 527680-56-4|PHA-00568487 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047285
ERPathway2016 ERPathway2016_1512 PHA-00568487 527680-56-4 DTXSID1047285 ER Pathway Model, Agonist Model Score 0 Unitless O=C(N[C@H]1CN2CCC1CC2)C1=CC2=C(OCCO2)C=C1 PHA-00568487 527680-56-4|PHA-00568487 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047285
ERPathway2016 ERPathway2016_1512 PHA-00568487 527680-56-4 DTXSID1047285 ER Pathway Model, Antagonist Model Score 0 Unitless O=C(N[C@H]1CN2CCC1CC2)C1=CC2=C(OCCO2)C=C1 PHA-00568487 527680-56-4|PHA-00568487 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047285
ERPathway2016 ERPathway2016_1512 PHA-00568487 527680-56-4 DTXSID1047285 ER Pathway Model, Agonist Call Inactive Unitless O=C(N[C@H]1CN2CCC1CC2)C1=CC2=C(OCCO2)C=C1 PHA-00568487 527680-56-4|PHA-00568487 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047285
ERPathway2016 ERPathway2016_1512 PHA-00568487 527680-56-4 DTXSID1047285 ER Pathway Model, Antagonist Call Inactive Unitless O=C(N[C@H]1CN2CCC1CC2)C1=CC2=C(OCCO2)C=C1 PHA-00568487 527680-56-4|PHA-00568487 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047285
ARPathway2016 ARPathway2016_1162 PharmaGSID_47263 349495-42-7 DTXSID3047263 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless CCN1N=C(C)C2=C1C(=O)NCC(=N2)C1=CC=C(O)C=C1 PharmaGSID_47263 349495-42-7|PharmaGSID_47263|1-ethyl-5-(4-hydroxyphenyl)-3-methyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047263
ARPathway2016 ARPathway2016_1162 PharmaGSID_47263 349495-42-7 DTXSID3047263 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CCN1N=C(C)C2=C1C(=O)NCC(=N2)C1=CC=C(O)C=C1 PharmaGSID_47263 349495-42-7|PharmaGSID_47263|1-ethyl-5-(4-hydroxyphenyl)-3-methyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047263
ARPathway2016 ARPathway2016_1162 PharmaGSID_47263 349495-42-7 DTXSID3047263 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Inactive Unitless CCN1N=C(C)C2=C1C(=O)NCC(=N2)C1=CC=C(O)C=C1 PharmaGSID_47263 349495-42-7|PharmaGSID_47263|1-ethyl-5-(4-hydroxyphenyl)-3-methyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047263
ARPathway2016 ARPathway2016_1162 PharmaGSID_47263 349495-42-7 DTXSID3047263 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CCN1N=C(C)C2=C1C(=O)NCC(=N2)C1=CC=C(O)C=C1 PharmaGSID_47263 349495-42-7|PharmaGSID_47263|1-ethyl-5-(4-hydroxyphenyl)-3-methyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047263
ERPathway2016 ERPathway2016_1462 PharmaGSID_47263 349495-42-7 DTXSID3047263 ER Pathway Model, Agonist Model Score 0 Unitless CCN1N=C(C)C2=C1C(=O)NCC(=N2)C1=CC=C(O)C=C1 PharmaGSID_47263 349495-42-7|PharmaGSID_47263|1-ethyl-5-(4-hydroxyphenyl)-3-methyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047263
ERPathway2016 ERPathway2016_1462 PharmaGSID_47263 349495-42-7 DTXSID3047263 ER Pathway Model, Antagonist Model Score 0 Unitless CCN1N=C(C)C2=C1C(=O)NCC(=N2)C1=CC=C(O)C=C1 PharmaGSID_47263 349495-42-7|PharmaGSID_47263|1-ethyl-5-(4-hydroxyphenyl)-3-methyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047263
ERPathway2016 ERPathway2016_1462 PharmaGSID_47263 349495-42-7 DTXSID3047263 ER Pathway Model, Agonist Call Inactive Unitless CCN1N=C(C)C2=C1C(=O)NCC(=N2)C1=CC=C(O)C=C1 PharmaGSID_47263 349495-42-7|PharmaGSID_47263|1-ethyl-5-(4-hydroxyphenyl)-3-methyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047263
ERPathway2016 ERPathway2016_1462 PharmaGSID_47263 349495-42-7 DTXSID3047263 ER Pathway Model, Antagonist Call Inactive Unitless CCN1N=C(C)C2=C1C(=O)NCC(=N2)C1=CC=C(O)C=C1 PharmaGSID_47263 349495-42-7|PharmaGSID_47263|1-ethyl-5-(4-hydroxyphenyl)-3-methyl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047263
ARPathway2016 ARPathway2016_176 PharmaGSID_47315 444610-91-7 DTXSID6047315 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 17.7278361938775 uM CCC1=C(OCC(O)=O)C=CC(SCC2=C(CN3CCN(CC3)C3=CC=C(OC)C=C3)N=C(S2)C2=CC=C(C=C2)C(F)(F)F)=C1 PharmaGSID_47315 444610-91-7|PharmaGSID_47315|(2-ethyl-4-{[(4-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl)methyl]sulfanyl}phenoxy)acetic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047315
ARPathway2016 ARPathway2016_176 PharmaGSID_47315 444610-91-7 DTXSID6047315 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 17.61146264 uM CCC1=C(OCC(O)=O)C=CC(SCC2=C(CN3CCN(CC3)C3=CC=C(OC)C=C3)N=C(S2)C2=CC=C(C=C2)C(F)(F)F)=C1 PharmaGSID_47315 444610-91-7|PharmaGSID_47315|(2-ethyl-4-{[(4-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl)methyl]sulfanyl}phenoxy)acetic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047315
ARPathway2016 ARPathway2016_176 PharmaGSID_47315 444610-91-7 DTXSID6047315 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.217 Unitless CCC1=C(OCC(O)=O)C=CC(SCC2=C(CN3CCN(CC3)C3=CC=C(OC)C=C3)N=C(S2)C2=CC=C(C=C2)C(F)(F)F)=C1 PharmaGSID_47315 444610-91-7|PharmaGSID_47315|(2-ethyl-4-{[(4-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl)methyl]sulfanyl}phenoxy)acetic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047315
ARPathway2016 ARPathway2016_176 PharmaGSID_47315 444610-91-7 DTXSID6047315 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCC1=C(OCC(O)=O)C=CC(SCC2=C(CN3CCN(CC3)C3=CC=C(OC)C=C3)N=C(S2)C2=CC=C(C=C2)C(F)(F)F)=C1 PharmaGSID_47315 444610-91-7|PharmaGSID_47315|(2-ethyl-4-{[(4-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl)methyl]sulfanyl}phenoxy)acetic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047315
ARPathway2016 ARPathway2016_176 PharmaGSID_47315 444610-91-7 DTXSID6047315 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCC1=C(OCC(O)=O)C=CC(SCC2=C(CN3CCN(CC3)C3=CC=C(OC)C=C3)N=C(S2)C2=CC=C(C=C2)C(F)(F)F)=C1 PharmaGSID_47315 444610-91-7|PharmaGSID_47315|(2-ethyl-4-{[(4-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl)methyl]sulfanyl}phenoxy)acetic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047315
ARPathway2016 ARPathway2016_176 PharmaGSID_47315 444610-91-7 DTXSID6047315 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCC1=C(OCC(O)=O)C=CC(SCC2=C(CN3CCN(CC3)C3=CC=C(OC)C=C3)N=C(S2)C2=CC=C(C=C2)C(F)(F)F)=C1 PharmaGSID_47315 444610-91-7|PharmaGSID_47315|(2-ethyl-4-{[(4-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl)methyl]sulfanyl}phenoxy)acetic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047315
ERPathway2016 ERPathway2016_645 PharmaGSID_47315 444610-91-7 DTXSID6047315 A13 ER Pathway Model, Agonist Model Score 0 Unitless CCC1=C(OCC(O)=O)C=CC(SCC2=C(CN3CCN(CC3)C3=CC=C(OC)C=C3)N=C(S2)C2=CC=C(C=C2)C(F)(F)F)=C1 PharmaGSID_47315 444610-91-7|PharmaGSID_47315|(2-ethyl-4-{[(4-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl)methyl]sulfanyl}phenoxy)acetic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047315
ERPathway2016 ERPathway2016_645 PharmaGSID_47315 444610-91-7 DTXSID6047315 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=C(OCC(O)=O)C=CC(SCC2=C(CN3CCN(CC3)C3=CC=C(OC)C=C3)N=C(S2)C2=CC=C(C=C2)C(F)(F)F)=C1 PharmaGSID_47315 444610-91-7|PharmaGSID_47315|(2-ethyl-4-{[(4-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl)methyl]sulfanyl}phenoxy)acetic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047315
ERPathway2016 ERPathway2016_645 PharmaGSID_47315 444610-91-7 DTXSID6047315 A13 ER Pathway Model, Agonist Call Inactive Unitless CCC1=C(OCC(O)=O)C=CC(SCC2=C(CN3CCN(CC3)C3=CC=C(OC)C=C3)N=C(S2)C2=CC=C(C=C2)C(F)(F)F)=C1 PharmaGSID_47315 444610-91-7|PharmaGSID_47315|(2-ethyl-4-{[(4-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl)methyl]sulfanyl}phenoxy)acetic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047315
ERPathway2016 ERPathway2016_645 PharmaGSID_47315 444610-91-7 DTXSID6047315 A13 ER Pathway Model, Antagonist Call Inactive Unitless CCC1=C(OCC(O)=O)C=CC(SCC2=C(CN3CCN(CC3)C3=CC=C(OC)C=C3)N=C(S2)C2=CC=C(C=C2)C(F)(F)F)=C1 PharmaGSID_47315 444610-91-7|PharmaGSID_47315|(2-ethyl-4-{[(4-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl)methyl]sulfanyl}phenoxy)acetic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047315
ARPathway2016 ARPathway2016_330 PharmaGSID_47330 NOCAS_47330 DTXSID9047330 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Agonist AC50 33.79615052 uM CC(C)(O)C1=NC2=NC=C(N2N=C1)C1=CC(=C(F)C=C1)C1=C(C=CC=C1F)C#N PharmaGSID_47330 NOCAS_47330|PharmaGSID_47330|2',6-difluoro-5'-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]biphenyl-2-carbonitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047330
ARPathway2016 ARPathway2016_330 PharmaGSID_47330 NOCAS_47330 DTXSID9047330 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Agonist ACC 49.4624199429998 uM CC(C)(O)C1=NC2=NC=C(N2N=C1)C1=CC(=C(F)C=C1)C1=C(C=CC=C1F)C#N PharmaGSID_47330 NOCAS_47330|PharmaGSID_47330|2',6-difluoro-5'-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]biphenyl-2-carbonitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047330
ARPathway2016 ARPathway2016_330 PharmaGSID_47330 NOCAS_47330 DTXSID9047330 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Antagonist Model Score 0.0356 Unitless CC(C)(O)C1=NC2=NC=C(N2N=C1)C1=CC(=C(F)C=C1)C1=C(C=CC=C1F)C#N PharmaGSID_47330 NOCAS_47330|PharmaGSID_47330|2',6-difluoro-5'-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]biphenyl-2-carbonitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047330
ARPathway2016 ARPathway2016_330 PharmaGSID_47330 NOCAS_47330 DTXSID9047330 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(O)C1=NC2=NC=C(N2N=C1)C1=CC(=C(F)C=C1)C1=C(C=CC=C1F)C#N PharmaGSID_47330 NOCAS_47330|PharmaGSID_47330|2',6-difluoro-5'-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]biphenyl-2-carbonitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047330
ARPathway2016 ARPathway2016_330 PharmaGSID_47330 NOCAS_47330 DTXSID9047330 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Agonist Call Active Unitless CC(C)(O)C1=NC2=NC=C(N2N=C1)C1=CC(=C(F)C=C1)C1=C(C=CC=C1F)C#N PharmaGSID_47330 NOCAS_47330|PharmaGSID_47330|2',6-difluoro-5'-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]biphenyl-2-carbonitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047330
ARPathway2016 ARPathway2016_330 PharmaGSID_47330 NOCAS_47330 DTXSID9047330 True antagonist shift (No hit/Hit) 3.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(O)C1=NC2=NC=C(N2N=C1)C1=CC(=C(F)C=C1)C1=C(C=CC=C1F)C#N PharmaGSID_47330 NOCAS_47330|PharmaGSID_47330|2',6-difluoro-5'-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]biphenyl-2-carbonitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047330
ERPathway2016 ERPathway2016_631 PharmaGSID_47330 NOCAS_47330 DTXSID9047330 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(O)C1=NC2=NC=C(N2N=C1)C1=CC(=C(F)C=C1)C1=C(C=CC=C1F)C#N PharmaGSID_47330 NOCAS_47330|PharmaGSID_47330|2',6-difluoro-5'-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]biphenyl-2-carbonitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047330
ERPathway2016 ERPathway2016_631 PharmaGSID_47330 NOCAS_47330 DTXSID9047330 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(O)C1=NC2=NC=C(N2N=C1)C1=CC(=C(F)C=C1)C1=C(C=CC=C1F)C#N PharmaGSID_47330 NOCAS_47330|PharmaGSID_47330|2',6-difluoro-5'-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]biphenyl-2-carbonitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047330
ERPathway2016 ERPathway2016_631 PharmaGSID_47330 NOCAS_47330 DTXSID9047330 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(O)C1=NC2=NC=C(N2N=C1)C1=CC(=C(F)C=C1)C1=C(C=CC=C1F)C#N PharmaGSID_47330 NOCAS_47330|PharmaGSID_47330|2',6-difluoro-5'-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]biphenyl-2-carbonitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047330
ERPathway2016 ERPathway2016_631 PharmaGSID_47330 NOCAS_47330 DTXSID9047330 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(O)C1=NC2=NC=C(N2N=C1)C1=CC(=C(F)C=C1)C1=C(C=CC=C1F)C#N PharmaGSID_47330 NOCAS_47330|PharmaGSID_47330|2',6-difluoro-5'-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]biphenyl-2-carbonitrile https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047330
ARPathway2016 ARPathway2016_1842 PharmaGSID_47333 NOCAS_47333 DTXSID4047333 1.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=NC=C(C=N1)[C@@H](CCCCCCC1=NC2=C(CCCN2)C=C1)CC(O)=O PharmaGSID_47333 NOCAS_47333|PharmaGSID_47333|(3S)-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047333
ARPathway2016 ARPathway2016_1842 PharmaGSID_47333 NOCAS_47333 DTXSID4047333 1.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CC1=NC=C(C=N1)[C@@H](CCCCCCC1=NC2=C(CCCN2)C=C1)CC(O)=O PharmaGSID_47333 NOCAS_47333|PharmaGSID_47333|(3S)-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047333
ARPathway2016 ARPathway2016_1842 PharmaGSID_47333 NOCAS_47333 DTXSID4047333 1.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CC1=NC=C(C=N1)[C@@H](CCCCCCC1=NC2=C(CCCN2)C=C1)CC(O)=O PharmaGSID_47333 NOCAS_47333|PharmaGSID_47333|(3S)-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047333
ARPathway2016 ARPathway2016_1842 PharmaGSID_47333 NOCAS_47333 DTXSID4047333 1.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CC1=NC=C(C=N1)[C@@H](CCCCCCC1=NC2=C(CCCN2)C=C1)CC(O)=O PharmaGSID_47333 NOCAS_47333|PharmaGSID_47333|(3S)-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047333
ERPathway2016 ERPathway2016_1810 PharmaGSID_47333 NOCAS_47333 DTXSID4047333 ER Pathway Model, Agonist Model Score 0 Unitless CC1=NC=C(C=N1)[C@@H](CCCCCCC1=NC2=C(CCCN2)C=C1)CC(O)=O PharmaGSID_47333 NOCAS_47333|PharmaGSID_47333|(3S)-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047333
ERPathway2016 ERPathway2016_1810 PharmaGSID_47333 NOCAS_47333 DTXSID4047333 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=NC=C(C=N1)[C@@H](CCCCCCC1=NC2=C(CCCN2)C=C1)CC(O)=O PharmaGSID_47333 NOCAS_47333|PharmaGSID_47333|(3S)-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047333
ERPathway2016 ERPathway2016_1810 PharmaGSID_47333 NOCAS_47333 DTXSID4047333 ER Pathway Model, Agonist Call Inactive Unitless CC1=NC=C(C=N1)[C@@H](CCCCCCC1=NC2=C(CCCN2)C=C1)CC(O)=O PharmaGSID_47333 NOCAS_47333|PharmaGSID_47333|(3S)-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047333
ERPathway2016 ERPathway2016_1810 PharmaGSID_47333 NOCAS_47333 DTXSID4047333 ER Pathway Model, Antagonist Call Inactive Unitless CC1=NC=C(C=N1)[C@@H](CCCCCCC1=NC2=C(CCCN2)C=C1)CC(O)=O PharmaGSID_47333 NOCAS_47333|PharmaGSID_47333|(3S)-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047333
ARPathway2016 ARPathway2016_12 PharmaGSID_47337 1061517-62-1 DTXSID4047337 1.0 A3 AR Pathway Model, Agonist AC50 19.5176212199501 uM [Na+].CCOC1=CC(=CC=C1)N1C=C(N=C1C1=CC=C(C)C=C1)C(=O)N1CCN(CC1)C1=CC2=CC=CC=C2C(=C1)C([O-])=O PharmaGSID_47337 1061517-62-1|PharmaGSID_47337|sodium 3-(4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}piperazin-1-yl)naphthalene-1-carboxylate https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047337
ARPathway2016 ARPathway2016_12 PharmaGSID_47337 1061517-62-1 DTXSID4047337 1.0 A3 AR Pathway Model, Agonist ACC 20.61939592 uM [Na+].CCOC1=CC(=CC=C1)N1C=C(N=C1C1=CC=C(C)C=C1)C(=O)N1CCN(CC1)C1=CC2=CC=CC=C2C(=C1)C([O-])=O PharmaGSID_47337 1061517-62-1|PharmaGSID_47337|sodium 3-(4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}piperazin-1-yl)naphthalene-1-carboxylate https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047337
ARPathway2016 ARPathway2016_12 PharmaGSID_47337 1061517-62-1 DTXSID4047337 1.0 A3 AR Pathway Model, Antagonist Model Score 0.0424 Unitless [Na+].CCOC1=CC(=CC=C1)N1C=C(N=C1C1=CC=C(C)C=C1)C(=O)N1CCN(CC1)C1=CC2=CC=CC=C2C(=C1)C([O-])=O PharmaGSID_47337 1061517-62-1|PharmaGSID_47337|sodium 3-(4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}piperazin-1-yl)naphthalene-1-carboxylate https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047337
ARPathway2016 ARPathway2016_12 PharmaGSID_47337 1061517-62-1 DTXSID4047337 1.0 A3 AR Pathway Model, Agonist Model Score 0.0209 Unitless [Na+].CCOC1=CC(=CC=C1)N1C=C(N=C1C1=CC=C(C)C=C1)C(=O)N1CCN(CC1)C1=CC2=CC=CC=C2C(=C1)C([O-])=O PharmaGSID_47337 1061517-62-1|PharmaGSID_47337|sodium 3-(4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}piperazin-1-yl)naphthalene-1-carboxylate https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047337
ARPathway2016 ARPathway2016_12 PharmaGSID_47337 1061517-62-1 DTXSID4047337 1.0 A3 AR Pathway Model, Agonist Call Active Unitless [Na+].CCOC1=CC(=CC=C1)N1C=C(N=C1C1=CC=C(C)C=C1)C(=O)N1CCN(CC1)C1=CC2=CC=CC=C2C(=C1)C([O-])=O PharmaGSID_47337 1061517-62-1|PharmaGSID_47337|sodium 3-(4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}piperazin-1-yl)naphthalene-1-carboxylate https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047337
ARPathway2016 ARPathway2016_12 PharmaGSID_47337 1061517-62-1 DTXSID4047337 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CCOC1=CC(=CC=C1)N1C=C(N=C1C1=CC=C(C)C=C1)C(=O)N1CCN(CC1)C1=CC2=CC=CC=C2C(=C1)C([O-])=O PharmaGSID_47337 1061517-62-1|PharmaGSID_47337|sodium 3-(4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}piperazin-1-yl)naphthalene-1-carboxylate https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047337
ERPathway2016 ERPathway2016_649 PharmaGSID_47337 1061517-62-1 DTXSID4047337 A17 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CCOC1=CC(=CC=C1)N1C=C(N=C1C1=CC=C(C)C=C1)C(=O)N1CCN(CC1)C1=CC2=CC=CC=C2C(=C1)C([O-])=O PharmaGSID_47337 1061517-62-1|PharmaGSID_47337|sodium 3-(4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}piperazin-1-yl)naphthalene-1-carboxylate https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047337
ERPathway2016 ERPathway2016_649 PharmaGSID_47337 1061517-62-1 DTXSID4047337 A17 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCOC1=CC(=CC=C1)N1C=C(N=C1C1=CC=C(C)C=C1)C(=O)N1CCN(CC1)C1=CC2=CC=CC=C2C(=C1)C([O-])=O PharmaGSID_47337 1061517-62-1|PharmaGSID_47337|sodium 3-(4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}piperazin-1-yl)naphthalene-1-carboxylate https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047337
ERPathway2016 ERPathway2016_649 PharmaGSID_47337 1061517-62-1 DTXSID4047337 A17 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CCOC1=CC(=CC=C1)N1C=C(N=C1C1=CC=C(C)C=C1)C(=O)N1CCN(CC1)C1=CC2=CC=CC=C2C(=C1)C([O-])=O PharmaGSID_47337 1061517-62-1|PharmaGSID_47337|sodium 3-(4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}piperazin-1-yl)naphthalene-1-carboxylate https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047337
ERPathway2016 ERPathway2016_649 PharmaGSID_47337 1061517-62-1 DTXSID4047337 A17 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CCOC1=CC(=CC=C1)N1C=C(N=C1C1=CC=C(C)C=C1)C(=O)N1CCN(CC1)C1=CC2=CC=CC=C2C(=C1)C([O-])=O PharmaGSID_47337 1061517-62-1|PharmaGSID_47337|sodium 3-(4-{[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}piperazin-1-yl)naphthalene-1-carboxylate https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047337
ARPathway2016 ARPathway2016_341 PharmaGSID_48166 NOCAS_48166 DTXSID7048166 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist AC50 1.694352594 uM COC1=CC(C=O)=CC2=C1[C@H](COC(N)=O)[C@]1(OC(C)=O)ON2C[C@H]2[C@@H]1N2C(C)=O PharmaGSID_48166 NOCAS_48166|PharmaGSID_48166|(1aS,8R,9S,9aS)-1-Acetyl-8-[(carbamoyloxy)methyl]-5-formyl-7-methoxy-1,1a,2,9a-tetrahydro-3,9-epoxyazireno[2,3-c][1]benzazocin-9(8H)-yl acetate|(8R,9S,10S,12S)-11-Acetyl-8-[(carbamoyloxy)methyl]-4-formyl-6-methoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2,4,6-trien-9-yl acetate|3,9-Epoxy-3H-azirino[2,3-c][1]benzazocine-5-carboxaldehyde, 1-acetyl-9-(acetyloxy)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-7-methoxy-, (1aS,8R,9S,9aS)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7048166
ARPathway2016 ARPathway2016_341 PharmaGSID_48166 NOCAS_48166 DTXSID7048166 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist ACC 2.167344409 uM COC1=CC(C=O)=CC2=C1[C@H](COC(N)=O)[C@]1(OC(C)=O)ON2C[C@H]2[C@@H]1N2C(C)=O PharmaGSID_48166 NOCAS_48166|PharmaGSID_48166|(1aS,8R,9S,9aS)-1-Acetyl-8-[(carbamoyloxy)methyl]-5-formyl-7-methoxy-1,1a,2,9a-tetrahydro-3,9-epoxyazireno[2,3-c][1]benzazocin-9(8H)-yl acetate|(8R,9S,10S,12S)-11-Acetyl-8-[(carbamoyloxy)methyl]-4-formyl-6-methoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2,4,6-trien-9-yl acetate|3,9-Epoxy-3H-azirino[2,3-c][1]benzazocine-5-carboxaldehyde, 1-acetyl-9-(acetyloxy)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-7-methoxy-, (1aS,8R,9S,9aS)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7048166
ARPathway2016 ARPathway2016_341 PharmaGSID_48166 NOCAS_48166 DTXSID7048166 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Antagonist Model Score 0.07 Unitless COC1=CC(C=O)=CC2=C1[C@H](COC(N)=O)[C@]1(OC(C)=O)ON2C[C@H]2[C@@H]1N2C(C)=O PharmaGSID_48166 NOCAS_48166|PharmaGSID_48166|(1aS,8R,9S,9aS)-1-Acetyl-8-[(carbamoyloxy)methyl]-5-formyl-7-methoxy-1,1a,2,9a-tetrahydro-3,9-epoxyazireno[2,3-c][1]benzazocin-9(8H)-yl acetate|(8R,9S,10S,12S)-11-Acetyl-8-[(carbamoyloxy)methyl]-4-formyl-6-methoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2,4,6-trien-9-yl acetate|3,9-Epoxy-3H-azirino[2,3-c][1]benzazocine-5-carboxaldehyde, 1-acetyl-9-(acetyloxy)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-7-methoxy-, (1aS,8R,9S,9aS)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7048166
ARPathway2016 ARPathway2016_341 PharmaGSID_48166 NOCAS_48166 DTXSID7048166 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC(C=O)=CC2=C1[C@H](COC(N)=O)[C@]1(OC(C)=O)ON2C[C@H]2[C@@H]1N2C(C)=O PharmaGSID_48166 NOCAS_48166|PharmaGSID_48166|(1aS,8R,9S,9aS)-1-Acetyl-8-[(carbamoyloxy)methyl]-5-formyl-7-methoxy-1,1a,2,9a-tetrahydro-3,9-epoxyazireno[2,3-c][1]benzazocin-9(8H)-yl acetate|(8R,9S,10S,12S)-11-Acetyl-8-[(carbamoyloxy)methyl]-4-formyl-6-methoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2,4,6-trien-9-yl acetate|3,9-Epoxy-3H-azirino[2,3-c][1]benzazocine-5-carboxaldehyde, 1-acetyl-9-(acetyloxy)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-7-methoxy-, (1aS,8R,9S,9aS)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7048166
ARPathway2016 ARPathway2016_341 PharmaGSID_48166 NOCAS_48166 DTXSID7048166 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist Call Active Unitless COC1=CC(C=O)=CC2=C1[C@H](COC(N)=O)[C@]1(OC(C)=O)ON2C[C@H]2[C@@H]1N2C(C)=O PharmaGSID_48166 NOCAS_48166|PharmaGSID_48166|(1aS,8R,9S,9aS)-1-Acetyl-8-[(carbamoyloxy)methyl]-5-formyl-7-methoxy-1,1a,2,9a-tetrahydro-3,9-epoxyazireno[2,3-c][1]benzazocin-9(8H)-yl acetate|(8R,9S,10S,12S)-11-Acetyl-8-[(carbamoyloxy)methyl]-4-formyl-6-methoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2,4,6-trien-9-yl acetate|3,9-Epoxy-3H-azirino[2,3-c][1]benzazocine-5-carboxaldehyde, 1-acetyl-9-(acetyloxy)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-7-methoxy-, (1aS,8R,9S,9aS)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7048166
ARPathway2016 ARPathway2016_341 PharmaGSID_48166 NOCAS_48166 DTXSID7048166 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC(C=O)=CC2=C1[C@H](COC(N)=O)[C@]1(OC(C)=O)ON2C[C@H]2[C@@H]1N2C(C)=O PharmaGSID_48166 NOCAS_48166|PharmaGSID_48166|(1aS,8R,9S,9aS)-1-Acetyl-8-[(carbamoyloxy)methyl]-5-formyl-7-methoxy-1,1a,2,9a-tetrahydro-3,9-epoxyazireno[2,3-c][1]benzazocin-9(8H)-yl acetate|(8R,9S,10S,12S)-11-Acetyl-8-[(carbamoyloxy)methyl]-4-formyl-6-methoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2,4,6-trien-9-yl acetate|3,9-Epoxy-3H-azirino[2,3-c][1]benzazocine-5-carboxaldehyde, 1-acetyl-9-(acetyloxy)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-7-methoxy-, (1aS,8R,9S,9aS)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID7048166
ARPathway2016 ARPathway2016_342 PharmaGSID_48172 NOCAS_48172 DTXSID1048172 FLAG: Antagonist shift, but CI overlap 3.0 AR Pathway Model, Agonist AC50 39.51704036 uM OC(=O)C=CC(O)=O.O=C1N(CCC2=NOC(=N2)C2=CC=C(CN3CCCCCC3)S2)C(=O)C2=C1C=CC=C2 PharmaGSID_48172 NOCAS_48172|PharmaGSID_48172|2-(2-{5-[5-(Azepan-1-ylmethyl)-2-thienyl]-1,2,4-oxadiazol-3-yl}ethyl)-1H-isoindole-1,3(2H)-dione (2E)-but-2-enedioate (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048172
ARPathway2016 ARPathway2016_342 PharmaGSID_48172 NOCAS_48172 DTXSID1048172 FLAG: Antagonist shift, but CI overlap 3.0 AR Pathway Model, Agonist ACC 42.17840152 uM OC(=O)C=CC(O)=O.O=C1N(CCC2=NOC(=N2)C2=CC=C(CN3CCCCCC3)S2)C(=O)C2=C1C=CC=C2 PharmaGSID_48172 NOCAS_48172|PharmaGSID_48172|2-(2-{5-[5-(Azepan-1-ylmethyl)-2-thienyl]-1,2,4-oxadiazol-3-yl}ethyl)-1H-isoindole-1,3(2H)-dione (2E)-but-2-enedioate (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048172
ARPathway2016 ARPathway2016_342 PharmaGSID_48172 NOCAS_48172 DTXSID1048172 FLAG: Antagonist shift, but CI overlap 3.0 AR Pathway Model, Antagonist Model Score 0.0268 Unitless OC(=O)C=CC(O)=O.O=C1N(CCC2=NOC(=N2)C2=CC=C(CN3CCCCCC3)S2)C(=O)C2=C1C=CC=C2 PharmaGSID_48172 NOCAS_48172|PharmaGSID_48172|2-(2-{5-[5-(Azepan-1-ylmethyl)-2-thienyl]-1,2,4-oxadiazol-3-yl}ethyl)-1H-isoindole-1,3(2H)-dione (2E)-but-2-enedioate (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048172
ARPathway2016 ARPathway2016_342 PharmaGSID_48172 NOCAS_48172 DTXSID1048172 FLAG: Antagonist shift, but CI overlap 3.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C=CC(O)=O.O=C1N(CCC2=NOC(=N2)C2=CC=C(CN3CCCCCC3)S2)C(=O)C2=C1C=CC=C2 PharmaGSID_48172 NOCAS_48172|PharmaGSID_48172|2-(2-{5-[5-(Azepan-1-ylmethyl)-2-thienyl]-1,2,4-oxadiazol-3-yl}ethyl)-1H-isoindole-1,3(2H)-dione (2E)-but-2-enedioate (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048172
ARPathway2016 ARPathway2016_342 PharmaGSID_48172 NOCAS_48172 DTXSID1048172 FLAG: Antagonist shift, but CI overlap 3.0 AR Pathway Model, Agonist Call Active Unitless OC(=O)C=CC(O)=O.O=C1N(CCC2=NOC(=N2)C2=CC=C(CN3CCCCCC3)S2)C(=O)C2=C1C=CC=C2 PharmaGSID_48172 NOCAS_48172|PharmaGSID_48172|2-(2-{5-[5-(Azepan-1-ylmethyl)-2-thienyl]-1,2,4-oxadiazol-3-yl}ethyl)-1H-isoindole-1,3(2H)-dione (2E)-but-2-enedioate (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048172
ARPathway2016 ARPathway2016_342 PharmaGSID_48172 NOCAS_48172 DTXSID1048172 FLAG: Antagonist shift, but CI overlap 3.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C=CC(O)=O.O=C1N(CCC2=NOC(=N2)C2=CC=C(CN3CCCCCC3)S2)C(=O)C2=C1C=CC=C2 PharmaGSID_48172 NOCAS_48172|PharmaGSID_48172|2-(2-{5-[5-(Azepan-1-ylmethyl)-2-thienyl]-1,2,4-oxadiazol-3-yl}ethyl)-1H-isoindole-1,3(2H)-dione (2E)-but-2-enedioate (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048172
ARPathway2016 ARPathway2016_343 PharmaGSID_48505 NOCAS_48505 DTXSID0048505 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 30.7674350441186 uM CC1=C2N=C(C3=CC=CC=C3Cl)C3=C(NC2=NN1)C=CC(=C3)[N+]([O-])=O PharmaGSID_48505 NOCAS_48505|PharmaGSID_48505|5-(2-Chlorophenyl)-3-methyl-7-nitro-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048505
ARPathway2016 ARPathway2016_343 PharmaGSID_48505 NOCAS_48505 DTXSID0048505 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 8.26443984112197 uM CC1=C2N=C(C3=CC=CC=C3Cl)C3=C(NC2=NN1)C=CC(=C3)[N+]([O-])=O PharmaGSID_48505 NOCAS_48505|PharmaGSID_48505|5-(2-Chlorophenyl)-3-methyl-7-nitro-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048505
ARPathway2016 ARPathway2016_343 PharmaGSID_48505 NOCAS_48505 DTXSID0048505 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.145 Unitless CC1=C2N=C(C3=CC=CC=C3Cl)C3=C(NC2=NN1)C=CC(=C3)[N+]([O-])=O PharmaGSID_48505 NOCAS_48505|PharmaGSID_48505|5-(2-Chlorophenyl)-3-methyl-7-nitro-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048505
ARPathway2016 ARPathway2016_343 PharmaGSID_48505 NOCAS_48505 DTXSID0048505 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC1=C2N=C(C3=CC=CC=C3Cl)C3=C(NC2=NN1)C=CC(=C3)[N+]([O-])=O PharmaGSID_48505 NOCAS_48505|PharmaGSID_48505|5-(2-Chlorophenyl)-3-methyl-7-nitro-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048505
ARPathway2016 ARPathway2016_343 PharmaGSID_48505 NOCAS_48505 DTXSID0048505 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC1=C2N=C(C3=CC=CC=C3Cl)C3=C(NC2=NN1)C=CC(=C3)[N+]([O-])=O PharmaGSID_48505 NOCAS_48505|PharmaGSID_48505|5-(2-Chlorophenyl)-3-methyl-7-nitro-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048505
ARPathway2016 ARPathway2016_343 PharmaGSID_48505 NOCAS_48505 DTXSID0048505 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC1=C2N=C(C3=CC=CC=C3Cl)C3=C(NC2=NN1)C=CC(=C3)[N+]([O-])=O PharmaGSID_48505 NOCAS_48505|PharmaGSID_48505|5-(2-Chlorophenyl)-3-methyl-7-nitro-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048505
ARPathway2016 ARPathway2016_226 PharmaGSID_48506 588941-45-1 DTXSID5048506 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 31.8678536 uM CS(=O)(=O)C1=CC=C(C=C1Cl)[C@@H](CC1CCCC1)C(=O)NC1=NC=CN=C1 PharmaGSID_48506 588941-45-1|PharmaGSID_48506|(2R)-2-[3-Chloro-4-(methylsulfonyl)phenyl]-3-cyclopentyl-N-(pyrazin-2-yl)propanamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048506
ARPathway2016 ARPathway2016_226 PharmaGSID_48506 588941-45-1 DTXSID5048506 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 30.6629383233673 uM CS(=O)(=O)C1=CC=C(C=C1Cl)[C@@H](CC1CCCC1)C(=O)NC1=NC=CN=C1 PharmaGSID_48506 588941-45-1|PharmaGSID_48506|(2R)-2-[3-Chloro-4-(methylsulfonyl)phenyl]-3-cyclopentyl-N-(pyrazin-2-yl)propanamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048506
ARPathway2016 ARPathway2016_226 PharmaGSID_48506 588941-45-1 DTXSID5048506 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.177 Unitless CS(=O)(=O)C1=CC=C(C=C1Cl)[C@@H](CC1CCCC1)C(=O)NC1=NC=CN=C1 PharmaGSID_48506 588941-45-1|PharmaGSID_48506|(2R)-2-[3-Chloro-4-(methylsulfonyl)phenyl]-3-cyclopentyl-N-(pyrazin-2-yl)propanamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048506
ARPathway2016 ARPathway2016_226 PharmaGSID_48506 588941-45-1 DTXSID5048506 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CS(=O)(=O)C1=CC=C(C=C1Cl)[C@@H](CC1CCCC1)C(=O)NC1=NC=CN=C1 PharmaGSID_48506 588941-45-1|PharmaGSID_48506|(2R)-2-[3-Chloro-4-(methylsulfonyl)phenyl]-3-cyclopentyl-N-(pyrazin-2-yl)propanamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048506
ARPathway2016 ARPathway2016_226 PharmaGSID_48506 588941-45-1 DTXSID5048506 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CS(=O)(=O)C1=CC=C(C=C1Cl)[C@@H](CC1CCCC1)C(=O)NC1=NC=CN=C1 PharmaGSID_48506 588941-45-1|PharmaGSID_48506|(2R)-2-[3-Chloro-4-(methylsulfonyl)phenyl]-3-cyclopentyl-N-(pyrazin-2-yl)propanamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048506
ARPathway2016 ARPathway2016_226 PharmaGSID_48506 588941-45-1 DTXSID5048506 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CS(=O)(=O)C1=CC=C(C=C1Cl)[C@@H](CC1CCCC1)C(=O)NC1=NC=CN=C1 PharmaGSID_48506 588941-45-1|PharmaGSID_48506|(2R)-2-[3-Chloro-4-(methylsulfonyl)phenyl]-3-cyclopentyl-N-(pyrazin-2-yl)propanamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048506
ARPathway2016 ARPathway2016_1851 PharmaGSID_48507 NOCAS_48507 DTXSID0048507 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.CN1C(=O)C=C(OC2=C(F)C=C(F)C=C2)C2=C1N=C(NCC(C)(C)O)N=C2 PharmaGSID_48507 NOCAS_48507|PharmaGSID_48507|5-(2,4-Difluorophenoxy)-2-[(2-hydroxy-2-methylpropyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048507
ARPathway2016 ARPathway2016_1851 PharmaGSID_48507 NOCAS_48507 DTXSID0048507 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless Cl.CN1C(=O)C=C(OC2=C(F)C=C(F)C=C2)C2=C1N=C(NCC(C)(C)O)N=C2 PharmaGSID_48507 NOCAS_48507|PharmaGSID_48507|5-(2,4-Difluorophenoxy)-2-[(2-hydroxy-2-methylpropyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048507
ARPathway2016 ARPathway2016_1851 PharmaGSID_48507 NOCAS_48507 DTXSID0048507 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless Cl.CN1C(=O)C=C(OC2=C(F)C=C(F)C=C2)C2=C1N=C(NCC(C)(C)O)N=C2 PharmaGSID_48507 NOCAS_48507|PharmaGSID_48507|5-(2,4-Difluorophenoxy)-2-[(2-hydroxy-2-methylpropyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048507
ARPathway2016 ARPathway2016_1851 PharmaGSID_48507 NOCAS_48507 DTXSID0048507 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless Cl.CN1C(=O)C=C(OC2=C(F)C=C(F)C=C2)C2=C1N=C(NCC(C)(C)O)N=C2 PharmaGSID_48507 NOCAS_48507|PharmaGSID_48507|5-(2,4-Difluorophenoxy)-2-[(2-hydroxy-2-methylpropyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048507
ARPathway2016 ARPathway2016_1852 PharmaGSID_48509 NOCAS_48509 DTXSID0048509 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCN(C1CCN(CC1)C(=O)C1CCNCC1)[C@@H]1CCC2=C(C1)C=C(OC)C=C2 PharmaGSID_48509 NOCAS_48509|PharmaGSID_48509|(4-{[(2R)-7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-yl](propyl)amino}piperidin-1-yl)(piperidin-4-yl)methanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048509
ARPathway2016 ARPathway2016_1852 PharmaGSID_48509 NOCAS_48509 DTXSID0048509 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCN(C1CCN(CC1)C(=O)C1CCNCC1)[C@@H]1CCC2=C(C1)C=C(OC)C=C2 PharmaGSID_48509 NOCAS_48509|PharmaGSID_48509|(4-{[(2R)-7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-yl](propyl)amino}piperidin-1-yl)(piperidin-4-yl)methanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048509
ARPathway2016 ARPathway2016_1852 PharmaGSID_48509 NOCAS_48509 DTXSID0048509 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCN(C1CCN(CC1)C(=O)C1CCNCC1)[C@@H]1CCC2=C(C1)C=C(OC)C=C2 PharmaGSID_48509 NOCAS_48509|PharmaGSID_48509|(4-{[(2R)-7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-yl](propyl)amino}piperidin-1-yl)(piperidin-4-yl)methanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048509
ARPathway2016 ARPathway2016_1852 PharmaGSID_48509 NOCAS_48509 DTXSID0048509 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCN(C1CCN(CC1)C(=O)C1CCNCC1)[C@@H]1CCC2=C(C1)C=C(OC)C=C2 PharmaGSID_48509 NOCAS_48509|PharmaGSID_48509|(4-{[(2R)-7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-yl](propyl)amino}piperidin-1-yl)(piperidin-4-yl)methanone https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048509
ARPathway2016 ARPathway2016_178 PharmaGSID_48510 460081-99-6 DTXSID9048510 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 28.24136966 uM OC(=O)C1=CC(=CC=C1)N(CC1=CN=CC=C1)C1=CC=C(OC(F)F)C(OC(F)F)=C1 PharmaGSID_48510 460081-99-6|PharmaGSID_48510|3-{[3,4-Bis(difluoromethoxy)phenyl](pyridin-3-ylmethyl)amino}benzoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048510
ARPathway2016 ARPathway2016_178 PharmaGSID_48510 460081-99-6 DTXSID9048510 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 38.55397694 uM OC(=O)C1=CC(=CC=C1)N(CC1=CN=CC=C1)C1=CC=C(OC(F)F)C(OC(F)F)=C1 PharmaGSID_48510 460081-99-6|PharmaGSID_48510|3-{[3,4-Bis(difluoromethoxy)phenyl](pyridin-3-ylmethyl)amino}benzoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048510
ARPathway2016 ARPathway2016_178 PharmaGSID_48510 460081-99-6 DTXSID9048510 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.271 Unitless OC(=O)C1=CC(=CC=C1)N(CC1=CN=CC=C1)C1=CC=C(OC(F)F)C(OC(F)F)=C1 PharmaGSID_48510 460081-99-6|PharmaGSID_48510|3-{[3,4-Bis(difluoromethoxy)phenyl](pyridin-3-ylmethyl)amino}benzoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048510
ARPathway2016 ARPathway2016_178 PharmaGSID_48510 460081-99-6 DTXSID9048510 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0.00437 Unitless OC(=O)C1=CC(=CC=C1)N(CC1=CN=CC=C1)C1=CC=C(OC(F)F)C(OC(F)F)=C1 PharmaGSID_48510 460081-99-6|PharmaGSID_48510|3-{[3,4-Bis(difluoromethoxy)phenyl](pyridin-3-ylmethyl)amino}benzoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048510
ARPathway2016 ARPathway2016_178 PharmaGSID_48510 460081-99-6 DTXSID9048510 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC(=O)C1=CC(=CC=C1)N(CC1=CN=CC=C1)C1=CC=C(OC(F)F)C(OC(F)F)=C1 PharmaGSID_48510 460081-99-6|PharmaGSID_48510|3-{[3,4-Bis(difluoromethoxy)phenyl](pyridin-3-ylmethyl)amino}benzoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048510
ARPathway2016 ARPathway2016_178 PharmaGSID_48510 460081-99-6 DTXSID9048510 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC(=CC=C1)N(CC1=CN=CC=C1)C1=CC=C(OC(F)F)C(OC(F)F)=C1 PharmaGSID_48510 460081-99-6|PharmaGSID_48510|3-{[3,4-Bis(difluoromethoxy)phenyl](pyridin-3-ylmethyl)amino}benzoic acid https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048510
ARPathway2016 ARPathway2016_291 PharmaGSID_48513 825643-57-0 DTXSID4048513 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 18.32716005 uM CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=C(F)C=C1C)N1CC[C@@H](O)[C@H]1CO PharmaGSID_48513 825643-57-0|PharmaGSID_48513|2-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]pyridin-3-yl}-N,2-dimethylpropanamide|825640-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048513
ARPathway2016 ARPathway2016_291 PharmaGSID_48513 825643-57-0 DTXSID4048513 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 16.65488731 uM CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=C(F)C=C1C)N1CC[C@@H](O)[C@H]1CO PharmaGSID_48513 825643-57-0|PharmaGSID_48513|2-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]pyridin-3-yl}-N,2-dimethylpropanamide|825640-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048513
ARPathway2016 ARPathway2016_291 PharmaGSID_48513 825643-57-0 DTXSID4048513 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.301 Unitless CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=C(F)C=C1C)N1CC[C@@H](O)[C@H]1CO PharmaGSID_48513 825643-57-0|PharmaGSID_48513|2-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]pyridin-3-yl}-N,2-dimethylpropanamide|825640-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048513
ARPathway2016 ARPathway2016_291 PharmaGSID_48513 825643-57-0 DTXSID4048513 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=C(F)C=C1C)N1CC[C@@H](O)[C@H]1CO PharmaGSID_48513 825643-57-0|PharmaGSID_48513|2-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]pyridin-3-yl}-N,2-dimethylpropanamide|825640-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048513
ARPathway2016 ARPathway2016_291 PharmaGSID_48513 825643-57-0 DTXSID4048513 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=C(F)C=C1C)N1CC[C@@H](O)[C@H]1CO PharmaGSID_48513 825643-57-0|PharmaGSID_48513|2-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]pyridin-3-yl}-N,2-dimethylpropanamide|825640-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048513
ARPathway2016 ARPathway2016_291 PharmaGSID_48513 825643-57-0 DTXSID4048513 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=C(F)C=C1C)N1CC[C@@H](O)[C@H]1CO PharmaGSID_48513 825643-57-0|PharmaGSID_48513|2-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]pyridin-3-yl}-N,2-dimethylpropanamide|825640-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048513
ARPathway2016 ARPathway2016_1853 PharmaGSID_48514 NOCAS_48514 DTXSID9048514 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].COC1=CC=C(C=CS(=O)(=O)[N-]C(=O)C2=CC=C(C)C=C2Cl)C=C1 PharmaGSID_48514 NOCAS_48514|PharmaGSID_48514|Sodium (2-chloro-4-methylbenzoyl){[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl}azanide https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048514
ARPathway2016 ARPathway2016_1853 PharmaGSID_48514 NOCAS_48514 DTXSID9048514 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].COC1=CC=C(C=CS(=O)(=O)[N-]C(=O)C2=CC=C(C)C=C2Cl)C=C1 PharmaGSID_48514 NOCAS_48514|PharmaGSID_48514|Sodium (2-chloro-4-methylbenzoyl){[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl}azanide https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048514
ARPathway2016 ARPathway2016_1853 PharmaGSID_48514 NOCAS_48514 DTXSID9048514 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].COC1=CC=C(C=CS(=O)(=O)[N-]C(=O)C2=CC=C(C)C=C2Cl)C=C1 PharmaGSID_48514 NOCAS_48514|PharmaGSID_48514|Sodium (2-chloro-4-methylbenzoyl){[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl}azanide https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048514
ARPathway2016 ARPathway2016_1853 PharmaGSID_48514 NOCAS_48514 DTXSID9048514 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].COC1=CC=C(C=CS(=O)(=O)[N-]C(=O)C2=CC=C(C)C=C2Cl)C=C1 PharmaGSID_48514 NOCAS_48514|PharmaGSID_48514|Sodium (2-chloro-4-methylbenzoyl){[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl}azanide https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048514
ARPathway2016 ARPathway2016_1854 PharmaGSID_48516 NOCAS_48516 DTXSID9048516 0.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].FC1=CC=C(C(=O)[N-]S(=O)(=O)C=CC2=CC=CC=C2)C(Cl)=C1 PharmaGSID_48516 NOCAS_48516|PharmaGSID_48516|Sodium (2-chloro-4-fluorobenzoyl){[(E)-2-phenylethenyl]sulfonyl}azanide https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048516
ARPathway2016 ARPathway2016_1854 PharmaGSID_48516 NOCAS_48516 DTXSID9048516 0.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].FC1=CC=C(C(=O)[N-]S(=O)(=O)C=CC2=CC=CC=C2)C(Cl)=C1 PharmaGSID_48516 NOCAS_48516|PharmaGSID_48516|Sodium (2-chloro-4-fluorobenzoyl){[(E)-2-phenylethenyl]sulfonyl}azanide https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048516
ARPathway2016 ARPathway2016_1854 PharmaGSID_48516 NOCAS_48516 DTXSID9048516 0.0 R5 AR Pathway Model, Agonist Call Inactive Unitless [Na+].FC1=CC=C(C(=O)[N-]S(=O)(=O)C=CC2=CC=CC=C2)C(Cl)=C1 PharmaGSID_48516 NOCAS_48516|PharmaGSID_48516|Sodium (2-chloro-4-fluorobenzoyl){[(E)-2-phenylethenyl]sulfonyl}azanide https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048516
ARPathway2016 ARPathway2016_1854 PharmaGSID_48516 NOCAS_48516 DTXSID9048516 0.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].FC1=CC=C(C(=O)[N-]S(=O)(=O)C=CC2=CC=CC=C2)C(Cl)=C1 PharmaGSID_48516 NOCAS_48516|PharmaGSID_48516|Sodium (2-chloro-4-fluorobenzoyl){[(E)-2-phenylethenyl]sulfonyl}azanide https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048516
ARPathway2016 ARPathway2016_1855 PharmaGSID_48518 NOCAS_48518 DTXSID9048518 1.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless FC1=CC(Br)=C(C=C1)C(=O)NS(=O)(=O)C=CC1=CC=CS1 PharmaGSID_48518 NOCAS_48518|PharmaGSID_48518|2-Bromo-4-fluoro-N-{[(E)-2-(thiophen-2-yl)ethenyl]sulfonyl}benzamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048518
ARPathway2016 ARPathway2016_1855 PharmaGSID_48518 NOCAS_48518 DTXSID9048518 1.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless FC1=CC(Br)=C(C=C1)C(=O)NS(=O)(=O)C=CC1=CC=CS1 PharmaGSID_48518 NOCAS_48518|PharmaGSID_48518|2-Bromo-4-fluoro-N-{[(E)-2-(thiophen-2-yl)ethenyl]sulfonyl}benzamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048518
ARPathway2016 ARPathway2016_1855 PharmaGSID_48518 NOCAS_48518 DTXSID9048518 1.0 A3 AR Pathway Model, Agonist Call Inactive Unitless FC1=CC(Br)=C(C=C1)C(=O)NS(=O)(=O)C=CC1=CC=CS1 PharmaGSID_48518 NOCAS_48518|PharmaGSID_48518|2-Bromo-4-fluoro-N-{[(E)-2-(thiophen-2-yl)ethenyl]sulfonyl}benzamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048518
ARPathway2016 ARPathway2016_1855 PharmaGSID_48518 NOCAS_48518 DTXSID9048518 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless FC1=CC(Br)=C(C=C1)C(=O)NS(=O)(=O)C=CC1=CC=CS1 PharmaGSID_48518 NOCAS_48518|PharmaGSID_48518|2-Bromo-4-fluoro-N-{[(E)-2-(thiophen-2-yl)ethenyl]sulfonyl}benzamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048518
ARPathway2016 ARPathway2016_252 PharmaGSID_48519 686756-87-6 DTXSID4048519 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 13.1964553552109 uM CN1C(=O)N(CC2=CN=C(NC3=CC4=C(OC(CO)CO4)C=C3)N=C12)C1=CC=CC=C1Br PharmaGSID_48519 686756-87-6|PharmaGSID_48519|3-(2-Bromophenyl)-7-{[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino}-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048519
ARPathway2016 ARPathway2016_252 PharmaGSID_48519 686756-87-6 DTXSID4048519 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 6.97056254283216 uM CN1C(=O)N(CC2=CN=C(NC3=CC4=C(OC(CO)CO4)C=C3)N=C12)C1=CC=CC=C1Br PharmaGSID_48519 686756-87-6|PharmaGSID_48519|3-(2-Bromophenyl)-7-{[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino}-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048519
ARPathway2016 ARPathway2016_252 PharmaGSID_48519 686756-87-6 DTXSID4048519 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.314 Unitless CN1C(=O)N(CC2=CN=C(NC3=CC4=C(OC(CO)CO4)C=C3)N=C12)C1=CC=CC=C1Br PharmaGSID_48519 686756-87-6|PharmaGSID_48519|3-(2-Bromophenyl)-7-{[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino}-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048519
ARPathway2016 ARPathway2016_252 PharmaGSID_48519 686756-87-6 DTXSID4048519 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CN1C(=O)N(CC2=CN=C(NC3=CC4=C(OC(CO)CO4)C=C3)N=C12)C1=CC=CC=C1Br PharmaGSID_48519 686756-87-6|PharmaGSID_48519|3-(2-Bromophenyl)-7-{[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino}-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048519
ARPathway2016 ARPathway2016_252 PharmaGSID_48519 686756-87-6 DTXSID4048519 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CN1C(=O)N(CC2=CN=C(NC3=CC4=C(OC(CO)CO4)C=C3)N=C12)C1=CC=CC=C1Br PharmaGSID_48519 686756-87-6|PharmaGSID_48519|3-(2-Bromophenyl)-7-{[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino}-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048519
ARPathway2016 ARPathway2016_252 PharmaGSID_48519 686756-87-6 DTXSID4048519 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CN1C(=O)N(CC2=CN=C(NC3=CC4=C(OC(CO)CO4)C=C3)N=C12)C1=CC=CC=C1Br PharmaGSID_48519 686756-87-6|PharmaGSID_48519|3-(2-Bromophenyl)-7-{[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino}-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048519
ARPathway2016 ARPathway2016_656 PharmaGSID_48521 1191914-21-2 DTXSID8048521 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)C1=C(C)N=CN=C1C PharmaGSID_48521 1191914-21-2|PharmaGSID_48521|(5S)-5-Butyl-9-{1-[(4,6-dimethylpyrimidin-5-yl)carbonyl]-4-methylpiperidin-4-yl}-3-(tetrahydro-2H-pyran-4-ylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one https://comptox.epa.gov/dashboard/chemical/details/DTXSID8048521
ARPathway2016 ARPathway2016_656 PharmaGSID_48521 1191914-21-2 DTXSID8048521 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)C1=C(C)N=CN=C1C PharmaGSID_48521 1191914-21-2|PharmaGSID_48521|(5S)-5-Butyl-9-{1-[(4,6-dimethylpyrimidin-5-yl)carbonyl]-4-methylpiperidin-4-yl}-3-(tetrahydro-2H-pyran-4-ylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one https://comptox.epa.gov/dashboard/chemical/details/DTXSID8048521
ARPathway2016 ARPathway2016_656 PharmaGSID_48521 1191914-21-2 DTXSID8048521 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)C1=C(C)N=CN=C1C PharmaGSID_48521 1191914-21-2|PharmaGSID_48521|(5S)-5-Butyl-9-{1-[(4,6-dimethylpyrimidin-5-yl)carbonyl]-4-methylpiperidin-4-yl}-3-(tetrahydro-2H-pyran-4-ylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one https://comptox.epa.gov/dashboard/chemical/details/DTXSID8048521
ARPathway2016 ARPathway2016_656 PharmaGSID_48521 1191914-21-2 DTXSID8048521 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)C1=C(C)N=CN=C1C PharmaGSID_48521 1191914-21-2|PharmaGSID_48521|(5S)-5-Butyl-9-{1-[(4,6-dimethylpyrimidin-5-yl)carbonyl]-4-methylpiperidin-4-yl}-3-(tetrahydro-2H-pyran-4-ylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one https://comptox.epa.gov/dashboard/chemical/details/DTXSID8048521
ARPathway2016 ARPathway2016_1643 Phenanthrene 85-01-8 DTXSID6024254 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2 Phenanthrene 85-01-8|Phenanthrene|[3]Helicene|EINECS 201-581-5|fenantreno, puro|NSC 26256|Phenanthracene|Phenanthren|Phenanthrin|Ravatite|UNII-448J8E5BST https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024254
ARPathway2016 ARPathway2016_1643 Phenanthrene 85-01-8 DTXSID6024254 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2 Phenanthrene 85-01-8|Phenanthrene|[3]Helicene|EINECS 201-581-5|fenantreno, puro|NSC 26256|Phenanthracene|Phenanthren|Phenanthrin|Ravatite|UNII-448J8E5BST https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024254
ARPathway2016 ARPathway2016_1643 Phenanthrene 85-01-8 DTXSID6024254 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2 Phenanthrene 85-01-8|Phenanthrene|[3]Helicene|EINECS 201-581-5|fenantreno, puro|NSC 26256|Phenanthracene|Phenanthren|Phenanthrin|Ravatite|UNII-448J8E5BST https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024254
ARPathway2016 ARPathway2016_1643 Phenanthrene 85-01-8 DTXSID6024254 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2 Phenanthrene 85-01-8|Phenanthrene|[3]Helicene|EINECS 201-581-5|fenantreno, puro|NSC 26256|Phenanthracene|Phenanthren|Phenanthrin|Ravatite|UNII-448J8E5BST https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024254
ERPathway2016 ERPathway2016_872 Phenanthrene 85-01-8 DTXSID6024254 ER Pathway Model, Agonist Model Score 0 Unitless C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2 Phenanthrene 85-01-8|Phenanthrene|[3]Helicene|EINECS 201-581-5|fenantreno, puro|NSC 26256|Phenanthracene|Phenanthren|Phenanthrin|Ravatite|UNII-448J8E5BST https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024254
ERPathway2016 ERPathway2016_872 Phenanthrene 85-01-8 DTXSID6024254 ER Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2 Phenanthrene 85-01-8|Phenanthrene|[3]Helicene|EINECS 201-581-5|fenantreno, puro|NSC 26256|Phenanthracene|Phenanthren|Phenanthrin|Ravatite|UNII-448J8E5BST https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024254
ERPathway2016 ERPathway2016_872 Phenanthrene 85-01-8 DTXSID6024254 ER Pathway Model, Agonist Call Inactive Unitless C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2 Phenanthrene 85-01-8|Phenanthrene|[3]Helicene|EINECS 201-581-5|fenantreno, puro|NSC 26256|Phenanthracene|Phenanthren|Phenanthrin|Ravatite|UNII-448J8E5BST https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024254
ERPathway2016 ERPathway2016_872 Phenanthrene 85-01-8 DTXSID6024254 ER Pathway Model, Antagonist Call Inactive Unitless C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2 Phenanthrene 85-01-8|Phenanthrene|[3]Helicene|EINECS 201-581-5|fenantreno, puro|NSC 26256|Phenanthracene|Phenanthren|Phenanthrin|Ravatite|UNII-448J8E5BST https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024254
ARPathway2016 ARPathway2016_808 Phenmedipham 13684-63-4 DTXSID1024255 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)NC1=CC(OC(=O)NC2=CC=CC(C)=C2)=CC=C1 Phenmedipham 13684-63-4|Phenmedipham|3-((Methoxycarbonyl)amino)phenyl (3-methylphenyl)carbamate|3-((Methoxycarbonyl)amino)phenyl N-(3-methylphenyl)carbamate|3-(Carbomethoxyamino)phenyl 3-methylcarbanilate|3-(methoxyformamido)phenyl (3-methylphenyl)carbamate|3-(Methylphenyl)carbamic acid 3-((methoxycarbonyl)amino)phenyl ester|3-[(methoxycarbonyl)amino]phenyl (3-methylphenyl)carbamate|3-[(Methoxycarbonyl)amino]phenyl N-(3-methylphenyl)carbamate|3-Methoxycarbonyl-N-(3'-methylphenyl)-carbamat|3-methoxycarbonyl-N-(3'-methylphenyl)-carbamate|3-Methoxycarbonylaminophenyl 3'-methylcarbanilate|3-Methoxycarbonylaminophenyl N-3'-methylphenylcarbamate|3-Methoxycarbonylaminophenyl-N-(3'-methylphenyl) carbamate|Betanal|BRN 2395027|Carbamic acid, (3-methylphenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester|Carbamic acid, N-(3-methylphenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester|Caswell No. 648B|EINECS 237-199-0|EPA Pesticide Chemical Code 098701|Fenmedifam|Kemifam|Kemifam FL|Kontakt FCS|m-Hydroxycarbanilic acid methyl ester m-methylcarbanilate|Methyl 3-(3-methy|35067-67-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024255 https://doi.org/10.22427/NTP-DATA-DTXSID1024255
ARPathway2016 ARPathway2016_808 Phenmedipham 13684-63-4 DTXSID1024255 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)NC1=CC(OC(=O)NC2=CC=CC(C)=C2)=CC=C1 Phenmedipham 13684-63-4|Phenmedipham|3-((Methoxycarbonyl)amino)phenyl (3-methylphenyl)carbamate|3-((Methoxycarbonyl)amino)phenyl N-(3-methylphenyl)carbamate|3-(Carbomethoxyamino)phenyl 3-methylcarbanilate|3-(methoxyformamido)phenyl (3-methylphenyl)carbamate|3-(Methylphenyl)carbamic acid 3-((methoxycarbonyl)amino)phenyl ester|3-[(methoxycarbonyl)amino]phenyl (3-methylphenyl)carbamate|3-[(Methoxycarbonyl)amino]phenyl N-(3-methylphenyl)carbamate|3-Methoxycarbonyl-N-(3'-methylphenyl)-carbamat|3-methoxycarbonyl-N-(3'-methylphenyl)-carbamate|3-Methoxycarbonylaminophenyl 3'-methylcarbanilate|3-Methoxycarbonylaminophenyl N-3'-methylphenylcarbamate|3-Methoxycarbonylaminophenyl-N-(3'-methylphenyl) carbamate|Betanal|BRN 2395027|Carbamic acid, (3-methylphenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester|Carbamic acid, N-(3-methylphenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester|Caswell No. 648B|EINECS 237-199-0|EPA Pesticide Chemical Code 098701|Fenmedifam|Kemifam|Kemifam FL|Kontakt FCS|m-Hydroxycarbanilic acid methyl ester m-methylcarbanilate|Methyl 3-(3-methy|35067-67-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024255 https://doi.org/10.22427/NTP-DATA-DTXSID1024255
ARPathway2016 ARPathway2016_808 Phenmedipham 13684-63-4 DTXSID1024255 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)NC1=CC(OC(=O)NC2=CC=CC(C)=C2)=CC=C1 Phenmedipham 13684-63-4|Phenmedipham|3-((Methoxycarbonyl)amino)phenyl (3-methylphenyl)carbamate|3-((Methoxycarbonyl)amino)phenyl N-(3-methylphenyl)carbamate|3-(Carbomethoxyamino)phenyl 3-methylcarbanilate|3-(methoxyformamido)phenyl (3-methylphenyl)carbamate|3-(Methylphenyl)carbamic acid 3-((methoxycarbonyl)amino)phenyl ester|3-[(methoxycarbonyl)amino]phenyl (3-methylphenyl)carbamate|3-[(Methoxycarbonyl)amino]phenyl N-(3-methylphenyl)carbamate|3-Methoxycarbonyl-N-(3'-methylphenyl)-carbamat|3-methoxycarbonyl-N-(3'-methylphenyl)-carbamate|3-Methoxycarbonylaminophenyl 3'-methylcarbanilate|3-Methoxycarbonylaminophenyl N-3'-methylphenylcarbamate|3-Methoxycarbonylaminophenyl-N-(3'-methylphenyl) carbamate|Betanal|BRN 2395027|Carbamic acid, (3-methylphenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester|Carbamic acid, N-(3-methylphenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester|Caswell No. 648B|EINECS 237-199-0|EPA Pesticide Chemical Code 098701|Fenmedifam|Kemifam|Kemifam FL|Kontakt FCS|m-Hydroxycarbanilic acid methyl ester m-methylcarbanilate|Methyl 3-(3-methy|35067-67-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024255 https://doi.org/10.22427/NTP-DATA-DTXSID1024255
ARPathway2016 ARPathway2016_808 Phenmedipham 13684-63-4 DTXSID1024255 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)NC1=CC(OC(=O)NC2=CC=CC(C)=C2)=CC=C1 Phenmedipham 13684-63-4|Phenmedipham|3-((Methoxycarbonyl)amino)phenyl (3-methylphenyl)carbamate|3-((Methoxycarbonyl)amino)phenyl N-(3-methylphenyl)carbamate|3-(Carbomethoxyamino)phenyl 3-methylcarbanilate|3-(methoxyformamido)phenyl (3-methylphenyl)carbamate|3-(Methylphenyl)carbamic acid 3-((methoxycarbonyl)amino)phenyl ester|3-[(methoxycarbonyl)amino]phenyl (3-methylphenyl)carbamate|3-[(Methoxycarbonyl)amino]phenyl N-(3-methylphenyl)carbamate|3-Methoxycarbonyl-N-(3'-methylphenyl)-carbamat|3-methoxycarbonyl-N-(3'-methylphenyl)-carbamate|3-Methoxycarbonylaminophenyl 3'-methylcarbanilate|3-Methoxycarbonylaminophenyl N-3'-methylphenylcarbamate|3-Methoxycarbonylaminophenyl-N-(3'-methylphenyl) carbamate|Betanal|BRN 2395027|Carbamic acid, (3-methylphenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester|Carbamic acid, N-(3-methylphenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester|Caswell No. 648B|EINECS 237-199-0|EPA Pesticide Chemical Code 098701|Fenmedifam|Kemifam|Kemifam FL|Kontakt FCS|m-Hydroxycarbanilic acid methyl ester m-methylcarbanilate|Methyl 3-(3-methy|35067-67-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024255 https://doi.org/10.22427/NTP-DATA-DTXSID1024255
ERPathway2016 ERPathway2016_743 Phenmedipham 13684-63-4 DTXSID1024255 A15 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)NC1=CC(OC(=O)NC2=CC=CC(C)=C2)=CC=C1 Phenmedipham 13684-63-4|Phenmedipham|3-((Methoxycarbonyl)amino)phenyl (3-methylphenyl)carbamate|3-((Methoxycarbonyl)amino)phenyl N-(3-methylphenyl)carbamate|3-(Carbomethoxyamino)phenyl 3-methylcarbanilate|3-(methoxyformamido)phenyl (3-methylphenyl)carbamate|3-(Methylphenyl)carbamic acid 3-((methoxycarbonyl)amino)phenyl ester|3-[(methoxycarbonyl)amino]phenyl (3-methylphenyl)carbamate|3-[(Methoxycarbonyl)amino]phenyl N-(3-methylphenyl)carbamate|3-Methoxycarbonyl-N-(3'-methylphenyl)-carbamat|3-methoxycarbonyl-N-(3'-methylphenyl)-carbamate|3-Methoxycarbonylaminophenyl 3'-methylcarbanilate|3-Methoxycarbonylaminophenyl N-3'-methylphenylcarbamate|3-Methoxycarbonylaminophenyl-N-(3'-methylphenyl) carbamate|Betanal|BRN 2395027|Carbamic acid, (3-methylphenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester|Carbamic acid, N-(3-methylphenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester|Caswell No. 648B|EINECS 237-199-0|EPA Pesticide Chemical Code 098701|Fenmedifam|Kemifam|Kemifam FL|Kontakt FCS|m-Hydroxycarbanilic acid methyl ester m-methylcarbanilate|Methyl 3-(3-methy|35067-67-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024255 https://doi.org/10.22427/NTP-DATA-DTXSID1024255
ERPathway2016 ERPathway2016_743 Phenmedipham 13684-63-4 DTXSID1024255 A15 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)NC1=CC(OC(=O)NC2=CC=CC(C)=C2)=CC=C1 Phenmedipham 13684-63-4|Phenmedipham|3-((Methoxycarbonyl)amino)phenyl (3-methylphenyl)carbamate|3-((Methoxycarbonyl)amino)phenyl N-(3-methylphenyl)carbamate|3-(Carbomethoxyamino)phenyl 3-methylcarbanilate|3-(methoxyformamido)phenyl (3-methylphenyl)carbamate|3-(Methylphenyl)carbamic acid 3-((methoxycarbonyl)amino)phenyl ester|3-[(methoxycarbonyl)amino]phenyl (3-methylphenyl)carbamate|3-[(Methoxycarbonyl)amino]phenyl N-(3-methylphenyl)carbamate|3-Methoxycarbonyl-N-(3'-methylphenyl)-carbamat|3-methoxycarbonyl-N-(3'-methylphenyl)-carbamate|3-Methoxycarbonylaminophenyl 3'-methylcarbanilate|3-Methoxycarbonylaminophenyl N-3'-methylphenylcarbamate|3-Methoxycarbonylaminophenyl-N-(3'-methylphenyl) carbamate|Betanal|BRN 2395027|Carbamic acid, (3-methylphenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester|Carbamic acid, N-(3-methylphenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester|Caswell No. 648B|EINECS 237-199-0|EPA Pesticide Chemical Code 098701|Fenmedifam|Kemifam|Kemifam FL|Kontakt FCS|m-Hydroxycarbanilic acid methyl ester m-methylcarbanilate|Methyl 3-(3-methy|35067-67-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024255 https://doi.org/10.22427/NTP-DATA-DTXSID1024255
ERPathway2016 ERPathway2016_743 Phenmedipham 13684-63-4 DTXSID1024255 A15 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)NC1=CC(OC(=O)NC2=CC=CC(C)=C2)=CC=C1 Phenmedipham 13684-63-4|Phenmedipham|3-((Methoxycarbonyl)amino)phenyl (3-methylphenyl)carbamate|3-((Methoxycarbonyl)amino)phenyl N-(3-methylphenyl)carbamate|3-(Carbomethoxyamino)phenyl 3-methylcarbanilate|3-(methoxyformamido)phenyl (3-methylphenyl)carbamate|3-(Methylphenyl)carbamic acid 3-((methoxycarbonyl)amino)phenyl ester|3-[(methoxycarbonyl)amino]phenyl (3-methylphenyl)carbamate|3-[(Methoxycarbonyl)amino]phenyl N-(3-methylphenyl)carbamate|3-Methoxycarbonyl-N-(3'-methylphenyl)-carbamat|3-methoxycarbonyl-N-(3'-methylphenyl)-carbamate|3-Methoxycarbonylaminophenyl 3'-methylcarbanilate|3-Methoxycarbonylaminophenyl N-3'-methylphenylcarbamate|3-Methoxycarbonylaminophenyl-N-(3'-methylphenyl) carbamate|Betanal|BRN 2395027|Carbamic acid, (3-methylphenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester|Carbamic acid, N-(3-methylphenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester|Caswell No. 648B|EINECS 237-199-0|EPA Pesticide Chemical Code 098701|Fenmedifam|Kemifam|Kemifam FL|Kontakt FCS|m-Hydroxycarbanilic acid methyl ester m-methylcarbanilate|Methyl 3-(3-methy|35067-67-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024255 https://doi.org/10.22427/NTP-DATA-DTXSID1024255
ERPathway2016 ERPathway2016_743 Phenmedipham 13684-63-4 DTXSID1024255 A15 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)NC1=CC(OC(=O)NC2=CC=CC(C)=C2)=CC=C1 Phenmedipham 13684-63-4|Phenmedipham|3-((Methoxycarbonyl)amino)phenyl (3-methylphenyl)carbamate|3-((Methoxycarbonyl)amino)phenyl N-(3-methylphenyl)carbamate|3-(Carbomethoxyamino)phenyl 3-methylcarbanilate|3-(methoxyformamido)phenyl (3-methylphenyl)carbamate|3-(Methylphenyl)carbamic acid 3-((methoxycarbonyl)amino)phenyl ester|3-[(methoxycarbonyl)amino]phenyl (3-methylphenyl)carbamate|3-[(Methoxycarbonyl)amino]phenyl N-(3-methylphenyl)carbamate|3-Methoxycarbonyl-N-(3'-methylphenyl)-carbamat|3-methoxycarbonyl-N-(3'-methylphenyl)-carbamate|3-Methoxycarbonylaminophenyl 3'-methylcarbanilate|3-Methoxycarbonylaminophenyl N-3'-methylphenylcarbamate|3-Methoxycarbonylaminophenyl-N-(3'-methylphenyl) carbamate|Betanal|BRN 2395027|Carbamic acid, (3-methylphenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester|Carbamic acid, N-(3-methylphenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester|Caswell No. 648B|EINECS 237-199-0|EPA Pesticide Chemical Code 098701|Fenmedifam|Kemifam|Kemifam FL|Kontakt FCS|m-Hydroxycarbanilic acid methyl ester m-methylcarbanilate|Methyl 3-(3-methy|35067-67-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024255 https://doi.org/10.22427/NTP-DATA-DTXSID1024255
ARPathway2016 ARPathway2016_1343 Phenobarbital sodium 57-30-7 DTXSID0021123 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCC1(C(=O)NC([O-])=NC1=O)C1=CC=CC=C1 Phenobarbital sodium 57-30-7|Phenobarbital sodium|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, monosodium salt|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, sodium salt (1:1)|5-Ethyl-5-phenyl-2,4,6-(1H,3H,5H)pyrimidinetrione monosodium salt|5-Ethyl-5-phenylbarbituric acid sodium|5-Ethyl-5-phenylbarbituric acid sodium salt|Barbituric acid, 5-ethyl-5-phenyl-, sodium salt|EINECS 200-322-3|Fenobarbital natrium|fenobarbital sodico|Gardenal sodium|Linasen|Luminal sodium|Phenemalnatrium|Phenemalum|Phenobal|Phenobal sodium|Phenobarbital elixir|Phenobarbital Na|phenobarbital sodique|Phenobarbital sodium salt|Phenobarbital, sodium|Phenobarbitalnatrium|Phenobarbitalum natricum|Phenobarbiton-natrium|Phenobarbitone sodium|Phenobarbitone sodium salt|Phenyl-aethyl-barbitursaeure natrium|Phenylethylbarbituric acid, sodium salt|Sodium 5-ethyl-5-phenylbarbiturate|Sodium ethylphenylbarbiturate|Sodium luminal|Sodium phenobarbital|Sodium phenobarbitone|Sodium phenobarbiturate|Sodium phenylethylbarbiturate|Sodium phenylethylmalonylurea|Sol phenobarbital|Sol phenoba|125-36-0|8050-96-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021123
ARPathway2016 ARPathway2016_1343 Phenobarbital sodium 57-30-7 DTXSID0021123 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CCC1(C(=O)NC([O-])=NC1=O)C1=CC=CC=C1 Phenobarbital sodium 57-30-7|Phenobarbital sodium|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, monosodium salt|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, sodium salt (1:1)|5-Ethyl-5-phenyl-2,4,6-(1H,3H,5H)pyrimidinetrione monosodium salt|5-Ethyl-5-phenylbarbituric acid sodium|5-Ethyl-5-phenylbarbituric acid sodium salt|Barbituric acid, 5-ethyl-5-phenyl-, sodium salt|EINECS 200-322-3|Fenobarbital natrium|fenobarbital sodico|Gardenal sodium|Linasen|Luminal sodium|Phenemalnatrium|Phenemalum|Phenobal|Phenobal sodium|Phenobarbital elixir|Phenobarbital Na|phenobarbital sodique|Phenobarbital sodium salt|Phenobarbital, sodium|Phenobarbitalnatrium|Phenobarbitalum natricum|Phenobarbiton-natrium|Phenobarbitone sodium|Phenobarbitone sodium salt|Phenyl-aethyl-barbitursaeure natrium|Phenylethylbarbituric acid, sodium salt|Sodium 5-ethyl-5-phenylbarbiturate|Sodium ethylphenylbarbiturate|Sodium luminal|Sodium phenobarbital|Sodium phenobarbitone|Sodium phenobarbiturate|Sodium phenylethylbarbiturate|Sodium phenylethylmalonylurea|Sol phenobarbital|Sol phenoba|125-36-0|8050-96-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021123
ARPathway2016 ARPathway2016_1343 Phenobarbital sodium 57-30-7 DTXSID0021123 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CCC1(C(=O)NC([O-])=NC1=O)C1=CC=CC=C1 Phenobarbital sodium 57-30-7|Phenobarbital sodium|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, monosodium salt|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, sodium salt (1:1)|5-Ethyl-5-phenyl-2,4,6-(1H,3H,5H)pyrimidinetrione monosodium salt|5-Ethyl-5-phenylbarbituric acid sodium|5-Ethyl-5-phenylbarbituric acid sodium salt|Barbituric acid, 5-ethyl-5-phenyl-, sodium salt|EINECS 200-322-3|Fenobarbital natrium|fenobarbital sodico|Gardenal sodium|Linasen|Luminal sodium|Phenemalnatrium|Phenemalum|Phenobal|Phenobal sodium|Phenobarbital elixir|Phenobarbital Na|phenobarbital sodique|Phenobarbital sodium salt|Phenobarbital, sodium|Phenobarbitalnatrium|Phenobarbitalum natricum|Phenobarbiton-natrium|Phenobarbitone sodium|Phenobarbitone sodium salt|Phenyl-aethyl-barbitursaeure natrium|Phenylethylbarbituric acid, sodium salt|Sodium 5-ethyl-5-phenylbarbiturate|Sodium ethylphenylbarbiturate|Sodium luminal|Sodium phenobarbital|Sodium phenobarbitone|Sodium phenobarbiturate|Sodium phenylethylbarbiturate|Sodium phenylethylmalonylurea|Sol phenobarbital|Sol phenoba|125-36-0|8050-96-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021123
ARPathway2016 ARPathway2016_1343 Phenobarbital sodium 57-30-7 DTXSID0021123 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CCC1(C(=O)NC([O-])=NC1=O)C1=CC=CC=C1 Phenobarbital sodium 57-30-7|Phenobarbital sodium|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, monosodium salt|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, sodium salt (1:1)|5-Ethyl-5-phenyl-2,4,6-(1H,3H,5H)pyrimidinetrione monosodium salt|5-Ethyl-5-phenylbarbituric acid sodium|5-Ethyl-5-phenylbarbituric acid sodium salt|Barbituric acid, 5-ethyl-5-phenyl-, sodium salt|EINECS 200-322-3|Fenobarbital natrium|fenobarbital sodico|Gardenal sodium|Linasen|Luminal sodium|Phenemalnatrium|Phenemalum|Phenobal|Phenobal sodium|Phenobarbital elixir|Phenobarbital Na|phenobarbital sodique|Phenobarbital sodium salt|Phenobarbital, sodium|Phenobarbitalnatrium|Phenobarbitalum natricum|Phenobarbiton-natrium|Phenobarbitone sodium|Phenobarbitone sodium salt|Phenyl-aethyl-barbitursaeure natrium|Phenylethylbarbituric acid, sodium salt|Sodium 5-ethyl-5-phenylbarbiturate|Sodium ethylphenylbarbiturate|Sodium luminal|Sodium phenobarbital|Sodium phenobarbitone|Sodium phenobarbiturate|Sodium phenylethylbarbiturate|Sodium phenylethylmalonylurea|Sol phenobarbital|Sol phenoba|125-36-0|8050-96-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021123
ERPathway2016 ERPathway2016_1548 Phenobarbital sodium 57-30-7 DTXSID0021123 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CCC1(C(=O)NC([O-])=NC1=O)C1=CC=CC=C1 Phenobarbital sodium 57-30-7|Phenobarbital sodium|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, monosodium salt|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, sodium salt (1:1)|5-Ethyl-5-phenyl-2,4,6-(1H,3H,5H)pyrimidinetrione monosodium salt|5-Ethyl-5-phenylbarbituric acid sodium|5-Ethyl-5-phenylbarbituric acid sodium salt|Barbituric acid, 5-ethyl-5-phenyl-, sodium salt|EINECS 200-322-3|Fenobarbital natrium|fenobarbital sodico|Gardenal sodium|Linasen|Luminal sodium|Phenemalnatrium|Phenemalum|Phenobal|Phenobal sodium|Phenobarbital elixir|Phenobarbital Na|phenobarbital sodique|Phenobarbital sodium salt|Phenobarbital, sodium|Phenobarbitalnatrium|Phenobarbitalum natricum|Phenobarbiton-natrium|Phenobarbitone sodium|Phenobarbitone sodium salt|Phenyl-aethyl-barbitursaeure natrium|Phenylethylbarbituric acid, sodium salt|Sodium 5-ethyl-5-phenylbarbiturate|Sodium ethylphenylbarbiturate|Sodium luminal|Sodium phenobarbital|Sodium phenobarbitone|Sodium phenobarbiturate|Sodium phenylethylbarbiturate|Sodium phenylethylmalonylurea|Sol phenobarbital|Sol phenoba|125-36-0|8050-96-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021123
ERPathway2016 ERPathway2016_1548 Phenobarbital sodium 57-30-7 DTXSID0021123 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCC1(C(=O)NC([O-])=NC1=O)C1=CC=CC=C1 Phenobarbital sodium 57-30-7|Phenobarbital sodium|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, monosodium salt|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, sodium salt (1:1)|5-Ethyl-5-phenyl-2,4,6-(1H,3H,5H)pyrimidinetrione monosodium salt|5-Ethyl-5-phenylbarbituric acid sodium|5-Ethyl-5-phenylbarbituric acid sodium salt|Barbituric acid, 5-ethyl-5-phenyl-, sodium salt|EINECS 200-322-3|Fenobarbital natrium|fenobarbital sodico|Gardenal sodium|Linasen|Luminal sodium|Phenemalnatrium|Phenemalum|Phenobal|Phenobal sodium|Phenobarbital elixir|Phenobarbital Na|phenobarbital sodique|Phenobarbital sodium salt|Phenobarbital, sodium|Phenobarbitalnatrium|Phenobarbitalum natricum|Phenobarbiton-natrium|Phenobarbitone sodium|Phenobarbitone sodium salt|Phenyl-aethyl-barbitursaeure natrium|Phenylethylbarbituric acid, sodium salt|Sodium 5-ethyl-5-phenylbarbiturate|Sodium ethylphenylbarbiturate|Sodium luminal|Sodium phenobarbital|Sodium phenobarbitone|Sodium phenobarbiturate|Sodium phenylethylbarbiturate|Sodium phenylethylmalonylurea|Sol phenobarbital|Sol phenoba|125-36-0|8050-96-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021123
ERPathway2016 ERPathway2016_1548 Phenobarbital sodium 57-30-7 DTXSID0021123 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CCC1(C(=O)NC([O-])=NC1=O)C1=CC=CC=C1 Phenobarbital sodium 57-30-7|Phenobarbital sodium|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, monosodium salt|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, sodium salt (1:1)|5-Ethyl-5-phenyl-2,4,6-(1H,3H,5H)pyrimidinetrione monosodium salt|5-Ethyl-5-phenylbarbituric acid sodium|5-Ethyl-5-phenylbarbituric acid sodium salt|Barbituric acid, 5-ethyl-5-phenyl-, sodium salt|EINECS 200-322-3|Fenobarbital natrium|fenobarbital sodico|Gardenal sodium|Linasen|Luminal sodium|Phenemalnatrium|Phenemalum|Phenobal|Phenobal sodium|Phenobarbital elixir|Phenobarbital Na|phenobarbital sodique|Phenobarbital sodium salt|Phenobarbital, sodium|Phenobarbitalnatrium|Phenobarbitalum natricum|Phenobarbiton-natrium|Phenobarbitone sodium|Phenobarbitone sodium salt|Phenyl-aethyl-barbitursaeure natrium|Phenylethylbarbituric acid, sodium salt|Sodium 5-ethyl-5-phenylbarbiturate|Sodium ethylphenylbarbiturate|Sodium luminal|Sodium phenobarbital|Sodium phenobarbitone|Sodium phenobarbiturate|Sodium phenylethylbarbiturate|Sodium phenylethylmalonylurea|Sol phenobarbital|Sol phenoba|125-36-0|8050-96-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021123
ERPathway2016 ERPathway2016_1548 Phenobarbital sodium 57-30-7 DTXSID0021123 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CCC1(C(=O)NC([O-])=NC1=O)C1=CC=CC=C1 Phenobarbital sodium 57-30-7|Phenobarbital sodium|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, monosodium salt|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, sodium salt (1:1)|5-Ethyl-5-phenyl-2,4,6-(1H,3H,5H)pyrimidinetrione monosodium salt|5-Ethyl-5-phenylbarbituric acid sodium|5-Ethyl-5-phenylbarbituric acid sodium salt|Barbituric acid, 5-ethyl-5-phenyl-, sodium salt|EINECS 200-322-3|Fenobarbital natrium|fenobarbital sodico|Gardenal sodium|Linasen|Luminal sodium|Phenemalnatrium|Phenemalum|Phenobal|Phenobal sodium|Phenobarbital elixir|Phenobarbital Na|phenobarbital sodique|Phenobarbital sodium salt|Phenobarbital, sodium|Phenobarbitalnatrium|Phenobarbitalum natricum|Phenobarbiton-natrium|Phenobarbitone sodium|Phenobarbitone sodium salt|Phenyl-aethyl-barbitursaeure natrium|Phenylethylbarbituric acid, sodium salt|Sodium 5-ethyl-5-phenylbarbiturate|Sodium ethylphenylbarbiturate|Sodium luminal|Sodium phenobarbital|Sodium phenobarbitone|Sodium phenobarbiturate|Sodium phenylethylbarbiturate|Sodium phenylethylmalonylurea|Sol phenobarbital|Sol phenoba|125-36-0|8050-96-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021123
ARPathway2016 ARPathway2016_523 Phenol 108-95-2 DTXSID5021124 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=CC=C1 Phenol 108-95-2|Phenol|acide carbolique|acide phenique|Baker's P & S liquid & Ointment|Baker's P and S Liquid and Ointment|Benzenol|Benzophenol|Campho-phenique cold sore gel|Campho-phenique gel|Campho-phenique liquid|CARBOLIC ACID|Carbolic acid liquid|Carbolic oil|Carbolicum acidum|Carbolsaeure|Carbolsaure|Caswell No. 649|Cepastat lozenges|Cuticura pain relieving ointment|EINECS 203-632-7|EPA Pesticide Chemical Code 064001|FEMA No. 3223|Fenol|fenol, puro|Fenolo|Fenosmolin|Fenosmoline|Hydroxy Benzene|Hydroxy-benzene|Hydroxybenzene|IPH|IZAL|Karbolsaeure|Monohydroxy benzene|Monohydroxybenzene|Monophenol|NCI-C50124|NSC 36808|Oxy Benzene|Oxybenzene|Paoscle|Phenic|Phenic Acid|Phenic alcohol|Phenol alcohol|Phenol, liquefied|Phenolated water|Phenole|Phenosmolin|Phenyl alcohol|Phenyl hydrate|Phenyl Hydroxide|Phenylic Acid|Phenylic alcohol|PhOH|RCRA waste number U188|Synthetic phenol|UN 1671|UN 2312|UN 2821|UNII-339NCG44TV|14534-23-7|50356-25-7|8002-07-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021124
ARPathway2016 ARPathway2016_523 Phenol 108-95-2 DTXSID5021124 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=CC=C1 Phenol 108-95-2|Phenol|acide carbolique|acide phenique|Baker's P & S liquid & Ointment|Baker's P and S Liquid and Ointment|Benzenol|Benzophenol|Campho-phenique cold sore gel|Campho-phenique gel|Campho-phenique liquid|CARBOLIC ACID|Carbolic acid liquid|Carbolic oil|Carbolicum acidum|Carbolsaeure|Carbolsaure|Caswell No. 649|Cepastat lozenges|Cuticura pain relieving ointment|EINECS 203-632-7|EPA Pesticide Chemical Code 064001|FEMA No. 3223|Fenol|fenol, puro|Fenolo|Fenosmolin|Fenosmoline|Hydroxy Benzene|Hydroxy-benzene|Hydroxybenzene|IPH|IZAL|Karbolsaeure|Monohydroxy benzene|Monohydroxybenzene|Monophenol|NCI-C50124|NSC 36808|Oxy Benzene|Oxybenzene|Paoscle|Phenic|Phenic Acid|Phenic alcohol|Phenol alcohol|Phenol, liquefied|Phenolated water|Phenole|Phenosmolin|Phenyl alcohol|Phenyl hydrate|Phenyl Hydroxide|Phenylic Acid|Phenylic alcohol|PhOH|RCRA waste number U188|Synthetic phenol|UN 1671|UN 2312|UN 2821|UNII-339NCG44TV|14534-23-7|50356-25-7|8002-07-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021124
ARPathway2016 ARPathway2016_523 Phenol 108-95-2 DTXSID5021124 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC=CC=C1 Phenol 108-95-2|Phenol|acide carbolique|acide phenique|Baker's P & S liquid & Ointment|Baker's P and S Liquid and Ointment|Benzenol|Benzophenol|Campho-phenique cold sore gel|Campho-phenique gel|Campho-phenique liquid|CARBOLIC ACID|Carbolic acid liquid|Carbolic oil|Carbolicum acidum|Carbolsaeure|Carbolsaure|Caswell No. 649|Cepastat lozenges|Cuticura pain relieving ointment|EINECS 203-632-7|EPA Pesticide Chemical Code 064001|FEMA No. 3223|Fenol|fenol, puro|Fenolo|Fenosmolin|Fenosmoline|Hydroxy Benzene|Hydroxy-benzene|Hydroxybenzene|IPH|IZAL|Karbolsaeure|Monohydroxy benzene|Monohydroxybenzene|Monophenol|NCI-C50124|NSC 36808|Oxy Benzene|Oxybenzene|Paoscle|Phenic|Phenic Acid|Phenic alcohol|Phenol alcohol|Phenol, liquefied|Phenolated water|Phenole|Phenosmolin|Phenyl alcohol|Phenyl hydrate|Phenyl Hydroxide|Phenylic Acid|Phenylic alcohol|PhOH|RCRA waste number U188|Synthetic phenol|UN 1671|UN 2312|UN 2821|UNII-339NCG44TV|14534-23-7|50356-25-7|8002-07-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021124
ARPathway2016 ARPathway2016_523 Phenol 108-95-2 DTXSID5021124 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=CC=C1 Phenol 108-95-2|Phenol|acide carbolique|acide phenique|Baker's P & S liquid & Ointment|Baker's P and S Liquid and Ointment|Benzenol|Benzophenol|Campho-phenique cold sore gel|Campho-phenique gel|Campho-phenique liquid|CARBOLIC ACID|Carbolic acid liquid|Carbolic oil|Carbolicum acidum|Carbolsaeure|Carbolsaure|Caswell No. 649|Cepastat lozenges|Cuticura pain relieving ointment|EINECS 203-632-7|EPA Pesticide Chemical Code 064001|FEMA No. 3223|Fenol|fenol, puro|Fenolo|Fenosmolin|Fenosmoline|Hydroxy Benzene|Hydroxy-benzene|Hydroxybenzene|IPH|IZAL|Karbolsaeure|Monohydroxy benzene|Monohydroxybenzene|Monophenol|NCI-C50124|NSC 36808|Oxy Benzene|Oxybenzene|Paoscle|Phenic|Phenic Acid|Phenic alcohol|Phenol alcohol|Phenol, liquefied|Phenolated water|Phenole|Phenosmolin|Phenyl alcohol|Phenyl hydrate|Phenyl Hydroxide|Phenylic Acid|Phenylic alcohol|PhOH|RCRA waste number U188|Synthetic phenol|UN 1671|UN 2312|UN 2821|UNII-339NCG44TV|14534-23-7|50356-25-7|8002-07-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021124
ERPathway2016 ERPathway2016_1121 Phenol 108-95-2 DTXSID5021124 ER Pathway Model, Agonist Model Score 0 Unitless OC1=CC=CC=C1 Phenol 108-95-2|Phenol|acide carbolique|acide phenique|Baker's P & S liquid & Ointment|Baker's P and S Liquid and Ointment|Benzenol|Benzophenol|Campho-phenique cold sore gel|Campho-phenique gel|Campho-phenique liquid|CARBOLIC ACID|Carbolic acid liquid|Carbolic oil|Carbolicum acidum|Carbolsaeure|Carbolsaure|Caswell No. 649|Cepastat lozenges|Cuticura pain relieving ointment|EINECS 203-632-7|EPA Pesticide Chemical Code 064001|FEMA No. 3223|Fenol|fenol, puro|Fenolo|Fenosmolin|Fenosmoline|Hydroxy Benzene|Hydroxy-benzene|Hydroxybenzene|IPH|IZAL|Karbolsaeure|Monohydroxy benzene|Monohydroxybenzene|Monophenol|NCI-C50124|NSC 36808|Oxy Benzene|Oxybenzene|Paoscle|Phenic|Phenic Acid|Phenic alcohol|Phenol alcohol|Phenol, liquefied|Phenolated water|Phenole|Phenosmolin|Phenyl alcohol|Phenyl hydrate|Phenyl Hydroxide|Phenylic Acid|Phenylic alcohol|PhOH|RCRA waste number U188|Synthetic phenol|UN 1671|UN 2312|UN 2821|UNII-339NCG44TV|14534-23-7|50356-25-7|8002-07-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021124
ERPathway2016 ERPathway2016_1121 Phenol 108-95-2 DTXSID5021124 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=CC=C1 Phenol 108-95-2|Phenol|acide carbolique|acide phenique|Baker's P & S liquid & Ointment|Baker's P and S Liquid and Ointment|Benzenol|Benzophenol|Campho-phenique cold sore gel|Campho-phenique gel|Campho-phenique liquid|CARBOLIC ACID|Carbolic acid liquid|Carbolic oil|Carbolicum acidum|Carbolsaeure|Carbolsaure|Caswell No. 649|Cepastat lozenges|Cuticura pain relieving ointment|EINECS 203-632-7|EPA Pesticide Chemical Code 064001|FEMA No. 3223|Fenol|fenol, puro|Fenolo|Fenosmolin|Fenosmoline|Hydroxy Benzene|Hydroxy-benzene|Hydroxybenzene|IPH|IZAL|Karbolsaeure|Monohydroxy benzene|Monohydroxybenzene|Monophenol|NCI-C50124|NSC 36808|Oxy Benzene|Oxybenzene|Paoscle|Phenic|Phenic Acid|Phenic alcohol|Phenol alcohol|Phenol, liquefied|Phenolated water|Phenole|Phenosmolin|Phenyl alcohol|Phenyl hydrate|Phenyl Hydroxide|Phenylic Acid|Phenylic alcohol|PhOH|RCRA waste number U188|Synthetic phenol|UN 1671|UN 2312|UN 2821|UNII-339NCG44TV|14534-23-7|50356-25-7|8002-07-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021124
ERPathway2016 ERPathway2016_1121 Phenol 108-95-2 DTXSID5021124 ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=CC=C1 Phenol 108-95-2|Phenol|acide carbolique|acide phenique|Baker's P & S liquid & Ointment|Baker's P and S Liquid and Ointment|Benzenol|Benzophenol|Campho-phenique cold sore gel|Campho-phenique gel|Campho-phenique liquid|CARBOLIC ACID|Carbolic acid liquid|Carbolic oil|Carbolicum acidum|Carbolsaeure|Carbolsaure|Caswell No. 649|Cepastat lozenges|Cuticura pain relieving ointment|EINECS 203-632-7|EPA Pesticide Chemical Code 064001|FEMA No. 3223|Fenol|fenol, puro|Fenolo|Fenosmolin|Fenosmoline|Hydroxy Benzene|Hydroxy-benzene|Hydroxybenzene|IPH|IZAL|Karbolsaeure|Monohydroxy benzene|Monohydroxybenzene|Monophenol|NCI-C50124|NSC 36808|Oxy Benzene|Oxybenzene|Paoscle|Phenic|Phenic Acid|Phenic alcohol|Phenol alcohol|Phenol, liquefied|Phenolated water|Phenole|Phenosmolin|Phenyl alcohol|Phenyl hydrate|Phenyl Hydroxide|Phenylic Acid|Phenylic alcohol|PhOH|RCRA waste number U188|Synthetic phenol|UN 1671|UN 2312|UN 2821|UNII-339NCG44TV|14534-23-7|50356-25-7|8002-07-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021124
ERPathway2016 ERPathway2016_1121 Phenol 108-95-2 DTXSID5021124 ER Pathway Model, Antagonist Call Inactive Unitless OC1=CC=CC=C1 Phenol 108-95-2|Phenol|acide carbolique|acide phenique|Baker's P & S liquid & Ointment|Baker's P and S Liquid and Ointment|Benzenol|Benzophenol|Campho-phenique cold sore gel|Campho-phenique gel|Campho-phenique liquid|CARBOLIC ACID|Carbolic acid liquid|Carbolic oil|Carbolicum acidum|Carbolsaeure|Carbolsaure|Caswell No. 649|Cepastat lozenges|Cuticura pain relieving ointment|EINECS 203-632-7|EPA Pesticide Chemical Code 064001|FEMA No. 3223|Fenol|fenol, puro|Fenolo|Fenosmolin|Fenosmoline|Hydroxy Benzene|Hydroxy-benzene|Hydroxybenzene|IPH|IZAL|Karbolsaeure|Monohydroxy benzene|Monohydroxybenzene|Monophenol|NCI-C50124|NSC 36808|Oxy Benzene|Oxybenzene|Paoscle|Phenic|Phenic Acid|Phenic alcohol|Phenol alcohol|Phenol, liquefied|Phenolated water|Phenole|Phenosmolin|Phenyl alcohol|Phenyl hydrate|Phenyl Hydroxide|Phenylic Acid|Phenylic alcohol|PhOH|RCRA waste number U188|Synthetic phenol|UN 1671|UN 2312|UN 2821|UNII-339NCG44TV|14534-23-7|50356-25-7|8002-07-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021124
ARPathway2016 ARPathway2016_856 Phenol red 143-74-8 DTXSID8022408 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenol red 143-74-8|Phenol red|3,3-Bis(p-hydroxyphenyl)-2,1-3H-benzoxathiole 1,1-dioxide|3,3-bis(p-hydroxyphenyl)-3H-2,1-benzoxathiole 1,1-dioxide|3H-2,1-Benzoxathiole, 3,3-bis(4-hydroxyphenyl)-, 1,1-dioxide|4,4'-(3H-2,1-benzoxathiol-3-ylidene)bisphenol S,S-dioxide|5-19-03-00457|alpha-hydroxy-alpha,alpha-bis(p-hydroxyphenyl)-o-toluenesulfonic acid gamma-sultone|BRN 0326470|EINECS 205-609-7|Fenolipuna|NSC 10459|Phenol, 4,4-(3H-2,1-benzoxathiol-3-ylidene)di-, S-S-dioxide|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide|Phenolrot|PHENOLSULFONAPHTHALEIN|Phenolsulfonephthalein|Phenolsulfonphthalein|Phenolsulphonphthalein|PSP|rojo de fenol|Rouge de phenol|Sulfonphthal|Sulphental|Sulphonthal|UNII-I6G9Y0J1OJ|a-Hydroxy-a,a-bis(p-hydroxyphenyl)-o-toluenesulfonic acid g-sultone|2877-88-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022408
ARPathway2016 ARPathway2016_856 Phenol red 143-74-8 DTXSID8022408 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenol red 143-74-8|Phenol red|3,3-Bis(p-hydroxyphenyl)-2,1-3H-benzoxathiole 1,1-dioxide|3,3-bis(p-hydroxyphenyl)-3H-2,1-benzoxathiole 1,1-dioxide|3H-2,1-Benzoxathiole, 3,3-bis(4-hydroxyphenyl)-, 1,1-dioxide|4,4'-(3H-2,1-benzoxathiol-3-ylidene)bisphenol S,S-dioxide|5-19-03-00457|alpha-hydroxy-alpha,alpha-bis(p-hydroxyphenyl)-o-toluenesulfonic acid gamma-sultone|BRN 0326470|EINECS 205-609-7|Fenolipuna|NSC 10459|Phenol, 4,4-(3H-2,1-benzoxathiol-3-ylidene)di-, S-S-dioxide|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide|Phenolrot|PHENOLSULFONAPHTHALEIN|Phenolsulfonephthalein|Phenolsulfonphthalein|Phenolsulphonphthalein|PSP|rojo de fenol|Rouge de phenol|Sulfonphthal|Sulphental|Sulphonthal|UNII-I6G9Y0J1OJ|a-Hydroxy-a,a-bis(p-hydroxyphenyl)-o-toluenesulfonic acid g-sultone|2877-88-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022408
ARPathway2016 ARPathway2016_856 Phenol red 143-74-8 DTXSID8022408 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenol red 143-74-8|Phenol red|3,3-Bis(p-hydroxyphenyl)-2,1-3H-benzoxathiole 1,1-dioxide|3,3-bis(p-hydroxyphenyl)-3H-2,1-benzoxathiole 1,1-dioxide|3H-2,1-Benzoxathiole, 3,3-bis(4-hydroxyphenyl)-, 1,1-dioxide|4,4'-(3H-2,1-benzoxathiol-3-ylidene)bisphenol S,S-dioxide|5-19-03-00457|alpha-hydroxy-alpha,alpha-bis(p-hydroxyphenyl)-o-toluenesulfonic acid gamma-sultone|BRN 0326470|EINECS 205-609-7|Fenolipuna|NSC 10459|Phenol, 4,4-(3H-2,1-benzoxathiol-3-ylidene)di-, S-S-dioxide|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide|Phenolrot|PHENOLSULFONAPHTHALEIN|Phenolsulfonephthalein|Phenolsulfonphthalein|Phenolsulphonphthalein|PSP|rojo de fenol|Rouge de phenol|Sulfonphthal|Sulphental|Sulphonthal|UNII-I6G9Y0J1OJ|a-Hydroxy-a,a-bis(p-hydroxyphenyl)-o-toluenesulfonic acid g-sultone|2877-88-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022408
ARPathway2016 ARPathway2016_856 Phenol red 143-74-8 DTXSID8022408 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenol red 143-74-8|Phenol red|3,3-Bis(p-hydroxyphenyl)-2,1-3H-benzoxathiole 1,1-dioxide|3,3-bis(p-hydroxyphenyl)-3H-2,1-benzoxathiole 1,1-dioxide|3H-2,1-Benzoxathiole, 3,3-bis(4-hydroxyphenyl)-, 1,1-dioxide|4,4'-(3H-2,1-benzoxathiol-3-ylidene)bisphenol S,S-dioxide|5-19-03-00457|alpha-hydroxy-alpha,alpha-bis(p-hydroxyphenyl)-o-toluenesulfonic acid gamma-sultone|BRN 0326470|EINECS 205-609-7|Fenolipuna|NSC 10459|Phenol, 4,4-(3H-2,1-benzoxathiol-3-ylidene)di-, S-S-dioxide|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide|Phenolrot|PHENOLSULFONAPHTHALEIN|Phenolsulfonephthalein|Phenolsulfonphthalein|Phenolsulphonphthalein|PSP|rojo de fenol|Rouge de phenol|Sulfonphthal|Sulphental|Sulphonthal|UNII-I6G9Y0J1OJ|a-Hydroxy-a,a-bis(p-hydroxyphenyl)-o-toluenesulfonic acid g-sultone|2877-88-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022408
ERPathway2016 ERPathway2016_289 Phenol red 143-74-8 DTXSID8022408 ER Pathway Model, Antagonist AC50 19.3720637514397 uM OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenol red 143-74-8|Phenol red|3,3-Bis(p-hydroxyphenyl)-2,1-3H-benzoxathiole 1,1-dioxide|3,3-bis(p-hydroxyphenyl)-3H-2,1-benzoxathiole 1,1-dioxide|3H-2,1-Benzoxathiole, 3,3-bis(4-hydroxyphenyl)-, 1,1-dioxide|4,4'-(3H-2,1-benzoxathiol-3-ylidene)bisphenol S,S-dioxide|5-19-03-00457|alpha-hydroxy-alpha,alpha-bis(p-hydroxyphenyl)-o-toluenesulfonic acid gamma-sultone|BRN 0326470|EINECS 205-609-7|Fenolipuna|NSC 10459|Phenol, 4,4-(3H-2,1-benzoxathiol-3-ylidene)di-, S-S-dioxide|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide|Phenolrot|PHENOLSULFONAPHTHALEIN|Phenolsulfonephthalein|Phenolsulfonphthalein|Phenolsulphonphthalein|PSP|rojo de fenol|Rouge de phenol|Sulfonphthal|Sulphental|Sulphonthal|UNII-I6G9Y0J1OJ|a-Hydroxy-a,a-bis(p-hydroxyphenyl)-o-toluenesulfonic acid g-sultone|2877-88-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022408
ERPathway2016 ERPathway2016_289 Phenol red 143-74-8 DTXSID8022408 ER Pathway Model, Antagonist ACC 14.3655609291347 uM OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenol red 143-74-8|Phenol red|3,3-Bis(p-hydroxyphenyl)-2,1-3H-benzoxathiole 1,1-dioxide|3,3-bis(p-hydroxyphenyl)-3H-2,1-benzoxathiole 1,1-dioxide|3H-2,1-Benzoxathiole, 3,3-bis(4-hydroxyphenyl)-, 1,1-dioxide|4,4'-(3H-2,1-benzoxathiol-3-ylidene)bisphenol S,S-dioxide|5-19-03-00457|alpha-hydroxy-alpha,alpha-bis(p-hydroxyphenyl)-o-toluenesulfonic acid gamma-sultone|BRN 0326470|EINECS 205-609-7|Fenolipuna|NSC 10459|Phenol, 4,4-(3H-2,1-benzoxathiol-3-ylidene)di-, S-S-dioxide|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide|Phenolrot|PHENOLSULFONAPHTHALEIN|Phenolsulfonephthalein|Phenolsulfonphthalein|Phenolsulphonphthalein|PSP|rojo de fenol|Rouge de phenol|Sulfonphthal|Sulphental|Sulphonthal|UNII-I6G9Y0J1OJ|a-Hydroxy-a,a-bis(p-hydroxyphenyl)-o-toluenesulfonic acid g-sultone|2877-88-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022408
ERPathway2016 ERPathway2016_289 Phenol red 143-74-8 DTXSID8022408 ER Pathway Model, Agonist Model Score 0.0409 Unitless OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenol red 143-74-8|Phenol red|3,3-Bis(p-hydroxyphenyl)-2,1-3H-benzoxathiole 1,1-dioxide|3,3-bis(p-hydroxyphenyl)-3H-2,1-benzoxathiole 1,1-dioxide|3H-2,1-Benzoxathiole, 3,3-bis(4-hydroxyphenyl)-, 1,1-dioxide|4,4'-(3H-2,1-benzoxathiol-3-ylidene)bisphenol S,S-dioxide|5-19-03-00457|alpha-hydroxy-alpha,alpha-bis(p-hydroxyphenyl)-o-toluenesulfonic acid gamma-sultone|BRN 0326470|EINECS 205-609-7|Fenolipuna|NSC 10459|Phenol, 4,4-(3H-2,1-benzoxathiol-3-ylidene)di-, S-S-dioxide|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide|Phenolrot|PHENOLSULFONAPHTHALEIN|Phenolsulfonephthalein|Phenolsulfonphthalein|Phenolsulphonphthalein|PSP|rojo de fenol|Rouge de phenol|Sulfonphthal|Sulphental|Sulphonthal|UNII-I6G9Y0J1OJ|a-Hydroxy-a,a-bis(p-hydroxyphenyl)-o-toluenesulfonic acid g-sultone|2877-88-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022408
ERPathway2016 ERPathway2016_289 Phenol red 143-74-8 DTXSID8022408 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenol red 143-74-8|Phenol red|3,3-Bis(p-hydroxyphenyl)-2,1-3H-benzoxathiole 1,1-dioxide|3,3-bis(p-hydroxyphenyl)-3H-2,1-benzoxathiole 1,1-dioxide|3H-2,1-Benzoxathiole, 3,3-bis(4-hydroxyphenyl)-, 1,1-dioxide|4,4'-(3H-2,1-benzoxathiol-3-ylidene)bisphenol S,S-dioxide|5-19-03-00457|alpha-hydroxy-alpha,alpha-bis(p-hydroxyphenyl)-o-toluenesulfonic acid gamma-sultone|BRN 0326470|EINECS 205-609-7|Fenolipuna|NSC 10459|Phenol, 4,4-(3H-2,1-benzoxathiol-3-ylidene)di-, S-S-dioxide|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide|Phenolrot|PHENOLSULFONAPHTHALEIN|Phenolsulfonephthalein|Phenolsulfonphthalein|Phenolsulphonphthalein|PSP|rojo de fenol|Rouge de phenol|Sulfonphthal|Sulphental|Sulphonthal|UNII-I6G9Y0J1OJ|a-Hydroxy-a,a-bis(p-hydroxyphenyl)-o-toluenesulfonic acid g-sultone|2877-88-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022408
ERPathway2016 ERPathway2016_289 Phenol red 143-74-8 DTXSID8022408 ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenol red 143-74-8|Phenol red|3,3-Bis(p-hydroxyphenyl)-2,1-3H-benzoxathiole 1,1-dioxide|3,3-bis(p-hydroxyphenyl)-3H-2,1-benzoxathiole 1,1-dioxide|3H-2,1-Benzoxathiole, 3,3-bis(4-hydroxyphenyl)-, 1,1-dioxide|4,4'-(3H-2,1-benzoxathiol-3-ylidene)bisphenol S,S-dioxide|5-19-03-00457|alpha-hydroxy-alpha,alpha-bis(p-hydroxyphenyl)-o-toluenesulfonic acid gamma-sultone|BRN 0326470|EINECS 205-609-7|Fenolipuna|NSC 10459|Phenol, 4,4-(3H-2,1-benzoxathiol-3-ylidene)di-, S-S-dioxide|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide|Phenolrot|PHENOLSULFONAPHTHALEIN|Phenolsulfonephthalein|Phenolsulfonphthalein|Phenolsulphonphthalein|PSP|rojo de fenol|Rouge de phenol|Sulfonphthal|Sulphental|Sulphonthal|UNII-I6G9Y0J1OJ|a-Hydroxy-a,a-bis(p-hydroxyphenyl)-o-toluenesulfonic acid g-sultone|2877-88-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022408
ERPathway2016 ERPathway2016_289 Phenol red 143-74-8 DTXSID8022408 ER Pathway Model, Antagonist Call Active Unitless OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenol red 143-74-8|Phenol red|3,3-Bis(p-hydroxyphenyl)-2,1-3H-benzoxathiole 1,1-dioxide|3,3-bis(p-hydroxyphenyl)-3H-2,1-benzoxathiole 1,1-dioxide|3H-2,1-Benzoxathiole, 3,3-bis(4-hydroxyphenyl)-, 1,1-dioxide|4,4'-(3H-2,1-benzoxathiol-3-ylidene)bisphenol S,S-dioxide|5-19-03-00457|alpha-hydroxy-alpha,alpha-bis(p-hydroxyphenyl)-o-toluenesulfonic acid gamma-sultone|BRN 0326470|EINECS 205-609-7|Fenolipuna|NSC 10459|Phenol, 4,4-(3H-2,1-benzoxathiol-3-ylidene)di-, S-S-dioxide|Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide|Phenolrot|PHENOLSULFONAPHTHALEIN|Phenolsulfonephthalein|Phenolsulfonphthalein|Phenolsulphonphthalein|PSP|rojo de fenol|Rouge de phenol|Sulfonphthal|Sulphental|Sulphonthal|UNII-I6G9Y0J1OJ|a-Hydroxy-a,a-bis(p-hydroxyphenyl)-o-toluenesulfonic acid g-sultone|2877-88-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8022408
ARPathway2016 ARPathway2016_275 Phenolphthalein 77-09-8 DTXSID0021125 2.0 Antagonist AR Pathway Model, Agonist AC50 33.6958260508959 uM OC1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenolphthalein 77-09-8|Phenolphthalein|1(3H)-ISOBENZOFURANONE, 3,3-BIS(4-HYDROXYPHENYL)|1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-|3,3-BIS (P-HYDROXY-PHENYL)-PHTHALIDE|3,3-Bis(4-hydroxyphenyl)-1-(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one|3,3-Bis(4-hydroxyphenyl)phthalide|3,3-Bis(p-hydroxyphenyl)phthalide|5-18-04-00188|alpha-(p-Hydroxyphenyl)-alpha-(4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluic acid|alpha-Di(p-hydroxyphenyl)phthalide|BRN 0284423|Correctol|Dihydroxyphthalophenone|EINECS 201-004-7|Espotabs|Euchessina|Evac-Q-Kit|Evac-Q-Kwik|Evac-U-Gen|Evac-V-Lax|Feen-A-Mint Gum|FemiLax|Fenolftalein|fenolftaleina|ISOBENZOFURAN-1(3H)-ONE, 3,3-BIS(4-HYDROXYPHENYL)-|Lax-Pills|Laxogen|Medilax|NCI-C55798|NSC 10464|NSC 215214|Phenolax|Phenolphtaleine|Phenolphthaleinum|Phenophthalein|Phthalide 3,3,-bis(p-hydroxyphenyl)-|Phthalimetten|Phthalin|Purgophen|Spulmako-lax|390417-24-0|467-29-8|546094-13-7|57214-20-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021125 https://doi.org/10.22427/NTP-DATA-DTXSID0021125
ARPathway2016 ARPathway2016_275 Phenolphthalein 77-09-8 DTXSID0021125 2.0 Antagonist AR Pathway Model, Agonist ACC 32.4294634408271 uM OC1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenolphthalein 77-09-8|Phenolphthalein|1(3H)-ISOBENZOFURANONE, 3,3-BIS(4-HYDROXYPHENYL)|1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-|3,3-BIS (P-HYDROXY-PHENYL)-PHTHALIDE|3,3-Bis(4-hydroxyphenyl)-1-(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one|3,3-Bis(4-hydroxyphenyl)phthalide|3,3-Bis(p-hydroxyphenyl)phthalide|5-18-04-00188|alpha-(p-Hydroxyphenyl)-alpha-(4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluic acid|alpha-Di(p-hydroxyphenyl)phthalide|BRN 0284423|Correctol|Dihydroxyphthalophenone|EINECS 201-004-7|Espotabs|Euchessina|Evac-Q-Kit|Evac-Q-Kwik|Evac-U-Gen|Evac-V-Lax|Feen-A-Mint Gum|FemiLax|Fenolftalein|fenolftaleina|ISOBENZOFURAN-1(3H)-ONE, 3,3-BIS(4-HYDROXYPHENYL)-|Lax-Pills|Laxogen|Medilax|NCI-C55798|NSC 10464|NSC 215214|Phenolax|Phenolphtaleine|Phenolphthaleinum|Phenophthalein|Phthalide 3,3,-bis(p-hydroxyphenyl)-|Phthalimetten|Phthalin|Purgophen|Spulmako-lax|390417-24-0|467-29-8|546094-13-7|57214-20-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021125 https://doi.org/10.22427/NTP-DATA-DTXSID0021125
ARPathway2016 ARPathway2016_275 Phenolphthalein 77-09-8 DTXSID0021125 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.174 Unitless OC1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenolphthalein 77-09-8|Phenolphthalein|1(3H)-ISOBENZOFURANONE, 3,3-BIS(4-HYDROXYPHENYL)|1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-|3,3-BIS (P-HYDROXY-PHENYL)-PHTHALIDE|3,3-Bis(4-hydroxyphenyl)-1-(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one|3,3-Bis(4-hydroxyphenyl)phthalide|3,3-Bis(p-hydroxyphenyl)phthalide|5-18-04-00188|alpha-(p-Hydroxyphenyl)-alpha-(4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluic acid|alpha-Di(p-hydroxyphenyl)phthalide|BRN 0284423|Correctol|Dihydroxyphthalophenone|EINECS 201-004-7|Espotabs|Euchessina|Evac-Q-Kit|Evac-Q-Kwik|Evac-U-Gen|Evac-V-Lax|Feen-A-Mint Gum|FemiLax|Fenolftalein|fenolftaleina|ISOBENZOFURAN-1(3H)-ONE, 3,3-BIS(4-HYDROXYPHENYL)-|Lax-Pills|Laxogen|Medilax|NCI-C55798|NSC 10464|NSC 215214|Phenolax|Phenolphtaleine|Phenolphthaleinum|Phenophthalein|Phthalide 3,3,-bis(p-hydroxyphenyl)-|Phthalimetten|Phthalin|Purgophen|Spulmako-lax|390417-24-0|467-29-8|546094-13-7|57214-20-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021125 https://doi.org/10.22427/NTP-DATA-DTXSID0021125
ARPathway2016 ARPathway2016_275 Phenolphthalein 77-09-8 DTXSID0021125 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenolphthalein 77-09-8|Phenolphthalein|1(3H)-ISOBENZOFURANONE, 3,3-BIS(4-HYDROXYPHENYL)|1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-|3,3-BIS (P-HYDROXY-PHENYL)-PHTHALIDE|3,3-Bis(4-hydroxyphenyl)-1-(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one|3,3-Bis(4-hydroxyphenyl)phthalide|3,3-Bis(p-hydroxyphenyl)phthalide|5-18-04-00188|alpha-(p-Hydroxyphenyl)-alpha-(4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluic acid|alpha-Di(p-hydroxyphenyl)phthalide|BRN 0284423|Correctol|Dihydroxyphthalophenone|EINECS 201-004-7|Espotabs|Euchessina|Evac-Q-Kit|Evac-Q-Kwik|Evac-U-Gen|Evac-V-Lax|Feen-A-Mint Gum|FemiLax|Fenolftalein|fenolftaleina|ISOBENZOFURAN-1(3H)-ONE, 3,3-BIS(4-HYDROXYPHENYL)-|Lax-Pills|Laxogen|Medilax|NCI-C55798|NSC 10464|NSC 215214|Phenolax|Phenolphtaleine|Phenolphthaleinum|Phenophthalein|Phthalide 3,3,-bis(p-hydroxyphenyl)-|Phthalimetten|Phthalin|Purgophen|Spulmako-lax|390417-24-0|467-29-8|546094-13-7|57214-20-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021125 https://doi.org/10.22427/NTP-DATA-DTXSID0021125
ARPathway2016 ARPathway2016_275 Phenolphthalein 77-09-8 DTXSID0021125 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenolphthalein 77-09-8|Phenolphthalein|1(3H)-ISOBENZOFURANONE, 3,3-BIS(4-HYDROXYPHENYL)|1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-|3,3-BIS (P-HYDROXY-PHENYL)-PHTHALIDE|3,3-Bis(4-hydroxyphenyl)-1-(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one|3,3-Bis(4-hydroxyphenyl)phthalide|3,3-Bis(p-hydroxyphenyl)phthalide|5-18-04-00188|alpha-(p-Hydroxyphenyl)-alpha-(4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluic acid|alpha-Di(p-hydroxyphenyl)phthalide|BRN 0284423|Correctol|Dihydroxyphthalophenone|EINECS 201-004-7|Espotabs|Euchessina|Evac-Q-Kit|Evac-Q-Kwik|Evac-U-Gen|Evac-V-Lax|Feen-A-Mint Gum|FemiLax|Fenolftalein|fenolftaleina|ISOBENZOFURAN-1(3H)-ONE, 3,3-BIS(4-HYDROXYPHENYL)-|Lax-Pills|Laxogen|Medilax|NCI-C55798|NSC 10464|NSC 215214|Phenolax|Phenolphtaleine|Phenolphthaleinum|Phenophthalein|Phthalide 3,3,-bis(p-hydroxyphenyl)-|Phthalimetten|Phthalin|Purgophen|Spulmako-lax|390417-24-0|467-29-8|546094-13-7|57214-20-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021125 https://doi.org/10.22427/NTP-DATA-DTXSID0021125
ARPathway2016 ARPathway2016_275 Phenolphthalein 77-09-8 DTXSID0021125 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenolphthalein 77-09-8|Phenolphthalein|1(3H)-ISOBENZOFURANONE, 3,3-BIS(4-HYDROXYPHENYL)|1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-|3,3-BIS (P-HYDROXY-PHENYL)-PHTHALIDE|3,3-Bis(4-hydroxyphenyl)-1-(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one|3,3-Bis(4-hydroxyphenyl)phthalide|3,3-Bis(p-hydroxyphenyl)phthalide|5-18-04-00188|alpha-(p-Hydroxyphenyl)-alpha-(4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluic acid|alpha-Di(p-hydroxyphenyl)phthalide|BRN 0284423|Correctol|Dihydroxyphthalophenone|EINECS 201-004-7|Espotabs|Euchessina|Evac-Q-Kit|Evac-Q-Kwik|Evac-U-Gen|Evac-V-Lax|Feen-A-Mint Gum|FemiLax|Fenolftalein|fenolftaleina|ISOBENZOFURAN-1(3H)-ONE, 3,3-BIS(4-HYDROXYPHENYL)-|Lax-Pills|Laxogen|Medilax|NCI-C55798|NSC 10464|NSC 215214|Phenolax|Phenolphtaleine|Phenolphthaleinum|Phenophthalein|Phthalide 3,3,-bis(p-hydroxyphenyl)-|Phthalimetten|Phthalin|Purgophen|Spulmako-lax|390417-24-0|467-29-8|546094-13-7|57214-20-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021125 https://doi.org/10.22427/NTP-DATA-DTXSID0021125
ERPathway2016 ERPathway2016_182 Phenolphthalein 77-09-8 DTXSID0021125 Agonist ER Pathway Model, Antagonist AC50 7.38945042561721 uM OC1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenolphthalein 77-09-8|Phenolphthalein|1(3H)-ISOBENZOFURANONE, 3,3-BIS(4-HYDROXYPHENYL)|1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-|3,3-BIS (P-HYDROXY-PHENYL)-PHTHALIDE|3,3-Bis(4-hydroxyphenyl)-1-(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one|3,3-Bis(4-hydroxyphenyl)phthalide|3,3-Bis(p-hydroxyphenyl)phthalide|5-18-04-00188|alpha-(p-Hydroxyphenyl)-alpha-(4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluic acid|alpha-Di(p-hydroxyphenyl)phthalide|BRN 0284423|Correctol|Dihydroxyphthalophenone|EINECS 201-004-7|Espotabs|Euchessina|Evac-Q-Kit|Evac-Q-Kwik|Evac-U-Gen|Evac-V-Lax|Feen-A-Mint Gum|FemiLax|Fenolftalein|fenolftaleina|ISOBENZOFURAN-1(3H)-ONE, 3,3-BIS(4-HYDROXYPHENYL)-|Lax-Pills|Laxogen|Medilax|NCI-C55798|NSC 10464|NSC 215214|Phenolax|Phenolphtaleine|Phenolphthaleinum|Phenophthalein|Phthalide 3,3,-bis(p-hydroxyphenyl)-|Phthalimetten|Phthalin|Purgophen|Spulmako-lax|390417-24-0|467-29-8|546094-13-7|57214-20-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021125 https://doi.org/10.22427/NTP-DATA-DTXSID0021125
ERPathway2016 ERPathway2016_182 Phenolphthalein 77-09-8 DTXSID0021125 Agonist ER Pathway Model, Antagonist ACC 5.07312527582202 uM OC1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenolphthalein 77-09-8|Phenolphthalein|1(3H)-ISOBENZOFURANONE, 3,3-BIS(4-HYDROXYPHENYL)|1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-|3,3-BIS (P-HYDROXY-PHENYL)-PHTHALIDE|3,3-Bis(4-hydroxyphenyl)-1-(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one|3,3-Bis(4-hydroxyphenyl)phthalide|3,3-Bis(p-hydroxyphenyl)phthalide|5-18-04-00188|alpha-(p-Hydroxyphenyl)-alpha-(4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluic acid|alpha-Di(p-hydroxyphenyl)phthalide|BRN 0284423|Correctol|Dihydroxyphthalophenone|EINECS 201-004-7|Espotabs|Euchessina|Evac-Q-Kit|Evac-Q-Kwik|Evac-U-Gen|Evac-V-Lax|Feen-A-Mint Gum|FemiLax|Fenolftalein|fenolftaleina|ISOBENZOFURAN-1(3H)-ONE, 3,3-BIS(4-HYDROXYPHENYL)-|Lax-Pills|Laxogen|Medilax|NCI-C55798|NSC 10464|NSC 215214|Phenolax|Phenolphtaleine|Phenolphthaleinum|Phenophthalein|Phthalide 3,3,-bis(p-hydroxyphenyl)-|Phthalimetten|Phthalin|Purgophen|Spulmako-lax|390417-24-0|467-29-8|546094-13-7|57214-20-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021125 https://doi.org/10.22427/NTP-DATA-DTXSID0021125
ERPathway2016 ERPathway2016_182 Phenolphthalein 77-09-8 DTXSID0021125 Agonist ER Pathway Model, Agonist Model Score 0.276 Unitless OC1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenolphthalein 77-09-8|Phenolphthalein|1(3H)-ISOBENZOFURANONE, 3,3-BIS(4-HYDROXYPHENYL)|1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-|3,3-BIS (P-HYDROXY-PHENYL)-PHTHALIDE|3,3-Bis(4-hydroxyphenyl)-1-(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one|3,3-Bis(4-hydroxyphenyl)phthalide|3,3-Bis(p-hydroxyphenyl)phthalide|5-18-04-00188|alpha-(p-Hydroxyphenyl)-alpha-(4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluic acid|alpha-Di(p-hydroxyphenyl)phthalide|BRN 0284423|Correctol|Dihydroxyphthalophenone|EINECS 201-004-7|Espotabs|Euchessina|Evac-Q-Kit|Evac-Q-Kwik|Evac-U-Gen|Evac-V-Lax|Feen-A-Mint Gum|FemiLax|Fenolftalein|fenolftaleina|ISOBENZOFURAN-1(3H)-ONE, 3,3-BIS(4-HYDROXYPHENYL)-|Lax-Pills|Laxogen|Medilax|NCI-C55798|NSC 10464|NSC 215214|Phenolax|Phenolphtaleine|Phenolphthaleinum|Phenophthalein|Phthalide 3,3,-bis(p-hydroxyphenyl)-|Phthalimetten|Phthalin|Purgophen|Spulmako-lax|390417-24-0|467-29-8|546094-13-7|57214-20-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021125 https://doi.org/10.22427/NTP-DATA-DTXSID0021125
ERPathway2016 ERPathway2016_182 Phenolphthalein 77-09-8 DTXSID0021125 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenolphthalein 77-09-8|Phenolphthalein|1(3H)-ISOBENZOFURANONE, 3,3-BIS(4-HYDROXYPHENYL)|1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-|3,3-BIS (P-HYDROXY-PHENYL)-PHTHALIDE|3,3-Bis(4-hydroxyphenyl)-1-(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one|3,3-Bis(4-hydroxyphenyl)phthalide|3,3-Bis(p-hydroxyphenyl)phthalide|5-18-04-00188|alpha-(p-Hydroxyphenyl)-alpha-(4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluic acid|alpha-Di(p-hydroxyphenyl)phthalide|BRN 0284423|Correctol|Dihydroxyphthalophenone|EINECS 201-004-7|Espotabs|Euchessina|Evac-Q-Kit|Evac-Q-Kwik|Evac-U-Gen|Evac-V-Lax|Feen-A-Mint Gum|FemiLax|Fenolftalein|fenolftaleina|ISOBENZOFURAN-1(3H)-ONE, 3,3-BIS(4-HYDROXYPHENYL)-|Lax-Pills|Laxogen|Medilax|NCI-C55798|NSC 10464|NSC 215214|Phenolax|Phenolphtaleine|Phenolphthaleinum|Phenophthalein|Phthalide 3,3,-bis(p-hydroxyphenyl)-|Phthalimetten|Phthalin|Purgophen|Spulmako-lax|390417-24-0|467-29-8|546094-13-7|57214-20-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021125 https://doi.org/10.22427/NTP-DATA-DTXSID0021125
ERPathway2016 ERPathway2016_182 Phenolphthalein 77-09-8 DTXSID0021125 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenolphthalein 77-09-8|Phenolphthalein|1(3H)-ISOBENZOFURANONE, 3,3-BIS(4-HYDROXYPHENYL)|1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-|3,3-BIS (P-HYDROXY-PHENYL)-PHTHALIDE|3,3-Bis(4-hydroxyphenyl)-1-(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one|3,3-Bis(4-hydroxyphenyl)phthalide|3,3-Bis(p-hydroxyphenyl)phthalide|5-18-04-00188|alpha-(p-Hydroxyphenyl)-alpha-(4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluic acid|alpha-Di(p-hydroxyphenyl)phthalide|BRN 0284423|Correctol|Dihydroxyphthalophenone|EINECS 201-004-7|Espotabs|Euchessina|Evac-Q-Kit|Evac-Q-Kwik|Evac-U-Gen|Evac-V-Lax|Feen-A-Mint Gum|FemiLax|Fenolftalein|fenolftaleina|ISOBENZOFURAN-1(3H)-ONE, 3,3-BIS(4-HYDROXYPHENYL)-|Lax-Pills|Laxogen|Medilax|NCI-C55798|NSC 10464|NSC 215214|Phenolax|Phenolphtaleine|Phenolphthaleinum|Phenophthalein|Phthalide 3,3,-bis(p-hydroxyphenyl)-|Phthalimetten|Phthalin|Purgophen|Spulmako-lax|390417-24-0|467-29-8|546094-13-7|57214-20-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021125 https://doi.org/10.22427/NTP-DATA-DTXSID0021125
ERPathway2016 ERPathway2016_182 Phenolphthalein 77-09-8 DTXSID0021125 Agonist ER Pathway Model, Antagonist Call Active Unitless OC1=CC=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC=C(O)C=C1 Phenolphthalein 77-09-8|Phenolphthalein|1(3H)-ISOBENZOFURANONE, 3,3-BIS(4-HYDROXYPHENYL)|1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-|3,3-BIS (P-HYDROXY-PHENYL)-PHTHALIDE|3,3-Bis(4-hydroxyphenyl)-1-(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone|3,3-Bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one|3,3-Bis(4-hydroxyphenyl)phthalide|3,3-Bis(p-hydroxyphenyl)phthalide|5-18-04-00188|alpha-(p-Hydroxyphenyl)-alpha-(4-oxo-2,5-cyclohexadien-1-ylidene)-o-toluic acid|alpha-Di(p-hydroxyphenyl)phthalide|BRN 0284423|Correctol|Dihydroxyphthalophenone|EINECS 201-004-7|Espotabs|Euchessina|Evac-Q-Kit|Evac-Q-Kwik|Evac-U-Gen|Evac-V-Lax|Feen-A-Mint Gum|FemiLax|Fenolftalein|fenolftaleina|ISOBENZOFURAN-1(3H)-ONE, 3,3-BIS(4-HYDROXYPHENYL)-|Lax-Pills|Laxogen|Medilax|NCI-C55798|NSC 10464|NSC 215214|Phenolax|Phenolphtaleine|Phenolphthaleinum|Phenophthalein|Phthalide 3,3,-bis(p-hydroxyphenyl)-|Phthalimetten|Phthalin|Purgophen|Spulmako-lax|390417-24-0|467-29-8|546094-13-7|57214-20-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021125 https://doi.org/10.22427/NTP-DATA-DTXSID0021125
ARPathway2016 ARPathway2016_1618 Phenolphthalin 81-90-3 DTXSID5022439 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=C(C=CC=C1)C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Phenolphthalin 81-90-3|Phenolphthalin|EINECS 201-384-4|Mondane Plus https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022439
ARPathway2016 ARPathway2016_1618 Phenolphthalin 81-90-3 DTXSID5022439 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=C(C=CC=C1)C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Phenolphthalin 81-90-3|Phenolphthalin|EINECS 201-384-4|Mondane Plus https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022439
ARPathway2016 ARPathway2016_1618 Phenolphthalin 81-90-3 DTXSID5022439 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=C(C=CC=C1)C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Phenolphthalin 81-90-3|Phenolphthalin|EINECS 201-384-4|Mondane Plus https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022439
ARPathway2016 ARPathway2016_1618 Phenolphthalin 81-90-3 DTXSID5022439 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=C(C=CC=C1)C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Phenolphthalin 81-90-3|Phenolphthalin|EINECS 201-384-4|Mondane Plus https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022439
ERPathway2016 ERPathway2016_281 Phenolphthalin 81-90-3 DTXSID5022439 ER Pathway Model, Antagonist AC50 12.0920587085843 uM OC(=O)C1=C(C=CC=C1)C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Phenolphthalin 81-90-3|Phenolphthalin|EINECS 201-384-4|Mondane Plus https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022439
ERPathway2016 ERPathway2016_281 Phenolphthalin 81-90-3 DTXSID5022439 ER Pathway Model, Antagonist ACC 7.71413881539191 uM OC(=O)C1=C(C=CC=C1)C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Phenolphthalin 81-90-3|Phenolphthalin|EINECS 201-384-4|Mondane Plus https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022439
ERPathway2016 ERPathway2016_281 Phenolphthalin 81-90-3 DTXSID5022439 ER Pathway Model, Agonist Model Score 0.0459 Unitless OC(=O)C1=C(C=CC=C1)C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Phenolphthalin 81-90-3|Phenolphthalin|EINECS 201-384-4|Mondane Plus https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022439
ERPathway2016 ERPathway2016_281 Phenolphthalin 81-90-3 DTXSID5022439 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=C(C=CC=C1)C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Phenolphthalin 81-90-3|Phenolphthalin|EINECS 201-384-4|Mondane Plus https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022439
ERPathway2016 ERPathway2016_281 Phenolphthalin 81-90-3 DTXSID5022439 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=C(C=CC=C1)C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Phenolphthalin 81-90-3|Phenolphthalin|EINECS 201-384-4|Mondane Plus https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022439
ERPathway2016 ERPathway2016_281 Phenolphthalin 81-90-3 DTXSID5022439 ER Pathway Model, Antagonist Call Active Unitless OC(=O)C1=C(C=CC=C1)C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 Phenolphthalin 81-90-3|Phenolphthalin|EINECS 201-384-4|Mondane Plus https://comptox.epa.gov/dashboard/chemical/details/DTXSID5022439
ARPathway2016 ARPathway2016_791 Phenolsulfonic acid 1333-39-7 DTXSID1027390 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O*.OS(=O)(=O)C1=CC=CC=C1 |c:7,9,t:5,lp:0:2,2:2,4:2,5:2,m:1:9.10.11| Phenolsulfonic acid 1333-39-7|Phenolsulfonic acid|Acide hydroxybenzenesulfonique|Acido bencenosulfonico, hidroxi -|acido hidroxibencenosulfonico|BENZENESULFONIC ACID HYDROXY|Benzenesulfonic acid, hydroxy-|CA 645A|Caswell No. 650|EINECS 215-587-0|EPA Pesticide Chemical Code 064102|Hydroxy benzenesulfonic acid|hydroxybenzenesulphonic acid|Hydroxybenzolsulfonsaure|Resinol PS 63|Sulfocarbolic acid|Sulfophenol|UN 1803 (DOT)|UNII-4OOD0LGW0Q|25551-07-9|31472-80-7|790998-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027390
ARPathway2016 ARPathway2016_791 Phenolsulfonic acid 1333-39-7 DTXSID1027390 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O*.OS(=O)(=O)C1=CC=CC=C1 |c:7,9,t:5,lp:0:2,2:2,4:2,5:2,m:1:9.10.11| Phenolsulfonic acid 1333-39-7|Phenolsulfonic acid|Acide hydroxybenzenesulfonique|Acido bencenosulfonico, hidroxi -|acido hidroxibencenosulfonico|BENZENESULFONIC ACID HYDROXY|Benzenesulfonic acid, hydroxy-|CA 645A|Caswell No. 650|EINECS 215-587-0|EPA Pesticide Chemical Code 064102|Hydroxy benzenesulfonic acid|hydroxybenzenesulphonic acid|Hydroxybenzolsulfonsaure|Resinol PS 63|Sulfocarbolic acid|Sulfophenol|UN 1803 (DOT)|UNII-4OOD0LGW0Q|25551-07-9|31472-80-7|790998-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027390
ARPathway2016 ARPathway2016_791 Phenolsulfonic acid 1333-39-7 DTXSID1027390 0.0 AR Pathway Model, Agonist Call Inactive Unitless O*.OS(=O)(=O)C1=CC=CC=C1 |c:7,9,t:5,lp:0:2,2:2,4:2,5:2,m:1:9.10.11| Phenolsulfonic acid 1333-39-7|Phenolsulfonic acid|Acide hydroxybenzenesulfonique|Acido bencenosulfonico, hidroxi -|acido hidroxibencenosulfonico|BENZENESULFONIC ACID HYDROXY|Benzenesulfonic acid, hydroxy-|CA 645A|Caswell No. 650|EINECS 215-587-0|EPA Pesticide Chemical Code 064102|Hydroxy benzenesulfonic acid|hydroxybenzenesulphonic acid|Hydroxybenzolsulfonsaure|Resinol PS 63|Sulfocarbolic acid|Sulfophenol|UN 1803 (DOT)|UNII-4OOD0LGW0Q|25551-07-9|31472-80-7|790998-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027390
ARPathway2016 ARPathway2016_791 Phenolsulfonic acid 1333-39-7 DTXSID1027390 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O*.OS(=O)(=O)C1=CC=CC=C1 |c:7,9,t:5,lp:0:2,2:2,4:2,5:2,m:1:9.10.11| Phenolsulfonic acid 1333-39-7|Phenolsulfonic acid|Acide hydroxybenzenesulfonique|Acido bencenosulfonico, hidroxi -|acido hidroxibencenosulfonico|BENZENESULFONIC ACID HYDROXY|Benzenesulfonic acid, hydroxy-|CA 645A|Caswell No. 650|EINECS 215-587-0|EPA Pesticide Chemical Code 064102|Hydroxy benzenesulfonic acid|hydroxybenzenesulphonic acid|Hydroxybenzolsulfonsaure|Resinol PS 63|Sulfocarbolic acid|Sulfophenol|UN 1803 (DOT)|UNII-4OOD0LGW0Q|25551-07-9|31472-80-7|790998-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027390
ERPathway2016 ERPathway2016_750 Phenolsulfonic acid 1333-39-7 DTXSID1027390 A11 ER Pathway Model, Agonist Model Score 0 Unitless O*.OS(=O)(=O)C1=CC=CC=C1 |c:7,9,t:5,lp:0:2,2:2,4:2,5:2,m:1:9.10.11| Phenolsulfonic acid 1333-39-7|Phenolsulfonic acid|Acide hydroxybenzenesulfonique|Acido bencenosulfonico, hidroxi -|acido hidroxibencenosulfonico|BENZENESULFONIC ACID HYDROXY|Benzenesulfonic acid, hydroxy-|CA 645A|Caswell No. 650|EINECS 215-587-0|EPA Pesticide Chemical Code 064102|Hydroxy benzenesulfonic acid|hydroxybenzenesulphonic acid|Hydroxybenzolsulfonsaure|Resinol PS 63|Sulfocarbolic acid|Sulfophenol|UN 1803 (DOT)|UNII-4OOD0LGW0Q|25551-07-9|31472-80-7|790998-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027390
ERPathway2016 ERPathway2016_750 Phenolsulfonic acid 1333-39-7 DTXSID1027390 A11 ER Pathway Model, Antagonist Model Score 0 Unitless O*.OS(=O)(=O)C1=CC=CC=C1 |c:7,9,t:5,lp:0:2,2:2,4:2,5:2,m:1:9.10.11| Phenolsulfonic acid 1333-39-7|Phenolsulfonic acid|Acide hydroxybenzenesulfonique|Acido bencenosulfonico, hidroxi -|acido hidroxibencenosulfonico|BENZENESULFONIC ACID HYDROXY|Benzenesulfonic acid, hydroxy-|CA 645A|Caswell No. 650|EINECS 215-587-0|EPA Pesticide Chemical Code 064102|Hydroxy benzenesulfonic acid|hydroxybenzenesulphonic acid|Hydroxybenzolsulfonsaure|Resinol PS 63|Sulfocarbolic acid|Sulfophenol|UN 1803 (DOT)|UNII-4OOD0LGW0Q|25551-07-9|31472-80-7|790998-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027390
ERPathway2016 ERPathway2016_750 Phenolsulfonic acid 1333-39-7 DTXSID1027390 A11 ER Pathway Model, Agonist Call Inactive Unitless O*.OS(=O)(=O)C1=CC=CC=C1 |c:7,9,t:5,lp:0:2,2:2,4:2,5:2,m:1:9.10.11| Phenolsulfonic acid 1333-39-7|Phenolsulfonic acid|Acide hydroxybenzenesulfonique|Acido bencenosulfonico, hidroxi -|acido hidroxibencenosulfonico|BENZENESULFONIC ACID HYDROXY|Benzenesulfonic acid, hydroxy-|CA 645A|Caswell No. 650|EINECS 215-587-0|EPA Pesticide Chemical Code 064102|Hydroxy benzenesulfonic acid|hydroxybenzenesulphonic acid|Hydroxybenzolsulfonsaure|Resinol PS 63|Sulfocarbolic acid|Sulfophenol|UN 1803 (DOT)|UNII-4OOD0LGW0Q|25551-07-9|31472-80-7|790998-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027390
ERPathway2016 ERPathway2016_750 Phenolsulfonic acid 1333-39-7 DTXSID1027390 A11 ER Pathway Model, Antagonist Call Inactive Unitless O*.OS(=O)(=O)C1=CC=CC=C1 |c:7,9,t:5,lp:0:2,2:2,4:2,5:2,m:1:9.10.11| Phenolsulfonic acid 1333-39-7|Phenolsulfonic acid|Acide hydroxybenzenesulfonique|Acido bencenosulfonico, hidroxi -|acido hidroxibencenosulfonico|BENZENESULFONIC ACID HYDROXY|Benzenesulfonic acid, hydroxy-|CA 645A|Caswell No. 650|EINECS 215-587-0|EPA Pesticide Chemical Code 064102|Hydroxy benzenesulfonic acid|hydroxybenzenesulphonic acid|Hydroxybenzolsulfonsaure|Resinol PS 63|Sulfocarbolic acid|Sulfophenol|UN 1803 (DOT)|UNII-4OOD0LGW0Q|25551-07-9|31472-80-7|790998-17-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027390
ARPathway2016 ARPathway2016_1719 Phenothiazine 92-84-2 DTXSID5021126 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless N1C2=CC=CC=C2SC2=C1C=CC=C2 Phenothiazine 92-84-2|Phenothiazine|10H-Phenothiazin|10H-Phenothiazine|1OH-PHENOTHIAZINE|4-27-00-01214|AFI-Tiazin|Agrazine|Antage TDP|Antiverm|BRN 0143237|Caswell No. 652|Contaverm|Danikoropa|Dibenzo-1,4-thiazine|Dibenzo-p-thiazine|Dibenzoparathiazine|Dibenzothiazine|Early bird wormer|EINECS 202-196-5|EPA Pesticide Chemical Code 064501|Fenothiazine|fenotiazina|Fenoverm|Fentiazin|Helmetina|Lethelmin|Nemazene|Nemazine|Nexarbol|NSC 2037|Padophene|Penthazine|Phenegic|Phenosan|Phenothiazin|Phenothiazinum|Phenoverm|Phenovis|Phenoxur|Phenthiazine|Phenthiazinum|Phenzeen|Reconox|Souframine|Thiodifenylamine|Thiodiphenylamin|Thiodiphenylamine|Tiodifenilamina|UNII-GS9EX7QNU6|Wurm-thional|8023-30-1|8048-22-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021126 https://doi.org/10.22427/NTP-DATA-DTXSID5021126
ARPathway2016 ARPathway2016_1719 Phenothiazine 92-84-2 DTXSID5021126 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless N1C2=CC=CC=C2SC2=C1C=CC=C2 Phenothiazine 92-84-2|Phenothiazine|10H-Phenothiazin|10H-Phenothiazine|1OH-PHENOTHIAZINE|4-27-00-01214|AFI-Tiazin|Agrazine|Antage TDP|Antiverm|BRN 0143237|Caswell No. 652|Contaverm|Danikoropa|Dibenzo-1,4-thiazine|Dibenzo-p-thiazine|Dibenzoparathiazine|Dibenzothiazine|Early bird wormer|EINECS 202-196-5|EPA Pesticide Chemical Code 064501|Fenothiazine|fenotiazina|Fenoverm|Fentiazin|Helmetina|Lethelmin|Nemazene|Nemazine|Nexarbol|NSC 2037|Padophene|Penthazine|Phenegic|Phenosan|Phenothiazin|Phenothiazinum|Phenoverm|Phenovis|Phenoxur|Phenthiazine|Phenthiazinum|Phenzeen|Reconox|Souframine|Thiodifenylamine|Thiodiphenylamin|Thiodiphenylamine|Tiodifenilamina|UNII-GS9EX7QNU6|Wurm-thional|8023-30-1|8048-22-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021126 https://doi.org/10.22427/NTP-DATA-DTXSID5021126
ARPathway2016 ARPathway2016_1719 Phenothiazine 92-84-2 DTXSID5021126 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Call Inactive Unitless N1C2=CC=CC=C2SC2=C1C=CC=C2 Phenothiazine 92-84-2|Phenothiazine|10H-Phenothiazin|10H-Phenothiazine|1OH-PHENOTHIAZINE|4-27-00-01214|AFI-Tiazin|Agrazine|Antage TDP|Antiverm|BRN 0143237|Caswell No. 652|Contaverm|Danikoropa|Dibenzo-1,4-thiazine|Dibenzo-p-thiazine|Dibenzoparathiazine|Dibenzothiazine|Early bird wormer|EINECS 202-196-5|EPA Pesticide Chemical Code 064501|Fenothiazine|fenotiazina|Fenoverm|Fentiazin|Helmetina|Lethelmin|Nemazene|Nemazine|Nexarbol|NSC 2037|Padophene|Penthazine|Phenegic|Phenosan|Phenothiazin|Phenothiazinum|Phenoverm|Phenovis|Phenoxur|Phenthiazine|Phenthiazinum|Phenzeen|Reconox|Souframine|Thiodifenylamine|Thiodiphenylamin|Thiodiphenylamine|Tiodifenilamina|UNII-GS9EX7QNU6|Wurm-thional|8023-30-1|8048-22-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021126 https://doi.org/10.22427/NTP-DATA-DTXSID5021126
ARPathway2016 ARPathway2016_1719 Phenothiazine 92-84-2 DTXSID5021126 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless N1C2=CC=CC=C2SC2=C1C=CC=C2 Phenothiazine 92-84-2|Phenothiazine|10H-Phenothiazin|10H-Phenothiazine|1OH-PHENOTHIAZINE|4-27-00-01214|AFI-Tiazin|Agrazine|Antage TDP|Antiverm|BRN 0143237|Caswell No. 652|Contaverm|Danikoropa|Dibenzo-1,4-thiazine|Dibenzo-p-thiazine|Dibenzoparathiazine|Dibenzothiazine|Early bird wormer|EINECS 202-196-5|EPA Pesticide Chemical Code 064501|Fenothiazine|fenotiazina|Fenoverm|Fentiazin|Helmetina|Lethelmin|Nemazene|Nemazine|Nexarbol|NSC 2037|Padophene|Penthazine|Phenegic|Phenosan|Phenothiazin|Phenothiazinum|Phenoverm|Phenovis|Phenoxur|Phenthiazine|Phenthiazinum|Phenzeen|Reconox|Souframine|Thiodifenylamine|Thiodiphenylamin|Thiodiphenylamine|Tiodifenilamina|UNII-GS9EX7QNU6|Wurm-thional|8023-30-1|8048-22-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021126 https://doi.org/10.22427/NTP-DATA-DTXSID5021126
ERPathway2016 ERPathway2016_379 Phenothiazine 92-84-2 DTXSID5021126 ER Pathway Model, Antagonist AC50 14.8089033821528 uM N1C2=CC=CC=C2SC2=C1C=CC=C2 Phenothiazine 92-84-2|Phenothiazine|10H-Phenothiazin|10H-Phenothiazine|1OH-PHENOTHIAZINE|4-27-00-01214|AFI-Tiazin|Agrazine|Antage TDP|Antiverm|BRN 0143237|Caswell No. 652|Contaverm|Danikoropa|Dibenzo-1,4-thiazine|Dibenzo-p-thiazine|Dibenzoparathiazine|Dibenzothiazine|Early bird wormer|EINECS 202-196-5|EPA Pesticide Chemical Code 064501|Fenothiazine|fenotiazina|Fenoverm|Fentiazin|Helmetina|Lethelmin|Nemazene|Nemazine|Nexarbol|NSC 2037|Padophene|Penthazine|Phenegic|Phenosan|Phenothiazin|Phenothiazinum|Phenoverm|Phenovis|Phenoxur|Phenthiazine|Phenthiazinum|Phenzeen|Reconox|Souframine|Thiodifenylamine|Thiodiphenylamin|Thiodiphenylamine|Tiodifenilamina|UNII-GS9EX7QNU6|Wurm-thional|8023-30-1|8048-22-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021126 https://doi.org/10.22427/NTP-DATA-DTXSID5021126
ERPathway2016 ERPathway2016_379 Phenothiazine 92-84-2 DTXSID5021126 ER Pathway Model, Antagonist ACC 13.3072236595696 uM N1C2=CC=CC=C2SC2=C1C=CC=C2 Phenothiazine 92-84-2|Phenothiazine|10H-Phenothiazin|10H-Phenothiazine|1OH-PHENOTHIAZINE|4-27-00-01214|AFI-Tiazin|Agrazine|Antage TDP|Antiverm|BRN 0143237|Caswell No. 652|Contaverm|Danikoropa|Dibenzo-1,4-thiazine|Dibenzo-p-thiazine|Dibenzoparathiazine|Dibenzothiazine|Early bird wormer|EINECS 202-196-5|EPA Pesticide Chemical Code 064501|Fenothiazine|fenotiazina|Fenoverm|Fentiazin|Helmetina|Lethelmin|Nemazene|Nemazine|Nexarbol|NSC 2037|Padophene|Penthazine|Phenegic|Phenosan|Phenothiazin|Phenothiazinum|Phenoverm|Phenovis|Phenoxur|Phenthiazine|Phenthiazinum|Phenzeen|Reconox|Souframine|Thiodifenylamine|Thiodiphenylamin|Thiodiphenylamine|Tiodifenilamina|UNII-GS9EX7QNU6|Wurm-thional|8023-30-1|8048-22-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021126 https://doi.org/10.22427/NTP-DATA-DTXSID5021126
ERPathway2016 ERPathway2016_379 Phenothiazine 92-84-2 DTXSID5021126 ER Pathway Model, Agonist Model Score 0.0122 Unitless N1C2=CC=CC=C2SC2=C1C=CC=C2 Phenothiazine 92-84-2|Phenothiazine|10H-Phenothiazin|10H-Phenothiazine|1OH-PHENOTHIAZINE|4-27-00-01214|AFI-Tiazin|Agrazine|Antage TDP|Antiverm|BRN 0143237|Caswell No. 652|Contaverm|Danikoropa|Dibenzo-1,4-thiazine|Dibenzo-p-thiazine|Dibenzoparathiazine|Dibenzothiazine|Early bird wormer|EINECS 202-196-5|EPA Pesticide Chemical Code 064501|Fenothiazine|fenotiazina|Fenoverm|Fentiazin|Helmetina|Lethelmin|Nemazene|Nemazine|Nexarbol|NSC 2037|Padophene|Penthazine|Phenegic|Phenosan|Phenothiazin|Phenothiazinum|Phenoverm|Phenovis|Phenoxur|Phenthiazine|Phenthiazinum|Phenzeen|Reconox|Souframine|Thiodifenylamine|Thiodiphenylamin|Thiodiphenylamine|Tiodifenilamina|UNII-GS9EX7QNU6|Wurm-thional|8023-30-1|8048-22-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021126 https://doi.org/10.22427/NTP-DATA-DTXSID5021126
ERPathway2016 ERPathway2016_379 Phenothiazine 92-84-2 DTXSID5021126 ER Pathway Model, Antagonist Model Score 0 Unitless N1C2=CC=CC=C2SC2=C1C=CC=C2 Phenothiazine 92-84-2|Phenothiazine|10H-Phenothiazin|10H-Phenothiazine|1OH-PHENOTHIAZINE|4-27-00-01214|AFI-Tiazin|Agrazine|Antage TDP|Antiverm|BRN 0143237|Caswell No. 652|Contaverm|Danikoropa|Dibenzo-1,4-thiazine|Dibenzo-p-thiazine|Dibenzoparathiazine|Dibenzothiazine|Early bird wormer|EINECS 202-196-5|EPA Pesticide Chemical Code 064501|Fenothiazine|fenotiazina|Fenoverm|Fentiazin|Helmetina|Lethelmin|Nemazene|Nemazine|Nexarbol|NSC 2037|Padophene|Penthazine|Phenegic|Phenosan|Phenothiazin|Phenothiazinum|Phenoverm|Phenovis|Phenoxur|Phenthiazine|Phenthiazinum|Phenzeen|Reconox|Souframine|Thiodifenylamine|Thiodiphenylamin|Thiodiphenylamine|Tiodifenilamina|UNII-GS9EX7QNU6|Wurm-thional|8023-30-1|8048-22-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021126 https://doi.org/10.22427/NTP-DATA-DTXSID5021126
ERPathway2016 ERPathway2016_379 Phenothiazine 92-84-2 DTXSID5021126 ER Pathway Model, Agonist Call Inactive Unitless N1C2=CC=CC=C2SC2=C1C=CC=C2 Phenothiazine 92-84-2|Phenothiazine|10H-Phenothiazin|10H-Phenothiazine|1OH-PHENOTHIAZINE|4-27-00-01214|AFI-Tiazin|Agrazine|Antage TDP|Antiverm|BRN 0143237|Caswell No. 652|Contaverm|Danikoropa|Dibenzo-1,4-thiazine|Dibenzo-p-thiazine|Dibenzoparathiazine|Dibenzothiazine|Early bird wormer|EINECS 202-196-5|EPA Pesticide Chemical Code 064501|Fenothiazine|fenotiazina|Fenoverm|Fentiazin|Helmetina|Lethelmin|Nemazene|Nemazine|Nexarbol|NSC 2037|Padophene|Penthazine|Phenegic|Phenosan|Phenothiazin|Phenothiazinum|Phenoverm|Phenovis|Phenoxur|Phenthiazine|Phenthiazinum|Phenzeen|Reconox|Souframine|Thiodifenylamine|Thiodiphenylamin|Thiodiphenylamine|Tiodifenilamina|UNII-GS9EX7QNU6|Wurm-thional|8023-30-1|8048-22-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021126 https://doi.org/10.22427/NTP-DATA-DTXSID5021126
ERPathway2016 ERPathway2016_379 Phenothiazine 92-84-2 DTXSID5021126 ER Pathway Model, Antagonist Call Active Unitless N1C2=CC=CC=C2SC2=C1C=CC=C2 Phenothiazine 92-84-2|Phenothiazine|10H-Phenothiazin|10H-Phenothiazine|1OH-PHENOTHIAZINE|4-27-00-01214|AFI-Tiazin|Agrazine|Antage TDP|Antiverm|BRN 0143237|Caswell No. 652|Contaverm|Danikoropa|Dibenzo-1,4-thiazine|Dibenzo-p-thiazine|Dibenzoparathiazine|Dibenzothiazine|Early bird wormer|EINECS 202-196-5|EPA Pesticide Chemical Code 064501|Fenothiazine|fenotiazina|Fenoverm|Fentiazin|Helmetina|Lethelmin|Nemazene|Nemazine|Nexarbol|NSC 2037|Padophene|Penthazine|Phenegic|Phenosan|Phenothiazin|Phenothiazinum|Phenoverm|Phenovis|Phenoxur|Phenthiazine|Phenthiazinum|Phenzeen|Reconox|Souframine|Thiodifenylamine|Thiodiphenylamin|Thiodiphenylamine|Tiodifenilamina|UNII-GS9EX7QNU6|Wurm-thional|8023-30-1|8048-22-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021126 https://doi.org/10.22427/NTP-DATA-DTXSID5021126
ARPathway2016 ARPathway2016_1064 Phenothrin 26002-80-2 DTXSID7032688 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CC1C(C(=O)OCC2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C Phenothrin 26002-80-2|Phenothrin|(3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate de 3-phenoxybenzyle|2-dimetil-3-(metilpropenil)ciclopropanocarboxilato de 3-fenoxibencilo|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid m-phenoxybenzyl ester|3-Phenoxybenzyl (+-)-cis-trans-chrysanthemate|3-Phenoxybenzyl (1R)-cis-trans-chrysanthemate|3-Phenoxybenzyl (1RS,3RS;1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl (1RS)-cis,trans-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl (1RS)-cis,trans-chrysanthemate|3-phenoxybenzyl 2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate|3-Phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl chrysanthemate|3-Phenoxybenzyl-2-dimethyl-3-(methylpropenyl)cyclopropancarboxylat|Anchimanaito 20S|Caswell No. 652B|Cyclopropane carbo|53528-32-8|73170-79-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032688
ARPathway2016 ARPathway2016_1064 Phenothrin 26002-80-2 DTXSID7032688 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=CC1C(C(=O)OCC2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C Phenothrin 26002-80-2|Phenothrin|(3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate de 3-phenoxybenzyle|2-dimetil-3-(metilpropenil)ciclopropanocarboxilato de 3-fenoxibencilo|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid m-phenoxybenzyl ester|3-Phenoxybenzyl (+-)-cis-trans-chrysanthemate|3-Phenoxybenzyl (1R)-cis-trans-chrysanthemate|3-Phenoxybenzyl (1RS,3RS;1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl (1RS)-cis,trans-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl (1RS)-cis,trans-chrysanthemate|3-phenoxybenzyl 2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate|3-Phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl chrysanthemate|3-Phenoxybenzyl-2-dimethyl-3-(methylpropenyl)cyclopropancarboxylat|Anchimanaito 20S|Caswell No. 652B|Cyclopropane carbo|53528-32-8|73170-79-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032688
ARPathway2016 ARPathway2016_1064 Phenothrin 26002-80-2 DTXSID7032688 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CC(C)=CC1C(C(=O)OCC2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C Phenothrin 26002-80-2|Phenothrin|(3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate de 3-phenoxybenzyle|2-dimetil-3-(metilpropenil)ciclopropanocarboxilato de 3-fenoxibencilo|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid m-phenoxybenzyl ester|3-Phenoxybenzyl (+-)-cis-trans-chrysanthemate|3-Phenoxybenzyl (1R)-cis-trans-chrysanthemate|3-Phenoxybenzyl (1RS,3RS;1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl (1RS)-cis,trans-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl (1RS)-cis,trans-chrysanthemate|3-phenoxybenzyl 2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate|3-Phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl chrysanthemate|3-Phenoxybenzyl-2-dimethyl-3-(methylpropenyl)cyclopropancarboxylat|Anchimanaito 20S|Caswell No. 652B|Cyclopropane carbo|53528-32-8|73170-79-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032688
ARPathway2016 ARPathway2016_1064 Phenothrin 26002-80-2 DTXSID7032688 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=CC1C(C(=O)OCC2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C Phenothrin 26002-80-2|Phenothrin|(3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate de 3-phenoxybenzyle|2-dimetil-3-(metilpropenil)ciclopropanocarboxilato de 3-fenoxibencilo|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid m-phenoxybenzyl ester|3-Phenoxybenzyl (+-)-cis-trans-chrysanthemate|3-Phenoxybenzyl (1R)-cis-trans-chrysanthemate|3-Phenoxybenzyl (1RS,3RS;1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl (1RS)-cis,trans-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl (1RS)-cis,trans-chrysanthemate|3-phenoxybenzyl 2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate|3-Phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl chrysanthemate|3-Phenoxybenzyl-2-dimethyl-3-(methylpropenyl)cyclopropancarboxylat|Anchimanaito 20S|Caswell No. 652B|Cyclopropane carbo|53528-32-8|73170-79-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032688
ERPathway2016 ERPathway2016_773 Phenothrin 26002-80-2 DTXSID7032688 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)=CC1C(C(=O)OCC2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C Phenothrin 26002-80-2|Phenothrin|(3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate de 3-phenoxybenzyle|2-dimetil-3-(metilpropenil)ciclopropanocarboxilato de 3-fenoxibencilo|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid m-phenoxybenzyl ester|3-Phenoxybenzyl (+-)-cis-trans-chrysanthemate|3-Phenoxybenzyl (1R)-cis-trans-chrysanthemate|3-Phenoxybenzyl (1RS,3RS;1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl (1RS)-cis,trans-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl (1RS)-cis,trans-chrysanthemate|3-phenoxybenzyl 2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate|3-Phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl chrysanthemate|3-Phenoxybenzyl-2-dimethyl-3-(methylpropenyl)cyclopropancarboxylat|Anchimanaito 20S|Caswell No. 652B|Cyclopropane carbo|53528-32-8|73170-79-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032688
ERPathway2016 ERPathway2016_773 Phenothrin 26002-80-2 DTXSID7032688 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CC1C(C(=O)OCC2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C Phenothrin 26002-80-2|Phenothrin|(3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate de 3-phenoxybenzyle|2-dimetil-3-(metilpropenil)ciclopropanocarboxilato de 3-fenoxibencilo|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid m-phenoxybenzyl ester|3-Phenoxybenzyl (+-)-cis-trans-chrysanthemate|3-Phenoxybenzyl (1R)-cis-trans-chrysanthemate|3-Phenoxybenzyl (1RS,3RS;1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl (1RS)-cis,trans-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl (1RS)-cis,trans-chrysanthemate|3-phenoxybenzyl 2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate|3-Phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl chrysanthemate|3-Phenoxybenzyl-2-dimethyl-3-(methylpropenyl)cyclopropancarboxylat|Anchimanaito 20S|Caswell No. 652B|Cyclopropane carbo|53528-32-8|73170-79-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032688
ERPathway2016 ERPathway2016_773 Phenothrin 26002-80-2 DTXSID7032688 ER Pathway Model, Agonist Call Inactive Unitless CC(C)=CC1C(C(=O)OCC2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C Phenothrin 26002-80-2|Phenothrin|(3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate de 3-phenoxybenzyle|2-dimetil-3-(metilpropenil)ciclopropanocarboxilato de 3-fenoxibencilo|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid m-phenoxybenzyl ester|3-Phenoxybenzyl (+-)-cis-trans-chrysanthemate|3-Phenoxybenzyl (1R)-cis-trans-chrysanthemate|3-Phenoxybenzyl (1RS,3RS;1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl (1RS)-cis,trans-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl (1RS)-cis,trans-chrysanthemate|3-phenoxybenzyl 2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate|3-Phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl chrysanthemate|3-Phenoxybenzyl-2-dimethyl-3-(methylpropenyl)cyclopropancarboxylat|Anchimanaito 20S|Caswell No. 652B|Cyclopropane carbo|53528-32-8|73170-79-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032688
ERPathway2016 ERPathway2016_773 Phenothrin 26002-80-2 DTXSID7032688 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)=CC1C(C(=O)OCC2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C Phenothrin 26002-80-2|Phenothrin|(3-Phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate de 3-phenoxybenzyle|2-dimetil-3-(metilpropenil)ciclopropanocarboxilato de 3-fenoxibencilo|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid m-phenoxybenzyl ester|3-Phenoxybenzyl (+-)-cis-trans-chrysanthemate|3-Phenoxybenzyl (1R)-cis-trans-chrysanthemate|3-Phenoxybenzyl (1RS,3RS;1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl (1RS)-cis,trans-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl (1RS)-cis,trans-chrysanthemate|3-phenoxybenzyl 2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate|3-Phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Phenoxybenzyl chrysanthemate|3-Phenoxybenzyl-2-dimethyl-3-(methylpropenyl)cyclopropancarboxylat|Anchimanaito 20S|Caswell No. 652B|Cyclopropane carbo|53528-32-8|73170-79-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032688
ARPathway2016 ARPathway2016_1733 Phenyl benzoate 93-99-2 DTXSID0048210 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C(OC1=CC=CC=C1)C1=CC=CC=C1 Phenyl benzoate 93-99-2|Phenyl benzoate|4-09-00-00303|benzoate de phenyle|BENZOATE, PHENYL-|benzoato de fenilo|benzoic acid phenyl ester|Benzoic acid, phenyl ester|BENZOIC ACID, PHENYLESTER|BRN 1566346|diphenylcarboxylate|EINECS 202-293-2|NSC 37086|Phenol, benzoate|Phenyl ester benzoic acid|Phenylbenzoat|UNII-B8A3WVZ590 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048210
ARPathway2016 ARPathway2016_1733 Phenyl benzoate 93-99-2 DTXSID0048210 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C(OC1=CC=CC=C1)C1=CC=CC=C1 Phenyl benzoate 93-99-2|Phenyl benzoate|4-09-00-00303|benzoate de phenyle|BENZOATE, PHENYL-|benzoato de fenilo|benzoic acid phenyl ester|Benzoic acid, phenyl ester|BENZOIC ACID, PHENYLESTER|BRN 1566346|diphenylcarboxylate|EINECS 202-293-2|NSC 37086|Phenol, benzoate|Phenyl ester benzoic acid|Phenylbenzoat|UNII-B8A3WVZ590 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048210
ARPathway2016 ARPathway2016_1733 Phenyl benzoate 93-99-2 DTXSID0048210 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C(OC1=CC=CC=C1)C1=CC=CC=C1 Phenyl benzoate 93-99-2|Phenyl benzoate|4-09-00-00303|benzoate de phenyle|BENZOATE, PHENYL-|benzoato de fenilo|benzoic acid phenyl ester|Benzoic acid, phenyl ester|BENZOIC ACID, PHENYLESTER|BRN 1566346|diphenylcarboxylate|EINECS 202-293-2|NSC 37086|Phenol, benzoate|Phenyl ester benzoic acid|Phenylbenzoat|UNII-B8A3WVZ590 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048210
ARPathway2016 ARPathway2016_1733 Phenyl benzoate 93-99-2 DTXSID0048210 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C(OC1=CC=CC=C1)C1=CC=CC=C1 Phenyl benzoate 93-99-2|Phenyl benzoate|4-09-00-00303|benzoate de phenyle|BENZOATE, PHENYL-|benzoato de fenilo|benzoic acid phenyl ester|Benzoic acid, phenyl ester|BENZOIC ACID, PHENYLESTER|BRN 1566346|diphenylcarboxylate|EINECS 202-293-2|NSC 37086|Phenol, benzoate|Phenyl ester benzoic acid|Phenylbenzoat|UNII-B8A3WVZ590 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048210
ERPathway2016 ERPathway2016_990 Phenyl benzoate 93-99-2 DTXSID0048210 ER Pathway Model, Agonist Model Score 0 Unitless O=C(OC1=CC=CC=C1)C1=CC=CC=C1 Phenyl benzoate 93-99-2|Phenyl benzoate|4-09-00-00303|benzoate de phenyle|BENZOATE, PHENYL-|benzoato de fenilo|benzoic acid phenyl ester|Benzoic acid, phenyl ester|BENZOIC ACID, PHENYLESTER|BRN 1566346|diphenylcarboxylate|EINECS 202-293-2|NSC 37086|Phenol, benzoate|Phenyl ester benzoic acid|Phenylbenzoat|UNII-B8A3WVZ590 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048210
ERPathway2016 ERPathway2016_990 Phenyl benzoate 93-99-2 DTXSID0048210 ER Pathway Model, Antagonist Model Score 0 Unitless O=C(OC1=CC=CC=C1)C1=CC=CC=C1 Phenyl benzoate 93-99-2|Phenyl benzoate|4-09-00-00303|benzoate de phenyle|BENZOATE, PHENYL-|benzoato de fenilo|benzoic acid phenyl ester|Benzoic acid, phenyl ester|BENZOIC ACID, PHENYLESTER|BRN 1566346|diphenylcarboxylate|EINECS 202-293-2|NSC 37086|Phenol, benzoate|Phenyl ester benzoic acid|Phenylbenzoat|UNII-B8A3WVZ590 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048210
ERPathway2016 ERPathway2016_990 Phenyl benzoate 93-99-2 DTXSID0048210 ER Pathway Model, Agonist Call Inactive Unitless O=C(OC1=CC=CC=C1)C1=CC=CC=C1 Phenyl benzoate 93-99-2|Phenyl benzoate|4-09-00-00303|benzoate de phenyle|BENZOATE, PHENYL-|benzoato de fenilo|benzoic acid phenyl ester|Benzoic acid, phenyl ester|BENZOIC ACID, PHENYLESTER|BRN 1566346|diphenylcarboxylate|EINECS 202-293-2|NSC 37086|Phenol, benzoate|Phenyl ester benzoic acid|Phenylbenzoat|UNII-B8A3WVZ590 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048210
ERPathway2016 ERPathway2016_990 Phenyl benzoate 93-99-2 DTXSID0048210 ER Pathway Model, Antagonist Call Inactive Unitless O=C(OC1=CC=CC=C1)C1=CC=CC=C1 Phenyl benzoate 93-99-2|Phenyl benzoate|4-09-00-00303|benzoate de phenyle|BENZOATE, PHENYL-|benzoato de fenilo|benzoic acid phenyl ester|Benzoic acid, phenyl ester|BENZOIC ACID, PHENYLESTER|BRN 1566346|diphenylcarboxylate|EINECS 202-293-2|NSC 37086|Phenol, benzoate|Phenyl ester benzoic acid|Phenylbenzoat|UNII-B8A3WVZ590 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0048210
ARPathway2016 ARPathway2016_1438 Phenyl phosphorus dichloride 644-97-3 DTXSID4027282 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClP(Cl)C1=CC=CC=C1 Phenyl phosphorus dichloride 644-97-3|Phenyl phosphorus dichloride|4-16-00-00972|Benzene phosphorus dichloride|Benzenephosphonous dichloride|Benzenephosphorus dichloride|BRN 0508189|Dichlor(phenyl)phosphin|Dichloro(phenyl)phosphine|Dichlorophenylphosphine|dicloro(fenil)fosfina|EINECS 211-425-8|NSC 66478|Phenyldichlorophosphine|Phenylphosphine dichloride|Phenylphosphinous dichloride|Phenylphosphonous acid dichloride|Phenylphosphonous dichloride|Phenylphosphorus dichloride|Phosphine, dichlorophenyl-|Phosphonous dichloride, P-phenyl-|Phosphonous dichloride, phenyl-|UN 2798|UNII-WRU258L1EW https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027282
ARPathway2016 ARPathway2016_1438 Phenyl phosphorus dichloride 644-97-3 DTXSID4027282 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClP(Cl)C1=CC=CC=C1 Phenyl phosphorus dichloride 644-97-3|Phenyl phosphorus dichloride|4-16-00-00972|Benzene phosphorus dichloride|Benzenephosphonous dichloride|Benzenephosphorus dichloride|BRN 0508189|Dichlor(phenyl)phosphin|Dichloro(phenyl)phosphine|Dichlorophenylphosphine|dicloro(fenil)fosfina|EINECS 211-425-8|NSC 66478|Phenyldichlorophosphine|Phenylphosphine dichloride|Phenylphosphinous dichloride|Phenylphosphonous acid dichloride|Phenylphosphonous dichloride|Phenylphosphorus dichloride|Phosphine, dichlorophenyl-|Phosphonous dichloride, P-phenyl-|Phosphonous dichloride, phenyl-|UN 2798|UNII-WRU258L1EW https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027282
ARPathway2016 ARPathway2016_1438 Phenyl phosphorus dichloride 644-97-3 DTXSID4027282 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClP(Cl)C1=CC=CC=C1 Phenyl phosphorus dichloride 644-97-3|Phenyl phosphorus dichloride|4-16-00-00972|Benzene phosphorus dichloride|Benzenephosphonous dichloride|Benzenephosphorus dichloride|BRN 0508189|Dichlor(phenyl)phosphin|Dichloro(phenyl)phosphine|Dichlorophenylphosphine|dicloro(fenil)fosfina|EINECS 211-425-8|NSC 66478|Phenyldichlorophosphine|Phenylphosphine dichloride|Phenylphosphinous dichloride|Phenylphosphonous acid dichloride|Phenylphosphonous dichloride|Phenylphosphorus dichloride|Phosphine, dichlorophenyl-|Phosphonous dichloride, P-phenyl-|Phosphonous dichloride, phenyl-|UN 2798|UNII-WRU258L1EW https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027282
ARPathway2016 ARPathway2016_1438 Phenyl phosphorus dichloride 644-97-3 DTXSID4027282 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClP(Cl)C1=CC=CC=C1 Phenyl phosphorus dichloride 644-97-3|Phenyl phosphorus dichloride|4-16-00-00972|Benzene phosphorus dichloride|Benzenephosphonous dichloride|Benzenephosphorus dichloride|BRN 0508189|Dichlor(phenyl)phosphin|Dichloro(phenyl)phosphine|Dichlorophenylphosphine|dicloro(fenil)fosfina|EINECS 211-425-8|NSC 66478|Phenyldichlorophosphine|Phenylphosphine dichloride|Phenylphosphinous dichloride|Phenylphosphonous acid dichloride|Phenylphosphonous dichloride|Phenylphosphorus dichloride|Phosphine, dichlorophenyl-|Phosphonous dichloride, P-phenyl-|Phosphonous dichloride, phenyl-|UN 2798|UNII-WRU258L1EW https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027282
ERPathway2016 ERPathway2016_742 Phenyl phosphorus dichloride 644-97-3 DTXSID4027282 A4 ER Pathway Model, Agonist Model Score 0 Unitless ClP(Cl)C1=CC=CC=C1 Phenyl phosphorus dichloride 644-97-3|Phenyl phosphorus dichloride|4-16-00-00972|Benzene phosphorus dichloride|Benzenephosphonous dichloride|Benzenephosphorus dichloride|BRN 0508189|Dichlor(phenyl)phosphin|Dichloro(phenyl)phosphine|Dichlorophenylphosphine|dicloro(fenil)fosfina|EINECS 211-425-8|NSC 66478|Phenyldichlorophosphine|Phenylphosphine dichloride|Phenylphosphinous dichloride|Phenylphosphonous acid dichloride|Phenylphosphonous dichloride|Phenylphosphorus dichloride|Phosphine, dichlorophenyl-|Phosphonous dichloride, P-phenyl-|Phosphonous dichloride, phenyl-|UN 2798|UNII-WRU258L1EW https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027282
ERPathway2016 ERPathway2016_742 Phenyl phosphorus dichloride 644-97-3 DTXSID4027282 A4 ER Pathway Model, Antagonist Model Score 0 Unitless ClP(Cl)C1=CC=CC=C1 Phenyl phosphorus dichloride 644-97-3|Phenyl phosphorus dichloride|4-16-00-00972|Benzene phosphorus dichloride|Benzenephosphonous dichloride|Benzenephosphorus dichloride|BRN 0508189|Dichlor(phenyl)phosphin|Dichloro(phenyl)phosphine|Dichlorophenylphosphine|dicloro(fenil)fosfina|EINECS 211-425-8|NSC 66478|Phenyldichlorophosphine|Phenylphosphine dichloride|Phenylphosphinous dichloride|Phenylphosphonous acid dichloride|Phenylphosphonous dichloride|Phenylphosphorus dichloride|Phosphine, dichlorophenyl-|Phosphonous dichloride, P-phenyl-|Phosphonous dichloride, phenyl-|UN 2798|UNII-WRU258L1EW https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027282
ERPathway2016 ERPathway2016_742 Phenyl phosphorus dichloride 644-97-3 DTXSID4027282 A4 ER Pathway Model, Agonist Call Inactive Unitless ClP(Cl)C1=CC=CC=C1 Phenyl phosphorus dichloride 644-97-3|Phenyl phosphorus dichloride|4-16-00-00972|Benzene phosphorus dichloride|Benzenephosphonous dichloride|Benzenephosphorus dichloride|BRN 0508189|Dichlor(phenyl)phosphin|Dichloro(phenyl)phosphine|Dichlorophenylphosphine|dicloro(fenil)fosfina|EINECS 211-425-8|NSC 66478|Phenyldichlorophosphine|Phenylphosphine dichloride|Phenylphosphinous dichloride|Phenylphosphonous acid dichloride|Phenylphosphonous dichloride|Phenylphosphorus dichloride|Phosphine, dichlorophenyl-|Phosphonous dichloride, P-phenyl-|Phosphonous dichloride, phenyl-|UN 2798|UNII-WRU258L1EW https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027282
ERPathway2016 ERPathway2016_742 Phenyl phosphorus dichloride 644-97-3 DTXSID4027282 A4 ER Pathway Model, Antagonist Call Inactive Unitless ClP(Cl)C1=CC=CC=C1 Phenyl phosphorus dichloride 644-97-3|Phenyl phosphorus dichloride|4-16-00-00972|Benzene phosphorus dichloride|Benzenephosphonous dichloride|Benzenephosphorus dichloride|BRN 0508189|Dichlor(phenyl)phosphin|Dichloro(phenyl)phosphine|Dichlorophenylphosphine|dicloro(fenil)fosfina|EINECS 211-425-8|NSC 66478|Phenyldichlorophosphine|Phenylphosphine dichloride|Phenylphosphinous dichloride|Phenylphosphonous acid dichloride|Phenylphosphonous dichloride|Phenylphosphorus dichloride|Phosphine, dichlorophenyl-|Phosphonous dichloride, P-phenyl-|Phosphonous dichloride, phenyl-|UN 2798|UNII-WRU258L1EW https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027282
ARPathway2016 ARPathway2016_646 Phenyl salicylate 118-55-8 DTXSID6021957 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=C(C=CC=C1)C(=O)OC1=CC=CC=C1 Phenyl salicylate 118-55-8|Phenyl salicylate|2-Hydroxy-benzoic acid phenyl ester|2-Phenoxycarbonylphenol|Benzoic acid, 2-hydroxy-, phenyl ester|BRN 0393969|EINECS 204-259-2|Fenylester kyseliny salicylove|NSC 33406|Phenol salicylate|Phenyl 2-hydroxybenzoate|Phenyl-2-hydroxybenzoate|Phenylsalicylat|salicilato de fenilo|Salicylate de phenyle|SALICYLATE, PHENYL|Salicylic acid phenyl ester|Salicylic acid, phenyl ester|SALICYLSAEURE-PHENYLESTER|salol|Salphenyl|Seesorb 201|Seesorb K 201|UNII-28A37T47QO https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021957 https://doi.org/10.22427/NTP-DATA-DTXSID6021957
ARPathway2016 ARPathway2016_646 Phenyl salicylate 118-55-8 DTXSID6021957 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1=C(C=CC=C1)C(=O)OC1=CC=CC=C1 Phenyl salicylate 118-55-8|Phenyl salicylate|2-Hydroxy-benzoic acid phenyl ester|2-Phenoxycarbonylphenol|Benzoic acid, 2-hydroxy-, phenyl ester|BRN 0393969|EINECS 204-259-2|Fenylester kyseliny salicylove|NSC 33406|Phenol salicylate|Phenyl 2-hydroxybenzoate|Phenyl-2-hydroxybenzoate|Phenylsalicylat|salicilato de fenilo|Salicylate de phenyle|SALICYLATE, PHENYL|Salicylic acid phenyl ester|Salicylic acid, phenyl ester|SALICYLSAEURE-PHENYLESTER|salol|Salphenyl|Seesorb 201|Seesorb K 201|UNII-28A37T47QO https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021957 https://doi.org/10.22427/NTP-DATA-DTXSID6021957
ARPathway2016 ARPathway2016_646 Phenyl salicylate 118-55-8 DTXSID6021957 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1=C(C=CC=C1)C(=O)OC1=CC=CC=C1 Phenyl salicylate 118-55-8|Phenyl salicylate|2-Hydroxy-benzoic acid phenyl ester|2-Phenoxycarbonylphenol|Benzoic acid, 2-hydroxy-, phenyl ester|BRN 0393969|EINECS 204-259-2|Fenylester kyseliny salicylove|NSC 33406|Phenol salicylate|Phenyl 2-hydroxybenzoate|Phenyl-2-hydroxybenzoate|Phenylsalicylat|salicilato de fenilo|Salicylate de phenyle|SALICYLATE, PHENYL|Salicylic acid phenyl ester|Salicylic acid, phenyl ester|SALICYLSAEURE-PHENYLESTER|salol|Salphenyl|Seesorb 201|Seesorb K 201|UNII-28A37T47QO https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021957 https://doi.org/10.22427/NTP-DATA-DTXSID6021957
ARPathway2016 ARPathway2016_646 Phenyl salicylate 118-55-8 DTXSID6021957 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(C=CC=C1)C(=O)OC1=CC=CC=C1 Phenyl salicylate 118-55-8|Phenyl salicylate|2-Hydroxy-benzoic acid phenyl ester|2-Phenoxycarbonylphenol|Benzoic acid, 2-hydroxy-, phenyl ester|BRN 0393969|EINECS 204-259-2|Fenylester kyseliny salicylove|NSC 33406|Phenol salicylate|Phenyl 2-hydroxybenzoate|Phenyl-2-hydroxybenzoate|Phenylsalicylat|salicilato de fenilo|Salicylate de phenyle|SALICYLATE, PHENYL|Salicylic acid phenyl ester|Salicylic acid, phenyl ester|SALICYLSAEURE-PHENYLESTER|salol|Salphenyl|Seesorb 201|Seesorb K 201|UNII-28A37T47QO https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021957 https://doi.org/10.22427/NTP-DATA-DTXSID6021957
ERPathway2016 ERPathway2016_709 Phenyl salicylate 118-55-8 DTXSID6021957 ER Pathway Model, Agonist Model Score 0 Unitless OC1=C(C=CC=C1)C(=O)OC1=CC=CC=C1 Phenyl salicylate 118-55-8|Phenyl salicylate|2-Hydroxy-benzoic acid phenyl ester|2-Phenoxycarbonylphenol|Benzoic acid, 2-hydroxy-, phenyl ester|BRN 0393969|EINECS 204-259-2|Fenylester kyseliny salicylove|NSC 33406|Phenol salicylate|Phenyl 2-hydroxybenzoate|Phenyl-2-hydroxybenzoate|Phenylsalicylat|salicilato de fenilo|Salicylate de phenyle|SALICYLATE, PHENYL|Salicylic acid phenyl ester|Salicylic acid, phenyl ester|SALICYLSAEURE-PHENYLESTER|salol|Salphenyl|Seesorb 201|Seesorb K 201|UNII-28A37T47QO https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021957 https://doi.org/10.22427/NTP-DATA-DTXSID6021957
ERPathway2016 ERPathway2016_709 Phenyl salicylate 118-55-8 DTXSID6021957 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C(C=CC=C1)C(=O)OC1=CC=CC=C1 Phenyl salicylate 118-55-8|Phenyl salicylate|2-Hydroxy-benzoic acid phenyl ester|2-Phenoxycarbonylphenol|Benzoic acid, 2-hydroxy-, phenyl ester|BRN 0393969|EINECS 204-259-2|Fenylester kyseliny salicylove|NSC 33406|Phenol salicylate|Phenyl 2-hydroxybenzoate|Phenyl-2-hydroxybenzoate|Phenylsalicylat|salicilato de fenilo|Salicylate de phenyle|SALICYLATE, PHENYL|Salicylic acid phenyl ester|Salicylic acid, phenyl ester|SALICYLSAEURE-PHENYLESTER|salol|Salphenyl|Seesorb 201|Seesorb K 201|UNII-28A37T47QO https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021957 https://doi.org/10.22427/NTP-DATA-DTXSID6021957
ERPathway2016 ERPathway2016_709 Phenyl salicylate 118-55-8 DTXSID6021957 ER Pathway Model, Agonist Call Inactive Unitless OC1=C(C=CC=C1)C(=O)OC1=CC=CC=C1 Phenyl salicylate 118-55-8|Phenyl salicylate|2-Hydroxy-benzoic acid phenyl ester|2-Phenoxycarbonylphenol|Benzoic acid, 2-hydroxy-, phenyl ester|BRN 0393969|EINECS 204-259-2|Fenylester kyseliny salicylove|NSC 33406|Phenol salicylate|Phenyl 2-hydroxybenzoate|Phenyl-2-hydroxybenzoate|Phenylsalicylat|salicilato de fenilo|Salicylate de phenyle|SALICYLATE, PHENYL|Salicylic acid phenyl ester|Salicylic acid, phenyl ester|SALICYLSAEURE-PHENYLESTER|salol|Salphenyl|Seesorb 201|Seesorb K 201|UNII-28A37T47QO https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021957 https://doi.org/10.22427/NTP-DATA-DTXSID6021957
ERPathway2016 ERPathway2016_709 Phenyl salicylate 118-55-8 DTXSID6021957 ER Pathway Model, Antagonist Call Inactive Unitless OC1=C(C=CC=C1)C(=O)OC1=CC=CC=C1 Phenyl salicylate 118-55-8|Phenyl salicylate|2-Hydroxy-benzoic acid phenyl ester|2-Phenoxycarbonylphenol|Benzoic acid, 2-hydroxy-, phenyl ester|BRN 0393969|EINECS 204-259-2|Fenylester kyseliny salicylove|NSC 33406|Phenol salicylate|Phenyl 2-hydroxybenzoate|Phenyl-2-hydroxybenzoate|Phenylsalicylat|salicilato de fenilo|Salicylate de phenyle|SALICYLATE, PHENYL|Salicylic acid phenyl ester|Salicylic acid, phenyl ester|SALICYLSAEURE-PHENYLESTER|salol|Salphenyl|Seesorb 201|Seesorb K 201|UNII-28A37T47QO https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021957 https://doi.org/10.22427/NTP-DATA-DTXSID6021957
ARPathway2016 ARPathway2016_704 Phenylacetaldehyde 122-78-1 DTXSID3021483 1.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=CCC1=CC=CC=C1 Phenylacetaldehyde 122-78-1|Phenylacetaldehyde|.alpha.-toluic aldehyde|1-Oxo-2-phenylethane|2-phenylacetaldehyde|2-Phenylethanal|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde|Acetaldehyde, phenyl-|alpha-phenylacetaldehyde|alpha-tolualdehyde|alpha-Toluic aldehyde|Benzacetaldehyde|Benzenacetaldehyde|Benzeneacetaldehyde|Benzylcarboxaldehyde|EINECS 204-574-5|FEMA No. 2974|fenilacetaldehido|Hyacinthin|NSC 406309|Oxophenylethane|Phenacetaldehyde|Phenyl acetaldehyde|PHENYL-ACETALDEHYDE|Phenylacetaldehyd|Phenylacetic aldehyde|Phenylethanal|UNII-U8J5PLW9MR|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021483
ARPathway2016 ARPathway2016_704 Phenylacetaldehyde 122-78-1 DTXSID3021483 1.0 AR Pathway Model, Agonist Model Score 0 Unitless O=CCC1=CC=CC=C1 Phenylacetaldehyde 122-78-1|Phenylacetaldehyde|.alpha.-toluic aldehyde|1-Oxo-2-phenylethane|2-phenylacetaldehyde|2-Phenylethanal|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde|Acetaldehyde, phenyl-|alpha-phenylacetaldehyde|alpha-tolualdehyde|alpha-Toluic aldehyde|Benzacetaldehyde|Benzenacetaldehyde|Benzeneacetaldehyde|Benzylcarboxaldehyde|EINECS 204-574-5|FEMA No. 2974|fenilacetaldehido|Hyacinthin|NSC 406309|Oxophenylethane|Phenacetaldehyde|Phenyl acetaldehyde|PHENYL-ACETALDEHYDE|Phenylacetaldehyd|Phenylacetic aldehyde|Phenylethanal|UNII-U8J5PLW9MR|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021483
ARPathway2016 ARPathway2016_704 Phenylacetaldehyde 122-78-1 DTXSID3021483 1.0 AR Pathway Model, Agonist Call Inactive Unitless O=CCC1=CC=CC=C1 Phenylacetaldehyde 122-78-1|Phenylacetaldehyde|.alpha.-toluic aldehyde|1-Oxo-2-phenylethane|2-phenylacetaldehyde|2-Phenylethanal|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde|Acetaldehyde, phenyl-|alpha-phenylacetaldehyde|alpha-tolualdehyde|alpha-Toluic aldehyde|Benzacetaldehyde|Benzenacetaldehyde|Benzeneacetaldehyde|Benzylcarboxaldehyde|EINECS 204-574-5|FEMA No. 2974|fenilacetaldehido|Hyacinthin|NSC 406309|Oxophenylethane|Phenacetaldehyde|Phenyl acetaldehyde|PHENYL-ACETALDEHYDE|Phenylacetaldehyd|Phenylacetic aldehyde|Phenylethanal|UNII-U8J5PLW9MR|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021483
ARPathway2016 ARPathway2016_704 Phenylacetaldehyde 122-78-1 DTXSID3021483 1.0 AR Pathway Model, Antagonist Call Inactive Unitless O=CCC1=CC=CC=C1 Phenylacetaldehyde 122-78-1|Phenylacetaldehyde|.alpha.-toluic aldehyde|1-Oxo-2-phenylethane|2-phenylacetaldehyde|2-Phenylethanal|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde|Acetaldehyde, phenyl-|alpha-phenylacetaldehyde|alpha-tolualdehyde|alpha-Toluic aldehyde|Benzacetaldehyde|Benzenacetaldehyde|Benzeneacetaldehyde|Benzylcarboxaldehyde|EINECS 204-574-5|FEMA No. 2974|fenilacetaldehido|Hyacinthin|NSC 406309|Oxophenylethane|Phenacetaldehyde|Phenyl acetaldehyde|PHENYL-ACETALDEHYDE|Phenylacetaldehyd|Phenylacetic aldehyde|Phenylethanal|UNII-U8J5PLW9MR|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021483
ERPathway2016 ERPathway2016_453 Phenylacetaldehyde 122-78-1 DTXSID3021483 ER Pathway Model, Antagonist AC50 41.8013559582354 uM O=CCC1=CC=CC=C1 Phenylacetaldehyde 122-78-1|Phenylacetaldehyde|.alpha.-toluic aldehyde|1-Oxo-2-phenylethane|2-phenylacetaldehyde|2-Phenylethanal|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde|Acetaldehyde, phenyl-|alpha-phenylacetaldehyde|alpha-tolualdehyde|alpha-Toluic aldehyde|Benzacetaldehyde|Benzenacetaldehyde|Benzeneacetaldehyde|Benzylcarboxaldehyde|EINECS 204-574-5|FEMA No. 2974|fenilacetaldehido|Hyacinthin|NSC 406309|Oxophenylethane|Phenacetaldehyde|Phenyl acetaldehyde|PHENYL-ACETALDEHYDE|Phenylacetaldehyd|Phenylacetic aldehyde|Phenylethanal|UNII-U8J5PLW9MR|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021483
ERPathway2016 ERPathway2016_453 Phenylacetaldehyde 122-78-1 DTXSID3021483 ER Pathway Model, Antagonist ACC 42.7882782045874 uM O=CCC1=CC=CC=C1 Phenylacetaldehyde 122-78-1|Phenylacetaldehyde|.alpha.-toluic aldehyde|1-Oxo-2-phenylethane|2-phenylacetaldehyde|2-Phenylethanal|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde|Acetaldehyde, phenyl-|alpha-phenylacetaldehyde|alpha-tolualdehyde|alpha-Toluic aldehyde|Benzacetaldehyde|Benzenacetaldehyde|Benzeneacetaldehyde|Benzylcarboxaldehyde|EINECS 204-574-5|FEMA No. 2974|fenilacetaldehido|Hyacinthin|NSC 406309|Oxophenylethane|Phenacetaldehyde|Phenyl acetaldehyde|PHENYL-ACETALDEHYDE|Phenylacetaldehyd|Phenylacetic aldehyde|Phenylethanal|UNII-U8J5PLW9MR|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021483
ERPathway2016 ERPathway2016_453 Phenylacetaldehyde 122-78-1 DTXSID3021483 ER Pathway Model, Agonist Model Score 0.0042 Unitless O=CCC1=CC=CC=C1 Phenylacetaldehyde 122-78-1|Phenylacetaldehyde|.alpha.-toluic aldehyde|1-Oxo-2-phenylethane|2-phenylacetaldehyde|2-Phenylethanal|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde|Acetaldehyde, phenyl-|alpha-phenylacetaldehyde|alpha-tolualdehyde|alpha-Toluic aldehyde|Benzacetaldehyde|Benzenacetaldehyde|Benzeneacetaldehyde|Benzylcarboxaldehyde|EINECS 204-574-5|FEMA No. 2974|fenilacetaldehido|Hyacinthin|NSC 406309|Oxophenylethane|Phenacetaldehyde|Phenyl acetaldehyde|PHENYL-ACETALDEHYDE|Phenylacetaldehyd|Phenylacetic aldehyde|Phenylethanal|UNII-U8J5PLW9MR|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021483
ERPathway2016 ERPathway2016_453 Phenylacetaldehyde 122-78-1 DTXSID3021483 ER Pathway Model, Antagonist Model Score 0 Unitless O=CCC1=CC=CC=C1 Phenylacetaldehyde 122-78-1|Phenylacetaldehyde|.alpha.-toluic aldehyde|1-Oxo-2-phenylethane|2-phenylacetaldehyde|2-Phenylethanal|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde|Acetaldehyde, phenyl-|alpha-phenylacetaldehyde|alpha-tolualdehyde|alpha-Toluic aldehyde|Benzacetaldehyde|Benzenacetaldehyde|Benzeneacetaldehyde|Benzylcarboxaldehyde|EINECS 204-574-5|FEMA No. 2974|fenilacetaldehido|Hyacinthin|NSC 406309|Oxophenylethane|Phenacetaldehyde|Phenyl acetaldehyde|PHENYL-ACETALDEHYDE|Phenylacetaldehyd|Phenylacetic aldehyde|Phenylethanal|UNII-U8J5PLW9MR|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021483
ERPathway2016 ERPathway2016_453 Phenylacetaldehyde 122-78-1 DTXSID3021483 ER Pathway Model, Agonist Call Inactive Unitless O=CCC1=CC=CC=C1 Phenylacetaldehyde 122-78-1|Phenylacetaldehyde|.alpha.-toluic aldehyde|1-Oxo-2-phenylethane|2-phenylacetaldehyde|2-Phenylethanal|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde|Acetaldehyde, phenyl-|alpha-phenylacetaldehyde|alpha-tolualdehyde|alpha-Toluic aldehyde|Benzacetaldehyde|Benzenacetaldehyde|Benzeneacetaldehyde|Benzylcarboxaldehyde|EINECS 204-574-5|FEMA No. 2974|fenilacetaldehido|Hyacinthin|NSC 406309|Oxophenylethane|Phenacetaldehyde|Phenyl acetaldehyde|PHENYL-ACETALDEHYDE|Phenylacetaldehyd|Phenylacetic aldehyde|Phenylethanal|UNII-U8J5PLW9MR|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021483
ERPathway2016 ERPathway2016_453 Phenylacetaldehyde 122-78-1 DTXSID3021483 ER Pathway Model, Antagonist Call Active Unitless O=CCC1=CC=CC=C1 Phenylacetaldehyde 122-78-1|Phenylacetaldehyde|.alpha.-toluic aldehyde|1-Oxo-2-phenylethane|2-phenylacetaldehyde|2-Phenylethanal|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde|Acetaldehyde, phenyl-|alpha-phenylacetaldehyde|alpha-tolualdehyde|alpha-Toluic aldehyde|Benzacetaldehyde|Benzenacetaldehyde|Benzeneacetaldehyde|Benzylcarboxaldehyde|EINECS 204-574-5|FEMA No. 2974|fenilacetaldehido|Hyacinthin|NSC 406309|Oxophenylethane|Phenacetaldehyde|Phenyl acetaldehyde|PHENYL-ACETALDEHYDE|Phenylacetaldehyd|Phenylacetic aldehyde|Phenylethanal|UNII-U8J5PLW9MR|a-Phenylacetaldehyde|a-Tolualdehyde|a-Toluic aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021483
ARPathway2016 ARPathway2016_236 Phenylmercuric acetate 62-38-4 DTXSID7021150 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 1.406941567 uM CC(=O)O[Hg]C1=CC=CC=C1 Phenylmercuric acetate 62-38-4|Phenylmercuric acetate|(Acetato-O)phenylmercury|(Acetato)phenylmercury|(Acetoxymercuri)benzene|Acetate de phenylmercure|Acetate phenylmercurique|ACETATE, PHENYLMERCURIC|acetato de fenilmercurio|Acetatophenylmercury|Acetic acid, phenylmercury deriv.|Acetic acid, phenylmercury(II) salt|Acetoxyphenylmercury|Agrosan D|Agrosan GN 5|Algimycin 200|Anticon|Antimucin WBR|Antimucin WDR|Benzene, (acetoxymercuri)-|Benzene, (acetoxymercurio)-|Caswell No. 656|Cekusil|Ceresol|Contra Creme|Dyanacide|EINECS 200-532-5|EPA Pesticide Chemical Code 066003|Fenylmercuriacetat|Fenylmerkuriacetat|Fungicide R|Fungitox OR|Gallotox|Hong nien|Hostaquik|Intercide 60|Intercide PMA 18|Kwiksan|Liquiphene|Lorophyn|Meracen|Mercron|Mercuriphenyl acetate|Mercuron|Mercury, (acetato-.kappa.O)phenyl-|Mercury, (acetato-O)phenyl-|Mercury, (acetato-kO)phenyl-|Mercury, (acetato)phenyl-|Mercury, acetoxyphenyl-|Mercury(II) acetate, phenyl-|Mergal A 25|Mersolite|Mersolite 8|Mersolite D|Neantina|Norforms|NSC 35670|NSC 61321|Nuodex PMA 18|Nylmerate|Octan fenylrtutnaty|Pamisan|Pa|112415-59-5|1337-06-0|61840-45-7|64684-45-3|8013-47-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021150 https://doi.org/10.22427/NTP-DATA-DTXSID7021150
ARPathway2016 ARPathway2016_236 Phenylmercuric acetate 62-38-4 DTXSID7021150 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 1.84976530320359 uM CC(=O)O[Hg]C1=CC=CC=C1 Phenylmercuric acetate 62-38-4|Phenylmercuric acetate|(Acetato-O)phenylmercury|(Acetato)phenylmercury|(Acetoxymercuri)benzene|Acetate de phenylmercure|Acetate phenylmercurique|ACETATE, PHENYLMERCURIC|acetato de fenilmercurio|Acetatophenylmercury|Acetic acid, phenylmercury deriv.|Acetic acid, phenylmercury(II) salt|Acetoxyphenylmercury|Agrosan D|Agrosan GN 5|Algimycin 200|Anticon|Antimucin WBR|Antimucin WDR|Benzene, (acetoxymercuri)-|Benzene, (acetoxymercurio)-|Caswell No. 656|Cekusil|Ceresol|Contra Creme|Dyanacide|EINECS 200-532-5|EPA Pesticide Chemical Code 066003|Fenylmercuriacetat|Fenylmerkuriacetat|Fungicide R|Fungitox OR|Gallotox|Hong nien|Hostaquik|Intercide 60|Intercide PMA 18|Kwiksan|Liquiphene|Lorophyn|Meracen|Mercron|Mercuriphenyl acetate|Mercuron|Mercury, (acetato-.kappa.O)phenyl-|Mercury, (acetato-O)phenyl-|Mercury, (acetato-kO)phenyl-|Mercury, (acetato)phenyl-|Mercury, acetoxyphenyl-|Mercury(II) acetate, phenyl-|Mergal A 25|Mersolite|Mersolite 8|Mersolite D|Neantina|Norforms|NSC 35670|NSC 61321|Nuodex PMA 18|Nylmerate|Octan fenylrtutnaty|Pamisan|Pa|112415-59-5|1337-06-0|61840-45-7|64684-45-3|8013-47-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021150 https://doi.org/10.22427/NTP-DATA-DTXSID7021150
ARPathway2016 ARPathway2016_236 Phenylmercuric acetate 62-38-4 DTXSID7021150 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.511 Unitless CC(=O)O[Hg]C1=CC=CC=C1 Phenylmercuric acetate 62-38-4|Phenylmercuric acetate|(Acetato-O)phenylmercury|(Acetato)phenylmercury|(Acetoxymercuri)benzene|Acetate de phenylmercure|Acetate phenylmercurique|ACETATE, PHENYLMERCURIC|acetato de fenilmercurio|Acetatophenylmercury|Acetic acid, phenylmercury deriv.|Acetic acid, phenylmercury(II) salt|Acetoxyphenylmercury|Agrosan D|Agrosan GN 5|Algimycin 200|Anticon|Antimucin WBR|Antimucin WDR|Benzene, (acetoxymercuri)-|Benzene, (acetoxymercurio)-|Caswell No. 656|Cekusil|Ceresol|Contra Creme|Dyanacide|EINECS 200-532-5|EPA Pesticide Chemical Code 066003|Fenylmercuriacetat|Fenylmerkuriacetat|Fungicide R|Fungitox OR|Gallotox|Hong nien|Hostaquik|Intercide 60|Intercide PMA 18|Kwiksan|Liquiphene|Lorophyn|Meracen|Mercron|Mercuriphenyl acetate|Mercuron|Mercury, (acetato-.kappa.O)phenyl-|Mercury, (acetato-O)phenyl-|Mercury, (acetato-kO)phenyl-|Mercury, (acetato)phenyl-|Mercury, acetoxyphenyl-|Mercury(II) acetate, phenyl-|Mergal A 25|Mersolite|Mersolite 8|Mersolite D|Neantina|Norforms|NSC 35670|NSC 61321|Nuodex PMA 18|Nylmerate|Octan fenylrtutnaty|Pamisan|Pa|112415-59-5|1337-06-0|61840-45-7|64684-45-3|8013-47-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021150 https://doi.org/10.22427/NTP-DATA-DTXSID7021150
ARPathway2016 ARPathway2016_236 Phenylmercuric acetate 62-38-4 DTXSID7021150 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)O[Hg]C1=CC=CC=C1 Phenylmercuric acetate 62-38-4|Phenylmercuric acetate|(Acetato-O)phenylmercury|(Acetato)phenylmercury|(Acetoxymercuri)benzene|Acetate de phenylmercure|Acetate phenylmercurique|ACETATE, PHENYLMERCURIC|acetato de fenilmercurio|Acetatophenylmercury|Acetic acid, phenylmercury deriv.|Acetic acid, phenylmercury(II) salt|Acetoxyphenylmercury|Agrosan D|Agrosan GN 5|Algimycin 200|Anticon|Antimucin WBR|Antimucin WDR|Benzene, (acetoxymercuri)-|Benzene, (acetoxymercurio)-|Caswell No. 656|Cekusil|Ceresol|Contra Creme|Dyanacide|EINECS 200-532-5|EPA Pesticide Chemical Code 066003|Fenylmercuriacetat|Fenylmerkuriacetat|Fungicide R|Fungitox OR|Gallotox|Hong nien|Hostaquik|Intercide 60|Intercide PMA 18|Kwiksan|Liquiphene|Lorophyn|Meracen|Mercron|Mercuriphenyl acetate|Mercuron|Mercury, (acetato-.kappa.O)phenyl-|Mercury, (acetato-O)phenyl-|Mercury, (acetato-kO)phenyl-|Mercury, (acetato)phenyl-|Mercury, acetoxyphenyl-|Mercury(II) acetate, phenyl-|Mergal A 25|Mersolite|Mersolite 8|Mersolite D|Neantina|Norforms|NSC 35670|NSC 61321|Nuodex PMA 18|Nylmerate|Octan fenylrtutnaty|Pamisan|Pa|112415-59-5|1337-06-0|61840-45-7|64684-45-3|8013-47-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021150 https://doi.org/10.22427/NTP-DATA-DTXSID7021150
ARPathway2016 ARPathway2016_236 Phenylmercuric acetate 62-38-4 DTXSID7021150 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(=O)O[Hg]C1=CC=CC=C1 Phenylmercuric acetate 62-38-4|Phenylmercuric acetate|(Acetato-O)phenylmercury|(Acetato)phenylmercury|(Acetoxymercuri)benzene|Acetate de phenylmercure|Acetate phenylmercurique|ACETATE, PHENYLMERCURIC|acetato de fenilmercurio|Acetatophenylmercury|Acetic acid, phenylmercury deriv.|Acetic acid, phenylmercury(II) salt|Acetoxyphenylmercury|Agrosan D|Agrosan GN 5|Algimycin 200|Anticon|Antimucin WBR|Antimucin WDR|Benzene, (acetoxymercuri)-|Benzene, (acetoxymercurio)-|Caswell No. 656|Cekusil|Ceresol|Contra Creme|Dyanacide|EINECS 200-532-5|EPA Pesticide Chemical Code 066003|Fenylmercuriacetat|Fenylmerkuriacetat|Fungicide R|Fungitox OR|Gallotox|Hong nien|Hostaquik|Intercide 60|Intercide PMA 18|Kwiksan|Liquiphene|Lorophyn|Meracen|Mercron|Mercuriphenyl acetate|Mercuron|Mercury, (acetato-.kappa.O)phenyl-|Mercury, (acetato-O)phenyl-|Mercury, (acetato-kO)phenyl-|Mercury, (acetato)phenyl-|Mercury, acetoxyphenyl-|Mercury(II) acetate, phenyl-|Mergal A 25|Mersolite|Mersolite 8|Mersolite D|Neantina|Norforms|NSC 35670|NSC 61321|Nuodex PMA 18|Nylmerate|Octan fenylrtutnaty|Pamisan|Pa|112415-59-5|1337-06-0|61840-45-7|64684-45-3|8013-47-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021150 https://doi.org/10.22427/NTP-DATA-DTXSID7021150
ARPathway2016 ARPathway2016_236 Phenylmercuric acetate 62-38-4 DTXSID7021150 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)O[Hg]C1=CC=CC=C1 Phenylmercuric acetate 62-38-4|Phenylmercuric acetate|(Acetato-O)phenylmercury|(Acetato)phenylmercury|(Acetoxymercuri)benzene|Acetate de phenylmercure|Acetate phenylmercurique|ACETATE, PHENYLMERCURIC|acetato de fenilmercurio|Acetatophenylmercury|Acetic acid, phenylmercury deriv.|Acetic acid, phenylmercury(II) salt|Acetoxyphenylmercury|Agrosan D|Agrosan GN 5|Algimycin 200|Anticon|Antimucin WBR|Antimucin WDR|Benzene, (acetoxymercuri)-|Benzene, (acetoxymercurio)-|Caswell No. 656|Cekusil|Ceresol|Contra Creme|Dyanacide|EINECS 200-532-5|EPA Pesticide Chemical Code 066003|Fenylmercuriacetat|Fenylmerkuriacetat|Fungicide R|Fungitox OR|Gallotox|Hong nien|Hostaquik|Intercide 60|Intercide PMA 18|Kwiksan|Liquiphene|Lorophyn|Meracen|Mercron|Mercuriphenyl acetate|Mercuron|Mercury, (acetato-.kappa.O)phenyl-|Mercury, (acetato-O)phenyl-|Mercury, (acetato-kO)phenyl-|Mercury, (acetato)phenyl-|Mercury, acetoxyphenyl-|Mercury(II) acetate, phenyl-|Mergal A 25|Mersolite|Mersolite 8|Mersolite D|Neantina|Norforms|NSC 35670|NSC 61321|Nuodex PMA 18|Nylmerate|Octan fenylrtutnaty|Pamisan|Pa|112415-59-5|1337-06-0|61840-45-7|64684-45-3|8013-47-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021150 https://doi.org/10.22427/NTP-DATA-DTXSID7021150
ERPathway2016 ERPathway2016_88 Phenylmercuric acetate 62-38-4 DTXSID7021150 Antagonist ER Pathway Model, Agonist AC50 5.20398983821921 uM CC(=O)O[Hg]C1=CC=CC=C1 Phenylmercuric acetate 62-38-4|Phenylmercuric acetate|(Acetato-O)phenylmercury|(Acetato)phenylmercury|(Acetoxymercuri)benzene|Acetate de phenylmercure|Acetate phenylmercurique|ACETATE, PHENYLMERCURIC|acetato de fenilmercurio|Acetatophenylmercury|Acetic acid, phenylmercury deriv.|Acetic acid, phenylmercury(II) salt|Acetoxyphenylmercury|Agrosan D|Agrosan GN 5|Algimycin 200|Anticon|Antimucin WBR|Antimucin WDR|Benzene, (acetoxymercuri)-|Benzene, (acetoxymercurio)-|Caswell No. 656|Cekusil|Ceresol|Contra Creme|Dyanacide|EINECS 200-532-5|EPA Pesticide Chemical Code 066003|Fenylmercuriacetat|Fenylmerkuriacetat|Fungicide R|Fungitox OR|Gallotox|Hong nien|Hostaquik|Intercide 60|Intercide PMA 18|Kwiksan|Liquiphene|Lorophyn|Meracen|Mercron|Mercuriphenyl acetate|Mercuron|Mercury, (acetato-.kappa.O)phenyl-|Mercury, (acetato-O)phenyl-|Mercury, (acetato-kO)phenyl-|Mercury, (acetato)phenyl-|Mercury, acetoxyphenyl-|Mercury(II) acetate, phenyl-|Mergal A 25|Mersolite|Mersolite 8|Mersolite D|Neantina|Norforms|NSC 35670|NSC 61321|Nuodex PMA 18|Nylmerate|Octan fenylrtutnaty|Pamisan|Pa|112415-59-5|1337-06-0|61840-45-7|64684-45-3|8013-47-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021150 https://doi.org/10.22427/NTP-DATA-DTXSID7021150
ERPathway2016 ERPathway2016_88 Phenylmercuric acetate 62-38-4 DTXSID7021150 Antagonist ER Pathway Model, Agonist ACC 4.62577727787272 uM CC(=O)O[Hg]C1=CC=CC=C1 Phenylmercuric acetate 62-38-4|Phenylmercuric acetate|(Acetato-O)phenylmercury|(Acetato)phenylmercury|(Acetoxymercuri)benzene|Acetate de phenylmercure|Acetate phenylmercurique|ACETATE, PHENYLMERCURIC|acetato de fenilmercurio|Acetatophenylmercury|Acetic acid, phenylmercury deriv.|Acetic acid, phenylmercury(II) salt|Acetoxyphenylmercury|Agrosan D|Agrosan GN 5|Algimycin 200|Anticon|Antimucin WBR|Antimucin WDR|Benzene, (acetoxymercuri)-|Benzene, (acetoxymercurio)-|Caswell No. 656|Cekusil|Ceresol|Contra Creme|Dyanacide|EINECS 200-532-5|EPA Pesticide Chemical Code 066003|Fenylmercuriacetat|Fenylmerkuriacetat|Fungicide R|Fungitox OR|Gallotox|Hong nien|Hostaquik|Intercide 60|Intercide PMA 18|Kwiksan|Liquiphene|Lorophyn|Meracen|Mercron|Mercuriphenyl acetate|Mercuron|Mercury, (acetato-.kappa.O)phenyl-|Mercury, (acetato-O)phenyl-|Mercury, (acetato-kO)phenyl-|Mercury, (acetato)phenyl-|Mercury, acetoxyphenyl-|Mercury(II) acetate, phenyl-|Mergal A 25|Mersolite|Mersolite 8|Mersolite D|Neantina|Norforms|NSC 35670|NSC 61321|Nuodex PMA 18|Nylmerate|Octan fenylrtutnaty|Pamisan|Pa|112415-59-5|1337-06-0|61840-45-7|64684-45-3|8013-47-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021150 https://doi.org/10.22427/NTP-DATA-DTXSID7021150
ERPathway2016 ERPathway2016_88 Phenylmercuric acetate 62-38-4 DTXSID7021150 Antagonist ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)O[Hg]C1=CC=CC=C1 Phenylmercuric acetate 62-38-4|Phenylmercuric acetate|(Acetato-O)phenylmercury|(Acetato)phenylmercury|(Acetoxymercuri)benzene|Acetate de phenylmercure|Acetate phenylmercurique|ACETATE, PHENYLMERCURIC|acetato de fenilmercurio|Acetatophenylmercury|Acetic acid, phenylmercury deriv.|Acetic acid, phenylmercury(II) salt|Acetoxyphenylmercury|Agrosan D|Agrosan GN 5|Algimycin 200|Anticon|Antimucin WBR|Antimucin WDR|Benzene, (acetoxymercuri)-|Benzene, (acetoxymercurio)-|Caswell No. 656|Cekusil|Ceresol|Contra Creme|Dyanacide|EINECS 200-532-5|EPA Pesticide Chemical Code 066003|Fenylmercuriacetat|Fenylmerkuriacetat|Fungicide R|Fungitox OR|Gallotox|Hong nien|Hostaquik|Intercide 60|Intercide PMA 18|Kwiksan|Liquiphene|Lorophyn|Meracen|Mercron|Mercuriphenyl acetate|Mercuron|Mercury, (acetato-.kappa.O)phenyl-|Mercury, (acetato-O)phenyl-|Mercury, (acetato-kO)phenyl-|Mercury, (acetato)phenyl-|Mercury, acetoxyphenyl-|Mercury(II) acetate, phenyl-|Mergal A 25|Mersolite|Mersolite 8|Mersolite D|Neantina|Norforms|NSC 35670|NSC 61321|Nuodex PMA 18|Nylmerate|Octan fenylrtutnaty|Pamisan|Pa|112415-59-5|1337-06-0|61840-45-7|64684-45-3|8013-47-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021150 https://doi.org/10.22427/NTP-DATA-DTXSID7021150
ERPathway2016 ERPathway2016_88 Phenylmercuric acetate 62-38-4 DTXSID7021150 Antagonist ER Pathway Model, Antagonist Model Score 0.164 Unitless CC(=O)O[Hg]C1=CC=CC=C1 Phenylmercuric acetate 62-38-4|Phenylmercuric acetate|(Acetato-O)phenylmercury|(Acetato)phenylmercury|(Acetoxymercuri)benzene|Acetate de phenylmercure|Acetate phenylmercurique|ACETATE, PHENYLMERCURIC|acetato de fenilmercurio|Acetatophenylmercury|Acetic acid, phenylmercury deriv.|Acetic acid, phenylmercury(II) salt|Acetoxyphenylmercury|Agrosan D|Agrosan GN 5|Algimycin 200|Anticon|Antimucin WBR|Antimucin WDR|Benzene, (acetoxymercuri)-|Benzene, (acetoxymercurio)-|Caswell No. 656|Cekusil|Ceresol|Contra Creme|Dyanacide|EINECS 200-532-5|EPA Pesticide Chemical Code 066003|Fenylmercuriacetat|Fenylmerkuriacetat|Fungicide R|Fungitox OR|Gallotox|Hong nien|Hostaquik|Intercide 60|Intercide PMA 18|Kwiksan|Liquiphene|Lorophyn|Meracen|Mercron|Mercuriphenyl acetate|Mercuron|Mercury, (acetato-.kappa.O)phenyl-|Mercury, (acetato-O)phenyl-|Mercury, (acetato-kO)phenyl-|Mercury, (acetato)phenyl-|Mercury, acetoxyphenyl-|Mercury(II) acetate, phenyl-|Mergal A 25|Mersolite|Mersolite 8|Mersolite D|Neantina|Norforms|NSC 35670|NSC 61321|Nuodex PMA 18|Nylmerate|Octan fenylrtutnaty|Pamisan|Pa|112415-59-5|1337-06-0|61840-45-7|64684-45-3|8013-47-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021150 https://doi.org/10.22427/NTP-DATA-DTXSID7021150
ERPathway2016 ERPathway2016_88 Phenylmercuric acetate 62-38-4 DTXSID7021150 Antagonist ER Pathway Model, Agonist Call Active Unitless CC(=O)O[Hg]C1=CC=CC=C1 Phenylmercuric acetate 62-38-4|Phenylmercuric acetate|(Acetato-O)phenylmercury|(Acetato)phenylmercury|(Acetoxymercuri)benzene|Acetate de phenylmercure|Acetate phenylmercurique|ACETATE, PHENYLMERCURIC|acetato de fenilmercurio|Acetatophenylmercury|Acetic acid, phenylmercury deriv.|Acetic acid, phenylmercury(II) salt|Acetoxyphenylmercury|Agrosan D|Agrosan GN 5|Algimycin 200|Anticon|Antimucin WBR|Antimucin WDR|Benzene, (acetoxymercuri)-|Benzene, (acetoxymercurio)-|Caswell No. 656|Cekusil|Ceresol|Contra Creme|Dyanacide|EINECS 200-532-5|EPA Pesticide Chemical Code 066003|Fenylmercuriacetat|Fenylmerkuriacetat|Fungicide R|Fungitox OR|Gallotox|Hong nien|Hostaquik|Intercide 60|Intercide PMA 18|Kwiksan|Liquiphene|Lorophyn|Meracen|Mercron|Mercuriphenyl acetate|Mercuron|Mercury, (acetato-.kappa.O)phenyl-|Mercury, (acetato-O)phenyl-|Mercury, (acetato-kO)phenyl-|Mercury, (acetato)phenyl-|Mercury, acetoxyphenyl-|Mercury(II) acetate, phenyl-|Mergal A 25|Mersolite|Mersolite 8|Mersolite D|Neantina|Norforms|NSC 35670|NSC 61321|Nuodex PMA 18|Nylmerate|Octan fenylrtutnaty|Pamisan|Pa|112415-59-5|1337-06-0|61840-45-7|64684-45-3|8013-47-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021150 https://doi.org/10.22427/NTP-DATA-DTXSID7021150
ERPathway2016 ERPathway2016_88 Phenylmercuric acetate 62-38-4 DTXSID7021150 Antagonist ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)O[Hg]C1=CC=CC=C1 Phenylmercuric acetate 62-38-4|Phenylmercuric acetate|(Acetato-O)phenylmercury|(Acetato)phenylmercury|(Acetoxymercuri)benzene|Acetate de phenylmercure|Acetate phenylmercurique|ACETATE, PHENYLMERCURIC|acetato de fenilmercurio|Acetatophenylmercury|Acetic acid, phenylmercury deriv.|Acetic acid, phenylmercury(II) salt|Acetoxyphenylmercury|Agrosan D|Agrosan GN 5|Algimycin 200|Anticon|Antimucin WBR|Antimucin WDR|Benzene, (acetoxymercuri)-|Benzene, (acetoxymercurio)-|Caswell No. 656|Cekusil|Ceresol|Contra Creme|Dyanacide|EINECS 200-532-5|EPA Pesticide Chemical Code 066003|Fenylmercuriacetat|Fenylmerkuriacetat|Fungicide R|Fungitox OR|Gallotox|Hong nien|Hostaquik|Intercide 60|Intercide PMA 18|Kwiksan|Liquiphene|Lorophyn|Meracen|Mercron|Mercuriphenyl acetate|Mercuron|Mercury, (acetato-.kappa.O)phenyl-|Mercury, (acetato-O)phenyl-|Mercury, (acetato-kO)phenyl-|Mercury, (acetato)phenyl-|Mercury, acetoxyphenyl-|Mercury(II) acetate, phenyl-|Mergal A 25|Mersolite|Mersolite 8|Mersolite D|Neantina|Norforms|NSC 35670|NSC 61321|Nuodex PMA 18|Nylmerate|Octan fenylrtutnaty|Pamisan|Pa|112415-59-5|1337-06-0|61840-45-7|64684-45-3|8013-47-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021150 https://doi.org/10.22427/NTP-DATA-DTXSID7021150
ARPathway2016 ARPathway2016_942 Phenylparaben 17696-62-7 DTXSID4047882 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)C(=O)OC1=CC=CC=C1 Phenylparaben 17696-62-7|Phenylparaben|EINECS 241-698-9|UNII-B15A4L4Y1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047882
ARPathway2016 ARPathway2016_942 Phenylparaben 17696-62-7 DTXSID4047882 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=C(C=C1)C(=O)OC1=CC=CC=C1 Phenylparaben 17696-62-7|Phenylparaben|EINECS 241-698-9|UNII-B15A4L4Y1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047882
ARPathway2016 ARPathway2016_942 Phenylparaben 17696-62-7 DTXSID4047882 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)C(=O)OC1=CC=CC=C1 Phenylparaben 17696-62-7|Phenylparaben|EINECS 241-698-9|UNII-B15A4L4Y1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047882
ARPathway2016 ARPathway2016_942 Phenylparaben 17696-62-7 DTXSID4047882 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=C(C=C1)C(=O)OC1=CC=CC=C1 Phenylparaben 17696-62-7|Phenylparaben|EINECS 241-698-9|UNII-B15A4L4Y1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047882
ERPathway2016 ERPathway2016_183 Phenylparaben 17696-62-7 DTXSID4047882 Agonist ER Pathway Model, Antagonist AC50 5.68358419534024 uM OC1=CC=C(C=C1)C(=O)OC1=CC=CC=C1 Phenylparaben 17696-62-7|Phenylparaben|EINECS 241-698-9|UNII-B15A4L4Y1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047882
ERPathway2016 ERPathway2016_183 Phenylparaben 17696-62-7 DTXSID4047882 Agonist ER Pathway Model, Antagonist ACC 1.6167549548684 uM OC1=CC=C(C=C1)C(=O)OC1=CC=CC=C1 Phenylparaben 17696-62-7|Phenylparaben|EINECS 241-698-9|UNII-B15A4L4Y1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047882
ERPathway2016 ERPathway2016_183 Phenylparaben 17696-62-7 DTXSID4047882 Agonist ER Pathway Model, Agonist Model Score 0.275 Unitless OC1=CC=C(C=C1)C(=O)OC1=CC=CC=C1 Phenylparaben 17696-62-7|Phenylparaben|EINECS 241-698-9|UNII-B15A4L4Y1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047882
ERPathway2016 ERPathway2016_183 Phenylparaben 17696-62-7 DTXSID4047882 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=C(C=C1)C(=O)OC1=CC=CC=C1 Phenylparaben 17696-62-7|Phenylparaben|EINECS 241-698-9|UNII-B15A4L4Y1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047882
ERPathway2016 ERPathway2016_183 Phenylparaben 17696-62-7 DTXSID4047882 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=C(C=C1)C(=O)OC1=CC=CC=C1 Phenylparaben 17696-62-7|Phenylparaben|EINECS 241-698-9|UNII-B15A4L4Y1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047882
ERPathway2016 ERPathway2016_183 Phenylparaben 17696-62-7 DTXSID4047882 Agonist ER Pathway Model, Antagonist Call Active Unitless OC1=CC=C(C=C1)C(=O)OC1=CC=CC=C1 Phenylparaben 17696-62-7|Phenylparaben|EINECS 241-698-9|UNII-B15A4L4Y1J https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047882
ARPathway2016 ARPathway2016_1118 Phorate 298-02-2 DTXSID4032459 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)SCSCC Phorate 298-02-2|Phorate|Agrimet|American cyanamid 3,911|American Cyanamid 3911|BAS 225 I|BRN 1708517|Caswell No. 660|CL 35,024|Dithiophosphate de O,O-diethyle et d'ethylthiomethyle|EINECS 206-052-2|EPA Pesticide Chemical Code 057201|Experimental Insecticide 3911|Granutox|Methanethiol, (ethylthio)-, S-ester with O,O-diethyl phosphorodithioate|Methanethiol, (ethylthio)-, S-ester with O,O-diethylphosphorodithioate|O,O-Diaethyl-S-(aethylthio-methyl)-dithiophosphat|O,O-Diethyl ethylthiomethyl phosphorodithioate|O,O-Diethyl S-(ethylthio)methyl phosphorodithioate|O,O-diethyl S-[(ethylsulfanyl)methyl] dithiophosphate|O,O-Diethyl S-[(ethylthio)methyl] phosphorodithioate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl dithiophosphate|O,O-Diethyl S-ethylthiomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl phosphorodithioate|O,O-Diethyl S-ethylthiomethyl thiothionophosphate|O,O-Diethyl-S-((ethylthio)methyl)phosphorodithioate|O,O-Diethyl-S-(ethylthio-methyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032459
ARPathway2016 ARPathway2016_1118 Phorate 298-02-2 DTXSID4032459 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=S)(OCC)SCSCC Phorate 298-02-2|Phorate|Agrimet|American cyanamid 3,911|American Cyanamid 3911|BAS 225 I|BRN 1708517|Caswell No. 660|CL 35,024|Dithiophosphate de O,O-diethyle et d'ethylthiomethyle|EINECS 206-052-2|EPA Pesticide Chemical Code 057201|Experimental Insecticide 3911|Granutox|Methanethiol, (ethylthio)-, S-ester with O,O-diethyl phosphorodithioate|Methanethiol, (ethylthio)-, S-ester with O,O-diethylphosphorodithioate|O,O-Diaethyl-S-(aethylthio-methyl)-dithiophosphat|O,O-Diethyl ethylthiomethyl phosphorodithioate|O,O-Diethyl S-(ethylthio)methyl phosphorodithioate|O,O-diethyl S-[(ethylsulfanyl)methyl] dithiophosphate|O,O-Diethyl S-[(ethylthio)methyl] phosphorodithioate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl dithiophosphate|O,O-Diethyl S-ethylthiomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl phosphorodithioate|O,O-Diethyl S-ethylthiomethyl thiothionophosphate|O,O-Diethyl-S-((ethylthio)methyl)phosphorodithioate|O,O-Diethyl-S-(ethylthio-methyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032459
ARPathway2016 ARPathway2016_1118 Phorate 298-02-2 DTXSID4032459 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)SCSCC Phorate 298-02-2|Phorate|Agrimet|American cyanamid 3,911|American Cyanamid 3911|BAS 225 I|BRN 1708517|Caswell No. 660|CL 35,024|Dithiophosphate de O,O-diethyle et d'ethylthiomethyle|EINECS 206-052-2|EPA Pesticide Chemical Code 057201|Experimental Insecticide 3911|Granutox|Methanethiol, (ethylthio)-, S-ester with O,O-diethyl phosphorodithioate|Methanethiol, (ethylthio)-, S-ester with O,O-diethylphosphorodithioate|O,O-Diaethyl-S-(aethylthio-methyl)-dithiophosphat|O,O-Diethyl ethylthiomethyl phosphorodithioate|O,O-Diethyl S-(ethylthio)methyl phosphorodithioate|O,O-diethyl S-[(ethylsulfanyl)methyl] dithiophosphate|O,O-Diethyl S-[(ethylthio)methyl] phosphorodithioate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl dithiophosphate|O,O-Diethyl S-ethylthiomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl phosphorodithioate|O,O-Diethyl S-ethylthiomethyl thiothionophosphate|O,O-Diethyl-S-((ethylthio)methyl)phosphorodithioate|O,O-Diethyl-S-(ethylthio-methyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032459
ARPathway2016 ARPathway2016_1118 Phorate 298-02-2 DTXSID4032459 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OCC)SCSCC Phorate 298-02-2|Phorate|Agrimet|American cyanamid 3,911|American Cyanamid 3911|BAS 225 I|BRN 1708517|Caswell No. 660|CL 35,024|Dithiophosphate de O,O-diethyle et d'ethylthiomethyle|EINECS 206-052-2|EPA Pesticide Chemical Code 057201|Experimental Insecticide 3911|Granutox|Methanethiol, (ethylthio)-, S-ester with O,O-diethyl phosphorodithioate|Methanethiol, (ethylthio)-, S-ester with O,O-diethylphosphorodithioate|O,O-Diaethyl-S-(aethylthio-methyl)-dithiophosphat|O,O-Diethyl ethylthiomethyl phosphorodithioate|O,O-Diethyl S-(ethylthio)methyl phosphorodithioate|O,O-diethyl S-[(ethylsulfanyl)methyl] dithiophosphate|O,O-Diethyl S-[(ethylthio)methyl] phosphorodithioate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl dithiophosphate|O,O-Diethyl S-ethylthiomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl phosphorodithioate|O,O-Diethyl S-ethylthiomethyl thiothionophosphate|O,O-Diethyl-S-((ethylthio)methyl)phosphorodithioate|O,O-Diethyl-S-(ethylthio-methyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032459
ERPathway2016 ERPathway2016_351 Phorate 298-02-2 DTXSID4032459 ER Pathway Model, Antagonist AC50 34.4432400071116 uM CCOP(=S)(OCC)SCSCC Phorate 298-02-2|Phorate|Agrimet|American cyanamid 3,911|American Cyanamid 3911|BAS 225 I|BRN 1708517|Caswell No. 660|CL 35,024|Dithiophosphate de O,O-diethyle et d'ethylthiomethyle|EINECS 206-052-2|EPA Pesticide Chemical Code 057201|Experimental Insecticide 3911|Granutox|Methanethiol, (ethylthio)-, S-ester with O,O-diethyl phosphorodithioate|Methanethiol, (ethylthio)-, S-ester with O,O-diethylphosphorodithioate|O,O-Diaethyl-S-(aethylthio-methyl)-dithiophosphat|O,O-Diethyl ethylthiomethyl phosphorodithioate|O,O-Diethyl S-(ethylthio)methyl phosphorodithioate|O,O-diethyl S-[(ethylsulfanyl)methyl] dithiophosphate|O,O-Diethyl S-[(ethylthio)methyl] phosphorodithioate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl dithiophosphate|O,O-Diethyl S-ethylthiomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl phosphorodithioate|O,O-Diethyl S-ethylthiomethyl thiothionophosphate|O,O-Diethyl-S-((ethylthio)methyl)phosphorodithioate|O,O-Diethyl-S-(ethylthio-methyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032459
ERPathway2016 ERPathway2016_351 Phorate 298-02-2 DTXSID4032459 ER Pathway Model, Antagonist ACC 22.5607489495641 uM CCOP(=S)(OCC)SCSCC Phorate 298-02-2|Phorate|Agrimet|American cyanamid 3,911|American Cyanamid 3911|BAS 225 I|BRN 1708517|Caswell No. 660|CL 35,024|Dithiophosphate de O,O-diethyle et d'ethylthiomethyle|EINECS 206-052-2|EPA Pesticide Chemical Code 057201|Experimental Insecticide 3911|Granutox|Methanethiol, (ethylthio)-, S-ester with O,O-diethyl phosphorodithioate|Methanethiol, (ethylthio)-, S-ester with O,O-diethylphosphorodithioate|O,O-Diaethyl-S-(aethylthio-methyl)-dithiophosphat|O,O-Diethyl ethylthiomethyl phosphorodithioate|O,O-Diethyl S-(ethylthio)methyl phosphorodithioate|O,O-diethyl S-[(ethylsulfanyl)methyl] dithiophosphate|O,O-Diethyl S-[(ethylthio)methyl] phosphorodithioate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl dithiophosphate|O,O-Diethyl S-ethylthiomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl phosphorodithioate|O,O-Diethyl S-ethylthiomethyl thiothionophosphate|O,O-Diethyl-S-((ethylthio)methyl)phosphorodithioate|O,O-Diethyl-S-(ethylthio-methyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032459
ERPathway2016 ERPathway2016_351 Phorate 298-02-2 DTXSID4032459 ER Pathway Model, Agonist Model Score 0.0181 Unitless CCOP(=S)(OCC)SCSCC Phorate 298-02-2|Phorate|Agrimet|American cyanamid 3,911|American Cyanamid 3911|BAS 225 I|BRN 1708517|Caswell No. 660|CL 35,024|Dithiophosphate de O,O-diethyle et d'ethylthiomethyle|EINECS 206-052-2|EPA Pesticide Chemical Code 057201|Experimental Insecticide 3911|Granutox|Methanethiol, (ethylthio)-, S-ester with O,O-diethyl phosphorodithioate|Methanethiol, (ethylthio)-, S-ester with O,O-diethylphosphorodithioate|O,O-Diaethyl-S-(aethylthio-methyl)-dithiophosphat|O,O-Diethyl ethylthiomethyl phosphorodithioate|O,O-Diethyl S-(ethylthio)methyl phosphorodithioate|O,O-diethyl S-[(ethylsulfanyl)methyl] dithiophosphate|O,O-Diethyl S-[(ethylthio)methyl] phosphorodithioate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl dithiophosphate|O,O-Diethyl S-ethylthiomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl phosphorodithioate|O,O-Diethyl S-ethylthiomethyl thiothionophosphate|O,O-Diethyl-S-((ethylthio)methyl)phosphorodithioate|O,O-Diethyl-S-(ethylthio-methyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032459
ERPathway2016 ERPathway2016_351 Phorate 298-02-2 DTXSID4032459 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)SCSCC Phorate 298-02-2|Phorate|Agrimet|American cyanamid 3,911|American Cyanamid 3911|BAS 225 I|BRN 1708517|Caswell No. 660|CL 35,024|Dithiophosphate de O,O-diethyle et d'ethylthiomethyle|EINECS 206-052-2|EPA Pesticide Chemical Code 057201|Experimental Insecticide 3911|Granutox|Methanethiol, (ethylthio)-, S-ester with O,O-diethyl phosphorodithioate|Methanethiol, (ethylthio)-, S-ester with O,O-diethylphosphorodithioate|O,O-Diaethyl-S-(aethylthio-methyl)-dithiophosphat|O,O-Diethyl ethylthiomethyl phosphorodithioate|O,O-Diethyl S-(ethylthio)methyl phosphorodithioate|O,O-diethyl S-[(ethylsulfanyl)methyl] dithiophosphate|O,O-Diethyl S-[(ethylthio)methyl] phosphorodithioate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl dithiophosphate|O,O-Diethyl S-ethylthiomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl phosphorodithioate|O,O-Diethyl S-ethylthiomethyl thiothionophosphate|O,O-Diethyl-S-((ethylthio)methyl)phosphorodithioate|O,O-Diethyl-S-(ethylthio-methyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032459
ERPathway2016 ERPathway2016_351 Phorate 298-02-2 DTXSID4032459 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)SCSCC Phorate 298-02-2|Phorate|Agrimet|American cyanamid 3,911|American Cyanamid 3911|BAS 225 I|BRN 1708517|Caswell No. 660|CL 35,024|Dithiophosphate de O,O-diethyle et d'ethylthiomethyle|EINECS 206-052-2|EPA Pesticide Chemical Code 057201|Experimental Insecticide 3911|Granutox|Methanethiol, (ethylthio)-, S-ester with O,O-diethyl phosphorodithioate|Methanethiol, (ethylthio)-, S-ester with O,O-diethylphosphorodithioate|O,O-Diaethyl-S-(aethylthio-methyl)-dithiophosphat|O,O-Diethyl ethylthiomethyl phosphorodithioate|O,O-Diethyl S-(ethylthio)methyl phosphorodithioate|O,O-diethyl S-[(ethylsulfanyl)methyl] dithiophosphate|O,O-Diethyl S-[(ethylthio)methyl] phosphorodithioate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl dithiophosphate|O,O-Diethyl S-ethylthiomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl phosphorodithioate|O,O-Diethyl S-ethylthiomethyl thiothionophosphate|O,O-Diethyl-S-((ethylthio)methyl)phosphorodithioate|O,O-Diethyl-S-(ethylthio-methyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032459
ERPathway2016 ERPathway2016_351 Phorate 298-02-2 DTXSID4032459 ER Pathway Model, Antagonist Call Active Unitless CCOP(=S)(OCC)SCSCC Phorate 298-02-2|Phorate|Agrimet|American cyanamid 3,911|American Cyanamid 3911|BAS 225 I|BRN 1708517|Caswell No. 660|CL 35,024|Dithiophosphate de O,O-diethyle et d'ethylthiomethyle|EINECS 206-052-2|EPA Pesticide Chemical Code 057201|Experimental Insecticide 3911|Granutox|Methanethiol, (ethylthio)-, S-ester with O,O-diethyl phosphorodithioate|Methanethiol, (ethylthio)-, S-ester with O,O-diethylphosphorodithioate|O,O-Diaethyl-S-(aethylthio-methyl)-dithiophosphat|O,O-Diethyl ethylthiomethyl phosphorodithioate|O,O-Diethyl S-(ethylthio)methyl phosphorodithioate|O,O-diethyl S-[(ethylsulfanyl)methyl] dithiophosphate|O,O-Diethyl S-[(ethylthio)methyl] phosphorodithioate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphate|O,O-Diethyl S-ethylmercaptomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl dithiophosphate|O,O-Diethyl S-ethylthiomethyl dithiophosphonate|O,O-Diethyl S-ethylthiomethyl phosphorodithioate|O,O-Diethyl S-ethylthiomethyl thiothionophosphate|O,O-Diethyl-S-((ethylthio)methyl)phosphorodithioate|O,O-Diethyl-S-(ethylthio-methyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032459
ARPathway2016 ARPathway2016_117 Phosalone 2310-17-0 DTXSID1024259 FLAG: Wrong direction shift (Hit/Hit) 0.0 R5 AR Pathway Model, Agonist AC50 38.38654279 uM CCOP(=S)(OCC)SCN1C(=O)OC2=CC(Cl)=CC=C12 Phosalone 2310-17-0|Phosalone|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl O,O-diethyl phosphorothiolothionate|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl-O,O-diethyl phosphorothiolothionate|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolone|3-[O,O-(Diethyldithiophosphoryl)methyl]-6-chlorobenzoxazolinone|3-Diethyldithiophosphorylmethyl-6-chlorobenzoxazolone-2|6-Chloro-3-(O,O-diethyldithiophosphorylmethyl)benzoxazolone|6-Chloro-3-diethoxyphosphinothioylthiomethyl-1,3-benzoxazol-2(3H)-one|Agria 1060 A|Azofene|Benzophosphate|Benzphos|BRN 0694650|Caswell No. 660A|Chipman 11974|EINECS 218-996-2|EPA Pesticide Chemical Code 097701|Fosalon|Fozalon|Fozolone|KB insectes|Niagara 9241|O,O-Diaethyl-S-(6-chlor-2-oxo-ben(b)-1,3-oxalin-3-yl)-methyl-dithiophosphat|O,O-Diethyl phosphorodithioate, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone|O,O-Diethyl S-((6-chloro-2-oxobenzoxazolin-3-yl)methyl) phosphorodithioate|O,O-Diethyl S-(6-chlorobenzoxazolinyl-3-methyl) dithiophosphate||11129-09-2|12650-35-0|29562-46-7|54182-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024259
ARPathway2016 ARPathway2016_117 Phosalone 2310-17-0 DTXSID1024259 FLAG: Wrong direction shift (Hit/Hit) 0.0 R5 AR Pathway Model, Agonist ACC 55.0642404615384 uM CCOP(=S)(OCC)SCN1C(=O)OC2=CC(Cl)=CC=C12 Phosalone 2310-17-0|Phosalone|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl O,O-diethyl phosphorothiolothionate|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl-O,O-diethyl phosphorothiolothionate|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolone|3-[O,O-(Diethyldithiophosphoryl)methyl]-6-chlorobenzoxazolinone|3-Diethyldithiophosphorylmethyl-6-chlorobenzoxazolone-2|6-Chloro-3-(O,O-diethyldithiophosphorylmethyl)benzoxazolone|6-Chloro-3-diethoxyphosphinothioylthiomethyl-1,3-benzoxazol-2(3H)-one|Agria 1060 A|Azofene|Benzophosphate|Benzphos|BRN 0694650|Caswell No. 660A|Chipman 11974|EINECS 218-996-2|EPA Pesticide Chemical Code 097701|Fosalon|Fozalon|Fozolone|KB insectes|Niagara 9241|O,O-Diaethyl-S-(6-chlor-2-oxo-ben(b)-1,3-oxalin-3-yl)-methyl-dithiophosphat|O,O-Diethyl phosphorodithioate, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone|O,O-Diethyl S-((6-chloro-2-oxobenzoxazolin-3-yl)methyl) phosphorodithioate|O,O-Diethyl S-(6-chlorobenzoxazolinyl-3-methyl) dithiophosphate||11129-09-2|12650-35-0|29562-46-7|54182-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024259
ARPathway2016 ARPathway2016_117 Phosalone 2310-17-0 DTXSID1024259 FLAG: Wrong direction shift (Hit/Hit) 0.0 R5 AR Pathway Model, Antagonist Model Score 0.0387 Unitless CCOP(=S)(OCC)SCN1C(=O)OC2=CC(Cl)=CC=C12 Phosalone 2310-17-0|Phosalone|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl O,O-diethyl phosphorothiolothionate|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl-O,O-diethyl phosphorothiolothionate|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolone|3-[O,O-(Diethyldithiophosphoryl)methyl]-6-chlorobenzoxazolinone|3-Diethyldithiophosphorylmethyl-6-chlorobenzoxazolone-2|6-Chloro-3-(O,O-diethyldithiophosphorylmethyl)benzoxazolone|6-Chloro-3-diethoxyphosphinothioylthiomethyl-1,3-benzoxazol-2(3H)-one|Agria 1060 A|Azofene|Benzophosphate|Benzphos|BRN 0694650|Caswell No. 660A|Chipman 11974|EINECS 218-996-2|EPA Pesticide Chemical Code 097701|Fosalon|Fozalon|Fozolone|KB insectes|Niagara 9241|O,O-Diaethyl-S-(6-chlor-2-oxo-ben(b)-1,3-oxalin-3-yl)-methyl-dithiophosphat|O,O-Diethyl phosphorodithioate, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone|O,O-Diethyl S-((6-chloro-2-oxobenzoxazolin-3-yl)methyl) phosphorodithioate|O,O-Diethyl S-(6-chlorobenzoxazolinyl-3-methyl) dithiophosphate||11129-09-2|12650-35-0|29562-46-7|54182-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024259
ARPathway2016 ARPathway2016_117 Phosalone 2310-17-0 DTXSID1024259 FLAG: Wrong direction shift (Hit/Hit) 0.0 R5 AR Pathway Model, Agonist Model Score 0.00576 Unitless CCOP(=S)(OCC)SCN1C(=O)OC2=CC(Cl)=CC=C12 Phosalone 2310-17-0|Phosalone|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl O,O-diethyl phosphorothiolothionate|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl-O,O-diethyl phosphorothiolothionate|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolone|3-[O,O-(Diethyldithiophosphoryl)methyl]-6-chlorobenzoxazolinone|3-Diethyldithiophosphorylmethyl-6-chlorobenzoxazolone-2|6-Chloro-3-(O,O-diethyldithiophosphorylmethyl)benzoxazolone|6-Chloro-3-diethoxyphosphinothioylthiomethyl-1,3-benzoxazol-2(3H)-one|Agria 1060 A|Azofene|Benzophosphate|Benzphos|BRN 0694650|Caswell No. 660A|Chipman 11974|EINECS 218-996-2|EPA Pesticide Chemical Code 097701|Fosalon|Fozalon|Fozolone|KB insectes|Niagara 9241|O,O-Diaethyl-S-(6-chlor-2-oxo-ben(b)-1,3-oxalin-3-yl)-methyl-dithiophosphat|O,O-Diethyl phosphorodithioate, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone|O,O-Diethyl S-((6-chloro-2-oxobenzoxazolin-3-yl)methyl) phosphorodithioate|O,O-Diethyl S-(6-chlorobenzoxazolinyl-3-methyl) dithiophosphate||11129-09-2|12650-35-0|29562-46-7|54182-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024259
ARPathway2016 ARPathway2016_117 Phosalone 2310-17-0 DTXSID1024259 FLAG: Wrong direction shift (Hit/Hit) 0.0 R5 AR Pathway Model, Agonist Call Active Unitless CCOP(=S)(OCC)SCN1C(=O)OC2=CC(Cl)=CC=C12 Phosalone 2310-17-0|Phosalone|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl O,O-diethyl phosphorothiolothionate|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl-O,O-diethyl phosphorothiolothionate|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolone|3-[O,O-(Diethyldithiophosphoryl)methyl]-6-chlorobenzoxazolinone|3-Diethyldithiophosphorylmethyl-6-chlorobenzoxazolone-2|6-Chloro-3-(O,O-diethyldithiophosphorylmethyl)benzoxazolone|6-Chloro-3-diethoxyphosphinothioylthiomethyl-1,3-benzoxazol-2(3H)-one|Agria 1060 A|Azofene|Benzophosphate|Benzphos|BRN 0694650|Caswell No. 660A|Chipman 11974|EINECS 218-996-2|EPA Pesticide Chemical Code 097701|Fosalon|Fozalon|Fozolone|KB insectes|Niagara 9241|O,O-Diaethyl-S-(6-chlor-2-oxo-ben(b)-1,3-oxalin-3-yl)-methyl-dithiophosphat|O,O-Diethyl phosphorodithioate, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone|O,O-Diethyl S-((6-chloro-2-oxobenzoxazolin-3-yl)methyl) phosphorodithioate|O,O-Diethyl S-(6-chlorobenzoxazolinyl-3-methyl) dithiophosphate||11129-09-2|12650-35-0|29562-46-7|54182-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024259
ARPathway2016 ARPathway2016_117 Phosalone 2310-17-0 DTXSID1024259 FLAG: Wrong direction shift (Hit/Hit) 0.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OCC)SCN1C(=O)OC2=CC(Cl)=CC=C12 Phosalone 2310-17-0|Phosalone|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl O,O-diethyl phosphorothiolothionate|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl-O,O-diethyl phosphorothiolothionate|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolone|3-[O,O-(Diethyldithiophosphoryl)methyl]-6-chlorobenzoxazolinone|3-Diethyldithiophosphorylmethyl-6-chlorobenzoxazolone-2|6-Chloro-3-(O,O-diethyldithiophosphorylmethyl)benzoxazolone|6-Chloro-3-diethoxyphosphinothioylthiomethyl-1,3-benzoxazol-2(3H)-one|Agria 1060 A|Azofene|Benzophosphate|Benzphos|BRN 0694650|Caswell No. 660A|Chipman 11974|EINECS 218-996-2|EPA Pesticide Chemical Code 097701|Fosalon|Fozalon|Fozolone|KB insectes|Niagara 9241|O,O-Diaethyl-S-(6-chlor-2-oxo-ben(b)-1,3-oxalin-3-yl)-methyl-dithiophosphat|O,O-Diethyl phosphorodithioate, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone|O,O-Diethyl S-((6-chloro-2-oxobenzoxazolin-3-yl)methyl) phosphorodithioate|O,O-Diethyl S-(6-chlorobenzoxazolinyl-3-methyl) dithiophosphate||11129-09-2|12650-35-0|29562-46-7|54182-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024259
ERPathway2016 ERPathway2016_508 Phosalone 2310-17-0 DTXSID1024259 ER Pathway Model, Agonist Model Score 0 Unitless CCOP(=S)(OCC)SCN1C(=O)OC2=CC(Cl)=CC=C12 Phosalone 2310-17-0|Phosalone|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl O,O-diethyl phosphorothiolothionate|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl-O,O-diethyl phosphorothiolothionate|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolone|3-[O,O-(Diethyldithiophosphoryl)methyl]-6-chlorobenzoxazolinone|3-Diethyldithiophosphorylmethyl-6-chlorobenzoxazolone-2|6-Chloro-3-(O,O-diethyldithiophosphorylmethyl)benzoxazolone|6-Chloro-3-diethoxyphosphinothioylthiomethyl-1,3-benzoxazol-2(3H)-one|Agria 1060 A|Azofene|Benzophosphate|Benzphos|BRN 0694650|Caswell No. 660A|Chipman 11974|EINECS 218-996-2|EPA Pesticide Chemical Code 097701|Fosalon|Fozalon|Fozolone|KB insectes|Niagara 9241|O,O-Diaethyl-S-(6-chlor-2-oxo-ben(b)-1,3-oxalin-3-yl)-methyl-dithiophosphat|O,O-Diethyl phosphorodithioate, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone|O,O-Diethyl S-((6-chloro-2-oxobenzoxazolin-3-yl)methyl) phosphorodithioate|O,O-Diethyl S-(6-chlorobenzoxazolinyl-3-methyl) dithiophosphate||11129-09-2|12650-35-0|29562-46-7|54182-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024259
ERPathway2016 ERPathway2016_508 Phosalone 2310-17-0 DTXSID1024259 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)SCN1C(=O)OC2=CC(Cl)=CC=C12 Phosalone 2310-17-0|Phosalone|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl O,O-diethyl phosphorothiolothionate|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl-O,O-diethyl phosphorothiolothionate|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolone|3-[O,O-(Diethyldithiophosphoryl)methyl]-6-chlorobenzoxazolinone|3-Diethyldithiophosphorylmethyl-6-chlorobenzoxazolone-2|6-Chloro-3-(O,O-diethyldithiophosphorylmethyl)benzoxazolone|6-Chloro-3-diethoxyphosphinothioylthiomethyl-1,3-benzoxazol-2(3H)-one|Agria 1060 A|Azofene|Benzophosphate|Benzphos|BRN 0694650|Caswell No. 660A|Chipman 11974|EINECS 218-996-2|EPA Pesticide Chemical Code 097701|Fosalon|Fozalon|Fozolone|KB insectes|Niagara 9241|O,O-Diaethyl-S-(6-chlor-2-oxo-ben(b)-1,3-oxalin-3-yl)-methyl-dithiophosphat|O,O-Diethyl phosphorodithioate, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone|O,O-Diethyl S-((6-chloro-2-oxobenzoxazolin-3-yl)methyl) phosphorodithioate|O,O-Diethyl S-(6-chlorobenzoxazolinyl-3-methyl) dithiophosphate||11129-09-2|12650-35-0|29562-46-7|54182-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024259
ERPathway2016 ERPathway2016_508 Phosalone 2310-17-0 DTXSID1024259 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)SCN1C(=O)OC2=CC(Cl)=CC=C12 Phosalone 2310-17-0|Phosalone|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl O,O-diethyl phosphorothiolothionate|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl-O,O-diethyl phosphorothiolothionate|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolone|3-[O,O-(Diethyldithiophosphoryl)methyl]-6-chlorobenzoxazolinone|3-Diethyldithiophosphorylmethyl-6-chlorobenzoxazolone-2|6-Chloro-3-(O,O-diethyldithiophosphorylmethyl)benzoxazolone|6-Chloro-3-diethoxyphosphinothioylthiomethyl-1,3-benzoxazol-2(3H)-one|Agria 1060 A|Azofene|Benzophosphate|Benzphos|BRN 0694650|Caswell No. 660A|Chipman 11974|EINECS 218-996-2|EPA Pesticide Chemical Code 097701|Fosalon|Fozalon|Fozolone|KB insectes|Niagara 9241|O,O-Diaethyl-S-(6-chlor-2-oxo-ben(b)-1,3-oxalin-3-yl)-methyl-dithiophosphat|O,O-Diethyl phosphorodithioate, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone|O,O-Diethyl S-((6-chloro-2-oxobenzoxazolin-3-yl)methyl) phosphorodithioate|O,O-Diethyl S-(6-chlorobenzoxazolinyl-3-methyl) dithiophosphate||11129-09-2|12650-35-0|29562-46-7|54182-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024259
ERPathway2016 ERPathway2016_508 Phosalone 2310-17-0 DTXSID1024259 ER Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OCC)SCN1C(=O)OC2=CC(Cl)=CC=C12 Phosalone 2310-17-0|Phosalone|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl O,O-diethyl phosphorothiolothionate|3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl-O,O-diethyl phosphorothiolothionate|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone|3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolone|3-[O,O-(Diethyldithiophosphoryl)methyl]-6-chlorobenzoxazolinone|3-Diethyldithiophosphorylmethyl-6-chlorobenzoxazolone-2|6-Chloro-3-(O,O-diethyldithiophosphorylmethyl)benzoxazolone|6-Chloro-3-diethoxyphosphinothioylthiomethyl-1,3-benzoxazol-2(3H)-one|Agria 1060 A|Azofene|Benzophosphate|Benzphos|BRN 0694650|Caswell No. 660A|Chipman 11974|EINECS 218-996-2|EPA Pesticide Chemical Code 097701|Fosalon|Fozalon|Fozolone|KB insectes|Niagara 9241|O,O-Diaethyl-S-(6-chlor-2-oxo-ben(b)-1,3-oxalin-3-yl)-methyl-dithiophosphat|O,O-Diethyl phosphorodithioate, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone|O,O-Diethyl S-((6-chloro-2-oxobenzoxazolin-3-yl)methyl) phosphorodithioate|O,O-Diethyl S-(6-chlorobenzoxazolinyl-3-methyl) dithiophosphate||11129-09-2|12650-35-0|29562-46-7|54182-71-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024259
ARPathway2016 ARPathway2016_1517 Phosmet 732-11-6 DTXSID5024261 0.0 A2 AR Pathway Model, Antagonist Model Score 0 Unitless COP(=S)(OC)SCN1C(=O)C2=C(C=CC=C2)C1=O Phosmet 732-11-6|Phosmet|(O,O-Dimethyl-phthalimidiomethyl-dithiophosphate)|BRN 0264869|Caswell No. 543|Decemthion|Decemthion EK 20|Decemthion P-6|Decemtion|Decemtion P-6|EINECS 211-987-4|EPA Pesticide Chemical Code 059201|Fosmet|Ftalophos|GWN 1976|Imidan 5 Dust|Imidan WP|Imidathion|Kemolate|N-(Dimethoxyphosphinothioylthiomethyl)phthalimide|N-(Mercaptomethyl)phthalimide S-(O,O-dimethyl phosphorodithioate)|O,O-Dimethyl phosphorodithioate S-ester with N-(mercaptomethyl)phthalimide|O,O-Dimethyl phthalimidomethyl phosphorodithioate|O,O-Dimethyl S-(N-phthalimidomethyl)dithiophosphate|O,O-Dimethyl S-(phthalimididomethyl)phosphorodithioate|O,O-Dimethyl S-(phthalimidomethyl) dithiophosphate|O,O-Dimethyl S-(phthalimidomethyl)phosphorodithioate|O,O-Dimethyl S-phthalimidomethyl phosphorodithioate|O,O-Dimethyl S-phthalimidomethyl phosphorothionate|Orbisect|Ordatox|Percolate|Phosphorodithioic acid O,O-dimethyl ester S-ester with N-(mercaptomethyl) phthalimide|Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-(mercaptomethyl)phthalimide|Ph https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024261
ARPathway2016 ARPathway2016_1517 Phosmet 732-11-6 DTXSID5024261 0.0 A2 AR Pathway Model, Agonist Model Score 0 Unitless COP(=S)(OC)SCN1C(=O)C2=C(C=CC=C2)C1=O Phosmet 732-11-6|Phosmet|(O,O-Dimethyl-phthalimidiomethyl-dithiophosphate)|BRN 0264869|Caswell No. 543|Decemthion|Decemthion EK 20|Decemthion P-6|Decemtion|Decemtion P-6|EINECS 211-987-4|EPA Pesticide Chemical Code 059201|Fosmet|Ftalophos|GWN 1976|Imidan 5 Dust|Imidan WP|Imidathion|Kemolate|N-(Dimethoxyphosphinothioylthiomethyl)phthalimide|N-(Mercaptomethyl)phthalimide S-(O,O-dimethyl phosphorodithioate)|O,O-Dimethyl phosphorodithioate S-ester with N-(mercaptomethyl)phthalimide|O,O-Dimethyl phthalimidomethyl phosphorodithioate|O,O-Dimethyl S-(N-phthalimidomethyl)dithiophosphate|O,O-Dimethyl S-(phthalimididomethyl)phosphorodithioate|O,O-Dimethyl S-(phthalimidomethyl) dithiophosphate|O,O-Dimethyl S-(phthalimidomethyl)phosphorodithioate|O,O-Dimethyl S-phthalimidomethyl phosphorodithioate|O,O-Dimethyl S-phthalimidomethyl phosphorothionate|Orbisect|Ordatox|Percolate|Phosphorodithioic acid O,O-dimethyl ester S-ester with N-(mercaptomethyl) phthalimide|Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-(mercaptomethyl)phthalimide|Ph https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024261
ARPathway2016 ARPathway2016_1517 Phosmet 732-11-6 DTXSID5024261 0.0 A2 AR Pathway Model, Agonist Call Inactive Unitless COP(=S)(OC)SCN1C(=O)C2=C(C=CC=C2)C1=O Phosmet 732-11-6|Phosmet|(O,O-Dimethyl-phthalimidiomethyl-dithiophosphate)|BRN 0264869|Caswell No. 543|Decemthion|Decemthion EK 20|Decemthion P-6|Decemtion|Decemtion P-6|EINECS 211-987-4|EPA Pesticide Chemical Code 059201|Fosmet|Ftalophos|GWN 1976|Imidan 5 Dust|Imidan WP|Imidathion|Kemolate|N-(Dimethoxyphosphinothioylthiomethyl)phthalimide|N-(Mercaptomethyl)phthalimide S-(O,O-dimethyl phosphorodithioate)|O,O-Dimethyl phosphorodithioate S-ester with N-(mercaptomethyl)phthalimide|O,O-Dimethyl phthalimidomethyl phosphorodithioate|O,O-Dimethyl S-(N-phthalimidomethyl)dithiophosphate|O,O-Dimethyl S-(phthalimididomethyl)phosphorodithioate|O,O-Dimethyl S-(phthalimidomethyl) dithiophosphate|O,O-Dimethyl S-(phthalimidomethyl)phosphorodithioate|O,O-Dimethyl S-phthalimidomethyl phosphorodithioate|O,O-Dimethyl S-phthalimidomethyl phosphorothionate|Orbisect|Ordatox|Percolate|Phosphorodithioic acid O,O-dimethyl ester S-ester with N-(mercaptomethyl) phthalimide|Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-(mercaptomethyl)phthalimide|Ph https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024261
ARPathway2016 ARPathway2016_1517 Phosmet 732-11-6 DTXSID5024261 0.0 A2 AR Pathway Model, Antagonist Call Inactive Unitless COP(=S)(OC)SCN1C(=O)C2=C(C=CC=C2)C1=O Phosmet 732-11-6|Phosmet|(O,O-Dimethyl-phthalimidiomethyl-dithiophosphate)|BRN 0264869|Caswell No. 543|Decemthion|Decemthion EK 20|Decemthion P-6|Decemtion|Decemtion P-6|EINECS 211-987-4|EPA Pesticide Chemical Code 059201|Fosmet|Ftalophos|GWN 1976|Imidan 5 Dust|Imidan WP|Imidathion|Kemolate|N-(Dimethoxyphosphinothioylthiomethyl)phthalimide|N-(Mercaptomethyl)phthalimide S-(O,O-dimethyl phosphorodithioate)|O,O-Dimethyl phosphorodithioate S-ester with N-(mercaptomethyl)phthalimide|O,O-Dimethyl phthalimidomethyl phosphorodithioate|O,O-Dimethyl S-(N-phthalimidomethyl)dithiophosphate|O,O-Dimethyl S-(phthalimididomethyl)phosphorodithioate|O,O-Dimethyl S-(phthalimidomethyl) dithiophosphate|O,O-Dimethyl S-(phthalimidomethyl)phosphorodithioate|O,O-Dimethyl S-phthalimidomethyl phosphorodithioate|O,O-Dimethyl S-phthalimidomethyl phosphorothionate|Orbisect|Ordatox|Percolate|Phosphorodithioic acid O,O-dimethyl ester S-ester with N-(mercaptomethyl) phthalimide|Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-(mercaptomethyl)phthalimide|Ph https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024261
ERPathway2016 ERPathway2016_1628 Phosmet 732-11-6 DTXSID5024261 ER Pathway Model, Agonist Model Score 0 Unitless COP(=S)(OC)SCN1C(=O)C2=C(C=CC=C2)C1=O Phosmet 732-11-6|Phosmet|(O,O-Dimethyl-phthalimidiomethyl-dithiophosphate)|BRN 0264869|Caswell No. 543|Decemthion|Decemthion EK 20|Decemthion P-6|Decemtion|Decemtion P-6|EINECS 211-987-4|EPA Pesticide Chemical Code 059201|Fosmet|Ftalophos|GWN 1976|Imidan 5 Dust|Imidan WP|Imidathion|Kemolate|N-(Dimethoxyphosphinothioylthiomethyl)phthalimide|N-(Mercaptomethyl)phthalimide S-(O,O-dimethyl phosphorodithioate)|O,O-Dimethyl phosphorodithioate S-ester with N-(mercaptomethyl)phthalimide|O,O-Dimethyl phthalimidomethyl phosphorodithioate|O,O-Dimethyl S-(N-phthalimidomethyl)dithiophosphate|O,O-Dimethyl S-(phthalimididomethyl)phosphorodithioate|O,O-Dimethyl S-(phthalimidomethyl) dithiophosphate|O,O-Dimethyl S-(phthalimidomethyl)phosphorodithioate|O,O-Dimethyl S-phthalimidomethyl phosphorodithioate|O,O-Dimethyl S-phthalimidomethyl phosphorothionate|Orbisect|Ordatox|Percolate|Phosphorodithioic acid O,O-dimethyl ester S-ester with N-(mercaptomethyl) phthalimide|Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-(mercaptomethyl)phthalimide|Ph https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024261
ERPathway2016 ERPathway2016_1628 Phosmet 732-11-6 DTXSID5024261 ER Pathway Model, Antagonist Model Score 0 Unitless COP(=S)(OC)SCN1C(=O)C2=C(C=CC=C2)C1=O Phosmet 732-11-6|Phosmet|(O,O-Dimethyl-phthalimidiomethyl-dithiophosphate)|BRN 0264869|Caswell No. 543|Decemthion|Decemthion EK 20|Decemthion P-6|Decemtion|Decemtion P-6|EINECS 211-987-4|EPA Pesticide Chemical Code 059201|Fosmet|Ftalophos|GWN 1976|Imidan 5 Dust|Imidan WP|Imidathion|Kemolate|N-(Dimethoxyphosphinothioylthiomethyl)phthalimide|N-(Mercaptomethyl)phthalimide S-(O,O-dimethyl phosphorodithioate)|O,O-Dimethyl phosphorodithioate S-ester with N-(mercaptomethyl)phthalimide|O,O-Dimethyl phthalimidomethyl phosphorodithioate|O,O-Dimethyl S-(N-phthalimidomethyl)dithiophosphate|O,O-Dimethyl S-(phthalimididomethyl)phosphorodithioate|O,O-Dimethyl S-(phthalimidomethyl) dithiophosphate|O,O-Dimethyl S-(phthalimidomethyl)phosphorodithioate|O,O-Dimethyl S-phthalimidomethyl phosphorodithioate|O,O-Dimethyl S-phthalimidomethyl phosphorothionate|Orbisect|Ordatox|Percolate|Phosphorodithioic acid O,O-dimethyl ester S-ester with N-(mercaptomethyl) phthalimide|Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-(mercaptomethyl)phthalimide|Ph https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024261
ERPathway2016 ERPathway2016_1628 Phosmet 732-11-6 DTXSID5024261 ER Pathway Model, Agonist Call Inactive Unitless COP(=S)(OC)SCN1C(=O)C2=C(C=CC=C2)C1=O Phosmet 732-11-6|Phosmet|(O,O-Dimethyl-phthalimidiomethyl-dithiophosphate)|BRN 0264869|Caswell No. 543|Decemthion|Decemthion EK 20|Decemthion P-6|Decemtion|Decemtion P-6|EINECS 211-987-4|EPA Pesticide Chemical Code 059201|Fosmet|Ftalophos|GWN 1976|Imidan 5 Dust|Imidan WP|Imidathion|Kemolate|N-(Dimethoxyphosphinothioylthiomethyl)phthalimide|N-(Mercaptomethyl)phthalimide S-(O,O-dimethyl phosphorodithioate)|O,O-Dimethyl phosphorodithioate S-ester with N-(mercaptomethyl)phthalimide|O,O-Dimethyl phthalimidomethyl phosphorodithioate|O,O-Dimethyl S-(N-phthalimidomethyl)dithiophosphate|O,O-Dimethyl S-(phthalimididomethyl)phosphorodithioate|O,O-Dimethyl S-(phthalimidomethyl) dithiophosphate|O,O-Dimethyl S-(phthalimidomethyl)phosphorodithioate|O,O-Dimethyl S-phthalimidomethyl phosphorodithioate|O,O-Dimethyl S-phthalimidomethyl phosphorothionate|Orbisect|Ordatox|Percolate|Phosphorodithioic acid O,O-dimethyl ester S-ester with N-(mercaptomethyl) phthalimide|Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-(mercaptomethyl)phthalimide|Ph https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024261
ERPathway2016 ERPathway2016_1628 Phosmet 732-11-6 DTXSID5024261 ER Pathway Model, Antagonist Call Inactive Unitless COP(=S)(OC)SCN1C(=O)C2=C(C=CC=C2)C1=O Phosmet 732-11-6|Phosmet|(O,O-Dimethyl-phthalimidiomethyl-dithiophosphate)|BRN 0264869|Caswell No. 543|Decemthion|Decemthion EK 20|Decemthion P-6|Decemtion|Decemtion P-6|EINECS 211-987-4|EPA Pesticide Chemical Code 059201|Fosmet|Ftalophos|GWN 1976|Imidan 5 Dust|Imidan WP|Imidathion|Kemolate|N-(Dimethoxyphosphinothioylthiomethyl)phthalimide|N-(Mercaptomethyl)phthalimide S-(O,O-dimethyl phosphorodithioate)|O,O-Dimethyl phosphorodithioate S-ester with N-(mercaptomethyl)phthalimide|O,O-Dimethyl phthalimidomethyl phosphorodithioate|O,O-Dimethyl S-(N-phthalimidomethyl)dithiophosphate|O,O-Dimethyl S-(phthalimididomethyl)phosphorodithioate|O,O-Dimethyl S-(phthalimidomethyl) dithiophosphate|O,O-Dimethyl S-(phthalimidomethyl)phosphorodithioate|O,O-Dimethyl S-phthalimidomethyl phosphorodithioate|O,O-Dimethyl S-phthalimidomethyl phosphorothionate|Orbisect|Ordatox|Percolate|Phosphorodithioic acid O,O-dimethyl ester S-ester with N-(mercaptomethyl) phthalimide|Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-(mercaptomethyl)phthalimide|Ph https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024261
ARPathway2016 ARPathway2016_1542 Phosphoric acid 7664-38-2 DTXSID5024263 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless OP(O)(O)=O Phosphoric acid 7664-38-2|Phosphoric acid|[PO(OH)3]|3M Etching Liquid|Acide orthophosphorique|acide phosphorique|Acide phosphorique (FRENCH)|ACIDIC PHOSPHATES|Acido fosforico|Acido fosforico [Italian]|acido ortofosforico|acidum phosphoricum|Amberphos 54|Caswell No. 662|Conditioner 36|Diphosphate tetrasodium|EINECS 231-633-2|EPA Pesticide Chemical Code 076001|Etchalite|FEMA No. 2900|Fosforzuuroplossingen|Fosforzuuroplossingen [Dutch]|H3PO4|K-etchant|Kerr Etchant|Marphos|Mikro Klene DF|NFB|NSC 80804|o-Phosphoric acid|Ortho- phosphoric acid|orthophosphoric acid|orthophosphoric acid H3O4P|Orthophosphorsaure|Panavia Etching Agent|Phosphate|Phosphoric acid|Phosphoric acid (ACD/Name 4.0)|Phosphoric Acid AR|Phosphoric acid Divosan X-Tend formulation|Phosphoric acid, ortho-|Phosphoricum acidum|Phosphorsaeure|PHOSPHORSAEURE UEBER 10% BIS 20%|PHOSPHORSAEURE UEBER 20%|PHOSPHORSAEURE UEBER 5% BIS 10%|Phosphorsaeureloesungen|Phosphorsaeureloesungen [German]|Sodium Pyrophosphate|Sodium pyrophosphate decahydrate|Sodium pyrophosphate decahydrate BioChemica|Sonac|Tetr|1021417-41-3|1053657-23-0|1196963-54-8|178560-73-1|28602-75-7|959699-83-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024263
ARPathway2016 ARPathway2016_1542 Phosphoric acid 7664-38-2 DTXSID5024263 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless OP(O)(O)=O Phosphoric acid 7664-38-2|Phosphoric acid|[PO(OH)3]|3M Etching Liquid|Acide orthophosphorique|acide phosphorique|Acide phosphorique (FRENCH)|ACIDIC PHOSPHATES|Acido fosforico|Acido fosforico [Italian]|acido ortofosforico|acidum phosphoricum|Amberphos 54|Caswell No. 662|Conditioner 36|Diphosphate tetrasodium|EINECS 231-633-2|EPA Pesticide Chemical Code 076001|Etchalite|FEMA No. 2900|Fosforzuuroplossingen|Fosforzuuroplossingen [Dutch]|H3PO4|K-etchant|Kerr Etchant|Marphos|Mikro Klene DF|NFB|NSC 80804|o-Phosphoric acid|Ortho- phosphoric acid|orthophosphoric acid|orthophosphoric acid H3O4P|Orthophosphorsaure|Panavia Etching Agent|Phosphate|Phosphoric acid|Phosphoric acid (ACD/Name 4.0)|Phosphoric Acid AR|Phosphoric acid Divosan X-Tend formulation|Phosphoric acid, ortho-|Phosphoricum acidum|Phosphorsaeure|PHOSPHORSAEURE UEBER 10% BIS 20%|PHOSPHORSAEURE UEBER 20%|PHOSPHORSAEURE UEBER 5% BIS 10%|Phosphorsaeureloesungen|Phosphorsaeureloesungen [German]|Sodium Pyrophosphate|Sodium pyrophosphate decahydrate|Sodium pyrophosphate decahydrate BioChemica|Sonac|Tetr|1021417-41-3|1053657-23-0|1196963-54-8|178560-73-1|28602-75-7|959699-83-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024263
ARPathway2016 ARPathway2016_1542 Phosphoric acid 7664-38-2 DTXSID5024263 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless OP(O)(O)=O Phosphoric acid 7664-38-2|Phosphoric acid|[PO(OH)3]|3M Etching Liquid|Acide orthophosphorique|acide phosphorique|Acide phosphorique (FRENCH)|ACIDIC PHOSPHATES|Acido fosforico|Acido fosforico [Italian]|acido ortofosforico|acidum phosphoricum|Amberphos 54|Caswell No. 662|Conditioner 36|Diphosphate tetrasodium|EINECS 231-633-2|EPA Pesticide Chemical Code 076001|Etchalite|FEMA No. 2900|Fosforzuuroplossingen|Fosforzuuroplossingen [Dutch]|H3PO4|K-etchant|Kerr Etchant|Marphos|Mikro Klene DF|NFB|NSC 80804|o-Phosphoric acid|Ortho- phosphoric acid|orthophosphoric acid|orthophosphoric acid H3O4P|Orthophosphorsaure|Panavia Etching Agent|Phosphate|Phosphoric acid|Phosphoric acid (ACD/Name 4.0)|Phosphoric Acid AR|Phosphoric acid Divosan X-Tend formulation|Phosphoric acid, ortho-|Phosphoricum acidum|Phosphorsaeure|PHOSPHORSAEURE UEBER 10% BIS 20%|PHOSPHORSAEURE UEBER 20%|PHOSPHORSAEURE UEBER 5% BIS 10%|Phosphorsaeureloesungen|Phosphorsaeureloesungen [German]|Sodium Pyrophosphate|Sodium pyrophosphate decahydrate|Sodium pyrophosphate decahydrate BioChemica|Sonac|Tetr|1021417-41-3|1053657-23-0|1196963-54-8|178560-73-1|28602-75-7|959699-83-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024263
ARPathway2016 ARPathway2016_1542 Phosphoric acid 7664-38-2 DTXSID5024263 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless OP(O)(O)=O Phosphoric acid 7664-38-2|Phosphoric acid|[PO(OH)3]|3M Etching Liquid|Acide orthophosphorique|acide phosphorique|Acide phosphorique (FRENCH)|ACIDIC PHOSPHATES|Acido fosforico|Acido fosforico [Italian]|acido ortofosforico|acidum phosphoricum|Amberphos 54|Caswell No. 662|Conditioner 36|Diphosphate tetrasodium|EINECS 231-633-2|EPA Pesticide Chemical Code 076001|Etchalite|FEMA No. 2900|Fosforzuuroplossingen|Fosforzuuroplossingen [Dutch]|H3PO4|K-etchant|Kerr Etchant|Marphos|Mikro Klene DF|NFB|NSC 80804|o-Phosphoric acid|Ortho- phosphoric acid|orthophosphoric acid|orthophosphoric acid H3O4P|Orthophosphorsaure|Panavia Etching Agent|Phosphate|Phosphoric acid|Phosphoric acid (ACD/Name 4.0)|Phosphoric Acid AR|Phosphoric acid Divosan X-Tend formulation|Phosphoric acid, ortho-|Phosphoricum acidum|Phosphorsaeure|PHOSPHORSAEURE UEBER 10% BIS 20%|PHOSPHORSAEURE UEBER 20%|PHOSPHORSAEURE UEBER 5% BIS 10%|Phosphorsaeureloesungen|Phosphorsaeureloesungen [German]|Sodium Pyrophosphate|Sodium pyrophosphate decahydrate|Sodium pyrophosphate decahydrate BioChemica|Sonac|Tetr|1021417-41-3|1053657-23-0|1196963-54-8|178560-73-1|28602-75-7|959699-83-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024263
ERPathway2016 ERPathway2016_426 Phosphoric acid 7664-38-2 DTXSID5024263 ER Pathway Model, Antagonist AC50 4.87800896870356 uM OP(O)(O)=O Phosphoric acid 7664-38-2|Phosphoric acid|[PO(OH)3]|3M Etching Liquid|Acide orthophosphorique|acide phosphorique|Acide phosphorique (FRENCH)|ACIDIC PHOSPHATES|Acido fosforico|Acido fosforico [Italian]|acido ortofosforico|acidum phosphoricum|Amberphos 54|Caswell No. 662|Conditioner 36|Diphosphate tetrasodium|EINECS 231-633-2|EPA Pesticide Chemical Code 076001|Etchalite|FEMA No. 2900|Fosforzuuroplossingen|Fosforzuuroplossingen [Dutch]|H3PO4|K-etchant|Kerr Etchant|Marphos|Mikro Klene DF|NFB|NSC 80804|o-Phosphoric acid|Ortho- phosphoric acid|orthophosphoric acid|orthophosphoric acid H3O4P|Orthophosphorsaure|Panavia Etching Agent|Phosphate|Phosphoric acid|Phosphoric acid (ACD/Name 4.0)|Phosphoric Acid AR|Phosphoric acid Divosan X-Tend formulation|Phosphoric acid, ortho-|Phosphoricum acidum|Phosphorsaeure|PHOSPHORSAEURE UEBER 10% BIS 20%|PHOSPHORSAEURE UEBER 20%|PHOSPHORSAEURE UEBER 5% BIS 10%|Phosphorsaeureloesungen|Phosphorsaeureloesungen [German]|Sodium Pyrophosphate|Sodium pyrophosphate decahydrate|Sodium pyrophosphate decahydrate BioChemica|Sonac|Tetr|1021417-41-3|1053657-23-0|1196963-54-8|178560-73-1|28602-75-7|959699-83-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024263
ERPathway2016 ERPathway2016_426 Phosphoric acid 7664-38-2 DTXSID5024263 ER Pathway Model, Antagonist ACC 4.35372386880535 uM OP(O)(O)=O Phosphoric acid 7664-38-2|Phosphoric acid|[PO(OH)3]|3M Etching Liquid|Acide orthophosphorique|acide phosphorique|Acide phosphorique (FRENCH)|ACIDIC PHOSPHATES|Acido fosforico|Acido fosforico [Italian]|acido ortofosforico|acidum phosphoricum|Amberphos 54|Caswell No. 662|Conditioner 36|Diphosphate tetrasodium|EINECS 231-633-2|EPA Pesticide Chemical Code 076001|Etchalite|FEMA No. 2900|Fosforzuuroplossingen|Fosforzuuroplossingen [Dutch]|H3PO4|K-etchant|Kerr Etchant|Marphos|Mikro Klene DF|NFB|NSC 80804|o-Phosphoric acid|Ortho- phosphoric acid|orthophosphoric acid|orthophosphoric acid H3O4P|Orthophosphorsaure|Panavia Etching Agent|Phosphate|Phosphoric acid|Phosphoric acid (ACD/Name 4.0)|Phosphoric Acid AR|Phosphoric acid Divosan X-Tend formulation|Phosphoric acid, ortho-|Phosphoricum acidum|Phosphorsaeure|PHOSPHORSAEURE UEBER 10% BIS 20%|PHOSPHORSAEURE UEBER 20%|PHOSPHORSAEURE UEBER 5% BIS 10%|Phosphorsaeureloesungen|Phosphorsaeureloesungen [German]|Sodium Pyrophosphate|Sodium pyrophosphate decahydrate|Sodium pyrophosphate decahydrate BioChemica|Sonac|Tetr|1021417-41-3|1053657-23-0|1196963-54-8|178560-73-1|28602-75-7|959699-83-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024263
ERPathway2016 ERPathway2016_426 Phosphoric acid 7664-38-2 DTXSID5024263 ER Pathway Model, Agonist Model Score 0.0069 Unitless OP(O)(O)=O Phosphoric acid 7664-38-2|Phosphoric acid|[PO(OH)3]|3M Etching Liquid|Acide orthophosphorique|acide phosphorique|Acide phosphorique (FRENCH)|ACIDIC PHOSPHATES|Acido fosforico|Acido fosforico [Italian]|acido ortofosforico|acidum phosphoricum|Amberphos 54|Caswell No. 662|Conditioner 36|Diphosphate tetrasodium|EINECS 231-633-2|EPA Pesticide Chemical Code 076001|Etchalite|FEMA No. 2900|Fosforzuuroplossingen|Fosforzuuroplossingen [Dutch]|H3PO4|K-etchant|Kerr Etchant|Marphos|Mikro Klene DF|NFB|NSC 80804|o-Phosphoric acid|Ortho- phosphoric acid|orthophosphoric acid|orthophosphoric acid H3O4P|Orthophosphorsaure|Panavia Etching Agent|Phosphate|Phosphoric acid|Phosphoric acid (ACD/Name 4.0)|Phosphoric Acid AR|Phosphoric acid Divosan X-Tend formulation|Phosphoric acid, ortho-|Phosphoricum acidum|Phosphorsaeure|PHOSPHORSAEURE UEBER 10% BIS 20%|PHOSPHORSAEURE UEBER 20%|PHOSPHORSAEURE UEBER 5% BIS 10%|Phosphorsaeureloesungen|Phosphorsaeureloesungen [German]|Sodium Pyrophosphate|Sodium pyrophosphate decahydrate|Sodium pyrophosphate decahydrate BioChemica|Sonac|Tetr|1021417-41-3|1053657-23-0|1196963-54-8|178560-73-1|28602-75-7|959699-83-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024263
ERPathway2016 ERPathway2016_426 Phosphoric acid 7664-38-2 DTXSID5024263 ER Pathway Model, Antagonist Model Score 0 Unitless OP(O)(O)=O Phosphoric acid 7664-38-2|Phosphoric acid|[PO(OH)3]|3M Etching Liquid|Acide orthophosphorique|acide phosphorique|Acide phosphorique (FRENCH)|ACIDIC PHOSPHATES|Acido fosforico|Acido fosforico [Italian]|acido ortofosforico|acidum phosphoricum|Amberphos 54|Caswell No. 662|Conditioner 36|Diphosphate tetrasodium|EINECS 231-633-2|EPA Pesticide Chemical Code 076001|Etchalite|FEMA No. 2900|Fosforzuuroplossingen|Fosforzuuroplossingen [Dutch]|H3PO4|K-etchant|Kerr Etchant|Marphos|Mikro Klene DF|NFB|NSC 80804|o-Phosphoric acid|Ortho- phosphoric acid|orthophosphoric acid|orthophosphoric acid H3O4P|Orthophosphorsaure|Panavia Etching Agent|Phosphate|Phosphoric acid|Phosphoric acid (ACD/Name 4.0)|Phosphoric Acid AR|Phosphoric acid Divosan X-Tend formulation|Phosphoric acid, ortho-|Phosphoricum acidum|Phosphorsaeure|PHOSPHORSAEURE UEBER 10% BIS 20%|PHOSPHORSAEURE UEBER 20%|PHOSPHORSAEURE UEBER 5% BIS 10%|Phosphorsaeureloesungen|Phosphorsaeureloesungen [German]|Sodium Pyrophosphate|Sodium pyrophosphate decahydrate|Sodium pyrophosphate decahydrate BioChemica|Sonac|Tetr|1021417-41-3|1053657-23-0|1196963-54-8|178560-73-1|28602-75-7|959699-83-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024263
ERPathway2016 ERPathway2016_426 Phosphoric acid 7664-38-2 DTXSID5024263 ER Pathway Model, Agonist Call Inactive Unitless OP(O)(O)=O Phosphoric acid 7664-38-2|Phosphoric acid|[PO(OH)3]|3M Etching Liquid|Acide orthophosphorique|acide phosphorique|Acide phosphorique (FRENCH)|ACIDIC PHOSPHATES|Acido fosforico|Acido fosforico [Italian]|acido ortofosforico|acidum phosphoricum|Amberphos 54|Caswell No. 662|Conditioner 36|Diphosphate tetrasodium|EINECS 231-633-2|EPA Pesticide Chemical Code 076001|Etchalite|FEMA No. 2900|Fosforzuuroplossingen|Fosforzuuroplossingen [Dutch]|H3PO4|K-etchant|Kerr Etchant|Marphos|Mikro Klene DF|NFB|NSC 80804|o-Phosphoric acid|Ortho- phosphoric acid|orthophosphoric acid|orthophosphoric acid H3O4P|Orthophosphorsaure|Panavia Etching Agent|Phosphate|Phosphoric acid|Phosphoric acid (ACD/Name 4.0)|Phosphoric Acid AR|Phosphoric acid Divosan X-Tend formulation|Phosphoric acid, ortho-|Phosphoricum acidum|Phosphorsaeure|PHOSPHORSAEURE UEBER 10% BIS 20%|PHOSPHORSAEURE UEBER 20%|PHOSPHORSAEURE UEBER 5% BIS 10%|Phosphorsaeureloesungen|Phosphorsaeureloesungen [German]|Sodium Pyrophosphate|Sodium pyrophosphate decahydrate|Sodium pyrophosphate decahydrate BioChemica|Sonac|Tetr|1021417-41-3|1053657-23-0|1196963-54-8|178560-73-1|28602-75-7|959699-83-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024263
ERPathway2016 ERPathway2016_426 Phosphoric acid 7664-38-2 DTXSID5024263 ER Pathway Model, Antagonist Call Active Unitless OP(O)(O)=O Phosphoric acid 7664-38-2|Phosphoric acid|[PO(OH)3]|3M Etching Liquid|Acide orthophosphorique|acide phosphorique|Acide phosphorique (FRENCH)|ACIDIC PHOSPHATES|Acido fosforico|Acido fosforico [Italian]|acido ortofosforico|acidum phosphoricum|Amberphos 54|Caswell No. 662|Conditioner 36|Diphosphate tetrasodium|EINECS 231-633-2|EPA Pesticide Chemical Code 076001|Etchalite|FEMA No. 2900|Fosforzuuroplossingen|Fosforzuuroplossingen [Dutch]|H3PO4|K-etchant|Kerr Etchant|Marphos|Mikro Klene DF|NFB|NSC 80804|o-Phosphoric acid|Ortho- phosphoric acid|orthophosphoric acid|orthophosphoric acid H3O4P|Orthophosphorsaure|Panavia Etching Agent|Phosphate|Phosphoric acid|Phosphoric acid (ACD/Name 4.0)|Phosphoric Acid AR|Phosphoric acid Divosan X-Tend formulation|Phosphoric acid, ortho-|Phosphoricum acidum|Phosphorsaeure|PHOSPHORSAEURE UEBER 10% BIS 20%|PHOSPHORSAEURE UEBER 20%|PHOSPHORSAEURE UEBER 5% BIS 10%|Phosphorsaeureloesungen|Phosphorsaeureloesungen [German]|Sodium Pyrophosphate|Sodium pyrophosphate decahydrate|Sodium pyrophosphate decahydrate BioChemica|Sonac|Tetr|1021417-41-3|1053657-23-0|1196963-54-8|178560-73-1|28602-75-7|959699-83-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024263
ARPathway2016 ARPathway2016_868 Phoxim 14816-18-3 DTXSID8034324 1.0 A8 AR Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1 Phoxim 14816-18-3|Phoxim|(Diethoxy-thiophosphoryloxyimino)-phenyl acetonitrile|2-(Diethoxyphosphinothioyloxyimino)-2-phenylacetonitrile|238-887-3|3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|3,5-Dioxa-6-aza-4-phosphaoct-6ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|4-Ethoxy-7-phenyl-3,5-dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile 4-sulfide|4,6-Dioxa-3-aza-5-phosphaoct-2-enenitrile, 5-ethoxy-2-phenyl-, 5-sulfide|Basileum SI|Basileum SI 84|Basileum SI 84EC|BAY 77488|BAY sra 7502|Bayer 77488|Baythion|Benzeneacetonitrile, alpha-(((diethoxyphosphinothioyl)oxy)imino)-|Benzoyl cyanide O-(diethoxyphosphinothioyl)oxime|Caswell No. 902L|Diethoxyphosphinothioyloxyimino(phenyl)acetonitrile|EC No.: 238-887-3|EINECS 238-887-3|EPA Pesticide Chemical Code 598800|Folaton|Glyoxylonitrile, phenyl-, oxime O,O-diethyl phosphorothioate|O, O-Diethyl-O-(alpha-cyanobenzylideneamino) thiophosphate|O,O-Diaethyl-O-(alpha-cyanbenzyliden-amino)-thionphosphat|O,O-Diaethyl-O-(alpha-cyano-benzylidenamino)-monothiophosphat|O,O-Diethyl alp|1195303-43-5|29556-99-8|35915-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034324
ARPathway2016 ARPathway2016_868 Phoxim 14816-18-3 DTXSID8034324 1.0 A8 AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1 Phoxim 14816-18-3|Phoxim|(Diethoxy-thiophosphoryloxyimino)-phenyl acetonitrile|2-(Diethoxyphosphinothioyloxyimino)-2-phenylacetonitrile|238-887-3|3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|3,5-Dioxa-6-aza-4-phosphaoct-6ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|4-Ethoxy-7-phenyl-3,5-dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile 4-sulfide|4,6-Dioxa-3-aza-5-phosphaoct-2-enenitrile, 5-ethoxy-2-phenyl-, 5-sulfide|Basileum SI|Basileum SI 84|Basileum SI 84EC|BAY 77488|BAY sra 7502|Bayer 77488|Baythion|Benzeneacetonitrile, alpha-(((diethoxyphosphinothioyl)oxy)imino)-|Benzoyl cyanide O-(diethoxyphosphinothioyl)oxime|Caswell No. 902L|Diethoxyphosphinothioyloxyimino(phenyl)acetonitrile|EC No.: 238-887-3|EINECS 238-887-3|EPA Pesticide Chemical Code 598800|Folaton|Glyoxylonitrile, phenyl-, oxime O,O-diethyl phosphorothioate|O, O-Diethyl-O-(alpha-cyanobenzylideneamino) thiophosphate|O,O-Diaethyl-O-(alpha-cyanbenzyliden-amino)-thionphosphat|O,O-Diaethyl-O-(alpha-cyano-benzylidenamino)-monothiophosphat|O,O-Diethyl alp|1195303-43-5|29556-99-8|35915-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034324
ARPathway2016 ARPathway2016_868 Phoxim 14816-18-3 DTXSID8034324 1.0 A8 AR Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1 Phoxim 14816-18-3|Phoxim|(Diethoxy-thiophosphoryloxyimino)-phenyl acetonitrile|2-(Diethoxyphosphinothioyloxyimino)-2-phenylacetonitrile|238-887-3|3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|3,5-Dioxa-6-aza-4-phosphaoct-6ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|4-Ethoxy-7-phenyl-3,5-dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile 4-sulfide|4,6-Dioxa-3-aza-5-phosphaoct-2-enenitrile, 5-ethoxy-2-phenyl-, 5-sulfide|Basileum SI|Basileum SI 84|Basileum SI 84EC|BAY 77488|BAY sra 7502|Bayer 77488|Baythion|Benzeneacetonitrile, alpha-(((diethoxyphosphinothioyl)oxy)imino)-|Benzoyl cyanide O-(diethoxyphosphinothioyl)oxime|Caswell No. 902L|Diethoxyphosphinothioyloxyimino(phenyl)acetonitrile|EC No.: 238-887-3|EINECS 238-887-3|EPA Pesticide Chemical Code 598800|Folaton|Glyoxylonitrile, phenyl-, oxime O,O-diethyl phosphorothioate|O, O-Diethyl-O-(alpha-cyanobenzylideneamino) thiophosphate|O,O-Diaethyl-O-(alpha-cyanbenzyliden-amino)-thionphosphat|O,O-Diaethyl-O-(alpha-cyano-benzylidenamino)-monothiophosphat|O,O-Diethyl alp|1195303-43-5|29556-99-8|35915-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034324
ARPathway2016 ARPathway2016_868 Phoxim 14816-18-3 DTXSID8034324 1.0 A8 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1 Phoxim 14816-18-3|Phoxim|(Diethoxy-thiophosphoryloxyimino)-phenyl acetonitrile|2-(Diethoxyphosphinothioyloxyimino)-2-phenylacetonitrile|238-887-3|3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|3,5-Dioxa-6-aza-4-phosphaoct-6ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|4-Ethoxy-7-phenyl-3,5-dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile 4-sulfide|4,6-Dioxa-3-aza-5-phosphaoct-2-enenitrile, 5-ethoxy-2-phenyl-, 5-sulfide|Basileum SI|Basileum SI 84|Basileum SI 84EC|BAY 77488|BAY sra 7502|Bayer 77488|Baythion|Benzeneacetonitrile, alpha-(((diethoxyphosphinothioyl)oxy)imino)-|Benzoyl cyanide O-(diethoxyphosphinothioyl)oxime|Caswell No. 902L|Diethoxyphosphinothioyloxyimino(phenyl)acetonitrile|EC No.: 238-887-3|EINECS 238-887-3|EPA Pesticide Chemical Code 598800|Folaton|Glyoxylonitrile, phenyl-, oxime O,O-diethyl phosphorothioate|O, O-Diethyl-O-(alpha-cyanobenzylideneamino) thiophosphate|O,O-Diaethyl-O-(alpha-cyanbenzyliden-amino)-thionphosphat|O,O-Diaethyl-O-(alpha-cyano-benzylidenamino)-monothiophosphat|O,O-Diethyl alp|1195303-43-5|29556-99-8|35915-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034324
ERPathway2016 ERPathway2016_211 Phoxim 14816-18-3 DTXSID8034324 Agonist ER Pathway Model, Antagonist AC50 25.8028910877643 uM CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1 Phoxim 14816-18-3|Phoxim|(Diethoxy-thiophosphoryloxyimino)-phenyl acetonitrile|2-(Diethoxyphosphinothioyloxyimino)-2-phenylacetonitrile|238-887-3|3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|3,5-Dioxa-6-aza-4-phosphaoct-6ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|4-Ethoxy-7-phenyl-3,5-dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile 4-sulfide|4,6-Dioxa-3-aza-5-phosphaoct-2-enenitrile, 5-ethoxy-2-phenyl-, 5-sulfide|Basileum SI|Basileum SI 84|Basileum SI 84EC|BAY 77488|BAY sra 7502|Bayer 77488|Baythion|Benzeneacetonitrile, alpha-(((diethoxyphosphinothioyl)oxy)imino)-|Benzoyl cyanide O-(diethoxyphosphinothioyl)oxime|Caswell No. 902L|Diethoxyphosphinothioyloxyimino(phenyl)acetonitrile|EC No.: 238-887-3|EINECS 238-887-3|EPA Pesticide Chemical Code 598800|Folaton|Glyoxylonitrile, phenyl-, oxime O,O-diethyl phosphorothioate|O, O-Diethyl-O-(alpha-cyanobenzylideneamino) thiophosphate|O,O-Diaethyl-O-(alpha-cyanbenzyliden-amino)-thionphosphat|O,O-Diaethyl-O-(alpha-cyano-benzylidenamino)-monothiophosphat|O,O-Diethyl alp|1195303-43-5|29556-99-8|35915-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034324
ERPathway2016 ERPathway2016_211 Phoxim 14816-18-3 DTXSID8034324 Agonist ER Pathway Model, Antagonist ACC 17.3446672630185 uM CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1 Phoxim 14816-18-3|Phoxim|(Diethoxy-thiophosphoryloxyimino)-phenyl acetonitrile|2-(Diethoxyphosphinothioyloxyimino)-2-phenylacetonitrile|238-887-3|3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|3,5-Dioxa-6-aza-4-phosphaoct-6ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|4-Ethoxy-7-phenyl-3,5-dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile 4-sulfide|4,6-Dioxa-3-aza-5-phosphaoct-2-enenitrile, 5-ethoxy-2-phenyl-, 5-sulfide|Basileum SI|Basileum SI 84|Basileum SI 84EC|BAY 77488|BAY sra 7502|Bayer 77488|Baythion|Benzeneacetonitrile, alpha-(((diethoxyphosphinothioyl)oxy)imino)-|Benzoyl cyanide O-(diethoxyphosphinothioyl)oxime|Caswell No. 902L|Diethoxyphosphinothioyloxyimino(phenyl)acetonitrile|EC No.: 238-887-3|EINECS 238-887-3|EPA Pesticide Chemical Code 598800|Folaton|Glyoxylonitrile, phenyl-, oxime O,O-diethyl phosphorothioate|O, O-Diethyl-O-(alpha-cyanobenzylideneamino) thiophosphate|O,O-Diaethyl-O-(alpha-cyanbenzyliden-amino)-thionphosphat|O,O-Diaethyl-O-(alpha-cyano-benzylidenamino)-monothiophosphat|O,O-Diethyl alp|1195303-43-5|29556-99-8|35915-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034324
ERPathway2016 ERPathway2016_211 Phoxim 14816-18-3 DTXSID8034324 Agonist ER Pathway Model, Agonist Model Score 0.156 Unitless CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1 Phoxim 14816-18-3|Phoxim|(Diethoxy-thiophosphoryloxyimino)-phenyl acetonitrile|2-(Diethoxyphosphinothioyloxyimino)-2-phenylacetonitrile|238-887-3|3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|3,5-Dioxa-6-aza-4-phosphaoct-6ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|4-Ethoxy-7-phenyl-3,5-dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile 4-sulfide|4,6-Dioxa-3-aza-5-phosphaoct-2-enenitrile, 5-ethoxy-2-phenyl-, 5-sulfide|Basileum SI|Basileum SI 84|Basileum SI 84EC|BAY 77488|BAY sra 7502|Bayer 77488|Baythion|Benzeneacetonitrile, alpha-(((diethoxyphosphinothioyl)oxy)imino)-|Benzoyl cyanide O-(diethoxyphosphinothioyl)oxime|Caswell No. 902L|Diethoxyphosphinothioyloxyimino(phenyl)acetonitrile|EC No.: 238-887-3|EINECS 238-887-3|EPA Pesticide Chemical Code 598800|Folaton|Glyoxylonitrile, phenyl-, oxime O,O-diethyl phosphorothioate|O, O-Diethyl-O-(alpha-cyanobenzylideneamino) thiophosphate|O,O-Diaethyl-O-(alpha-cyanbenzyliden-amino)-thionphosphat|O,O-Diaethyl-O-(alpha-cyano-benzylidenamino)-monothiophosphat|O,O-Diethyl alp|1195303-43-5|29556-99-8|35915-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034324
ERPathway2016 ERPathway2016_211 Phoxim 14816-18-3 DTXSID8034324 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1 Phoxim 14816-18-3|Phoxim|(Diethoxy-thiophosphoryloxyimino)-phenyl acetonitrile|2-(Diethoxyphosphinothioyloxyimino)-2-phenylacetonitrile|238-887-3|3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|3,5-Dioxa-6-aza-4-phosphaoct-6ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|4-Ethoxy-7-phenyl-3,5-dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile 4-sulfide|4,6-Dioxa-3-aza-5-phosphaoct-2-enenitrile, 5-ethoxy-2-phenyl-, 5-sulfide|Basileum SI|Basileum SI 84|Basileum SI 84EC|BAY 77488|BAY sra 7502|Bayer 77488|Baythion|Benzeneacetonitrile, alpha-(((diethoxyphosphinothioyl)oxy)imino)-|Benzoyl cyanide O-(diethoxyphosphinothioyl)oxime|Caswell No. 902L|Diethoxyphosphinothioyloxyimino(phenyl)acetonitrile|EC No.: 238-887-3|EINECS 238-887-3|EPA Pesticide Chemical Code 598800|Folaton|Glyoxylonitrile, phenyl-, oxime O,O-diethyl phosphorothioate|O, O-Diethyl-O-(alpha-cyanobenzylideneamino) thiophosphate|O,O-Diaethyl-O-(alpha-cyanbenzyliden-amino)-thionphosphat|O,O-Diaethyl-O-(alpha-cyano-benzylidenamino)-monothiophosphat|O,O-Diethyl alp|1195303-43-5|29556-99-8|35915-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034324
ERPathway2016 ERPathway2016_211 Phoxim 14816-18-3 DTXSID8034324 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1 Phoxim 14816-18-3|Phoxim|(Diethoxy-thiophosphoryloxyimino)-phenyl acetonitrile|2-(Diethoxyphosphinothioyloxyimino)-2-phenylacetonitrile|238-887-3|3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|3,5-Dioxa-6-aza-4-phosphaoct-6ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|4-Ethoxy-7-phenyl-3,5-dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile 4-sulfide|4,6-Dioxa-3-aza-5-phosphaoct-2-enenitrile, 5-ethoxy-2-phenyl-, 5-sulfide|Basileum SI|Basileum SI 84|Basileum SI 84EC|BAY 77488|BAY sra 7502|Bayer 77488|Baythion|Benzeneacetonitrile, alpha-(((diethoxyphosphinothioyl)oxy)imino)-|Benzoyl cyanide O-(diethoxyphosphinothioyl)oxime|Caswell No. 902L|Diethoxyphosphinothioyloxyimino(phenyl)acetonitrile|EC No.: 238-887-3|EINECS 238-887-3|EPA Pesticide Chemical Code 598800|Folaton|Glyoxylonitrile, phenyl-, oxime O,O-diethyl phosphorothioate|O, O-Diethyl-O-(alpha-cyanobenzylideneamino) thiophosphate|O,O-Diaethyl-O-(alpha-cyanbenzyliden-amino)-thionphosphat|O,O-Diaethyl-O-(alpha-cyano-benzylidenamino)-monothiophosphat|O,O-Diethyl alp|1195303-43-5|29556-99-8|35915-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034324
ERPathway2016 ERPathway2016_211 Phoxim 14816-18-3 DTXSID8034324 Agonist ER Pathway Model, Antagonist Call Active Unitless CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1 Phoxim 14816-18-3|Phoxim|(Diethoxy-thiophosphoryloxyimino)-phenyl acetonitrile|2-(Diethoxyphosphinothioyloxyimino)-2-phenylacetonitrile|238-887-3|3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|3,5-Dioxa-6-aza-4-phosphaoct-6ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide|4-Ethoxy-7-phenyl-3,5-dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile 4-sulfide|4,6-Dioxa-3-aza-5-phosphaoct-2-enenitrile, 5-ethoxy-2-phenyl-, 5-sulfide|Basileum SI|Basileum SI 84|Basileum SI 84EC|BAY 77488|BAY sra 7502|Bayer 77488|Baythion|Benzeneacetonitrile, alpha-(((diethoxyphosphinothioyl)oxy)imino)-|Benzoyl cyanide O-(diethoxyphosphinothioyl)oxime|Caswell No. 902L|Diethoxyphosphinothioyloxyimino(phenyl)acetonitrile|EC No.: 238-887-3|EINECS 238-887-3|EPA Pesticide Chemical Code 598800|Folaton|Glyoxylonitrile, phenyl-, oxime O,O-diethyl phosphorothioate|O, O-Diethyl-O-(alpha-cyanobenzylideneamino) thiophosphate|O,O-Diaethyl-O-(alpha-cyanbenzyliden-amino)-thionphosphat|O,O-Diaethyl-O-(alpha-cyano-benzylidenamino)-monothiophosphat|O,O-Diethyl alp|1195303-43-5|29556-99-8|35915-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034324
ARPathway2016 ARPathway2016_1647 Phthalimide 85-41-6 DTXSID3026514 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C1NC(=O)C2=C1C=CC=C2 Phthalimide 85-41-6|Phthalimide|1,2-Benzenedicarboximide|1,3-Dihydro-1,3-dioxoisoindole|1,3-Dioxo-1,3-dihydroisoindole|1,3-Isoindolinedione|1H-Isoindole-1,3(2H)-dione|2-Diazoindan-1,3-dione|5-21-10-00270|Benzoimide|BRN 0118522|EINECS 201-603-3|ftalimida|Ftalimmide|Isoindole-1,3-dione|Kladnoite|Levegal PEW-T|NSC 3108|o-Phthalic imide|Phenylimide|Phtalimide|Phthalic dicarboximide|Phthalimid|PI (Phthalimide)|UNII-1J6PQ7YI80 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026514
ARPathway2016 ARPathway2016_1647 Phthalimide 85-41-6 DTXSID3026514 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C1NC(=O)C2=C1C=CC=C2 Phthalimide 85-41-6|Phthalimide|1,2-Benzenedicarboximide|1,3-Dihydro-1,3-dioxoisoindole|1,3-Dioxo-1,3-dihydroisoindole|1,3-Isoindolinedione|1H-Isoindole-1,3(2H)-dione|2-Diazoindan-1,3-dione|5-21-10-00270|Benzoimide|BRN 0118522|EINECS 201-603-3|ftalimida|Ftalimmide|Isoindole-1,3-dione|Kladnoite|Levegal PEW-T|NSC 3108|o-Phthalic imide|Phenylimide|Phtalimide|Phthalic dicarboximide|Phthalimid|PI (Phthalimide)|UNII-1J6PQ7YI80 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026514
ARPathway2016 ARPathway2016_1647 Phthalimide 85-41-6 DTXSID3026514 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C1NC(=O)C2=C1C=CC=C2 Phthalimide 85-41-6|Phthalimide|1,2-Benzenedicarboximide|1,3-Dihydro-1,3-dioxoisoindole|1,3-Dioxo-1,3-dihydroisoindole|1,3-Isoindolinedione|1H-Isoindole-1,3(2H)-dione|2-Diazoindan-1,3-dione|5-21-10-00270|Benzoimide|BRN 0118522|EINECS 201-603-3|ftalimida|Ftalimmide|Isoindole-1,3-dione|Kladnoite|Levegal PEW-T|NSC 3108|o-Phthalic imide|Phenylimide|Phtalimide|Phthalic dicarboximide|Phthalimid|PI (Phthalimide)|UNII-1J6PQ7YI80 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026514
ARPathway2016 ARPathway2016_1647 Phthalimide 85-41-6 DTXSID3026514 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C1NC(=O)C2=C1C=CC=C2 Phthalimide 85-41-6|Phthalimide|1,2-Benzenedicarboximide|1,3-Dihydro-1,3-dioxoisoindole|1,3-Dioxo-1,3-dihydroisoindole|1,3-Isoindolinedione|1H-Isoindole-1,3(2H)-dione|2-Diazoindan-1,3-dione|5-21-10-00270|Benzoimide|BRN 0118522|EINECS 201-603-3|ftalimida|Ftalimmide|Isoindole-1,3-dione|Kladnoite|Levegal PEW-T|NSC 3108|o-Phthalic imide|Phenylimide|Phtalimide|Phthalic dicarboximide|Phthalimid|PI (Phthalimide)|UNII-1J6PQ7YI80 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026514
ERPathway2016 ERPathway2016_1704 Phthalimide 85-41-6 DTXSID3026514 ER Pathway Model, Agonist Model Score 0 Unitless O=C1NC(=O)C2=C1C=CC=C2 Phthalimide 85-41-6|Phthalimide|1,2-Benzenedicarboximide|1,3-Dihydro-1,3-dioxoisoindole|1,3-Dioxo-1,3-dihydroisoindole|1,3-Isoindolinedione|1H-Isoindole-1,3(2H)-dione|2-Diazoindan-1,3-dione|5-21-10-00270|Benzoimide|BRN 0118522|EINECS 201-603-3|ftalimida|Ftalimmide|Isoindole-1,3-dione|Kladnoite|Levegal PEW-T|NSC 3108|o-Phthalic imide|Phenylimide|Phtalimide|Phthalic dicarboximide|Phthalimid|PI (Phthalimide)|UNII-1J6PQ7YI80 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026514
ERPathway2016 ERPathway2016_1704 Phthalimide 85-41-6 DTXSID3026514 ER Pathway Model, Antagonist Model Score 0 Unitless O=C1NC(=O)C2=C1C=CC=C2 Phthalimide 85-41-6|Phthalimide|1,2-Benzenedicarboximide|1,3-Dihydro-1,3-dioxoisoindole|1,3-Dioxo-1,3-dihydroisoindole|1,3-Isoindolinedione|1H-Isoindole-1,3(2H)-dione|2-Diazoindan-1,3-dione|5-21-10-00270|Benzoimide|BRN 0118522|EINECS 201-603-3|ftalimida|Ftalimmide|Isoindole-1,3-dione|Kladnoite|Levegal PEW-T|NSC 3108|o-Phthalic imide|Phenylimide|Phtalimide|Phthalic dicarboximide|Phthalimid|PI (Phthalimide)|UNII-1J6PQ7YI80 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026514
ERPathway2016 ERPathway2016_1704 Phthalimide 85-41-6 DTXSID3026514 ER Pathway Model, Agonist Call Inactive Unitless O=C1NC(=O)C2=C1C=CC=C2 Phthalimide 85-41-6|Phthalimide|1,2-Benzenedicarboximide|1,3-Dihydro-1,3-dioxoisoindole|1,3-Dioxo-1,3-dihydroisoindole|1,3-Isoindolinedione|1H-Isoindole-1,3(2H)-dione|2-Diazoindan-1,3-dione|5-21-10-00270|Benzoimide|BRN 0118522|EINECS 201-603-3|ftalimida|Ftalimmide|Isoindole-1,3-dione|Kladnoite|Levegal PEW-T|NSC 3108|o-Phthalic imide|Phenylimide|Phtalimide|Phthalic dicarboximide|Phthalimid|PI (Phthalimide)|UNII-1J6PQ7YI80 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026514
ERPathway2016 ERPathway2016_1704 Phthalimide 85-41-6 DTXSID3026514 ER Pathway Model, Antagonist Call Inactive Unitless O=C1NC(=O)C2=C1C=CC=C2 Phthalimide 85-41-6|Phthalimide|1,2-Benzenedicarboximide|1,3-Dihydro-1,3-dioxoisoindole|1,3-Dioxo-1,3-dihydroisoindole|1,3-Isoindolinedione|1H-Isoindole-1,3(2H)-dione|2-Diazoindan-1,3-dione|5-21-10-00270|Benzoimide|BRN 0118522|EINECS 201-603-3|ftalimida|Ftalimmide|Isoindole-1,3-dione|Kladnoite|Levegal PEW-T|NSC 3108|o-Phthalic imide|Phenylimide|Phtalimide|Phthalic dicarboximide|Phthalimid|PI (Phthalimide)|UNII-1J6PQ7YI80 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026514
ARPathway2016 ARPathway2016_962 Picloram 1918-02-1 DTXSID1021160 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=C(Cl)C(Cl)=NC(C(O)=O)=C1Cl Picloram 1918-02-1|Picloram|2-Pyridine carboxylic acid, 4-amino-3,5,6-trichloro-|2-Pyridinecarboxylic acid, 4-amino-3,5,6-trichloro-|3,5,6-Trichloro-4-aminopicolinic acid|4-Amino-3,5,6-trichloro-2-picolinic acid|4-Amino-3,5,6-trichloro-2-pyridinecarboxylic acid|4-Amino-3,5,6-trichloropicolinic acid|4-Amino-3,5,6-trichloropyridine-2-carboxylic acid|4-Amino-3,5,6-trichlorpicolinsaeure|4-Amino-3,5,6-trichlorpyridin-2-carbonsaure|4-Aminotrichloropicolinic acid|5-22-13-00585|Acide 4-amino-3,5,6-trichloropyridine-2-carboxylique|Acido 2-piridinacarboxilico, 4-amino-3 ,5,6-tricloro -|acido 4-amino-3,5,6-tricloropiridina-2-carboxilico|Amdon grazon|Borolin|BRN 0479075|Caswell No. 039|EINECS 217-636-1|EPA Pesticide Chemical Code 005101|Grazon PC|NCI-C00237|NSC 233899|Padron|Padron (herbicide)|picloram|Piclorame|PICOLINIC ACID, 4-AMINO-3,5,6-TRICHLORO-|Tordon|UNII-O7437X49DW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021160 https://doi.org/10.22427/NTP-DATA-DTXSID1021160
ARPathway2016 ARPathway2016_962 Picloram 1918-02-1 DTXSID1021160 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC1=C(Cl)C(Cl)=NC(C(O)=O)=C1Cl Picloram 1918-02-1|Picloram|2-Pyridine carboxylic acid, 4-amino-3,5,6-trichloro-|2-Pyridinecarboxylic acid, 4-amino-3,5,6-trichloro-|3,5,6-Trichloro-4-aminopicolinic acid|4-Amino-3,5,6-trichloro-2-picolinic acid|4-Amino-3,5,6-trichloro-2-pyridinecarboxylic acid|4-Amino-3,5,6-trichloropicolinic acid|4-Amino-3,5,6-trichloropyridine-2-carboxylic acid|4-Amino-3,5,6-trichlorpicolinsaeure|4-Amino-3,5,6-trichlorpyridin-2-carbonsaure|4-Aminotrichloropicolinic acid|5-22-13-00585|Acide 4-amino-3,5,6-trichloropyridine-2-carboxylique|Acido 2-piridinacarboxilico, 4-amino-3 ,5,6-tricloro -|acido 4-amino-3,5,6-tricloropiridina-2-carboxilico|Amdon grazon|Borolin|BRN 0479075|Caswell No. 039|EINECS 217-636-1|EPA Pesticide Chemical Code 005101|Grazon PC|NCI-C00237|NSC 233899|Padron|Padron (herbicide)|picloram|Piclorame|PICOLINIC ACID, 4-AMINO-3,5,6-TRICHLORO-|Tordon|UNII-O7437X49DW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021160 https://doi.org/10.22427/NTP-DATA-DTXSID1021160
ARPathway2016 ARPathway2016_962 Picloram 1918-02-1 DTXSID1021160 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC1=C(Cl)C(Cl)=NC(C(O)=O)=C1Cl Picloram 1918-02-1|Picloram|2-Pyridine carboxylic acid, 4-amino-3,5,6-trichloro-|2-Pyridinecarboxylic acid, 4-amino-3,5,6-trichloro-|3,5,6-Trichloro-4-aminopicolinic acid|4-Amino-3,5,6-trichloro-2-picolinic acid|4-Amino-3,5,6-trichloro-2-pyridinecarboxylic acid|4-Amino-3,5,6-trichloropicolinic acid|4-Amino-3,5,6-trichloropyridine-2-carboxylic acid|4-Amino-3,5,6-trichlorpicolinsaeure|4-Amino-3,5,6-trichlorpyridin-2-carbonsaure|4-Aminotrichloropicolinic acid|5-22-13-00585|Acide 4-amino-3,5,6-trichloropyridine-2-carboxylique|Acido 2-piridinacarboxilico, 4-amino-3 ,5,6-tricloro -|acido 4-amino-3,5,6-tricloropiridina-2-carboxilico|Amdon grazon|Borolin|BRN 0479075|Caswell No. 039|EINECS 217-636-1|EPA Pesticide Chemical Code 005101|Grazon PC|NCI-C00237|NSC 233899|Padron|Padron (herbicide)|picloram|Piclorame|PICOLINIC ACID, 4-AMINO-3,5,6-TRICHLORO-|Tordon|UNII-O7437X49DW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021160 https://doi.org/10.22427/NTP-DATA-DTXSID1021160
ARPathway2016 ARPathway2016_962 Picloram 1918-02-1 DTXSID1021160 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC1=C(Cl)C(Cl)=NC(C(O)=O)=C1Cl Picloram 1918-02-1|Picloram|2-Pyridine carboxylic acid, 4-amino-3,5,6-trichloro-|2-Pyridinecarboxylic acid, 4-amino-3,5,6-trichloro-|3,5,6-Trichloro-4-aminopicolinic acid|4-Amino-3,5,6-trichloro-2-picolinic acid|4-Amino-3,5,6-trichloro-2-pyridinecarboxylic acid|4-Amino-3,5,6-trichloropicolinic acid|4-Amino-3,5,6-trichloropyridine-2-carboxylic acid|4-Amino-3,5,6-trichlorpicolinsaeure|4-Amino-3,5,6-trichlorpyridin-2-carbonsaure|4-Aminotrichloropicolinic acid|5-22-13-00585|Acide 4-amino-3,5,6-trichloropyridine-2-carboxylique|Acido 2-piridinacarboxilico, 4-amino-3 ,5,6-tricloro -|acido 4-amino-3,5,6-tricloropiridina-2-carboxilico|Amdon grazon|Borolin|BRN 0479075|Caswell No. 039|EINECS 217-636-1|EPA Pesticide Chemical Code 005101|Grazon PC|NCI-C00237|NSC 233899|Padron|Padron (herbicide)|picloram|Piclorame|PICOLINIC ACID, 4-AMINO-3,5,6-TRICHLORO-|Tordon|UNII-O7437X49DW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021160 https://doi.org/10.22427/NTP-DATA-DTXSID1021160
ERPathway2016 ERPathway2016_1362 Picloram 1918-02-1 DTXSID1021160 ER Pathway Model, Agonist Model Score 0 Unitless NC1=C(Cl)C(Cl)=NC(C(O)=O)=C1Cl Picloram 1918-02-1|Picloram|2-Pyridine carboxylic acid, 4-amino-3,5,6-trichloro-|2-Pyridinecarboxylic acid, 4-amino-3,5,6-trichloro-|3,5,6-Trichloro-4-aminopicolinic acid|4-Amino-3,5,6-trichloro-2-picolinic acid|4-Amino-3,5,6-trichloro-2-pyridinecarboxylic acid|4-Amino-3,5,6-trichloropicolinic acid|4-Amino-3,5,6-trichloropyridine-2-carboxylic acid|4-Amino-3,5,6-trichlorpicolinsaeure|4-Amino-3,5,6-trichlorpyridin-2-carbonsaure|4-Aminotrichloropicolinic acid|5-22-13-00585|Acide 4-amino-3,5,6-trichloropyridine-2-carboxylique|Acido 2-piridinacarboxilico, 4-amino-3 ,5,6-tricloro -|acido 4-amino-3,5,6-tricloropiridina-2-carboxilico|Amdon grazon|Borolin|BRN 0479075|Caswell No. 039|EINECS 217-636-1|EPA Pesticide Chemical Code 005101|Grazon PC|NCI-C00237|NSC 233899|Padron|Padron (herbicide)|picloram|Piclorame|PICOLINIC ACID, 4-AMINO-3,5,6-TRICHLORO-|Tordon|UNII-O7437X49DW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021160 https://doi.org/10.22427/NTP-DATA-DTXSID1021160
ERPathway2016 ERPathway2016_1362 Picloram 1918-02-1 DTXSID1021160 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=C(Cl)C(Cl)=NC(C(O)=O)=C1Cl Picloram 1918-02-1|Picloram|2-Pyridine carboxylic acid, 4-amino-3,5,6-trichloro-|2-Pyridinecarboxylic acid, 4-amino-3,5,6-trichloro-|3,5,6-Trichloro-4-aminopicolinic acid|4-Amino-3,5,6-trichloro-2-picolinic acid|4-Amino-3,5,6-trichloro-2-pyridinecarboxylic acid|4-Amino-3,5,6-trichloropicolinic acid|4-Amino-3,5,6-trichloropyridine-2-carboxylic acid|4-Amino-3,5,6-trichlorpicolinsaeure|4-Amino-3,5,6-trichlorpyridin-2-carbonsaure|4-Aminotrichloropicolinic acid|5-22-13-00585|Acide 4-amino-3,5,6-trichloropyridine-2-carboxylique|Acido 2-piridinacarboxilico, 4-amino-3 ,5,6-tricloro -|acido 4-amino-3,5,6-tricloropiridina-2-carboxilico|Amdon grazon|Borolin|BRN 0479075|Caswell No. 039|EINECS 217-636-1|EPA Pesticide Chemical Code 005101|Grazon PC|NCI-C00237|NSC 233899|Padron|Padron (herbicide)|picloram|Piclorame|PICOLINIC ACID, 4-AMINO-3,5,6-TRICHLORO-|Tordon|UNII-O7437X49DW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021160 https://doi.org/10.22427/NTP-DATA-DTXSID1021160
ERPathway2016 ERPathway2016_1362 Picloram 1918-02-1 DTXSID1021160 ER Pathway Model, Agonist Call Inactive Unitless NC1=C(Cl)C(Cl)=NC(C(O)=O)=C1Cl Picloram 1918-02-1|Picloram|2-Pyridine carboxylic acid, 4-amino-3,5,6-trichloro-|2-Pyridinecarboxylic acid, 4-amino-3,5,6-trichloro-|3,5,6-Trichloro-4-aminopicolinic acid|4-Amino-3,5,6-trichloro-2-picolinic acid|4-Amino-3,5,6-trichloro-2-pyridinecarboxylic acid|4-Amino-3,5,6-trichloropicolinic acid|4-Amino-3,5,6-trichloropyridine-2-carboxylic acid|4-Amino-3,5,6-trichlorpicolinsaeure|4-Amino-3,5,6-trichlorpyridin-2-carbonsaure|4-Aminotrichloropicolinic acid|5-22-13-00585|Acide 4-amino-3,5,6-trichloropyridine-2-carboxylique|Acido 2-piridinacarboxilico, 4-amino-3 ,5,6-tricloro -|acido 4-amino-3,5,6-tricloropiridina-2-carboxilico|Amdon grazon|Borolin|BRN 0479075|Caswell No. 039|EINECS 217-636-1|EPA Pesticide Chemical Code 005101|Grazon PC|NCI-C00237|NSC 233899|Padron|Padron (herbicide)|picloram|Piclorame|PICOLINIC ACID, 4-AMINO-3,5,6-TRICHLORO-|Tordon|UNII-O7437X49DW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021160 https://doi.org/10.22427/NTP-DATA-DTXSID1021160
ERPathway2016 ERPathway2016_1362 Picloram 1918-02-1 DTXSID1021160 ER Pathway Model, Antagonist Call Inactive Unitless NC1=C(Cl)C(Cl)=NC(C(O)=O)=C1Cl Picloram 1918-02-1|Picloram|2-Pyridine carboxylic acid, 4-amino-3,5,6-trichloro-|2-Pyridinecarboxylic acid, 4-amino-3,5,6-trichloro-|3,5,6-Trichloro-4-aminopicolinic acid|4-Amino-3,5,6-trichloro-2-picolinic acid|4-Amino-3,5,6-trichloro-2-pyridinecarboxylic acid|4-Amino-3,5,6-trichloropicolinic acid|4-Amino-3,5,6-trichloropyridine-2-carboxylic acid|4-Amino-3,5,6-trichlorpicolinsaeure|4-Amino-3,5,6-trichlorpyridin-2-carbonsaure|4-Aminotrichloropicolinic acid|5-22-13-00585|Acide 4-amino-3,5,6-trichloropyridine-2-carboxylique|Acido 2-piridinacarboxilico, 4-amino-3 ,5,6-tricloro -|acido 4-amino-3,5,6-tricloropiridina-2-carboxilico|Amdon grazon|Borolin|BRN 0479075|Caswell No. 039|EINECS 217-636-1|EPA Pesticide Chemical Code 005101|Grazon PC|NCI-C00237|NSC 233899|Padron|Padron (herbicide)|picloram|Piclorame|PICOLINIC ACID, 4-AMINO-3,5,6-TRICHLORO-|Tordon|UNII-O7437X49DW https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021160 https://doi.org/10.22427/NTP-DATA-DTXSID1021160
ARPathway2016 ARPathway2016_638 Picoxystrobin 117428-22-5 DTXSID9047542 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless COC=C(C(=O)OC)C1=C(COC2=NC(=CC=C2)C(F)(F)F)C=CC=C1 Picoxystrobin 117428-22-5|Picoxystrobin|601-478-9|Acanto|Acapela|Benzeneacetic acid, alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (alphaE)-|Benzeneacetic acid, a-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (E)-|Benzeneacetic acid, a- (methoxymethylene) - 2- [[[6- (trifluoromethyl) - 2- pyridinyl] oxy] methyl] - , methyl ester, (aE) -|DPX-YT669|EC No.: 601-478-9|Methyl (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)-2-pyridinyl]oxy}methyl)phenyl]-2-propenoate|methyl (2E)-3-methoxy-2-{2-[6-(trifluoromethyl)-2-pyridyloxymethyl]phenyl}acrylate|methyl (alphaE)-alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]benzeneacetate|Methyl (E)-2-{2-[6-(trifluoromethyl)pyridin-2yloxymethyl]phenyl} -3-methoxyacrylate|methyl (E)-3-methoxy-2-{2-[6-(trifluoromethyl)pyridin-2-yloxymethyl]phenyl}acrylate|picoxystrobin|UNII-62DH7GEL1P|ZEN 90160 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047542
ARPathway2016 ARPathway2016_638 Picoxystrobin 117428-22-5 DTXSID9047542 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless COC=C(C(=O)OC)C1=C(COC2=NC(=CC=C2)C(F)(F)F)C=CC=C1 Picoxystrobin 117428-22-5|Picoxystrobin|601-478-9|Acanto|Acapela|Benzeneacetic acid, alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (alphaE)-|Benzeneacetic acid, a-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (E)-|Benzeneacetic acid, a- (methoxymethylene) - 2- [[[6- (trifluoromethyl) - 2- pyridinyl] oxy] methyl] - , methyl ester, (aE) -|DPX-YT669|EC No.: 601-478-9|Methyl (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)-2-pyridinyl]oxy}methyl)phenyl]-2-propenoate|methyl (2E)-3-methoxy-2-{2-[6-(trifluoromethyl)-2-pyridyloxymethyl]phenyl}acrylate|methyl (alphaE)-alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]benzeneacetate|Methyl (E)-2-{2-[6-(trifluoromethyl)pyridin-2yloxymethyl]phenyl} -3-methoxyacrylate|methyl (E)-3-methoxy-2-{2-[6-(trifluoromethyl)pyridin-2-yloxymethyl]phenyl}acrylate|picoxystrobin|UNII-62DH7GEL1P|ZEN 90160 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047542
ARPathway2016 ARPathway2016_638 Picoxystrobin 117428-22-5 DTXSID9047542 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless COC=C(C(=O)OC)C1=C(COC2=NC(=CC=C2)C(F)(F)F)C=CC=C1 Picoxystrobin 117428-22-5|Picoxystrobin|601-478-9|Acanto|Acapela|Benzeneacetic acid, alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (alphaE)-|Benzeneacetic acid, a-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (E)-|Benzeneacetic acid, a- (methoxymethylene) - 2- [[[6- (trifluoromethyl) - 2- pyridinyl] oxy] methyl] - , methyl ester, (aE) -|DPX-YT669|EC No.: 601-478-9|Methyl (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)-2-pyridinyl]oxy}methyl)phenyl]-2-propenoate|methyl (2E)-3-methoxy-2-{2-[6-(trifluoromethyl)-2-pyridyloxymethyl]phenyl}acrylate|methyl (alphaE)-alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]benzeneacetate|Methyl (E)-2-{2-[6-(trifluoromethyl)pyridin-2yloxymethyl]phenyl} -3-methoxyacrylate|methyl (E)-3-methoxy-2-{2-[6-(trifluoromethyl)pyridin-2-yloxymethyl]phenyl}acrylate|picoxystrobin|UNII-62DH7GEL1P|ZEN 90160 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047542
ARPathway2016 ARPathway2016_638 Picoxystrobin 117428-22-5 DTXSID9047542 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless COC=C(C(=O)OC)C1=C(COC2=NC(=CC=C2)C(F)(F)F)C=CC=C1 Picoxystrobin 117428-22-5|Picoxystrobin|601-478-9|Acanto|Acapela|Benzeneacetic acid, alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (alphaE)-|Benzeneacetic acid, a-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (E)-|Benzeneacetic acid, a- (methoxymethylene) - 2- [[[6- (trifluoromethyl) - 2- pyridinyl] oxy] methyl] - , methyl ester, (aE) -|DPX-YT669|EC No.: 601-478-9|Methyl (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)-2-pyridinyl]oxy}methyl)phenyl]-2-propenoate|methyl (2E)-3-methoxy-2-{2-[6-(trifluoromethyl)-2-pyridyloxymethyl]phenyl}acrylate|methyl (alphaE)-alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]benzeneacetate|Methyl (E)-2-{2-[6-(trifluoromethyl)pyridin-2yloxymethyl]phenyl} -3-methoxyacrylate|methyl (E)-3-methoxy-2-{2-[6-(trifluoromethyl)pyridin-2-yloxymethyl]phenyl}acrylate|picoxystrobin|UNII-62DH7GEL1P|ZEN 90160 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047542
ERPathway2016 ERPathway2016_573 Picoxystrobin 117428-22-5 DTXSID9047542 ER Pathway Model, Agonist Model Score 0 Unitless COC=C(C(=O)OC)C1=C(COC2=NC(=CC=C2)C(F)(F)F)C=CC=C1 Picoxystrobin 117428-22-5|Picoxystrobin|601-478-9|Acanto|Acapela|Benzeneacetic acid, alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (alphaE)-|Benzeneacetic acid, a-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (E)-|Benzeneacetic acid, a- (methoxymethylene) - 2- [[[6- (trifluoromethyl) - 2- pyridinyl] oxy] methyl] - , methyl ester, (aE) -|DPX-YT669|EC No.: 601-478-9|Methyl (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)-2-pyridinyl]oxy}methyl)phenyl]-2-propenoate|methyl (2E)-3-methoxy-2-{2-[6-(trifluoromethyl)-2-pyridyloxymethyl]phenyl}acrylate|methyl (alphaE)-alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]benzeneacetate|Methyl (E)-2-{2-[6-(trifluoromethyl)pyridin-2yloxymethyl]phenyl} -3-methoxyacrylate|methyl (E)-3-methoxy-2-{2-[6-(trifluoromethyl)pyridin-2-yloxymethyl]phenyl}acrylate|picoxystrobin|UNII-62DH7GEL1P|ZEN 90160 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047542
ERPathway2016 ERPathway2016_573 Picoxystrobin 117428-22-5 DTXSID9047542 ER Pathway Model, Antagonist Model Score 0 Unitless COC=C(C(=O)OC)C1=C(COC2=NC(=CC=C2)C(F)(F)F)C=CC=C1 Picoxystrobin 117428-22-5|Picoxystrobin|601-478-9|Acanto|Acapela|Benzeneacetic acid, alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (alphaE)-|Benzeneacetic acid, a-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (E)-|Benzeneacetic acid, a- (methoxymethylene) - 2- [[[6- (trifluoromethyl) - 2- pyridinyl] oxy] methyl] - , methyl ester, (aE) -|DPX-YT669|EC No.: 601-478-9|Methyl (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)-2-pyridinyl]oxy}methyl)phenyl]-2-propenoate|methyl (2E)-3-methoxy-2-{2-[6-(trifluoromethyl)-2-pyridyloxymethyl]phenyl}acrylate|methyl (alphaE)-alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]benzeneacetate|Methyl (E)-2-{2-[6-(trifluoromethyl)pyridin-2yloxymethyl]phenyl} -3-methoxyacrylate|methyl (E)-3-methoxy-2-{2-[6-(trifluoromethyl)pyridin-2-yloxymethyl]phenyl}acrylate|picoxystrobin|UNII-62DH7GEL1P|ZEN 90160 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047542
ERPathway2016 ERPathway2016_573 Picoxystrobin 117428-22-5 DTXSID9047542 ER Pathway Model, Agonist Call Inactive Unitless COC=C(C(=O)OC)C1=C(COC2=NC(=CC=C2)C(F)(F)F)C=CC=C1 Picoxystrobin 117428-22-5|Picoxystrobin|601-478-9|Acanto|Acapela|Benzeneacetic acid, alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (alphaE)-|Benzeneacetic acid, a-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (E)-|Benzeneacetic acid, a- (methoxymethylene) - 2- [[[6- (trifluoromethyl) - 2- pyridinyl] oxy] methyl] - , methyl ester, (aE) -|DPX-YT669|EC No.: 601-478-9|Methyl (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)-2-pyridinyl]oxy}methyl)phenyl]-2-propenoate|methyl (2E)-3-methoxy-2-{2-[6-(trifluoromethyl)-2-pyridyloxymethyl]phenyl}acrylate|methyl (alphaE)-alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]benzeneacetate|Methyl (E)-2-{2-[6-(trifluoromethyl)pyridin-2yloxymethyl]phenyl} -3-methoxyacrylate|methyl (E)-3-methoxy-2-{2-[6-(trifluoromethyl)pyridin-2-yloxymethyl]phenyl}acrylate|picoxystrobin|UNII-62DH7GEL1P|ZEN 90160 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047542
ERPathway2016 ERPathway2016_573 Picoxystrobin 117428-22-5 DTXSID9047542 ER Pathway Model, Antagonist Call Inactive Unitless COC=C(C(=O)OC)C1=C(COC2=NC(=CC=C2)C(F)(F)F)C=CC=C1 Picoxystrobin 117428-22-5|Picoxystrobin|601-478-9|Acanto|Acapela|Benzeneacetic acid, alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (alphaE)-|Benzeneacetic acid, a-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (E)-|Benzeneacetic acid, a- (methoxymethylene) - 2- [[[6- (trifluoromethyl) - 2- pyridinyl] oxy] methyl] - , methyl ester, (aE) -|DPX-YT669|EC No.: 601-478-9|Methyl (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)-2-pyridinyl]oxy}methyl)phenyl]-2-propenoate|methyl (2E)-3-methoxy-2-{2-[6-(trifluoromethyl)-2-pyridyloxymethyl]phenyl}acrylate|methyl (alphaE)-alpha-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]benzeneacetate|Methyl (E)-2-{2-[6-(trifluoromethyl)pyridin-2yloxymethyl]phenyl} -3-methoxyacrylate|methyl (E)-3-methoxy-2-{2-[6-(trifluoromethyl)pyridin-2-yloxymethyl]phenyl}acrylate|picoxystrobin|UNII-62DH7GEL1P|ZEN 90160 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047542
ARPathway2016 ARPathway2016_611 Pioglitazone hydrochloride 112529-15-4 DTXSID3044203 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1 Pioglitazone hydrochloride 112529-15-4|Pioglitazone hydrochloride|2, 4- Thiazolidinedione, 5- [[4- [2- (5- ethyl- 2- pyridinyl) ethoxy] phenyl] methyl] - , hydrochloride (1:1)|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride, (+/-)-|5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]thiazolidine-2,4-dione hydrochloride|Actos|Glutazone|Pioglitazone HCl|pioglitazone hydrochloride|Piomed|Poze|U 72107A|UNII-JQT35NPK6C|127676-30-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3044203
ARPathway2016 ARPathway2016_611 Pioglitazone hydrochloride 112529-15-4 DTXSID3044203 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cl.CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1 Pioglitazone hydrochloride 112529-15-4|Pioglitazone hydrochloride|2, 4- Thiazolidinedione, 5- [[4- [2- (5- ethyl- 2- pyridinyl) ethoxy] phenyl] methyl] - , hydrochloride (1:1)|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride, (+/-)-|5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]thiazolidine-2,4-dione hydrochloride|Actos|Glutazone|Pioglitazone HCl|pioglitazone hydrochloride|Piomed|Poze|U 72107A|UNII-JQT35NPK6C|127676-30-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3044203
ARPathway2016 ARPathway2016_611 Pioglitazone hydrochloride 112529-15-4 DTXSID3044203 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cl.CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1 Pioglitazone hydrochloride 112529-15-4|Pioglitazone hydrochloride|2, 4- Thiazolidinedione, 5- [[4- [2- (5- ethyl- 2- pyridinyl) ethoxy] phenyl] methyl] - , hydrochloride (1:1)|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride, (+/-)-|5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]thiazolidine-2,4-dione hydrochloride|Actos|Glutazone|Pioglitazone HCl|pioglitazone hydrochloride|Piomed|Poze|U 72107A|UNII-JQT35NPK6C|127676-30-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3044203
ARPathway2016 ARPathway2016_611 Pioglitazone hydrochloride 112529-15-4 DTXSID3044203 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cl.CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1 Pioglitazone hydrochloride 112529-15-4|Pioglitazone hydrochloride|2, 4- Thiazolidinedione, 5- [[4- [2- (5- ethyl- 2- pyridinyl) ethoxy] phenyl] methyl] - , hydrochloride (1:1)|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride, (+/-)-|5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]thiazolidine-2,4-dione hydrochloride|Actos|Glutazone|Pioglitazone HCl|pioglitazone hydrochloride|Piomed|Poze|U 72107A|UNII-JQT35NPK6C|127676-30-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3044203
ERPathway2016 ERPathway2016_451 Pioglitazone hydrochloride 112529-15-4 DTXSID3044203 A13 ER Pathway Model, Antagonist AC50 44.1558658421354 uM Cl.CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1 Pioglitazone hydrochloride 112529-15-4|Pioglitazone hydrochloride|2, 4- Thiazolidinedione, 5- [[4- [2- (5- ethyl- 2- pyridinyl) ethoxy] phenyl] methyl] - , hydrochloride (1:1)|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride, (+/-)-|5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]thiazolidine-2,4-dione hydrochloride|Actos|Glutazone|Pioglitazone HCl|pioglitazone hydrochloride|Piomed|Poze|U 72107A|UNII-JQT35NPK6C|127676-30-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3044203
ERPathway2016 ERPathway2016_451 Pioglitazone hydrochloride 112529-15-4 DTXSID3044203 A13 ER Pathway Model, Antagonist ACC 34.6456193748897 uM Cl.CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1 Pioglitazone hydrochloride 112529-15-4|Pioglitazone hydrochloride|2, 4- Thiazolidinedione, 5- [[4- [2- (5- ethyl- 2- pyridinyl) ethoxy] phenyl] methyl] - , hydrochloride (1:1)|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride, (+/-)-|5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]thiazolidine-2,4-dione hydrochloride|Actos|Glutazone|Pioglitazone HCl|pioglitazone hydrochloride|Piomed|Poze|U 72107A|UNII-JQT35NPK6C|127676-30-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3044203
ERPathway2016 ERPathway2016_451 Pioglitazone hydrochloride 112529-15-4 DTXSID3044203 A13 ER Pathway Model, Agonist Model Score 0.00454 Unitless Cl.CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1 Pioglitazone hydrochloride 112529-15-4|Pioglitazone hydrochloride|2, 4- Thiazolidinedione, 5- [[4- [2- (5- ethyl- 2- pyridinyl) ethoxy] phenyl] methyl] - , hydrochloride (1:1)|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride, (+/-)-|5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]thiazolidine-2,4-dione hydrochloride|Actos|Glutazone|Pioglitazone HCl|pioglitazone hydrochloride|Piomed|Poze|U 72107A|UNII-JQT35NPK6C|127676-30-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3044203
ERPathway2016 ERPathway2016_451 Pioglitazone hydrochloride 112529-15-4 DTXSID3044203 A13 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1 Pioglitazone hydrochloride 112529-15-4|Pioglitazone hydrochloride|2, 4- Thiazolidinedione, 5- [[4- [2- (5- ethyl- 2- pyridinyl) ethoxy] phenyl] methyl] - , hydrochloride (1:1)|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride, (+/-)-|5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]thiazolidine-2,4-dione hydrochloride|Actos|Glutazone|Pioglitazone HCl|pioglitazone hydrochloride|Piomed|Poze|U 72107A|UNII-JQT35NPK6C|127676-30-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3044203
ERPathway2016 ERPathway2016_451 Pioglitazone hydrochloride 112529-15-4 DTXSID3044203 A13 ER Pathway Model, Agonist Call Inactive Unitless Cl.CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1 Pioglitazone hydrochloride 112529-15-4|Pioglitazone hydrochloride|2, 4- Thiazolidinedione, 5- [[4- [2- (5- ethyl- 2- pyridinyl) ethoxy] phenyl] methyl] - , hydrochloride (1:1)|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride, (+/-)-|5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]thiazolidine-2,4-dione hydrochloride|Actos|Glutazone|Pioglitazone HCl|pioglitazone hydrochloride|Piomed|Poze|U 72107A|UNII-JQT35NPK6C|127676-30-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3044203
ERPathway2016 ERPathway2016_451 Pioglitazone hydrochloride 112529-15-4 DTXSID3044203 A13 ER Pathway Model, Antagonist Call Active Unitless Cl.CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1 Pioglitazone hydrochloride 112529-15-4|Pioglitazone hydrochloride|2, 4- Thiazolidinedione, 5- [[4- [2- (5- ethyl- 2- pyridinyl) ethoxy] phenyl] methyl] - , hydrochloride (1:1)|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride|2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, monohydrochloride, (+/-)-|5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]thiazolidine-2,4-dione hydrochloride|Actos|Glutazone|Pioglitazone HCl|pioglitazone hydrochloride|Piomed|Poze|U 72107A|UNII-JQT35NPK6C|127676-30-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3044203
ARPathway2016 ARPathway2016_553 Piperazine 110-85-0 DTXSID1021164 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1CNCCN1 Piperazine 110-85-0|Piperazine|1,4-Diazacyclohexane|1,4-Diethylenediamine|1,4-Piperazine|203-808-3|5-23-01-00030|Antiren|Asca-Trol No. 3|BRN 0102555|Diethylenediamine|Diethyleneimine|Dispermine|EC No.: 203-808-3|EINECS 203-808-3|Eraverm|Hexahydro-1,4-diazine|Hexahydropirazine|Hexahydropyrazine|Lumbrical|NSC 474|Piperazidine|Piperazin|piperazina|Piperazine, anhydrous|Pipersol|Pyrazine hexahydride|Pyrazine, hexahydro-|UN 2579|UN 2685|UNII-1RTM4PAL0V|Worm-A-Ton|Wurmirazin|8017-90-1|8027-81-4|81546-15-8|854880-15-2|861800-35-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021164 https://doi.org/10.22427/NTP-DATA-DTXSID1021164
ARPathway2016 ARPathway2016_553 Piperazine 110-85-0 DTXSID1021164 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1CNCCN1 Piperazine 110-85-0|Piperazine|1,4-Diazacyclohexane|1,4-Diethylenediamine|1,4-Piperazine|203-808-3|5-23-01-00030|Antiren|Asca-Trol No. 3|BRN 0102555|Diethylenediamine|Diethyleneimine|Dispermine|EC No.: 203-808-3|EINECS 203-808-3|Eraverm|Hexahydro-1,4-diazine|Hexahydropirazine|Hexahydropyrazine|Lumbrical|NSC 474|Piperazidine|Piperazin|piperazina|Piperazine, anhydrous|Pipersol|Pyrazine hexahydride|Pyrazine, hexahydro-|UN 2579|UN 2685|UNII-1RTM4PAL0V|Worm-A-Ton|Wurmirazin|8017-90-1|8027-81-4|81546-15-8|854880-15-2|861800-35-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021164 https://doi.org/10.22427/NTP-DATA-DTXSID1021164
ARPathway2016 ARPathway2016_553 Piperazine 110-85-0 DTXSID1021164 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1CNCCN1 Piperazine 110-85-0|Piperazine|1,4-Diazacyclohexane|1,4-Diethylenediamine|1,4-Piperazine|203-808-3|5-23-01-00030|Antiren|Asca-Trol No. 3|BRN 0102555|Diethylenediamine|Diethyleneimine|Dispermine|EC No.: 203-808-3|EINECS 203-808-3|Eraverm|Hexahydro-1,4-diazine|Hexahydropirazine|Hexahydropyrazine|Lumbrical|NSC 474|Piperazidine|Piperazin|piperazina|Piperazine, anhydrous|Pipersol|Pyrazine hexahydride|Pyrazine, hexahydro-|UN 2579|UN 2685|UNII-1RTM4PAL0V|Worm-A-Ton|Wurmirazin|8017-90-1|8027-81-4|81546-15-8|854880-15-2|861800-35-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021164 https://doi.org/10.22427/NTP-DATA-DTXSID1021164
ARPathway2016 ARPathway2016_553 Piperazine 110-85-0 DTXSID1021164 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1CNCCN1 Piperazine 110-85-0|Piperazine|1,4-Diazacyclohexane|1,4-Diethylenediamine|1,4-Piperazine|203-808-3|5-23-01-00030|Antiren|Asca-Trol No. 3|BRN 0102555|Diethylenediamine|Diethyleneimine|Dispermine|EC No.: 203-808-3|EINECS 203-808-3|Eraverm|Hexahydro-1,4-diazine|Hexahydropirazine|Hexahydropyrazine|Lumbrical|NSC 474|Piperazidine|Piperazin|piperazina|Piperazine, anhydrous|Pipersol|Pyrazine hexahydride|Pyrazine, hexahydro-|UN 2579|UN 2685|UNII-1RTM4PAL0V|Worm-A-Ton|Wurmirazin|8017-90-1|8027-81-4|81546-15-8|854880-15-2|861800-35-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021164 https://doi.org/10.22427/NTP-DATA-DTXSID1021164
ERPathway2016 ERPathway2016_976 Piperazine 110-85-0 DTXSID1021164 ER Pathway Model, Agonist Model Score 0 Unitless C1CNCCN1 Piperazine 110-85-0|Piperazine|1,4-Diazacyclohexane|1,4-Diethylenediamine|1,4-Piperazine|203-808-3|5-23-01-00030|Antiren|Asca-Trol No. 3|BRN 0102555|Diethylenediamine|Diethyleneimine|Dispermine|EC No.: 203-808-3|EINECS 203-808-3|Eraverm|Hexahydro-1,4-diazine|Hexahydropirazine|Hexahydropyrazine|Lumbrical|NSC 474|Piperazidine|Piperazin|piperazina|Piperazine, anhydrous|Pipersol|Pyrazine hexahydride|Pyrazine, hexahydro-|UN 2579|UN 2685|UNII-1RTM4PAL0V|Worm-A-Ton|Wurmirazin|8017-90-1|8027-81-4|81546-15-8|854880-15-2|861800-35-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021164 https://doi.org/10.22427/NTP-DATA-DTXSID1021164
ERPathway2016 ERPathway2016_976 Piperazine 110-85-0 DTXSID1021164 ER Pathway Model, Antagonist Model Score 0 Unitless C1CNCCN1 Piperazine 110-85-0|Piperazine|1,4-Diazacyclohexane|1,4-Diethylenediamine|1,4-Piperazine|203-808-3|5-23-01-00030|Antiren|Asca-Trol No. 3|BRN 0102555|Diethylenediamine|Diethyleneimine|Dispermine|EC No.: 203-808-3|EINECS 203-808-3|Eraverm|Hexahydro-1,4-diazine|Hexahydropirazine|Hexahydropyrazine|Lumbrical|NSC 474|Piperazidine|Piperazin|piperazina|Piperazine, anhydrous|Pipersol|Pyrazine hexahydride|Pyrazine, hexahydro-|UN 2579|UN 2685|UNII-1RTM4PAL0V|Worm-A-Ton|Wurmirazin|8017-90-1|8027-81-4|81546-15-8|854880-15-2|861800-35-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021164 https://doi.org/10.22427/NTP-DATA-DTXSID1021164
ERPathway2016 ERPathway2016_976 Piperazine 110-85-0 DTXSID1021164 ER Pathway Model, Agonist Call Inactive Unitless C1CNCCN1 Piperazine 110-85-0|Piperazine|1,4-Diazacyclohexane|1,4-Diethylenediamine|1,4-Piperazine|203-808-3|5-23-01-00030|Antiren|Asca-Trol No. 3|BRN 0102555|Diethylenediamine|Diethyleneimine|Dispermine|EC No.: 203-808-3|EINECS 203-808-3|Eraverm|Hexahydro-1,4-diazine|Hexahydropirazine|Hexahydropyrazine|Lumbrical|NSC 474|Piperazidine|Piperazin|piperazina|Piperazine, anhydrous|Pipersol|Pyrazine hexahydride|Pyrazine, hexahydro-|UN 2579|UN 2685|UNII-1RTM4PAL0V|Worm-A-Ton|Wurmirazin|8017-90-1|8027-81-4|81546-15-8|854880-15-2|861800-35-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021164 https://doi.org/10.22427/NTP-DATA-DTXSID1021164
ERPathway2016 ERPathway2016_976 Piperazine 110-85-0 DTXSID1021164 ER Pathway Model, Antagonist Call Inactive Unitless C1CNCCN1 Piperazine 110-85-0|Piperazine|1,4-Diazacyclohexane|1,4-Diethylenediamine|1,4-Piperazine|203-808-3|5-23-01-00030|Antiren|Asca-Trol No. 3|BRN 0102555|Diethylenediamine|Diethyleneimine|Dispermine|EC No.: 203-808-3|EINECS 203-808-3|Eraverm|Hexahydro-1,4-diazine|Hexahydropirazine|Hexahydropyrazine|Lumbrical|NSC 474|Piperazidine|Piperazin|piperazina|Piperazine, anhydrous|Pipersol|Pyrazine hexahydride|Pyrazine, hexahydro-|UN 2579|UN 2685|UNII-1RTM4PAL0V|Worm-A-Ton|Wurmirazin|8017-90-1|8027-81-4|81546-15-8|854880-15-2|861800-35-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021164 https://doi.org/10.22427/NTP-DATA-DTXSID1021164
ARPathway2016 ARPathway2016_1251 Piperonyl butoxide 51-03-6 DTXSID1021166 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC Piperonyl butoxide 51-03-6|Piperonyl butoxide|(3,4-methylenedioxy-6-propylbenzyl) (butyl) diethylene glycol ether|(butylcarbityl)(6-propylpiperonyl)ether|1,3-Benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl-|2-(2-butoxietoxi)etil 6-propilpiperonil eter|2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether|2-(2-Butoxyethoxy)ethyl-6-propylpiperonylether|200-076-7|3, 4-Methylenedioxy-6-propylbenzyl butyl diethyleneglycol ether|3,4-Methylendioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|3,4-METHYLENE DIOXY-6-PROPYLBENZYLDIETHYLENE GLYCOL BUTYL ETHER|3,4-Methylenedioxy-6-propylbenzyl n-butyl diethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl n-butyldiethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|4-19-00-00779|5-((2-(2-Butoxyethoxy)ethoxy)methyl)-6-propyl-1,3-benzodioxole|5-[[2-(2-Butoxyethoxy)ethoxy]methyl]-6-propyl-1,3-benzodioxole|5-Propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxol|5-propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxole|6-(Propylpiperonyl)-butyl carbityl ether|6-(Propylpiperonyl)butylcarbityl |12750-92-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021166 https://doi.org/10.22427/NTP-DATA-DTXSID1021166
ARPathway2016 ARPathway2016_1251 Piperonyl butoxide 51-03-6 DTXSID1021166 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC Piperonyl butoxide 51-03-6|Piperonyl butoxide|(3,4-methylenedioxy-6-propylbenzyl) (butyl) diethylene glycol ether|(butylcarbityl)(6-propylpiperonyl)ether|1,3-Benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl-|2-(2-butoxietoxi)etil 6-propilpiperonil eter|2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether|2-(2-Butoxyethoxy)ethyl-6-propylpiperonylether|200-076-7|3, 4-Methylenedioxy-6-propylbenzyl butyl diethyleneglycol ether|3,4-Methylendioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|3,4-METHYLENE DIOXY-6-PROPYLBENZYLDIETHYLENE GLYCOL BUTYL ETHER|3,4-Methylenedioxy-6-propylbenzyl n-butyl diethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl n-butyldiethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|4-19-00-00779|5-((2-(2-Butoxyethoxy)ethoxy)methyl)-6-propyl-1,3-benzodioxole|5-[[2-(2-Butoxyethoxy)ethoxy]methyl]-6-propyl-1,3-benzodioxole|5-Propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxol|5-propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxole|6-(Propylpiperonyl)-butyl carbityl ether|6-(Propylpiperonyl)butylcarbityl |12750-92-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021166 https://doi.org/10.22427/NTP-DATA-DTXSID1021166
ARPathway2016 ARPathway2016_1251 Piperonyl butoxide 51-03-6 DTXSID1021166 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC Piperonyl butoxide 51-03-6|Piperonyl butoxide|(3,4-methylenedioxy-6-propylbenzyl) (butyl) diethylene glycol ether|(butylcarbityl)(6-propylpiperonyl)ether|1,3-Benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl-|2-(2-butoxietoxi)etil 6-propilpiperonil eter|2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether|2-(2-Butoxyethoxy)ethyl-6-propylpiperonylether|200-076-7|3, 4-Methylenedioxy-6-propylbenzyl butyl diethyleneglycol ether|3,4-Methylendioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|3,4-METHYLENE DIOXY-6-PROPYLBENZYLDIETHYLENE GLYCOL BUTYL ETHER|3,4-Methylenedioxy-6-propylbenzyl n-butyl diethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl n-butyldiethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|4-19-00-00779|5-((2-(2-Butoxyethoxy)ethoxy)methyl)-6-propyl-1,3-benzodioxole|5-[[2-(2-Butoxyethoxy)ethoxy]methyl]-6-propyl-1,3-benzodioxole|5-Propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxol|5-propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxole|6-(Propylpiperonyl)-butyl carbityl ether|6-(Propylpiperonyl)butylcarbityl |12750-92-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021166 https://doi.org/10.22427/NTP-DATA-DTXSID1021166
ARPathway2016 ARPathway2016_1251 Piperonyl butoxide 51-03-6 DTXSID1021166 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC Piperonyl butoxide 51-03-6|Piperonyl butoxide|(3,4-methylenedioxy-6-propylbenzyl) (butyl) diethylene glycol ether|(butylcarbityl)(6-propylpiperonyl)ether|1,3-Benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl-|2-(2-butoxietoxi)etil 6-propilpiperonil eter|2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether|2-(2-Butoxyethoxy)ethyl-6-propylpiperonylether|200-076-7|3, 4-Methylenedioxy-6-propylbenzyl butyl diethyleneglycol ether|3,4-Methylendioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|3,4-METHYLENE DIOXY-6-PROPYLBENZYLDIETHYLENE GLYCOL BUTYL ETHER|3,4-Methylenedioxy-6-propylbenzyl n-butyl diethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl n-butyldiethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|4-19-00-00779|5-((2-(2-Butoxyethoxy)ethoxy)methyl)-6-propyl-1,3-benzodioxole|5-[[2-(2-Butoxyethoxy)ethoxy]methyl]-6-propyl-1,3-benzodioxole|5-Propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxol|5-propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxole|6-(Propylpiperonyl)-butyl carbityl ether|6-(Propylpiperonyl)butylcarbityl |12750-92-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021166 https://doi.org/10.22427/NTP-DATA-DTXSID1021166
ERPathway2016 ERPathway2016_473 Piperonyl butoxide 51-03-6 DTXSID1021166 ER Pathway Model, Antagonist AC50 23.6551584015404 uM CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC Piperonyl butoxide 51-03-6|Piperonyl butoxide|(3,4-methylenedioxy-6-propylbenzyl) (butyl) diethylene glycol ether|(butylcarbityl)(6-propylpiperonyl)ether|1,3-Benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl-|2-(2-butoxietoxi)etil 6-propilpiperonil eter|2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether|2-(2-Butoxyethoxy)ethyl-6-propylpiperonylether|200-076-7|3, 4-Methylenedioxy-6-propylbenzyl butyl diethyleneglycol ether|3,4-Methylendioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|3,4-METHYLENE DIOXY-6-PROPYLBENZYLDIETHYLENE GLYCOL BUTYL ETHER|3,4-Methylenedioxy-6-propylbenzyl n-butyl diethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl n-butyldiethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|4-19-00-00779|5-((2-(2-Butoxyethoxy)ethoxy)methyl)-6-propyl-1,3-benzodioxole|5-[[2-(2-Butoxyethoxy)ethoxy]methyl]-6-propyl-1,3-benzodioxole|5-Propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxol|5-propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxole|6-(Propylpiperonyl)-butyl carbityl ether|6-(Propylpiperonyl)butylcarbityl |12750-92-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021166 https://doi.org/10.22427/NTP-DATA-DTXSID1021166
ERPathway2016 ERPathway2016_473 Piperonyl butoxide 51-03-6 DTXSID1021166 ER Pathway Model, Antagonist ACC 17.9316780462754 uM CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC Piperonyl butoxide 51-03-6|Piperonyl butoxide|(3,4-methylenedioxy-6-propylbenzyl) (butyl) diethylene glycol ether|(butylcarbityl)(6-propylpiperonyl)ether|1,3-Benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl-|2-(2-butoxietoxi)etil 6-propilpiperonil eter|2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether|2-(2-Butoxyethoxy)ethyl-6-propylpiperonylether|200-076-7|3, 4-Methylenedioxy-6-propylbenzyl butyl diethyleneglycol ether|3,4-Methylendioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|3,4-METHYLENE DIOXY-6-PROPYLBENZYLDIETHYLENE GLYCOL BUTYL ETHER|3,4-Methylenedioxy-6-propylbenzyl n-butyl diethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl n-butyldiethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|4-19-00-00779|5-((2-(2-Butoxyethoxy)ethoxy)methyl)-6-propyl-1,3-benzodioxole|5-[[2-(2-Butoxyethoxy)ethoxy]methyl]-6-propyl-1,3-benzodioxole|5-Propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxol|5-propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxole|6-(Propylpiperonyl)-butyl carbityl ether|6-(Propylpiperonyl)butylcarbityl |12750-92-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021166 https://doi.org/10.22427/NTP-DATA-DTXSID1021166
ERPathway2016 ERPathway2016_473 Piperonyl butoxide 51-03-6 DTXSID1021166 ER Pathway Model, Agonist Model Score 0.00231 Unitless CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC Piperonyl butoxide 51-03-6|Piperonyl butoxide|(3,4-methylenedioxy-6-propylbenzyl) (butyl) diethylene glycol ether|(butylcarbityl)(6-propylpiperonyl)ether|1,3-Benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl-|2-(2-butoxietoxi)etil 6-propilpiperonil eter|2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether|2-(2-Butoxyethoxy)ethyl-6-propylpiperonylether|200-076-7|3, 4-Methylenedioxy-6-propylbenzyl butyl diethyleneglycol ether|3,4-Methylendioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|3,4-METHYLENE DIOXY-6-PROPYLBENZYLDIETHYLENE GLYCOL BUTYL ETHER|3,4-Methylenedioxy-6-propylbenzyl n-butyl diethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl n-butyldiethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|4-19-00-00779|5-((2-(2-Butoxyethoxy)ethoxy)methyl)-6-propyl-1,3-benzodioxole|5-[[2-(2-Butoxyethoxy)ethoxy]methyl]-6-propyl-1,3-benzodioxole|5-Propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxol|5-propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxole|6-(Propylpiperonyl)-butyl carbityl ether|6-(Propylpiperonyl)butylcarbityl |12750-92-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021166 https://doi.org/10.22427/NTP-DATA-DTXSID1021166
ERPathway2016 ERPathway2016_473 Piperonyl butoxide 51-03-6 DTXSID1021166 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC Piperonyl butoxide 51-03-6|Piperonyl butoxide|(3,4-methylenedioxy-6-propylbenzyl) (butyl) diethylene glycol ether|(butylcarbityl)(6-propylpiperonyl)ether|1,3-Benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl-|2-(2-butoxietoxi)etil 6-propilpiperonil eter|2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether|2-(2-Butoxyethoxy)ethyl-6-propylpiperonylether|200-076-7|3, 4-Methylenedioxy-6-propylbenzyl butyl diethyleneglycol ether|3,4-Methylendioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|3,4-METHYLENE DIOXY-6-PROPYLBENZYLDIETHYLENE GLYCOL BUTYL ETHER|3,4-Methylenedioxy-6-propylbenzyl n-butyl diethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl n-butyldiethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|4-19-00-00779|5-((2-(2-Butoxyethoxy)ethoxy)methyl)-6-propyl-1,3-benzodioxole|5-[[2-(2-Butoxyethoxy)ethoxy]methyl]-6-propyl-1,3-benzodioxole|5-Propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxol|5-propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxole|6-(Propylpiperonyl)-butyl carbityl ether|6-(Propylpiperonyl)butylcarbityl |12750-92-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021166 https://doi.org/10.22427/NTP-DATA-DTXSID1021166
ERPathway2016 ERPathway2016_473 Piperonyl butoxide 51-03-6 DTXSID1021166 ER Pathway Model, Agonist Call Inactive Unitless CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC Piperonyl butoxide 51-03-6|Piperonyl butoxide|(3,4-methylenedioxy-6-propylbenzyl) (butyl) diethylene glycol ether|(butylcarbityl)(6-propylpiperonyl)ether|1,3-Benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl-|2-(2-butoxietoxi)etil 6-propilpiperonil eter|2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether|2-(2-Butoxyethoxy)ethyl-6-propylpiperonylether|200-076-7|3, 4-Methylenedioxy-6-propylbenzyl butyl diethyleneglycol ether|3,4-Methylendioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|3,4-METHYLENE DIOXY-6-PROPYLBENZYLDIETHYLENE GLYCOL BUTYL ETHER|3,4-Methylenedioxy-6-propylbenzyl n-butyl diethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl n-butyldiethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|4-19-00-00779|5-((2-(2-Butoxyethoxy)ethoxy)methyl)-6-propyl-1,3-benzodioxole|5-[[2-(2-Butoxyethoxy)ethoxy]methyl]-6-propyl-1,3-benzodioxole|5-Propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxol|5-propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxole|6-(Propylpiperonyl)-butyl carbityl ether|6-(Propylpiperonyl)butylcarbityl |12750-92-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021166 https://doi.org/10.22427/NTP-DATA-DTXSID1021166
ERPathway2016 ERPathway2016_473 Piperonyl butoxide 51-03-6 DTXSID1021166 ER Pathway Model, Antagonist Call Active Unitless CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC Piperonyl butoxide 51-03-6|Piperonyl butoxide|(3,4-methylenedioxy-6-propylbenzyl) (butyl) diethylene glycol ether|(butylcarbityl)(6-propylpiperonyl)ether|1,3-Benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl-|2-(2-butoxietoxi)etil 6-propilpiperonil eter|2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether|2-(2-Butoxyethoxy)ethyl-6-propylpiperonylether|200-076-7|3, 4-Methylenedioxy-6-propylbenzyl butyl diethyleneglycol ether|3,4-Methylendioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|3,4-METHYLENE DIOXY-6-PROPYLBENZYLDIETHYLENE GLYCOL BUTYL ETHER|3,4-Methylenedioxy-6-propylbenzyl n-butyl diethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl n-butyldiethyleneglycol ether|3,4-Methylenedioxy-6-propylbenzyl-n-butyl-diaethylenglykolaether|4-19-00-00779|5-((2-(2-Butoxyethoxy)ethoxy)methyl)-6-propyl-1,3-benzodioxole|5-[[2-(2-Butoxyethoxy)ethoxy]methyl]-6-propyl-1,3-benzodioxole|5-Propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxol|5-propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxole|6-(Propylpiperonyl)-butyl carbityl ether|6-(Propylpiperonyl)butylcarbityl |12750-92-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021166 https://doi.org/10.22427/NTP-DATA-DTXSID1021166
ARPathway2016 ARPathway2016_1411 Piragliatin 625114-41-2 DTXSID3048520 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CS(=O)(=O)C1=CC=C(C=C1Cl)[C@@H](C[C@H]1CCC(=O)C1)C(=O)NC1=NC=CN=C1 Piragliatin 625114-41-2|Piragliatin|UNII-BM1HR7IP1L https://comptox.epa.gov/dashboard/chemical/details/DTXSID3048520
ARPathway2016 ARPathway2016_1411 Piragliatin 625114-41-2 DTXSID3048520 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CS(=O)(=O)C1=CC=C(C=C1Cl)[C@@H](C[C@H]1CCC(=O)C1)C(=O)NC1=NC=CN=C1 Piragliatin 625114-41-2|Piragliatin|UNII-BM1HR7IP1L https://comptox.epa.gov/dashboard/chemical/details/DTXSID3048520
ARPathway2016 ARPathway2016_1411 Piragliatin 625114-41-2 DTXSID3048520 0.0 AR Pathway Model, Agonist Call Inactive Unitless CS(=O)(=O)C1=CC=C(C=C1Cl)[C@@H](C[C@H]1CCC(=O)C1)C(=O)NC1=NC=CN=C1 Piragliatin 625114-41-2|Piragliatin|UNII-BM1HR7IP1L https://comptox.epa.gov/dashboard/chemical/details/DTXSID3048520
ARPathway2016 ARPathway2016_1411 Piragliatin 625114-41-2 DTXSID3048520 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CS(=O)(=O)C1=CC=C(C=C1Cl)[C@@H](C[C@H]1CCC(=O)C1)C(=O)NC1=NC=CN=C1 Piragliatin 625114-41-2|Piragliatin|UNII-BM1HR7IP1L https://comptox.epa.gov/dashboard/chemical/details/DTXSID3048520
ARPathway2016 ARPathway2016_1018 Pirimicarb 23103-98-2 DTXSID1032569 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(=O)OC1=C(C)C(C)=NC(=N1)N(C)C Pirimicarb 23103-98-2|Pirimicarb|2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate|2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyldimethylcarbamate|2-Dimethylamino-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate|2-Dimethylamino-5,6-dimethylpyrimidin-4-yl dimethylcarbamate|2-Dimethylamino-5,6-dimethylpyrimidin-4-yl N,N-dimethylcarbamate|4-Pyrimidinol, 2-(dimethylamino)-5,6-dimethyl-, dimethylcarbamate (ester)|5-25-13-00063|5,6-Dimethyl-2-dimethylamino-4-dimethylcarbamoyloxypyrimidine|5,6-Dimethyl-2-dimethylamino-4-pyrimidinyldimethylcarbamate|5,6-Dwumetylo-2-dwumetyloamino-4-pirimidynylodwukarbaminian|Aficida|BRN 0663442|Carbamic acid, dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|Carbamic acid, N,N-dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|Caswell No. 359C|Dimethylcarbamic acid 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|EINECS 245-430-1|EPA Pesticide Chemical Code 106101|pirimicarbe|Pirimix|Pirimor|Pirimor 50 DP|Pirimor G|Pirimor Granulate|Primicarbe|Pyrimor|UNII-1I93PS935T https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032569
ARPathway2016 ARPathway2016_1018 Pirimicarb 23103-98-2 DTXSID1032569 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C(=O)OC1=C(C)C(C)=NC(=N1)N(C)C Pirimicarb 23103-98-2|Pirimicarb|2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate|2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyldimethylcarbamate|2-Dimethylamino-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate|2-Dimethylamino-5,6-dimethylpyrimidin-4-yl dimethylcarbamate|2-Dimethylamino-5,6-dimethylpyrimidin-4-yl N,N-dimethylcarbamate|4-Pyrimidinol, 2-(dimethylamino)-5,6-dimethyl-, dimethylcarbamate (ester)|5-25-13-00063|5,6-Dimethyl-2-dimethylamino-4-dimethylcarbamoyloxypyrimidine|5,6-Dimethyl-2-dimethylamino-4-pyrimidinyldimethylcarbamate|5,6-Dwumetylo-2-dwumetyloamino-4-pirimidynylodwukarbaminian|Aficida|BRN 0663442|Carbamic acid, dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|Carbamic acid, N,N-dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|Caswell No. 359C|Dimethylcarbamic acid 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|EINECS 245-430-1|EPA Pesticide Chemical Code 106101|pirimicarbe|Pirimix|Pirimor|Pirimor 50 DP|Pirimor G|Pirimor Granulate|Primicarbe|Pyrimor|UNII-1I93PS935T https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032569
ARPathway2016 ARPathway2016_1018 Pirimicarb 23103-98-2 DTXSID1032569 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN(C)C(=O)OC1=C(C)C(C)=NC(=N1)N(C)C Pirimicarb 23103-98-2|Pirimicarb|2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate|2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyldimethylcarbamate|2-Dimethylamino-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate|2-Dimethylamino-5,6-dimethylpyrimidin-4-yl dimethylcarbamate|2-Dimethylamino-5,6-dimethylpyrimidin-4-yl N,N-dimethylcarbamate|4-Pyrimidinol, 2-(dimethylamino)-5,6-dimethyl-, dimethylcarbamate (ester)|5-25-13-00063|5,6-Dimethyl-2-dimethylamino-4-dimethylcarbamoyloxypyrimidine|5,6-Dimethyl-2-dimethylamino-4-pyrimidinyldimethylcarbamate|5,6-Dwumetylo-2-dwumetyloamino-4-pirimidynylodwukarbaminian|Aficida|BRN 0663442|Carbamic acid, dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|Carbamic acid, N,N-dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|Caswell No. 359C|Dimethylcarbamic acid 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|EINECS 245-430-1|EPA Pesticide Chemical Code 106101|pirimicarbe|Pirimix|Pirimor|Pirimor 50 DP|Pirimor G|Pirimor Granulate|Primicarbe|Pyrimor|UNII-1I93PS935T https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032569
ARPathway2016 ARPathway2016_1018 Pirimicarb 23103-98-2 DTXSID1032569 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C(=O)OC1=C(C)C(C)=NC(=N1)N(C)C Pirimicarb 23103-98-2|Pirimicarb|2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate|2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyldimethylcarbamate|2-Dimethylamino-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate|2-Dimethylamino-5,6-dimethylpyrimidin-4-yl dimethylcarbamate|2-Dimethylamino-5,6-dimethylpyrimidin-4-yl N,N-dimethylcarbamate|4-Pyrimidinol, 2-(dimethylamino)-5,6-dimethyl-, dimethylcarbamate (ester)|5-25-13-00063|5,6-Dimethyl-2-dimethylamino-4-dimethylcarbamoyloxypyrimidine|5,6-Dimethyl-2-dimethylamino-4-pyrimidinyldimethylcarbamate|5,6-Dwumetylo-2-dwumetyloamino-4-pirimidynylodwukarbaminian|Aficida|BRN 0663442|Carbamic acid, dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|Carbamic acid, N,N-dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|Caswell No. 359C|Dimethylcarbamic acid 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|EINECS 245-430-1|EPA Pesticide Chemical Code 106101|pirimicarbe|Pirimix|Pirimor|Pirimor 50 DP|Pirimor G|Pirimor Granulate|Primicarbe|Pyrimor|UNII-1I93PS935T https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032569
ERPathway2016 ERPathway2016_1386 Pirimicarb 23103-98-2 DTXSID1032569 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)C(=O)OC1=C(C)C(C)=NC(=N1)N(C)C Pirimicarb 23103-98-2|Pirimicarb|2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate|2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyldimethylcarbamate|2-Dimethylamino-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate|2-Dimethylamino-5,6-dimethylpyrimidin-4-yl dimethylcarbamate|2-Dimethylamino-5,6-dimethylpyrimidin-4-yl N,N-dimethylcarbamate|4-Pyrimidinol, 2-(dimethylamino)-5,6-dimethyl-, dimethylcarbamate (ester)|5-25-13-00063|5,6-Dimethyl-2-dimethylamino-4-dimethylcarbamoyloxypyrimidine|5,6-Dimethyl-2-dimethylamino-4-pyrimidinyldimethylcarbamate|5,6-Dwumetylo-2-dwumetyloamino-4-pirimidynylodwukarbaminian|Aficida|BRN 0663442|Carbamic acid, dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|Carbamic acid, N,N-dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|Caswell No. 359C|Dimethylcarbamic acid 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|EINECS 245-430-1|EPA Pesticide Chemical Code 106101|pirimicarbe|Pirimix|Pirimor|Pirimor 50 DP|Pirimor G|Pirimor Granulate|Primicarbe|Pyrimor|UNII-1I93PS935T https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032569
ERPathway2016 ERPathway2016_1386 Pirimicarb 23103-98-2 DTXSID1032569 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(=O)OC1=C(C)C(C)=NC(=N1)N(C)C Pirimicarb 23103-98-2|Pirimicarb|2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate|2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyldimethylcarbamate|2-Dimethylamino-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate|2-Dimethylamino-5,6-dimethylpyrimidin-4-yl dimethylcarbamate|2-Dimethylamino-5,6-dimethylpyrimidin-4-yl N,N-dimethylcarbamate|4-Pyrimidinol, 2-(dimethylamino)-5,6-dimethyl-, dimethylcarbamate (ester)|5-25-13-00063|5,6-Dimethyl-2-dimethylamino-4-dimethylcarbamoyloxypyrimidine|5,6-Dimethyl-2-dimethylamino-4-pyrimidinyldimethylcarbamate|5,6-Dwumetylo-2-dwumetyloamino-4-pirimidynylodwukarbaminian|Aficida|BRN 0663442|Carbamic acid, dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|Carbamic acid, N,N-dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|Caswell No. 359C|Dimethylcarbamic acid 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|EINECS 245-430-1|EPA Pesticide Chemical Code 106101|pirimicarbe|Pirimix|Pirimor|Pirimor 50 DP|Pirimor G|Pirimor Granulate|Primicarbe|Pyrimor|UNII-1I93PS935T https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032569
ERPathway2016 ERPathway2016_1386 Pirimicarb 23103-98-2 DTXSID1032569 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C(=O)OC1=C(C)C(C)=NC(=N1)N(C)C Pirimicarb 23103-98-2|Pirimicarb|2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate|2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyldimethylcarbamate|2-Dimethylamino-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate|2-Dimethylamino-5,6-dimethylpyrimidin-4-yl dimethylcarbamate|2-Dimethylamino-5,6-dimethylpyrimidin-4-yl N,N-dimethylcarbamate|4-Pyrimidinol, 2-(dimethylamino)-5,6-dimethyl-, dimethylcarbamate (ester)|5-25-13-00063|5,6-Dimethyl-2-dimethylamino-4-dimethylcarbamoyloxypyrimidine|5,6-Dimethyl-2-dimethylamino-4-pyrimidinyldimethylcarbamate|5,6-Dwumetylo-2-dwumetyloamino-4-pirimidynylodwukarbaminian|Aficida|BRN 0663442|Carbamic acid, dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|Carbamic acid, N,N-dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|Caswell No. 359C|Dimethylcarbamic acid 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|EINECS 245-430-1|EPA Pesticide Chemical Code 106101|pirimicarbe|Pirimix|Pirimor|Pirimor 50 DP|Pirimor G|Pirimor Granulate|Primicarbe|Pyrimor|UNII-1I93PS935T https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032569
ERPathway2016 ERPathway2016_1386 Pirimicarb 23103-98-2 DTXSID1032569 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)C(=O)OC1=C(C)C(C)=NC(=N1)N(C)C Pirimicarb 23103-98-2|Pirimicarb|2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate|2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyldimethylcarbamate|2-Dimethylamino-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate|2-Dimethylamino-5,6-dimethylpyrimidin-4-yl dimethylcarbamate|2-Dimethylamino-5,6-dimethylpyrimidin-4-yl N,N-dimethylcarbamate|4-Pyrimidinol, 2-(dimethylamino)-5,6-dimethyl-, dimethylcarbamate (ester)|5-25-13-00063|5,6-Dimethyl-2-dimethylamino-4-dimethylcarbamoyloxypyrimidine|5,6-Dimethyl-2-dimethylamino-4-pyrimidinyldimethylcarbamate|5,6-Dwumetylo-2-dwumetyloamino-4-pirimidynylodwukarbaminian|Aficida|BRN 0663442|Carbamic acid, dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|Carbamic acid, N,N-dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|Caswell No. 359C|Dimethylcarbamic acid 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester|EINECS 245-430-1|EPA Pesticide Chemical Code 106101|pirimicarbe|Pirimix|Pirimor|Pirimor 50 DP|Pirimor G|Pirimor Granulate|Primicarbe|Pyrimor|UNII-1I93PS935T https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032569
ARPathway2016 ARPathway2016_1111 Pirimiphos-methyl 29232-93-7 DTXSID0024266 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCN(CC)C1=NC(OP(=S)(OC)OC)=CC(C)=N1 Pirimiphos-methyl 29232-93-7|Pirimiphos-methyl|2-Diethylamino-6-methylpyrimidin-4-yl dimethyl phosphorothionate|2-Diethylamino-6-methylpyrimidine-4-yl dimethyl phosphorothionate|249-528-5|4-Pyrimidinol, 2-(diethylamino)-6-methyl-, O-ester with O,O-dimethyl phosphorothioate|Actelic|Actellic|Actellic 25EC|Actellic 50|Actellic 50E|Actellic Polvo|Actellifog|Aktelik|Aktellik|BRN 0755726|Caswell No. 334B|Dominator|EC No.: 249-528-5|EINECS 249-528-5|ENT 27699Gc|EPA Pesticide Chemical Code 108102|Fosforan pirimidyny|Methyl pyrimiphos|Methylpirimiphos|Methylpyrimifos|O-(2-Diethylamino-6-methylpyrimidin-4-yl) O,O-dimethyl phosphorothioate|O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl phosphorothioate|O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate|O-2-Diethylamino-6-methylpyrimidin-4-yl-O,O-dimethyl phosphorothioate|O,O-Dimethyl O-(2-(diethylamino)-6-methyl-4-pyrimidinyl) phosphorothioate|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl ester|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimid|11104-27-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024266
ARPathway2016 ARPathway2016_1111 Pirimiphos-methyl 29232-93-7 DTXSID0024266 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCN(CC)C1=NC(OP(=S)(OC)OC)=CC(C)=N1 Pirimiphos-methyl 29232-93-7|Pirimiphos-methyl|2-Diethylamino-6-methylpyrimidin-4-yl dimethyl phosphorothionate|2-Diethylamino-6-methylpyrimidine-4-yl dimethyl phosphorothionate|249-528-5|4-Pyrimidinol, 2-(diethylamino)-6-methyl-, O-ester with O,O-dimethyl phosphorothioate|Actelic|Actellic|Actellic 25EC|Actellic 50|Actellic 50E|Actellic Polvo|Actellifog|Aktelik|Aktellik|BRN 0755726|Caswell No. 334B|Dominator|EC No.: 249-528-5|EINECS 249-528-5|ENT 27699Gc|EPA Pesticide Chemical Code 108102|Fosforan pirimidyny|Methyl pyrimiphos|Methylpirimiphos|Methylpyrimifos|O-(2-Diethylamino-6-methylpyrimidin-4-yl) O,O-dimethyl phosphorothioate|O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl phosphorothioate|O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate|O-2-Diethylamino-6-methylpyrimidin-4-yl-O,O-dimethyl phosphorothioate|O,O-Dimethyl O-(2-(diethylamino)-6-methyl-4-pyrimidinyl) phosphorothioate|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl ester|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimid|11104-27-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024266
ARPathway2016 ARPathway2016_1111 Pirimiphos-methyl 29232-93-7 DTXSID0024266 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCN(CC)C1=NC(OP(=S)(OC)OC)=CC(C)=N1 Pirimiphos-methyl 29232-93-7|Pirimiphos-methyl|2-Diethylamino-6-methylpyrimidin-4-yl dimethyl phosphorothionate|2-Diethylamino-6-methylpyrimidine-4-yl dimethyl phosphorothionate|249-528-5|4-Pyrimidinol, 2-(diethylamino)-6-methyl-, O-ester with O,O-dimethyl phosphorothioate|Actelic|Actellic|Actellic 25EC|Actellic 50|Actellic 50E|Actellic Polvo|Actellifog|Aktelik|Aktellik|BRN 0755726|Caswell No. 334B|Dominator|EC No.: 249-528-5|EINECS 249-528-5|ENT 27699Gc|EPA Pesticide Chemical Code 108102|Fosforan pirimidyny|Methyl pyrimiphos|Methylpirimiphos|Methylpyrimifos|O-(2-Diethylamino-6-methylpyrimidin-4-yl) O,O-dimethyl phosphorothioate|O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl phosphorothioate|O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate|O-2-Diethylamino-6-methylpyrimidin-4-yl-O,O-dimethyl phosphorothioate|O,O-Dimethyl O-(2-(diethylamino)-6-methyl-4-pyrimidinyl) phosphorothioate|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl ester|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimid|11104-27-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024266
ARPathway2016 ARPathway2016_1111 Pirimiphos-methyl 29232-93-7 DTXSID0024266 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCN(CC)C1=NC(OP(=S)(OC)OC)=CC(C)=N1 Pirimiphos-methyl 29232-93-7|Pirimiphos-methyl|2-Diethylamino-6-methylpyrimidin-4-yl dimethyl phosphorothionate|2-Diethylamino-6-methylpyrimidine-4-yl dimethyl phosphorothionate|249-528-5|4-Pyrimidinol, 2-(diethylamino)-6-methyl-, O-ester with O,O-dimethyl phosphorothioate|Actelic|Actellic|Actellic 25EC|Actellic 50|Actellic 50E|Actellic Polvo|Actellifog|Aktelik|Aktellik|BRN 0755726|Caswell No. 334B|Dominator|EC No.: 249-528-5|EINECS 249-528-5|ENT 27699Gc|EPA Pesticide Chemical Code 108102|Fosforan pirimidyny|Methyl pyrimiphos|Methylpirimiphos|Methylpyrimifos|O-(2-Diethylamino-6-methylpyrimidin-4-yl) O,O-dimethyl phosphorothioate|O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl phosphorothioate|O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate|O-2-Diethylamino-6-methylpyrimidin-4-yl-O,O-dimethyl phosphorothioate|O,O-Dimethyl O-(2-(diethylamino)-6-methyl-4-pyrimidinyl) phosphorothioate|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl ester|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimid|11104-27-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024266
ERPathway2016 ERPathway2016_354 Pirimiphos-methyl 29232-93-7 DTXSID0024266 ER Pathway Model, Antagonist AC50 19.8506702602377 uM CCN(CC)C1=NC(OP(=S)(OC)OC)=CC(C)=N1 Pirimiphos-methyl 29232-93-7|Pirimiphos-methyl|2-Diethylamino-6-methylpyrimidin-4-yl dimethyl phosphorothionate|2-Diethylamino-6-methylpyrimidine-4-yl dimethyl phosphorothionate|249-528-5|4-Pyrimidinol, 2-(diethylamino)-6-methyl-, O-ester with O,O-dimethyl phosphorothioate|Actelic|Actellic|Actellic 25EC|Actellic 50|Actellic 50E|Actellic Polvo|Actellifog|Aktelik|Aktellik|BRN 0755726|Caswell No. 334B|Dominator|EC No.: 249-528-5|EINECS 249-528-5|ENT 27699Gc|EPA Pesticide Chemical Code 108102|Fosforan pirimidyny|Methyl pyrimiphos|Methylpirimiphos|Methylpyrimifos|O-(2-Diethylamino-6-methylpyrimidin-4-yl) O,O-dimethyl phosphorothioate|O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl phosphorothioate|O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate|O-2-Diethylamino-6-methylpyrimidin-4-yl-O,O-dimethyl phosphorothioate|O,O-Dimethyl O-(2-(diethylamino)-6-methyl-4-pyrimidinyl) phosphorothioate|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl ester|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimid|11104-27-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024266
ERPathway2016 ERPathway2016_354 Pirimiphos-methyl 29232-93-7 DTXSID0024266 ER Pathway Model, Antagonist ACC 16.9223935374007 uM CCN(CC)C1=NC(OP(=S)(OC)OC)=CC(C)=N1 Pirimiphos-methyl 29232-93-7|Pirimiphos-methyl|2-Diethylamino-6-methylpyrimidin-4-yl dimethyl phosphorothionate|2-Diethylamino-6-methylpyrimidine-4-yl dimethyl phosphorothionate|249-528-5|4-Pyrimidinol, 2-(diethylamino)-6-methyl-, O-ester with O,O-dimethyl phosphorothioate|Actelic|Actellic|Actellic 25EC|Actellic 50|Actellic 50E|Actellic Polvo|Actellifog|Aktelik|Aktellik|BRN 0755726|Caswell No. 334B|Dominator|EC No.: 249-528-5|EINECS 249-528-5|ENT 27699Gc|EPA Pesticide Chemical Code 108102|Fosforan pirimidyny|Methyl pyrimiphos|Methylpirimiphos|Methylpyrimifos|O-(2-Diethylamino-6-methylpyrimidin-4-yl) O,O-dimethyl phosphorothioate|O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl phosphorothioate|O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate|O-2-Diethylamino-6-methylpyrimidin-4-yl-O,O-dimethyl phosphorothioate|O,O-Dimethyl O-(2-(diethylamino)-6-methyl-4-pyrimidinyl) phosphorothioate|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl ester|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimid|11104-27-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024266
ERPathway2016 ERPathway2016_354 Pirimiphos-methyl 29232-93-7 DTXSID0024266 ER Pathway Model, Agonist Model Score 0.0176 Unitless CCN(CC)C1=NC(OP(=S)(OC)OC)=CC(C)=N1 Pirimiphos-methyl 29232-93-7|Pirimiphos-methyl|2-Diethylamino-6-methylpyrimidin-4-yl dimethyl phosphorothionate|2-Diethylamino-6-methylpyrimidine-4-yl dimethyl phosphorothionate|249-528-5|4-Pyrimidinol, 2-(diethylamino)-6-methyl-, O-ester with O,O-dimethyl phosphorothioate|Actelic|Actellic|Actellic 25EC|Actellic 50|Actellic 50E|Actellic Polvo|Actellifog|Aktelik|Aktellik|BRN 0755726|Caswell No. 334B|Dominator|EC No.: 249-528-5|EINECS 249-528-5|ENT 27699Gc|EPA Pesticide Chemical Code 108102|Fosforan pirimidyny|Methyl pyrimiphos|Methylpirimiphos|Methylpyrimifos|O-(2-Diethylamino-6-methylpyrimidin-4-yl) O,O-dimethyl phosphorothioate|O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl phosphorothioate|O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate|O-2-Diethylamino-6-methylpyrimidin-4-yl-O,O-dimethyl phosphorothioate|O,O-Dimethyl O-(2-(diethylamino)-6-methyl-4-pyrimidinyl) phosphorothioate|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl ester|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimid|11104-27-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024266
ERPathway2016 ERPathway2016_354 Pirimiphos-methyl 29232-93-7 DTXSID0024266 ER Pathway Model, Antagonist Model Score 0 Unitless CCN(CC)C1=NC(OP(=S)(OC)OC)=CC(C)=N1 Pirimiphos-methyl 29232-93-7|Pirimiphos-methyl|2-Diethylamino-6-methylpyrimidin-4-yl dimethyl phosphorothionate|2-Diethylamino-6-methylpyrimidine-4-yl dimethyl phosphorothionate|249-528-5|4-Pyrimidinol, 2-(diethylamino)-6-methyl-, O-ester with O,O-dimethyl phosphorothioate|Actelic|Actellic|Actellic 25EC|Actellic 50|Actellic 50E|Actellic Polvo|Actellifog|Aktelik|Aktellik|BRN 0755726|Caswell No. 334B|Dominator|EC No.: 249-528-5|EINECS 249-528-5|ENT 27699Gc|EPA Pesticide Chemical Code 108102|Fosforan pirimidyny|Methyl pyrimiphos|Methylpirimiphos|Methylpyrimifos|O-(2-Diethylamino-6-methylpyrimidin-4-yl) O,O-dimethyl phosphorothioate|O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl phosphorothioate|O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate|O-2-Diethylamino-6-methylpyrimidin-4-yl-O,O-dimethyl phosphorothioate|O,O-Dimethyl O-(2-(diethylamino)-6-methyl-4-pyrimidinyl) phosphorothioate|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl ester|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimid|11104-27-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024266
ERPathway2016 ERPathway2016_354 Pirimiphos-methyl 29232-93-7 DTXSID0024266 ER Pathway Model, Agonist Call Inactive Unitless CCN(CC)C1=NC(OP(=S)(OC)OC)=CC(C)=N1 Pirimiphos-methyl 29232-93-7|Pirimiphos-methyl|2-Diethylamino-6-methylpyrimidin-4-yl dimethyl phosphorothionate|2-Diethylamino-6-methylpyrimidine-4-yl dimethyl phosphorothionate|249-528-5|4-Pyrimidinol, 2-(diethylamino)-6-methyl-, O-ester with O,O-dimethyl phosphorothioate|Actelic|Actellic|Actellic 25EC|Actellic 50|Actellic 50E|Actellic Polvo|Actellifog|Aktelik|Aktellik|BRN 0755726|Caswell No. 334B|Dominator|EC No.: 249-528-5|EINECS 249-528-5|ENT 27699Gc|EPA Pesticide Chemical Code 108102|Fosforan pirimidyny|Methyl pyrimiphos|Methylpirimiphos|Methylpyrimifos|O-(2-Diethylamino-6-methylpyrimidin-4-yl) O,O-dimethyl phosphorothioate|O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl phosphorothioate|O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate|O-2-Diethylamino-6-methylpyrimidin-4-yl-O,O-dimethyl phosphorothioate|O,O-Dimethyl O-(2-(diethylamino)-6-methyl-4-pyrimidinyl) phosphorothioate|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl ester|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimid|11104-27-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024266
ERPathway2016 ERPathway2016_354 Pirimiphos-methyl 29232-93-7 DTXSID0024266 ER Pathway Model, Antagonist Call Active Unitless CCN(CC)C1=NC(OP(=S)(OC)OC)=CC(C)=N1 Pirimiphos-methyl 29232-93-7|Pirimiphos-methyl|2-Diethylamino-6-methylpyrimidin-4-yl dimethyl phosphorothionate|2-Diethylamino-6-methylpyrimidine-4-yl dimethyl phosphorothionate|249-528-5|4-Pyrimidinol, 2-(diethylamino)-6-methyl-, O-ester with O,O-dimethyl phosphorothioate|Actelic|Actellic|Actellic 25EC|Actellic 50|Actellic 50E|Actellic Polvo|Actellifog|Aktelik|Aktellik|BRN 0755726|Caswell No. 334B|Dominator|EC No.: 249-528-5|EINECS 249-528-5|ENT 27699Gc|EPA Pesticide Chemical Code 108102|Fosforan pirimidyny|Methyl pyrimiphos|Methylpirimiphos|Methylpyrimifos|O-(2-Diethylamino-6-methylpyrimidin-4-yl) O,O-dimethyl phosphorothioate|O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl phosphorothioate|O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate|O-2-Diethylamino-6-methylpyrimidin-4-yl-O,O-dimethyl phosphorothioate|O,O-Dimethyl O-(2-(diethylamino)-6-methyl-4-pyrimidinyl) phosphorothioate|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl ester|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimid|11104-27-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0024266
ARPathway2016 ARPathway2016_1694 Poloxalene 9003-11-6 DTXSID4047597 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Poloxalene 9003-11-6|Poloxalene|1,2-Ethanediol, polymer with 1,2-propanediol|1,2-Propanediol polymer with ethylene oxide|1,2-Propanediol, polymer with 1,2-ethanediol|2-Methyl-oxirane polymer with oxirane|Acclaim 2220N|Acclaim 4220N|Actcol ED 56|Actcol MF 12|Actcol MF 18|Actcol NF 04|Actinol P 3035|Adeka Carpol MH 150|Adeka Carpol MH 500|Adeka Carpol PH 2000|Adeka CM 211|Adeka CM 294|Adeka PR 2008|Adeka PR 3007|Adekanol L 62|Adekanol NP 1200|Alkox EP 10|Alkox EP 10X|Alkox EP 20X|Arlatone F 127G|Atlas SF 131|Benzene, ethenyl-, polymer with methyloxirane, oxirane and phenol, block|Berol TVM 370|Blaunon EP 1461|Blaunon P 172|Blaunon P 201|Bloatguard|Breox 50A1000|Breox 75W270|Breox PAG 50A1000|Carpol 2040|Carpol 2050|COPOLYMER, POLYOXYETHYLENE POLYOXYPROPYLENE|Desmophen 7100|Desmophen L 2830|Dezemulsionat E 96|Disfoam CC 222|Dissolvan 4411|Emkalyx EP 64|Emkalyx L 101|Emkarox VG 1051W|Emkarox VG 217W|Emkarox VG 379W|Emkarox VG 650W|Emulgen PP|Emulgen PP 150|Emulgen PP 250|Emulgen PP 290|ETHOXYLATED POLYOXYPROPYLENE|ETHOXYLATED POLYPROPYLENE|Ethy|106717-66-2|1087262-79-0|1214718-60-1|1220390-47-5|124057-63-2|125523-27-5|12676-40-3|12772-49-5|1354714-46-7|1359884-87-9|138898-06-3|1407593-02-5|1426233-29-5|1430143-53-5|162627-00-1|163032-64-2|163063-49-8|166738-09-6|167267-50-7|168018-54-0|1700656-07-0|170779-86-9|172306-19-3|1818351-41-5|1851281-18-9|186673-37-0|1870006-85-1|190735-22-9|208342-25-0|2087861-39-8|209682-92-8|2172821-14-4|231627-80-8|232598-91-3|250780-00-8|254903-86-1|2708121-02-0|291775-89-8|30600-73-8|37211-19-1|37211-20-4|37211-21-5|37211-22-6|37211-23-7|37211-24-8|37221-18-4|37265-39-7|37307-38-3|37331-16-1|37331-17-2|37341-81-4|374624-82-5|39277-80-0|39316-56-8|39316-57-9|39364-13-1|39387-54-7|452069-47-5|472960-66-0|50643-24-8|51312-31-3|51569-27-8|53637-72-2|56730-46-2|570369-25-4|57219-38-2|57571-70-7|57971-91-2|58968-65-3|59494-33-6|59794-22-8|60328-61-2|60407-69-4|60976-75-2|634588-40-2|64940-96-1|65187-10-2|65380-70-3|66746-25-6|69070-95-7|69256-70-8|70213-25-1|70644-95-0|71343-56-1|72319-37-0|73158-62-0|76050-76-5|76364-46-0| https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047597
ARPathway2016 ARPathway2016_1694 Poloxalene 9003-11-6 DTXSID4047597 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Poloxalene 9003-11-6|Poloxalene|1,2-Ethanediol, polymer with 1,2-propanediol|1,2-Propanediol polymer with ethylene oxide|1,2-Propanediol, polymer with 1,2-ethanediol|2-Methyl-oxirane polymer with oxirane|Acclaim 2220N|Acclaim 4220N|Actcol ED 56|Actcol MF 12|Actcol MF 18|Actcol NF 04|Actinol P 3035|Adeka Carpol MH 150|Adeka Carpol MH 500|Adeka Carpol PH 2000|Adeka CM 211|Adeka CM 294|Adeka PR 2008|Adeka PR 3007|Adekanol L 62|Adekanol NP 1200|Alkox EP 10|Alkox EP 10X|Alkox EP 20X|Arlatone F 127G|Atlas SF 131|Benzene, ethenyl-, polymer with methyloxirane, oxirane and phenol, block|Berol TVM 370|Blaunon EP 1461|Blaunon P 172|Blaunon P 201|Bloatguard|Breox 50A1000|Breox 75W270|Breox PAG 50A1000|Carpol 2040|Carpol 2050|COPOLYMER, POLYOXYETHYLENE POLYOXYPROPYLENE|Desmophen 7100|Desmophen L 2830|Dezemulsionat E 96|Disfoam CC 222|Dissolvan 4411|Emkalyx EP 64|Emkalyx L 101|Emkarox VG 1051W|Emkarox VG 217W|Emkarox VG 379W|Emkarox VG 650W|Emulgen PP|Emulgen PP 150|Emulgen PP 250|Emulgen PP 290|ETHOXYLATED POLYOXYPROPYLENE|ETHOXYLATED POLYPROPYLENE|Ethy|106717-66-2|1087262-79-0|1214718-60-1|1220390-47-5|124057-63-2|125523-27-5|12676-40-3|12772-49-5|1354714-46-7|1359884-87-9|138898-06-3|1407593-02-5|1426233-29-5|1430143-53-5|162627-00-1|163032-64-2|163063-49-8|166738-09-6|167267-50-7|168018-54-0|1700656-07-0|170779-86-9|172306-19-3|1818351-41-5|1851281-18-9|186673-37-0|1870006-85-1|190735-22-9|208342-25-0|2087861-39-8|209682-92-8|2172821-14-4|231627-80-8|232598-91-3|250780-00-8|254903-86-1|2708121-02-0|291775-89-8|30600-73-8|37211-19-1|37211-20-4|37211-21-5|37211-22-6|37211-23-7|37211-24-8|37221-18-4|37265-39-7|37307-38-3|37331-16-1|37331-17-2|37341-81-4|374624-82-5|39277-80-0|39316-56-8|39316-57-9|39364-13-1|39387-54-7|452069-47-5|472960-66-0|50643-24-8|51312-31-3|51569-27-8|53637-72-2|56730-46-2|570369-25-4|57219-38-2|57571-70-7|57971-91-2|58968-65-3|59494-33-6|59794-22-8|60328-61-2|60407-69-4|60976-75-2|634588-40-2|64940-96-1|65187-10-2|65380-70-3|66746-25-6|69070-95-7|69256-70-8|70213-25-1|70644-95-0|71343-56-1|72319-37-0|73158-62-0|76050-76-5|76364-46-0| https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047597
ARPathway2016 ARPathway2016_1694 Poloxalene 9003-11-6 DTXSID4047597 0.0 AR Pathway Model, Agonist Call Inactive Unitless Poloxalene 9003-11-6|Poloxalene|1,2-Ethanediol, polymer with 1,2-propanediol|1,2-Propanediol polymer with ethylene oxide|1,2-Propanediol, polymer with 1,2-ethanediol|2-Methyl-oxirane polymer with oxirane|Acclaim 2220N|Acclaim 4220N|Actcol ED 56|Actcol MF 12|Actcol MF 18|Actcol NF 04|Actinol P 3035|Adeka Carpol MH 150|Adeka Carpol MH 500|Adeka Carpol PH 2000|Adeka CM 211|Adeka CM 294|Adeka PR 2008|Adeka PR 3007|Adekanol L 62|Adekanol NP 1200|Alkox EP 10|Alkox EP 10X|Alkox EP 20X|Arlatone F 127G|Atlas SF 131|Benzene, ethenyl-, polymer with methyloxirane, oxirane and phenol, block|Berol TVM 370|Blaunon EP 1461|Blaunon P 172|Blaunon P 201|Bloatguard|Breox 50A1000|Breox 75W270|Breox PAG 50A1000|Carpol 2040|Carpol 2050|COPOLYMER, POLYOXYETHYLENE POLYOXYPROPYLENE|Desmophen 7100|Desmophen L 2830|Dezemulsionat E 96|Disfoam CC 222|Dissolvan 4411|Emkalyx EP 64|Emkalyx L 101|Emkarox VG 1051W|Emkarox VG 217W|Emkarox VG 379W|Emkarox VG 650W|Emulgen PP|Emulgen PP 150|Emulgen PP 250|Emulgen PP 290|ETHOXYLATED POLYOXYPROPYLENE|ETHOXYLATED POLYPROPYLENE|Ethy|106717-66-2|1087262-79-0|1214718-60-1|1220390-47-5|124057-63-2|125523-27-5|12676-40-3|12772-49-5|1354714-46-7|1359884-87-9|138898-06-3|1407593-02-5|1426233-29-5|1430143-53-5|162627-00-1|163032-64-2|163063-49-8|166738-09-6|167267-50-7|168018-54-0|1700656-07-0|170779-86-9|172306-19-3|1818351-41-5|1851281-18-9|186673-37-0|1870006-85-1|190735-22-9|208342-25-0|2087861-39-8|209682-92-8|2172821-14-4|231627-80-8|232598-91-3|250780-00-8|254903-86-1|2708121-02-0|291775-89-8|30600-73-8|37211-19-1|37211-20-4|37211-21-5|37211-22-6|37211-23-7|37211-24-8|37221-18-4|37265-39-7|37307-38-3|37331-16-1|37331-17-2|37341-81-4|374624-82-5|39277-80-0|39316-56-8|39316-57-9|39364-13-1|39387-54-7|452069-47-5|472960-66-0|50643-24-8|51312-31-3|51569-27-8|53637-72-2|56730-46-2|570369-25-4|57219-38-2|57571-70-7|57971-91-2|58968-65-3|59494-33-6|59794-22-8|60328-61-2|60407-69-4|60976-75-2|634588-40-2|64940-96-1|65187-10-2|65380-70-3|66746-25-6|69070-95-7|69256-70-8|70213-25-1|70644-95-0|71343-56-1|72319-37-0|73158-62-0|76050-76-5|76364-46-0| https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047597
ARPathway2016 ARPathway2016_1694 Poloxalene 9003-11-6 DTXSID4047597 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Poloxalene 9003-11-6|Poloxalene|1,2-Ethanediol, polymer with 1,2-propanediol|1,2-Propanediol polymer with ethylene oxide|1,2-Propanediol, polymer with 1,2-ethanediol|2-Methyl-oxirane polymer with oxirane|Acclaim 2220N|Acclaim 4220N|Actcol ED 56|Actcol MF 12|Actcol MF 18|Actcol NF 04|Actinol P 3035|Adeka Carpol MH 150|Adeka Carpol MH 500|Adeka Carpol PH 2000|Adeka CM 211|Adeka CM 294|Adeka PR 2008|Adeka PR 3007|Adekanol L 62|Adekanol NP 1200|Alkox EP 10|Alkox EP 10X|Alkox EP 20X|Arlatone F 127G|Atlas SF 131|Benzene, ethenyl-, polymer with methyloxirane, oxirane and phenol, block|Berol TVM 370|Blaunon EP 1461|Blaunon P 172|Blaunon P 201|Bloatguard|Breox 50A1000|Breox 75W270|Breox PAG 50A1000|Carpol 2040|Carpol 2050|COPOLYMER, POLYOXYETHYLENE POLYOXYPROPYLENE|Desmophen 7100|Desmophen L 2830|Dezemulsionat E 96|Disfoam CC 222|Dissolvan 4411|Emkalyx EP 64|Emkalyx L 101|Emkarox VG 1051W|Emkarox VG 217W|Emkarox VG 379W|Emkarox VG 650W|Emulgen PP|Emulgen PP 150|Emulgen PP 250|Emulgen PP 290|ETHOXYLATED POLYOXYPROPYLENE|ETHOXYLATED POLYPROPYLENE|Ethy|106717-66-2|1087262-79-0|1214718-60-1|1220390-47-5|124057-63-2|125523-27-5|12676-40-3|12772-49-5|1354714-46-7|1359884-87-9|138898-06-3|1407593-02-5|1426233-29-5|1430143-53-5|162627-00-1|163032-64-2|163063-49-8|166738-09-6|167267-50-7|168018-54-0|1700656-07-0|170779-86-9|172306-19-3|1818351-41-5|1851281-18-9|186673-37-0|1870006-85-1|190735-22-9|208342-25-0|2087861-39-8|209682-92-8|2172821-14-4|231627-80-8|232598-91-3|250780-00-8|254903-86-1|2708121-02-0|291775-89-8|30600-73-8|37211-19-1|37211-20-4|37211-21-5|37211-22-6|37211-23-7|37211-24-8|37221-18-4|37265-39-7|37307-38-3|37331-16-1|37331-17-2|37341-81-4|374624-82-5|39277-80-0|39316-56-8|39316-57-9|39364-13-1|39387-54-7|452069-47-5|472960-66-0|50643-24-8|51312-31-3|51569-27-8|53637-72-2|56730-46-2|570369-25-4|57219-38-2|57571-70-7|57971-91-2|58968-65-3|59494-33-6|59794-22-8|60328-61-2|60407-69-4|60976-75-2|634588-40-2|64940-96-1|65187-10-2|65380-70-3|66746-25-6|69070-95-7|69256-70-8|70213-25-1|70644-95-0|71343-56-1|72319-37-0|73158-62-0|76050-76-5|76364-46-0| https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047597
ERPathway2016 ERPathway2016_1729 Poloxalene 9003-11-6 DTXSID4047597 ER Pathway Model, Agonist Model Score 0 Unitless Poloxalene 9003-11-6|Poloxalene|1,2-Ethanediol, polymer with 1,2-propanediol|1,2-Propanediol polymer with ethylene oxide|1,2-Propanediol, polymer with 1,2-ethanediol|2-Methyl-oxirane polymer with oxirane|Acclaim 2220N|Acclaim 4220N|Actcol ED 56|Actcol MF 12|Actcol MF 18|Actcol NF 04|Actinol P 3035|Adeka Carpol MH 150|Adeka Carpol MH 500|Adeka Carpol PH 2000|Adeka CM 211|Adeka CM 294|Adeka PR 2008|Adeka PR 3007|Adekanol L 62|Adekanol NP 1200|Alkox EP 10|Alkox EP 10X|Alkox EP 20X|Arlatone F 127G|Atlas SF 131|Benzene, ethenyl-, polymer with methyloxirane, oxirane and phenol, block|Berol TVM 370|Blaunon EP 1461|Blaunon P 172|Blaunon P 201|Bloatguard|Breox 50A1000|Breox 75W270|Breox PAG 50A1000|Carpol 2040|Carpol 2050|COPOLYMER, POLYOXYETHYLENE POLYOXYPROPYLENE|Desmophen 7100|Desmophen L 2830|Dezemulsionat E 96|Disfoam CC 222|Dissolvan 4411|Emkalyx EP 64|Emkalyx L 101|Emkarox VG 1051W|Emkarox VG 217W|Emkarox VG 379W|Emkarox VG 650W|Emulgen PP|Emulgen PP 150|Emulgen PP 250|Emulgen PP 290|ETHOXYLATED POLYOXYPROPYLENE|ETHOXYLATED POLYPROPYLENE|Ethy|106717-66-2|1087262-79-0|1214718-60-1|1220390-47-5|124057-63-2|125523-27-5|12676-40-3|12772-49-5|1354714-46-7|1359884-87-9|138898-06-3|1407593-02-5|1426233-29-5|1430143-53-5|162627-00-1|163032-64-2|163063-49-8|166738-09-6|167267-50-7|168018-54-0|1700656-07-0|170779-86-9|172306-19-3|1818351-41-5|1851281-18-9|186673-37-0|1870006-85-1|190735-22-9|208342-25-0|2087861-39-8|209682-92-8|2172821-14-4|231627-80-8|232598-91-3|250780-00-8|254903-86-1|2708121-02-0|291775-89-8|30600-73-8|37211-19-1|37211-20-4|37211-21-5|37211-22-6|37211-23-7|37211-24-8|37221-18-4|37265-39-7|37307-38-3|37331-16-1|37331-17-2|37341-81-4|374624-82-5|39277-80-0|39316-56-8|39316-57-9|39364-13-1|39387-54-7|452069-47-5|472960-66-0|50643-24-8|51312-31-3|51569-27-8|53637-72-2|56730-46-2|570369-25-4|57219-38-2|57571-70-7|57971-91-2|58968-65-3|59494-33-6|59794-22-8|60328-61-2|60407-69-4|60976-75-2|634588-40-2|64940-96-1|65187-10-2|65380-70-3|66746-25-6|69070-95-7|69256-70-8|70213-25-1|70644-95-0|71343-56-1|72319-37-0|73158-62-0|76050-76-5|76364-46-0| https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047597
ERPathway2016 ERPathway2016_1729 Poloxalene 9003-11-6 DTXSID4047597 ER Pathway Model, Antagonist Model Score 0 Unitless Poloxalene 9003-11-6|Poloxalene|1,2-Ethanediol, polymer with 1,2-propanediol|1,2-Propanediol polymer with ethylene oxide|1,2-Propanediol, polymer with 1,2-ethanediol|2-Methyl-oxirane polymer with oxirane|Acclaim 2220N|Acclaim 4220N|Actcol ED 56|Actcol MF 12|Actcol MF 18|Actcol NF 04|Actinol P 3035|Adeka Carpol MH 150|Adeka Carpol MH 500|Adeka Carpol PH 2000|Adeka CM 211|Adeka CM 294|Adeka PR 2008|Adeka PR 3007|Adekanol L 62|Adekanol NP 1200|Alkox EP 10|Alkox EP 10X|Alkox EP 20X|Arlatone F 127G|Atlas SF 131|Benzene, ethenyl-, polymer with methyloxirane, oxirane and phenol, block|Berol TVM 370|Blaunon EP 1461|Blaunon P 172|Blaunon P 201|Bloatguard|Breox 50A1000|Breox 75W270|Breox PAG 50A1000|Carpol 2040|Carpol 2050|COPOLYMER, POLYOXYETHYLENE POLYOXYPROPYLENE|Desmophen 7100|Desmophen L 2830|Dezemulsionat E 96|Disfoam CC 222|Dissolvan 4411|Emkalyx EP 64|Emkalyx L 101|Emkarox VG 1051W|Emkarox VG 217W|Emkarox VG 379W|Emkarox VG 650W|Emulgen PP|Emulgen PP 150|Emulgen PP 250|Emulgen PP 290|ETHOXYLATED POLYOXYPROPYLENE|ETHOXYLATED POLYPROPYLENE|Ethy|106717-66-2|1087262-79-0|1214718-60-1|1220390-47-5|124057-63-2|125523-27-5|12676-40-3|12772-49-5|1354714-46-7|1359884-87-9|138898-06-3|1407593-02-5|1426233-29-5|1430143-53-5|162627-00-1|163032-64-2|163063-49-8|166738-09-6|167267-50-7|168018-54-0|1700656-07-0|170779-86-9|172306-19-3|1818351-41-5|1851281-18-9|186673-37-0|1870006-85-1|190735-22-9|208342-25-0|2087861-39-8|209682-92-8|2172821-14-4|231627-80-8|232598-91-3|250780-00-8|254903-86-1|2708121-02-0|291775-89-8|30600-73-8|37211-19-1|37211-20-4|37211-21-5|37211-22-6|37211-23-7|37211-24-8|37221-18-4|37265-39-7|37307-38-3|37331-16-1|37331-17-2|37341-81-4|374624-82-5|39277-80-0|39316-56-8|39316-57-9|39364-13-1|39387-54-7|452069-47-5|472960-66-0|50643-24-8|51312-31-3|51569-27-8|53637-72-2|56730-46-2|570369-25-4|57219-38-2|57571-70-7|57971-91-2|58968-65-3|59494-33-6|59794-22-8|60328-61-2|60407-69-4|60976-75-2|634588-40-2|64940-96-1|65187-10-2|65380-70-3|66746-25-6|69070-95-7|69256-70-8|70213-25-1|70644-95-0|71343-56-1|72319-37-0|73158-62-0|76050-76-5|76364-46-0| https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047597
ERPathway2016 ERPathway2016_1729 Poloxalene 9003-11-6 DTXSID4047597 ER Pathway Model, Agonist Call Inactive Unitless Poloxalene 9003-11-6|Poloxalene|1,2-Ethanediol, polymer with 1,2-propanediol|1,2-Propanediol polymer with ethylene oxide|1,2-Propanediol, polymer with 1,2-ethanediol|2-Methyl-oxirane polymer with oxirane|Acclaim 2220N|Acclaim 4220N|Actcol ED 56|Actcol MF 12|Actcol MF 18|Actcol NF 04|Actinol P 3035|Adeka Carpol MH 150|Adeka Carpol MH 500|Adeka Carpol PH 2000|Adeka CM 211|Adeka CM 294|Adeka PR 2008|Adeka PR 3007|Adekanol L 62|Adekanol NP 1200|Alkox EP 10|Alkox EP 10X|Alkox EP 20X|Arlatone F 127G|Atlas SF 131|Benzene, ethenyl-, polymer with methyloxirane, oxirane and phenol, block|Berol TVM 370|Blaunon EP 1461|Blaunon P 172|Blaunon P 201|Bloatguard|Breox 50A1000|Breox 75W270|Breox PAG 50A1000|Carpol 2040|Carpol 2050|COPOLYMER, POLYOXYETHYLENE POLYOXYPROPYLENE|Desmophen 7100|Desmophen L 2830|Dezemulsionat E 96|Disfoam CC 222|Dissolvan 4411|Emkalyx EP 64|Emkalyx L 101|Emkarox VG 1051W|Emkarox VG 217W|Emkarox VG 379W|Emkarox VG 650W|Emulgen PP|Emulgen PP 150|Emulgen PP 250|Emulgen PP 290|ETHOXYLATED POLYOXYPROPYLENE|ETHOXYLATED POLYPROPYLENE|Ethy|106717-66-2|1087262-79-0|1214718-60-1|1220390-47-5|124057-63-2|125523-27-5|12676-40-3|12772-49-5|1354714-46-7|1359884-87-9|138898-06-3|1407593-02-5|1426233-29-5|1430143-53-5|162627-00-1|163032-64-2|163063-49-8|166738-09-6|167267-50-7|168018-54-0|1700656-07-0|170779-86-9|172306-19-3|1818351-41-5|1851281-18-9|186673-37-0|1870006-85-1|190735-22-9|208342-25-0|2087861-39-8|209682-92-8|2172821-14-4|231627-80-8|232598-91-3|250780-00-8|254903-86-1|2708121-02-0|291775-89-8|30600-73-8|37211-19-1|37211-20-4|37211-21-5|37211-22-6|37211-23-7|37211-24-8|37221-18-4|37265-39-7|37307-38-3|37331-16-1|37331-17-2|37341-81-4|374624-82-5|39277-80-0|39316-56-8|39316-57-9|39364-13-1|39387-54-7|452069-47-5|472960-66-0|50643-24-8|51312-31-3|51569-27-8|53637-72-2|56730-46-2|570369-25-4|57219-38-2|57571-70-7|57971-91-2|58968-65-3|59494-33-6|59794-22-8|60328-61-2|60407-69-4|60976-75-2|634588-40-2|64940-96-1|65187-10-2|65380-70-3|66746-25-6|69070-95-7|69256-70-8|70213-25-1|70644-95-0|71343-56-1|72319-37-0|73158-62-0|76050-76-5|76364-46-0| https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047597
ERPathway2016 ERPathway2016_1729 Poloxalene 9003-11-6 DTXSID4047597 ER Pathway Model, Antagonist Call Inactive Unitless Poloxalene 9003-11-6|Poloxalene|1,2-Ethanediol, polymer with 1,2-propanediol|1,2-Propanediol polymer with ethylene oxide|1,2-Propanediol, polymer with 1,2-ethanediol|2-Methyl-oxirane polymer with oxirane|Acclaim 2220N|Acclaim 4220N|Actcol ED 56|Actcol MF 12|Actcol MF 18|Actcol NF 04|Actinol P 3035|Adeka Carpol MH 150|Adeka Carpol MH 500|Adeka Carpol PH 2000|Adeka CM 211|Adeka CM 294|Adeka PR 2008|Adeka PR 3007|Adekanol L 62|Adekanol NP 1200|Alkox EP 10|Alkox EP 10X|Alkox EP 20X|Arlatone F 127G|Atlas SF 131|Benzene, ethenyl-, polymer with methyloxirane, oxirane and phenol, block|Berol TVM 370|Blaunon EP 1461|Blaunon P 172|Blaunon P 201|Bloatguard|Breox 50A1000|Breox 75W270|Breox PAG 50A1000|Carpol 2040|Carpol 2050|COPOLYMER, POLYOXYETHYLENE POLYOXYPROPYLENE|Desmophen 7100|Desmophen L 2830|Dezemulsionat E 96|Disfoam CC 222|Dissolvan 4411|Emkalyx EP 64|Emkalyx L 101|Emkarox VG 1051W|Emkarox VG 217W|Emkarox VG 379W|Emkarox VG 650W|Emulgen PP|Emulgen PP 150|Emulgen PP 250|Emulgen PP 290|ETHOXYLATED POLYOXYPROPYLENE|ETHOXYLATED POLYPROPYLENE|Ethy|106717-66-2|1087262-79-0|1214718-60-1|1220390-47-5|124057-63-2|125523-27-5|12676-40-3|12772-49-5|1354714-46-7|1359884-87-9|138898-06-3|1407593-02-5|1426233-29-5|1430143-53-5|162627-00-1|163032-64-2|163063-49-8|166738-09-6|167267-50-7|168018-54-0|1700656-07-0|170779-86-9|172306-19-3|1818351-41-5|1851281-18-9|186673-37-0|1870006-85-1|190735-22-9|208342-25-0|2087861-39-8|209682-92-8|2172821-14-4|231627-80-8|232598-91-3|250780-00-8|254903-86-1|2708121-02-0|291775-89-8|30600-73-8|37211-19-1|37211-20-4|37211-21-5|37211-22-6|37211-23-7|37211-24-8|37221-18-4|37265-39-7|37307-38-3|37331-16-1|37331-17-2|37341-81-4|374624-82-5|39277-80-0|39316-56-8|39316-57-9|39364-13-1|39387-54-7|452069-47-5|472960-66-0|50643-24-8|51312-31-3|51569-27-8|53637-72-2|56730-46-2|570369-25-4|57219-38-2|57571-70-7|57971-91-2|58968-65-3|59494-33-6|59794-22-8|60328-61-2|60407-69-4|60976-75-2|634588-40-2|64940-96-1|65187-10-2|65380-70-3|66746-25-6|69070-95-7|69256-70-8|70213-25-1|70644-95-0|71343-56-1|72319-37-0|73158-62-0|76050-76-5|76364-46-0| https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047597
ARPathway2016 ARPathway2016_388 Poly(oxyethylene) monoleate 9004-96-0 DTXSID6027713 1.0 Agonist AR Pathway Model, Antagonist AC50 1.2010096457672 uM CCCCCCCCC=C/CCCCCCCC(=O)OCCO |lp:18:2,19:2,22:2,Sg:n:21,20,19::ht| Poly(oxyethylene) monoleate 9004-96-0|Poly(oxyethylene) monoleate|(Z)-alpha-(1-Oxo-9-octadecenyl)-omega-hydroxypoly(oxy-1,2-ethanediyl)|(Z)-a-(1-Oxo-9-octadecenyl)-o-hydroxypoly(oxy-1,2-ethanediyl)|Adeka Estol OEG 204|Agnique PEG 400MO|Akyporox O 50|Alkamuls 400MO|Alkamuls A 2|Alkasurf O 14|Alkasurf O 75-9|Atlas G 2140|Atlas G 2141|Atlas G 2142|Atlas G 2143|Atlas G 2144|Atlas G 5507|Atlas G 5511|Atlas G-2142|Atlas G-2144|Blaunon O 600SA|Blaunon O 700SA|Cemulsol 1050|Cemulsol A|Cemulsol C 105|Cemulsol D 8|Cemulsol D-8|Chemax E 400MO|Chemester 300-OC|Chemester 300OC|Chimipon OCD|Cithrol 2MO|Cithrol PO|Crodet O 100|Crodet O 40|Dyapol G|Emalex OE 1|Emalex OE 10|Emanon 4110|Emanon 4115|Emcol H 31A|Emerest 2624|Emerest 2646|Emerest 2660|Empilan BP 100|Empilan BQ 100|Emulan A|Emulphor 24|Emulphor A|Emulphor UN-430|Emulphor VN 430|Estax 38 S.F|Ethofat O|Ethofat O 15|Ethofat O 20|Ethox MO 14|Ethoxylated oleic acid|Ethylan A 2|Ethylan A 3|Ethylan A 4|Ethylan A 6|Ethylene oxide-oleic acid adduct|Extrex P 60|GLYCOLS, POLYETHYLENE, MONOOLEATE|Hamadol OD 600|Interwet 33|Ionet MO 200|Io|103939-39-5|12772-84-8|12789-13-8|1341-62-4|1356488-85-1|1393489-61-6|141927-22-2|1422656-94-7|187620-03-7|1887122-56-6|2227246-29-7|2227246-32-2|2411663-23-3|37223-98-6|37223-99-7|37330-99-7|39316-40-0|41139-27-9|52504-20-8|55126-82-4|55945-62-5|67775-15-9|8013-78-3|8051-25-0|82905-19-9|9007-68-5|914926-86-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027713
ARPathway2016 ARPathway2016_388 Poly(oxyethylene) monoleate 9004-96-0 DTXSID6027713 1.0 Agonist AR Pathway Model, Antagonist ACC 0.212816844548588 uM CCCCCCCCC=C/CCCCCCCC(=O)OCCO |lp:18:2,19:2,22:2,Sg:n:21,20,19::ht| Poly(oxyethylene) monoleate 9004-96-0|Poly(oxyethylene) monoleate|(Z)-alpha-(1-Oxo-9-octadecenyl)-omega-hydroxypoly(oxy-1,2-ethanediyl)|(Z)-a-(1-Oxo-9-octadecenyl)-o-hydroxypoly(oxy-1,2-ethanediyl)|Adeka Estol OEG 204|Agnique PEG 400MO|Akyporox O 50|Alkamuls 400MO|Alkamuls A 2|Alkasurf O 14|Alkasurf O 75-9|Atlas G 2140|Atlas G 2141|Atlas G 2142|Atlas G 2143|Atlas G 2144|Atlas G 5507|Atlas G 5511|Atlas G-2142|Atlas G-2144|Blaunon O 600SA|Blaunon O 700SA|Cemulsol 1050|Cemulsol A|Cemulsol C 105|Cemulsol D 8|Cemulsol D-8|Chemax E 400MO|Chemester 300-OC|Chemester 300OC|Chimipon OCD|Cithrol 2MO|Cithrol PO|Crodet O 100|Crodet O 40|Dyapol G|Emalex OE 1|Emalex OE 10|Emanon 4110|Emanon 4115|Emcol H 31A|Emerest 2624|Emerest 2646|Emerest 2660|Empilan BP 100|Empilan BQ 100|Emulan A|Emulphor 24|Emulphor A|Emulphor UN-430|Emulphor VN 430|Estax 38 S.F|Ethofat O|Ethofat O 15|Ethofat O 20|Ethox MO 14|Ethoxylated oleic acid|Ethylan A 2|Ethylan A 3|Ethylan A 4|Ethylan A 6|Ethylene oxide-oleic acid adduct|Extrex P 60|GLYCOLS, POLYETHYLENE, MONOOLEATE|Hamadol OD 600|Interwet 33|Ionet MO 200|Io|103939-39-5|12772-84-8|12789-13-8|1341-62-4|1356488-85-1|1393489-61-6|141927-22-2|1422656-94-7|187620-03-7|1887122-56-6|2227246-29-7|2227246-32-2|2411663-23-3|37223-98-6|37223-99-7|37330-99-7|39316-40-0|41139-27-9|52504-20-8|55126-82-4|55945-62-5|67775-15-9|8013-78-3|8051-25-0|82905-19-9|9007-68-5|914926-86-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027713
ARPathway2016 ARPathway2016_388 Poly(oxyethylene) monoleate 9004-96-0 DTXSID6027713 1.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCC=C/CCCCCCCC(=O)OCCO |lp:18:2,19:2,22:2,Sg:n:21,20,19::ht| Poly(oxyethylene) monoleate 9004-96-0|Poly(oxyethylene) monoleate|(Z)-alpha-(1-Oxo-9-octadecenyl)-omega-hydroxypoly(oxy-1,2-ethanediyl)|(Z)-a-(1-Oxo-9-octadecenyl)-o-hydroxypoly(oxy-1,2-ethanediyl)|Adeka Estol OEG 204|Agnique PEG 400MO|Akyporox O 50|Alkamuls 400MO|Alkamuls A 2|Alkasurf O 14|Alkasurf O 75-9|Atlas G 2140|Atlas G 2141|Atlas G 2142|Atlas G 2143|Atlas G 2144|Atlas G 5507|Atlas G 5511|Atlas G-2142|Atlas G-2144|Blaunon O 600SA|Blaunon O 700SA|Cemulsol 1050|Cemulsol A|Cemulsol C 105|Cemulsol D 8|Cemulsol D-8|Chemax E 400MO|Chemester 300-OC|Chemester 300OC|Chimipon OCD|Cithrol 2MO|Cithrol PO|Crodet O 100|Crodet O 40|Dyapol G|Emalex OE 1|Emalex OE 10|Emanon 4110|Emanon 4115|Emcol H 31A|Emerest 2624|Emerest 2646|Emerest 2660|Empilan BP 100|Empilan BQ 100|Emulan A|Emulphor 24|Emulphor A|Emulphor UN-430|Emulphor VN 430|Estax 38 S.F|Ethofat O|Ethofat O 15|Ethofat O 20|Ethox MO 14|Ethoxylated oleic acid|Ethylan A 2|Ethylan A 3|Ethylan A 4|Ethylan A 6|Ethylene oxide-oleic acid adduct|Extrex P 60|GLYCOLS, POLYETHYLENE, MONOOLEATE|Hamadol OD 600|Interwet 33|Ionet MO 200|Io|103939-39-5|12772-84-8|12789-13-8|1341-62-4|1356488-85-1|1393489-61-6|141927-22-2|1422656-94-7|187620-03-7|1887122-56-6|2227246-29-7|2227246-32-2|2411663-23-3|37223-98-6|37223-99-7|37330-99-7|39316-40-0|41139-27-9|52504-20-8|55126-82-4|55945-62-5|67775-15-9|8013-78-3|8051-25-0|82905-19-9|9007-68-5|914926-86-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027713
ARPathway2016 ARPathway2016_388 Poly(oxyethylene) monoleate 9004-96-0 DTXSID6027713 1.0 Agonist AR Pathway Model, Agonist Model Score 0.104 Unitless CCCCCCCCC=C/CCCCCCCC(=O)OCCO |lp:18:2,19:2,22:2,Sg:n:21,20,19::ht| Poly(oxyethylene) monoleate 9004-96-0|Poly(oxyethylene) monoleate|(Z)-alpha-(1-Oxo-9-octadecenyl)-omega-hydroxypoly(oxy-1,2-ethanediyl)|(Z)-a-(1-Oxo-9-octadecenyl)-o-hydroxypoly(oxy-1,2-ethanediyl)|Adeka Estol OEG 204|Agnique PEG 400MO|Akyporox O 50|Alkamuls 400MO|Alkamuls A 2|Alkasurf O 14|Alkasurf O 75-9|Atlas G 2140|Atlas G 2141|Atlas G 2142|Atlas G 2143|Atlas G 2144|Atlas G 5507|Atlas G 5511|Atlas G-2142|Atlas G-2144|Blaunon O 600SA|Blaunon O 700SA|Cemulsol 1050|Cemulsol A|Cemulsol C 105|Cemulsol D 8|Cemulsol D-8|Chemax E 400MO|Chemester 300-OC|Chemester 300OC|Chimipon OCD|Cithrol 2MO|Cithrol PO|Crodet O 100|Crodet O 40|Dyapol G|Emalex OE 1|Emalex OE 10|Emanon 4110|Emanon 4115|Emcol H 31A|Emerest 2624|Emerest 2646|Emerest 2660|Empilan BP 100|Empilan BQ 100|Emulan A|Emulphor 24|Emulphor A|Emulphor UN-430|Emulphor VN 430|Estax 38 S.F|Ethofat O|Ethofat O 15|Ethofat O 20|Ethox MO 14|Ethoxylated oleic acid|Ethylan A 2|Ethylan A 3|Ethylan A 4|Ethylan A 6|Ethylene oxide-oleic acid adduct|Extrex P 60|GLYCOLS, POLYETHYLENE, MONOOLEATE|Hamadol OD 600|Interwet 33|Ionet MO 200|Io|103939-39-5|12772-84-8|12789-13-8|1341-62-4|1356488-85-1|1393489-61-6|141927-22-2|1422656-94-7|187620-03-7|1887122-56-6|2227246-29-7|2227246-32-2|2411663-23-3|37223-98-6|37223-99-7|37330-99-7|39316-40-0|41139-27-9|52504-20-8|55126-82-4|55945-62-5|67775-15-9|8013-78-3|8051-25-0|82905-19-9|9007-68-5|914926-86-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027713
ARPathway2016 ARPathway2016_388 Poly(oxyethylene) monoleate 9004-96-0 DTXSID6027713 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCC=C/CCCCCCCC(=O)OCCO |lp:18:2,19:2,22:2,Sg:n:21,20,19::ht| Poly(oxyethylene) monoleate 9004-96-0|Poly(oxyethylene) monoleate|(Z)-alpha-(1-Oxo-9-octadecenyl)-omega-hydroxypoly(oxy-1,2-ethanediyl)|(Z)-a-(1-Oxo-9-octadecenyl)-o-hydroxypoly(oxy-1,2-ethanediyl)|Adeka Estol OEG 204|Agnique PEG 400MO|Akyporox O 50|Alkamuls 400MO|Alkamuls A 2|Alkasurf O 14|Alkasurf O 75-9|Atlas G 2140|Atlas G 2141|Atlas G 2142|Atlas G 2143|Atlas G 2144|Atlas G 5507|Atlas G 5511|Atlas G-2142|Atlas G-2144|Blaunon O 600SA|Blaunon O 700SA|Cemulsol 1050|Cemulsol A|Cemulsol C 105|Cemulsol D 8|Cemulsol D-8|Chemax E 400MO|Chemester 300-OC|Chemester 300OC|Chimipon OCD|Cithrol 2MO|Cithrol PO|Crodet O 100|Crodet O 40|Dyapol G|Emalex OE 1|Emalex OE 10|Emanon 4110|Emanon 4115|Emcol H 31A|Emerest 2624|Emerest 2646|Emerest 2660|Empilan BP 100|Empilan BQ 100|Emulan A|Emulphor 24|Emulphor A|Emulphor UN-430|Emulphor VN 430|Estax 38 S.F|Ethofat O|Ethofat O 15|Ethofat O 20|Ethox MO 14|Ethoxylated oleic acid|Ethylan A 2|Ethylan A 3|Ethylan A 4|Ethylan A 6|Ethylene oxide-oleic acid adduct|Extrex P 60|GLYCOLS, POLYETHYLENE, MONOOLEATE|Hamadol OD 600|Interwet 33|Ionet MO 200|Io|103939-39-5|12772-84-8|12789-13-8|1341-62-4|1356488-85-1|1393489-61-6|141927-22-2|1422656-94-7|187620-03-7|1887122-56-6|2227246-29-7|2227246-32-2|2411663-23-3|37223-98-6|37223-99-7|37330-99-7|39316-40-0|41139-27-9|52504-20-8|55126-82-4|55945-62-5|67775-15-9|8013-78-3|8051-25-0|82905-19-9|9007-68-5|914926-86-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027713
ARPathway2016 ARPathway2016_388 Poly(oxyethylene) monoleate 9004-96-0 DTXSID6027713 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless CCCCCCCCC=C/CCCCCCCC(=O)OCCO |lp:18:2,19:2,22:2,Sg:n:21,20,19::ht| Poly(oxyethylene) monoleate 9004-96-0|Poly(oxyethylene) monoleate|(Z)-alpha-(1-Oxo-9-octadecenyl)-omega-hydroxypoly(oxy-1,2-ethanediyl)|(Z)-a-(1-Oxo-9-octadecenyl)-o-hydroxypoly(oxy-1,2-ethanediyl)|Adeka Estol OEG 204|Agnique PEG 400MO|Akyporox O 50|Alkamuls 400MO|Alkamuls A 2|Alkasurf O 14|Alkasurf O 75-9|Atlas G 2140|Atlas G 2141|Atlas G 2142|Atlas G 2143|Atlas G 2144|Atlas G 5507|Atlas G 5511|Atlas G-2142|Atlas G-2144|Blaunon O 600SA|Blaunon O 700SA|Cemulsol 1050|Cemulsol A|Cemulsol C 105|Cemulsol D 8|Cemulsol D-8|Chemax E 400MO|Chemester 300-OC|Chemester 300OC|Chimipon OCD|Cithrol 2MO|Cithrol PO|Crodet O 100|Crodet O 40|Dyapol G|Emalex OE 1|Emalex OE 10|Emanon 4110|Emanon 4115|Emcol H 31A|Emerest 2624|Emerest 2646|Emerest 2660|Empilan BP 100|Empilan BQ 100|Emulan A|Emulphor 24|Emulphor A|Emulphor UN-430|Emulphor VN 430|Estax 38 S.F|Ethofat O|Ethofat O 15|Ethofat O 20|Ethox MO 14|Ethoxylated oleic acid|Ethylan A 2|Ethylan A 3|Ethylan A 4|Ethylan A 6|Ethylene oxide-oleic acid adduct|Extrex P 60|GLYCOLS, POLYETHYLENE, MONOOLEATE|Hamadol OD 600|Interwet 33|Ionet MO 200|Io|103939-39-5|12772-84-8|12789-13-8|1341-62-4|1356488-85-1|1393489-61-6|141927-22-2|1422656-94-7|187620-03-7|1887122-56-6|2227246-29-7|2227246-32-2|2411663-23-3|37223-98-6|37223-99-7|37330-99-7|39316-40-0|41139-27-9|52504-20-8|55126-82-4|55945-62-5|67775-15-9|8013-78-3|8051-25-0|82905-19-9|9007-68-5|914926-86-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027713
ERPathway2016 ERPathway2016_1731 Poly(oxyethylene) monoleate 9004-96-0 DTXSID6027713 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCC=C/CCCCCCCC(=O)OCCO |lp:18:2,19:2,22:2,Sg:n:21,20,19::ht| Poly(oxyethylene) monoleate 9004-96-0|Poly(oxyethylene) monoleate|(Z)-alpha-(1-Oxo-9-octadecenyl)-omega-hydroxypoly(oxy-1,2-ethanediyl)|(Z)-a-(1-Oxo-9-octadecenyl)-o-hydroxypoly(oxy-1,2-ethanediyl)|Adeka Estol OEG 204|Agnique PEG 400MO|Akyporox O 50|Alkamuls 400MO|Alkamuls A 2|Alkasurf O 14|Alkasurf O 75-9|Atlas G 2140|Atlas G 2141|Atlas G 2142|Atlas G 2143|Atlas G 2144|Atlas G 5507|Atlas G 5511|Atlas G-2142|Atlas G-2144|Blaunon O 600SA|Blaunon O 700SA|Cemulsol 1050|Cemulsol A|Cemulsol C 105|Cemulsol D 8|Cemulsol D-8|Chemax E 400MO|Chemester 300-OC|Chemester 300OC|Chimipon OCD|Cithrol 2MO|Cithrol PO|Crodet O 100|Crodet O 40|Dyapol G|Emalex OE 1|Emalex OE 10|Emanon 4110|Emanon 4115|Emcol H 31A|Emerest 2624|Emerest 2646|Emerest 2660|Empilan BP 100|Empilan BQ 100|Emulan A|Emulphor 24|Emulphor A|Emulphor UN-430|Emulphor VN 430|Estax 38 S.F|Ethofat O|Ethofat O 15|Ethofat O 20|Ethox MO 14|Ethoxylated oleic acid|Ethylan A 2|Ethylan A 3|Ethylan A 4|Ethylan A 6|Ethylene oxide-oleic acid adduct|Extrex P 60|GLYCOLS, POLYETHYLENE, MONOOLEATE|Hamadol OD 600|Interwet 33|Ionet MO 200|Io|103939-39-5|12772-84-8|12789-13-8|1341-62-4|1356488-85-1|1393489-61-6|141927-22-2|1422656-94-7|187620-03-7|1887122-56-6|2227246-29-7|2227246-32-2|2411663-23-3|37223-98-6|37223-99-7|37330-99-7|39316-40-0|41139-27-9|52504-20-8|55126-82-4|55945-62-5|67775-15-9|8013-78-3|8051-25-0|82905-19-9|9007-68-5|914926-86-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027713
ERPathway2016 ERPathway2016_1731 Poly(oxyethylene) monoleate 9004-96-0 DTXSID6027713 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCC=C/CCCCCCCC(=O)OCCO |lp:18:2,19:2,22:2,Sg:n:21,20,19::ht| Poly(oxyethylene) monoleate 9004-96-0|Poly(oxyethylene) monoleate|(Z)-alpha-(1-Oxo-9-octadecenyl)-omega-hydroxypoly(oxy-1,2-ethanediyl)|(Z)-a-(1-Oxo-9-octadecenyl)-o-hydroxypoly(oxy-1,2-ethanediyl)|Adeka Estol OEG 204|Agnique PEG 400MO|Akyporox O 50|Alkamuls 400MO|Alkamuls A 2|Alkasurf O 14|Alkasurf O 75-9|Atlas G 2140|Atlas G 2141|Atlas G 2142|Atlas G 2143|Atlas G 2144|Atlas G 5507|Atlas G 5511|Atlas G-2142|Atlas G-2144|Blaunon O 600SA|Blaunon O 700SA|Cemulsol 1050|Cemulsol A|Cemulsol C 105|Cemulsol D 8|Cemulsol D-8|Chemax E 400MO|Chemester 300-OC|Chemester 300OC|Chimipon OCD|Cithrol 2MO|Cithrol PO|Crodet O 100|Crodet O 40|Dyapol G|Emalex OE 1|Emalex OE 10|Emanon 4110|Emanon 4115|Emcol H 31A|Emerest 2624|Emerest 2646|Emerest 2660|Empilan BP 100|Empilan BQ 100|Emulan A|Emulphor 24|Emulphor A|Emulphor UN-430|Emulphor VN 430|Estax 38 S.F|Ethofat O|Ethofat O 15|Ethofat O 20|Ethox MO 14|Ethoxylated oleic acid|Ethylan A 2|Ethylan A 3|Ethylan A 4|Ethylan A 6|Ethylene oxide-oleic acid adduct|Extrex P 60|GLYCOLS, POLYETHYLENE, MONOOLEATE|Hamadol OD 600|Interwet 33|Ionet MO 200|Io|103939-39-5|12772-84-8|12789-13-8|1341-62-4|1356488-85-1|1393489-61-6|141927-22-2|1422656-94-7|187620-03-7|1887122-56-6|2227246-29-7|2227246-32-2|2411663-23-3|37223-98-6|37223-99-7|37330-99-7|39316-40-0|41139-27-9|52504-20-8|55126-82-4|55945-62-5|67775-15-9|8013-78-3|8051-25-0|82905-19-9|9007-68-5|914926-86-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027713
ERPathway2016 ERPathway2016_1731 Poly(oxyethylene) monoleate 9004-96-0 DTXSID6027713 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCC=C/CCCCCCCC(=O)OCCO |lp:18:2,19:2,22:2,Sg:n:21,20,19::ht| Poly(oxyethylene) monoleate 9004-96-0|Poly(oxyethylene) monoleate|(Z)-alpha-(1-Oxo-9-octadecenyl)-omega-hydroxypoly(oxy-1,2-ethanediyl)|(Z)-a-(1-Oxo-9-octadecenyl)-o-hydroxypoly(oxy-1,2-ethanediyl)|Adeka Estol OEG 204|Agnique PEG 400MO|Akyporox O 50|Alkamuls 400MO|Alkamuls A 2|Alkasurf O 14|Alkasurf O 75-9|Atlas G 2140|Atlas G 2141|Atlas G 2142|Atlas G 2143|Atlas G 2144|Atlas G 5507|Atlas G 5511|Atlas G-2142|Atlas G-2144|Blaunon O 600SA|Blaunon O 700SA|Cemulsol 1050|Cemulsol A|Cemulsol C 105|Cemulsol D 8|Cemulsol D-8|Chemax E 400MO|Chemester 300-OC|Chemester 300OC|Chimipon OCD|Cithrol 2MO|Cithrol PO|Crodet O 100|Crodet O 40|Dyapol G|Emalex OE 1|Emalex OE 10|Emanon 4110|Emanon 4115|Emcol H 31A|Emerest 2624|Emerest 2646|Emerest 2660|Empilan BP 100|Empilan BQ 100|Emulan A|Emulphor 24|Emulphor A|Emulphor UN-430|Emulphor VN 430|Estax 38 S.F|Ethofat O|Ethofat O 15|Ethofat O 20|Ethox MO 14|Ethoxylated oleic acid|Ethylan A 2|Ethylan A 3|Ethylan A 4|Ethylan A 6|Ethylene oxide-oleic acid adduct|Extrex P 60|GLYCOLS, POLYETHYLENE, MONOOLEATE|Hamadol OD 600|Interwet 33|Ionet MO 200|Io|103939-39-5|12772-84-8|12789-13-8|1341-62-4|1356488-85-1|1393489-61-6|141927-22-2|1422656-94-7|187620-03-7|1887122-56-6|2227246-29-7|2227246-32-2|2411663-23-3|37223-98-6|37223-99-7|37330-99-7|39316-40-0|41139-27-9|52504-20-8|55126-82-4|55945-62-5|67775-15-9|8013-78-3|8051-25-0|82905-19-9|9007-68-5|914926-86-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027713
ERPathway2016 ERPathway2016_1731 Poly(oxyethylene) monoleate 9004-96-0 DTXSID6027713 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC=C/CCCCCCCC(=O)OCCO |lp:18:2,19:2,22:2,Sg:n:21,20,19::ht| Poly(oxyethylene) monoleate 9004-96-0|Poly(oxyethylene) monoleate|(Z)-alpha-(1-Oxo-9-octadecenyl)-omega-hydroxypoly(oxy-1,2-ethanediyl)|(Z)-a-(1-Oxo-9-octadecenyl)-o-hydroxypoly(oxy-1,2-ethanediyl)|Adeka Estol OEG 204|Agnique PEG 400MO|Akyporox O 50|Alkamuls 400MO|Alkamuls A 2|Alkasurf O 14|Alkasurf O 75-9|Atlas G 2140|Atlas G 2141|Atlas G 2142|Atlas G 2143|Atlas G 2144|Atlas G 5507|Atlas G 5511|Atlas G-2142|Atlas G-2144|Blaunon O 600SA|Blaunon O 700SA|Cemulsol 1050|Cemulsol A|Cemulsol C 105|Cemulsol D 8|Cemulsol D-8|Chemax E 400MO|Chemester 300-OC|Chemester 300OC|Chimipon OCD|Cithrol 2MO|Cithrol PO|Crodet O 100|Crodet O 40|Dyapol G|Emalex OE 1|Emalex OE 10|Emanon 4110|Emanon 4115|Emcol H 31A|Emerest 2624|Emerest 2646|Emerest 2660|Empilan BP 100|Empilan BQ 100|Emulan A|Emulphor 24|Emulphor A|Emulphor UN-430|Emulphor VN 430|Estax 38 S.F|Ethofat O|Ethofat O 15|Ethofat O 20|Ethox MO 14|Ethoxylated oleic acid|Ethylan A 2|Ethylan A 3|Ethylan A 4|Ethylan A 6|Ethylene oxide-oleic acid adduct|Extrex P 60|GLYCOLS, POLYETHYLENE, MONOOLEATE|Hamadol OD 600|Interwet 33|Ionet MO 200|Io|103939-39-5|12772-84-8|12789-13-8|1341-62-4|1356488-85-1|1393489-61-6|141927-22-2|1422656-94-7|187620-03-7|1887122-56-6|2227246-29-7|2227246-32-2|2411663-23-3|37223-98-6|37223-99-7|37330-99-7|39316-40-0|41139-27-9|52504-20-8|55126-82-4|55945-62-5|67775-15-9|8013-78-3|8051-25-0|82905-19-9|9007-68-5|914926-86-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027713
ARPathway2016 ARPathway2016_1701 Poly[oxy(dimethylsilylene)] 9016-00-6 DTXSID9023833 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C[Si](C)(-*)O-* |$;;;star_e;;star_e$,lp:4:2,Sg:n:5,3,2,0,4,1::ht| Poly[oxy(dimethylsilylene)] 9016-00-6|Poly[oxy(dimethylsilylene)]|A 50 (silicone)|Accuglass 210|Accuglass 211|Accuglass 305|Aeropax|Akvastop|Antaphron NM 42|Antifoam A compd|Antifoam FD 62|Antifoam FG 10|Antifoam M 30|Aquasil E|ASI 100 Methyl|Barrel Silicone M 1000|Baysilone M 50EL|Baysilone MA|Baysilone OEL|Belsil 1000|Belsil DM 500|Bicolon|BIO-PSA Q 7-4301|BYK-UV 32510|Chaline Buruba 520C|Chiroflex C 11UB|CoatOSil 3500|CoatOSil 3501|Colcoat N 103|DC 200 Fluid 5|DC 200-100000CS|DC 200-350CS|DC-MDX 4-4139|Dehesive 930|Delesan|Delomet 2301WS|Di-Me polysiloxane|Di-Me silicone|Di-Me siloxane|Di-Me siloxane, SRU|Dimethicone 200SF|Dimethyl silicone|DIMETHYL SILOXANE POLYMER|Dimethyl siloxane, sru|Dimethyldichlorosilane hydrolytic polymer, sru|Dimethylethoxysilane homopolymer, sru|Dimethylpolysiloxane|Dimethylpolysiloxanes|Dimethylsilanediol homopolymer, SRU|Dimethylsilanediol polymer, sru|Dimethylsiloxane homopolymer, SRU|Dow Corning 120|Dow Corning 1274|Dow Corning 1400|Dow Corning 1410AF|Dow Corning 1650|Dow Corning 1668|Dow Corning 1786|Dow Corning 2-1184|Dow Corning 2-1691|D|109946-28-3|110616-98-3|118731-39-8|123243-00-5|123515-75-3|12619-98-6|12620-09-6|12680-27-2|12680-28-3|141093-32-5|231934-55-7|2319702-71-9|247174-77-2|2769818-29-1|37200-44-5|37221-89-9|37267-73-5|37340-53-7|387334-72-7|387334-73-8|387334-74-9|39457-57-3|39476-41-0|444348-83-8|51569-26-7|51888-90-5|51910-51-1|52232-96-9|52622-98-7|53125-20-5|53239-64-8|54351-38-1|54351-90-5|56730-54-2|57486-07-4|57679-15-9|58391-68-7|60440-54-2|60842-63-9|697286-36-5|90250-23-0|9049-10-9|9063-73-4|9087-48-3|9087-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023833 https://doi.org/10.22427/NTP-DATA-DTXSID9023833
ARPathway2016 ARPathway2016_1701 Poly[oxy(dimethylsilylene)] 9016-00-6 DTXSID9023833 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C[Si](C)(-*)O-* |$;;;star_e;;star_e$,lp:4:2,Sg:n:5,3,2,0,4,1::ht| Poly[oxy(dimethylsilylene)] 9016-00-6|Poly[oxy(dimethylsilylene)]|A 50 (silicone)|Accuglass 210|Accuglass 211|Accuglass 305|Aeropax|Akvastop|Antaphron NM 42|Antifoam A compd|Antifoam FD 62|Antifoam FG 10|Antifoam M 30|Aquasil E|ASI 100 Methyl|Barrel Silicone M 1000|Baysilone M 50EL|Baysilone MA|Baysilone OEL|Belsil 1000|Belsil DM 500|Bicolon|BIO-PSA Q 7-4301|BYK-UV 32510|Chaline Buruba 520C|Chiroflex C 11UB|CoatOSil 3500|CoatOSil 3501|Colcoat N 103|DC 200 Fluid 5|DC 200-100000CS|DC 200-350CS|DC-MDX 4-4139|Dehesive 930|Delesan|Delomet 2301WS|Di-Me polysiloxane|Di-Me silicone|Di-Me siloxane|Di-Me siloxane, SRU|Dimethicone 200SF|Dimethyl silicone|DIMETHYL SILOXANE POLYMER|Dimethyl siloxane, sru|Dimethyldichlorosilane hydrolytic polymer, sru|Dimethylethoxysilane homopolymer, sru|Dimethylpolysiloxane|Dimethylpolysiloxanes|Dimethylsilanediol homopolymer, SRU|Dimethylsilanediol polymer, sru|Dimethylsiloxane homopolymer, SRU|Dow Corning 120|Dow Corning 1274|Dow Corning 1400|Dow Corning 1410AF|Dow Corning 1650|Dow Corning 1668|Dow Corning 1786|Dow Corning 2-1184|Dow Corning 2-1691|D|109946-28-3|110616-98-3|118731-39-8|123243-00-5|123515-75-3|12619-98-6|12620-09-6|12680-27-2|12680-28-3|141093-32-5|231934-55-7|2319702-71-9|247174-77-2|2769818-29-1|37200-44-5|37221-89-9|37267-73-5|37340-53-7|387334-72-7|387334-73-8|387334-74-9|39457-57-3|39476-41-0|444348-83-8|51569-26-7|51888-90-5|51910-51-1|52232-96-9|52622-98-7|53125-20-5|53239-64-8|54351-38-1|54351-90-5|56730-54-2|57486-07-4|57679-15-9|58391-68-7|60440-54-2|60842-63-9|697286-36-5|90250-23-0|9049-10-9|9063-73-4|9087-48-3|9087-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023833 https://doi.org/10.22427/NTP-DATA-DTXSID9023833
ARPathway2016 ARPathway2016_1701 Poly[oxy(dimethylsilylene)] 9016-00-6 DTXSID9023833 0.0 AR Pathway Model, Agonist Call Inactive Unitless C[Si](C)(-*)O-* |$;;;star_e;;star_e$,lp:4:2,Sg:n:5,3,2,0,4,1::ht| Poly[oxy(dimethylsilylene)] 9016-00-6|Poly[oxy(dimethylsilylene)]|A 50 (silicone)|Accuglass 210|Accuglass 211|Accuglass 305|Aeropax|Akvastop|Antaphron NM 42|Antifoam A compd|Antifoam FD 62|Antifoam FG 10|Antifoam M 30|Aquasil E|ASI 100 Methyl|Barrel Silicone M 1000|Baysilone M 50EL|Baysilone MA|Baysilone OEL|Belsil 1000|Belsil DM 500|Bicolon|BIO-PSA Q 7-4301|BYK-UV 32510|Chaline Buruba 520C|Chiroflex C 11UB|CoatOSil 3500|CoatOSil 3501|Colcoat N 103|DC 200 Fluid 5|DC 200-100000CS|DC 200-350CS|DC-MDX 4-4139|Dehesive 930|Delesan|Delomet 2301WS|Di-Me polysiloxane|Di-Me silicone|Di-Me siloxane|Di-Me siloxane, SRU|Dimethicone 200SF|Dimethyl silicone|DIMETHYL SILOXANE POLYMER|Dimethyl siloxane, sru|Dimethyldichlorosilane hydrolytic polymer, sru|Dimethylethoxysilane homopolymer, sru|Dimethylpolysiloxane|Dimethylpolysiloxanes|Dimethylsilanediol homopolymer, SRU|Dimethylsilanediol polymer, sru|Dimethylsiloxane homopolymer, SRU|Dow Corning 120|Dow Corning 1274|Dow Corning 1400|Dow Corning 1410AF|Dow Corning 1650|Dow Corning 1668|Dow Corning 1786|Dow Corning 2-1184|Dow Corning 2-1691|D|109946-28-3|110616-98-3|118731-39-8|123243-00-5|123515-75-3|12619-98-6|12620-09-6|12680-27-2|12680-28-3|141093-32-5|231934-55-7|2319702-71-9|247174-77-2|2769818-29-1|37200-44-5|37221-89-9|37267-73-5|37340-53-7|387334-72-7|387334-73-8|387334-74-9|39457-57-3|39476-41-0|444348-83-8|51569-26-7|51888-90-5|51910-51-1|52232-96-9|52622-98-7|53125-20-5|53239-64-8|54351-38-1|54351-90-5|56730-54-2|57486-07-4|57679-15-9|58391-68-7|60440-54-2|60842-63-9|697286-36-5|90250-23-0|9049-10-9|9063-73-4|9087-48-3|9087-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023833 https://doi.org/10.22427/NTP-DATA-DTXSID9023833
ARPathway2016 ARPathway2016_1701 Poly[oxy(dimethylsilylene)] 9016-00-6 DTXSID9023833 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C[Si](C)(-*)O-* |$;;;star_e;;star_e$,lp:4:2,Sg:n:5,3,2,0,4,1::ht| Poly[oxy(dimethylsilylene)] 9016-00-6|Poly[oxy(dimethylsilylene)]|A 50 (silicone)|Accuglass 210|Accuglass 211|Accuglass 305|Aeropax|Akvastop|Antaphron NM 42|Antifoam A compd|Antifoam FD 62|Antifoam FG 10|Antifoam M 30|Aquasil E|ASI 100 Methyl|Barrel Silicone M 1000|Baysilone M 50EL|Baysilone MA|Baysilone OEL|Belsil 1000|Belsil DM 500|Bicolon|BIO-PSA Q 7-4301|BYK-UV 32510|Chaline Buruba 520C|Chiroflex C 11UB|CoatOSil 3500|CoatOSil 3501|Colcoat N 103|DC 200 Fluid 5|DC 200-100000CS|DC 200-350CS|DC-MDX 4-4139|Dehesive 930|Delesan|Delomet 2301WS|Di-Me polysiloxane|Di-Me silicone|Di-Me siloxane|Di-Me siloxane, SRU|Dimethicone 200SF|Dimethyl silicone|DIMETHYL SILOXANE POLYMER|Dimethyl siloxane, sru|Dimethyldichlorosilane hydrolytic polymer, sru|Dimethylethoxysilane homopolymer, sru|Dimethylpolysiloxane|Dimethylpolysiloxanes|Dimethylsilanediol homopolymer, SRU|Dimethylsilanediol polymer, sru|Dimethylsiloxane homopolymer, SRU|Dow Corning 120|Dow Corning 1274|Dow Corning 1400|Dow Corning 1410AF|Dow Corning 1650|Dow Corning 1668|Dow Corning 1786|Dow Corning 2-1184|Dow Corning 2-1691|D|109946-28-3|110616-98-3|118731-39-8|123243-00-5|123515-75-3|12619-98-6|12620-09-6|12680-27-2|12680-28-3|141093-32-5|231934-55-7|2319702-71-9|247174-77-2|2769818-29-1|37200-44-5|37221-89-9|37267-73-5|37340-53-7|387334-72-7|387334-73-8|387334-74-9|39457-57-3|39476-41-0|444348-83-8|51569-26-7|51888-90-5|51910-51-1|52232-96-9|52622-98-7|53125-20-5|53239-64-8|54351-38-1|54351-90-5|56730-54-2|57486-07-4|57679-15-9|58391-68-7|60440-54-2|60842-63-9|697286-36-5|90250-23-0|9049-10-9|9063-73-4|9087-48-3|9087-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023833 https://doi.org/10.22427/NTP-DATA-DTXSID9023833
ERPathway2016 ERPathway2016_1734 Poly[oxy(dimethylsilylene)] 9016-00-6 DTXSID9023833 ER Pathway Model, Agonist Model Score 0 Unitless C[Si](C)(-*)O-* |$;;;star_e;;star_e$,lp:4:2,Sg:n:5,3,2,0,4,1::ht| Poly[oxy(dimethylsilylene)] 9016-00-6|Poly[oxy(dimethylsilylene)]|A 50 (silicone)|Accuglass 210|Accuglass 211|Accuglass 305|Aeropax|Akvastop|Antaphron NM 42|Antifoam A compd|Antifoam FD 62|Antifoam FG 10|Antifoam M 30|Aquasil E|ASI 100 Methyl|Barrel Silicone M 1000|Baysilone M 50EL|Baysilone MA|Baysilone OEL|Belsil 1000|Belsil DM 500|Bicolon|BIO-PSA Q 7-4301|BYK-UV 32510|Chaline Buruba 520C|Chiroflex C 11UB|CoatOSil 3500|CoatOSil 3501|Colcoat N 103|DC 200 Fluid 5|DC 200-100000CS|DC 200-350CS|DC-MDX 4-4139|Dehesive 930|Delesan|Delomet 2301WS|Di-Me polysiloxane|Di-Me silicone|Di-Me siloxane|Di-Me siloxane, SRU|Dimethicone 200SF|Dimethyl silicone|DIMETHYL SILOXANE POLYMER|Dimethyl siloxane, sru|Dimethyldichlorosilane hydrolytic polymer, sru|Dimethylethoxysilane homopolymer, sru|Dimethylpolysiloxane|Dimethylpolysiloxanes|Dimethylsilanediol homopolymer, SRU|Dimethylsilanediol polymer, sru|Dimethylsiloxane homopolymer, SRU|Dow Corning 120|Dow Corning 1274|Dow Corning 1400|Dow Corning 1410AF|Dow Corning 1650|Dow Corning 1668|Dow Corning 1786|Dow Corning 2-1184|Dow Corning 2-1691|D|109946-28-3|110616-98-3|118731-39-8|123243-00-5|123515-75-3|12619-98-6|12620-09-6|12680-27-2|12680-28-3|141093-32-5|231934-55-7|2319702-71-9|247174-77-2|2769818-29-1|37200-44-5|37221-89-9|37267-73-5|37340-53-7|387334-72-7|387334-73-8|387334-74-9|39457-57-3|39476-41-0|444348-83-8|51569-26-7|51888-90-5|51910-51-1|52232-96-9|52622-98-7|53125-20-5|53239-64-8|54351-38-1|54351-90-5|56730-54-2|57486-07-4|57679-15-9|58391-68-7|60440-54-2|60842-63-9|697286-36-5|90250-23-0|9049-10-9|9063-73-4|9087-48-3|9087-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023833 https://doi.org/10.22427/NTP-DATA-DTXSID9023833
ERPathway2016 ERPathway2016_1734 Poly[oxy(dimethylsilylene)] 9016-00-6 DTXSID9023833 ER Pathway Model, Antagonist Model Score 0 Unitless C[Si](C)(-*)O-* |$;;;star_e;;star_e$,lp:4:2,Sg:n:5,3,2,0,4,1::ht| Poly[oxy(dimethylsilylene)] 9016-00-6|Poly[oxy(dimethylsilylene)]|A 50 (silicone)|Accuglass 210|Accuglass 211|Accuglass 305|Aeropax|Akvastop|Antaphron NM 42|Antifoam A compd|Antifoam FD 62|Antifoam FG 10|Antifoam M 30|Aquasil E|ASI 100 Methyl|Barrel Silicone M 1000|Baysilone M 50EL|Baysilone MA|Baysilone OEL|Belsil 1000|Belsil DM 500|Bicolon|BIO-PSA Q 7-4301|BYK-UV 32510|Chaline Buruba 520C|Chiroflex C 11UB|CoatOSil 3500|CoatOSil 3501|Colcoat N 103|DC 200 Fluid 5|DC 200-100000CS|DC 200-350CS|DC-MDX 4-4139|Dehesive 930|Delesan|Delomet 2301WS|Di-Me polysiloxane|Di-Me silicone|Di-Me siloxane|Di-Me siloxane, SRU|Dimethicone 200SF|Dimethyl silicone|DIMETHYL SILOXANE POLYMER|Dimethyl siloxane, sru|Dimethyldichlorosilane hydrolytic polymer, sru|Dimethylethoxysilane homopolymer, sru|Dimethylpolysiloxane|Dimethylpolysiloxanes|Dimethylsilanediol homopolymer, SRU|Dimethylsilanediol polymer, sru|Dimethylsiloxane homopolymer, SRU|Dow Corning 120|Dow Corning 1274|Dow Corning 1400|Dow Corning 1410AF|Dow Corning 1650|Dow Corning 1668|Dow Corning 1786|Dow Corning 2-1184|Dow Corning 2-1691|D|109946-28-3|110616-98-3|118731-39-8|123243-00-5|123515-75-3|12619-98-6|12620-09-6|12680-27-2|12680-28-3|141093-32-5|231934-55-7|2319702-71-9|247174-77-2|2769818-29-1|37200-44-5|37221-89-9|37267-73-5|37340-53-7|387334-72-7|387334-73-8|387334-74-9|39457-57-3|39476-41-0|444348-83-8|51569-26-7|51888-90-5|51910-51-1|52232-96-9|52622-98-7|53125-20-5|53239-64-8|54351-38-1|54351-90-5|56730-54-2|57486-07-4|57679-15-9|58391-68-7|60440-54-2|60842-63-9|697286-36-5|90250-23-0|9049-10-9|9063-73-4|9087-48-3|9087-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023833 https://doi.org/10.22427/NTP-DATA-DTXSID9023833
ERPathway2016 ERPathway2016_1734 Poly[oxy(dimethylsilylene)] 9016-00-6 DTXSID9023833 ER Pathway Model, Agonist Call Inactive Unitless C[Si](C)(-*)O-* |$;;;star_e;;star_e$,lp:4:2,Sg:n:5,3,2,0,4,1::ht| Poly[oxy(dimethylsilylene)] 9016-00-6|Poly[oxy(dimethylsilylene)]|A 50 (silicone)|Accuglass 210|Accuglass 211|Accuglass 305|Aeropax|Akvastop|Antaphron NM 42|Antifoam A compd|Antifoam FD 62|Antifoam FG 10|Antifoam M 30|Aquasil E|ASI 100 Methyl|Barrel Silicone M 1000|Baysilone M 50EL|Baysilone MA|Baysilone OEL|Belsil 1000|Belsil DM 500|Bicolon|BIO-PSA Q 7-4301|BYK-UV 32510|Chaline Buruba 520C|Chiroflex C 11UB|CoatOSil 3500|CoatOSil 3501|Colcoat N 103|DC 200 Fluid 5|DC 200-100000CS|DC 200-350CS|DC-MDX 4-4139|Dehesive 930|Delesan|Delomet 2301WS|Di-Me polysiloxane|Di-Me silicone|Di-Me siloxane|Di-Me siloxane, SRU|Dimethicone 200SF|Dimethyl silicone|DIMETHYL SILOXANE POLYMER|Dimethyl siloxane, sru|Dimethyldichlorosilane hydrolytic polymer, sru|Dimethylethoxysilane homopolymer, sru|Dimethylpolysiloxane|Dimethylpolysiloxanes|Dimethylsilanediol homopolymer, SRU|Dimethylsilanediol polymer, sru|Dimethylsiloxane homopolymer, SRU|Dow Corning 120|Dow Corning 1274|Dow Corning 1400|Dow Corning 1410AF|Dow Corning 1650|Dow Corning 1668|Dow Corning 1786|Dow Corning 2-1184|Dow Corning 2-1691|D|109946-28-3|110616-98-3|118731-39-8|123243-00-5|123515-75-3|12619-98-6|12620-09-6|12680-27-2|12680-28-3|141093-32-5|231934-55-7|2319702-71-9|247174-77-2|2769818-29-1|37200-44-5|37221-89-9|37267-73-5|37340-53-7|387334-72-7|387334-73-8|387334-74-9|39457-57-3|39476-41-0|444348-83-8|51569-26-7|51888-90-5|51910-51-1|52232-96-9|52622-98-7|53125-20-5|53239-64-8|54351-38-1|54351-90-5|56730-54-2|57486-07-4|57679-15-9|58391-68-7|60440-54-2|60842-63-9|697286-36-5|90250-23-0|9049-10-9|9063-73-4|9087-48-3|9087-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023833 https://doi.org/10.22427/NTP-DATA-DTXSID9023833
ERPathway2016 ERPathway2016_1734 Poly[oxy(dimethylsilylene)] 9016-00-6 DTXSID9023833 ER Pathway Model, Antagonist Call Inactive Unitless C[Si](C)(-*)O-* |$;;;star_e;;star_e$,lp:4:2,Sg:n:5,3,2,0,4,1::ht| Poly[oxy(dimethylsilylene)] 9016-00-6|Poly[oxy(dimethylsilylene)]|A 50 (silicone)|Accuglass 210|Accuglass 211|Accuglass 305|Aeropax|Akvastop|Antaphron NM 42|Antifoam A compd|Antifoam FD 62|Antifoam FG 10|Antifoam M 30|Aquasil E|ASI 100 Methyl|Barrel Silicone M 1000|Baysilone M 50EL|Baysilone MA|Baysilone OEL|Belsil 1000|Belsil DM 500|Bicolon|BIO-PSA Q 7-4301|BYK-UV 32510|Chaline Buruba 520C|Chiroflex C 11UB|CoatOSil 3500|CoatOSil 3501|Colcoat N 103|DC 200 Fluid 5|DC 200-100000CS|DC 200-350CS|DC-MDX 4-4139|Dehesive 930|Delesan|Delomet 2301WS|Di-Me polysiloxane|Di-Me silicone|Di-Me siloxane|Di-Me siloxane, SRU|Dimethicone 200SF|Dimethyl silicone|DIMETHYL SILOXANE POLYMER|Dimethyl siloxane, sru|Dimethyldichlorosilane hydrolytic polymer, sru|Dimethylethoxysilane homopolymer, sru|Dimethylpolysiloxane|Dimethylpolysiloxanes|Dimethylsilanediol homopolymer, SRU|Dimethylsilanediol polymer, sru|Dimethylsiloxane homopolymer, SRU|Dow Corning 120|Dow Corning 1274|Dow Corning 1400|Dow Corning 1410AF|Dow Corning 1650|Dow Corning 1668|Dow Corning 1786|Dow Corning 2-1184|Dow Corning 2-1691|D|109946-28-3|110616-98-3|118731-39-8|123243-00-5|123515-75-3|12619-98-6|12620-09-6|12680-27-2|12680-28-3|141093-32-5|231934-55-7|2319702-71-9|247174-77-2|2769818-29-1|37200-44-5|37221-89-9|37267-73-5|37340-53-7|387334-72-7|387334-73-8|387334-74-9|39457-57-3|39476-41-0|444348-83-8|51569-26-7|51888-90-5|51910-51-1|52232-96-9|52622-98-7|53125-20-5|53239-64-8|54351-38-1|54351-90-5|56730-54-2|57486-07-4|57679-15-9|58391-68-7|60440-54-2|60842-63-9|697286-36-5|90250-23-0|9049-10-9|9063-73-4|9087-48-3|9087-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023833 https://doi.org/10.22427/NTP-DATA-DTXSID9023833
ARPathway2016 ARPathway2016_1702 Polymethylene polyphenyl polyisocyanate 9016-87-9 DTXSID3047473 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Polymethylene polyphenyl polyisocyanate 9016-87-9|Polymethylene polyphenyl polyisocyanate|Adeka Bon-Tighter UCX 853|Arathane AW 8680|Autofroth 9300A|Bayfit 566A|Baytec ENC 5006|Burnock 9-409|C-MDI 44V20|Caradate 30|Coronate 1039|Coronate 1104|Coronate 1107|Coronate 1110|Coronate 1130|Coronate 1133|Coronate 1144|Coronate 1155|Coronate 1156|Coronate 1170|Coronate 2520|Coronate 3053|Coronate MR 100|Coronate MR 200|Cosmonate 200PDMI|Cosmonate CR 200|Cosmonate M 100|Cosmonate M 1500|Cosmonate M 200|Cosmonate M 201W|Cosmonate M 23|Cosmonate M 24|Cosmonate M 250W|Cosmonate M 270W|Cosmonate M 300|Cosmonate M 3000|Cosmonate M 400|Cosmonate M 50|Cosmonate M 700|Cosmonate MC 83|Cosmonate TM 50|Cosmonate UR 4000|Crude MDI|Desmodur 1520A2|Desmodur 44V10L|Desmodur 44V20|Desmodur 44V20L|Desmodur 44V40L|Desmodur 44V70|Desmodur 44V70L|Desmodur MP 100|Desmodur PU 1520A20|Desmodur V|Desmodur VK|Desmodur VK 200|Desmodur VK 5|Desmodur VK 70|Desmodur VKS 18|Desmodur VKS 70|Desmodur VL|Desmodur VL-R 10|Desmodur VL-R 20|Diisocyanate de polymethylenepolyphenylene|Dynopur 9200|Emusheebu AN 74P|Emushibu BN 02P|Foamlite M 12|101840-81-7|103106-61-2|103812-90-4|1058663-20-9|107231-85-6|108021-94-9|111310-30-6|116439-26-0|120528-46-3|120797-37-7|1228530-76-4|1262791-71-8|129406-02-6|1306717-73-6|133686-81-4|1342796-19-3|1352205-75-4|1360626-75-0|137397-93-4|138069-64-4|1391766-65-6|141255-78-9|1422250-40-5|143476-94-2|147445-25-8|153190-02-4|154102-11-1|154609-09-3|154766-26-4|1551129-98-6|160477-36-1|162355-20-6|162628-81-1|172826-96-9|178464-28-3|183563-24-8|184539-09-1|1916516-88-5|203743-04-8|203944-48-3|208196-65-0|209252-36-8|211991-83-2|212569-27-2|219753-20-5|2197919-83-6|2245688-66-6|2245688-98-4|2256033-79-9|2286220-28-6|2376783-26-3|2417424-10-1|247940-58-5|2696284-07-6|283603-33-8|300852-58-8|315680-13-8|37291-69-3|37370-30-2|379692-85-0|39278-75-6|478809-08-4|484655-09-6|50814-42-1|51059-16-6|51810-20-9|54018-19-8|56273-49-5|59392-73-3|612824-05-2|61642-52-2|66174-31-0|667447-28-1|69345-95-5|71061-20-6|74315-87-0|75026-14-1|76600-86-7|81031-80-3|81406-01-1|83271-42-5|83271-43-6|83512-90-7|85497-20-7|86473-20-3|87139-88 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047473
ARPathway2016 ARPathway2016_1702 Polymethylene polyphenyl polyisocyanate 9016-87-9 DTXSID3047473 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Polymethylene polyphenyl polyisocyanate 9016-87-9|Polymethylene polyphenyl polyisocyanate|Adeka Bon-Tighter UCX 853|Arathane AW 8680|Autofroth 9300A|Bayfit 566A|Baytec ENC 5006|Burnock 9-409|C-MDI 44V20|Caradate 30|Coronate 1039|Coronate 1104|Coronate 1107|Coronate 1110|Coronate 1130|Coronate 1133|Coronate 1144|Coronate 1155|Coronate 1156|Coronate 1170|Coronate 2520|Coronate 3053|Coronate MR 100|Coronate MR 200|Cosmonate 200PDMI|Cosmonate CR 200|Cosmonate M 100|Cosmonate M 1500|Cosmonate M 200|Cosmonate M 201W|Cosmonate M 23|Cosmonate M 24|Cosmonate M 250W|Cosmonate M 270W|Cosmonate M 300|Cosmonate M 3000|Cosmonate M 400|Cosmonate M 50|Cosmonate M 700|Cosmonate MC 83|Cosmonate TM 50|Cosmonate UR 4000|Crude MDI|Desmodur 1520A2|Desmodur 44V10L|Desmodur 44V20|Desmodur 44V20L|Desmodur 44V40L|Desmodur 44V70|Desmodur 44V70L|Desmodur MP 100|Desmodur PU 1520A20|Desmodur V|Desmodur VK|Desmodur VK 200|Desmodur VK 5|Desmodur VK 70|Desmodur VKS 18|Desmodur VKS 70|Desmodur VL|Desmodur VL-R 10|Desmodur VL-R 20|Diisocyanate de polymethylenepolyphenylene|Dynopur 9200|Emusheebu AN 74P|Emushibu BN 02P|Foamlite M 12|101840-81-7|103106-61-2|103812-90-4|1058663-20-9|107231-85-6|108021-94-9|111310-30-6|116439-26-0|120528-46-3|120797-37-7|1228530-76-4|1262791-71-8|129406-02-6|1306717-73-6|133686-81-4|1342796-19-3|1352205-75-4|1360626-75-0|137397-93-4|138069-64-4|1391766-65-6|141255-78-9|1422250-40-5|143476-94-2|147445-25-8|153190-02-4|154102-11-1|154609-09-3|154766-26-4|1551129-98-6|160477-36-1|162355-20-6|162628-81-1|172826-96-9|178464-28-3|183563-24-8|184539-09-1|1916516-88-5|203743-04-8|203944-48-3|208196-65-0|209252-36-8|211991-83-2|212569-27-2|219753-20-5|2197919-83-6|2245688-66-6|2245688-98-4|2256033-79-9|2286220-28-6|2376783-26-3|2417424-10-1|247940-58-5|2696284-07-6|283603-33-8|300852-58-8|315680-13-8|37291-69-3|37370-30-2|379692-85-0|39278-75-6|478809-08-4|484655-09-6|50814-42-1|51059-16-6|51810-20-9|54018-19-8|56273-49-5|59392-73-3|612824-05-2|61642-52-2|66174-31-0|667447-28-1|69345-95-5|71061-20-6|74315-87-0|75026-14-1|76600-86-7|81031-80-3|81406-01-1|83271-42-5|83271-43-6|83512-90-7|85497-20-7|86473-20-3|87139-88 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047473
ARPathway2016 ARPathway2016_1702 Polymethylene polyphenyl polyisocyanate 9016-87-9 DTXSID3047473 0.0 AR Pathway Model, Agonist Call Inactive Unitless Polymethylene polyphenyl polyisocyanate 9016-87-9|Polymethylene polyphenyl polyisocyanate|Adeka Bon-Tighter UCX 853|Arathane AW 8680|Autofroth 9300A|Bayfit 566A|Baytec ENC 5006|Burnock 9-409|C-MDI 44V20|Caradate 30|Coronate 1039|Coronate 1104|Coronate 1107|Coronate 1110|Coronate 1130|Coronate 1133|Coronate 1144|Coronate 1155|Coronate 1156|Coronate 1170|Coronate 2520|Coronate 3053|Coronate MR 100|Coronate MR 200|Cosmonate 200PDMI|Cosmonate CR 200|Cosmonate M 100|Cosmonate M 1500|Cosmonate M 200|Cosmonate M 201W|Cosmonate M 23|Cosmonate M 24|Cosmonate M 250W|Cosmonate M 270W|Cosmonate M 300|Cosmonate M 3000|Cosmonate M 400|Cosmonate M 50|Cosmonate M 700|Cosmonate MC 83|Cosmonate TM 50|Cosmonate UR 4000|Crude MDI|Desmodur 1520A2|Desmodur 44V10L|Desmodur 44V20|Desmodur 44V20L|Desmodur 44V40L|Desmodur 44V70|Desmodur 44V70L|Desmodur MP 100|Desmodur PU 1520A20|Desmodur V|Desmodur VK|Desmodur VK 200|Desmodur VK 5|Desmodur VK 70|Desmodur VKS 18|Desmodur VKS 70|Desmodur VL|Desmodur VL-R 10|Desmodur VL-R 20|Diisocyanate de polymethylenepolyphenylene|Dynopur 9200|Emusheebu AN 74P|Emushibu BN 02P|Foamlite M 12|101840-81-7|103106-61-2|103812-90-4|1058663-20-9|107231-85-6|108021-94-9|111310-30-6|116439-26-0|120528-46-3|120797-37-7|1228530-76-4|1262791-71-8|129406-02-6|1306717-73-6|133686-81-4|1342796-19-3|1352205-75-4|1360626-75-0|137397-93-4|138069-64-4|1391766-65-6|141255-78-9|1422250-40-5|143476-94-2|147445-25-8|153190-02-4|154102-11-1|154609-09-3|154766-26-4|1551129-98-6|160477-36-1|162355-20-6|162628-81-1|172826-96-9|178464-28-3|183563-24-8|184539-09-1|1916516-88-5|203743-04-8|203944-48-3|208196-65-0|209252-36-8|211991-83-2|212569-27-2|219753-20-5|2197919-83-6|2245688-66-6|2245688-98-4|2256033-79-9|2286220-28-6|2376783-26-3|2417424-10-1|247940-58-5|2696284-07-6|283603-33-8|300852-58-8|315680-13-8|37291-69-3|37370-30-2|379692-85-0|39278-75-6|478809-08-4|484655-09-6|50814-42-1|51059-16-6|51810-20-9|54018-19-8|56273-49-5|59392-73-3|612824-05-2|61642-52-2|66174-31-0|667447-28-1|69345-95-5|71061-20-6|74315-87-0|75026-14-1|76600-86-7|81031-80-3|81406-01-1|83271-42-5|83271-43-6|83512-90-7|85497-20-7|86473-20-3|87139-88 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047473
ARPathway2016 ARPathway2016_1702 Polymethylene polyphenyl polyisocyanate 9016-87-9 DTXSID3047473 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Polymethylene polyphenyl polyisocyanate 9016-87-9|Polymethylene polyphenyl polyisocyanate|Adeka Bon-Tighter UCX 853|Arathane AW 8680|Autofroth 9300A|Bayfit 566A|Baytec ENC 5006|Burnock 9-409|C-MDI 44V20|Caradate 30|Coronate 1039|Coronate 1104|Coronate 1107|Coronate 1110|Coronate 1130|Coronate 1133|Coronate 1144|Coronate 1155|Coronate 1156|Coronate 1170|Coronate 2520|Coronate 3053|Coronate MR 100|Coronate MR 200|Cosmonate 200PDMI|Cosmonate CR 200|Cosmonate M 100|Cosmonate M 1500|Cosmonate M 200|Cosmonate M 201W|Cosmonate M 23|Cosmonate M 24|Cosmonate M 250W|Cosmonate M 270W|Cosmonate M 300|Cosmonate M 3000|Cosmonate M 400|Cosmonate M 50|Cosmonate M 700|Cosmonate MC 83|Cosmonate TM 50|Cosmonate UR 4000|Crude MDI|Desmodur 1520A2|Desmodur 44V10L|Desmodur 44V20|Desmodur 44V20L|Desmodur 44V40L|Desmodur 44V70|Desmodur 44V70L|Desmodur MP 100|Desmodur PU 1520A20|Desmodur V|Desmodur VK|Desmodur VK 200|Desmodur VK 5|Desmodur VK 70|Desmodur VKS 18|Desmodur VKS 70|Desmodur VL|Desmodur VL-R 10|Desmodur VL-R 20|Diisocyanate de polymethylenepolyphenylene|Dynopur 9200|Emusheebu AN 74P|Emushibu BN 02P|Foamlite M 12|101840-81-7|103106-61-2|103812-90-4|1058663-20-9|107231-85-6|108021-94-9|111310-30-6|116439-26-0|120528-46-3|120797-37-7|1228530-76-4|1262791-71-8|129406-02-6|1306717-73-6|133686-81-4|1342796-19-3|1352205-75-4|1360626-75-0|137397-93-4|138069-64-4|1391766-65-6|141255-78-9|1422250-40-5|143476-94-2|147445-25-8|153190-02-4|154102-11-1|154609-09-3|154766-26-4|1551129-98-6|160477-36-1|162355-20-6|162628-81-1|172826-96-9|178464-28-3|183563-24-8|184539-09-1|1916516-88-5|203743-04-8|203944-48-3|208196-65-0|209252-36-8|211991-83-2|212569-27-2|219753-20-5|2197919-83-6|2245688-66-6|2245688-98-4|2256033-79-9|2286220-28-6|2376783-26-3|2417424-10-1|247940-58-5|2696284-07-6|283603-33-8|300852-58-8|315680-13-8|37291-69-3|37370-30-2|379692-85-0|39278-75-6|478809-08-4|484655-09-6|50814-42-1|51059-16-6|51810-20-9|54018-19-8|56273-49-5|59392-73-3|612824-05-2|61642-52-2|66174-31-0|667447-28-1|69345-95-5|71061-20-6|74315-87-0|75026-14-1|76600-86-7|81031-80-3|81406-01-1|83271-42-5|83271-43-6|83512-90-7|85497-20-7|86473-20-3|87139-88 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047473
ERPathway2016 ERPathway2016_1735 Polymethylene polyphenyl polyisocyanate 9016-87-9 DTXSID3047473 ER Pathway Model, Agonist Model Score 0 Unitless Polymethylene polyphenyl polyisocyanate 9016-87-9|Polymethylene polyphenyl polyisocyanate|Adeka Bon-Tighter UCX 853|Arathane AW 8680|Autofroth 9300A|Bayfit 566A|Baytec ENC 5006|Burnock 9-409|C-MDI 44V20|Caradate 30|Coronate 1039|Coronate 1104|Coronate 1107|Coronate 1110|Coronate 1130|Coronate 1133|Coronate 1144|Coronate 1155|Coronate 1156|Coronate 1170|Coronate 2520|Coronate 3053|Coronate MR 100|Coronate MR 200|Cosmonate 200PDMI|Cosmonate CR 200|Cosmonate M 100|Cosmonate M 1500|Cosmonate M 200|Cosmonate M 201W|Cosmonate M 23|Cosmonate M 24|Cosmonate M 250W|Cosmonate M 270W|Cosmonate M 300|Cosmonate M 3000|Cosmonate M 400|Cosmonate M 50|Cosmonate M 700|Cosmonate MC 83|Cosmonate TM 50|Cosmonate UR 4000|Crude MDI|Desmodur 1520A2|Desmodur 44V10L|Desmodur 44V20|Desmodur 44V20L|Desmodur 44V40L|Desmodur 44V70|Desmodur 44V70L|Desmodur MP 100|Desmodur PU 1520A20|Desmodur V|Desmodur VK|Desmodur VK 200|Desmodur VK 5|Desmodur VK 70|Desmodur VKS 18|Desmodur VKS 70|Desmodur VL|Desmodur VL-R 10|Desmodur VL-R 20|Diisocyanate de polymethylenepolyphenylene|Dynopur 9200|Emusheebu AN 74P|Emushibu BN 02P|Foamlite M 12|101840-81-7|103106-61-2|103812-90-4|1058663-20-9|107231-85-6|108021-94-9|111310-30-6|116439-26-0|120528-46-3|120797-37-7|1228530-76-4|1262791-71-8|129406-02-6|1306717-73-6|133686-81-4|1342796-19-3|1352205-75-4|1360626-75-0|137397-93-4|138069-64-4|1391766-65-6|141255-78-9|1422250-40-5|143476-94-2|147445-25-8|153190-02-4|154102-11-1|154609-09-3|154766-26-4|1551129-98-6|160477-36-1|162355-20-6|162628-81-1|172826-96-9|178464-28-3|183563-24-8|184539-09-1|1916516-88-5|203743-04-8|203944-48-3|208196-65-0|209252-36-8|211991-83-2|212569-27-2|219753-20-5|2197919-83-6|2245688-66-6|2245688-98-4|2256033-79-9|2286220-28-6|2376783-26-3|2417424-10-1|247940-58-5|2696284-07-6|283603-33-8|300852-58-8|315680-13-8|37291-69-3|37370-30-2|379692-85-0|39278-75-6|478809-08-4|484655-09-6|50814-42-1|51059-16-6|51810-20-9|54018-19-8|56273-49-5|59392-73-3|612824-05-2|61642-52-2|66174-31-0|667447-28-1|69345-95-5|71061-20-6|74315-87-0|75026-14-1|76600-86-7|81031-80-3|81406-01-1|83271-42-5|83271-43-6|83512-90-7|85497-20-7|86473-20-3|87139-88 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047473
ERPathway2016 ERPathway2016_1735 Polymethylene polyphenyl polyisocyanate 9016-87-9 DTXSID3047473 ER Pathway Model, Antagonist Model Score 0 Unitless Polymethylene polyphenyl polyisocyanate 9016-87-9|Polymethylene polyphenyl polyisocyanate|Adeka Bon-Tighter UCX 853|Arathane AW 8680|Autofroth 9300A|Bayfit 566A|Baytec ENC 5006|Burnock 9-409|C-MDI 44V20|Caradate 30|Coronate 1039|Coronate 1104|Coronate 1107|Coronate 1110|Coronate 1130|Coronate 1133|Coronate 1144|Coronate 1155|Coronate 1156|Coronate 1170|Coronate 2520|Coronate 3053|Coronate MR 100|Coronate MR 200|Cosmonate 200PDMI|Cosmonate CR 200|Cosmonate M 100|Cosmonate M 1500|Cosmonate M 200|Cosmonate M 201W|Cosmonate M 23|Cosmonate M 24|Cosmonate M 250W|Cosmonate M 270W|Cosmonate M 300|Cosmonate M 3000|Cosmonate M 400|Cosmonate M 50|Cosmonate M 700|Cosmonate MC 83|Cosmonate TM 50|Cosmonate UR 4000|Crude MDI|Desmodur 1520A2|Desmodur 44V10L|Desmodur 44V20|Desmodur 44V20L|Desmodur 44V40L|Desmodur 44V70|Desmodur 44V70L|Desmodur MP 100|Desmodur PU 1520A20|Desmodur V|Desmodur VK|Desmodur VK 200|Desmodur VK 5|Desmodur VK 70|Desmodur VKS 18|Desmodur VKS 70|Desmodur VL|Desmodur VL-R 10|Desmodur VL-R 20|Diisocyanate de polymethylenepolyphenylene|Dynopur 9200|Emusheebu AN 74P|Emushibu BN 02P|Foamlite M 12|101840-81-7|103106-61-2|103812-90-4|1058663-20-9|107231-85-6|108021-94-9|111310-30-6|116439-26-0|120528-46-3|120797-37-7|1228530-76-4|1262791-71-8|129406-02-6|1306717-73-6|133686-81-4|1342796-19-3|1352205-75-4|1360626-75-0|137397-93-4|138069-64-4|1391766-65-6|141255-78-9|1422250-40-5|143476-94-2|147445-25-8|153190-02-4|154102-11-1|154609-09-3|154766-26-4|1551129-98-6|160477-36-1|162355-20-6|162628-81-1|172826-96-9|178464-28-3|183563-24-8|184539-09-1|1916516-88-5|203743-04-8|203944-48-3|208196-65-0|209252-36-8|211991-83-2|212569-27-2|219753-20-5|2197919-83-6|2245688-66-6|2245688-98-4|2256033-79-9|2286220-28-6|2376783-26-3|2417424-10-1|247940-58-5|2696284-07-6|283603-33-8|300852-58-8|315680-13-8|37291-69-3|37370-30-2|379692-85-0|39278-75-6|478809-08-4|484655-09-6|50814-42-1|51059-16-6|51810-20-9|54018-19-8|56273-49-5|59392-73-3|612824-05-2|61642-52-2|66174-31-0|667447-28-1|69345-95-5|71061-20-6|74315-87-0|75026-14-1|76600-86-7|81031-80-3|81406-01-1|83271-42-5|83271-43-6|83512-90-7|85497-20-7|86473-20-3|87139-88 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047473
ERPathway2016 ERPathway2016_1735 Polymethylene polyphenyl polyisocyanate 9016-87-9 DTXSID3047473 ER Pathway Model, Agonist Call Inactive Unitless Polymethylene polyphenyl polyisocyanate 9016-87-9|Polymethylene polyphenyl polyisocyanate|Adeka Bon-Tighter UCX 853|Arathane AW 8680|Autofroth 9300A|Bayfit 566A|Baytec ENC 5006|Burnock 9-409|C-MDI 44V20|Caradate 30|Coronate 1039|Coronate 1104|Coronate 1107|Coronate 1110|Coronate 1130|Coronate 1133|Coronate 1144|Coronate 1155|Coronate 1156|Coronate 1170|Coronate 2520|Coronate 3053|Coronate MR 100|Coronate MR 200|Cosmonate 200PDMI|Cosmonate CR 200|Cosmonate M 100|Cosmonate M 1500|Cosmonate M 200|Cosmonate M 201W|Cosmonate M 23|Cosmonate M 24|Cosmonate M 250W|Cosmonate M 270W|Cosmonate M 300|Cosmonate M 3000|Cosmonate M 400|Cosmonate M 50|Cosmonate M 700|Cosmonate MC 83|Cosmonate TM 50|Cosmonate UR 4000|Crude MDI|Desmodur 1520A2|Desmodur 44V10L|Desmodur 44V20|Desmodur 44V20L|Desmodur 44V40L|Desmodur 44V70|Desmodur 44V70L|Desmodur MP 100|Desmodur PU 1520A20|Desmodur V|Desmodur VK|Desmodur VK 200|Desmodur VK 5|Desmodur VK 70|Desmodur VKS 18|Desmodur VKS 70|Desmodur VL|Desmodur VL-R 10|Desmodur VL-R 20|Diisocyanate de polymethylenepolyphenylene|Dynopur 9200|Emusheebu AN 74P|Emushibu BN 02P|Foamlite M 12|101840-81-7|103106-61-2|103812-90-4|1058663-20-9|107231-85-6|108021-94-9|111310-30-6|116439-26-0|120528-46-3|120797-37-7|1228530-76-4|1262791-71-8|129406-02-6|1306717-73-6|133686-81-4|1342796-19-3|1352205-75-4|1360626-75-0|137397-93-4|138069-64-4|1391766-65-6|141255-78-9|1422250-40-5|143476-94-2|147445-25-8|153190-02-4|154102-11-1|154609-09-3|154766-26-4|1551129-98-6|160477-36-1|162355-20-6|162628-81-1|172826-96-9|178464-28-3|183563-24-8|184539-09-1|1916516-88-5|203743-04-8|203944-48-3|208196-65-0|209252-36-8|211991-83-2|212569-27-2|219753-20-5|2197919-83-6|2245688-66-6|2245688-98-4|2256033-79-9|2286220-28-6|2376783-26-3|2417424-10-1|247940-58-5|2696284-07-6|283603-33-8|300852-58-8|315680-13-8|37291-69-3|37370-30-2|379692-85-0|39278-75-6|478809-08-4|484655-09-6|50814-42-1|51059-16-6|51810-20-9|54018-19-8|56273-49-5|59392-73-3|612824-05-2|61642-52-2|66174-31-0|667447-28-1|69345-95-5|71061-20-6|74315-87-0|75026-14-1|76600-86-7|81031-80-3|81406-01-1|83271-42-5|83271-43-6|83512-90-7|85497-20-7|86473-20-3|87139-88 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047473
ERPathway2016 ERPathway2016_1735 Polymethylene polyphenyl polyisocyanate 9016-87-9 DTXSID3047473 ER Pathway Model, Antagonist Call Inactive Unitless Polymethylene polyphenyl polyisocyanate 9016-87-9|Polymethylene polyphenyl polyisocyanate|Adeka Bon-Tighter UCX 853|Arathane AW 8680|Autofroth 9300A|Bayfit 566A|Baytec ENC 5006|Burnock 9-409|C-MDI 44V20|Caradate 30|Coronate 1039|Coronate 1104|Coronate 1107|Coronate 1110|Coronate 1130|Coronate 1133|Coronate 1144|Coronate 1155|Coronate 1156|Coronate 1170|Coronate 2520|Coronate 3053|Coronate MR 100|Coronate MR 200|Cosmonate 200PDMI|Cosmonate CR 200|Cosmonate M 100|Cosmonate M 1500|Cosmonate M 200|Cosmonate M 201W|Cosmonate M 23|Cosmonate M 24|Cosmonate M 250W|Cosmonate M 270W|Cosmonate M 300|Cosmonate M 3000|Cosmonate M 400|Cosmonate M 50|Cosmonate M 700|Cosmonate MC 83|Cosmonate TM 50|Cosmonate UR 4000|Crude MDI|Desmodur 1520A2|Desmodur 44V10L|Desmodur 44V20|Desmodur 44V20L|Desmodur 44V40L|Desmodur 44V70|Desmodur 44V70L|Desmodur MP 100|Desmodur PU 1520A20|Desmodur V|Desmodur VK|Desmodur VK 200|Desmodur VK 5|Desmodur VK 70|Desmodur VKS 18|Desmodur VKS 70|Desmodur VL|Desmodur VL-R 10|Desmodur VL-R 20|Diisocyanate de polymethylenepolyphenylene|Dynopur 9200|Emusheebu AN 74P|Emushibu BN 02P|Foamlite M 12|101840-81-7|103106-61-2|103812-90-4|1058663-20-9|107231-85-6|108021-94-9|111310-30-6|116439-26-0|120528-46-3|120797-37-7|1228530-76-4|1262791-71-8|129406-02-6|1306717-73-6|133686-81-4|1342796-19-3|1352205-75-4|1360626-75-0|137397-93-4|138069-64-4|1391766-65-6|141255-78-9|1422250-40-5|143476-94-2|147445-25-8|153190-02-4|154102-11-1|154609-09-3|154766-26-4|1551129-98-6|160477-36-1|162355-20-6|162628-81-1|172826-96-9|178464-28-3|183563-24-8|184539-09-1|1916516-88-5|203743-04-8|203944-48-3|208196-65-0|209252-36-8|211991-83-2|212569-27-2|219753-20-5|2197919-83-6|2245688-66-6|2245688-98-4|2256033-79-9|2286220-28-6|2376783-26-3|2417424-10-1|247940-58-5|2696284-07-6|283603-33-8|300852-58-8|315680-13-8|37291-69-3|37370-30-2|379692-85-0|39278-75-6|478809-08-4|484655-09-6|50814-42-1|51059-16-6|51810-20-9|54018-19-8|56273-49-5|59392-73-3|612824-05-2|61642-52-2|66174-31-0|667447-28-1|69345-95-5|71061-20-6|74315-87-0|75026-14-1|76600-86-7|81031-80-3|81406-01-1|83271-42-5|83271-43-6|83512-90-7|85497-20-7|86473-20-3|87139-88 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047473
ARPathway2016 ARPathway2016_1051 Polypropylene glycol 25322-69-4 DTXSID9027863 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [H]OCCO.C* |lp:1:2,4:2,m:6:3.2,Sg:n:5,1,2,3::ht| Polypropylene glycol 25322-69-4|Polypropylene glycol|1,2-Epoxypropane polymer|1,2-Propanediol, homopolymer|1,2-Propanenediol, polymer with methyloxirane|1,2-Propylene glycol-propylene oxide polymer|Acclaim 18200N|Acclaim 2020|Acclaim 3200|Acclaim 4000|Acclaim 8000|Acclaim 8200N|Acclaim DPP 12200|Actcol 51-530|Actcol MF 30|Actcol P 21|Actcol P 22|Actcol P 23|Actcol P 23K|Actcol P 25|Actcol PC 244|Actocol 51-530|Adeka Carpol DL|Adeka Carpol DL 150|Adeka Carpol DL 30|Adeka Carpol DL 80|Adeka Carpol M 110|Adeka P 1000|Adeka P 2000|Adeka P 3000|Adeka P 400|Adeka P 700|Adeka Polyether P 1000|Adeka Polyether P 2000|Adeka Polyether P 700|Alcupol D 2021|Alkapal PPG-1200|Alkapal PPG-2000|Alkapal PPG-4000|Alkapol PPG 4000|alpha-Hydro-omega-hydroxypoly(oxy(methyl-1,2-ethanediyl))|alpha-Hydro-omega-hydroxypoly(oxypropylene)|Arco R 2446|Arcol 1000N|Arcol PPG 1000|Arcol PPG 1025|Arcol PPG 2000|Arcol PPG 2025|Arcol PPG 3025|Arcol PPG 425|Arcol PPG 725|Arcol R 1885|Bloat guard|Caswell No. 680|Desmophen 1262BD|Desmophen 1600 U|Desmophen 1600U|Desmophen 2060BD|Desmophen 2061BD|De|100357-60-6|1014983-27-7|1049785-16-1|105844-84-6|109489-48-7|111146-16-8|115450-63-0|116958-46-4|1169934-33-1|117715-07-8|117968-93-1|118441-48-8|119652-85-6|120468-96-4|1205544-87-1|122392-88-5|123687-98-9|124448-74-4|124631-70-5|125147-71-9|125386-95-0|126906-04-5|1269983-38-1|130842-36-3|131649-30-4|133439-62-0|134092-40-3|134192-23-7|135355-02-1|1381802-76-1|138704-46-8|1419790-34-3|143550-15-6|143710-19-4|145699-74-7|146024-61-5|150825-72-2|152287-82-6|161278-03-1|1629855-91-9|171904-01-1|174206-36-1|174722-18-0|176742-37-3|187954-99-0|1883798-63-7|205657-26-7|2085678-39-1|2133455-29-3|250380-45-1|252369-71-4|25266-78-8|27274-27-7|27615-86-7|28724-27-8|29434-03-5|310902-91-1|34465-52-6|372166-28-4|37231-68-8|380912-66-3|380912-82-3|39465-43-5|51019-30-8|51568-92-4|51922-49-7|52309-41-8|53528-82-8|53863-41-5|54500-36-6|56591-76-5|57137-06-1|61090-28-6|63279-07-2|64176-87-0|64940-80-3|660439-52-1|66174-27-4|66988-34-9|68821-81-8|69900-45-4|70992-51-7|74870-00-1|75139-15-0|777067-78-4|80408-02-2|80803-40-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027863
ARPathway2016 ARPathway2016_1051 Polypropylene glycol 25322-69-4 DTXSID9027863 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [H]OCCO.C* |lp:1:2,4:2,m:6:3.2,Sg:n:5,1,2,3::ht| Polypropylene glycol 25322-69-4|Polypropylene glycol|1,2-Epoxypropane polymer|1,2-Propanediol, homopolymer|1,2-Propanenediol, polymer with methyloxirane|1,2-Propylene glycol-propylene oxide polymer|Acclaim 18200N|Acclaim 2020|Acclaim 3200|Acclaim 4000|Acclaim 8000|Acclaim 8200N|Acclaim DPP 12200|Actcol 51-530|Actcol MF 30|Actcol P 21|Actcol P 22|Actcol P 23|Actcol P 23K|Actcol P 25|Actcol PC 244|Actocol 51-530|Adeka Carpol DL|Adeka Carpol DL 150|Adeka Carpol DL 30|Adeka Carpol DL 80|Adeka Carpol M 110|Adeka P 1000|Adeka P 2000|Adeka P 3000|Adeka P 400|Adeka P 700|Adeka Polyether P 1000|Adeka Polyether P 2000|Adeka Polyether P 700|Alcupol D 2021|Alkapal PPG-1200|Alkapal PPG-2000|Alkapal PPG-4000|Alkapol PPG 4000|alpha-Hydro-omega-hydroxypoly(oxy(methyl-1,2-ethanediyl))|alpha-Hydro-omega-hydroxypoly(oxypropylene)|Arco R 2446|Arcol 1000N|Arcol PPG 1000|Arcol PPG 1025|Arcol PPG 2000|Arcol PPG 2025|Arcol PPG 3025|Arcol PPG 425|Arcol PPG 725|Arcol R 1885|Bloat guard|Caswell No. 680|Desmophen 1262BD|Desmophen 1600 U|Desmophen 1600U|Desmophen 2060BD|Desmophen 2061BD|De|100357-60-6|1014983-27-7|1049785-16-1|105844-84-6|109489-48-7|111146-16-8|115450-63-0|116958-46-4|1169934-33-1|117715-07-8|117968-93-1|118441-48-8|119652-85-6|120468-96-4|1205544-87-1|122392-88-5|123687-98-9|124448-74-4|124631-70-5|125147-71-9|125386-95-0|126906-04-5|1269983-38-1|130842-36-3|131649-30-4|133439-62-0|134092-40-3|134192-23-7|135355-02-1|1381802-76-1|138704-46-8|1419790-34-3|143550-15-6|143710-19-4|145699-74-7|146024-61-5|150825-72-2|152287-82-6|161278-03-1|1629855-91-9|171904-01-1|174206-36-1|174722-18-0|176742-37-3|187954-99-0|1883798-63-7|205657-26-7|2085678-39-1|2133455-29-3|250380-45-1|252369-71-4|25266-78-8|27274-27-7|27615-86-7|28724-27-8|29434-03-5|310902-91-1|34465-52-6|372166-28-4|37231-68-8|380912-66-3|380912-82-3|39465-43-5|51019-30-8|51568-92-4|51922-49-7|52309-41-8|53528-82-8|53863-41-5|54500-36-6|56591-76-5|57137-06-1|61090-28-6|63279-07-2|64176-87-0|64940-80-3|660439-52-1|66174-27-4|66988-34-9|68821-81-8|69900-45-4|70992-51-7|74870-00-1|75139-15-0|777067-78-4|80408-02-2|80803-40-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027863
ARPathway2016 ARPathway2016_1051 Polypropylene glycol 25322-69-4 DTXSID9027863 0.0 AR Pathway Model, Agonist Call Inactive Unitless [H]OCCO.C* |lp:1:2,4:2,m:6:3.2,Sg:n:5,1,2,3::ht| Polypropylene glycol 25322-69-4|Polypropylene glycol|1,2-Epoxypropane polymer|1,2-Propanediol, homopolymer|1,2-Propanenediol, polymer with methyloxirane|1,2-Propylene glycol-propylene oxide polymer|Acclaim 18200N|Acclaim 2020|Acclaim 3200|Acclaim 4000|Acclaim 8000|Acclaim 8200N|Acclaim DPP 12200|Actcol 51-530|Actcol MF 30|Actcol P 21|Actcol P 22|Actcol P 23|Actcol P 23K|Actcol P 25|Actcol PC 244|Actocol 51-530|Adeka Carpol DL|Adeka Carpol DL 150|Adeka Carpol DL 30|Adeka Carpol DL 80|Adeka Carpol M 110|Adeka P 1000|Adeka P 2000|Adeka P 3000|Adeka P 400|Adeka P 700|Adeka Polyether P 1000|Adeka Polyether P 2000|Adeka Polyether P 700|Alcupol D 2021|Alkapal PPG-1200|Alkapal PPG-2000|Alkapal PPG-4000|Alkapol PPG 4000|alpha-Hydro-omega-hydroxypoly(oxy(methyl-1,2-ethanediyl))|alpha-Hydro-omega-hydroxypoly(oxypropylene)|Arco R 2446|Arcol 1000N|Arcol PPG 1000|Arcol PPG 1025|Arcol PPG 2000|Arcol PPG 2025|Arcol PPG 3025|Arcol PPG 425|Arcol PPG 725|Arcol R 1885|Bloat guard|Caswell No. 680|Desmophen 1262BD|Desmophen 1600 U|Desmophen 1600U|Desmophen 2060BD|Desmophen 2061BD|De|100357-60-6|1014983-27-7|1049785-16-1|105844-84-6|109489-48-7|111146-16-8|115450-63-0|116958-46-4|1169934-33-1|117715-07-8|117968-93-1|118441-48-8|119652-85-6|120468-96-4|1205544-87-1|122392-88-5|123687-98-9|124448-74-4|124631-70-5|125147-71-9|125386-95-0|126906-04-5|1269983-38-1|130842-36-3|131649-30-4|133439-62-0|134092-40-3|134192-23-7|135355-02-1|1381802-76-1|138704-46-8|1419790-34-3|143550-15-6|143710-19-4|145699-74-7|146024-61-5|150825-72-2|152287-82-6|161278-03-1|1629855-91-9|171904-01-1|174206-36-1|174722-18-0|176742-37-3|187954-99-0|1883798-63-7|205657-26-7|2085678-39-1|2133455-29-3|250380-45-1|252369-71-4|25266-78-8|27274-27-7|27615-86-7|28724-27-8|29434-03-5|310902-91-1|34465-52-6|372166-28-4|37231-68-8|380912-66-3|380912-82-3|39465-43-5|51019-30-8|51568-92-4|51922-49-7|52309-41-8|53528-82-8|53863-41-5|54500-36-6|56591-76-5|57137-06-1|61090-28-6|63279-07-2|64176-87-0|64940-80-3|660439-52-1|66174-27-4|66988-34-9|68821-81-8|69900-45-4|70992-51-7|74870-00-1|75139-15-0|777067-78-4|80408-02-2|80803-40-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027863
ARPathway2016 ARPathway2016_1051 Polypropylene glycol 25322-69-4 DTXSID9027863 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [H]OCCO.C* |lp:1:2,4:2,m:6:3.2,Sg:n:5,1,2,3::ht| Polypropylene glycol 25322-69-4|Polypropylene glycol|1,2-Epoxypropane polymer|1,2-Propanediol, homopolymer|1,2-Propanenediol, polymer with methyloxirane|1,2-Propylene glycol-propylene oxide polymer|Acclaim 18200N|Acclaim 2020|Acclaim 3200|Acclaim 4000|Acclaim 8000|Acclaim 8200N|Acclaim DPP 12200|Actcol 51-530|Actcol MF 30|Actcol P 21|Actcol P 22|Actcol P 23|Actcol P 23K|Actcol P 25|Actcol PC 244|Actocol 51-530|Adeka Carpol DL|Adeka Carpol DL 150|Adeka Carpol DL 30|Adeka Carpol DL 80|Adeka Carpol M 110|Adeka P 1000|Adeka P 2000|Adeka P 3000|Adeka P 400|Adeka P 700|Adeka Polyether P 1000|Adeka Polyether P 2000|Adeka Polyether P 700|Alcupol D 2021|Alkapal PPG-1200|Alkapal PPG-2000|Alkapal PPG-4000|Alkapol PPG 4000|alpha-Hydro-omega-hydroxypoly(oxy(methyl-1,2-ethanediyl))|alpha-Hydro-omega-hydroxypoly(oxypropylene)|Arco R 2446|Arcol 1000N|Arcol PPG 1000|Arcol PPG 1025|Arcol PPG 2000|Arcol PPG 2025|Arcol PPG 3025|Arcol PPG 425|Arcol PPG 725|Arcol R 1885|Bloat guard|Caswell No. 680|Desmophen 1262BD|Desmophen 1600 U|Desmophen 1600U|Desmophen 2060BD|Desmophen 2061BD|De|100357-60-6|1014983-27-7|1049785-16-1|105844-84-6|109489-48-7|111146-16-8|115450-63-0|116958-46-4|1169934-33-1|117715-07-8|117968-93-1|118441-48-8|119652-85-6|120468-96-4|1205544-87-1|122392-88-5|123687-98-9|124448-74-4|124631-70-5|125147-71-9|125386-95-0|126906-04-5|1269983-38-1|130842-36-3|131649-30-4|133439-62-0|134092-40-3|134192-23-7|135355-02-1|1381802-76-1|138704-46-8|1419790-34-3|143550-15-6|143710-19-4|145699-74-7|146024-61-5|150825-72-2|152287-82-6|161278-03-1|1629855-91-9|171904-01-1|174206-36-1|174722-18-0|176742-37-3|187954-99-0|1883798-63-7|205657-26-7|2085678-39-1|2133455-29-3|250380-45-1|252369-71-4|25266-78-8|27274-27-7|27615-86-7|28724-27-8|29434-03-5|310902-91-1|34465-52-6|372166-28-4|37231-68-8|380912-66-3|380912-82-3|39465-43-5|51019-30-8|51568-92-4|51922-49-7|52309-41-8|53528-82-8|53863-41-5|54500-36-6|56591-76-5|57137-06-1|61090-28-6|63279-07-2|64176-87-0|64940-80-3|660439-52-1|66174-27-4|66988-34-9|68821-81-8|69900-45-4|70992-51-7|74870-00-1|75139-15-0|777067-78-4|80408-02-2|80803-40-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027863
ERPathway2016 ERPathway2016_1403 Polypropylene glycol 25322-69-4 DTXSID9027863 ER Pathway Model, Agonist Model Score 0 Unitless [H]OCCO.C* |lp:1:2,4:2,m:6:3.2,Sg:n:5,1,2,3::ht| Polypropylene glycol 25322-69-4|Polypropylene glycol|1,2-Epoxypropane polymer|1,2-Propanediol, homopolymer|1,2-Propanenediol, polymer with methyloxirane|1,2-Propylene glycol-propylene oxide polymer|Acclaim 18200N|Acclaim 2020|Acclaim 3200|Acclaim 4000|Acclaim 8000|Acclaim 8200N|Acclaim DPP 12200|Actcol 51-530|Actcol MF 30|Actcol P 21|Actcol P 22|Actcol P 23|Actcol P 23K|Actcol P 25|Actcol PC 244|Actocol 51-530|Adeka Carpol DL|Adeka Carpol DL 150|Adeka Carpol DL 30|Adeka Carpol DL 80|Adeka Carpol M 110|Adeka P 1000|Adeka P 2000|Adeka P 3000|Adeka P 400|Adeka P 700|Adeka Polyether P 1000|Adeka Polyether P 2000|Adeka Polyether P 700|Alcupol D 2021|Alkapal PPG-1200|Alkapal PPG-2000|Alkapal PPG-4000|Alkapol PPG 4000|alpha-Hydro-omega-hydroxypoly(oxy(methyl-1,2-ethanediyl))|alpha-Hydro-omega-hydroxypoly(oxypropylene)|Arco R 2446|Arcol 1000N|Arcol PPG 1000|Arcol PPG 1025|Arcol PPG 2000|Arcol PPG 2025|Arcol PPG 3025|Arcol PPG 425|Arcol PPG 725|Arcol R 1885|Bloat guard|Caswell No. 680|Desmophen 1262BD|Desmophen 1600 U|Desmophen 1600U|Desmophen 2060BD|Desmophen 2061BD|De|100357-60-6|1014983-27-7|1049785-16-1|105844-84-6|109489-48-7|111146-16-8|115450-63-0|116958-46-4|1169934-33-1|117715-07-8|117968-93-1|118441-48-8|119652-85-6|120468-96-4|1205544-87-1|122392-88-5|123687-98-9|124448-74-4|124631-70-5|125147-71-9|125386-95-0|126906-04-5|1269983-38-1|130842-36-3|131649-30-4|133439-62-0|134092-40-3|134192-23-7|135355-02-1|1381802-76-1|138704-46-8|1419790-34-3|143550-15-6|143710-19-4|145699-74-7|146024-61-5|150825-72-2|152287-82-6|161278-03-1|1629855-91-9|171904-01-1|174206-36-1|174722-18-0|176742-37-3|187954-99-0|1883798-63-7|205657-26-7|2085678-39-1|2133455-29-3|250380-45-1|252369-71-4|25266-78-8|27274-27-7|27615-86-7|28724-27-8|29434-03-5|310902-91-1|34465-52-6|372166-28-4|37231-68-8|380912-66-3|380912-82-3|39465-43-5|51019-30-8|51568-92-4|51922-49-7|52309-41-8|53528-82-8|53863-41-5|54500-36-6|56591-76-5|57137-06-1|61090-28-6|63279-07-2|64176-87-0|64940-80-3|660439-52-1|66174-27-4|66988-34-9|68821-81-8|69900-45-4|70992-51-7|74870-00-1|75139-15-0|777067-78-4|80408-02-2|80803-40-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027863
ERPathway2016 ERPathway2016_1403 Polypropylene glycol 25322-69-4 DTXSID9027863 ER Pathway Model, Antagonist Model Score 0 Unitless [H]OCCO.C* |lp:1:2,4:2,m:6:3.2,Sg:n:5,1,2,3::ht| Polypropylene glycol 25322-69-4|Polypropylene glycol|1,2-Epoxypropane polymer|1,2-Propanediol, homopolymer|1,2-Propanenediol, polymer with methyloxirane|1,2-Propylene glycol-propylene oxide polymer|Acclaim 18200N|Acclaim 2020|Acclaim 3200|Acclaim 4000|Acclaim 8000|Acclaim 8200N|Acclaim DPP 12200|Actcol 51-530|Actcol MF 30|Actcol P 21|Actcol P 22|Actcol P 23|Actcol P 23K|Actcol P 25|Actcol PC 244|Actocol 51-530|Adeka Carpol DL|Adeka Carpol DL 150|Adeka Carpol DL 30|Adeka Carpol DL 80|Adeka Carpol M 110|Adeka P 1000|Adeka P 2000|Adeka P 3000|Adeka P 400|Adeka P 700|Adeka Polyether P 1000|Adeka Polyether P 2000|Adeka Polyether P 700|Alcupol D 2021|Alkapal PPG-1200|Alkapal PPG-2000|Alkapal PPG-4000|Alkapol PPG 4000|alpha-Hydro-omega-hydroxypoly(oxy(methyl-1,2-ethanediyl))|alpha-Hydro-omega-hydroxypoly(oxypropylene)|Arco R 2446|Arcol 1000N|Arcol PPG 1000|Arcol PPG 1025|Arcol PPG 2000|Arcol PPG 2025|Arcol PPG 3025|Arcol PPG 425|Arcol PPG 725|Arcol R 1885|Bloat guard|Caswell No. 680|Desmophen 1262BD|Desmophen 1600 U|Desmophen 1600U|Desmophen 2060BD|Desmophen 2061BD|De|100357-60-6|1014983-27-7|1049785-16-1|105844-84-6|109489-48-7|111146-16-8|115450-63-0|116958-46-4|1169934-33-1|117715-07-8|117968-93-1|118441-48-8|119652-85-6|120468-96-4|1205544-87-1|122392-88-5|123687-98-9|124448-74-4|124631-70-5|125147-71-9|125386-95-0|126906-04-5|1269983-38-1|130842-36-3|131649-30-4|133439-62-0|134092-40-3|134192-23-7|135355-02-1|1381802-76-1|138704-46-8|1419790-34-3|143550-15-6|143710-19-4|145699-74-7|146024-61-5|150825-72-2|152287-82-6|161278-03-1|1629855-91-9|171904-01-1|174206-36-1|174722-18-0|176742-37-3|187954-99-0|1883798-63-7|205657-26-7|2085678-39-1|2133455-29-3|250380-45-1|252369-71-4|25266-78-8|27274-27-7|27615-86-7|28724-27-8|29434-03-5|310902-91-1|34465-52-6|372166-28-4|37231-68-8|380912-66-3|380912-82-3|39465-43-5|51019-30-8|51568-92-4|51922-49-7|52309-41-8|53528-82-8|53863-41-5|54500-36-6|56591-76-5|57137-06-1|61090-28-6|63279-07-2|64176-87-0|64940-80-3|660439-52-1|66174-27-4|66988-34-9|68821-81-8|69900-45-4|70992-51-7|74870-00-1|75139-15-0|777067-78-4|80408-02-2|80803-40-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027863
ERPathway2016 ERPathway2016_1403 Polypropylene glycol 25322-69-4 DTXSID9027863 ER Pathway Model, Agonist Call Inactive Unitless [H]OCCO.C* |lp:1:2,4:2,m:6:3.2,Sg:n:5,1,2,3::ht| Polypropylene glycol 25322-69-4|Polypropylene glycol|1,2-Epoxypropane polymer|1,2-Propanediol, homopolymer|1,2-Propanenediol, polymer with methyloxirane|1,2-Propylene glycol-propylene oxide polymer|Acclaim 18200N|Acclaim 2020|Acclaim 3200|Acclaim 4000|Acclaim 8000|Acclaim 8200N|Acclaim DPP 12200|Actcol 51-530|Actcol MF 30|Actcol P 21|Actcol P 22|Actcol P 23|Actcol P 23K|Actcol P 25|Actcol PC 244|Actocol 51-530|Adeka Carpol DL|Adeka Carpol DL 150|Adeka Carpol DL 30|Adeka Carpol DL 80|Adeka Carpol M 110|Adeka P 1000|Adeka P 2000|Adeka P 3000|Adeka P 400|Adeka P 700|Adeka Polyether P 1000|Adeka Polyether P 2000|Adeka Polyether P 700|Alcupol D 2021|Alkapal PPG-1200|Alkapal PPG-2000|Alkapal PPG-4000|Alkapol PPG 4000|alpha-Hydro-omega-hydroxypoly(oxy(methyl-1,2-ethanediyl))|alpha-Hydro-omega-hydroxypoly(oxypropylene)|Arco R 2446|Arcol 1000N|Arcol PPG 1000|Arcol PPG 1025|Arcol PPG 2000|Arcol PPG 2025|Arcol PPG 3025|Arcol PPG 425|Arcol PPG 725|Arcol R 1885|Bloat guard|Caswell No. 680|Desmophen 1262BD|Desmophen 1600 U|Desmophen 1600U|Desmophen 2060BD|Desmophen 2061BD|De|100357-60-6|1014983-27-7|1049785-16-1|105844-84-6|109489-48-7|111146-16-8|115450-63-0|116958-46-4|1169934-33-1|117715-07-8|117968-93-1|118441-48-8|119652-85-6|120468-96-4|1205544-87-1|122392-88-5|123687-98-9|124448-74-4|124631-70-5|125147-71-9|125386-95-0|126906-04-5|1269983-38-1|130842-36-3|131649-30-4|133439-62-0|134092-40-3|134192-23-7|135355-02-1|1381802-76-1|138704-46-8|1419790-34-3|143550-15-6|143710-19-4|145699-74-7|146024-61-5|150825-72-2|152287-82-6|161278-03-1|1629855-91-9|171904-01-1|174206-36-1|174722-18-0|176742-37-3|187954-99-0|1883798-63-7|205657-26-7|2085678-39-1|2133455-29-3|250380-45-1|252369-71-4|25266-78-8|27274-27-7|27615-86-7|28724-27-8|29434-03-5|310902-91-1|34465-52-6|372166-28-4|37231-68-8|380912-66-3|380912-82-3|39465-43-5|51019-30-8|51568-92-4|51922-49-7|52309-41-8|53528-82-8|53863-41-5|54500-36-6|56591-76-5|57137-06-1|61090-28-6|63279-07-2|64176-87-0|64940-80-3|660439-52-1|66174-27-4|66988-34-9|68821-81-8|69900-45-4|70992-51-7|74870-00-1|75139-15-0|777067-78-4|80408-02-2|80803-40-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027863
ERPathway2016 ERPathway2016_1403 Polypropylene glycol 25322-69-4 DTXSID9027863 ER Pathway Model, Antagonist Call Inactive Unitless [H]OCCO.C* |lp:1:2,4:2,m:6:3.2,Sg:n:5,1,2,3::ht| Polypropylene glycol 25322-69-4|Polypropylene glycol|1,2-Epoxypropane polymer|1,2-Propanediol, homopolymer|1,2-Propanenediol, polymer with methyloxirane|1,2-Propylene glycol-propylene oxide polymer|Acclaim 18200N|Acclaim 2020|Acclaim 3200|Acclaim 4000|Acclaim 8000|Acclaim 8200N|Acclaim DPP 12200|Actcol 51-530|Actcol MF 30|Actcol P 21|Actcol P 22|Actcol P 23|Actcol P 23K|Actcol P 25|Actcol PC 244|Actocol 51-530|Adeka Carpol DL|Adeka Carpol DL 150|Adeka Carpol DL 30|Adeka Carpol DL 80|Adeka Carpol M 110|Adeka P 1000|Adeka P 2000|Adeka P 3000|Adeka P 400|Adeka P 700|Adeka Polyether P 1000|Adeka Polyether P 2000|Adeka Polyether P 700|Alcupol D 2021|Alkapal PPG-1200|Alkapal PPG-2000|Alkapal PPG-4000|Alkapol PPG 4000|alpha-Hydro-omega-hydroxypoly(oxy(methyl-1,2-ethanediyl))|alpha-Hydro-omega-hydroxypoly(oxypropylene)|Arco R 2446|Arcol 1000N|Arcol PPG 1000|Arcol PPG 1025|Arcol PPG 2000|Arcol PPG 2025|Arcol PPG 3025|Arcol PPG 425|Arcol PPG 725|Arcol R 1885|Bloat guard|Caswell No. 680|Desmophen 1262BD|Desmophen 1600 U|Desmophen 1600U|Desmophen 2060BD|Desmophen 2061BD|De|100357-60-6|1014983-27-7|1049785-16-1|105844-84-6|109489-48-7|111146-16-8|115450-63-0|116958-46-4|1169934-33-1|117715-07-8|117968-93-1|118441-48-8|119652-85-6|120468-96-4|1205544-87-1|122392-88-5|123687-98-9|124448-74-4|124631-70-5|125147-71-9|125386-95-0|126906-04-5|1269983-38-1|130842-36-3|131649-30-4|133439-62-0|134092-40-3|134192-23-7|135355-02-1|1381802-76-1|138704-46-8|1419790-34-3|143550-15-6|143710-19-4|145699-74-7|146024-61-5|150825-72-2|152287-82-6|161278-03-1|1629855-91-9|171904-01-1|174206-36-1|174722-18-0|176742-37-3|187954-99-0|1883798-63-7|205657-26-7|2085678-39-1|2133455-29-3|250380-45-1|252369-71-4|25266-78-8|27274-27-7|27615-86-7|28724-27-8|29434-03-5|310902-91-1|34465-52-6|372166-28-4|37231-68-8|380912-66-3|380912-82-3|39465-43-5|51019-30-8|51568-92-4|51922-49-7|52309-41-8|53528-82-8|53863-41-5|54500-36-6|56591-76-5|57137-06-1|61090-28-6|63279-07-2|64176-87-0|64940-80-3|660439-52-1|66174-27-4|66988-34-9|68821-81-8|69900-45-4|70992-51-7|74870-00-1|75139-15-0|777067-78-4|80408-02-2|80803-40-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9027863
ARPathway2016 ARPathway2016_1698 Polysorbate 80 9005-65-6 DTXSID0021175 1.0 A7 AR Pathway Model, Antagonist Model Score 0 Unitless Polysorbate 80 9005-65-6|Polysorbate 80|(Z)-Mono-9-octadecenoate sorbitan poly(oxy-1,2-ethanediyl) derivs.|Akamuls PSMO 20|Alkamuls PSMO 20|Alkamuls T 80|Armotan pmo-20|Atlox 8916TF|Avitears|Canarcel TW 80|Capmul POE-O|Cemerol T 80|Cemesol TW 1020|Crillet 4 Super|Derives poly(oxyethyleniques) du monooleate de sorbitane|Disponil SMO 120|Drewmulse poe-smo|Ecoteric 20|Ecoteric T 80|Emalex ET 8020|Emasol O 105R|Emsorb 6900|Emulson 100M|Emulson 10OM|Ethoxylated sorbitan monooleate|Ethsorbox O 20|Ethylan GE 08|Ethylene oxide-sorbitan monooleate polymer|Eumulgin SMO 20|FEMA No. 2917|Flo Mo SMO 20|Glycols, polyethylene, ether with sorbitan monooleate|Glycosperse O 20|Glycosperse O 5|Glycosperse O-20|Glycosperse O-20 VEG|Glycosperse O-20X|Hexaethylene glycol sorbitan monooleate|Hodag SVO 9|Ionet T 80C|Ionet-T 80PA|Lamesorb SMO 20|Liposorb O 20VBE|Montanox 80|Montanox 81VG|Montanox DF 80|Myvatex MSPS|NCI-C60286|Nikkol TO|Nikkol TO 10|Nikkol TO 106|Nikkol TO 10M|Nikkol TO 10V|Nissan Nonion OT 220|Nissan Nonion OT 221|Nofable ESO 9920|Nonio-light 0-30|Nonio-li|1286269-72-4|1340-85-8|141927-23-3|178631-96-4|209796-63-4|2137448-98-5|253447-34-6|361534-35-2|37199-23-8|37280-84-5|51377-27-6|541509-66-4|61723-75-9|8050-83-7|900143-89-7|9015-07-0|9050-49-1|9050-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021175 https://doi.org/10.22427/NTP-DATA-DTXSID0021175
ARPathway2016 ARPathway2016_1698 Polysorbate 80 9005-65-6 DTXSID0021175 1.0 A7 AR Pathway Model, Agonist Model Score 0 Unitless Polysorbate 80 9005-65-6|Polysorbate 80|(Z)-Mono-9-octadecenoate sorbitan poly(oxy-1,2-ethanediyl) derivs.|Akamuls PSMO 20|Alkamuls PSMO 20|Alkamuls T 80|Armotan pmo-20|Atlox 8916TF|Avitears|Canarcel TW 80|Capmul POE-O|Cemerol T 80|Cemesol TW 1020|Crillet 4 Super|Derives poly(oxyethyleniques) du monooleate de sorbitane|Disponil SMO 120|Drewmulse poe-smo|Ecoteric 20|Ecoteric T 80|Emalex ET 8020|Emasol O 105R|Emsorb 6900|Emulson 100M|Emulson 10OM|Ethoxylated sorbitan monooleate|Ethsorbox O 20|Ethylan GE 08|Ethylene oxide-sorbitan monooleate polymer|Eumulgin SMO 20|FEMA No. 2917|Flo Mo SMO 20|Glycols, polyethylene, ether with sorbitan monooleate|Glycosperse O 20|Glycosperse O 5|Glycosperse O-20|Glycosperse O-20 VEG|Glycosperse O-20X|Hexaethylene glycol sorbitan monooleate|Hodag SVO 9|Ionet T 80C|Ionet-T 80PA|Lamesorb SMO 20|Liposorb O 20VBE|Montanox 80|Montanox 81VG|Montanox DF 80|Myvatex MSPS|NCI-C60286|Nikkol TO|Nikkol TO 10|Nikkol TO 106|Nikkol TO 10M|Nikkol TO 10V|Nissan Nonion OT 220|Nissan Nonion OT 221|Nofable ESO 9920|Nonio-light 0-30|Nonio-li|1286269-72-4|1340-85-8|141927-23-3|178631-96-4|209796-63-4|2137448-98-5|253447-34-6|361534-35-2|37199-23-8|37280-84-5|51377-27-6|541509-66-4|61723-75-9|8050-83-7|900143-89-7|9015-07-0|9050-49-1|9050-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021175 https://doi.org/10.22427/NTP-DATA-DTXSID0021175
ARPathway2016 ARPathway2016_1698 Polysorbate 80 9005-65-6 DTXSID0021175 1.0 A7 AR Pathway Model, Agonist Call Inactive Unitless Polysorbate 80 9005-65-6|Polysorbate 80|(Z)-Mono-9-octadecenoate sorbitan poly(oxy-1,2-ethanediyl) derivs.|Akamuls PSMO 20|Alkamuls PSMO 20|Alkamuls T 80|Armotan pmo-20|Atlox 8916TF|Avitears|Canarcel TW 80|Capmul POE-O|Cemerol T 80|Cemesol TW 1020|Crillet 4 Super|Derives poly(oxyethyleniques) du monooleate de sorbitane|Disponil SMO 120|Drewmulse poe-smo|Ecoteric 20|Ecoteric T 80|Emalex ET 8020|Emasol O 105R|Emsorb 6900|Emulson 100M|Emulson 10OM|Ethoxylated sorbitan monooleate|Ethsorbox O 20|Ethylan GE 08|Ethylene oxide-sorbitan monooleate polymer|Eumulgin SMO 20|FEMA No. 2917|Flo Mo SMO 20|Glycols, polyethylene, ether with sorbitan monooleate|Glycosperse O 20|Glycosperse O 5|Glycosperse O-20|Glycosperse O-20 VEG|Glycosperse O-20X|Hexaethylene glycol sorbitan monooleate|Hodag SVO 9|Ionet T 80C|Ionet-T 80PA|Lamesorb SMO 20|Liposorb O 20VBE|Montanox 80|Montanox 81VG|Montanox DF 80|Myvatex MSPS|NCI-C60286|Nikkol TO|Nikkol TO 10|Nikkol TO 106|Nikkol TO 10M|Nikkol TO 10V|Nissan Nonion OT 220|Nissan Nonion OT 221|Nofable ESO 9920|Nonio-light 0-30|Nonio-li|1286269-72-4|1340-85-8|141927-23-3|178631-96-4|209796-63-4|2137448-98-5|253447-34-6|361534-35-2|37199-23-8|37280-84-5|51377-27-6|541509-66-4|61723-75-9|8050-83-7|900143-89-7|9015-07-0|9050-49-1|9050-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021175 https://doi.org/10.22427/NTP-DATA-DTXSID0021175
ARPathway2016 ARPathway2016_1698 Polysorbate 80 9005-65-6 DTXSID0021175 1.0 A7 AR Pathway Model, Antagonist Call Inactive Unitless Polysorbate 80 9005-65-6|Polysorbate 80|(Z)-Mono-9-octadecenoate sorbitan poly(oxy-1,2-ethanediyl) derivs.|Akamuls PSMO 20|Alkamuls PSMO 20|Alkamuls T 80|Armotan pmo-20|Atlox 8916TF|Avitears|Canarcel TW 80|Capmul POE-O|Cemerol T 80|Cemesol TW 1020|Crillet 4 Super|Derives poly(oxyethyleniques) du monooleate de sorbitane|Disponil SMO 120|Drewmulse poe-smo|Ecoteric 20|Ecoteric T 80|Emalex ET 8020|Emasol O 105R|Emsorb 6900|Emulson 100M|Emulson 10OM|Ethoxylated sorbitan monooleate|Ethsorbox O 20|Ethylan GE 08|Ethylene oxide-sorbitan monooleate polymer|Eumulgin SMO 20|FEMA No. 2917|Flo Mo SMO 20|Glycols, polyethylene, ether with sorbitan monooleate|Glycosperse O 20|Glycosperse O 5|Glycosperse O-20|Glycosperse O-20 VEG|Glycosperse O-20X|Hexaethylene glycol sorbitan monooleate|Hodag SVO 9|Ionet T 80C|Ionet-T 80PA|Lamesorb SMO 20|Liposorb O 20VBE|Montanox 80|Montanox 81VG|Montanox DF 80|Myvatex MSPS|NCI-C60286|Nikkol TO|Nikkol TO 10|Nikkol TO 106|Nikkol TO 10M|Nikkol TO 10V|Nissan Nonion OT 220|Nissan Nonion OT 221|Nofable ESO 9920|Nonio-light 0-30|Nonio-li|1286269-72-4|1340-85-8|141927-23-3|178631-96-4|209796-63-4|2137448-98-5|253447-34-6|361534-35-2|37199-23-8|37280-84-5|51377-27-6|541509-66-4|61723-75-9|8050-83-7|900143-89-7|9015-07-0|9050-49-1|9050-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021175 https://doi.org/10.22427/NTP-DATA-DTXSID0021175
ERPathway2016 ERPathway2016_1733 Polysorbate 80 9005-65-6 DTXSID0021175 ER Pathway Model, Agonist Model Score 0 Unitless Polysorbate 80 9005-65-6|Polysorbate 80|(Z)-Mono-9-octadecenoate sorbitan poly(oxy-1,2-ethanediyl) derivs.|Akamuls PSMO 20|Alkamuls PSMO 20|Alkamuls T 80|Armotan pmo-20|Atlox 8916TF|Avitears|Canarcel TW 80|Capmul POE-O|Cemerol T 80|Cemesol TW 1020|Crillet 4 Super|Derives poly(oxyethyleniques) du monooleate de sorbitane|Disponil SMO 120|Drewmulse poe-smo|Ecoteric 20|Ecoteric T 80|Emalex ET 8020|Emasol O 105R|Emsorb 6900|Emulson 100M|Emulson 10OM|Ethoxylated sorbitan monooleate|Ethsorbox O 20|Ethylan GE 08|Ethylene oxide-sorbitan monooleate polymer|Eumulgin SMO 20|FEMA No. 2917|Flo Mo SMO 20|Glycols, polyethylene, ether with sorbitan monooleate|Glycosperse O 20|Glycosperse O 5|Glycosperse O-20|Glycosperse O-20 VEG|Glycosperse O-20X|Hexaethylene glycol sorbitan monooleate|Hodag SVO 9|Ionet T 80C|Ionet-T 80PA|Lamesorb SMO 20|Liposorb O 20VBE|Montanox 80|Montanox 81VG|Montanox DF 80|Myvatex MSPS|NCI-C60286|Nikkol TO|Nikkol TO 10|Nikkol TO 106|Nikkol TO 10M|Nikkol TO 10V|Nissan Nonion OT 220|Nissan Nonion OT 221|Nofable ESO 9920|Nonio-light 0-30|Nonio-li|1286269-72-4|1340-85-8|141927-23-3|178631-96-4|209796-63-4|2137448-98-5|253447-34-6|361534-35-2|37199-23-8|37280-84-5|51377-27-6|541509-66-4|61723-75-9|8050-83-7|900143-89-7|9015-07-0|9050-49-1|9050-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021175 https://doi.org/10.22427/NTP-DATA-DTXSID0021175
ERPathway2016 ERPathway2016_1733 Polysorbate 80 9005-65-6 DTXSID0021175 ER Pathway Model, Antagonist Model Score 0 Unitless Polysorbate 80 9005-65-6|Polysorbate 80|(Z)-Mono-9-octadecenoate sorbitan poly(oxy-1,2-ethanediyl) derivs.|Akamuls PSMO 20|Alkamuls PSMO 20|Alkamuls T 80|Armotan pmo-20|Atlox 8916TF|Avitears|Canarcel TW 80|Capmul POE-O|Cemerol T 80|Cemesol TW 1020|Crillet 4 Super|Derives poly(oxyethyleniques) du monooleate de sorbitane|Disponil SMO 120|Drewmulse poe-smo|Ecoteric 20|Ecoteric T 80|Emalex ET 8020|Emasol O 105R|Emsorb 6900|Emulson 100M|Emulson 10OM|Ethoxylated sorbitan monooleate|Ethsorbox O 20|Ethylan GE 08|Ethylene oxide-sorbitan monooleate polymer|Eumulgin SMO 20|FEMA No. 2917|Flo Mo SMO 20|Glycols, polyethylene, ether with sorbitan monooleate|Glycosperse O 20|Glycosperse O 5|Glycosperse O-20|Glycosperse O-20 VEG|Glycosperse O-20X|Hexaethylene glycol sorbitan monooleate|Hodag SVO 9|Ionet T 80C|Ionet-T 80PA|Lamesorb SMO 20|Liposorb O 20VBE|Montanox 80|Montanox 81VG|Montanox DF 80|Myvatex MSPS|NCI-C60286|Nikkol TO|Nikkol TO 10|Nikkol TO 106|Nikkol TO 10M|Nikkol TO 10V|Nissan Nonion OT 220|Nissan Nonion OT 221|Nofable ESO 9920|Nonio-light 0-30|Nonio-li|1286269-72-4|1340-85-8|141927-23-3|178631-96-4|209796-63-4|2137448-98-5|253447-34-6|361534-35-2|37199-23-8|37280-84-5|51377-27-6|541509-66-4|61723-75-9|8050-83-7|900143-89-7|9015-07-0|9050-49-1|9050-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021175 https://doi.org/10.22427/NTP-DATA-DTXSID0021175
ERPathway2016 ERPathway2016_1733 Polysorbate 80 9005-65-6 DTXSID0021175 ER Pathway Model, Agonist Call Inactive Unitless Polysorbate 80 9005-65-6|Polysorbate 80|(Z)-Mono-9-octadecenoate sorbitan poly(oxy-1,2-ethanediyl) derivs.|Akamuls PSMO 20|Alkamuls PSMO 20|Alkamuls T 80|Armotan pmo-20|Atlox 8916TF|Avitears|Canarcel TW 80|Capmul POE-O|Cemerol T 80|Cemesol TW 1020|Crillet 4 Super|Derives poly(oxyethyleniques) du monooleate de sorbitane|Disponil SMO 120|Drewmulse poe-smo|Ecoteric 20|Ecoteric T 80|Emalex ET 8020|Emasol O 105R|Emsorb 6900|Emulson 100M|Emulson 10OM|Ethoxylated sorbitan monooleate|Ethsorbox O 20|Ethylan GE 08|Ethylene oxide-sorbitan monooleate polymer|Eumulgin SMO 20|FEMA No. 2917|Flo Mo SMO 20|Glycols, polyethylene, ether with sorbitan monooleate|Glycosperse O 20|Glycosperse O 5|Glycosperse O-20|Glycosperse O-20 VEG|Glycosperse O-20X|Hexaethylene glycol sorbitan monooleate|Hodag SVO 9|Ionet T 80C|Ionet-T 80PA|Lamesorb SMO 20|Liposorb O 20VBE|Montanox 80|Montanox 81VG|Montanox DF 80|Myvatex MSPS|NCI-C60286|Nikkol TO|Nikkol TO 10|Nikkol TO 106|Nikkol TO 10M|Nikkol TO 10V|Nissan Nonion OT 220|Nissan Nonion OT 221|Nofable ESO 9920|Nonio-light 0-30|Nonio-li|1286269-72-4|1340-85-8|141927-23-3|178631-96-4|209796-63-4|2137448-98-5|253447-34-6|361534-35-2|37199-23-8|37280-84-5|51377-27-6|541509-66-4|61723-75-9|8050-83-7|900143-89-7|9015-07-0|9050-49-1|9050-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021175 https://doi.org/10.22427/NTP-DATA-DTXSID0021175
ERPathway2016 ERPathway2016_1733 Polysorbate 80 9005-65-6 DTXSID0021175 ER Pathway Model, Antagonist Call Inactive Unitless Polysorbate 80 9005-65-6|Polysorbate 80|(Z)-Mono-9-octadecenoate sorbitan poly(oxy-1,2-ethanediyl) derivs.|Akamuls PSMO 20|Alkamuls PSMO 20|Alkamuls T 80|Armotan pmo-20|Atlox 8916TF|Avitears|Canarcel TW 80|Capmul POE-O|Cemerol T 80|Cemesol TW 1020|Crillet 4 Super|Derives poly(oxyethyleniques) du monooleate de sorbitane|Disponil SMO 120|Drewmulse poe-smo|Ecoteric 20|Ecoteric T 80|Emalex ET 8020|Emasol O 105R|Emsorb 6900|Emulson 100M|Emulson 10OM|Ethoxylated sorbitan monooleate|Ethsorbox O 20|Ethylan GE 08|Ethylene oxide-sorbitan monooleate polymer|Eumulgin SMO 20|FEMA No. 2917|Flo Mo SMO 20|Glycols, polyethylene, ether with sorbitan monooleate|Glycosperse O 20|Glycosperse O 5|Glycosperse O-20|Glycosperse O-20 VEG|Glycosperse O-20X|Hexaethylene glycol sorbitan monooleate|Hodag SVO 9|Ionet T 80C|Ionet-T 80PA|Lamesorb SMO 20|Liposorb O 20VBE|Montanox 80|Montanox 81VG|Montanox DF 80|Myvatex MSPS|NCI-C60286|Nikkol TO|Nikkol TO 10|Nikkol TO 106|Nikkol TO 10M|Nikkol TO 10V|Nissan Nonion OT 220|Nissan Nonion OT 221|Nofable ESO 9920|Nonio-light 0-30|Nonio-li|1286269-72-4|1340-85-8|141927-23-3|178631-96-4|209796-63-4|2137448-98-5|253447-34-6|361534-35-2|37199-23-8|37280-84-5|51377-27-6|541509-66-4|61723-75-9|8050-83-7|900143-89-7|9015-07-0|9050-49-1|9050-57-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021175 https://doi.org/10.22427/NTP-DATA-DTXSID0021175
ARPathway2016 ARPathway2016_1137 Potassium 2-ethylhexanoate 3164-85-0 DTXSID4027525 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [K+].CCCCC(CC)C([O-])=O Potassium 2-ethylhexanoate 3164-85-0|Potassium 2-ethylhexanoate|2-Ethylhexanoic acid, potassium salt|EINECS 221-625-7|Hexanoic acid, 2-ethyl-, potassium salt|Hexanoic acid, 2-ethyl-, potassium salt (1:1)|Potassium 2-ethylhexanoate|UNII-P089X9A38X|93357-97-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027525
ARPathway2016 ARPathway2016_1137 Potassium 2-ethylhexanoate 3164-85-0 DTXSID4027525 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [K+].CCCCC(CC)C([O-])=O Potassium 2-ethylhexanoate 3164-85-0|Potassium 2-ethylhexanoate|2-Ethylhexanoic acid, potassium salt|EINECS 221-625-7|Hexanoic acid, 2-ethyl-, potassium salt|Hexanoic acid, 2-ethyl-, potassium salt (1:1)|Potassium 2-ethylhexanoate|UNII-P089X9A38X|93357-97-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027525
ARPathway2016 ARPathway2016_1137 Potassium 2-ethylhexanoate 3164-85-0 DTXSID4027525 0.0 AR Pathway Model, Agonist Call Inactive Unitless [K+].CCCCC(CC)C([O-])=O Potassium 2-ethylhexanoate 3164-85-0|Potassium 2-ethylhexanoate|2-Ethylhexanoic acid, potassium salt|EINECS 221-625-7|Hexanoic acid, 2-ethyl-, potassium salt|Hexanoic acid, 2-ethyl-, potassium salt (1:1)|Potassium 2-ethylhexanoate|UNII-P089X9A38X|93357-97-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027525
ARPathway2016 ARPathway2016_1137 Potassium 2-ethylhexanoate 3164-85-0 DTXSID4027525 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [K+].CCCCC(CC)C([O-])=O Potassium 2-ethylhexanoate 3164-85-0|Potassium 2-ethylhexanoate|2-Ethylhexanoic acid, potassium salt|EINECS 221-625-7|Hexanoic acid, 2-ethyl-, potassium salt|Hexanoic acid, 2-ethyl-, potassium salt (1:1)|Potassium 2-ethylhexanoate|UNII-P089X9A38X|93357-97-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027525
ERPathway2016 ERPathway2016_450 Potassium 2-ethylhexanoate 3164-85-0 DTXSID4027525 ER Pathway Model, Antagonist AC50 13.6840511384112 uM [K+].CCCCC(CC)C([O-])=O Potassium 2-ethylhexanoate 3164-85-0|Potassium 2-ethylhexanoate|2-Ethylhexanoic acid, potassium salt|EINECS 221-625-7|Hexanoic acid, 2-ethyl-, potassium salt|Hexanoic acid, 2-ethyl-, potassium salt (1:1)|Potassium 2-ethylhexanoate|UNII-P089X9A38X|93357-97-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027525
ERPathway2016 ERPathway2016_450 Potassium 2-ethylhexanoate 3164-85-0 DTXSID4027525 ER Pathway Model, Antagonist ACC 15.3182237282638 uM [K+].CCCCC(CC)C([O-])=O Potassium 2-ethylhexanoate 3164-85-0|Potassium 2-ethylhexanoate|2-Ethylhexanoic acid, potassium salt|EINECS 221-625-7|Hexanoic acid, 2-ethyl-, potassium salt|Hexanoic acid, 2-ethyl-, potassium salt (1:1)|Potassium 2-ethylhexanoate|UNII-P089X9A38X|93357-97-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027525
ERPathway2016 ERPathway2016_450 Potassium 2-ethylhexanoate 3164-85-0 DTXSID4027525 ER Pathway Model, Agonist Model Score 0.00456 Unitless [K+].CCCCC(CC)C([O-])=O Potassium 2-ethylhexanoate 3164-85-0|Potassium 2-ethylhexanoate|2-Ethylhexanoic acid, potassium salt|EINECS 221-625-7|Hexanoic acid, 2-ethyl-, potassium salt|Hexanoic acid, 2-ethyl-, potassium salt (1:1)|Potassium 2-ethylhexanoate|UNII-P089X9A38X|93357-97-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027525
ERPathway2016 ERPathway2016_450 Potassium 2-ethylhexanoate 3164-85-0 DTXSID4027525 ER Pathway Model, Antagonist Model Score 0 Unitless [K+].CCCCC(CC)C([O-])=O Potassium 2-ethylhexanoate 3164-85-0|Potassium 2-ethylhexanoate|2-Ethylhexanoic acid, potassium salt|EINECS 221-625-7|Hexanoic acid, 2-ethyl-, potassium salt|Hexanoic acid, 2-ethyl-, potassium salt (1:1)|Potassium 2-ethylhexanoate|UNII-P089X9A38X|93357-97-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027525
ERPathway2016 ERPathway2016_450 Potassium 2-ethylhexanoate 3164-85-0 DTXSID4027525 ER Pathway Model, Agonist Call Inactive Unitless [K+].CCCCC(CC)C([O-])=O Potassium 2-ethylhexanoate 3164-85-0|Potassium 2-ethylhexanoate|2-Ethylhexanoic acid, potassium salt|EINECS 221-625-7|Hexanoic acid, 2-ethyl-, potassium salt|Hexanoic acid, 2-ethyl-, potassium salt (1:1)|Potassium 2-ethylhexanoate|UNII-P089X9A38X|93357-97-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027525
ERPathway2016 ERPathway2016_450 Potassium 2-ethylhexanoate 3164-85-0 DTXSID4027525 ER Pathway Model, Antagonist Call Active Unitless [K+].CCCCC(CC)C([O-])=O Potassium 2-ethylhexanoate 3164-85-0|Potassium 2-ethylhexanoate|2-Ethylhexanoic acid, potassium salt|EINECS 221-625-7|Hexanoic acid, 2-ethyl-, potassium salt|Hexanoic acid, 2-ethyl-, potassium salt (1:1)|Potassium 2-ethylhexanoate|UNII-P089X9A38X|93357-97-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027525
ARPathway2016 ARPathway2016_329 Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328 DTXSID5047328 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 44.4069208285276 uM O.[K+].NC(=O)C1=NC(=N[N-]1)C1=CC=CC(=C1)C1=CC(F)=CC=C1OCC(F)(F)C(F)(F)F Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328|Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1)|MK-274 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047328
ARPathway2016 ARPathway2016_329 Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328 DTXSID5047328 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 37.6369327965739 uM O.[K+].NC(=O)C1=NC(=N[N-]1)C1=CC=CC(=C1)C1=CC(F)=CC=C1OCC(F)(F)C(F)(F)F Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328|Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1)|MK-274 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047328
ARPathway2016 ARPathway2016_329 Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328 DTXSID5047328 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0983 Unitless O.[K+].NC(=O)C1=NC(=N[N-]1)C1=CC=CC(=C1)C1=CC(F)=CC=C1OCC(F)(F)C(F)(F)F Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328|Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1)|MK-274 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047328
ARPathway2016 ARPathway2016_329 Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328 DTXSID5047328 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless O.[K+].NC(=O)C1=NC(=N[N-]1)C1=CC=CC(=C1)C1=CC(F)=CC=C1OCC(F)(F)C(F)(F)F Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328|Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1)|MK-274 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047328
ARPathway2016 ARPathway2016_329 Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328 DTXSID5047328 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless O.[K+].NC(=O)C1=NC(=N[N-]1)C1=CC=CC(=C1)C1=CC(F)=CC=C1OCC(F)(F)C(F)(F)F Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328|Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1)|MK-274 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047328
ARPathway2016 ARPathway2016_329 Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328 DTXSID5047328 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless O.[K+].NC(=O)C1=NC(=N[N-]1)C1=CC=CC(=C1)C1=CC(F)=CC=C1OCC(F)(F)C(F)(F)F Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328|Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1)|MK-274 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047328
ERPathway2016 ERPathway2016_576 Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328 DTXSID5047328 ER Pathway Model, Agonist Model Score 0 Unitless O.[K+].NC(=O)C1=NC(=N[N-]1)C1=CC=CC(=C1)C1=CC(F)=CC=C1OCC(F)(F)C(F)(F)F Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328|Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1)|MK-274 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047328
ERPathway2016 ERPathway2016_576 Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328 DTXSID5047328 ER Pathway Model, Antagonist Model Score 0 Unitless O.[K+].NC(=O)C1=NC(=N[N-]1)C1=CC=CC(=C1)C1=CC(F)=CC=C1OCC(F)(F)C(F)(F)F Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328|Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1)|MK-274 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047328
ERPathway2016 ERPathway2016_576 Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328 DTXSID5047328 ER Pathway Model, Agonist Call Inactive Unitless O.[K+].NC(=O)C1=NC(=N[N-]1)C1=CC=CC(=C1)C1=CC(F)=CC=C1OCC(F)(F)C(F)(F)F Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328|Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1)|MK-274 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047328
ERPathway2016 ERPathway2016_576 Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328 DTXSID5047328 ER Pathway Model, Antagonist Call Inactive Unitless O.[K+].NC(=O)C1=NC(=N[N-]1)C1=CC=CC(=C1)C1=CC(F)=CC=C1OCC(F)(F)C(F)(F)F Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1) NOCAS_47328|Potassium 5-carbamoyl-3-[5'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)-3-biphenylyl]-1,2,4-triazol-1-ide hydrate (1:1:1)|MK-274 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047328
ARPathway2016 ARPathway2016_1181 Potassium chlorate 3811-04-9 DTXSID6047448 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless [K+].[O-][Cl](=O)=O Potassium chlorate 3811-04-9|Potassium chlorate|Anforstan|Berthollet salt|Berthollet's salt|Chlorate de potassium|Chlorate of potash|Chlorate of potassium|Chloric acid (HClO3) potassium salt|Chloric acid potassium salt|Chloric acid potassium salt (1:1)|Chloric acid, potassium salt|Chloric acid, potassium salt (1:1)|clorato de potasio|EINECS 223-289-7|Fekabit|Kaliumchloraat|Kaliumchlorat|NSC 68505|Oxymuriate of potash|Potash chlorate|Potassium oxymuriate|Potcrate|Salt of tarter|UN 1485|UN 2427|UNII-H35KS68EE7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047448
ARPathway2016 ARPathway2016_1181 Potassium chlorate 3811-04-9 DTXSID6047448 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless [K+].[O-][Cl](=O)=O Potassium chlorate 3811-04-9|Potassium chlorate|Anforstan|Berthollet salt|Berthollet's salt|Chlorate de potassium|Chlorate of potash|Chlorate of potassium|Chloric acid (HClO3) potassium salt|Chloric acid potassium salt|Chloric acid potassium salt (1:1)|Chloric acid, potassium salt|Chloric acid, potassium salt (1:1)|clorato de potasio|EINECS 223-289-7|Fekabit|Kaliumchloraat|Kaliumchlorat|NSC 68505|Oxymuriate of potash|Potash chlorate|Potassium oxymuriate|Potcrate|Salt of tarter|UN 1485|UN 2427|UNII-H35KS68EE7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047448
ARPathway2016 ARPathway2016_1181 Potassium chlorate 3811-04-9 DTXSID6047448 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless [K+].[O-][Cl](=O)=O Potassium chlorate 3811-04-9|Potassium chlorate|Anforstan|Berthollet salt|Berthollet's salt|Chlorate de potassium|Chlorate of potash|Chlorate of potassium|Chloric acid (HClO3) potassium salt|Chloric acid potassium salt|Chloric acid potassium salt (1:1)|Chloric acid, potassium salt|Chloric acid, potassium salt (1:1)|clorato de potasio|EINECS 223-289-7|Fekabit|Kaliumchloraat|Kaliumchlorat|NSC 68505|Oxymuriate of potash|Potash chlorate|Potassium oxymuriate|Potcrate|Salt of tarter|UN 1485|UN 2427|UNII-H35KS68EE7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047448
ARPathway2016 ARPathway2016_1181 Potassium chlorate 3811-04-9 DTXSID6047448 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless [K+].[O-][Cl](=O)=O Potassium chlorate 3811-04-9|Potassium chlorate|Anforstan|Berthollet salt|Berthollet's salt|Chlorate de potassium|Chlorate of potash|Chlorate of potassium|Chloric acid (HClO3) potassium salt|Chloric acid potassium salt|Chloric acid potassium salt (1:1)|Chloric acid, potassium salt|Chloric acid, potassium salt (1:1)|clorato de potasio|EINECS 223-289-7|Fekabit|Kaliumchloraat|Kaliumchlorat|NSC 68505|Oxymuriate of potash|Potash chlorate|Potassium oxymuriate|Potcrate|Salt of tarter|UN 1485|UN 2427|UNII-H35KS68EE7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047448
ERPathway2016 ERPathway2016_1475 Potassium chlorate 3811-04-9 DTXSID6047448 ER Pathway Model, Agonist Model Score 0 Unitless [K+].[O-][Cl](=O)=O Potassium chlorate 3811-04-9|Potassium chlorate|Anforstan|Berthollet salt|Berthollet's salt|Chlorate de potassium|Chlorate of potash|Chlorate of potassium|Chloric acid (HClO3) potassium salt|Chloric acid potassium salt|Chloric acid potassium salt (1:1)|Chloric acid, potassium salt|Chloric acid, potassium salt (1:1)|clorato de potasio|EINECS 223-289-7|Fekabit|Kaliumchloraat|Kaliumchlorat|NSC 68505|Oxymuriate of potash|Potash chlorate|Potassium oxymuriate|Potcrate|Salt of tarter|UN 1485|UN 2427|UNII-H35KS68EE7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047448
ERPathway2016 ERPathway2016_1475 Potassium chlorate 3811-04-9 DTXSID6047448 ER Pathway Model, Antagonist Model Score 0 Unitless [K+].[O-][Cl](=O)=O Potassium chlorate 3811-04-9|Potassium chlorate|Anforstan|Berthollet salt|Berthollet's salt|Chlorate de potassium|Chlorate of potash|Chlorate of potassium|Chloric acid (HClO3) potassium salt|Chloric acid potassium salt|Chloric acid potassium salt (1:1)|Chloric acid, potassium salt|Chloric acid, potassium salt (1:1)|clorato de potasio|EINECS 223-289-7|Fekabit|Kaliumchloraat|Kaliumchlorat|NSC 68505|Oxymuriate of potash|Potash chlorate|Potassium oxymuriate|Potcrate|Salt of tarter|UN 1485|UN 2427|UNII-H35KS68EE7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047448
ERPathway2016 ERPathway2016_1475 Potassium chlorate 3811-04-9 DTXSID6047448 ER Pathway Model, Agonist Call Inactive Unitless [K+].[O-][Cl](=O)=O Potassium chlorate 3811-04-9|Potassium chlorate|Anforstan|Berthollet salt|Berthollet's salt|Chlorate de potassium|Chlorate of potash|Chlorate of potassium|Chloric acid (HClO3) potassium salt|Chloric acid potassium salt|Chloric acid potassium salt (1:1)|Chloric acid, potassium salt|Chloric acid, potassium salt (1:1)|clorato de potasio|EINECS 223-289-7|Fekabit|Kaliumchloraat|Kaliumchlorat|NSC 68505|Oxymuriate of potash|Potash chlorate|Potassium oxymuriate|Potcrate|Salt of tarter|UN 1485|UN 2427|UNII-H35KS68EE7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047448
ERPathway2016 ERPathway2016_1475 Potassium chlorate 3811-04-9 DTXSID6047448 ER Pathway Model, Antagonist Call Inactive Unitless [K+].[O-][Cl](=O)=O Potassium chlorate 3811-04-9|Potassium chlorate|Anforstan|Berthollet salt|Berthollet's salt|Chlorate de potassium|Chlorate of potash|Chlorate of potassium|Chloric acid (HClO3) potassium salt|Chloric acid potassium salt|Chloric acid potassium salt (1:1)|Chloric acid, potassium salt|Chloric acid, potassium salt (1:1)|clorato de potasio|EINECS 223-289-7|Fekabit|Kaliumchloraat|Kaliumchlorat|NSC 68505|Oxymuriate of potash|Potash chlorate|Potassium oxymuriate|Potcrate|Salt of tarter|UN 1485|UN 2427|UNII-H35KS68EE7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047448
ARPathway2016 ARPathway2016_1012 Potassium dichloroisocyanurate 2244-21-5 DTXSID5026178 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [K+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Potassium dichloroisocyanurate 2244-21-5|Potassium dichloroisocyanurate|1,3-Dichloro-s-triazine-2,4,6(1H,3H,5H)trione potassium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, potassium salt (1:1)|3,5-Dichlorotetrahydro-2,4,6-trioxo-s-triazin-1(2H)-yl potassium|Caswell No. 689|Dichloro-s-triazin-2,4,6(1H,3H,5H)-trione potassium deriv|Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione potassium|Dichloroisocyanuric acid potassium salt|EINECS 218-828-8|EPA Pesticide Chemical Code 081403|Fluonon|Isocyanuric acid, dichloro-, potassium salt|Laitonon|Neochlor 59|NSC 251767|Potassium dichloro isocyanurate|Potassium dichloro-s-triazinetrione|Potassium dichloro-s-triazinetrione, dry|s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, potassium salt|s-Triazine-2,4,6(1H,3H,5H)-trione, dichloro-, potassium deriv|Troclosene potassique|Trocloseno potasico|UNII-8A85D111P0|14426-07-4|156620-80-3|174016-61-6|25727-26-8|57073-47-9|68462-52-2|73694-07-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026178 https://doi.org/10.22427/NTP-DATA-DTXSID5026178
ARPathway2016 ARPathway2016_1012 Potassium dichloroisocyanurate 2244-21-5 DTXSID5026178 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [K+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Potassium dichloroisocyanurate 2244-21-5|Potassium dichloroisocyanurate|1,3-Dichloro-s-triazine-2,4,6(1H,3H,5H)trione potassium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, potassium salt (1:1)|3,5-Dichlorotetrahydro-2,4,6-trioxo-s-triazin-1(2H)-yl potassium|Caswell No. 689|Dichloro-s-triazin-2,4,6(1H,3H,5H)-trione potassium deriv|Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione potassium|Dichloroisocyanuric acid potassium salt|EINECS 218-828-8|EPA Pesticide Chemical Code 081403|Fluonon|Isocyanuric acid, dichloro-, potassium salt|Laitonon|Neochlor 59|NSC 251767|Potassium dichloro isocyanurate|Potassium dichloro-s-triazinetrione|Potassium dichloro-s-triazinetrione, dry|s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, potassium salt|s-Triazine-2,4,6(1H,3H,5H)-trione, dichloro-, potassium deriv|Troclosene potassique|Trocloseno potasico|UNII-8A85D111P0|14426-07-4|156620-80-3|174016-61-6|25727-26-8|57073-47-9|68462-52-2|73694-07-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026178 https://doi.org/10.22427/NTP-DATA-DTXSID5026178
ARPathway2016 ARPathway2016_1012 Potassium dichloroisocyanurate 2244-21-5 DTXSID5026178 0.0 AR Pathway Model, Agonist Call Inactive Unitless [K+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Potassium dichloroisocyanurate 2244-21-5|Potassium dichloroisocyanurate|1,3-Dichloro-s-triazine-2,4,6(1H,3H,5H)trione potassium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, potassium salt (1:1)|3,5-Dichlorotetrahydro-2,4,6-trioxo-s-triazin-1(2H)-yl potassium|Caswell No. 689|Dichloro-s-triazin-2,4,6(1H,3H,5H)-trione potassium deriv|Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione potassium|Dichloroisocyanuric acid potassium salt|EINECS 218-828-8|EPA Pesticide Chemical Code 081403|Fluonon|Isocyanuric acid, dichloro-, potassium salt|Laitonon|Neochlor 59|NSC 251767|Potassium dichloro isocyanurate|Potassium dichloro-s-triazinetrione|Potassium dichloro-s-triazinetrione, dry|s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, potassium salt|s-Triazine-2,4,6(1H,3H,5H)-trione, dichloro-, potassium deriv|Troclosene potassique|Trocloseno potasico|UNII-8A85D111P0|14426-07-4|156620-80-3|174016-61-6|25727-26-8|57073-47-9|68462-52-2|73694-07-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026178 https://doi.org/10.22427/NTP-DATA-DTXSID5026178
ARPathway2016 ARPathway2016_1012 Potassium dichloroisocyanurate 2244-21-5 DTXSID5026178 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [K+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Potassium dichloroisocyanurate 2244-21-5|Potassium dichloroisocyanurate|1,3-Dichloro-s-triazine-2,4,6(1H,3H,5H)trione potassium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, potassium salt (1:1)|3,5-Dichlorotetrahydro-2,4,6-trioxo-s-triazin-1(2H)-yl potassium|Caswell No. 689|Dichloro-s-triazin-2,4,6(1H,3H,5H)-trione potassium deriv|Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione potassium|Dichloroisocyanuric acid potassium salt|EINECS 218-828-8|EPA Pesticide Chemical Code 081403|Fluonon|Isocyanuric acid, dichloro-, potassium salt|Laitonon|Neochlor 59|NSC 251767|Potassium dichloro isocyanurate|Potassium dichloro-s-triazinetrione|Potassium dichloro-s-triazinetrione, dry|s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, potassium salt|s-Triazine-2,4,6(1H,3H,5H)-trione, dichloro-, potassium deriv|Troclosene potassique|Trocloseno potasico|UNII-8A85D111P0|14426-07-4|156620-80-3|174016-61-6|25727-26-8|57073-47-9|68462-52-2|73694-07-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026178 https://doi.org/10.22427/NTP-DATA-DTXSID5026178
ERPathway2016 ERPathway2016_1384 Potassium dichloroisocyanurate 2244-21-5 DTXSID5026178 ER Pathway Model, Agonist Model Score 0 Unitless [K+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Potassium dichloroisocyanurate 2244-21-5|Potassium dichloroisocyanurate|1,3-Dichloro-s-triazine-2,4,6(1H,3H,5H)trione potassium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, potassium salt (1:1)|3,5-Dichlorotetrahydro-2,4,6-trioxo-s-triazin-1(2H)-yl potassium|Caswell No. 689|Dichloro-s-triazin-2,4,6(1H,3H,5H)-trione potassium deriv|Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione potassium|Dichloroisocyanuric acid potassium salt|EINECS 218-828-8|EPA Pesticide Chemical Code 081403|Fluonon|Isocyanuric acid, dichloro-, potassium salt|Laitonon|Neochlor 59|NSC 251767|Potassium dichloro isocyanurate|Potassium dichloro-s-triazinetrione|Potassium dichloro-s-triazinetrione, dry|s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, potassium salt|s-Triazine-2,4,6(1H,3H,5H)-trione, dichloro-, potassium deriv|Troclosene potassique|Trocloseno potasico|UNII-8A85D111P0|14426-07-4|156620-80-3|174016-61-6|25727-26-8|57073-47-9|68462-52-2|73694-07-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026178 https://doi.org/10.22427/NTP-DATA-DTXSID5026178
ERPathway2016 ERPathway2016_1384 Potassium dichloroisocyanurate 2244-21-5 DTXSID5026178 ER Pathway Model, Antagonist Model Score 0 Unitless [K+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Potassium dichloroisocyanurate 2244-21-5|Potassium dichloroisocyanurate|1,3-Dichloro-s-triazine-2,4,6(1H,3H,5H)trione potassium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, potassium salt (1:1)|3,5-Dichlorotetrahydro-2,4,6-trioxo-s-triazin-1(2H)-yl potassium|Caswell No. 689|Dichloro-s-triazin-2,4,6(1H,3H,5H)-trione potassium deriv|Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione potassium|Dichloroisocyanuric acid potassium salt|EINECS 218-828-8|EPA Pesticide Chemical Code 081403|Fluonon|Isocyanuric acid, dichloro-, potassium salt|Laitonon|Neochlor 59|NSC 251767|Potassium dichloro isocyanurate|Potassium dichloro-s-triazinetrione|Potassium dichloro-s-triazinetrione, dry|s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, potassium salt|s-Triazine-2,4,6(1H,3H,5H)-trione, dichloro-, potassium deriv|Troclosene potassique|Trocloseno potasico|UNII-8A85D111P0|14426-07-4|156620-80-3|174016-61-6|25727-26-8|57073-47-9|68462-52-2|73694-07-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026178 https://doi.org/10.22427/NTP-DATA-DTXSID5026178
ERPathway2016 ERPathway2016_1384 Potassium dichloroisocyanurate 2244-21-5 DTXSID5026178 ER Pathway Model, Agonist Call Inactive Unitless [K+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Potassium dichloroisocyanurate 2244-21-5|Potassium dichloroisocyanurate|1,3-Dichloro-s-triazine-2,4,6(1H,3H,5H)trione potassium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, potassium salt (1:1)|3,5-Dichlorotetrahydro-2,4,6-trioxo-s-triazin-1(2H)-yl potassium|Caswell No. 689|Dichloro-s-triazin-2,4,6(1H,3H,5H)-trione potassium deriv|Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione potassium|Dichloroisocyanuric acid potassium salt|EINECS 218-828-8|EPA Pesticide Chemical Code 081403|Fluonon|Isocyanuric acid, dichloro-, potassium salt|Laitonon|Neochlor 59|NSC 251767|Potassium dichloro isocyanurate|Potassium dichloro-s-triazinetrione|Potassium dichloro-s-triazinetrione, dry|s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, potassium salt|s-Triazine-2,4,6(1H,3H,5H)-trione, dichloro-, potassium deriv|Troclosene potassique|Trocloseno potasico|UNII-8A85D111P0|14426-07-4|156620-80-3|174016-61-6|25727-26-8|57073-47-9|68462-52-2|73694-07-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026178 https://doi.org/10.22427/NTP-DATA-DTXSID5026178
ERPathway2016 ERPathway2016_1384 Potassium dichloroisocyanurate 2244-21-5 DTXSID5026178 ER Pathway Model, Antagonist Call Inactive Unitless [K+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Potassium dichloroisocyanurate 2244-21-5|Potassium dichloroisocyanurate|1,3-Dichloro-s-triazine-2,4,6(1H,3H,5H)trione potassium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, potassium salt (1:1)|3,5-Dichlorotetrahydro-2,4,6-trioxo-s-triazin-1(2H)-yl potassium|Caswell No. 689|Dichloro-s-triazin-2,4,6(1H,3H,5H)-trione potassium deriv|Dichloro-s-triazine-2,4,6(1H,3H,5H)-trione potassium|Dichloroisocyanuric acid potassium salt|EINECS 218-828-8|EPA Pesticide Chemical Code 081403|Fluonon|Isocyanuric acid, dichloro-, potassium salt|Laitonon|Neochlor 59|NSC 251767|Potassium dichloro isocyanurate|Potassium dichloro-s-triazinetrione|Potassium dichloro-s-triazinetrione, dry|s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, potassium salt|s-Triazine-2,4,6(1H,3H,5H)-trione, dichloro-, potassium deriv|Troclosene potassique|Trocloseno potasico|UNII-8A85D111P0|14426-07-4|156620-80-3|174016-61-6|25727-26-8|57073-47-9|68462-52-2|73694-07-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026178 https://doi.org/10.22427/NTP-DATA-DTXSID5026178
ARPathway2016 ARPathway2016_1552 Potassium nitrate 7757-79-1 DTXSID4029692 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless [K+].[O-][N+]([O-])=O Potassium nitrate 7757-79-1|Potassium nitrate|231-818-8|Caswell No. 697|Collo-Bo|EC No.: 231-818-8|EINECS 231-818-8|Kalii nitras|Kaliumnitrat|KNO3|Niter|Nitrate de potassium|Nitrate of potash|nitrato de potasio|Nitre|Nitric acid potassium salt|Nitric acid potassium salt (1:1)|Nitric acid, potassium salt|NSC 57632|PC 076103|PC Code 076103|Potassium nitrate(DOT)|Salt peter|Saltpeter|saltpetre|UN 1486|UNII-RU45X2JN0Z|Vicknite|96193-83-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029692
ARPathway2016 ARPathway2016_1552 Potassium nitrate 7757-79-1 DTXSID4029692 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless [K+].[O-][N+]([O-])=O Potassium nitrate 7757-79-1|Potassium nitrate|231-818-8|Caswell No. 697|Collo-Bo|EC No.: 231-818-8|EINECS 231-818-8|Kalii nitras|Kaliumnitrat|KNO3|Niter|Nitrate de potassium|Nitrate of potash|nitrato de potasio|Nitre|Nitric acid potassium salt|Nitric acid potassium salt (1:1)|Nitric acid, potassium salt|NSC 57632|PC 076103|PC Code 076103|Potassium nitrate(DOT)|Salt peter|Saltpeter|saltpetre|UN 1486|UNII-RU45X2JN0Z|Vicknite|96193-83-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029692
ARPathway2016 ARPathway2016_1552 Potassium nitrate 7757-79-1 DTXSID4029692 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless [K+].[O-][N+]([O-])=O Potassium nitrate 7757-79-1|Potassium nitrate|231-818-8|Caswell No. 697|Collo-Bo|EC No.: 231-818-8|EINECS 231-818-8|Kalii nitras|Kaliumnitrat|KNO3|Niter|Nitrate de potassium|Nitrate of potash|nitrato de potasio|Nitre|Nitric acid potassium salt|Nitric acid potassium salt (1:1)|Nitric acid, potassium salt|NSC 57632|PC 076103|PC Code 076103|Potassium nitrate(DOT)|Salt peter|Saltpeter|saltpetre|UN 1486|UNII-RU45X2JN0Z|Vicknite|96193-83-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029692
ARPathway2016 ARPathway2016_1552 Potassium nitrate 7757-79-1 DTXSID4029692 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless [K+].[O-][N+]([O-])=O Potassium nitrate 7757-79-1|Potassium nitrate|231-818-8|Caswell No. 697|Collo-Bo|EC No.: 231-818-8|EINECS 231-818-8|Kalii nitras|Kaliumnitrat|KNO3|Niter|Nitrate de potassium|Nitrate of potash|nitrato de potasio|Nitre|Nitric acid potassium salt|Nitric acid potassium salt (1:1)|Nitric acid, potassium salt|NSC 57632|PC 076103|PC Code 076103|Potassium nitrate(DOT)|Salt peter|Saltpeter|saltpetre|UN 1486|UNII-RU45X2JN0Z|Vicknite|96193-83-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029692
ERPathway2016 ERPathway2016_1653 Potassium nitrate 7757-79-1 DTXSID4029692 ER Pathway Model, Agonist Model Score 0 Unitless [K+].[O-][N+]([O-])=O Potassium nitrate 7757-79-1|Potassium nitrate|231-818-8|Caswell No. 697|Collo-Bo|EC No.: 231-818-8|EINECS 231-818-8|Kalii nitras|Kaliumnitrat|KNO3|Niter|Nitrate de potassium|Nitrate of potash|nitrato de potasio|Nitre|Nitric acid potassium salt|Nitric acid potassium salt (1:1)|Nitric acid, potassium salt|NSC 57632|PC 076103|PC Code 076103|Potassium nitrate(DOT)|Salt peter|Saltpeter|saltpetre|UN 1486|UNII-RU45X2JN0Z|Vicknite|96193-83-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029692
ERPathway2016 ERPathway2016_1653 Potassium nitrate 7757-79-1 DTXSID4029692 ER Pathway Model, Antagonist Model Score 0 Unitless [K+].[O-][N+]([O-])=O Potassium nitrate 7757-79-1|Potassium nitrate|231-818-8|Caswell No. 697|Collo-Bo|EC No.: 231-818-8|EINECS 231-818-8|Kalii nitras|Kaliumnitrat|KNO3|Niter|Nitrate de potassium|Nitrate of potash|nitrato de potasio|Nitre|Nitric acid potassium salt|Nitric acid potassium salt (1:1)|Nitric acid, potassium salt|NSC 57632|PC 076103|PC Code 076103|Potassium nitrate(DOT)|Salt peter|Saltpeter|saltpetre|UN 1486|UNII-RU45X2JN0Z|Vicknite|96193-83-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029692
ERPathway2016 ERPathway2016_1653 Potassium nitrate 7757-79-1 DTXSID4029692 ER Pathway Model, Agonist Call Inactive Unitless [K+].[O-][N+]([O-])=O Potassium nitrate 7757-79-1|Potassium nitrate|231-818-8|Caswell No. 697|Collo-Bo|EC No.: 231-818-8|EINECS 231-818-8|Kalii nitras|Kaliumnitrat|KNO3|Niter|Nitrate de potassium|Nitrate of potash|nitrato de potasio|Nitre|Nitric acid potassium salt|Nitric acid potassium salt (1:1)|Nitric acid, potassium salt|NSC 57632|PC 076103|PC Code 076103|Potassium nitrate(DOT)|Salt peter|Saltpeter|saltpetre|UN 1486|UNII-RU45X2JN0Z|Vicknite|96193-83-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029692
ERPathway2016 ERPathway2016_1653 Potassium nitrate 7757-79-1 DTXSID4029692 ER Pathway Model, Antagonist Call Inactive Unitless [K+].[O-][N+]([O-])=O Potassium nitrate 7757-79-1|Potassium nitrate|231-818-8|Caswell No. 697|Collo-Bo|EC No.: 231-818-8|EINECS 231-818-8|Kalii nitras|Kaliumnitrat|KNO3|Niter|Nitrate de potassium|Nitrate of potash|nitrato de potasio|Nitre|Nitric acid potassium salt|Nitric acid potassium salt (1:1)|Nitric acid, potassium salt|NSC 57632|PC 076103|PC Code 076103|Potassium nitrate(DOT)|Salt peter|Saltpeter|saltpetre|UN 1486|UNII-RU45X2JN0Z|Vicknite|96193-83-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029692
ARPathway2016 ARPathway2016_1115 Potassium perfluorobutanesulfonate 29420-49-3 DTXSID3037707 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorobutanesulfonate 29420-49-3|Potassium perfluorobutanesulfonate|1-BUTANESULFONIC ACID, 1,1,2,2,3,3,4,4,4- NONFLUORO-, POTASSIUM SALT|1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt|1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt (1:1)|1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonic acid potassium salt|1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonate de potassium|1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid, potassium salt|1,1,2,2,3,3,4,4,4-nonafluorobutano-1-sulfonato de potasio|249-616-3|Bayowet C 4|Bayowet C 4TP-AC2001|Biowet C 4|BUTANE-1-SULFONATE, NONAFLUORO-, POTASSIUM|Chemguard 411|EC No.: 249-616-3|Eftop KFBS|EINECS 249-616-3|Flutel RM 65|IHT-FR 21|K-NONA|Kalium-1,1,2,2,3,3,4,4,4-nonafluorbutan-1-sulfonat|KPFBS|Megafac F 114|Megafac F 114P|Megafac F 144P|Megafac F 411|Nanofluorobutanesulfonic acid potassium salt|Nonafluoro-1-butanesulfonate potassium salt|Nonafluorobutanesulfonic acid potassium salt|Perfluorobutanesulfonic acid potassium salt|PFBS-K|potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonate|Potassium nonaf|2409599-01-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037707 https://doi.org/10.22427/NTP-DATA-DTXSID3037707
ARPathway2016 ARPathway2016_1115 Potassium perfluorobutanesulfonate 29420-49-3 DTXSID3037707 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorobutanesulfonate 29420-49-3|Potassium perfluorobutanesulfonate|1-BUTANESULFONIC ACID, 1,1,2,2,3,3,4,4,4- NONFLUORO-, POTASSIUM SALT|1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt|1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt (1:1)|1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonic acid potassium salt|1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonate de potassium|1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid, potassium salt|1,1,2,2,3,3,4,4,4-nonafluorobutano-1-sulfonato de potasio|249-616-3|Bayowet C 4|Bayowet C 4TP-AC2001|Biowet C 4|BUTANE-1-SULFONATE, NONAFLUORO-, POTASSIUM|Chemguard 411|EC No.: 249-616-3|Eftop KFBS|EINECS 249-616-3|Flutel RM 65|IHT-FR 21|K-NONA|Kalium-1,1,2,2,3,3,4,4,4-nonafluorbutan-1-sulfonat|KPFBS|Megafac F 114|Megafac F 114P|Megafac F 144P|Megafac F 411|Nanofluorobutanesulfonic acid potassium salt|Nonafluoro-1-butanesulfonate potassium salt|Nonafluorobutanesulfonic acid potassium salt|Perfluorobutanesulfonic acid potassium salt|PFBS-K|potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonate|Potassium nonaf|2409599-01-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037707 https://doi.org/10.22427/NTP-DATA-DTXSID3037707
ARPathway2016 ARPathway2016_1115 Potassium perfluorobutanesulfonate 29420-49-3 DTXSID3037707 0.0 AR Pathway Model, Agonist Call Inactive Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorobutanesulfonate 29420-49-3|Potassium perfluorobutanesulfonate|1-BUTANESULFONIC ACID, 1,1,2,2,3,3,4,4,4- NONFLUORO-, POTASSIUM SALT|1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt|1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt (1:1)|1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonic acid potassium salt|1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonate de potassium|1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid, potassium salt|1,1,2,2,3,3,4,4,4-nonafluorobutano-1-sulfonato de potasio|249-616-3|Bayowet C 4|Bayowet C 4TP-AC2001|Biowet C 4|BUTANE-1-SULFONATE, NONAFLUORO-, POTASSIUM|Chemguard 411|EC No.: 249-616-3|Eftop KFBS|EINECS 249-616-3|Flutel RM 65|IHT-FR 21|K-NONA|Kalium-1,1,2,2,3,3,4,4,4-nonafluorbutan-1-sulfonat|KPFBS|Megafac F 114|Megafac F 114P|Megafac F 144P|Megafac F 411|Nanofluorobutanesulfonic acid potassium salt|Nonafluoro-1-butanesulfonate potassium salt|Nonafluorobutanesulfonic acid potassium salt|Perfluorobutanesulfonic acid potassium salt|PFBS-K|potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonate|Potassium nonaf|2409599-01-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037707 https://doi.org/10.22427/NTP-DATA-DTXSID3037707
ARPathway2016 ARPathway2016_1115 Potassium perfluorobutanesulfonate 29420-49-3 DTXSID3037707 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorobutanesulfonate 29420-49-3|Potassium perfluorobutanesulfonate|1-BUTANESULFONIC ACID, 1,1,2,2,3,3,4,4,4- NONFLUORO-, POTASSIUM SALT|1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt|1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt (1:1)|1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonic acid potassium salt|1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonate de potassium|1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid, potassium salt|1,1,2,2,3,3,4,4,4-nonafluorobutano-1-sulfonato de potasio|249-616-3|Bayowet C 4|Bayowet C 4TP-AC2001|Biowet C 4|BUTANE-1-SULFONATE, NONAFLUORO-, POTASSIUM|Chemguard 411|EC No.: 249-616-3|Eftop KFBS|EINECS 249-616-3|Flutel RM 65|IHT-FR 21|K-NONA|Kalium-1,1,2,2,3,3,4,4,4-nonafluorbutan-1-sulfonat|KPFBS|Megafac F 114|Megafac F 114P|Megafac F 144P|Megafac F 411|Nanofluorobutanesulfonic acid potassium salt|Nonafluoro-1-butanesulfonate potassium salt|Nonafluorobutanesulfonic acid potassium salt|Perfluorobutanesulfonic acid potassium salt|PFBS-K|potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonate|Potassium nonaf|2409599-01-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037707 https://doi.org/10.22427/NTP-DATA-DTXSID3037707
ERPathway2016 ERPathway2016_1435 Potassium perfluorobutanesulfonate 29420-49-3 DTXSID3037707 ER Pathway Model, Agonist Model Score 0 Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorobutanesulfonate 29420-49-3|Potassium perfluorobutanesulfonate|1-BUTANESULFONIC ACID, 1,1,2,2,3,3,4,4,4- NONFLUORO-, POTASSIUM SALT|1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt|1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt (1:1)|1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonic acid potassium salt|1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonate de potassium|1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid, potassium salt|1,1,2,2,3,3,4,4,4-nonafluorobutano-1-sulfonato de potasio|249-616-3|Bayowet C 4|Bayowet C 4TP-AC2001|Biowet C 4|BUTANE-1-SULFONATE, NONAFLUORO-, POTASSIUM|Chemguard 411|EC No.: 249-616-3|Eftop KFBS|EINECS 249-616-3|Flutel RM 65|IHT-FR 21|K-NONA|Kalium-1,1,2,2,3,3,4,4,4-nonafluorbutan-1-sulfonat|KPFBS|Megafac F 114|Megafac F 114P|Megafac F 144P|Megafac F 411|Nanofluorobutanesulfonic acid potassium salt|Nonafluoro-1-butanesulfonate potassium salt|Nonafluorobutanesulfonic acid potassium salt|Perfluorobutanesulfonic acid potassium salt|PFBS-K|potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonate|Potassium nonaf|2409599-01-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037707 https://doi.org/10.22427/NTP-DATA-DTXSID3037707
ERPathway2016 ERPathway2016_1435 Potassium perfluorobutanesulfonate 29420-49-3 DTXSID3037707 ER Pathway Model, Antagonist Model Score 0 Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorobutanesulfonate 29420-49-3|Potassium perfluorobutanesulfonate|1-BUTANESULFONIC ACID, 1,1,2,2,3,3,4,4,4- NONFLUORO-, POTASSIUM SALT|1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt|1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt (1:1)|1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonic acid potassium salt|1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonate de potassium|1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid, potassium salt|1,1,2,2,3,3,4,4,4-nonafluorobutano-1-sulfonato de potasio|249-616-3|Bayowet C 4|Bayowet C 4TP-AC2001|Biowet C 4|BUTANE-1-SULFONATE, NONAFLUORO-, POTASSIUM|Chemguard 411|EC No.: 249-616-3|Eftop KFBS|EINECS 249-616-3|Flutel RM 65|IHT-FR 21|K-NONA|Kalium-1,1,2,2,3,3,4,4,4-nonafluorbutan-1-sulfonat|KPFBS|Megafac F 114|Megafac F 114P|Megafac F 144P|Megafac F 411|Nanofluorobutanesulfonic acid potassium salt|Nonafluoro-1-butanesulfonate potassium salt|Nonafluorobutanesulfonic acid potassium salt|Perfluorobutanesulfonic acid potassium salt|PFBS-K|potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonate|Potassium nonaf|2409599-01-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037707 https://doi.org/10.22427/NTP-DATA-DTXSID3037707
ERPathway2016 ERPathway2016_1435 Potassium perfluorobutanesulfonate 29420-49-3 DTXSID3037707 ER Pathway Model, Agonist Call Inactive Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorobutanesulfonate 29420-49-3|Potassium perfluorobutanesulfonate|1-BUTANESULFONIC ACID, 1,1,2,2,3,3,4,4,4- NONFLUORO-, POTASSIUM SALT|1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt|1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt (1:1)|1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonic acid potassium salt|1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonate de potassium|1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid, potassium salt|1,1,2,2,3,3,4,4,4-nonafluorobutano-1-sulfonato de potasio|249-616-3|Bayowet C 4|Bayowet C 4TP-AC2001|Biowet C 4|BUTANE-1-SULFONATE, NONAFLUORO-, POTASSIUM|Chemguard 411|EC No.: 249-616-3|Eftop KFBS|EINECS 249-616-3|Flutel RM 65|IHT-FR 21|K-NONA|Kalium-1,1,2,2,3,3,4,4,4-nonafluorbutan-1-sulfonat|KPFBS|Megafac F 114|Megafac F 114P|Megafac F 144P|Megafac F 411|Nanofluorobutanesulfonic acid potassium salt|Nonafluoro-1-butanesulfonate potassium salt|Nonafluorobutanesulfonic acid potassium salt|Perfluorobutanesulfonic acid potassium salt|PFBS-K|potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonate|Potassium nonaf|2409599-01-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037707 https://doi.org/10.22427/NTP-DATA-DTXSID3037707
ERPathway2016 ERPathway2016_1435 Potassium perfluorobutanesulfonate 29420-49-3 DTXSID3037707 ER Pathway Model, Antagonist Call Inactive Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorobutanesulfonate 29420-49-3|Potassium perfluorobutanesulfonate|1-BUTANESULFONIC ACID, 1,1,2,2,3,3,4,4,4- NONFLUORO-, POTASSIUM SALT|1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt|1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt (1:1)|1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonic acid potassium salt|1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonate de potassium|1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid, potassium salt|1,1,2,2,3,3,4,4,4-nonafluorobutano-1-sulfonato de potasio|249-616-3|Bayowet C 4|Bayowet C 4TP-AC2001|Biowet C 4|BUTANE-1-SULFONATE, NONAFLUORO-, POTASSIUM|Chemguard 411|EC No.: 249-616-3|Eftop KFBS|EINECS 249-616-3|Flutel RM 65|IHT-FR 21|K-NONA|Kalium-1,1,2,2,3,3,4,4,4-nonafluorbutan-1-sulfonat|KPFBS|Megafac F 114|Megafac F 114P|Megafac F 144P|Megafac F 411|Nanofluorobutanesulfonic acid potassium salt|Nonafluoro-1-butanesulfonate potassium salt|Nonafluorobutanesulfonic acid potassium salt|Perfluorobutanesulfonic acid potassium salt|PFBS-K|potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonate|Potassium nonaf|2409599-01-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037707 https://doi.org/10.22427/NTP-DATA-DTXSID3037707
ARPathway2016 ARPathway2016_1185 Potassium perfluorohexanesulfonate 3871-99-6 DTXSID3037709 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorohexanesulfonate 3871-99-6|Potassium perfluorohexanesulfonate|1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, potassium salt|1- Hexanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6- tridecafluoro- , potassium salt (1:1)|1-Hexanesulfonic acid, tridecafluoro-, potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonic acid potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid, potassium salt|EINECS 223-393-2|HEXANESULFONATE, 1,1,2,2,3,3,4,4,5,5,6,6,6- TRIDECAFLUORO-, POTASSIUM|K-PFHxS|Kaliumperfluorhexan-1-sulfonat|Perfluorohexane-1-sulfonate de potassium|perfluorohexanesulfonate, potassium salt|perfluorohexano-1-sulfonato de potasio|PFHS-K|PFHxS-K|PFHxS,potassium salt|Potassium (perfluorohexyl)sulfonate|potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate|Potassium perfluoro-1-hexanesulfonate|Potassium perfluorohexane sulfonate|potassium perfluorohexane-1-sulphonate|Potassium tridecafluorohexane-1-sulfonate|Tridecafluorohexanesulfonic acid potassium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037709 https://doi.org/10.22427/NTP-DATA-DTXSID3037709
ARPathway2016 ARPathway2016_1185 Potassium perfluorohexanesulfonate 3871-99-6 DTXSID3037709 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorohexanesulfonate 3871-99-6|Potassium perfluorohexanesulfonate|1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, potassium salt|1- Hexanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6- tridecafluoro- , potassium salt (1:1)|1-Hexanesulfonic acid, tridecafluoro-, potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonic acid potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid, potassium salt|EINECS 223-393-2|HEXANESULFONATE, 1,1,2,2,3,3,4,4,5,5,6,6,6- TRIDECAFLUORO-, POTASSIUM|K-PFHxS|Kaliumperfluorhexan-1-sulfonat|Perfluorohexane-1-sulfonate de potassium|perfluorohexanesulfonate, potassium salt|perfluorohexano-1-sulfonato de potasio|PFHS-K|PFHxS-K|PFHxS,potassium salt|Potassium (perfluorohexyl)sulfonate|potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate|Potassium perfluoro-1-hexanesulfonate|Potassium perfluorohexane sulfonate|potassium perfluorohexane-1-sulphonate|Potassium tridecafluorohexane-1-sulfonate|Tridecafluorohexanesulfonic acid potassium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037709 https://doi.org/10.22427/NTP-DATA-DTXSID3037709
ARPathway2016 ARPathway2016_1185 Potassium perfluorohexanesulfonate 3871-99-6 DTXSID3037709 0.0 AR Pathway Model, Agonist Call Inactive Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorohexanesulfonate 3871-99-6|Potassium perfluorohexanesulfonate|1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, potassium salt|1- Hexanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6- tridecafluoro- , potassium salt (1:1)|1-Hexanesulfonic acid, tridecafluoro-, potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonic acid potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid, potassium salt|EINECS 223-393-2|HEXANESULFONATE, 1,1,2,2,3,3,4,4,5,5,6,6,6- TRIDECAFLUORO-, POTASSIUM|K-PFHxS|Kaliumperfluorhexan-1-sulfonat|Perfluorohexane-1-sulfonate de potassium|perfluorohexanesulfonate, potassium salt|perfluorohexano-1-sulfonato de potasio|PFHS-K|PFHxS-K|PFHxS,potassium salt|Potassium (perfluorohexyl)sulfonate|potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate|Potassium perfluoro-1-hexanesulfonate|Potassium perfluorohexane sulfonate|potassium perfluorohexane-1-sulphonate|Potassium tridecafluorohexane-1-sulfonate|Tridecafluorohexanesulfonic acid potassium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037709 https://doi.org/10.22427/NTP-DATA-DTXSID3037709
ARPathway2016 ARPathway2016_1185 Potassium perfluorohexanesulfonate 3871-99-6 DTXSID3037709 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorohexanesulfonate 3871-99-6|Potassium perfluorohexanesulfonate|1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, potassium salt|1- Hexanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6- tridecafluoro- , potassium salt (1:1)|1-Hexanesulfonic acid, tridecafluoro-, potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonic acid potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid, potassium salt|EINECS 223-393-2|HEXANESULFONATE, 1,1,2,2,3,3,4,4,5,5,6,6,6- TRIDECAFLUORO-, POTASSIUM|K-PFHxS|Kaliumperfluorhexan-1-sulfonat|Perfluorohexane-1-sulfonate de potassium|perfluorohexanesulfonate, potassium salt|perfluorohexano-1-sulfonato de potasio|PFHS-K|PFHxS-K|PFHxS,potassium salt|Potassium (perfluorohexyl)sulfonate|potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate|Potassium perfluoro-1-hexanesulfonate|Potassium perfluorohexane sulfonate|potassium perfluorohexane-1-sulphonate|Potassium tridecafluorohexane-1-sulfonate|Tridecafluorohexanesulfonic acid potassium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037709 https://doi.org/10.22427/NTP-DATA-DTXSID3037709
ERPathway2016 ERPathway2016_1021 Potassium perfluorohexanesulfonate 3871-99-6 DTXSID3037709 ER Pathway Model, Agonist Model Score 0 Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorohexanesulfonate 3871-99-6|Potassium perfluorohexanesulfonate|1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, potassium salt|1- Hexanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6- tridecafluoro- , potassium salt (1:1)|1-Hexanesulfonic acid, tridecafluoro-, potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonic acid potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid, potassium salt|EINECS 223-393-2|HEXANESULFONATE, 1,1,2,2,3,3,4,4,5,5,6,6,6- TRIDECAFLUORO-, POTASSIUM|K-PFHxS|Kaliumperfluorhexan-1-sulfonat|Perfluorohexane-1-sulfonate de potassium|perfluorohexanesulfonate, potassium salt|perfluorohexano-1-sulfonato de potasio|PFHS-K|PFHxS-K|PFHxS,potassium salt|Potassium (perfluorohexyl)sulfonate|potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate|Potassium perfluoro-1-hexanesulfonate|Potassium perfluorohexane sulfonate|potassium perfluorohexane-1-sulphonate|Potassium tridecafluorohexane-1-sulfonate|Tridecafluorohexanesulfonic acid potassium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037709 https://doi.org/10.22427/NTP-DATA-DTXSID3037709
ERPathway2016 ERPathway2016_1021 Potassium perfluorohexanesulfonate 3871-99-6 DTXSID3037709 ER Pathway Model, Antagonist Model Score 0 Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorohexanesulfonate 3871-99-6|Potassium perfluorohexanesulfonate|1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, potassium salt|1- Hexanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6- tridecafluoro- , potassium salt (1:1)|1-Hexanesulfonic acid, tridecafluoro-, potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonic acid potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid, potassium salt|EINECS 223-393-2|HEXANESULFONATE, 1,1,2,2,3,3,4,4,5,5,6,6,6- TRIDECAFLUORO-, POTASSIUM|K-PFHxS|Kaliumperfluorhexan-1-sulfonat|Perfluorohexane-1-sulfonate de potassium|perfluorohexanesulfonate, potassium salt|perfluorohexano-1-sulfonato de potasio|PFHS-K|PFHxS-K|PFHxS,potassium salt|Potassium (perfluorohexyl)sulfonate|potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate|Potassium perfluoro-1-hexanesulfonate|Potassium perfluorohexane sulfonate|potassium perfluorohexane-1-sulphonate|Potassium tridecafluorohexane-1-sulfonate|Tridecafluorohexanesulfonic acid potassium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037709 https://doi.org/10.22427/NTP-DATA-DTXSID3037709
ERPathway2016 ERPathway2016_1021 Potassium perfluorohexanesulfonate 3871-99-6 DTXSID3037709 ER Pathway Model, Agonist Call Inactive Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorohexanesulfonate 3871-99-6|Potassium perfluorohexanesulfonate|1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, potassium salt|1- Hexanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6- tridecafluoro- , potassium salt (1:1)|1-Hexanesulfonic acid, tridecafluoro-, potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonic acid potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid, potassium salt|EINECS 223-393-2|HEXANESULFONATE, 1,1,2,2,3,3,4,4,5,5,6,6,6- TRIDECAFLUORO-, POTASSIUM|K-PFHxS|Kaliumperfluorhexan-1-sulfonat|Perfluorohexane-1-sulfonate de potassium|perfluorohexanesulfonate, potassium salt|perfluorohexano-1-sulfonato de potasio|PFHS-K|PFHxS-K|PFHxS,potassium salt|Potassium (perfluorohexyl)sulfonate|potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate|Potassium perfluoro-1-hexanesulfonate|Potassium perfluorohexane sulfonate|potassium perfluorohexane-1-sulphonate|Potassium tridecafluorohexane-1-sulfonate|Tridecafluorohexanesulfonic acid potassium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037709 https://doi.org/10.22427/NTP-DATA-DTXSID3037709
ERPathway2016 ERPathway2016_1021 Potassium perfluorohexanesulfonate 3871-99-6 DTXSID3037709 ER Pathway Model, Antagonist Call Inactive Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorohexanesulfonate 3871-99-6|Potassium perfluorohexanesulfonate|1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, potassium salt|1- Hexanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 6- tridecafluoro- , potassium salt (1:1)|1-Hexanesulfonic acid, tridecafluoro-, potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonic acid potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid, potassium salt|EINECS 223-393-2|HEXANESULFONATE, 1,1,2,2,3,3,4,4,5,5,6,6,6- TRIDECAFLUORO-, POTASSIUM|K-PFHxS|Kaliumperfluorhexan-1-sulfonat|Perfluorohexane-1-sulfonate de potassium|perfluorohexanesulfonate, potassium salt|perfluorohexano-1-sulfonato de potasio|PFHS-K|PFHxS-K|PFHxS,potassium salt|Potassium (perfluorohexyl)sulfonate|potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate|Potassium perfluoro-1-hexanesulfonate|Potassium perfluorohexane sulfonate|potassium perfluorohexane-1-sulphonate|Potassium tridecafluorohexane-1-sulfonate|Tridecafluorohexanesulfonic acid potassium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID3037709 https://doi.org/10.22427/NTP-DATA-DTXSID3037709
ARPathway2016 ARPathway2016_1096 Potassium perfluorooctanesulfonate 2795-39-3 DTXSID8037706 0.0 R3 AR Pathway Model, Antagonist Model Score 0 Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorooctanesulfonate 2795-39-3|Potassium perfluorooctanesulfonate|1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt|1- Octanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro- , potassium salt (1:1)|1-Octanesulfonic acid, heptadecafluoro-, potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid, potassium salt|Eftop EF 102|EINECS 220-527-1|Fluorad 95|Fluorad FC 95|Fluortensid FT 800|Heptadecafluorooctane-1-sulfonate de potassium|Heptadecafluorooctanesulfonic acid potassium salt|Heptadecafluorooctanesulfonic acid, potassium salt|heptadecafluorooctano-1-sulfonato de potasio|K-PFOS|Kaliumheptadecafluoroctan-1-sulfonat|Megafac F 110|Megafac F 116|NSC 18405|OCTANE-1-SULFONATE, 1,1,2,2,3,3,4,4,5,5,6,6, 7,7,8,8,8-HEPTADECAFLUORO-POTASSIUM|OCTANE-1-SULFONIC ACID, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-, POTASSIUM SALT|OCTYLSULFONATE, HEPTADECAFLUORO-, POTASSIUM|Perfluorooctanesulfonic acid potassium salt|Perfluorooctanesulfonic acid|111274-79-4|117925-64-1|1621005-32-0|2378519-40-3|59112-13-9|62010-27-9|69458-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037706
ARPathway2016 ARPathway2016_1096 Potassium perfluorooctanesulfonate 2795-39-3 DTXSID8037706 0.0 R3 AR Pathway Model, Agonist Model Score 0 Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorooctanesulfonate 2795-39-3|Potassium perfluorooctanesulfonate|1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt|1- Octanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro- , potassium salt (1:1)|1-Octanesulfonic acid, heptadecafluoro-, potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid, potassium salt|Eftop EF 102|EINECS 220-527-1|Fluorad 95|Fluorad FC 95|Fluortensid FT 800|Heptadecafluorooctane-1-sulfonate de potassium|Heptadecafluorooctanesulfonic acid potassium salt|Heptadecafluorooctanesulfonic acid, potassium salt|heptadecafluorooctano-1-sulfonato de potasio|K-PFOS|Kaliumheptadecafluoroctan-1-sulfonat|Megafac F 110|Megafac F 116|NSC 18405|OCTANE-1-SULFONATE, 1,1,2,2,3,3,4,4,5,5,6,6, 7,7,8,8,8-HEPTADECAFLUORO-POTASSIUM|OCTANE-1-SULFONIC ACID, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-, POTASSIUM SALT|OCTYLSULFONATE, HEPTADECAFLUORO-, POTASSIUM|Perfluorooctanesulfonic acid potassium salt|Perfluorooctanesulfonic acid|111274-79-4|117925-64-1|1621005-32-0|2378519-40-3|59112-13-9|62010-27-9|69458-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037706
ARPathway2016 ARPathway2016_1096 Potassium perfluorooctanesulfonate 2795-39-3 DTXSID8037706 0.0 R3 AR Pathway Model, Agonist Call Inactive Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorooctanesulfonate 2795-39-3|Potassium perfluorooctanesulfonate|1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt|1- Octanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro- , potassium salt (1:1)|1-Octanesulfonic acid, heptadecafluoro-, potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid, potassium salt|Eftop EF 102|EINECS 220-527-1|Fluorad 95|Fluorad FC 95|Fluortensid FT 800|Heptadecafluorooctane-1-sulfonate de potassium|Heptadecafluorooctanesulfonic acid potassium salt|Heptadecafluorooctanesulfonic acid, potassium salt|heptadecafluorooctano-1-sulfonato de potasio|K-PFOS|Kaliumheptadecafluoroctan-1-sulfonat|Megafac F 110|Megafac F 116|NSC 18405|OCTANE-1-SULFONATE, 1,1,2,2,3,3,4,4,5,5,6,6, 7,7,8,8,8-HEPTADECAFLUORO-POTASSIUM|OCTANE-1-SULFONIC ACID, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-, POTASSIUM SALT|OCTYLSULFONATE, HEPTADECAFLUORO-, POTASSIUM|Perfluorooctanesulfonic acid potassium salt|Perfluorooctanesulfonic acid|111274-79-4|117925-64-1|1621005-32-0|2378519-40-3|59112-13-9|62010-27-9|69458-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037706
ARPathway2016 ARPathway2016_1096 Potassium perfluorooctanesulfonate 2795-39-3 DTXSID8037706 0.0 R3 AR Pathway Model, Antagonist Call Inactive Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorooctanesulfonate 2795-39-3|Potassium perfluorooctanesulfonate|1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt|1- Octanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro- , potassium salt (1:1)|1-Octanesulfonic acid, heptadecafluoro-, potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid, potassium salt|Eftop EF 102|EINECS 220-527-1|Fluorad 95|Fluorad FC 95|Fluortensid FT 800|Heptadecafluorooctane-1-sulfonate de potassium|Heptadecafluorooctanesulfonic acid potassium salt|Heptadecafluorooctanesulfonic acid, potassium salt|heptadecafluorooctano-1-sulfonato de potasio|K-PFOS|Kaliumheptadecafluoroctan-1-sulfonat|Megafac F 110|Megafac F 116|NSC 18405|OCTANE-1-SULFONATE, 1,1,2,2,3,3,4,4,5,5,6,6, 7,7,8,8,8-HEPTADECAFLUORO-POTASSIUM|OCTANE-1-SULFONIC ACID, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-, POTASSIUM SALT|OCTYLSULFONATE, HEPTADECAFLUORO-, POTASSIUM|Perfluorooctanesulfonic acid potassium salt|Perfluorooctanesulfonic acid|111274-79-4|117925-64-1|1621005-32-0|2378519-40-3|59112-13-9|62010-27-9|69458-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037706
ERPathway2016 ERPathway2016_845 Potassium perfluorooctanesulfonate 2795-39-3 DTXSID8037706 ER Pathway Model, Agonist Model Score 0 Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorooctanesulfonate 2795-39-3|Potassium perfluorooctanesulfonate|1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt|1- Octanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro- , potassium salt (1:1)|1-Octanesulfonic acid, heptadecafluoro-, potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid, potassium salt|Eftop EF 102|EINECS 220-527-1|Fluorad 95|Fluorad FC 95|Fluortensid FT 800|Heptadecafluorooctane-1-sulfonate de potassium|Heptadecafluorooctanesulfonic acid potassium salt|Heptadecafluorooctanesulfonic acid, potassium salt|heptadecafluorooctano-1-sulfonato de potasio|K-PFOS|Kaliumheptadecafluoroctan-1-sulfonat|Megafac F 110|Megafac F 116|NSC 18405|OCTANE-1-SULFONATE, 1,1,2,2,3,3,4,4,5,5,6,6, 7,7,8,8,8-HEPTADECAFLUORO-POTASSIUM|OCTANE-1-SULFONIC ACID, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-, POTASSIUM SALT|OCTYLSULFONATE, HEPTADECAFLUORO-, POTASSIUM|Perfluorooctanesulfonic acid potassium salt|Perfluorooctanesulfonic acid|111274-79-4|117925-64-1|1621005-32-0|2378519-40-3|59112-13-9|62010-27-9|69458-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037706
ERPathway2016 ERPathway2016_845 Potassium perfluorooctanesulfonate 2795-39-3 DTXSID8037706 ER Pathway Model, Antagonist Model Score 0 Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorooctanesulfonate 2795-39-3|Potassium perfluorooctanesulfonate|1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt|1- Octanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro- , potassium salt (1:1)|1-Octanesulfonic acid, heptadecafluoro-, potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid, potassium salt|Eftop EF 102|EINECS 220-527-1|Fluorad 95|Fluorad FC 95|Fluortensid FT 800|Heptadecafluorooctane-1-sulfonate de potassium|Heptadecafluorooctanesulfonic acid potassium salt|Heptadecafluorooctanesulfonic acid, potassium salt|heptadecafluorooctano-1-sulfonato de potasio|K-PFOS|Kaliumheptadecafluoroctan-1-sulfonat|Megafac F 110|Megafac F 116|NSC 18405|OCTANE-1-SULFONATE, 1,1,2,2,3,3,4,4,5,5,6,6, 7,7,8,8,8-HEPTADECAFLUORO-POTASSIUM|OCTANE-1-SULFONIC ACID, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-, POTASSIUM SALT|OCTYLSULFONATE, HEPTADECAFLUORO-, POTASSIUM|Perfluorooctanesulfonic acid potassium salt|Perfluorooctanesulfonic acid|111274-79-4|117925-64-1|1621005-32-0|2378519-40-3|59112-13-9|62010-27-9|69458-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037706
ERPathway2016 ERPathway2016_845 Potassium perfluorooctanesulfonate 2795-39-3 DTXSID8037706 ER Pathway Model, Agonist Call Inactive Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorooctanesulfonate 2795-39-3|Potassium perfluorooctanesulfonate|1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt|1- Octanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro- , potassium salt (1:1)|1-Octanesulfonic acid, heptadecafluoro-, potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid, potassium salt|Eftop EF 102|EINECS 220-527-1|Fluorad 95|Fluorad FC 95|Fluortensid FT 800|Heptadecafluorooctane-1-sulfonate de potassium|Heptadecafluorooctanesulfonic acid potassium salt|Heptadecafluorooctanesulfonic acid, potassium salt|heptadecafluorooctano-1-sulfonato de potasio|K-PFOS|Kaliumheptadecafluoroctan-1-sulfonat|Megafac F 110|Megafac F 116|NSC 18405|OCTANE-1-SULFONATE, 1,1,2,2,3,3,4,4,5,5,6,6, 7,7,8,8,8-HEPTADECAFLUORO-POTASSIUM|OCTANE-1-SULFONIC ACID, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-, POTASSIUM SALT|OCTYLSULFONATE, HEPTADECAFLUORO-, POTASSIUM|Perfluorooctanesulfonic acid potassium salt|Perfluorooctanesulfonic acid|111274-79-4|117925-64-1|1621005-32-0|2378519-40-3|59112-13-9|62010-27-9|69458-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037706
ERPathway2016 ERPathway2016_845 Potassium perfluorooctanesulfonate 2795-39-3 DTXSID8037706 ER Pathway Model, Antagonist Call Inactive Unitless [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F Potassium perfluorooctanesulfonate 2795-39-3|Potassium perfluorooctanesulfonate|1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt|1- Octanesulfonic acid, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8- heptadecafluoro- , potassium salt (1:1)|1-Octanesulfonic acid, heptadecafluoro-, potassium salt|1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid, potassium salt|Eftop EF 102|EINECS 220-527-1|Fluorad 95|Fluorad FC 95|Fluortensid FT 800|Heptadecafluorooctane-1-sulfonate de potassium|Heptadecafluorooctanesulfonic acid potassium salt|Heptadecafluorooctanesulfonic acid, potassium salt|heptadecafluorooctano-1-sulfonato de potasio|K-PFOS|Kaliumheptadecafluoroctan-1-sulfonat|Megafac F 110|Megafac F 116|NSC 18405|OCTANE-1-SULFONATE, 1,1,2,2,3,3,4,4,5,5,6,6, 7,7,8,8,8-HEPTADECAFLUORO-POTASSIUM|OCTANE-1-SULFONIC ACID, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-, POTASSIUM SALT|OCTYLSULFONATE, HEPTADECAFLUORO-, POTASSIUM|Perfluorooctanesulfonic acid potassium salt|Perfluorooctanesulfonic acid|111274-79-4|117925-64-1|1621005-32-0|2378519-40-3|59112-13-9|62010-27-9|69458-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037706
ARPathway2016 ARPathway2016_115 Prallethrin 23031-36-9 DTXSID0032572 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 42.73665499 uM CC(C)=CC1C(C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C Prallethrin 23031-36-9|Prallethrin|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopent-2-enyl (1R)-cis,trans-chrysanthemate|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl (1R)-cis,trans-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(2-propinyl)-2-cyclopentene-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)-1-cyclopropane carboxylate|2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(prop-2-inyl)cyclopent-2-en-1-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-ene-1-yle|2,2-dimetil-3-(2-metilprop-1-enil)ciclopropancarboxilato de 2-metil-4-oxo-3-(prop-2-inil)ciclopent-2-en-1-ilo|Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl ester|Cyclopropanecarbox|23031-13-2|24909-53-3|24909-64-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032572
ARPathway2016 ARPathway2016_115 Prallethrin 23031-36-9 DTXSID0032572 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 39.88409076 uM CC(C)=CC1C(C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C Prallethrin 23031-36-9|Prallethrin|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopent-2-enyl (1R)-cis,trans-chrysanthemate|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl (1R)-cis,trans-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(2-propinyl)-2-cyclopentene-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)-1-cyclopropane carboxylate|2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(prop-2-inyl)cyclopent-2-en-1-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-ene-1-yle|2,2-dimetil-3-(2-metilprop-1-enil)ciclopropancarboxilato de 2-metil-4-oxo-3-(prop-2-inil)ciclopent-2-en-1-ilo|Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl ester|Cyclopropanecarbox|23031-13-2|24909-53-3|24909-64-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032572
ARPathway2016 ARPathway2016_115 Prallethrin 23031-36-9 DTXSID0032572 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.169 Unitless CC(C)=CC1C(C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C Prallethrin 23031-36-9|Prallethrin|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopent-2-enyl (1R)-cis,trans-chrysanthemate|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl (1R)-cis,trans-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(2-propinyl)-2-cyclopentene-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)-1-cyclopropane carboxylate|2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(prop-2-inyl)cyclopent-2-en-1-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-ene-1-yle|2,2-dimetil-3-(2-metilprop-1-enil)ciclopropancarboxilato de 2-metil-4-oxo-3-(prop-2-inil)ciclopent-2-en-1-ilo|Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl ester|Cyclopropanecarbox|23031-13-2|24909-53-3|24909-64-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032572
ARPathway2016 ARPathway2016_115 Prallethrin 23031-36-9 DTXSID0032572 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=CC1C(C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C Prallethrin 23031-36-9|Prallethrin|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopent-2-enyl (1R)-cis,trans-chrysanthemate|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl (1R)-cis,trans-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(2-propinyl)-2-cyclopentene-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)-1-cyclopropane carboxylate|2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(prop-2-inyl)cyclopent-2-en-1-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-ene-1-yle|2,2-dimetil-3-(2-metilprop-1-enil)ciclopropancarboxilato de 2-metil-4-oxo-3-(prop-2-inil)ciclopent-2-en-1-ilo|Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl ester|Cyclopropanecarbox|23031-13-2|24909-53-3|24909-64-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032572
ARPathway2016 ARPathway2016_115 Prallethrin 23031-36-9 DTXSID0032572 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)=CC1C(C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C Prallethrin 23031-36-9|Prallethrin|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopent-2-enyl (1R)-cis,trans-chrysanthemate|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl (1R)-cis,trans-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(2-propinyl)-2-cyclopentene-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)-1-cyclopropane carboxylate|2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(prop-2-inyl)cyclopent-2-en-1-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-ene-1-yle|2,2-dimetil-3-(2-metilprop-1-enil)ciclopropancarboxilato de 2-metil-4-oxo-3-(prop-2-inil)ciclopent-2-en-1-ilo|Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl ester|Cyclopropanecarbox|23031-13-2|24909-53-3|24909-64-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032572
ARPathway2016 ARPathway2016_115 Prallethrin 23031-36-9 DTXSID0032572 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=CC1C(C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C Prallethrin 23031-36-9|Prallethrin|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopent-2-enyl (1R)-cis,trans-chrysanthemate|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl (1R)-cis,trans-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(2-propinyl)-2-cyclopentene-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)-1-cyclopropane carboxylate|2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(prop-2-inyl)cyclopent-2-en-1-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-ene-1-yle|2,2-dimetil-3-(2-metilprop-1-enil)ciclopropancarboxilato de 2-metil-4-oxo-3-(prop-2-inil)ciclopent-2-en-1-ilo|Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl ester|Cyclopropanecarbox|23031-13-2|24909-53-3|24909-64-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032572
ERPathway2016 ERPathway2016_595 Prallethrin 23031-36-9 DTXSID0032572 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)=CC1C(C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C Prallethrin 23031-36-9|Prallethrin|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopent-2-enyl (1R)-cis,trans-chrysanthemate|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl (1R)-cis,trans-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(2-propinyl)-2-cyclopentene-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)-1-cyclopropane carboxylate|2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(prop-2-inyl)cyclopent-2-en-1-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-ene-1-yle|2,2-dimetil-3-(2-metilprop-1-enil)ciclopropancarboxilato de 2-metil-4-oxo-3-(prop-2-inil)ciclopent-2-en-1-ilo|Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl ester|Cyclopropanecarbox|23031-13-2|24909-53-3|24909-64-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032572
ERPathway2016 ERPathway2016_595 Prallethrin 23031-36-9 DTXSID0032572 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CC1C(C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C Prallethrin 23031-36-9|Prallethrin|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopent-2-enyl (1R)-cis,trans-chrysanthemate|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl (1R)-cis,trans-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(2-propinyl)-2-cyclopentene-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)-1-cyclopropane carboxylate|2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(prop-2-inyl)cyclopent-2-en-1-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-ene-1-yle|2,2-dimetil-3-(2-metilprop-1-enil)ciclopropancarboxilato de 2-metil-4-oxo-3-(prop-2-inil)ciclopent-2-en-1-ilo|Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl ester|Cyclopropanecarbox|23031-13-2|24909-53-3|24909-64-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032572
ERPathway2016 ERPathway2016_595 Prallethrin 23031-36-9 DTXSID0032572 ER Pathway Model, Agonist Call Inactive Unitless CC(C)=CC1C(C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C Prallethrin 23031-36-9|Prallethrin|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopent-2-enyl (1R)-cis,trans-chrysanthemate|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl (1R)-cis,trans-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(2-propinyl)-2-cyclopentene-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)-1-cyclopropane carboxylate|2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(prop-2-inyl)cyclopent-2-en-1-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-ene-1-yle|2,2-dimetil-3-(2-metilprop-1-enil)ciclopropancarboxilato de 2-metil-4-oxo-3-(prop-2-inil)ciclopent-2-en-1-ilo|Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl ester|Cyclopropanecarbox|23031-13-2|24909-53-3|24909-64-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032572
ERPathway2016 ERPathway2016_595 Prallethrin 23031-36-9 DTXSID0032572 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)=CC1C(C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C Prallethrin 23031-36-9|Prallethrin|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopent-2-enyl (1R)-cis,trans-chrysanthemate|(S)-2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl (1R)-cis,trans-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(2-propinyl)-2-cyclopentene-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)-1-cyclopropane carboxylate|2-Methyl-4-oxo-3-(2-propynyl)-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|2-Methyl-4-oxo-3-(prop-2-inyl)cyclopent-2-en-1-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 2-methyl-4-oxo-3-(prop-2-ynyl)cyclopent-2-ene-1-yle|2,2-dimetil-3-(2-metilprop-1-enil)ciclopropancarboxilato de 2-metil-4-oxo-3-(prop-2-inil)ciclopent-2-en-1-ilo|Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl ester|Cyclopropanecarbox|23031-13-2|24909-53-3|24909-64-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032572
ARPathway2016 ARPathway2016_1610 Pravastatin sodium 81131-70-6 DTXSID6047525 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12 Pravastatin sodium 81131-70-6|Pravastatin sodium|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, monosodium salt, [1S-[1a(bS*,dS*),2a,6a,8b(R*),8aa]]-|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, monosodium salt, (bR,dR,1S,2S,6S,8S,8aR)-|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, sodium salt (1:1), (bR,dR,1S,2S,6S,8S,8aR)-|3-beta-Hydroxycompactin sodium salt|3beta-Hydroxycompactin sodium salt|Aplactin|Bristacol|CS 514|Epastatin sodium|Lipemol|Lipidal|Lipostat|Liprevil|Mevalotin|Pralidon|Prareduct|Pravachol|Pravacol|Pravaselect|Pravasin|Pravasine|Pravastatin Natrium Mayrho Fer|Sanaprav|Selektine|Selipran|SQ 31000|UNII-3M8608UQ61|115873-26-2|81131-73-9|85956-24-7|87098-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047525
ARPathway2016 ARPathway2016_1610 Pravastatin sodium 81131-70-6 DTXSID6047525 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12 Pravastatin sodium 81131-70-6|Pravastatin sodium|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, monosodium salt, [1S-[1a(bS*,dS*),2a,6a,8b(R*),8aa]]-|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, monosodium salt, (bR,dR,1S,2S,6S,8S,8aR)-|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, sodium salt (1:1), (bR,dR,1S,2S,6S,8S,8aR)-|3-beta-Hydroxycompactin sodium salt|3beta-Hydroxycompactin sodium salt|Aplactin|Bristacol|CS 514|Epastatin sodium|Lipemol|Lipidal|Lipostat|Liprevil|Mevalotin|Pralidon|Prareduct|Pravachol|Pravacol|Pravaselect|Pravasin|Pravasine|Pravastatin Natrium Mayrho Fer|Sanaprav|Selektine|Selipran|SQ 31000|UNII-3M8608UQ61|115873-26-2|81131-73-9|85956-24-7|87098-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047525
ARPathway2016 ARPathway2016_1610 Pravastatin sodium 81131-70-6 DTXSID6047525 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12 Pravastatin sodium 81131-70-6|Pravastatin sodium|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, monosodium salt, [1S-[1a(bS*,dS*),2a,6a,8b(R*),8aa]]-|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, monosodium salt, (bR,dR,1S,2S,6S,8S,8aR)-|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, sodium salt (1:1), (bR,dR,1S,2S,6S,8S,8aR)-|3-beta-Hydroxycompactin sodium salt|3beta-Hydroxycompactin sodium salt|Aplactin|Bristacol|CS 514|Epastatin sodium|Lipemol|Lipidal|Lipostat|Liprevil|Mevalotin|Pralidon|Prareduct|Pravachol|Pravacol|Pravaselect|Pravasin|Pravasine|Pravastatin Natrium Mayrho Fer|Sanaprav|Selektine|Selipran|SQ 31000|UNII-3M8608UQ61|115873-26-2|81131-73-9|85956-24-7|87098-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047525
ARPathway2016 ARPathway2016_1610 Pravastatin sodium 81131-70-6 DTXSID6047525 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12 Pravastatin sodium 81131-70-6|Pravastatin sodium|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, monosodium salt, [1S-[1a(bS*,dS*),2a,6a,8b(R*),8aa]]-|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, monosodium salt, (bR,dR,1S,2S,6S,8S,8aR)-|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, sodium salt (1:1), (bR,dR,1S,2S,6S,8S,8aR)-|3-beta-Hydroxycompactin sodium salt|3beta-Hydroxycompactin sodium salt|Aplactin|Bristacol|CS 514|Epastatin sodium|Lipemol|Lipidal|Lipostat|Liprevil|Mevalotin|Pralidon|Prareduct|Pravachol|Pravacol|Pravaselect|Pravasin|Pravasine|Pravastatin Natrium Mayrho Fer|Sanaprav|Selektine|Selipran|SQ 31000|UNII-3M8608UQ61|115873-26-2|81131-73-9|85956-24-7|87098-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047525
ERPathway2016 ERPathway2016_1684 Pravastatin sodium 81131-70-6 DTXSID6047525 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12 Pravastatin sodium 81131-70-6|Pravastatin sodium|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, monosodium salt, [1S-[1a(bS*,dS*),2a,6a,8b(R*),8aa]]-|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, monosodium salt, (bR,dR,1S,2S,6S,8S,8aR)-|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, sodium salt (1:1), (bR,dR,1S,2S,6S,8S,8aR)-|3-beta-Hydroxycompactin sodium salt|3beta-Hydroxycompactin sodium salt|Aplactin|Bristacol|CS 514|Epastatin sodium|Lipemol|Lipidal|Lipostat|Liprevil|Mevalotin|Pralidon|Prareduct|Pravachol|Pravacol|Pravaselect|Pravasin|Pravasine|Pravastatin Natrium Mayrho Fer|Sanaprav|Selektine|Selipran|SQ 31000|UNII-3M8608UQ61|115873-26-2|81131-73-9|85956-24-7|87098-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047525
ERPathway2016 ERPathway2016_1684 Pravastatin sodium 81131-70-6 DTXSID6047525 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12 Pravastatin sodium 81131-70-6|Pravastatin sodium|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, monosodium salt, [1S-[1a(bS*,dS*),2a,6a,8b(R*),8aa]]-|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, monosodium salt, (bR,dR,1S,2S,6S,8S,8aR)-|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, sodium salt (1:1), (bR,dR,1S,2S,6S,8S,8aR)-|3-beta-Hydroxycompactin sodium salt|3beta-Hydroxycompactin sodium salt|Aplactin|Bristacol|CS 514|Epastatin sodium|Lipemol|Lipidal|Lipostat|Liprevil|Mevalotin|Pralidon|Prareduct|Pravachol|Pravacol|Pravaselect|Pravasin|Pravasine|Pravastatin Natrium Mayrho Fer|Sanaprav|Selektine|Selipran|SQ 31000|UNII-3M8608UQ61|115873-26-2|81131-73-9|85956-24-7|87098-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047525
ERPathway2016 ERPathway2016_1684 Pravastatin sodium 81131-70-6 DTXSID6047525 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12 Pravastatin sodium 81131-70-6|Pravastatin sodium|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, monosodium salt, [1S-[1a(bS*,dS*),2a,6a,8b(R*),8aa]]-|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, monosodium salt, (bR,dR,1S,2S,6S,8S,8aR)-|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, sodium salt (1:1), (bR,dR,1S,2S,6S,8S,8aR)-|3-beta-Hydroxycompactin sodium salt|3beta-Hydroxycompactin sodium salt|Aplactin|Bristacol|CS 514|Epastatin sodium|Lipemol|Lipidal|Lipostat|Liprevil|Mevalotin|Pralidon|Prareduct|Pravachol|Pravacol|Pravaselect|Pravasin|Pravasine|Pravastatin Natrium Mayrho Fer|Sanaprav|Selektine|Selipran|SQ 31000|UNII-3M8608UQ61|115873-26-2|81131-73-9|85956-24-7|87098-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047525
ERPathway2016 ERPathway2016_1684 Pravastatin sodium 81131-70-6 DTXSID6047525 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12 Pravastatin sodium 81131-70-6|Pravastatin sodium|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, monosodium salt, [1S-[1a(bS*,dS*),2a,6a,8b(R*),8aa]]-|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, monosodium salt, (bR,dR,1S,2S,6S,8S,8aR)-|1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, sodium salt (1:1), (bR,dR,1S,2S,6S,8S,8aR)-|3-beta-Hydroxycompactin sodium salt|3beta-Hydroxycompactin sodium salt|Aplactin|Bristacol|CS 514|Epastatin sodium|Lipemol|Lipidal|Lipostat|Liprevil|Mevalotin|Pralidon|Prareduct|Pravachol|Pravacol|Pravaselect|Pravasin|Pravasine|Pravastatin Natrium Mayrho Fer|Sanaprav|Selektine|Selipran|SQ 31000|UNII-3M8608UQ61|115873-26-2|81131-73-9|85956-24-7|87098-76-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047525
ARPathway2016 ARPathway2016_369 Prednisone 53-03-2 DTXSID4021185 1.0 Agonist AR Pathway Model, Antagonist ACC 1.18549049028405 uM C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Prednisone 53-03-2|Prednisone|1-Dehydrocortisone|1,2-Dehydrocortisone|1,4-Pregnadiene-17-alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17a,21-diol-3,11,20-trione|17,21-Dihydroxypregn-1,4-diene-3,11,20-trione|17,21-Dihydroxypregna-1,4-diene-3,11,20-trione|17a,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione|17a,21-Dihydroxypregna-1,4-diene-3,11,20-trione|Adasone|Ancortone|Apo-Prednisone|Bicortone|Cartancyl|Colisone|Cordrol|Cortidelt|Dacorten|Dacortin|Decortancyl|Decortisyl|Dehydrocortisone|Dekortin|Delcortin|Dellacort|Dellacort A|delta cortelan|Delta E|delta-1-Cortisone|delta-1-Dehydrocortisone|Delta-Cortelan|delta-Cortisone|Delta-Dome|delta(sup 1)-Cortisone|delta(sup 1)-Dehydrocortisone|Deltacortene|Deltacortisone|Deltacortone|Deltasone|Deltison|Deltisona|Deltisone|Di-Adreson|DiAdreson|Drazone|Econosone|EINECS 200-160-3|Encorton|Encortone|Enkorton|Fernisone|Fiasone|Hostacortin|IN-Sone|Incocortyl|Juvason|Liquid Pred|Lisacort|Lodotra|Me-Korti|Metacortandracin|Meticorten|NCI-C04897|Novoprednisone|N|68-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021185 https://doi.org/10.22427/NTP-DATA-DTXSID4021185
ARPathway2016 ARPathway2016_369 Prednisone 53-03-2 DTXSID4021185 1.0 Agonist AR Pathway Model, Antagonist AC50 5.52605265102424 uM C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Prednisone 53-03-2|Prednisone|1-Dehydrocortisone|1,2-Dehydrocortisone|1,4-Pregnadiene-17-alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17a,21-diol-3,11,20-trione|17,21-Dihydroxypregn-1,4-diene-3,11,20-trione|17,21-Dihydroxypregna-1,4-diene-3,11,20-trione|17a,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione|17a,21-Dihydroxypregna-1,4-diene-3,11,20-trione|Adasone|Ancortone|Apo-Prednisone|Bicortone|Cartancyl|Colisone|Cordrol|Cortidelt|Dacorten|Dacortin|Decortancyl|Decortisyl|Dehydrocortisone|Dekortin|Delcortin|Dellacort|Dellacort A|delta cortelan|Delta E|delta-1-Cortisone|delta-1-Dehydrocortisone|Delta-Cortelan|delta-Cortisone|Delta-Dome|delta(sup 1)-Cortisone|delta(sup 1)-Dehydrocortisone|Deltacortene|Deltacortisone|Deltacortone|Deltasone|Deltison|Deltisona|Deltisone|Di-Adreson|DiAdreson|Drazone|Econosone|EINECS 200-160-3|Encorton|Encortone|Enkorton|Fernisone|Fiasone|Hostacortin|IN-Sone|Incocortyl|Juvason|Liquid Pred|Lisacort|Lodotra|Me-Korti|Metacortandracin|Meticorten|NCI-C04897|Novoprednisone|N|68-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021185 https://doi.org/10.22427/NTP-DATA-DTXSID4021185
ARPathway2016 ARPathway2016_369 Prednisone 53-03-2 DTXSID4021185 1.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Prednisone 53-03-2|Prednisone|1-Dehydrocortisone|1,2-Dehydrocortisone|1,4-Pregnadiene-17-alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17a,21-diol-3,11,20-trione|17,21-Dihydroxypregn-1,4-diene-3,11,20-trione|17,21-Dihydroxypregna-1,4-diene-3,11,20-trione|17a,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione|17a,21-Dihydroxypregna-1,4-diene-3,11,20-trione|Adasone|Ancortone|Apo-Prednisone|Bicortone|Cartancyl|Colisone|Cordrol|Cortidelt|Dacorten|Dacortin|Decortancyl|Decortisyl|Dehydrocortisone|Dekortin|Delcortin|Dellacort|Dellacort A|delta cortelan|Delta E|delta-1-Cortisone|delta-1-Dehydrocortisone|Delta-Cortelan|delta-Cortisone|Delta-Dome|delta(sup 1)-Cortisone|delta(sup 1)-Dehydrocortisone|Deltacortene|Deltacortisone|Deltacortone|Deltasone|Deltison|Deltisona|Deltisone|Di-Adreson|DiAdreson|Drazone|Econosone|EINECS 200-160-3|Encorton|Encortone|Enkorton|Fernisone|Fiasone|Hostacortin|IN-Sone|Incocortyl|Juvason|Liquid Pred|Lisacort|Lodotra|Me-Korti|Metacortandracin|Meticorten|NCI-C04897|Novoprednisone|N|68-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021185 https://doi.org/10.22427/NTP-DATA-DTXSID4021185
ARPathway2016 ARPathway2016_369 Prednisone 53-03-2 DTXSID4021185 1.0 Agonist AR Pathway Model, Agonist Model Score 0.328 Unitless C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Prednisone 53-03-2|Prednisone|1-Dehydrocortisone|1,2-Dehydrocortisone|1,4-Pregnadiene-17-alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17a,21-diol-3,11,20-trione|17,21-Dihydroxypregn-1,4-diene-3,11,20-trione|17,21-Dihydroxypregna-1,4-diene-3,11,20-trione|17a,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione|17a,21-Dihydroxypregna-1,4-diene-3,11,20-trione|Adasone|Ancortone|Apo-Prednisone|Bicortone|Cartancyl|Colisone|Cordrol|Cortidelt|Dacorten|Dacortin|Decortancyl|Decortisyl|Dehydrocortisone|Dekortin|Delcortin|Dellacort|Dellacort A|delta cortelan|Delta E|delta-1-Cortisone|delta-1-Dehydrocortisone|Delta-Cortelan|delta-Cortisone|Delta-Dome|delta(sup 1)-Cortisone|delta(sup 1)-Dehydrocortisone|Deltacortene|Deltacortisone|Deltacortone|Deltasone|Deltison|Deltisona|Deltisone|Di-Adreson|DiAdreson|Drazone|Econosone|EINECS 200-160-3|Encorton|Encortone|Enkorton|Fernisone|Fiasone|Hostacortin|IN-Sone|Incocortyl|Juvason|Liquid Pred|Lisacort|Lodotra|Me-Korti|Metacortandracin|Meticorten|NCI-C04897|Novoprednisone|N|68-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021185 https://doi.org/10.22427/NTP-DATA-DTXSID4021185
ARPathway2016 ARPathway2016_369 Prednisone 53-03-2 DTXSID4021185 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Prednisone 53-03-2|Prednisone|1-Dehydrocortisone|1,2-Dehydrocortisone|1,4-Pregnadiene-17-alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17a,21-diol-3,11,20-trione|17,21-Dihydroxypregn-1,4-diene-3,11,20-trione|17,21-Dihydroxypregna-1,4-diene-3,11,20-trione|17a,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione|17a,21-Dihydroxypregna-1,4-diene-3,11,20-trione|Adasone|Ancortone|Apo-Prednisone|Bicortone|Cartancyl|Colisone|Cordrol|Cortidelt|Dacorten|Dacortin|Decortancyl|Decortisyl|Dehydrocortisone|Dekortin|Delcortin|Dellacort|Dellacort A|delta cortelan|Delta E|delta-1-Cortisone|delta-1-Dehydrocortisone|Delta-Cortelan|delta-Cortisone|Delta-Dome|delta(sup 1)-Cortisone|delta(sup 1)-Dehydrocortisone|Deltacortene|Deltacortisone|Deltacortone|Deltasone|Deltison|Deltisona|Deltisone|Di-Adreson|DiAdreson|Drazone|Econosone|EINECS 200-160-3|Encorton|Encortone|Enkorton|Fernisone|Fiasone|Hostacortin|IN-Sone|Incocortyl|Juvason|Liquid Pred|Lisacort|Lodotra|Me-Korti|Metacortandracin|Meticorten|NCI-C04897|Novoprednisone|N|68-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021185 https://doi.org/10.22427/NTP-DATA-DTXSID4021185
ARPathway2016 ARPathway2016_369 Prednisone 53-03-2 DTXSID4021185 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Prednisone 53-03-2|Prednisone|1-Dehydrocortisone|1,2-Dehydrocortisone|1,4-Pregnadiene-17-alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17a,21-diol-3,11,20-trione|17,21-Dihydroxypregn-1,4-diene-3,11,20-trione|17,21-Dihydroxypregna-1,4-diene-3,11,20-trione|17a,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione|17a,21-Dihydroxypregna-1,4-diene-3,11,20-trione|Adasone|Ancortone|Apo-Prednisone|Bicortone|Cartancyl|Colisone|Cordrol|Cortidelt|Dacorten|Dacortin|Decortancyl|Decortisyl|Dehydrocortisone|Dekortin|Delcortin|Dellacort|Dellacort A|delta cortelan|Delta E|delta-1-Cortisone|delta-1-Dehydrocortisone|Delta-Cortelan|delta-Cortisone|Delta-Dome|delta(sup 1)-Cortisone|delta(sup 1)-Dehydrocortisone|Deltacortene|Deltacortisone|Deltacortone|Deltasone|Deltison|Deltisona|Deltisone|Di-Adreson|DiAdreson|Drazone|Econosone|EINECS 200-160-3|Encorton|Encortone|Enkorton|Fernisone|Fiasone|Hostacortin|IN-Sone|Incocortyl|Juvason|Liquid Pred|Lisacort|Lodotra|Me-Korti|Metacortandracin|Meticorten|NCI-C04897|Novoprednisone|N|68-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021185 https://doi.org/10.22427/NTP-DATA-DTXSID4021185
ERPathway2016 ERPathway2016_237 Prednisone 53-03-2 DTXSID4021185 ER Pathway Model, Antagonist AC50 29.5307449671414 uM C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Prednisone 53-03-2|Prednisone|1-Dehydrocortisone|1,2-Dehydrocortisone|1,4-Pregnadiene-17-alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17a,21-diol-3,11,20-trione|17,21-Dihydroxypregn-1,4-diene-3,11,20-trione|17,21-Dihydroxypregna-1,4-diene-3,11,20-trione|17a,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione|17a,21-Dihydroxypregna-1,4-diene-3,11,20-trione|Adasone|Ancortone|Apo-Prednisone|Bicortone|Cartancyl|Colisone|Cordrol|Cortidelt|Dacorten|Dacortin|Decortancyl|Decortisyl|Dehydrocortisone|Dekortin|Delcortin|Dellacort|Dellacort A|delta cortelan|Delta E|delta-1-Cortisone|delta-1-Dehydrocortisone|Delta-Cortelan|delta-Cortisone|Delta-Dome|delta(sup 1)-Cortisone|delta(sup 1)-Dehydrocortisone|Deltacortene|Deltacortisone|Deltacortone|Deltasone|Deltison|Deltisona|Deltisone|Di-Adreson|DiAdreson|Drazone|Econosone|EINECS 200-160-3|Encorton|Encortone|Enkorton|Fernisone|Fiasone|Hostacortin|IN-Sone|Incocortyl|Juvason|Liquid Pred|Lisacort|Lodotra|Me-Korti|Metacortandracin|Meticorten|NCI-C04897|Novoprednisone|N|68-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021185 https://doi.org/10.22427/NTP-DATA-DTXSID4021185
ERPathway2016 ERPathway2016_237 Prednisone 53-03-2 DTXSID4021185 ER Pathway Model, Antagonist ACC 10.8980322541385 uM C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Prednisone 53-03-2|Prednisone|1-Dehydrocortisone|1,2-Dehydrocortisone|1,4-Pregnadiene-17-alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17a,21-diol-3,11,20-trione|17,21-Dihydroxypregn-1,4-diene-3,11,20-trione|17,21-Dihydroxypregna-1,4-diene-3,11,20-trione|17a,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione|17a,21-Dihydroxypregna-1,4-diene-3,11,20-trione|Adasone|Ancortone|Apo-Prednisone|Bicortone|Cartancyl|Colisone|Cordrol|Cortidelt|Dacorten|Dacortin|Decortancyl|Decortisyl|Dehydrocortisone|Dekortin|Delcortin|Dellacort|Dellacort A|delta cortelan|Delta E|delta-1-Cortisone|delta-1-Dehydrocortisone|Delta-Cortelan|delta-Cortisone|Delta-Dome|delta(sup 1)-Cortisone|delta(sup 1)-Dehydrocortisone|Deltacortene|Deltacortisone|Deltacortone|Deltasone|Deltison|Deltisona|Deltisone|Di-Adreson|DiAdreson|Drazone|Econosone|EINECS 200-160-3|Encorton|Encortone|Enkorton|Fernisone|Fiasone|Hostacortin|IN-Sone|Incocortyl|Juvason|Liquid Pred|Lisacort|Lodotra|Me-Korti|Metacortandracin|Meticorten|NCI-C04897|Novoprednisone|N|68-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021185 https://doi.org/10.22427/NTP-DATA-DTXSID4021185
ERPathway2016 ERPathway2016_237 Prednisone 53-03-2 DTXSID4021185 ER Pathway Model, Agonist Model Score 0.0991 Unitless C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Prednisone 53-03-2|Prednisone|1-Dehydrocortisone|1,2-Dehydrocortisone|1,4-Pregnadiene-17-alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17a,21-diol-3,11,20-trione|17,21-Dihydroxypregn-1,4-diene-3,11,20-trione|17,21-Dihydroxypregna-1,4-diene-3,11,20-trione|17a,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione|17a,21-Dihydroxypregna-1,4-diene-3,11,20-trione|Adasone|Ancortone|Apo-Prednisone|Bicortone|Cartancyl|Colisone|Cordrol|Cortidelt|Dacorten|Dacortin|Decortancyl|Decortisyl|Dehydrocortisone|Dekortin|Delcortin|Dellacort|Dellacort A|delta cortelan|Delta E|delta-1-Cortisone|delta-1-Dehydrocortisone|Delta-Cortelan|delta-Cortisone|Delta-Dome|delta(sup 1)-Cortisone|delta(sup 1)-Dehydrocortisone|Deltacortene|Deltacortisone|Deltacortone|Deltasone|Deltison|Deltisona|Deltisone|Di-Adreson|DiAdreson|Drazone|Econosone|EINECS 200-160-3|Encorton|Encortone|Enkorton|Fernisone|Fiasone|Hostacortin|IN-Sone|Incocortyl|Juvason|Liquid Pred|Lisacort|Lodotra|Me-Korti|Metacortandracin|Meticorten|NCI-C04897|Novoprednisone|N|68-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021185 https://doi.org/10.22427/NTP-DATA-DTXSID4021185
ERPathway2016 ERPathway2016_237 Prednisone 53-03-2 DTXSID4021185 ER Pathway Model, Antagonist Model Score 0 Unitless C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Prednisone 53-03-2|Prednisone|1-Dehydrocortisone|1,2-Dehydrocortisone|1,4-Pregnadiene-17-alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17a,21-diol-3,11,20-trione|17,21-Dihydroxypregn-1,4-diene-3,11,20-trione|17,21-Dihydroxypregna-1,4-diene-3,11,20-trione|17a,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione|17a,21-Dihydroxypregna-1,4-diene-3,11,20-trione|Adasone|Ancortone|Apo-Prednisone|Bicortone|Cartancyl|Colisone|Cordrol|Cortidelt|Dacorten|Dacortin|Decortancyl|Decortisyl|Dehydrocortisone|Dekortin|Delcortin|Dellacort|Dellacort A|delta cortelan|Delta E|delta-1-Cortisone|delta-1-Dehydrocortisone|Delta-Cortelan|delta-Cortisone|Delta-Dome|delta(sup 1)-Cortisone|delta(sup 1)-Dehydrocortisone|Deltacortene|Deltacortisone|Deltacortone|Deltasone|Deltison|Deltisona|Deltisone|Di-Adreson|DiAdreson|Drazone|Econosone|EINECS 200-160-3|Encorton|Encortone|Enkorton|Fernisone|Fiasone|Hostacortin|IN-Sone|Incocortyl|Juvason|Liquid Pred|Lisacort|Lodotra|Me-Korti|Metacortandracin|Meticorten|NCI-C04897|Novoprednisone|N|68-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021185 https://doi.org/10.22427/NTP-DATA-DTXSID4021185
ERPathway2016 ERPathway2016_237 Prednisone 53-03-2 DTXSID4021185 ER Pathway Model, Agonist Call Inactive Unitless C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Prednisone 53-03-2|Prednisone|1-Dehydrocortisone|1,2-Dehydrocortisone|1,4-Pregnadiene-17-alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17a,21-diol-3,11,20-trione|17,21-Dihydroxypregn-1,4-diene-3,11,20-trione|17,21-Dihydroxypregna-1,4-diene-3,11,20-trione|17a,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione|17a,21-Dihydroxypregna-1,4-diene-3,11,20-trione|Adasone|Ancortone|Apo-Prednisone|Bicortone|Cartancyl|Colisone|Cordrol|Cortidelt|Dacorten|Dacortin|Decortancyl|Decortisyl|Dehydrocortisone|Dekortin|Delcortin|Dellacort|Dellacort A|delta cortelan|Delta E|delta-1-Cortisone|delta-1-Dehydrocortisone|Delta-Cortelan|delta-Cortisone|Delta-Dome|delta(sup 1)-Cortisone|delta(sup 1)-Dehydrocortisone|Deltacortene|Deltacortisone|Deltacortone|Deltasone|Deltison|Deltisona|Deltisone|Di-Adreson|DiAdreson|Drazone|Econosone|EINECS 200-160-3|Encorton|Encortone|Enkorton|Fernisone|Fiasone|Hostacortin|IN-Sone|Incocortyl|Juvason|Liquid Pred|Lisacort|Lodotra|Me-Korti|Metacortandracin|Meticorten|NCI-C04897|Novoprednisone|N|68-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021185 https://doi.org/10.22427/NTP-DATA-DTXSID4021185
ERPathway2016 ERPathway2016_237 Prednisone 53-03-2 DTXSID4021185 ER Pathway Model, Antagonist Call Active Unitless C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO Prednisone 53-03-2|Prednisone|1-Dehydrocortisone|1,2-Dehydrocortisone|1,4-Pregnadiene-17-alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione|1,4-Pregnadiene-17a,21-diol-3,11,20-trione|17,21-Dihydroxypregn-1,4-diene-3,11,20-trione|17,21-Dihydroxypregna-1,4-diene-3,11,20-trione|17a,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione|17a,21-Dihydroxypregna-1,4-diene-3,11,20-trione|Adasone|Ancortone|Apo-Prednisone|Bicortone|Cartancyl|Colisone|Cordrol|Cortidelt|Dacorten|Dacortin|Decortancyl|Decortisyl|Dehydrocortisone|Dekortin|Delcortin|Dellacort|Dellacort A|delta cortelan|Delta E|delta-1-Cortisone|delta-1-Dehydrocortisone|Delta-Cortelan|delta-Cortisone|Delta-Dome|delta(sup 1)-Cortisone|delta(sup 1)-Dehydrocortisone|Deltacortene|Deltacortisone|Deltacortone|Deltasone|Deltison|Deltisona|Deltisone|Di-Adreson|DiAdreson|Drazone|Econosone|EINECS 200-160-3|Encorton|Encortone|Enkorton|Fernisone|Fiasone|Hostacortin|IN-Sone|Incocortyl|Juvason|Liquid Pred|Lisacort|Lodotra|Me-Korti|Metacortandracin|Meticorten|NCI-C04897|Novoprednisone|N|68-59-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021185 https://doi.org/10.22427/NTP-DATA-DTXSID4021185
ARPathway2016 ARPathway2016_853 Pregnenolone carbonitrile 1434-54-4 DTXSID7037262 True antagonist shift (No hit/Hit) 3.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12C[C@@H](C#N)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Pregnenolone carbonitrile 1434-54-4|Pregnenolone carbonitrile|(3b,16a)-3-Hydroxy-20-oxopregn-5-ene-16-carbonitrile|16a-Cyanopregnenolone|3beta-hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile|3b-Hydroxy-20-oxo-5-pregnen-16a-carbonitrile|3b-Hydroxy-20-oxopregn-5-ene-16a-carbonitrile|5-Pregnen-3b-ol-20-one-16a-carbonitrile|PCN|Pregn- 5- ene- 16- carbonitrile, 3- hydroxy- 20- oxo- , (3b, 16a) -|Pregn-5-ene-16a-carbonitrile, 3b-hydroxy-20-oxo-|Pregn-5-ene-3b-ol-20-oxo-16a-carbonitrile|Pregnenolone 16alpha-carbonite|pregnenolone 16alpha-carbonitrile|Pregnenolone 16a-carbonitrile|pregnenolone carbonitrile|Pregnenolone-16alpha-carbonitrile|Pregnenolone-16a-carbonitrile|SC 4674|107316-48-3|25875-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037262
ARPathway2016 ARPathway2016_853 Pregnenolone carbonitrile 1434-54-4 DTXSID7037262 True antagonist shift (No hit/Hit) 3.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12C[C@@H](C#N)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Pregnenolone carbonitrile 1434-54-4|Pregnenolone carbonitrile|(3b,16a)-3-Hydroxy-20-oxopregn-5-ene-16-carbonitrile|16a-Cyanopregnenolone|3beta-hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile|3b-Hydroxy-20-oxo-5-pregnen-16a-carbonitrile|3b-Hydroxy-20-oxopregn-5-ene-16a-carbonitrile|5-Pregnen-3b-ol-20-one-16a-carbonitrile|PCN|Pregn- 5- ene- 16- carbonitrile, 3- hydroxy- 20- oxo- , (3b, 16a) -|Pregn-5-ene-16a-carbonitrile, 3b-hydroxy-20-oxo-|Pregn-5-ene-3b-ol-20-oxo-16a-carbonitrile|Pregnenolone 16alpha-carbonite|pregnenolone 16alpha-carbonitrile|Pregnenolone 16a-carbonitrile|pregnenolone carbonitrile|Pregnenolone-16alpha-carbonitrile|Pregnenolone-16a-carbonitrile|SC 4674|107316-48-3|25875-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037262
ARPathway2016 ARPathway2016_853 Pregnenolone carbonitrile 1434-54-4 DTXSID7037262 True antagonist shift (No hit/Hit) 3.0 R5 AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12C[C@@H](C#N)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Pregnenolone carbonitrile 1434-54-4|Pregnenolone carbonitrile|(3b,16a)-3-Hydroxy-20-oxopregn-5-ene-16-carbonitrile|16a-Cyanopregnenolone|3beta-hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile|3b-Hydroxy-20-oxo-5-pregnen-16a-carbonitrile|3b-Hydroxy-20-oxopregn-5-ene-16a-carbonitrile|5-Pregnen-3b-ol-20-one-16a-carbonitrile|PCN|Pregn- 5- ene- 16- carbonitrile, 3- hydroxy- 20- oxo- , (3b, 16a) -|Pregn-5-ene-16a-carbonitrile, 3b-hydroxy-20-oxo-|Pregn-5-ene-3b-ol-20-oxo-16a-carbonitrile|Pregnenolone 16alpha-carbonite|pregnenolone 16alpha-carbonitrile|Pregnenolone 16a-carbonitrile|pregnenolone carbonitrile|Pregnenolone-16alpha-carbonitrile|Pregnenolone-16a-carbonitrile|SC 4674|107316-48-3|25875-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037262
ARPathway2016 ARPathway2016_853 Pregnenolone carbonitrile 1434-54-4 DTXSID7037262 True antagonist shift (No hit/Hit) 3.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12C[C@@H](C#N)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Pregnenolone carbonitrile 1434-54-4|Pregnenolone carbonitrile|(3b,16a)-3-Hydroxy-20-oxopregn-5-ene-16-carbonitrile|16a-Cyanopregnenolone|3beta-hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile|3b-Hydroxy-20-oxo-5-pregnen-16a-carbonitrile|3b-Hydroxy-20-oxopregn-5-ene-16a-carbonitrile|5-Pregnen-3b-ol-20-one-16a-carbonitrile|PCN|Pregn- 5- ene- 16- carbonitrile, 3- hydroxy- 20- oxo- , (3b, 16a) -|Pregn-5-ene-16a-carbonitrile, 3b-hydroxy-20-oxo-|Pregn-5-ene-3b-ol-20-oxo-16a-carbonitrile|Pregnenolone 16alpha-carbonite|pregnenolone 16alpha-carbonitrile|Pregnenolone 16a-carbonitrile|pregnenolone carbonitrile|Pregnenolone-16alpha-carbonitrile|Pregnenolone-16a-carbonitrile|SC 4674|107316-48-3|25875-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037262
ERPathway2016 ERPathway2016_756 Pregnenolone carbonitrile 1434-54-4 DTXSID7037262 A3 ER Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12C[C@@H](C#N)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Pregnenolone carbonitrile 1434-54-4|Pregnenolone carbonitrile|(3b,16a)-3-Hydroxy-20-oxopregn-5-ene-16-carbonitrile|16a-Cyanopregnenolone|3beta-hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile|3b-Hydroxy-20-oxo-5-pregnen-16a-carbonitrile|3b-Hydroxy-20-oxopregn-5-ene-16a-carbonitrile|5-Pregnen-3b-ol-20-one-16a-carbonitrile|PCN|Pregn- 5- ene- 16- carbonitrile, 3- hydroxy- 20- oxo- , (3b, 16a) -|Pregn-5-ene-16a-carbonitrile, 3b-hydroxy-20-oxo-|Pregn-5-ene-3b-ol-20-oxo-16a-carbonitrile|Pregnenolone 16alpha-carbonite|pregnenolone 16alpha-carbonitrile|Pregnenolone 16a-carbonitrile|pregnenolone carbonitrile|Pregnenolone-16alpha-carbonitrile|Pregnenolone-16a-carbonitrile|SC 4674|107316-48-3|25875-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037262
ERPathway2016 ERPathway2016_756 Pregnenolone carbonitrile 1434-54-4 DTXSID7037262 A3 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12C[C@@H](C#N)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Pregnenolone carbonitrile 1434-54-4|Pregnenolone carbonitrile|(3b,16a)-3-Hydroxy-20-oxopregn-5-ene-16-carbonitrile|16a-Cyanopregnenolone|3beta-hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile|3b-Hydroxy-20-oxo-5-pregnen-16a-carbonitrile|3b-Hydroxy-20-oxopregn-5-ene-16a-carbonitrile|5-Pregnen-3b-ol-20-one-16a-carbonitrile|PCN|Pregn- 5- ene- 16- carbonitrile, 3- hydroxy- 20- oxo- , (3b, 16a) -|Pregn-5-ene-16a-carbonitrile, 3b-hydroxy-20-oxo-|Pregn-5-ene-3b-ol-20-oxo-16a-carbonitrile|Pregnenolone 16alpha-carbonite|pregnenolone 16alpha-carbonitrile|Pregnenolone 16a-carbonitrile|pregnenolone carbonitrile|Pregnenolone-16alpha-carbonitrile|Pregnenolone-16a-carbonitrile|SC 4674|107316-48-3|25875-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037262
ERPathway2016 ERPathway2016_756 Pregnenolone carbonitrile 1434-54-4 DTXSID7037262 A3 ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12C[C@@H](C#N)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Pregnenolone carbonitrile 1434-54-4|Pregnenolone carbonitrile|(3b,16a)-3-Hydroxy-20-oxopregn-5-ene-16-carbonitrile|16a-Cyanopregnenolone|3beta-hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile|3b-Hydroxy-20-oxo-5-pregnen-16a-carbonitrile|3b-Hydroxy-20-oxopregn-5-ene-16a-carbonitrile|5-Pregnen-3b-ol-20-one-16a-carbonitrile|PCN|Pregn- 5- ene- 16- carbonitrile, 3- hydroxy- 20- oxo- , (3b, 16a) -|Pregn-5-ene-16a-carbonitrile, 3b-hydroxy-20-oxo-|Pregn-5-ene-3b-ol-20-oxo-16a-carbonitrile|Pregnenolone 16alpha-carbonite|pregnenolone 16alpha-carbonitrile|Pregnenolone 16a-carbonitrile|pregnenolone carbonitrile|Pregnenolone-16alpha-carbonitrile|Pregnenolone-16a-carbonitrile|SC 4674|107316-48-3|25875-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037262
ERPathway2016 ERPathway2016_756 Pregnenolone carbonitrile 1434-54-4 DTXSID7037262 A3 ER Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12C[C@@H](C#N)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C Pregnenolone carbonitrile 1434-54-4|Pregnenolone carbonitrile|(3b,16a)-3-Hydroxy-20-oxopregn-5-ene-16-carbonitrile|16a-Cyanopregnenolone|3beta-hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile|3b-Hydroxy-20-oxo-5-pregnen-16a-carbonitrile|3b-Hydroxy-20-oxopregn-5-ene-16a-carbonitrile|5-Pregnen-3b-ol-20-one-16a-carbonitrile|PCN|Pregn- 5- ene- 16- carbonitrile, 3- hydroxy- 20- oxo- , (3b, 16a) -|Pregn-5-ene-16a-carbonitrile, 3b-hydroxy-20-oxo-|Pregn-5-ene-3b-ol-20-oxo-16a-carbonitrile|Pregnenolone 16alpha-carbonite|pregnenolone 16alpha-carbonitrile|Pregnenolone 16a-carbonitrile|pregnenolone carbonitrile|Pregnenolone-16alpha-carbonitrile|Pregnenolone-16a-carbonitrile|SC 4674|107316-48-3|25875-43-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7037262
ARPathway2016 ARPathway2016_1252 Procaine hydrochloride 51-05-8 DTXSID1044435 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.CCN(CC)CCOC(=O)C1=CC=C(N)C=C1 Procaine hydrochloride 51-05-8|Procaine hydrochloride|2-Diethylaminoethyl p-aminobenzoate hydrochloride|4-Aminobenzoic acid 2-(diethylamino)ethyl ester hydrochloride|Allocaine|Aminocaine|Anadolor|Anesthesol|Anestil|Atoxicocaine|BENZOATE, 4-AMINO-, 2-(DIETHYLAMINO)ETHYL-, MONOHYDROCHLORIDE|Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, monohydrochloride|Benzoic acid, p-amino-, 2-(diethylamino)ethyl ester, monohydrochloride|Bernacaine|Bernocaine|Chlorocaine|Diethylaminoethanol 4-aminobenzoate hydrochloride|EINECS 200-077-2|Ethocain|Ethocaine|Eugerase|Geriocaine|Gerovital H3|Herocaine|Irocaine|Isocain|Isocaine-Heisler|Jenacaine|Juvocaine|Kerocaine|Lactocaine|Medaject|Naucain|Naucaine|Neocaine|Neotonocaine|Novocain|Novocain (TN)|Novocaine|Novocaine hydrochloride|Novocainum|Omnicain|p-Aminobenzoic acid 2-diethylaminoethyl ester hydrochloride|p-Aminobenzoyldiethylaminoethanol hydrochloride|Paracain|Planocaine|Polocaine|procaina, clorhidrato|PROCAINE HCL|Procaine monohydrochloride|Procaine, |12663-50-2|138481-13-7|41585-82-4|8023-03-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044435
ARPathway2016 ARPathway2016_1252 Procaine hydrochloride 51-05-8 DTXSID1044435 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cl.CCN(CC)CCOC(=O)C1=CC=C(N)C=C1 Procaine hydrochloride 51-05-8|Procaine hydrochloride|2-Diethylaminoethyl p-aminobenzoate hydrochloride|4-Aminobenzoic acid 2-(diethylamino)ethyl ester hydrochloride|Allocaine|Aminocaine|Anadolor|Anesthesol|Anestil|Atoxicocaine|BENZOATE, 4-AMINO-, 2-(DIETHYLAMINO)ETHYL-, MONOHYDROCHLORIDE|Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, monohydrochloride|Benzoic acid, p-amino-, 2-(diethylamino)ethyl ester, monohydrochloride|Bernacaine|Bernocaine|Chlorocaine|Diethylaminoethanol 4-aminobenzoate hydrochloride|EINECS 200-077-2|Ethocain|Ethocaine|Eugerase|Geriocaine|Gerovital H3|Herocaine|Irocaine|Isocain|Isocaine-Heisler|Jenacaine|Juvocaine|Kerocaine|Lactocaine|Medaject|Naucain|Naucaine|Neocaine|Neotonocaine|Novocain|Novocain (TN)|Novocaine|Novocaine hydrochloride|Novocainum|Omnicain|p-Aminobenzoic acid 2-diethylaminoethyl ester hydrochloride|p-Aminobenzoyldiethylaminoethanol hydrochloride|Paracain|Planocaine|Polocaine|procaina, clorhidrato|PROCAINE HCL|Procaine monohydrochloride|Procaine, |12663-50-2|138481-13-7|41585-82-4|8023-03-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044435
ARPathway2016 ARPathway2016_1252 Procaine hydrochloride 51-05-8 DTXSID1044435 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cl.CCN(CC)CCOC(=O)C1=CC=C(N)C=C1 Procaine hydrochloride 51-05-8|Procaine hydrochloride|2-Diethylaminoethyl p-aminobenzoate hydrochloride|4-Aminobenzoic acid 2-(diethylamino)ethyl ester hydrochloride|Allocaine|Aminocaine|Anadolor|Anesthesol|Anestil|Atoxicocaine|BENZOATE, 4-AMINO-, 2-(DIETHYLAMINO)ETHYL-, MONOHYDROCHLORIDE|Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, monohydrochloride|Benzoic acid, p-amino-, 2-(diethylamino)ethyl ester, monohydrochloride|Bernacaine|Bernocaine|Chlorocaine|Diethylaminoethanol 4-aminobenzoate hydrochloride|EINECS 200-077-2|Ethocain|Ethocaine|Eugerase|Geriocaine|Gerovital H3|Herocaine|Irocaine|Isocain|Isocaine-Heisler|Jenacaine|Juvocaine|Kerocaine|Lactocaine|Medaject|Naucain|Naucaine|Neocaine|Neotonocaine|Novocain|Novocain (TN)|Novocaine|Novocaine hydrochloride|Novocainum|Omnicain|p-Aminobenzoic acid 2-diethylaminoethyl ester hydrochloride|p-Aminobenzoyldiethylaminoethanol hydrochloride|Paracain|Planocaine|Polocaine|procaina, clorhidrato|PROCAINE HCL|Procaine monohydrochloride|Procaine, |12663-50-2|138481-13-7|41585-82-4|8023-03-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044435
ARPathway2016 ARPathway2016_1252 Procaine hydrochloride 51-05-8 DTXSID1044435 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cl.CCN(CC)CCOC(=O)C1=CC=C(N)C=C1 Procaine hydrochloride 51-05-8|Procaine hydrochloride|2-Diethylaminoethyl p-aminobenzoate hydrochloride|4-Aminobenzoic acid 2-(diethylamino)ethyl ester hydrochloride|Allocaine|Aminocaine|Anadolor|Anesthesol|Anestil|Atoxicocaine|BENZOATE, 4-AMINO-, 2-(DIETHYLAMINO)ETHYL-, MONOHYDROCHLORIDE|Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, monohydrochloride|Benzoic acid, p-amino-, 2-(diethylamino)ethyl ester, monohydrochloride|Bernacaine|Bernocaine|Chlorocaine|Diethylaminoethanol 4-aminobenzoate hydrochloride|EINECS 200-077-2|Ethocain|Ethocaine|Eugerase|Geriocaine|Gerovital H3|Herocaine|Irocaine|Isocain|Isocaine-Heisler|Jenacaine|Juvocaine|Kerocaine|Lactocaine|Medaject|Naucain|Naucaine|Neocaine|Neotonocaine|Novocain|Novocain (TN)|Novocaine|Novocaine hydrochloride|Novocainum|Omnicain|p-Aminobenzoic acid 2-diethylaminoethyl ester hydrochloride|p-Aminobenzoyldiethylaminoethanol hydrochloride|Paracain|Planocaine|Polocaine|procaina, clorhidrato|PROCAINE HCL|Procaine monohydrochloride|Procaine, |12663-50-2|138481-13-7|41585-82-4|8023-03-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044435
ERPathway2016 ERPathway2016_1500 Procaine hydrochloride 51-05-8 DTXSID1044435 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CCN(CC)CCOC(=O)C1=CC=C(N)C=C1 Procaine hydrochloride 51-05-8|Procaine hydrochloride|2-Diethylaminoethyl p-aminobenzoate hydrochloride|4-Aminobenzoic acid 2-(diethylamino)ethyl ester hydrochloride|Allocaine|Aminocaine|Anadolor|Anesthesol|Anestil|Atoxicocaine|BENZOATE, 4-AMINO-, 2-(DIETHYLAMINO)ETHYL-, MONOHYDROCHLORIDE|Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, monohydrochloride|Benzoic acid, p-amino-, 2-(diethylamino)ethyl ester, monohydrochloride|Bernacaine|Bernocaine|Chlorocaine|Diethylaminoethanol 4-aminobenzoate hydrochloride|EINECS 200-077-2|Ethocain|Ethocaine|Eugerase|Geriocaine|Gerovital H3|Herocaine|Irocaine|Isocain|Isocaine-Heisler|Jenacaine|Juvocaine|Kerocaine|Lactocaine|Medaject|Naucain|Naucaine|Neocaine|Neotonocaine|Novocain|Novocain (TN)|Novocaine|Novocaine hydrochloride|Novocainum|Omnicain|p-Aminobenzoic acid 2-diethylaminoethyl ester hydrochloride|p-Aminobenzoyldiethylaminoethanol hydrochloride|Paracain|Planocaine|Polocaine|procaina, clorhidrato|PROCAINE HCL|Procaine monohydrochloride|Procaine, |12663-50-2|138481-13-7|41585-82-4|8023-03-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044435
ERPathway2016 ERPathway2016_1500 Procaine hydrochloride 51-05-8 DTXSID1044435 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CCN(CC)CCOC(=O)C1=CC=C(N)C=C1 Procaine hydrochloride 51-05-8|Procaine hydrochloride|2-Diethylaminoethyl p-aminobenzoate hydrochloride|4-Aminobenzoic acid 2-(diethylamino)ethyl ester hydrochloride|Allocaine|Aminocaine|Anadolor|Anesthesol|Anestil|Atoxicocaine|BENZOATE, 4-AMINO-, 2-(DIETHYLAMINO)ETHYL-, MONOHYDROCHLORIDE|Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, monohydrochloride|Benzoic acid, p-amino-, 2-(diethylamino)ethyl ester, monohydrochloride|Bernacaine|Bernocaine|Chlorocaine|Diethylaminoethanol 4-aminobenzoate hydrochloride|EINECS 200-077-2|Ethocain|Ethocaine|Eugerase|Geriocaine|Gerovital H3|Herocaine|Irocaine|Isocain|Isocaine-Heisler|Jenacaine|Juvocaine|Kerocaine|Lactocaine|Medaject|Naucain|Naucaine|Neocaine|Neotonocaine|Novocain|Novocain (TN)|Novocaine|Novocaine hydrochloride|Novocainum|Omnicain|p-Aminobenzoic acid 2-diethylaminoethyl ester hydrochloride|p-Aminobenzoyldiethylaminoethanol hydrochloride|Paracain|Planocaine|Polocaine|procaina, clorhidrato|PROCAINE HCL|Procaine monohydrochloride|Procaine, |12663-50-2|138481-13-7|41585-82-4|8023-03-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044435
ERPathway2016 ERPathway2016_1500 Procaine hydrochloride 51-05-8 DTXSID1044435 ER Pathway Model, Agonist Call Inactive Unitless Cl.CCN(CC)CCOC(=O)C1=CC=C(N)C=C1 Procaine hydrochloride 51-05-8|Procaine hydrochloride|2-Diethylaminoethyl p-aminobenzoate hydrochloride|4-Aminobenzoic acid 2-(diethylamino)ethyl ester hydrochloride|Allocaine|Aminocaine|Anadolor|Anesthesol|Anestil|Atoxicocaine|BENZOATE, 4-AMINO-, 2-(DIETHYLAMINO)ETHYL-, MONOHYDROCHLORIDE|Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, monohydrochloride|Benzoic acid, p-amino-, 2-(diethylamino)ethyl ester, monohydrochloride|Bernacaine|Bernocaine|Chlorocaine|Diethylaminoethanol 4-aminobenzoate hydrochloride|EINECS 200-077-2|Ethocain|Ethocaine|Eugerase|Geriocaine|Gerovital H3|Herocaine|Irocaine|Isocain|Isocaine-Heisler|Jenacaine|Juvocaine|Kerocaine|Lactocaine|Medaject|Naucain|Naucaine|Neocaine|Neotonocaine|Novocain|Novocain (TN)|Novocaine|Novocaine hydrochloride|Novocainum|Omnicain|p-Aminobenzoic acid 2-diethylaminoethyl ester hydrochloride|p-Aminobenzoyldiethylaminoethanol hydrochloride|Paracain|Planocaine|Polocaine|procaina, clorhidrato|PROCAINE HCL|Procaine monohydrochloride|Procaine, |12663-50-2|138481-13-7|41585-82-4|8023-03-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044435
ERPathway2016 ERPathway2016_1500 Procaine hydrochloride 51-05-8 DTXSID1044435 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CCN(CC)CCOC(=O)C1=CC=C(N)C=C1 Procaine hydrochloride 51-05-8|Procaine hydrochloride|2-Diethylaminoethyl p-aminobenzoate hydrochloride|4-Aminobenzoic acid 2-(diethylamino)ethyl ester hydrochloride|Allocaine|Aminocaine|Anadolor|Anesthesol|Anestil|Atoxicocaine|BENZOATE, 4-AMINO-, 2-(DIETHYLAMINO)ETHYL-, MONOHYDROCHLORIDE|Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, monohydrochloride|Benzoic acid, p-amino-, 2-(diethylamino)ethyl ester, monohydrochloride|Bernacaine|Bernocaine|Chlorocaine|Diethylaminoethanol 4-aminobenzoate hydrochloride|EINECS 200-077-2|Ethocain|Ethocaine|Eugerase|Geriocaine|Gerovital H3|Herocaine|Irocaine|Isocain|Isocaine-Heisler|Jenacaine|Juvocaine|Kerocaine|Lactocaine|Medaject|Naucain|Naucaine|Neocaine|Neotonocaine|Novocain|Novocain (TN)|Novocaine|Novocaine hydrochloride|Novocainum|Omnicain|p-Aminobenzoic acid 2-diethylaminoethyl ester hydrochloride|p-Aminobenzoyldiethylaminoethanol hydrochloride|Paracain|Planocaine|Polocaine|procaina, clorhidrato|PROCAINE HCL|Procaine monohydrochloride|Procaine, |12663-50-2|138481-13-7|41585-82-4|8023-03-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044435
ARPathway2016 ARPathway2016_248 Prochloraz 67747-09-5 DTXSID4024270 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 27.5973185963562 uM CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)N1C=CN=C1 Prochloraz 67747-09-5|Prochloraz|1-(N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)carbamoyl)imidazole|1H-Imidazole-1-carboxamide, N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-|Ascurit|BTS 40542-7877|Caswell No. 704E|Dibavit|EINECS 266-994-5|EPA Pesticide Chemical Code 128851|N-propil-N-[2-(2,4,6-triclorofenoxi)etil]-1H-imidazol-1-carboxamida|N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl-1H-imidazole-1-carboxamide|N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorphenoxy)ethyl]-1H-imidazol-1-carboxamid|Plocloraz|Prelude|Sportak|Sportake|UNII-99SFL01YCL|1135441-21-2|68444-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024270
ARPathway2016 ARPathway2016_248 Prochloraz 67747-09-5 DTXSID4024270 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 25.96657953 uM CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)N1C=CN=C1 Prochloraz 67747-09-5|Prochloraz|1-(N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)carbamoyl)imidazole|1H-Imidazole-1-carboxamide, N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-|Ascurit|BTS 40542-7877|Caswell No. 704E|Dibavit|EINECS 266-994-5|EPA Pesticide Chemical Code 128851|N-propil-N-[2-(2,4,6-triclorofenoxi)etil]-1H-imidazol-1-carboxamida|N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl-1H-imidazole-1-carboxamide|N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorphenoxy)ethyl]-1H-imidazol-1-carboxamid|Plocloraz|Prelude|Sportak|Sportake|UNII-99SFL01YCL|1135441-21-2|68444-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024270
ARPathway2016 ARPathway2016_248 Prochloraz 67747-09-5 DTXSID4024270 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.295 Unitless CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)N1C=CN=C1 Prochloraz 67747-09-5|Prochloraz|1-(N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)carbamoyl)imidazole|1H-Imidazole-1-carboxamide, N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-|Ascurit|BTS 40542-7877|Caswell No. 704E|Dibavit|EINECS 266-994-5|EPA Pesticide Chemical Code 128851|N-propil-N-[2-(2,4,6-triclorofenoxi)etil]-1H-imidazol-1-carboxamida|N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl-1H-imidazole-1-carboxamide|N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorphenoxy)ethyl]-1H-imidazol-1-carboxamid|Plocloraz|Prelude|Sportak|Sportake|UNII-99SFL01YCL|1135441-21-2|68444-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024270
ARPathway2016 ARPathway2016_248 Prochloraz 67747-09-5 DTXSID4024270 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)N1C=CN=C1 Prochloraz 67747-09-5|Prochloraz|1-(N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)carbamoyl)imidazole|1H-Imidazole-1-carboxamide, N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-|Ascurit|BTS 40542-7877|Caswell No. 704E|Dibavit|EINECS 266-994-5|EPA Pesticide Chemical Code 128851|N-propil-N-[2-(2,4,6-triclorofenoxi)etil]-1H-imidazol-1-carboxamida|N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl-1H-imidazole-1-carboxamide|N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorphenoxy)ethyl]-1H-imidazol-1-carboxamid|Plocloraz|Prelude|Sportak|Sportake|UNII-99SFL01YCL|1135441-21-2|68444-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024270
ARPathway2016 ARPathway2016_248 Prochloraz 67747-09-5 DTXSID4024270 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)N1C=CN=C1 Prochloraz 67747-09-5|Prochloraz|1-(N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)carbamoyl)imidazole|1H-Imidazole-1-carboxamide, N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-|Ascurit|BTS 40542-7877|Caswell No. 704E|Dibavit|EINECS 266-994-5|EPA Pesticide Chemical Code 128851|N-propil-N-[2-(2,4,6-triclorofenoxi)etil]-1H-imidazol-1-carboxamida|N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl-1H-imidazole-1-carboxamide|N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorphenoxy)ethyl]-1H-imidazol-1-carboxamid|Plocloraz|Prelude|Sportak|Sportake|UNII-99SFL01YCL|1135441-21-2|68444-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024270
ARPathway2016 ARPathway2016_248 Prochloraz 67747-09-5 DTXSID4024270 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)N1C=CN=C1 Prochloraz 67747-09-5|Prochloraz|1-(N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)carbamoyl)imidazole|1H-Imidazole-1-carboxamide, N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-|Ascurit|BTS 40542-7877|Caswell No. 704E|Dibavit|EINECS 266-994-5|EPA Pesticide Chemical Code 128851|N-propil-N-[2-(2,4,6-triclorofenoxi)etil]-1H-imidazol-1-carboxamida|N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl-1H-imidazole-1-carboxamide|N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorphenoxy)ethyl]-1H-imidazol-1-carboxamid|Plocloraz|Prelude|Sportak|Sportake|UNII-99SFL01YCL|1135441-21-2|68444-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024270
ERPathway2016 ERPathway2016_1607 Prochloraz 67747-09-5 DTXSID4024270 ER Pathway Model, Agonist Model Score 0 Unitless CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)N1C=CN=C1 Prochloraz 67747-09-5|Prochloraz|1-(N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)carbamoyl)imidazole|1H-Imidazole-1-carboxamide, N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-|Ascurit|BTS 40542-7877|Caswell No. 704E|Dibavit|EINECS 266-994-5|EPA Pesticide Chemical Code 128851|N-propil-N-[2-(2,4,6-triclorofenoxi)etil]-1H-imidazol-1-carboxamida|N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl-1H-imidazole-1-carboxamide|N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorphenoxy)ethyl]-1H-imidazol-1-carboxamid|Plocloraz|Prelude|Sportak|Sportake|UNII-99SFL01YCL|1135441-21-2|68444-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024270
ERPathway2016 ERPathway2016_1607 Prochloraz 67747-09-5 DTXSID4024270 ER Pathway Model, Antagonist Model Score 0 Unitless CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)N1C=CN=C1 Prochloraz 67747-09-5|Prochloraz|1-(N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)carbamoyl)imidazole|1H-Imidazole-1-carboxamide, N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-|Ascurit|BTS 40542-7877|Caswell No. 704E|Dibavit|EINECS 266-994-5|EPA Pesticide Chemical Code 128851|N-propil-N-[2-(2,4,6-triclorofenoxi)etil]-1H-imidazol-1-carboxamida|N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl-1H-imidazole-1-carboxamide|N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorphenoxy)ethyl]-1H-imidazol-1-carboxamid|Plocloraz|Prelude|Sportak|Sportake|UNII-99SFL01YCL|1135441-21-2|68444-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024270
ERPathway2016 ERPathway2016_1607 Prochloraz 67747-09-5 DTXSID4024270 ER Pathway Model, Agonist Call Inactive Unitless CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)N1C=CN=C1 Prochloraz 67747-09-5|Prochloraz|1-(N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)carbamoyl)imidazole|1H-Imidazole-1-carboxamide, N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-|Ascurit|BTS 40542-7877|Caswell No. 704E|Dibavit|EINECS 266-994-5|EPA Pesticide Chemical Code 128851|N-propil-N-[2-(2,4,6-triclorofenoxi)etil]-1H-imidazol-1-carboxamida|N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl-1H-imidazole-1-carboxamide|N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorphenoxy)ethyl]-1H-imidazol-1-carboxamid|Plocloraz|Prelude|Sportak|Sportake|UNII-99SFL01YCL|1135441-21-2|68444-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024270
ERPathway2016 ERPathway2016_1607 Prochloraz 67747-09-5 DTXSID4024270 ER Pathway Model, Antagonist Call Inactive Unitless CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)N1C=CN=C1 Prochloraz 67747-09-5|Prochloraz|1-(N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)carbamoyl)imidazole|1H-Imidazole-1-carboxamide, N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-|Ascurit|BTS 40542-7877|Caswell No. 704E|Dibavit|EINECS 266-994-5|EPA Pesticide Chemical Code 128851|N-propil-N-[2-(2,4,6-triclorofenoxi)etil]-1H-imidazol-1-carboxamida|N-Propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl-1H-imidazole-1-carboxamide|N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide|N-Propyl-N-[2-(2,4,6-trichlorphenoxy)ethyl]-1H-imidazol-1-carboxamid|Plocloraz|Prelude|Sportak|Sportake|UNII-99SFL01YCL|1135441-21-2|68444-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024270
ARPathway2016 ARPathway2016_153 Procymidone 32809-16-8 DTXSID9033923 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist AC50 1.267447425 uM CC12CC1(C)C(=O)N(C2=O)C1=CC(Cl)=CC(Cl)=C1 Procymidone 32809-16-8|Procymidone|1,2-Cyclopropanedicarboximide, N-(3,5-dichlorophenyl)-1,2-dimethyl-|1,2-Dimethyl-N-(3,5-dichlorophenyl)cyclopropanedicarboximide|3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo(3.1.0)hexane-2,4-dione|3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione|3-(3,5-Dichlorphenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2,4-dion|3-(3,5-diclorofenil)-1,5-dimetil-3-azabiciclo[3.1.0]hexano-2,4-diona|3-Azabicyclo[3.1.0]hexane-2,4-dione, 3-(3,5-dichlorophenyl)-1,5-dimethyl-|BRN 1539058|Dicyclidine|EINECS 251-233-1|Kenolex|N-(3,5-Dichlorophenyl)-1,2-dimethyl-1,2-cyclopropanedicarboximide|N-(3,5-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|N-(3',5'-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|PROCYMIDON|Procymidor|Procymidox|Salithiex|Sumilex|Sumilex 50WP|Sumisclex|UNII-EC2FI67U2Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID9033923
ARPathway2016 ARPathway2016_153 Procymidone 32809-16-8 DTXSID9033923 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist ACC 2.433109814 uM CC12CC1(C)C(=O)N(C2=O)C1=CC(Cl)=CC(Cl)=C1 Procymidone 32809-16-8|Procymidone|1,2-Cyclopropanedicarboximide, N-(3,5-dichlorophenyl)-1,2-dimethyl-|1,2-Dimethyl-N-(3,5-dichlorophenyl)cyclopropanedicarboximide|3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo(3.1.0)hexane-2,4-dione|3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione|3-(3,5-Dichlorphenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2,4-dion|3-(3,5-diclorofenil)-1,5-dimetil-3-azabiciclo[3.1.0]hexano-2,4-diona|3-Azabicyclo[3.1.0]hexane-2,4-dione, 3-(3,5-dichlorophenyl)-1,5-dimethyl-|BRN 1539058|Dicyclidine|EINECS 251-233-1|Kenolex|N-(3,5-Dichlorophenyl)-1,2-dimethyl-1,2-cyclopropanedicarboximide|N-(3,5-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|N-(3',5'-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|PROCYMIDON|Procymidor|Procymidox|Salithiex|Sumilex|Sumilex 50WP|Sumisclex|UNII-EC2FI67U2Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID9033923
ARPathway2016 ARPathway2016_153 Procymidone 32809-16-8 DTXSID9033923 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Antagonist Model Score 0.316 Unitless CC12CC1(C)C(=O)N(C2=O)C1=CC(Cl)=CC(Cl)=C1 Procymidone 32809-16-8|Procymidone|1,2-Cyclopropanedicarboximide, N-(3,5-dichlorophenyl)-1,2-dimethyl-|1,2-Dimethyl-N-(3,5-dichlorophenyl)cyclopropanedicarboximide|3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo(3.1.0)hexane-2,4-dione|3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione|3-(3,5-Dichlorphenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2,4-dion|3-(3,5-diclorofenil)-1,5-dimetil-3-azabiciclo[3.1.0]hexano-2,4-diona|3-Azabicyclo[3.1.0]hexane-2,4-dione, 3-(3,5-dichlorophenyl)-1,5-dimethyl-|BRN 1539058|Dicyclidine|EINECS 251-233-1|Kenolex|N-(3,5-Dichlorophenyl)-1,2-dimethyl-1,2-cyclopropanedicarboximide|N-(3,5-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|N-(3',5'-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|PROCYMIDON|Procymidor|Procymidox|Salithiex|Sumilex|Sumilex 50WP|Sumisclex|UNII-EC2FI67U2Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID9033923
ARPathway2016 ARPathway2016_153 Procymidone 32809-16-8 DTXSID9033923 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC12CC1(C)C(=O)N(C2=O)C1=CC(Cl)=CC(Cl)=C1 Procymidone 32809-16-8|Procymidone|1,2-Cyclopropanedicarboximide, N-(3,5-dichlorophenyl)-1,2-dimethyl-|1,2-Dimethyl-N-(3,5-dichlorophenyl)cyclopropanedicarboximide|3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo(3.1.0)hexane-2,4-dione|3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione|3-(3,5-Dichlorphenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2,4-dion|3-(3,5-diclorofenil)-1,5-dimetil-3-azabiciclo[3.1.0]hexano-2,4-diona|3-Azabicyclo[3.1.0]hexane-2,4-dione, 3-(3,5-dichlorophenyl)-1,5-dimethyl-|BRN 1539058|Dicyclidine|EINECS 251-233-1|Kenolex|N-(3,5-Dichlorophenyl)-1,2-dimethyl-1,2-cyclopropanedicarboximide|N-(3,5-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|N-(3',5'-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|PROCYMIDON|Procymidor|Procymidox|Salithiex|Sumilex|Sumilex 50WP|Sumisclex|UNII-EC2FI67U2Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID9033923
ARPathway2016 ARPathway2016_153 Procymidone 32809-16-8 DTXSID9033923 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC12CC1(C)C(=O)N(C2=O)C1=CC(Cl)=CC(Cl)=C1 Procymidone 32809-16-8|Procymidone|1,2-Cyclopropanedicarboximide, N-(3,5-dichlorophenyl)-1,2-dimethyl-|1,2-Dimethyl-N-(3,5-dichlorophenyl)cyclopropanedicarboximide|3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo(3.1.0)hexane-2,4-dione|3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione|3-(3,5-Dichlorphenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2,4-dion|3-(3,5-diclorofenil)-1,5-dimetil-3-azabiciclo[3.1.0]hexano-2,4-diona|3-Azabicyclo[3.1.0]hexane-2,4-dione, 3-(3,5-dichlorophenyl)-1,5-dimethyl-|BRN 1539058|Dicyclidine|EINECS 251-233-1|Kenolex|N-(3,5-Dichlorophenyl)-1,2-dimethyl-1,2-cyclopropanedicarboximide|N-(3,5-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|N-(3',5'-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|PROCYMIDON|Procymidor|Procymidox|Salithiex|Sumilex|Sumilex 50WP|Sumisclex|UNII-EC2FI67U2Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID9033923
ARPathway2016 ARPathway2016_153 Procymidone 32809-16-8 DTXSID9033923 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC12CC1(C)C(=O)N(C2=O)C1=CC(Cl)=CC(Cl)=C1 Procymidone 32809-16-8|Procymidone|1,2-Cyclopropanedicarboximide, N-(3,5-dichlorophenyl)-1,2-dimethyl-|1,2-Dimethyl-N-(3,5-dichlorophenyl)cyclopropanedicarboximide|3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo(3.1.0)hexane-2,4-dione|3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione|3-(3,5-Dichlorphenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2,4-dion|3-(3,5-diclorofenil)-1,5-dimetil-3-azabiciclo[3.1.0]hexano-2,4-diona|3-Azabicyclo[3.1.0]hexane-2,4-dione, 3-(3,5-dichlorophenyl)-1,5-dimethyl-|BRN 1539058|Dicyclidine|EINECS 251-233-1|Kenolex|N-(3,5-Dichlorophenyl)-1,2-dimethyl-1,2-cyclopropanedicarboximide|N-(3,5-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|N-(3',5'-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|PROCYMIDON|Procymidor|Procymidox|Salithiex|Sumilex|Sumilex 50WP|Sumisclex|UNII-EC2FI67U2Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID9033923
ERPathway2016 ERPathway2016_1449 Procymidone 32809-16-8 DTXSID9033923 ER Pathway Model, Agonist Model Score 0 Unitless CC12CC1(C)C(=O)N(C2=O)C1=CC(Cl)=CC(Cl)=C1 Procymidone 32809-16-8|Procymidone|1,2-Cyclopropanedicarboximide, N-(3,5-dichlorophenyl)-1,2-dimethyl-|1,2-Dimethyl-N-(3,5-dichlorophenyl)cyclopropanedicarboximide|3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo(3.1.0)hexane-2,4-dione|3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione|3-(3,5-Dichlorphenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2,4-dion|3-(3,5-diclorofenil)-1,5-dimetil-3-azabiciclo[3.1.0]hexano-2,4-diona|3-Azabicyclo[3.1.0]hexane-2,4-dione, 3-(3,5-dichlorophenyl)-1,5-dimethyl-|BRN 1539058|Dicyclidine|EINECS 251-233-1|Kenolex|N-(3,5-Dichlorophenyl)-1,2-dimethyl-1,2-cyclopropanedicarboximide|N-(3,5-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|N-(3',5'-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|PROCYMIDON|Procymidor|Procymidox|Salithiex|Sumilex|Sumilex 50WP|Sumisclex|UNII-EC2FI67U2Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID9033923
ERPathway2016 ERPathway2016_1449 Procymidone 32809-16-8 DTXSID9033923 ER Pathway Model, Antagonist Model Score 0 Unitless CC12CC1(C)C(=O)N(C2=O)C1=CC(Cl)=CC(Cl)=C1 Procymidone 32809-16-8|Procymidone|1,2-Cyclopropanedicarboximide, N-(3,5-dichlorophenyl)-1,2-dimethyl-|1,2-Dimethyl-N-(3,5-dichlorophenyl)cyclopropanedicarboximide|3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo(3.1.0)hexane-2,4-dione|3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione|3-(3,5-Dichlorphenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2,4-dion|3-(3,5-diclorofenil)-1,5-dimetil-3-azabiciclo[3.1.0]hexano-2,4-diona|3-Azabicyclo[3.1.0]hexane-2,4-dione, 3-(3,5-dichlorophenyl)-1,5-dimethyl-|BRN 1539058|Dicyclidine|EINECS 251-233-1|Kenolex|N-(3,5-Dichlorophenyl)-1,2-dimethyl-1,2-cyclopropanedicarboximide|N-(3,5-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|N-(3',5'-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|PROCYMIDON|Procymidor|Procymidox|Salithiex|Sumilex|Sumilex 50WP|Sumisclex|UNII-EC2FI67U2Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID9033923
ERPathway2016 ERPathway2016_1449 Procymidone 32809-16-8 DTXSID9033923 ER Pathway Model, Agonist Call Inactive Unitless CC12CC1(C)C(=O)N(C2=O)C1=CC(Cl)=CC(Cl)=C1 Procymidone 32809-16-8|Procymidone|1,2-Cyclopropanedicarboximide, N-(3,5-dichlorophenyl)-1,2-dimethyl-|1,2-Dimethyl-N-(3,5-dichlorophenyl)cyclopropanedicarboximide|3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo(3.1.0)hexane-2,4-dione|3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione|3-(3,5-Dichlorphenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2,4-dion|3-(3,5-diclorofenil)-1,5-dimetil-3-azabiciclo[3.1.0]hexano-2,4-diona|3-Azabicyclo[3.1.0]hexane-2,4-dione, 3-(3,5-dichlorophenyl)-1,5-dimethyl-|BRN 1539058|Dicyclidine|EINECS 251-233-1|Kenolex|N-(3,5-Dichlorophenyl)-1,2-dimethyl-1,2-cyclopropanedicarboximide|N-(3,5-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|N-(3',5'-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|PROCYMIDON|Procymidor|Procymidox|Salithiex|Sumilex|Sumilex 50WP|Sumisclex|UNII-EC2FI67U2Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID9033923
ERPathway2016 ERPathway2016_1449 Procymidone 32809-16-8 DTXSID9033923 ER Pathway Model, Antagonist Call Inactive Unitless CC12CC1(C)C(=O)N(C2=O)C1=CC(Cl)=CC(Cl)=C1 Procymidone 32809-16-8|Procymidone|1,2-Cyclopropanedicarboximide, N-(3,5-dichlorophenyl)-1,2-dimethyl-|1,2-Dimethyl-N-(3,5-dichlorophenyl)cyclopropanedicarboximide|3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo(3.1.0)hexane-2,4-dione|3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione|3-(3,5-Dichlorphenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2,4-dion|3-(3,5-diclorofenil)-1,5-dimetil-3-azabiciclo[3.1.0]hexano-2,4-diona|3-Azabicyclo[3.1.0]hexane-2,4-dione, 3-(3,5-dichlorophenyl)-1,5-dimethyl-|BRN 1539058|Dicyclidine|EINECS 251-233-1|Kenolex|N-(3,5-Dichlorophenyl)-1,2-dimethyl-1,2-cyclopropanedicarboximide|N-(3,5-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|N-(3',5'-Dichlorophenyl)-1,2-dimethylcyclopropane-1,2-dicarboximide|PROCYMIDON|Procymidor|Procymidox|Salithiex|Sumilex|Sumilex 50WP|Sumisclex|UNII-EC2FI67U2Y https://comptox.epa.gov/dashboard/chemical/details/DTXSID9033923
ARPathway2016 ARPathway2016_143 Prodiamine 29091-21-2 DTXSID1034210 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 39.7934795368254 uM CCCN(CCC)C1=C(C(N)=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Prodiamine 29091-21-2|Prodiamine|1,3-Benzenediamine, 2,4-dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-|1,3-Benzenediamine, 2,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)-|1,3-Diamino-N1,N1-dipropyl-2,6-dinitro-4-trifluoromethylbenzene|2,4-Dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,4-Dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,6-Dinitro-N1,N1-dipropyl-4-trifluoromethyl-m-phenylenediamine|5-Dipropylamino-alpha,alpha,alpha-trifluoro-4,6-dinitro-o-toluidine|alpha,alpha,alpha-Trifluoro-3,5-dinitro-N4,N4-dipropyltoluene-2,4-diamine|Blockade|BRN 2181386|Caswell No. 727A|CSCA086715|EINECS 249-421-3|Endurance|EPA Pesticide Chemical Code 110201|Kusablock|N(sup 3),N(sup 3)-Dipropyl-2,4-dinitro-6-trifluoromethyl-m-phenylenediamine|N3,N3-Dipropyl-2,4-dinitro-6-trifluoromethyl-1,3-phenylenediamine|SAN 745H|SAN745H|Toluene-2,4-diamine, alpha,alpha,alpha-trifluoro-3,5-dinitro-N(sup 4),N(sup 4)-dipropyl-|UNII-IJI5J414Q6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034210
ARPathway2016 ARPathway2016_143 Prodiamine 29091-21-2 DTXSID1034210 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 36.5919748424617 uM CCCN(CCC)C1=C(C(N)=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Prodiamine 29091-21-2|Prodiamine|1,3-Benzenediamine, 2,4-dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-|1,3-Benzenediamine, 2,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)-|1,3-Diamino-N1,N1-dipropyl-2,6-dinitro-4-trifluoromethylbenzene|2,4-Dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,4-Dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,6-Dinitro-N1,N1-dipropyl-4-trifluoromethyl-m-phenylenediamine|5-Dipropylamino-alpha,alpha,alpha-trifluoro-4,6-dinitro-o-toluidine|alpha,alpha,alpha-Trifluoro-3,5-dinitro-N4,N4-dipropyltoluene-2,4-diamine|Blockade|BRN 2181386|Caswell No. 727A|CSCA086715|EINECS 249-421-3|Endurance|EPA Pesticide Chemical Code 110201|Kusablock|N(sup 3),N(sup 3)-Dipropyl-2,4-dinitro-6-trifluoromethyl-m-phenylenediamine|N3,N3-Dipropyl-2,4-dinitro-6-trifluoromethyl-1,3-phenylenediamine|SAN 745H|SAN745H|Toluene-2,4-diamine, alpha,alpha,alpha-trifluoro-3,5-dinitro-N(sup 4),N(sup 4)-dipropyl-|UNII-IJI5J414Q6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034210
ARPathway2016 ARPathway2016_143 Prodiamine 29091-21-2 DTXSID1034210 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.104 Unitless CCCN(CCC)C1=C(C(N)=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Prodiamine 29091-21-2|Prodiamine|1,3-Benzenediamine, 2,4-dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-|1,3-Benzenediamine, 2,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)-|1,3-Diamino-N1,N1-dipropyl-2,6-dinitro-4-trifluoromethylbenzene|2,4-Dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,4-Dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,6-Dinitro-N1,N1-dipropyl-4-trifluoromethyl-m-phenylenediamine|5-Dipropylamino-alpha,alpha,alpha-trifluoro-4,6-dinitro-o-toluidine|alpha,alpha,alpha-Trifluoro-3,5-dinitro-N4,N4-dipropyltoluene-2,4-diamine|Blockade|BRN 2181386|Caswell No. 727A|CSCA086715|EINECS 249-421-3|Endurance|EPA Pesticide Chemical Code 110201|Kusablock|N(sup 3),N(sup 3)-Dipropyl-2,4-dinitro-6-trifluoromethyl-m-phenylenediamine|N3,N3-Dipropyl-2,4-dinitro-6-trifluoromethyl-1,3-phenylenediamine|SAN 745H|SAN745H|Toluene-2,4-diamine, alpha,alpha,alpha-trifluoro-3,5-dinitro-N(sup 4),N(sup 4)-dipropyl-|UNII-IJI5J414Q6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034210
ARPathway2016 ARPathway2016_143 Prodiamine 29091-21-2 DTXSID1034210 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCN(CCC)C1=C(C(N)=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Prodiamine 29091-21-2|Prodiamine|1,3-Benzenediamine, 2,4-dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-|1,3-Benzenediamine, 2,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)-|1,3-Diamino-N1,N1-dipropyl-2,6-dinitro-4-trifluoromethylbenzene|2,4-Dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,4-Dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,6-Dinitro-N1,N1-dipropyl-4-trifluoromethyl-m-phenylenediamine|5-Dipropylamino-alpha,alpha,alpha-trifluoro-4,6-dinitro-o-toluidine|alpha,alpha,alpha-Trifluoro-3,5-dinitro-N4,N4-dipropyltoluene-2,4-diamine|Blockade|BRN 2181386|Caswell No. 727A|CSCA086715|EINECS 249-421-3|Endurance|EPA Pesticide Chemical Code 110201|Kusablock|N(sup 3),N(sup 3)-Dipropyl-2,4-dinitro-6-trifluoromethyl-m-phenylenediamine|N3,N3-Dipropyl-2,4-dinitro-6-trifluoromethyl-1,3-phenylenediamine|SAN 745H|SAN745H|Toluene-2,4-diamine, alpha,alpha,alpha-trifluoro-3,5-dinitro-N(sup 4),N(sup 4)-dipropyl-|UNII-IJI5J414Q6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034210
ARPathway2016 ARPathway2016_143 Prodiamine 29091-21-2 DTXSID1034210 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCN(CCC)C1=C(C(N)=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Prodiamine 29091-21-2|Prodiamine|1,3-Benzenediamine, 2,4-dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-|1,3-Benzenediamine, 2,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)-|1,3-Diamino-N1,N1-dipropyl-2,6-dinitro-4-trifluoromethylbenzene|2,4-Dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,4-Dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,6-Dinitro-N1,N1-dipropyl-4-trifluoromethyl-m-phenylenediamine|5-Dipropylamino-alpha,alpha,alpha-trifluoro-4,6-dinitro-o-toluidine|alpha,alpha,alpha-Trifluoro-3,5-dinitro-N4,N4-dipropyltoluene-2,4-diamine|Blockade|BRN 2181386|Caswell No. 727A|CSCA086715|EINECS 249-421-3|Endurance|EPA Pesticide Chemical Code 110201|Kusablock|N(sup 3),N(sup 3)-Dipropyl-2,4-dinitro-6-trifluoromethyl-m-phenylenediamine|N3,N3-Dipropyl-2,4-dinitro-6-trifluoromethyl-1,3-phenylenediamine|SAN 745H|SAN745H|Toluene-2,4-diamine, alpha,alpha,alpha-trifluoro-3,5-dinitro-N(sup 4),N(sup 4)-dipropyl-|UNII-IJI5J414Q6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034210
ARPathway2016 ARPathway2016_143 Prodiamine 29091-21-2 DTXSID1034210 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCN(CCC)C1=C(C(N)=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Prodiamine 29091-21-2|Prodiamine|1,3-Benzenediamine, 2,4-dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-|1,3-Benzenediamine, 2,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)-|1,3-Diamino-N1,N1-dipropyl-2,6-dinitro-4-trifluoromethylbenzene|2,4-Dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,4-Dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,6-Dinitro-N1,N1-dipropyl-4-trifluoromethyl-m-phenylenediamine|5-Dipropylamino-alpha,alpha,alpha-trifluoro-4,6-dinitro-o-toluidine|alpha,alpha,alpha-Trifluoro-3,5-dinitro-N4,N4-dipropyltoluene-2,4-diamine|Blockade|BRN 2181386|Caswell No. 727A|CSCA086715|EINECS 249-421-3|Endurance|EPA Pesticide Chemical Code 110201|Kusablock|N(sup 3),N(sup 3)-Dipropyl-2,4-dinitro-6-trifluoromethyl-m-phenylenediamine|N3,N3-Dipropyl-2,4-dinitro-6-trifluoromethyl-1,3-phenylenediamine|SAN 745H|SAN745H|Toluene-2,4-diamine, alpha,alpha,alpha-trifluoro-3,5-dinitro-N(sup 4),N(sup 4)-dipropyl-|UNII-IJI5J414Q6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034210
ERPathway2016 ERPathway2016_26 Prodiamine 29091-21-2 DTXSID1034210 ER Pathway Model, Agonist AC50 3.38148026474059 uM CCCN(CCC)C1=C(C(N)=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Prodiamine 29091-21-2|Prodiamine|1,3-Benzenediamine, 2,4-dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-|1,3-Benzenediamine, 2,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)-|1,3-Diamino-N1,N1-dipropyl-2,6-dinitro-4-trifluoromethylbenzene|2,4-Dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,4-Dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,6-Dinitro-N1,N1-dipropyl-4-trifluoromethyl-m-phenylenediamine|5-Dipropylamino-alpha,alpha,alpha-trifluoro-4,6-dinitro-o-toluidine|alpha,alpha,alpha-Trifluoro-3,5-dinitro-N4,N4-dipropyltoluene-2,4-diamine|Blockade|BRN 2181386|Caswell No. 727A|CSCA086715|EINECS 249-421-3|Endurance|EPA Pesticide Chemical Code 110201|Kusablock|N(sup 3),N(sup 3)-Dipropyl-2,4-dinitro-6-trifluoromethyl-m-phenylenediamine|N3,N3-Dipropyl-2,4-dinitro-6-trifluoromethyl-1,3-phenylenediamine|SAN 745H|SAN745H|Toluene-2,4-diamine, alpha,alpha,alpha-trifluoro-3,5-dinitro-N(sup 4),N(sup 4)-dipropyl-|UNII-IJI5J414Q6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034210
ERPathway2016 ERPathway2016_26 Prodiamine 29091-21-2 DTXSID1034210 ER Pathway Model, Agonist ACC 4.96260341873301 uM CCCN(CCC)C1=C(C(N)=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Prodiamine 29091-21-2|Prodiamine|1,3-Benzenediamine, 2,4-dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-|1,3-Benzenediamine, 2,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)-|1,3-Diamino-N1,N1-dipropyl-2,6-dinitro-4-trifluoromethylbenzene|2,4-Dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,4-Dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,6-Dinitro-N1,N1-dipropyl-4-trifluoromethyl-m-phenylenediamine|5-Dipropylamino-alpha,alpha,alpha-trifluoro-4,6-dinitro-o-toluidine|alpha,alpha,alpha-Trifluoro-3,5-dinitro-N4,N4-dipropyltoluene-2,4-diamine|Blockade|BRN 2181386|Caswell No. 727A|CSCA086715|EINECS 249-421-3|Endurance|EPA Pesticide Chemical Code 110201|Kusablock|N(sup 3),N(sup 3)-Dipropyl-2,4-dinitro-6-trifluoromethyl-m-phenylenediamine|N3,N3-Dipropyl-2,4-dinitro-6-trifluoromethyl-1,3-phenylenediamine|SAN 745H|SAN745H|Toluene-2,4-diamine, alpha,alpha,alpha-trifluoro-3,5-dinitro-N(sup 4),N(sup 4)-dipropyl-|UNII-IJI5J414Q6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034210
ERPathway2016 ERPathway2016_26 Prodiamine 29091-21-2 DTXSID1034210 ER Pathway Model, Agonist Model Score 0.00775 Unitless CCCN(CCC)C1=C(C(N)=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Prodiamine 29091-21-2|Prodiamine|1,3-Benzenediamine, 2,4-dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-|1,3-Benzenediamine, 2,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)-|1,3-Diamino-N1,N1-dipropyl-2,6-dinitro-4-trifluoromethylbenzene|2,4-Dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,4-Dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,6-Dinitro-N1,N1-dipropyl-4-trifluoromethyl-m-phenylenediamine|5-Dipropylamino-alpha,alpha,alpha-trifluoro-4,6-dinitro-o-toluidine|alpha,alpha,alpha-Trifluoro-3,5-dinitro-N4,N4-dipropyltoluene-2,4-diamine|Blockade|BRN 2181386|Caswell No. 727A|CSCA086715|EINECS 249-421-3|Endurance|EPA Pesticide Chemical Code 110201|Kusablock|N(sup 3),N(sup 3)-Dipropyl-2,4-dinitro-6-trifluoromethyl-m-phenylenediamine|N3,N3-Dipropyl-2,4-dinitro-6-trifluoromethyl-1,3-phenylenediamine|SAN 745H|SAN745H|Toluene-2,4-diamine, alpha,alpha,alpha-trifluoro-3,5-dinitro-N(sup 4),N(sup 4)-dipropyl-|UNII-IJI5J414Q6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034210
ERPathway2016 ERPathway2016_26 Prodiamine 29091-21-2 DTXSID1034210 ER Pathway Model, Antagonist Model Score 0.0823 Unitless CCCN(CCC)C1=C(C(N)=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Prodiamine 29091-21-2|Prodiamine|1,3-Benzenediamine, 2,4-dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-|1,3-Benzenediamine, 2,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)-|1,3-Diamino-N1,N1-dipropyl-2,6-dinitro-4-trifluoromethylbenzene|2,4-Dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,4-Dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,6-Dinitro-N1,N1-dipropyl-4-trifluoromethyl-m-phenylenediamine|5-Dipropylamino-alpha,alpha,alpha-trifluoro-4,6-dinitro-o-toluidine|alpha,alpha,alpha-Trifluoro-3,5-dinitro-N4,N4-dipropyltoluene-2,4-diamine|Blockade|BRN 2181386|Caswell No. 727A|CSCA086715|EINECS 249-421-3|Endurance|EPA Pesticide Chemical Code 110201|Kusablock|N(sup 3),N(sup 3)-Dipropyl-2,4-dinitro-6-trifluoromethyl-m-phenylenediamine|N3,N3-Dipropyl-2,4-dinitro-6-trifluoromethyl-1,3-phenylenediamine|SAN 745H|SAN745H|Toluene-2,4-diamine, alpha,alpha,alpha-trifluoro-3,5-dinitro-N(sup 4),N(sup 4)-dipropyl-|UNII-IJI5J414Q6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034210
ERPathway2016 ERPathway2016_26 Prodiamine 29091-21-2 DTXSID1034210 ER Pathway Model, Agonist Call Active Unitless CCCN(CCC)C1=C(C(N)=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Prodiamine 29091-21-2|Prodiamine|1,3-Benzenediamine, 2,4-dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-|1,3-Benzenediamine, 2,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)-|1,3-Diamino-N1,N1-dipropyl-2,6-dinitro-4-trifluoromethylbenzene|2,4-Dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,4-Dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,6-Dinitro-N1,N1-dipropyl-4-trifluoromethyl-m-phenylenediamine|5-Dipropylamino-alpha,alpha,alpha-trifluoro-4,6-dinitro-o-toluidine|alpha,alpha,alpha-Trifluoro-3,5-dinitro-N4,N4-dipropyltoluene-2,4-diamine|Blockade|BRN 2181386|Caswell No. 727A|CSCA086715|EINECS 249-421-3|Endurance|EPA Pesticide Chemical Code 110201|Kusablock|N(sup 3),N(sup 3)-Dipropyl-2,4-dinitro-6-trifluoromethyl-m-phenylenediamine|N3,N3-Dipropyl-2,4-dinitro-6-trifluoromethyl-1,3-phenylenediamine|SAN 745H|SAN745H|Toluene-2,4-diamine, alpha,alpha,alpha-trifluoro-3,5-dinitro-N(sup 4),N(sup 4)-dipropyl-|UNII-IJI5J414Q6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034210
ERPathway2016 ERPathway2016_26 Prodiamine 29091-21-2 DTXSID1034210 ER Pathway Model, Antagonist Call Inactive Unitless CCCN(CCC)C1=C(C(N)=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Prodiamine 29091-21-2|Prodiamine|1,3-Benzenediamine, 2,4-dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-|1,3-Benzenediamine, 2,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)-|1,3-Diamino-N1,N1-dipropyl-2,6-dinitro-4-trifluoromethylbenzene|2,4-Dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,4-Dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-1,3-benzenediamine|2,6-Dinitro-N1,N1-dipropyl-4-trifluoromethyl-m-phenylenediamine|5-Dipropylamino-alpha,alpha,alpha-trifluoro-4,6-dinitro-o-toluidine|alpha,alpha,alpha-Trifluoro-3,5-dinitro-N4,N4-dipropyltoluene-2,4-diamine|Blockade|BRN 2181386|Caswell No. 727A|CSCA086715|EINECS 249-421-3|Endurance|EPA Pesticide Chemical Code 110201|Kusablock|N(sup 3),N(sup 3)-Dipropyl-2,4-dinitro-6-trifluoromethyl-m-phenylenediamine|N3,N3-Dipropyl-2,4-dinitro-6-trifluoromethyl-1,3-phenylenediamine|SAN 745H|SAN745H|Toluene-2,4-diamine, alpha,alpha,alpha-trifluoro-3,5-dinitro-N(sup 4),N(sup 4)-dipropyl-|UNII-IJI5J414Q6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034210
ARPathway2016 ARPathway2016_171 Profenofos 41198-08-7 DTXSID3032464 FLAG: Wrong direction (Hit/No hit) 0.0 A10 AR Pathway Model, Agonist AC50 36.783092774838 uM CCCSP(=O)(OCC)OC1=C(Cl)C=C(Br)C=C1 Profenofos 41198-08-7|Profenofos|Calofos|Caswell No. 266AA|Curacron|EINECS 255-255-2|EPA Pesticide Chemical Code 111401|O-(4-Brom-2-chlorphenyl)-O-ethyl-S-propylthiophosphat|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate|O-(4-Bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothionate|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl thiophosphate|O-(4-Bromo-2-chlorophenyl)-O-ethyl-S-propyl phosphorothioate|O-AETHYL-O-(4-BROM-2-CHLOR-PHENYL)-S-PROPYL-THIOPHOSPHAT|O-Ethyl S-propyl O-(2-chloro-4-bromophenyl)thiophosphate|O-Ethyl-S-n-propyl-O-(2-chloro-4-bromophenyl)thiophosphate|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)-O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)O-ethylS-propyl ester|Polycron|Profenophos|Prowess|Selecron|thiophosphate de O-(4-bromo-2-chlorophenyle) de O-ethyle et de S-propyle|tiofosfato de O-(4-bromo-2-clorofenilo) de O-etilo y S-propilo|UNII-7J04O7BS4W|61230-42-0|61287-51-2|92760-41-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032464
ARPathway2016 ARPathway2016_171 Profenofos 41198-08-7 DTXSID3032464 FLAG: Wrong direction (Hit/No hit) 0.0 A10 AR Pathway Model, Agonist ACC 45.4846083406455 uM CCCSP(=O)(OCC)OC1=C(Cl)C=C(Br)C=C1 Profenofos 41198-08-7|Profenofos|Calofos|Caswell No. 266AA|Curacron|EINECS 255-255-2|EPA Pesticide Chemical Code 111401|O-(4-Brom-2-chlorphenyl)-O-ethyl-S-propylthiophosphat|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate|O-(4-Bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothionate|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl thiophosphate|O-(4-Bromo-2-chlorophenyl)-O-ethyl-S-propyl phosphorothioate|O-AETHYL-O-(4-BROM-2-CHLOR-PHENYL)-S-PROPYL-THIOPHOSPHAT|O-Ethyl S-propyl O-(2-chloro-4-bromophenyl)thiophosphate|O-Ethyl-S-n-propyl-O-(2-chloro-4-bromophenyl)thiophosphate|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)-O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)O-ethylS-propyl ester|Polycron|Profenophos|Prowess|Selecron|thiophosphate de O-(4-bromo-2-chlorophenyle) de O-ethyle et de S-propyle|tiofosfato de O-(4-bromo-2-clorofenilo) de O-etilo y S-propilo|UNII-7J04O7BS4W|61230-42-0|61287-51-2|92760-41-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032464
ARPathway2016 ARPathway2016_171 Profenofos 41198-08-7 DTXSID3032464 FLAG: Wrong direction (Hit/No hit) 0.0 A10 AR Pathway Model, Antagonist Model Score 0.0229 Unitless CCCSP(=O)(OCC)OC1=C(Cl)C=C(Br)C=C1 Profenofos 41198-08-7|Profenofos|Calofos|Caswell No. 266AA|Curacron|EINECS 255-255-2|EPA Pesticide Chemical Code 111401|O-(4-Brom-2-chlorphenyl)-O-ethyl-S-propylthiophosphat|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate|O-(4-Bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothionate|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl thiophosphate|O-(4-Bromo-2-chlorophenyl)-O-ethyl-S-propyl phosphorothioate|O-AETHYL-O-(4-BROM-2-CHLOR-PHENYL)-S-PROPYL-THIOPHOSPHAT|O-Ethyl S-propyl O-(2-chloro-4-bromophenyl)thiophosphate|O-Ethyl-S-n-propyl-O-(2-chloro-4-bromophenyl)thiophosphate|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)-O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)O-ethylS-propyl ester|Polycron|Profenophos|Prowess|Selecron|thiophosphate de O-(4-bromo-2-chlorophenyle) de O-ethyle et de S-propyle|tiofosfato de O-(4-bromo-2-clorofenilo) de O-etilo y S-propilo|UNII-7J04O7BS4W|61230-42-0|61287-51-2|92760-41-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032464
ARPathway2016 ARPathway2016_171 Profenofos 41198-08-7 DTXSID3032464 FLAG: Wrong direction (Hit/No hit) 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CCCSP(=O)(OCC)OC1=C(Cl)C=C(Br)C=C1 Profenofos 41198-08-7|Profenofos|Calofos|Caswell No. 266AA|Curacron|EINECS 255-255-2|EPA Pesticide Chemical Code 111401|O-(4-Brom-2-chlorphenyl)-O-ethyl-S-propylthiophosphat|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate|O-(4-Bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothionate|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl thiophosphate|O-(4-Bromo-2-chlorophenyl)-O-ethyl-S-propyl phosphorothioate|O-AETHYL-O-(4-BROM-2-CHLOR-PHENYL)-S-PROPYL-THIOPHOSPHAT|O-Ethyl S-propyl O-(2-chloro-4-bromophenyl)thiophosphate|O-Ethyl-S-n-propyl-O-(2-chloro-4-bromophenyl)thiophosphate|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)-O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)O-ethylS-propyl ester|Polycron|Profenophos|Prowess|Selecron|thiophosphate de O-(4-bromo-2-chlorophenyle) de O-ethyle et de S-propyle|tiofosfato de O-(4-bromo-2-clorofenilo) de O-etilo y S-propilo|UNII-7J04O7BS4W|61230-42-0|61287-51-2|92760-41-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032464
ARPathway2016 ARPathway2016_171 Profenofos 41198-08-7 DTXSID3032464 FLAG: Wrong direction (Hit/No hit) 0.0 A10 AR Pathway Model, Agonist Call Active Unitless CCCSP(=O)(OCC)OC1=C(Cl)C=C(Br)C=C1 Profenofos 41198-08-7|Profenofos|Calofos|Caswell No. 266AA|Curacron|EINECS 255-255-2|EPA Pesticide Chemical Code 111401|O-(4-Brom-2-chlorphenyl)-O-ethyl-S-propylthiophosphat|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate|O-(4-Bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothionate|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl thiophosphate|O-(4-Bromo-2-chlorophenyl)-O-ethyl-S-propyl phosphorothioate|O-AETHYL-O-(4-BROM-2-CHLOR-PHENYL)-S-PROPYL-THIOPHOSPHAT|O-Ethyl S-propyl O-(2-chloro-4-bromophenyl)thiophosphate|O-Ethyl-S-n-propyl-O-(2-chloro-4-bromophenyl)thiophosphate|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)-O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)O-ethylS-propyl ester|Polycron|Profenophos|Prowess|Selecron|thiophosphate de O-(4-bromo-2-chlorophenyle) de O-ethyle et de S-propyle|tiofosfato de O-(4-bromo-2-clorofenilo) de O-etilo y S-propilo|UNII-7J04O7BS4W|61230-42-0|61287-51-2|92760-41-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032464
ARPathway2016 ARPathway2016_171 Profenofos 41198-08-7 DTXSID3032464 FLAG: Wrong direction (Hit/No hit) 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CCCSP(=O)(OCC)OC1=C(Cl)C=C(Br)C=C1 Profenofos 41198-08-7|Profenofos|Calofos|Caswell No. 266AA|Curacron|EINECS 255-255-2|EPA Pesticide Chemical Code 111401|O-(4-Brom-2-chlorphenyl)-O-ethyl-S-propylthiophosphat|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate|O-(4-Bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothionate|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl thiophosphate|O-(4-Bromo-2-chlorophenyl)-O-ethyl-S-propyl phosphorothioate|O-AETHYL-O-(4-BROM-2-CHLOR-PHENYL)-S-PROPYL-THIOPHOSPHAT|O-Ethyl S-propyl O-(2-chloro-4-bromophenyl)thiophosphate|O-Ethyl-S-n-propyl-O-(2-chloro-4-bromophenyl)thiophosphate|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)-O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)O-ethylS-propyl ester|Polycron|Profenophos|Prowess|Selecron|thiophosphate de O-(4-bromo-2-chlorophenyle) de O-ethyle et de S-propyle|tiofosfato de O-(4-bromo-2-clorofenilo) de O-etilo y S-propilo|UNII-7J04O7BS4W|61230-42-0|61287-51-2|92760-41-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032464
ERPathway2016 ERPathway2016_50 Profenofos 41198-08-7 DTXSID3032464 ER Pathway Model, Agonist AC50 16.6583592510732 uM CCCSP(=O)(OCC)OC1=C(Cl)C=C(Br)C=C1 Profenofos 41198-08-7|Profenofos|Calofos|Caswell No. 266AA|Curacron|EINECS 255-255-2|EPA Pesticide Chemical Code 111401|O-(4-Brom-2-chlorphenyl)-O-ethyl-S-propylthiophosphat|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate|O-(4-Bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothionate|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl thiophosphate|O-(4-Bromo-2-chlorophenyl)-O-ethyl-S-propyl phosphorothioate|O-AETHYL-O-(4-BROM-2-CHLOR-PHENYL)-S-PROPYL-THIOPHOSPHAT|O-Ethyl S-propyl O-(2-chloro-4-bromophenyl)thiophosphate|O-Ethyl-S-n-propyl-O-(2-chloro-4-bromophenyl)thiophosphate|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)-O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)O-ethylS-propyl ester|Polycron|Profenophos|Prowess|Selecron|thiophosphate de O-(4-bromo-2-chlorophenyle) de O-ethyle et de S-propyle|tiofosfato de O-(4-bromo-2-clorofenilo) de O-etilo y S-propilo|UNII-7J04O7BS4W|61230-42-0|61287-51-2|92760-41-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032464
ERPathway2016 ERPathway2016_50 Profenofos 41198-08-7 DTXSID3032464 ER Pathway Model, Agonist ACC 23.5452868671391 uM CCCSP(=O)(OCC)OC1=C(Cl)C=C(Br)C=C1 Profenofos 41198-08-7|Profenofos|Calofos|Caswell No. 266AA|Curacron|EINECS 255-255-2|EPA Pesticide Chemical Code 111401|O-(4-Brom-2-chlorphenyl)-O-ethyl-S-propylthiophosphat|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate|O-(4-Bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothionate|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl thiophosphate|O-(4-Bromo-2-chlorophenyl)-O-ethyl-S-propyl phosphorothioate|O-AETHYL-O-(4-BROM-2-CHLOR-PHENYL)-S-PROPYL-THIOPHOSPHAT|O-Ethyl S-propyl O-(2-chloro-4-bromophenyl)thiophosphate|O-Ethyl-S-n-propyl-O-(2-chloro-4-bromophenyl)thiophosphate|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)-O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)O-ethylS-propyl ester|Polycron|Profenophos|Prowess|Selecron|thiophosphate de O-(4-bromo-2-chlorophenyle) de O-ethyle et de S-propyle|tiofosfato de O-(4-bromo-2-clorofenilo) de O-etilo y S-propilo|UNII-7J04O7BS4W|61230-42-0|61287-51-2|92760-41-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032464
ERPathway2016 ERPathway2016_50 Profenofos 41198-08-7 DTXSID3032464 ER Pathway Model, Agonist Model Score 0.0025 Unitless CCCSP(=O)(OCC)OC1=C(Cl)C=C(Br)C=C1 Profenofos 41198-08-7|Profenofos|Calofos|Caswell No. 266AA|Curacron|EINECS 255-255-2|EPA Pesticide Chemical Code 111401|O-(4-Brom-2-chlorphenyl)-O-ethyl-S-propylthiophosphat|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate|O-(4-Bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothionate|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl thiophosphate|O-(4-Bromo-2-chlorophenyl)-O-ethyl-S-propyl phosphorothioate|O-AETHYL-O-(4-BROM-2-CHLOR-PHENYL)-S-PROPYL-THIOPHOSPHAT|O-Ethyl S-propyl O-(2-chloro-4-bromophenyl)thiophosphate|O-Ethyl-S-n-propyl-O-(2-chloro-4-bromophenyl)thiophosphate|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)-O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)O-ethylS-propyl ester|Polycron|Profenophos|Prowess|Selecron|thiophosphate de O-(4-bromo-2-chlorophenyle) de O-ethyle et de S-propyle|tiofosfato de O-(4-bromo-2-clorofenilo) de O-etilo y S-propilo|UNII-7J04O7BS4W|61230-42-0|61287-51-2|92760-41-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032464
ERPathway2016 ERPathway2016_50 Profenofos 41198-08-7 DTXSID3032464 ER Pathway Model, Antagonist Model Score 0.00658 Unitless CCCSP(=O)(OCC)OC1=C(Cl)C=C(Br)C=C1 Profenofos 41198-08-7|Profenofos|Calofos|Caswell No. 266AA|Curacron|EINECS 255-255-2|EPA Pesticide Chemical Code 111401|O-(4-Brom-2-chlorphenyl)-O-ethyl-S-propylthiophosphat|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate|O-(4-Bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothionate|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl thiophosphate|O-(4-Bromo-2-chlorophenyl)-O-ethyl-S-propyl phosphorothioate|O-AETHYL-O-(4-BROM-2-CHLOR-PHENYL)-S-PROPYL-THIOPHOSPHAT|O-Ethyl S-propyl O-(2-chloro-4-bromophenyl)thiophosphate|O-Ethyl-S-n-propyl-O-(2-chloro-4-bromophenyl)thiophosphate|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)-O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)O-ethylS-propyl ester|Polycron|Profenophos|Prowess|Selecron|thiophosphate de O-(4-bromo-2-chlorophenyle) de O-ethyle et de S-propyle|tiofosfato de O-(4-bromo-2-clorofenilo) de O-etilo y S-propilo|UNII-7J04O7BS4W|61230-42-0|61287-51-2|92760-41-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032464
ERPathway2016 ERPathway2016_50 Profenofos 41198-08-7 DTXSID3032464 ER Pathway Model, Agonist Call Active Unitless CCCSP(=O)(OCC)OC1=C(Cl)C=C(Br)C=C1 Profenofos 41198-08-7|Profenofos|Calofos|Caswell No. 266AA|Curacron|EINECS 255-255-2|EPA Pesticide Chemical Code 111401|O-(4-Brom-2-chlorphenyl)-O-ethyl-S-propylthiophosphat|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate|O-(4-Bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothionate|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl thiophosphate|O-(4-Bromo-2-chlorophenyl)-O-ethyl-S-propyl phosphorothioate|O-AETHYL-O-(4-BROM-2-CHLOR-PHENYL)-S-PROPYL-THIOPHOSPHAT|O-Ethyl S-propyl O-(2-chloro-4-bromophenyl)thiophosphate|O-Ethyl-S-n-propyl-O-(2-chloro-4-bromophenyl)thiophosphate|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)-O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)O-ethylS-propyl ester|Polycron|Profenophos|Prowess|Selecron|thiophosphate de O-(4-bromo-2-chlorophenyle) de O-ethyle et de S-propyle|tiofosfato de O-(4-bromo-2-clorofenilo) de O-etilo y S-propilo|UNII-7J04O7BS4W|61230-42-0|61287-51-2|92760-41-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032464
ERPathway2016 ERPathway2016_50 Profenofos 41198-08-7 DTXSID3032464 ER Pathway Model, Antagonist Call Inactive Unitless CCCSP(=O)(OCC)OC1=C(Cl)C=C(Br)C=C1 Profenofos 41198-08-7|Profenofos|Calofos|Caswell No. 266AA|Curacron|EINECS 255-255-2|EPA Pesticide Chemical Code 111401|O-(4-Brom-2-chlorphenyl)-O-ethyl-S-propylthiophosphat|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate|O-(4-Bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothionate|O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl thiophosphate|O-(4-Bromo-2-chlorophenyl)-O-ethyl-S-propyl phosphorothioate|O-AETHYL-O-(4-BROM-2-CHLOR-PHENYL)-S-PROPYL-THIOPHOSPHAT|O-Ethyl S-propyl O-(2-chloro-4-bromophenyl)thiophosphate|O-Ethyl-S-n-propyl-O-(2-chloro-4-bromophenyl)thiophosphate|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)-O-ethyl S-propyl ester|Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)O-ethylS-propyl ester|Polycron|Profenophos|Prowess|Selecron|thiophosphate de O-(4-bromo-2-chlorophenyle) de O-ethyle et de S-propyle|tiofosfato de O-(4-bromo-2-clorofenilo) de O-etilo y S-propilo|UNII-7J04O7BS4W|61230-42-0|61287-51-2|92760-41-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3032464
ARPathway2016 ARPathway2016_372 Progesterone 57-83-0 DTXSID3022370 FLAG: Antagonist shift, but CI overlap 2.0 Agonist AR Pathway Model, Antagonist ACC 0.0388132487282336 uM [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Progesterone 57-83-0|Progesterone|(1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|17a-Progesterone|17alpha-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione|17alpha-progesterone|3,20-Pregnene-4|4-Pregnen-3,20-dione|4-Pregnene-3,20-dione|6alpha-Methylpregn-4-en-17alpha-ol-3,20-dione|Agolutin|Akrolutin|beta-Progesterone|Bio-luton|CIDR|Colprosterone|Corlutin|Corlutina|Corluvite|Corporin|Corpus luteum hormone|Crinone|Crinone progesterone gel|Curretab|Cyclogest|Cyclogesterin|D4-Pregnene-3,20-dione|Delalutin|Delta(4)-pregnene-3,20-dione|delta(Sup 4)-Pregnene-3,20-dione|Duraprogen|EINECS 200-350-6|Endometrin|Estima|Flavolutan|Fologenon|Gelbkoerperhormon|Gesterol|Gesterol 100|Gesterol 50|Gestiron|Gestone|Gestormone|Gestron|Glanducorpin|Gynlutin|Gynoluton|Gynolutone|Horm|2051138-40-8|257630-50-5|753497-20-0|8012-32-6|8023-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022370 https://doi.org/10.22427/NTP-DATA-DTXSID3022370
ARPathway2016 ARPathway2016_372 Progesterone 57-83-0 DTXSID3022370 FLAG: Antagonist shift, but CI overlap 2.0 Agonist AR Pathway Model, Antagonist AC50 0.144967638469244 uM [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Progesterone 57-83-0|Progesterone|(1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|17a-Progesterone|17alpha-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione|17alpha-progesterone|3,20-Pregnene-4|4-Pregnen-3,20-dione|4-Pregnene-3,20-dione|6alpha-Methylpregn-4-en-17alpha-ol-3,20-dione|Agolutin|Akrolutin|beta-Progesterone|Bio-luton|CIDR|Colprosterone|Corlutin|Corlutina|Corluvite|Corporin|Corpus luteum hormone|Crinone|Crinone progesterone gel|Curretab|Cyclogest|Cyclogesterin|D4-Pregnene-3,20-dione|Delalutin|Delta(4)-pregnene-3,20-dione|delta(Sup 4)-Pregnene-3,20-dione|Duraprogen|EINECS 200-350-6|Endometrin|Estima|Flavolutan|Fologenon|Gelbkoerperhormon|Gesterol|Gesterol 100|Gesterol 50|Gestiron|Gestone|Gestormone|Gestron|Glanducorpin|Gynlutin|Gynoluton|Gynolutone|Horm|2051138-40-8|257630-50-5|753497-20-0|8012-32-6|8023-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022370 https://doi.org/10.22427/NTP-DATA-DTXSID3022370
ARPathway2016 ARPathway2016_372 Progesterone 57-83-0 DTXSID3022370 FLAG: Antagonist shift, but CI overlap 2.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Progesterone 57-83-0|Progesterone|(1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|17a-Progesterone|17alpha-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione|17alpha-progesterone|3,20-Pregnene-4|4-Pregnen-3,20-dione|4-Pregnene-3,20-dione|6alpha-Methylpregn-4-en-17alpha-ol-3,20-dione|Agolutin|Akrolutin|beta-Progesterone|Bio-luton|CIDR|Colprosterone|Corlutin|Corlutina|Corluvite|Corporin|Corpus luteum hormone|Crinone|Crinone progesterone gel|Curretab|Cyclogest|Cyclogesterin|D4-Pregnene-3,20-dione|Delalutin|Delta(4)-pregnene-3,20-dione|delta(Sup 4)-Pregnene-3,20-dione|Duraprogen|EINECS 200-350-6|Endometrin|Estima|Flavolutan|Fologenon|Gelbkoerperhormon|Gesterol|Gesterol 100|Gesterol 50|Gestiron|Gestone|Gestormone|Gestron|Glanducorpin|Gynlutin|Gynoluton|Gynolutone|Horm|2051138-40-8|257630-50-5|753497-20-0|8012-32-6|8023-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022370 https://doi.org/10.22427/NTP-DATA-DTXSID3022370
ARPathway2016 ARPathway2016_372 Progesterone 57-83-0 DTXSID3022370 FLAG: Antagonist shift, but CI overlap 2.0 Agonist AR Pathway Model, Agonist Model Score 1.26 Unitless [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Progesterone 57-83-0|Progesterone|(1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|17a-Progesterone|17alpha-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione|17alpha-progesterone|3,20-Pregnene-4|4-Pregnen-3,20-dione|4-Pregnene-3,20-dione|6alpha-Methylpregn-4-en-17alpha-ol-3,20-dione|Agolutin|Akrolutin|beta-Progesterone|Bio-luton|CIDR|Colprosterone|Corlutin|Corlutina|Corluvite|Corporin|Corpus luteum hormone|Crinone|Crinone progesterone gel|Curretab|Cyclogest|Cyclogesterin|D4-Pregnene-3,20-dione|Delalutin|Delta(4)-pregnene-3,20-dione|delta(Sup 4)-Pregnene-3,20-dione|Duraprogen|EINECS 200-350-6|Endometrin|Estima|Flavolutan|Fologenon|Gelbkoerperhormon|Gesterol|Gesterol 100|Gesterol 50|Gestiron|Gestone|Gestormone|Gestron|Glanducorpin|Gynlutin|Gynoluton|Gynolutone|Horm|2051138-40-8|257630-50-5|753497-20-0|8012-32-6|8023-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022370 https://doi.org/10.22427/NTP-DATA-DTXSID3022370
ARPathway2016 ARPathway2016_372 Progesterone 57-83-0 DTXSID3022370 FLAG: Antagonist shift, but CI overlap 2.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Progesterone 57-83-0|Progesterone|(1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|17a-Progesterone|17alpha-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione|17alpha-progesterone|3,20-Pregnene-4|4-Pregnen-3,20-dione|4-Pregnene-3,20-dione|6alpha-Methylpregn-4-en-17alpha-ol-3,20-dione|Agolutin|Akrolutin|beta-Progesterone|Bio-luton|CIDR|Colprosterone|Corlutin|Corlutina|Corluvite|Corporin|Corpus luteum hormone|Crinone|Crinone progesterone gel|Curretab|Cyclogest|Cyclogesterin|D4-Pregnene-3,20-dione|Delalutin|Delta(4)-pregnene-3,20-dione|delta(Sup 4)-Pregnene-3,20-dione|Duraprogen|EINECS 200-350-6|Endometrin|Estima|Flavolutan|Fologenon|Gelbkoerperhormon|Gesterol|Gesterol 100|Gesterol 50|Gestiron|Gestone|Gestormone|Gestron|Glanducorpin|Gynlutin|Gynoluton|Gynolutone|Horm|2051138-40-8|257630-50-5|753497-20-0|8012-32-6|8023-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022370 https://doi.org/10.22427/NTP-DATA-DTXSID3022370
ARPathway2016 ARPathway2016_372 Progesterone 57-83-0 DTXSID3022370 FLAG: Antagonist shift, but CI overlap 2.0 Agonist AR Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Progesterone 57-83-0|Progesterone|(1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|17a-Progesterone|17alpha-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione|17alpha-progesterone|3,20-Pregnene-4|4-Pregnen-3,20-dione|4-Pregnene-3,20-dione|6alpha-Methylpregn-4-en-17alpha-ol-3,20-dione|Agolutin|Akrolutin|beta-Progesterone|Bio-luton|CIDR|Colprosterone|Corlutin|Corlutina|Corluvite|Corporin|Corpus luteum hormone|Crinone|Crinone progesterone gel|Curretab|Cyclogest|Cyclogesterin|D4-Pregnene-3,20-dione|Delalutin|Delta(4)-pregnene-3,20-dione|delta(Sup 4)-Pregnene-3,20-dione|Duraprogen|EINECS 200-350-6|Endometrin|Estima|Flavolutan|Fologenon|Gelbkoerperhormon|Gesterol|Gesterol 100|Gesterol 50|Gestiron|Gestone|Gestormone|Gestron|Glanducorpin|Gynlutin|Gynoluton|Gynolutone|Horm|2051138-40-8|257630-50-5|753497-20-0|8012-32-6|8023-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022370 https://doi.org/10.22427/NTP-DATA-DTXSID3022370
ERPathway2016 ERPathway2016_276 Progesterone 57-83-0 DTXSID3022370 ER Pathway Model, Antagonist AC50 4.11784300763846 uM [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Progesterone 57-83-0|Progesterone|(1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|17a-Progesterone|17alpha-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione|17alpha-progesterone|3,20-Pregnene-4|4-Pregnen-3,20-dione|4-Pregnene-3,20-dione|6alpha-Methylpregn-4-en-17alpha-ol-3,20-dione|Agolutin|Akrolutin|beta-Progesterone|Bio-luton|CIDR|Colprosterone|Corlutin|Corlutina|Corluvite|Corporin|Corpus luteum hormone|Crinone|Crinone progesterone gel|Curretab|Cyclogest|Cyclogesterin|D4-Pregnene-3,20-dione|Delalutin|Delta(4)-pregnene-3,20-dione|delta(Sup 4)-Pregnene-3,20-dione|Duraprogen|EINECS 200-350-6|Endometrin|Estima|Flavolutan|Fologenon|Gelbkoerperhormon|Gesterol|Gesterol 100|Gesterol 50|Gestiron|Gestone|Gestormone|Gestron|Glanducorpin|Gynlutin|Gynoluton|Gynolutone|Horm|2051138-40-8|257630-50-5|753497-20-0|8012-32-6|8023-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022370 https://doi.org/10.22427/NTP-DATA-DTXSID3022370
ERPathway2016 ERPathway2016_276 Progesterone 57-83-0 DTXSID3022370 ER Pathway Model, Antagonist ACC 3.41540906096835 uM [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Progesterone 57-83-0|Progesterone|(1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|17a-Progesterone|17alpha-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione|17alpha-progesterone|3,20-Pregnene-4|4-Pregnen-3,20-dione|4-Pregnene-3,20-dione|6alpha-Methylpregn-4-en-17alpha-ol-3,20-dione|Agolutin|Akrolutin|beta-Progesterone|Bio-luton|CIDR|Colprosterone|Corlutin|Corlutina|Corluvite|Corporin|Corpus luteum hormone|Crinone|Crinone progesterone gel|Curretab|Cyclogest|Cyclogesterin|D4-Pregnene-3,20-dione|Delalutin|Delta(4)-pregnene-3,20-dione|delta(Sup 4)-Pregnene-3,20-dione|Duraprogen|EINECS 200-350-6|Endometrin|Estima|Flavolutan|Fologenon|Gelbkoerperhormon|Gesterol|Gesterol 100|Gesterol 50|Gestiron|Gestone|Gestormone|Gestron|Glanducorpin|Gynlutin|Gynoluton|Gynolutone|Horm|2051138-40-8|257630-50-5|753497-20-0|8012-32-6|8023-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022370 https://doi.org/10.22427/NTP-DATA-DTXSID3022370
ERPathway2016 ERPathway2016_276 Progesterone 57-83-0 DTXSID3022370 ER Pathway Model, Agonist Model Score 0.0507 Unitless [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Progesterone 57-83-0|Progesterone|(1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|17a-Progesterone|17alpha-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione|17alpha-progesterone|3,20-Pregnene-4|4-Pregnen-3,20-dione|4-Pregnene-3,20-dione|6alpha-Methylpregn-4-en-17alpha-ol-3,20-dione|Agolutin|Akrolutin|beta-Progesterone|Bio-luton|CIDR|Colprosterone|Corlutin|Corlutina|Corluvite|Corporin|Corpus luteum hormone|Crinone|Crinone progesterone gel|Curretab|Cyclogest|Cyclogesterin|D4-Pregnene-3,20-dione|Delalutin|Delta(4)-pregnene-3,20-dione|delta(Sup 4)-Pregnene-3,20-dione|Duraprogen|EINECS 200-350-6|Endometrin|Estima|Flavolutan|Fologenon|Gelbkoerperhormon|Gesterol|Gesterol 100|Gesterol 50|Gestiron|Gestone|Gestormone|Gestron|Glanducorpin|Gynlutin|Gynoluton|Gynolutone|Horm|2051138-40-8|257630-50-5|753497-20-0|8012-32-6|8023-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022370 https://doi.org/10.22427/NTP-DATA-DTXSID3022370
ERPathway2016 ERPathway2016_276 Progesterone 57-83-0 DTXSID3022370 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Progesterone 57-83-0|Progesterone|(1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|17a-Progesterone|17alpha-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione|17alpha-progesterone|3,20-Pregnene-4|4-Pregnen-3,20-dione|4-Pregnene-3,20-dione|6alpha-Methylpregn-4-en-17alpha-ol-3,20-dione|Agolutin|Akrolutin|beta-Progesterone|Bio-luton|CIDR|Colprosterone|Corlutin|Corlutina|Corluvite|Corporin|Corpus luteum hormone|Crinone|Crinone progesterone gel|Curretab|Cyclogest|Cyclogesterin|D4-Pregnene-3,20-dione|Delalutin|Delta(4)-pregnene-3,20-dione|delta(Sup 4)-Pregnene-3,20-dione|Duraprogen|EINECS 200-350-6|Endometrin|Estima|Flavolutan|Fologenon|Gelbkoerperhormon|Gesterol|Gesterol 100|Gesterol 50|Gestiron|Gestone|Gestormone|Gestron|Glanducorpin|Gynlutin|Gynoluton|Gynolutone|Horm|2051138-40-8|257630-50-5|753497-20-0|8012-32-6|8023-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022370 https://doi.org/10.22427/NTP-DATA-DTXSID3022370
ERPathway2016 ERPathway2016_276 Progesterone 57-83-0 DTXSID3022370 ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Progesterone 57-83-0|Progesterone|(1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|17a-Progesterone|17alpha-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione|17alpha-progesterone|3,20-Pregnene-4|4-Pregnen-3,20-dione|4-Pregnene-3,20-dione|6alpha-Methylpregn-4-en-17alpha-ol-3,20-dione|Agolutin|Akrolutin|beta-Progesterone|Bio-luton|CIDR|Colprosterone|Corlutin|Corlutina|Corluvite|Corporin|Corpus luteum hormone|Crinone|Crinone progesterone gel|Curretab|Cyclogest|Cyclogesterin|D4-Pregnene-3,20-dione|Delalutin|Delta(4)-pregnene-3,20-dione|delta(Sup 4)-Pregnene-3,20-dione|Duraprogen|EINECS 200-350-6|Endometrin|Estima|Flavolutan|Fologenon|Gelbkoerperhormon|Gesterol|Gesterol 100|Gesterol 50|Gestiron|Gestone|Gestormone|Gestron|Glanducorpin|Gynlutin|Gynoluton|Gynolutone|Horm|2051138-40-8|257630-50-5|753497-20-0|8012-32-6|8023-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022370 https://doi.org/10.22427/NTP-DATA-DTXSID3022370
ERPathway2016 ERPathway2016_276 Progesterone 57-83-0 DTXSID3022370 ER Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Progesterone 57-83-0|Progesterone|(1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one|(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|17a-Progesterone|17alpha-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione|17alpha-progesterone|3,20-Pregnene-4|4-Pregnen-3,20-dione|4-Pregnene-3,20-dione|6alpha-Methylpregn-4-en-17alpha-ol-3,20-dione|Agolutin|Akrolutin|beta-Progesterone|Bio-luton|CIDR|Colprosterone|Corlutin|Corlutina|Corluvite|Corporin|Corpus luteum hormone|Crinone|Crinone progesterone gel|Curretab|Cyclogest|Cyclogesterin|D4-Pregnene-3,20-dione|Delalutin|Delta(4)-pregnene-3,20-dione|delta(Sup 4)-Pregnene-3,20-dione|Duraprogen|EINECS 200-350-6|Endometrin|Estima|Flavolutan|Fologenon|Gelbkoerperhormon|Gesterol|Gesterol 100|Gesterol 50|Gestiron|Gestone|Gestormone|Gestron|Glanducorpin|Gynlutin|Gynoluton|Gynolutone|Horm|2051138-40-8|257630-50-5|753497-20-0|8012-32-6|8023-13-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022370 https://doi.org/10.22427/NTP-DATA-DTXSID3022370
ARPathway2016 ARPathway2016_909 Prometon 1610-18-0 DTXSID6022341 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=NC(NC(C)C)=NC(NC(C)C)=N1 Prometon 1610-18-0|Prometon|1,3,5-Triazine-2,4-diamine, 6-methoxy-N,N'-bis(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-methoxy-N2,N4-bis(1-methylethyl)-|2-Methoxy-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methoxy-4,6-bis(isopropylamino)-s-triazine|2,4-Bis(isopropylamino)-6-methoxy-1,3,5-triazine|2,4-Bis(isopropylamino)-6-methoxy-s-triazine|2,4-Prometone|2,6-Diisopropylamino-4-methoxytriazine|4,6-Bis(isopropylamino)-2-methoxy-s-triazine|6-methoxy-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine|BRN 0613574|Caswell No. 096|EINECS 216-548-0|EPA Pesticide Chemical Code 080804|Gesafram|Gesafram 50|Methoxypropazine|N,N'-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diamine|N,N'-Diisopropyl-6-methoxy-1,3,5-triazine-2,4-diyldiamine|N2,N4-Di-isopropyl-6-methoxy-1,3,5-triazine-2,4-diamine|NSC 163048|Ontracic 800|Ontrack|Ontrack-we-2|Pramitol|Pramitol 5P|Primatol 25e|prometona|Prometone|s-Triazine, 2,4-bis(isopropylamino)-6-methoxy-|UNII-DY7SQ0399L|11126-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022341
ARPathway2016 ARPathway2016_909 Prometon 1610-18-0 DTXSID6022341 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=NC(NC(C)C)=NC(NC(C)C)=N1 Prometon 1610-18-0|Prometon|1,3,5-Triazine-2,4-diamine, 6-methoxy-N,N'-bis(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-methoxy-N2,N4-bis(1-methylethyl)-|2-Methoxy-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methoxy-4,6-bis(isopropylamino)-s-triazine|2,4-Bis(isopropylamino)-6-methoxy-1,3,5-triazine|2,4-Bis(isopropylamino)-6-methoxy-s-triazine|2,4-Prometone|2,6-Diisopropylamino-4-methoxytriazine|4,6-Bis(isopropylamino)-2-methoxy-s-triazine|6-methoxy-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine|BRN 0613574|Caswell No. 096|EINECS 216-548-0|EPA Pesticide Chemical Code 080804|Gesafram|Gesafram 50|Methoxypropazine|N,N'-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diamine|N,N'-Diisopropyl-6-methoxy-1,3,5-triazine-2,4-diyldiamine|N2,N4-Di-isopropyl-6-methoxy-1,3,5-triazine-2,4-diamine|NSC 163048|Ontracic 800|Ontrack|Ontrack-we-2|Pramitol|Pramitol 5P|Primatol 25e|prometona|Prometone|s-Triazine, 2,4-bis(isopropylamino)-6-methoxy-|UNII-DY7SQ0399L|11126-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022341
ARPathway2016 ARPathway2016_909 Prometon 1610-18-0 DTXSID6022341 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=NC(NC(C)C)=NC(NC(C)C)=N1 Prometon 1610-18-0|Prometon|1,3,5-Triazine-2,4-diamine, 6-methoxy-N,N'-bis(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-methoxy-N2,N4-bis(1-methylethyl)-|2-Methoxy-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methoxy-4,6-bis(isopropylamino)-s-triazine|2,4-Bis(isopropylamino)-6-methoxy-1,3,5-triazine|2,4-Bis(isopropylamino)-6-methoxy-s-triazine|2,4-Prometone|2,6-Diisopropylamino-4-methoxytriazine|4,6-Bis(isopropylamino)-2-methoxy-s-triazine|6-methoxy-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine|BRN 0613574|Caswell No. 096|EINECS 216-548-0|EPA Pesticide Chemical Code 080804|Gesafram|Gesafram 50|Methoxypropazine|N,N'-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diamine|N,N'-Diisopropyl-6-methoxy-1,3,5-triazine-2,4-diyldiamine|N2,N4-Di-isopropyl-6-methoxy-1,3,5-triazine-2,4-diamine|NSC 163048|Ontracic 800|Ontrack|Ontrack-we-2|Pramitol|Pramitol 5P|Primatol 25e|prometona|Prometone|s-Triazine, 2,4-bis(isopropylamino)-6-methoxy-|UNII-DY7SQ0399L|11126-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022341
ARPathway2016 ARPathway2016_909 Prometon 1610-18-0 DTXSID6022341 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=NC(NC(C)C)=NC(NC(C)C)=N1 Prometon 1610-18-0|Prometon|1,3,5-Triazine-2,4-diamine, 6-methoxy-N,N'-bis(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-methoxy-N2,N4-bis(1-methylethyl)-|2-Methoxy-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methoxy-4,6-bis(isopropylamino)-s-triazine|2,4-Bis(isopropylamino)-6-methoxy-1,3,5-triazine|2,4-Bis(isopropylamino)-6-methoxy-s-triazine|2,4-Prometone|2,6-Diisopropylamino-4-methoxytriazine|4,6-Bis(isopropylamino)-2-methoxy-s-triazine|6-methoxy-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine|BRN 0613574|Caswell No. 096|EINECS 216-548-0|EPA Pesticide Chemical Code 080804|Gesafram|Gesafram 50|Methoxypropazine|N,N'-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diamine|N,N'-Diisopropyl-6-methoxy-1,3,5-triazine-2,4-diyldiamine|N2,N4-Di-isopropyl-6-methoxy-1,3,5-triazine-2,4-diamine|NSC 163048|Ontracic 800|Ontrack|Ontrack-we-2|Pramitol|Pramitol 5P|Primatol 25e|prometona|Prometone|s-Triazine, 2,4-bis(isopropylamino)-6-methoxy-|UNII-DY7SQ0399L|11126-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022341
ERPathway2016 ERPathway2016_763 Prometon 1610-18-0 DTXSID6022341 R6 ER Pathway Model, Agonist Model Score 0 Unitless COC1=NC(NC(C)C)=NC(NC(C)C)=N1 Prometon 1610-18-0|Prometon|1,3,5-Triazine-2,4-diamine, 6-methoxy-N,N'-bis(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-methoxy-N2,N4-bis(1-methylethyl)-|2-Methoxy-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methoxy-4,6-bis(isopropylamino)-s-triazine|2,4-Bis(isopropylamino)-6-methoxy-1,3,5-triazine|2,4-Bis(isopropylamino)-6-methoxy-s-triazine|2,4-Prometone|2,6-Diisopropylamino-4-methoxytriazine|4,6-Bis(isopropylamino)-2-methoxy-s-triazine|6-methoxy-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine|BRN 0613574|Caswell No. 096|EINECS 216-548-0|EPA Pesticide Chemical Code 080804|Gesafram|Gesafram 50|Methoxypropazine|N,N'-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diamine|N,N'-Diisopropyl-6-methoxy-1,3,5-triazine-2,4-diyldiamine|N2,N4-Di-isopropyl-6-methoxy-1,3,5-triazine-2,4-diamine|NSC 163048|Ontracic 800|Ontrack|Ontrack-we-2|Pramitol|Pramitol 5P|Primatol 25e|prometona|Prometone|s-Triazine, 2,4-bis(isopropylamino)-6-methoxy-|UNII-DY7SQ0399L|11126-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022341
ERPathway2016 ERPathway2016_763 Prometon 1610-18-0 DTXSID6022341 R6 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=NC(NC(C)C)=NC(NC(C)C)=N1 Prometon 1610-18-0|Prometon|1,3,5-Triazine-2,4-diamine, 6-methoxy-N,N'-bis(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-methoxy-N2,N4-bis(1-methylethyl)-|2-Methoxy-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methoxy-4,6-bis(isopropylamino)-s-triazine|2,4-Bis(isopropylamino)-6-methoxy-1,3,5-triazine|2,4-Bis(isopropylamino)-6-methoxy-s-triazine|2,4-Prometone|2,6-Diisopropylamino-4-methoxytriazine|4,6-Bis(isopropylamino)-2-methoxy-s-triazine|6-methoxy-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine|BRN 0613574|Caswell No. 096|EINECS 216-548-0|EPA Pesticide Chemical Code 080804|Gesafram|Gesafram 50|Methoxypropazine|N,N'-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diamine|N,N'-Diisopropyl-6-methoxy-1,3,5-triazine-2,4-diyldiamine|N2,N4-Di-isopropyl-6-methoxy-1,3,5-triazine-2,4-diamine|NSC 163048|Ontracic 800|Ontrack|Ontrack-we-2|Pramitol|Pramitol 5P|Primatol 25e|prometona|Prometone|s-Triazine, 2,4-bis(isopropylamino)-6-methoxy-|UNII-DY7SQ0399L|11126-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022341
ERPathway2016 ERPathway2016_763 Prometon 1610-18-0 DTXSID6022341 R6 ER Pathway Model, Agonist Call Inactive Unitless COC1=NC(NC(C)C)=NC(NC(C)C)=N1 Prometon 1610-18-0|Prometon|1,3,5-Triazine-2,4-diamine, 6-methoxy-N,N'-bis(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-methoxy-N2,N4-bis(1-methylethyl)-|2-Methoxy-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methoxy-4,6-bis(isopropylamino)-s-triazine|2,4-Bis(isopropylamino)-6-methoxy-1,3,5-triazine|2,4-Bis(isopropylamino)-6-methoxy-s-triazine|2,4-Prometone|2,6-Diisopropylamino-4-methoxytriazine|4,6-Bis(isopropylamino)-2-methoxy-s-triazine|6-methoxy-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine|BRN 0613574|Caswell No. 096|EINECS 216-548-0|EPA Pesticide Chemical Code 080804|Gesafram|Gesafram 50|Methoxypropazine|N,N'-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diamine|N,N'-Diisopropyl-6-methoxy-1,3,5-triazine-2,4-diyldiamine|N2,N4-Di-isopropyl-6-methoxy-1,3,5-triazine-2,4-diamine|NSC 163048|Ontracic 800|Ontrack|Ontrack-we-2|Pramitol|Pramitol 5P|Primatol 25e|prometona|Prometone|s-Triazine, 2,4-bis(isopropylamino)-6-methoxy-|UNII-DY7SQ0399L|11126-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022341
ERPathway2016 ERPathway2016_763 Prometon 1610-18-0 DTXSID6022341 R6 ER Pathway Model, Antagonist Call Inactive Unitless COC1=NC(NC(C)C)=NC(NC(C)C)=N1 Prometon 1610-18-0|Prometon|1,3,5-Triazine-2,4-diamine, 6-methoxy-N,N'-bis(1-methylethyl)-|1,3,5-Triazine-2,4-diamine, 6-methoxy-N2,N4-bis(1-methylethyl)-|2-Methoxy-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methoxy-4,6-bis(isopropylamino)-s-triazine|2,4-Bis(isopropylamino)-6-methoxy-1,3,5-triazine|2,4-Bis(isopropylamino)-6-methoxy-s-triazine|2,4-Prometone|2,6-Diisopropylamino-4-methoxytriazine|4,6-Bis(isopropylamino)-2-methoxy-s-triazine|6-methoxy-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine|BRN 0613574|Caswell No. 096|EINECS 216-548-0|EPA Pesticide Chemical Code 080804|Gesafram|Gesafram 50|Methoxypropazine|N,N'-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diamine|N,N'-Diisopropyl-6-methoxy-1,3,5-triazine-2,4-diyldiamine|N2,N4-Di-isopropyl-6-methoxy-1,3,5-triazine-2,4-diamine|NSC 163048|Ontracic 800|Ontrack|Ontrack-we-2|Pramitol|Pramitol 5P|Primatol 25e|prometona|Prometone|s-Triazine, 2,4-bis(isopropylamino)-6-methoxy-|UNII-DY7SQ0399L|11126-75-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6022341
ARPathway2016 ARPathway2016_1516 Prometryn 7287-19-6 DTXSID4024272 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CSC1=NC(NC(C)C)=NC(NC(C)C)=N1 Prometryn 7287-19-6|Prometryn|1,3,5-Triazina-2,4-diamina, N2,N4-bis(1-metiletil)-6-(metiltio)-|1,3,5-Triazine-2,4-diamine, N,N'-bis(1-methylethyl)-6-(methylthio)-|1,3,5-Triazine-2,4-diamine, N2,N4-bis(1-methylethyl)-6-(methylthio)-|2-(methylthio)-4,6-bis(isopropylamino)-s-triazine|2-(Methylthio)-4,6-diisopropylamino-1,3,5-triazine|2-Methylmercapto-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methylmercapto-4,6-bis(isopropylamino)-s-triazine|2-Methylthio-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methylthio-4,6-bis(isopropylamino)-s-triazine|2-Methylthio-4,6-bis(isopropylamino)-sym-triazine|2,4-Bis(isopropylamino)-6-(methylthio)-s-triazine|2,4-Bis(isopropylamino)-6-methylmercapto-s-triazine|2,4-Bis(isopropylamino)-6-methylthio-1,3,5-triazine|2,4-Bis(isopropylamino)-6-methylthio-s-triazine|2,4-Bis(propylamino)-6-methylthio-1,3,5-triazin|4,6-Bis(isopropylamino)-2-(methylthio)-1,3,5-triazine|4,6-Bis(isopropylamino)-2-(methylthio)-s-triazine|Azogard|BRN 0613575|Caparol|Caparol 80W|Caswell No. 097|Cosatrin|Cotogard|EINECS 230-711-3|EPA Pesticide Chem|83653-07-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024272
ARPathway2016 ARPathway2016_1516 Prometryn 7287-19-6 DTXSID4024272 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CSC1=NC(NC(C)C)=NC(NC(C)C)=N1 Prometryn 7287-19-6|Prometryn|1,3,5-Triazina-2,4-diamina, N2,N4-bis(1-metiletil)-6-(metiltio)-|1,3,5-Triazine-2,4-diamine, N,N'-bis(1-methylethyl)-6-(methylthio)-|1,3,5-Triazine-2,4-diamine, N2,N4-bis(1-methylethyl)-6-(methylthio)-|2-(methylthio)-4,6-bis(isopropylamino)-s-triazine|2-(Methylthio)-4,6-diisopropylamino-1,3,5-triazine|2-Methylmercapto-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methylmercapto-4,6-bis(isopropylamino)-s-triazine|2-Methylthio-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methylthio-4,6-bis(isopropylamino)-s-triazine|2-Methylthio-4,6-bis(isopropylamino)-sym-triazine|2,4-Bis(isopropylamino)-6-(methylthio)-s-triazine|2,4-Bis(isopropylamino)-6-methylmercapto-s-triazine|2,4-Bis(isopropylamino)-6-methylthio-1,3,5-triazine|2,4-Bis(isopropylamino)-6-methylthio-s-triazine|2,4-Bis(propylamino)-6-methylthio-1,3,5-triazin|4,6-Bis(isopropylamino)-2-(methylthio)-1,3,5-triazine|4,6-Bis(isopropylamino)-2-(methylthio)-s-triazine|Azogard|BRN 0613575|Caparol|Caparol 80W|Caswell No. 097|Cosatrin|Cotogard|EINECS 230-711-3|EPA Pesticide Chem|83653-07-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024272
ARPathway2016 ARPathway2016_1516 Prometryn 7287-19-6 DTXSID4024272 0.0 AR Pathway Model, Agonist Call Inactive Unitless CSC1=NC(NC(C)C)=NC(NC(C)C)=N1 Prometryn 7287-19-6|Prometryn|1,3,5-Triazina-2,4-diamina, N2,N4-bis(1-metiletil)-6-(metiltio)-|1,3,5-Triazine-2,4-diamine, N,N'-bis(1-methylethyl)-6-(methylthio)-|1,3,5-Triazine-2,4-diamine, N2,N4-bis(1-methylethyl)-6-(methylthio)-|2-(methylthio)-4,6-bis(isopropylamino)-s-triazine|2-(Methylthio)-4,6-diisopropylamino-1,3,5-triazine|2-Methylmercapto-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methylmercapto-4,6-bis(isopropylamino)-s-triazine|2-Methylthio-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methylthio-4,6-bis(isopropylamino)-s-triazine|2-Methylthio-4,6-bis(isopropylamino)-sym-triazine|2,4-Bis(isopropylamino)-6-(methylthio)-s-triazine|2,4-Bis(isopropylamino)-6-methylmercapto-s-triazine|2,4-Bis(isopropylamino)-6-methylthio-1,3,5-triazine|2,4-Bis(isopropylamino)-6-methylthio-s-triazine|2,4-Bis(propylamino)-6-methylthio-1,3,5-triazin|4,6-Bis(isopropylamino)-2-(methylthio)-1,3,5-triazine|4,6-Bis(isopropylamino)-2-(methylthio)-s-triazine|Azogard|BRN 0613575|Caparol|Caparol 80W|Caswell No. 097|Cosatrin|Cotogard|EINECS 230-711-3|EPA Pesticide Chem|83653-07-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024272
ARPathway2016 ARPathway2016_1516 Prometryn 7287-19-6 DTXSID4024272 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CSC1=NC(NC(C)C)=NC(NC(C)C)=N1 Prometryn 7287-19-6|Prometryn|1,3,5-Triazina-2,4-diamina, N2,N4-bis(1-metiletil)-6-(metiltio)-|1,3,5-Triazine-2,4-diamine, N,N'-bis(1-methylethyl)-6-(methylthio)-|1,3,5-Triazine-2,4-diamine, N2,N4-bis(1-methylethyl)-6-(methylthio)-|2-(methylthio)-4,6-bis(isopropylamino)-s-triazine|2-(Methylthio)-4,6-diisopropylamino-1,3,5-triazine|2-Methylmercapto-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methylmercapto-4,6-bis(isopropylamino)-s-triazine|2-Methylthio-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methylthio-4,6-bis(isopropylamino)-s-triazine|2-Methylthio-4,6-bis(isopropylamino)-sym-triazine|2,4-Bis(isopropylamino)-6-(methylthio)-s-triazine|2,4-Bis(isopropylamino)-6-methylmercapto-s-triazine|2,4-Bis(isopropylamino)-6-methylthio-1,3,5-triazine|2,4-Bis(isopropylamino)-6-methylthio-s-triazine|2,4-Bis(propylamino)-6-methylthio-1,3,5-triazin|4,6-Bis(isopropylamino)-2-(methylthio)-1,3,5-triazine|4,6-Bis(isopropylamino)-2-(methylthio)-s-triazine|Azogard|BRN 0613575|Caparol|Caparol 80W|Caswell No. 097|Cosatrin|Cotogard|EINECS 230-711-3|EPA Pesticide Chem|83653-07-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024272
ERPathway2016 ERPathway2016_1627 Prometryn 7287-19-6 DTXSID4024272 ER Pathway Model, Agonist Model Score 0 Unitless CSC1=NC(NC(C)C)=NC(NC(C)C)=N1 Prometryn 7287-19-6|Prometryn|1,3,5-Triazina-2,4-diamina, N2,N4-bis(1-metiletil)-6-(metiltio)-|1,3,5-Triazine-2,4-diamine, N,N'-bis(1-methylethyl)-6-(methylthio)-|1,3,5-Triazine-2,4-diamine, N2,N4-bis(1-methylethyl)-6-(methylthio)-|2-(methylthio)-4,6-bis(isopropylamino)-s-triazine|2-(Methylthio)-4,6-diisopropylamino-1,3,5-triazine|2-Methylmercapto-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methylmercapto-4,6-bis(isopropylamino)-s-triazine|2-Methylthio-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methylthio-4,6-bis(isopropylamino)-s-triazine|2-Methylthio-4,6-bis(isopropylamino)-sym-triazine|2,4-Bis(isopropylamino)-6-(methylthio)-s-triazine|2,4-Bis(isopropylamino)-6-methylmercapto-s-triazine|2,4-Bis(isopropylamino)-6-methylthio-1,3,5-triazine|2,4-Bis(isopropylamino)-6-methylthio-s-triazine|2,4-Bis(propylamino)-6-methylthio-1,3,5-triazin|4,6-Bis(isopropylamino)-2-(methylthio)-1,3,5-triazine|4,6-Bis(isopropylamino)-2-(methylthio)-s-triazine|Azogard|BRN 0613575|Caparol|Caparol 80W|Caswell No. 097|Cosatrin|Cotogard|EINECS 230-711-3|EPA Pesticide Chem|83653-07-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024272
ERPathway2016 ERPathway2016_1627 Prometryn 7287-19-6 DTXSID4024272 ER Pathway Model, Antagonist Model Score 0 Unitless CSC1=NC(NC(C)C)=NC(NC(C)C)=N1 Prometryn 7287-19-6|Prometryn|1,3,5-Triazina-2,4-diamina, N2,N4-bis(1-metiletil)-6-(metiltio)-|1,3,5-Triazine-2,4-diamine, N,N'-bis(1-methylethyl)-6-(methylthio)-|1,3,5-Triazine-2,4-diamine, N2,N4-bis(1-methylethyl)-6-(methylthio)-|2-(methylthio)-4,6-bis(isopropylamino)-s-triazine|2-(Methylthio)-4,6-diisopropylamino-1,3,5-triazine|2-Methylmercapto-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methylmercapto-4,6-bis(isopropylamino)-s-triazine|2-Methylthio-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methylthio-4,6-bis(isopropylamino)-s-triazine|2-Methylthio-4,6-bis(isopropylamino)-sym-triazine|2,4-Bis(isopropylamino)-6-(methylthio)-s-triazine|2,4-Bis(isopropylamino)-6-methylmercapto-s-triazine|2,4-Bis(isopropylamino)-6-methylthio-1,3,5-triazine|2,4-Bis(isopropylamino)-6-methylthio-s-triazine|2,4-Bis(propylamino)-6-methylthio-1,3,5-triazin|4,6-Bis(isopropylamino)-2-(methylthio)-1,3,5-triazine|4,6-Bis(isopropylamino)-2-(methylthio)-s-triazine|Azogard|BRN 0613575|Caparol|Caparol 80W|Caswell No. 097|Cosatrin|Cotogard|EINECS 230-711-3|EPA Pesticide Chem|83653-07-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024272
ERPathway2016 ERPathway2016_1627 Prometryn 7287-19-6 DTXSID4024272 ER Pathway Model, Agonist Call Inactive Unitless CSC1=NC(NC(C)C)=NC(NC(C)C)=N1 Prometryn 7287-19-6|Prometryn|1,3,5-Triazina-2,4-diamina, N2,N4-bis(1-metiletil)-6-(metiltio)-|1,3,5-Triazine-2,4-diamine, N,N'-bis(1-methylethyl)-6-(methylthio)-|1,3,5-Triazine-2,4-diamine, N2,N4-bis(1-methylethyl)-6-(methylthio)-|2-(methylthio)-4,6-bis(isopropylamino)-s-triazine|2-(Methylthio)-4,6-diisopropylamino-1,3,5-triazine|2-Methylmercapto-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methylmercapto-4,6-bis(isopropylamino)-s-triazine|2-Methylthio-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methylthio-4,6-bis(isopropylamino)-s-triazine|2-Methylthio-4,6-bis(isopropylamino)-sym-triazine|2,4-Bis(isopropylamino)-6-(methylthio)-s-triazine|2,4-Bis(isopropylamino)-6-methylmercapto-s-triazine|2,4-Bis(isopropylamino)-6-methylthio-1,3,5-triazine|2,4-Bis(isopropylamino)-6-methylthio-s-triazine|2,4-Bis(propylamino)-6-methylthio-1,3,5-triazin|4,6-Bis(isopropylamino)-2-(methylthio)-1,3,5-triazine|4,6-Bis(isopropylamino)-2-(methylthio)-s-triazine|Azogard|BRN 0613575|Caparol|Caparol 80W|Caswell No. 097|Cosatrin|Cotogard|EINECS 230-711-3|EPA Pesticide Chem|83653-07-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024272
ERPathway2016 ERPathway2016_1627 Prometryn 7287-19-6 DTXSID4024272 ER Pathway Model, Antagonist Call Inactive Unitless CSC1=NC(NC(C)C)=NC(NC(C)C)=N1 Prometryn 7287-19-6|Prometryn|1,3,5-Triazina-2,4-diamina, N2,N4-bis(1-metiletil)-6-(metiltio)-|1,3,5-Triazine-2,4-diamine, N,N'-bis(1-methylethyl)-6-(methylthio)-|1,3,5-Triazine-2,4-diamine, N2,N4-bis(1-methylethyl)-6-(methylthio)-|2-(methylthio)-4,6-bis(isopropylamino)-s-triazine|2-(Methylthio)-4,6-diisopropylamino-1,3,5-triazine|2-Methylmercapto-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methylmercapto-4,6-bis(isopropylamino)-s-triazine|2-Methylthio-4,6-bis(isopropylamino)-1,3,5-triazine|2-Methylthio-4,6-bis(isopropylamino)-s-triazine|2-Methylthio-4,6-bis(isopropylamino)-sym-triazine|2,4-Bis(isopropylamino)-6-(methylthio)-s-triazine|2,4-Bis(isopropylamino)-6-methylmercapto-s-triazine|2,4-Bis(isopropylamino)-6-methylthio-1,3,5-triazine|2,4-Bis(isopropylamino)-6-methylthio-s-triazine|2,4-Bis(propylamino)-6-methylthio-1,3,5-triazin|4,6-Bis(isopropylamino)-2-(methylthio)-1,3,5-triazine|4,6-Bis(isopropylamino)-2-(methylthio)-s-triazine|Azogard|BRN 0613575|Caparol|Caparol 80W|Caswell No. 097|Cosatrin|Cotogard|EINECS 230-711-3|EPA Pesticide Chem|83653-07-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024272
ARPathway2016 ARPathway2016_101 Propachlor 1918-16-7 DTXSID4024274 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 24.59969291 uM CC(C)N(C(=O)CCl)C1=CC=CC=C1 Propachlor 1918-16-7|Propachlor|2-Chloro-N-(1-methylethyl)-N-phenylacetamide|2-Chloro-N-isopropyl-N-phenylacetamide|2-Chloro-N-isopropylacetanilide|217-638-2|Acetamide, 2-chloro-N-(1-methylethyl)-N-phenyl-|ACETANILIDE, 2-CHLORO-N-ISOPROPYL-|Albrass|alpha-chloro-N-isopropylacetanilid|alpha-Chloro-N-isopropylacetanilide|BRN 2103903|Caswell No. 194|Chloressigsaeure-N-isopropylanilid|CP 31393|EC No.: 217-638-2|EINECS 217-638-2|EPA Pesticide Chemical Code 019101|Kartex A|Muharicid|N-Isopropyl-2-chloroacetanilide|N-isopropyl-alpha-chloroacetanilide|N-Isopropyl-a-chloroacetanilide|Nitacid|Niticid|Propachlore|propacloro|Ramrod Flo|Satecid|UNII-015443A483|a-Chloro-N-isopropylacetanilide|63704-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024274
ARPathway2016 ARPathway2016_101 Propachlor 1918-16-7 DTXSID4024274 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 24.66406091 uM CC(C)N(C(=O)CCl)C1=CC=CC=C1 Propachlor 1918-16-7|Propachlor|2-Chloro-N-(1-methylethyl)-N-phenylacetamide|2-Chloro-N-isopropyl-N-phenylacetamide|2-Chloro-N-isopropylacetanilide|217-638-2|Acetamide, 2-chloro-N-(1-methylethyl)-N-phenyl-|ACETANILIDE, 2-CHLORO-N-ISOPROPYL-|Albrass|alpha-chloro-N-isopropylacetanilid|alpha-Chloro-N-isopropylacetanilide|BRN 2103903|Caswell No. 194|Chloressigsaeure-N-isopropylanilid|CP 31393|EC No.: 217-638-2|EINECS 217-638-2|EPA Pesticide Chemical Code 019101|Kartex A|Muharicid|N-Isopropyl-2-chloroacetanilide|N-isopropyl-alpha-chloroacetanilide|N-Isopropyl-a-chloroacetanilide|Nitacid|Niticid|Propachlore|propacloro|Ramrod Flo|Satecid|UNII-015443A483|a-Chloro-N-isopropylacetanilide|63704-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024274
ARPathway2016 ARPathway2016_101 Propachlor 1918-16-7 DTXSID4024274 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0673 Unitless CC(C)N(C(=O)CCl)C1=CC=CC=C1 Propachlor 1918-16-7|Propachlor|2-Chloro-N-(1-methylethyl)-N-phenylacetamide|2-Chloro-N-isopropyl-N-phenylacetamide|2-Chloro-N-isopropylacetanilide|217-638-2|Acetamide, 2-chloro-N-(1-methylethyl)-N-phenyl-|ACETANILIDE, 2-CHLORO-N-ISOPROPYL-|Albrass|alpha-chloro-N-isopropylacetanilid|alpha-Chloro-N-isopropylacetanilide|BRN 2103903|Caswell No. 194|Chloressigsaeure-N-isopropylanilid|CP 31393|EC No.: 217-638-2|EINECS 217-638-2|EPA Pesticide Chemical Code 019101|Kartex A|Muharicid|N-Isopropyl-2-chloroacetanilide|N-isopropyl-alpha-chloroacetanilide|N-Isopropyl-a-chloroacetanilide|Nitacid|Niticid|Propachlore|propacloro|Ramrod Flo|Satecid|UNII-015443A483|a-Chloro-N-isopropylacetanilide|63704-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024274
ARPathway2016 ARPathway2016_101 Propachlor 1918-16-7 DTXSID4024274 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)N(C(=O)CCl)C1=CC=CC=C1 Propachlor 1918-16-7|Propachlor|2-Chloro-N-(1-methylethyl)-N-phenylacetamide|2-Chloro-N-isopropyl-N-phenylacetamide|2-Chloro-N-isopropylacetanilide|217-638-2|Acetamide, 2-chloro-N-(1-methylethyl)-N-phenyl-|ACETANILIDE, 2-CHLORO-N-ISOPROPYL-|Albrass|alpha-chloro-N-isopropylacetanilid|alpha-Chloro-N-isopropylacetanilide|BRN 2103903|Caswell No. 194|Chloressigsaeure-N-isopropylanilid|CP 31393|EC No.: 217-638-2|EINECS 217-638-2|EPA Pesticide Chemical Code 019101|Kartex A|Muharicid|N-Isopropyl-2-chloroacetanilide|N-isopropyl-alpha-chloroacetanilide|N-Isopropyl-a-chloroacetanilide|Nitacid|Niticid|Propachlore|propacloro|Ramrod Flo|Satecid|UNII-015443A483|a-Chloro-N-isopropylacetanilide|63704-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024274
ARPathway2016 ARPathway2016_101 Propachlor 1918-16-7 DTXSID4024274 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)N(C(=O)CCl)C1=CC=CC=C1 Propachlor 1918-16-7|Propachlor|2-Chloro-N-(1-methylethyl)-N-phenylacetamide|2-Chloro-N-isopropyl-N-phenylacetamide|2-Chloro-N-isopropylacetanilide|217-638-2|Acetamide, 2-chloro-N-(1-methylethyl)-N-phenyl-|ACETANILIDE, 2-CHLORO-N-ISOPROPYL-|Albrass|alpha-chloro-N-isopropylacetanilid|alpha-Chloro-N-isopropylacetanilide|BRN 2103903|Caswell No. 194|Chloressigsaeure-N-isopropylanilid|CP 31393|EC No.: 217-638-2|EINECS 217-638-2|EPA Pesticide Chemical Code 019101|Kartex A|Muharicid|N-Isopropyl-2-chloroacetanilide|N-isopropyl-alpha-chloroacetanilide|N-Isopropyl-a-chloroacetanilide|Nitacid|Niticid|Propachlore|propacloro|Ramrod Flo|Satecid|UNII-015443A483|a-Chloro-N-isopropylacetanilide|63704-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024274
ARPathway2016 ARPathway2016_101 Propachlor 1918-16-7 DTXSID4024274 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)N(C(=O)CCl)C1=CC=CC=C1 Propachlor 1918-16-7|Propachlor|2-Chloro-N-(1-methylethyl)-N-phenylacetamide|2-Chloro-N-isopropyl-N-phenylacetamide|2-Chloro-N-isopropylacetanilide|217-638-2|Acetamide, 2-chloro-N-(1-methylethyl)-N-phenyl-|ACETANILIDE, 2-CHLORO-N-ISOPROPYL-|Albrass|alpha-chloro-N-isopropylacetanilid|alpha-Chloro-N-isopropylacetanilide|BRN 2103903|Caswell No. 194|Chloressigsaeure-N-isopropylanilid|CP 31393|EC No.: 217-638-2|EINECS 217-638-2|EPA Pesticide Chemical Code 019101|Kartex A|Muharicid|N-Isopropyl-2-chloroacetanilide|N-isopropyl-alpha-chloroacetanilide|N-Isopropyl-a-chloroacetanilide|Nitacid|Niticid|Propachlore|propacloro|Ramrod Flo|Satecid|UNII-015443A483|a-Chloro-N-isopropylacetanilide|63704-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024274
ERPathway2016 ERPathway2016_572 Propachlor 1918-16-7 DTXSID4024274 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)N(C(=O)CCl)C1=CC=CC=C1 Propachlor 1918-16-7|Propachlor|2-Chloro-N-(1-methylethyl)-N-phenylacetamide|2-Chloro-N-isopropyl-N-phenylacetamide|2-Chloro-N-isopropylacetanilide|217-638-2|Acetamide, 2-chloro-N-(1-methylethyl)-N-phenyl-|ACETANILIDE, 2-CHLORO-N-ISOPROPYL-|Albrass|alpha-chloro-N-isopropylacetanilid|alpha-Chloro-N-isopropylacetanilide|BRN 2103903|Caswell No. 194|Chloressigsaeure-N-isopropylanilid|CP 31393|EC No.: 217-638-2|EINECS 217-638-2|EPA Pesticide Chemical Code 019101|Kartex A|Muharicid|N-Isopropyl-2-chloroacetanilide|N-isopropyl-alpha-chloroacetanilide|N-Isopropyl-a-chloroacetanilide|Nitacid|Niticid|Propachlore|propacloro|Ramrod Flo|Satecid|UNII-015443A483|a-Chloro-N-isopropylacetanilide|63704-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024274
ERPathway2016 ERPathway2016_572 Propachlor 1918-16-7 DTXSID4024274 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)N(C(=O)CCl)C1=CC=CC=C1 Propachlor 1918-16-7|Propachlor|2-Chloro-N-(1-methylethyl)-N-phenylacetamide|2-Chloro-N-isopropyl-N-phenylacetamide|2-Chloro-N-isopropylacetanilide|217-638-2|Acetamide, 2-chloro-N-(1-methylethyl)-N-phenyl-|ACETANILIDE, 2-CHLORO-N-ISOPROPYL-|Albrass|alpha-chloro-N-isopropylacetanilid|alpha-Chloro-N-isopropylacetanilide|BRN 2103903|Caswell No. 194|Chloressigsaeure-N-isopropylanilid|CP 31393|EC No.: 217-638-2|EINECS 217-638-2|EPA Pesticide Chemical Code 019101|Kartex A|Muharicid|N-Isopropyl-2-chloroacetanilide|N-isopropyl-alpha-chloroacetanilide|N-Isopropyl-a-chloroacetanilide|Nitacid|Niticid|Propachlore|propacloro|Ramrod Flo|Satecid|UNII-015443A483|a-Chloro-N-isopropylacetanilide|63704-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024274
ERPathway2016 ERPathway2016_572 Propachlor 1918-16-7 DTXSID4024274 ER Pathway Model, Agonist Call Inactive Unitless CC(C)N(C(=O)CCl)C1=CC=CC=C1 Propachlor 1918-16-7|Propachlor|2-Chloro-N-(1-methylethyl)-N-phenylacetamide|2-Chloro-N-isopropyl-N-phenylacetamide|2-Chloro-N-isopropylacetanilide|217-638-2|Acetamide, 2-chloro-N-(1-methylethyl)-N-phenyl-|ACETANILIDE, 2-CHLORO-N-ISOPROPYL-|Albrass|alpha-chloro-N-isopropylacetanilid|alpha-Chloro-N-isopropylacetanilide|BRN 2103903|Caswell No. 194|Chloressigsaeure-N-isopropylanilid|CP 31393|EC No.: 217-638-2|EINECS 217-638-2|EPA Pesticide Chemical Code 019101|Kartex A|Muharicid|N-Isopropyl-2-chloroacetanilide|N-isopropyl-alpha-chloroacetanilide|N-Isopropyl-a-chloroacetanilide|Nitacid|Niticid|Propachlore|propacloro|Ramrod Flo|Satecid|UNII-015443A483|a-Chloro-N-isopropylacetanilide|63704-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024274
ERPathway2016 ERPathway2016_572 Propachlor 1918-16-7 DTXSID4024274 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)N(C(=O)CCl)C1=CC=CC=C1 Propachlor 1918-16-7|Propachlor|2-Chloro-N-(1-methylethyl)-N-phenylacetamide|2-Chloro-N-isopropyl-N-phenylacetamide|2-Chloro-N-isopropylacetanilide|217-638-2|Acetamide, 2-chloro-N-(1-methylethyl)-N-phenyl-|ACETANILIDE, 2-CHLORO-N-ISOPROPYL-|Albrass|alpha-chloro-N-isopropylacetanilid|alpha-Chloro-N-isopropylacetanilide|BRN 2103903|Caswell No. 194|Chloressigsaeure-N-isopropylanilid|CP 31393|EC No.: 217-638-2|EINECS 217-638-2|EPA Pesticide Chemical Code 019101|Kartex A|Muharicid|N-Isopropyl-2-chloroacetanilide|N-isopropyl-alpha-chloroacetanilide|N-Isopropyl-a-chloroacetanilide|Nitacid|Niticid|Propachlore|propacloro|Ramrod Flo|Satecid|UNII-015443A483|a-Chloro-N-isopropylacetanilide|63704-81-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024274
ARPathway2016 ARPathway2016_1059 Propamocarb hydrochloride 25606-41-1 DTXSID6034849 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.CCCOC(=O)NCCCN(C)C Propamocarb hydrochloride 25606-41-1|Propamocarb hydrochloride|247-125-9|Banol turf fungicide|Carbamic acid, [3-(dimethylamino)propyl]-, propyl ester, monohydrochloride|Carbamic acid, N-[3-(dimethylamino)propyl]-, propyl ester, hydrochloride (1:1)|Caswell No. 710A|EC No.: 247-125-9|EINECS 247-125-9|Gentracur|Prevex SN-66752|Previcur Flex|Previcur-N|Previcur-N, technical|Propamocarb HCl|Propyl 3-(dimethylamino)propylcarbamate monohydrochloride|SN 66752|UNII-V39TC0925S|1135443-14-9|70323-53-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034849
ARPathway2016 ARPathway2016_1059 Propamocarb hydrochloride 25606-41-1 DTXSID6034849 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cl.CCCOC(=O)NCCCN(C)C Propamocarb hydrochloride 25606-41-1|Propamocarb hydrochloride|247-125-9|Banol turf fungicide|Carbamic acid, [3-(dimethylamino)propyl]-, propyl ester, monohydrochloride|Carbamic acid, N-[3-(dimethylamino)propyl]-, propyl ester, hydrochloride (1:1)|Caswell No. 710A|EC No.: 247-125-9|EINECS 247-125-9|Gentracur|Prevex SN-66752|Previcur Flex|Previcur-N|Previcur-N, technical|Propamocarb HCl|Propyl 3-(dimethylamino)propylcarbamate monohydrochloride|SN 66752|UNII-V39TC0925S|1135443-14-9|70323-53-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034849
ARPathway2016 ARPathway2016_1059 Propamocarb hydrochloride 25606-41-1 DTXSID6034849 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cl.CCCOC(=O)NCCCN(C)C Propamocarb hydrochloride 25606-41-1|Propamocarb hydrochloride|247-125-9|Banol turf fungicide|Carbamic acid, [3-(dimethylamino)propyl]-, propyl ester, monohydrochloride|Carbamic acid, N-[3-(dimethylamino)propyl]-, propyl ester, hydrochloride (1:1)|Caswell No. 710A|EC No.: 247-125-9|EINECS 247-125-9|Gentracur|Prevex SN-66752|Previcur Flex|Previcur-N|Previcur-N, technical|Propamocarb HCl|Propyl 3-(dimethylamino)propylcarbamate monohydrochloride|SN 66752|UNII-V39TC0925S|1135443-14-9|70323-53-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034849
ARPathway2016 ARPathway2016_1059 Propamocarb hydrochloride 25606-41-1 DTXSID6034849 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cl.CCCOC(=O)NCCCN(C)C Propamocarb hydrochloride 25606-41-1|Propamocarb hydrochloride|247-125-9|Banol turf fungicide|Carbamic acid, [3-(dimethylamino)propyl]-, propyl ester, monohydrochloride|Carbamic acid, N-[3-(dimethylamino)propyl]-, propyl ester, hydrochloride (1:1)|Caswell No. 710A|EC No.: 247-125-9|EINECS 247-125-9|Gentracur|Prevex SN-66752|Previcur Flex|Previcur-N|Previcur-N, technical|Propamocarb HCl|Propyl 3-(dimethylamino)propylcarbamate monohydrochloride|SN 66752|UNII-V39TC0925S|1135443-14-9|70323-53-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034849
ERPathway2016 ERPathway2016_1407 Propamocarb hydrochloride 25606-41-1 DTXSID6034849 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CCCOC(=O)NCCCN(C)C Propamocarb hydrochloride 25606-41-1|Propamocarb hydrochloride|247-125-9|Banol turf fungicide|Carbamic acid, [3-(dimethylamino)propyl]-, propyl ester, monohydrochloride|Carbamic acid, N-[3-(dimethylamino)propyl]-, propyl ester, hydrochloride (1:1)|Caswell No. 710A|EC No.: 247-125-9|EINECS 247-125-9|Gentracur|Prevex SN-66752|Previcur Flex|Previcur-N|Previcur-N, technical|Propamocarb HCl|Propyl 3-(dimethylamino)propylcarbamate monohydrochloride|SN 66752|UNII-V39TC0925S|1135443-14-9|70323-53-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034849
ERPathway2016 ERPathway2016_1407 Propamocarb hydrochloride 25606-41-1 DTXSID6034849 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CCCOC(=O)NCCCN(C)C Propamocarb hydrochloride 25606-41-1|Propamocarb hydrochloride|247-125-9|Banol turf fungicide|Carbamic acid, [3-(dimethylamino)propyl]-, propyl ester, monohydrochloride|Carbamic acid, N-[3-(dimethylamino)propyl]-, propyl ester, hydrochloride (1:1)|Caswell No. 710A|EC No.: 247-125-9|EINECS 247-125-9|Gentracur|Prevex SN-66752|Previcur Flex|Previcur-N|Previcur-N, technical|Propamocarb HCl|Propyl 3-(dimethylamino)propylcarbamate monohydrochloride|SN 66752|UNII-V39TC0925S|1135443-14-9|70323-53-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034849
ERPathway2016 ERPathway2016_1407 Propamocarb hydrochloride 25606-41-1 DTXSID6034849 ER Pathway Model, Agonist Call Inactive Unitless Cl.CCCOC(=O)NCCCN(C)C Propamocarb hydrochloride 25606-41-1|Propamocarb hydrochloride|247-125-9|Banol turf fungicide|Carbamic acid, [3-(dimethylamino)propyl]-, propyl ester, monohydrochloride|Carbamic acid, N-[3-(dimethylamino)propyl]-, propyl ester, hydrochloride (1:1)|Caswell No. 710A|EC No.: 247-125-9|EINECS 247-125-9|Gentracur|Prevex SN-66752|Previcur Flex|Previcur-N|Previcur-N, technical|Propamocarb HCl|Propyl 3-(dimethylamino)propylcarbamate monohydrochloride|SN 66752|UNII-V39TC0925S|1135443-14-9|70323-53-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034849
ERPathway2016 ERPathway2016_1407 Propamocarb hydrochloride 25606-41-1 DTXSID6034849 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CCCOC(=O)NCCCN(C)C Propamocarb hydrochloride 25606-41-1|Propamocarb hydrochloride|247-125-9|Banol turf fungicide|Carbamic acid, [3-(dimethylamino)propyl]-, propyl ester, monohydrochloride|Carbamic acid, N-[3-(dimethylamino)propyl]-, propyl ester, hydrochloride (1:1)|Caswell No. 710A|EC No.: 247-125-9|EINECS 247-125-9|Gentracur|Prevex SN-66752|Previcur Flex|Previcur-N|Previcur-N, technical|Propamocarb HCl|Propyl 3-(dimethylamino)propylcarbamate monohydrochloride|SN 66752|UNII-V39TC0925S|1135443-14-9|70323-53-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034849
ARPathway2016 ARPathway2016_532 Propanedinitrile 109-77-3 DTXSID6021907 1.0 A8 AR Pathway Model, Antagonist Model Score 0 Unitless N#CCC#N Propanedinitrile 109-77-3|Propanedinitrile|4-02-00-01892|BRN 0773697|Cyanoacetonitrile|dicyanmethane|Dicyanomethane|Dwumetylosulfotlenku|EINECS 203-703-2|Malondinitrile|Malonic acid dinitrile|Malonic dinitrile|Malonodinitrile|Malononitril|Malononitrile|malononitrilo|MALONSAEUREDINITRIL|Methane, dicyano-|Methylene cyanide|Methylene dinitrile|Methylenecyanide|Methylenedinitrile|Nitril kyseliny malonove|Nitrile kyseliny malonove|NSC 3769|Propanedinitrite|RCRA waste number U149|UN 2647|UNII-EBL1KKS93J|USAF A-4600|144804-99-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021907 https://doi.org/10.22427/NTP-DATA-DTXSID6021907
ARPathway2016 ARPathway2016_532 Propanedinitrile 109-77-3 DTXSID6021907 1.0 A8 AR Pathway Model, Agonist Model Score 0 Unitless N#CCC#N Propanedinitrile 109-77-3|Propanedinitrile|4-02-00-01892|BRN 0773697|Cyanoacetonitrile|dicyanmethane|Dicyanomethane|Dwumetylosulfotlenku|EINECS 203-703-2|Malondinitrile|Malonic acid dinitrile|Malonic dinitrile|Malonodinitrile|Malononitril|Malononitrile|malononitrilo|MALONSAEUREDINITRIL|Methane, dicyano-|Methylene cyanide|Methylene dinitrile|Methylenecyanide|Methylenedinitrile|Nitril kyseliny malonove|Nitrile kyseliny malonove|NSC 3769|Propanedinitrite|RCRA waste number U149|UN 2647|UNII-EBL1KKS93J|USAF A-4600|144804-99-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021907 https://doi.org/10.22427/NTP-DATA-DTXSID6021907
ARPathway2016 ARPathway2016_532 Propanedinitrile 109-77-3 DTXSID6021907 1.0 A8 AR Pathway Model, Agonist Call Inactive Unitless N#CCC#N Propanedinitrile 109-77-3|Propanedinitrile|4-02-00-01892|BRN 0773697|Cyanoacetonitrile|dicyanmethane|Dicyanomethane|Dwumetylosulfotlenku|EINECS 203-703-2|Malondinitrile|Malonic acid dinitrile|Malonic dinitrile|Malonodinitrile|Malononitril|Malononitrile|malononitrilo|MALONSAEUREDINITRIL|Methane, dicyano-|Methylene cyanide|Methylene dinitrile|Methylenecyanide|Methylenedinitrile|Nitril kyseliny malonove|Nitrile kyseliny malonove|NSC 3769|Propanedinitrite|RCRA waste number U149|UN 2647|UNII-EBL1KKS93J|USAF A-4600|144804-99-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021907 https://doi.org/10.22427/NTP-DATA-DTXSID6021907
ARPathway2016 ARPathway2016_532 Propanedinitrile 109-77-3 DTXSID6021907 1.0 A8 AR Pathway Model, Antagonist Call Inactive Unitless N#CCC#N Propanedinitrile 109-77-3|Propanedinitrile|4-02-00-01892|BRN 0773697|Cyanoacetonitrile|dicyanmethane|Dicyanomethane|Dwumetylosulfotlenku|EINECS 203-703-2|Malondinitrile|Malonic acid dinitrile|Malonic dinitrile|Malonodinitrile|Malononitril|Malononitrile|malononitrilo|MALONSAEUREDINITRIL|Methane, dicyano-|Methylene cyanide|Methylene dinitrile|Methylenecyanide|Methylenedinitrile|Nitril kyseliny malonove|Nitrile kyseliny malonove|NSC 3769|Propanedinitrite|RCRA waste number U149|UN 2647|UNII-EBL1KKS93J|USAF A-4600|144804-99-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021907 https://doi.org/10.22427/NTP-DATA-DTXSID6021907
ERPathway2016 ERPathway2016_1127 Propanedinitrile 109-77-3 DTXSID6021907 ER Pathway Model, Agonist Model Score 0 Unitless N#CCC#N Propanedinitrile 109-77-3|Propanedinitrile|4-02-00-01892|BRN 0773697|Cyanoacetonitrile|dicyanmethane|Dicyanomethane|Dwumetylosulfotlenku|EINECS 203-703-2|Malondinitrile|Malonic acid dinitrile|Malonic dinitrile|Malonodinitrile|Malononitril|Malononitrile|malononitrilo|MALONSAEUREDINITRIL|Methane, dicyano-|Methylene cyanide|Methylene dinitrile|Methylenecyanide|Methylenedinitrile|Nitril kyseliny malonove|Nitrile kyseliny malonove|NSC 3769|Propanedinitrite|RCRA waste number U149|UN 2647|UNII-EBL1KKS93J|USAF A-4600|144804-99-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021907 https://doi.org/10.22427/NTP-DATA-DTXSID6021907
ERPathway2016 ERPathway2016_1127 Propanedinitrile 109-77-3 DTXSID6021907 ER Pathway Model, Antagonist Model Score 0 Unitless N#CCC#N Propanedinitrile 109-77-3|Propanedinitrile|4-02-00-01892|BRN 0773697|Cyanoacetonitrile|dicyanmethane|Dicyanomethane|Dwumetylosulfotlenku|EINECS 203-703-2|Malondinitrile|Malonic acid dinitrile|Malonic dinitrile|Malonodinitrile|Malononitril|Malononitrile|malononitrilo|MALONSAEUREDINITRIL|Methane, dicyano-|Methylene cyanide|Methylene dinitrile|Methylenecyanide|Methylenedinitrile|Nitril kyseliny malonove|Nitrile kyseliny malonove|NSC 3769|Propanedinitrite|RCRA waste number U149|UN 2647|UNII-EBL1KKS93J|USAF A-4600|144804-99-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021907 https://doi.org/10.22427/NTP-DATA-DTXSID6021907
ERPathway2016 ERPathway2016_1127 Propanedinitrile 109-77-3 DTXSID6021907 ER Pathway Model, Agonist Call Inactive Unitless N#CCC#N Propanedinitrile 109-77-3|Propanedinitrile|4-02-00-01892|BRN 0773697|Cyanoacetonitrile|dicyanmethane|Dicyanomethane|Dwumetylosulfotlenku|EINECS 203-703-2|Malondinitrile|Malonic acid dinitrile|Malonic dinitrile|Malonodinitrile|Malononitril|Malononitrile|malononitrilo|MALONSAEUREDINITRIL|Methane, dicyano-|Methylene cyanide|Methylene dinitrile|Methylenecyanide|Methylenedinitrile|Nitril kyseliny malonove|Nitrile kyseliny malonove|NSC 3769|Propanedinitrite|RCRA waste number U149|UN 2647|UNII-EBL1KKS93J|USAF A-4600|144804-99-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021907 https://doi.org/10.22427/NTP-DATA-DTXSID6021907
ERPathway2016 ERPathway2016_1127 Propanedinitrile 109-77-3 DTXSID6021907 ER Pathway Model, Antagonist Call Inactive Unitless N#CCC#N Propanedinitrile 109-77-3|Propanedinitrile|4-02-00-01892|BRN 0773697|Cyanoacetonitrile|dicyanmethane|Dicyanomethane|Dwumetylosulfotlenku|EINECS 203-703-2|Malondinitrile|Malonic acid dinitrile|Malonic dinitrile|Malonodinitrile|Malononitril|Malononitrile|malononitrilo|MALONSAEUREDINITRIL|Methane, dicyano-|Methylene cyanide|Methylene dinitrile|Methylenecyanide|Methylenedinitrile|Nitril kyseliny malonove|Nitrile kyseliny malonove|NSC 3769|Propanedinitrite|RCRA waste number U149|UN 2647|UNII-EBL1KKS93J|USAF A-4600|144804-99-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021907 https://doi.org/10.22427/NTP-DATA-DTXSID6021907
ARPathway2016 ARPathway2016_118 Propargite 2312-35-8 DTXSID4024276 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 10.0619053054965 uM CC(C)(C)C1=CC=C(OC2CCCCC2OS(=O)OCC#C)C=C1 Propargite 2312-35-8|Propargite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl 2-propynyl sulfite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl-2-propynyl sulfite|2-(4-tert-Butylphenoxy)cyclohexyl prop-2-ynyl sulfite|2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulphite|2-(p-t-butylphenoxy)cyclohexyl propargyl sulfite|2-(p-tert-Butylphenoxy)cyclohexyl 2-propynyl sulfite|2-(p-tert-butylphenoxy)cyclohexyl propargyl sulfite|Caswell No. 130I|Cyclosulfyne|EINECS 219-006-1|EPA Pesticide Chemical Code 097601|n-Propyl-2-(p-tert-butylphenoxy) cyclohexyl sulfite|Naugatuck D-014|Omite|Omite 57E|Omite 85E|Omite technical|Propargil|Sulfurous acid, 2-(p-tert-butylphenoxy)cyclohexyl 2-propynyl ester|Sulfurous acid, 2- [4- (1, 1- dimethylethyl) phenoxy] cyclohexyl 2- propyn- 1- yl ester|Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propynyl ester|U.S. Rubber D-014|Uniroyal D014|60098-53-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024276
ARPathway2016 ARPathway2016_118 Propargite 2312-35-8 DTXSID4024276 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 4.425192104 uM CC(C)(C)C1=CC=C(OC2CCCCC2OS(=O)OCC#C)C=C1 Propargite 2312-35-8|Propargite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl 2-propynyl sulfite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl-2-propynyl sulfite|2-(4-tert-Butylphenoxy)cyclohexyl prop-2-ynyl sulfite|2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulphite|2-(p-t-butylphenoxy)cyclohexyl propargyl sulfite|2-(p-tert-Butylphenoxy)cyclohexyl 2-propynyl sulfite|2-(p-tert-butylphenoxy)cyclohexyl propargyl sulfite|Caswell No. 130I|Cyclosulfyne|EINECS 219-006-1|EPA Pesticide Chemical Code 097601|n-Propyl-2-(p-tert-butylphenoxy) cyclohexyl sulfite|Naugatuck D-014|Omite|Omite 57E|Omite 85E|Omite technical|Propargil|Sulfurous acid, 2-(p-tert-butylphenoxy)cyclohexyl 2-propynyl ester|Sulfurous acid, 2- [4- (1, 1- dimethylethyl) phenoxy] cyclohexyl 2- propyn- 1- yl ester|Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propynyl ester|U.S. Rubber D-014|Uniroyal D014|60098-53-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024276
ARPathway2016 ARPathway2016_118 Propargite 2312-35-8 DTXSID4024276 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.187 Unitless CC(C)(C)C1=CC=C(OC2CCCCC2OS(=O)OCC#C)C=C1 Propargite 2312-35-8|Propargite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl 2-propynyl sulfite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl-2-propynyl sulfite|2-(4-tert-Butylphenoxy)cyclohexyl prop-2-ynyl sulfite|2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulphite|2-(p-t-butylphenoxy)cyclohexyl propargyl sulfite|2-(p-tert-Butylphenoxy)cyclohexyl 2-propynyl sulfite|2-(p-tert-butylphenoxy)cyclohexyl propargyl sulfite|Caswell No. 130I|Cyclosulfyne|EINECS 219-006-1|EPA Pesticide Chemical Code 097601|n-Propyl-2-(p-tert-butylphenoxy) cyclohexyl sulfite|Naugatuck D-014|Omite|Omite 57E|Omite 85E|Omite technical|Propargil|Sulfurous acid, 2-(p-tert-butylphenoxy)cyclohexyl 2-propynyl ester|Sulfurous acid, 2- [4- (1, 1- dimethylethyl) phenoxy] cyclohexyl 2- propyn- 1- yl ester|Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propynyl ester|U.S. Rubber D-014|Uniroyal D014|60098-53-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024276
ARPathway2016 ARPathway2016_118 Propargite 2312-35-8 DTXSID4024276 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC=C(OC2CCCCC2OS(=O)OCC#C)C=C1 Propargite 2312-35-8|Propargite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl 2-propynyl sulfite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl-2-propynyl sulfite|2-(4-tert-Butylphenoxy)cyclohexyl prop-2-ynyl sulfite|2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulphite|2-(p-t-butylphenoxy)cyclohexyl propargyl sulfite|2-(p-tert-Butylphenoxy)cyclohexyl 2-propynyl sulfite|2-(p-tert-butylphenoxy)cyclohexyl propargyl sulfite|Caswell No. 130I|Cyclosulfyne|EINECS 219-006-1|EPA Pesticide Chemical Code 097601|n-Propyl-2-(p-tert-butylphenoxy) cyclohexyl sulfite|Naugatuck D-014|Omite|Omite 57E|Omite 85E|Omite technical|Propargil|Sulfurous acid, 2-(p-tert-butylphenoxy)cyclohexyl 2-propynyl ester|Sulfurous acid, 2- [4- (1, 1- dimethylethyl) phenoxy] cyclohexyl 2- propyn- 1- yl ester|Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propynyl ester|U.S. Rubber D-014|Uniroyal D014|60098-53-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024276
ARPathway2016 ARPathway2016_118 Propargite 2312-35-8 DTXSID4024276 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)(C)C1=CC=C(OC2CCCCC2OS(=O)OCC#C)C=C1 Propargite 2312-35-8|Propargite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl 2-propynyl sulfite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl-2-propynyl sulfite|2-(4-tert-Butylphenoxy)cyclohexyl prop-2-ynyl sulfite|2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulphite|2-(p-t-butylphenoxy)cyclohexyl propargyl sulfite|2-(p-tert-Butylphenoxy)cyclohexyl 2-propynyl sulfite|2-(p-tert-butylphenoxy)cyclohexyl propargyl sulfite|Caswell No. 130I|Cyclosulfyne|EINECS 219-006-1|EPA Pesticide Chemical Code 097601|n-Propyl-2-(p-tert-butylphenoxy) cyclohexyl sulfite|Naugatuck D-014|Omite|Omite 57E|Omite 85E|Omite technical|Propargil|Sulfurous acid, 2-(p-tert-butylphenoxy)cyclohexyl 2-propynyl ester|Sulfurous acid, 2- [4- (1, 1- dimethylethyl) phenoxy] cyclohexyl 2- propyn- 1- yl ester|Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propynyl ester|U.S. Rubber D-014|Uniroyal D014|60098-53-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024276
ARPathway2016 ARPathway2016_118 Propargite 2312-35-8 DTXSID4024276 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC=C(OC2CCCCC2OS(=O)OCC#C)C=C1 Propargite 2312-35-8|Propargite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl 2-propynyl sulfite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl-2-propynyl sulfite|2-(4-tert-Butylphenoxy)cyclohexyl prop-2-ynyl sulfite|2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulphite|2-(p-t-butylphenoxy)cyclohexyl propargyl sulfite|2-(p-tert-Butylphenoxy)cyclohexyl 2-propynyl sulfite|2-(p-tert-butylphenoxy)cyclohexyl propargyl sulfite|Caswell No. 130I|Cyclosulfyne|EINECS 219-006-1|EPA Pesticide Chemical Code 097601|n-Propyl-2-(p-tert-butylphenoxy) cyclohexyl sulfite|Naugatuck D-014|Omite|Omite 57E|Omite 85E|Omite technical|Propargil|Sulfurous acid, 2-(p-tert-butylphenoxy)cyclohexyl 2-propynyl ester|Sulfurous acid, 2- [4- (1, 1- dimethylethyl) phenoxy] cyclohexyl 2- propyn- 1- yl ester|Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propynyl ester|U.S. Rubber D-014|Uniroyal D014|60098-53-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024276
ERPathway2016 ERPathway2016_587 Propargite 2312-35-8 DTXSID4024276 R8 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC=C(OC2CCCCC2OS(=O)OCC#C)C=C1 Propargite 2312-35-8|Propargite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl 2-propynyl sulfite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl-2-propynyl sulfite|2-(4-tert-Butylphenoxy)cyclohexyl prop-2-ynyl sulfite|2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulphite|2-(p-t-butylphenoxy)cyclohexyl propargyl sulfite|2-(p-tert-Butylphenoxy)cyclohexyl 2-propynyl sulfite|2-(p-tert-butylphenoxy)cyclohexyl propargyl sulfite|Caswell No. 130I|Cyclosulfyne|EINECS 219-006-1|EPA Pesticide Chemical Code 097601|n-Propyl-2-(p-tert-butylphenoxy) cyclohexyl sulfite|Naugatuck D-014|Omite|Omite 57E|Omite 85E|Omite technical|Propargil|Sulfurous acid, 2-(p-tert-butylphenoxy)cyclohexyl 2-propynyl ester|Sulfurous acid, 2- [4- (1, 1- dimethylethyl) phenoxy] cyclohexyl 2- propyn- 1- yl ester|Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propynyl ester|U.S. Rubber D-014|Uniroyal D014|60098-53-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024276
ERPathway2016 ERPathway2016_587 Propargite 2312-35-8 DTXSID4024276 R8 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC=C(OC2CCCCC2OS(=O)OCC#C)C=C1 Propargite 2312-35-8|Propargite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl 2-propynyl sulfite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl-2-propynyl sulfite|2-(4-tert-Butylphenoxy)cyclohexyl prop-2-ynyl sulfite|2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulphite|2-(p-t-butylphenoxy)cyclohexyl propargyl sulfite|2-(p-tert-Butylphenoxy)cyclohexyl 2-propynyl sulfite|2-(p-tert-butylphenoxy)cyclohexyl propargyl sulfite|Caswell No. 130I|Cyclosulfyne|EINECS 219-006-1|EPA Pesticide Chemical Code 097601|n-Propyl-2-(p-tert-butylphenoxy) cyclohexyl sulfite|Naugatuck D-014|Omite|Omite 57E|Omite 85E|Omite technical|Propargil|Sulfurous acid, 2-(p-tert-butylphenoxy)cyclohexyl 2-propynyl ester|Sulfurous acid, 2- [4- (1, 1- dimethylethyl) phenoxy] cyclohexyl 2- propyn- 1- yl ester|Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propynyl ester|U.S. Rubber D-014|Uniroyal D014|60098-53-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024276
ERPathway2016 ERPathway2016_587 Propargite 2312-35-8 DTXSID4024276 R8 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC=C(OC2CCCCC2OS(=O)OCC#C)C=C1 Propargite 2312-35-8|Propargite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl 2-propynyl sulfite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl-2-propynyl sulfite|2-(4-tert-Butylphenoxy)cyclohexyl prop-2-ynyl sulfite|2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulphite|2-(p-t-butylphenoxy)cyclohexyl propargyl sulfite|2-(p-tert-Butylphenoxy)cyclohexyl 2-propynyl sulfite|2-(p-tert-butylphenoxy)cyclohexyl propargyl sulfite|Caswell No. 130I|Cyclosulfyne|EINECS 219-006-1|EPA Pesticide Chemical Code 097601|n-Propyl-2-(p-tert-butylphenoxy) cyclohexyl sulfite|Naugatuck D-014|Omite|Omite 57E|Omite 85E|Omite technical|Propargil|Sulfurous acid, 2-(p-tert-butylphenoxy)cyclohexyl 2-propynyl ester|Sulfurous acid, 2- [4- (1, 1- dimethylethyl) phenoxy] cyclohexyl 2- propyn- 1- yl ester|Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propynyl ester|U.S. Rubber D-014|Uniroyal D014|60098-53-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024276
ERPathway2016 ERPathway2016_587 Propargite 2312-35-8 DTXSID4024276 R8 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC=C(OC2CCCCC2OS(=O)OCC#C)C=C1 Propargite 2312-35-8|Propargite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl 2-propynyl sulfite|2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexyl-2-propynyl sulfite|2-(4-tert-Butylphenoxy)cyclohexyl prop-2-ynyl sulfite|2-(4-tert-butylphenoxy)cyclohexyl prop-2-ynyl sulphite|2-(p-t-butylphenoxy)cyclohexyl propargyl sulfite|2-(p-tert-Butylphenoxy)cyclohexyl 2-propynyl sulfite|2-(p-tert-butylphenoxy)cyclohexyl propargyl sulfite|Caswell No. 130I|Cyclosulfyne|EINECS 219-006-1|EPA Pesticide Chemical Code 097601|n-Propyl-2-(p-tert-butylphenoxy) cyclohexyl sulfite|Naugatuck D-014|Omite|Omite 57E|Omite 85E|Omite technical|Propargil|Sulfurous acid, 2-(p-tert-butylphenoxy)cyclohexyl 2-propynyl ester|Sulfurous acid, 2- [4- (1, 1- dimethylethyl) phenoxy] cyclohexyl 2- propyn- 1- yl ester|Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propynyl ester|U.S. Rubber D-014|Uniroyal D014|60098-53-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024276
ARPathway2016 ARPathway2016_1133 Propetamphos 31218-83-4 DTXSID7032470 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C Propetamphos 31218-83-4|Propetamphos|(E)-1-Methylethyl 3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate|(E)-1-Metiletil-3-(((etilamino)metoxifosfinotiol)oxi)-2-butenoato|(E)-O-2-Isopropoxy-carbonyl-1-methylvinyl O-methyl ethylphosphoramidothioate|1-Methylethyl (E)-3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate|2-Butenoic acid, 3-(((ethylamino)methoxyphosphinothioyl)oxy)-, 1-methylethyl ester, (E)-|Caswell No. 706A|Deadmag|EINECS 250-517-2|EPA Pesticide Chemical Code 113601|Isopropyl 3-(ethylamino(methoxy)phosphinothioyloxy)isocrotonate|O-(1-Isopropoxycarbonyl-1-propen-2-yl)-O-methyl N-ethyl-phosphoramidothionate|O-methyl O-{1-[(propan-2-yl)oxycarbonyl]prop-1-en-2-yl} ethylamidothiophosphate|Safrotin S 200|UNII-G4A07F635U|VEL 4283 (Obs.) https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032470
ARPathway2016 ARPathway2016_1133 Propetamphos 31218-83-4 DTXSID7032470 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C Propetamphos 31218-83-4|Propetamphos|(E)-1-Methylethyl 3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate|(E)-1-Metiletil-3-(((etilamino)metoxifosfinotiol)oxi)-2-butenoato|(E)-O-2-Isopropoxy-carbonyl-1-methylvinyl O-methyl ethylphosphoramidothioate|1-Methylethyl (E)-3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate|2-Butenoic acid, 3-(((ethylamino)methoxyphosphinothioyl)oxy)-, 1-methylethyl ester, (E)-|Caswell No. 706A|Deadmag|EINECS 250-517-2|EPA Pesticide Chemical Code 113601|Isopropyl 3-(ethylamino(methoxy)phosphinothioyloxy)isocrotonate|O-(1-Isopropoxycarbonyl-1-propen-2-yl)-O-methyl N-ethyl-phosphoramidothionate|O-methyl O-{1-[(propan-2-yl)oxycarbonyl]prop-1-en-2-yl} ethylamidothiophosphate|Safrotin S 200|UNII-G4A07F635U|VEL 4283 (Obs.) https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032470
ARPathway2016 ARPathway2016_1133 Propetamphos 31218-83-4 DTXSID7032470 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C Propetamphos 31218-83-4|Propetamphos|(E)-1-Methylethyl 3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate|(E)-1-Metiletil-3-(((etilamino)metoxifosfinotiol)oxi)-2-butenoato|(E)-O-2-Isopropoxy-carbonyl-1-methylvinyl O-methyl ethylphosphoramidothioate|1-Methylethyl (E)-3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate|2-Butenoic acid, 3-(((ethylamino)methoxyphosphinothioyl)oxy)-, 1-methylethyl ester, (E)-|Caswell No. 706A|Deadmag|EINECS 250-517-2|EPA Pesticide Chemical Code 113601|Isopropyl 3-(ethylamino(methoxy)phosphinothioyloxy)isocrotonate|O-(1-Isopropoxycarbonyl-1-propen-2-yl)-O-methyl N-ethyl-phosphoramidothionate|O-methyl O-{1-[(propan-2-yl)oxycarbonyl]prop-1-en-2-yl} ethylamidothiophosphate|Safrotin S 200|UNII-G4A07F635U|VEL 4283 (Obs.) https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032470
ARPathway2016 ARPathway2016_1133 Propetamphos 31218-83-4 DTXSID7032470 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C Propetamphos 31218-83-4|Propetamphos|(E)-1-Methylethyl 3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate|(E)-1-Metiletil-3-(((etilamino)metoxifosfinotiol)oxi)-2-butenoato|(E)-O-2-Isopropoxy-carbonyl-1-methylvinyl O-methyl ethylphosphoramidothioate|1-Methylethyl (E)-3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate|2-Butenoic acid, 3-(((ethylamino)methoxyphosphinothioyl)oxy)-, 1-methylethyl ester, (E)-|Caswell No. 706A|Deadmag|EINECS 250-517-2|EPA Pesticide Chemical Code 113601|Isopropyl 3-(ethylamino(methoxy)phosphinothioyloxy)isocrotonate|O-(1-Isopropoxycarbonyl-1-propen-2-yl)-O-methyl N-ethyl-phosphoramidothionate|O-methyl O-{1-[(propan-2-yl)oxycarbonyl]prop-1-en-2-yl} ethylamidothiophosphate|Safrotin S 200|UNII-G4A07F635U|VEL 4283 (Obs.) https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032470
ERPathway2016 ERPathway2016_790 Propetamphos 31218-83-4 DTXSID7032470 ER Pathway Model, Agonist Model Score 0 Unitless CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C Propetamphos 31218-83-4|Propetamphos|(E)-1-Methylethyl 3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate|(E)-1-Metiletil-3-(((etilamino)metoxifosfinotiol)oxi)-2-butenoato|(E)-O-2-Isopropoxy-carbonyl-1-methylvinyl O-methyl ethylphosphoramidothioate|1-Methylethyl (E)-3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate|2-Butenoic acid, 3-(((ethylamino)methoxyphosphinothioyl)oxy)-, 1-methylethyl ester, (E)-|Caswell No. 706A|Deadmag|EINECS 250-517-2|EPA Pesticide Chemical Code 113601|Isopropyl 3-(ethylamino(methoxy)phosphinothioyloxy)isocrotonate|O-(1-Isopropoxycarbonyl-1-propen-2-yl)-O-methyl N-ethyl-phosphoramidothionate|O-methyl O-{1-[(propan-2-yl)oxycarbonyl]prop-1-en-2-yl} ethylamidothiophosphate|Safrotin S 200|UNII-G4A07F635U|VEL 4283 (Obs.) https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032470
ERPathway2016 ERPathway2016_790 Propetamphos 31218-83-4 DTXSID7032470 ER Pathway Model, Antagonist Model Score 0 Unitless CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C Propetamphos 31218-83-4|Propetamphos|(E)-1-Methylethyl 3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate|(E)-1-Metiletil-3-(((etilamino)metoxifosfinotiol)oxi)-2-butenoato|(E)-O-2-Isopropoxy-carbonyl-1-methylvinyl O-methyl ethylphosphoramidothioate|1-Methylethyl (E)-3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate|2-Butenoic acid, 3-(((ethylamino)methoxyphosphinothioyl)oxy)-, 1-methylethyl ester, (E)-|Caswell No. 706A|Deadmag|EINECS 250-517-2|EPA Pesticide Chemical Code 113601|Isopropyl 3-(ethylamino(methoxy)phosphinothioyloxy)isocrotonate|O-(1-Isopropoxycarbonyl-1-propen-2-yl)-O-methyl N-ethyl-phosphoramidothionate|O-methyl O-{1-[(propan-2-yl)oxycarbonyl]prop-1-en-2-yl} ethylamidothiophosphate|Safrotin S 200|UNII-G4A07F635U|VEL 4283 (Obs.) https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032470
ERPathway2016 ERPathway2016_790 Propetamphos 31218-83-4 DTXSID7032470 ER Pathway Model, Agonist Call Inactive Unitless CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C Propetamphos 31218-83-4|Propetamphos|(E)-1-Methylethyl 3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate|(E)-1-Metiletil-3-(((etilamino)metoxifosfinotiol)oxi)-2-butenoato|(E)-O-2-Isopropoxy-carbonyl-1-methylvinyl O-methyl ethylphosphoramidothioate|1-Methylethyl (E)-3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate|2-Butenoic acid, 3-(((ethylamino)methoxyphosphinothioyl)oxy)-, 1-methylethyl ester, (E)-|Caswell No. 706A|Deadmag|EINECS 250-517-2|EPA Pesticide Chemical Code 113601|Isopropyl 3-(ethylamino(methoxy)phosphinothioyloxy)isocrotonate|O-(1-Isopropoxycarbonyl-1-propen-2-yl)-O-methyl N-ethyl-phosphoramidothionate|O-methyl O-{1-[(propan-2-yl)oxycarbonyl]prop-1-en-2-yl} ethylamidothiophosphate|Safrotin S 200|UNII-G4A07F635U|VEL 4283 (Obs.) https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032470
ERPathway2016 ERPathway2016_790 Propetamphos 31218-83-4 DTXSID7032470 ER Pathway Model, Antagonist Call Inactive Unitless CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C Propetamphos 31218-83-4|Propetamphos|(E)-1-Methylethyl 3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate|(E)-1-Metiletil-3-(((etilamino)metoxifosfinotiol)oxi)-2-butenoato|(E)-O-2-Isopropoxy-carbonyl-1-methylvinyl O-methyl ethylphosphoramidothioate|1-Methylethyl (E)-3-(((ethylamino)methoxyphosphinothioyl)oxy)-2-butenoate|2-Butenoic acid, 3-(((ethylamino)methoxyphosphinothioyl)oxy)-, 1-methylethyl ester, (E)-|Caswell No. 706A|Deadmag|EINECS 250-517-2|EPA Pesticide Chemical Code 113601|Isopropyl 3-(ethylamino(methoxy)phosphinothioyloxy)isocrotonate|O-(1-Isopropoxycarbonyl-1-propen-2-yl)-O-methyl N-ethyl-phosphoramidothionate|O-methyl O-{1-[(propan-2-yl)oxycarbonyl]prop-1-en-2-yl} ethylamidothiophosphate|Safrotin S 200|UNII-G4A07F635U|VEL 4283 (Obs.) https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032470
ARPathway2016 ARPathway2016_699 Propham 122-42-9 DTXSID7020766 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)OC(=O)NC1=CC=CC=C1 Propham 122-42-9|Propham|1-Methylethyl phenylcarbamate|4-12-00-00620|Acido carbamico, N-fenil-, 1-metiletil ester|Agermin|Ban-Hoe|Birgin|BRN 2209666|Carbamic acid, N-phenyl-, 1-methylethyl ester|Carbamic acid, phenyl-, 1-methylethyl ester|Carbanilic acid, isopropyl ester|Caswell No. 510|Chem-Hoe|Collavin|EINECS 204-542-0|IPPC|Iso.ppc.|Isopropil-N-fenil-carbammato|Isopropyl carbanilate|Isopropyl carbanilic acid ester|Isopropyl phenyl urethane|Isopropyl phenylcarbamate|Isopropyl phenylcarbmate|Isopropyl phenylurethane|Isopropyl-N-fenyl-carbamaat|Isopropyl-N-phenyl-carbamat|Isopropyl-N-phenylcarbamate|Isopropyl-N-phenylurethan|Isopropylester kyseliny karbanilove|N-Phenyl isopropyl carbamate|N-Phenyl-O-isopropylurethane|N-Phenylcarbamate d'isopropyle|N-Phenylcarbamic acid, isopropyl ester|NSC 2105|O-Isopropyl N-phenyl carbamate|O-Isopropyl N-phenylcarbamate|Ortho grass killer|Phenylcarbamic acid, 1-methylethyl ester|Profam|Prophame|Tixit|Triherbide|Triherbide-ipc|Tuberit|Tuberite|UNII-Y647G714RY https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020766
ARPathway2016 ARPathway2016_699 Propham 122-42-9 DTXSID7020766 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)OC(=O)NC1=CC=CC=C1 Propham 122-42-9|Propham|1-Methylethyl phenylcarbamate|4-12-00-00620|Acido carbamico, N-fenil-, 1-metiletil ester|Agermin|Ban-Hoe|Birgin|BRN 2209666|Carbamic acid, N-phenyl-, 1-methylethyl ester|Carbamic acid, phenyl-, 1-methylethyl ester|Carbanilic acid, isopropyl ester|Caswell No. 510|Chem-Hoe|Collavin|EINECS 204-542-0|IPPC|Iso.ppc.|Isopropil-N-fenil-carbammato|Isopropyl carbanilate|Isopropyl carbanilic acid ester|Isopropyl phenyl urethane|Isopropyl phenylcarbamate|Isopropyl phenylcarbmate|Isopropyl phenylurethane|Isopropyl-N-fenyl-carbamaat|Isopropyl-N-phenyl-carbamat|Isopropyl-N-phenylcarbamate|Isopropyl-N-phenylurethan|Isopropylester kyseliny karbanilove|N-Phenyl isopropyl carbamate|N-Phenyl-O-isopropylurethane|N-Phenylcarbamate d'isopropyle|N-Phenylcarbamic acid, isopropyl ester|NSC 2105|O-Isopropyl N-phenyl carbamate|O-Isopropyl N-phenylcarbamate|Ortho grass killer|Phenylcarbamic acid, 1-methylethyl ester|Profam|Prophame|Tixit|Triherbide|Triherbide-ipc|Tuberit|Tuberite|UNII-Y647G714RY https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020766
ARPathway2016 ARPathway2016_699 Propham 122-42-9 DTXSID7020766 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)OC(=O)NC1=CC=CC=C1 Propham 122-42-9|Propham|1-Methylethyl phenylcarbamate|4-12-00-00620|Acido carbamico, N-fenil-, 1-metiletil ester|Agermin|Ban-Hoe|Birgin|BRN 2209666|Carbamic acid, N-phenyl-, 1-methylethyl ester|Carbamic acid, phenyl-, 1-methylethyl ester|Carbanilic acid, isopropyl ester|Caswell No. 510|Chem-Hoe|Collavin|EINECS 204-542-0|IPPC|Iso.ppc.|Isopropil-N-fenil-carbammato|Isopropyl carbanilate|Isopropyl carbanilic acid ester|Isopropyl phenyl urethane|Isopropyl phenylcarbamate|Isopropyl phenylcarbmate|Isopropyl phenylurethane|Isopropyl-N-fenyl-carbamaat|Isopropyl-N-phenyl-carbamat|Isopropyl-N-phenylcarbamate|Isopropyl-N-phenylurethan|Isopropylester kyseliny karbanilove|N-Phenyl isopropyl carbamate|N-Phenyl-O-isopropylurethane|N-Phenylcarbamate d'isopropyle|N-Phenylcarbamic acid, isopropyl ester|NSC 2105|O-Isopropyl N-phenyl carbamate|O-Isopropyl N-phenylcarbamate|Ortho grass killer|Phenylcarbamic acid, 1-methylethyl ester|Profam|Prophame|Tixit|Triherbide|Triherbide-ipc|Tuberit|Tuberite|UNII-Y647G714RY https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020766
ARPathway2016 ARPathway2016_699 Propham 122-42-9 DTXSID7020766 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)OC(=O)NC1=CC=CC=C1 Propham 122-42-9|Propham|1-Methylethyl phenylcarbamate|4-12-00-00620|Acido carbamico, N-fenil-, 1-metiletil ester|Agermin|Ban-Hoe|Birgin|BRN 2209666|Carbamic acid, N-phenyl-, 1-methylethyl ester|Carbamic acid, phenyl-, 1-methylethyl ester|Carbanilic acid, isopropyl ester|Caswell No. 510|Chem-Hoe|Collavin|EINECS 204-542-0|IPPC|Iso.ppc.|Isopropil-N-fenil-carbammato|Isopropyl carbanilate|Isopropyl carbanilic acid ester|Isopropyl phenyl urethane|Isopropyl phenylcarbamate|Isopropyl phenylcarbmate|Isopropyl phenylurethane|Isopropyl-N-fenyl-carbamaat|Isopropyl-N-phenyl-carbamat|Isopropyl-N-phenylcarbamate|Isopropyl-N-phenylurethan|Isopropylester kyseliny karbanilove|N-Phenyl isopropyl carbamate|N-Phenyl-O-isopropylurethane|N-Phenylcarbamate d'isopropyle|N-Phenylcarbamic acid, isopropyl ester|NSC 2105|O-Isopropyl N-phenyl carbamate|O-Isopropyl N-phenylcarbamate|Ortho grass killer|Phenylcarbamic acid, 1-methylethyl ester|Profam|Prophame|Tixit|Triherbide|Triherbide-ipc|Tuberit|Tuberite|UNII-Y647G714RY https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020766
ERPathway2016 ERPathway2016_1223 Propham 122-42-9 DTXSID7020766 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)OC(=O)NC1=CC=CC=C1 Propham 122-42-9|Propham|1-Methylethyl phenylcarbamate|4-12-00-00620|Acido carbamico, N-fenil-, 1-metiletil ester|Agermin|Ban-Hoe|Birgin|BRN 2209666|Carbamic acid, N-phenyl-, 1-methylethyl ester|Carbamic acid, phenyl-, 1-methylethyl ester|Carbanilic acid, isopropyl ester|Caswell No. 510|Chem-Hoe|Collavin|EINECS 204-542-0|IPPC|Iso.ppc.|Isopropil-N-fenil-carbammato|Isopropyl carbanilate|Isopropyl carbanilic acid ester|Isopropyl phenyl urethane|Isopropyl phenylcarbamate|Isopropyl phenylcarbmate|Isopropyl phenylurethane|Isopropyl-N-fenyl-carbamaat|Isopropyl-N-phenyl-carbamat|Isopropyl-N-phenylcarbamate|Isopropyl-N-phenylurethan|Isopropylester kyseliny karbanilove|N-Phenyl isopropyl carbamate|N-Phenyl-O-isopropylurethane|N-Phenylcarbamate d'isopropyle|N-Phenylcarbamic acid, isopropyl ester|NSC 2105|O-Isopropyl N-phenyl carbamate|O-Isopropyl N-phenylcarbamate|Ortho grass killer|Phenylcarbamic acid, 1-methylethyl ester|Profam|Prophame|Tixit|Triherbide|Triherbide-ipc|Tuberit|Tuberite|UNII-Y647G714RY https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020766
ERPathway2016 ERPathway2016_1223 Propham 122-42-9 DTXSID7020766 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)OC(=O)NC1=CC=CC=C1 Propham 122-42-9|Propham|1-Methylethyl phenylcarbamate|4-12-00-00620|Acido carbamico, N-fenil-, 1-metiletil ester|Agermin|Ban-Hoe|Birgin|BRN 2209666|Carbamic acid, N-phenyl-, 1-methylethyl ester|Carbamic acid, phenyl-, 1-methylethyl ester|Carbanilic acid, isopropyl ester|Caswell No. 510|Chem-Hoe|Collavin|EINECS 204-542-0|IPPC|Iso.ppc.|Isopropil-N-fenil-carbammato|Isopropyl carbanilate|Isopropyl carbanilic acid ester|Isopropyl phenyl urethane|Isopropyl phenylcarbamate|Isopropyl phenylcarbmate|Isopropyl phenylurethane|Isopropyl-N-fenyl-carbamaat|Isopropyl-N-phenyl-carbamat|Isopropyl-N-phenylcarbamate|Isopropyl-N-phenylurethan|Isopropylester kyseliny karbanilove|N-Phenyl isopropyl carbamate|N-Phenyl-O-isopropylurethane|N-Phenylcarbamate d'isopropyle|N-Phenylcarbamic acid, isopropyl ester|NSC 2105|O-Isopropyl N-phenyl carbamate|O-Isopropyl N-phenylcarbamate|Ortho grass killer|Phenylcarbamic acid, 1-methylethyl ester|Profam|Prophame|Tixit|Triherbide|Triherbide-ipc|Tuberit|Tuberite|UNII-Y647G714RY https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020766
ERPathway2016 ERPathway2016_1223 Propham 122-42-9 DTXSID7020766 ER Pathway Model, Agonist Call Inactive Unitless CC(C)OC(=O)NC1=CC=CC=C1 Propham 122-42-9|Propham|1-Methylethyl phenylcarbamate|4-12-00-00620|Acido carbamico, N-fenil-, 1-metiletil ester|Agermin|Ban-Hoe|Birgin|BRN 2209666|Carbamic acid, N-phenyl-, 1-methylethyl ester|Carbamic acid, phenyl-, 1-methylethyl ester|Carbanilic acid, isopropyl ester|Caswell No. 510|Chem-Hoe|Collavin|EINECS 204-542-0|IPPC|Iso.ppc.|Isopropil-N-fenil-carbammato|Isopropyl carbanilate|Isopropyl carbanilic acid ester|Isopropyl phenyl urethane|Isopropyl phenylcarbamate|Isopropyl phenylcarbmate|Isopropyl phenylurethane|Isopropyl-N-fenyl-carbamaat|Isopropyl-N-phenyl-carbamat|Isopropyl-N-phenylcarbamate|Isopropyl-N-phenylurethan|Isopropylester kyseliny karbanilove|N-Phenyl isopropyl carbamate|N-Phenyl-O-isopropylurethane|N-Phenylcarbamate d'isopropyle|N-Phenylcarbamic acid, isopropyl ester|NSC 2105|O-Isopropyl N-phenyl carbamate|O-Isopropyl N-phenylcarbamate|Ortho grass killer|Phenylcarbamic acid, 1-methylethyl ester|Profam|Prophame|Tixit|Triherbide|Triherbide-ipc|Tuberit|Tuberite|UNII-Y647G714RY https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020766
ERPathway2016 ERPathway2016_1223 Propham 122-42-9 DTXSID7020766 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)OC(=O)NC1=CC=CC=C1 Propham 122-42-9|Propham|1-Methylethyl phenylcarbamate|4-12-00-00620|Acido carbamico, N-fenil-, 1-metiletil ester|Agermin|Ban-Hoe|Birgin|BRN 2209666|Carbamic acid, N-phenyl-, 1-methylethyl ester|Carbamic acid, phenyl-, 1-methylethyl ester|Carbanilic acid, isopropyl ester|Caswell No. 510|Chem-Hoe|Collavin|EINECS 204-542-0|IPPC|Iso.ppc.|Isopropil-N-fenil-carbammato|Isopropyl carbanilate|Isopropyl carbanilic acid ester|Isopropyl phenyl urethane|Isopropyl phenylcarbamate|Isopropyl phenylcarbmate|Isopropyl phenylurethane|Isopropyl-N-fenyl-carbamaat|Isopropyl-N-phenyl-carbamat|Isopropyl-N-phenylcarbamate|Isopropyl-N-phenylurethan|Isopropylester kyseliny karbanilove|N-Phenyl isopropyl carbamate|N-Phenyl-O-isopropylurethane|N-Phenylcarbamate d'isopropyle|N-Phenylcarbamic acid, isopropyl ester|NSC 2105|O-Isopropyl N-phenyl carbamate|O-Isopropyl N-phenylcarbamate|Ortho grass killer|Phenylcarbamic acid, 1-methylethyl ester|Profam|Prophame|Tixit|Triherbide|Triherbide-ipc|Tuberit|Tuberite|UNII-Y647G714RY https://comptox.epa.gov/dashboard/chemical/details/DTXSID7020766
ARPathway2016 ARPathway2016_230 Propiconazole 60207-90-1 DTXSID8024280 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 35.39377192 uM CCCC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(Cl)C=C1 Propiconazole 60207-90-1|Propiconazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole|1-(2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl)-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-Dichlorphenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazol|1-[[2-(2,4-diclorofenil)-4-propil-1,3-dioxolan-2-il]metil]-1H-1,2,4-triazol|1-{[2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-|262-104-4|5-26-01-00205|Bamper 25EC|Banner Maxx|BRN 0841361|Cane Sett Treatment|Caswell No. 323EE|CGA-64250|EC No.: 262-104-4|EINECS 262-104-4|EPA Pesticide Chemical Code 122101|Fertilome Liquid Systemic Fungicide|Microban PZ|Microban S 2140|Mycostat P|Orbit|Orbit (fungicide)|PPZ|PPZ (fungicide)|Pro|1135441-15-4|125407-52-5|181591-67-3|2103217-17-8|75881-82-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024280
ARPathway2016 ARPathway2016_230 Propiconazole 60207-90-1 DTXSID8024280 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 33.0523124793594 uM CCCC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(Cl)C=C1 Propiconazole 60207-90-1|Propiconazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole|1-(2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl)-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-Dichlorphenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazol|1-[[2-(2,4-diclorofenil)-4-propil-1,3-dioxolan-2-il]metil]-1H-1,2,4-triazol|1-{[2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-|262-104-4|5-26-01-00205|Bamper 25EC|Banner Maxx|BRN 0841361|Cane Sett Treatment|Caswell No. 323EE|CGA-64250|EC No.: 262-104-4|EINECS 262-104-4|EPA Pesticide Chemical Code 122101|Fertilome Liquid Systemic Fungicide|Microban PZ|Microban S 2140|Mycostat P|Orbit|Orbit (fungicide)|PPZ|PPZ (fungicide)|Pro|1135441-15-4|125407-52-5|181591-67-3|2103217-17-8|75881-82-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024280
ARPathway2016 ARPathway2016_230 Propiconazole 60207-90-1 DTXSID8024280 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.167 Unitless CCCC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(Cl)C=C1 Propiconazole 60207-90-1|Propiconazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole|1-(2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl)-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-Dichlorphenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazol|1-[[2-(2,4-diclorofenil)-4-propil-1,3-dioxolan-2-il]metil]-1H-1,2,4-triazol|1-{[2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-|262-104-4|5-26-01-00205|Bamper 25EC|Banner Maxx|BRN 0841361|Cane Sett Treatment|Caswell No. 323EE|CGA-64250|EC No.: 262-104-4|EINECS 262-104-4|EPA Pesticide Chemical Code 122101|Fertilome Liquid Systemic Fungicide|Microban PZ|Microban S 2140|Mycostat P|Orbit|Orbit (fungicide)|PPZ|PPZ (fungicide)|Pro|1135441-15-4|125407-52-5|181591-67-3|2103217-17-8|75881-82-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024280
ARPathway2016 ARPathway2016_230 Propiconazole 60207-90-1 DTXSID8024280 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(Cl)C=C1 Propiconazole 60207-90-1|Propiconazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole|1-(2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl)-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-Dichlorphenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazol|1-[[2-(2,4-diclorofenil)-4-propil-1,3-dioxolan-2-il]metil]-1H-1,2,4-triazol|1-{[2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-|262-104-4|5-26-01-00205|Bamper 25EC|Banner Maxx|BRN 0841361|Cane Sett Treatment|Caswell No. 323EE|CGA-64250|EC No.: 262-104-4|EINECS 262-104-4|EPA Pesticide Chemical Code 122101|Fertilome Liquid Systemic Fungicide|Microban PZ|Microban S 2140|Mycostat P|Orbit|Orbit (fungicide)|PPZ|PPZ (fungicide)|Pro|1135441-15-4|125407-52-5|181591-67-3|2103217-17-8|75881-82-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024280
ARPathway2016 ARPathway2016_230 Propiconazole 60207-90-1 DTXSID8024280 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(Cl)C=C1 Propiconazole 60207-90-1|Propiconazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole|1-(2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl)-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-Dichlorphenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazol|1-[[2-(2,4-diclorofenil)-4-propil-1,3-dioxolan-2-il]metil]-1H-1,2,4-triazol|1-{[2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-|262-104-4|5-26-01-00205|Bamper 25EC|Banner Maxx|BRN 0841361|Cane Sett Treatment|Caswell No. 323EE|CGA-64250|EC No.: 262-104-4|EINECS 262-104-4|EPA Pesticide Chemical Code 122101|Fertilome Liquid Systemic Fungicide|Microban PZ|Microban S 2140|Mycostat P|Orbit|Orbit (fungicide)|PPZ|PPZ (fungicide)|Pro|1135441-15-4|125407-52-5|181591-67-3|2103217-17-8|75881-82-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024280
ARPathway2016 ARPathway2016_230 Propiconazole 60207-90-1 DTXSID8024280 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(Cl)C=C1 Propiconazole 60207-90-1|Propiconazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole|1-(2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl)-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-Dichlorphenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazol|1-[[2-(2,4-diclorofenil)-4-propil-1,3-dioxolan-2-il]metil]-1H-1,2,4-triazol|1-{[2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-|262-104-4|5-26-01-00205|Bamper 25EC|Banner Maxx|BRN 0841361|Cane Sett Treatment|Caswell No. 323EE|CGA-64250|EC No.: 262-104-4|EINECS 262-104-4|EPA Pesticide Chemical Code 122101|Fertilome Liquid Systemic Fungicide|Microban PZ|Microban S 2140|Mycostat P|Orbit|Orbit (fungicide)|PPZ|PPZ (fungicide)|Pro|1135441-15-4|125407-52-5|181591-67-3|2103217-17-8|75881-82-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024280
ERPathway2016 ERPathway2016_538 Propiconazole 60207-90-1 DTXSID8024280 ER Pathway Model, Agonist Model Score 0 Unitless CCCC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(Cl)C=C1 Propiconazole 60207-90-1|Propiconazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole|1-(2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl)-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-Dichlorphenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazol|1-[[2-(2,4-diclorofenil)-4-propil-1,3-dioxolan-2-il]metil]-1H-1,2,4-triazol|1-{[2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-|262-104-4|5-26-01-00205|Bamper 25EC|Banner Maxx|BRN 0841361|Cane Sett Treatment|Caswell No. 323EE|CGA-64250|EC No.: 262-104-4|EINECS 262-104-4|EPA Pesticide Chemical Code 122101|Fertilome Liquid Systemic Fungicide|Microban PZ|Microban S 2140|Mycostat P|Orbit|Orbit (fungicide)|PPZ|PPZ (fungicide)|Pro|1135441-15-4|125407-52-5|181591-67-3|2103217-17-8|75881-82-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024280
ERPathway2016 ERPathway2016_538 Propiconazole 60207-90-1 DTXSID8024280 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(Cl)C=C1 Propiconazole 60207-90-1|Propiconazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole|1-(2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl)-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-Dichlorphenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazol|1-[[2-(2,4-diclorofenil)-4-propil-1,3-dioxolan-2-il]metil]-1H-1,2,4-triazol|1-{[2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-|262-104-4|5-26-01-00205|Bamper 25EC|Banner Maxx|BRN 0841361|Cane Sett Treatment|Caswell No. 323EE|CGA-64250|EC No.: 262-104-4|EINECS 262-104-4|EPA Pesticide Chemical Code 122101|Fertilome Liquid Systemic Fungicide|Microban PZ|Microban S 2140|Mycostat P|Orbit|Orbit (fungicide)|PPZ|PPZ (fungicide)|Pro|1135441-15-4|125407-52-5|181591-67-3|2103217-17-8|75881-82-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024280
ERPathway2016 ERPathway2016_538 Propiconazole 60207-90-1 DTXSID8024280 ER Pathway Model, Agonist Call Inactive Unitless CCCC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(Cl)C=C1 Propiconazole 60207-90-1|Propiconazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole|1-(2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl)-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-Dichlorphenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazol|1-[[2-(2,4-diclorofenil)-4-propil-1,3-dioxolan-2-il]metil]-1H-1,2,4-triazol|1-{[2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-|262-104-4|5-26-01-00205|Bamper 25EC|Banner Maxx|BRN 0841361|Cane Sett Treatment|Caswell No. 323EE|CGA-64250|EC No.: 262-104-4|EINECS 262-104-4|EPA Pesticide Chemical Code 122101|Fertilome Liquid Systemic Fungicide|Microban PZ|Microban S 2140|Mycostat P|Orbit|Orbit (fungicide)|PPZ|PPZ (fungicide)|Pro|1135441-15-4|125407-52-5|181591-67-3|2103217-17-8|75881-82-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024280
ERPathway2016 ERPathway2016_538 Propiconazole 60207-90-1 DTXSID8024280 ER Pathway Model, Antagonist Call Inactive Unitless CCCC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(Cl)C=C1 Propiconazole 60207-90-1|Propiconazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl-methyl]-1H-1,2,4-triazole|(+/-)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole|1-(2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl)-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane-2-yl]methyl]-1H-1,2,4-triazole|1-[[2-(2,4-Dichlorphenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazol|1-[[2-(2,4-diclorofenil)-4-propil-1,3-dioxolan-2-il]metil]-1H-1,2,4-triazol|1-{[2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-|262-104-4|5-26-01-00205|Bamper 25EC|Banner Maxx|BRN 0841361|Cane Sett Treatment|Caswell No. 323EE|CGA-64250|EC No.: 262-104-4|EINECS 262-104-4|EPA Pesticide Chemical Code 122101|Fertilome Liquid Systemic Fungicide|Microban PZ|Microban S 2140|Mycostat P|Orbit|Orbit (fungicide)|PPZ|PPZ (fungicide)|Pro|1135441-15-4|125407-52-5|181591-67-3|2103217-17-8|75881-82-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024280
ARPathway2016 ARPathway2016_985 Propofol 2078-54-8 DTXSID6023523 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC=CC(C(C)C)=C1O Propofol 2078-54-8|Propofol|2,6-Bis(1-methylethyl)phenol|2,6-Bis(isopropyl)phenol|2,6-Diisopropylphenol|4-06-00-03435|Ampofol|BRN 1866484|Diprifusor|Diprivan|Diprivan 10|Diprivan Injectable emulsion|Disoprivan|Disoprofol|EINECS 218-206-6|Fresofol|NSC 5105|Phenol, 2,6-bis(1-methylethyl)-|PHENOL, 2,6-DIISOPROPYL-|Pronest|Propofol-lipuro|Propofolum|Propovan|Propoven|Rapinovet|Recofol|UNII-YI7VU623SF|28449-97-0|50356-15-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023523
ARPathway2016 ARPathway2016_985 Propofol 2078-54-8 DTXSID6023523 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CC=CC(C(C)C)=C1O Propofol 2078-54-8|Propofol|2,6-Bis(1-methylethyl)phenol|2,6-Bis(isopropyl)phenol|2,6-Diisopropylphenol|4-06-00-03435|Ampofol|BRN 1866484|Diprifusor|Diprivan|Diprivan 10|Diprivan Injectable emulsion|Disoprivan|Disoprofol|EINECS 218-206-6|Fresofol|NSC 5105|Phenol, 2,6-bis(1-methylethyl)-|PHENOL, 2,6-DIISOPROPYL-|Pronest|Propofol-lipuro|Propofolum|Propovan|Propoven|Rapinovet|Recofol|UNII-YI7VU623SF|28449-97-0|50356-15-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023523
ARPathway2016 ARPathway2016_985 Propofol 2078-54-8 DTXSID6023523 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC=CC(C(C)C)=C1O Propofol 2078-54-8|Propofol|2,6-Bis(1-methylethyl)phenol|2,6-Bis(isopropyl)phenol|2,6-Diisopropylphenol|4-06-00-03435|Ampofol|BRN 1866484|Diprifusor|Diprivan|Diprivan 10|Diprivan Injectable emulsion|Disoprivan|Disoprofol|EINECS 218-206-6|Fresofol|NSC 5105|Phenol, 2,6-bis(1-methylethyl)-|PHENOL, 2,6-DIISOPROPYL-|Pronest|Propofol-lipuro|Propofolum|Propovan|Propoven|Rapinovet|Recofol|UNII-YI7VU623SF|28449-97-0|50356-15-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023523
ARPathway2016 ARPathway2016_985 Propofol 2078-54-8 DTXSID6023523 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC=CC(C(C)C)=C1O Propofol 2078-54-8|Propofol|2,6-Bis(1-methylethyl)phenol|2,6-Bis(isopropyl)phenol|2,6-Diisopropylphenol|4-06-00-03435|Ampofol|BRN 1866484|Diprifusor|Diprivan|Diprivan 10|Diprivan Injectable emulsion|Disoprivan|Disoprofol|EINECS 218-206-6|Fresofol|NSC 5105|Phenol, 2,6-bis(1-methylethyl)-|PHENOL, 2,6-DIISOPROPYL-|Pronest|Propofol-lipuro|Propofolum|Propovan|Propoven|Rapinovet|Recofol|UNII-YI7VU623SF|28449-97-0|50356-15-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023523
ERPathway2016 ERPathway2016_1371 Propofol 2078-54-8 DTXSID6023523 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CC=CC(C(C)C)=C1O Propofol 2078-54-8|Propofol|2,6-Bis(1-methylethyl)phenol|2,6-Bis(isopropyl)phenol|2,6-Diisopropylphenol|4-06-00-03435|Ampofol|BRN 1866484|Diprifusor|Diprivan|Diprivan 10|Diprivan Injectable emulsion|Disoprivan|Disoprofol|EINECS 218-206-6|Fresofol|NSC 5105|Phenol, 2,6-bis(1-methylethyl)-|PHENOL, 2,6-DIISOPROPYL-|Pronest|Propofol-lipuro|Propofolum|Propovan|Propoven|Rapinovet|Recofol|UNII-YI7VU623SF|28449-97-0|50356-15-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023523
ERPathway2016 ERPathway2016_1371 Propofol 2078-54-8 DTXSID6023523 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC=CC(C(C)C)=C1O Propofol 2078-54-8|Propofol|2,6-Bis(1-methylethyl)phenol|2,6-Bis(isopropyl)phenol|2,6-Diisopropylphenol|4-06-00-03435|Ampofol|BRN 1866484|Diprifusor|Diprivan|Diprivan 10|Diprivan Injectable emulsion|Disoprivan|Disoprofol|EINECS 218-206-6|Fresofol|NSC 5105|Phenol, 2,6-bis(1-methylethyl)-|PHENOL, 2,6-DIISOPROPYL-|Pronest|Propofol-lipuro|Propofolum|Propovan|Propoven|Rapinovet|Recofol|UNII-YI7VU623SF|28449-97-0|50356-15-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023523
ERPathway2016 ERPathway2016_1371 Propofol 2078-54-8 DTXSID6023523 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC=CC(C(C)C)=C1O Propofol 2078-54-8|Propofol|2,6-Bis(1-methylethyl)phenol|2,6-Bis(isopropyl)phenol|2,6-Diisopropylphenol|4-06-00-03435|Ampofol|BRN 1866484|Diprifusor|Diprivan|Diprivan 10|Diprivan Injectable emulsion|Disoprivan|Disoprofol|EINECS 218-206-6|Fresofol|NSC 5105|Phenol, 2,6-bis(1-methylethyl)-|PHENOL, 2,6-DIISOPROPYL-|Pronest|Propofol-lipuro|Propofolum|Propovan|Propoven|Rapinovet|Recofol|UNII-YI7VU623SF|28449-97-0|50356-15-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023523
ERPathway2016 ERPathway2016_1371 Propofol 2078-54-8 DTXSID6023523 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC=CC(C(C)C)=C1O Propofol 2078-54-8|Propofol|2,6-Bis(1-methylethyl)phenol|2,6-Bis(isopropyl)phenol|2,6-Diisopropylphenol|4-06-00-03435|Ampofol|BRN 1866484|Diprifusor|Diprivan|Diprivan 10|Diprivan Injectable emulsion|Disoprivan|Disoprofol|EINECS 218-206-6|Fresofol|NSC 5105|Phenol, 2,6-bis(1-methylethyl)-|PHENOL, 2,6-DIISOPROPYL-|Pronest|Propofol-lipuro|Propofolum|Propovan|Propoven|Rapinovet|Recofol|UNII-YI7VU623SF|28449-97-0|50356-15-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023523
ARPathway2016 ARPathway2016_623 Propoxur 114-26-1 DTXSID7021948 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)OC1=CC=CC=C1OC(C)C Propoxur 114-26-1|Propoxur|2-(1-Methylethoxy)phenol methylcarbamate|2-(1-Methylethoxy)phenol, methylcarbamate|2-(1-Methylethoxy)phenyl methylcarbamate|2-(1-Methylethoxy)phenyl N-methylcarbamate|2-Isopropoxyphenyl methylcarbamate|2-Isopropoxyphenyl N-methylcarbamate|2-Isopropoxyphenyl-N-methylcarbamat|2-Isopropyloxyphenyl N-methylcarbamate|Aprocarb|Arprocarb|Bayer 39007|Bayer B 5122|Baygon|Baygon G|Blattanex|Blattosep|BRN 1879891|Carbamic acid, methyl-, o-isopropoxyphenyl ester|Caswell No. 508|Chemagro 9010|Dalf Dust|EINECS 204-043-8|EPA Pesticide Chemical Code 047802|Invisi-Gard|Isocarb|Isopropoxyphenyl methylcarbamate|Mrowkozol|NSC 379584|O-(2-Isopropoxyphenyl) N-methylcarbamate|o-Isopropoxyphenyl methylcarbamate|o-Isopropoxyphenyl N-methylcarbamate|Phenol, 2-(1-methylethoxy)-, 1-(N-methylcarbamate)|Phenol, 2-(1-methylethoxy)-, methylcarbamate|Phenol, 2-(1-methylethoxy)-,methylcarbamate|Phenol, o-isopropoxy-, methylcarbamate|Propoksuru|Propotox|Propoxur [phenol, 2-(1-methylethoxy)-, methylcarbamate]|PROPOXUR TECHNICAL|Propoxure|Propox https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021948
ARPathway2016 ARPathway2016_623 Propoxur 114-26-1 DTXSID7021948 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CNC(=O)OC1=CC=CC=C1OC(C)C Propoxur 114-26-1|Propoxur|2-(1-Methylethoxy)phenol methylcarbamate|2-(1-Methylethoxy)phenol, methylcarbamate|2-(1-Methylethoxy)phenyl methylcarbamate|2-(1-Methylethoxy)phenyl N-methylcarbamate|2-Isopropoxyphenyl methylcarbamate|2-Isopropoxyphenyl N-methylcarbamate|2-Isopropoxyphenyl-N-methylcarbamat|2-Isopropyloxyphenyl N-methylcarbamate|Aprocarb|Arprocarb|Bayer 39007|Bayer B 5122|Baygon|Baygon G|Blattanex|Blattosep|BRN 1879891|Carbamic acid, methyl-, o-isopropoxyphenyl ester|Caswell No. 508|Chemagro 9010|Dalf Dust|EINECS 204-043-8|EPA Pesticide Chemical Code 047802|Invisi-Gard|Isocarb|Isopropoxyphenyl methylcarbamate|Mrowkozol|NSC 379584|O-(2-Isopropoxyphenyl) N-methylcarbamate|o-Isopropoxyphenyl methylcarbamate|o-Isopropoxyphenyl N-methylcarbamate|Phenol, 2-(1-methylethoxy)-, 1-(N-methylcarbamate)|Phenol, 2-(1-methylethoxy)-, methylcarbamate|Phenol, 2-(1-methylethoxy)-,methylcarbamate|Phenol, o-isopropoxy-, methylcarbamate|Propoksuru|Propotox|Propoxur [phenol, 2-(1-methylethoxy)-, methylcarbamate]|PROPOXUR TECHNICAL|Propoxure|Propox https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021948
ARPathway2016 ARPathway2016_623 Propoxur 114-26-1 DTXSID7021948 0.0 AR Pathway Model, Agonist Call Inactive Unitless CNC(=O)OC1=CC=CC=C1OC(C)C Propoxur 114-26-1|Propoxur|2-(1-Methylethoxy)phenol methylcarbamate|2-(1-Methylethoxy)phenol, methylcarbamate|2-(1-Methylethoxy)phenyl methylcarbamate|2-(1-Methylethoxy)phenyl N-methylcarbamate|2-Isopropoxyphenyl methylcarbamate|2-Isopropoxyphenyl N-methylcarbamate|2-Isopropoxyphenyl-N-methylcarbamat|2-Isopropyloxyphenyl N-methylcarbamate|Aprocarb|Arprocarb|Bayer 39007|Bayer B 5122|Baygon|Baygon G|Blattanex|Blattosep|BRN 1879891|Carbamic acid, methyl-, o-isopropoxyphenyl ester|Caswell No. 508|Chemagro 9010|Dalf Dust|EINECS 204-043-8|EPA Pesticide Chemical Code 047802|Invisi-Gard|Isocarb|Isopropoxyphenyl methylcarbamate|Mrowkozol|NSC 379584|O-(2-Isopropoxyphenyl) N-methylcarbamate|o-Isopropoxyphenyl methylcarbamate|o-Isopropoxyphenyl N-methylcarbamate|Phenol, 2-(1-methylethoxy)-, 1-(N-methylcarbamate)|Phenol, 2-(1-methylethoxy)-, methylcarbamate|Phenol, 2-(1-methylethoxy)-,methylcarbamate|Phenol, o-isopropoxy-, methylcarbamate|Propoksuru|Propotox|Propoxur [phenol, 2-(1-methylethoxy)-, methylcarbamate]|PROPOXUR TECHNICAL|Propoxure|Propox https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021948
ARPathway2016 ARPathway2016_623 Propoxur 114-26-1 DTXSID7021948 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CNC(=O)OC1=CC=CC=C1OC(C)C Propoxur 114-26-1|Propoxur|2-(1-Methylethoxy)phenol methylcarbamate|2-(1-Methylethoxy)phenol, methylcarbamate|2-(1-Methylethoxy)phenyl methylcarbamate|2-(1-Methylethoxy)phenyl N-methylcarbamate|2-Isopropoxyphenyl methylcarbamate|2-Isopropoxyphenyl N-methylcarbamate|2-Isopropoxyphenyl-N-methylcarbamat|2-Isopropyloxyphenyl N-methylcarbamate|Aprocarb|Arprocarb|Bayer 39007|Bayer B 5122|Baygon|Baygon G|Blattanex|Blattosep|BRN 1879891|Carbamic acid, methyl-, o-isopropoxyphenyl ester|Caswell No. 508|Chemagro 9010|Dalf Dust|EINECS 204-043-8|EPA Pesticide Chemical Code 047802|Invisi-Gard|Isocarb|Isopropoxyphenyl methylcarbamate|Mrowkozol|NSC 379584|O-(2-Isopropoxyphenyl) N-methylcarbamate|o-Isopropoxyphenyl methylcarbamate|o-Isopropoxyphenyl N-methylcarbamate|Phenol, 2-(1-methylethoxy)-, 1-(N-methylcarbamate)|Phenol, 2-(1-methylethoxy)-, methylcarbamate|Phenol, 2-(1-methylethoxy)-,methylcarbamate|Phenol, o-isopropoxy-, methylcarbamate|Propoksuru|Propotox|Propoxur [phenol, 2-(1-methylethoxy)-, methylcarbamate]|PROPOXUR TECHNICAL|Propoxure|Propox https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021948
ERPathway2016 ERPathway2016_1185 Propoxur 114-26-1 DTXSID7021948 ER Pathway Model, Agonist Model Score 0 Unitless CNC(=O)OC1=CC=CC=C1OC(C)C Propoxur 114-26-1|Propoxur|2-(1-Methylethoxy)phenol methylcarbamate|2-(1-Methylethoxy)phenol, methylcarbamate|2-(1-Methylethoxy)phenyl methylcarbamate|2-(1-Methylethoxy)phenyl N-methylcarbamate|2-Isopropoxyphenyl methylcarbamate|2-Isopropoxyphenyl N-methylcarbamate|2-Isopropoxyphenyl-N-methylcarbamat|2-Isopropyloxyphenyl N-methylcarbamate|Aprocarb|Arprocarb|Bayer 39007|Bayer B 5122|Baygon|Baygon G|Blattanex|Blattosep|BRN 1879891|Carbamic acid, methyl-, o-isopropoxyphenyl ester|Caswell No. 508|Chemagro 9010|Dalf Dust|EINECS 204-043-8|EPA Pesticide Chemical Code 047802|Invisi-Gard|Isocarb|Isopropoxyphenyl methylcarbamate|Mrowkozol|NSC 379584|O-(2-Isopropoxyphenyl) N-methylcarbamate|o-Isopropoxyphenyl methylcarbamate|o-Isopropoxyphenyl N-methylcarbamate|Phenol, 2-(1-methylethoxy)-, 1-(N-methylcarbamate)|Phenol, 2-(1-methylethoxy)-, methylcarbamate|Phenol, 2-(1-methylethoxy)-,methylcarbamate|Phenol, o-isopropoxy-, methylcarbamate|Propoksuru|Propotox|Propoxur [phenol, 2-(1-methylethoxy)-, methylcarbamate]|PROPOXUR TECHNICAL|Propoxure|Propox https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021948
ERPathway2016 ERPathway2016_1185 Propoxur 114-26-1 DTXSID7021948 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)OC1=CC=CC=C1OC(C)C Propoxur 114-26-1|Propoxur|2-(1-Methylethoxy)phenol methylcarbamate|2-(1-Methylethoxy)phenol, methylcarbamate|2-(1-Methylethoxy)phenyl methylcarbamate|2-(1-Methylethoxy)phenyl N-methylcarbamate|2-Isopropoxyphenyl methylcarbamate|2-Isopropoxyphenyl N-methylcarbamate|2-Isopropoxyphenyl-N-methylcarbamat|2-Isopropyloxyphenyl N-methylcarbamate|Aprocarb|Arprocarb|Bayer 39007|Bayer B 5122|Baygon|Baygon G|Blattanex|Blattosep|BRN 1879891|Carbamic acid, methyl-, o-isopropoxyphenyl ester|Caswell No. 508|Chemagro 9010|Dalf Dust|EINECS 204-043-8|EPA Pesticide Chemical Code 047802|Invisi-Gard|Isocarb|Isopropoxyphenyl methylcarbamate|Mrowkozol|NSC 379584|O-(2-Isopropoxyphenyl) N-methylcarbamate|o-Isopropoxyphenyl methylcarbamate|o-Isopropoxyphenyl N-methylcarbamate|Phenol, 2-(1-methylethoxy)-, 1-(N-methylcarbamate)|Phenol, 2-(1-methylethoxy)-, methylcarbamate|Phenol, 2-(1-methylethoxy)-,methylcarbamate|Phenol, o-isopropoxy-, methylcarbamate|Propoksuru|Propotox|Propoxur [phenol, 2-(1-methylethoxy)-, methylcarbamate]|PROPOXUR TECHNICAL|Propoxure|Propox https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021948
ERPathway2016 ERPathway2016_1185 Propoxur 114-26-1 DTXSID7021948 ER Pathway Model, Agonist Call Inactive Unitless CNC(=O)OC1=CC=CC=C1OC(C)C Propoxur 114-26-1|Propoxur|2-(1-Methylethoxy)phenol methylcarbamate|2-(1-Methylethoxy)phenol, methylcarbamate|2-(1-Methylethoxy)phenyl methylcarbamate|2-(1-Methylethoxy)phenyl N-methylcarbamate|2-Isopropoxyphenyl methylcarbamate|2-Isopropoxyphenyl N-methylcarbamate|2-Isopropoxyphenyl-N-methylcarbamat|2-Isopropyloxyphenyl N-methylcarbamate|Aprocarb|Arprocarb|Bayer 39007|Bayer B 5122|Baygon|Baygon G|Blattanex|Blattosep|BRN 1879891|Carbamic acid, methyl-, o-isopropoxyphenyl ester|Caswell No. 508|Chemagro 9010|Dalf Dust|EINECS 204-043-8|EPA Pesticide Chemical Code 047802|Invisi-Gard|Isocarb|Isopropoxyphenyl methylcarbamate|Mrowkozol|NSC 379584|O-(2-Isopropoxyphenyl) N-methylcarbamate|o-Isopropoxyphenyl methylcarbamate|o-Isopropoxyphenyl N-methylcarbamate|Phenol, 2-(1-methylethoxy)-, 1-(N-methylcarbamate)|Phenol, 2-(1-methylethoxy)-, methylcarbamate|Phenol, 2-(1-methylethoxy)-,methylcarbamate|Phenol, o-isopropoxy-, methylcarbamate|Propoksuru|Propotox|Propoxur [phenol, 2-(1-methylethoxy)-, methylcarbamate]|PROPOXUR TECHNICAL|Propoxure|Propox https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021948
ERPathway2016 ERPathway2016_1185 Propoxur 114-26-1 DTXSID7021948 ER Pathway Model, Antagonist Call Inactive Unitless CNC(=O)OC1=CC=CC=C1OC(C)C Propoxur 114-26-1|Propoxur|2-(1-Methylethoxy)phenol methylcarbamate|2-(1-Methylethoxy)phenol, methylcarbamate|2-(1-Methylethoxy)phenyl methylcarbamate|2-(1-Methylethoxy)phenyl N-methylcarbamate|2-Isopropoxyphenyl methylcarbamate|2-Isopropoxyphenyl N-methylcarbamate|2-Isopropoxyphenyl-N-methylcarbamat|2-Isopropyloxyphenyl N-methylcarbamate|Aprocarb|Arprocarb|Bayer 39007|Bayer B 5122|Baygon|Baygon G|Blattanex|Blattosep|BRN 1879891|Carbamic acid, methyl-, o-isopropoxyphenyl ester|Caswell No. 508|Chemagro 9010|Dalf Dust|EINECS 204-043-8|EPA Pesticide Chemical Code 047802|Invisi-Gard|Isocarb|Isopropoxyphenyl methylcarbamate|Mrowkozol|NSC 379584|O-(2-Isopropoxyphenyl) N-methylcarbamate|o-Isopropoxyphenyl methylcarbamate|o-Isopropoxyphenyl N-methylcarbamate|Phenol, 2-(1-methylethoxy)-, 1-(N-methylcarbamate)|Phenol, 2-(1-methylethoxy)-, methylcarbamate|Phenol, 2-(1-methylethoxy)-,methylcarbamate|Phenol, o-isopropoxy-, methylcarbamate|Propoksuru|Propotox|Propoxur [phenol, 2-(1-methylethoxy)-, methylcarbamate]|PROPOXUR TECHNICAL|Propoxure|Propox https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021948
ARPathway2016 ARPathway2016_947 Propoxycarbazone-sodium 181274-15-7 DTXSID9034864 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCOC1=NN(C(=O)[N-]S(=O)(=O)C2=C(C=CC=C2)C(=O)OC)C(=O)N1C Propoxycarbazone-sodium 181274-15-7|Propoxycarbazone-sodium|Attribut|BAY-MKH 6561|Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt|Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)|EC No.: 605-920-1|Methyl 2-((((4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl)amino)sulfonyl)benzoate sodium salt|MKH 6561|Olympus|Procarbazone sodium|Propoxycarbazone sodium|Propoxycarbazone sodium salt|Sodium ((2-(methoxycarbonyl)phenyl)sulfonyl)((4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl)azanide|sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide|UNII-B7Z8Z1D27B|239090-29-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034864
ARPathway2016 ARPathway2016_947 Propoxycarbazone-sodium 181274-15-7 DTXSID9034864 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCOC1=NN(C(=O)[N-]S(=O)(=O)C2=C(C=CC=C2)C(=O)OC)C(=O)N1C Propoxycarbazone-sodium 181274-15-7|Propoxycarbazone-sodium|Attribut|BAY-MKH 6561|Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt|Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)|EC No.: 605-920-1|Methyl 2-((((4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl)amino)sulfonyl)benzoate sodium salt|MKH 6561|Olympus|Procarbazone sodium|Propoxycarbazone sodium|Propoxycarbazone sodium salt|Sodium ((2-(methoxycarbonyl)phenyl)sulfonyl)((4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl)azanide|sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide|UNII-B7Z8Z1D27B|239090-29-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034864
ARPathway2016 ARPathway2016_947 Propoxycarbazone-sodium 181274-15-7 DTXSID9034864 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CCCOC1=NN(C(=O)[N-]S(=O)(=O)C2=C(C=CC=C2)C(=O)OC)C(=O)N1C Propoxycarbazone-sodium 181274-15-7|Propoxycarbazone-sodium|Attribut|BAY-MKH 6561|Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt|Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)|EC No.: 605-920-1|Methyl 2-((((4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl)amino)sulfonyl)benzoate sodium salt|MKH 6561|Olympus|Procarbazone sodium|Propoxycarbazone sodium|Propoxycarbazone sodium salt|Sodium ((2-(methoxycarbonyl)phenyl)sulfonyl)((4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl)azanide|sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide|UNII-B7Z8Z1D27B|239090-29-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034864
ARPathway2016 ARPathway2016_947 Propoxycarbazone-sodium 181274-15-7 DTXSID9034864 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCOC1=NN(C(=O)[N-]S(=O)(=O)C2=C(C=CC=C2)C(=O)OC)C(=O)N1C Propoxycarbazone-sodium 181274-15-7|Propoxycarbazone-sodium|Attribut|BAY-MKH 6561|Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt|Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)|EC No.: 605-920-1|Methyl 2-((((4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl)amino)sulfonyl)benzoate sodium salt|MKH 6561|Olympus|Procarbazone sodium|Propoxycarbazone sodium|Propoxycarbazone sodium salt|Sodium ((2-(methoxycarbonyl)phenyl)sulfonyl)((4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl)azanide|sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide|UNII-B7Z8Z1D27B|239090-29-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034864
ERPathway2016 ERPathway2016_1349 Propoxycarbazone-sodium 181274-15-7 DTXSID9034864 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCOC1=NN(C(=O)[N-]S(=O)(=O)C2=C(C=CC=C2)C(=O)OC)C(=O)N1C Propoxycarbazone-sodium 181274-15-7|Propoxycarbazone-sodium|Attribut|BAY-MKH 6561|Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt|Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)|EC No.: 605-920-1|Methyl 2-((((4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl)amino)sulfonyl)benzoate sodium salt|MKH 6561|Olympus|Procarbazone sodium|Propoxycarbazone sodium|Propoxycarbazone sodium salt|Sodium ((2-(methoxycarbonyl)phenyl)sulfonyl)((4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl)azanide|sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide|UNII-B7Z8Z1D27B|239090-29-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034864
ERPathway2016 ERPathway2016_1349 Propoxycarbazone-sodium 181274-15-7 DTXSID9034864 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCOC1=NN(C(=O)[N-]S(=O)(=O)C2=C(C=CC=C2)C(=O)OC)C(=O)N1C Propoxycarbazone-sodium 181274-15-7|Propoxycarbazone-sodium|Attribut|BAY-MKH 6561|Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt|Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)|EC No.: 605-920-1|Methyl 2-((((4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl)amino)sulfonyl)benzoate sodium salt|MKH 6561|Olympus|Procarbazone sodium|Propoxycarbazone sodium|Propoxycarbazone sodium salt|Sodium ((2-(methoxycarbonyl)phenyl)sulfonyl)((4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl)azanide|sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide|UNII-B7Z8Z1D27B|239090-29-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034864
ERPathway2016 ERPathway2016_1349 Propoxycarbazone-sodium 181274-15-7 DTXSID9034864 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CCCOC1=NN(C(=O)[N-]S(=O)(=O)C2=C(C=CC=C2)C(=O)OC)C(=O)N1C Propoxycarbazone-sodium 181274-15-7|Propoxycarbazone-sodium|Attribut|BAY-MKH 6561|Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt|Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)|EC No.: 605-920-1|Methyl 2-((((4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl)amino)sulfonyl)benzoate sodium salt|MKH 6561|Olympus|Procarbazone sodium|Propoxycarbazone sodium|Propoxycarbazone sodium salt|Sodium ((2-(methoxycarbonyl)phenyl)sulfonyl)((4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl)azanide|sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide|UNII-B7Z8Z1D27B|239090-29-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034864
ERPathway2016 ERPathway2016_1349 Propoxycarbazone-sodium 181274-15-7 DTXSID9034864 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCOC1=NN(C(=O)[N-]S(=O)(=O)C2=C(C=CC=C2)C(=O)OC)C(=O)N1C Propoxycarbazone-sodium 181274-15-7|Propoxycarbazone-sodium|Attribut|BAY-MKH 6561|Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt|Benzoic acid, 2-[[[(4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)|EC No.: 605-920-1|Methyl 2-((((4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl)amino)sulfonyl)benzoate sodium salt|MKH 6561|Olympus|Procarbazone sodium|Propoxycarbazone sodium|Propoxycarbazone sodium salt|Sodium ((2-(methoxycarbonyl)phenyl)sulfonyl)((4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl)azanide|sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide|UNII-B7Z8Z1D27B|239090-29-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034864
ARPathway2016 ARPathway2016_439 Propylbenzene 103-65-1 DTXSID3042219 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC1=CC=CC=C1 Propylbenzene 103-65-1|Propylbenzene|1-Phenylpropane|1-Propylbenzene|Benzene, propyl-|EINECS 203-132-9|Isocumene|n-Propylbenzene|NSC 16941|Phenylpropane|propilbenceno|Propylbenzol|UN 2364|UNII-0WR86ZHG2Z|74296-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042219
ARPathway2016 ARPathway2016_439 Propylbenzene 103-65-1 DTXSID3042219 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCC1=CC=CC=C1 Propylbenzene 103-65-1|Propylbenzene|1-Phenylpropane|1-Propylbenzene|Benzene, propyl-|EINECS 203-132-9|Isocumene|n-Propylbenzene|NSC 16941|Phenylpropane|propilbenceno|Propylbenzol|UN 2364|UNII-0WR86ZHG2Z|74296-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042219
ARPathway2016 ARPathway2016_439 Propylbenzene 103-65-1 DTXSID3042219 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCC1=CC=CC=C1 Propylbenzene 103-65-1|Propylbenzene|1-Phenylpropane|1-Propylbenzene|Benzene, propyl-|EINECS 203-132-9|Isocumene|n-Propylbenzene|NSC 16941|Phenylpropane|propilbenceno|Propylbenzol|UN 2364|UNII-0WR86ZHG2Z|74296-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042219
ARPathway2016 ARPathway2016_439 Propylbenzene 103-65-1 DTXSID3042219 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCC1=CC=CC=C1 Propylbenzene 103-65-1|Propylbenzene|1-Phenylpropane|1-Propylbenzene|Benzene, propyl-|EINECS 203-132-9|Isocumene|n-Propylbenzene|NSC 16941|Phenylpropane|propilbenceno|Propylbenzol|UN 2364|UNII-0WR86ZHG2Z|74296-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042219
ERPathway2016 ERPathway2016_1071 Propylbenzene 103-65-1 DTXSID3042219 ER Pathway Model, Agonist Model Score 0 Unitless CCCC1=CC=CC=C1 Propylbenzene 103-65-1|Propylbenzene|1-Phenylpropane|1-Propylbenzene|Benzene, propyl-|EINECS 203-132-9|Isocumene|n-Propylbenzene|NSC 16941|Phenylpropane|propilbenceno|Propylbenzol|UN 2364|UNII-0WR86ZHG2Z|74296-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042219
ERPathway2016 ERPathway2016_1071 Propylbenzene 103-65-1 DTXSID3042219 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC1=CC=CC=C1 Propylbenzene 103-65-1|Propylbenzene|1-Phenylpropane|1-Propylbenzene|Benzene, propyl-|EINECS 203-132-9|Isocumene|n-Propylbenzene|NSC 16941|Phenylpropane|propilbenceno|Propylbenzol|UN 2364|UNII-0WR86ZHG2Z|74296-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042219
ERPathway2016 ERPathway2016_1071 Propylbenzene 103-65-1 DTXSID3042219 ER Pathway Model, Agonist Call Inactive Unitless CCCC1=CC=CC=C1 Propylbenzene 103-65-1|Propylbenzene|1-Phenylpropane|1-Propylbenzene|Benzene, propyl-|EINECS 203-132-9|Isocumene|n-Propylbenzene|NSC 16941|Phenylpropane|propilbenceno|Propylbenzol|UN 2364|UNII-0WR86ZHG2Z|74296-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042219
ERPathway2016 ERPathway2016_1071 Propylbenzene 103-65-1 DTXSID3042219 ER Pathway Model, Antagonist Call Inactive Unitless CCCC1=CC=CC=C1 Propylbenzene 103-65-1|Propylbenzene|1-Phenylpropane|1-Propylbenzene|Benzene, propyl-|EINECS 203-132-9|Isocumene|n-Propylbenzene|NSC 16941|Phenylpropane|propilbenceno|Propylbenzol|UN 2364|UNII-0WR86ZHG2Z|74296-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042219
ARPathway2016 ARPathway2016_506 Propylene carbonate 108-32-7 DTXSID2026789 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1COC(=O)O1 Propylene carbonate 108-32-7|Propylene carbonate|1-Methylethylene carbonate|1,2-Propanediol carbonate|1,2-Propanediol cyclic carbonate|1,2-Propanediyl carbonate|1,2-PROPYLEN-CARBONAT|1,2-Propylene carbonate|1,3-Dioxolan-2-one, 4-methyl-|1,3-DIOXOLANE-2-ONE, 4-METHYL-|2-Methyl-1,2-ethylene carbonate|2-Oxo-4-methyl-1, 3-dioxolan|2-Oxo-4-methyl-1,3-dioxolane|4-Methyl-1,3-dioxolan-2-one|4-Methyl-1,3-dioxolane-2-one|4-Methyl-2-oxo-1,3-dioxolane|4-Methyldioxalone-2|5-19-04-00021|Arconate 1000|Arconate 5000|Arconate HP|BRN 0107913|Carbonate de propylene|carbonato de propileno|Carbonic acid cyclic 1,2-propylene ester|Carbonic acid cyclic methylethylene ester|Carbonic acid, cyclic propylene ester|Carbonic acid, cyclic propylene ether|Carbonic acid, propylene ester|Cyclic 1,2-propylene carbonate|Cyclic methylethylene carbonate|Cyclic propylene carbonate|Dipropylene carbonate|EINECS 203-572-1|Jeffsol PC|NSC 11784|NSC 1913|Propylencarbonat|Propylene glycol cyclic carbonate|Propylenester kyseliny uhlicite|Texacar PC|UNII-8D08K3S51E|104083-03-6|127128-76-1|30141-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026789
ARPathway2016 ARPathway2016_506 Propylene carbonate 108-32-7 DTXSID2026789 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1COC(=O)O1 Propylene carbonate 108-32-7|Propylene carbonate|1-Methylethylene carbonate|1,2-Propanediol carbonate|1,2-Propanediol cyclic carbonate|1,2-Propanediyl carbonate|1,2-PROPYLEN-CARBONAT|1,2-Propylene carbonate|1,3-Dioxolan-2-one, 4-methyl-|1,3-DIOXOLANE-2-ONE, 4-METHYL-|2-Methyl-1,2-ethylene carbonate|2-Oxo-4-methyl-1, 3-dioxolan|2-Oxo-4-methyl-1,3-dioxolane|4-Methyl-1,3-dioxolan-2-one|4-Methyl-1,3-dioxolane-2-one|4-Methyl-2-oxo-1,3-dioxolane|4-Methyldioxalone-2|5-19-04-00021|Arconate 1000|Arconate 5000|Arconate HP|BRN 0107913|Carbonate de propylene|carbonato de propileno|Carbonic acid cyclic 1,2-propylene ester|Carbonic acid cyclic methylethylene ester|Carbonic acid, cyclic propylene ester|Carbonic acid, cyclic propylene ether|Carbonic acid, propylene ester|Cyclic 1,2-propylene carbonate|Cyclic methylethylene carbonate|Cyclic propylene carbonate|Dipropylene carbonate|EINECS 203-572-1|Jeffsol PC|NSC 11784|NSC 1913|Propylencarbonat|Propylene glycol cyclic carbonate|Propylenester kyseliny uhlicite|Texacar PC|UNII-8D08K3S51E|104083-03-6|127128-76-1|30141-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026789
ARPathway2016 ARPathway2016_506 Propylene carbonate 108-32-7 DTXSID2026789 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1COC(=O)O1 Propylene carbonate 108-32-7|Propylene carbonate|1-Methylethylene carbonate|1,2-Propanediol carbonate|1,2-Propanediol cyclic carbonate|1,2-Propanediyl carbonate|1,2-PROPYLEN-CARBONAT|1,2-Propylene carbonate|1,3-Dioxolan-2-one, 4-methyl-|1,3-DIOXOLANE-2-ONE, 4-METHYL-|2-Methyl-1,2-ethylene carbonate|2-Oxo-4-methyl-1, 3-dioxolan|2-Oxo-4-methyl-1,3-dioxolane|4-Methyl-1,3-dioxolan-2-one|4-Methyl-1,3-dioxolane-2-one|4-Methyl-2-oxo-1,3-dioxolane|4-Methyldioxalone-2|5-19-04-00021|Arconate 1000|Arconate 5000|Arconate HP|BRN 0107913|Carbonate de propylene|carbonato de propileno|Carbonic acid cyclic 1,2-propylene ester|Carbonic acid cyclic methylethylene ester|Carbonic acid, cyclic propylene ester|Carbonic acid, cyclic propylene ether|Carbonic acid, propylene ester|Cyclic 1,2-propylene carbonate|Cyclic methylethylene carbonate|Cyclic propylene carbonate|Dipropylene carbonate|EINECS 203-572-1|Jeffsol PC|NSC 11784|NSC 1913|Propylencarbonat|Propylene glycol cyclic carbonate|Propylenester kyseliny uhlicite|Texacar PC|UNII-8D08K3S51E|104083-03-6|127128-76-1|30141-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026789
ARPathway2016 ARPathway2016_506 Propylene carbonate 108-32-7 DTXSID2026789 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1COC(=O)O1 Propylene carbonate 108-32-7|Propylene carbonate|1-Methylethylene carbonate|1,2-Propanediol carbonate|1,2-Propanediol cyclic carbonate|1,2-Propanediyl carbonate|1,2-PROPYLEN-CARBONAT|1,2-Propylene carbonate|1,3-Dioxolan-2-one, 4-methyl-|1,3-DIOXOLANE-2-ONE, 4-METHYL-|2-Methyl-1,2-ethylene carbonate|2-Oxo-4-methyl-1, 3-dioxolan|2-Oxo-4-methyl-1,3-dioxolane|4-Methyl-1,3-dioxolan-2-one|4-Methyl-1,3-dioxolane-2-one|4-Methyl-2-oxo-1,3-dioxolane|4-Methyldioxalone-2|5-19-04-00021|Arconate 1000|Arconate 5000|Arconate HP|BRN 0107913|Carbonate de propylene|carbonato de propileno|Carbonic acid cyclic 1,2-propylene ester|Carbonic acid cyclic methylethylene ester|Carbonic acid, cyclic propylene ester|Carbonic acid, cyclic propylene ether|Carbonic acid, propylene ester|Cyclic 1,2-propylene carbonate|Cyclic methylethylene carbonate|Cyclic propylene carbonate|Dipropylene carbonate|EINECS 203-572-1|Jeffsol PC|NSC 11784|NSC 1913|Propylencarbonat|Propylene glycol cyclic carbonate|Propylenester kyseliny uhlicite|Texacar PC|UNII-8D08K3S51E|104083-03-6|127128-76-1|30141-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026789
ERPathway2016 ERPathway2016_1108 Propylene carbonate 108-32-7 DTXSID2026789 ER Pathway Model, Agonist Model Score 0 Unitless CC1COC(=O)O1 Propylene carbonate 108-32-7|Propylene carbonate|1-Methylethylene carbonate|1,2-Propanediol carbonate|1,2-Propanediol cyclic carbonate|1,2-Propanediyl carbonate|1,2-PROPYLEN-CARBONAT|1,2-Propylene carbonate|1,3-Dioxolan-2-one, 4-methyl-|1,3-DIOXOLANE-2-ONE, 4-METHYL-|2-Methyl-1,2-ethylene carbonate|2-Oxo-4-methyl-1, 3-dioxolan|2-Oxo-4-methyl-1,3-dioxolane|4-Methyl-1,3-dioxolan-2-one|4-Methyl-1,3-dioxolane-2-one|4-Methyl-2-oxo-1,3-dioxolane|4-Methyldioxalone-2|5-19-04-00021|Arconate 1000|Arconate 5000|Arconate HP|BRN 0107913|Carbonate de propylene|carbonato de propileno|Carbonic acid cyclic 1,2-propylene ester|Carbonic acid cyclic methylethylene ester|Carbonic acid, cyclic propylene ester|Carbonic acid, cyclic propylene ether|Carbonic acid, propylene ester|Cyclic 1,2-propylene carbonate|Cyclic methylethylene carbonate|Cyclic propylene carbonate|Dipropylene carbonate|EINECS 203-572-1|Jeffsol PC|NSC 11784|NSC 1913|Propylencarbonat|Propylene glycol cyclic carbonate|Propylenester kyseliny uhlicite|Texacar PC|UNII-8D08K3S51E|104083-03-6|127128-76-1|30141-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026789
ERPathway2016 ERPathway2016_1108 Propylene carbonate 108-32-7 DTXSID2026789 ER Pathway Model, Antagonist Model Score 0 Unitless CC1COC(=O)O1 Propylene carbonate 108-32-7|Propylene carbonate|1-Methylethylene carbonate|1,2-Propanediol carbonate|1,2-Propanediol cyclic carbonate|1,2-Propanediyl carbonate|1,2-PROPYLEN-CARBONAT|1,2-Propylene carbonate|1,3-Dioxolan-2-one, 4-methyl-|1,3-DIOXOLANE-2-ONE, 4-METHYL-|2-Methyl-1,2-ethylene carbonate|2-Oxo-4-methyl-1, 3-dioxolan|2-Oxo-4-methyl-1,3-dioxolane|4-Methyl-1,3-dioxolan-2-one|4-Methyl-1,3-dioxolane-2-one|4-Methyl-2-oxo-1,3-dioxolane|4-Methyldioxalone-2|5-19-04-00021|Arconate 1000|Arconate 5000|Arconate HP|BRN 0107913|Carbonate de propylene|carbonato de propileno|Carbonic acid cyclic 1,2-propylene ester|Carbonic acid cyclic methylethylene ester|Carbonic acid, cyclic propylene ester|Carbonic acid, cyclic propylene ether|Carbonic acid, propylene ester|Cyclic 1,2-propylene carbonate|Cyclic methylethylene carbonate|Cyclic propylene carbonate|Dipropylene carbonate|EINECS 203-572-1|Jeffsol PC|NSC 11784|NSC 1913|Propylencarbonat|Propylene glycol cyclic carbonate|Propylenester kyseliny uhlicite|Texacar PC|UNII-8D08K3S51E|104083-03-6|127128-76-1|30141-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026789
ERPathway2016 ERPathway2016_1108 Propylene carbonate 108-32-7 DTXSID2026789 ER Pathway Model, Agonist Call Inactive Unitless CC1COC(=O)O1 Propylene carbonate 108-32-7|Propylene carbonate|1-Methylethylene carbonate|1,2-Propanediol carbonate|1,2-Propanediol cyclic carbonate|1,2-Propanediyl carbonate|1,2-PROPYLEN-CARBONAT|1,2-Propylene carbonate|1,3-Dioxolan-2-one, 4-methyl-|1,3-DIOXOLANE-2-ONE, 4-METHYL-|2-Methyl-1,2-ethylene carbonate|2-Oxo-4-methyl-1, 3-dioxolan|2-Oxo-4-methyl-1,3-dioxolane|4-Methyl-1,3-dioxolan-2-one|4-Methyl-1,3-dioxolane-2-one|4-Methyl-2-oxo-1,3-dioxolane|4-Methyldioxalone-2|5-19-04-00021|Arconate 1000|Arconate 5000|Arconate HP|BRN 0107913|Carbonate de propylene|carbonato de propileno|Carbonic acid cyclic 1,2-propylene ester|Carbonic acid cyclic methylethylene ester|Carbonic acid, cyclic propylene ester|Carbonic acid, cyclic propylene ether|Carbonic acid, propylene ester|Cyclic 1,2-propylene carbonate|Cyclic methylethylene carbonate|Cyclic propylene carbonate|Dipropylene carbonate|EINECS 203-572-1|Jeffsol PC|NSC 11784|NSC 1913|Propylencarbonat|Propylene glycol cyclic carbonate|Propylenester kyseliny uhlicite|Texacar PC|UNII-8D08K3S51E|104083-03-6|127128-76-1|30141-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026789
ERPathway2016 ERPathway2016_1108 Propylene carbonate 108-32-7 DTXSID2026789 ER Pathway Model, Antagonist Call Inactive Unitless CC1COC(=O)O1 Propylene carbonate 108-32-7|Propylene carbonate|1-Methylethylene carbonate|1,2-Propanediol carbonate|1,2-Propanediol cyclic carbonate|1,2-Propanediyl carbonate|1,2-PROPYLEN-CARBONAT|1,2-Propylene carbonate|1,3-Dioxolan-2-one, 4-methyl-|1,3-DIOXOLANE-2-ONE, 4-METHYL-|2-Methyl-1,2-ethylene carbonate|2-Oxo-4-methyl-1, 3-dioxolan|2-Oxo-4-methyl-1,3-dioxolane|4-Methyl-1,3-dioxolan-2-one|4-Methyl-1,3-dioxolane-2-one|4-Methyl-2-oxo-1,3-dioxolane|4-Methyldioxalone-2|5-19-04-00021|Arconate 1000|Arconate 5000|Arconate HP|BRN 0107913|Carbonate de propylene|carbonato de propileno|Carbonic acid cyclic 1,2-propylene ester|Carbonic acid cyclic methylethylene ester|Carbonic acid, cyclic propylene ester|Carbonic acid, cyclic propylene ether|Carbonic acid, propylene ester|Cyclic 1,2-propylene carbonate|Cyclic methylethylene carbonate|Cyclic propylene carbonate|Dipropylene carbonate|EINECS 203-572-1|Jeffsol PC|NSC 11784|NSC 1913|Propylencarbonat|Propylene glycol cyclic carbonate|Propylenester kyseliny uhlicite|Texacar PC|UNII-8D08K3S51E|104083-03-6|127128-76-1|30141-77-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026789
ARPathway2016 ARPathway2016_1736 Propylparaben 94-13-3 DTXSID4022527 1.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCOC(=O)C1=CC=C(O)C=C1 Propylparaben 94-13-3|Propylparaben|4-10-00-00374|4-hidroxibenzoato de propilo|4-Hydroxybenzoate de propyle|4-HYDROXYBENZOESAEURE-PROPYLESTER|4-Hydroxybenzoic acid propyl ester|4-HYDROXYBENZOIC ACID PROPYLESTER|4-Hydroxybenzoic acid, propyl ester|Aseptoform P|Bayer D 206|BENZOATE, 4-HYDROXY-, PROPYL|Benzoic acid, 4-hydroxy-, propyl ester|Benzoic acid, p-hydroxy-, propyl ester|Betacide p|Betacine p|Bonomold OP|BRN 1103245|Caswell No. 714|Chemacide PK|Chemocide PK|Chemoside PK|EINECS 202-307-7|EPA Pesticide Chemical Code 061203|FEMA No. 2951|FEMA Number 2951|Lexgard p|Mekkings P|n-Propyl 4-hydroxybenzoate|n-Propyl p-hydroxybenzoate|N-Propyl-p-hydroxybenzoate|n-Propylparaben|Nipagin P|Nipasol|Nipasol M|Nipasol P|Nipazol|NSC 23515|NSC 8511|P-Hydroxybenzoic acid N-propyl ester|p-Hydroxybenzoic acid propyl ester|p-Hydroxybenzoic acid, propyl ester|p-Hydroxybenzoic propyl ester|p-Hydroxypropyl benzoate|p-Oxybenzoesaeurepropylester|p-Oxybenzoesaurepropylester|Paraben|Paraben P|Paseptol|Preserval P|Propagin|propyl 4-hydroxybenzoate|Propyl aseptoform|Pro|58339-85-8|59593-07-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022527 https://doi.org/10.22427/NTP-DATA-DTXSID4022527
ARPathway2016 ARPathway2016_1736 Propylparaben 94-13-3 DTXSID4022527 1.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCOC(=O)C1=CC=C(O)C=C1 Propylparaben 94-13-3|Propylparaben|4-10-00-00374|4-hidroxibenzoato de propilo|4-Hydroxybenzoate de propyle|4-HYDROXYBENZOESAEURE-PROPYLESTER|4-Hydroxybenzoic acid propyl ester|4-HYDROXYBENZOIC ACID PROPYLESTER|4-Hydroxybenzoic acid, propyl ester|Aseptoform P|Bayer D 206|BENZOATE, 4-HYDROXY-, PROPYL|Benzoic acid, 4-hydroxy-, propyl ester|Benzoic acid, p-hydroxy-, propyl ester|Betacide p|Betacine p|Bonomold OP|BRN 1103245|Caswell No. 714|Chemacide PK|Chemocide PK|Chemoside PK|EINECS 202-307-7|EPA Pesticide Chemical Code 061203|FEMA No. 2951|FEMA Number 2951|Lexgard p|Mekkings P|n-Propyl 4-hydroxybenzoate|n-Propyl p-hydroxybenzoate|N-Propyl-p-hydroxybenzoate|n-Propylparaben|Nipagin P|Nipasol|Nipasol M|Nipasol P|Nipazol|NSC 23515|NSC 8511|P-Hydroxybenzoic acid N-propyl ester|p-Hydroxybenzoic acid propyl ester|p-Hydroxybenzoic acid, propyl ester|p-Hydroxybenzoic propyl ester|p-Hydroxypropyl benzoate|p-Oxybenzoesaeurepropylester|p-Oxybenzoesaurepropylester|Paraben|Paraben P|Paseptol|Preserval P|Propagin|propyl 4-hydroxybenzoate|Propyl aseptoform|Pro|58339-85-8|59593-07-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022527 https://doi.org/10.22427/NTP-DATA-DTXSID4022527
ARPathway2016 ARPathway2016_1736 Propylparaben 94-13-3 DTXSID4022527 1.0 AR Pathway Model, Agonist Call Inactive Unitless CCCOC(=O)C1=CC=C(O)C=C1 Propylparaben 94-13-3|Propylparaben|4-10-00-00374|4-hidroxibenzoato de propilo|4-Hydroxybenzoate de propyle|4-HYDROXYBENZOESAEURE-PROPYLESTER|4-Hydroxybenzoic acid propyl ester|4-HYDROXYBENZOIC ACID PROPYLESTER|4-Hydroxybenzoic acid, propyl ester|Aseptoform P|Bayer D 206|BENZOATE, 4-HYDROXY-, PROPYL|Benzoic acid, 4-hydroxy-, propyl ester|Benzoic acid, p-hydroxy-, propyl ester|Betacide p|Betacine p|Bonomold OP|BRN 1103245|Caswell No. 714|Chemacide PK|Chemocide PK|Chemoside PK|EINECS 202-307-7|EPA Pesticide Chemical Code 061203|FEMA No. 2951|FEMA Number 2951|Lexgard p|Mekkings P|n-Propyl 4-hydroxybenzoate|n-Propyl p-hydroxybenzoate|N-Propyl-p-hydroxybenzoate|n-Propylparaben|Nipagin P|Nipasol|Nipasol M|Nipasol P|Nipazol|NSC 23515|NSC 8511|P-Hydroxybenzoic acid N-propyl ester|p-Hydroxybenzoic acid propyl ester|p-Hydroxybenzoic acid, propyl ester|p-Hydroxybenzoic propyl ester|p-Hydroxypropyl benzoate|p-Oxybenzoesaeurepropylester|p-Oxybenzoesaurepropylester|Paraben|Paraben P|Paseptol|Preserval P|Propagin|propyl 4-hydroxybenzoate|Propyl aseptoform|Pro|58339-85-8|59593-07-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022527 https://doi.org/10.22427/NTP-DATA-DTXSID4022527
ARPathway2016 ARPathway2016_1736 Propylparaben 94-13-3 DTXSID4022527 1.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCOC(=O)C1=CC=C(O)C=C1 Propylparaben 94-13-3|Propylparaben|4-10-00-00374|4-hidroxibenzoato de propilo|4-Hydroxybenzoate de propyle|4-HYDROXYBENZOESAEURE-PROPYLESTER|4-Hydroxybenzoic acid propyl ester|4-HYDROXYBENZOIC ACID PROPYLESTER|4-Hydroxybenzoic acid, propyl ester|Aseptoform P|Bayer D 206|BENZOATE, 4-HYDROXY-, PROPYL|Benzoic acid, 4-hydroxy-, propyl ester|Benzoic acid, p-hydroxy-, propyl ester|Betacide p|Betacine p|Bonomold OP|BRN 1103245|Caswell No. 714|Chemacide PK|Chemocide PK|Chemoside PK|EINECS 202-307-7|EPA Pesticide Chemical Code 061203|FEMA No. 2951|FEMA Number 2951|Lexgard p|Mekkings P|n-Propyl 4-hydroxybenzoate|n-Propyl p-hydroxybenzoate|N-Propyl-p-hydroxybenzoate|n-Propylparaben|Nipagin P|Nipasol|Nipasol M|Nipasol P|Nipazol|NSC 23515|NSC 8511|P-Hydroxybenzoic acid N-propyl ester|p-Hydroxybenzoic acid propyl ester|p-Hydroxybenzoic acid, propyl ester|p-Hydroxybenzoic propyl ester|p-Hydroxypropyl benzoate|p-Oxybenzoesaeurepropylester|p-Oxybenzoesaurepropylester|Paraben|Paraben P|Paseptol|Preserval P|Propagin|propyl 4-hydroxybenzoate|Propyl aseptoform|Pro|58339-85-8|59593-07-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022527 https://doi.org/10.22427/NTP-DATA-DTXSID4022527
ERPathway2016 ERPathway2016_199 Propylparaben 94-13-3 DTXSID4022527 Agonist ER Pathway Model, Antagonist AC50 20.5833466843994 uM CCCOC(=O)C1=CC=C(O)C=C1 Propylparaben 94-13-3|Propylparaben|4-10-00-00374|4-hidroxibenzoato de propilo|4-Hydroxybenzoate de propyle|4-HYDROXYBENZOESAEURE-PROPYLESTER|4-Hydroxybenzoic acid propyl ester|4-HYDROXYBENZOIC ACID PROPYLESTER|4-Hydroxybenzoic acid, propyl ester|Aseptoform P|Bayer D 206|BENZOATE, 4-HYDROXY-, PROPYL|Benzoic acid, 4-hydroxy-, propyl ester|Benzoic acid, p-hydroxy-, propyl ester|Betacide p|Betacine p|Bonomold OP|BRN 1103245|Caswell No. 714|Chemacide PK|Chemocide PK|Chemoside PK|EINECS 202-307-7|EPA Pesticide Chemical Code 061203|FEMA No. 2951|FEMA Number 2951|Lexgard p|Mekkings P|n-Propyl 4-hydroxybenzoate|n-Propyl p-hydroxybenzoate|N-Propyl-p-hydroxybenzoate|n-Propylparaben|Nipagin P|Nipasol|Nipasol M|Nipasol P|Nipazol|NSC 23515|NSC 8511|P-Hydroxybenzoic acid N-propyl ester|p-Hydroxybenzoic acid propyl ester|p-Hydroxybenzoic acid, propyl ester|p-Hydroxybenzoic propyl ester|p-Hydroxypropyl benzoate|p-Oxybenzoesaeurepropylester|p-Oxybenzoesaurepropylester|Paraben|Paraben P|Paseptol|Preserval P|Propagin|propyl 4-hydroxybenzoate|Propyl aseptoform|Pro|58339-85-8|59593-07-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022527 https://doi.org/10.22427/NTP-DATA-DTXSID4022527
ERPathway2016 ERPathway2016_199 Propylparaben 94-13-3 DTXSID4022527 Agonist ER Pathway Model, Antagonist ACC 4.28031382304317 uM CCCOC(=O)C1=CC=C(O)C=C1 Propylparaben 94-13-3|Propylparaben|4-10-00-00374|4-hidroxibenzoato de propilo|4-Hydroxybenzoate de propyle|4-HYDROXYBENZOESAEURE-PROPYLESTER|4-Hydroxybenzoic acid propyl ester|4-HYDROXYBENZOIC ACID PROPYLESTER|4-Hydroxybenzoic acid, propyl ester|Aseptoform P|Bayer D 206|BENZOATE, 4-HYDROXY-, PROPYL|Benzoic acid, 4-hydroxy-, propyl ester|Benzoic acid, p-hydroxy-, propyl ester|Betacide p|Betacine p|Bonomold OP|BRN 1103245|Caswell No. 714|Chemacide PK|Chemocide PK|Chemoside PK|EINECS 202-307-7|EPA Pesticide Chemical Code 061203|FEMA No. 2951|FEMA Number 2951|Lexgard p|Mekkings P|n-Propyl 4-hydroxybenzoate|n-Propyl p-hydroxybenzoate|N-Propyl-p-hydroxybenzoate|n-Propylparaben|Nipagin P|Nipasol|Nipasol M|Nipasol P|Nipazol|NSC 23515|NSC 8511|P-Hydroxybenzoic acid N-propyl ester|p-Hydroxybenzoic acid propyl ester|p-Hydroxybenzoic acid, propyl ester|p-Hydroxybenzoic propyl ester|p-Hydroxypropyl benzoate|p-Oxybenzoesaeurepropylester|p-Oxybenzoesaurepropylester|Paraben|Paraben P|Paseptol|Preserval P|Propagin|propyl 4-hydroxybenzoate|Propyl aseptoform|Pro|58339-85-8|59593-07-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022527 https://doi.org/10.22427/NTP-DATA-DTXSID4022527
ERPathway2016 ERPathway2016_199 Propylparaben 94-13-3 DTXSID4022527 Agonist ER Pathway Model, Agonist Model Score 0.205 Unitless CCCOC(=O)C1=CC=C(O)C=C1 Propylparaben 94-13-3|Propylparaben|4-10-00-00374|4-hidroxibenzoato de propilo|4-Hydroxybenzoate de propyle|4-HYDROXYBENZOESAEURE-PROPYLESTER|4-Hydroxybenzoic acid propyl ester|4-HYDROXYBENZOIC ACID PROPYLESTER|4-Hydroxybenzoic acid, propyl ester|Aseptoform P|Bayer D 206|BENZOATE, 4-HYDROXY-, PROPYL|Benzoic acid, 4-hydroxy-, propyl ester|Benzoic acid, p-hydroxy-, propyl ester|Betacide p|Betacine p|Bonomold OP|BRN 1103245|Caswell No. 714|Chemacide PK|Chemocide PK|Chemoside PK|EINECS 202-307-7|EPA Pesticide Chemical Code 061203|FEMA No. 2951|FEMA Number 2951|Lexgard p|Mekkings P|n-Propyl 4-hydroxybenzoate|n-Propyl p-hydroxybenzoate|N-Propyl-p-hydroxybenzoate|n-Propylparaben|Nipagin P|Nipasol|Nipasol M|Nipasol P|Nipazol|NSC 23515|NSC 8511|P-Hydroxybenzoic acid N-propyl ester|p-Hydroxybenzoic acid propyl ester|p-Hydroxybenzoic acid, propyl ester|p-Hydroxybenzoic propyl ester|p-Hydroxypropyl benzoate|p-Oxybenzoesaeurepropylester|p-Oxybenzoesaurepropylester|Paraben|Paraben P|Paseptol|Preserval P|Propagin|propyl 4-hydroxybenzoate|Propyl aseptoform|Pro|58339-85-8|59593-07-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022527 https://doi.org/10.22427/NTP-DATA-DTXSID4022527
ERPathway2016 ERPathway2016_199 Propylparaben 94-13-3 DTXSID4022527 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCCOC(=O)C1=CC=C(O)C=C1 Propylparaben 94-13-3|Propylparaben|4-10-00-00374|4-hidroxibenzoato de propilo|4-Hydroxybenzoate de propyle|4-HYDROXYBENZOESAEURE-PROPYLESTER|4-Hydroxybenzoic acid propyl ester|4-HYDROXYBENZOIC ACID PROPYLESTER|4-Hydroxybenzoic acid, propyl ester|Aseptoform P|Bayer D 206|BENZOATE, 4-HYDROXY-, PROPYL|Benzoic acid, 4-hydroxy-, propyl ester|Benzoic acid, p-hydroxy-, propyl ester|Betacide p|Betacine p|Bonomold OP|BRN 1103245|Caswell No. 714|Chemacide PK|Chemocide PK|Chemoside PK|EINECS 202-307-7|EPA Pesticide Chemical Code 061203|FEMA No. 2951|FEMA Number 2951|Lexgard p|Mekkings P|n-Propyl 4-hydroxybenzoate|n-Propyl p-hydroxybenzoate|N-Propyl-p-hydroxybenzoate|n-Propylparaben|Nipagin P|Nipasol|Nipasol M|Nipasol P|Nipazol|NSC 23515|NSC 8511|P-Hydroxybenzoic acid N-propyl ester|p-Hydroxybenzoic acid propyl ester|p-Hydroxybenzoic acid, propyl ester|p-Hydroxybenzoic propyl ester|p-Hydroxypropyl benzoate|p-Oxybenzoesaeurepropylester|p-Oxybenzoesaurepropylester|Paraben|Paraben P|Paseptol|Preserval P|Propagin|propyl 4-hydroxybenzoate|Propyl aseptoform|Pro|58339-85-8|59593-07-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022527 https://doi.org/10.22427/NTP-DATA-DTXSID4022527
ERPathway2016 ERPathway2016_199 Propylparaben 94-13-3 DTXSID4022527 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCCOC(=O)C1=CC=C(O)C=C1 Propylparaben 94-13-3|Propylparaben|4-10-00-00374|4-hidroxibenzoato de propilo|4-Hydroxybenzoate de propyle|4-HYDROXYBENZOESAEURE-PROPYLESTER|4-Hydroxybenzoic acid propyl ester|4-HYDROXYBENZOIC ACID PROPYLESTER|4-Hydroxybenzoic acid, propyl ester|Aseptoform P|Bayer D 206|BENZOATE, 4-HYDROXY-, PROPYL|Benzoic acid, 4-hydroxy-, propyl ester|Benzoic acid, p-hydroxy-, propyl ester|Betacide p|Betacine p|Bonomold OP|BRN 1103245|Caswell No. 714|Chemacide PK|Chemocide PK|Chemoside PK|EINECS 202-307-7|EPA Pesticide Chemical Code 061203|FEMA No. 2951|FEMA Number 2951|Lexgard p|Mekkings P|n-Propyl 4-hydroxybenzoate|n-Propyl p-hydroxybenzoate|N-Propyl-p-hydroxybenzoate|n-Propylparaben|Nipagin P|Nipasol|Nipasol M|Nipasol P|Nipazol|NSC 23515|NSC 8511|P-Hydroxybenzoic acid N-propyl ester|p-Hydroxybenzoic acid propyl ester|p-Hydroxybenzoic acid, propyl ester|p-Hydroxybenzoic propyl ester|p-Hydroxypropyl benzoate|p-Oxybenzoesaeurepropylester|p-Oxybenzoesaurepropylester|Paraben|Paraben P|Paseptol|Preserval P|Propagin|propyl 4-hydroxybenzoate|Propyl aseptoform|Pro|58339-85-8|59593-07-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022527 https://doi.org/10.22427/NTP-DATA-DTXSID4022527
ERPathway2016 ERPathway2016_199 Propylparaben 94-13-3 DTXSID4022527 Agonist ER Pathway Model, Antagonist Call Active Unitless CCCOC(=O)C1=CC=C(O)C=C1 Propylparaben 94-13-3|Propylparaben|4-10-00-00374|4-hidroxibenzoato de propilo|4-Hydroxybenzoate de propyle|4-HYDROXYBENZOESAEURE-PROPYLESTER|4-Hydroxybenzoic acid propyl ester|4-HYDROXYBENZOIC ACID PROPYLESTER|4-Hydroxybenzoic acid, propyl ester|Aseptoform P|Bayer D 206|BENZOATE, 4-HYDROXY-, PROPYL|Benzoic acid, 4-hydroxy-, propyl ester|Benzoic acid, p-hydroxy-, propyl ester|Betacide p|Betacine p|Bonomold OP|BRN 1103245|Caswell No. 714|Chemacide PK|Chemocide PK|Chemoside PK|EINECS 202-307-7|EPA Pesticide Chemical Code 061203|FEMA No. 2951|FEMA Number 2951|Lexgard p|Mekkings P|n-Propyl 4-hydroxybenzoate|n-Propyl p-hydroxybenzoate|N-Propyl-p-hydroxybenzoate|n-Propylparaben|Nipagin P|Nipasol|Nipasol M|Nipasol P|Nipazol|NSC 23515|NSC 8511|P-Hydroxybenzoic acid N-propyl ester|p-Hydroxybenzoic acid propyl ester|p-Hydroxybenzoic acid, propyl ester|p-Hydroxybenzoic propyl ester|p-Hydroxypropyl benzoate|p-Oxybenzoesaeurepropylester|p-Oxybenzoesaurepropylester|Paraben|Paraben P|Paseptol|Preserval P|Propagin|propyl 4-hydroxybenzoate|Propyl aseptoform|Pro|58339-85-8|59593-07-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022527 https://doi.org/10.22427/NTP-DATA-DTXSID4022527
ARPathway2016 ARPathway2016_1027 Propyzamide 23950-58-5 DTXSID2020420 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C#C Propyzamide 23950-58-5|Propyzamide|3,5-Dichlor-N-(1,1-dimethylprop-2-inyl)benzamid|3,5-Dichloro-N-(1,1-dimethyl-2-propyn-1-yl)benzamide|3,5-Dichloro-N-(1,1-dimethyl-2-propynyl)benzamide|3,5-Dichloro-N-(1,1-dimethylprop-2-ynyl)aminocarbonylbenzene|3,5-dichloro-N-(1,1-dimethylprop-2-ynyl)benzamide|3,5-Dichloro-N-(1,1-dimethylpropynyl)benzamide|3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide|3,5-Dichloro(N-1,1-dimethyl-2-propynyl)benzamide (Pronamide) (Propyzamide)|3,5-dicloro-N-(1,1-dimetilprop-2-inil)benzamida|Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propyn-1-yl)-|Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propynyl)-|BRN 0882391|Caswell No. 306A|EC No.: 245-951-4|EINECS 245-951-4|EPA Pesticide Chemical Code 101701|Kerb|Kerb 50W|Kerb Flo|Kerb Flo 500|N-(1,1-Dimethylpropynyl)-3,5-dichlorobenzamide|Pronamid|Pronamide|PROPYZAMID|RCRA waste number U192|RH 315|RH-23315|RH-3315|UNII-2EZ95375S0|11097-11-3|11097-12-4|66393-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020420
ARPathway2016 ARPathway2016_1027 Propyzamide 23950-58-5 DTXSID2020420 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C#C Propyzamide 23950-58-5|Propyzamide|3,5-Dichlor-N-(1,1-dimethylprop-2-inyl)benzamid|3,5-Dichloro-N-(1,1-dimethyl-2-propyn-1-yl)benzamide|3,5-Dichloro-N-(1,1-dimethyl-2-propynyl)benzamide|3,5-Dichloro-N-(1,1-dimethylprop-2-ynyl)aminocarbonylbenzene|3,5-dichloro-N-(1,1-dimethylprop-2-ynyl)benzamide|3,5-Dichloro-N-(1,1-dimethylpropynyl)benzamide|3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide|3,5-Dichloro(N-1,1-dimethyl-2-propynyl)benzamide (Pronamide) (Propyzamide)|3,5-dicloro-N-(1,1-dimetilprop-2-inil)benzamida|Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propyn-1-yl)-|Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propynyl)-|BRN 0882391|Caswell No. 306A|EC No.: 245-951-4|EINECS 245-951-4|EPA Pesticide Chemical Code 101701|Kerb|Kerb 50W|Kerb Flo|Kerb Flo 500|N-(1,1-Dimethylpropynyl)-3,5-dichlorobenzamide|Pronamid|Pronamide|PROPYZAMID|RCRA waste number U192|RH 315|RH-23315|RH-3315|UNII-2EZ95375S0|11097-11-3|11097-12-4|66393-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020420
ARPathway2016 ARPathway2016_1027 Propyzamide 23950-58-5 DTXSID2020420 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C#C Propyzamide 23950-58-5|Propyzamide|3,5-Dichlor-N-(1,1-dimethylprop-2-inyl)benzamid|3,5-Dichloro-N-(1,1-dimethyl-2-propyn-1-yl)benzamide|3,5-Dichloro-N-(1,1-dimethyl-2-propynyl)benzamide|3,5-Dichloro-N-(1,1-dimethylprop-2-ynyl)aminocarbonylbenzene|3,5-dichloro-N-(1,1-dimethylprop-2-ynyl)benzamide|3,5-Dichloro-N-(1,1-dimethylpropynyl)benzamide|3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide|3,5-Dichloro(N-1,1-dimethyl-2-propynyl)benzamide (Pronamide) (Propyzamide)|3,5-dicloro-N-(1,1-dimetilprop-2-inil)benzamida|Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propyn-1-yl)-|Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propynyl)-|BRN 0882391|Caswell No. 306A|EC No.: 245-951-4|EINECS 245-951-4|EPA Pesticide Chemical Code 101701|Kerb|Kerb 50W|Kerb Flo|Kerb Flo 500|N-(1,1-Dimethylpropynyl)-3,5-dichlorobenzamide|Pronamid|Pronamide|PROPYZAMID|RCRA waste number U192|RH 315|RH-23315|RH-3315|UNII-2EZ95375S0|11097-11-3|11097-12-4|66393-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020420
ARPathway2016 ARPathway2016_1027 Propyzamide 23950-58-5 DTXSID2020420 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C#C Propyzamide 23950-58-5|Propyzamide|3,5-Dichlor-N-(1,1-dimethylprop-2-inyl)benzamid|3,5-Dichloro-N-(1,1-dimethyl-2-propyn-1-yl)benzamide|3,5-Dichloro-N-(1,1-dimethyl-2-propynyl)benzamide|3,5-Dichloro-N-(1,1-dimethylprop-2-ynyl)aminocarbonylbenzene|3,5-dichloro-N-(1,1-dimethylprop-2-ynyl)benzamide|3,5-Dichloro-N-(1,1-dimethylpropynyl)benzamide|3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide|3,5-Dichloro(N-1,1-dimethyl-2-propynyl)benzamide (Pronamide) (Propyzamide)|3,5-dicloro-N-(1,1-dimetilprop-2-inil)benzamida|Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propyn-1-yl)-|Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propynyl)-|BRN 0882391|Caswell No. 306A|EC No.: 245-951-4|EINECS 245-951-4|EPA Pesticide Chemical Code 101701|Kerb|Kerb 50W|Kerb Flo|Kerb Flo 500|N-(1,1-Dimethylpropynyl)-3,5-dichlorobenzamide|Pronamid|Pronamide|PROPYZAMID|RCRA waste number U192|RH 315|RH-23315|RH-3315|UNII-2EZ95375S0|11097-11-3|11097-12-4|66393-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020420
ERPathway2016 ERPathway2016_1391 Propyzamide 23950-58-5 DTXSID2020420 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C#C Propyzamide 23950-58-5|Propyzamide|3,5-Dichlor-N-(1,1-dimethylprop-2-inyl)benzamid|3,5-Dichloro-N-(1,1-dimethyl-2-propyn-1-yl)benzamide|3,5-Dichloro-N-(1,1-dimethyl-2-propynyl)benzamide|3,5-Dichloro-N-(1,1-dimethylprop-2-ynyl)aminocarbonylbenzene|3,5-dichloro-N-(1,1-dimethylprop-2-ynyl)benzamide|3,5-Dichloro-N-(1,1-dimethylpropynyl)benzamide|3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide|3,5-Dichloro(N-1,1-dimethyl-2-propynyl)benzamide (Pronamide) (Propyzamide)|3,5-dicloro-N-(1,1-dimetilprop-2-inil)benzamida|Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propyn-1-yl)-|Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propynyl)-|BRN 0882391|Caswell No. 306A|EC No.: 245-951-4|EINECS 245-951-4|EPA Pesticide Chemical Code 101701|Kerb|Kerb 50W|Kerb Flo|Kerb Flo 500|N-(1,1-Dimethylpropynyl)-3,5-dichlorobenzamide|Pronamid|Pronamide|PROPYZAMID|RCRA waste number U192|RH 315|RH-23315|RH-3315|UNII-2EZ95375S0|11097-11-3|11097-12-4|66393-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020420
ERPathway2016 ERPathway2016_1391 Propyzamide 23950-58-5 DTXSID2020420 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C#C Propyzamide 23950-58-5|Propyzamide|3,5-Dichlor-N-(1,1-dimethylprop-2-inyl)benzamid|3,5-Dichloro-N-(1,1-dimethyl-2-propyn-1-yl)benzamide|3,5-Dichloro-N-(1,1-dimethyl-2-propynyl)benzamide|3,5-Dichloro-N-(1,1-dimethylprop-2-ynyl)aminocarbonylbenzene|3,5-dichloro-N-(1,1-dimethylprop-2-ynyl)benzamide|3,5-Dichloro-N-(1,1-dimethylpropynyl)benzamide|3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide|3,5-Dichloro(N-1,1-dimethyl-2-propynyl)benzamide (Pronamide) (Propyzamide)|3,5-dicloro-N-(1,1-dimetilprop-2-inil)benzamida|Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propyn-1-yl)-|Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propynyl)-|BRN 0882391|Caswell No. 306A|EC No.: 245-951-4|EINECS 245-951-4|EPA Pesticide Chemical Code 101701|Kerb|Kerb 50W|Kerb Flo|Kerb Flo 500|N-(1,1-Dimethylpropynyl)-3,5-dichlorobenzamide|Pronamid|Pronamide|PROPYZAMID|RCRA waste number U192|RH 315|RH-23315|RH-3315|UNII-2EZ95375S0|11097-11-3|11097-12-4|66393-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020420
ERPathway2016 ERPathway2016_1391 Propyzamide 23950-58-5 DTXSID2020420 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C#C Propyzamide 23950-58-5|Propyzamide|3,5-Dichlor-N-(1,1-dimethylprop-2-inyl)benzamid|3,5-Dichloro-N-(1,1-dimethyl-2-propyn-1-yl)benzamide|3,5-Dichloro-N-(1,1-dimethyl-2-propynyl)benzamide|3,5-Dichloro-N-(1,1-dimethylprop-2-ynyl)aminocarbonylbenzene|3,5-dichloro-N-(1,1-dimethylprop-2-ynyl)benzamide|3,5-Dichloro-N-(1,1-dimethylpropynyl)benzamide|3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide|3,5-Dichloro(N-1,1-dimethyl-2-propynyl)benzamide (Pronamide) (Propyzamide)|3,5-dicloro-N-(1,1-dimetilprop-2-inil)benzamida|Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propyn-1-yl)-|Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propynyl)-|BRN 0882391|Caswell No. 306A|EC No.: 245-951-4|EINECS 245-951-4|EPA Pesticide Chemical Code 101701|Kerb|Kerb 50W|Kerb Flo|Kerb Flo 500|N-(1,1-Dimethylpropynyl)-3,5-dichlorobenzamide|Pronamid|Pronamide|PROPYZAMID|RCRA waste number U192|RH 315|RH-23315|RH-3315|UNII-2EZ95375S0|11097-11-3|11097-12-4|66393-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020420
ERPathway2016 ERPathway2016_1391 Propyzamide 23950-58-5 DTXSID2020420 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C#C Propyzamide 23950-58-5|Propyzamide|3,5-Dichlor-N-(1,1-dimethylprop-2-inyl)benzamid|3,5-Dichloro-N-(1,1-dimethyl-2-propyn-1-yl)benzamide|3,5-Dichloro-N-(1,1-dimethyl-2-propynyl)benzamide|3,5-Dichloro-N-(1,1-dimethylprop-2-ynyl)aminocarbonylbenzene|3,5-dichloro-N-(1,1-dimethylprop-2-ynyl)benzamide|3,5-Dichloro-N-(1,1-dimethylpropynyl)benzamide|3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide|3,5-Dichloro(N-1,1-dimethyl-2-propynyl)benzamide (Pronamide) (Propyzamide)|3,5-dicloro-N-(1,1-dimetilprop-2-inil)benzamida|Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propyn-1-yl)-|Benzamide, 3,5-dichloro-N-(1,1-dimethyl-2-propynyl)-|BRN 0882391|Caswell No. 306A|EC No.: 245-951-4|EINECS 245-951-4|EPA Pesticide Chemical Code 101701|Kerb|Kerb 50W|Kerb Flo|Kerb Flo 500|N-(1,1-Dimethylpropynyl)-3,5-dichlorobenzamide|Pronamid|Pronamide|PROPYZAMID|RCRA waste number U192|RH 315|RH-23315|RH-3315|UNII-2EZ95375S0|11097-11-3|11097-12-4|66393-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2020420
ARPathway2016 ARPathway2016_716 Pymetrozine 123312-89-0 DTXSID2032637 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=NNC(=O)N(C1)N=CC1=CC=CN=C1 Pymetrozine 123312-89-0|Pymetrozine|(E)-4,5-Dihydro-6-methyl-4-(3-pyridylmethyleneamino)-1,2,4-triazin3(2H)-one|1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(3-pyridinylmethylene)amino]-, (E)-|1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-|4,5-Dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-1,2,4-triazin-3(2H)-one|A 9364A|CGA 215944|CGA-215944|Chess|CSAA202913|Endeavor|Fulfill|Plenum|UNII-F0G3V7874J https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032637
ARPathway2016 ARPathway2016_716 Pymetrozine 123312-89-0 DTXSID2032637 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=NNC(=O)N(C1)N=CC1=CC=CN=C1 Pymetrozine 123312-89-0|Pymetrozine|(E)-4,5-Dihydro-6-methyl-4-(3-pyridylmethyleneamino)-1,2,4-triazin3(2H)-one|1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(3-pyridinylmethylene)amino]-, (E)-|1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-|4,5-Dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-1,2,4-triazin-3(2H)-one|A 9364A|CGA 215944|CGA-215944|Chess|CSAA202913|Endeavor|Fulfill|Plenum|UNII-F0G3V7874J https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032637
ARPathway2016 ARPathway2016_716 Pymetrozine 123312-89-0 DTXSID2032637 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=NNC(=O)N(C1)N=CC1=CC=CN=C1 Pymetrozine 123312-89-0|Pymetrozine|(E)-4,5-Dihydro-6-methyl-4-(3-pyridylmethyleneamino)-1,2,4-triazin3(2H)-one|1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(3-pyridinylmethylene)amino]-, (E)-|1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-|4,5-Dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-1,2,4-triazin-3(2H)-one|A 9364A|CGA 215944|CGA-215944|Chess|CSAA202913|Endeavor|Fulfill|Plenum|UNII-F0G3V7874J https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032637
ARPathway2016 ARPathway2016_716 Pymetrozine 123312-89-0 DTXSID2032637 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=NNC(=O)N(C1)N=CC1=CC=CN=C1 Pymetrozine 123312-89-0|Pymetrozine|(E)-4,5-Dihydro-6-methyl-4-(3-pyridylmethyleneamino)-1,2,4-triazin3(2H)-one|1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(3-pyridinylmethylene)amino]-, (E)-|1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-|4,5-Dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-1,2,4-triazin-3(2H)-one|A 9364A|CGA 215944|CGA-215944|Chess|CSAA202913|Endeavor|Fulfill|Plenum|UNII-F0G3V7874J https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032637
ERPathway2016 ERPathway2016_829 Pymetrozine 123312-89-0 DTXSID2032637 ER Pathway Model, Agonist Model Score 0 Unitless CC1=NNC(=O)N(C1)N=CC1=CC=CN=C1 Pymetrozine 123312-89-0|Pymetrozine|(E)-4,5-Dihydro-6-methyl-4-(3-pyridylmethyleneamino)-1,2,4-triazin3(2H)-one|1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(3-pyridinylmethylene)amino]-, (E)-|1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-|4,5-Dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-1,2,4-triazin-3(2H)-one|A 9364A|CGA 215944|CGA-215944|Chess|CSAA202913|Endeavor|Fulfill|Plenum|UNII-F0G3V7874J https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032637
ERPathway2016 ERPathway2016_829 Pymetrozine 123312-89-0 DTXSID2032637 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=NNC(=O)N(C1)N=CC1=CC=CN=C1 Pymetrozine 123312-89-0|Pymetrozine|(E)-4,5-Dihydro-6-methyl-4-(3-pyridylmethyleneamino)-1,2,4-triazin3(2H)-one|1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(3-pyridinylmethylene)amino]-, (E)-|1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-|4,5-Dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-1,2,4-triazin-3(2H)-one|A 9364A|CGA 215944|CGA-215944|Chess|CSAA202913|Endeavor|Fulfill|Plenum|UNII-F0G3V7874J https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032637
ERPathway2016 ERPathway2016_829 Pymetrozine 123312-89-0 DTXSID2032637 ER Pathway Model, Agonist Call Inactive Unitless CC1=NNC(=O)N(C1)N=CC1=CC=CN=C1 Pymetrozine 123312-89-0|Pymetrozine|(E)-4,5-Dihydro-6-methyl-4-(3-pyridylmethyleneamino)-1,2,4-triazin3(2H)-one|1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(3-pyridinylmethylene)amino]-, (E)-|1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-|4,5-Dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-1,2,4-triazin-3(2H)-one|A 9364A|CGA 215944|CGA-215944|Chess|CSAA202913|Endeavor|Fulfill|Plenum|UNII-F0G3V7874J https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032637
ERPathway2016 ERPathway2016_829 Pymetrozine 123312-89-0 DTXSID2032637 ER Pathway Model, Antagonist Call Inactive Unitless CC1=NNC(=O)N(C1)N=CC1=CC=CN=C1 Pymetrozine 123312-89-0|Pymetrozine|(E)-4,5-Dihydro-6-methyl-4-(3-pyridylmethyleneamino)-1,2,4-triazin3(2H)-one|1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(3-pyridinylmethylene)amino]-, (E)-|1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-|4,5-Dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-1,2,4-triazin-3(2H)-one|A 9364A|CGA 215944|CGA-215944|Chess|CSAA202913|Endeavor|Fulfill|Plenum|UNII-F0G3V7874J https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032637
ARPathway2016 ARPathway2016_938 Pyraclostrobin 175013-18-0 DTXSID7032638 FLAG: Wrong direction shift (Hit/Hit) -1.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless CON(C(=O)OC)C1=C(COC2=NN(C=C2)C2=CC=C(Cl)C=C2)C=CC=C1 Pyraclostrobin 175013-18-0|Pyraclostrobin|BAS 500 F|Carbamic acid, [2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]methoxy-, methyl ester|Headline|Methyl N-(2-(1-(4-chlorophenyl)-1H-pyrazol-3-yloxymethyl)phenyl)-(N-methoxy)carbamate|Pyraclostrobine|UNII-DJW8M9OX1H https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032638
ARPathway2016 ARPathway2016_938 Pyraclostrobin 175013-18-0 DTXSID7032638 FLAG: Wrong direction shift (Hit/Hit) -1.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CON(C(=O)OC)C1=C(COC2=NN(C=C2)C2=CC=C(Cl)C=C2)C=CC=C1 Pyraclostrobin 175013-18-0|Pyraclostrobin|BAS 500 F|Carbamic acid, [2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]methoxy-, methyl ester|Headline|Methyl N-(2-(1-(4-chlorophenyl)-1H-pyrazol-3-yloxymethyl)phenyl)-(N-methoxy)carbamate|Pyraclostrobine|UNII-DJW8M9OX1H https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032638
ARPathway2016 ARPathway2016_938 Pyraclostrobin 175013-18-0 DTXSID7032638 FLAG: Wrong direction shift (Hit/Hit) -1.0 A11 AR Pathway Model, Agonist Call Inactive Unitless CON(C(=O)OC)C1=C(COC2=NN(C=C2)C2=CC=C(Cl)C=C2)C=CC=C1 Pyraclostrobin 175013-18-0|Pyraclostrobin|BAS 500 F|Carbamic acid, [2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]methoxy-, methyl ester|Headline|Methyl N-(2-(1-(4-chlorophenyl)-1H-pyrazol-3-yloxymethyl)phenyl)-(N-methoxy)carbamate|Pyraclostrobine|UNII-DJW8M9OX1H https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032638
ARPathway2016 ARPathway2016_938 Pyraclostrobin 175013-18-0 DTXSID7032638 FLAG: Wrong direction shift (Hit/Hit) -1.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CON(C(=O)OC)C1=C(COC2=NN(C=C2)C2=CC=C(Cl)C=C2)C=CC=C1 Pyraclostrobin 175013-18-0|Pyraclostrobin|BAS 500 F|Carbamic acid, [2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]methoxy-, methyl ester|Headline|Methyl N-(2-(1-(4-chlorophenyl)-1H-pyrazol-3-yloxymethyl)phenyl)-(N-methoxy)carbamate|Pyraclostrobine|UNII-DJW8M9OX1H https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032638
ERPathway2016 ERPathway2016_560 Pyraclostrobin 175013-18-0 DTXSID7032638 R9 ER Pathway Model, Agonist Model Score 0 Unitless CON(C(=O)OC)C1=C(COC2=NN(C=C2)C2=CC=C(Cl)C=C2)C=CC=C1 Pyraclostrobin 175013-18-0|Pyraclostrobin|BAS 500 F|Carbamic acid, [2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]methoxy-, methyl ester|Headline|Methyl N-(2-(1-(4-chlorophenyl)-1H-pyrazol-3-yloxymethyl)phenyl)-(N-methoxy)carbamate|Pyraclostrobine|UNII-DJW8M9OX1H https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032638
ERPathway2016 ERPathway2016_560 Pyraclostrobin 175013-18-0 DTXSID7032638 R9 ER Pathway Model, Antagonist Model Score 0 Unitless CON(C(=O)OC)C1=C(COC2=NN(C=C2)C2=CC=C(Cl)C=C2)C=CC=C1 Pyraclostrobin 175013-18-0|Pyraclostrobin|BAS 500 F|Carbamic acid, [2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]methoxy-, methyl ester|Headline|Methyl N-(2-(1-(4-chlorophenyl)-1H-pyrazol-3-yloxymethyl)phenyl)-(N-methoxy)carbamate|Pyraclostrobine|UNII-DJW8M9OX1H https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032638
ERPathway2016 ERPathway2016_560 Pyraclostrobin 175013-18-0 DTXSID7032638 R9 ER Pathway Model, Agonist Call Inactive Unitless CON(C(=O)OC)C1=C(COC2=NN(C=C2)C2=CC=C(Cl)C=C2)C=CC=C1 Pyraclostrobin 175013-18-0|Pyraclostrobin|BAS 500 F|Carbamic acid, [2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]methoxy-, methyl ester|Headline|Methyl N-(2-(1-(4-chlorophenyl)-1H-pyrazol-3-yloxymethyl)phenyl)-(N-methoxy)carbamate|Pyraclostrobine|UNII-DJW8M9OX1H https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032638
ERPathway2016 ERPathway2016_560 Pyraclostrobin 175013-18-0 DTXSID7032638 R9 ER Pathway Model, Antagonist Call Inactive Unitless CON(C(=O)OC)C1=C(COC2=NN(C=C2)C2=CC=C(Cl)C=C2)C=CC=C1 Pyraclostrobin 175013-18-0|Pyraclostrobin|BAS 500 F|Carbamic acid, [2-[[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]phenyl]methoxy-, methyl ester|Headline|Methyl N-(2-(1-(4-chlorophenyl)-1H-pyrazol-3-yloxymethyl)phenyl)-(N-methoxy)carbamate|Pyraclostrobine|UNII-DJW8M9OX1H https://comptox.epa.gov/dashboard/chemical/details/DTXSID7032638
ARPathway2016 ARPathway2016_768 Pyraflufen-ethyl 129630-19-9 DTXSID8034871 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)COC1=C(Cl)C=C(F)C(=C1)C1=NN(C)C(OC(F)F)=C1Cl Pyraflufen-ethyl 129630-19-9|Pyraflufen-ethyl|Acetic acid, [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester|Acetic acid, 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester|Ecopart|ET 751|ET Herbicide/Defoliant|Ethyl [2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy]acetate|HERB 1|PC 030090|PC Code 030090|Thunderbolt|UNII-XOC9Q2DLMI https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034871
ARPathway2016 ARPathway2016_768 Pyraflufen-ethyl 129630-19-9 DTXSID8034871 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)COC1=C(Cl)C=C(F)C(=C1)C1=NN(C)C(OC(F)F)=C1Cl Pyraflufen-ethyl 129630-19-9|Pyraflufen-ethyl|Acetic acid, [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester|Acetic acid, 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester|Ecopart|ET 751|ET Herbicide/Defoliant|Ethyl [2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy]acetate|HERB 1|PC 030090|PC Code 030090|Thunderbolt|UNII-XOC9Q2DLMI https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034871
ARPathway2016 ARPathway2016_768 Pyraflufen-ethyl 129630-19-9 DTXSID8034871 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)COC1=C(Cl)C=C(F)C(=C1)C1=NN(C)C(OC(F)F)=C1Cl Pyraflufen-ethyl 129630-19-9|Pyraflufen-ethyl|Acetic acid, [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester|Acetic acid, 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester|Ecopart|ET 751|ET Herbicide/Defoliant|Ethyl [2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy]acetate|HERB 1|PC 030090|PC Code 030090|Thunderbolt|UNII-XOC9Q2DLMI https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034871
ARPathway2016 ARPathway2016_768 Pyraflufen-ethyl 129630-19-9 DTXSID8034871 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)COC1=C(Cl)C=C(F)C(=C1)C1=NN(C)C(OC(F)F)=C1Cl Pyraflufen-ethyl 129630-19-9|Pyraflufen-ethyl|Acetic acid, [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester|Acetic acid, 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester|Ecopart|ET 751|ET Herbicide/Defoliant|Ethyl [2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy]acetate|HERB 1|PC 030090|PC Code 030090|Thunderbolt|UNII-XOC9Q2DLMI https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034871
ERPathway2016 ERPathway2016_1267 Pyraflufen-ethyl 129630-19-9 DTXSID8034871 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)COC1=C(Cl)C=C(F)C(=C1)C1=NN(C)C(OC(F)F)=C1Cl Pyraflufen-ethyl 129630-19-9|Pyraflufen-ethyl|Acetic acid, [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester|Acetic acid, 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester|Ecopart|ET 751|ET Herbicide/Defoliant|Ethyl [2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy]acetate|HERB 1|PC 030090|PC Code 030090|Thunderbolt|UNII-XOC9Q2DLMI https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034871
ERPathway2016 ERPathway2016_1267 Pyraflufen-ethyl 129630-19-9 DTXSID8034871 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)COC1=C(Cl)C=C(F)C(=C1)C1=NN(C)C(OC(F)F)=C1Cl Pyraflufen-ethyl 129630-19-9|Pyraflufen-ethyl|Acetic acid, [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester|Acetic acid, 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester|Ecopart|ET 751|ET Herbicide/Defoliant|Ethyl [2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy]acetate|HERB 1|PC 030090|PC Code 030090|Thunderbolt|UNII-XOC9Q2DLMI https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034871
ERPathway2016 ERPathway2016_1267 Pyraflufen-ethyl 129630-19-9 DTXSID8034871 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)COC1=C(Cl)C=C(F)C(=C1)C1=NN(C)C(OC(F)F)=C1Cl Pyraflufen-ethyl 129630-19-9|Pyraflufen-ethyl|Acetic acid, [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester|Acetic acid, 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester|Ecopart|ET 751|ET Herbicide/Defoliant|Ethyl [2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy]acetate|HERB 1|PC 030090|PC Code 030090|Thunderbolt|UNII-XOC9Q2DLMI https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034871
ERPathway2016 ERPathway2016_1267 Pyraflufen-ethyl 129630-19-9 DTXSID8034871 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)COC1=C(Cl)C=C(F)C(=C1)C1=NN(C)C(OC(F)F)=C1Cl Pyraflufen-ethyl 129630-19-9|Pyraflufen-ethyl|Acetic acid, [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester|Acetic acid, 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]-, ethyl ester|Ecopart|ET 751|ET Herbicide/Defoliant|Ethyl [2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy]acetate|HERB 1|PC 030090|PC Code 030090|Thunderbolt|UNII-XOC9Q2DLMI https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034871
ARPathway2016 ARPathway2016_644 Pyrazolone T 118-47-8 DTXSID5041273 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=NN(C(=O)C1)C1=CC=C(C=C1)S(O)(=O)=O Pyrazolone T 118-47-8|Pyrazolone T|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-|2-Pyrazoline-3-carboxylic acid, 5-oxo-1-(p-sulfophenyl)-|4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid|5-Oxo-1-(4-sulphophenyl)-2-pyrazoline-3-carboxylic acid|BRN 0689305|EINECS 204-254-5|NSC 50665|857343-97-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041273
ARPathway2016 ARPathway2016_644 Pyrazolone T 118-47-8 DTXSID5041273 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=NN(C(=O)C1)C1=CC=C(C=C1)S(O)(=O)=O Pyrazolone T 118-47-8|Pyrazolone T|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-|2-Pyrazoline-3-carboxylic acid, 5-oxo-1-(p-sulfophenyl)-|4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid|5-Oxo-1-(4-sulphophenyl)-2-pyrazoline-3-carboxylic acid|BRN 0689305|EINECS 204-254-5|NSC 50665|857343-97-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041273
ARPathway2016 ARPathway2016_644 Pyrazolone T 118-47-8 DTXSID5041273 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=NN(C(=O)C1)C1=CC=C(C=C1)S(O)(=O)=O Pyrazolone T 118-47-8|Pyrazolone T|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-|2-Pyrazoline-3-carboxylic acid, 5-oxo-1-(p-sulfophenyl)-|4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid|5-Oxo-1-(4-sulphophenyl)-2-pyrazoline-3-carboxylic acid|BRN 0689305|EINECS 204-254-5|NSC 50665|857343-97-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041273
ARPathway2016 ARPathway2016_644 Pyrazolone T 118-47-8 DTXSID5041273 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=NN(C(=O)C1)C1=CC=C(C=C1)S(O)(=O)=O Pyrazolone T 118-47-8|Pyrazolone T|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-|2-Pyrazoline-3-carboxylic acid, 5-oxo-1-(p-sulfophenyl)-|4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid|5-Oxo-1-(4-sulphophenyl)-2-pyrazoline-3-carboxylic acid|BRN 0689305|EINECS 204-254-5|NSC 50665|857343-97-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041273
ERPathway2016 ERPathway2016_1196 Pyrazolone T 118-47-8 DTXSID5041273 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=NN(C(=O)C1)C1=CC=C(C=C1)S(O)(=O)=O Pyrazolone T 118-47-8|Pyrazolone T|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-|2-Pyrazoline-3-carboxylic acid, 5-oxo-1-(p-sulfophenyl)-|4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid|5-Oxo-1-(4-sulphophenyl)-2-pyrazoline-3-carboxylic acid|BRN 0689305|EINECS 204-254-5|NSC 50665|857343-97-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041273
ERPathway2016 ERPathway2016_1196 Pyrazolone T 118-47-8 DTXSID5041273 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=NN(C(=O)C1)C1=CC=C(C=C1)S(O)(=O)=O Pyrazolone T 118-47-8|Pyrazolone T|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-|2-Pyrazoline-3-carboxylic acid, 5-oxo-1-(p-sulfophenyl)-|4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid|5-Oxo-1-(4-sulphophenyl)-2-pyrazoline-3-carboxylic acid|BRN 0689305|EINECS 204-254-5|NSC 50665|857343-97-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041273
ERPathway2016 ERPathway2016_1196 Pyrazolone T 118-47-8 DTXSID5041273 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=NN(C(=O)C1)C1=CC=C(C=C1)S(O)(=O)=O Pyrazolone T 118-47-8|Pyrazolone T|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-|2-Pyrazoline-3-carboxylic acid, 5-oxo-1-(p-sulfophenyl)-|4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid|5-Oxo-1-(4-sulphophenyl)-2-pyrazoline-3-carboxylic acid|BRN 0689305|EINECS 204-254-5|NSC 50665|857343-97-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041273
ERPathway2016 ERPathway2016_1196 Pyrazolone T 118-47-8 DTXSID5041273 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=NN(C(=O)C1)C1=CC=C(C=C1)S(O)(=O)=O Pyrazolone T 118-47-8|Pyrazolone T|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-|2-Pyrazoline-3-carboxylic acid, 5-oxo-1-(p-sulfophenyl)-|4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid|5-Oxo-1-(4-sulphophenyl)-2-pyrazoline-3-carboxylic acid|BRN 0689305|EINECS 204-254-5|NSC 50665|857343-97-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041273
ARPathway2016 ARPathway2016_764 Pyrene 129-00-0 DTXSID3024289 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1 Pyrene 129-00-0|Pyrene|Benzo (d,e,f) phenanthrene|Benzo(def)phenanthrene|Benzo[def]phenanthrene|beta-Pyrene|EINECS 204-927-3|NSC 17534|NSC 66449|UNII-9E0T7WFW93|b-Pyrene|76165-23-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024289 https://doi.org/10.22427/NTP-DATA-DTXSID3024289
ARPathway2016 ARPathway2016_764 Pyrene 129-00-0 DTXSID3024289 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Call Inactive Unitless C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1 Pyrene 129-00-0|Pyrene|Benzo (d,e,f) phenanthrene|Benzo(def)phenanthrene|Benzo[def]phenanthrene|beta-Pyrene|EINECS 204-927-3|NSC 17534|NSC 66449|UNII-9E0T7WFW93|b-Pyrene|76165-23-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024289 https://doi.org/10.22427/NTP-DATA-DTXSID3024289
ARPathway2016 ARPathway2016_764 Pyrene 129-00-0 DTXSID3024289 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1 Pyrene 129-00-0|Pyrene|Benzo (d,e,f) phenanthrene|Benzo(def)phenanthrene|Benzo[def]phenanthrene|beta-Pyrene|EINECS 204-927-3|NSC 17534|NSC 66449|UNII-9E0T7WFW93|b-Pyrene|76165-23-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024289 https://doi.org/10.22427/NTP-DATA-DTXSID3024289
ARPathway2016 ARPathway2016_764 Pyrene 129-00-0 DTXSID3024289 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1 Pyrene 129-00-0|Pyrene|Benzo (d,e,f) phenanthrene|Benzo(def)phenanthrene|Benzo[def]phenanthrene|beta-Pyrene|EINECS 204-927-3|NSC 17534|NSC 66449|UNII-9E0T7WFW93|b-Pyrene|76165-23-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024289 https://doi.org/10.22427/NTP-DATA-DTXSID3024289
ERPathway2016 ERPathway2016_833 Pyrene 129-00-0 DTXSID3024289 ER Pathway Model, Agonist Model Score 0 Unitless C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1 Pyrene 129-00-0|Pyrene|Benzo (d,e,f) phenanthrene|Benzo(def)phenanthrene|Benzo[def]phenanthrene|beta-Pyrene|EINECS 204-927-3|NSC 17534|NSC 66449|UNII-9E0T7WFW93|b-Pyrene|76165-23-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024289 https://doi.org/10.22427/NTP-DATA-DTXSID3024289
ERPathway2016 ERPathway2016_833 Pyrene 129-00-0 DTXSID3024289 ER Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1 Pyrene 129-00-0|Pyrene|Benzo (d,e,f) phenanthrene|Benzo(def)phenanthrene|Benzo[def]phenanthrene|beta-Pyrene|EINECS 204-927-3|NSC 17534|NSC 66449|UNII-9E0T7WFW93|b-Pyrene|76165-23-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024289 https://doi.org/10.22427/NTP-DATA-DTXSID3024289
ERPathway2016 ERPathway2016_833 Pyrene 129-00-0 DTXSID3024289 ER Pathway Model, Agonist Call Inactive Unitless C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1 Pyrene 129-00-0|Pyrene|Benzo (d,e,f) phenanthrene|Benzo(def)phenanthrene|Benzo[def]phenanthrene|beta-Pyrene|EINECS 204-927-3|NSC 17534|NSC 66449|UNII-9E0T7WFW93|b-Pyrene|76165-23-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024289 https://doi.org/10.22427/NTP-DATA-DTXSID3024289
ERPathway2016 ERPathway2016_833 Pyrene 129-00-0 DTXSID3024289 ER Pathway Model, Antagonist Call Inactive Unitless C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1 Pyrene 129-00-0|Pyrene|Benzo (d,e,f) phenanthrene|Benzo(def)phenanthrene|Benzo[def]phenanthrene|beta-Pyrene|EINECS 204-927-3|NSC 17534|NSC 66449|UNII-9E0T7WFW93|b-Pyrene|76165-23-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024289 https://doi.org/10.22427/NTP-DATA-DTXSID3024289
ARPathway2016 ARPathway2016_318 Pyridaben 96489-71-3 DTXSID5032573 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 0.052502011 uM CC(C)(C)N1N=CC(SCC2=CC=C(C=C2)C(C)(C)C)=C(Cl)C1=O Pyridaben 96489-71-3|Pyridaben|2-tert-Butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one|2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one|3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-|4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone|4-Chloro-2-(1,1-dimethylethyl)-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-3(2H)-pyridazinone|BAS 300|Damanlin|ELINCS No.: 405-700-3|GWN 1715|NC 129|NCI 129|Nexter|Pyramite|Sanmite|UNII-2E4JBA5272 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032573
ARPathway2016 ARPathway2016_318 Pyridaben 96489-71-3 DTXSID5032573 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 0.778589983 uM CC(C)(C)N1N=CC(SCC2=CC=C(C=C2)C(C)(C)C)=C(Cl)C1=O Pyridaben 96489-71-3|Pyridaben|2-tert-Butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one|2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one|3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-|4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone|4-Chloro-2-(1,1-dimethylethyl)-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-3(2H)-pyridazinone|BAS 300|Damanlin|ELINCS No.: 405-700-3|GWN 1715|NC 129|NCI 129|Nexter|Pyramite|Sanmite|UNII-2E4JBA5272 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032573
ARPathway2016 ARPathway2016_318 Pyridaben 96489-71-3 DTXSID5032573 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0539 Unitless CC(C)(C)N1N=CC(SCC2=CC=C(C=C2)C(C)(C)C)=C(Cl)C1=O Pyridaben 96489-71-3|Pyridaben|2-tert-Butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one|2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one|3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-|4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone|4-Chloro-2-(1,1-dimethylethyl)-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-3(2H)-pyridazinone|BAS 300|Damanlin|ELINCS No.: 405-700-3|GWN 1715|NC 129|NCI 129|Nexter|Pyramite|Sanmite|UNII-2E4JBA5272 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032573
ARPathway2016 ARPathway2016_318 Pyridaben 96489-71-3 DTXSID5032573 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)N1N=CC(SCC2=CC=C(C=C2)C(C)(C)C)=C(Cl)C1=O Pyridaben 96489-71-3|Pyridaben|2-tert-Butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one|2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one|3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-|4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone|4-Chloro-2-(1,1-dimethylethyl)-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-3(2H)-pyridazinone|BAS 300|Damanlin|ELINCS No.: 405-700-3|GWN 1715|NC 129|NCI 129|Nexter|Pyramite|Sanmite|UNII-2E4JBA5272 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032573
ARPathway2016 ARPathway2016_318 Pyridaben 96489-71-3 DTXSID5032573 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)(C)N1N=CC(SCC2=CC=C(C=C2)C(C)(C)C)=C(Cl)C1=O Pyridaben 96489-71-3|Pyridaben|2-tert-Butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one|2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one|3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-|4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone|4-Chloro-2-(1,1-dimethylethyl)-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-3(2H)-pyridazinone|BAS 300|Damanlin|ELINCS No.: 405-700-3|GWN 1715|NC 129|NCI 129|Nexter|Pyramite|Sanmite|UNII-2E4JBA5272 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032573
ARPathway2016 ARPathway2016_318 Pyridaben 96489-71-3 DTXSID5032573 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)N1N=CC(SCC2=CC=C(C=C2)C(C)(C)C)=C(Cl)C1=O Pyridaben 96489-71-3|Pyridaben|2-tert-Butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one|2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one|3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-|4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone|4-Chloro-2-(1,1-dimethylethyl)-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-3(2H)-pyridazinone|BAS 300|Damanlin|ELINCS No.: 405-700-3|GWN 1715|NC 129|NCI 129|Nexter|Pyramite|Sanmite|UNII-2E4JBA5272 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032573
ERPathway2016 ERPathway2016_235 Pyridaben 96489-71-3 DTXSID5032573 Agonist ER Pathway Model, Antagonist AC50 0.385192297209732 uM CC(C)(C)N1N=CC(SCC2=CC=C(C=C2)C(C)(C)C)=C(Cl)C1=O Pyridaben 96489-71-3|Pyridaben|2-tert-Butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one|2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one|3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-|4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone|4-Chloro-2-(1,1-dimethylethyl)-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-3(2H)-pyridazinone|BAS 300|Damanlin|ELINCS No.: 405-700-3|GWN 1715|NC 129|NCI 129|Nexter|Pyramite|Sanmite|UNII-2E4JBA5272 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032573
ERPathway2016 ERPathway2016_235 Pyridaben 96489-71-3 DTXSID5032573 Agonist ER Pathway Model, Antagonist ACC 0.364359957648613 uM CC(C)(C)N1N=CC(SCC2=CC=C(C=C2)C(C)(C)C)=C(Cl)C1=O Pyridaben 96489-71-3|Pyridaben|2-tert-Butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one|2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one|3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-|4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone|4-Chloro-2-(1,1-dimethylethyl)-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-3(2H)-pyridazinone|BAS 300|Damanlin|ELINCS No.: 405-700-3|GWN 1715|NC 129|NCI 129|Nexter|Pyramite|Sanmite|UNII-2E4JBA5272 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032573
ERPathway2016 ERPathway2016_235 Pyridaben 96489-71-3 DTXSID5032573 Agonist ER Pathway Model, Agonist Model Score 0.1 Unitless CC(C)(C)N1N=CC(SCC2=CC=C(C=C2)C(C)(C)C)=C(Cl)C1=O Pyridaben 96489-71-3|Pyridaben|2-tert-Butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one|2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one|3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-|4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone|4-Chloro-2-(1,1-dimethylethyl)-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-3(2H)-pyridazinone|BAS 300|Damanlin|ELINCS No.: 405-700-3|GWN 1715|NC 129|NCI 129|Nexter|Pyramite|Sanmite|UNII-2E4JBA5272 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032573
ERPathway2016 ERPathway2016_235 Pyridaben 96489-71-3 DTXSID5032573 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)N1N=CC(SCC2=CC=C(C=C2)C(C)(C)C)=C(Cl)C1=O Pyridaben 96489-71-3|Pyridaben|2-tert-Butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one|2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one|3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-|4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone|4-Chloro-2-(1,1-dimethylethyl)-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-3(2H)-pyridazinone|BAS 300|Damanlin|ELINCS No.: 405-700-3|GWN 1715|NC 129|NCI 129|Nexter|Pyramite|Sanmite|UNII-2E4JBA5272 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032573
ERPathway2016 ERPathway2016_235 Pyridaben 96489-71-3 DTXSID5032573 Agonist ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)N1N=CC(SCC2=CC=C(C=C2)C(C)(C)C)=C(Cl)C1=O Pyridaben 96489-71-3|Pyridaben|2-tert-Butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one|2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one|3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-|4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone|4-Chloro-2-(1,1-dimethylethyl)-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-3(2H)-pyridazinone|BAS 300|Damanlin|ELINCS No.: 405-700-3|GWN 1715|NC 129|NCI 129|Nexter|Pyramite|Sanmite|UNII-2E4JBA5272 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032573
ERPathway2016 ERPathway2016_235 Pyridaben 96489-71-3 DTXSID5032573 Agonist ER Pathway Model, Antagonist Call Active Unitless CC(C)(C)N1N=CC(SCC2=CC=C(C=C2)C(C)(C)C)=C(Cl)C1=O Pyridaben 96489-71-3|Pyridaben|2-tert-Butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one|2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one|3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-|4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone|4-Chloro-2-(1,1-dimethylethyl)-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-3(2H)-pyridazinone|BAS 300|Damanlin|ELINCS No.: 405-700-3|GWN 1715|NC 129|NCI 129|Nexter|Pyramite|Sanmite|UNII-2E4JBA5272 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032573
ARPathway2016 ARPathway2016_1322 Pyridate 55512-33-9 DTXSID2032639 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCSC(=O)OC1=CC(Cl)=NN=C1C1=CC=CC=C1 Pyridate 55512-33-9|Pyridate|6-Chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate|BRN 0759528|Caswell No. 716A|EINECS 259-686-7|EPA Pesticide Chemical Code 128834|Fenpyrate|Lentagran|O-(6-Chloro-3-phenyl-4-pyridazinyl) S-octyl carbonothioate|UNII-JQH131LU0A https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032639
ARPathway2016 ARPathway2016_1322 Pyridate 55512-33-9 DTXSID2032639 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCSC(=O)OC1=CC(Cl)=NN=C1C1=CC=CC=C1 Pyridate 55512-33-9|Pyridate|6-Chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate|BRN 0759528|Caswell No. 716A|EINECS 259-686-7|EPA Pesticide Chemical Code 128834|Fenpyrate|Lentagran|O-(6-Chloro-3-phenyl-4-pyridazinyl) S-octyl carbonothioate|UNII-JQH131LU0A https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032639
ARPathway2016 ARPathway2016_1322 Pyridate 55512-33-9 DTXSID2032639 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCSC(=O)OC1=CC(Cl)=NN=C1C1=CC=CC=C1 Pyridate 55512-33-9|Pyridate|6-Chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate|BRN 0759528|Caswell No. 716A|EINECS 259-686-7|EPA Pesticide Chemical Code 128834|Fenpyrate|Lentagran|O-(6-Chloro-3-phenyl-4-pyridazinyl) S-octyl carbonothioate|UNII-JQH131LU0A https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032639
ARPathway2016 ARPathway2016_1322 Pyridate 55512-33-9 DTXSID2032639 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCSC(=O)OC1=CC(Cl)=NN=C1C1=CC=CC=C1 Pyridate 55512-33-9|Pyridate|6-Chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate|BRN 0759528|Caswell No. 716A|EINECS 259-686-7|EPA Pesticide Chemical Code 128834|Fenpyrate|Lentagran|O-(6-Chloro-3-phenyl-4-pyridazinyl) S-octyl carbonothioate|UNII-JQH131LU0A https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032639
ERPathway2016 ERPathway2016_813 Pyridate 55512-33-9 DTXSID2032639 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCSC(=O)OC1=CC(Cl)=NN=C1C1=CC=CC=C1 Pyridate 55512-33-9|Pyridate|6-Chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate|BRN 0759528|Caswell No. 716A|EINECS 259-686-7|EPA Pesticide Chemical Code 128834|Fenpyrate|Lentagran|O-(6-Chloro-3-phenyl-4-pyridazinyl) S-octyl carbonothioate|UNII-JQH131LU0A https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032639
ERPathway2016 ERPathway2016_813 Pyridate 55512-33-9 DTXSID2032639 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCSC(=O)OC1=CC(Cl)=NN=C1C1=CC=CC=C1 Pyridate 55512-33-9|Pyridate|6-Chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate|BRN 0759528|Caswell No. 716A|EINECS 259-686-7|EPA Pesticide Chemical Code 128834|Fenpyrate|Lentagran|O-(6-Chloro-3-phenyl-4-pyridazinyl) S-octyl carbonothioate|UNII-JQH131LU0A https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032639
ERPathway2016 ERPathway2016_813 Pyridate 55512-33-9 DTXSID2032639 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCSC(=O)OC1=CC(Cl)=NN=C1C1=CC=CC=C1 Pyridate 55512-33-9|Pyridate|6-Chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate|BRN 0759528|Caswell No. 716A|EINECS 259-686-7|EPA Pesticide Chemical Code 128834|Fenpyrate|Lentagran|O-(6-Chloro-3-phenyl-4-pyridazinyl) S-octyl carbonothioate|UNII-JQH131LU0A https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032639
ERPathway2016 ERPathway2016_813 Pyridate 55512-33-9 DTXSID2032639 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCSC(=O)OC1=CC(Cl)=NN=C1C1=CC=CC=C1 Pyridate 55512-33-9|Pyridate|6-Chloro-3-phenylpyridazin-4-yl S-octyl thiocarbonate|BRN 0759528|Caswell No. 716A|EINECS 259-686-7|EPA Pesticide Chemical Code 128834|Fenpyrate|Lentagran|O-(6-Chloro-3-phenyl-4-pyridazinyl) S-octyl carbonothioate|UNII-JQH131LU0A https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032639
ARPathway2016 ARPathway2016_1449 Pyridoxine 65-23-6 DTXSID4023541 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(O)C(CO)=C(CO)C=N1 Pyridoxine 65-23-6|Pyridoxine|2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine|2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine|2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin|2-methyl-3-hydroxy-4,5-dihydroxymethylpyridine|2-Methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine|2-methyl-4,5-dimethylol-pyridin-3-ol|2-Picoline-4,5-dimethanol, 3-hydroxy-|3-Hydroxy-2-Picoline-4,5-dimethanol|3-hydroxy-4,5-dimethylol-alpha-picoline|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-|4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol|5-Hydroxy-6-methyl-3,4-pyridinedimethanol|Adermin|Adermine|Bezatin|EINECS 200-603-0|Gravidox|Hydoxin|Piridossina|Piridoxina|piridoxinio|Pirivitol|Pyridoxin|Pyridoxinum|Pyridoxol|Pyridoxolum|UNII-KV2JZ1BI6Z|vitamin B6|2087491-32-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023541
ARPathway2016 ARPathway2016_1449 Pyridoxine 65-23-6 DTXSID4023541 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(O)C(CO)=C(CO)C=N1 Pyridoxine 65-23-6|Pyridoxine|2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine|2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine|2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin|2-methyl-3-hydroxy-4,5-dihydroxymethylpyridine|2-Methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine|2-methyl-4,5-dimethylol-pyridin-3-ol|2-Picoline-4,5-dimethanol, 3-hydroxy-|3-Hydroxy-2-Picoline-4,5-dimethanol|3-hydroxy-4,5-dimethylol-alpha-picoline|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-|4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol|5-Hydroxy-6-methyl-3,4-pyridinedimethanol|Adermin|Adermine|Bezatin|EINECS 200-603-0|Gravidox|Hydoxin|Piridossina|Piridoxina|piridoxinio|Pirivitol|Pyridoxin|Pyridoxinum|Pyridoxol|Pyridoxolum|UNII-KV2JZ1BI6Z|vitamin B6|2087491-32-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023541
ARPathway2016 ARPathway2016_1449 Pyridoxine 65-23-6 DTXSID4023541 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(O)C(CO)=C(CO)C=N1 Pyridoxine 65-23-6|Pyridoxine|2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine|2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine|2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin|2-methyl-3-hydroxy-4,5-dihydroxymethylpyridine|2-Methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine|2-methyl-4,5-dimethylol-pyridin-3-ol|2-Picoline-4,5-dimethanol, 3-hydroxy-|3-Hydroxy-2-Picoline-4,5-dimethanol|3-hydroxy-4,5-dimethylol-alpha-picoline|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-|4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol|5-Hydroxy-6-methyl-3,4-pyridinedimethanol|Adermin|Adermine|Bezatin|EINECS 200-603-0|Gravidox|Hydoxin|Piridossina|Piridoxina|piridoxinio|Pirivitol|Pyridoxin|Pyridoxinum|Pyridoxol|Pyridoxolum|UNII-KV2JZ1BI6Z|vitamin B6|2087491-32-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023541
ARPathway2016 ARPathway2016_1449 Pyridoxine 65-23-6 DTXSID4023541 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(O)C(CO)=C(CO)C=N1 Pyridoxine 65-23-6|Pyridoxine|2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine|2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine|2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin|2-methyl-3-hydroxy-4,5-dihydroxymethylpyridine|2-Methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine|2-methyl-4,5-dimethylol-pyridin-3-ol|2-Picoline-4,5-dimethanol, 3-hydroxy-|3-Hydroxy-2-Picoline-4,5-dimethanol|3-hydroxy-4,5-dimethylol-alpha-picoline|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-|4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol|5-Hydroxy-6-methyl-3,4-pyridinedimethanol|Adermin|Adermine|Bezatin|EINECS 200-603-0|Gravidox|Hydoxin|Piridossina|Piridoxina|piridoxinio|Pirivitol|Pyridoxin|Pyridoxinum|Pyridoxol|Pyridoxolum|UNII-KV2JZ1BI6Z|vitamin B6|2087491-32-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023541
ERPathway2016 ERPathway2016_944 Pyridoxine 65-23-6 DTXSID4023541 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(O)C(CO)=C(CO)C=N1 Pyridoxine 65-23-6|Pyridoxine|2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine|2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine|2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin|2-methyl-3-hydroxy-4,5-dihydroxymethylpyridine|2-Methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine|2-methyl-4,5-dimethylol-pyridin-3-ol|2-Picoline-4,5-dimethanol, 3-hydroxy-|3-Hydroxy-2-Picoline-4,5-dimethanol|3-hydroxy-4,5-dimethylol-alpha-picoline|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-|4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol|5-Hydroxy-6-methyl-3,4-pyridinedimethanol|Adermin|Adermine|Bezatin|EINECS 200-603-0|Gravidox|Hydoxin|Piridossina|Piridoxina|piridoxinio|Pirivitol|Pyridoxin|Pyridoxinum|Pyridoxol|Pyridoxolum|UNII-KV2JZ1BI6Z|vitamin B6|2087491-32-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023541
ERPathway2016 ERPathway2016_944 Pyridoxine 65-23-6 DTXSID4023541 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(O)C(CO)=C(CO)C=N1 Pyridoxine 65-23-6|Pyridoxine|2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine|2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine|2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin|2-methyl-3-hydroxy-4,5-dihydroxymethylpyridine|2-Methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine|2-methyl-4,5-dimethylol-pyridin-3-ol|2-Picoline-4,5-dimethanol, 3-hydroxy-|3-Hydroxy-2-Picoline-4,5-dimethanol|3-hydroxy-4,5-dimethylol-alpha-picoline|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-|4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol|5-Hydroxy-6-methyl-3,4-pyridinedimethanol|Adermin|Adermine|Bezatin|EINECS 200-603-0|Gravidox|Hydoxin|Piridossina|Piridoxina|piridoxinio|Pirivitol|Pyridoxin|Pyridoxinum|Pyridoxol|Pyridoxolum|UNII-KV2JZ1BI6Z|vitamin B6|2087491-32-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023541
ERPathway2016 ERPathway2016_944 Pyridoxine 65-23-6 DTXSID4023541 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(O)C(CO)=C(CO)C=N1 Pyridoxine 65-23-6|Pyridoxine|2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine|2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine|2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin|2-methyl-3-hydroxy-4,5-dihydroxymethylpyridine|2-Methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine|2-methyl-4,5-dimethylol-pyridin-3-ol|2-Picoline-4,5-dimethanol, 3-hydroxy-|3-Hydroxy-2-Picoline-4,5-dimethanol|3-hydroxy-4,5-dimethylol-alpha-picoline|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-|4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol|5-Hydroxy-6-methyl-3,4-pyridinedimethanol|Adermin|Adermine|Bezatin|EINECS 200-603-0|Gravidox|Hydoxin|Piridossina|Piridoxina|piridoxinio|Pirivitol|Pyridoxin|Pyridoxinum|Pyridoxol|Pyridoxolum|UNII-KV2JZ1BI6Z|vitamin B6|2087491-32-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023541
ERPathway2016 ERPathway2016_944 Pyridoxine 65-23-6 DTXSID4023541 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(O)C(CO)=C(CO)C=N1 Pyridoxine 65-23-6|Pyridoxine|2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine|2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine|2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin|2-methyl-3-hydroxy-4,5-dihydroxymethylpyridine|2-Methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine|2-methyl-4,5-dimethylol-pyridin-3-ol|2-Picoline-4,5-dimethanol, 3-hydroxy-|3-Hydroxy-2-Picoline-4,5-dimethanol|3-hydroxy-4,5-dimethylol-alpha-picoline|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-|4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol|5-Hydroxy-6-methyl-3,4-pyridinedimethanol|Adermin|Adermine|Bezatin|EINECS 200-603-0|Gravidox|Hydoxin|Piridossina|Piridoxina|piridoxinio|Pirivitol|Pyridoxin|Pyridoxinum|Pyridoxol|Pyridoxolum|UNII-KV2JZ1BI6Z|vitamin B6|2087491-32-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4023541
ARPathway2016 ARPathway2016_1362 Pyridoxine hydrochloride 58-56-0 DTXSID1040792 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.CC1=NC=C(CO)C(CO)=C1O Pyridoxine hydrochloride 58-56-0|Pyridoxine hydrochloride|2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine hydrochloride|2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine hydrochloride|3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine hydrochloride|3-Hydroxy-4,5-dihydroxymethyl-2-methylpyridine hydrochloride|3-hydroxy-4,5-dimethylol-alpha-picoline hydrochloride|3-Hydroxy-4,5-dimethylol-a-picoline hydrochloride|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride (1:1)|4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride|4,5-Bis(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride|4,5-Di(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride|4,5-Dimethylol-3-hydroxy-2-methylpyridine hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedicarbinol hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedimethanol, hydrochloride|Aderomine hydrochloride|Aderoxin|Aderoxine|Alestrol|Becilan|Benadon|Bonadoxin|Bonasanit|Campoviton 6|EINECS 200-386-2|Godabion|Hexa-B https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040792
ARPathway2016 ARPathway2016_1362 Pyridoxine hydrochloride 58-56-0 DTXSID1040792 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Cl.CC1=NC=C(CO)C(CO)=C1O Pyridoxine hydrochloride 58-56-0|Pyridoxine hydrochloride|2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine hydrochloride|2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine hydrochloride|3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine hydrochloride|3-Hydroxy-4,5-dihydroxymethyl-2-methylpyridine hydrochloride|3-hydroxy-4,5-dimethylol-alpha-picoline hydrochloride|3-Hydroxy-4,5-dimethylol-a-picoline hydrochloride|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride (1:1)|4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride|4,5-Bis(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride|4,5-Di(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride|4,5-Dimethylol-3-hydroxy-2-methylpyridine hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedicarbinol hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedimethanol, hydrochloride|Aderomine hydrochloride|Aderoxin|Aderoxine|Alestrol|Becilan|Benadon|Bonadoxin|Bonasanit|Campoviton 6|EINECS 200-386-2|Godabion|Hexa-B https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040792
ARPathway2016 ARPathway2016_1362 Pyridoxine hydrochloride 58-56-0 DTXSID1040792 0.0 AR Pathway Model, Agonist Call Inactive Unitless Cl.CC1=NC=C(CO)C(CO)=C1O Pyridoxine hydrochloride 58-56-0|Pyridoxine hydrochloride|2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine hydrochloride|2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine hydrochloride|3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine hydrochloride|3-Hydroxy-4,5-dihydroxymethyl-2-methylpyridine hydrochloride|3-hydroxy-4,5-dimethylol-alpha-picoline hydrochloride|3-Hydroxy-4,5-dimethylol-a-picoline hydrochloride|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride (1:1)|4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride|4,5-Bis(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride|4,5-Di(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride|4,5-Dimethylol-3-hydroxy-2-methylpyridine hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedicarbinol hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedimethanol, hydrochloride|Aderomine hydrochloride|Aderoxin|Aderoxine|Alestrol|Becilan|Benadon|Bonadoxin|Bonasanit|Campoviton 6|EINECS 200-386-2|Godabion|Hexa-B https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040792
ARPathway2016 ARPathway2016_1362 Pyridoxine hydrochloride 58-56-0 DTXSID1040792 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Cl.CC1=NC=C(CO)C(CO)=C1O Pyridoxine hydrochloride 58-56-0|Pyridoxine hydrochloride|2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine hydrochloride|2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine hydrochloride|3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine hydrochloride|3-Hydroxy-4,5-dihydroxymethyl-2-methylpyridine hydrochloride|3-hydroxy-4,5-dimethylol-alpha-picoline hydrochloride|3-Hydroxy-4,5-dimethylol-a-picoline hydrochloride|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride (1:1)|4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride|4,5-Bis(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride|4,5-Di(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride|4,5-Dimethylol-3-hydroxy-2-methylpyridine hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedicarbinol hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedimethanol, hydrochloride|Aderomine hydrochloride|Aderoxin|Aderoxine|Alestrol|Becilan|Benadon|Bonadoxin|Bonasanit|Campoviton 6|EINECS 200-386-2|Godabion|Hexa-B https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040792
ERPathway2016 ERPathway2016_1559 Pyridoxine hydrochloride 58-56-0 DTXSID1040792 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CC1=NC=C(CO)C(CO)=C1O Pyridoxine hydrochloride 58-56-0|Pyridoxine hydrochloride|2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine hydrochloride|2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine hydrochloride|3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine hydrochloride|3-Hydroxy-4,5-dihydroxymethyl-2-methylpyridine hydrochloride|3-hydroxy-4,5-dimethylol-alpha-picoline hydrochloride|3-Hydroxy-4,5-dimethylol-a-picoline hydrochloride|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride (1:1)|4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride|4,5-Bis(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride|4,5-Di(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride|4,5-Dimethylol-3-hydroxy-2-methylpyridine hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedicarbinol hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedimethanol, hydrochloride|Aderomine hydrochloride|Aderoxin|Aderoxine|Alestrol|Becilan|Benadon|Bonadoxin|Bonasanit|Campoviton 6|EINECS 200-386-2|Godabion|Hexa-B https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040792
ERPathway2016 ERPathway2016_1559 Pyridoxine hydrochloride 58-56-0 DTXSID1040792 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CC1=NC=C(CO)C(CO)=C1O Pyridoxine hydrochloride 58-56-0|Pyridoxine hydrochloride|2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine hydrochloride|2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine hydrochloride|3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine hydrochloride|3-Hydroxy-4,5-dihydroxymethyl-2-methylpyridine hydrochloride|3-hydroxy-4,5-dimethylol-alpha-picoline hydrochloride|3-Hydroxy-4,5-dimethylol-a-picoline hydrochloride|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride (1:1)|4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride|4,5-Bis(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride|4,5-Di(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride|4,5-Dimethylol-3-hydroxy-2-methylpyridine hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedicarbinol hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedimethanol, hydrochloride|Aderomine hydrochloride|Aderoxin|Aderoxine|Alestrol|Becilan|Benadon|Bonadoxin|Bonasanit|Campoviton 6|EINECS 200-386-2|Godabion|Hexa-B https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040792
ERPathway2016 ERPathway2016_1559 Pyridoxine hydrochloride 58-56-0 DTXSID1040792 ER Pathway Model, Agonist Call Inactive Unitless Cl.CC1=NC=C(CO)C(CO)=C1O Pyridoxine hydrochloride 58-56-0|Pyridoxine hydrochloride|2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine hydrochloride|2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine hydrochloride|3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine hydrochloride|3-Hydroxy-4,5-dihydroxymethyl-2-methylpyridine hydrochloride|3-hydroxy-4,5-dimethylol-alpha-picoline hydrochloride|3-Hydroxy-4,5-dimethylol-a-picoline hydrochloride|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride (1:1)|4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride|4,5-Bis(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride|4,5-Di(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride|4,5-Dimethylol-3-hydroxy-2-methylpyridine hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedicarbinol hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedimethanol, hydrochloride|Aderomine hydrochloride|Aderoxin|Aderoxine|Alestrol|Becilan|Benadon|Bonadoxin|Bonasanit|Campoviton 6|EINECS 200-386-2|Godabion|Hexa-B https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040792
ERPathway2016 ERPathway2016_1559 Pyridoxine hydrochloride 58-56-0 DTXSID1040792 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CC1=NC=C(CO)C(CO)=C1O Pyridoxine hydrochloride 58-56-0|Pyridoxine hydrochloride|2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine hydrochloride|2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine hydrochloride|3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine hydrochloride|3-Hydroxy-4,5-dihydroxymethyl-2-methylpyridine hydrochloride|3-hydroxy-4,5-dimethylol-alpha-picoline hydrochloride|3-Hydroxy-4,5-dimethylol-a-picoline hydrochloride|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride|3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride (1:1)|4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride|4,5-Bis(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride|4,5-Di(hydroxymethyl)-3-hydroxy-2-methylpyridine hydrochloride|4,5-Dimethylol-3-hydroxy-2-methylpyridine hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedicarbinol hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride|5-Hydroxy-6-methyl-3,4-pyridinedimethanol, hydrochloride|Aderomine hydrochloride|Aderoxin|Aderoxine|Alestrol|Becilan|Benadon|Bonadoxin|Bonasanit|Campoviton 6|EINECS 200-386-2|Godabion|Hexa-B https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040792
ARPathway2016 ARPathway2016_1353 Pyrimethamine 58-14-0 DTXSID9021217 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=C1 Pyrimethamine 58-14-0|Pyrimethamine|2, 4-Diamino-5-(4'-chlorophenyl)-6-ethylpyrimidine|2, 4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine|2,4-Diamino-5-p-chlorophenyl-6-ethylpyrimidine|2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-|5-(4-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine|5-(4-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine|5-(4-Chlorophenyl)-6-ethyl-2,4-pyrimidinediamine|5-(4'-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine|5-(P-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine|BRN 0219864|CD|Chloridin|Chloridine|Chloridyn|Darachlor|Darapram|Daraprim|Daraprime|Diaminopyritamin|EINECS 200-364-2|Erbaprelina|Ethylpyrimidine|Khloridin|Malacid|Malocid|Malocide|NCI-C01683|NSC 3061|Pirimecidan|Pirimetamin|pirimetamina|Primethamine|Pyrimethamin|PYRIMETHAMINE BASE|Pyrimethaminum|Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-ethyl-|Tindurin|Tinduring|UNII-Z3614QOX8W https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021217 https://doi.org/10.22427/NTP-DATA-DTXSID9021217
ARPathway2016 ARPathway2016_1353 Pyrimethamine 58-14-0 DTXSID9021217 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=C1 Pyrimethamine 58-14-0|Pyrimethamine|2, 4-Diamino-5-(4'-chlorophenyl)-6-ethylpyrimidine|2, 4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine|2,4-Diamino-5-p-chlorophenyl-6-ethylpyrimidine|2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-|5-(4-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine|5-(4-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine|5-(4-Chlorophenyl)-6-ethyl-2,4-pyrimidinediamine|5-(4'-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine|5-(P-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine|BRN 0219864|CD|Chloridin|Chloridine|Chloridyn|Darachlor|Darapram|Daraprim|Daraprime|Diaminopyritamin|EINECS 200-364-2|Erbaprelina|Ethylpyrimidine|Khloridin|Malacid|Malocid|Malocide|NCI-C01683|NSC 3061|Pirimecidan|Pirimetamin|pirimetamina|Primethamine|Pyrimethamin|PYRIMETHAMINE BASE|Pyrimethaminum|Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-ethyl-|Tindurin|Tinduring|UNII-Z3614QOX8W https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021217 https://doi.org/10.22427/NTP-DATA-DTXSID9021217
ARPathway2016 ARPathway2016_1353 Pyrimethamine 58-14-0 DTXSID9021217 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Agonist Call Inactive Unitless CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=C1 Pyrimethamine 58-14-0|Pyrimethamine|2, 4-Diamino-5-(4'-chlorophenyl)-6-ethylpyrimidine|2, 4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine|2,4-Diamino-5-p-chlorophenyl-6-ethylpyrimidine|2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-|5-(4-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine|5-(4-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine|5-(4-Chlorophenyl)-6-ethyl-2,4-pyrimidinediamine|5-(4'-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine|5-(P-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine|BRN 0219864|CD|Chloridin|Chloridine|Chloridyn|Darachlor|Darapram|Daraprim|Daraprime|Diaminopyritamin|EINECS 200-364-2|Erbaprelina|Ethylpyrimidine|Khloridin|Malacid|Malocid|Malocide|NCI-C01683|NSC 3061|Pirimecidan|Pirimetamin|pirimetamina|Primethamine|Pyrimethamin|PYRIMETHAMINE BASE|Pyrimethaminum|Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-ethyl-|Tindurin|Tinduring|UNII-Z3614QOX8W https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021217 https://doi.org/10.22427/NTP-DATA-DTXSID9021217
ARPathway2016 ARPathway2016_1353 Pyrimethamine 58-14-0 DTXSID9021217 FLAG: Antagonist shift, but CI overlap 1.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=C1 Pyrimethamine 58-14-0|Pyrimethamine|2, 4-Diamino-5-(4'-chlorophenyl)-6-ethylpyrimidine|2, 4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine|2,4-Diamino-5-p-chlorophenyl-6-ethylpyrimidine|2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-|5-(4-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine|5-(4-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine|5-(4-Chlorophenyl)-6-ethyl-2,4-pyrimidinediamine|5-(4'-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine|5-(P-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine|BRN 0219864|CD|Chloridin|Chloridine|Chloridyn|Darachlor|Darapram|Daraprim|Daraprime|Diaminopyritamin|EINECS 200-364-2|Erbaprelina|Ethylpyrimidine|Khloridin|Malacid|Malocid|Malocide|NCI-C01683|NSC 3061|Pirimecidan|Pirimetamin|pirimetamina|Primethamine|Pyrimethamin|PYRIMETHAMINE BASE|Pyrimethaminum|Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-ethyl-|Tindurin|Tinduring|UNII-Z3614QOX8W https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021217 https://doi.org/10.22427/NTP-DATA-DTXSID9021217
ERPathway2016 ERPathway2016_629 Pyrimethamine 58-14-0 DTXSID9021217 A13 ER Pathway Model, Agonist Model Score 0 Unitless CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=C1 Pyrimethamine 58-14-0|Pyrimethamine|2, 4-Diamino-5-(4'-chlorophenyl)-6-ethylpyrimidine|2, 4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine|2,4-Diamino-5-p-chlorophenyl-6-ethylpyrimidine|2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-|5-(4-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine|5-(4-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine|5-(4-Chlorophenyl)-6-ethyl-2,4-pyrimidinediamine|5-(4'-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine|5-(P-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine|BRN 0219864|CD|Chloridin|Chloridine|Chloridyn|Darachlor|Darapram|Daraprim|Daraprime|Diaminopyritamin|EINECS 200-364-2|Erbaprelina|Ethylpyrimidine|Khloridin|Malacid|Malocid|Malocide|NCI-C01683|NSC 3061|Pirimecidan|Pirimetamin|pirimetamina|Primethamine|Pyrimethamin|PYRIMETHAMINE BASE|Pyrimethaminum|Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-ethyl-|Tindurin|Tinduring|UNII-Z3614QOX8W https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021217 https://doi.org/10.22427/NTP-DATA-DTXSID9021217
ERPathway2016 ERPathway2016_629 Pyrimethamine 58-14-0 DTXSID9021217 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=C1 Pyrimethamine 58-14-0|Pyrimethamine|2, 4-Diamino-5-(4'-chlorophenyl)-6-ethylpyrimidine|2, 4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine|2,4-Diamino-5-p-chlorophenyl-6-ethylpyrimidine|2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-|5-(4-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine|5-(4-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine|5-(4-Chlorophenyl)-6-ethyl-2,4-pyrimidinediamine|5-(4'-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine|5-(P-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine|BRN 0219864|CD|Chloridin|Chloridine|Chloridyn|Darachlor|Darapram|Daraprim|Daraprime|Diaminopyritamin|EINECS 200-364-2|Erbaprelina|Ethylpyrimidine|Khloridin|Malacid|Malocid|Malocide|NCI-C01683|NSC 3061|Pirimecidan|Pirimetamin|pirimetamina|Primethamine|Pyrimethamin|PYRIMETHAMINE BASE|Pyrimethaminum|Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-ethyl-|Tindurin|Tinduring|UNII-Z3614QOX8W https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021217 https://doi.org/10.22427/NTP-DATA-DTXSID9021217
ERPathway2016 ERPathway2016_629 Pyrimethamine 58-14-0 DTXSID9021217 A13 ER Pathway Model, Agonist Call Inactive Unitless CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=C1 Pyrimethamine 58-14-0|Pyrimethamine|2, 4-Diamino-5-(4'-chlorophenyl)-6-ethylpyrimidine|2, 4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine|2,4-Diamino-5-p-chlorophenyl-6-ethylpyrimidine|2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-|5-(4-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine|5-(4-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine|5-(4-Chlorophenyl)-6-ethyl-2,4-pyrimidinediamine|5-(4'-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine|5-(P-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine|BRN 0219864|CD|Chloridin|Chloridine|Chloridyn|Darachlor|Darapram|Daraprim|Daraprime|Diaminopyritamin|EINECS 200-364-2|Erbaprelina|Ethylpyrimidine|Khloridin|Malacid|Malocid|Malocide|NCI-C01683|NSC 3061|Pirimecidan|Pirimetamin|pirimetamina|Primethamine|Pyrimethamin|PYRIMETHAMINE BASE|Pyrimethaminum|Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-ethyl-|Tindurin|Tinduring|UNII-Z3614QOX8W https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021217 https://doi.org/10.22427/NTP-DATA-DTXSID9021217
ERPathway2016 ERPathway2016_629 Pyrimethamine 58-14-0 DTXSID9021217 A13 ER Pathway Model, Antagonist Call Inactive Unitless CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=C1 Pyrimethamine 58-14-0|Pyrimethamine|2, 4-Diamino-5-(4'-chlorophenyl)-6-ethylpyrimidine|2, 4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine|2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine|2,4-Diamino-5-p-chlorophenyl-6-ethylpyrimidine|2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-|5-(4-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine|5-(4-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine|5-(4-Chlorophenyl)-6-ethyl-2,4-pyrimidinediamine|5-(4'-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine|5-(P-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine|BRN 0219864|CD|Chloridin|Chloridine|Chloridyn|Darachlor|Darapram|Daraprim|Daraprime|Diaminopyritamin|EINECS 200-364-2|Erbaprelina|Ethylpyrimidine|Khloridin|Malacid|Malocid|Malocide|NCI-C01683|NSC 3061|Pirimecidan|Pirimetamin|pirimetamina|Primethamine|Pyrimethamin|PYRIMETHAMINE BASE|Pyrimethaminum|Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-ethyl-|Tindurin|Tinduring|UNII-Z3614QOX8W https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021217 https://doi.org/10.22427/NTP-DATA-DTXSID9021217
ARPathway2016 ARPathway2016_1285 Pyrimethanil 53112-28-0 DTXSID8034877 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=NC(NC2=CC=CC=C2)=N1 Pyrimethanil 53112-28-0|Pyrimethanil|2-Anilino-4,6-dimethylpyrimidine|2- Pyrimidinamine, 4, 6- dimethyl- N- phenyl-|4,6-Dimethyl-N-phenyl-2-pyrimidinamine|4,6-dimethyl-N-phenylpyrimidin-2-amine|610-963-4|AE B100309|BAS 605 F|EC No.: 610-963-4|ELINCS No.: 414-220-3|Mythos|Mythos 300SC|N-(4,6-Dimethylpyrimidin-2-yl)aniline|Penbotec|Scala|Siganex|SN 100309|UNII-6IA5HP6C8Z|Xedathane 20|ZK 100309 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034877
ARPathway2016 ARPathway2016_1285 Pyrimethanil 53112-28-0 DTXSID8034877 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=NC(NC2=CC=CC=C2)=N1 Pyrimethanil 53112-28-0|Pyrimethanil|2-Anilino-4,6-dimethylpyrimidine|2- Pyrimidinamine, 4, 6- dimethyl- N- phenyl-|4,6-Dimethyl-N-phenyl-2-pyrimidinamine|4,6-dimethyl-N-phenylpyrimidin-2-amine|610-963-4|AE B100309|BAS 605 F|EC No.: 610-963-4|ELINCS No.: 414-220-3|Mythos|Mythos 300SC|N-(4,6-Dimethylpyrimidin-2-yl)aniline|Penbotec|Scala|Siganex|SN 100309|UNII-6IA5HP6C8Z|Xedathane 20|ZK 100309 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034877
ARPathway2016 ARPathway2016_1285 Pyrimethanil 53112-28-0 DTXSID8034877 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=NC(NC2=CC=CC=C2)=N1 Pyrimethanil 53112-28-0|Pyrimethanil|2-Anilino-4,6-dimethylpyrimidine|2- Pyrimidinamine, 4, 6- dimethyl- N- phenyl-|4,6-Dimethyl-N-phenyl-2-pyrimidinamine|4,6-dimethyl-N-phenylpyrimidin-2-amine|610-963-4|AE B100309|BAS 605 F|EC No.: 610-963-4|ELINCS No.: 414-220-3|Mythos|Mythos 300SC|N-(4,6-Dimethylpyrimidin-2-yl)aniline|Penbotec|Scala|Siganex|SN 100309|UNII-6IA5HP6C8Z|Xedathane 20|ZK 100309 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034877
ARPathway2016 ARPathway2016_1285 Pyrimethanil 53112-28-0 DTXSID8034877 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=NC(NC2=CC=CC=C2)=N1 Pyrimethanil 53112-28-0|Pyrimethanil|2-Anilino-4,6-dimethylpyrimidine|2- Pyrimidinamine, 4, 6- dimethyl- N- phenyl-|4,6-Dimethyl-N-phenyl-2-pyrimidinamine|4,6-dimethyl-N-phenylpyrimidin-2-amine|610-963-4|AE B100309|BAS 605 F|EC No.: 610-963-4|ELINCS No.: 414-220-3|Mythos|Mythos 300SC|N-(4,6-Dimethylpyrimidin-2-yl)aniline|Penbotec|Scala|Siganex|SN 100309|UNII-6IA5HP6C8Z|Xedathane 20|ZK 100309 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034877
ERPathway2016 ERPathway2016_1514 Pyrimethanil 53112-28-0 DTXSID8034877 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=NC(NC2=CC=CC=C2)=N1 Pyrimethanil 53112-28-0|Pyrimethanil|2-Anilino-4,6-dimethylpyrimidine|2- Pyrimidinamine, 4, 6- dimethyl- N- phenyl-|4,6-Dimethyl-N-phenyl-2-pyrimidinamine|4,6-dimethyl-N-phenylpyrimidin-2-amine|610-963-4|AE B100309|BAS 605 F|EC No.: 610-963-4|ELINCS No.: 414-220-3|Mythos|Mythos 300SC|N-(4,6-Dimethylpyrimidin-2-yl)aniline|Penbotec|Scala|Siganex|SN 100309|UNII-6IA5HP6C8Z|Xedathane 20|ZK 100309 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034877
ERPathway2016 ERPathway2016_1514 Pyrimethanil 53112-28-0 DTXSID8034877 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=NC(NC2=CC=CC=C2)=N1 Pyrimethanil 53112-28-0|Pyrimethanil|2-Anilino-4,6-dimethylpyrimidine|2- Pyrimidinamine, 4, 6- dimethyl- N- phenyl-|4,6-Dimethyl-N-phenyl-2-pyrimidinamine|4,6-dimethyl-N-phenylpyrimidin-2-amine|610-963-4|AE B100309|BAS 605 F|EC No.: 610-963-4|ELINCS No.: 414-220-3|Mythos|Mythos 300SC|N-(4,6-Dimethylpyrimidin-2-yl)aniline|Penbotec|Scala|Siganex|SN 100309|UNII-6IA5HP6C8Z|Xedathane 20|ZK 100309 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034877
ERPathway2016 ERPathway2016_1514 Pyrimethanil 53112-28-0 DTXSID8034877 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=NC(NC2=CC=CC=C2)=N1 Pyrimethanil 53112-28-0|Pyrimethanil|2-Anilino-4,6-dimethylpyrimidine|2- Pyrimidinamine, 4, 6- dimethyl- N- phenyl-|4,6-Dimethyl-N-phenyl-2-pyrimidinamine|4,6-dimethyl-N-phenylpyrimidin-2-amine|610-963-4|AE B100309|BAS 605 F|EC No.: 610-963-4|ELINCS No.: 414-220-3|Mythos|Mythos 300SC|N-(4,6-Dimethylpyrimidin-2-yl)aniline|Penbotec|Scala|Siganex|SN 100309|UNII-6IA5HP6C8Z|Xedathane 20|ZK 100309 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034877
ERPathway2016 ERPathway2016_1514 Pyrimethanil 53112-28-0 DTXSID8034877 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=NC(NC2=CC=CC=C2)=N1 Pyrimethanil 53112-28-0|Pyrimethanil|2-Anilino-4,6-dimethylpyrimidine|2- Pyrimidinamine, 4, 6- dimethyl- N- phenyl-|4,6-Dimethyl-N-phenyl-2-pyrimidinamine|4,6-dimethyl-N-phenylpyrimidin-2-amine|610-963-4|AE B100309|BAS 605 F|EC No.: 610-963-4|ELINCS No.: 414-220-3|Mythos|Mythos 300SC|N-(4,6-Dimethylpyrimidin-2-yl)aniline|Penbotec|Scala|Siganex|SN 100309|UNII-6IA5HP6C8Z|Xedathane 20|ZK 100309 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034877
ARPathway2016 ARPathway2016_1766 Pyriproxyfen 95737-68-1 DTXSID1032640 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(COC1=CC=C(OC2=CC=CC=C2)C=C1)OC1=NC=CC=C1 Pyriproxyfen 95737-68-1|Pyriproxyfen|2-(1-Methyl-2-(4-phenoxyphenoxy)ethoxy)pyridine|2-[1-Methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine|4-Phenoxyphenyl (RS)-2-(2-pyridyloxy)propyl ether|Admiral|Distance|Juventox|Juvinal|Lano Tape|Nemesis|Pyridine, 2-(1-methyl-2-(4-phenoxyphenoxy)ethoxy)-|Pyridine, 2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]-|Sumilarv|UNII-3Q9VOR705O|126040-81-1|133695-78-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032640 https://doi.org/10.22427/NTP-DATA-DTXSID1032640
ARPathway2016 ARPathway2016_1766 Pyriproxyfen 95737-68-1 DTXSID1032640 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(COC1=CC=C(OC2=CC=CC=C2)C=C1)OC1=NC=CC=C1 Pyriproxyfen 95737-68-1|Pyriproxyfen|2-(1-Methyl-2-(4-phenoxyphenoxy)ethoxy)pyridine|2-[1-Methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine|4-Phenoxyphenyl (RS)-2-(2-pyridyloxy)propyl ether|Admiral|Distance|Juventox|Juvinal|Lano Tape|Nemesis|Pyridine, 2-(1-methyl-2-(4-phenoxyphenoxy)ethoxy)-|Pyridine, 2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]-|Sumilarv|UNII-3Q9VOR705O|126040-81-1|133695-78-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032640 https://doi.org/10.22427/NTP-DATA-DTXSID1032640
ARPathway2016 ARPathway2016_1766 Pyriproxyfen 95737-68-1 DTXSID1032640 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(COC1=CC=C(OC2=CC=CC=C2)C=C1)OC1=NC=CC=C1 Pyriproxyfen 95737-68-1|Pyriproxyfen|2-(1-Methyl-2-(4-phenoxyphenoxy)ethoxy)pyridine|2-[1-Methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine|4-Phenoxyphenyl (RS)-2-(2-pyridyloxy)propyl ether|Admiral|Distance|Juventox|Juvinal|Lano Tape|Nemesis|Pyridine, 2-(1-methyl-2-(4-phenoxyphenoxy)ethoxy)-|Pyridine, 2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]-|Sumilarv|UNII-3Q9VOR705O|126040-81-1|133695-78-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032640 https://doi.org/10.22427/NTP-DATA-DTXSID1032640
ARPathway2016 ARPathway2016_1766 Pyriproxyfen 95737-68-1 DTXSID1032640 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(COC1=CC=C(OC2=CC=CC=C2)C=C1)OC1=NC=CC=C1 Pyriproxyfen 95737-68-1|Pyriproxyfen|2-(1-Methyl-2-(4-phenoxyphenoxy)ethoxy)pyridine|2-[1-Methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine|4-Phenoxyphenyl (RS)-2-(2-pyridyloxy)propyl ether|Admiral|Distance|Juventox|Juvinal|Lano Tape|Nemesis|Pyridine, 2-(1-methyl-2-(4-phenoxyphenoxy)ethoxy)-|Pyridine, 2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]-|Sumilarv|UNII-3Q9VOR705O|126040-81-1|133695-78-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032640 https://doi.org/10.22427/NTP-DATA-DTXSID1032640
ERPathway2016 ERPathway2016_321 Pyriproxyfen 95737-68-1 DTXSID1032640 ER Pathway Model, Antagonist AC50 13.3053078478821 uM CC(COC1=CC=C(OC2=CC=CC=C2)C=C1)OC1=NC=CC=C1 Pyriproxyfen 95737-68-1|Pyriproxyfen|2-(1-Methyl-2-(4-phenoxyphenoxy)ethoxy)pyridine|2-[1-Methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine|4-Phenoxyphenyl (RS)-2-(2-pyridyloxy)propyl ether|Admiral|Distance|Juventox|Juvinal|Lano Tape|Nemesis|Pyridine, 2-(1-methyl-2-(4-phenoxyphenoxy)ethoxy)-|Pyridine, 2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]-|Sumilarv|UNII-3Q9VOR705O|126040-81-1|133695-78-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032640 https://doi.org/10.22427/NTP-DATA-DTXSID1032640
ERPathway2016 ERPathway2016_321 Pyriproxyfen 95737-68-1 DTXSID1032640 ER Pathway Model, Antagonist ACC 11.7564226296297 uM CC(COC1=CC=C(OC2=CC=CC=C2)C=C1)OC1=NC=CC=C1 Pyriproxyfen 95737-68-1|Pyriproxyfen|2-(1-Methyl-2-(4-phenoxyphenoxy)ethoxy)pyridine|2-[1-Methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine|4-Phenoxyphenyl (RS)-2-(2-pyridyloxy)propyl ether|Admiral|Distance|Juventox|Juvinal|Lano Tape|Nemesis|Pyridine, 2-(1-methyl-2-(4-phenoxyphenoxy)ethoxy)-|Pyridine, 2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]-|Sumilarv|UNII-3Q9VOR705O|126040-81-1|133695-78-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032640 https://doi.org/10.22427/NTP-DATA-DTXSID1032640
ERPathway2016 ERPathway2016_321 Pyriproxyfen 95737-68-1 DTXSID1032640 ER Pathway Model, Agonist Model Score 0.0259 Unitless CC(COC1=CC=C(OC2=CC=CC=C2)C=C1)OC1=NC=CC=C1 Pyriproxyfen 95737-68-1|Pyriproxyfen|2-(1-Methyl-2-(4-phenoxyphenoxy)ethoxy)pyridine|2-[1-Methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine|4-Phenoxyphenyl (RS)-2-(2-pyridyloxy)propyl ether|Admiral|Distance|Juventox|Juvinal|Lano Tape|Nemesis|Pyridine, 2-(1-methyl-2-(4-phenoxyphenoxy)ethoxy)-|Pyridine, 2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]-|Sumilarv|UNII-3Q9VOR705O|126040-81-1|133695-78-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032640 https://doi.org/10.22427/NTP-DATA-DTXSID1032640
ERPathway2016 ERPathway2016_321 Pyriproxyfen 95737-68-1 DTXSID1032640 ER Pathway Model, Antagonist Model Score 0 Unitless CC(COC1=CC=C(OC2=CC=CC=C2)C=C1)OC1=NC=CC=C1 Pyriproxyfen 95737-68-1|Pyriproxyfen|2-(1-Methyl-2-(4-phenoxyphenoxy)ethoxy)pyridine|2-[1-Methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine|4-Phenoxyphenyl (RS)-2-(2-pyridyloxy)propyl ether|Admiral|Distance|Juventox|Juvinal|Lano Tape|Nemesis|Pyridine, 2-(1-methyl-2-(4-phenoxyphenoxy)ethoxy)-|Pyridine, 2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]-|Sumilarv|UNII-3Q9VOR705O|126040-81-1|133695-78-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032640 https://doi.org/10.22427/NTP-DATA-DTXSID1032640
ERPathway2016 ERPathway2016_321 Pyriproxyfen 95737-68-1 DTXSID1032640 ER Pathway Model, Agonist Call Inactive Unitless CC(COC1=CC=C(OC2=CC=CC=C2)C=C1)OC1=NC=CC=C1 Pyriproxyfen 95737-68-1|Pyriproxyfen|2-(1-Methyl-2-(4-phenoxyphenoxy)ethoxy)pyridine|2-[1-Methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine|4-Phenoxyphenyl (RS)-2-(2-pyridyloxy)propyl ether|Admiral|Distance|Juventox|Juvinal|Lano Tape|Nemesis|Pyridine, 2-(1-methyl-2-(4-phenoxyphenoxy)ethoxy)-|Pyridine, 2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]-|Sumilarv|UNII-3Q9VOR705O|126040-81-1|133695-78-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032640 https://doi.org/10.22427/NTP-DATA-DTXSID1032640
ERPathway2016 ERPathway2016_321 Pyriproxyfen 95737-68-1 DTXSID1032640 ER Pathway Model, Antagonist Call Active Unitless CC(COC1=CC=C(OC2=CC=CC=C2)C=C1)OC1=NC=CC=C1 Pyriproxyfen 95737-68-1|Pyriproxyfen|2-(1-Methyl-2-(4-phenoxyphenoxy)ethoxy)pyridine|2-[1-Methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine|4-Phenoxyphenyl (RS)-2-(2-pyridyloxy)propyl ether|Admiral|Distance|Juventox|Juvinal|Lano Tape|Nemesis|Pyridine, 2-(1-methyl-2-(4-phenoxyphenoxy)ethoxy)-|Pyridine, 2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]-|Sumilarv|UNII-3Q9VOR705O|126040-81-1|133695-78-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032640 https://doi.org/10.22427/NTP-DATA-DTXSID1032640
ARPathway2016 ARPathway2016_719 Pyrithiobac sodium 123343-16-8 DTXSID8032673 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].COC1=CC(OC)=NC(SC2=C(C([O-])=O)C(Cl)=CC=C2)=N1 Pyrithiobac sodium 123343-16-8|Pyrithiobac sodium|Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt|Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt (1:1)|DPX-PE 350|DPX-PE350|DPX-PE350-045|DPX-PE350-4|EC No.: 602-931-3|KIH 2031|Pyrithiobac sodium|Pyrithiobac sodium salt|Pyrithiobac-sodium|Sodium 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio0benzoate|Sodium 2-chloro-6-((4,6-dimethoxypyrimidin-2-yl)thio)benzoate|Sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoate|sodium 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoate|Staple|Staple 85SP|Staple LX|UNII-5M13LUJ9WY https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032673
ARPathway2016 ARPathway2016_719 Pyrithiobac sodium 123343-16-8 DTXSID8032673 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].COC1=CC(OC)=NC(SC2=C(C([O-])=O)C(Cl)=CC=C2)=N1 Pyrithiobac sodium 123343-16-8|Pyrithiobac sodium|Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt|Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt (1:1)|DPX-PE 350|DPX-PE350|DPX-PE350-045|DPX-PE350-4|EC No.: 602-931-3|KIH 2031|Pyrithiobac sodium|Pyrithiobac sodium salt|Pyrithiobac-sodium|Sodium 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio0benzoate|Sodium 2-chloro-6-((4,6-dimethoxypyrimidin-2-yl)thio)benzoate|Sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoate|sodium 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoate|Staple|Staple 85SP|Staple LX|UNII-5M13LUJ9WY https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032673
ARPathway2016 ARPathway2016_719 Pyrithiobac sodium 123343-16-8 DTXSID8032673 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].COC1=CC(OC)=NC(SC2=C(C([O-])=O)C(Cl)=CC=C2)=N1 Pyrithiobac sodium 123343-16-8|Pyrithiobac sodium|Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt|Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt (1:1)|DPX-PE 350|DPX-PE350|DPX-PE350-045|DPX-PE350-4|EC No.: 602-931-3|KIH 2031|Pyrithiobac sodium|Pyrithiobac sodium salt|Pyrithiobac-sodium|Sodium 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio0benzoate|Sodium 2-chloro-6-((4,6-dimethoxypyrimidin-2-yl)thio)benzoate|Sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoate|sodium 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoate|Staple|Staple 85SP|Staple LX|UNII-5M13LUJ9WY https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032673
ARPathway2016 ARPathway2016_719 Pyrithiobac sodium 123343-16-8 DTXSID8032673 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].COC1=CC(OC)=NC(SC2=C(C([O-])=O)C(Cl)=CC=C2)=N1 Pyrithiobac sodium 123343-16-8|Pyrithiobac sodium|Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt|Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt (1:1)|DPX-PE 350|DPX-PE350|DPX-PE350-045|DPX-PE350-4|EC No.: 602-931-3|KIH 2031|Pyrithiobac sodium|Pyrithiobac sodium salt|Pyrithiobac-sodium|Sodium 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio0benzoate|Sodium 2-chloro-6-((4,6-dimethoxypyrimidin-2-yl)thio)benzoate|Sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoate|sodium 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoate|Staple|Staple 85SP|Staple LX|UNII-5M13LUJ9WY https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032673
ERPathway2016 ERPathway2016_1234 Pyrithiobac sodium 123343-16-8 DTXSID8032673 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].COC1=CC(OC)=NC(SC2=C(C([O-])=O)C(Cl)=CC=C2)=N1 Pyrithiobac sodium 123343-16-8|Pyrithiobac sodium|Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt|Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt (1:1)|DPX-PE 350|DPX-PE350|DPX-PE350-045|DPX-PE350-4|EC No.: 602-931-3|KIH 2031|Pyrithiobac sodium|Pyrithiobac sodium salt|Pyrithiobac-sodium|Sodium 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio0benzoate|Sodium 2-chloro-6-((4,6-dimethoxypyrimidin-2-yl)thio)benzoate|Sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoate|sodium 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoate|Staple|Staple 85SP|Staple LX|UNII-5M13LUJ9WY https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032673
ERPathway2016 ERPathway2016_1234 Pyrithiobac sodium 123343-16-8 DTXSID8032673 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].COC1=CC(OC)=NC(SC2=C(C([O-])=O)C(Cl)=CC=C2)=N1 Pyrithiobac sodium 123343-16-8|Pyrithiobac sodium|Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt|Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt (1:1)|DPX-PE 350|DPX-PE350|DPX-PE350-045|DPX-PE350-4|EC No.: 602-931-3|KIH 2031|Pyrithiobac sodium|Pyrithiobac sodium salt|Pyrithiobac-sodium|Sodium 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio0benzoate|Sodium 2-chloro-6-((4,6-dimethoxypyrimidin-2-yl)thio)benzoate|Sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoate|sodium 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoate|Staple|Staple 85SP|Staple LX|UNII-5M13LUJ9WY https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032673
ERPathway2016 ERPathway2016_1234 Pyrithiobac sodium 123343-16-8 DTXSID8032673 ER Pathway Model, Agonist Call Inactive Unitless [Na+].COC1=CC(OC)=NC(SC2=C(C([O-])=O)C(Cl)=CC=C2)=N1 Pyrithiobac sodium 123343-16-8|Pyrithiobac sodium|Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt|Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt (1:1)|DPX-PE 350|DPX-PE350|DPX-PE350-045|DPX-PE350-4|EC No.: 602-931-3|KIH 2031|Pyrithiobac sodium|Pyrithiobac sodium salt|Pyrithiobac-sodium|Sodium 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio0benzoate|Sodium 2-chloro-6-((4,6-dimethoxypyrimidin-2-yl)thio)benzoate|Sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoate|sodium 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoate|Staple|Staple 85SP|Staple LX|UNII-5M13LUJ9WY https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032673
ERPathway2016 ERPathway2016_1234 Pyrithiobac sodium 123343-16-8 DTXSID8032673 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].COC1=CC(OC)=NC(SC2=C(C([O-])=O)C(Cl)=CC=C2)=N1 Pyrithiobac sodium 123343-16-8|Pyrithiobac sodium|Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt|Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt (1:1)|DPX-PE 350|DPX-PE350|DPX-PE350-045|DPX-PE350-4|EC No.: 602-931-3|KIH 2031|Pyrithiobac sodium|Pyrithiobac sodium salt|Pyrithiobac-sodium|Sodium 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio0benzoate|Sodium 2-chloro-6-((4,6-dimethoxypyrimidin-2-yl)thio)benzoate|Sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoate|sodium 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoate|Staple|Staple 85SP|Staple LX|UNII-5M13LUJ9WY https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032673
ARPathway2016 ARPathway2016_637 Quercetin 117-39-5 DTXSID4021218 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1 Quercetin 117-39-5|Quercetin|2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one|2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-benzopyran-4-one|3,3',4',5,7-pentahidroxiflavona|3,3',4',5,7-Pentahydroxyflavon|3,3',4',5,7-Pentahydroxyflavone|3,4',5,5',7-Pentahydroxy-Flavone|3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on|3,5,7,3',4'-Pentahydroxyflavone|3',4',5,7-Tetrahydroxyflavan-3-ol|3',4',5,7-Tetrahydroxyflavon-3-ol|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-|5-18-05-00494|BENZOPYRAN(4H-1)-4-ONE, 2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-|BRN 0317313|C.I. Natural Yellow 10|CI Natural Yellow 10|Cyanidelonon 1522|EINECS 204-187-1|Flavin meletin|Flavone, 3,3',4',5,7-pentahydroxy-|Flavone, 3,4',5,5',7-pentahydroxy-|Korvitin|Kvercetin|Meletin|NSC 57655|NSC 9219|Quercetin content|Quercetin dihydrate|Quercetine|Quercetol|Quercitin|Quertin|Quertine|Sophoretin|T-Gelb bzw. grun 1|UNII-9IKM0I5T1E|Xanthaurine|73123-10-1|74893-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021218 https://doi.org/10.22427/NTP-DATA-DTXSID4021218
ARPathway2016 ARPathway2016_637 Quercetin 117-39-5 DTXSID4021218 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1 Quercetin 117-39-5|Quercetin|2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one|2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-benzopyran-4-one|3,3',4',5,7-pentahidroxiflavona|3,3',4',5,7-Pentahydroxyflavon|3,3',4',5,7-Pentahydroxyflavone|3,4',5,5',7-Pentahydroxy-Flavone|3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on|3,5,7,3',4'-Pentahydroxyflavone|3',4',5,7-Tetrahydroxyflavan-3-ol|3',4',5,7-Tetrahydroxyflavon-3-ol|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-|5-18-05-00494|BENZOPYRAN(4H-1)-4-ONE, 2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-|BRN 0317313|C.I. Natural Yellow 10|CI Natural Yellow 10|Cyanidelonon 1522|EINECS 204-187-1|Flavin meletin|Flavone, 3,3',4',5,7-pentahydroxy-|Flavone, 3,4',5,5',7-pentahydroxy-|Korvitin|Kvercetin|Meletin|NSC 57655|NSC 9219|Quercetin content|Quercetin dihydrate|Quercetine|Quercetol|Quercitin|Quertin|Quertine|Sophoretin|T-Gelb bzw. grun 1|UNII-9IKM0I5T1E|Xanthaurine|73123-10-1|74893-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021218 https://doi.org/10.22427/NTP-DATA-DTXSID4021218
ARPathway2016 ARPathway2016_637 Quercetin 117-39-5 DTXSID4021218 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1 Quercetin 117-39-5|Quercetin|2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one|2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-benzopyran-4-one|3,3',4',5,7-pentahidroxiflavona|3,3',4',5,7-Pentahydroxyflavon|3,3',4',5,7-Pentahydroxyflavone|3,4',5,5',7-Pentahydroxy-Flavone|3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on|3,5,7,3',4'-Pentahydroxyflavone|3',4',5,7-Tetrahydroxyflavan-3-ol|3',4',5,7-Tetrahydroxyflavon-3-ol|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-|5-18-05-00494|BENZOPYRAN(4H-1)-4-ONE, 2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-|BRN 0317313|C.I. Natural Yellow 10|CI Natural Yellow 10|Cyanidelonon 1522|EINECS 204-187-1|Flavin meletin|Flavone, 3,3',4',5,7-pentahydroxy-|Flavone, 3,4',5,5',7-pentahydroxy-|Korvitin|Kvercetin|Meletin|NSC 57655|NSC 9219|Quercetin content|Quercetin dihydrate|Quercetine|Quercetol|Quercitin|Quertin|Quertine|Sophoretin|T-Gelb bzw. grun 1|UNII-9IKM0I5T1E|Xanthaurine|73123-10-1|74893-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021218 https://doi.org/10.22427/NTP-DATA-DTXSID4021218
ARPathway2016 ARPathway2016_637 Quercetin 117-39-5 DTXSID4021218 True antagonist shift (No hit/Hit) 2.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1 Quercetin 117-39-5|Quercetin|2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one|2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-benzopyran-4-one|3,3',4',5,7-pentahidroxiflavona|3,3',4',5,7-Pentahydroxyflavon|3,3',4',5,7-Pentahydroxyflavone|3,4',5,5',7-Pentahydroxy-Flavone|3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on|3,5,7,3',4'-Pentahydroxyflavone|3',4',5,7-Tetrahydroxyflavan-3-ol|3',4',5,7-Tetrahydroxyflavon-3-ol|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-|5-18-05-00494|BENZOPYRAN(4H-1)-4-ONE, 2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-|BRN 0317313|C.I. Natural Yellow 10|CI Natural Yellow 10|Cyanidelonon 1522|EINECS 204-187-1|Flavin meletin|Flavone, 3,3',4',5,7-pentahydroxy-|Flavone, 3,4',5,5',7-pentahydroxy-|Korvitin|Kvercetin|Meletin|NSC 57655|NSC 9219|Quercetin content|Quercetin dihydrate|Quercetine|Quercetol|Quercitin|Quertin|Quertine|Sophoretin|T-Gelb bzw. grun 1|UNII-9IKM0I5T1E|Xanthaurine|73123-10-1|74893-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021218 https://doi.org/10.22427/NTP-DATA-DTXSID4021218
ERPathway2016 ERPathway2016_232 Quercetin 117-39-5 DTXSID4021218 Agonist ER Pathway Model, Antagonist AC50 18.0041706558517 uM OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1 Quercetin 117-39-5|Quercetin|2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one|2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-benzopyran-4-one|3,3',4',5,7-pentahidroxiflavona|3,3',4',5,7-Pentahydroxyflavon|3,3',4',5,7-Pentahydroxyflavone|3,4',5,5',7-Pentahydroxy-Flavone|3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on|3,5,7,3',4'-Pentahydroxyflavone|3',4',5,7-Tetrahydroxyflavan-3-ol|3',4',5,7-Tetrahydroxyflavon-3-ol|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-|5-18-05-00494|BENZOPYRAN(4H-1)-4-ONE, 2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-|BRN 0317313|C.I. Natural Yellow 10|CI Natural Yellow 10|Cyanidelonon 1522|EINECS 204-187-1|Flavin meletin|Flavone, 3,3',4',5,7-pentahydroxy-|Flavone, 3,4',5,5',7-pentahydroxy-|Korvitin|Kvercetin|Meletin|NSC 57655|NSC 9219|Quercetin content|Quercetin dihydrate|Quercetine|Quercetol|Quercitin|Quertin|Quertine|Sophoretin|T-Gelb bzw. grun 1|UNII-9IKM0I5T1E|Xanthaurine|73123-10-1|74893-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021218 https://doi.org/10.22427/NTP-DATA-DTXSID4021218
ERPathway2016 ERPathway2016_232 Quercetin 117-39-5 DTXSID4021218 Agonist ER Pathway Model, Antagonist ACC 14.525819346872 uM OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1 Quercetin 117-39-5|Quercetin|2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one|2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-benzopyran-4-one|3,3',4',5,7-pentahidroxiflavona|3,3',4',5,7-Pentahydroxyflavon|3,3',4',5,7-Pentahydroxyflavone|3,4',5,5',7-Pentahydroxy-Flavone|3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on|3,5,7,3',4'-Pentahydroxyflavone|3',4',5,7-Tetrahydroxyflavan-3-ol|3',4',5,7-Tetrahydroxyflavon-3-ol|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-|5-18-05-00494|BENZOPYRAN(4H-1)-4-ONE, 2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-|BRN 0317313|C.I. Natural Yellow 10|CI Natural Yellow 10|Cyanidelonon 1522|EINECS 204-187-1|Flavin meletin|Flavone, 3,3',4',5,7-pentahydroxy-|Flavone, 3,4',5,5',7-pentahydroxy-|Korvitin|Kvercetin|Meletin|NSC 57655|NSC 9219|Quercetin content|Quercetin dihydrate|Quercetine|Quercetol|Quercitin|Quertin|Quertine|Sophoretin|T-Gelb bzw. grun 1|UNII-9IKM0I5T1E|Xanthaurine|73123-10-1|74893-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021218 https://doi.org/10.22427/NTP-DATA-DTXSID4021218
ERPathway2016 ERPathway2016_232 Quercetin 117-39-5 DTXSID4021218 Agonist ER Pathway Model, Agonist Model Score 0.101 Unitless OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1 Quercetin 117-39-5|Quercetin|2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one|2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-benzopyran-4-one|3,3',4',5,7-pentahidroxiflavona|3,3',4',5,7-Pentahydroxyflavon|3,3',4',5,7-Pentahydroxyflavone|3,4',5,5',7-Pentahydroxy-Flavone|3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on|3,5,7,3',4'-Pentahydroxyflavone|3',4',5,7-Tetrahydroxyflavan-3-ol|3',4',5,7-Tetrahydroxyflavon-3-ol|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-|5-18-05-00494|BENZOPYRAN(4H-1)-4-ONE, 2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-|BRN 0317313|C.I. Natural Yellow 10|CI Natural Yellow 10|Cyanidelonon 1522|EINECS 204-187-1|Flavin meletin|Flavone, 3,3',4',5,7-pentahydroxy-|Flavone, 3,4',5,5',7-pentahydroxy-|Korvitin|Kvercetin|Meletin|NSC 57655|NSC 9219|Quercetin content|Quercetin dihydrate|Quercetine|Quercetol|Quercitin|Quertin|Quertine|Sophoretin|T-Gelb bzw. grun 1|UNII-9IKM0I5T1E|Xanthaurine|73123-10-1|74893-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021218 https://doi.org/10.22427/NTP-DATA-DTXSID4021218
ERPathway2016 ERPathway2016_232 Quercetin 117-39-5 DTXSID4021218 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1 Quercetin 117-39-5|Quercetin|2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one|2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-benzopyran-4-one|3,3',4',5,7-pentahidroxiflavona|3,3',4',5,7-Pentahydroxyflavon|3,3',4',5,7-Pentahydroxyflavone|3,4',5,5',7-Pentahydroxy-Flavone|3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on|3,5,7,3',4'-Pentahydroxyflavone|3',4',5,7-Tetrahydroxyflavan-3-ol|3',4',5,7-Tetrahydroxyflavon-3-ol|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-|5-18-05-00494|BENZOPYRAN(4H-1)-4-ONE, 2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-|BRN 0317313|C.I. Natural Yellow 10|CI Natural Yellow 10|Cyanidelonon 1522|EINECS 204-187-1|Flavin meletin|Flavone, 3,3',4',5,7-pentahydroxy-|Flavone, 3,4',5,5',7-pentahydroxy-|Korvitin|Kvercetin|Meletin|NSC 57655|NSC 9219|Quercetin content|Quercetin dihydrate|Quercetine|Quercetol|Quercitin|Quertin|Quertine|Sophoretin|T-Gelb bzw. grun 1|UNII-9IKM0I5T1E|Xanthaurine|73123-10-1|74893-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021218 https://doi.org/10.22427/NTP-DATA-DTXSID4021218
ERPathway2016 ERPathway2016_232 Quercetin 117-39-5 DTXSID4021218 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1 Quercetin 117-39-5|Quercetin|2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one|2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-benzopyran-4-one|3,3',4',5,7-pentahidroxiflavona|3,3',4',5,7-Pentahydroxyflavon|3,3',4',5,7-Pentahydroxyflavone|3,4',5,5',7-Pentahydroxy-Flavone|3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on|3,5,7,3',4'-Pentahydroxyflavone|3',4',5,7-Tetrahydroxyflavan-3-ol|3',4',5,7-Tetrahydroxyflavon-3-ol|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-|5-18-05-00494|BENZOPYRAN(4H-1)-4-ONE, 2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-|BRN 0317313|C.I. Natural Yellow 10|CI Natural Yellow 10|Cyanidelonon 1522|EINECS 204-187-1|Flavin meletin|Flavone, 3,3',4',5,7-pentahydroxy-|Flavone, 3,4',5,5',7-pentahydroxy-|Korvitin|Kvercetin|Meletin|NSC 57655|NSC 9219|Quercetin content|Quercetin dihydrate|Quercetine|Quercetol|Quercitin|Quertin|Quertine|Sophoretin|T-Gelb bzw. grun 1|UNII-9IKM0I5T1E|Xanthaurine|73123-10-1|74893-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021218 https://doi.org/10.22427/NTP-DATA-DTXSID4021218
ERPathway2016 ERPathway2016_232 Quercetin 117-39-5 DTXSID4021218 Agonist ER Pathway Model, Antagonist Call Active Unitless OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1 Quercetin 117-39-5|Quercetin|2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one|2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-benzopyran-4-one|3,3',4',5,7-pentahidroxiflavona|3,3',4',5,7-Pentahydroxyflavon|3,3',4',5,7-Pentahydroxyflavone|3,4',5,5',7-Pentahydroxy-Flavone|3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on|3,5,7,3',4'-Pentahydroxyflavone|3',4',5,7-Tetrahydroxyflavan-3-ol|3',4',5,7-Tetrahydroxyflavon-3-ol|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-|5-18-05-00494|BENZOPYRAN(4H-1)-4-ONE, 2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-|BRN 0317313|C.I. Natural Yellow 10|CI Natural Yellow 10|Cyanidelonon 1522|EINECS 204-187-1|Flavin meletin|Flavone, 3,3',4',5,7-pentahydroxy-|Flavone, 3,4',5,5',7-pentahydroxy-|Korvitin|Kvercetin|Meletin|NSC 57655|NSC 9219|Quercetin content|Quercetin dihydrate|Quercetine|Quercetol|Quercitin|Quertin|Quertine|Sophoretin|T-Gelb bzw. grun 1|UNII-9IKM0I5T1E|Xanthaurine|73123-10-1|74893-81-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021218 https://doi.org/10.22427/NTP-DATA-DTXSID4021218
ARPathway2016 ARPathway2016_1637 Quinclorac 84087-01-4 DTXSID6032641 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=C(Cl)C=CC2=CC(Cl)=CN=C12 Quinclorac 84087-01-4|Quinclorac|3,7 Dichloroquinoline-8-carboxylic acid|3,7-Dichloro-8-quinoline carboxylic acid|3,7-dichloro-8-quinolinecarboxylic acid|3,7-Dichloroquinoline-8-carboxylic acid|8-Quinolinecarboxylic acid, 3,7-dichloro-|Accord 75DF|BAS 514|BAS 514 00H|BAS 514 H|Drive|EPA Pesticide Chemical Code 128974|Facet|Facet LA|Paramount|Parmount 75WG|PC 128974|PC Code 128974|Quinclorac tech|QUINOLINE-8-CARBOXYLIC ACID, 3,7-DICHLORO-|UNII-3J06V625EE|113875-40-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032641
ARPathway2016 ARPathway2016_1637 Quinclorac 84087-01-4 DTXSID6032641 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=C(Cl)C=CC2=CC(Cl)=CN=C12 Quinclorac 84087-01-4|Quinclorac|3,7 Dichloroquinoline-8-carboxylic acid|3,7-Dichloro-8-quinoline carboxylic acid|3,7-dichloro-8-quinolinecarboxylic acid|3,7-Dichloroquinoline-8-carboxylic acid|8-Quinolinecarboxylic acid, 3,7-dichloro-|Accord 75DF|BAS 514|BAS 514 00H|BAS 514 H|Drive|EPA Pesticide Chemical Code 128974|Facet|Facet LA|Paramount|Parmount 75WG|PC 128974|PC Code 128974|Quinclorac tech|QUINOLINE-8-CARBOXYLIC ACID, 3,7-DICHLORO-|UNII-3J06V625EE|113875-40-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032641
ARPathway2016 ARPathway2016_1637 Quinclorac 84087-01-4 DTXSID6032641 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=C(Cl)C=CC2=CC(Cl)=CN=C12 Quinclorac 84087-01-4|Quinclorac|3,7 Dichloroquinoline-8-carboxylic acid|3,7-Dichloro-8-quinoline carboxylic acid|3,7-dichloro-8-quinolinecarboxylic acid|3,7-Dichloroquinoline-8-carboxylic acid|8-Quinolinecarboxylic acid, 3,7-dichloro-|Accord 75DF|BAS 514|BAS 514 00H|BAS 514 H|Drive|EPA Pesticide Chemical Code 128974|Facet|Facet LA|Paramount|Parmount 75WG|PC 128974|PC Code 128974|Quinclorac tech|QUINOLINE-8-CARBOXYLIC ACID, 3,7-DICHLORO-|UNII-3J06V625EE|113875-40-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032641
ARPathway2016 ARPathway2016_1637 Quinclorac 84087-01-4 DTXSID6032641 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=C(Cl)C=CC2=CC(Cl)=CN=C12 Quinclorac 84087-01-4|Quinclorac|3,7 Dichloroquinoline-8-carboxylic acid|3,7-Dichloro-8-quinoline carboxylic acid|3,7-dichloro-8-quinolinecarboxylic acid|3,7-Dichloroquinoline-8-carboxylic acid|8-Quinolinecarboxylic acid, 3,7-dichloro-|Accord 75DF|BAS 514|BAS 514 00H|BAS 514 H|Drive|EPA Pesticide Chemical Code 128974|Facet|Facet LA|Paramount|Parmount 75WG|PC 128974|PC Code 128974|Quinclorac tech|QUINOLINE-8-CARBOXYLIC ACID, 3,7-DICHLORO-|UNII-3J06V625EE|113875-40-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032641
ERPathway2016 ERPathway2016_1700 Quinclorac 84087-01-4 DTXSID6032641 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=C(Cl)C=CC2=CC(Cl)=CN=C12 Quinclorac 84087-01-4|Quinclorac|3,7 Dichloroquinoline-8-carboxylic acid|3,7-Dichloro-8-quinoline carboxylic acid|3,7-dichloro-8-quinolinecarboxylic acid|3,7-Dichloroquinoline-8-carboxylic acid|8-Quinolinecarboxylic acid, 3,7-dichloro-|Accord 75DF|BAS 514|BAS 514 00H|BAS 514 H|Drive|EPA Pesticide Chemical Code 128974|Facet|Facet LA|Paramount|Parmount 75WG|PC 128974|PC Code 128974|Quinclorac tech|QUINOLINE-8-CARBOXYLIC ACID, 3,7-DICHLORO-|UNII-3J06V625EE|113875-40-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032641
ERPathway2016 ERPathway2016_1700 Quinclorac 84087-01-4 DTXSID6032641 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=C(Cl)C=CC2=CC(Cl)=CN=C12 Quinclorac 84087-01-4|Quinclorac|3,7 Dichloroquinoline-8-carboxylic acid|3,7-Dichloro-8-quinoline carboxylic acid|3,7-dichloro-8-quinolinecarboxylic acid|3,7-Dichloroquinoline-8-carboxylic acid|8-Quinolinecarboxylic acid, 3,7-dichloro-|Accord 75DF|BAS 514|BAS 514 00H|BAS 514 H|Drive|EPA Pesticide Chemical Code 128974|Facet|Facet LA|Paramount|Parmount 75WG|PC 128974|PC Code 128974|Quinclorac tech|QUINOLINE-8-CARBOXYLIC ACID, 3,7-DICHLORO-|UNII-3J06V625EE|113875-40-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032641
ERPathway2016 ERPathway2016_1700 Quinclorac 84087-01-4 DTXSID6032641 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=C(Cl)C=CC2=CC(Cl)=CN=C12 Quinclorac 84087-01-4|Quinclorac|3,7 Dichloroquinoline-8-carboxylic acid|3,7-Dichloro-8-quinoline carboxylic acid|3,7-dichloro-8-quinolinecarboxylic acid|3,7-Dichloroquinoline-8-carboxylic acid|8-Quinolinecarboxylic acid, 3,7-dichloro-|Accord 75DF|BAS 514|BAS 514 00H|BAS 514 H|Drive|EPA Pesticide Chemical Code 128974|Facet|Facet LA|Paramount|Parmount 75WG|PC 128974|PC Code 128974|Quinclorac tech|QUINOLINE-8-CARBOXYLIC ACID, 3,7-DICHLORO-|UNII-3J06V625EE|113875-40-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032641
ERPathway2016 ERPathway2016_1700 Quinclorac 84087-01-4 DTXSID6032641 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=C(Cl)C=CC2=CC(Cl)=CN=C12 Quinclorac 84087-01-4|Quinclorac|3,7 Dichloroquinoline-8-carboxylic acid|3,7-Dichloro-8-quinoline carboxylic acid|3,7-dichloro-8-quinolinecarboxylic acid|3,7-Dichloroquinoline-8-carboxylic acid|8-Quinolinecarboxylic acid, 3,7-dichloro-|Accord 75DF|BAS 514|BAS 514 00H|BAS 514 H|Drive|EPA Pesticide Chemical Code 128974|Facet|Facet LA|Paramount|Parmount 75WG|PC 128974|PC Code 128974|Quinclorac tech|QUINOLINE-8-CARBOXYLIC ACID, 3,7-DICHLORO-|UNII-3J06V625EE|113875-40-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032641
ARPathway2016 ARPathway2016_1708 Quinoline 91-22-5 DTXSID1021798 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=C(C=C1)N=CC=C2 Quinoline 91-22-5|Quinoline|1-Azanaphthalene|1-Azonaphthalene|1-Benzazene|1-Benzazine|2,3-Benzopyridine|B 500|Benzo(b)pyridine|Benzo[b]pyridine|Benzopyridine|Chinoleine|Chinolin|Chinoline|EINECS 202-051-6|FEMA No. 3470|Leucol|Leucoline|Leukol|NSC 3396|quinoleine|Quinolin|quinolina|UN 2656 (DOT)|UNII-E66400VT9R|USAF EK-218|20214-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021798 https://doi.org/10.22427/NTP-DATA-DTXSID1021798
ARPathway2016 ARPathway2016_1708 Quinoline 91-22-5 DTXSID1021798 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1=CC2=C(C=C1)N=CC=C2 Quinoline 91-22-5|Quinoline|1-Azanaphthalene|1-Azonaphthalene|1-Benzazene|1-Benzazine|2,3-Benzopyridine|B 500|Benzo(b)pyridine|Benzo[b]pyridine|Benzopyridine|Chinoleine|Chinolin|Chinoline|EINECS 202-051-6|FEMA No. 3470|Leucol|Leucoline|Leukol|NSC 3396|quinoleine|Quinolin|quinolina|UN 2656 (DOT)|UNII-E66400VT9R|USAF EK-218|20214-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021798 https://doi.org/10.22427/NTP-DATA-DTXSID1021798
ARPathway2016 ARPathway2016_1708 Quinoline 91-22-5 DTXSID1021798 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1=CC2=C(C=C1)N=CC=C2 Quinoline 91-22-5|Quinoline|1-Azanaphthalene|1-Azonaphthalene|1-Benzazene|1-Benzazine|2,3-Benzopyridine|B 500|Benzo(b)pyridine|Benzo[b]pyridine|Benzopyridine|Chinoleine|Chinolin|Chinoline|EINECS 202-051-6|FEMA No. 3470|Leucol|Leucoline|Leukol|NSC 3396|quinoleine|Quinolin|quinolina|UN 2656 (DOT)|UNII-E66400VT9R|USAF EK-218|20214-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021798 https://doi.org/10.22427/NTP-DATA-DTXSID1021798
ARPathway2016 ARPathway2016_1708 Quinoline 91-22-5 DTXSID1021798 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1=CC2=C(C=C1)N=CC=C2 Quinoline 91-22-5|Quinoline|1-Azanaphthalene|1-Azonaphthalene|1-Benzazene|1-Benzazine|2,3-Benzopyridine|B 500|Benzo(b)pyridine|Benzo[b]pyridine|Benzopyridine|Chinoleine|Chinolin|Chinoline|EINECS 202-051-6|FEMA No. 3470|Leucol|Leucoline|Leukol|NSC 3396|quinoleine|Quinolin|quinolina|UN 2656 (DOT)|UNII-E66400VT9R|USAF EK-218|20214-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021798 https://doi.org/10.22427/NTP-DATA-DTXSID1021798
ERPathway2016 ERPathway2016_1738 Quinoline 91-22-5 DTXSID1021798 ER Pathway Model, Agonist Model Score 0 Unitless C1=CC2=C(C=C1)N=CC=C2 Quinoline 91-22-5|Quinoline|1-Azanaphthalene|1-Azonaphthalene|1-Benzazene|1-Benzazine|2,3-Benzopyridine|B 500|Benzo(b)pyridine|Benzo[b]pyridine|Benzopyridine|Chinoleine|Chinolin|Chinoline|EINECS 202-051-6|FEMA No. 3470|Leucol|Leucoline|Leukol|NSC 3396|quinoleine|Quinolin|quinolina|UN 2656 (DOT)|UNII-E66400VT9R|USAF EK-218|20214-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021798 https://doi.org/10.22427/NTP-DATA-DTXSID1021798
ERPathway2016 ERPathway2016_1738 Quinoline 91-22-5 DTXSID1021798 ER Pathway Model, Antagonist Model Score 0 Unitless C1=CC2=C(C=C1)N=CC=C2 Quinoline 91-22-5|Quinoline|1-Azanaphthalene|1-Azonaphthalene|1-Benzazene|1-Benzazine|2,3-Benzopyridine|B 500|Benzo(b)pyridine|Benzo[b]pyridine|Benzopyridine|Chinoleine|Chinolin|Chinoline|EINECS 202-051-6|FEMA No. 3470|Leucol|Leucoline|Leukol|NSC 3396|quinoleine|Quinolin|quinolina|UN 2656 (DOT)|UNII-E66400VT9R|USAF EK-218|20214-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021798 https://doi.org/10.22427/NTP-DATA-DTXSID1021798
ERPathway2016 ERPathway2016_1738 Quinoline 91-22-5 DTXSID1021798 ER Pathway Model, Agonist Call Inactive Unitless C1=CC2=C(C=C1)N=CC=C2 Quinoline 91-22-5|Quinoline|1-Azanaphthalene|1-Azonaphthalene|1-Benzazene|1-Benzazine|2,3-Benzopyridine|B 500|Benzo(b)pyridine|Benzo[b]pyridine|Benzopyridine|Chinoleine|Chinolin|Chinoline|EINECS 202-051-6|FEMA No. 3470|Leucol|Leucoline|Leukol|NSC 3396|quinoleine|Quinolin|quinolina|UN 2656 (DOT)|UNII-E66400VT9R|USAF EK-218|20214-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021798 https://doi.org/10.22427/NTP-DATA-DTXSID1021798
ERPathway2016 ERPathway2016_1738 Quinoline 91-22-5 DTXSID1021798 ER Pathway Model, Antagonist Call Inactive Unitless C1=CC2=C(C=C1)N=CC=C2 Quinoline 91-22-5|Quinoline|1-Azanaphthalene|1-Azonaphthalene|1-Benzazene|1-Benzazine|2,3-Benzopyridine|B 500|Benzo(b)pyridine|Benzo[b]pyridine|Benzopyridine|Chinoleine|Chinolin|Chinoline|EINECS 202-051-6|FEMA No. 3470|Leucol|Leucoline|Leukol|NSC 3396|quinoleine|Quinolin|quinolina|UN 2656 (DOT)|UNII-E66400VT9R|USAF EK-218|20214-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021798 https://doi.org/10.22427/NTP-DATA-DTXSID1021798
ARPathway2016 ARPathway2016_43 Quinoxyfen 124495-18-7 DTXSID2034881 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist AC50 46.01642404 uM FC1=CC=C(OC2=CC=NC3=CC(Cl)=CC(Cl)=C23)C=C1 Quinoxyfen 124495-18-7|Quinoxyfen|5,7-Dichloro-4-(4-fluorophenoxy)quinoline|DE 795|HSDB 7946|Quinoline, 5,7-dichloro-4-(4-fluorophenoxy)-|UNII-PPC78J1VCW|1135442-83-9|203063-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034881
ARPathway2016 ARPathway2016_43 Quinoxyfen 124495-18-7 DTXSID2034881 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist ACC 44.36319802 uM FC1=CC=C(OC2=CC=NC3=CC(Cl)=CC(Cl)=C23)C=C1 Quinoxyfen 124495-18-7|Quinoxyfen|5,7-Dichloro-4-(4-fluorophenoxy)quinoline|DE 795|HSDB 7946|Quinoline, 5,7-dichloro-4-(4-fluorophenoxy)-|UNII-PPC78J1VCW|1135442-83-9|203063-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034881
ARPathway2016 ARPathway2016_43 Quinoxyfen 124495-18-7 DTXSID2034881 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0.0325 Unitless FC1=CC=C(OC2=CC=NC3=CC(Cl)=CC(Cl)=C23)C=C1 Quinoxyfen 124495-18-7|Quinoxyfen|5,7-Dichloro-4-(4-fluorophenoxy)quinoline|DE 795|HSDB 7946|Quinoline, 5,7-dichloro-4-(4-fluorophenoxy)-|UNII-PPC78J1VCW|1135442-83-9|203063-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034881
ARPathway2016 ARPathway2016_43 Quinoxyfen 124495-18-7 DTXSID2034881 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless FC1=CC=C(OC2=CC=NC3=CC(Cl)=CC(Cl)=C23)C=C1 Quinoxyfen 124495-18-7|Quinoxyfen|5,7-Dichloro-4-(4-fluorophenoxy)quinoline|DE 795|HSDB 7946|Quinoline, 5,7-dichloro-4-(4-fluorophenoxy)-|UNII-PPC78J1VCW|1135442-83-9|203063-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034881
ARPathway2016 ARPathway2016_43 Quinoxyfen 124495-18-7 DTXSID2034881 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Active Unitless FC1=CC=C(OC2=CC=NC3=CC(Cl)=CC(Cl)=C23)C=C1 Quinoxyfen 124495-18-7|Quinoxyfen|5,7-Dichloro-4-(4-fluorophenoxy)quinoline|DE 795|HSDB 7946|Quinoline, 5,7-dichloro-4-(4-fluorophenoxy)-|UNII-PPC78J1VCW|1135442-83-9|203063-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034881
ARPathway2016 ARPathway2016_43 Quinoxyfen 124495-18-7 DTXSID2034881 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless FC1=CC=C(OC2=CC=NC3=CC(Cl)=CC(Cl)=C23)C=C1 Quinoxyfen 124495-18-7|Quinoxyfen|5,7-Dichloro-4-(4-fluorophenoxy)quinoline|DE 795|HSDB 7946|Quinoline, 5,7-dichloro-4-(4-fluorophenoxy)-|UNII-PPC78J1VCW|1135442-83-9|203063-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034881
ERPathway2016 ERPathway2016_972 Quinoxyfen 124495-18-7 DTXSID2034881 ER Pathway Model, Agonist Model Score 0 Unitless FC1=CC=C(OC2=CC=NC3=CC(Cl)=CC(Cl)=C23)C=C1 Quinoxyfen 124495-18-7|Quinoxyfen|5,7-Dichloro-4-(4-fluorophenoxy)quinoline|DE 795|HSDB 7946|Quinoline, 5,7-dichloro-4-(4-fluorophenoxy)-|UNII-PPC78J1VCW|1135442-83-9|203063-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034881
ERPathway2016 ERPathway2016_972 Quinoxyfen 124495-18-7 DTXSID2034881 ER Pathway Model, Antagonist Model Score 0 Unitless FC1=CC=C(OC2=CC=NC3=CC(Cl)=CC(Cl)=C23)C=C1 Quinoxyfen 124495-18-7|Quinoxyfen|5,7-Dichloro-4-(4-fluorophenoxy)quinoline|DE 795|HSDB 7946|Quinoline, 5,7-dichloro-4-(4-fluorophenoxy)-|UNII-PPC78J1VCW|1135442-83-9|203063-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034881
ERPathway2016 ERPathway2016_972 Quinoxyfen 124495-18-7 DTXSID2034881 ER Pathway Model, Agonist Call Inactive Unitless FC1=CC=C(OC2=CC=NC3=CC(Cl)=CC(Cl)=C23)C=C1 Quinoxyfen 124495-18-7|Quinoxyfen|5,7-Dichloro-4-(4-fluorophenoxy)quinoline|DE 795|HSDB 7946|Quinoline, 5,7-dichloro-4-(4-fluorophenoxy)-|UNII-PPC78J1VCW|1135442-83-9|203063-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034881
ERPathway2016 ERPathway2016_972 Quinoxyfen 124495-18-7 DTXSID2034881 ER Pathway Model, Antagonist Call Inactive Unitless FC1=CC=C(OC2=CC=NC3=CC(Cl)=CC(Cl)=C23)C=C1 Quinoxyfen 124495-18-7|Quinoxyfen|5,7-Dichloro-4-(4-fluorophenoxy)quinoline|DE 795|HSDB 7946|Quinoline, 5,7-dichloro-4-(4-fluorophenoxy)-|UNII-PPC78J1VCW|1135442-83-9|203063-70-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034881
ARPathway2016 ARPathway2016_1540 Quizalofop-ethyl 76578-14-8 DTXSID9023889 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C(C)OC1=CC=C(OC2=CN=C3C=C(Cl)C=CC3=N2)C=C1 Quizalofop-ethyl 76578-14-8|Quizalofop-ethyl|2-(4-((6-Chloro-2-quinoxalinyl)oxy)phenoxy)propanoic acid ethyl ester|616-351-3|Assure|Caswell No. 215D|DPX 6202|DPX-Y 6202|DPX-Y 6202-3|EC No.: 616-351-3|EPA Pesticide Chemical Code 128711|ethyl (RS)-2-(4-(6-chloroquinoxalin-2-yloxy)phenoxy)propionate|Ethyl 2-(4-(6-chloro-2-quinoxalinyloxy)phenoxy)propanoate|Ethyl 2-[4-(6-chloro-2-quinoxalyloxy)phenoxy]propionate|Ethyl 2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionic acid|ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate|Miura|NC 302|NCI 96683|PC Code 128711|Propanoic acid, 2- [4- [(6- chloro- 2- quinoxalinyl) oxy] phenoxy] - , ethyl ester|Quinofop-ethyl|Quizalofop-p-ethyl|Targa|UNII-7280704RL4|Xylofop-ethyl|100760-10-9|89468-49-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023889
ARPathway2016 ARPathway2016_1540 Quizalofop-ethyl 76578-14-8 DTXSID9023889 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C(C)OC1=CC=C(OC2=CN=C3C=C(Cl)C=CC3=N2)C=C1 Quizalofop-ethyl 76578-14-8|Quizalofop-ethyl|2-(4-((6-Chloro-2-quinoxalinyl)oxy)phenoxy)propanoic acid ethyl ester|616-351-3|Assure|Caswell No. 215D|DPX 6202|DPX-Y 6202|DPX-Y 6202-3|EC No.: 616-351-3|EPA Pesticide Chemical Code 128711|ethyl (RS)-2-(4-(6-chloroquinoxalin-2-yloxy)phenoxy)propionate|Ethyl 2-(4-(6-chloro-2-quinoxalinyloxy)phenoxy)propanoate|Ethyl 2-[4-(6-chloro-2-quinoxalyloxy)phenoxy]propionate|Ethyl 2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionic acid|ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate|Miura|NC 302|NCI 96683|PC Code 128711|Propanoic acid, 2- [4- [(6- chloro- 2- quinoxalinyl) oxy] phenoxy] - , ethyl ester|Quinofop-ethyl|Quizalofop-p-ethyl|Targa|UNII-7280704RL4|Xylofop-ethyl|100760-10-9|89468-49-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023889
ARPathway2016 ARPathway2016_1540 Quizalofop-ethyl 76578-14-8 DTXSID9023889 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C(C)OC1=CC=C(OC2=CN=C3C=C(Cl)C=CC3=N2)C=C1 Quizalofop-ethyl 76578-14-8|Quizalofop-ethyl|2-(4-((6-Chloro-2-quinoxalinyl)oxy)phenoxy)propanoic acid ethyl ester|616-351-3|Assure|Caswell No. 215D|DPX 6202|DPX-Y 6202|DPX-Y 6202-3|EC No.: 616-351-3|EPA Pesticide Chemical Code 128711|ethyl (RS)-2-(4-(6-chloroquinoxalin-2-yloxy)phenoxy)propionate|Ethyl 2-(4-(6-chloro-2-quinoxalinyloxy)phenoxy)propanoate|Ethyl 2-[4-(6-chloro-2-quinoxalyloxy)phenoxy]propionate|Ethyl 2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionic acid|ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate|Miura|NC 302|NCI 96683|PC Code 128711|Propanoic acid, 2- [4- [(6- chloro- 2- quinoxalinyl) oxy] phenoxy] - , ethyl ester|Quinofop-ethyl|Quizalofop-p-ethyl|Targa|UNII-7280704RL4|Xylofop-ethyl|100760-10-9|89468-49-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023889
ARPathway2016 ARPathway2016_1540 Quizalofop-ethyl 76578-14-8 DTXSID9023889 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C(C)OC1=CC=C(OC2=CN=C3C=C(Cl)C=CC3=N2)C=C1 Quizalofop-ethyl 76578-14-8|Quizalofop-ethyl|2-(4-((6-Chloro-2-quinoxalinyl)oxy)phenoxy)propanoic acid ethyl ester|616-351-3|Assure|Caswell No. 215D|DPX 6202|DPX-Y 6202|DPX-Y 6202-3|EC No.: 616-351-3|EPA Pesticide Chemical Code 128711|ethyl (RS)-2-(4-(6-chloroquinoxalin-2-yloxy)phenoxy)propionate|Ethyl 2-(4-(6-chloro-2-quinoxalinyloxy)phenoxy)propanoate|Ethyl 2-[4-(6-chloro-2-quinoxalyloxy)phenoxy]propionate|Ethyl 2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionic acid|ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate|Miura|NC 302|NCI 96683|PC Code 128711|Propanoic acid, 2- [4- [(6- chloro- 2- quinoxalinyl) oxy] phenoxy] - , ethyl ester|Quinofop-ethyl|Quizalofop-p-ethyl|Targa|UNII-7280704RL4|Xylofop-ethyl|100760-10-9|89468-49-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023889
ERPathway2016 ERPathway2016_616 Quizalofop-ethyl 76578-14-8 DTXSID9023889 A17 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C(C)OC1=CC=C(OC2=CN=C3C=C(Cl)C=CC3=N2)C=C1 Quizalofop-ethyl 76578-14-8|Quizalofop-ethyl|2-(4-((6-Chloro-2-quinoxalinyl)oxy)phenoxy)propanoic acid ethyl ester|616-351-3|Assure|Caswell No. 215D|DPX 6202|DPX-Y 6202|DPX-Y 6202-3|EC No.: 616-351-3|EPA Pesticide Chemical Code 128711|ethyl (RS)-2-(4-(6-chloroquinoxalin-2-yloxy)phenoxy)propionate|Ethyl 2-(4-(6-chloro-2-quinoxalinyloxy)phenoxy)propanoate|Ethyl 2-[4-(6-chloro-2-quinoxalyloxy)phenoxy]propionate|Ethyl 2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionic acid|ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate|Miura|NC 302|NCI 96683|PC Code 128711|Propanoic acid, 2- [4- [(6- chloro- 2- quinoxalinyl) oxy] phenoxy] - , ethyl ester|Quinofop-ethyl|Quizalofop-p-ethyl|Targa|UNII-7280704RL4|Xylofop-ethyl|100760-10-9|89468-49-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023889
ERPathway2016 ERPathway2016_616 Quizalofop-ethyl 76578-14-8 DTXSID9023889 A17 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C(C)OC1=CC=C(OC2=CN=C3C=C(Cl)C=CC3=N2)C=C1 Quizalofop-ethyl 76578-14-8|Quizalofop-ethyl|2-(4-((6-Chloro-2-quinoxalinyl)oxy)phenoxy)propanoic acid ethyl ester|616-351-3|Assure|Caswell No. 215D|DPX 6202|DPX-Y 6202|DPX-Y 6202-3|EC No.: 616-351-3|EPA Pesticide Chemical Code 128711|ethyl (RS)-2-(4-(6-chloroquinoxalin-2-yloxy)phenoxy)propionate|Ethyl 2-(4-(6-chloro-2-quinoxalinyloxy)phenoxy)propanoate|Ethyl 2-[4-(6-chloro-2-quinoxalyloxy)phenoxy]propionate|Ethyl 2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionic acid|ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate|Miura|NC 302|NCI 96683|PC Code 128711|Propanoic acid, 2- [4- [(6- chloro- 2- quinoxalinyl) oxy] phenoxy] - , ethyl ester|Quinofop-ethyl|Quizalofop-p-ethyl|Targa|UNII-7280704RL4|Xylofop-ethyl|100760-10-9|89468-49-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023889
ERPathway2016 ERPathway2016_616 Quizalofop-ethyl 76578-14-8 DTXSID9023889 A17 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C(C)OC1=CC=C(OC2=CN=C3C=C(Cl)C=CC3=N2)C=C1 Quizalofop-ethyl 76578-14-8|Quizalofop-ethyl|2-(4-((6-Chloro-2-quinoxalinyl)oxy)phenoxy)propanoic acid ethyl ester|616-351-3|Assure|Caswell No. 215D|DPX 6202|DPX-Y 6202|DPX-Y 6202-3|EC No.: 616-351-3|EPA Pesticide Chemical Code 128711|ethyl (RS)-2-(4-(6-chloroquinoxalin-2-yloxy)phenoxy)propionate|Ethyl 2-(4-(6-chloro-2-quinoxalinyloxy)phenoxy)propanoate|Ethyl 2-[4-(6-chloro-2-quinoxalyloxy)phenoxy]propionate|Ethyl 2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionic acid|ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate|Miura|NC 302|NCI 96683|PC Code 128711|Propanoic acid, 2- [4- [(6- chloro- 2- quinoxalinyl) oxy] phenoxy] - , ethyl ester|Quinofop-ethyl|Quizalofop-p-ethyl|Targa|UNII-7280704RL4|Xylofop-ethyl|100760-10-9|89468-49-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023889
ERPathway2016 ERPathway2016_616 Quizalofop-ethyl 76578-14-8 DTXSID9023889 A17 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C(C)OC1=CC=C(OC2=CN=C3C=C(Cl)C=CC3=N2)C=C1 Quizalofop-ethyl 76578-14-8|Quizalofop-ethyl|2-(4-((6-Chloro-2-quinoxalinyl)oxy)phenoxy)propanoic acid ethyl ester|616-351-3|Assure|Caswell No. 215D|DPX 6202|DPX-Y 6202|DPX-Y 6202-3|EC No.: 616-351-3|EPA Pesticide Chemical Code 128711|ethyl (RS)-2-(4-(6-chloroquinoxalin-2-yloxy)phenoxy)propionate|Ethyl 2-(4-(6-chloro-2-quinoxalinyloxy)phenoxy)propanoate|Ethyl 2-[4-(6-chloro-2-quinoxalyloxy)phenoxy]propionate|Ethyl 2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionic acid|ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate|Miura|NC 302|NCI 96683|PC Code 128711|Propanoic acid, 2- [4- [(6- chloro- 2- quinoxalinyl) oxy] phenoxy] - , ethyl ester|Quinofop-ethyl|Quizalofop-p-ethyl|Targa|UNII-7280704RL4|Xylofop-ethyl|100760-10-9|89468-49-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9023889
ARPathway2016 ARPathway2016_1445 R-(-)-Carvone 6485-40-1 DTXSID7041413 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=C)[C@@H]1CC=C(C)C(=O)C1 R-(-)-Carvone 6485-40-1|R-(-)-Carvone|(-)-(4R)-carvone|(-)-(5R)-Carvone|(-)-(R)-Carvone|(-)-Carvone|(-)-p-Mentha-6,8-dien-2-one|(4R)-(-)-Carvone|(5R)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one|(5R)-5-isopropenyl-2-methyl-1-cyclohex-2-enone|(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one|(R)-(-)-CARVONE|(R)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(R)-5-isopropenyl-2-methylcyclohex-2-en-1-one|(R)-Carvone|1,1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE-,|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5R)-|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (R)-|CYCLOHEX-2-EN-1-ONE, 2-METHYL-5- (1-METHYLETHENYL)-, (R)- (-)-|EINECS 229-352-5|L-(-)-Carvone|L-1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE|L-1-methyl-4-isopropenyl-6-cyclohexene-2-one|l-6,8(9)-p-Menthadien-2-one|L-CARVON|L-CARVONE|l-p-menta-1(6),8-dien-2-ona|l-p-Mentha-1(6),8-dien-2-on|l-p-Mentha-1(6),8-dien-2-one|l-p-mentha-1(6), https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041413
ARPathway2016 ARPathway2016_1445 R-(-)-Carvone 6485-40-1 DTXSID7041413 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=C)[C@@H]1CC=C(C)C(=O)C1 R-(-)-Carvone 6485-40-1|R-(-)-Carvone|(-)-(4R)-carvone|(-)-(5R)-Carvone|(-)-(R)-Carvone|(-)-Carvone|(-)-p-Mentha-6,8-dien-2-one|(4R)-(-)-Carvone|(5R)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one|(5R)-5-isopropenyl-2-methyl-1-cyclohex-2-enone|(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one|(R)-(-)-CARVONE|(R)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(R)-5-isopropenyl-2-methylcyclohex-2-en-1-one|(R)-Carvone|1,1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE-,|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5R)-|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (R)-|CYCLOHEX-2-EN-1-ONE, 2-METHYL-5- (1-METHYLETHENYL)-, (R)- (-)-|EINECS 229-352-5|L-(-)-Carvone|L-1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE|L-1-methyl-4-isopropenyl-6-cyclohexene-2-one|l-6,8(9)-p-Menthadien-2-one|L-CARVON|L-CARVONE|l-p-menta-1(6),8-dien-2-ona|l-p-Mentha-1(6),8-dien-2-on|l-p-Mentha-1(6),8-dien-2-one|l-p-mentha-1(6), https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041413
ARPathway2016 ARPathway2016_1445 R-(-)-Carvone 6485-40-1 DTXSID7041413 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=C)[C@@H]1CC=C(C)C(=O)C1 R-(-)-Carvone 6485-40-1|R-(-)-Carvone|(-)-(4R)-carvone|(-)-(5R)-Carvone|(-)-(R)-Carvone|(-)-Carvone|(-)-p-Mentha-6,8-dien-2-one|(4R)-(-)-Carvone|(5R)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one|(5R)-5-isopropenyl-2-methyl-1-cyclohex-2-enone|(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one|(R)-(-)-CARVONE|(R)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(R)-5-isopropenyl-2-methylcyclohex-2-en-1-one|(R)-Carvone|1,1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE-,|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5R)-|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (R)-|CYCLOHEX-2-EN-1-ONE, 2-METHYL-5- (1-METHYLETHENYL)-, (R)- (-)-|EINECS 229-352-5|L-(-)-Carvone|L-1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE|L-1-methyl-4-isopropenyl-6-cyclohexene-2-one|l-6,8(9)-p-Menthadien-2-one|L-CARVON|L-CARVONE|l-p-menta-1(6),8-dien-2-ona|l-p-Mentha-1(6),8-dien-2-on|l-p-Mentha-1(6),8-dien-2-one|l-p-mentha-1(6), https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041413
ARPathway2016 ARPathway2016_1445 R-(-)-Carvone 6485-40-1 DTXSID7041413 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=C)[C@@H]1CC=C(C)C(=O)C1 R-(-)-Carvone 6485-40-1|R-(-)-Carvone|(-)-(4R)-carvone|(-)-(5R)-Carvone|(-)-(R)-Carvone|(-)-Carvone|(-)-p-Mentha-6,8-dien-2-one|(4R)-(-)-Carvone|(5R)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one|(5R)-5-isopropenyl-2-methyl-1-cyclohex-2-enone|(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one|(R)-(-)-CARVONE|(R)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(R)-5-isopropenyl-2-methylcyclohex-2-en-1-one|(R)-Carvone|1,1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE-,|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5R)-|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (R)-|CYCLOHEX-2-EN-1-ONE, 2-METHYL-5- (1-METHYLETHENYL)-, (R)- (-)-|EINECS 229-352-5|L-(-)-Carvone|L-1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE|L-1-methyl-4-isopropenyl-6-cyclohexene-2-one|l-6,8(9)-p-Menthadien-2-one|L-CARVON|L-CARVONE|l-p-menta-1(6),8-dien-2-ona|l-p-Mentha-1(6),8-dien-2-on|l-p-Mentha-1(6),8-dien-2-one|l-p-mentha-1(6), https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041413
ERPathway2016 ERPathway2016_477 R-(-)-Carvone 6485-40-1 DTXSID7041413 ER Pathway Model, Antagonist AC50 30.2201046780979 uM CC(=C)[C@@H]1CC=C(C)C(=O)C1 R-(-)-Carvone 6485-40-1|R-(-)-Carvone|(-)-(4R)-carvone|(-)-(5R)-Carvone|(-)-(R)-Carvone|(-)-Carvone|(-)-p-Mentha-6,8-dien-2-one|(4R)-(-)-Carvone|(5R)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one|(5R)-5-isopropenyl-2-methyl-1-cyclohex-2-enone|(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one|(R)-(-)-CARVONE|(R)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(R)-5-isopropenyl-2-methylcyclohex-2-en-1-one|(R)-Carvone|1,1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE-,|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5R)-|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (R)-|CYCLOHEX-2-EN-1-ONE, 2-METHYL-5- (1-METHYLETHENYL)-, (R)- (-)-|EINECS 229-352-5|L-(-)-Carvone|L-1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE|L-1-methyl-4-isopropenyl-6-cyclohexene-2-one|l-6,8(9)-p-Menthadien-2-one|L-CARVON|L-CARVONE|l-p-menta-1(6),8-dien-2-ona|l-p-Mentha-1(6),8-dien-2-on|l-p-Mentha-1(6),8-dien-2-one|l-p-mentha-1(6), https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041413
ERPathway2016 ERPathway2016_477 R-(-)-Carvone 6485-40-1 DTXSID7041413 ER Pathway Model, Antagonist ACC 16.7578304717658 uM CC(=C)[C@@H]1CC=C(C)C(=O)C1 R-(-)-Carvone 6485-40-1|R-(-)-Carvone|(-)-(4R)-carvone|(-)-(5R)-Carvone|(-)-(R)-Carvone|(-)-Carvone|(-)-p-Mentha-6,8-dien-2-one|(4R)-(-)-Carvone|(5R)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one|(5R)-5-isopropenyl-2-methyl-1-cyclohex-2-enone|(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one|(R)-(-)-CARVONE|(R)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(R)-5-isopropenyl-2-methylcyclohex-2-en-1-one|(R)-Carvone|1,1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE-,|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5R)-|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (R)-|CYCLOHEX-2-EN-1-ONE, 2-METHYL-5- (1-METHYLETHENYL)-, (R)- (-)-|EINECS 229-352-5|L-(-)-Carvone|L-1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE|L-1-methyl-4-isopropenyl-6-cyclohexene-2-one|l-6,8(9)-p-Menthadien-2-one|L-CARVON|L-CARVONE|l-p-menta-1(6),8-dien-2-ona|l-p-Mentha-1(6),8-dien-2-on|l-p-Mentha-1(6),8-dien-2-one|l-p-mentha-1(6), https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041413
ERPathway2016 ERPathway2016_477 R-(-)-Carvone 6485-40-1 DTXSID7041413 ER Pathway Model, Agonist Model Score 0.00195 Unitless CC(=C)[C@@H]1CC=C(C)C(=O)C1 R-(-)-Carvone 6485-40-1|R-(-)-Carvone|(-)-(4R)-carvone|(-)-(5R)-Carvone|(-)-(R)-Carvone|(-)-Carvone|(-)-p-Mentha-6,8-dien-2-one|(4R)-(-)-Carvone|(5R)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one|(5R)-5-isopropenyl-2-methyl-1-cyclohex-2-enone|(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one|(R)-(-)-CARVONE|(R)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(R)-5-isopropenyl-2-methylcyclohex-2-en-1-one|(R)-Carvone|1,1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE-,|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5R)-|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (R)-|CYCLOHEX-2-EN-1-ONE, 2-METHYL-5- (1-METHYLETHENYL)-, (R)- (-)-|EINECS 229-352-5|L-(-)-Carvone|L-1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE|L-1-methyl-4-isopropenyl-6-cyclohexene-2-one|l-6,8(9)-p-Menthadien-2-one|L-CARVON|L-CARVONE|l-p-menta-1(6),8-dien-2-ona|l-p-Mentha-1(6),8-dien-2-on|l-p-Mentha-1(6),8-dien-2-one|l-p-mentha-1(6), https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041413
ERPathway2016 ERPathway2016_477 R-(-)-Carvone 6485-40-1 DTXSID7041413 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=C)[C@@H]1CC=C(C)C(=O)C1 R-(-)-Carvone 6485-40-1|R-(-)-Carvone|(-)-(4R)-carvone|(-)-(5R)-Carvone|(-)-(R)-Carvone|(-)-Carvone|(-)-p-Mentha-6,8-dien-2-one|(4R)-(-)-Carvone|(5R)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one|(5R)-5-isopropenyl-2-methyl-1-cyclohex-2-enone|(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one|(R)-(-)-CARVONE|(R)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(R)-5-isopropenyl-2-methylcyclohex-2-en-1-one|(R)-Carvone|1,1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE-,|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5R)-|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (R)-|CYCLOHEX-2-EN-1-ONE, 2-METHYL-5- (1-METHYLETHENYL)-, (R)- (-)-|EINECS 229-352-5|L-(-)-Carvone|L-1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE|L-1-methyl-4-isopropenyl-6-cyclohexene-2-one|l-6,8(9)-p-Menthadien-2-one|L-CARVON|L-CARVONE|l-p-menta-1(6),8-dien-2-ona|l-p-Mentha-1(6),8-dien-2-on|l-p-Mentha-1(6),8-dien-2-one|l-p-mentha-1(6), https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041413
ERPathway2016 ERPathway2016_477 R-(-)-Carvone 6485-40-1 DTXSID7041413 ER Pathway Model, Agonist Call Inactive Unitless CC(=C)[C@@H]1CC=C(C)C(=O)C1 R-(-)-Carvone 6485-40-1|R-(-)-Carvone|(-)-(4R)-carvone|(-)-(5R)-Carvone|(-)-(R)-Carvone|(-)-Carvone|(-)-p-Mentha-6,8-dien-2-one|(4R)-(-)-Carvone|(5R)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one|(5R)-5-isopropenyl-2-methyl-1-cyclohex-2-enone|(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one|(R)-(-)-CARVONE|(R)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(R)-5-isopropenyl-2-methylcyclohex-2-en-1-one|(R)-Carvone|1,1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE-,|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5R)-|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (R)-|CYCLOHEX-2-EN-1-ONE, 2-METHYL-5- (1-METHYLETHENYL)-, (R)- (-)-|EINECS 229-352-5|L-(-)-Carvone|L-1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE|L-1-methyl-4-isopropenyl-6-cyclohexene-2-one|l-6,8(9)-p-Menthadien-2-one|L-CARVON|L-CARVONE|l-p-menta-1(6),8-dien-2-ona|l-p-Mentha-1(6),8-dien-2-on|l-p-Mentha-1(6),8-dien-2-one|l-p-mentha-1(6), https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041413
ERPathway2016 ERPathway2016_477 R-(-)-Carvone 6485-40-1 DTXSID7041413 ER Pathway Model, Antagonist Call Active Unitless CC(=C)[C@@H]1CC=C(C)C(=O)C1 R-(-)-Carvone 6485-40-1|R-(-)-Carvone|(-)-(4R)-carvone|(-)-(5R)-Carvone|(-)-(R)-Carvone|(-)-Carvone|(-)-p-Mentha-6,8-dien-2-one|(4R)-(-)-Carvone|(5R)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one|(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one|(5R)-5-isopropenyl-2-methyl-1-cyclohex-2-enone|(5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-one|(R)-(-)-CARVONE|(R)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(R)-5-isopropenyl-2-methylcyclohex-2-en-1-one|(R)-Carvone|1,1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE-,|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5R)-|2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (R)-|CYCLOHEX-2-EN-1-ONE, 2-METHYL-5- (1-METHYLETHENYL)-, (R)- (-)-|EINECS 229-352-5|L-(-)-Carvone|L-1-METHYL-4-ISOPROPENYL-6-CYCLOHEXEN-2-ONE|L-1-methyl-4-isopropenyl-6-cyclohexene-2-one|l-6,8(9)-p-Menthadien-2-one|L-CARVON|L-CARVONE|l-p-menta-1(6),8-dien-2-ona|l-p-Mentha-1(6),8-dien-2-on|l-p-Mentha-1(6),8-dien-2-one|l-p-mentha-1(6), https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041413
ARPathway2016 ARPathway2016_292 Raloxifene hydrochloride 82640-04-8 DTXSID1034181 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 32.4780667774479 uM Cl.OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=CC=C(O)C=C2S1 Raloxifene hydrochloride 82640-04-8|Raloxifene hydrochloride|6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride|Keoxifene hydrochloride|Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride|Raloxifene HCl|UNII-4F86W47BR6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034181
ARPathway2016 ARPathway2016_292 Raloxifene hydrochloride 82640-04-8 DTXSID1034181 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 31.27878664 uM Cl.OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=CC=C(O)C=C2S1 Raloxifene hydrochloride 82640-04-8|Raloxifene hydrochloride|6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride|Keoxifene hydrochloride|Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride|Raloxifene HCl|UNII-4F86W47BR6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034181
ARPathway2016 ARPathway2016_292 Raloxifene hydrochloride 82640-04-8 DTXSID1034181 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.217 Unitless Cl.OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=CC=C(O)C=C2S1 Raloxifene hydrochloride 82640-04-8|Raloxifene hydrochloride|6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride|Keoxifene hydrochloride|Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride|Raloxifene HCl|UNII-4F86W47BR6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034181
ARPathway2016 ARPathway2016_292 Raloxifene hydrochloride 82640-04-8 DTXSID1034181 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless Cl.OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=CC=C(O)C=C2S1 Raloxifene hydrochloride 82640-04-8|Raloxifene hydrochloride|6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride|Keoxifene hydrochloride|Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride|Raloxifene HCl|UNII-4F86W47BR6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034181
ARPathway2016 ARPathway2016_292 Raloxifene hydrochloride 82640-04-8 DTXSID1034181 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Cl.OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=CC=C(O)C=C2S1 Raloxifene hydrochloride 82640-04-8|Raloxifene hydrochloride|6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride|Keoxifene hydrochloride|Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride|Raloxifene HCl|UNII-4F86W47BR6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034181
ARPathway2016 ARPathway2016_292 Raloxifene hydrochloride 82640-04-8 DTXSID1034181 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Cl.OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=CC=C(O)C=C2S1 Raloxifene hydrochloride 82640-04-8|Raloxifene hydrochloride|6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride|Keoxifene hydrochloride|Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride|Raloxifene HCl|UNII-4F86W47BR6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034181
ERPathway2016 ERPathway2016_6 Raloxifene hydrochloride 82640-04-8 DTXSID1034181 Antagonist ER Pathway Model, Agonist AC50 0.0140712265314888 uM Cl.OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=CC=C(O)C=C2S1 Raloxifene hydrochloride 82640-04-8|Raloxifene hydrochloride|6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride|Keoxifene hydrochloride|Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride|Raloxifene HCl|UNII-4F86W47BR6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034181
ERPathway2016 ERPathway2016_6 Raloxifene hydrochloride 82640-04-8 DTXSID1034181 Antagonist ER Pathway Model, Agonist ACC 0.00074346434633514 uM Cl.OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=CC=C(O)C=C2S1 Raloxifene hydrochloride 82640-04-8|Raloxifene hydrochloride|6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride|Keoxifene hydrochloride|Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride|Raloxifene HCl|UNII-4F86W47BR6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034181
ERPathway2016 ERPathway2016_6 Raloxifene hydrochloride 82640-04-8 DTXSID1034181 Antagonist ER Pathway Model, Agonist Model Score 0.0243 Unitless Cl.OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=CC=C(O)C=C2S1 Raloxifene hydrochloride 82640-04-8|Raloxifene hydrochloride|6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride|Keoxifene hydrochloride|Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride|Raloxifene HCl|UNII-4F86W47BR6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034181
ERPathway2016 ERPathway2016_6 Raloxifene hydrochloride 82640-04-8 DTXSID1034181 Antagonist ER Pathway Model, Antagonist Model Score 0.671 Unitless Cl.OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=CC=C(O)C=C2S1 Raloxifene hydrochloride 82640-04-8|Raloxifene hydrochloride|6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride|Keoxifene hydrochloride|Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride|Raloxifene HCl|UNII-4F86W47BR6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034181
ERPathway2016 ERPathway2016_6 Raloxifene hydrochloride 82640-04-8 DTXSID1034181 Antagonist ER Pathway Model, Agonist Call Active Unitless Cl.OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=CC=C(O)C=C2S1 Raloxifene hydrochloride 82640-04-8|Raloxifene hydrochloride|6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride|Keoxifene hydrochloride|Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride|Raloxifene HCl|UNII-4F86W47BR6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034181
ERPathway2016 ERPathway2016_6 Raloxifene hydrochloride 82640-04-8 DTXSID1034181 Antagonist ER Pathway Model, Antagonist Call Inactive Unitless Cl.OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=CC=C(O)C=C2S1 Raloxifene hydrochloride 82640-04-8|Raloxifene hydrochloride|6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride|Keoxifene hydrochloride|Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride|Raloxifene HCl|UNII-4F86W47BR6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034181
ARPathway2016 ARPathway2016_1461 Ranitidine 66357-35-5 DTXSID8045191 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(NCCSCC1=CC=C(CN(C)C)O1)=C[N+]([O-])=O Ranitidine 66357-35-5|Ranitidine|1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-|1,1-Ethenediamine, N'-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N-methyl-2-nitro-|Achedos|Duractin|EINECS 266-332-5|Gastrial|Gastrosedol|Istomar|Label|Major ranitidine|Microtid|Midaven|N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine|N1-{2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-N'1-methyl-2-nitroethene-1,1-diamine|Ptinolin|Quicran|Radinat|Ranidine|Raniogas|Ranisen|Raniter|Ranitidin|ranitidina|Ranitidinum|Ranitiget|Rantacid|Raticina|Topcare jeartburn relief|Ulceranin|Ulcerit|UNII-884KT10YB7|Up and up acod redicer|Urantac|Verlost|Vizerul|Weichilin|Xanidine|Zantadin|Zenetac|70956-04-6|80020-48-0|86386-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8045191
ARPathway2016 ARPathway2016_1461 Ranitidine 66357-35-5 DTXSID8045191 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CNC(NCCSCC1=CC=C(CN(C)C)O1)=C[N+]([O-])=O Ranitidine 66357-35-5|Ranitidine|1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-|1,1-Ethenediamine, N'-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N-methyl-2-nitro-|Achedos|Duractin|EINECS 266-332-5|Gastrial|Gastrosedol|Istomar|Label|Major ranitidine|Microtid|Midaven|N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine|N1-{2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-N'1-methyl-2-nitroethene-1,1-diamine|Ptinolin|Quicran|Radinat|Ranidine|Raniogas|Ranisen|Raniter|Ranitidin|ranitidina|Ranitidinum|Ranitiget|Rantacid|Raticina|Topcare jeartburn relief|Ulceranin|Ulcerit|UNII-884KT10YB7|Up and up acod redicer|Urantac|Verlost|Vizerul|Weichilin|Xanidine|Zantadin|Zenetac|70956-04-6|80020-48-0|86386-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8045191
ARPathway2016 ARPathway2016_1461 Ranitidine 66357-35-5 DTXSID8045191 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CNC(NCCSCC1=CC=C(CN(C)C)O1)=C[N+]([O-])=O Ranitidine 66357-35-5|Ranitidine|1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-|1,1-Ethenediamine, N'-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N-methyl-2-nitro-|Achedos|Duractin|EINECS 266-332-5|Gastrial|Gastrosedol|Istomar|Label|Major ranitidine|Microtid|Midaven|N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine|N1-{2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-N'1-methyl-2-nitroethene-1,1-diamine|Ptinolin|Quicran|Radinat|Ranidine|Raniogas|Ranisen|Raniter|Ranitidin|ranitidina|Ranitidinum|Ranitiget|Rantacid|Raticina|Topcare jeartburn relief|Ulceranin|Ulcerit|UNII-884KT10YB7|Up and up acod redicer|Urantac|Verlost|Vizerul|Weichilin|Xanidine|Zantadin|Zenetac|70956-04-6|80020-48-0|86386-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8045191
ARPathway2016 ARPathway2016_1461 Ranitidine 66357-35-5 DTXSID8045191 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CNC(NCCSCC1=CC=C(CN(C)C)O1)=C[N+]([O-])=O Ranitidine 66357-35-5|Ranitidine|1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-|1,1-Ethenediamine, N'-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N-methyl-2-nitro-|Achedos|Duractin|EINECS 266-332-5|Gastrial|Gastrosedol|Istomar|Label|Major ranitidine|Microtid|Midaven|N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine|N1-{2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-N'1-methyl-2-nitroethene-1,1-diamine|Ptinolin|Quicran|Radinat|Ranidine|Raniogas|Ranisen|Raniter|Ranitidin|ranitidina|Ranitidinum|Ranitiget|Rantacid|Raticina|Topcare jeartburn relief|Ulceranin|Ulcerit|UNII-884KT10YB7|Up and up acod redicer|Urantac|Verlost|Vizerul|Weichilin|Xanidine|Zantadin|Zenetac|70956-04-6|80020-48-0|86386-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8045191
ERPathway2016 ERPathway2016_954 Ranitidine 66357-35-5 DTXSID8045191 A15 ER Pathway Model, Agonist Model Score 0 Unitless CNC(NCCSCC1=CC=C(CN(C)C)O1)=C[N+]([O-])=O Ranitidine 66357-35-5|Ranitidine|1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-|1,1-Ethenediamine, N'-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N-methyl-2-nitro-|Achedos|Duractin|EINECS 266-332-5|Gastrial|Gastrosedol|Istomar|Label|Major ranitidine|Microtid|Midaven|N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine|N1-{2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-N'1-methyl-2-nitroethene-1,1-diamine|Ptinolin|Quicran|Radinat|Ranidine|Raniogas|Ranisen|Raniter|Ranitidin|ranitidina|Ranitidinum|Ranitiget|Rantacid|Raticina|Topcare jeartburn relief|Ulceranin|Ulcerit|UNII-884KT10YB7|Up and up acod redicer|Urantac|Verlost|Vizerul|Weichilin|Xanidine|Zantadin|Zenetac|70956-04-6|80020-48-0|86386-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8045191
ERPathway2016 ERPathway2016_954 Ranitidine 66357-35-5 DTXSID8045191 A15 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(NCCSCC1=CC=C(CN(C)C)O1)=C[N+]([O-])=O Ranitidine 66357-35-5|Ranitidine|1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-|1,1-Ethenediamine, N'-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N-methyl-2-nitro-|Achedos|Duractin|EINECS 266-332-5|Gastrial|Gastrosedol|Istomar|Label|Major ranitidine|Microtid|Midaven|N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine|N1-{2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-N'1-methyl-2-nitroethene-1,1-diamine|Ptinolin|Quicran|Radinat|Ranidine|Raniogas|Ranisen|Raniter|Ranitidin|ranitidina|Ranitidinum|Ranitiget|Rantacid|Raticina|Topcare jeartburn relief|Ulceranin|Ulcerit|UNII-884KT10YB7|Up and up acod redicer|Urantac|Verlost|Vizerul|Weichilin|Xanidine|Zantadin|Zenetac|70956-04-6|80020-48-0|86386-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8045191
ERPathway2016 ERPathway2016_954 Ranitidine 66357-35-5 DTXSID8045191 A15 ER Pathway Model, Agonist Call Inactive Unitless CNC(NCCSCC1=CC=C(CN(C)C)O1)=C[N+]([O-])=O Ranitidine 66357-35-5|Ranitidine|1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-|1,1-Ethenediamine, N'-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N-methyl-2-nitro-|Achedos|Duractin|EINECS 266-332-5|Gastrial|Gastrosedol|Istomar|Label|Major ranitidine|Microtid|Midaven|N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine|N1-{2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-N'1-methyl-2-nitroethene-1,1-diamine|Ptinolin|Quicran|Radinat|Ranidine|Raniogas|Ranisen|Raniter|Ranitidin|ranitidina|Ranitidinum|Ranitiget|Rantacid|Raticina|Topcare jeartburn relief|Ulceranin|Ulcerit|UNII-884KT10YB7|Up and up acod redicer|Urantac|Verlost|Vizerul|Weichilin|Xanidine|Zantadin|Zenetac|70956-04-6|80020-48-0|86386-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8045191
ERPathway2016 ERPathway2016_954 Ranitidine 66357-35-5 DTXSID8045191 A15 ER Pathway Model, Antagonist Call Inactive Unitless CNC(NCCSCC1=CC=C(CN(C)C)O1)=C[N+]([O-])=O Ranitidine 66357-35-5|Ranitidine|1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-|1,1-Ethenediamine, N'-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N-methyl-2-nitro-|Achedos|Duractin|EINECS 266-332-5|Gastrial|Gastrosedol|Istomar|Label|Major ranitidine|Microtid|Midaven|N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine|N1-{2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-N'1-methyl-2-nitroethene-1,1-diamine|Ptinolin|Quicran|Radinat|Ranidine|Raniogas|Ranisen|Raniter|Ranitidin|ranitidina|Ranitidinum|Ranitiget|Rantacid|Raticina|Topcare jeartburn relief|Ulceranin|Ulcerit|UNII-884KT10YB7|Up and up acod redicer|Urantac|Verlost|Vizerul|Weichilin|Xanidine|Zantadin|Zenetac|70956-04-6|80020-48-0|86386-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8045191
ARPathway2016 ARPathway2016_192 Reserpine 50-55-5 DTXSID7021237 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 15.5805808 uM [H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2 Reserpine 50-55-5|Reserpine|"l"-Carpserp|(-)-Reserpine|11,17-Dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic acid methyl ester|11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester|200-047-9|3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)|3,4,5-Trimethoxybenzoyl methyl reserpate|3b,20a-Yohimban-16b-carboxylic acid, 18b-hydroxy-11,17a-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate|4-25-00-01319|Alkarau|Alserin|Apoplon|Apsical|Ascoserpina|Austrapine|Banasil|Benazyl|Bioserpine|BRN 0102014|Carditivo|Carpacil|Carrserp|Caswell No. 722A|Chloroserp-250|Chloroserp-500|Chloroserpin-250|Chloroserpine-500|Crystoserpine|Deserpine|Diupres 250|Diupres 500|Diurese-R|EC No.: 200-047-9|EINECS 200-047-9|Elserpine|Enipresser|EPA Pesticide Chemical Code 123101|Escaspere|Eserpine|Eskaserp|Eskaserpine|Gilucard|Helfoserpin|Hiposerpil|Hiserpia|Hydro-Fluserpine #1|Hydro-Reserpine-25|Hydro-Reserpine-50|Hydromox-R||1407-38-1|141099-49-2|8048-25-7|873409-80-4|909883-12-1|911481-85-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021237 https://doi.org/10.22427/NTP-DATA-DTXSID7021237
ARPathway2016 ARPathway2016_192 Reserpine 50-55-5 DTXSID7021237 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 10.88246565 uM [H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2 Reserpine 50-55-5|Reserpine|"l"-Carpserp|(-)-Reserpine|11,17-Dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic acid methyl ester|11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester|200-047-9|3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)|3,4,5-Trimethoxybenzoyl methyl reserpate|3b,20a-Yohimban-16b-carboxylic acid, 18b-hydroxy-11,17a-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate|4-25-00-01319|Alkarau|Alserin|Apoplon|Apsical|Ascoserpina|Austrapine|Banasil|Benazyl|Bioserpine|BRN 0102014|Carditivo|Carpacil|Carrserp|Caswell No. 722A|Chloroserp-250|Chloroserp-500|Chloroserpin-250|Chloroserpine-500|Crystoserpine|Deserpine|Diupres 250|Diupres 500|Diurese-R|EC No.: 200-047-9|EINECS 200-047-9|Elserpine|Enipresser|EPA Pesticide Chemical Code 123101|Escaspere|Eserpine|Eskaserp|Eskaserpine|Gilucard|Helfoserpin|Hiposerpil|Hiserpia|Hydro-Fluserpine #1|Hydro-Reserpine-25|Hydro-Reserpine-50|Hydromox-R||1407-38-1|141099-49-2|8048-25-7|873409-80-4|909883-12-1|911481-85-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021237 https://doi.org/10.22427/NTP-DATA-DTXSID7021237
ARPathway2016 ARPathway2016_192 Reserpine 50-55-5 DTXSID7021237 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.327 Unitless [H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2 Reserpine 50-55-5|Reserpine|"l"-Carpserp|(-)-Reserpine|11,17-Dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic acid methyl ester|11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester|200-047-9|3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)|3,4,5-Trimethoxybenzoyl methyl reserpate|3b,20a-Yohimban-16b-carboxylic acid, 18b-hydroxy-11,17a-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate|4-25-00-01319|Alkarau|Alserin|Apoplon|Apsical|Ascoserpina|Austrapine|Banasil|Benazyl|Bioserpine|BRN 0102014|Carditivo|Carpacil|Carrserp|Caswell No. 722A|Chloroserp-250|Chloroserp-500|Chloroserpin-250|Chloroserpine-500|Crystoserpine|Deserpine|Diupres 250|Diupres 500|Diurese-R|EC No.: 200-047-9|EINECS 200-047-9|Elserpine|Enipresser|EPA Pesticide Chemical Code 123101|Escaspere|Eserpine|Eskaserp|Eskaserpine|Gilucard|Helfoserpin|Hiposerpil|Hiserpia|Hydro-Fluserpine #1|Hydro-Reserpine-25|Hydro-Reserpine-50|Hydromox-R||1407-38-1|141099-49-2|8048-25-7|873409-80-4|909883-12-1|911481-85-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021237 https://doi.org/10.22427/NTP-DATA-DTXSID7021237
ARPathway2016 ARPathway2016_192 Reserpine 50-55-5 DTXSID7021237 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2 Reserpine 50-55-5|Reserpine|"l"-Carpserp|(-)-Reserpine|11,17-Dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic acid methyl ester|11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester|200-047-9|3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)|3,4,5-Trimethoxybenzoyl methyl reserpate|3b,20a-Yohimban-16b-carboxylic acid, 18b-hydroxy-11,17a-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate|4-25-00-01319|Alkarau|Alserin|Apoplon|Apsical|Ascoserpina|Austrapine|Banasil|Benazyl|Bioserpine|BRN 0102014|Carditivo|Carpacil|Carrserp|Caswell No. 722A|Chloroserp-250|Chloroserp-500|Chloroserpin-250|Chloroserpine-500|Crystoserpine|Deserpine|Diupres 250|Diupres 500|Diurese-R|EC No.: 200-047-9|EINECS 200-047-9|Elserpine|Enipresser|EPA Pesticide Chemical Code 123101|Escaspere|Eserpine|Eskaserp|Eskaserpine|Gilucard|Helfoserpin|Hiposerpil|Hiserpia|Hydro-Fluserpine #1|Hydro-Reserpine-25|Hydro-Reserpine-50|Hydromox-R||1407-38-1|141099-49-2|8048-25-7|873409-80-4|909883-12-1|911481-85-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021237 https://doi.org/10.22427/NTP-DATA-DTXSID7021237
ARPathway2016 ARPathway2016_192 Reserpine 50-55-5 DTXSID7021237 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2 Reserpine 50-55-5|Reserpine|"l"-Carpserp|(-)-Reserpine|11,17-Dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic acid methyl ester|11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester|200-047-9|3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)|3,4,5-Trimethoxybenzoyl methyl reserpate|3b,20a-Yohimban-16b-carboxylic acid, 18b-hydroxy-11,17a-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate|4-25-00-01319|Alkarau|Alserin|Apoplon|Apsical|Ascoserpina|Austrapine|Banasil|Benazyl|Bioserpine|BRN 0102014|Carditivo|Carpacil|Carrserp|Caswell No. 722A|Chloroserp-250|Chloroserp-500|Chloroserpin-250|Chloroserpine-500|Crystoserpine|Deserpine|Diupres 250|Diupres 500|Diurese-R|EC No.: 200-047-9|EINECS 200-047-9|Elserpine|Enipresser|EPA Pesticide Chemical Code 123101|Escaspere|Eserpine|Eskaserp|Eskaserpine|Gilucard|Helfoserpin|Hiposerpil|Hiserpia|Hydro-Fluserpine #1|Hydro-Reserpine-25|Hydro-Reserpine-50|Hydromox-R||1407-38-1|141099-49-2|8048-25-7|873409-80-4|909883-12-1|911481-85-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021237 https://doi.org/10.22427/NTP-DATA-DTXSID7021237
ARPathway2016 ARPathway2016_192 Reserpine 50-55-5 DTXSID7021237 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2 Reserpine 50-55-5|Reserpine|"l"-Carpserp|(-)-Reserpine|11,17-Dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic acid methyl ester|11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester|200-047-9|3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)|3,4,5-Trimethoxybenzoyl methyl reserpate|3b,20a-Yohimban-16b-carboxylic acid, 18b-hydroxy-11,17a-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate|4-25-00-01319|Alkarau|Alserin|Apoplon|Apsical|Ascoserpina|Austrapine|Banasil|Benazyl|Bioserpine|BRN 0102014|Carditivo|Carpacil|Carrserp|Caswell No. 722A|Chloroserp-250|Chloroserp-500|Chloroserpin-250|Chloroserpine-500|Crystoserpine|Deserpine|Diupres 250|Diupres 500|Diurese-R|EC No.: 200-047-9|EINECS 200-047-9|Elserpine|Enipresser|EPA Pesticide Chemical Code 123101|Escaspere|Eserpine|Eskaserp|Eskaserpine|Gilucard|Helfoserpin|Hiposerpil|Hiserpia|Hydro-Fluserpine #1|Hydro-Reserpine-25|Hydro-Reserpine-50|Hydromox-R||1407-38-1|141099-49-2|8048-25-7|873409-80-4|909883-12-1|911481-85-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021237 https://doi.org/10.22427/NTP-DATA-DTXSID7021237
ERPathway2016 ERPathway2016_581 Reserpine 50-55-5 DTXSID7021237 ER Pathway Model, Agonist Model Score 0 Unitless [H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2 Reserpine 50-55-5|Reserpine|"l"-Carpserp|(-)-Reserpine|11,17-Dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic acid methyl ester|11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester|200-047-9|3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)|3,4,5-Trimethoxybenzoyl methyl reserpate|3b,20a-Yohimban-16b-carboxylic acid, 18b-hydroxy-11,17a-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate|4-25-00-01319|Alkarau|Alserin|Apoplon|Apsical|Ascoserpina|Austrapine|Banasil|Benazyl|Bioserpine|BRN 0102014|Carditivo|Carpacil|Carrserp|Caswell No. 722A|Chloroserp-250|Chloroserp-500|Chloroserpin-250|Chloroserpine-500|Crystoserpine|Deserpine|Diupres 250|Diupres 500|Diurese-R|EC No.: 200-047-9|EINECS 200-047-9|Elserpine|Enipresser|EPA Pesticide Chemical Code 123101|Escaspere|Eserpine|Eskaserp|Eskaserpine|Gilucard|Helfoserpin|Hiposerpil|Hiserpia|Hydro-Fluserpine #1|Hydro-Reserpine-25|Hydro-Reserpine-50|Hydromox-R||1407-38-1|141099-49-2|8048-25-7|873409-80-4|909883-12-1|911481-85-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021237 https://doi.org/10.22427/NTP-DATA-DTXSID7021237
ERPathway2016 ERPathway2016_581 Reserpine 50-55-5 DTXSID7021237 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2 Reserpine 50-55-5|Reserpine|"l"-Carpserp|(-)-Reserpine|11,17-Dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic acid methyl ester|11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester|200-047-9|3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)|3,4,5-Trimethoxybenzoyl methyl reserpate|3b,20a-Yohimban-16b-carboxylic acid, 18b-hydroxy-11,17a-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate|4-25-00-01319|Alkarau|Alserin|Apoplon|Apsical|Ascoserpina|Austrapine|Banasil|Benazyl|Bioserpine|BRN 0102014|Carditivo|Carpacil|Carrserp|Caswell No. 722A|Chloroserp-250|Chloroserp-500|Chloroserpin-250|Chloroserpine-500|Crystoserpine|Deserpine|Diupres 250|Diupres 500|Diurese-R|EC No.: 200-047-9|EINECS 200-047-9|Elserpine|Enipresser|EPA Pesticide Chemical Code 123101|Escaspere|Eserpine|Eskaserp|Eskaserpine|Gilucard|Helfoserpin|Hiposerpil|Hiserpia|Hydro-Fluserpine #1|Hydro-Reserpine-25|Hydro-Reserpine-50|Hydromox-R||1407-38-1|141099-49-2|8048-25-7|873409-80-4|909883-12-1|911481-85-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021237 https://doi.org/10.22427/NTP-DATA-DTXSID7021237
ERPathway2016 ERPathway2016_581 Reserpine 50-55-5 DTXSID7021237 ER Pathway Model, Agonist Call Inactive Unitless [H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2 Reserpine 50-55-5|Reserpine|"l"-Carpserp|(-)-Reserpine|11,17-Dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic acid methyl ester|11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester|200-047-9|3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)|3,4,5-Trimethoxybenzoyl methyl reserpate|3b,20a-Yohimban-16b-carboxylic acid, 18b-hydroxy-11,17a-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate|4-25-00-01319|Alkarau|Alserin|Apoplon|Apsical|Ascoserpina|Austrapine|Banasil|Benazyl|Bioserpine|BRN 0102014|Carditivo|Carpacil|Carrserp|Caswell No. 722A|Chloroserp-250|Chloroserp-500|Chloroserpin-250|Chloroserpine-500|Crystoserpine|Deserpine|Diupres 250|Diupres 500|Diurese-R|EC No.: 200-047-9|EINECS 200-047-9|Elserpine|Enipresser|EPA Pesticide Chemical Code 123101|Escaspere|Eserpine|Eskaserp|Eskaserpine|Gilucard|Helfoserpin|Hiposerpil|Hiserpia|Hydro-Fluserpine #1|Hydro-Reserpine-25|Hydro-Reserpine-50|Hydromox-R||1407-38-1|141099-49-2|8048-25-7|873409-80-4|909883-12-1|911481-85-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021237 https://doi.org/10.22427/NTP-DATA-DTXSID7021237
ERPathway2016 ERPathway2016_581 Reserpine 50-55-5 DTXSID7021237 ER Pathway Model, Antagonist Call Inactive Unitless [H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2 Reserpine 50-55-5|Reserpine|"l"-Carpserp|(-)-Reserpine|11,17-Dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic acid methyl ester|11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester|200-047-9|3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)|3,4,5-Trimethoxybenzoyl methyl reserpate|3b,20a-Yohimban-16b-carboxylic acid, 18b-hydroxy-11,17a-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate|4-25-00-01319|Alkarau|Alserin|Apoplon|Apsical|Ascoserpina|Austrapine|Banasil|Benazyl|Bioserpine|BRN 0102014|Carditivo|Carpacil|Carrserp|Caswell No. 722A|Chloroserp-250|Chloroserp-500|Chloroserpin-250|Chloroserpine-500|Crystoserpine|Deserpine|Diupres 250|Diupres 500|Diurese-R|EC No.: 200-047-9|EINECS 200-047-9|Elserpine|Enipresser|EPA Pesticide Chemical Code 123101|Escaspere|Eserpine|Eskaserp|Eskaserpine|Gilucard|Helfoserpin|Hiposerpil|Hiserpia|Hydro-Fluserpine #1|Hydro-Reserpine-25|Hydro-Reserpine-50|Hydromox-R||1407-38-1|141099-49-2|8048-25-7|873409-80-4|909883-12-1|911481-85-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021237 https://doi.org/10.22427/NTP-DATA-DTXSID7021237
ARPathway2016 ARPathway2016_9 Resmethrin 10453-86-8 DTXSID7022253 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 30.9942488999901 uM CC(C)=CC1C(C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C Resmethrin 10453-86-8|Resmethrin|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-furylmethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl) methyl-2,2-dimethyl-3-(2-methylpropenyl)-cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl (1RS)-cis-trans-chrysanthemate|(5-Benzyl-3-furyl)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl chrysanthemate|(5-Benzyl-3-furyl)methyl-DL-cis, trans-chrysanthemate|(5-Phenylmethyl-3-furan)methyl-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropane carboxylate|[5-(Phenylmethyl)-3-furanyl]methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid [5-(phenylmethyl)-3-furanyl]methyl ester|5-Benzyl-3-furylmethyl (.+-.)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+-)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+|24004-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022253
ARPathway2016 ARPathway2016_9 Resmethrin 10453-86-8 DTXSID7022253 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 32.3028128452362 uM CC(C)=CC1C(C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C Resmethrin 10453-86-8|Resmethrin|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-furylmethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl) methyl-2,2-dimethyl-3-(2-methylpropenyl)-cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl (1RS)-cis-trans-chrysanthemate|(5-Benzyl-3-furyl)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl chrysanthemate|(5-Benzyl-3-furyl)methyl-DL-cis, trans-chrysanthemate|(5-Phenylmethyl-3-furan)methyl-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropane carboxylate|[5-(Phenylmethyl)-3-furanyl]methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid [5-(phenylmethyl)-3-furanyl]methyl ester|5-Benzyl-3-furylmethyl (.+-.)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+-)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+|24004-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022253
ARPathway2016 ARPathway2016_9 Resmethrin 10453-86-8 DTXSID7022253 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.148 Unitless CC(C)=CC1C(C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C Resmethrin 10453-86-8|Resmethrin|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-furylmethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl) methyl-2,2-dimethyl-3-(2-methylpropenyl)-cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl (1RS)-cis-trans-chrysanthemate|(5-Benzyl-3-furyl)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl chrysanthemate|(5-Benzyl-3-furyl)methyl-DL-cis, trans-chrysanthemate|(5-Phenylmethyl-3-furan)methyl-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropane carboxylate|[5-(Phenylmethyl)-3-furanyl]methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid [5-(phenylmethyl)-3-furanyl]methyl ester|5-Benzyl-3-furylmethyl (.+-.)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+-)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+|24004-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022253
ARPathway2016 ARPathway2016_9 Resmethrin 10453-86-8 DTXSID7022253 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=CC1C(C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C Resmethrin 10453-86-8|Resmethrin|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-furylmethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl) methyl-2,2-dimethyl-3-(2-methylpropenyl)-cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl (1RS)-cis-trans-chrysanthemate|(5-Benzyl-3-furyl)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl chrysanthemate|(5-Benzyl-3-furyl)methyl-DL-cis, trans-chrysanthemate|(5-Phenylmethyl-3-furan)methyl-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropane carboxylate|[5-(Phenylmethyl)-3-furanyl]methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid [5-(phenylmethyl)-3-furanyl]methyl ester|5-Benzyl-3-furylmethyl (.+-.)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+-)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+|24004-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022253
ARPathway2016 ARPathway2016_9 Resmethrin 10453-86-8 DTXSID7022253 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)=CC1C(C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C Resmethrin 10453-86-8|Resmethrin|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-furylmethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl) methyl-2,2-dimethyl-3-(2-methylpropenyl)-cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl (1RS)-cis-trans-chrysanthemate|(5-Benzyl-3-furyl)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl chrysanthemate|(5-Benzyl-3-furyl)methyl-DL-cis, trans-chrysanthemate|(5-Phenylmethyl-3-furan)methyl-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropane carboxylate|[5-(Phenylmethyl)-3-furanyl]methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid [5-(phenylmethyl)-3-furanyl]methyl ester|5-Benzyl-3-furylmethyl (.+-.)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+-)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+|24004-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022253
ARPathway2016 ARPathway2016_9 Resmethrin 10453-86-8 DTXSID7022253 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=CC1C(C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C Resmethrin 10453-86-8|Resmethrin|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-furylmethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl) methyl-2,2-dimethyl-3-(2-methylpropenyl)-cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl (1RS)-cis-trans-chrysanthemate|(5-Benzyl-3-furyl)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl chrysanthemate|(5-Benzyl-3-furyl)methyl-DL-cis, trans-chrysanthemate|(5-Phenylmethyl-3-furan)methyl-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropane carboxylate|[5-(Phenylmethyl)-3-furanyl]methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid [5-(phenylmethyl)-3-furanyl]methyl ester|5-Benzyl-3-furylmethyl (.+-.)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+-)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+|24004-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022253
ERPathway2016 ERPathway2016_397 Resmethrin 10453-86-8 DTXSID7022253 ER Pathway Model, Antagonist AC50 28.1454802551395 uM CC(C)=CC1C(C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C Resmethrin 10453-86-8|Resmethrin|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-furylmethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl) methyl-2,2-dimethyl-3-(2-methylpropenyl)-cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl (1RS)-cis-trans-chrysanthemate|(5-Benzyl-3-furyl)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl chrysanthemate|(5-Benzyl-3-furyl)methyl-DL-cis, trans-chrysanthemate|(5-Phenylmethyl-3-furan)methyl-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropane carboxylate|[5-(Phenylmethyl)-3-furanyl]methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid [5-(phenylmethyl)-3-furanyl]methyl ester|5-Benzyl-3-furylmethyl (.+-.)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+-)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+|24004-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022253
ERPathway2016 ERPathway2016_397 Resmethrin 10453-86-8 DTXSID7022253 ER Pathway Model, Antagonist ACC 45.4291274712666 uM CC(C)=CC1C(C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C Resmethrin 10453-86-8|Resmethrin|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-furylmethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl) methyl-2,2-dimethyl-3-(2-methylpropenyl)-cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl (1RS)-cis-trans-chrysanthemate|(5-Benzyl-3-furyl)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl chrysanthemate|(5-Benzyl-3-furyl)methyl-DL-cis, trans-chrysanthemate|(5-Phenylmethyl-3-furan)methyl-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropane carboxylate|[5-(Phenylmethyl)-3-furanyl]methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid [5-(phenylmethyl)-3-furanyl]methyl ester|5-Benzyl-3-furylmethyl (.+-.)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+-)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+|24004-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022253
ERPathway2016 ERPathway2016_397 Resmethrin 10453-86-8 DTXSID7022253 ER Pathway Model, Agonist Model Score 0.00944 Unitless CC(C)=CC1C(C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C Resmethrin 10453-86-8|Resmethrin|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-furylmethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl) methyl-2,2-dimethyl-3-(2-methylpropenyl)-cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl (1RS)-cis-trans-chrysanthemate|(5-Benzyl-3-furyl)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl chrysanthemate|(5-Benzyl-3-furyl)methyl-DL-cis, trans-chrysanthemate|(5-Phenylmethyl-3-furan)methyl-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropane carboxylate|[5-(Phenylmethyl)-3-furanyl]methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid [5-(phenylmethyl)-3-furanyl]methyl ester|5-Benzyl-3-furylmethyl (.+-.)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+-)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+|24004-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022253
ERPathway2016 ERPathway2016_397 Resmethrin 10453-86-8 DTXSID7022253 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CC1C(C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C Resmethrin 10453-86-8|Resmethrin|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-furylmethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl) methyl-2,2-dimethyl-3-(2-methylpropenyl)-cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl (1RS)-cis-trans-chrysanthemate|(5-Benzyl-3-furyl)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl chrysanthemate|(5-Benzyl-3-furyl)methyl-DL-cis, trans-chrysanthemate|(5-Phenylmethyl-3-furan)methyl-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropane carboxylate|[5-(Phenylmethyl)-3-furanyl]methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid [5-(phenylmethyl)-3-furanyl]methyl ester|5-Benzyl-3-furylmethyl (.+-.)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+-)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+|24004-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022253
ERPathway2016 ERPathway2016_397 Resmethrin 10453-86-8 DTXSID7022253 ER Pathway Model, Agonist Call Inactive Unitless CC(C)=CC1C(C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C Resmethrin 10453-86-8|Resmethrin|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-furylmethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl) methyl-2,2-dimethyl-3-(2-methylpropenyl)-cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl (1RS)-cis-trans-chrysanthemate|(5-Benzyl-3-furyl)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl chrysanthemate|(5-Benzyl-3-furyl)methyl-DL-cis, trans-chrysanthemate|(5-Phenylmethyl-3-furan)methyl-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropane carboxylate|[5-(Phenylmethyl)-3-furanyl]methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid [5-(phenylmethyl)-3-furanyl]methyl ester|5-Benzyl-3-furylmethyl (.+-.)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+-)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+|24004-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022253
ERPathway2016 ERPathway2016_397 Resmethrin 10453-86-8 DTXSID7022253 ER Pathway Model, Antagonist Call Active Unitless CC(C)=CC1C(C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C Resmethrin 10453-86-8|Resmethrin|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(5-(Phenylmethyl)-3-furanyl)methyl 2,2-dimethyl-3-furylmethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl) methyl-2,2-dimethyl-3-(2-methylpropenyl)-cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl (1RS)-cis-trans-chrysanthemate|(5-Benzyl-3-furyl)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|(5-Benzyl-3-furyl)methyl chrysanthemate|(5-Benzyl-3-furyl)methyl-DL-cis, trans-chrysanthemate|(5-Phenylmethyl-3-furan)methyl-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropane carboxylate|[5-(Phenylmethyl)-3-furanyl]methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid [5-(phenylmethyl)-3-furanyl]methyl ester|5-Benzyl-3-furylmethyl (.+-.)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+-)-cis-trans-chrysanthemate|5-Benzyl-3-furylmethyl (+|24004-07-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7022253
ARPathway2016 ARPathway2016_512 Resorcinol 108-46-3 DTXSID2021238 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC(O)=CC=C1 Resorcinol 108-46-3|Resorcinol|1,3-Benzenediol|1,3-DIHYDROXYBENZENE|1,3-Dihydroxybenzol|3-Hydroxycyclohexadien-1-one|3-Hydroxyphenol|4-06-00-05658|benzene-1,3-diol|Benzene, 1,3-dihydroxy-|Benzene, m-dihydroxy-|BRN 0906905|C.I. Developer 4|C.I. Oxidation Base 31|Caswell No. 723|Developer O|Developer R|Developer RS|Dihydroxybenzol|Durafur Developer G|EINECS 203-585-2|EPA Pesticide Chemical Code 071401|FEMA No. 3589|Fouramine RS|Fourrine 79|Fourrine EW|m-Benzenediol|m-Dihydroxybenzene|m-Dioxybenzene|m-Hydroquinone|m-Hydroxyphenol|m-Phenylenediol|Nako TGG|NCI-C05970|NSC 1571|Oxidation Base 31|Pelagol Grey RS|Pelagol RS|PHENOL, 3-HYDROXY-|Phenol, m-hydroxy-|RCRA waste number U201|Redimix 401RAP60|Resorcin|Resorcine|Resorcinol 80|Resorcinolum|Resorzin|Rezorsine|Rodol RS|UN 2876|UNII-YUL4LO94HK https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021238 https://doi.org/10.22427/NTP-DATA-DTXSID2021238
ARPathway2016 ARPathway2016_512 Resorcinol 108-46-3 DTXSID2021238 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC(O)=CC=C1 Resorcinol 108-46-3|Resorcinol|1,3-Benzenediol|1,3-DIHYDROXYBENZENE|1,3-Dihydroxybenzol|3-Hydroxycyclohexadien-1-one|3-Hydroxyphenol|4-06-00-05658|benzene-1,3-diol|Benzene, 1,3-dihydroxy-|Benzene, m-dihydroxy-|BRN 0906905|C.I. Developer 4|C.I. Oxidation Base 31|Caswell No. 723|Developer O|Developer R|Developer RS|Dihydroxybenzol|Durafur Developer G|EINECS 203-585-2|EPA Pesticide Chemical Code 071401|FEMA No. 3589|Fouramine RS|Fourrine 79|Fourrine EW|m-Benzenediol|m-Dihydroxybenzene|m-Dioxybenzene|m-Hydroquinone|m-Hydroxyphenol|m-Phenylenediol|Nako TGG|NCI-C05970|NSC 1571|Oxidation Base 31|Pelagol Grey RS|Pelagol RS|PHENOL, 3-HYDROXY-|Phenol, m-hydroxy-|RCRA waste number U201|Redimix 401RAP60|Resorcin|Resorcine|Resorcinol 80|Resorcinolum|Resorzin|Rezorsine|Rodol RS|UN 2876|UNII-YUL4LO94HK https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021238 https://doi.org/10.22427/NTP-DATA-DTXSID2021238
ARPathway2016 ARPathway2016_512 Resorcinol 108-46-3 DTXSID2021238 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC(O)=CC=C1 Resorcinol 108-46-3|Resorcinol|1,3-Benzenediol|1,3-DIHYDROXYBENZENE|1,3-Dihydroxybenzol|3-Hydroxycyclohexadien-1-one|3-Hydroxyphenol|4-06-00-05658|benzene-1,3-diol|Benzene, 1,3-dihydroxy-|Benzene, m-dihydroxy-|BRN 0906905|C.I. Developer 4|C.I. Oxidation Base 31|Caswell No. 723|Developer O|Developer R|Developer RS|Dihydroxybenzol|Durafur Developer G|EINECS 203-585-2|EPA Pesticide Chemical Code 071401|FEMA No. 3589|Fouramine RS|Fourrine 79|Fourrine EW|m-Benzenediol|m-Dihydroxybenzene|m-Dioxybenzene|m-Hydroquinone|m-Hydroxyphenol|m-Phenylenediol|Nako TGG|NCI-C05970|NSC 1571|Oxidation Base 31|Pelagol Grey RS|Pelagol RS|PHENOL, 3-HYDROXY-|Phenol, m-hydroxy-|RCRA waste number U201|Redimix 401RAP60|Resorcin|Resorcine|Resorcinol 80|Resorcinolum|Resorzin|Rezorsine|Rodol RS|UN 2876|UNII-YUL4LO94HK https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021238 https://doi.org/10.22427/NTP-DATA-DTXSID2021238
ARPathway2016 ARPathway2016_512 Resorcinol 108-46-3 DTXSID2021238 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC(O)=CC=C1 Resorcinol 108-46-3|Resorcinol|1,3-Benzenediol|1,3-DIHYDROXYBENZENE|1,3-Dihydroxybenzol|3-Hydroxycyclohexadien-1-one|3-Hydroxyphenol|4-06-00-05658|benzene-1,3-diol|Benzene, 1,3-dihydroxy-|Benzene, m-dihydroxy-|BRN 0906905|C.I. Developer 4|C.I. Oxidation Base 31|Caswell No. 723|Developer O|Developer R|Developer RS|Dihydroxybenzol|Durafur Developer G|EINECS 203-585-2|EPA Pesticide Chemical Code 071401|FEMA No. 3589|Fouramine RS|Fourrine 79|Fourrine EW|m-Benzenediol|m-Dihydroxybenzene|m-Dioxybenzene|m-Hydroquinone|m-Hydroxyphenol|m-Phenylenediol|Nako TGG|NCI-C05970|NSC 1571|Oxidation Base 31|Pelagol Grey RS|Pelagol RS|PHENOL, 3-HYDROXY-|Phenol, m-hydroxy-|RCRA waste number U201|Redimix 401RAP60|Resorcin|Resorcine|Resorcinol 80|Resorcinolum|Resorzin|Rezorsine|Rodol RS|UN 2876|UNII-YUL4LO94HK https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021238 https://doi.org/10.22427/NTP-DATA-DTXSID2021238
ERPathway2016 ERPathway2016_41 Resorcinol 108-46-3 DTXSID2021238 ER Pathway Model, Agonist AC50 32.084017601991 uM OC1=CC(O)=CC=C1 Resorcinol 108-46-3|Resorcinol|1,3-Benzenediol|1,3-DIHYDROXYBENZENE|1,3-Dihydroxybenzol|3-Hydroxycyclohexadien-1-one|3-Hydroxyphenol|4-06-00-05658|benzene-1,3-diol|Benzene, 1,3-dihydroxy-|Benzene, m-dihydroxy-|BRN 0906905|C.I. Developer 4|C.I. Oxidation Base 31|Caswell No. 723|Developer O|Developer R|Developer RS|Dihydroxybenzol|Durafur Developer G|EINECS 203-585-2|EPA Pesticide Chemical Code 071401|FEMA No. 3589|Fouramine RS|Fourrine 79|Fourrine EW|m-Benzenediol|m-Dihydroxybenzene|m-Dioxybenzene|m-Hydroquinone|m-Hydroxyphenol|m-Phenylenediol|Nako TGG|NCI-C05970|NSC 1571|Oxidation Base 31|Pelagol Grey RS|Pelagol RS|PHENOL, 3-HYDROXY-|Phenol, m-hydroxy-|RCRA waste number U201|Redimix 401RAP60|Resorcin|Resorcine|Resorcinol 80|Resorcinolum|Resorzin|Rezorsine|Rodol RS|UN 2876|UNII-YUL4LO94HK https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021238 https://doi.org/10.22427/NTP-DATA-DTXSID2021238
ERPathway2016 ERPathway2016_41 Resorcinol 108-46-3 DTXSID2021238 ER Pathway Model, Agonist ACC 28.6225831546908 uM OC1=CC(O)=CC=C1 Resorcinol 108-46-3|Resorcinol|1,3-Benzenediol|1,3-DIHYDROXYBENZENE|1,3-Dihydroxybenzol|3-Hydroxycyclohexadien-1-one|3-Hydroxyphenol|4-06-00-05658|benzene-1,3-diol|Benzene, 1,3-dihydroxy-|Benzene, m-dihydroxy-|BRN 0906905|C.I. Developer 4|C.I. Oxidation Base 31|Caswell No. 723|Developer O|Developer R|Developer RS|Dihydroxybenzol|Durafur Developer G|EINECS 203-585-2|EPA Pesticide Chemical Code 071401|FEMA No. 3589|Fouramine RS|Fourrine 79|Fourrine EW|m-Benzenediol|m-Dihydroxybenzene|m-Dioxybenzene|m-Hydroquinone|m-Hydroxyphenol|m-Phenylenediol|Nako TGG|NCI-C05970|NSC 1571|Oxidation Base 31|Pelagol Grey RS|Pelagol RS|PHENOL, 3-HYDROXY-|Phenol, m-hydroxy-|RCRA waste number U201|Redimix 401RAP60|Resorcin|Resorcine|Resorcinol 80|Resorcinolum|Resorzin|Rezorsine|Rodol RS|UN 2876|UNII-YUL4LO94HK https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021238 https://doi.org/10.22427/NTP-DATA-DTXSID2021238
ERPathway2016 ERPathway2016_41 Resorcinol 108-46-3 DTXSID2021238 ER Pathway Model, Agonist Model Score 0.00321 Unitless OC1=CC(O)=CC=C1 Resorcinol 108-46-3|Resorcinol|1,3-Benzenediol|1,3-DIHYDROXYBENZENE|1,3-Dihydroxybenzol|3-Hydroxycyclohexadien-1-one|3-Hydroxyphenol|4-06-00-05658|benzene-1,3-diol|Benzene, 1,3-dihydroxy-|Benzene, m-dihydroxy-|BRN 0906905|C.I. Developer 4|C.I. Oxidation Base 31|Caswell No. 723|Developer O|Developer R|Developer RS|Dihydroxybenzol|Durafur Developer G|EINECS 203-585-2|EPA Pesticide Chemical Code 071401|FEMA No. 3589|Fouramine RS|Fourrine 79|Fourrine EW|m-Benzenediol|m-Dihydroxybenzene|m-Dioxybenzene|m-Hydroquinone|m-Hydroxyphenol|m-Phenylenediol|Nako TGG|NCI-C05970|NSC 1571|Oxidation Base 31|Pelagol Grey RS|Pelagol RS|PHENOL, 3-HYDROXY-|Phenol, m-hydroxy-|RCRA waste number U201|Redimix 401RAP60|Resorcin|Resorcine|Resorcinol 80|Resorcinolum|Resorzin|Rezorsine|Rodol RS|UN 2876|UNII-YUL4LO94HK https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021238 https://doi.org/10.22427/NTP-DATA-DTXSID2021238
ERPathway2016 ERPathway2016_41 Resorcinol 108-46-3 DTXSID2021238 ER Pathway Model, Antagonist Model Score 0.0101 Unitless OC1=CC(O)=CC=C1 Resorcinol 108-46-3|Resorcinol|1,3-Benzenediol|1,3-DIHYDROXYBENZENE|1,3-Dihydroxybenzol|3-Hydroxycyclohexadien-1-one|3-Hydroxyphenol|4-06-00-05658|benzene-1,3-diol|Benzene, 1,3-dihydroxy-|Benzene, m-dihydroxy-|BRN 0906905|C.I. Developer 4|C.I. Oxidation Base 31|Caswell No. 723|Developer O|Developer R|Developer RS|Dihydroxybenzol|Durafur Developer G|EINECS 203-585-2|EPA Pesticide Chemical Code 071401|FEMA No. 3589|Fouramine RS|Fourrine 79|Fourrine EW|m-Benzenediol|m-Dihydroxybenzene|m-Dioxybenzene|m-Hydroquinone|m-Hydroxyphenol|m-Phenylenediol|Nako TGG|NCI-C05970|NSC 1571|Oxidation Base 31|Pelagol Grey RS|Pelagol RS|PHENOL, 3-HYDROXY-|Phenol, m-hydroxy-|RCRA waste number U201|Redimix 401RAP60|Resorcin|Resorcine|Resorcinol 80|Resorcinolum|Resorzin|Rezorsine|Rodol RS|UN 2876|UNII-YUL4LO94HK https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021238 https://doi.org/10.22427/NTP-DATA-DTXSID2021238
ERPathway2016 ERPathway2016_41 Resorcinol 108-46-3 DTXSID2021238 ER Pathway Model, Agonist Call Active Unitless OC1=CC(O)=CC=C1 Resorcinol 108-46-3|Resorcinol|1,3-Benzenediol|1,3-DIHYDROXYBENZENE|1,3-Dihydroxybenzol|3-Hydroxycyclohexadien-1-one|3-Hydroxyphenol|4-06-00-05658|benzene-1,3-diol|Benzene, 1,3-dihydroxy-|Benzene, m-dihydroxy-|BRN 0906905|C.I. Developer 4|C.I. Oxidation Base 31|Caswell No. 723|Developer O|Developer R|Developer RS|Dihydroxybenzol|Durafur Developer G|EINECS 203-585-2|EPA Pesticide Chemical Code 071401|FEMA No. 3589|Fouramine RS|Fourrine 79|Fourrine EW|m-Benzenediol|m-Dihydroxybenzene|m-Dioxybenzene|m-Hydroquinone|m-Hydroxyphenol|m-Phenylenediol|Nako TGG|NCI-C05970|NSC 1571|Oxidation Base 31|Pelagol Grey RS|Pelagol RS|PHENOL, 3-HYDROXY-|Phenol, m-hydroxy-|RCRA waste number U201|Redimix 401RAP60|Resorcin|Resorcine|Resorcinol 80|Resorcinolum|Resorzin|Rezorsine|Rodol RS|UN 2876|UNII-YUL4LO94HK https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021238 https://doi.org/10.22427/NTP-DATA-DTXSID2021238
ERPathway2016 ERPathway2016_41 Resorcinol 108-46-3 DTXSID2021238 ER Pathway Model, Antagonist Call Inactive Unitless OC1=CC(O)=CC=C1 Resorcinol 108-46-3|Resorcinol|1,3-Benzenediol|1,3-DIHYDROXYBENZENE|1,3-Dihydroxybenzol|3-Hydroxycyclohexadien-1-one|3-Hydroxyphenol|4-06-00-05658|benzene-1,3-diol|Benzene, 1,3-dihydroxy-|Benzene, m-dihydroxy-|BRN 0906905|C.I. Developer 4|C.I. Oxidation Base 31|Caswell No. 723|Developer O|Developer R|Developer RS|Dihydroxybenzol|Durafur Developer G|EINECS 203-585-2|EPA Pesticide Chemical Code 071401|FEMA No. 3589|Fouramine RS|Fourrine 79|Fourrine EW|m-Benzenediol|m-Dihydroxybenzene|m-Dioxybenzene|m-Hydroquinone|m-Hydroxyphenol|m-Phenylenediol|Nako TGG|NCI-C05970|NSC 1571|Oxidation Base 31|Pelagol Grey RS|Pelagol RS|PHENOL, 3-HYDROXY-|Phenol, m-hydroxy-|RCRA waste number U201|Redimix 401RAP60|Resorcin|Resorcine|Resorcinol 80|Resorcinolum|Resorzin|Rezorsine|Rodol RS|UN 2876|UNII-YUL4LO94HK https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021238 https://doi.org/10.22427/NTP-DATA-DTXSID2021238
ARPathway2016 ARPathway2016_1125 Retinoic acid 302-79-4 DTXSID7021239 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C=CC1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O Retinoic acid 302-79-4|Retinoic acid|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid|2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|206-129-0|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid|3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid|A-Vitaminsyre|Aberel|Aberela|Acide retinoique|Acnavit|Aknefug|Aknoten|all-(E)-Retinoic acid|all-trans Retinoic acid|all-trans-Retinoic acid|all-trans-Tretinoin|all-trans-Vitamin A acid|all-trans-Vitamin A1 acid|all-trans-b-Retinoic acid|Alltrans-retinoic acid|ATRA|Atragen|Atralin|Avitoin|beta-RA|Betarretin|BRN 2057223|Cordes Vas|Dermairol|EC No.: 206-129-0|Effederm|EINECS 206-129-0|Epi-Aberel|NSC 122578|NS|187175-63-9|56573-65-0|7005-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021239
ARPathway2016 ARPathway2016_1125 Retinoic acid 302-79-4 DTXSID7021239 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CC(C=CC1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O Retinoic acid 302-79-4|Retinoic acid|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid|2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|206-129-0|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid|3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid|A-Vitaminsyre|Aberel|Aberela|Acide retinoique|Acnavit|Aknefug|Aknoten|all-(E)-Retinoic acid|all-trans Retinoic acid|all-trans-Retinoic acid|all-trans-Tretinoin|all-trans-Vitamin A acid|all-trans-Vitamin A1 acid|all-trans-b-Retinoic acid|Alltrans-retinoic acid|ATRA|Atragen|Atralin|Avitoin|beta-RA|Betarretin|BRN 2057223|Cordes Vas|Dermairol|EC No.: 206-129-0|Effederm|EINECS 206-129-0|Epi-Aberel|NSC 122578|NS|187175-63-9|56573-65-0|7005-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021239
ARPathway2016 ARPathway2016_1125 Retinoic acid 302-79-4 DTXSID7021239 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CC(C=CC1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O Retinoic acid 302-79-4|Retinoic acid|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid|2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|206-129-0|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid|3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid|A-Vitaminsyre|Aberel|Aberela|Acide retinoique|Acnavit|Aknefug|Aknoten|all-(E)-Retinoic acid|all-trans Retinoic acid|all-trans-Retinoic acid|all-trans-Tretinoin|all-trans-Vitamin A acid|all-trans-Vitamin A1 acid|all-trans-b-Retinoic acid|Alltrans-retinoic acid|ATRA|Atragen|Atralin|Avitoin|beta-RA|Betarretin|BRN 2057223|Cordes Vas|Dermairol|EC No.: 206-129-0|Effederm|EINECS 206-129-0|Epi-Aberel|NSC 122578|NS|187175-63-9|56573-65-0|7005-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021239
ARPathway2016 ARPathway2016_1125 Retinoic acid 302-79-4 DTXSID7021239 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CC(C=CC1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O Retinoic acid 302-79-4|Retinoic acid|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid|2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|206-129-0|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid|3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid|A-Vitaminsyre|Aberel|Aberela|Acide retinoique|Acnavit|Aknefug|Aknoten|all-(E)-Retinoic acid|all-trans Retinoic acid|all-trans-Retinoic acid|all-trans-Tretinoin|all-trans-Vitamin A acid|all-trans-Vitamin A1 acid|all-trans-b-Retinoic acid|Alltrans-retinoic acid|ATRA|Atragen|Atralin|Avitoin|beta-RA|Betarretin|BRN 2057223|Cordes Vas|Dermairol|EC No.: 206-129-0|Effederm|EINECS 206-129-0|Epi-Aberel|NSC 122578|NS|187175-63-9|56573-65-0|7005-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021239
ERPathway2016 ERPathway2016_495 Retinoic acid 302-79-4 DTXSID7021239 R6 ER Pathway Model, Agonist Model Score 0 Unitless CC(C=CC1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O Retinoic acid 302-79-4|Retinoic acid|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid|2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|206-129-0|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid|3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid|A-Vitaminsyre|Aberel|Aberela|Acide retinoique|Acnavit|Aknefug|Aknoten|all-(E)-Retinoic acid|all-trans Retinoic acid|all-trans-Retinoic acid|all-trans-Tretinoin|all-trans-Vitamin A acid|all-trans-Vitamin A1 acid|all-trans-b-Retinoic acid|Alltrans-retinoic acid|ATRA|Atragen|Atralin|Avitoin|beta-RA|Betarretin|BRN 2057223|Cordes Vas|Dermairol|EC No.: 206-129-0|Effederm|EINECS 206-129-0|Epi-Aberel|NSC 122578|NS|187175-63-9|56573-65-0|7005-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021239
ERPathway2016 ERPathway2016_495 Retinoic acid 302-79-4 DTXSID7021239 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C=CC1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O Retinoic acid 302-79-4|Retinoic acid|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid|2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|206-129-0|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid|3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid|A-Vitaminsyre|Aberel|Aberela|Acide retinoique|Acnavit|Aknefug|Aknoten|all-(E)-Retinoic acid|all-trans Retinoic acid|all-trans-Retinoic acid|all-trans-Tretinoin|all-trans-Vitamin A acid|all-trans-Vitamin A1 acid|all-trans-b-Retinoic acid|Alltrans-retinoic acid|ATRA|Atragen|Atralin|Avitoin|beta-RA|Betarretin|BRN 2057223|Cordes Vas|Dermairol|EC No.: 206-129-0|Effederm|EINECS 206-129-0|Epi-Aberel|NSC 122578|NS|187175-63-9|56573-65-0|7005-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021239
ERPathway2016 ERPathway2016_495 Retinoic acid 302-79-4 DTXSID7021239 R6 ER Pathway Model, Agonist Call Inactive Unitless CC(C=CC1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O Retinoic acid 302-79-4|Retinoic acid|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid|2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|206-129-0|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid|3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid|A-Vitaminsyre|Aberel|Aberela|Acide retinoique|Acnavit|Aknefug|Aknoten|all-(E)-Retinoic acid|all-trans Retinoic acid|all-trans-Retinoic acid|all-trans-Tretinoin|all-trans-Vitamin A acid|all-trans-Vitamin A1 acid|all-trans-b-Retinoic acid|Alltrans-retinoic acid|ATRA|Atragen|Atralin|Avitoin|beta-RA|Betarretin|BRN 2057223|Cordes Vas|Dermairol|EC No.: 206-129-0|Effederm|EINECS 206-129-0|Epi-Aberel|NSC 122578|NS|187175-63-9|56573-65-0|7005-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021239
ERPathway2016 ERPathway2016_495 Retinoic acid 302-79-4 DTXSID7021239 R6 ER Pathway Model, Antagonist Call Inactive Unitless CC(C=CC1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O Retinoic acid 302-79-4|Retinoic acid|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid|2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|206-129-0|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid|3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid|A-Vitaminsyre|Aberel|Aberela|Acide retinoique|Acnavit|Aknefug|Aknoten|all-(E)-Retinoic acid|all-trans Retinoic acid|all-trans-Retinoic acid|all-trans-Tretinoin|all-trans-Vitamin A acid|all-trans-Vitamin A1 acid|all-trans-b-Retinoic acid|Alltrans-retinoic acid|ATRA|Atragen|Atralin|Avitoin|beta-RA|Betarretin|BRN 2057223|Cordes Vas|Dermairol|EC No.: 206-129-0|Effederm|EINECS 206-129-0|Epi-Aberel|NSC 122578|NS|187175-63-9|56573-65-0|7005-78-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021239
ARPathway2016 ARPathway2016_249 Retinol 68-26-8 DTXSID3023556 1.0 Antagonist AR Pathway Model, Agonist AC50 58.24001277 uM CC(=C/CO)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol 68-26-8|Retinol|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraen-1-ol|2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclchexen-1-yl)-2,4,6,8-nonatetraen-1-ol|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, (all-E)-|4-06-00-04133|A-Mulsal|A-Vi-Pel|A-Vitan|Agiolan|Agoncal|Alcovit A|All-trans retinol|all-trans-Retinol|all-trans-Retinyl alcohol|all-trans-Vitamin A|all-trans-Vitamin A alcohol|all-trans-Vitamin A1|Alphalin|Alphasterol|Anatola|Anatola A|Anti-Infective vitamin|Antixerophthalmic vitamin|Antixerophthalmisches Vitamin|Apostavit|Aquasol A Parenteral|Aquasynth|Axerophthol|Axerophtholum|b-Retinol|Bentavit A|beta-Retinol|Biosterol|BRN 0403040|Chocola A|Cylasphere|Disatabs Tabs|Dohyfral A|EINECS 200-683-7|Epiteliol|Hi-A|13123-33-6|17104-91-5|5979-23-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023556 https://doi.org/10.22427/NTP-DATA-DTXSID3023556
ARPathway2016 ARPathway2016_249 Retinol 68-26-8 DTXSID3023556 1.0 Antagonist AR Pathway Model, Agonist ACC 49.26716785 uM CC(=C/CO)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol 68-26-8|Retinol|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraen-1-ol|2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclchexen-1-yl)-2,4,6,8-nonatetraen-1-ol|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, (all-E)-|4-06-00-04133|A-Mulsal|A-Vi-Pel|A-Vitan|Agiolan|Agoncal|Alcovit A|All-trans retinol|all-trans-Retinol|all-trans-Retinyl alcohol|all-trans-Vitamin A|all-trans-Vitamin A alcohol|all-trans-Vitamin A1|Alphalin|Alphasterol|Anatola|Anatola A|Anti-Infective vitamin|Antixerophthalmic vitamin|Antixerophthalmisches Vitamin|Apostavit|Aquasol A Parenteral|Aquasynth|Axerophthol|Axerophtholum|b-Retinol|Bentavit A|beta-Retinol|Biosterol|BRN 0403040|Chocola A|Cylasphere|Disatabs Tabs|Dohyfral A|EINECS 200-683-7|Epiteliol|Hi-A|13123-33-6|17104-91-5|5979-23-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023556 https://doi.org/10.22427/NTP-DATA-DTXSID3023556
ARPathway2016 ARPathway2016_249 Retinol 68-26-8 DTXSID3023556 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0564 Unitless CC(=C/CO)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol 68-26-8|Retinol|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraen-1-ol|2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclchexen-1-yl)-2,4,6,8-nonatetraen-1-ol|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, (all-E)-|4-06-00-04133|A-Mulsal|A-Vi-Pel|A-Vitan|Agiolan|Agoncal|Alcovit A|All-trans retinol|all-trans-Retinol|all-trans-Retinyl alcohol|all-trans-Vitamin A|all-trans-Vitamin A alcohol|all-trans-Vitamin A1|Alphalin|Alphasterol|Anatola|Anatola A|Anti-Infective vitamin|Antixerophthalmic vitamin|Antixerophthalmisches Vitamin|Apostavit|Aquasol A Parenteral|Aquasynth|Axerophthol|Axerophtholum|b-Retinol|Bentavit A|beta-Retinol|Biosterol|BRN 0403040|Chocola A|Cylasphere|Disatabs Tabs|Dohyfral A|EINECS 200-683-7|Epiteliol|Hi-A|13123-33-6|17104-91-5|5979-23-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023556 https://doi.org/10.22427/NTP-DATA-DTXSID3023556
ARPathway2016 ARPathway2016_249 Retinol 68-26-8 DTXSID3023556 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(=C/CO)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol 68-26-8|Retinol|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraen-1-ol|2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclchexen-1-yl)-2,4,6,8-nonatetraen-1-ol|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, (all-E)-|4-06-00-04133|A-Mulsal|A-Vi-Pel|A-Vitan|Agiolan|Agoncal|Alcovit A|All-trans retinol|all-trans-Retinol|all-trans-Retinyl alcohol|all-trans-Vitamin A|all-trans-Vitamin A alcohol|all-trans-Vitamin A1|Alphalin|Alphasterol|Anatola|Anatola A|Anti-Infective vitamin|Antixerophthalmic vitamin|Antixerophthalmisches Vitamin|Apostavit|Aquasol A Parenteral|Aquasynth|Axerophthol|Axerophtholum|b-Retinol|Bentavit A|beta-Retinol|Biosterol|BRN 0403040|Chocola A|Cylasphere|Disatabs Tabs|Dohyfral A|EINECS 200-683-7|Epiteliol|Hi-A|13123-33-6|17104-91-5|5979-23-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023556 https://doi.org/10.22427/NTP-DATA-DTXSID3023556
ARPathway2016 ARPathway2016_249 Retinol 68-26-8 DTXSID3023556 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(=C/CO)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol 68-26-8|Retinol|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraen-1-ol|2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclchexen-1-yl)-2,4,6,8-nonatetraen-1-ol|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, (all-E)-|4-06-00-04133|A-Mulsal|A-Vi-Pel|A-Vitan|Agiolan|Agoncal|Alcovit A|All-trans retinol|all-trans-Retinol|all-trans-Retinyl alcohol|all-trans-Vitamin A|all-trans-Vitamin A alcohol|all-trans-Vitamin A1|Alphalin|Alphasterol|Anatola|Anatola A|Anti-Infective vitamin|Antixerophthalmic vitamin|Antixerophthalmisches Vitamin|Apostavit|Aquasol A Parenteral|Aquasynth|Axerophthol|Axerophtholum|b-Retinol|Bentavit A|beta-Retinol|Biosterol|BRN 0403040|Chocola A|Cylasphere|Disatabs Tabs|Dohyfral A|EINECS 200-683-7|Epiteliol|Hi-A|13123-33-6|17104-91-5|5979-23-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023556 https://doi.org/10.22427/NTP-DATA-DTXSID3023556
ARPathway2016 ARPathway2016_249 Retinol 68-26-8 DTXSID3023556 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(=C/CO)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol 68-26-8|Retinol|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraen-1-ol|2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclchexen-1-yl)-2,4,6,8-nonatetraen-1-ol|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, (all-E)-|4-06-00-04133|A-Mulsal|A-Vi-Pel|A-Vitan|Agiolan|Agoncal|Alcovit A|All-trans retinol|all-trans-Retinol|all-trans-Retinyl alcohol|all-trans-Vitamin A|all-trans-Vitamin A alcohol|all-trans-Vitamin A1|Alphalin|Alphasterol|Anatola|Anatola A|Anti-Infective vitamin|Antixerophthalmic vitamin|Antixerophthalmisches Vitamin|Apostavit|Aquasol A Parenteral|Aquasynth|Axerophthol|Axerophtholum|b-Retinol|Bentavit A|beta-Retinol|Biosterol|BRN 0403040|Chocola A|Cylasphere|Disatabs Tabs|Dohyfral A|EINECS 200-683-7|Epiteliol|Hi-A|13123-33-6|17104-91-5|5979-23-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023556 https://doi.org/10.22427/NTP-DATA-DTXSID3023556
ERPathway2016 ERPathway2016_499 Retinol 68-26-8 DTXSID3023556 R6 ER Pathway Model, Agonist Model Score 0 Unitless CC(=C/CO)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol 68-26-8|Retinol|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraen-1-ol|2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclchexen-1-yl)-2,4,6,8-nonatetraen-1-ol|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, (all-E)-|4-06-00-04133|A-Mulsal|A-Vi-Pel|A-Vitan|Agiolan|Agoncal|Alcovit A|All-trans retinol|all-trans-Retinol|all-trans-Retinyl alcohol|all-trans-Vitamin A|all-trans-Vitamin A alcohol|all-trans-Vitamin A1|Alphalin|Alphasterol|Anatola|Anatola A|Anti-Infective vitamin|Antixerophthalmic vitamin|Antixerophthalmisches Vitamin|Apostavit|Aquasol A Parenteral|Aquasynth|Axerophthol|Axerophtholum|b-Retinol|Bentavit A|beta-Retinol|Biosterol|BRN 0403040|Chocola A|Cylasphere|Disatabs Tabs|Dohyfral A|EINECS 200-683-7|Epiteliol|Hi-A|13123-33-6|17104-91-5|5979-23-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023556 https://doi.org/10.22427/NTP-DATA-DTXSID3023556
ERPathway2016 ERPathway2016_499 Retinol 68-26-8 DTXSID3023556 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=C/CO)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol 68-26-8|Retinol|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraen-1-ol|2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclchexen-1-yl)-2,4,6,8-nonatetraen-1-ol|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, (all-E)-|4-06-00-04133|A-Mulsal|A-Vi-Pel|A-Vitan|Agiolan|Agoncal|Alcovit A|All-trans retinol|all-trans-Retinol|all-trans-Retinyl alcohol|all-trans-Vitamin A|all-trans-Vitamin A alcohol|all-trans-Vitamin A1|Alphalin|Alphasterol|Anatola|Anatola A|Anti-Infective vitamin|Antixerophthalmic vitamin|Antixerophthalmisches Vitamin|Apostavit|Aquasol A Parenteral|Aquasynth|Axerophthol|Axerophtholum|b-Retinol|Bentavit A|beta-Retinol|Biosterol|BRN 0403040|Chocola A|Cylasphere|Disatabs Tabs|Dohyfral A|EINECS 200-683-7|Epiteliol|Hi-A|13123-33-6|17104-91-5|5979-23-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023556 https://doi.org/10.22427/NTP-DATA-DTXSID3023556
ERPathway2016 ERPathway2016_499 Retinol 68-26-8 DTXSID3023556 R6 ER Pathway Model, Agonist Call Inactive Unitless CC(=C/CO)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol 68-26-8|Retinol|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraen-1-ol|2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclchexen-1-yl)-2,4,6,8-nonatetraen-1-ol|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, (all-E)-|4-06-00-04133|A-Mulsal|A-Vi-Pel|A-Vitan|Agiolan|Agoncal|Alcovit A|All-trans retinol|all-trans-Retinol|all-trans-Retinyl alcohol|all-trans-Vitamin A|all-trans-Vitamin A alcohol|all-trans-Vitamin A1|Alphalin|Alphasterol|Anatola|Anatola A|Anti-Infective vitamin|Antixerophthalmic vitamin|Antixerophthalmisches Vitamin|Apostavit|Aquasol A Parenteral|Aquasynth|Axerophthol|Axerophtholum|b-Retinol|Bentavit A|beta-Retinol|Biosterol|BRN 0403040|Chocola A|Cylasphere|Disatabs Tabs|Dohyfral A|EINECS 200-683-7|Epiteliol|Hi-A|13123-33-6|17104-91-5|5979-23-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023556 https://doi.org/10.22427/NTP-DATA-DTXSID3023556
ERPathway2016 ERPathway2016_499 Retinol 68-26-8 DTXSID3023556 R6 ER Pathway Model, Antagonist Call Inactive Unitless CC(=C/CO)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol 68-26-8|Retinol|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraen-1-ol|2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclchexen-1-yl)-2,4,6,8-nonatetraen-1-ol|3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, (all-E)-|4-06-00-04133|A-Mulsal|A-Vi-Pel|A-Vitan|Agiolan|Agoncal|Alcovit A|All-trans retinol|all-trans-Retinol|all-trans-Retinyl alcohol|all-trans-Vitamin A|all-trans-Vitamin A alcohol|all-trans-Vitamin A1|Alphalin|Alphasterol|Anatola|Anatola A|Anti-Infective vitamin|Antixerophthalmic vitamin|Antixerophthalmisches Vitamin|Apostavit|Aquasol A Parenteral|Aquasynth|Axerophthol|Axerophtholum|b-Retinol|Bentavit A|beta-Retinol|Biosterol|BRN 0403040|Chocola A|Cylasphere|Disatabs Tabs|Dohyfral A|EINECS 200-683-7|Epiteliol|Hi-A|13123-33-6|17104-91-5|5979-23-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023556 https://doi.org/10.22427/NTP-DATA-DTXSID3023556
ARPathway2016 ARPathway2016_48 Retinol acetate 127-47-9 DTXSID6021240 FLAG: Wrong direction (Hit/No hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 46.8944174 uM CC(=O)OCC=C(/C)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol acetate 127-47-9|Retinol acetate|Acetate de retinyle|ACETATE, RETINOL|acetato de retinilo|all-trans-Retinol acetate|all-trans-Retinyl acetate|all-trans-Retinylacetate|all-trans-Vitamin A acetate|BRN 1915439|Crystalets|Davitan A 650|EINECS 204-844-2|Myvak|Myvax|NSC 122045|NSC 122760|O(15)-acetylretinol|Retinol, acetate|Retinol, acetate, all-trans-|retinyl acetate|Retinyl acetate, all-trans-|Retinylacetat|trans-Retinol acetate|trans-Retinyl acetate|UNII-3LE3D9D6OY|Vitamin A acetate|Vitamin A alcohol acetate|Vitamin A ester|Vitamin A1 acetate|11098-51-4|13116-20-6|7095-40-1|80180-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021240
ARPathway2016 ARPathway2016_48 Retinol acetate 127-47-9 DTXSID6021240 FLAG: Wrong direction (Hit/No hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 44.43391271 uM CC(=O)OCC=C(/C)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol acetate 127-47-9|Retinol acetate|Acetate de retinyle|ACETATE, RETINOL|acetato de retinilo|all-trans-Retinol acetate|all-trans-Retinyl acetate|all-trans-Retinylacetate|all-trans-Vitamin A acetate|BRN 1915439|Crystalets|Davitan A 650|EINECS 204-844-2|Myvak|Myvax|NSC 122045|NSC 122760|O(15)-acetylretinol|Retinol, acetate|Retinol, acetate, all-trans-|retinyl acetate|Retinyl acetate, all-trans-|Retinylacetat|trans-Retinol acetate|trans-Retinyl acetate|UNII-3LE3D9D6OY|Vitamin A acetate|Vitamin A alcohol acetate|Vitamin A ester|Vitamin A1 acetate|11098-51-4|13116-20-6|7095-40-1|80180-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021240
ARPathway2016 ARPathway2016_48 Retinol acetate 127-47-9 DTXSID6021240 FLAG: Wrong direction (Hit/No hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0649 Unitless CC(=O)OCC=C(/C)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol acetate 127-47-9|Retinol acetate|Acetate de retinyle|ACETATE, RETINOL|acetato de retinilo|all-trans-Retinol acetate|all-trans-Retinyl acetate|all-trans-Retinylacetate|all-trans-Vitamin A acetate|BRN 1915439|Crystalets|Davitan A 650|EINECS 204-844-2|Myvak|Myvax|NSC 122045|NSC 122760|O(15)-acetylretinol|Retinol, acetate|Retinol, acetate, all-trans-|retinyl acetate|Retinyl acetate, all-trans-|Retinylacetat|trans-Retinol acetate|trans-Retinyl acetate|UNII-3LE3D9D6OY|Vitamin A acetate|Vitamin A alcohol acetate|Vitamin A ester|Vitamin A1 acetate|11098-51-4|13116-20-6|7095-40-1|80180-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021240
ARPathway2016 ARPathway2016_48 Retinol acetate 127-47-9 DTXSID6021240 FLAG: Wrong direction (Hit/No hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)OCC=C(/C)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol acetate 127-47-9|Retinol acetate|Acetate de retinyle|ACETATE, RETINOL|acetato de retinilo|all-trans-Retinol acetate|all-trans-Retinyl acetate|all-trans-Retinylacetate|all-trans-Vitamin A acetate|BRN 1915439|Crystalets|Davitan A 650|EINECS 204-844-2|Myvak|Myvax|NSC 122045|NSC 122760|O(15)-acetylretinol|Retinol, acetate|Retinol, acetate, all-trans-|retinyl acetate|Retinyl acetate, all-trans-|Retinylacetat|trans-Retinol acetate|trans-Retinyl acetate|UNII-3LE3D9D6OY|Vitamin A acetate|Vitamin A alcohol acetate|Vitamin A ester|Vitamin A1 acetate|11098-51-4|13116-20-6|7095-40-1|80180-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021240
ARPathway2016 ARPathway2016_48 Retinol acetate 127-47-9 DTXSID6021240 FLAG: Wrong direction (Hit/No hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(=O)OCC=C(/C)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol acetate 127-47-9|Retinol acetate|Acetate de retinyle|ACETATE, RETINOL|acetato de retinilo|all-trans-Retinol acetate|all-trans-Retinyl acetate|all-trans-Retinylacetate|all-trans-Vitamin A acetate|BRN 1915439|Crystalets|Davitan A 650|EINECS 204-844-2|Myvak|Myvax|NSC 122045|NSC 122760|O(15)-acetylretinol|Retinol, acetate|Retinol, acetate, all-trans-|retinyl acetate|Retinyl acetate, all-trans-|Retinylacetat|trans-Retinol acetate|trans-Retinyl acetate|UNII-3LE3D9D6OY|Vitamin A acetate|Vitamin A alcohol acetate|Vitamin A ester|Vitamin A1 acetate|11098-51-4|13116-20-6|7095-40-1|80180-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021240
ARPathway2016 ARPathway2016_48 Retinol acetate 127-47-9 DTXSID6021240 FLAG: Wrong direction (Hit/No hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)OCC=C(/C)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol acetate 127-47-9|Retinol acetate|Acetate de retinyle|ACETATE, RETINOL|acetato de retinilo|all-trans-Retinol acetate|all-trans-Retinyl acetate|all-trans-Retinylacetate|all-trans-Vitamin A acetate|BRN 1915439|Crystalets|Davitan A 650|EINECS 204-844-2|Myvak|Myvax|NSC 122045|NSC 122760|O(15)-acetylretinol|Retinol, acetate|Retinol, acetate, all-trans-|retinyl acetate|Retinyl acetate, all-trans-|Retinylacetat|trans-Retinol acetate|trans-Retinyl acetate|UNII-3LE3D9D6OY|Vitamin A acetate|Vitamin A alcohol acetate|Vitamin A ester|Vitamin A1 acetate|11098-51-4|13116-20-6|7095-40-1|80180-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021240
ERPathway2016 ERPathway2016_1263 Retinol acetate 127-47-9 DTXSID6021240 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)OCC=C(/C)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol acetate 127-47-9|Retinol acetate|Acetate de retinyle|ACETATE, RETINOL|acetato de retinilo|all-trans-Retinol acetate|all-trans-Retinyl acetate|all-trans-Retinylacetate|all-trans-Vitamin A acetate|BRN 1915439|Crystalets|Davitan A 650|EINECS 204-844-2|Myvak|Myvax|NSC 122045|NSC 122760|O(15)-acetylretinol|Retinol, acetate|Retinol, acetate, all-trans-|retinyl acetate|Retinyl acetate, all-trans-|Retinylacetat|trans-Retinol acetate|trans-Retinyl acetate|UNII-3LE3D9D6OY|Vitamin A acetate|Vitamin A alcohol acetate|Vitamin A ester|Vitamin A1 acetate|11098-51-4|13116-20-6|7095-40-1|80180-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021240
ERPathway2016 ERPathway2016_1263 Retinol acetate 127-47-9 DTXSID6021240 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OCC=C(/C)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol acetate 127-47-9|Retinol acetate|Acetate de retinyle|ACETATE, RETINOL|acetato de retinilo|all-trans-Retinol acetate|all-trans-Retinyl acetate|all-trans-Retinylacetate|all-trans-Vitamin A acetate|BRN 1915439|Crystalets|Davitan A 650|EINECS 204-844-2|Myvak|Myvax|NSC 122045|NSC 122760|O(15)-acetylretinol|Retinol, acetate|Retinol, acetate, all-trans-|retinyl acetate|Retinyl acetate, all-trans-|Retinylacetat|trans-Retinol acetate|trans-Retinyl acetate|UNII-3LE3D9D6OY|Vitamin A acetate|Vitamin A alcohol acetate|Vitamin A ester|Vitamin A1 acetate|11098-51-4|13116-20-6|7095-40-1|80180-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021240
ERPathway2016 ERPathway2016_1263 Retinol acetate 127-47-9 DTXSID6021240 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)OCC=C(/C)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol acetate 127-47-9|Retinol acetate|Acetate de retinyle|ACETATE, RETINOL|acetato de retinilo|all-trans-Retinol acetate|all-trans-Retinyl acetate|all-trans-Retinylacetate|all-trans-Vitamin A acetate|BRN 1915439|Crystalets|Davitan A 650|EINECS 204-844-2|Myvak|Myvax|NSC 122045|NSC 122760|O(15)-acetylretinol|Retinol, acetate|Retinol, acetate, all-trans-|retinyl acetate|Retinyl acetate, all-trans-|Retinylacetat|trans-Retinol acetate|trans-Retinyl acetate|UNII-3LE3D9D6OY|Vitamin A acetate|Vitamin A alcohol acetate|Vitamin A ester|Vitamin A1 acetate|11098-51-4|13116-20-6|7095-40-1|80180-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021240
ERPathway2016 ERPathway2016_1263 Retinol acetate 127-47-9 DTXSID6021240 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)OCC=C(/C)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C Retinol acetate 127-47-9|Retinol acetate|Acetate de retinyle|ACETATE, RETINOL|acetato de retinilo|all-trans-Retinol acetate|all-trans-Retinyl acetate|all-trans-Retinylacetate|all-trans-Vitamin A acetate|BRN 1915439|Crystalets|Davitan A 650|EINECS 204-844-2|Myvak|Myvax|NSC 122045|NSC 122760|O(15)-acetylretinol|Retinol, acetate|Retinol, acetate, all-trans-|retinyl acetate|Retinyl acetate, all-trans-|Retinylacetat|trans-Retinol acetate|trans-Retinyl acetate|UNII-3LE3D9D6OY|Vitamin A acetate|Vitamin A alcohol acetate|Vitamin A ester|Vitamin A1 acetate|11098-51-4|13116-20-6|7095-40-1|80180-27-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021240
ARPathway2016 ARPathway2016_325 Rhodamine 6G 989-38-8 DTXSID1021243 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 11.97684311 uM [Cl-].CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(=C2C=C1C)C1=C(C=CC=C1)C(=O)OCC Rhodamine 6G 989-38-8|Rhodamine 6G|2-[6-(Ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid ethyl ester monohydrochloride|9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium, chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthyliumchlorid|Aizen Rhodamine 6GCP|Basic Red 1|Basic Rhodamine Yellow|Basic Rhodaminic Yellow|Basonyl Red 482|Basonyl Red 483|Benzoic acid, 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)-, ethyl ester, monohydrochloride|Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|C.I. basic red 001|C.I. BASIC RED 1|C.I. Basic Red 1, monohydrochloride|Calcozine Red 6G|Calcozine Rhodamine 6GX|Cerven zasadita 1|Chlorure de 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium|CI Basic Red 1|CI Ba|1021498-98-5|102395-11-9|1173373-14-2|1228661-69-5|126371-14-0|136590-25-5|160336-35-6|162887-53-8|201799-71-5|226555-16-4|232598-90-2|23479-08-5|37317-74-1|539820-31-0|66796-55-2|79818-96-5|82853-32-5|88491-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021243 https://doi.org/10.22427/NTP-DATA-DTXSID1021243
ARPathway2016 ARPathway2016_325 Rhodamine 6G 989-38-8 DTXSID1021243 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 0.153076124 uM [Cl-].CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(=C2C=C1C)C1=C(C=CC=C1)C(=O)OCC Rhodamine 6G 989-38-8|Rhodamine 6G|2-[6-(Ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid ethyl ester monohydrochloride|9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium, chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthyliumchlorid|Aizen Rhodamine 6GCP|Basic Red 1|Basic Rhodamine Yellow|Basic Rhodaminic Yellow|Basonyl Red 482|Basonyl Red 483|Benzoic acid, 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)-, ethyl ester, monohydrochloride|Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|C.I. basic red 001|C.I. BASIC RED 1|C.I. Basic Red 1, monohydrochloride|Calcozine Red 6G|Calcozine Rhodamine 6GX|Cerven zasadita 1|Chlorure de 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium|CI Basic Red 1|CI Ba|1021498-98-5|102395-11-9|1173373-14-2|1228661-69-5|126371-14-0|136590-25-5|160336-35-6|162887-53-8|201799-71-5|226555-16-4|232598-90-2|23479-08-5|37317-74-1|539820-31-0|66796-55-2|79818-96-5|82853-32-5|88491-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021243 https://doi.org/10.22427/NTP-DATA-DTXSID1021243
ARPathway2016 ARPathway2016_325 Rhodamine 6G 989-38-8 DTXSID1021243 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.528 Unitless [Cl-].CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(=C2C=C1C)C1=C(C=CC=C1)C(=O)OCC Rhodamine 6G 989-38-8|Rhodamine 6G|2-[6-(Ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid ethyl ester monohydrochloride|9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium, chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthyliumchlorid|Aizen Rhodamine 6GCP|Basic Red 1|Basic Rhodamine Yellow|Basic Rhodaminic Yellow|Basonyl Red 482|Basonyl Red 483|Benzoic acid, 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)-, ethyl ester, monohydrochloride|Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|C.I. basic red 001|C.I. BASIC RED 1|C.I. Basic Red 1, monohydrochloride|Calcozine Red 6G|Calcozine Rhodamine 6GX|Cerven zasadita 1|Chlorure de 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium|CI Basic Red 1|CI Ba|1021498-98-5|102395-11-9|1173373-14-2|1228661-69-5|126371-14-0|136590-25-5|160336-35-6|162887-53-8|201799-71-5|226555-16-4|232598-90-2|23479-08-5|37317-74-1|539820-31-0|66796-55-2|79818-96-5|82853-32-5|88491-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021243 https://doi.org/10.22427/NTP-DATA-DTXSID1021243
ARPathway2016 ARPathway2016_325 Rhodamine 6G 989-38-8 DTXSID1021243 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [Cl-].CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(=C2C=C1C)C1=C(C=CC=C1)C(=O)OCC Rhodamine 6G 989-38-8|Rhodamine 6G|2-[6-(Ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid ethyl ester monohydrochloride|9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium, chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthyliumchlorid|Aizen Rhodamine 6GCP|Basic Red 1|Basic Rhodamine Yellow|Basic Rhodaminic Yellow|Basonyl Red 482|Basonyl Red 483|Benzoic acid, 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)-, ethyl ester, monohydrochloride|Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|C.I. basic red 001|C.I. BASIC RED 1|C.I. Basic Red 1, monohydrochloride|Calcozine Red 6G|Calcozine Rhodamine 6GX|Cerven zasadita 1|Chlorure de 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium|CI Basic Red 1|CI Ba|1021498-98-5|102395-11-9|1173373-14-2|1228661-69-5|126371-14-0|136590-25-5|160336-35-6|162887-53-8|201799-71-5|226555-16-4|232598-90-2|23479-08-5|37317-74-1|539820-31-0|66796-55-2|79818-96-5|82853-32-5|88491-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021243 https://doi.org/10.22427/NTP-DATA-DTXSID1021243
ARPathway2016 ARPathway2016_325 Rhodamine 6G 989-38-8 DTXSID1021243 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Cl-].CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(=C2C=C1C)C1=C(C=CC=C1)C(=O)OCC Rhodamine 6G 989-38-8|Rhodamine 6G|2-[6-(Ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid ethyl ester monohydrochloride|9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium, chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthyliumchlorid|Aizen Rhodamine 6GCP|Basic Red 1|Basic Rhodamine Yellow|Basic Rhodaminic Yellow|Basonyl Red 482|Basonyl Red 483|Benzoic acid, 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)-, ethyl ester, monohydrochloride|Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|C.I. basic red 001|C.I. BASIC RED 1|C.I. Basic Red 1, monohydrochloride|Calcozine Red 6G|Calcozine Rhodamine 6GX|Cerven zasadita 1|Chlorure de 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium|CI Basic Red 1|CI Ba|1021498-98-5|102395-11-9|1173373-14-2|1228661-69-5|126371-14-0|136590-25-5|160336-35-6|162887-53-8|201799-71-5|226555-16-4|232598-90-2|23479-08-5|37317-74-1|539820-31-0|66796-55-2|79818-96-5|82853-32-5|88491-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021243 https://doi.org/10.22427/NTP-DATA-DTXSID1021243
ARPathway2016 ARPathway2016_325 Rhodamine 6G 989-38-8 DTXSID1021243 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(=C2C=C1C)C1=C(C=CC=C1)C(=O)OCC Rhodamine 6G 989-38-8|Rhodamine 6G|2-[6-(Ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid ethyl ester monohydrochloride|9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium, chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthyliumchlorid|Aizen Rhodamine 6GCP|Basic Red 1|Basic Rhodamine Yellow|Basic Rhodaminic Yellow|Basonyl Red 482|Basonyl Red 483|Benzoic acid, 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)-, ethyl ester, monohydrochloride|Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|C.I. basic red 001|C.I. BASIC RED 1|C.I. Basic Red 1, monohydrochloride|Calcozine Red 6G|Calcozine Rhodamine 6GX|Cerven zasadita 1|Chlorure de 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium|CI Basic Red 1|CI Ba|1021498-98-5|102395-11-9|1173373-14-2|1228661-69-5|126371-14-0|136590-25-5|160336-35-6|162887-53-8|201799-71-5|226555-16-4|232598-90-2|23479-08-5|37317-74-1|539820-31-0|66796-55-2|79818-96-5|82853-32-5|88491-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021243 https://doi.org/10.22427/NTP-DATA-DTXSID1021243
ERPathway2016 ERPathway2016_119 Rhodamine 6G 989-38-8 DTXSID1021243 Antagonist ER Pathway Model, Agonist AC50 6.46280698601278 uM [Cl-].CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(=C2C=C1C)C1=C(C=CC=C1)C(=O)OCC Rhodamine 6G 989-38-8|Rhodamine 6G|2-[6-(Ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid ethyl ester monohydrochloride|9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium, chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthyliumchlorid|Aizen Rhodamine 6GCP|Basic Red 1|Basic Rhodamine Yellow|Basic Rhodaminic Yellow|Basonyl Red 482|Basonyl Red 483|Benzoic acid, 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)-, ethyl ester, monohydrochloride|Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|C.I. basic red 001|C.I. BASIC RED 1|C.I. Basic Red 1, monohydrochloride|Calcozine Red 6G|Calcozine Rhodamine 6GX|Cerven zasadita 1|Chlorure de 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium|CI Basic Red 1|CI Ba|1021498-98-5|102395-11-9|1173373-14-2|1228661-69-5|126371-14-0|136590-25-5|160336-35-6|162887-53-8|201799-71-5|226555-16-4|232598-90-2|23479-08-5|37317-74-1|539820-31-0|66796-55-2|79818-96-5|82853-32-5|88491-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021243 https://doi.org/10.22427/NTP-DATA-DTXSID1021243
ERPathway2016 ERPathway2016_119 Rhodamine 6G 989-38-8 DTXSID1021243 Antagonist ER Pathway Model, Agonist ACC 1.81604039146967 uM [Cl-].CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(=C2C=C1C)C1=C(C=CC=C1)C(=O)OCC Rhodamine 6G 989-38-8|Rhodamine 6G|2-[6-(Ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid ethyl ester monohydrochloride|9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium, chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthyliumchlorid|Aizen Rhodamine 6GCP|Basic Red 1|Basic Rhodamine Yellow|Basic Rhodaminic Yellow|Basonyl Red 482|Basonyl Red 483|Benzoic acid, 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)-, ethyl ester, monohydrochloride|Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|C.I. basic red 001|C.I. BASIC RED 1|C.I. Basic Red 1, monohydrochloride|Calcozine Red 6G|Calcozine Rhodamine 6GX|Cerven zasadita 1|Chlorure de 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium|CI Basic Red 1|CI Ba|1021498-98-5|102395-11-9|1173373-14-2|1228661-69-5|126371-14-0|136590-25-5|160336-35-6|162887-53-8|201799-71-5|226555-16-4|232598-90-2|23479-08-5|37317-74-1|539820-31-0|66796-55-2|79818-96-5|82853-32-5|88491-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021243 https://doi.org/10.22427/NTP-DATA-DTXSID1021243
ERPathway2016 ERPathway2016_119 Rhodamine 6G 989-38-8 DTXSID1021243 Antagonist ER Pathway Model, Agonist Model Score 0 Unitless [Cl-].CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(=C2C=C1C)C1=C(C=CC=C1)C(=O)OCC Rhodamine 6G 989-38-8|Rhodamine 6G|2-[6-(Ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid ethyl ester monohydrochloride|9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium, chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthyliumchlorid|Aizen Rhodamine 6GCP|Basic Red 1|Basic Rhodamine Yellow|Basic Rhodaminic Yellow|Basonyl Red 482|Basonyl Red 483|Benzoic acid, 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)-, ethyl ester, monohydrochloride|Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|C.I. basic red 001|C.I. BASIC RED 1|C.I. Basic Red 1, monohydrochloride|Calcozine Red 6G|Calcozine Rhodamine 6GX|Cerven zasadita 1|Chlorure de 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium|CI Basic Red 1|CI Ba|1021498-98-5|102395-11-9|1173373-14-2|1228661-69-5|126371-14-0|136590-25-5|160336-35-6|162887-53-8|201799-71-5|226555-16-4|232598-90-2|23479-08-5|37317-74-1|539820-31-0|66796-55-2|79818-96-5|82853-32-5|88491-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021243 https://doi.org/10.22427/NTP-DATA-DTXSID1021243
ERPathway2016 ERPathway2016_119 Rhodamine 6G 989-38-8 DTXSID1021243 Antagonist ER Pathway Model, Antagonist Model Score 0.158 Unitless [Cl-].CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(=C2C=C1C)C1=C(C=CC=C1)C(=O)OCC Rhodamine 6G 989-38-8|Rhodamine 6G|2-[6-(Ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid ethyl ester monohydrochloride|9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium, chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthyliumchlorid|Aizen Rhodamine 6GCP|Basic Red 1|Basic Rhodamine Yellow|Basic Rhodaminic Yellow|Basonyl Red 482|Basonyl Red 483|Benzoic acid, 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)-, ethyl ester, monohydrochloride|Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|C.I. basic red 001|C.I. BASIC RED 1|C.I. Basic Red 1, monohydrochloride|Calcozine Red 6G|Calcozine Rhodamine 6GX|Cerven zasadita 1|Chlorure de 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium|CI Basic Red 1|CI Ba|1021498-98-5|102395-11-9|1173373-14-2|1228661-69-5|126371-14-0|136590-25-5|160336-35-6|162887-53-8|201799-71-5|226555-16-4|232598-90-2|23479-08-5|37317-74-1|539820-31-0|66796-55-2|79818-96-5|82853-32-5|88491-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021243 https://doi.org/10.22427/NTP-DATA-DTXSID1021243
ERPathway2016 ERPathway2016_119 Rhodamine 6G 989-38-8 DTXSID1021243 Antagonist ER Pathway Model, Agonist Call Active Unitless [Cl-].CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(=C2C=C1C)C1=C(C=CC=C1)C(=O)OCC Rhodamine 6G 989-38-8|Rhodamine 6G|2-[6-(Ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid ethyl ester monohydrochloride|9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium, chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthyliumchlorid|Aizen Rhodamine 6GCP|Basic Red 1|Basic Rhodamine Yellow|Basic Rhodaminic Yellow|Basonyl Red 482|Basonyl Red 483|Benzoic acid, 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)-, ethyl ester, monohydrochloride|Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|C.I. basic red 001|C.I. BASIC RED 1|C.I. Basic Red 1, monohydrochloride|Calcozine Red 6G|Calcozine Rhodamine 6GX|Cerven zasadita 1|Chlorure de 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium|CI Basic Red 1|CI Ba|1021498-98-5|102395-11-9|1173373-14-2|1228661-69-5|126371-14-0|136590-25-5|160336-35-6|162887-53-8|201799-71-5|226555-16-4|232598-90-2|23479-08-5|37317-74-1|539820-31-0|66796-55-2|79818-96-5|82853-32-5|88491-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021243 https://doi.org/10.22427/NTP-DATA-DTXSID1021243
ERPathway2016 ERPathway2016_119 Rhodamine 6G 989-38-8 DTXSID1021243 Antagonist ER Pathway Model, Antagonist Call Inactive Unitless [Cl-].CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(=C2C=C1C)C1=C(C=CC=C1)C(=O)OCC Rhodamine 6G 989-38-8|Rhodamine 6G|2-[6-(Ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid ethyl ester monohydrochloride|9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium, chloride|9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthyliumchlorid|Aizen Rhodamine 6GCP|Basic Red 1|Basic Rhodamine Yellow|Basic Rhodaminic Yellow|Basonyl Red 482|Basonyl Red 483|Benzoic acid, 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)-, ethyl ester, monohydrochloride|Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride|C.I. basic red 001|C.I. BASIC RED 1|C.I. Basic Red 1, monohydrochloride|Calcozine Red 6G|Calcozine Rhodamine 6GX|Cerven zasadita 1|Chlorure de 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium|CI Basic Red 1|CI Ba|1021498-98-5|102395-11-9|1173373-14-2|1228661-69-5|126371-14-0|136590-25-5|160336-35-6|162887-53-8|201799-71-5|226555-16-4|232598-90-2|23479-08-5|37317-74-1|539820-31-0|66796-55-2|79818-96-5|82853-32-5|88491-15-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021243 https://doi.org/10.22427/NTP-DATA-DTXSID1021243
ARPathway2016 ARPathway2016_290 Rhodamine B 81-88-9 DTXSID6042369 FLAG: Antagonist shift, but CI overlap 2.0 A10 AR Pathway Model, Agonist AC50 61.44870305 uM [Cl-].CCN(CC)C1=CC2=[O+]C3=C(C=CC(=C3)N(CC)CC)C(=C2C=C1)C1=C(C=CC=C1)C(O)=O Rhodamine B 81-88-9|Rhodamine B|(9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene) diethylammonium chloride|[9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethylammonium chloride|201-383-9|3,6-DIAMINO-N,N'-TETRAAETHYLFLUORAN CHLORID|9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINE)- XANTHYLIUM CHLORIDE|9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride|9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthyliumchlorid|9-O-Carboxyphenyl-6-diethylamino-3-ethylimino-3-isoxanthene, 3-ethochloride|Acid Brilliant Pink B|ADC Rhodamine B|Aizen Rhodamine B|Aizen Rhodamine BH|Aizen Rhodamine BHC|Akiriku Rhodamine B|Ammonium, [9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride|Basazol Red 71P|Basic Rose Extract|Basic Rose Red|BASIC VIOLET 10|Basonyl Red 540|Basonyl Red 545|Basonyl Red 545FL|Brilliant Pink B|C.I. 45170|C.I. basic violet 010|C.I. Basic Violet 10|C.I. BASIC VIOLET 10, (XANTHYLIUM, 9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINO)-, CHLORIDE)|C.I. Food Red 15|C.I. No. 45170|Calcozine Red BX|Calcozine Rhod|1023342-65-5|1051370-49-0|105480-59-9|11111-29-8|1118426-88-2|1236042-79-7|1394971-11-9|17181-58-7|1773488-62-2|1825993-87-0|2254248-91-2|248928-56-5|3521-79-7|408346-58-7|412909-17-2|433215-26-0|53664-59-8|539821-35-7|69319-23-9|850856-47-2|859039-47-7|86513-49-7|86893-15-4|875572-56-8|918962-66-0|925914-34-7|956491-27-3|96119-80-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042369
ARPathway2016 ARPathway2016_290 Rhodamine B 81-88-9 DTXSID6042369 FLAG: Antagonist shift, but CI overlap 2.0 A10 AR Pathway Model, Agonist ACC 66.5271815031104 uM [Cl-].CCN(CC)C1=CC2=[O+]C3=C(C=CC(=C3)N(CC)CC)C(=C2C=C1)C1=C(C=CC=C1)C(O)=O Rhodamine B 81-88-9|Rhodamine B|(9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene) diethylammonium chloride|[9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethylammonium chloride|201-383-9|3,6-DIAMINO-N,N'-TETRAAETHYLFLUORAN CHLORID|9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINE)- XANTHYLIUM CHLORIDE|9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride|9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthyliumchlorid|9-O-Carboxyphenyl-6-diethylamino-3-ethylimino-3-isoxanthene, 3-ethochloride|Acid Brilliant Pink B|ADC Rhodamine B|Aizen Rhodamine B|Aizen Rhodamine BH|Aizen Rhodamine BHC|Akiriku Rhodamine B|Ammonium, [9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride|Basazol Red 71P|Basic Rose Extract|Basic Rose Red|BASIC VIOLET 10|Basonyl Red 540|Basonyl Red 545|Basonyl Red 545FL|Brilliant Pink B|C.I. 45170|C.I. basic violet 010|C.I. Basic Violet 10|C.I. BASIC VIOLET 10, (XANTHYLIUM, 9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINO)-, CHLORIDE)|C.I. Food Red 15|C.I. No. 45170|Calcozine Red BX|Calcozine Rhod|1023342-65-5|1051370-49-0|105480-59-9|11111-29-8|1118426-88-2|1236042-79-7|1394971-11-9|17181-58-7|1773488-62-2|1825993-87-0|2254248-91-2|248928-56-5|3521-79-7|408346-58-7|412909-17-2|433215-26-0|53664-59-8|539821-35-7|69319-23-9|850856-47-2|859039-47-7|86513-49-7|86893-15-4|875572-56-8|918962-66-0|925914-34-7|956491-27-3|96119-80-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042369
ARPathway2016 ARPathway2016_290 Rhodamine B 81-88-9 DTXSID6042369 FLAG: Antagonist shift, but CI overlap 2.0 A10 AR Pathway Model, Antagonist Model Score 0.0419 Unitless [Cl-].CCN(CC)C1=CC2=[O+]C3=C(C=CC(=C3)N(CC)CC)C(=C2C=C1)C1=C(C=CC=C1)C(O)=O Rhodamine B 81-88-9|Rhodamine B|(9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene) diethylammonium chloride|[9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethylammonium chloride|201-383-9|3,6-DIAMINO-N,N'-TETRAAETHYLFLUORAN CHLORID|9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINE)- XANTHYLIUM CHLORIDE|9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride|9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthyliumchlorid|9-O-Carboxyphenyl-6-diethylamino-3-ethylimino-3-isoxanthene, 3-ethochloride|Acid Brilliant Pink B|ADC Rhodamine B|Aizen Rhodamine B|Aizen Rhodamine BH|Aizen Rhodamine BHC|Akiriku Rhodamine B|Ammonium, [9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride|Basazol Red 71P|Basic Rose Extract|Basic Rose Red|BASIC VIOLET 10|Basonyl Red 540|Basonyl Red 545|Basonyl Red 545FL|Brilliant Pink B|C.I. 45170|C.I. basic violet 010|C.I. Basic Violet 10|C.I. BASIC VIOLET 10, (XANTHYLIUM, 9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINO)-, CHLORIDE)|C.I. Food Red 15|C.I. No. 45170|Calcozine Red BX|Calcozine Rhod|1023342-65-5|1051370-49-0|105480-59-9|11111-29-8|1118426-88-2|1236042-79-7|1394971-11-9|17181-58-7|1773488-62-2|1825993-87-0|2254248-91-2|248928-56-5|3521-79-7|408346-58-7|412909-17-2|433215-26-0|53664-59-8|539821-35-7|69319-23-9|850856-47-2|859039-47-7|86513-49-7|86893-15-4|875572-56-8|918962-66-0|925914-34-7|956491-27-3|96119-80-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042369
ARPathway2016 ARPathway2016_290 Rhodamine B 81-88-9 DTXSID6042369 FLAG: Antagonist shift, but CI overlap 2.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless [Cl-].CCN(CC)C1=CC2=[O+]C3=C(C=CC(=C3)N(CC)CC)C(=C2C=C1)C1=C(C=CC=C1)C(O)=O Rhodamine B 81-88-9|Rhodamine B|(9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene) diethylammonium chloride|[9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethylammonium chloride|201-383-9|3,6-DIAMINO-N,N'-TETRAAETHYLFLUORAN CHLORID|9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINE)- XANTHYLIUM CHLORIDE|9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride|9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthyliumchlorid|9-O-Carboxyphenyl-6-diethylamino-3-ethylimino-3-isoxanthene, 3-ethochloride|Acid Brilliant Pink B|ADC Rhodamine B|Aizen Rhodamine B|Aizen Rhodamine BH|Aizen Rhodamine BHC|Akiriku Rhodamine B|Ammonium, [9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride|Basazol Red 71P|Basic Rose Extract|Basic Rose Red|BASIC VIOLET 10|Basonyl Red 540|Basonyl Red 545|Basonyl Red 545FL|Brilliant Pink B|C.I. 45170|C.I. basic violet 010|C.I. Basic Violet 10|C.I. BASIC VIOLET 10, (XANTHYLIUM, 9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINO)-, CHLORIDE)|C.I. Food Red 15|C.I. No. 45170|Calcozine Red BX|Calcozine Rhod|1023342-65-5|1051370-49-0|105480-59-9|11111-29-8|1118426-88-2|1236042-79-7|1394971-11-9|17181-58-7|1773488-62-2|1825993-87-0|2254248-91-2|248928-56-5|3521-79-7|408346-58-7|412909-17-2|433215-26-0|53664-59-8|539821-35-7|69319-23-9|850856-47-2|859039-47-7|86513-49-7|86893-15-4|875572-56-8|918962-66-0|925914-34-7|956491-27-3|96119-80-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042369
ARPathway2016 ARPathway2016_290 Rhodamine B 81-88-9 DTXSID6042369 FLAG: Antagonist shift, but CI overlap 2.0 A10 AR Pathway Model, Agonist Call Active Unitless [Cl-].CCN(CC)C1=CC2=[O+]C3=C(C=CC(=C3)N(CC)CC)C(=C2C=C1)C1=C(C=CC=C1)C(O)=O Rhodamine B 81-88-9|Rhodamine B|(9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene) diethylammonium chloride|[9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethylammonium chloride|201-383-9|3,6-DIAMINO-N,N'-TETRAAETHYLFLUORAN CHLORID|9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINE)- XANTHYLIUM CHLORIDE|9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride|9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthyliumchlorid|9-O-Carboxyphenyl-6-diethylamino-3-ethylimino-3-isoxanthene, 3-ethochloride|Acid Brilliant Pink B|ADC Rhodamine B|Aizen Rhodamine B|Aizen Rhodamine BH|Aizen Rhodamine BHC|Akiriku Rhodamine B|Ammonium, [9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride|Basazol Red 71P|Basic Rose Extract|Basic Rose Red|BASIC VIOLET 10|Basonyl Red 540|Basonyl Red 545|Basonyl Red 545FL|Brilliant Pink B|C.I. 45170|C.I. basic violet 010|C.I. Basic Violet 10|C.I. BASIC VIOLET 10, (XANTHYLIUM, 9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINO)-, CHLORIDE)|C.I. Food Red 15|C.I. No. 45170|Calcozine Red BX|Calcozine Rhod|1023342-65-5|1051370-49-0|105480-59-9|11111-29-8|1118426-88-2|1236042-79-7|1394971-11-9|17181-58-7|1773488-62-2|1825993-87-0|2254248-91-2|248928-56-5|3521-79-7|408346-58-7|412909-17-2|433215-26-0|53664-59-8|539821-35-7|69319-23-9|850856-47-2|859039-47-7|86513-49-7|86893-15-4|875572-56-8|918962-66-0|925914-34-7|956491-27-3|96119-80-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042369
ARPathway2016 ARPathway2016_290 Rhodamine B 81-88-9 DTXSID6042369 FLAG: Antagonist shift, but CI overlap 2.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].CCN(CC)C1=CC2=[O+]C3=C(C=CC(=C3)N(CC)CC)C(=C2C=C1)C1=C(C=CC=C1)C(O)=O Rhodamine B 81-88-9|Rhodamine B|(9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene) diethylammonium chloride|[9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethylammonium chloride|201-383-9|3,6-DIAMINO-N,N'-TETRAAETHYLFLUORAN CHLORID|9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINE)- XANTHYLIUM CHLORIDE|9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride|9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthyliumchlorid|9-O-Carboxyphenyl-6-diethylamino-3-ethylimino-3-isoxanthene, 3-ethochloride|Acid Brilliant Pink B|ADC Rhodamine B|Aizen Rhodamine B|Aizen Rhodamine BH|Aizen Rhodamine BHC|Akiriku Rhodamine B|Ammonium, [9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride|Basazol Red 71P|Basic Rose Extract|Basic Rose Red|BASIC VIOLET 10|Basonyl Red 540|Basonyl Red 545|Basonyl Red 545FL|Brilliant Pink B|C.I. 45170|C.I. basic violet 010|C.I. Basic Violet 10|C.I. BASIC VIOLET 10, (XANTHYLIUM, 9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINO)-, CHLORIDE)|C.I. Food Red 15|C.I. No. 45170|Calcozine Red BX|Calcozine Rhod|1023342-65-5|1051370-49-0|105480-59-9|11111-29-8|1118426-88-2|1236042-79-7|1394971-11-9|17181-58-7|1773488-62-2|1825993-87-0|2254248-91-2|248928-56-5|3521-79-7|408346-58-7|412909-17-2|433215-26-0|53664-59-8|539821-35-7|69319-23-9|850856-47-2|859039-47-7|86513-49-7|86893-15-4|875572-56-8|918962-66-0|925914-34-7|956491-27-3|96119-80-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042369
ERPathway2016 ERPathway2016_969 Rhodamine B 81-88-9 DTXSID6042369 ER Pathway Model, Agonist Model Score 0 Unitless [Cl-].CCN(CC)C1=CC2=[O+]C3=C(C=CC(=C3)N(CC)CC)C(=C2C=C1)C1=C(C=CC=C1)C(O)=O Rhodamine B 81-88-9|Rhodamine B|(9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene) diethylammonium chloride|[9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethylammonium chloride|201-383-9|3,6-DIAMINO-N,N'-TETRAAETHYLFLUORAN CHLORID|9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINE)- XANTHYLIUM CHLORIDE|9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride|9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthyliumchlorid|9-O-Carboxyphenyl-6-diethylamino-3-ethylimino-3-isoxanthene, 3-ethochloride|Acid Brilliant Pink B|ADC Rhodamine B|Aizen Rhodamine B|Aizen Rhodamine BH|Aizen Rhodamine BHC|Akiriku Rhodamine B|Ammonium, [9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride|Basazol Red 71P|Basic Rose Extract|Basic Rose Red|BASIC VIOLET 10|Basonyl Red 540|Basonyl Red 545|Basonyl Red 545FL|Brilliant Pink B|C.I. 45170|C.I. basic violet 010|C.I. Basic Violet 10|C.I. BASIC VIOLET 10, (XANTHYLIUM, 9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINO)-, CHLORIDE)|C.I. Food Red 15|C.I. No. 45170|Calcozine Red BX|Calcozine Rhod|1023342-65-5|1051370-49-0|105480-59-9|11111-29-8|1118426-88-2|1236042-79-7|1394971-11-9|17181-58-7|1773488-62-2|1825993-87-0|2254248-91-2|248928-56-5|3521-79-7|408346-58-7|412909-17-2|433215-26-0|53664-59-8|539821-35-7|69319-23-9|850856-47-2|859039-47-7|86513-49-7|86893-15-4|875572-56-8|918962-66-0|925914-34-7|956491-27-3|96119-80-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042369
ERPathway2016 ERPathway2016_969 Rhodamine B 81-88-9 DTXSID6042369 ER Pathway Model, Antagonist Model Score 0 Unitless [Cl-].CCN(CC)C1=CC2=[O+]C3=C(C=CC(=C3)N(CC)CC)C(=C2C=C1)C1=C(C=CC=C1)C(O)=O Rhodamine B 81-88-9|Rhodamine B|(9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene) diethylammonium chloride|[9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethylammonium chloride|201-383-9|3,6-DIAMINO-N,N'-TETRAAETHYLFLUORAN CHLORID|9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINE)- XANTHYLIUM CHLORIDE|9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride|9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthyliumchlorid|9-O-Carboxyphenyl-6-diethylamino-3-ethylimino-3-isoxanthene, 3-ethochloride|Acid Brilliant Pink B|ADC Rhodamine B|Aizen Rhodamine B|Aizen Rhodamine BH|Aizen Rhodamine BHC|Akiriku Rhodamine B|Ammonium, [9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride|Basazol Red 71P|Basic Rose Extract|Basic Rose Red|BASIC VIOLET 10|Basonyl Red 540|Basonyl Red 545|Basonyl Red 545FL|Brilliant Pink B|C.I. 45170|C.I. basic violet 010|C.I. Basic Violet 10|C.I. BASIC VIOLET 10, (XANTHYLIUM, 9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINO)-, CHLORIDE)|C.I. Food Red 15|C.I. No. 45170|Calcozine Red BX|Calcozine Rhod|1023342-65-5|1051370-49-0|105480-59-9|11111-29-8|1118426-88-2|1236042-79-7|1394971-11-9|17181-58-7|1773488-62-2|1825993-87-0|2254248-91-2|248928-56-5|3521-79-7|408346-58-7|412909-17-2|433215-26-0|53664-59-8|539821-35-7|69319-23-9|850856-47-2|859039-47-7|86513-49-7|86893-15-4|875572-56-8|918962-66-0|925914-34-7|956491-27-3|96119-80-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042369
ERPathway2016 ERPathway2016_969 Rhodamine B 81-88-9 DTXSID6042369 ER Pathway Model, Agonist Call Inactive Unitless [Cl-].CCN(CC)C1=CC2=[O+]C3=C(C=CC(=C3)N(CC)CC)C(=C2C=C1)C1=C(C=CC=C1)C(O)=O Rhodamine B 81-88-9|Rhodamine B|(9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene) diethylammonium chloride|[9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethylammonium chloride|201-383-9|3,6-DIAMINO-N,N'-TETRAAETHYLFLUORAN CHLORID|9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINE)- XANTHYLIUM CHLORIDE|9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride|9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthyliumchlorid|9-O-Carboxyphenyl-6-diethylamino-3-ethylimino-3-isoxanthene, 3-ethochloride|Acid Brilliant Pink B|ADC Rhodamine B|Aizen Rhodamine B|Aizen Rhodamine BH|Aizen Rhodamine BHC|Akiriku Rhodamine B|Ammonium, [9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride|Basazol Red 71P|Basic Rose Extract|Basic Rose Red|BASIC VIOLET 10|Basonyl Red 540|Basonyl Red 545|Basonyl Red 545FL|Brilliant Pink B|C.I. 45170|C.I. basic violet 010|C.I. Basic Violet 10|C.I. BASIC VIOLET 10, (XANTHYLIUM, 9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINO)-, CHLORIDE)|C.I. Food Red 15|C.I. No. 45170|Calcozine Red BX|Calcozine Rhod|1023342-65-5|1051370-49-0|105480-59-9|11111-29-8|1118426-88-2|1236042-79-7|1394971-11-9|17181-58-7|1773488-62-2|1825993-87-0|2254248-91-2|248928-56-5|3521-79-7|408346-58-7|412909-17-2|433215-26-0|53664-59-8|539821-35-7|69319-23-9|850856-47-2|859039-47-7|86513-49-7|86893-15-4|875572-56-8|918962-66-0|925914-34-7|956491-27-3|96119-80-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042369
ERPathway2016 ERPathway2016_969 Rhodamine B 81-88-9 DTXSID6042369 ER Pathway Model, Antagonist Call Inactive Unitless [Cl-].CCN(CC)C1=CC2=[O+]C3=C(C=CC(=C3)N(CC)CC)C(=C2C=C1)C1=C(C=CC=C1)C(O)=O Rhodamine B 81-88-9|Rhodamine B|(9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene) diethylammonium chloride|[9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethylammonium chloride|201-383-9|3,6-DIAMINO-N,N'-TETRAAETHYLFLUORAN CHLORID|9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINE)- XANTHYLIUM CHLORIDE|9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride|9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthyliumchlorid|9-O-Carboxyphenyl-6-diethylamino-3-ethylimino-3-isoxanthene, 3-ethochloride|Acid Brilliant Pink B|ADC Rhodamine B|Aizen Rhodamine B|Aizen Rhodamine BH|Aizen Rhodamine BHC|Akiriku Rhodamine B|Ammonium, [9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride|Basazol Red 71P|Basic Rose Extract|Basic Rose Red|BASIC VIOLET 10|Basonyl Red 540|Basonyl Red 545|Basonyl Red 545FL|Brilliant Pink B|C.I. 45170|C.I. basic violet 010|C.I. Basic Violet 10|C.I. BASIC VIOLET 10, (XANTHYLIUM, 9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINO)-, CHLORIDE)|C.I. Food Red 15|C.I. No. 45170|Calcozine Red BX|Calcozine Rhod|1023342-65-5|1051370-49-0|105480-59-9|11111-29-8|1118426-88-2|1236042-79-7|1394971-11-9|17181-58-7|1773488-62-2|1825993-87-0|2254248-91-2|248928-56-5|3521-79-7|408346-58-7|412909-17-2|433215-26-0|53664-59-8|539821-35-7|69319-23-9|850856-47-2|859039-47-7|86513-49-7|86893-15-4|875572-56-8|918962-66-0|925914-34-7|956491-27-3|96119-80-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042369
ARPathway2016 ARPathway2016_1635 Riboflavin 83-88-5 DTXSID8021777 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(=O)NC(=O)C1=N2 Riboflavin 83-88-5|Riboflavin|(-)-Riboflavin|1-Deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-D-ribitol|1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol|6,7-Dimethyl-9-D-ribitylisoalloxazine|6,7-Dimethyl-9-ribitylisoalloxazine|7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-Benzo[g]pteridine-2,4(3H,10H)-dione|7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione|7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine|7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione|7,8-Dimethyl-10-ribitylisoalloxazine|Aqua-Flave|Beflavin|Beflavine|Benzo(g)pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-|Benzo[g]pteridine riboflavin deriv.|Benzo[g]pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-|C.I. Food Yellow 15|D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo(g)pteridin-10(2H)-yl)-|D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl|1093390-18-1|130609-39-1|535950-32-4|890044-91-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021777 https://doi.org/10.22427/NTP-DATA-DTXSID8021777
ARPathway2016 ARPathway2016_1635 Riboflavin 83-88-5 DTXSID8021777 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(=O)NC(=O)C1=N2 Riboflavin 83-88-5|Riboflavin|(-)-Riboflavin|1-Deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-D-ribitol|1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol|6,7-Dimethyl-9-D-ribitylisoalloxazine|6,7-Dimethyl-9-ribitylisoalloxazine|7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-Benzo[g]pteridine-2,4(3H,10H)-dione|7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione|7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine|7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione|7,8-Dimethyl-10-ribitylisoalloxazine|Aqua-Flave|Beflavin|Beflavine|Benzo(g)pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-|Benzo[g]pteridine riboflavin deriv.|Benzo[g]pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-|C.I. Food Yellow 15|D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo(g)pteridin-10(2H)-yl)-|D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl|1093390-18-1|130609-39-1|535950-32-4|890044-91-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021777 https://doi.org/10.22427/NTP-DATA-DTXSID8021777
ARPathway2016 ARPathway2016_1635 Riboflavin 83-88-5 DTXSID8021777 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(=O)NC(=O)C1=N2 Riboflavin 83-88-5|Riboflavin|(-)-Riboflavin|1-Deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-D-ribitol|1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol|6,7-Dimethyl-9-D-ribitylisoalloxazine|6,7-Dimethyl-9-ribitylisoalloxazine|7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-Benzo[g]pteridine-2,4(3H,10H)-dione|7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione|7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine|7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione|7,8-Dimethyl-10-ribitylisoalloxazine|Aqua-Flave|Beflavin|Beflavine|Benzo(g)pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-|Benzo[g]pteridine riboflavin deriv.|Benzo[g]pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-|C.I. Food Yellow 15|D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo(g)pteridin-10(2H)-yl)-|D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl|1093390-18-1|130609-39-1|535950-32-4|890044-91-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021777 https://doi.org/10.22427/NTP-DATA-DTXSID8021777
ARPathway2016 ARPathway2016_1635 Riboflavin 83-88-5 DTXSID8021777 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(=O)NC(=O)C1=N2 Riboflavin 83-88-5|Riboflavin|(-)-Riboflavin|1-Deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-D-ribitol|1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol|6,7-Dimethyl-9-D-ribitylisoalloxazine|6,7-Dimethyl-9-ribitylisoalloxazine|7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-Benzo[g]pteridine-2,4(3H,10H)-dione|7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione|7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine|7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione|7,8-Dimethyl-10-ribitylisoalloxazine|Aqua-Flave|Beflavin|Beflavine|Benzo(g)pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-|Benzo[g]pteridine riboflavin deriv.|Benzo[g]pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-|C.I. Food Yellow 15|D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo(g)pteridin-10(2H)-yl)-|D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl|1093390-18-1|130609-39-1|535950-32-4|890044-91-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021777 https://doi.org/10.22427/NTP-DATA-DTXSID8021777
ERPathway2016 ERPathway2016_681 Riboflavin 83-88-5 DTXSID8021777 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(=O)NC(=O)C1=N2 Riboflavin 83-88-5|Riboflavin|(-)-Riboflavin|1-Deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-D-ribitol|1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol|6,7-Dimethyl-9-D-ribitylisoalloxazine|6,7-Dimethyl-9-ribitylisoalloxazine|7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-Benzo[g]pteridine-2,4(3H,10H)-dione|7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione|7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine|7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione|7,8-Dimethyl-10-ribitylisoalloxazine|Aqua-Flave|Beflavin|Beflavine|Benzo(g)pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-|Benzo[g]pteridine riboflavin deriv.|Benzo[g]pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-|C.I. Food Yellow 15|D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo(g)pteridin-10(2H)-yl)-|D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl|1093390-18-1|130609-39-1|535950-32-4|890044-91-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021777 https://doi.org/10.22427/NTP-DATA-DTXSID8021777
ERPathway2016 ERPathway2016_681 Riboflavin 83-88-5 DTXSID8021777 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(=O)NC(=O)C1=N2 Riboflavin 83-88-5|Riboflavin|(-)-Riboflavin|1-Deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-D-ribitol|1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol|6,7-Dimethyl-9-D-ribitylisoalloxazine|6,7-Dimethyl-9-ribitylisoalloxazine|7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-Benzo[g]pteridine-2,4(3H,10H)-dione|7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione|7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine|7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione|7,8-Dimethyl-10-ribitylisoalloxazine|Aqua-Flave|Beflavin|Beflavine|Benzo(g)pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-|Benzo[g]pteridine riboflavin deriv.|Benzo[g]pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-|C.I. Food Yellow 15|D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo(g)pteridin-10(2H)-yl)-|D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl|1093390-18-1|130609-39-1|535950-32-4|890044-91-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021777 https://doi.org/10.22427/NTP-DATA-DTXSID8021777
ERPathway2016 ERPathway2016_681 Riboflavin 83-88-5 DTXSID8021777 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(=O)NC(=O)C1=N2 Riboflavin 83-88-5|Riboflavin|(-)-Riboflavin|1-Deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-D-ribitol|1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol|6,7-Dimethyl-9-D-ribitylisoalloxazine|6,7-Dimethyl-9-ribitylisoalloxazine|7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-Benzo[g]pteridine-2,4(3H,10H)-dione|7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione|7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine|7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione|7,8-Dimethyl-10-ribitylisoalloxazine|Aqua-Flave|Beflavin|Beflavine|Benzo(g)pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-|Benzo[g]pteridine riboflavin deriv.|Benzo[g]pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-|C.I. Food Yellow 15|D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo(g)pteridin-10(2H)-yl)-|D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl|1093390-18-1|130609-39-1|535950-32-4|890044-91-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021777 https://doi.org/10.22427/NTP-DATA-DTXSID8021777
ERPathway2016 ERPathway2016_681 Riboflavin 83-88-5 DTXSID8021777 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(=O)NC(=O)C1=N2 Riboflavin 83-88-5|Riboflavin|(-)-Riboflavin|1-Deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-D-ribitol|1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol|6,7-Dimethyl-9-D-ribitylisoalloxazine|6,7-Dimethyl-9-ribitylisoalloxazine|7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-Benzo[g]pteridine-2,4(3H,10H)-dione|7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione|7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine|7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione|7,8-Dimethyl-10-ribitylisoalloxazine|Aqua-Flave|Beflavin|Beflavine|Benzo(g)pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-|Benzo[g]pteridine riboflavin deriv.|Benzo[g]pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-|C.I. Food Yellow 15|D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo(g)pteridin-10(2H)-yl)-|D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl|1093390-18-1|130609-39-1|535950-32-4|890044-91-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021777 https://doi.org/10.22427/NTP-DATA-DTXSID8021777
ARPathway2016 ARPathway2016_789 Rifampicin 13292-46-1 DTXSID6021244 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CO[C@H]1C=CO[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(C=NN1CCN(C)CC1)=C2O Rifampicin 13292-46-1|Rifampicin|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.|236-312-0|3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV|3-(4-Methylpiperazinyliminomethyl)-rifamycin SV|3-[(4-Methyl-1-piperazinyl)iminomethyl]rifamycin SV|3-[[(4-Methyl-1-piperazinyl)imino]methyl]rifamycin|5,6,9,17,19,21-Hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-2,7-(epoxypentadeca[1,11,13]trienimino)-naphtho[2,1-b]furan-1,11(2H)-dione 21-acetate|8-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV|8-(4-Methylpiperazinyliminomethyl) rifamycin SV|Abrifam|Archidyn|Arficin|Benemicin|Dio|16739-94-9|401936-55-8|412909-16-1|724692-91-5|807261-43-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021244 https://doi.org/10.22427/NTP-DATA-DTXSID6021244
ARPathway2016 ARPathway2016_789 Rifampicin 13292-46-1 DTXSID6021244 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CO[C@H]1C=CO[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(C=NN1CCN(C)CC1)=C2O Rifampicin 13292-46-1|Rifampicin|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.|236-312-0|3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV|3-(4-Methylpiperazinyliminomethyl)-rifamycin SV|3-[(4-Methyl-1-piperazinyl)iminomethyl]rifamycin SV|3-[[(4-Methyl-1-piperazinyl)imino]methyl]rifamycin|5,6,9,17,19,21-Hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-2,7-(epoxypentadeca[1,11,13]trienimino)-naphtho[2,1-b]furan-1,11(2H)-dione 21-acetate|8-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV|8-(4-Methylpiperazinyliminomethyl) rifamycin SV|Abrifam|Archidyn|Arficin|Benemicin|Dio|16739-94-9|401936-55-8|412909-16-1|724692-91-5|807261-43-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021244 https://doi.org/10.22427/NTP-DATA-DTXSID6021244
ARPathway2016 ARPathway2016_789 Rifampicin 13292-46-1 DTXSID6021244 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CO[C@H]1C=CO[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(C=NN1CCN(C)CC1)=C2O Rifampicin 13292-46-1|Rifampicin|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.|236-312-0|3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV|3-(4-Methylpiperazinyliminomethyl)-rifamycin SV|3-[(4-Methyl-1-piperazinyl)iminomethyl]rifamycin SV|3-[[(4-Methyl-1-piperazinyl)imino]methyl]rifamycin|5,6,9,17,19,21-Hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-2,7-(epoxypentadeca[1,11,13]trienimino)-naphtho[2,1-b]furan-1,11(2H)-dione 21-acetate|8-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV|8-(4-Methylpiperazinyliminomethyl) rifamycin SV|Abrifam|Archidyn|Arficin|Benemicin|Dio|16739-94-9|401936-55-8|412909-16-1|724692-91-5|807261-43-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021244 https://doi.org/10.22427/NTP-DATA-DTXSID6021244
ARPathway2016 ARPathway2016_789 Rifampicin 13292-46-1 DTXSID6021244 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CO[C@H]1C=CO[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(C=NN1CCN(C)CC1)=C2O Rifampicin 13292-46-1|Rifampicin|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.|236-312-0|3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV|3-(4-Methylpiperazinyliminomethyl)-rifamycin SV|3-[(4-Methyl-1-piperazinyl)iminomethyl]rifamycin SV|3-[[(4-Methyl-1-piperazinyl)imino]methyl]rifamycin|5,6,9,17,19,21-Hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-2,7-(epoxypentadeca[1,11,13]trienimino)-naphtho[2,1-b]furan-1,11(2H)-dione 21-acetate|8-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV|8-(4-Methylpiperazinyliminomethyl) rifamycin SV|Abrifam|Archidyn|Arficin|Benemicin|Dio|16739-94-9|401936-55-8|412909-16-1|724692-91-5|807261-43-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021244 https://doi.org/10.22427/NTP-DATA-DTXSID6021244
ERPathway2016 ERPathway2016_1274 Rifampicin 13292-46-1 DTXSID6021244 ER Pathway Model, Agonist Model Score 0 Unitless CO[C@H]1C=CO[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(C=NN1CCN(C)CC1)=C2O Rifampicin 13292-46-1|Rifampicin|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.|236-312-0|3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV|3-(4-Methylpiperazinyliminomethyl)-rifamycin SV|3-[(4-Methyl-1-piperazinyl)iminomethyl]rifamycin SV|3-[[(4-Methyl-1-piperazinyl)imino]methyl]rifamycin|5,6,9,17,19,21-Hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-2,7-(epoxypentadeca[1,11,13]trienimino)-naphtho[2,1-b]furan-1,11(2H)-dione 21-acetate|8-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV|8-(4-Methylpiperazinyliminomethyl) rifamycin SV|Abrifam|Archidyn|Arficin|Benemicin|Dio|16739-94-9|401936-55-8|412909-16-1|724692-91-5|807261-43-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021244 https://doi.org/10.22427/NTP-DATA-DTXSID6021244
ERPathway2016 ERPathway2016_1274 Rifampicin 13292-46-1 DTXSID6021244 ER Pathway Model, Antagonist Model Score 0 Unitless CO[C@H]1C=CO[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(C=NN1CCN(C)CC1)=C2O Rifampicin 13292-46-1|Rifampicin|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.|236-312-0|3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV|3-(4-Methylpiperazinyliminomethyl)-rifamycin SV|3-[(4-Methyl-1-piperazinyl)iminomethyl]rifamycin SV|3-[[(4-Methyl-1-piperazinyl)imino]methyl]rifamycin|5,6,9,17,19,21-Hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-2,7-(epoxypentadeca[1,11,13]trienimino)-naphtho[2,1-b]furan-1,11(2H)-dione 21-acetate|8-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV|8-(4-Methylpiperazinyliminomethyl) rifamycin SV|Abrifam|Archidyn|Arficin|Benemicin|Dio|16739-94-9|401936-55-8|412909-16-1|724692-91-5|807261-43-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021244 https://doi.org/10.22427/NTP-DATA-DTXSID6021244
ERPathway2016 ERPathway2016_1274 Rifampicin 13292-46-1 DTXSID6021244 ER Pathway Model, Agonist Call Inactive Unitless CO[C@H]1C=CO[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(C=NN1CCN(C)CC1)=C2O Rifampicin 13292-46-1|Rifampicin|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.|236-312-0|3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV|3-(4-Methylpiperazinyliminomethyl)-rifamycin SV|3-[(4-Methyl-1-piperazinyl)iminomethyl]rifamycin SV|3-[[(4-Methyl-1-piperazinyl)imino]methyl]rifamycin|5,6,9,17,19,21-Hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-2,7-(epoxypentadeca[1,11,13]trienimino)-naphtho[2,1-b]furan-1,11(2H)-dione 21-acetate|8-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV|8-(4-Methylpiperazinyliminomethyl) rifamycin SV|Abrifam|Archidyn|Arficin|Benemicin|Dio|16739-94-9|401936-55-8|412909-16-1|724692-91-5|807261-43-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021244 https://doi.org/10.22427/NTP-DATA-DTXSID6021244
ERPathway2016 ERPathway2016_1274 Rifampicin 13292-46-1 DTXSID6021244 ER Pathway Model, Antagonist Call Inactive Unitless CO[C@H]1C=CO[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(C=NN1CCN(C)CC1)=C2O Rifampicin 13292-46-1|Rifampicin|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate|2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.|236-312-0|3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV|3-(4-Methylpiperazinyliminomethyl)-rifamycin SV|3-[(4-Methyl-1-piperazinyl)iminomethyl]rifamycin SV|3-[[(4-Methyl-1-piperazinyl)imino]methyl]rifamycin|5,6,9,17,19,21-Hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-2,7-(epoxypentadeca[1,11,13]trienimino)-naphtho[2,1-b]furan-1,11(2H)-dione 21-acetate|8-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV|8-(4-Methylpiperazinyliminomethyl) rifamycin SV|Abrifam|Archidyn|Arficin|Benemicin|Dio|16739-94-9|401936-55-8|412909-16-1|724692-91-5|807261-43-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021244 https://doi.org/10.22427/NTP-DATA-DTXSID6021244
ARPathway2016 ARPathway2016_14 Ro 23-7637 107071-66-9 DTXSID9048512 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist AC50 29.03835737952 uM O=C(CCCCCCCCC1=CN=CC=C1)N1CCC(CC1)C=C(C1=CC=CC=C1)C1=CC=CC=C1 Ro 23-7637 107071-66-9|Ro 23-7637|1-[4-(2,2-Diphenylethenyl)piperidin-1-yl]-9-(pyridin-3-yl)nonan-1-one|4-(2,2-Diphenylethenyl)-1-(1-oxo-9-(3-pyridinyl)nonyl)piperidine|4-(2,2-Diphenylethenyl)-1-(1-oxo-9-(pyridinyl)nonyl)piperidine https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048512
ARPathway2016 ARPathway2016_14 Ro 23-7637 107071-66-9 DTXSID9048512 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist ACC 29.8604686750447 uM O=C(CCCCCCCCC1=CN=CC=C1)N1CCC(CC1)C=C(C1=CC=CC=C1)C1=CC=CC=C1 Ro 23-7637 107071-66-9|Ro 23-7637|1-[4-(2,2-Diphenylethenyl)piperidin-1-yl]-9-(pyridin-3-yl)nonan-1-one|4-(2,2-Diphenylethenyl)-1-(1-oxo-9-(3-pyridinyl)nonyl)piperidine|4-(2,2-Diphenylethenyl)-1-(1-oxo-9-(pyridinyl)nonyl)piperidine https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048512
ARPathway2016 ARPathway2016_14 Ro 23-7637 107071-66-9 DTXSID9048512 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0.037 Unitless O=C(CCCCCCCCC1=CN=CC=C1)N1CCC(CC1)C=C(C1=CC=CC=C1)C1=CC=CC=C1 Ro 23-7637 107071-66-9|Ro 23-7637|1-[4-(2,2-Diphenylethenyl)piperidin-1-yl]-9-(pyridin-3-yl)nonan-1-one|4-(2,2-Diphenylethenyl)-1-(1-oxo-9-(3-pyridinyl)nonyl)piperidine|4-(2,2-Diphenylethenyl)-1-(1-oxo-9-(pyridinyl)nonyl)piperidine https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048512
ARPathway2016 ARPathway2016_14 Ro 23-7637 107071-66-9 DTXSID9048512 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless O=C(CCCCCCCCC1=CN=CC=C1)N1CCC(CC1)C=C(C1=CC=CC=C1)C1=CC=CC=C1 Ro 23-7637 107071-66-9|Ro 23-7637|1-[4-(2,2-Diphenylethenyl)piperidin-1-yl]-9-(pyridin-3-yl)nonan-1-one|4-(2,2-Diphenylethenyl)-1-(1-oxo-9-(3-pyridinyl)nonyl)piperidine|4-(2,2-Diphenylethenyl)-1-(1-oxo-9-(pyridinyl)nonyl)piperidine https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048512
ARPathway2016 ARPathway2016_14 Ro 23-7637 107071-66-9 DTXSID9048512 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Active Unitless O=C(CCCCCCCCC1=CN=CC=C1)N1CCC(CC1)C=C(C1=CC=CC=C1)C1=CC=CC=C1 Ro 23-7637 107071-66-9|Ro 23-7637|1-[4-(2,2-Diphenylethenyl)piperidin-1-yl]-9-(pyridin-3-yl)nonan-1-one|4-(2,2-Diphenylethenyl)-1-(1-oxo-9-(3-pyridinyl)nonyl)piperidine|4-(2,2-Diphenylethenyl)-1-(1-oxo-9-(pyridinyl)nonyl)piperidine https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048512
ARPathway2016 ARPathway2016_14 Ro 23-7637 107071-66-9 DTXSID9048512 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless O=C(CCCCCCCCC1=CN=CC=C1)N1CCC(CC1)C=C(C1=CC=CC=C1)C1=CC=CC=C1 Ro 23-7637 107071-66-9|Ro 23-7637|1-[4-(2,2-Diphenylethenyl)piperidin-1-yl]-9-(pyridin-3-yl)nonan-1-one|4-(2,2-Diphenylethenyl)-1-(1-oxo-9-(3-pyridinyl)nonyl)piperidine|4-(2,2-Diphenylethenyl)-1-(1-oxo-9-(pyridinyl)nonyl)piperidine https://comptox.epa.gov/dashboard/chemical/details/DTXSID9048512
ARPathway2016 ARPathway2016_13 Ro 3280 1062243-51-9 DTXSID4048511 2.0 Antagonist AR Pathway Model, Agonist AC50 33.46570308 uM COC1=C(NC2=NC3=C(C=N2)N(C)C(=O)C(F)(F)CN3C2CCCC2)C=CC(=C1)C(=O)NC1CCN(C)CC1 Ro 3280 1062243-51-9|Ro 3280|4-[(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide|4-[(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide|4-[(9-Cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide|Benzamide, 4-[(9-cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-|Benzamide, 4-[(9-cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)- (ACI)|PharmaGSID_48511 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048511
ARPathway2016 ARPathway2016_13 Ro 3280 1062243-51-9 DTXSID4048511 2.0 Antagonist AR Pathway Model, Agonist ACC 15.96334503 uM COC1=C(NC2=NC3=C(C=N2)N(C)C(=O)C(F)(F)CN3C2CCCC2)C=CC(=C1)C(=O)NC1CCN(C)CC1 Ro 3280 1062243-51-9|Ro 3280|4-[(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide|4-[(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide|4-[(9-Cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide|Benzamide, 4-[(9-cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-|Benzamide, 4-[(9-cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)- (ACI)|PharmaGSID_48511 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048511
ARPathway2016 ARPathway2016_13 Ro 3280 1062243-51-9 DTXSID4048511 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.1 Unitless COC1=C(NC2=NC3=C(C=N2)N(C)C(=O)C(F)(F)CN3C2CCCC2)C=CC(=C1)C(=O)NC1CCN(C)CC1 Ro 3280 1062243-51-9|Ro 3280|4-[(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide|4-[(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide|4-[(9-Cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide|Benzamide, 4-[(9-cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-|Benzamide, 4-[(9-cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)- (ACI)|PharmaGSID_48511 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048511
ARPathway2016 ARPathway2016_13 Ro 3280 1062243-51-9 DTXSID4048511 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless COC1=C(NC2=NC3=C(C=N2)N(C)C(=O)C(F)(F)CN3C2CCCC2)C=CC(=C1)C(=O)NC1CCN(C)CC1 Ro 3280 1062243-51-9|Ro 3280|4-[(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide|4-[(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide|4-[(9-Cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide|Benzamide, 4-[(9-cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-|Benzamide, 4-[(9-cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)- (ACI)|PharmaGSID_48511 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048511
ARPathway2016 ARPathway2016_13 Ro 3280 1062243-51-9 DTXSID4048511 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless COC1=C(NC2=NC3=C(C=N2)N(C)C(=O)C(F)(F)CN3C2CCCC2)C=CC(=C1)C(=O)NC1CCN(C)CC1 Ro 3280 1062243-51-9|Ro 3280|4-[(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide|4-[(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide|4-[(9-Cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide|Benzamide, 4-[(9-cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-|Benzamide, 4-[(9-cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)- (ACI)|PharmaGSID_48511 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048511
ARPathway2016 ARPathway2016_13 Ro 3280 1062243-51-9 DTXSID4048511 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless COC1=C(NC2=NC3=C(C=N2)N(C)C(=O)C(F)(F)CN3C2CCCC2)C=CC(=C1)C(=O)NC1CCN(C)CC1 Ro 3280 1062243-51-9|Ro 3280|4-[(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide|4-[(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide|4-[(9-Cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide|Benzamide, 4-[(9-cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-|Benzamide, 4-[(9-cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)- (ACI)|PharmaGSID_48511 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4048511
ARPathway2016 ARPathway2016_1544 Ronidazole 7681-76-7 DTXSID6045400 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN1C(COC(N)=O)=NC=C1[N+]([O-])=O Ronidazole 7681-76-7|Ronidazole|(1-Methyl-5-nitroimidazol-2-yl)methyl carbamate|5-23-10-00553|BRN 0886221|Carbamidsaeure-((1-methyl-5-nitroimidazol-2-yl)methyl)ester|EINECS 231-675-1|Ridazole|Ridzol P|Ronidazol|Ronidazol-pharmachim|Ronidazolum|UNII-E01R4M1063 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6045400
ARPathway2016 ARPathway2016_1544 Ronidazole 7681-76-7 DTXSID6045400 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN1C(COC(N)=O)=NC=C1[N+]([O-])=O Ronidazole 7681-76-7|Ronidazole|(1-Methyl-5-nitroimidazol-2-yl)methyl carbamate|5-23-10-00553|BRN 0886221|Carbamidsaeure-((1-methyl-5-nitroimidazol-2-yl)methyl)ester|EINECS 231-675-1|Ridazole|Ridzol P|Ronidazol|Ronidazol-pharmachim|Ronidazolum|UNII-E01R4M1063 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6045400
ARPathway2016 ARPathway2016_1544 Ronidazole 7681-76-7 DTXSID6045400 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN1C(COC(N)=O)=NC=C1[N+]([O-])=O Ronidazole 7681-76-7|Ronidazole|(1-Methyl-5-nitroimidazol-2-yl)methyl carbamate|5-23-10-00553|BRN 0886221|Carbamidsaeure-((1-methyl-5-nitroimidazol-2-yl)methyl)ester|EINECS 231-675-1|Ridazole|Ridzol P|Ronidazol|Ronidazol-pharmachim|Ronidazolum|UNII-E01R4M1063 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6045400
ARPathway2016 ARPathway2016_1544 Ronidazole 7681-76-7 DTXSID6045400 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN1C(COC(N)=O)=NC=C1[N+]([O-])=O Ronidazole 7681-76-7|Ronidazole|(1-Methyl-5-nitroimidazol-2-yl)methyl carbamate|5-23-10-00553|BRN 0886221|Carbamidsaeure-((1-methyl-5-nitroimidazol-2-yl)methyl)ester|EINECS 231-675-1|Ridazole|Ridzol P|Ronidazol|Ronidazol-pharmachim|Ronidazolum|UNII-E01R4M1063 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6045400
ERPathway2016 ERPathway2016_1648 Ronidazole 7681-76-7 DTXSID6045400 ER Pathway Model, Agonist Model Score 0 Unitless CN1C(COC(N)=O)=NC=C1[N+]([O-])=O Ronidazole 7681-76-7|Ronidazole|(1-Methyl-5-nitroimidazol-2-yl)methyl carbamate|5-23-10-00553|BRN 0886221|Carbamidsaeure-((1-methyl-5-nitroimidazol-2-yl)methyl)ester|EINECS 231-675-1|Ridazole|Ridzol P|Ronidazol|Ronidazol-pharmachim|Ronidazolum|UNII-E01R4M1063 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6045400
ERPathway2016 ERPathway2016_1648 Ronidazole 7681-76-7 DTXSID6045400 ER Pathway Model, Antagonist Model Score 0 Unitless CN1C(COC(N)=O)=NC=C1[N+]([O-])=O Ronidazole 7681-76-7|Ronidazole|(1-Methyl-5-nitroimidazol-2-yl)methyl carbamate|5-23-10-00553|BRN 0886221|Carbamidsaeure-((1-methyl-5-nitroimidazol-2-yl)methyl)ester|EINECS 231-675-1|Ridazole|Ridzol P|Ronidazol|Ronidazol-pharmachim|Ronidazolum|UNII-E01R4M1063 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6045400
ERPathway2016 ERPathway2016_1648 Ronidazole 7681-76-7 DTXSID6045400 ER Pathway Model, Agonist Call Inactive Unitless CN1C(COC(N)=O)=NC=C1[N+]([O-])=O Ronidazole 7681-76-7|Ronidazole|(1-Methyl-5-nitroimidazol-2-yl)methyl carbamate|5-23-10-00553|BRN 0886221|Carbamidsaeure-((1-methyl-5-nitroimidazol-2-yl)methyl)ester|EINECS 231-675-1|Ridazole|Ridzol P|Ronidazol|Ronidazol-pharmachim|Ronidazolum|UNII-E01R4M1063 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6045400
ERPathway2016 ERPathway2016_1648 Ronidazole 7681-76-7 DTXSID6045400 ER Pathway Model, Antagonist Call Inactive Unitless CN1C(COC(N)=O)=NC=C1[N+]([O-])=O Ronidazole 7681-76-7|Ronidazole|(1-Methyl-5-nitroimidazol-2-yl)methyl carbamate|5-23-10-00553|BRN 0886221|Carbamidsaeure-((1-methyl-5-nitroimidazol-2-yl)methyl)ester|EINECS 231-675-1|Ridazole|Ridzol P|Ronidazol|Ronidazol-pharmachim|Ronidazolum|UNII-E01R4M1063 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6045400
ARPathway2016 ARPathway2016_295 Rotenone 83-79-4 DTXSID6021248 FLAG: Antagonist shift, but CI overlap 4.0 Antagonist AR Pathway Model, Agonist AC50 0.037719151 uM [H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1([H])C(=O)C1=CC=C3O[C@H](CC3=C1O2)C(C)=C Rotenone 83-79-4|Rotenone|(-)-cis-Rotenone|(-)-Rotenone|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6a H)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-m ethylethenyl)-, (2R-(2.alpha.,6a.alpha.,12a.alpha. ))-|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-alpha-isopropenyl-8,9-dimethoxy-|(12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one|(2R-(2alpha,6aalpha,12aalpha))-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)(1)benzopyrano(3,4-b)furo(2,3-h)benzopyran-6(6aH)-one|(2R-(6aalpha,12aalpha)-1,2-Dihydro-2-isopropenyl-8,9-dimethoxychromano(3,4-b)furo(2,3-h)chroman-6-on|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno(3,4-b)furo(2,3-h)chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-Hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-on|(2R,6AS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dim|12679-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021248 https://doi.org/10.22427/NTP-DATA-DTXSID6021248
ARPathway2016 ARPathway2016_295 Rotenone 83-79-4 DTXSID6021248 FLAG: Antagonist shift, but CI overlap 4.0 Antagonist AR Pathway Model, Agonist ACC 0.497184590905302 uM [H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1([H])C(=O)C1=CC=C3O[C@H](CC3=C1O2)C(C)=C Rotenone 83-79-4|Rotenone|(-)-cis-Rotenone|(-)-Rotenone|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6a H)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-m ethylethenyl)-, (2R-(2.alpha.,6a.alpha.,12a.alpha. ))-|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-alpha-isopropenyl-8,9-dimethoxy-|(12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one|(2R-(2alpha,6aalpha,12aalpha))-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)(1)benzopyrano(3,4-b)furo(2,3-h)benzopyran-6(6aH)-one|(2R-(6aalpha,12aalpha)-1,2-Dihydro-2-isopropenyl-8,9-dimethoxychromano(3,4-b)furo(2,3-h)chroman-6-on|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno(3,4-b)furo(2,3-h)chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-Hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-on|(2R,6AS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dim|12679-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021248 https://doi.org/10.22427/NTP-DATA-DTXSID6021248
ARPathway2016 ARPathway2016_295 Rotenone 83-79-4 DTXSID6021248 FLAG: Antagonist shift, but CI overlap 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.204 Unitless [H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1([H])C(=O)C1=CC=C3O[C@H](CC3=C1O2)C(C)=C Rotenone 83-79-4|Rotenone|(-)-cis-Rotenone|(-)-Rotenone|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6a H)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-m ethylethenyl)-, (2R-(2.alpha.,6a.alpha.,12a.alpha. ))-|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-alpha-isopropenyl-8,9-dimethoxy-|(12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one|(2R-(2alpha,6aalpha,12aalpha))-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)(1)benzopyrano(3,4-b)furo(2,3-h)benzopyran-6(6aH)-one|(2R-(6aalpha,12aalpha)-1,2-Dihydro-2-isopropenyl-8,9-dimethoxychromano(3,4-b)furo(2,3-h)chroman-6-on|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno(3,4-b)furo(2,3-h)chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-Hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-on|(2R,6AS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dim|12679-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021248 https://doi.org/10.22427/NTP-DATA-DTXSID6021248
ARPathway2016 ARPathway2016_295 Rotenone 83-79-4 DTXSID6021248 FLAG: Antagonist shift, but CI overlap 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1([H])C(=O)C1=CC=C3O[C@H](CC3=C1O2)C(C)=C Rotenone 83-79-4|Rotenone|(-)-cis-Rotenone|(-)-Rotenone|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6a H)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-m ethylethenyl)-, (2R-(2.alpha.,6a.alpha.,12a.alpha. ))-|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-alpha-isopropenyl-8,9-dimethoxy-|(12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one|(2R-(2alpha,6aalpha,12aalpha))-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)(1)benzopyrano(3,4-b)furo(2,3-h)benzopyran-6(6aH)-one|(2R-(6aalpha,12aalpha)-1,2-Dihydro-2-isopropenyl-8,9-dimethoxychromano(3,4-b)furo(2,3-h)chroman-6-on|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno(3,4-b)furo(2,3-h)chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-Hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-on|(2R,6AS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dim|12679-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021248 https://doi.org/10.22427/NTP-DATA-DTXSID6021248
ARPathway2016 ARPathway2016_295 Rotenone 83-79-4 DTXSID6021248 FLAG: Antagonist shift, but CI overlap 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1([H])C(=O)C1=CC=C3O[C@H](CC3=C1O2)C(C)=C Rotenone 83-79-4|Rotenone|(-)-cis-Rotenone|(-)-Rotenone|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6a H)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-m ethylethenyl)-, (2R-(2.alpha.,6a.alpha.,12a.alpha. ))-|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-alpha-isopropenyl-8,9-dimethoxy-|(12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one|(2R-(2alpha,6aalpha,12aalpha))-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)(1)benzopyrano(3,4-b)furo(2,3-h)benzopyran-6(6aH)-one|(2R-(6aalpha,12aalpha)-1,2-Dihydro-2-isopropenyl-8,9-dimethoxychromano(3,4-b)furo(2,3-h)chroman-6-on|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno(3,4-b)furo(2,3-h)chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-Hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-on|(2R,6AS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dim|12679-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021248 https://doi.org/10.22427/NTP-DATA-DTXSID6021248
ARPathway2016 ARPathway2016_295 Rotenone 83-79-4 DTXSID6021248 FLAG: Antagonist shift, but CI overlap 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1([H])C(=O)C1=CC=C3O[C@H](CC3=C1O2)C(C)=C Rotenone 83-79-4|Rotenone|(-)-cis-Rotenone|(-)-Rotenone|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6a H)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-m ethylethenyl)-, (2R-(2.alpha.,6a.alpha.,12a.alpha. ))-|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-alpha-isopropenyl-8,9-dimethoxy-|(12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one|(2R-(2alpha,6aalpha,12aalpha))-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)(1)benzopyrano(3,4-b)furo(2,3-h)benzopyran-6(6aH)-one|(2R-(6aalpha,12aalpha)-1,2-Dihydro-2-isopropenyl-8,9-dimethoxychromano(3,4-b)furo(2,3-h)chroman-6-on|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno(3,4-b)furo(2,3-h)chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-Hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-on|(2R,6AS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dim|12679-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021248 https://doi.org/10.22427/NTP-DATA-DTXSID6021248
ERPathway2016 ERPathway2016_490 Rotenone 83-79-4 DTXSID6021248 R8 ER Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1([H])C(=O)C1=CC=C3O[C@H](CC3=C1O2)C(C)=C Rotenone 83-79-4|Rotenone|(-)-cis-Rotenone|(-)-Rotenone|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6a H)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-m ethylethenyl)-, (2R-(2.alpha.,6a.alpha.,12a.alpha. ))-|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-alpha-isopropenyl-8,9-dimethoxy-|(12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one|(2R-(2alpha,6aalpha,12aalpha))-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)(1)benzopyrano(3,4-b)furo(2,3-h)benzopyran-6(6aH)-one|(2R-(6aalpha,12aalpha)-1,2-Dihydro-2-isopropenyl-8,9-dimethoxychromano(3,4-b)furo(2,3-h)chroman-6-on|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno(3,4-b)furo(2,3-h)chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-Hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-on|(2R,6AS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dim|12679-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021248 https://doi.org/10.22427/NTP-DATA-DTXSID6021248
ERPathway2016 ERPathway2016_490 Rotenone 83-79-4 DTXSID6021248 R8 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1([H])C(=O)C1=CC=C3O[C@H](CC3=C1O2)C(C)=C Rotenone 83-79-4|Rotenone|(-)-cis-Rotenone|(-)-Rotenone|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6a H)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-m ethylethenyl)-, (2R-(2.alpha.,6a.alpha.,12a.alpha. ))-|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-alpha-isopropenyl-8,9-dimethoxy-|(12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one|(2R-(2alpha,6aalpha,12aalpha))-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)(1)benzopyrano(3,4-b)furo(2,3-h)benzopyran-6(6aH)-one|(2R-(6aalpha,12aalpha)-1,2-Dihydro-2-isopropenyl-8,9-dimethoxychromano(3,4-b)furo(2,3-h)chroman-6-on|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno(3,4-b)furo(2,3-h)chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-Hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-on|(2R,6AS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dim|12679-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021248 https://doi.org/10.22427/NTP-DATA-DTXSID6021248
ERPathway2016 ERPathway2016_490 Rotenone 83-79-4 DTXSID6021248 R8 ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1([H])C(=O)C1=CC=C3O[C@H](CC3=C1O2)C(C)=C Rotenone 83-79-4|Rotenone|(-)-cis-Rotenone|(-)-Rotenone|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6a H)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-m ethylethenyl)-, (2R-(2.alpha.,6a.alpha.,12a.alpha. ))-|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-alpha-isopropenyl-8,9-dimethoxy-|(12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one|(2R-(2alpha,6aalpha,12aalpha))-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)(1)benzopyrano(3,4-b)furo(2,3-h)benzopyran-6(6aH)-one|(2R-(6aalpha,12aalpha)-1,2-Dihydro-2-isopropenyl-8,9-dimethoxychromano(3,4-b)furo(2,3-h)chroman-6-on|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno(3,4-b)furo(2,3-h)chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-Hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-on|(2R,6AS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dim|12679-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021248 https://doi.org/10.22427/NTP-DATA-DTXSID6021248
ERPathway2016 ERPathway2016_490 Rotenone 83-79-4 DTXSID6021248 R8 ER Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1([H])C(=O)C1=CC=C3O[C@H](CC3=C1O2)C(C)=C Rotenone 83-79-4|Rotenone|(-)-cis-Rotenone|(-)-Rotenone|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6a H)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-m ethylethenyl)-, (2R-(2.alpha.,6a.alpha.,12a.alpha. ))-|(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-alpha-isopropenyl-8,9-dimethoxy-|(12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one|(2R-(2alpha,6aalpha,12aalpha))-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)(1)benzopyrano(3,4-b)furo(2,3-h)benzopyran-6(6aH)-one|(2R-(6aalpha,12aalpha)-1,2-Dihydro-2-isopropenyl-8,9-dimethoxychromano(3,4-b)furo(2,3-h)chroman-6-on|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno(3,4-b)furo(2,3-h)chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-Hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-on|(2R,6AS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-one|(2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dim|12679-58-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021248 https://doi.org/10.22427/NTP-DATA-DTXSID6021248
ARPathway2016 ARPathway2016_1609 Saccharin 81-07-2 DTXSID5021251 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C1NS(=O)(=O)C2=C1C=CC=C2 Saccharin 81-07-2|Saccharin|[1,2-benzisothiazol-3(2H)-one, 1,1-dioxide]|1, 2-Benzisothiazol-3(2H)-one, 1,1-dioxide|1, 2-Benzisothiazolin-3-one 1,1-dioxide|1, 2-Dihydro-2-ketobenzisosulfonazole|1,1-Diox-1,2-benzisothiazol-3-one|1,1-Dioxide-1,2-benzisothiazol-3(2H)-one|1,1-Dioxide-1,2-benzisothiazolin-3-one|1,1-dioxido de 1,2-bencisotiazol-3(2H)-ona|1,1-Dioxido-3-oxo-2,3-dihydrobenzo[d]isothiazole|1,1-Dioxo-1,2-benzisothiazol-3(2H)-one|1,1-Dioxo-1,2-dihydro-1lambda*6*-benzo[D]isothiazol-3-one|1,1-Dioxo-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one|1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one|1,1-Dioxyde de 1,2-benzisothiazol-3(2H)-one|1,1-dioxyde de 1,2-benzisothiazole-3(2H)-one|1,2-Benzisothiazol-3(2H)-on-1,1-dioxid|1,2-benzisothiazol-3(2H)-one 1,1-dioxide|1,2-Benzisothiazol-3(2H)-one 1,1-dioxide, 9CI|1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide|1,2-Benzisothiazolin-3-one 1,1-dioxide|1,2-Benzisothiazolin-3-one, 1,1-dioxide|1,2-Benzisothiazoline-3-one 1,1-dioxide|1,2-Benzothiazol-3(2H)-one 1,1-dioxide|1,2-Dihydro-2-ketobenzisosulfonazole|1|126987-83-5|474-91-9|61255-27-4|890126-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021251 https://doi.org/10.22427/NTP-DATA-DTXSID5021251
ARPathway2016 ARPathway2016_1609 Saccharin 81-07-2 DTXSID5021251 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C1NS(=O)(=O)C2=C1C=CC=C2 Saccharin 81-07-2|Saccharin|[1,2-benzisothiazol-3(2H)-one, 1,1-dioxide]|1, 2-Benzisothiazol-3(2H)-one, 1,1-dioxide|1, 2-Benzisothiazolin-3-one 1,1-dioxide|1, 2-Dihydro-2-ketobenzisosulfonazole|1,1-Diox-1,2-benzisothiazol-3-one|1,1-Dioxide-1,2-benzisothiazol-3(2H)-one|1,1-Dioxide-1,2-benzisothiazolin-3-one|1,1-dioxido de 1,2-bencisotiazol-3(2H)-ona|1,1-Dioxido-3-oxo-2,3-dihydrobenzo[d]isothiazole|1,1-Dioxo-1,2-benzisothiazol-3(2H)-one|1,1-Dioxo-1,2-dihydro-1lambda*6*-benzo[D]isothiazol-3-one|1,1-Dioxo-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one|1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one|1,1-Dioxyde de 1,2-benzisothiazol-3(2H)-one|1,1-dioxyde de 1,2-benzisothiazole-3(2H)-one|1,2-Benzisothiazol-3(2H)-on-1,1-dioxid|1,2-benzisothiazol-3(2H)-one 1,1-dioxide|1,2-Benzisothiazol-3(2H)-one 1,1-dioxide, 9CI|1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide|1,2-Benzisothiazolin-3-one 1,1-dioxide|1,2-Benzisothiazolin-3-one, 1,1-dioxide|1,2-Benzisothiazoline-3-one 1,1-dioxide|1,2-Benzothiazol-3(2H)-one 1,1-dioxide|1,2-Dihydro-2-ketobenzisosulfonazole|1|126987-83-5|474-91-9|61255-27-4|890126-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021251 https://doi.org/10.22427/NTP-DATA-DTXSID5021251
ARPathway2016 ARPathway2016_1609 Saccharin 81-07-2 DTXSID5021251 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C1NS(=O)(=O)C2=C1C=CC=C2 Saccharin 81-07-2|Saccharin|[1,2-benzisothiazol-3(2H)-one, 1,1-dioxide]|1, 2-Benzisothiazol-3(2H)-one, 1,1-dioxide|1, 2-Benzisothiazolin-3-one 1,1-dioxide|1, 2-Dihydro-2-ketobenzisosulfonazole|1,1-Diox-1,2-benzisothiazol-3-one|1,1-Dioxide-1,2-benzisothiazol-3(2H)-one|1,1-Dioxide-1,2-benzisothiazolin-3-one|1,1-dioxido de 1,2-bencisotiazol-3(2H)-ona|1,1-Dioxido-3-oxo-2,3-dihydrobenzo[d]isothiazole|1,1-Dioxo-1,2-benzisothiazol-3(2H)-one|1,1-Dioxo-1,2-dihydro-1lambda*6*-benzo[D]isothiazol-3-one|1,1-Dioxo-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one|1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one|1,1-Dioxyde de 1,2-benzisothiazol-3(2H)-one|1,1-dioxyde de 1,2-benzisothiazole-3(2H)-one|1,2-Benzisothiazol-3(2H)-on-1,1-dioxid|1,2-benzisothiazol-3(2H)-one 1,1-dioxide|1,2-Benzisothiazol-3(2H)-one 1,1-dioxide, 9CI|1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide|1,2-Benzisothiazolin-3-one 1,1-dioxide|1,2-Benzisothiazolin-3-one, 1,1-dioxide|1,2-Benzisothiazoline-3-one 1,1-dioxide|1,2-Benzothiazol-3(2H)-one 1,1-dioxide|1,2-Dihydro-2-ketobenzisosulfonazole|1|126987-83-5|474-91-9|61255-27-4|890126-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021251 https://doi.org/10.22427/NTP-DATA-DTXSID5021251
ARPathway2016 ARPathway2016_1609 Saccharin 81-07-2 DTXSID5021251 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C1NS(=O)(=O)C2=C1C=CC=C2 Saccharin 81-07-2|Saccharin|[1,2-benzisothiazol-3(2H)-one, 1,1-dioxide]|1, 2-Benzisothiazol-3(2H)-one, 1,1-dioxide|1, 2-Benzisothiazolin-3-one 1,1-dioxide|1, 2-Dihydro-2-ketobenzisosulfonazole|1,1-Diox-1,2-benzisothiazol-3-one|1,1-Dioxide-1,2-benzisothiazol-3(2H)-one|1,1-Dioxide-1,2-benzisothiazolin-3-one|1,1-dioxido de 1,2-bencisotiazol-3(2H)-ona|1,1-Dioxido-3-oxo-2,3-dihydrobenzo[d]isothiazole|1,1-Dioxo-1,2-benzisothiazol-3(2H)-one|1,1-Dioxo-1,2-dihydro-1lambda*6*-benzo[D]isothiazol-3-one|1,1-Dioxo-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one|1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one|1,1-Dioxyde de 1,2-benzisothiazol-3(2H)-one|1,1-dioxyde de 1,2-benzisothiazole-3(2H)-one|1,2-Benzisothiazol-3(2H)-on-1,1-dioxid|1,2-benzisothiazol-3(2H)-one 1,1-dioxide|1,2-Benzisothiazol-3(2H)-one 1,1-dioxide, 9CI|1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide|1,2-Benzisothiazolin-3-one 1,1-dioxide|1,2-Benzisothiazolin-3-one, 1,1-dioxide|1,2-Benzisothiazoline-3-one 1,1-dioxide|1,2-Benzothiazol-3(2H)-one 1,1-dioxide|1,2-Dihydro-2-ketobenzisosulfonazole|1|126987-83-5|474-91-9|61255-27-4|890126-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021251 https://doi.org/10.22427/NTP-DATA-DTXSID5021251
ERPathway2016 ERPathway2016_1683 Saccharin 81-07-2 DTXSID5021251 ER Pathway Model, Agonist Model Score 0 Unitless O=C1NS(=O)(=O)C2=C1C=CC=C2 Saccharin 81-07-2|Saccharin|[1,2-benzisothiazol-3(2H)-one, 1,1-dioxide]|1, 2-Benzisothiazol-3(2H)-one, 1,1-dioxide|1, 2-Benzisothiazolin-3-one 1,1-dioxide|1, 2-Dihydro-2-ketobenzisosulfonazole|1,1-Diox-1,2-benzisothiazol-3-one|1,1-Dioxide-1,2-benzisothiazol-3(2H)-one|1,1-Dioxide-1,2-benzisothiazolin-3-one|1,1-dioxido de 1,2-bencisotiazol-3(2H)-ona|1,1-Dioxido-3-oxo-2,3-dihydrobenzo[d]isothiazole|1,1-Dioxo-1,2-benzisothiazol-3(2H)-one|1,1-Dioxo-1,2-dihydro-1lambda*6*-benzo[D]isothiazol-3-one|1,1-Dioxo-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one|1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one|1,1-Dioxyde de 1,2-benzisothiazol-3(2H)-one|1,1-dioxyde de 1,2-benzisothiazole-3(2H)-one|1,2-Benzisothiazol-3(2H)-on-1,1-dioxid|1,2-benzisothiazol-3(2H)-one 1,1-dioxide|1,2-Benzisothiazol-3(2H)-one 1,1-dioxide, 9CI|1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide|1,2-Benzisothiazolin-3-one 1,1-dioxide|1,2-Benzisothiazolin-3-one, 1,1-dioxide|1,2-Benzisothiazoline-3-one 1,1-dioxide|1,2-Benzothiazol-3(2H)-one 1,1-dioxide|1,2-Dihydro-2-ketobenzisosulfonazole|1|126987-83-5|474-91-9|61255-27-4|890126-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021251 https://doi.org/10.22427/NTP-DATA-DTXSID5021251
ERPathway2016 ERPathway2016_1683 Saccharin 81-07-2 DTXSID5021251 ER Pathway Model, Antagonist Model Score 0 Unitless O=C1NS(=O)(=O)C2=C1C=CC=C2 Saccharin 81-07-2|Saccharin|[1,2-benzisothiazol-3(2H)-one, 1,1-dioxide]|1, 2-Benzisothiazol-3(2H)-one, 1,1-dioxide|1, 2-Benzisothiazolin-3-one 1,1-dioxide|1, 2-Dihydro-2-ketobenzisosulfonazole|1,1-Diox-1,2-benzisothiazol-3-one|1,1-Dioxide-1,2-benzisothiazol-3(2H)-one|1,1-Dioxide-1,2-benzisothiazolin-3-one|1,1-dioxido de 1,2-bencisotiazol-3(2H)-ona|1,1-Dioxido-3-oxo-2,3-dihydrobenzo[d]isothiazole|1,1-Dioxo-1,2-benzisothiazol-3(2H)-one|1,1-Dioxo-1,2-dihydro-1lambda*6*-benzo[D]isothiazol-3-one|1,1-Dioxo-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one|1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one|1,1-Dioxyde de 1,2-benzisothiazol-3(2H)-one|1,1-dioxyde de 1,2-benzisothiazole-3(2H)-one|1,2-Benzisothiazol-3(2H)-on-1,1-dioxid|1,2-benzisothiazol-3(2H)-one 1,1-dioxide|1,2-Benzisothiazol-3(2H)-one 1,1-dioxide, 9CI|1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide|1,2-Benzisothiazolin-3-one 1,1-dioxide|1,2-Benzisothiazolin-3-one, 1,1-dioxide|1,2-Benzisothiazoline-3-one 1,1-dioxide|1,2-Benzothiazol-3(2H)-one 1,1-dioxide|1,2-Dihydro-2-ketobenzisosulfonazole|1|126987-83-5|474-91-9|61255-27-4|890126-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021251 https://doi.org/10.22427/NTP-DATA-DTXSID5021251
ERPathway2016 ERPathway2016_1683 Saccharin 81-07-2 DTXSID5021251 ER Pathway Model, Agonist Call Inactive Unitless O=C1NS(=O)(=O)C2=C1C=CC=C2 Saccharin 81-07-2|Saccharin|[1,2-benzisothiazol-3(2H)-one, 1,1-dioxide]|1, 2-Benzisothiazol-3(2H)-one, 1,1-dioxide|1, 2-Benzisothiazolin-3-one 1,1-dioxide|1, 2-Dihydro-2-ketobenzisosulfonazole|1,1-Diox-1,2-benzisothiazol-3-one|1,1-Dioxide-1,2-benzisothiazol-3(2H)-one|1,1-Dioxide-1,2-benzisothiazolin-3-one|1,1-dioxido de 1,2-bencisotiazol-3(2H)-ona|1,1-Dioxido-3-oxo-2,3-dihydrobenzo[d]isothiazole|1,1-Dioxo-1,2-benzisothiazol-3(2H)-one|1,1-Dioxo-1,2-dihydro-1lambda*6*-benzo[D]isothiazol-3-one|1,1-Dioxo-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one|1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one|1,1-Dioxyde de 1,2-benzisothiazol-3(2H)-one|1,1-dioxyde de 1,2-benzisothiazole-3(2H)-one|1,2-Benzisothiazol-3(2H)-on-1,1-dioxid|1,2-benzisothiazol-3(2H)-one 1,1-dioxide|1,2-Benzisothiazol-3(2H)-one 1,1-dioxide, 9CI|1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide|1,2-Benzisothiazolin-3-one 1,1-dioxide|1,2-Benzisothiazolin-3-one, 1,1-dioxide|1,2-Benzisothiazoline-3-one 1,1-dioxide|1,2-Benzothiazol-3(2H)-one 1,1-dioxide|1,2-Dihydro-2-ketobenzisosulfonazole|1|126987-83-5|474-91-9|61255-27-4|890126-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021251 https://doi.org/10.22427/NTP-DATA-DTXSID5021251
ERPathway2016 ERPathway2016_1683 Saccharin 81-07-2 DTXSID5021251 ER Pathway Model, Antagonist Call Inactive Unitless O=C1NS(=O)(=O)C2=C1C=CC=C2 Saccharin 81-07-2|Saccharin|[1,2-benzisothiazol-3(2H)-one, 1,1-dioxide]|1, 2-Benzisothiazol-3(2H)-one, 1,1-dioxide|1, 2-Benzisothiazolin-3-one 1,1-dioxide|1, 2-Dihydro-2-ketobenzisosulfonazole|1,1-Diox-1,2-benzisothiazol-3-one|1,1-Dioxide-1,2-benzisothiazol-3(2H)-one|1,1-Dioxide-1,2-benzisothiazolin-3-one|1,1-dioxido de 1,2-bencisotiazol-3(2H)-ona|1,1-Dioxido-3-oxo-2,3-dihydrobenzo[d]isothiazole|1,1-Dioxo-1,2-benzisothiazol-3(2H)-one|1,1-Dioxo-1,2-dihydro-1lambda*6*-benzo[D]isothiazol-3-one|1,1-Dioxo-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one|1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one|1,1-Dioxyde de 1,2-benzisothiazol-3(2H)-one|1,1-dioxyde de 1,2-benzisothiazole-3(2H)-one|1,2-Benzisothiazol-3(2H)-on-1,1-dioxid|1,2-benzisothiazol-3(2H)-one 1,1-dioxide|1,2-Benzisothiazol-3(2H)-one 1,1-dioxide, 9CI|1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide|1,2-Benzisothiazolin-3-one 1,1-dioxide|1,2-Benzisothiazolin-3-one, 1,1-dioxide|1,2-Benzisothiazoline-3-one 1,1-dioxide|1,2-Benzothiazol-3(2H)-one 1,1-dioxide|1,2-Dihydro-2-ketobenzisosulfonazole|1|126987-83-5|474-91-9|61255-27-4|890126-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021251 https://doi.org/10.22427/NTP-DATA-DTXSID5021251
ARPathway2016 ARPathway2016_1743 Safrole 94-59-7 DTXSID0021254 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless C=CCC1=CC=C2OCOC2=C1 Safrole 94-59-7|Safrole|1-Allyl-3,4-methylenedioxybenzene|1,2-Methylenedioxy-4-allylbenzene|1,3-Benzodioxole, 5-(2-propen-1-yl)-|1,3-Benzodioxole, 5-(2-propenyl)-|1,3-Benzodioxole, 5-allyl-|3-(3,4-Methylenedioxyphenyl)prop-1-ene|3, 4-Methylenedioxy-1-allylbenzene|3,4-(methylenedioxy)allylbenzene|3,4-Methylenedioxy-allylbenzene|4-Allyl-1,2-(methylenedioxy)benzene|4-allyl-1,2-methylenedioxybenzene|4-Allylpyrocatechol|4-Allylpyrocatechol formaldehyde acetal|5-(2-Propenyl)-1,3-benzodioxole|5-19-01-00553|5-alil-1,3-benzodioxol|5-Allyl-1,3-benzodioxol|5-allyl-1,3-benzodioxole|5-allyl-benzo[1,3]dioxole|5-Allylbenzo-1,3-dioxole|Allylcatechol methylene ether|Allyldioxybenzene methylene ether|Allylpyrocatechol methylene ether|Benzene, 1,2-methylenedioxy-4-allyl-|Benzene, 4-allyl-1,2-(methylenedioxy)-|BENZO-1,3-DIOXOLE, 5-(2-PROPENYL)-|BRN 0136380|Caswell No. 729|EINECS 202-345-4|EPA Pesticide Chemical Code 097901|m-Allylpyrocatechin methylene ether|NSC 11831|RCRA waste number U203|Rhyuno oil|Safrene|safrol|Safrole MF|Sassafras|shikimol|Shikim|1406-55-9|8022-92-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021254 https://doi.org/10.22427/NTP-DATA-DTXSID0021254
ARPathway2016 ARPathway2016_1743 Safrole 94-59-7 DTXSID0021254 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless C=CCC1=CC=C2OCOC2=C1 Safrole 94-59-7|Safrole|1-Allyl-3,4-methylenedioxybenzene|1,2-Methylenedioxy-4-allylbenzene|1,3-Benzodioxole, 5-(2-propen-1-yl)-|1,3-Benzodioxole, 5-(2-propenyl)-|1,3-Benzodioxole, 5-allyl-|3-(3,4-Methylenedioxyphenyl)prop-1-ene|3, 4-Methylenedioxy-1-allylbenzene|3,4-(methylenedioxy)allylbenzene|3,4-Methylenedioxy-allylbenzene|4-Allyl-1,2-(methylenedioxy)benzene|4-allyl-1,2-methylenedioxybenzene|4-Allylpyrocatechol|4-Allylpyrocatechol formaldehyde acetal|5-(2-Propenyl)-1,3-benzodioxole|5-19-01-00553|5-alil-1,3-benzodioxol|5-Allyl-1,3-benzodioxol|5-allyl-1,3-benzodioxole|5-allyl-benzo[1,3]dioxole|5-Allylbenzo-1,3-dioxole|Allylcatechol methylene ether|Allyldioxybenzene methylene ether|Allylpyrocatechol methylene ether|Benzene, 1,2-methylenedioxy-4-allyl-|Benzene, 4-allyl-1,2-(methylenedioxy)-|BENZO-1,3-DIOXOLE, 5-(2-PROPENYL)-|BRN 0136380|Caswell No. 729|EINECS 202-345-4|EPA Pesticide Chemical Code 097901|m-Allylpyrocatechin methylene ether|NSC 11831|RCRA waste number U203|Rhyuno oil|Safrene|safrol|Safrole MF|Sassafras|shikimol|Shikim|1406-55-9|8022-92-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021254 https://doi.org/10.22427/NTP-DATA-DTXSID0021254
ARPathway2016 ARPathway2016_1743 Safrole 94-59-7 DTXSID0021254 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless C=CCC1=CC=C2OCOC2=C1 Safrole 94-59-7|Safrole|1-Allyl-3,4-methylenedioxybenzene|1,2-Methylenedioxy-4-allylbenzene|1,3-Benzodioxole, 5-(2-propen-1-yl)-|1,3-Benzodioxole, 5-(2-propenyl)-|1,3-Benzodioxole, 5-allyl-|3-(3,4-Methylenedioxyphenyl)prop-1-ene|3, 4-Methylenedioxy-1-allylbenzene|3,4-(methylenedioxy)allylbenzene|3,4-Methylenedioxy-allylbenzene|4-Allyl-1,2-(methylenedioxy)benzene|4-allyl-1,2-methylenedioxybenzene|4-Allylpyrocatechol|4-Allylpyrocatechol formaldehyde acetal|5-(2-Propenyl)-1,3-benzodioxole|5-19-01-00553|5-alil-1,3-benzodioxol|5-Allyl-1,3-benzodioxol|5-allyl-1,3-benzodioxole|5-allyl-benzo[1,3]dioxole|5-Allylbenzo-1,3-dioxole|Allylcatechol methylene ether|Allyldioxybenzene methylene ether|Allylpyrocatechol methylene ether|Benzene, 1,2-methylenedioxy-4-allyl-|Benzene, 4-allyl-1,2-(methylenedioxy)-|BENZO-1,3-DIOXOLE, 5-(2-PROPENYL)-|BRN 0136380|Caswell No. 729|EINECS 202-345-4|EPA Pesticide Chemical Code 097901|m-Allylpyrocatechin methylene ether|NSC 11831|RCRA waste number U203|Rhyuno oil|Safrene|safrol|Safrole MF|Sassafras|shikimol|Shikim|1406-55-9|8022-92-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021254 https://doi.org/10.22427/NTP-DATA-DTXSID0021254
ARPathway2016 ARPathway2016_1743 Safrole 94-59-7 DTXSID0021254 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless C=CCC1=CC=C2OCOC2=C1 Safrole 94-59-7|Safrole|1-Allyl-3,4-methylenedioxybenzene|1,2-Methylenedioxy-4-allylbenzene|1,3-Benzodioxole, 5-(2-propen-1-yl)-|1,3-Benzodioxole, 5-(2-propenyl)-|1,3-Benzodioxole, 5-allyl-|3-(3,4-Methylenedioxyphenyl)prop-1-ene|3, 4-Methylenedioxy-1-allylbenzene|3,4-(methylenedioxy)allylbenzene|3,4-Methylenedioxy-allylbenzene|4-Allyl-1,2-(methylenedioxy)benzene|4-allyl-1,2-methylenedioxybenzene|4-Allylpyrocatechol|4-Allylpyrocatechol formaldehyde acetal|5-(2-Propenyl)-1,3-benzodioxole|5-19-01-00553|5-alil-1,3-benzodioxol|5-Allyl-1,3-benzodioxol|5-allyl-1,3-benzodioxole|5-allyl-benzo[1,3]dioxole|5-Allylbenzo-1,3-dioxole|Allylcatechol methylene ether|Allyldioxybenzene methylene ether|Allylpyrocatechol methylene ether|Benzene, 1,2-methylenedioxy-4-allyl-|Benzene, 4-allyl-1,2-(methylenedioxy)-|BENZO-1,3-DIOXOLE, 5-(2-PROPENYL)-|BRN 0136380|Caswell No. 729|EINECS 202-345-4|EPA Pesticide Chemical Code 097901|m-Allylpyrocatechin methylene ether|NSC 11831|RCRA waste number U203|Rhyuno oil|Safrene|safrol|Safrole MF|Sassafras|shikimol|Shikim|1406-55-9|8022-92-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021254 https://doi.org/10.22427/NTP-DATA-DTXSID0021254
ERPathway2016 ERPathway2016_1754 Safrole 94-59-7 DTXSID0021254 ER Pathway Model, Agonist Model Score 0 Unitless C=CCC1=CC=C2OCOC2=C1 Safrole 94-59-7|Safrole|1-Allyl-3,4-methylenedioxybenzene|1,2-Methylenedioxy-4-allylbenzene|1,3-Benzodioxole, 5-(2-propen-1-yl)-|1,3-Benzodioxole, 5-(2-propenyl)-|1,3-Benzodioxole, 5-allyl-|3-(3,4-Methylenedioxyphenyl)prop-1-ene|3, 4-Methylenedioxy-1-allylbenzene|3,4-(methylenedioxy)allylbenzene|3,4-Methylenedioxy-allylbenzene|4-Allyl-1,2-(methylenedioxy)benzene|4-allyl-1,2-methylenedioxybenzene|4-Allylpyrocatechol|4-Allylpyrocatechol formaldehyde acetal|5-(2-Propenyl)-1,3-benzodioxole|5-19-01-00553|5-alil-1,3-benzodioxol|5-Allyl-1,3-benzodioxol|5-allyl-1,3-benzodioxole|5-allyl-benzo[1,3]dioxole|5-Allylbenzo-1,3-dioxole|Allylcatechol methylene ether|Allyldioxybenzene methylene ether|Allylpyrocatechol methylene ether|Benzene, 1,2-methylenedioxy-4-allyl-|Benzene, 4-allyl-1,2-(methylenedioxy)-|BENZO-1,3-DIOXOLE, 5-(2-PROPENYL)-|BRN 0136380|Caswell No. 729|EINECS 202-345-4|EPA Pesticide Chemical Code 097901|m-Allylpyrocatechin methylene ether|NSC 11831|RCRA waste number U203|Rhyuno oil|Safrene|safrol|Safrole MF|Sassafras|shikimol|Shikim|1406-55-9|8022-92-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021254 https://doi.org/10.22427/NTP-DATA-DTXSID0021254
ERPathway2016 ERPathway2016_1754 Safrole 94-59-7 DTXSID0021254 ER Pathway Model, Antagonist Model Score 0 Unitless C=CCC1=CC=C2OCOC2=C1 Safrole 94-59-7|Safrole|1-Allyl-3,4-methylenedioxybenzene|1,2-Methylenedioxy-4-allylbenzene|1,3-Benzodioxole, 5-(2-propen-1-yl)-|1,3-Benzodioxole, 5-(2-propenyl)-|1,3-Benzodioxole, 5-allyl-|3-(3,4-Methylenedioxyphenyl)prop-1-ene|3, 4-Methylenedioxy-1-allylbenzene|3,4-(methylenedioxy)allylbenzene|3,4-Methylenedioxy-allylbenzene|4-Allyl-1,2-(methylenedioxy)benzene|4-allyl-1,2-methylenedioxybenzene|4-Allylpyrocatechol|4-Allylpyrocatechol formaldehyde acetal|5-(2-Propenyl)-1,3-benzodioxole|5-19-01-00553|5-alil-1,3-benzodioxol|5-Allyl-1,3-benzodioxol|5-allyl-1,3-benzodioxole|5-allyl-benzo[1,3]dioxole|5-Allylbenzo-1,3-dioxole|Allylcatechol methylene ether|Allyldioxybenzene methylene ether|Allylpyrocatechol methylene ether|Benzene, 1,2-methylenedioxy-4-allyl-|Benzene, 4-allyl-1,2-(methylenedioxy)-|BENZO-1,3-DIOXOLE, 5-(2-PROPENYL)-|BRN 0136380|Caswell No. 729|EINECS 202-345-4|EPA Pesticide Chemical Code 097901|m-Allylpyrocatechin methylene ether|NSC 11831|RCRA waste number U203|Rhyuno oil|Safrene|safrol|Safrole MF|Sassafras|shikimol|Shikim|1406-55-9|8022-92-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021254 https://doi.org/10.22427/NTP-DATA-DTXSID0021254
ERPathway2016 ERPathway2016_1754 Safrole 94-59-7 DTXSID0021254 ER Pathway Model, Agonist Call Inactive Unitless C=CCC1=CC=C2OCOC2=C1 Safrole 94-59-7|Safrole|1-Allyl-3,4-methylenedioxybenzene|1,2-Methylenedioxy-4-allylbenzene|1,3-Benzodioxole, 5-(2-propen-1-yl)-|1,3-Benzodioxole, 5-(2-propenyl)-|1,3-Benzodioxole, 5-allyl-|3-(3,4-Methylenedioxyphenyl)prop-1-ene|3, 4-Methylenedioxy-1-allylbenzene|3,4-(methylenedioxy)allylbenzene|3,4-Methylenedioxy-allylbenzene|4-Allyl-1,2-(methylenedioxy)benzene|4-allyl-1,2-methylenedioxybenzene|4-Allylpyrocatechol|4-Allylpyrocatechol formaldehyde acetal|5-(2-Propenyl)-1,3-benzodioxole|5-19-01-00553|5-alil-1,3-benzodioxol|5-Allyl-1,3-benzodioxol|5-allyl-1,3-benzodioxole|5-allyl-benzo[1,3]dioxole|5-Allylbenzo-1,3-dioxole|Allylcatechol methylene ether|Allyldioxybenzene methylene ether|Allylpyrocatechol methylene ether|Benzene, 1,2-methylenedioxy-4-allyl-|Benzene, 4-allyl-1,2-(methylenedioxy)-|BENZO-1,3-DIOXOLE, 5-(2-PROPENYL)-|BRN 0136380|Caswell No. 729|EINECS 202-345-4|EPA Pesticide Chemical Code 097901|m-Allylpyrocatechin methylene ether|NSC 11831|RCRA waste number U203|Rhyuno oil|Safrene|safrol|Safrole MF|Sassafras|shikimol|Shikim|1406-55-9|8022-92-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021254 https://doi.org/10.22427/NTP-DATA-DTXSID0021254
ERPathway2016 ERPathway2016_1754 Safrole 94-59-7 DTXSID0021254 ER Pathway Model, Antagonist Call Inactive Unitless C=CCC1=CC=C2OCOC2=C1 Safrole 94-59-7|Safrole|1-Allyl-3,4-methylenedioxybenzene|1,2-Methylenedioxy-4-allylbenzene|1,3-Benzodioxole, 5-(2-propen-1-yl)-|1,3-Benzodioxole, 5-(2-propenyl)-|1,3-Benzodioxole, 5-allyl-|3-(3,4-Methylenedioxyphenyl)prop-1-ene|3, 4-Methylenedioxy-1-allylbenzene|3,4-(methylenedioxy)allylbenzene|3,4-Methylenedioxy-allylbenzene|4-Allyl-1,2-(methylenedioxy)benzene|4-allyl-1,2-methylenedioxybenzene|4-Allylpyrocatechol|4-Allylpyrocatechol formaldehyde acetal|5-(2-Propenyl)-1,3-benzodioxole|5-19-01-00553|5-alil-1,3-benzodioxol|5-Allyl-1,3-benzodioxol|5-allyl-1,3-benzodioxole|5-allyl-benzo[1,3]dioxole|5-Allylbenzo-1,3-dioxole|Allylcatechol methylene ether|Allyldioxybenzene methylene ether|Allylpyrocatechol methylene ether|Benzene, 1,2-methylenedioxy-4-allyl-|Benzene, 4-allyl-1,2-(methylenedioxy)-|BENZO-1,3-DIOXOLE, 5-(2-PROPENYL)-|BRN 0136380|Caswell No. 729|EINECS 202-345-4|EPA Pesticide Chemical Code 097901|m-Allylpyrocatechin methylene ether|NSC 11831|RCRA waste number U203|Rhyuno oil|Safrene|safrol|Safrole MF|Sassafras|shikimol|Shikim|1406-55-9|8022-92-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021254 https://doi.org/10.22427/NTP-DATA-DTXSID0021254
ARPathway2016 ARPathway2016_1693 Salicylaldehyde 90-02-8 DTXSID1021792 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=CC=C1C=O Salicylaldehyde 90-02-8|Salicylaldehyde|2-Formylphenol|2-Hydroxy-benzaldehyde|2-Hydroxybenzaldehyde|4-08-00-00176|Benzaldehyde, 2-hydroxy-|Benzaldehyde, o-hydroxy-|BRN 0471388|EINECS 201-961-0|FEMA 3004|FEMA No. 3004|NSC 112278|NSC 49178|NSC 83559|NSC 83560|NSC 83561|NSC 83562|NSC 97202|o-Formylphenol|o-Hydroxybenzaldehyde|salicilaldehido|SALICYCLIC-ALDEHYDE|Salicyladehyde|Salicylal|Salicylaldehyd|Salicylaldehyde, 8CI|Salicylic aldehyde|Salizylaldehyd|UNII-17K64GZH20|1563136-87-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021792
ARPathway2016 ARPathway2016_1693 Salicylaldehyde 90-02-8 DTXSID1021792 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC1=CC=CC=C1C=O Salicylaldehyde 90-02-8|Salicylaldehyde|2-Formylphenol|2-Hydroxy-benzaldehyde|2-Hydroxybenzaldehyde|4-08-00-00176|Benzaldehyde, 2-hydroxy-|Benzaldehyde, o-hydroxy-|BRN 0471388|EINECS 201-961-0|FEMA 3004|FEMA No. 3004|NSC 112278|NSC 49178|NSC 83559|NSC 83560|NSC 83561|NSC 83562|NSC 97202|o-Formylphenol|o-Hydroxybenzaldehyde|salicilaldehido|SALICYCLIC-ALDEHYDE|Salicyladehyde|Salicylal|Salicylaldehyd|Salicylaldehyde, 8CI|Salicylic aldehyde|Salizylaldehyd|UNII-17K64GZH20|1563136-87-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021792
ARPathway2016 ARPathway2016_1693 Salicylaldehyde 90-02-8 DTXSID1021792 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC1=CC=CC=C1C=O Salicylaldehyde 90-02-8|Salicylaldehyde|2-Formylphenol|2-Hydroxy-benzaldehyde|2-Hydroxybenzaldehyde|4-08-00-00176|Benzaldehyde, 2-hydroxy-|Benzaldehyde, o-hydroxy-|BRN 0471388|EINECS 201-961-0|FEMA 3004|FEMA No. 3004|NSC 112278|NSC 49178|NSC 83559|NSC 83560|NSC 83561|NSC 83562|NSC 97202|o-Formylphenol|o-Hydroxybenzaldehyde|salicilaldehido|SALICYCLIC-ALDEHYDE|Salicyladehyde|Salicylal|Salicylaldehyd|Salicylaldehyde, 8CI|Salicylic aldehyde|Salizylaldehyd|UNII-17K64GZH20|1563136-87-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021792
ARPathway2016 ARPathway2016_1693 Salicylaldehyde 90-02-8 DTXSID1021792 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC1=CC=CC=C1C=O Salicylaldehyde 90-02-8|Salicylaldehyde|2-Formylphenol|2-Hydroxy-benzaldehyde|2-Hydroxybenzaldehyde|4-08-00-00176|Benzaldehyde, 2-hydroxy-|Benzaldehyde, o-hydroxy-|BRN 0471388|EINECS 201-961-0|FEMA 3004|FEMA No. 3004|NSC 112278|NSC 49178|NSC 83559|NSC 83560|NSC 83561|NSC 83562|NSC 97202|o-Formylphenol|o-Hydroxybenzaldehyde|salicilaldehido|SALICYCLIC-ALDEHYDE|Salicyladehyde|Salicylal|Salicylaldehyd|Salicylaldehyde, 8CI|Salicylic aldehyde|Salizylaldehyd|UNII-17K64GZH20|1563136-87-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021792
ERPathway2016 ERPathway2016_311 Salicylaldehyde 90-02-8 DTXSID1021792 ER Pathway Model, Antagonist AC50 58.3315401426754 uM OC1=CC=CC=C1C=O Salicylaldehyde 90-02-8|Salicylaldehyde|2-Formylphenol|2-Hydroxy-benzaldehyde|2-Hydroxybenzaldehyde|4-08-00-00176|Benzaldehyde, 2-hydroxy-|Benzaldehyde, o-hydroxy-|BRN 0471388|EINECS 201-961-0|FEMA 3004|FEMA No. 3004|NSC 112278|NSC 49178|NSC 83559|NSC 83560|NSC 83561|NSC 83562|NSC 97202|o-Formylphenol|o-Hydroxybenzaldehyde|salicilaldehido|SALICYCLIC-ALDEHYDE|Salicyladehyde|Salicylal|Salicylaldehyd|Salicylaldehyde, 8CI|Salicylic aldehyde|Salizylaldehyd|UNII-17K64GZH20|1563136-87-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021792
ERPathway2016 ERPathway2016_311 Salicylaldehyde 90-02-8 DTXSID1021792 ER Pathway Model, Antagonist ACC 50.401362189763 uM OC1=CC=CC=C1C=O Salicylaldehyde 90-02-8|Salicylaldehyde|2-Formylphenol|2-Hydroxy-benzaldehyde|2-Hydroxybenzaldehyde|4-08-00-00176|Benzaldehyde, 2-hydroxy-|Benzaldehyde, o-hydroxy-|BRN 0471388|EINECS 201-961-0|FEMA 3004|FEMA No. 3004|NSC 112278|NSC 49178|NSC 83559|NSC 83560|NSC 83561|NSC 83562|NSC 97202|o-Formylphenol|o-Hydroxybenzaldehyde|salicilaldehido|SALICYCLIC-ALDEHYDE|Salicyladehyde|Salicylal|Salicylaldehyd|Salicylaldehyde, 8CI|Salicylic aldehyde|Salizylaldehyd|UNII-17K64GZH20|1563136-87-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021792
ERPathway2016 ERPathway2016_311 Salicylaldehyde 90-02-8 DTXSID1021792 ER Pathway Model, Agonist Model Score 0.0288 Unitless OC1=CC=CC=C1C=O Salicylaldehyde 90-02-8|Salicylaldehyde|2-Formylphenol|2-Hydroxy-benzaldehyde|2-Hydroxybenzaldehyde|4-08-00-00176|Benzaldehyde, 2-hydroxy-|Benzaldehyde, o-hydroxy-|BRN 0471388|EINECS 201-961-0|FEMA 3004|FEMA No. 3004|NSC 112278|NSC 49178|NSC 83559|NSC 83560|NSC 83561|NSC 83562|NSC 97202|o-Formylphenol|o-Hydroxybenzaldehyde|salicilaldehido|SALICYCLIC-ALDEHYDE|Salicyladehyde|Salicylal|Salicylaldehyd|Salicylaldehyde, 8CI|Salicylic aldehyde|Salizylaldehyd|UNII-17K64GZH20|1563136-87-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021792
ERPathway2016 ERPathway2016_311 Salicylaldehyde 90-02-8 DTXSID1021792 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=CC=CC=C1C=O Salicylaldehyde 90-02-8|Salicylaldehyde|2-Formylphenol|2-Hydroxy-benzaldehyde|2-Hydroxybenzaldehyde|4-08-00-00176|Benzaldehyde, 2-hydroxy-|Benzaldehyde, o-hydroxy-|BRN 0471388|EINECS 201-961-0|FEMA 3004|FEMA No. 3004|NSC 112278|NSC 49178|NSC 83559|NSC 83560|NSC 83561|NSC 83562|NSC 97202|o-Formylphenol|o-Hydroxybenzaldehyde|salicilaldehido|SALICYCLIC-ALDEHYDE|Salicyladehyde|Salicylal|Salicylaldehyd|Salicylaldehyde, 8CI|Salicylic aldehyde|Salizylaldehyd|UNII-17K64GZH20|1563136-87-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021792
ERPathway2016 ERPathway2016_311 Salicylaldehyde 90-02-8 DTXSID1021792 ER Pathway Model, Agonist Call Inactive Unitless OC1=CC=CC=C1C=O Salicylaldehyde 90-02-8|Salicylaldehyde|2-Formylphenol|2-Hydroxy-benzaldehyde|2-Hydroxybenzaldehyde|4-08-00-00176|Benzaldehyde, 2-hydroxy-|Benzaldehyde, o-hydroxy-|BRN 0471388|EINECS 201-961-0|FEMA 3004|FEMA No. 3004|NSC 112278|NSC 49178|NSC 83559|NSC 83560|NSC 83561|NSC 83562|NSC 97202|o-Formylphenol|o-Hydroxybenzaldehyde|salicilaldehido|SALICYCLIC-ALDEHYDE|Salicyladehyde|Salicylal|Salicylaldehyd|Salicylaldehyde, 8CI|Salicylic aldehyde|Salizylaldehyd|UNII-17K64GZH20|1563136-87-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021792
ERPathway2016 ERPathway2016_311 Salicylaldehyde 90-02-8 DTXSID1021792 ER Pathway Model, Antagonist Call Active Unitless OC1=CC=CC=C1C=O Salicylaldehyde 90-02-8|Salicylaldehyde|2-Formylphenol|2-Hydroxy-benzaldehyde|2-Hydroxybenzaldehyde|4-08-00-00176|Benzaldehyde, 2-hydroxy-|Benzaldehyde, o-hydroxy-|BRN 0471388|EINECS 201-961-0|FEMA 3004|FEMA No. 3004|NSC 112278|NSC 49178|NSC 83559|NSC 83560|NSC 83561|NSC 83562|NSC 97202|o-Formylphenol|o-Hydroxybenzaldehyde|salicilaldehido|SALICYCLIC-ALDEHYDE|Salicyladehyde|Salicylal|Salicylaldehyd|Salicylaldehyde, 8CI|Salicylic aldehyde|Salizylaldehyd|UNII-17K64GZH20|1563136-87-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021792
ARPathway2016 ARPathway2016_1451 Salicylamide 65-45-2 DTXSID3021726 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC(=O)C1=CC=CC=C1O Salicylamide 65-45-2|Salicylamide|2-Carbamoylphenol|2-Carboxamidophenol|2-Hydroxybenzamide|2-Hydroxybenzamide (Salicylamide) (o-Hydroxybenzamide)|4-10-00-00169|Afko-Sal|Algamon|Algiamida|Allevin|Amid kyseliny salicylove|Amid-Sal|Amidosal|Andasol|Benesal|Benzamide, 2-hydroxy-|Benzamide, o-hydroxy-|Benzoic acid, 2-hydroxy-, amide|BRN 0742439|Cetamide|Cymidon|Dolomide|Dropsprin|Eggosalil|EINECS 200-609-3|Flarpirina|Liquiprin|Morsarinas|Novecyl|NSC 3115|NSC 83150|o-Hydroxybenzamide|OHB|Panithal|Raspberin|Salamid|Salamide|Saliamid|Saliamin|salicilamida|Salicilamide|Salicim|Salicylamid|Salicylamidum|Salicylic acid amide|Salipur|Salizell|Salymid|Serramida|UNII-EM8BM710ZC|Urtosal https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021726 https://doi.org/10.22427/NTP-DATA-DTXSID3021726
ARPathway2016 ARPathway2016_1451 Salicylamide 65-45-2 DTXSID3021726 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC(=O)C1=CC=CC=C1O Salicylamide 65-45-2|Salicylamide|2-Carbamoylphenol|2-Carboxamidophenol|2-Hydroxybenzamide|2-Hydroxybenzamide (Salicylamide) (o-Hydroxybenzamide)|4-10-00-00169|Afko-Sal|Algamon|Algiamida|Allevin|Amid kyseliny salicylove|Amid-Sal|Amidosal|Andasol|Benesal|Benzamide, 2-hydroxy-|Benzamide, o-hydroxy-|Benzoic acid, 2-hydroxy-, amide|BRN 0742439|Cetamide|Cymidon|Dolomide|Dropsprin|Eggosalil|EINECS 200-609-3|Flarpirina|Liquiprin|Morsarinas|Novecyl|NSC 3115|NSC 83150|o-Hydroxybenzamide|OHB|Panithal|Raspberin|Salamid|Salamide|Saliamid|Saliamin|salicilamida|Salicilamide|Salicim|Salicylamid|Salicylamidum|Salicylic acid amide|Salipur|Salizell|Salymid|Serramida|UNII-EM8BM710ZC|Urtosal https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021726 https://doi.org/10.22427/NTP-DATA-DTXSID3021726
ARPathway2016 ARPathway2016_1451 Salicylamide 65-45-2 DTXSID3021726 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC(=O)C1=CC=CC=C1O Salicylamide 65-45-2|Salicylamide|2-Carbamoylphenol|2-Carboxamidophenol|2-Hydroxybenzamide|2-Hydroxybenzamide (Salicylamide) (o-Hydroxybenzamide)|4-10-00-00169|Afko-Sal|Algamon|Algiamida|Allevin|Amid kyseliny salicylove|Amid-Sal|Amidosal|Andasol|Benesal|Benzamide, 2-hydroxy-|Benzamide, o-hydroxy-|Benzoic acid, 2-hydroxy-, amide|BRN 0742439|Cetamide|Cymidon|Dolomide|Dropsprin|Eggosalil|EINECS 200-609-3|Flarpirina|Liquiprin|Morsarinas|Novecyl|NSC 3115|NSC 83150|o-Hydroxybenzamide|OHB|Panithal|Raspberin|Salamid|Salamide|Saliamid|Saliamin|salicilamida|Salicilamide|Salicim|Salicylamid|Salicylamidum|Salicylic acid amide|Salipur|Salizell|Salymid|Serramida|UNII-EM8BM710ZC|Urtosal https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021726 https://doi.org/10.22427/NTP-DATA-DTXSID3021726
ARPathway2016 ARPathway2016_1451 Salicylamide 65-45-2 DTXSID3021726 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC(=O)C1=CC=CC=C1O Salicylamide 65-45-2|Salicylamide|2-Carbamoylphenol|2-Carboxamidophenol|2-Hydroxybenzamide|2-Hydroxybenzamide (Salicylamide) (o-Hydroxybenzamide)|4-10-00-00169|Afko-Sal|Algamon|Algiamida|Allevin|Amid kyseliny salicylove|Amid-Sal|Amidosal|Andasol|Benesal|Benzamide, 2-hydroxy-|Benzamide, o-hydroxy-|Benzoic acid, 2-hydroxy-, amide|BRN 0742439|Cetamide|Cymidon|Dolomide|Dropsprin|Eggosalil|EINECS 200-609-3|Flarpirina|Liquiprin|Morsarinas|Novecyl|NSC 3115|NSC 83150|o-Hydroxybenzamide|OHB|Panithal|Raspberin|Salamid|Salamide|Saliamid|Saliamin|salicilamida|Salicilamide|Salicim|Salicylamid|Salicylamidum|Salicylic acid amide|Salipur|Salizell|Salymid|Serramida|UNII-EM8BM710ZC|Urtosal https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021726 https://doi.org/10.22427/NTP-DATA-DTXSID3021726
ERPathway2016 ERPathway2016_1599 Salicylamide 65-45-2 DTXSID3021726 ER Pathway Model, Agonist Model Score 0 Unitless NC(=O)C1=CC=CC=C1O Salicylamide 65-45-2|Salicylamide|2-Carbamoylphenol|2-Carboxamidophenol|2-Hydroxybenzamide|2-Hydroxybenzamide (Salicylamide) (o-Hydroxybenzamide)|4-10-00-00169|Afko-Sal|Algamon|Algiamida|Allevin|Amid kyseliny salicylove|Amid-Sal|Amidosal|Andasol|Benesal|Benzamide, 2-hydroxy-|Benzamide, o-hydroxy-|Benzoic acid, 2-hydroxy-, amide|BRN 0742439|Cetamide|Cymidon|Dolomide|Dropsprin|Eggosalil|EINECS 200-609-3|Flarpirina|Liquiprin|Morsarinas|Novecyl|NSC 3115|NSC 83150|o-Hydroxybenzamide|OHB|Panithal|Raspberin|Salamid|Salamide|Saliamid|Saliamin|salicilamida|Salicilamide|Salicim|Salicylamid|Salicylamidum|Salicylic acid amide|Salipur|Salizell|Salymid|Serramida|UNII-EM8BM710ZC|Urtosal https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021726 https://doi.org/10.22427/NTP-DATA-DTXSID3021726
ERPathway2016 ERPathway2016_1599 Salicylamide 65-45-2 DTXSID3021726 ER Pathway Model, Antagonist Model Score 0 Unitless NC(=O)C1=CC=CC=C1O Salicylamide 65-45-2|Salicylamide|2-Carbamoylphenol|2-Carboxamidophenol|2-Hydroxybenzamide|2-Hydroxybenzamide (Salicylamide) (o-Hydroxybenzamide)|4-10-00-00169|Afko-Sal|Algamon|Algiamida|Allevin|Amid kyseliny salicylove|Amid-Sal|Amidosal|Andasol|Benesal|Benzamide, 2-hydroxy-|Benzamide, o-hydroxy-|Benzoic acid, 2-hydroxy-, amide|BRN 0742439|Cetamide|Cymidon|Dolomide|Dropsprin|Eggosalil|EINECS 200-609-3|Flarpirina|Liquiprin|Morsarinas|Novecyl|NSC 3115|NSC 83150|o-Hydroxybenzamide|OHB|Panithal|Raspberin|Salamid|Salamide|Saliamid|Saliamin|salicilamida|Salicilamide|Salicim|Salicylamid|Salicylamidum|Salicylic acid amide|Salipur|Salizell|Salymid|Serramida|UNII-EM8BM710ZC|Urtosal https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021726 https://doi.org/10.22427/NTP-DATA-DTXSID3021726
ERPathway2016 ERPathway2016_1599 Salicylamide 65-45-2 DTXSID3021726 ER Pathway Model, Agonist Call Inactive Unitless NC(=O)C1=CC=CC=C1O Salicylamide 65-45-2|Salicylamide|2-Carbamoylphenol|2-Carboxamidophenol|2-Hydroxybenzamide|2-Hydroxybenzamide (Salicylamide) (o-Hydroxybenzamide)|4-10-00-00169|Afko-Sal|Algamon|Algiamida|Allevin|Amid kyseliny salicylove|Amid-Sal|Amidosal|Andasol|Benesal|Benzamide, 2-hydroxy-|Benzamide, o-hydroxy-|Benzoic acid, 2-hydroxy-, amide|BRN 0742439|Cetamide|Cymidon|Dolomide|Dropsprin|Eggosalil|EINECS 200-609-3|Flarpirina|Liquiprin|Morsarinas|Novecyl|NSC 3115|NSC 83150|o-Hydroxybenzamide|OHB|Panithal|Raspberin|Salamid|Salamide|Saliamid|Saliamin|salicilamida|Salicilamide|Salicim|Salicylamid|Salicylamidum|Salicylic acid amide|Salipur|Salizell|Salymid|Serramida|UNII-EM8BM710ZC|Urtosal https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021726 https://doi.org/10.22427/NTP-DATA-DTXSID3021726
ERPathway2016 ERPathway2016_1599 Salicylamide 65-45-2 DTXSID3021726 ER Pathway Model, Antagonist Call Inactive Unitless NC(=O)C1=CC=CC=C1O Salicylamide 65-45-2|Salicylamide|2-Carbamoylphenol|2-Carboxamidophenol|2-Hydroxybenzamide|2-Hydroxybenzamide (Salicylamide) (o-Hydroxybenzamide)|4-10-00-00169|Afko-Sal|Algamon|Algiamida|Allevin|Amid kyseliny salicylove|Amid-Sal|Amidosal|Andasol|Benesal|Benzamide, 2-hydroxy-|Benzamide, o-hydroxy-|Benzoic acid, 2-hydroxy-, amide|BRN 0742439|Cetamide|Cymidon|Dolomide|Dropsprin|Eggosalil|EINECS 200-609-3|Flarpirina|Liquiprin|Morsarinas|Novecyl|NSC 3115|NSC 83150|o-Hydroxybenzamide|OHB|Panithal|Raspberin|Salamid|Salamide|Saliamid|Saliamin|salicilamida|Salicilamide|Salicim|Salicylamid|Salicylamidum|Salicylic acid amide|Salipur|Salizell|Salymid|Serramida|UNII-EM8BM710ZC|Urtosal https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021726 https://doi.org/10.22427/NTP-DATA-DTXSID3021726
ARPathway2016 ARPathway2016_1499 Salicylic acid 69-72-7 DTXSID7026368 1.0 A7 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=C(O)C=CC=C1 Salicylic acid 69-72-7|Salicylic acid|2-Carboxyphenol|2-Hydroxybenzenecarboxylate|2-Hydroxybenzenecarboxylic acid|2-Hydroxybenzoate|2-Hydroxybenzoic acid|Acide salicylique|Acido o-idrossibenzoico|acido salicilico|Acidum salicylicum|Advanced Pain Relief Callus Removers|Advanced Pain Relief Corn Removers|Akurza Cream|Akurza Lotion|Benzoic acid, 2-hydroxy-|BRN 0774890|Caswell No. 731|Clear away Wart Remover|Compound W|DHS Sal Shampoo|Dr. Scholl's Callus Removers|Dr. Scholl's Corn Removers|Dr. Scholl's Wart Remover Kit|Duofil Wart Remover|Duoplant|DuoPlant Gel|Durasal|EINECS 200-712-3|EPA Pesticide Chemical Code 076602|Freezone|Hydrisalic Gel|Ionil|Ionil Plus|K 537|K 557|Kyselina 2-hydroxybenzoova|Kyselina salicylova|Mediplast pads|NSC 180|o-Carboxyphenol|O-Hydroxybenzoate|o-Hydroxybenzoic acid|ORTHOHYDROXY BENZOIC ACID|Orthohydroxybenzoic acid|P&S Shampoo|Phenol-2-carboxylate|Phenol-2-carboxylic acid|Propa pH Peel-Off Acne Mask|Psoriacid-S-Stift|Retarder W|Rutranex|Salex Cream|Salex Lotion|SALICYCLIC ACID|Salicyclic acid (SA) (Benzoic acid, 2-hydrox|1186130-36-8|7681-06-3|8052-31-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026368
ARPathway2016 ARPathway2016_1499 Salicylic acid 69-72-7 DTXSID7026368 1.0 A7 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=C(O)C=CC=C1 Salicylic acid 69-72-7|Salicylic acid|2-Carboxyphenol|2-Hydroxybenzenecarboxylate|2-Hydroxybenzenecarboxylic acid|2-Hydroxybenzoate|2-Hydroxybenzoic acid|Acide salicylique|Acido o-idrossibenzoico|acido salicilico|Acidum salicylicum|Advanced Pain Relief Callus Removers|Advanced Pain Relief Corn Removers|Akurza Cream|Akurza Lotion|Benzoic acid, 2-hydroxy-|BRN 0774890|Caswell No. 731|Clear away Wart Remover|Compound W|DHS Sal Shampoo|Dr. Scholl's Callus Removers|Dr. Scholl's Corn Removers|Dr. Scholl's Wart Remover Kit|Duofil Wart Remover|Duoplant|DuoPlant Gel|Durasal|EINECS 200-712-3|EPA Pesticide Chemical Code 076602|Freezone|Hydrisalic Gel|Ionil|Ionil Plus|K 537|K 557|Kyselina 2-hydroxybenzoova|Kyselina salicylova|Mediplast pads|NSC 180|o-Carboxyphenol|O-Hydroxybenzoate|o-Hydroxybenzoic acid|ORTHOHYDROXY BENZOIC ACID|Orthohydroxybenzoic acid|P&S Shampoo|Phenol-2-carboxylate|Phenol-2-carboxylic acid|Propa pH Peel-Off Acne Mask|Psoriacid-S-Stift|Retarder W|Rutranex|Salex Cream|Salex Lotion|SALICYCLIC ACID|Salicyclic acid (SA) (Benzoic acid, 2-hydrox|1186130-36-8|7681-06-3|8052-31-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026368
ARPathway2016 ARPathway2016_1499 Salicylic acid 69-72-7 DTXSID7026368 1.0 A7 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=C(O)C=CC=C1 Salicylic acid 69-72-7|Salicylic acid|2-Carboxyphenol|2-Hydroxybenzenecarboxylate|2-Hydroxybenzenecarboxylic acid|2-Hydroxybenzoate|2-Hydroxybenzoic acid|Acide salicylique|Acido o-idrossibenzoico|acido salicilico|Acidum salicylicum|Advanced Pain Relief Callus Removers|Advanced Pain Relief Corn Removers|Akurza Cream|Akurza Lotion|Benzoic acid, 2-hydroxy-|BRN 0774890|Caswell No. 731|Clear away Wart Remover|Compound W|DHS Sal Shampoo|Dr. Scholl's Callus Removers|Dr. Scholl's Corn Removers|Dr. Scholl's Wart Remover Kit|Duofil Wart Remover|Duoplant|DuoPlant Gel|Durasal|EINECS 200-712-3|EPA Pesticide Chemical Code 076602|Freezone|Hydrisalic Gel|Ionil|Ionil Plus|K 537|K 557|Kyselina 2-hydroxybenzoova|Kyselina salicylova|Mediplast pads|NSC 180|o-Carboxyphenol|O-Hydroxybenzoate|o-Hydroxybenzoic acid|ORTHOHYDROXY BENZOIC ACID|Orthohydroxybenzoic acid|P&S Shampoo|Phenol-2-carboxylate|Phenol-2-carboxylic acid|Propa pH Peel-Off Acne Mask|Psoriacid-S-Stift|Retarder W|Rutranex|Salex Cream|Salex Lotion|SALICYCLIC ACID|Salicyclic acid (SA) (Benzoic acid, 2-hydrox|1186130-36-8|7681-06-3|8052-31-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026368
ARPathway2016 ARPathway2016_1499 Salicylic acid 69-72-7 DTXSID7026368 1.0 A7 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=C(O)C=CC=C1 Salicylic acid 69-72-7|Salicylic acid|2-Carboxyphenol|2-Hydroxybenzenecarboxylate|2-Hydroxybenzenecarboxylic acid|2-Hydroxybenzoate|2-Hydroxybenzoic acid|Acide salicylique|Acido o-idrossibenzoico|acido salicilico|Acidum salicylicum|Advanced Pain Relief Callus Removers|Advanced Pain Relief Corn Removers|Akurza Cream|Akurza Lotion|Benzoic acid, 2-hydroxy-|BRN 0774890|Caswell No. 731|Clear away Wart Remover|Compound W|DHS Sal Shampoo|Dr. Scholl's Callus Removers|Dr. Scholl's Corn Removers|Dr. Scholl's Wart Remover Kit|Duofil Wart Remover|Duoplant|DuoPlant Gel|Durasal|EINECS 200-712-3|EPA Pesticide Chemical Code 076602|Freezone|Hydrisalic Gel|Ionil|Ionil Plus|K 537|K 557|Kyselina 2-hydroxybenzoova|Kyselina salicylova|Mediplast pads|NSC 180|o-Carboxyphenol|O-Hydroxybenzoate|o-Hydroxybenzoic acid|ORTHOHYDROXY BENZOIC ACID|Orthohydroxybenzoic acid|P&S Shampoo|Phenol-2-carboxylate|Phenol-2-carboxylic acid|Propa pH Peel-Off Acne Mask|Psoriacid-S-Stift|Retarder W|Rutranex|Salex Cream|Salex Lotion|SALICYCLIC ACID|Salicyclic acid (SA) (Benzoic acid, 2-hydrox|1186130-36-8|7681-06-3|8052-31-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026368
ERPathway2016 ERPathway2016_1620 Salicylic acid 69-72-7 DTXSID7026368 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=C(O)C=CC=C1 Salicylic acid 69-72-7|Salicylic acid|2-Carboxyphenol|2-Hydroxybenzenecarboxylate|2-Hydroxybenzenecarboxylic acid|2-Hydroxybenzoate|2-Hydroxybenzoic acid|Acide salicylique|Acido o-idrossibenzoico|acido salicilico|Acidum salicylicum|Advanced Pain Relief Callus Removers|Advanced Pain Relief Corn Removers|Akurza Cream|Akurza Lotion|Benzoic acid, 2-hydroxy-|BRN 0774890|Caswell No. 731|Clear away Wart Remover|Compound W|DHS Sal Shampoo|Dr. Scholl's Callus Removers|Dr. Scholl's Corn Removers|Dr. Scholl's Wart Remover Kit|Duofil Wart Remover|Duoplant|DuoPlant Gel|Durasal|EINECS 200-712-3|EPA Pesticide Chemical Code 076602|Freezone|Hydrisalic Gel|Ionil|Ionil Plus|K 537|K 557|Kyselina 2-hydroxybenzoova|Kyselina salicylova|Mediplast pads|NSC 180|o-Carboxyphenol|O-Hydroxybenzoate|o-Hydroxybenzoic acid|ORTHOHYDROXY BENZOIC ACID|Orthohydroxybenzoic acid|P&S Shampoo|Phenol-2-carboxylate|Phenol-2-carboxylic acid|Propa pH Peel-Off Acne Mask|Psoriacid-S-Stift|Retarder W|Rutranex|Salex Cream|Salex Lotion|SALICYCLIC ACID|Salicyclic acid (SA) (Benzoic acid, 2-hydrox|1186130-36-8|7681-06-3|8052-31-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026368
ERPathway2016 ERPathway2016_1620 Salicylic acid 69-72-7 DTXSID7026368 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=C(O)C=CC=C1 Salicylic acid 69-72-7|Salicylic acid|2-Carboxyphenol|2-Hydroxybenzenecarboxylate|2-Hydroxybenzenecarboxylic acid|2-Hydroxybenzoate|2-Hydroxybenzoic acid|Acide salicylique|Acido o-idrossibenzoico|acido salicilico|Acidum salicylicum|Advanced Pain Relief Callus Removers|Advanced Pain Relief Corn Removers|Akurza Cream|Akurza Lotion|Benzoic acid, 2-hydroxy-|BRN 0774890|Caswell No. 731|Clear away Wart Remover|Compound W|DHS Sal Shampoo|Dr. Scholl's Callus Removers|Dr. Scholl's Corn Removers|Dr. Scholl's Wart Remover Kit|Duofil Wart Remover|Duoplant|DuoPlant Gel|Durasal|EINECS 200-712-3|EPA Pesticide Chemical Code 076602|Freezone|Hydrisalic Gel|Ionil|Ionil Plus|K 537|K 557|Kyselina 2-hydroxybenzoova|Kyselina salicylova|Mediplast pads|NSC 180|o-Carboxyphenol|O-Hydroxybenzoate|o-Hydroxybenzoic acid|ORTHOHYDROXY BENZOIC ACID|Orthohydroxybenzoic acid|P&S Shampoo|Phenol-2-carboxylate|Phenol-2-carboxylic acid|Propa pH Peel-Off Acne Mask|Psoriacid-S-Stift|Retarder W|Rutranex|Salex Cream|Salex Lotion|SALICYCLIC ACID|Salicyclic acid (SA) (Benzoic acid, 2-hydrox|1186130-36-8|7681-06-3|8052-31-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026368
ERPathway2016 ERPathway2016_1620 Salicylic acid 69-72-7 DTXSID7026368 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=C(O)C=CC=C1 Salicylic acid 69-72-7|Salicylic acid|2-Carboxyphenol|2-Hydroxybenzenecarboxylate|2-Hydroxybenzenecarboxylic acid|2-Hydroxybenzoate|2-Hydroxybenzoic acid|Acide salicylique|Acido o-idrossibenzoico|acido salicilico|Acidum salicylicum|Advanced Pain Relief Callus Removers|Advanced Pain Relief Corn Removers|Akurza Cream|Akurza Lotion|Benzoic acid, 2-hydroxy-|BRN 0774890|Caswell No. 731|Clear away Wart Remover|Compound W|DHS Sal Shampoo|Dr. Scholl's Callus Removers|Dr. Scholl's Corn Removers|Dr. Scholl's Wart Remover Kit|Duofil Wart Remover|Duoplant|DuoPlant Gel|Durasal|EINECS 200-712-3|EPA Pesticide Chemical Code 076602|Freezone|Hydrisalic Gel|Ionil|Ionil Plus|K 537|K 557|Kyselina 2-hydroxybenzoova|Kyselina salicylova|Mediplast pads|NSC 180|o-Carboxyphenol|O-Hydroxybenzoate|o-Hydroxybenzoic acid|ORTHOHYDROXY BENZOIC ACID|Orthohydroxybenzoic acid|P&S Shampoo|Phenol-2-carboxylate|Phenol-2-carboxylic acid|Propa pH Peel-Off Acne Mask|Psoriacid-S-Stift|Retarder W|Rutranex|Salex Cream|Salex Lotion|SALICYCLIC ACID|Salicyclic acid (SA) (Benzoic acid, 2-hydrox|1186130-36-8|7681-06-3|8052-31-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026368
ERPathway2016 ERPathway2016_1620 Salicylic acid 69-72-7 DTXSID7026368 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=C(O)C=CC=C1 Salicylic acid 69-72-7|Salicylic acid|2-Carboxyphenol|2-Hydroxybenzenecarboxylate|2-Hydroxybenzenecarboxylic acid|2-Hydroxybenzoate|2-Hydroxybenzoic acid|Acide salicylique|Acido o-idrossibenzoico|acido salicilico|Acidum salicylicum|Advanced Pain Relief Callus Removers|Advanced Pain Relief Corn Removers|Akurza Cream|Akurza Lotion|Benzoic acid, 2-hydroxy-|BRN 0774890|Caswell No. 731|Clear away Wart Remover|Compound W|DHS Sal Shampoo|Dr. Scholl's Callus Removers|Dr. Scholl's Corn Removers|Dr. Scholl's Wart Remover Kit|Duofil Wart Remover|Duoplant|DuoPlant Gel|Durasal|EINECS 200-712-3|EPA Pesticide Chemical Code 076602|Freezone|Hydrisalic Gel|Ionil|Ionil Plus|K 537|K 557|Kyselina 2-hydroxybenzoova|Kyselina salicylova|Mediplast pads|NSC 180|o-Carboxyphenol|O-Hydroxybenzoate|o-Hydroxybenzoic acid|ORTHOHYDROXY BENZOIC ACID|Orthohydroxybenzoic acid|P&S Shampoo|Phenol-2-carboxylate|Phenol-2-carboxylic acid|Propa pH Peel-Off Acne Mask|Psoriacid-S-Stift|Retarder W|Rutranex|Salex Cream|Salex Lotion|SALICYCLIC ACID|Salicyclic acid (SA) (Benzoic acid, 2-hydrox|1186130-36-8|7681-06-3|8052-31-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026368
ARPathway2016 ARPathway2016_340 SAR 150640 433212-21-6 DTXSID4047389 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 29.2113255478391 uM Cl.CCOC(=O)C1=CC=C(C=C1)[C@H]1CC[C@@H](CC1)NC[C@H](O)COC1=CC=C(O)C(NS(C)(=O)=O)=C1 SAR 150640 433212-21-6|SAR 150640|Benzoic acid, 4- [trans- 4- [[(2S) - 2- hydroxy- 3- [4- hydroxy- 3- [(methylsulfonyl) amino] phenoxy] propyl] amino] cyclohexyl] - , ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-[trans-4-[[(2S)-2-hydroxy-3-[4-hydroxy-3-[(methylsulfonyl)amino]phenoxy]propyl]amino]cyclohexyl]-, ethyl ester, monohydrochloride|Ethyl 4-(trans-4-{[(2S)-2-hydroxy-3-{4-hydroxy-3-[(methanesulfonyl)amino]phenoxy}propyl]amino}cyclohexyl)benzoate-hydrogen chloride (1:1)|SAR150640 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047389
ARPathway2016 ARPathway2016_340 SAR 150640 433212-21-6 DTXSID4047389 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 25.1888683107114 uM Cl.CCOC(=O)C1=CC=C(C=C1)[C@H]1CC[C@@H](CC1)NC[C@H](O)COC1=CC=C(O)C(NS(C)(=O)=O)=C1 SAR 150640 433212-21-6|SAR 150640|Benzoic acid, 4- [trans- 4- [[(2S) - 2- hydroxy- 3- [4- hydroxy- 3- [(methylsulfonyl) amino] phenoxy] propyl] amino] cyclohexyl] - , ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-[trans-4-[[(2S)-2-hydroxy-3-[4-hydroxy-3-[(methylsulfonyl)amino]phenoxy]propyl]amino]cyclohexyl]-, ethyl ester, monohydrochloride|Ethyl 4-(trans-4-{[(2S)-2-hydroxy-3-{4-hydroxy-3-[(methanesulfonyl)amino]phenoxy}propyl]amino}cyclohexyl)benzoate-hydrogen chloride (1:1)|SAR150640 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047389
ARPathway2016 ARPathway2016_340 SAR 150640 433212-21-6 DTXSID4047389 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.168 Unitless Cl.CCOC(=O)C1=CC=C(C=C1)[C@H]1CC[C@@H](CC1)NC[C@H](O)COC1=CC=C(O)C(NS(C)(=O)=O)=C1 SAR 150640 433212-21-6|SAR 150640|Benzoic acid, 4- [trans- 4- [[(2S) - 2- hydroxy- 3- [4- hydroxy- 3- [(methylsulfonyl) amino] phenoxy] propyl] amino] cyclohexyl] - , ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-[trans-4-[[(2S)-2-hydroxy-3-[4-hydroxy-3-[(methylsulfonyl)amino]phenoxy]propyl]amino]cyclohexyl]-, ethyl ester, monohydrochloride|Ethyl 4-(trans-4-{[(2S)-2-hydroxy-3-{4-hydroxy-3-[(methanesulfonyl)amino]phenoxy}propyl]amino}cyclohexyl)benzoate-hydrogen chloride (1:1)|SAR150640 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047389
ARPathway2016 ARPathway2016_340 SAR 150640 433212-21-6 DTXSID4047389 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless Cl.CCOC(=O)C1=CC=C(C=C1)[C@H]1CC[C@@H](CC1)NC[C@H](O)COC1=CC=C(O)C(NS(C)(=O)=O)=C1 SAR 150640 433212-21-6|SAR 150640|Benzoic acid, 4- [trans- 4- [[(2S) - 2- hydroxy- 3- [4- hydroxy- 3- [(methylsulfonyl) amino] phenoxy] propyl] amino] cyclohexyl] - , ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-[trans-4-[[(2S)-2-hydroxy-3-[4-hydroxy-3-[(methylsulfonyl)amino]phenoxy]propyl]amino]cyclohexyl]-, ethyl ester, monohydrochloride|Ethyl 4-(trans-4-{[(2S)-2-hydroxy-3-{4-hydroxy-3-[(methanesulfonyl)amino]phenoxy}propyl]amino}cyclohexyl)benzoate-hydrogen chloride (1:1)|SAR150640 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047389
ARPathway2016 ARPathway2016_340 SAR 150640 433212-21-6 DTXSID4047389 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Cl.CCOC(=O)C1=CC=C(C=C1)[C@H]1CC[C@@H](CC1)NC[C@H](O)COC1=CC=C(O)C(NS(C)(=O)=O)=C1 SAR 150640 433212-21-6|SAR 150640|Benzoic acid, 4- [trans- 4- [[(2S) - 2- hydroxy- 3- [4- hydroxy- 3- [(methylsulfonyl) amino] phenoxy] propyl] amino] cyclohexyl] - , ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-[trans-4-[[(2S)-2-hydroxy-3-[4-hydroxy-3-[(methylsulfonyl)amino]phenoxy]propyl]amino]cyclohexyl]-, ethyl ester, monohydrochloride|Ethyl 4-(trans-4-{[(2S)-2-hydroxy-3-{4-hydroxy-3-[(methanesulfonyl)amino]phenoxy}propyl]amino}cyclohexyl)benzoate-hydrogen chloride (1:1)|SAR150640 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047389
ARPathway2016 ARPathway2016_340 SAR 150640 433212-21-6 DTXSID4047389 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Cl.CCOC(=O)C1=CC=C(C=C1)[C@H]1CC[C@@H](CC1)NC[C@H](O)COC1=CC=C(O)C(NS(C)(=O)=O)=C1 SAR 150640 433212-21-6|SAR 150640|Benzoic acid, 4- [trans- 4- [[(2S) - 2- hydroxy- 3- [4- hydroxy- 3- [(methylsulfonyl) amino] phenoxy] propyl] amino] cyclohexyl] - , ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-[trans-4-[[(2S)-2-hydroxy-3-[4-hydroxy-3-[(methylsulfonyl)amino]phenoxy]propyl]amino]cyclohexyl]-, ethyl ester, monohydrochloride|Ethyl 4-(trans-4-{[(2S)-2-hydroxy-3-{4-hydroxy-3-[(methanesulfonyl)amino]phenoxy}propyl]amino}cyclohexyl)benzoate-hydrogen chloride (1:1)|SAR150640 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047389
ERPathway2016 ERPathway2016_142 SAR 150640 433212-21-6 DTXSID4047389 ER Pathway Model, Agonist AC50 71.5538595982921 uM Cl.CCOC(=O)C1=CC=C(C=C1)[C@H]1CC[C@@H](CC1)NC[C@H](O)COC1=CC=C(O)C(NS(C)(=O)=O)=C1 SAR 150640 433212-21-6|SAR 150640|Benzoic acid, 4- [trans- 4- [[(2S) - 2- hydroxy- 3- [4- hydroxy- 3- [(methylsulfonyl) amino] phenoxy] propyl] amino] cyclohexyl] - , ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-[trans-4-[[(2S)-2-hydroxy-3-[4-hydroxy-3-[(methylsulfonyl)amino]phenoxy]propyl]amino]cyclohexyl]-, ethyl ester, monohydrochloride|Ethyl 4-(trans-4-{[(2S)-2-hydroxy-3-{4-hydroxy-3-[(methanesulfonyl)amino]phenoxy}propyl]amino}cyclohexyl)benzoate-hydrogen chloride (1:1)|SAR150640 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047389
ERPathway2016 ERPathway2016_142 SAR 150640 433212-21-6 DTXSID4047389 ER Pathway Model, Agonist ACC 75.6546558304493 uM Cl.CCOC(=O)C1=CC=C(C=C1)[C@H]1CC[C@@H](CC1)NC[C@H](O)COC1=CC=C(O)C(NS(C)(=O)=O)=C1 SAR 150640 433212-21-6|SAR 150640|Benzoic acid, 4- [trans- 4- [[(2S) - 2- hydroxy- 3- [4- hydroxy- 3- [(methylsulfonyl) amino] phenoxy] propyl] amino] cyclohexyl] - , ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-[trans-4-[[(2S)-2-hydroxy-3-[4-hydroxy-3-[(methylsulfonyl)amino]phenoxy]propyl]amino]cyclohexyl]-, ethyl ester, monohydrochloride|Ethyl 4-(trans-4-{[(2S)-2-hydroxy-3-{4-hydroxy-3-[(methanesulfonyl)amino]phenoxy}propyl]amino}cyclohexyl)benzoate-hydrogen chloride (1:1)|SAR150640 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047389
ERPathway2016 ERPathway2016_142 SAR 150640 433212-21-6 DTXSID4047389 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CCOC(=O)C1=CC=C(C=C1)[C@H]1CC[C@@H](CC1)NC[C@H](O)COC1=CC=C(O)C(NS(C)(=O)=O)=C1 SAR 150640 433212-21-6|SAR 150640|Benzoic acid, 4- [trans- 4- [[(2S) - 2- hydroxy- 3- [4- hydroxy- 3- [(methylsulfonyl) amino] phenoxy] propyl] amino] cyclohexyl] - , ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-[trans-4-[[(2S)-2-hydroxy-3-[4-hydroxy-3-[(methylsulfonyl)amino]phenoxy]propyl]amino]cyclohexyl]-, ethyl ester, monohydrochloride|Ethyl 4-(trans-4-{[(2S)-2-hydroxy-3-{4-hydroxy-3-[(methanesulfonyl)amino]phenoxy}propyl]amino}cyclohexyl)benzoate-hydrogen chloride (1:1)|SAR150640 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047389
ERPathway2016 ERPathway2016_142 SAR 150640 433212-21-6 DTXSID4047389 ER Pathway Model, Antagonist Model Score 0.00566 Unitless Cl.CCOC(=O)C1=CC=C(C=C1)[C@H]1CC[C@@H](CC1)NC[C@H](O)COC1=CC=C(O)C(NS(C)(=O)=O)=C1 SAR 150640 433212-21-6|SAR 150640|Benzoic acid, 4- [trans- 4- [[(2S) - 2- hydroxy- 3- [4- hydroxy- 3- [(methylsulfonyl) amino] phenoxy] propyl] amino] cyclohexyl] - , ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-[trans-4-[[(2S)-2-hydroxy-3-[4-hydroxy-3-[(methylsulfonyl)amino]phenoxy]propyl]amino]cyclohexyl]-, ethyl ester, monohydrochloride|Ethyl 4-(trans-4-{[(2S)-2-hydroxy-3-{4-hydroxy-3-[(methanesulfonyl)amino]phenoxy}propyl]amino}cyclohexyl)benzoate-hydrogen chloride (1:1)|SAR150640 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047389
ERPathway2016 ERPathway2016_142 SAR 150640 433212-21-6 DTXSID4047389 ER Pathway Model, Agonist Call Active Unitless Cl.CCOC(=O)C1=CC=C(C=C1)[C@H]1CC[C@@H](CC1)NC[C@H](O)COC1=CC=C(O)C(NS(C)(=O)=O)=C1 SAR 150640 433212-21-6|SAR 150640|Benzoic acid, 4- [trans- 4- [[(2S) - 2- hydroxy- 3- [4- hydroxy- 3- [(methylsulfonyl) amino] phenoxy] propyl] amino] cyclohexyl] - , ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-[trans-4-[[(2S)-2-hydroxy-3-[4-hydroxy-3-[(methylsulfonyl)amino]phenoxy]propyl]amino]cyclohexyl]-, ethyl ester, monohydrochloride|Ethyl 4-(trans-4-{[(2S)-2-hydroxy-3-{4-hydroxy-3-[(methanesulfonyl)amino]phenoxy}propyl]amino}cyclohexyl)benzoate-hydrogen chloride (1:1)|SAR150640 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047389
ERPathway2016 ERPathway2016_142 SAR 150640 433212-21-6 DTXSID4047389 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CCOC(=O)C1=CC=C(C=C1)[C@H]1CC[C@@H](CC1)NC[C@H](O)COC1=CC=C(O)C(NS(C)(=O)=O)=C1 SAR 150640 433212-21-6|SAR 150640|Benzoic acid, 4- [trans- 4- [[(2S) - 2- hydroxy- 3- [4- hydroxy- 3- [(methylsulfonyl) amino] phenoxy] propyl] amino] cyclohexyl] - , ethyl ester, hydrochloride (1:1)|Benzoic acid, 4-[trans-4-[[(2S)-2-hydroxy-3-[4-hydroxy-3-[(methylsulfonyl)amino]phenoxy]propyl]amino]cyclohexyl]-, ethyl ester, monohydrochloride|Ethyl 4-(trans-4-{[(2S)-2-hydroxy-3-{4-hydroxy-3-[(methanesulfonyl)amino]phenoxy}propyl]amino}cyclohexyl)benzoate-hydrogen chloride (1:1)|SAR150640 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047389
ARPathway2016 ARPathway2016_484 SAR102608 1068967-96-3 DTXSID8047391 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CN(NC(=O)C2=C(C)N=C(N=C2)C2=CC=CC=N2)C2=CC=C(F)C=C12 SAR102608 1068967-96-3|SAR102608 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047391
ARPathway2016 ARPathway2016_484 SAR102608 1068967-96-3 DTXSID8047391 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CN(NC(=O)C2=C(C)N=C(N=C2)C2=CC=CC=N2)C2=CC=C(F)C=C12 SAR102608 1068967-96-3|SAR102608 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047391
ARPathway2016 ARPathway2016_484 SAR102608 1068967-96-3 DTXSID8047391 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless CC1=CN(NC(=O)C2=C(C)N=C(N=C2)C2=CC=CC=N2)C2=CC=C(F)C=C12 SAR102608 1068967-96-3|SAR102608 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047391
ARPathway2016 ARPathway2016_484 SAR102608 1068967-96-3 DTXSID8047391 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CN(NC(=O)C2=C(C)N=C(N=C2)C2=CC=CC=N2)C2=CC=C(F)C=C12 SAR102608 1068967-96-3|SAR102608 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047391
ERPathway2016 ERPathway2016_1095 SAR102608 1068967-96-3 DTXSID8047391 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CN(NC(=O)C2=C(C)N=C(N=C2)C2=CC=CC=N2)C2=CC=C(F)C=C12 SAR102608 1068967-96-3|SAR102608 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047391
ERPathway2016 ERPathway2016_1095 SAR102608 1068967-96-3 DTXSID8047391 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CN(NC(=O)C2=C(C)N=C(N=C2)C2=CC=CC=N2)C2=CC=C(F)C=C12 SAR102608 1068967-96-3|SAR102608 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047391
ERPathway2016 ERPathway2016_1095 SAR102608 1068967-96-3 DTXSID8047391 ER Pathway Model, Agonist Call Inactive Unitless CC1=CN(NC(=O)C2=C(C)N=C(N=C2)C2=CC=CC=N2)C2=CC=C(F)C=C12 SAR102608 1068967-96-3|SAR102608 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047391
ERPathway2016 ERPathway2016_1095 SAR102608 1068967-96-3 DTXSID8047391 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CN(NC(=O)C2=C(C)N=C(N=C2)C2=CC=CC=N2)C2=CC=C(F)C=C12 SAR102608 1068967-96-3|SAR102608 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047391
ARPathway2016 ARPathway2016_339 SAR102779 NOCAS_47387 DTXSID4047387 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 28.2397034091354 uM OC(=O)CCC(O)=O.CC(=O)NC1(CCN(CC[C@]2(CN(C(=O)CO2)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)C1=CC=CC(F)=C1 SAR102779 NOCAS_47387|SAR102779 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047387
ARPathway2016 ARPathway2016_339 SAR102779 NOCAS_47387 DTXSID4047387 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 20.1921256353906 uM OC(=O)CCC(O)=O.CC(=O)NC1(CCN(CC[C@]2(CN(C(=O)CO2)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)C1=CC=CC(F)=C1 SAR102779 NOCAS_47387|SAR102779 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047387
ARPathway2016 ARPathway2016_339 SAR102779 NOCAS_47387 DTXSID4047387 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.198 Unitless OC(=O)CCC(O)=O.CC(=O)NC1(CCN(CC[C@]2(CN(C(=O)CO2)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)C1=CC=CC(F)=C1 SAR102779 NOCAS_47387|SAR102779 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047387
ARPathway2016 ARPathway2016_339 SAR102779 NOCAS_47387 DTXSID4047387 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)CCC(O)=O.CC(=O)NC1(CCN(CC[C@]2(CN(C(=O)CO2)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)C1=CC=CC(F)=C1 SAR102779 NOCAS_47387|SAR102779 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047387
ARPathway2016 ARPathway2016_339 SAR102779 NOCAS_47387 DTXSID4047387 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC(=O)CCC(O)=O.CC(=O)NC1(CCN(CC[C@]2(CN(C(=O)CO2)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)C1=CC=CC(F)=C1 SAR102779 NOCAS_47387|SAR102779 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047387
ARPathway2016 ARPathway2016_339 SAR102779 NOCAS_47387 DTXSID4047387 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)CCC(O)=O.CC(=O)NC1(CCN(CC[C@]2(CN(C(=O)CO2)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)C1=CC=CC(F)=C1 SAR102779 NOCAS_47387|SAR102779 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047387
ERPathway2016 ERPathway2016_71 SAR102779 NOCAS_47387 DTXSID4047387 ER Pathway Model, Agonist AC50 34.778444920695 uM OC(=O)CCC(O)=O.CC(=O)NC1(CCN(CC[C@]2(CN(C(=O)CO2)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)C1=CC=CC(F)=C1 SAR102779 NOCAS_47387|SAR102779 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047387
ERPathway2016 ERPathway2016_71 SAR102779 NOCAS_47387 DTXSID4047387 ER Pathway Model, Agonist ACC 31.6164263674549 uM OC(=O)CCC(O)=O.CC(=O)NC1(CCN(CC[C@]2(CN(C(=O)CO2)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)C1=CC=CC(F)=C1 SAR102779 NOCAS_47387|SAR102779 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047387
ERPathway2016 ERPathway2016_71 SAR102779 NOCAS_47387 DTXSID4047387 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)CCC(O)=O.CC(=O)NC1(CCN(CC[C@]2(CN(C(=O)CO2)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)C1=CC=CC(F)=C1 SAR102779 NOCAS_47387|SAR102779 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047387
ERPathway2016 ERPathway2016_71 SAR102779 NOCAS_47387 DTXSID4047387 ER Pathway Model, Antagonist Model Score 0.0137 Unitless OC(=O)CCC(O)=O.CC(=O)NC1(CCN(CC[C@]2(CN(C(=O)CO2)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)C1=CC=CC(F)=C1 SAR102779 NOCAS_47387|SAR102779 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047387
ERPathway2016 ERPathway2016_71 SAR102779 NOCAS_47387 DTXSID4047387 ER Pathway Model, Agonist Call Active Unitless OC(=O)CCC(O)=O.CC(=O)NC1(CCN(CC[C@]2(CN(C(=O)CO2)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)C1=CC=CC(F)=C1 SAR102779 NOCAS_47387|SAR102779 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047387
ERPathway2016 ERPathway2016_71 SAR102779 NOCAS_47387 DTXSID4047387 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)CCC(O)=O.CC(=O)NC1(CCN(CC[C@]2(CN(C(=O)CO2)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)C1=CC=CC(F)=C1 SAR102779 NOCAS_47387|SAR102779 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047387
ARPathway2016 ARPathway2016_336 SAR115740 NOCAS_47366 DTXSID1047366 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist AC50 32.00082706 uM FC1=CC=C2N(CC3=CC(F)=CC=C3)C(=CC2=C1)C(=O)NC1=CC=C2NC=CC2=C1 SAR115740 NOCAS_47366|SAR115740 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047366
ARPathway2016 ARPathway2016_336 SAR115740 NOCAS_47366 DTXSID1047366 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist ACC 28.62801567 uM FC1=CC=C2N(CC3=CC(F)=CC=C3)C(=CC2=C1)C(=O)NC1=CC=C2NC=CC2=C1 SAR115740 NOCAS_47366|SAR115740 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047366
ARPathway2016 ARPathway2016_336 SAR115740 NOCAS_47366 DTXSID1047366 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0853 Unitless FC1=CC=C2N(CC3=CC(F)=CC=C3)C(=CC2=C1)C(=O)NC1=CC=C2NC=CC2=C1 SAR115740 NOCAS_47366|SAR115740 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047366
ARPathway2016 ARPathway2016_336 SAR115740 NOCAS_47366 DTXSID1047366 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless FC1=CC=C2N(CC3=CC(F)=CC=C3)C(=CC2=C1)C(=O)NC1=CC=C2NC=CC2=C1 SAR115740 NOCAS_47366|SAR115740 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047366
ARPathway2016 ARPathway2016_336 SAR115740 NOCAS_47366 DTXSID1047366 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist Call Active Unitless FC1=CC=C2N(CC3=CC(F)=CC=C3)C(=CC2=C1)C(=O)NC1=CC=C2NC=CC2=C1 SAR115740 NOCAS_47366|SAR115740 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047366
ARPathway2016 ARPathway2016_336 SAR115740 NOCAS_47366 DTXSID1047366 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless FC1=CC=C2N(CC3=CC(F)=CC=C3)C(=CC2=C1)C(=O)NC1=CC=C2NC=CC2=C1 SAR115740 NOCAS_47366|SAR115740 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047366
ERPathway2016 ERPathway2016_879 SAR115740 NOCAS_47366 DTXSID1047366 ER Pathway Model, Agonist Model Score 0 Unitless FC1=CC=C2N(CC3=CC(F)=CC=C3)C(=CC2=C1)C(=O)NC1=CC=C2NC=CC2=C1 SAR115740 NOCAS_47366|SAR115740 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047366
ERPathway2016 ERPathway2016_879 SAR115740 NOCAS_47366 DTXSID1047366 ER Pathway Model, Antagonist Model Score 0 Unitless FC1=CC=C2N(CC3=CC(F)=CC=C3)C(=CC2=C1)C(=O)NC1=CC=C2NC=CC2=C1 SAR115740 NOCAS_47366|SAR115740 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047366
ERPathway2016 ERPathway2016_879 SAR115740 NOCAS_47366 DTXSID1047366 ER Pathway Model, Agonist Call Inactive Unitless FC1=CC=C2N(CC3=CC(F)=CC=C3)C(=CC2=C1)C(=O)NC1=CC=C2NC=CC2=C1 SAR115740 NOCAS_47366|SAR115740 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047366
ERPathway2016 ERPathway2016_879 SAR115740 NOCAS_47366 DTXSID1047366 ER Pathway Model, Antagonist Call Inactive Unitless FC1=CC=C2N(CC3=CC(F)=CC=C3)C(=CC2=C1)C(=O)NC1=CC=C2NC=CC2=C1 SAR115740 NOCAS_47366|SAR115740 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047366
ARPathway2016 ARPathway2016_1846 SAR377142 NOCAS_47385 DTXSID4047385 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(O)=O.COCCOC1=NC=C2N(CC(=O)NC3=NC=C(Cl)C=C3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C SAR377142 NOCAS_47385|SAR377142 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047385
ARPathway2016 ARPathway2016_1846 SAR377142 NOCAS_47385 DTXSID4047385 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(O)=O.COCCOC1=NC=C2N(CC(=O)NC3=NC=C(Cl)C=C3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C SAR377142 NOCAS_47385|SAR377142 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047385
ARPathway2016 ARPathway2016_1846 SAR377142 NOCAS_47385 DTXSID4047385 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(O)=O.COCCOC1=NC=C2N(CC(=O)NC3=NC=C(Cl)C=C3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C SAR377142 NOCAS_47385|SAR377142 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047385
ARPathway2016 ARPathway2016_1846 SAR377142 NOCAS_47385 DTXSID4047385 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(O)=O.COCCOC1=NC=C2N(CC(=O)NC3=NC=C(Cl)C=C3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C SAR377142 NOCAS_47385|SAR377142 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047385
ERPathway2016 ERPathway2016_1811 SAR377142 NOCAS_47385 DTXSID4047385 ER Pathway Model, Agonist Model Score 0 Unitless CC(O)=O.COCCOC1=NC=C2N(CC(=O)NC3=NC=C(Cl)C=C3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C SAR377142 NOCAS_47385|SAR377142 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047385
ERPathway2016 ERPathway2016_1811 SAR377142 NOCAS_47385 DTXSID4047385 ER Pathway Model, Antagonist Model Score 0 Unitless CC(O)=O.COCCOC1=NC=C2N(CC(=O)NC3=NC=C(Cl)C=C3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C SAR377142 NOCAS_47385|SAR377142 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047385
ERPathway2016 ERPathway2016_1811 SAR377142 NOCAS_47385 DTXSID4047385 ER Pathway Model, Agonist Call Inactive Unitless CC(O)=O.COCCOC1=NC=C2N(CC(=O)NC3=NC=C(Cl)C=C3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C SAR377142 NOCAS_47385|SAR377142 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047385
ERPathway2016 ERPathway2016_1811 SAR377142 NOCAS_47385 DTXSID4047385 ER Pathway Model, Antagonist Call Inactive Unitless CC(O)=O.COCCOC1=NC=C2N(CC(=O)NC3=NC=C(Cl)C=C3)C(=CC2=C1)C(=O)NC1CCN(CC1)C(C)C SAR377142 NOCAS_47385|SAR377142 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047385
ARPathway2016 ARPathway2016_819 SB202235 139149-55-6 DTXSID1047318 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless NC(=O)N(O)[C@@H]1COC2=C1C=CC(OCC1=CC=CC=C1)=C2 SB202235 139149-55-6|SB202235|N-((3S)-2,3-Dihydro-6-(phenylmethoxy)-3-benzofuranyl)-N-hydroxyurea https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047318
ARPathway2016 ARPathway2016_819 SB202235 139149-55-6 DTXSID1047318 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless NC(=O)N(O)[C@@H]1COC2=C1C=CC(OCC1=CC=CC=C1)=C2 SB202235 139149-55-6|SB202235|N-((3S)-2,3-Dihydro-6-(phenylmethoxy)-3-benzofuranyl)-N-hydroxyurea https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047318
ARPathway2016 ARPathway2016_819 SB202235 139149-55-6 DTXSID1047318 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless NC(=O)N(O)[C@@H]1COC2=C1C=CC(OCC1=CC=CC=C1)=C2 SB202235 139149-55-6|SB202235|N-((3S)-2,3-Dihydro-6-(phenylmethoxy)-3-benzofuranyl)-N-hydroxyurea https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047318
ARPathway2016 ARPathway2016_819 SB202235 139149-55-6 DTXSID1047318 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless NC(=O)N(O)[C@@H]1COC2=C1C=CC(OCC1=CC=CC=C1)=C2 SB202235 139149-55-6|SB202235|N-((3S)-2,3-Dihydro-6-(phenylmethoxy)-3-benzofuranyl)-N-hydroxyurea https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047318
ERPathway2016 ERPathway2016_1290 SB202235 139149-55-6 DTXSID1047318 ER Pathway Model, Agonist Model Score 0 Unitless NC(=O)N(O)[C@@H]1COC2=C1C=CC(OCC1=CC=CC=C1)=C2 SB202235 139149-55-6|SB202235|N-((3S)-2,3-Dihydro-6-(phenylmethoxy)-3-benzofuranyl)-N-hydroxyurea https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047318
ERPathway2016 ERPathway2016_1290 SB202235 139149-55-6 DTXSID1047318 ER Pathway Model, Antagonist Model Score 0 Unitless NC(=O)N(O)[C@@H]1COC2=C1C=CC(OCC1=CC=CC=C1)=C2 SB202235 139149-55-6|SB202235|N-((3S)-2,3-Dihydro-6-(phenylmethoxy)-3-benzofuranyl)-N-hydroxyurea https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047318
ERPathway2016 ERPathway2016_1290 SB202235 139149-55-6 DTXSID1047318 ER Pathway Model, Agonist Call Inactive Unitless NC(=O)N(O)[C@@H]1COC2=C1C=CC(OCC1=CC=CC=C1)=C2 SB202235 139149-55-6|SB202235|N-((3S)-2,3-Dihydro-6-(phenylmethoxy)-3-benzofuranyl)-N-hydroxyurea https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047318
ERPathway2016 ERPathway2016_1290 SB202235 139149-55-6 DTXSID1047318 ER Pathway Model, Antagonist Call Inactive Unitless NC(=O)N(O)[C@@H]1COC2=C1C=CC(OCC1=CC=CC=C1)=C2 SB202235 139149-55-6|SB202235|N-((3S)-2,3-Dihydro-6-(phenylmethoxy)-3-benzofuranyl)-N-hydroxyurea https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047318
ARPathway2016 ARPathway2016_93 SB236057A 180084-01-9 DTXSID5047320 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 9.30020169839951 uM Cl.CCN1CCC2(COC3=C2C=C2N(CCC2=C3)C(=O)C2=CC=C(C=C2)C2=CC=C(C=C2C)C2=NN=C(C)O2)CC1 SB236057A 180084-01-9|SB236057A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047320
ARPathway2016 ARPathway2016_93 SB236057A 180084-01-9 DTXSID5047320 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 8.15074385399999 uM Cl.CCN1CCC2(COC3=C2C=C2N(CCC2=C3)C(=O)C2=CC=C(C=C2)C2=CC=C(C=C2C)C2=NN=C(C)O2)CC1 SB236057A 180084-01-9|SB236057A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047320
ARPathway2016 ARPathway2016_93 SB236057A 180084-01-9 DTXSID5047320 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.279 Unitless Cl.CCN1CCC2(COC3=C2C=C2N(CCC2=C3)C(=O)C2=CC=C(C=C2)C2=CC=C(C=C2C)C2=NN=C(C)O2)CC1 SB236057A 180084-01-9|SB236057A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047320
ARPathway2016 ARPathway2016_93 SB236057A 180084-01-9 DTXSID5047320 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless Cl.CCN1CCC2(COC3=C2C=C2N(CCC2=C3)C(=O)C2=CC=C(C=C2)C2=CC=C(C=C2C)C2=NN=C(C)O2)CC1 SB236057A 180084-01-9|SB236057A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047320
ARPathway2016 ARPathway2016_93 SB236057A 180084-01-9 DTXSID5047320 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Cl.CCN1CCC2(COC3=C2C=C2N(CCC2=C3)C(=O)C2=CC=C(C=C2)C2=CC=C(C=C2C)C2=NN=C(C)O2)CC1 SB236057A 180084-01-9|SB236057A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047320
ARPathway2016 ARPathway2016_93 SB236057A 180084-01-9 DTXSID5047320 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Cl.CCN1CCC2(COC3=C2C=C2N(CCC2=C3)C(=O)C2=CC=C(C=C2)C2=CC=C(C=C2C)C2=NN=C(C)O2)CC1 SB236057A 180084-01-9|SB236057A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047320
ERPathway2016 ERPathway2016_100 SB236057A 180084-01-9 DTXSID5047320 ER Pathway Model, Agonist AC50 8.50142940889843 uM Cl.CCN1CCC2(COC3=C2C=C2N(CCC2=C3)C(=O)C2=CC=C(C=C2)C2=CC=C(C=C2C)C2=NN=C(C)O2)CC1 SB236057A 180084-01-9|SB236057A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047320
ERPathway2016 ERPathway2016_100 SB236057A 180084-01-9 DTXSID5047320 ER Pathway Model, Agonist ACC 7.522018431748 uM Cl.CCN1CCC2(COC3=C2C=C2N(CCC2=C3)C(=O)C2=CC=C(C=C2)C2=CC=C(C=C2C)C2=NN=C(C)O2)CC1 SB236057A 180084-01-9|SB236057A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047320
ERPathway2016 ERPathway2016_100 SB236057A 180084-01-9 DTXSID5047320 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CCN1CCC2(COC3=C2C=C2N(CCC2=C3)C(=O)C2=CC=C(C=C2)C2=CC=C(C=C2C)C2=NN=C(C)O2)CC1 SB236057A 180084-01-9|SB236057A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047320
ERPathway2016 ERPathway2016_100 SB236057A 180084-01-9 DTXSID5047320 ER Pathway Model, Antagonist Model Score 0.0595 Unitless Cl.CCN1CCC2(COC3=C2C=C2N(CCC2=C3)C(=O)C2=CC=C(C=C2)C2=CC=C(C=C2C)C2=NN=C(C)O2)CC1 SB236057A 180084-01-9|SB236057A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047320
ERPathway2016 ERPathway2016_100 SB236057A 180084-01-9 DTXSID5047320 ER Pathway Model, Agonist Call Active Unitless Cl.CCN1CCC2(COC3=C2C=C2N(CCC2=C3)C(=O)C2=CC=C(C=C2)C2=CC=C(C=C2C)C2=NN=C(C)O2)CC1 SB236057A 180084-01-9|SB236057A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047320
ERPathway2016 ERPathway2016_100 SB236057A 180084-01-9 DTXSID5047320 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CCN1CCC2(COC3=C2C=C2N(CCC2=C3)C(=O)C2=CC=C(C=C2)C2=CC=C(C=C2C)C2=NN=C(C)O2)CC1 SB236057A 180084-01-9|SB236057A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047320
ARPathway2016 ARPathway2016_975 SB243213A 200940-23-4 DTXSID5047322 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.CC1=CC2=C(C=C1C(F)(F)F)N(CC2)C(=O)NC1=CC=C(OC2=CC=CN=C2C)N=C1 SB243213A 200940-23-4|SB243213A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047322
ARPathway2016 ARPathway2016_975 SB243213A 200940-23-4 DTXSID5047322 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless Cl.CC1=CC2=C(C=C1C(F)(F)F)N(CC2)C(=O)NC1=CC=C(OC2=CC=CN=C2C)N=C1 SB243213A 200940-23-4|SB243213A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047322
ARPathway2016 ARPathway2016_975 SB243213A 200940-23-4 DTXSID5047322 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless Cl.CC1=CC2=C(C=C1C(F)(F)F)N(CC2)C(=O)NC1=CC=C(OC2=CC=CN=C2C)N=C1 SB243213A 200940-23-4|SB243213A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047322
ARPathway2016 ARPathway2016_975 SB243213A 200940-23-4 DTXSID5047322 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless Cl.CC1=CC2=C(C=C1C(F)(F)F)N(CC2)C(=O)NC1=CC=C(OC2=CC=CN=C2C)N=C1 SB243213A 200940-23-4|SB243213A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047322
ERPathway2016 ERPathway2016_620 SB243213A 200940-23-4 DTXSID5047322 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CC1=CC2=C(C=C1C(F)(F)F)N(CC2)C(=O)NC1=CC=C(OC2=CC=CN=C2C)N=C1 SB243213A 200940-23-4|SB243213A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047322
ERPathway2016 ERPathway2016_620 SB243213A 200940-23-4 DTXSID5047322 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CC1=CC2=C(C=C1C(F)(F)F)N(CC2)C(=O)NC1=CC=C(OC2=CC=CN=C2C)N=C1 SB243213A 200940-23-4|SB243213A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047322
ERPathway2016 ERPathway2016_620 SB243213A 200940-23-4 DTXSID5047322 ER Pathway Model, Agonist Call Inactive Unitless Cl.CC1=CC2=C(C=C1C(F)(F)F)N(CC2)C(=O)NC1=CC=C(OC2=CC=CN=C2C)N=C1 SB243213A 200940-23-4|SB243213A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047322
ERPathway2016 ERPathway2016_620 SB243213A 200940-23-4 DTXSID5047322 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CC1=CC2=C(C=C1C(F)(F)F)N(CC2)C(=O)NC1=CC=C(OC2=CC=CN=C2C)N=C1 SB243213A 200940-23-4|SB243213A https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047322
ARPathway2016 ARPathway2016_1005 SB281832 219790-72-4 DTXSID5047324 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless OCC(CO)N1C=NC(=C1C1=CC=NC(OC2=CC=CC=C2)=N1)C1=CC=C(F)C=C1 SB281832 219790-72-4|SB281832 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047324
ARPathway2016 ARPathway2016_1005 SB281832 219790-72-4 DTXSID5047324 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless OCC(CO)N1C=NC(=C1C1=CC=NC(OC2=CC=CC=C2)=N1)C1=CC=C(F)C=C1 SB281832 219790-72-4|SB281832 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047324
ARPathway2016 ARPathway2016_1005 SB281832 219790-72-4 DTXSID5047324 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless OCC(CO)N1C=NC(=C1C1=CC=NC(OC2=CC=CC=C2)=N1)C1=CC=C(F)C=C1 SB281832 219790-72-4|SB281832 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047324
ARPathway2016 ARPathway2016_1005 SB281832 219790-72-4 DTXSID5047324 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless OCC(CO)N1C=NC(=C1C1=CC=NC(OC2=CC=CC=C2)=N1)C1=CC=C(F)C=C1 SB281832 219790-72-4|SB281832 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047324
ERPathway2016 ERPathway2016_651 SB281832 219790-72-4 DTXSID5047324 A17 ER Pathway Model, Agonist Model Score 0 Unitless OCC(CO)N1C=NC(=C1C1=CC=NC(OC2=CC=CC=C2)=N1)C1=CC=C(F)C=C1 SB281832 219790-72-4|SB281832 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047324
ERPathway2016 ERPathway2016_651 SB281832 219790-72-4 DTXSID5047324 A17 ER Pathway Model, Antagonist Model Score 0 Unitless OCC(CO)N1C=NC(=C1C1=CC=NC(OC2=CC=CC=C2)=N1)C1=CC=C(F)C=C1 SB281832 219790-72-4|SB281832 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047324
ERPathway2016 ERPathway2016_651 SB281832 219790-72-4 DTXSID5047324 A17 ER Pathway Model, Agonist Call Inactive Unitless OCC(CO)N1C=NC(=C1C1=CC=NC(OC2=CC=CC=C2)=N1)C1=CC=C(F)C=C1 SB281832 219790-72-4|SB281832 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047324
ERPathway2016 ERPathway2016_651 SB281832 219790-72-4 DTXSID5047324 A17 ER Pathway Model, Antagonist Call Inactive Unitless OCC(CO)N1C=NC(=C1C1=CC=NC(OC2=CC=CC=C2)=N1)C1=CC=C(F)C=C1 SB281832 219790-72-4|SB281832 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047324
ARPathway2016 ARPathway2016_1841 SB413217A NOCAS_47325 DTXSID0047325 0.0 A8 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.CC1=NC(=NO1)C1=CC2=C(CCN(CCC3CCC(CC3)NC(=O)C=CC3=CC=C(F)C=C3)CC2)C=C1 SB413217A NOCAS_47325|SB413217A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047325
ARPathway2016 ARPathway2016_1841 SB413217A NOCAS_47325 DTXSID0047325 0.0 A8 AR Pathway Model, Agonist Model Score 0 Unitless Cl.CC1=NC(=NO1)C1=CC2=C(CCN(CCC3CCC(CC3)NC(=O)C=CC3=CC=C(F)C=C3)CC2)C=C1 SB413217A NOCAS_47325|SB413217A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047325
ARPathway2016 ARPathway2016_1841 SB413217A NOCAS_47325 DTXSID0047325 0.0 A8 AR Pathway Model, Agonist Call Inactive Unitless Cl.CC1=NC(=NO1)C1=CC2=C(CCN(CCC3CCC(CC3)NC(=O)C=CC3=CC=C(F)C=C3)CC2)C=C1 SB413217A NOCAS_47325|SB413217A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047325
ARPathway2016 ARPathway2016_1841 SB413217A NOCAS_47325 DTXSID0047325 0.0 A8 AR Pathway Model, Antagonist Call Inactive Unitless Cl.CC1=NC(=NO1)C1=CC2=C(CCN(CCC3CCC(CC3)NC(=O)C=CC3=CC=C(F)C=C3)CC2)C=C1 SB413217A NOCAS_47325|SB413217A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047325
ERPathway2016 ERPathway2016_517 SB413217A NOCAS_47325 DTXSID0047325 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CC1=NC(=NO1)C1=CC2=C(CCN(CCC3CCC(CC3)NC(=O)C=CC3=CC=C(F)C=C3)CC2)C=C1 SB413217A NOCAS_47325|SB413217A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047325
ERPathway2016 ERPathway2016_517 SB413217A NOCAS_47325 DTXSID0047325 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CC1=NC(=NO1)C1=CC2=C(CCN(CCC3CCC(CC3)NC(=O)C=CC3=CC=C(F)C=C3)CC2)C=C1 SB413217A NOCAS_47325|SB413217A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047325
ERPathway2016 ERPathway2016_517 SB413217A NOCAS_47325 DTXSID0047325 ER Pathway Model, Agonist Call Inactive Unitless Cl.CC1=NC(=NO1)C1=CC2=C(CCN(CCC3CCC(CC3)NC(=O)C=CC3=CC=C(F)C=C3)CC2)C=C1 SB413217A NOCAS_47325|SB413217A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047325
ERPathway2016 ERPathway2016_517 SB413217A NOCAS_47325 DTXSID0047325 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CC1=NC(=NO1)C1=CC2=C(CCN(CCC3CCC(CC3)NC(=O)C=CC3=CC=C(F)C=C3)CC2)C=C1 SB413217A NOCAS_47325|SB413217A https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047325
ARPathway2016 ARPathway2016_140 S-Bioallethrin 28434-00-6 DTXSID2039336 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 48.1743568665033 uM CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C S-Bioallethrin 28434-00-6|S-Bioallethrin|(+)-Allethronyl (+)-trans-chrysanthemumate|(+)-trans-(S)-allethrin|(+)-trans-Allethrin|(1S)-3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate|(S)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(S)-3-allyl-3-methyl-4-oxocyclopent-2-enyl (+)-trans-chrysanthemate|[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 3-allyl-2-methyl-4-oxocyclopent-2-ene-1-yle|[1R-[1a(S*),3b]]-2,2-dimetil-3-(2-metilprop-1-enil)ciclopropanocarboxilato de 3-alil-2-metil-4-oxociclopent-2-en-1-ilo|3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl [1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylate|4-09-00-00174|AI 3-29024|Allethrin Coil|bioallethrin S-cyclopentenyl|bioall|22467-86-3|28057-48-9|28991-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2039336
ARPathway2016 ARPathway2016_140 S-Bioallethrin 28434-00-6 DTXSID2039336 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 39.6416469211568 uM CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C S-Bioallethrin 28434-00-6|S-Bioallethrin|(+)-Allethronyl (+)-trans-chrysanthemumate|(+)-trans-(S)-allethrin|(+)-trans-Allethrin|(1S)-3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate|(S)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(S)-3-allyl-3-methyl-4-oxocyclopent-2-enyl (+)-trans-chrysanthemate|[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 3-allyl-2-methyl-4-oxocyclopent-2-ene-1-yle|[1R-[1a(S*),3b]]-2,2-dimetil-3-(2-metilprop-1-enil)ciclopropanocarboxilato de 3-alil-2-metil-4-oxociclopent-2-en-1-ilo|3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl [1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylate|4-09-00-00174|AI 3-29024|Allethrin Coil|bioallethrin S-cyclopentenyl|bioall|22467-86-3|28057-48-9|28991-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2039336
ARPathway2016 ARPathway2016_140 S-Bioallethrin 28434-00-6 DTXSID2039336 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.111 Unitless CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C S-Bioallethrin 28434-00-6|S-Bioallethrin|(+)-Allethronyl (+)-trans-chrysanthemumate|(+)-trans-(S)-allethrin|(+)-trans-Allethrin|(1S)-3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate|(S)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(S)-3-allyl-3-methyl-4-oxocyclopent-2-enyl (+)-trans-chrysanthemate|[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 3-allyl-2-methyl-4-oxocyclopent-2-ene-1-yle|[1R-[1a(S*),3b]]-2,2-dimetil-3-(2-metilprop-1-enil)ciclopropanocarboxilato de 3-alil-2-metil-4-oxociclopent-2-en-1-ilo|3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl [1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylate|4-09-00-00174|AI 3-29024|Allethrin Coil|bioallethrin S-cyclopentenyl|bioall|22467-86-3|28057-48-9|28991-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2039336
ARPathway2016 ARPathway2016_140 S-Bioallethrin 28434-00-6 DTXSID2039336 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C S-Bioallethrin 28434-00-6|S-Bioallethrin|(+)-Allethronyl (+)-trans-chrysanthemumate|(+)-trans-(S)-allethrin|(+)-trans-Allethrin|(1S)-3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate|(S)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(S)-3-allyl-3-methyl-4-oxocyclopent-2-enyl (+)-trans-chrysanthemate|[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 3-allyl-2-methyl-4-oxocyclopent-2-ene-1-yle|[1R-[1a(S*),3b]]-2,2-dimetil-3-(2-metilprop-1-enil)ciclopropanocarboxilato de 3-alil-2-metil-4-oxociclopent-2-en-1-ilo|3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl [1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylate|4-09-00-00174|AI 3-29024|Allethrin Coil|bioallethrin S-cyclopentenyl|bioall|22467-86-3|28057-48-9|28991-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2039336
ARPathway2016 ARPathway2016_140 S-Bioallethrin 28434-00-6 DTXSID2039336 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C S-Bioallethrin 28434-00-6|S-Bioallethrin|(+)-Allethronyl (+)-trans-chrysanthemumate|(+)-trans-(S)-allethrin|(+)-trans-Allethrin|(1S)-3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate|(S)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(S)-3-allyl-3-methyl-4-oxocyclopent-2-enyl (+)-trans-chrysanthemate|[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 3-allyl-2-methyl-4-oxocyclopent-2-ene-1-yle|[1R-[1a(S*),3b]]-2,2-dimetil-3-(2-metilprop-1-enil)ciclopropanocarboxilato de 3-alil-2-metil-4-oxociclopent-2-en-1-ilo|3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl [1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylate|4-09-00-00174|AI 3-29024|Allethrin Coil|bioallethrin S-cyclopentenyl|bioall|22467-86-3|28057-48-9|28991-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2039336
ARPathway2016 ARPathway2016_140 S-Bioallethrin 28434-00-6 DTXSID2039336 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C S-Bioallethrin 28434-00-6|S-Bioallethrin|(+)-Allethronyl (+)-trans-chrysanthemumate|(+)-trans-(S)-allethrin|(+)-trans-Allethrin|(1S)-3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate|(S)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(S)-3-allyl-3-methyl-4-oxocyclopent-2-enyl (+)-trans-chrysanthemate|[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 3-allyl-2-methyl-4-oxocyclopent-2-ene-1-yle|[1R-[1a(S*),3b]]-2,2-dimetil-3-(2-metilprop-1-enil)ciclopropanocarboxilato de 3-alil-2-metil-4-oxociclopent-2-en-1-ilo|3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl [1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylate|4-09-00-00174|AI 3-29024|Allethrin Coil|bioallethrin S-cyclopentenyl|bioall|22467-86-3|28057-48-9|28991-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2039336
ERPathway2016 ERPathway2016_579 S-Bioallethrin 28434-00-6 DTXSID2039336 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C S-Bioallethrin 28434-00-6|S-Bioallethrin|(+)-Allethronyl (+)-trans-chrysanthemumate|(+)-trans-(S)-allethrin|(+)-trans-Allethrin|(1S)-3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate|(S)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(S)-3-allyl-3-methyl-4-oxocyclopent-2-enyl (+)-trans-chrysanthemate|[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 3-allyl-2-methyl-4-oxocyclopent-2-ene-1-yle|[1R-[1a(S*),3b]]-2,2-dimetil-3-(2-metilprop-1-enil)ciclopropanocarboxilato de 3-alil-2-metil-4-oxociclopent-2-en-1-ilo|3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl [1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylate|4-09-00-00174|AI 3-29024|Allethrin Coil|bioallethrin S-cyclopentenyl|bioall|22467-86-3|28057-48-9|28991-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2039336
ERPathway2016 ERPathway2016_579 S-Bioallethrin 28434-00-6 DTXSID2039336 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C S-Bioallethrin 28434-00-6|S-Bioallethrin|(+)-Allethronyl (+)-trans-chrysanthemumate|(+)-trans-(S)-allethrin|(+)-trans-Allethrin|(1S)-3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate|(S)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(S)-3-allyl-3-methyl-4-oxocyclopent-2-enyl (+)-trans-chrysanthemate|[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 3-allyl-2-methyl-4-oxocyclopent-2-ene-1-yle|[1R-[1a(S*),3b]]-2,2-dimetil-3-(2-metilprop-1-enil)ciclopropanocarboxilato de 3-alil-2-metil-4-oxociclopent-2-en-1-ilo|3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl [1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylate|4-09-00-00174|AI 3-29024|Allethrin Coil|bioallethrin S-cyclopentenyl|bioall|22467-86-3|28057-48-9|28991-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2039336
ERPathway2016 ERPathway2016_579 S-Bioallethrin 28434-00-6 DTXSID2039336 ER Pathway Model, Agonist Call Inactive Unitless CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C S-Bioallethrin 28434-00-6|S-Bioallethrin|(+)-Allethronyl (+)-trans-chrysanthemumate|(+)-trans-(S)-allethrin|(+)-trans-Allethrin|(1S)-3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate|(S)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(S)-3-allyl-3-methyl-4-oxocyclopent-2-enyl (+)-trans-chrysanthemate|[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 3-allyl-2-methyl-4-oxocyclopent-2-ene-1-yle|[1R-[1a(S*),3b]]-2,2-dimetil-3-(2-metilprop-1-enil)ciclopropanocarboxilato de 3-alil-2-metil-4-oxociclopent-2-en-1-ilo|3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl [1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylate|4-09-00-00174|AI 3-29024|Allethrin Coil|bioallethrin S-cyclopentenyl|bioall|22467-86-3|28057-48-9|28991-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2039336
ERPathway2016 ERPathway2016_579 S-Bioallethrin 28434-00-6 DTXSID2039336 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C S-Bioallethrin 28434-00-6|S-Bioallethrin|(+)-Allethronyl (+)-trans-chrysanthemumate|(+)-trans-(S)-allethrin|(+)-trans-Allethrin|(1S)-3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate|(S)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R)-trans-chrysanthemate|(S)-3-allyl-3-methyl-4-oxocyclopent-2-enyl (+)-trans-chrysanthemate|[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate de 3-allyl-2-methyl-4-oxocyclopent-2-ene-1-yle|[1R-[1a(S*),3b]]-2,2-dimetil-3-(2-metilprop-1-enil)ciclopropanocarboxilato de 3-alil-2-metil-4-oxociclopent-2-en-1-ilo|3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl [1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylat|3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl-[1R-[1a(S*),3b]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropancarboxylate|4-09-00-00174|AI 3-29024|Allethrin Coil|bioallethrin S-cyclopentenyl|bioall|22467-86-3|28057-48-9|28991-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2039336
ARPathway2016 ARPathway2016_1523 Sethoxydim 74051-80-2 DTXSID9024304 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC(=NOCC)C1=C(O)CC(CC(C)SCC)CC1=O Sethoxydim 74051-80-2|Sethoxydim|(+-)-(ZE)-2-(1-Ethoxyiminobutyl)-5-(2-(ethylthio)propyl)-3-hydroxycyclohex-2-enone|2-(1-(Ethoxyimino)butyl)-5-(2-(ethylthio)propyl)-3-hydroxy-2-cyclohexen-1-one|2-[1-(Ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-on|2-[1-(Ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-one|2-[1-(ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-ene-1-one|2-[1-(Ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-one|2-[1-(Ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxycyclohex-2-en-1-one|2-Cyclohexen-1-one, 2-[1-(ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-|5-(2-etiltiopropil)-2-[1-(etoxiimino)butil]-3-hidroxiciclohex-2-en-1-ona|Aljaden|Alloxol S|BRN 5955471|Caswell No. 072A|Checkmate|CYCLOHEX-2-ENONE, 2-(1-ETHOXYIMINOBUTYL)-3-HYDROXY-5-[2-(ETHYLTHIO)PROPYL]-, (+)-|Cyethoxydim|EINECS 277-682-3|EPA Pesticide Chemical Code 121001|Fervinal|Fervinal plus|Grasidim|Poast Plus|Sethoxydime|Tritex-extra|73468-19-6|74433-80-0|77107-41-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024304
ARPathway2016 ARPathway2016_1523 Sethoxydim 74051-80-2 DTXSID9024304 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCC(=NOCC)C1=C(O)CC(CC(C)SCC)CC1=O Sethoxydim 74051-80-2|Sethoxydim|(+-)-(ZE)-2-(1-Ethoxyiminobutyl)-5-(2-(ethylthio)propyl)-3-hydroxycyclohex-2-enone|2-(1-(Ethoxyimino)butyl)-5-(2-(ethylthio)propyl)-3-hydroxy-2-cyclohexen-1-one|2-[1-(Ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-on|2-[1-(Ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-one|2-[1-(ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-ene-1-one|2-[1-(Ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-one|2-[1-(Ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxycyclohex-2-en-1-one|2-Cyclohexen-1-one, 2-[1-(ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-|5-(2-etiltiopropil)-2-[1-(etoxiimino)butil]-3-hidroxiciclohex-2-en-1-ona|Aljaden|Alloxol S|BRN 5955471|Caswell No. 072A|Checkmate|CYCLOHEX-2-ENONE, 2-(1-ETHOXYIMINOBUTYL)-3-HYDROXY-5-[2-(ETHYLTHIO)PROPYL]-, (+)-|Cyethoxydim|EINECS 277-682-3|EPA Pesticide Chemical Code 121001|Fervinal|Fervinal plus|Grasidim|Poast Plus|Sethoxydime|Tritex-extra|73468-19-6|74433-80-0|77107-41-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024304
ARPathway2016 ARPathway2016_1523 Sethoxydim 74051-80-2 DTXSID9024304 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCC(=NOCC)C1=C(O)CC(CC(C)SCC)CC1=O Sethoxydim 74051-80-2|Sethoxydim|(+-)-(ZE)-2-(1-Ethoxyiminobutyl)-5-(2-(ethylthio)propyl)-3-hydroxycyclohex-2-enone|2-(1-(Ethoxyimino)butyl)-5-(2-(ethylthio)propyl)-3-hydroxy-2-cyclohexen-1-one|2-[1-(Ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-on|2-[1-(Ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-one|2-[1-(ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-ene-1-one|2-[1-(Ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-one|2-[1-(Ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxycyclohex-2-en-1-one|2-Cyclohexen-1-one, 2-[1-(ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-|5-(2-etiltiopropil)-2-[1-(etoxiimino)butil]-3-hidroxiciclohex-2-en-1-ona|Aljaden|Alloxol S|BRN 5955471|Caswell No. 072A|Checkmate|CYCLOHEX-2-ENONE, 2-(1-ETHOXYIMINOBUTYL)-3-HYDROXY-5-[2-(ETHYLTHIO)PROPYL]-, (+)-|Cyethoxydim|EINECS 277-682-3|EPA Pesticide Chemical Code 121001|Fervinal|Fervinal plus|Grasidim|Poast Plus|Sethoxydime|Tritex-extra|73468-19-6|74433-80-0|77107-41-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024304
ARPathway2016 ARPathway2016_1523 Sethoxydim 74051-80-2 DTXSID9024304 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCC(=NOCC)C1=C(O)CC(CC(C)SCC)CC1=O Sethoxydim 74051-80-2|Sethoxydim|(+-)-(ZE)-2-(1-Ethoxyiminobutyl)-5-(2-(ethylthio)propyl)-3-hydroxycyclohex-2-enone|2-(1-(Ethoxyimino)butyl)-5-(2-(ethylthio)propyl)-3-hydroxy-2-cyclohexen-1-one|2-[1-(Ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-on|2-[1-(Ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-one|2-[1-(ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-ene-1-one|2-[1-(Ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-one|2-[1-(Ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxycyclohex-2-en-1-one|2-Cyclohexen-1-one, 2-[1-(ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-|5-(2-etiltiopropil)-2-[1-(etoxiimino)butil]-3-hidroxiciclohex-2-en-1-ona|Aljaden|Alloxol S|BRN 5955471|Caswell No. 072A|Checkmate|CYCLOHEX-2-ENONE, 2-(1-ETHOXYIMINOBUTYL)-3-HYDROXY-5-[2-(ETHYLTHIO)PROPYL]-, (+)-|Cyethoxydim|EINECS 277-682-3|EPA Pesticide Chemical Code 121001|Fervinal|Fervinal plus|Grasidim|Poast Plus|Sethoxydime|Tritex-extra|73468-19-6|74433-80-0|77107-41-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024304
ERPathway2016 ERPathway2016_1633 Sethoxydim 74051-80-2 DTXSID9024304 ER Pathway Model, Agonist Model Score 0 Unitless CCCC(=NOCC)C1=C(O)CC(CC(C)SCC)CC1=O Sethoxydim 74051-80-2|Sethoxydim|(+-)-(ZE)-2-(1-Ethoxyiminobutyl)-5-(2-(ethylthio)propyl)-3-hydroxycyclohex-2-enone|2-(1-(Ethoxyimino)butyl)-5-(2-(ethylthio)propyl)-3-hydroxy-2-cyclohexen-1-one|2-[1-(Ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-on|2-[1-(Ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-one|2-[1-(ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-ene-1-one|2-[1-(Ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-one|2-[1-(Ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxycyclohex-2-en-1-one|2-Cyclohexen-1-one, 2-[1-(ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-|5-(2-etiltiopropil)-2-[1-(etoxiimino)butil]-3-hidroxiciclohex-2-en-1-ona|Aljaden|Alloxol S|BRN 5955471|Caswell No. 072A|Checkmate|CYCLOHEX-2-ENONE, 2-(1-ETHOXYIMINOBUTYL)-3-HYDROXY-5-[2-(ETHYLTHIO)PROPYL]-, (+)-|Cyethoxydim|EINECS 277-682-3|EPA Pesticide Chemical Code 121001|Fervinal|Fervinal plus|Grasidim|Poast Plus|Sethoxydime|Tritex-extra|73468-19-6|74433-80-0|77107-41-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024304
ERPathway2016 ERPathway2016_1633 Sethoxydim 74051-80-2 DTXSID9024304 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC(=NOCC)C1=C(O)CC(CC(C)SCC)CC1=O Sethoxydim 74051-80-2|Sethoxydim|(+-)-(ZE)-2-(1-Ethoxyiminobutyl)-5-(2-(ethylthio)propyl)-3-hydroxycyclohex-2-enone|2-(1-(Ethoxyimino)butyl)-5-(2-(ethylthio)propyl)-3-hydroxy-2-cyclohexen-1-one|2-[1-(Ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-on|2-[1-(Ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-one|2-[1-(ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-ene-1-one|2-[1-(Ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-one|2-[1-(Ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxycyclohex-2-en-1-one|2-Cyclohexen-1-one, 2-[1-(ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-|5-(2-etiltiopropil)-2-[1-(etoxiimino)butil]-3-hidroxiciclohex-2-en-1-ona|Aljaden|Alloxol S|BRN 5955471|Caswell No. 072A|Checkmate|CYCLOHEX-2-ENONE, 2-(1-ETHOXYIMINOBUTYL)-3-HYDROXY-5-[2-(ETHYLTHIO)PROPYL]-, (+)-|Cyethoxydim|EINECS 277-682-3|EPA Pesticide Chemical Code 121001|Fervinal|Fervinal plus|Grasidim|Poast Plus|Sethoxydime|Tritex-extra|73468-19-6|74433-80-0|77107-41-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024304
ERPathway2016 ERPathway2016_1633 Sethoxydim 74051-80-2 DTXSID9024304 ER Pathway Model, Agonist Call Inactive Unitless CCCC(=NOCC)C1=C(O)CC(CC(C)SCC)CC1=O Sethoxydim 74051-80-2|Sethoxydim|(+-)-(ZE)-2-(1-Ethoxyiminobutyl)-5-(2-(ethylthio)propyl)-3-hydroxycyclohex-2-enone|2-(1-(Ethoxyimino)butyl)-5-(2-(ethylthio)propyl)-3-hydroxy-2-cyclohexen-1-one|2-[1-(Ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-on|2-[1-(Ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-one|2-[1-(ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-ene-1-one|2-[1-(Ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-one|2-[1-(Ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxycyclohex-2-en-1-one|2-Cyclohexen-1-one, 2-[1-(ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-|5-(2-etiltiopropil)-2-[1-(etoxiimino)butil]-3-hidroxiciclohex-2-en-1-ona|Aljaden|Alloxol S|BRN 5955471|Caswell No. 072A|Checkmate|CYCLOHEX-2-ENONE, 2-(1-ETHOXYIMINOBUTYL)-3-HYDROXY-5-[2-(ETHYLTHIO)PROPYL]-, (+)-|Cyethoxydim|EINECS 277-682-3|EPA Pesticide Chemical Code 121001|Fervinal|Fervinal plus|Grasidim|Poast Plus|Sethoxydime|Tritex-extra|73468-19-6|74433-80-0|77107-41-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024304
ERPathway2016 ERPathway2016_1633 Sethoxydim 74051-80-2 DTXSID9024304 ER Pathway Model, Antagonist Call Inactive Unitless CCCC(=NOCC)C1=C(O)CC(CC(C)SCC)CC1=O Sethoxydim 74051-80-2|Sethoxydim|(+-)-(ZE)-2-(1-Ethoxyiminobutyl)-5-(2-(ethylthio)propyl)-3-hydroxycyclohex-2-enone|2-(1-(Ethoxyimino)butyl)-5-(2-(ethylthio)propyl)-3-hydroxy-2-cyclohexen-1-one|2-[1-(Ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-on|2-[1-(Ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-one|2-[1-(ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-ene-1-one|2-[1-(Ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-one|2-[1-(Ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxycyclohex-2-en-1-one|2-Cyclohexen-1-one, 2-[1-(ethoxyimino)butyl]-5-[2-(ethylthio)propyl]-3-hydroxy-|5-(2-etiltiopropil)-2-[1-(etoxiimino)butil]-3-hidroxiciclohex-2-en-1-ona|Aljaden|Alloxol S|BRN 5955471|Caswell No. 072A|Checkmate|CYCLOHEX-2-ENONE, 2-(1-ETHOXYIMINOBUTYL)-3-HYDROXY-5-[2-(ETHYLTHIO)PROPYL]-, (+)-|Cyethoxydim|EINECS 277-682-3|EPA Pesticide Chemical Code 121001|Fervinal|Fervinal plus|Grasidim|Poast Plus|Sethoxydime|Tritex-extra|73468-19-6|74433-80-0|77107-41-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024304
ARPathway2016 ARPathway2016_1533 S-Ethyl dipropylthiocarbamate 759-94-4 DTXSID1024091 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCN(CCC)C(=O)SCC S-Ethyl dipropylthiocarbamate 759-94-4|S-Ethyl dipropylthiocarbamate|BRN 1762751|Carbamic acid, dipropylthio-, S-ethyl ester|Carbamothioic acid, dipropyl-, S-ethyl ester|Carbamothioic acid, N,N-dipropyl-, S-ethyl ester|Caswell No. 435|Dipropylcarbamothioic acid S-ethyl ester|Dipropylthiocarbamic acid S-ethyl ester|EINECS 212-073-8|EPA Pesticide Chemical Code 041401|Eptam|EPTC|Genep EPTC|N,N-Dipropylthiocarbamic acid S-ethyl ester|NSC 40486|S-Aethyl-N,N-dipropylthiolcarbamat|S-Ethyl dipropylcarbamothioate|S-Ethyl N,N-di-n-propylthiocarbamate|S-Ethyl N,N-dipropylthiocarbamate|S-Ethyl-N,N-dipropylthiocarbamate|Stauffer R 1608|UNII-R7PI3287F4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024091 https://doi.org/10.22427/NTP-DATA-DTXSID1024091
ARPathway2016 ARPathway2016_1533 S-Ethyl dipropylthiocarbamate 759-94-4 DTXSID1024091 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCN(CCC)C(=O)SCC S-Ethyl dipropylthiocarbamate 759-94-4|S-Ethyl dipropylthiocarbamate|BRN 1762751|Carbamic acid, dipropylthio-, S-ethyl ester|Carbamothioic acid, dipropyl-, S-ethyl ester|Carbamothioic acid, N,N-dipropyl-, S-ethyl ester|Caswell No. 435|Dipropylcarbamothioic acid S-ethyl ester|Dipropylthiocarbamic acid S-ethyl ester|EINECS 212-073-8|EPA Pesticide Chemical Code 041401|Eptam|EPTC|Genep EPTC|N,N-Dipropylthiocarbamic acid S-ethyl ester|NSC 40486|S-Aethyl-N,N-dipropylthiolcarbamat|S-Ethyl dipropylcarbamothioate|S-Ethyl N,N-di-n-propylthiocarbamate|S-Ethyl N,N-dipropylthiocarbamate|S-Ethyl-N,N-dipropylthiocarbamate|Stauffer R 1608|UNII-R7PI3287F4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024091 https://doi.org/10.22427/NTP-DATA-DTXSID1024091
ARPathway2016 ARPathway2016_1533 S-Ethyl dipropylthiocarbamate 759-94-4 DTXSID1024091 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCN(CCC)C(=O)SCC S-Ethyl dipropylthiocarbamate 759-94-4|S-Ethyl dipropylthiocarbamate|BRN 1762751|Carbamic acid, dipropylthio-, S-ethyl ester|Carbamothioic acid, dipropyl-, S-ethyl ester|Carbamothioic acid, N,N-dipropyl-, S-ethyl ester|Caswell No. 435|Dipropylcarbamothioic acid S-ethyl ester|Dipropylthiocarbamic acid S-ethyl ester|EINECS 212-073-8|EPA Pesticide Chemical Code 041401|Eptam|EPTC|Genep EPTC|N,N-Dipropylthiocarbamic acid S-ethyl ester|NSC 40486|S-Aethyl-N,N-dipropylthiolcarbamat|S-Ethyl dipropylcarbamothioate|S-Ethyl N,N-di-n-propylthiocarbamate|S-Ethyl N,N-dipropylthiocarbamate|S-Ethyl-N,N-dipropylthiocarbamate|Stauffer R 1608|UNII-R7PI3287F4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024091 https://doi.org/10.22427/NTP-DATA-DTXSID1024091
ARPathway2016 ARPathway2016_1533 S-Ethyl dipropylthiocarbamate 759-94-4 DTXSID1024091 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCN(CCC)C(=O)SCC S-Ethyl dipropylthiocarbamate 759-94-4|S-Ethyl dipropylthiocarbamate|BRN 1762751|Carbamic acid, dipropylthio-, S-ethyl ester|Carbamothioic acid, dipropyl-, S-ethyl ester|Carbamothioic acid, N,N-dipropyl-, S-ethyl ester|Caswell No. 435|Dipropylcarbamothioic acid S-ethyl ester|Dipropylthiocarbamic acid S-ethyl ester|EINECS 212-073-8|EPA Pesticide Chemical Code 041401|Eptam|EPTC|Genep EPTC|N,N-Dipropylthiocarbamic acid S-ethyl ester|NSC 40486|S-Aethyl-N,N-dipropylthiolcarbamat|S-Ethyl dipropylcarbamothioate|S-Ethyl N,N-di-n-propylthiocarbamate|S-Ethyl N,N-dipropylthiocarbamate|S-Ethyl-N,N-dipropylthiocarbamate|Stauffer R 1608|UNII-R7PI3287F4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024091 https://doi.org/10.22427/NTP-DATA-DTXSID1024091
ERPathway2016 ERPathway2016_1641 S-Ethyl dipropylthiocarbamate 759-94-4 DTXSID1024091 ER Pathway Model, Agonist Model Score 0 Unitless CCCN(CCC)C(=O)SCC S-Ethyl dipropylthiocarbamate 759-94-4|S-Ethyl dipropylthiocarbamate|BRN 1762751|Carbamic acid, dipropylthio-, S-ethyl ester|Carbamothioic acid, dipropyl-, S-ethyl ester|Carbamothioic acid, N,N-dipropyl-, S-ethyl ester|Caswell No. 435|Dipropylcarbamothioic acid S-ethyl ester|Dipropylthiocarbamic acid S-ethyl ester|EINECS 212-073-8|EPA Pesticide Chemical Code 041401|Eptam|EPTC|Genep EPTC|N,N-Dipropylthiocarbamic acid S-ethyl ester|NSC 40486|S-Aethyl-N,N-dipropylthiolcarbamat|S-Ethyl dipropylcarbamothioate|S-Ethyl N,N-di-n-propylthiocarbamate|S-Ethyl N,N-dipropylthiocarbamate|S-Ethyl-N,N-dipropylthiocarbamate|Stauffer R 1608|UNII-R7PI3287F4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024091 https://doi.org/10.22427/NTP-DATA-DTXSID1024091
ERPathway2016 ERPathway2016_1641 S-Ethyl dipropylthiocarbamate 759-94-4 DTXSID1024091 ER Pathway Model, Antagonist Model Score 0 Unitless CCCN(CCC)C(=O)SCC S-Ethyl dipropylthiocarbamate 759-94-4|S-Ethyl dipropylthiocarbamate|BRN 1762751|Carbamic acid, dipropylthio-, S-ethyl ester|Carbamothioic acid, dipropyl-, S-ethyl ester|Carbamothioic acid, N,N-dipropyl-, S-ethyl ester|Caswell No. 435|Dipropylcarbamothioic acid S-ethyl ester|Dipropylthiocarbamic acid S-ethyl ester|EINECS 212-073-8|EPA Pesticide Chemical Code 041401|Eptam|EPTC|Genep EPTC|N,N-Dipropylthiocarbamic acid S-ethyl ester|NSC 40486|S-Aethyl-N,N-dipropylthiolcarbamat|S-Ethyl dipropylcarbamothioate|S-Ethyl N,N-di-n-propylthiocarbamate|S-Ethyl N,N-dipropylthiocarbamate|S-Ethyl-N,N-dipropylthiocarbamate|Stauffer R 1608|UNII-R7PI3287F4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024091 https://doi.org/10.22427/NTP-DATA-DTXSID1024091
ERPathway2016 ERPathway2016_1641 S-Ethyl dipropylthiocarbamate 759-94-4 DTXSID1024091 ER Pathway Model, Agonist Call Inactive Unitless CCCN(CCC)C(=O)SCC S-Ethyl dipropylthiocarbamate 759-94-4|S-Ethyl dipropylthiocarbamate|BRN 1762751|Carbamic acid, dipropylthio-, S-ethyl ester|Carbamothioic acid, dipropyl-, S-ethyl ester|Carbamothioic acid, N,N-dipropyl-, S-ethyl ester|Caswell No. 435|Dipropylcarbamothioic acid S-ethyl ester|Dipropylthiocarbamic acid S-ethyl ester|EINECS 212-073-8|EPA Pesticide Chemical Code 041401|Eptam|EPTC|Genep EPTC|N,N-Dipropylthiocarbamic acid S-ethyl ester|NSC 40486|S-Aethyl-N,N-dipropylthiolcarbamat|S-Ethyl dipropylcarbamothioate|S-Ethyl N,N-di-n-propylthiocarbamate|S-Ethyl N,N-dipropylthiocarbamate|S-Ethyl-N,N-dipropylthiocarbamate|Stauffer R 1608|UNII-R7PI3287F4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024091 https://doi.org/10.22427/NTP-DATA-DTXSID1024091
ERPathway2016 ERPathway2016_1641 S-Ethyl dipropylthiocarbamate 759-94-4 DTXSID1024091 ER Pathway Model, Antagonist Call Inactive Unitless CCCN(CCC)C(=O)SCC S-Ethyl dipropylthiocarbamate 759-94-4|S-Ethyl dipropylthiocarbamate|BRN 1762751|Carbamic acid, dipropylthio-, S-ethyl ester|Carbamothioic acid, dipropyl-, S-ethyl ester|Carbamothioic acid, N,N-dipropyl-, S-ethyl ester|Caswell No. 435|Dipropylcarbamothioic acid S-ethyl ester|Dipropylthiocarbamic acid S-ethyl ester|EINECS 212-073-8|EPA Pesticide Chemical Code 041401|Eptam|EPTC|Genep EPTC|N,N-Dipropylthiocarbamic acid S-ethyl ester|NSC 40486|S-Aethyl-N,N-dipropylthiolcarbamat|S-Ethyl dipropylcarbamothioate|S-Ethyl N,N-di-n-propylthiocarbamate|S-Ethyl N,N-dipropylthiocarbamate|S-Ethyl-N,N-dipropylthiocarbamate|Stauffer R 1608|UNII-R7PI3287F4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024091 https://doi.org/10.22427/NTP-DATA-DTXSID1024091
ARPathway2016 ARPathway2016_1537 Silica 7631-86-9 DTXSID1029677 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless O=[Si]=O Silica 7631-86-9|Silica|(SiO2)n|231-545-4|482-100-8|Acematt HK 400|Acematt OK 500|Acematt TS 100|Acrifix 122|Acticel|Adelite 20N|Adelite A|Adelite AD 321|Adelite AT|Adelite AT 20|Adelite AT 2045|Adelite AT 20A|Adelite AT 20N|Adelite AT 20Q|Adelite AT 20S|Adelite AT 30|Adelite AT 30A|Adelite AT 30B|Adelite AT 30S|Adelite AT 40|Adelite AT 50|Adelite BT 55|Adelite BT 59|Adelite CT 100|Adelite CT 300|Admatechs SO-E 2|Adsolider 101|Aerocat 3002/50|Aerogel 200|Aerogel 300|Aerogel A 200|Aerogel OX 50|Aerogel W 15|Aerolyst 3038|Aerolyst 3041|Aerolyst 3043|Aerolyst 3045|Aerolyst 350|Aeroperl 300|Aerosic|Aerosic HDK 20E|Aerosil|Aerosil 1200|Aerosil 1200CF|Aerosil 130|Aerosil 1300|Aerosil 130V|Aerosil 1380|Aerosil 1380S|Aerosil 150|Aerosil 175|Aerosil 180|Aerosil 200|Aerosil 200CF|Aerosil 200D|Aerosil 200FAD|Aerosil 200PE|Aerosil 200V|Aerosil 200VS|Aerosil 202|Aerosil 220|Aerosil 2491|Aerosil 300|Aerosil 300CF|Aerosil 300SF75|Aerosil 300V|Aerosil 308|Aerosil 360|Aerosil 380|Aerosil 380PE|Aerosil 380S|Aerosil 805|Aerosil 811|Aerosil 812|Aerosil|1004994-79-9|1006727-26-9|1007355-41-0|102381-58-8|1065194-86-6|107497-59-6|108727-71-5|11139-72-3|11139-73-4|113384-41-1|1151767-34-8|1206890-01-8|12125-13-2|122985-48-2|125623-17-8|1259281-12-3|1262535-72-7|126879-14-9|126879-30-9|126879-49-0|12737-36-9|12753-63-8|12765-74-1|127689-16-1|12774-28-6|127831-27-0|1340-09-6|1354383-62-2|136303-13-4|1364664-19-6|1365618-91-2|1367454-14-5|136881-80-6|137263-03-7|1373553-98-0|1377807-27-6|1384115-98-3|138860-82-9|139074-73-0|1396528-08-7|1431704-97-0|1431704-98-1|1431705-01-9|145537-54-8|145686-91-5|145808-77-1|146585-72-0|1474086-62-8|149779-02-2|150633-20-8|152206-35-4|152787-33-2|155552-25-3|155575-05-6|1675960-65-2|1678497-74-9|171264-18-9|172306-09-1|173299-41-7|173358-69-5|179046-03-8|1844839-43-5|184654-53-3|1848955-43-0|185461-90-9|188357-77-9|191289-29-9|1933499-98-9|203526-86-7|2067262-90-0|206770-31-2|207868-97-1|2095803-93-1|2098352-97-5|2098352-98-6|2098352-99-7|2098354-30-2|2135813-99-7|2148930-88-3|2170638-70-5|2174974-17-3|2174974-56-0|217643-58-8|2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029677
ARPathway2016 ARPathway2016_1537 Silica 7631-86-9 DTXSID1029677 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless O=[Si]=O Silica 7631-86-9|Silica|(SiO2)n|231-545-4|482-100-8|Acematt HK 400|Acematt OK 500|Acematt TS 100|Acrifix 122|Acticel|Adelite 20N|Adelite A|Adelite AD 321|Adelite AT|Adelite AT 20|Adelite AT 2045|Adelite AT 20A|Adelite AT 20N|Adelite AT 20Q|Adelite AT 20S|Adelite AT 30|Adelite AT 30A|Adelite AT 30B|Adelite AT 30S|Adelite AT 40|Adelite AT 50|Adelite BT 55|Adelite BT 59|Adelite CT 100|Adelite CT 300|Admatechs SO-E 2|Adsolider 101|Aerocat 3002/50|Aerogel 200|Aerogel 300|Aerogel A 200|Aerogel OX 50|Aerogel W 15|Aerolyst 3038|Aerolyst 3041|Aerolyst 3043|Aerolyst 3045|Aerolyst 350|Aeroperl 300|Aerosic|Aerosic HDK 20E|Aerosil|Aerosil 1200|Aerosil 1200CF|Aerosil 130|Aerosil 1300|Aerosil 130V|Aerosil 1380|Aerosil 1380S|Aerosil 150|Aerosil 175|Aerosil 180|Aerosil 200|Aerosil 200CF|Aerosil 200D|Aerosil 200FAD|Aerosil 200PE|Aerosil 200V|Aerosil 200VS|Aerosil 202|Aerosil 220|Aerosil 2491|Aerosil 300|Aerosil 300CF|Aerosil 300SF75|Aerosil 300V|Aerosil 308|Aerosil 360|Aerosil 380|Aerosil 380PE|Aerosil 380S|Aerosil 805|Aerosil 811|Aerosil 812|Aerosil|1004994-79-9|1006727-26-9|1007355-41-0|102381-58-8|1065194-86-6|107497-59-6|108727-71-5|11139-72-3|11139-73-4|113384-41-1|1151767-34-8|1206890-01-8|12125-13-2|122985-48-2|125623-17-8|1259281-12-3|1262535-72-7|126879-14-9|126879-30-9|126879-49-0|12737-36-9|12753-63-8|12765-74-1|127689-16-1|12774-28-6|127831-27-0|1340-09-6|1354383-62-2|136303-13-4|1364664-19-6|1365618-91-2|1367454-14-5|136881-80-6|137263-03-7|1373553-98-0|1377807-27-6|1384115-98-3|138860-82-9|139074-73-0|1396528-08-7|1431704-97-0|1431704-98-1|1431705-01-9|145537-54-8|145686-91-5|145808-77-1|146585-72-0|1474086-62-8|149779-02-2|150633-20-8|152206-35-4|152787-33-2|155552-25-3|155575-05-6|1675960-65-2|1678497-74-9|171264-18-9|172306-09-1|173299-41-7|173358-69-5|179046-03-8|1844839-43-5|184654-53-3|1848955-43-0|185461-90-9|188357-77-9|191289-29-9|1933499-98-9|203526-86-7|2067262-90-0|206770-31-2|207868-97-1|2095803-93-1|2098352-97-5|2098352-98-6|2098352-99-7|2098354-30-2|2135813-99-7|2148930-88-3|2170638-70-5|2174974-17-3|2174974-56-0|217643-58-8|2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029677
ARPathway2016 ARPathway2016_1537 Silica 7631-86-9 DTXSID1029677 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless O=[Si]=O Silica 7631-86-9|Silica|(SiO2)n|231-545-4|482-100-8|Acematt HK 400|Acematt OK 500|Acematt TS 100|Acrifix 122|Acticel|Adelite 20N|Adelite A|Adelite AD 321|Adelite AT|Adelite AT 20|Adelite AT 2045|Adelite AT 20A|Adelite AT 20N|Adelite AT 20Q|Adelite AT 20S|Adelite AT 30|Adelite AT 30A|Adelite AT 30B|Adelite AT 30S|Adelite AT 40|Adelite AT 50|Adelite BT 55|Adelite BT 59|Adelite CT 100|Adelite CT 300|Admatechs SO-E 2|Adsolider 101|Aerocat 3002/50|Aerogel 200|Aerogel 300|Aerogel A 200|Aerogel OX 50|Aerogel W 15|Aerolyst 3038|Aerolyst 3041|Aerolyst 3043|Aerolyst 3045|Aerolyst 350|Aeroperl 300|Aerosic|Aerosic HDK 20E|Aerosil|Aerosil 1200|Aerosil 1200CF|Aerosil 130|Aerosil 1300|Aerosil 130V|Aerosil 1380|Aerosil 1380S|Aerosil 150|Aerosil 175|Aerosil 180|Aerosil 200|Aerosil 200CF|Aerosil 200D|Aerosil 200FAD|Aerosil 200PE|Aerosil 200V|Aerosil 200VS|Aerosil 202|Aerosil 220|Aerosil 2491|Aerosil 300|Aerosil 300CF|Aerosil 300SF75|Aerosil 300V|Aerosil 308|Aerosil 360|Aerosil 380|Aerosil 380PE|Aerosil 380S|Aerosil 805|Aerosil 811|Aerosil 812|Aerosil|1004994-79-9|1006727-26-9|1007355-41-0|102381-58-8|1065194-86-6|107497-59-6|108727-71-5|11139-72-3|11139-73-4|113384-41-1|1151767-34-8|1206890-01-8|12125-13-2|122985-48-2|125623-17-8|1259281-12-3|1262535-72-7|126879-14-9|126879-30-9|126879-49-0|12737-36-9|12753-63-8|12765-74-1|127689-16-1|12774-28-6|127831-27-0|1340-09-6|1354383-62-2|136303-13-4|1364664-19-6|1365618-91-2|1367454-14-5|136881-80-6|137263-03-7|1373553-98-0|1377807-27-6|1384115-98-3|138860-82-9|139074-73-0|1396528-08-7|1431704-97-0|1431704-98-1|1431705-01-9|145537-54-8|145686-91-5|145808-77-1|146585-72-0|1474086-62-8|149779-02-2|150633-20-8|152206-35-4|152787-33-2|155552-25-3|155575-05-6|1675960-65-2|1678497-74-9|171264-18-9|172306-09-1|173299-41-7|173358-69-5|179046-03-8|1844839-43-5|184654-53-3|1848955-43-0|185461-90-9|188357-77-9|191289-29-9|1933499-98-9|203526-86-7|2067262-90-0|206770-31-2|207868-97-1|2095803-93-1|2098352-97-5|2098352-98-6|2098352-99-7|2098354-30-2|2135813-99-7|2148930-88-3|2170638-70-5|2174974-17-3|2174974-56-0|217643-58-8|2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029677
ARPathway2016 ARPathway2016_1537 Silica 7631-86-9 DTXSID1029677 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless O=[Si]=O Silica 7631-86-9|Silica|(SiO2)n|231-545-4|482-100-8|Acematt HK 400|Acematt OK 500|Acematt TS 100|Acrifix 122|Acticel|Adelite 20N|Adelite A|Adelite AD 321|Adelite AT|Adelite AT 20|Adelite AT 2045|Adelite AT 20A|Adelite AT 20N|Adelite AT 20Q|Adelite AT 20S|Adelite AT 30|Adelite AT 30A|Adelite AT 30B|Adelite AT 30S|Adelite AT 40|Adelite AT 50|Adelite BT 55|Adelite BT 59|Adelite CT 100|Adelite CT 300|Admatechs SO-E 2|Adsolider 101|Aerocat 3002/50|Aerogel 200|Aerogel 300|Aerogel A 200|Aerogel OX 50|Aerogel W 15|Aerolyst 3038|Aerolyst 3041|Aerolyst 3043|Aerolyst 3045|Aerolyst 350|Aeroperl 300|Aerosic|Aerosic HDK 20E|Aerosil|Aerosil 1200|Aerosil 1200CF|Aerosil 130|Aerosil 1300|Aerosil 130V|Aerosil 1380|Aerosil 1380S|Aerosil 150|Aerosil 175|Aerosil 180|Aerosil 200|Aerosil 200CF|Aerosil 200D|Aerosil 200FAD|Aerosil 200PE|Aerosil 200V|Aerosil 200VS|Aerosil 202|Aerosil 220|Aerosil 2491|Aerosil 300|Aerosil 300CF|Aerosil 300SF75|Aerosil 300V|Aerosil 308|Aerosil 360|Aerosil 380|Aerosil 380PE|Aerosil 380S|Aerosil 805|Aerosil 811|Aerosil 812|Aerosil|1004994-79-9|1006727-26-9|1007355-41-0|102381-58-8|1065194-86-6|107497-59-6|108727-71-5|11139-72-3|11139-73-4|113384-41-1|1151767-34-8|1206890-01-8|12125-13-2|122985-48-2|125623-17-8|1259281-12-3|1262535-72-7|126879-14-9|126879-30-9|126879-49-0|12737-36-9|12753-63-8|12765-74-1|127689-16-1|12774-28-6|127831-27-0|1340-09-6|1354383-62-2|136303-13-4|1364664-19-6|1365618-91-2|1367454-14-5|136881-80-6|137263-03-7|1373553-98-0|1377807-27-6|1384115-98-3|138860-82-9|139074-73-0|1396528-08-7|1431704-97-0|1431704-98-1|1431705-01-9|145537-54-8|145686-91-5|145808-77-1|146585-72-0|1474086-62-8|149779-02-2|150633-20-8|152206-35-4|152787-33-2|155552-25-3|155575-05-6|1675960-65-2|1678497-74-9|171264-18-9|172306-09-1|173299-41-7|173358-69-5|179046-03-8|1844839-43-5|184654-53-3|1848955-43-0|185461-90-9|188357-77-9|191289-29-9|1933499-98-9|203526-86-7|2067262-90-0|206770-31-2|207868-97-1|2095803-93-1|2098352-97-5|2098352-98-6|2098352-99-7|2098354-30-2|2135813-99-7|2148930-88-3|2170638-70-5|2174974-17-3|2174974-56-0|217643-58-8|2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029677
ARPathway2016 ARPathway2016_696 Simazine 122-34-9 DTXSID4021268 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCNC1=NC(NCC)=NC(Cl)=N1 Simazine 122-34-9|Simazine|1-Chloro-3,5-bis(ethylamino)-2,4,6-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diethyl-|2-Chloro-4,6-bis(ethylamino)-1,3,5-triazine|2-Chloro-4,6-bis(ethylamino)-s-triazine|2-Chloro-4,6-bis(ethylamino)-sym-triazine|2,4-Bis(aethylamino)-6-chlor-1,3,5-triazin|2,4-bis(ethylamino)-6-chloro-1,3,5-triazine|2,4-Bis(ethylamino)-6-chloro-s-triazine|2,4-Di(ethylamino)-6-chloro-1,3,5-triazine|204-535-2|4,6-Bis(ethylamino)-2-chlorotriazine|6-chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine|6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine|6-chloro-N(2),N(4)-diethyl-1,3,5-triazine-2,4-diamine|6-Chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine|Aktinit S|Amizine|Aquazine|Batazina|Batazina FLO|Batazine FLO|Bitemol|Bitemol S 50|BRN 0010895|Caswell No. 740|CAT|Cekusan|Cekusima|Cekuzina-S|Deethylhydroxysimazine|EC No.: 204-535-2|EINECS 204-535-2|EPA Pesticide Chemical Code 080807|G27692|Geigy 27,692|Geigy 27692|Gesapun|Gesatop|Gesatop D|Herbatoxol S|Herbazin|Herbazin 50|Herb|11141-20-1|119603-94-0|12764-71-5|39291-64-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021268 https://doi.org/10.22427/NTP-DATA-DTXSID4021268
ARPathway2016 ARPathway2016_696 Simazine 122-34-9 DTXSID4021268 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCNC1=NC(NCC)=NC(Cl)=N1 Simazine 122-34-9|Simazine|1-Chloro-3,5-bis(ethylamino)-2,4,6-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diethyl-|2-Chloro-4,6-bis(ethylamino)-1,3,5-triazine|2-Chloro-4,6-bis(ethylamino)-s-triazine|2-Chloro-4,6-bis(ethylamino)-sym-triazine|2,4-Bis(aethylamino)-6-chlor-1,3,5-triazin|2,4-bis(ethylamino)-6-chloro-1,3,5-triazine|2,4-Bis(ethylamino)-6-chloro-s-triazine|2,4-Di(ethylamino)-6-chloro-1,3,5-triazine|204-535-2|4,6-Bis(ethylamino)-2-chlorotriazine|6-chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine|6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine|6-chloro-N(2),N(4)-diethyl-1,3,5-triazine-2,4-diamine|6-Chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine|Aktinit S|Amizine|Aquazine|Batazina|Batazina FLO|Batazine FLO|Bitemol|Bitemol S 50|BRN 0010895|Caswell No. 740|CAT|Cekusan|Cekusima|Cekuzina-S|Deethylhydroxysimazine|EC No.: 204-535-2|EINECS 204-535-2|EPA Pesticide Chemical Code 080807|G27692|Geigy 27,692|Geigy 27692|Gesapun|Gesatop|Gesatop D|Herbatoxol S|Herbazin|Herbazin 50|Herb|11141-20-1|119603-94-0|12764-71-5|39291-64-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021268 https://doi.org/10.22427/NTP-DATA-DTXSID4021268
ARPathway2016 ARPathway2016_696 Simazine 122-34-9 DTXSID4021268 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCNC1=NC(NCC)=NC(Cl)=N1 Simazine 122-34-9|Simazine|1-Chloro-3,5-bis(ethylamino)-2,4,6-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diethyl-|2-Chloro-4,6-bis(ethylamino)-1,3,5-triazine|2-Chloro-4,6-bis(ethylamino)-s-triazine|2-Chloro-4,6-bis(ethylamino)-sym-triazine|2,4-Bis(aethylamino)-6-chlor-1,3,5-triazin|2,4-bis(ethylamino)-6-chloro-1,3,5-triazine|2,4-Bis(ethylamino)-6-chloro-s-triazine|2,4-Di(ethylamino)-6-chloro-1,3,5-triazine|204-535-2|4,6-Bis(ethylamino)-2-chlorotriazine|6-chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine|6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine|6-chloro-N(2),N(4)-diethyl-1,3,5-triazine-2,4-diamine|6-Chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine|Aktinit S|Amizine|Aquazine|Batazina|Batazina FLO|Batazine FLO|Bitemol|Bitemol S 50|BRN 0010895|Caswell No. 740|CAT|Cekusan|Cekusima|Cekuzina-S|Deethylhydroxysimazine|EC No.: 204-535-2|EINECS 204-535-2|EPA Pesticide Chemical Code 080807|G27692|Geigy 27,692|Geigy 27692|Gesapun|Gesatop|Gesatop D|Herbatoxol S|Herbazin|Herbazin 50|Herb|11141-20-1|119603-94-0|12764-71-5|39291-64-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021268 https://doi.org/10.22427/NTP-DATA-DTXSID4021268
ARPathway2016 ARPathway2016_696 Simazine 122-34-9 DTXSID4021268 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCNC1=NC(NCC)=NC(Cl)=N1 Simazine 122-34-9|Simazine|1-Chloro-3,5-bis(ethylamino)-2,4,6-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diethyl-|2-Chloro-4,6-bis(ethylamino)-1,3,5-triazine|2-Chloro-4,6-bis(ethylamino)-s-triazine|2-Chloro-4,6-bis(ethylamino)-sym-triazine|2,4-Bis(aethylamino)-6-chlor-1,3,5-triazin|2,4-bis(ethylamino)-6-chloro-1,3,5-triazine|2,4-Bis(ethylamino)-6-chloro-s-triazine|2,4-Di(ethylamino)-6-chloro-1,3,5-triazine|204-535-2|4,6-Bis(ethylamino)-2-chlorotriazine|6-chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine|6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine|6-chloro-N(2),N(4)-diethyl-1,3,5-triazine-2,4-diamine|6-Chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine|Aktinit S|Amizine|Aquazine|Batazina|Batazina FLO|Batazine FLO|Bitemol|Bitemol S 50|BRN 0010895|Caswell No. 740|CAT|Cekusan|Cekusima|Cekuzina-S|Deethylhydroxysimazine|EC No.: 204-535-2|EINECS 204-535-2|EPA Pesticide Chemical Code 080807|G27692|Geigy 27,692|Geigy 27692|Gesapun|Gesatop|Gesatop D|Herbatoxol S|Herbazin|Herbazin 50|Herb|11141-20-1|119603-94-0|12764-71-5|39291-64-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021268 https://doi.org/10.22427/NTP-DATA-DTXSID4021268
ERPathway2016 ERPathway2016_1222 Simazine 122-34-9 DTXSID4021268 ER Pathway Model, Agonist Model Score 0 Unitless CCNC1=NC(NCC)=NC(Cl)=N1 Simazine 122-34-9|Simazine|1-Chloro-3,5-bis(ethylamino)-2,4,6-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diethyl-|2-Chloro-4,6-bis(ethylamino)-1,3,5-triazine|2-Chloro-4,6-bis(ethylamino)-s-triazine|2-Chloro-4,6-bis(ethylamino)-sym-triazine|2,4-Bis(aethylamino)-6-chlor-1,3,5-triazin|2,4-bis(ethylamino)-6-chloro-1,3,5-triazine|2,4-Bis(ethylamino)-6-chloro-s-triazine|2,4-Di(ethylamino)-6-chloro-1,3,5-triazine|204-535-2|4,6-Bis(ethylamino)-2-chlorotriazine|6-chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine|6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine|6-chloro-N(2),N(4)-diethyl-1,3,5-triazine-2,4-diamine|6-Chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine|Aktinit S|Amizine|Aquazine|Batazina|Batazina FLO|Batazine FLO|Bitemol|Bitemol S 50|BRN 0010895|Caswell No. 740|CAT|Cekusan|Cekusima|Cekuzina-S|Deethylhydroxysimazine|EC No.: 204-535-2|EINECS 204-535-2|EPA Pesticide Chemical Code 080807|G27692|Geigy 27,692|Geigy 27692|Gesapun|Gesatop|Gesatop D|Herbatoxol S|Herbazin|Herbazin 50|Herb|11141-20-1|119603-94-0|12764-71-5|39291-64-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021268 https://doi.org/10.22427/NTP-DATA-DTXSID4021268
ERPathway2016 ERPathway2016_1222 Simazine 122-34-9 DTXSID4021268 ER Pathway Model, Antagonist Model Score 0 Unitless CCNC1=NC(NCC)=NC(Cl)=N1 Simazine 122-34-9|Simazine|1-Chloro-3,5-bis(ethylamino)-2,4,6-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diethyl-|2-Chloro-4,6-bis(ethylamino)-1,3,5-triazine|2-Chloro-4,6-bis(ethylamino)-s-triazine|2-Chloro-4,6-bis(ethylamino)-sym-triazine|2,4-Bis(aethylamino)-6-chlor-1,3,5-triazin|2,4-bis(ethylamino)-6-chloro-1,3,5-triazine|2,4-Bis(ethylamino)-6-chloro-s-triazine|2,4-Di(ethylamino)-6-chloro-1,3,5-triazine|204-535-2|4,6-Bis(ethylamino)-2-chlorotriazine|6-chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine|6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine|6-chloro-N(2),N(4)-diethyl-1,3,5-triazine-2,4-diamine|6-Chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine|Aktinit S|Amizine|Aquazine|Batazina|Batazina FLO|Batazine FLO|Bitemol|Bitemol S 50|BRN 0010895|Caswell No. 740|CAT|Cekusan|Cekusima|Cekuzina-S|Deethylhydroxysimazine|EC No.: 204-535-2|EINECS 204-535-2|EPA Pesticide Chemical Code 080807|G27692|Geigy 27,692|Geigy 27692|Gesapun|Gesatop|Gesatop D|Herbatoxol S|Herbazin|Herbazin 50|Herb|11141-20-1|119603-94-0|12764-71-5|39291-64-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021268 https://doi.org/10.22427/NTP-DATA-DTXSID4021268
ERPathway2016 ERPathway2016_1222 Simazine 122-34-9 DTXSID4021268 ER Pathway Model, Agonist Call Inactive Unitless CCNC1=NC(NCC)=NC(Cl)=N1 Simazine 122-34-9|Simazine|1-Chloro-3,5-bis(ethylamino)-2,4,6-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diethyl-|2-Chloro-4,6-bis(ethylamino)-1,3,5-triazine|2-Chloro-4,6-bis(ethylamino)-s-triazine|2-Chloro-4,6-bis(ethylamino)-sym-triazine|2,4-Bis(aethylamino)-6-chlor-1,3,5-triazin|2,4-bis(ethylamino)-6-chloro-1,3,5-triazine|2,4-Bis(ethylamino)-6-chloro-s-triazine|2,4-Di(ethylamino)-6-chloro-1,3,5-triazine|204-535-2|4,6-Bis(ethylamino)-2-chlorotriazine|6-chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine|6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine|6-chloro-N(2),N(4)-diethyl-1,3,5-triazine-2,4-diamine|6-Chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine|Aktinit S|Amizine|Aquazine|Batazina|Batazina FLO|Batazine FLO|Bitemol|Bitemol S 50|BRN 0010895|Caswell No. 740|CAT|Cekusan|Cekusima|Cekuzina-S|Deethylhydroxysimazine|EC No.: 204-535-2|EINECS 204-535-2|EPA Pesticide Chemical Code 080807|G27692|Geigy 27,692|Geigy 27692|Gesapun|Gesatop|Gesatop D|Herbatoxol S|Herbazin|Herbazin 50|Herb|11141-20-1|119603-94-0|12764-71-5|39291-64-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021268 https://doi.org/10.22427/NTP-DATA-DTXSID4021268
ERPathway2016 ERPathway2016_1222 Simazine 122-34-9 DTXSID4021268 ER Pathway Model, Antagonist Call Inactive Unitless CCNC1=NC(NCC)=NC(Cl)=N1 Simazine 122-34-9|Simazine|1-Chloro-3,5-bis(ethylamino)-2,4,6-triazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-|1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diethyl-|2-Chloro-4,6-bis(ethylamino)-1,3,5-triazine|2-Chloro-4,6-bis(ethylamino)-s-triazine|2-Chloro-4,6-bis(ethylamino)-sym-triazine|2,4-Bis(aethylamino)-6-chlor-1,3,5-triazin|2,4-bis(ethylamino)-6-chloro-1,3,5-triazine|2,4-Bis(ethylamino)-6-chloro-s-triazine|2,4-Di(ethylamino)-6-chloro-1,3,5-triazine|204-535-2|4,6-Bis(ethylamino)-2-chlorotriazine|6-chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine|6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine|6-chloro-N(2),N(4)-diethyl-1,3,5-triazine-2,4-diamine|6-Chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine|Aktinit S|Amizine|Aquazine|Batazina|Batazina FLO|Batazine FLO|Bitemol|Bitemol S 50|BRN 0010895|Caswell No. 740|CAT|Cekusan|Cekusima|Cekuzina-S|Deethylhydroxysimazine|EC No.: 204-535-2|EINECS 204-535-2|EPA Pesticide Chemical Code 080807|G27692|Geigy 27,692|Geigy 27692|Gesapun|Gesatop|Gesatop D|Herbatoxol S|Herbazin|Herbazin 50|Herb|11141-20-1|119603-94-0|12764-71-5|39291-64-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021268 https://doi.org/10.22427/NTP-DATA-DTXSID4021268
ARPathway2016 ARPathway2016_281 Simvastatin 79902-63-9 DTXSID0023581 1.0 A9 AR Pathway Model, Agonist AC50 21.2195366836841 uM CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 Simvastatin 79902-63-9|Simvastatin|(+)-Simvastatin|(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate|2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one|Apo-Simvastatin|Bestatin 20|BRN 4768037|Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester|Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-|Cholestat|Co-Simvastatin|Coledis|Colemin|Corolin|Denan|Eucor|Kolestevan|L 644128-000U|Labistatin|Lipex|Lipinorm|Liponorm|Lipovas|Lodales|MK-733|Modutrol|Nivelipol|Nor-Vastina|Novo-Simvastatin|Pepstatin|Pms-simvastatin|Rechol|Rendapid|Simastin 20|Simcor|Simovil|Simvastatin lactone|Simvastatina|Simvastatine|Simvast|118607-03-7|98609-43-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023581
ARPathway2016 ARPathway2016_281 Simvastatin 79902-63-9 DTXSID0023581 1.0 A9 AR Pathway Model, Agonist ACC 7.96437912593395 uM CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 Simvastatin 79902-63-9|Simvastatin|(+)-Simvastatin|(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate|2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one|Apo-Simvastatin|Bestatin 20|BRN 4768037|Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester|Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-|Cholestat|Co-Simvastatin|Coledis|Colemin|Corolin|Denan|Eucor|Kolestevan|L 644128-000U|Labistatin|Lipex|Lipinorm|Liponorm|Lipovas|Lodales|MK-733|Modutrol|Nivelipol|Nor-Vastina|Novo-Simvastatin|Pepstatin|Pms-simvastatin|Rechol|Rendapid|Simastin 20|Simcor|Simovil|Simvastatin lactone|Simvastatina|Simvastatine|Simvast|118607-03-7|98609-43-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023581
ARPathway2016 ARPathway2016_281 Simvastatin 79902-63-9 DTXSID0023581 1.0 A9 AR Pathway Model, Antagonist Model Score 0.0168 Unitless CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 Simvastatin 79902-63-9|Simvastatin|(+)-Simvastatin|(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate|2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one|Apo-Simvastatin|Bestatin 20|BRN 4768037|Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester|Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-|Cholestat|Co-Simvastatin|Coledis|Colemin|Corolin|Denan|Eucor|Kolestevan|L 644128-000U|Labistatin|Lipex|Lipinorm|Liponorm|Lipovas|Lodales|MK-733|Modutrol|Nivelipol|Nor-Vastina|Novo-Simvastatin|Pepstatin|Pms-simvastatin|Rechol|Rendapid|Simastin 20|Simcor|Simovil|Simvastatin lactone|Simvastatina|Simvastatine|Simvast|118607-03-7|98609-43-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023581
ARPathway2016 ARPathway2016_281 Simvastatin 79902-63-9 DTXSID0023581 1.0 A9 AR Pathway Model, Agonist Model Score 0.0112 Unitless CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 Simvastatin 79902-63-9|Simvastatin|(+)-Simvastatin|(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate|2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one|Apo-Simvastatin|Bestatin 20|BRN 4768037|Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester|Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-|Cholestat|Co-Simvastatin|Coledis|Colemin|Corolin|Denan|Eucor|Kolestevan|L 644128-000U|Labistatin|Lipex|Lipinorm|Liponorm|Lipovas|Lodales|MK-733|Modutrol|Nivelipol|Nor-Vastina|Novo-Simvastatin|Pepstatin|Pms-simvastatin|Rechol|Rendapid|Simastin 20|Simcor|Simovil|Simvastatin lactone|Simvastatina|Simvastatine|Simvast|118607-03-7|98609-43-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023581
ARPathway2016 ARPathway2016_281 Simvastatin 79902-63-9 DTXSID0023581 1.0 A9 AR Pathway Model, Agonist Call Active Unitless CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 Simvastatin 79902-63-9|Simvastatin|(+)-Simvastatin|(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate|2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one|Apo-Simvastatin|Bestatin 20|BRN 4768037|Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester|Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-|Cholestat|Co-Simvastatin|Coledis|Colemin|Corolin|Denan|Eucor|Kolestevan|L 644128-000U|Labistatin|Lipex|Lipinorm|Liponorm|Lipovas|Lodales|MK-733|Modutrol|Nivelipol|Nor-Vastina|Novo-Simvastatin|Pepstatin|Pms-simvastatin|Rechol|Rendapid|Simastin 20|Simcor|Simovil|Simvastatin lactone|Simvastatina|Simvastatine|Simvast|118607-03-7|98609-43-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023581
ARPathway2016 ARPathway2016_281 Simvastatin 79902-63-9 DTXSID0023581 1.0 A9 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 Simvastatin 79902-63-9|Simvastatin|(+)-Simvastatin|(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate|2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one|Apo-Simvastatin|Bestatin 20|BRN 4768037|Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester|Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-|Cholestat|Co-Simvastatin|Coledis|Colemin|Corolin|Denan|Eucor|Kolestevan|L 644128-000U|Labistatin|Lipex|Lipinorm|Liponorm|Lipovas|Lodales|MK-733|Modutrol|Nivelipol|Nor-Vastina|Novo-Simvastatin|Pepstatin|Pms-simvastatin|Rechol|Rendapid|Simastin 20|Simcor|Simovil|Simvastatin lactone|Simvastatina|Simvastatine|Simvast|118607-03-7|98609-43-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023581
ERPathway2016 ERPathway2016_524 Simvastatin 79902-63-9 DTXSID0023581 A13 ER Pathway Model, Agonist Model Score 0 Unitless CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 Simvastatin 79902-63-9|Simvastatin|(+)-Simvastatin|(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate|2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one|Apo-Simvastatin|Bestatin 20|BRN 4768037|Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester|Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-|Cholestat|Co-Simvastatin|Coledis|Colemin|Corolin|Denan|Eucor|Kolestevan|L 644128-000U|Labistatin|Lipex|Lipinorm|Liponorm|Lipovas|Lodales|MK-733|Modutrol|Nivelipol|Nor-Vastina|Novo-Simvastatin|Pepstatin|Pms-simvastatin|Rechol|Rendapid|Simastin 20|Simcor|Simovil|Simvastatin lactone|Simvastatina|Simvastatine|Simvast|118607-03-7|98609-43-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023581
ERPathway2016 ERPathway2016_524 Simvastatin 79902-63-9 DTXSID0023581 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 Simvastatin 79902-63-9|Simvastatin|(+)-Simvastatin|(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate|2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one|Apo-Simvastatin|Bestatin 20|BRN 4768037|Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester|Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-|Cholestat|Co-Simvastatin|Coledis|Colemin|Corolin|Denan|Eucor|Kolestevan|L 644128-000U|Labistatin|Lipex|Lipinorm|Liponorm|Lipovas|Lodales|MK-733|Modutrol|Nivelipol|Nor-Vastina|Novo-Simvastatin|Pepstatin|Pms-simvastatin|Rechol|Rendapid|Simastin 20|Simcor|Simovil|Simvastatin lactone|Simvastatina|Simvastatine|Simvast|118607-03-7|98609-43-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023581
ERPathway2016 ERPathway2016_524 Simvastatin 79902-63-9 DTXSID0023581 A13 ER Pathway Model, Agonist Call Inactive Unitless CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 Simvastatin 79902-63-9|Simvastatin|(+)-Simvastatin|(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate|2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one|Apo-Simvastatin|Bestatin 20|BRN 4768037|Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester|Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-|Cholestat|Co-Simvastatin|Coledis|Colemin|Corolin|Denan|Eucor|Kolestevan|L 644128-000U|Labistatin|Lipex|Lipinorm|Liponorm|Lipovas|Lodales|MK-733|Modutrol|Nivelipol|Nor-Vastina|Novo-Simvastatin|Pepstatin|Pms-simvastatin|Rechol|Rendapid|Simastin 20|Simcor|Simovil|Simvastatin lactone|Simvastatina|Simvastatine|Simvast|118607-03-7|98609-43-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023581
ERPathway2016 ERPathway2016_524 Simvastatin 79902-63-9 DTXSID0023581 A13 ER Pathway Model, Antagonist Call Inactive Unitless CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 Simvastatin 79902-63-9|Simvastatin|(+)-Simvastatin|(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate|2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one|Apo-Simvastatin|Bestatin 20|BRN 4768037|Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester|Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1a,3a,7b,8b(2S*,4S*),8ab]]-|Cholestat|Co-Simvastatin|Coledis|Colemin|Corolin|Denan|Eucor|Kolestevan|L 644128-000U|Labistatin|Lipex|Lipinorm|Liponorm|Lipovas|Lodales|MK-733|Modutrol|Nivelipol|Nor-Vastina|Novo-Simvastatin|Pepstatin|Pms-simvastatin|Rechol|Rendapid|Simastin 20|Simcor|Simovil|Simvastatin lactone|Simvastatina|Simvastatine|Simvast|118607-03-7|98609-43-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0023581
ARPathway2016 ARPathway2016_1662 S-Metolachlor 87392-12-9 DTXSID6032431 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless CCC1=C(N([C@@H](C)COC)C(=O)CCl)C(C)=CC=C1 S-Metolachlor 87392-12-9|S-Metolachlor|(S)-2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl) acetamide|(S)-metolachlor|CGA 77102|CGA 77102|CGA-77102|S-CGA-24705|UNII-1O4NMK7I6H https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032431
ARPathway2016 ARPathway2016_1662 S-Metolachlor 87392-12-9 DTXSID6032431 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless CCC1=C(N([C@@H](C)COC)C(=O)CCl)C(C)=CC=C1 S-Metolachlor 87392-12-9|S-Metolachlor|(S)-2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl) acetamide|(S)-metolachlor|CGA 77102|CGA 77102|CGA-77102|S-CGA-24705|UNII-1O4NMK7I6H https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032431
ARPathway2016 ARPathway2016_1662 S-Metolachlor 87392-12-9 DTXSID6032431 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Inactive Unitless CCC1=C(N([C@@H](C)COC)C(=O)CCl)C(C)=CC=C1 S-Metolachlor 87392-12-9|S-Metolachlor|(S)-2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl) acetamide|(S)-metolachlor|CGA 77102|CGA 77102|CGA-77102|S-CGA-24705|UNII-1O4NMK7I6H https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032431
ARPathway2016 ARPathway2016_1662 S-Metolachlor 87392-12-9 DTXSID6032431 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless CCC1=C(N([C@@H](C)COC)C(=O)CCl)C(C)=CC=C1 S-Metolachlor 87392-12-9|S-Metolachlor|(S)-2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl) acetamide|(S)-metolachlor|CGA 77102|CGA 77102|CGA-77102|S-CGA-24705|UNII-1O4NMK7I6H https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032431
ERPathway2016 ERPathway2016_849 S-Metolachlor 87392-12-9 DTXSID6032431 A12 ER Pathway Model, Agonist Model Score 0 Unitless CCC1=C(N([C@@H](C)COC)C(=O)CCl)C(C)=CC=C1 S-Metolachlor 87392-12-9|S-Metolachlor|(S)-2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl) acetamide|(S)-metolachlor|CGA 77102|CGA 77102|CGA-77102|S-CGA-24705|UNII-1O4NMK7I6H https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032431
ERPathway2016 ERPathway2016_849 S-Metolachlor 87392-12-9 DTXSID6032431 A12 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=C(N([C@@H](C)COC)C(=O)CCl)C(C)=CC=C1 S-Metolachlor 87392-12-9|S-Metolachlor|(S)-2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl) acetamide|(S)-metolachlor|CGA 77102|CGA 77102|CGA-77102|S-CGA-24705|UNII-1O4NMK7I6H https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032431
ERPathway2016 ERPathway2016_849 S-Metolachlor 87392-12-9 DTXSID6032431 A12 ER Pathway Model, Agonist Call Inactive Unitless CCC1=C(N([C@@H](C)COC)C(=O)CCl)C(C)=CC=C1 S-Metolachlor 87392-12-9|S-Metolachlor|(S)-2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl) acetamide|(S)-metolachlor|CGA 77102|CGA 77102|CGA-77102|S-CGA-24705|UNII-1O4NMK7I6H https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032431
ERPathway2016 ERPathway2016_849 S-Metolachlor 87392-12-9 DTXSID6032431 A12 ER Pathway Model, Antagonist Call Inactive Unitless CCC1=C(N([C@@H](C)COC)C(=O)CCl)C(C)=CC=C1 S-Metolachlor 87392-12-9|S-Metolachlor|(S)-2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl) acetamide|(S)-metolachlor|CGA 77102|CGA 77102|CGA-77102|S-CGA-24705|UNII-1O4NMK7I6H https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032431
ARPathway2016 ARPathway2016_1182 Sodium (2-pyridylthio)-N-oxide 3811-73-2 DTXSID3042390 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Model Score 0.001 Unitless [Na+].[O-][N+]1=C([S-])C=CC=C1 Sodium (2-pyridylthio)-N-oxide 3811-73-2|Sodium (2-pyridylthio)-N-oxide|(1-Hydroxy-2-pyridinethione), sodium salt|(1-Hydroxy-2-pyridinethione), sodium salt, tech.|1-Oxo-2-pyridinethiol sodium salt|2-Mercaptopyridine 1-oxide sodium salt|2-Mercaptopyridine N-oxide sodium salt|2-Mercaptopyridine oxide sodium salt|2-Mercaptopyridine-N-oxide sodium salt|2-Pyridinethiol N-oxide sodium salt|2-Pyridinethiol-1-oxide sodium salt|EINECS 223-296-5|NSC 4483|Omadine sodium|Sodium 2-mercaptopyridine 1-oxide|Sodium 2-pyridinethiol 1-oxide|Sodium 2-pyridinethiol N-oxide|Sodium 2-pyridinethiolate 1-oxide|Sodium, (2-pyridinylthio)-, N-oxide|5412-36-2|75164-71-5|878632-79-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042390
ARPathway2016 ARPathway2016_1182 Sodium (2-pyridylthio)-N-oxide 3811-73-2 DTXSID3042390 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-][N+]1=C([S-])C=CC=C1 Sodium (2-pyridylthio)-N-oxide 3811-73-2|Sodium (2-pyridylthio)-N-oxide|(1-Hydroxy-2-pyridinethione), sodium salt|(1-Hydroxy-2-pyridinethione), sodium salt, tech.|1-Oxo-2-pyridinethiol sodium salt|2-Mercaptopyridine 1-oxide sodium salt|2-Mercaptopyridine N-oxide sodium salt|2-Mercaptopyridine oxide sodium salt|2-Mercaptopyridine-N-oxide sodium salt|2-Pyridinethiol N-oxide sodium salt|2-Pyridinethiol-1-oxide sodium salt|EINECS 223-296-5|NSC 4483|Omadine sodium|Sodium 2-mercaptopyridine 1-oxide|Sodium 2-pyridinethiol 1-oxide|Sodium 2-pyridinethiol N-oxide|Sodium 2-pyridinethiolate 1-oxide|Sodium, (2-pyridinylthio)-, N-oxide|5412-36-2|75164-71-5|878632-79-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042390
ARPathway2016 ARPathway2016_1182 Sodium (2-pyridylthio)-N-oxide 3811-73-2 DTXSID3042390 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[O-][N+]1=C([S-])C=CC=C1 Sodium (2-pyridylthio)-N-oxide 3811-73-2|Sodium (2-pyridylthio)-N-oxide|(1-Hydroxy-2-pyridinethione), sodium salt|(1-Hydroxy-2-pyridinethione), sodium salt, tech.|1-Oxo-2-pyridinethiol sodium salt|2-Mercaptopyridine 1-oxide sodium salt|2-Mercaptopyridine N-oxide sodium salt|2-Mercaptopyridine oxide sodium salt|2-Mercaptopyridine-N-oxide sodium salt|2-Pyridinethiol N-oxide sodium salt|2-Pyridinethiol-1-oxide sodium salt|EINECS 223-296-5|NSC 4483|Omadine sodium|Sodium 2-mercaptopyridine 1-oxide|Sodium 2-pyridinethiol 1-oxide|Sodium 2-pyridinethiol N-oxide|Sodium 2-pyridinethiolate 1-oxide|Sodium, (2-pyridinylthio)-, N-oxide|5412-36-2|75164-71-5|878632-79-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042390
ARPathway2016 ARPathway2016_1182 Sodium (2-pyridylthio)-N-oxide 3811-73-2 DTXSID3042390 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-][N+]1=C([S-])C=CC=C1 Sodium (2-pyridylthio)-N-oxide 3811-73-2|Sodium (2-pyridylthio)-N-oxide|(1-Hydroxy-2-pyridinethione), sodium salt|(1-Hydroxy-2-pyridinethione), sodium salt, tech.|1-Oxo-2-pyridinethiol sodium salt|2-Mercaptopyridine 1-oxide sodium salt|2-Mercaptopyridine N-oxide sodium salt|2-Mercaptopyridine oxide sodium salt|2-Mercaptopyridine-N-oxide sodium salt|2-Pyridinethiol N-oxide sodium salt|2-Pyridinethiol-1-oxide sodium salt|EINECS 223-296-5|NSC 4483|Omadine sodium|Sodium 2-mercaptopyridine 1-oxide|Sodium 2-pyridinethiol 1-oxide|Sodium 2-pyridinethiol N-oxide|Sodium 2-pyridinethiolate 1-oxide|Sodium, (2-pyridinylthio)-, N-oxide|5412-36-2|75164-71-5|878632-79-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042390
ERPathway2016 ERPathway2016_138 Sodium (2-pyridylthio)-N-oxide 3811-73-2 DTXSID3042390 ER Pathway Model, Agonist AC50 12.7840469261165 uM [Na+].[O-][N+]1=C([S-])C=CC=C1 Sodium (2-pyridylthio)-N-oxide 3811-73-2|Sodium (2-pyridylthio)-N-oxide|(1-Hydroxy-2-pyridinethione), sodium salt|(1-Hydroxy-2-pyridinethione), sodium salt, tech.|1-Oxo-2-pyridinethiol sodium salt|2-Mercaptopyridine 1-oxide sodium salt|2-Mercaptopyridine N-oxide sodium salt|2-Mercaptopyridine oxide sodium salt|2-Mercaptopyridine-N-oxide sodium salt|2-Pyridinethiol N-oxide sodium salt|2-Pyridinethiol-1-oxide sodium salt|EINECS 223-296-5|NSC 4483|Omadine sodium|Sodium 2-mercaptopyridine 1-oxide|Sodium 2-pyridinethiol 1-oxide|Sodium 2-pyridinethiol N-oxide|Sodium 2-pyridinethiolate 1-oxide|Sodium, (2-pyridinylthio)-, N-oxide|5412-36-2|75164-71-5|878632-79-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042390
ERPathway2016 ERPathway2016_138 Sodium (2-pyridylthio)-N-oxide 3811-73-2 DTXSID3042390 ER Pathway Model, Agonist ACC 13.9435901122095 uM [Na+].[O-][N+]1=C([S-])C=CC=C1 Sodium (2-pyridylthio)-N-oxide 3811-73-2|Sodium (2-pyridylthio)-N-oxide|(1-Hydroxy-2-pyridinethione), sodium salt|(1-Hydroxy-2-pyridinethione), sodium salt, tech.|1-Oxo-2-pyridinethiol sodium salt|2-Mercaptopyridine 1-oxide sodium salt|2-Mercaptopyridine N-oxide sodium salt|2-Mercaptopyridine oxide sodium salt|2-Mercaptopyridine-N-oxide sodium salt|2-Pyridinethiol N-oxide sodium salt|2-Pyridinethiol-1-oxide sodium salt|EINECS 223-296-5|NSC 4483|Omadine sodium|Sodium 2-mercaptopyridine 1-oxide|Sodium 2-pyridinethiol 1-oxide|Sodium 2-pyridinethiol N-oxide|Sodium 2-pyridinethiolate 1-oxide|Sodium, (2-pyridinylthio)-, N-oxide|5412-36-2|75164-71-5|878632-79-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042390
ERPathway2016 ERPathway2016_138 Sodium (2-pyridylthio)-N-oxide 3811-73-2 DTXSID3042390 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-][N+]1=C([S-])C=CC=C1 Sodium (2-pyridylthio)-N-oxide 3811-73-2|Sodium (2-pyridylthio)-N-oxide|(1-Hydroxy-2-pyridinethione), sodium salt|(1-Hydroxy-2-pyridinethione), sodium salt, tech.|1-Oxo-2-pyridinethiol sodium salt|2-Mercaptopyridine 1-oxide sodium salt|2-Mercaptopyridine N-oxide sodium salt|2-Mercaptopyridine oxide sodium salt|2-Mercaptopyridine-N-oxide sodium salt|2-Pyridinethiol N-oxide sodium salt|2-Pyridinethiol-1-oxide sodium salt|EINECS 223-296-5|NSC 4483|Omadine sodium|Sodium 2-mercaptopyridine 1-oxide|Sodium 2-pyridinethiol 1-oxide|Sodium 2-pyridinethiol N-oxide|Sodium 2-pyridinethiolate 1-oxide|Sodium, (2-pyridinylthio)-, N-oxide|5412-36-2|75164-71-5|878632-79-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042390
ERPathway2016 ERPathway2016_138 Sodium (2-pyridylthio)-N-oxide 3811-73-2 DTXSID3042390 ER Pathway Model, Antagonist Model Score 0.00872 Unitless [Na+].[O-][N+]1=C([S-])C=CC=C1 Sodium (2-pyridylthio)-N-oxide 3811-73-2|Sodium (2-pyridylthio)-N-oxide|(1-Hydroxy-2-pyridinethione), sodium salt|(1-Hydroxy-2-pyridinethione), sodium salt, tech.|1-Oxo-2-pyridinethiol sodium salt|2-Mercaptopyridine 1-oxide sodium salt|2-Mercaptopyridine N-oxide sodium salt|2-Mercaptopyridine oxide sodium salt|2-Mercaptopyridine-N-oxide sodium salt|2-Pyridinethiol N-oxide sodium salt|2-Pyridinethiol-1-oxide sodium salt|EINECS 223-296-5|NSC 4483|Omadine sodium|Sodium 2-mercaptopyridine 1-oxide|Sodium 2-pyridinethiol 1-oxide|Sodium 2-pyridinethiol N-oxide|Sodium 2-pyridinethiolate 1-oxide|Sodium, (2-pyridinylthio)-, N-oxide|5412-36-2|75164-71-5|878632-79-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042390
ERPathway2016 ERPathway2016_138 Sodium (2-pyridylthio)-N-oxide 3811-73-2 DTXSID3042390 ER Pathway Model, Agonist Call Active Unitless [Na+].[O-][N+]1=C([S-])C=CC=C1 Sodium (2-pyridylthio)-N-oxide 3811-73-2|Sodium (2-pyridylthio)-N-oxide|(1-Hydroxy-2-pyridinethione), sodium salt|(1-Hydroxy-2-pyridinethione), sodium salt, tech.|1-Oxo-2-pyridinethiol sodium salt|2-Mercaptopyridine 1-oxide sodium salt|2-Mercaptopyridine N-oxide sodium salt|2-Mercaptopyridine oxide sodium salt|2-Mercaptopyridine-N-oxide sodium salt|2-Pyridinethiol N-oxide sodium salt|2-Pyridinethiol-1-oxide sodium salt|EINECS 223-296-5|NSC 4483|Omadine sodium|Sodium 2-mercaptopyridine 1-oxide|Sodium 2-pyridinethiol 1-oxide|Sodium 2-pyridinethiol N-oxide|Sodium 2-pyridinethiolate 1-oxide|Sodium, (2-pyridinylthio)-, N-oxide|5412-36-2|75164-71-5|878632-79-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042390
ERPathway2016 ERPathway2016_138 Sodium (2-pyridylthio)-N-oxide 3811-73-2 DTXSID3042390 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-][N+]1=C([S-])C=CC=C1 Sodium (2-pyridylthio)-N-oxide 3811-73-2|Sodium (2-pyridylthio)-N-oxide|(1-Hydroxy-2-pyridinethione), sodium salt|(1-Hydroxy-2-pyridinethione), sodium salt, tech.|1-Oxo-2-pyridinethiol sodium salt|2-Mercaptopyridine 1-oxide sodium salt|2-Mercaptopyridine N-oxide sodium salt|2-Mercaptopyridine oxide sodium salt|2-Mercaptopyridine-N-oxide sodium salt|2-Pyridinethiol N-oxide sodium salt|2-Pyridinethiol-1-oxide sodium salt|EINECS 223-296-5|NSC 4483|Omadine sodium|Sodium 2-mercaptopyridine 1-oxide|Sodium 2-pyridinethiol 1-oxide|Sodium 2-pyridinethiol N-oxide|Sodium 2-pyridinethiolate 1-oxide|Sodium, (2-pyridinylthio)-, N-oxide|5412-36-2|75164-71-5|878632-79-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042390
ARPathway2016 ARPathway2016_757 Sodium 1,4-diisobutyl sulfosuccinate 127-39-9 DTXSID7029164 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CC(C)COC(=O)CC(C(=O)OCC(C)C)S([O-])(=O)=O Sodium 1,4-diisobutyl sulfosuccinate 127-39-9|Sodium 1,4-diisobutyl sulfosuccinate|1,4-Bis(2-methylpropyl)sulfobutanyedioate, sodium salt|Butanedioic acid, 2-sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt (1:1)|Butanedioic acid, sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt|EINECS 204-839-5|Succinic acid, sulfo-, 1,4-diisobutyl ester, sodium salt|UNII-B51N789L6J https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029164
ARPathway2016 ARPathway2016_757 Sodium 1,4-diisobutyl sulfosuccinate 127-39-9 DTXSID7029164 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CC(C)COC(=O)CC(C(=O)OCC(C)C)S([O-])(=O)=O Sodium 1,4-diisobutyl sulfosuccinate 127-39-9|Sodium 1,4-diisobutyl sulfosuccinate|1,4-Bis(2-methylpropyl)sulfobutanyedioate, sodium salt|Butanedioic acid, 2-sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt (1:1)|Butanedioic acid, sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt|EINECS 204-839-5|Succinic acid, sulfo-, 1,4-diisobutyl ester, sodium salt|UNII-B51N789L6J https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029164
ARPathway2016 ARPathway2016_757 Sodium 1,4-diisobutyl sulfosuccinate 127-39-9 DTXSID7029164 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC(C)COC(=O)CC(C(=O)OCC(C)C)S([O-])(=O)=O Sodium 1,4-diisobutyl sulfosuccinate 127-39-9|Sodium 1,4-diisobutyl sulfosuccinate|1,4-Bis(2-methylpropyl)sulfobutanyedioate, sodium salt|Butanedioic acid, 2-sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt (1:1)|Butanedioic acid, sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt|EINECS 204-839-5|Succinic acid, sulfo-, 1,4-diisobutyl ester, sodium salt|UNII-B51N789L6J https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029164
ARPathway2016 ARPathway2016_757 Sodium 1,4-diisobutyl sulfosuccinate 127-39-9 DTXSID7029164 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CC(C)COC(=O)CC(C(=O)OCC(C)C)S([O-])(=O)=O Sodium 1,4-diisobutyl sulfosuccinate 127-39-9|Sodium 1,4-diisobutyl sulfosuccinate|1,4-Bis(2-methylpropyl)sulfobutanyedioate, sodium salt|Butanedioic acid, 2-sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt (1:1)|Butanedioic acid, sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt|EINECS 204-839-5|Succinic acid, sulfo-, 1,4-diisobutyl ester, sodium salt|UNII-B51N789L6J https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029164
ERPathway2016 ERPathway2016_1262 Sodium 1,4-diisobutyl sulfosuccinate 127-39-9 DTXSID7029164 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CC(C)COC(=O)CC(C(=O)OCC(C)C)S([O-])(=O)=O Sodium 1,4-diisobutyl sulfosuccinate 127-39-9|Sodium 1,4-diisobutyl sulfosuccinate|1,4-Bis(2-methylpropyl)sulfobutanyedioate, sodium salt|Butanedioic acid, 2-sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt (1:1)|Butanedioic acid, sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt|EINECS 204-839-5|Succinic acid, sulfo-, 1,4-diisobutyl ester, sodium salt|UNII-B51N789L6J https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029164
ERPathway2016 ERPathway2016_1262 Sodium 1,4-diisobutyl sulfosuccinate 127-39-9 DTXSID7029164 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC(C)COC(=O)CC(C(=O)OCC(C)C)S([O-])(=O)=O Sodium 1,4-diisobutyl sulfosuccinate 127-39-9|Sodium 1,4-diisobutyl sulfosuccinate|1,4-Bis(2-methylpropyl)sulfobutanyedioate, sodium salt|Butanedioic acid, 2-sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt (1:1)|Butanedioic acid, sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt|EINECS 204-839-5|Succinic acid, sulfo-, 1,4-diisobutyl ester, sodium salt|UNII-B51N789L6J https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029164
ERPathway2016 ERPathway2016_1262 Sodium 1,4-diisobutyl sulfosuccinate 127-39-9 DTXSID7029164 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CC(C)COC(=O)CC(C(=O)OCC(C)C)S([O-])(=O)=O Sodium 1,4-diisobutyl sulfosuccinate 127-39-9|Sodium 1,4-diisobutyl sulfosuccinate|1,4-Bis(2-methylpropyl)sulfobutanyedioate, sodium salt|Butanedioic acid, 2-sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt (1:1)|Butanedioic acid, sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt|EINECS 204-839-5|Succinic acid, sulfo-, 1,4-diisobutyl ester, sodium salt|UNII-B51N789L6J https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029164
ERPathway2016 ERPathway2016_1262 Sodium 1,4-diisobutyl sulfosuccinate 127-39-9 DTXSID7029164 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CC(C)COC(=O)CC(C(=O)OCC(C)C)S([O-])(=O)=O Sodium 1,4-diisobutyl sulfosuccinate 127-39-9|Sodium 1,4-diisobutyl sulfosuccinate|1,4-Bis(2-methylpropyl)sulfobutanyedioate, sodium salt|Butanedioic acid, 2-sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt (1:1)|Butanedioic acid, sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt|EINECS 204-839-5|Succinic acid, sulfo-, 1,4-diisobutyl ester, sodium salt|UNII-B51N789L6J https://comptox.epa.gov/dashboard/chemical/details/DTXSID7029164
ARPathway2016 ARPathway2016_771 Sodium 1-naphthalenesulfonate 130-14-3 DTXSID3042394 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]S(=O)(=O)C1=CC=CC2=C1C=CC=C2 Sodium 1-naphthalenesulfonate 130-14-3|Sodium 1-naphthalenesulfonate|alpha salt|alpha-Naphthalenesulfonic acid sodium salt|EINECS 204-976-0|NSC 37036|Sodium alpha-naphthalenesulfonate|Sodium alpha-naphthalenesulfonic acid|Sodium alpha-naphthylsulfonate|UNII-MAI7V3C3PN|1081846-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042394
ARPathway2016 ARPathway2016_771 Sodium 1-naphthalenesulfonate 130-14-3 DTXSID3042394 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]S(=O)(=O)C1=CC=CC2=C1C=CC=C2 Sodium 1-naphthalenesulfonate 130-14-3|Sodium 1-naphthalenesulfonate|alpha salt|alpha-Naphthalenesulfonic acid sodium salt|EINECS 204-976-0|NSC 37036|Sodium alpha-naphthalenesulfonate|Sodium alpha-naphthalenesulfonic acid|Sodium alpha-naphthylsulfonate|UNII-MAI7V3C3PN|1081846-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042394
ARPathway2016 ARPathway2016_771 Sodium 1-naphthalenesulfonate 130-14-3 DTXSID3042394 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]S(=O)(=O)C1=CC=CC2=C1C=CC=C2 Sodium 1-naphthalenesulfonate 130-14-3|Sodium 1-naphthalenesulfonate|alpha salt|alpha-Naphthalenesulfonic acid sodium salt|EINECS 204-976-0|NSC 37036|Sodium alpha-naphthalenesulfonate|Sodium alpha-naphthalenesulfonic acid|Sodium alpha-naphthylsulfonate|UNII-MAI7V3C3PN|1081846-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042394
ARPathway2016 ARPathway2016_771 Sodium 1-naphthalenesulfonate 130-14-3 DTXSID3042394 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]S(=O)(=O)C1=CC=CC2=C1C=CC=C2 Sodium 1-naphthalenesulfonate 130-14-3|Sodium 1-naphthalenesulfonate|alpha salt|alpha-Naphthalenesulfonic acid sodium salt|EINECS 204-976-0|NSC 37036|Sodium alpha-naphthalenesulfonate|Sodium alpha-naphthalenesulfonic acid|Sodium alpha-naphthylsulfonate|UNII-MAI7V3C3PN|1081846-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042394
ERPathway2016 ERPathway2016_1269 Sodium 1-naphthalenesulfonate 130-14-3 DTXSID3042394 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]S(=O)(=O)C1=CC=CC2=C1C=CC=C2 Sodium 1-naphthalenesulfonate 130-14-3|Sodium 1-naphthalenesulfonate|alpha salt|alpha-Naphthalenesulfonic acid sodium salt|EINECS 204-976-0|NSC 37036|Sodium alpha-naphthalenesulfonate|Sodium alpha-naphthalenesulfonic acid|Sodium alpha-naphthylsulfonate|UNII-MAI7V3C3PN|1081846-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042394
ERPathway2016 ERPathway2016_1269 Sodium 1-naphthalenesulfonate 130-14-3 DTXSID3042394 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]S(=O)(=O)C1=CC=CC2=C1C=CC=C2 Sodium 1-naphthalenesulfonate 130-14-3|Sodium 1-naphthalenesulfonate|alpha salt|alpha-Naphthalenesulfonic acid sodium salt|EINECS 204-976-0|NSC 37036|Sodium alpha-naphthalenesulfonate|Sodium alpha-naphthalenesulfonic acid|Sodium alpha-naphthylsulfonate|UNII-MAI7V3C3PN|1081846-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042394
ERPathway2016 ERPathway2016_1269 Sodium 1-naphthalenesulfonate 130-14-3 DTXSID3042394 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]S(=O)(=O)C1=CC=CC2=C1C=CC=C2 Sodium 1-naphthalenesulfonate 130-14-3|Sodium 1-naphthalenesulfonate|alpha salt|alpha-Naphthalenesulfonic acid sodium salt|EINECS 204-976-0|NSC 37036|Sodium alpha-naphthalenesulfonate|Sodium alpha-naphthalenesulfonic acid|Sodium alpha-naphthylsulfonate|UNII-MAI7V3C3PN|1081846-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042394
ERPathway2016 ERPathway2016_1269 Sodium 1-naphthalenesulfonate 130-14-3 DTXSID3042394 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]S(=O)(=O)C1=CC=CC2=C1C=CC=C2 Sodium 1-naphthalenesulfonate 130-14-3|Sodium 1-naphthalenesulfonate|alpha salt|alpha-Naphthalenesulfonic acid sodium salt|EINECS 204-976-0|NSC 37036|Sodium alpha-naphthalenesulfonate|Sodium alpha-naphthalenesulfonic acid|Sodium alpha-naphthylsulfonate|UNII-MAI7V3C3PN|1081846-88-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042394
ARPathway2016 ARPathway2016_1627 Sodium 2,5-dimethylbenzenesulfonate 827-19-0 DTXSID5044578 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC1=CC=C(C)C(=C1)S([O-])(=O)=O Sodium 2,5-dimethylbenzenesulfonate 827-19-0|Sodium 2,5-dimethylbenzenesulfonate|Benzenesulfonic acid, 2,5-dimethyl-, sodium salt|EINECS 212-566-8|UNII-O34Z1LTN62|108638-78-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044578
ARPathway2016 ARPathway2016_1627 Sodium 2,5-dimethylbenzenesulfonate 827-19-0 DTXSID5044578 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CC1=CC=C(C)C(=C1)S([O-])(=O)=O Sodium 2,5-dimethylbenzenesulfonate 827-19-0|Sodium 2,5-dimethylbenzenesulfonate|Benzenesulfonic acid, 2,5-dimethyl-, sodium salt|EINECS 212-566-8|UNII-O34Z1LTN62|108638-78-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044578
ARPathway2016 ARPathway2016_1627 Sodium 2,5-dimethylbenzenesulfonate 827-19-0 DTXSID5044578 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CC1=CC=C(C)C(=C1)S([O-])(=O)=O Sodium 2,5-dimethylbenzenesulfonate 827-19-0|Sodium 2,5-dimethylbenzenesulfonate|Benzenesulfonic acid, 2,5-dimethyl-, sodium salt|EINECS 212-566-8|UNII-O34Z1LTN62|108638-78-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044578
ARPathway2016 ARPathway2016_1627 Sodium 2,5-dimethylbenzenesulfonate 827-19-0 DTXSID5044578 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CC1=CC=C(C)C(=C1)S([O-])(=O)=O Sodium 2,5-dimethylbenzenesulfonate 827-19-0|Sodium 2,5-dimethylbenzenesulfonate|Benzenesulfonic acid, 2,5-dimethyl-, sodium salt|EINECS 212-566-8|UNII-O34Z1LTN62|108638-78-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044578
ERPathway2016 ERPathway2016_498 Sodium 2,5-dimethylbenzenesulfonate 827-19-0 DTXSID5044578 R7 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CC1=CC=C(C)C(=C1)S([O-])(=O)=O Sodium 2,5-dimethylbenzenesulfonate 827-19-0|Sodium 2,5-dimethylbenzenesulfonate|Benzenesulfonic acid, 2,5-dimethyl-, sodium salt|EINECS 212-566-8|UNII-O34Z1LTN62|108638-78-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044578
ERPathway2016 ERPathway2016_498 Sodium 2,5-dimethylbenzenesulfonate 827-19-0 DTXSID5044578 R7 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC1=CC=C(C)C(=C1)S([O-])(=O)=O Sodium 2,5-dimethylbenzenesulfonate 827-19-0|Sodium 2,5-dimethylbenzenesulfonate|Benzenesulfonic acid, 2,5-dimethyl-, sodium salt|EINECS 212-566-8|UNII-O34Z1LTN62|108638-78-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044578
ERPathway2016 ERPathway2016_498 Sodium 2,5-dimethylbenzenesulfonate 827-19-0 DTXSID5044578 R7 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CC1=CC=C(C)C(=C1)S([O-])(=O)=O Sodium 2,5-dimethylbenzenesulfonate 827-19-0|Sodium 2,5-dimethylbenzenesulfonate|Benzenesulfonic acid, 2,5-dimethyl-, sodium salt|EINECS 212-566-8|UNII-O34Z1LTN62|108638-78-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044578
ERPathway2016 ERPathway2016_498 Sodium 2,5-dimethylbenzenesulfonate 827-19-0 DTXSID5044578 R7 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CC1=CC=C(C)C(=C1)S([O-])(=O)=O Sodium 2,5-dimethylbenzenesulfonate 827-19-0|Sodium 2,5-dimethylbenzenesulfonate|Benzenesulfonic acid, 2,5-dimethyl-, sodium salt|EINECS 212-566-8|UNII-O34Z1LTN62|108638-78-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5044578
ARPathway2016 ARPathway2016_404 Sodium 2-formylbenzenesulfonate 1008-72-6 DTXSID5041643 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O Sodium 2-formylbenzenesulfonate 1008-72-6|Sodium 2-formylbenzenesulfonate|2-Formylbenzenesulfonic acid sodium salt|2-Sulfobenzaldehyde, sodium salt|Benzaldehyde-o-sulfonic acid sodium salt|Benzenesulfonic acid, 2-formyl-, sodium salt (1:1)|EINECS 213-758-4|NSC 4868|o-Formylbenzenesulfonic acid sodium salt|Sodium benzaldehyde-2-sulfonate|Sodium o-benzaldehyde sulfonate|Sodium o-formylbenzenesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041643
ARPathway2016 ARPathway2016_404 Sodium 2-formylbenzenesulfonate 1008-72-6 DTXSID5041643 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O Sodium 2-formylbenzenesulfonate 1008-72-6|Sodium 2-formylbenzenesulfonate|2-Formylbenzenesulfonic acid sodium salt|2-Sulfobenzaldehyde, sodium salt|Benzaldehyde-o-sulfonic acid sodium salt|Benzenesulfonic acid, 2-formyl-, sodium salt (1:1)|EINECS 213-758-4|NSC 4868|o-Formylbenzenesulfonic acid sodium salt|Sodium benzaldehyde-2-sulfonate|Sodium o-benzaldehyde sulfonate|Sodium o-formylbenzenesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041643
ARPathway2016 ARPathway2016_404 Sodium 2-formylbenzenesulfonate 1008-72-6 DTXSID5041643 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O Sodium 2-formylbenzenesulfonate 1008-72-6|Sodium 2-formylbenzenesulfonate|2-Formylbenzenesulfonic acid sodium salt|2-Sulfobenzaldehyde, sodium salt|Benzaldehyde-o-sulfonic acid sodium salt|Benzenesulfonic acid, 2-formyl-, sodium salt (1:1)|EINECS 213-758-4|NSC 4868|o-Formylbenzenesulfonic acid sodium salt|Sodium benzaldehyde-2-sulfonate|Sodium o-benzaldehyde sulfonate|Sodium o-formylbenzenesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041643
ARPathway2016 ARPathway2016_404 Sodium 2-formylbenzenesulfonate 1008-72-6 DTXSID5041643 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O Sodium 2-formylbenzenesulfonate 1008-72-6|Sodium 2-formylbenzenesulfonate|2-Formylbenzenesulfonic acid sodium salt|2-Sulfobenzaldehyde, sodium salt|Benzaldehyde-o-sulfonic acid sodium salt|Benzenesulfonic acid, 2-formyl-, sodium salt (1:1)|EINECS 213-758-4|NSC 4868|o-Formylbenzenesulfonic acid sodium salt|Sodium benzaldehyde-2-sulfonate|Sodium o-benzaldehyde sulfonate|Sodium o-formylbenzenesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041643
ERPathway2016 ERPathway2016_1059 Sodium 2-formylbenzenesulfonate 1008-72-6 DTXSID5041643 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O Sodium 2-formylbenzenesulfonate 1008-72-6|Sodium 2-formylbenzenesulfonate|2-Formylbenzenesulfonic acid sodium salt|2-Sulfobenzaldehyde, sodium salt|Benzaldehyde-o-sulfonic acid sodium salt|Benzenesulfonic acid, 2-formyl-, sodium salt (1:1)|EINECS 213-758-4|NSC 4868|o-Formylbenzenesulfonic acid sodium salt|Sodium benzaldehyde-2-sulfonate|Sodium o-benzaldehyde sulfonate|Sodium o-formylbenzenesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041643
ERPathway2016 ERPathway2016_1059 Sodium 2-formylbenzenesulfonate 1008-72-6 DTXSID5041643 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O Sodium 2-formylbenzenesulfonate 1008-72-6|Sodium 2-formylbenzenesulfonate|2-Formylbenzenesulfonic acid sodium salt|2-Sulfobenzaldehyde, sodium salt|Benzaldehyde-o-sulfonic acid sodium salt|Benzenesulfonic acid, 2-formyl-, sodium salt (1:1)|EINECS 213-758-4|NSC 4868|o-Formylbenzenesulfonic acid sodium salt|Sodium benzaldehyde-2-sulfonate|Sodium o-benzaldehyde sulfonate|Sodium o-formylbenzenesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041643
ERPathway2016 ERPathway2016_1059 Sodium 2-formylbenzenesulfonate 1008-72-6 DTXSID5041643 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O Sodium 2-formylbenzenesulfonate 1008-72-6|Sodium 2-formylbenzenesulfonate|2-Formylbenzenesulfonic acid sodium salt|2-Sulfobenzaldehyde, sodium salt|Benzaldehyde-o-sulfonic acid sodium salt|Benzenesulfonic acid, 2-formyl-, sodium salt (1:1)|EINECS 213-758-4|NSC 4868|o-Formylbenzenesulfonic acid sodium salt|Sodium benzaldehyde-2-sulfonate|Sodium o-benzaldehyde sulfonate|Sodium o-formylbenzenesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041643
ERPathway2016 ERPathway2016_1059 Sodium 2-formylbenzenesulfonate 1008-72-6 DTXSID5041643 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O Sodium 2-formylbenzenesulfonate 1008-72-6|Sodium 2-formylbenzenesulfonate|2-Formylbenzenesulfonic acid sodium salt|2-Sulfobenzaldehyde, sodium salt|Benzaldehyde-o-sulfonic acid sodium salt|Benzenesulfonic acid, 2-formyl-, sodium salt (1:1)|EINECS 213-758-4|NSC 4868|o-Formylbenzenesulfonic acid sodium salt|Sodium benzaldehyde-2-sulfonate|Sodium o-benzaldehyde sulfonate|Sodium o-formylbenzenesulfonate https://comptox.epa.gov/dashboard/chemical/details/DTXSID5041643
ARPathway2016 ARPathway2016_1044 Sodium 2-mercaptobenzothiolate 2492-26-4 DTXSID1026035 0.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[S-]C1=NC2=CC=CC=C2S1 Sodium 2-mercaptobenzothiolate 2492-26-4|Sodium 2-mercaptobenzothiolate|2-Benzothiazolethiol, sodium deriv.|2-Benzothiazolethiol, sodium salt|2-Mercaptobenzothiazole, sodium|2-Mercaptobenzothiazole, sodium deriv.|2-Mercaptobenzothiazole, sodium salt|2(3H)-Benzothiazolethione, sodium salt|2(3H)-Benzothiazolethione, sodium salt (1:1)|Benzothiazolethiol, sodium salt|Caswell No. 541C|EINECS 219-660-8|Mercaptobenzothiazol, sodium salt solution|Mercaptobenzothiazole sodium salt|NSC 191935|Sodium 2-benzothiazolethioate|Sodium 2-benzothiazolethiolate|Sodium 2-mercaptobenzothiazol solution|Sodium 2-mercaptobenzothiazolate|Sodium 2(3H)-benzothiazolethionate|Sodium benzothiazol-2-yl sulphide|Sodium benzothiazolethiolate|Sodium MBT|Sodium mercaptobenzothiazole|Sodium-2-mercaptobenzothiazol solution|Sodium, (2-benzothiazolylthio)-|UNII-2K7B30DX7O|106691-70-7|1208900-17-7|1357581-00-0|26249-01-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026035 https://doi.org/10.22427/NTP-DATA-DTXSID1026035
ARPathway2016 ARPathway2016_1044 Sodium 2-mercaptobenzothiolate 2492-26-4 DTXSID1026035 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[S-]C1=NC2=CC=CC=C2S1 Sodium 2-mercaptobenzothiolate 2492-26-4|Sodium 2-mercaptobenzothiolate|2-Benzothiazolethiol, sodium deriv.|2-Benzothiazolethiol, sodium salt|2-Mercaptobenzothiazole, sodium|2-Mercaptobenzothiazole, sodium deriv.|2-Mercaptobenzothiazole, sodium salt|2(3H)-Benzothiazolethione, sodium salt|2(3H)-Benzothiazolethione, sodium salt (1:1)|Benzothiazolethiol, sodium salt|Caswell No. 541C|EINECS 219-660-8|Mercaptobenzothiazol, sodium salt solution|Mercaptobenzothiazole sodium salt|NSC 191935|Sodium 2-benzothiazolethioate|Sodium 2-benzothiazolethiolate|Sodium 2-mercaptobenzothiazol solution|Sodium 2-mercaptobenzothiazolate|Sodium 2(3H)-benzothiazolethionate|Sodium benzothiazol-2-yl sulphide|Sodium benzothiazolethiolate|Sodium MBT|Sodium mercaptobenzothiazole|Sodium-2-mercaptobenzothiazol solution|Sodium, (2-benzothiazolylthio)-|UNII-2K7B30DX7O|106691-70-7|1208900-17-7|1357581-00-0|26249-01-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026035 https://doi.org/10.22427/NTP-DATA-DTXSID1026035
ARPathway2016 ARPathway2016_1044 Sodium 2-mercaptobenzothiolate 2492-26-4 DTXSID1026035 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[S-]C1=NC2=CC=CC=C2S1 Sodium 2-mercaptobenzothiolate 2492-26-4|Sodium 2-mercaptobenzothiolate|2-Benzothiazolethiol, sodium deriv.|2-Benzothiazolethiol, sodium salt|2-Mercaptobenzothiazole, sodium|2-Mercaptobenzothiazole, sodium deriv.|2-Mercaptobenzothiazole, sodium salt|2(3H)-Benzothiazolethione, sodium salt|2(3H)-Benzothiazolethione, sodium salt (1:1)|Benzothiazolethiol, sodium salt|Caswell No. 541C|EINECS 219-660-8|Mercaptobenzothiazol, sodium salt solution|Mercaptobenzothiazole sodium salt|NSC 191935|Sodium 2-benzothiazolethioate|Sodium 2-benzothiazolethiolate|Sodium 2-mercaptobenzothiazol solution|Sodium 2-mercaptobenzothiazolate|Sodium 2(3H)-benzothiazolethionate|Sodium benzothiazol-2-yl sulphide|Sodium benzothiazolethiolate|Sodium MBT|Sodium mercaptobenzothiazole|Sodium-2-mercaptobenzothiazol solution|Sodium, (2-benzothiazolylthio)-|UNII-2K7B30DX7O|106691-70-7|1208900-17-7|1357581-00-0|26249-01-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026035 https://doi.org/10.22427/NTP-DATA-DTXSID1026035
ARPathway2016 ARPathway2016_1044 Sodium 2-mercaptobenzothiolate 2492-26-4 DTXSID1026035 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[S-]C1=NC2=CC=CC=C2S1 Sodium 2-mercaptobenzothiolate 2492-26-4|Sodium 2-mercaptobenzothiolate|2-Benzothiazolethiol, sodium deriv.|2-Benzothiazolethiol, sodium salt|2-Mercaptobenzothiazole, sodium|2-Mercaptobenzothiazole, sodium deriv.|2-Mercaptobenzothiazole, sodium salt|2(3H)-Benzothiazolethione, sodium salt|2(3H)-Benzothiazolethione, sodium salt (1:1)|Benzothiazolethiol, sodium salt|Caswell No. 541C|EINECS 219-660-8|Mercaptobenzothiazol, sodium salt solution|Mercaptobenzothiazole sodium salt|NSC 191935|Sodium 2-benzothiazolethioate|Sodium 2-benzothiazolethiolate|Sodium 2-mercaptobenzothiazol solution|Sodium 2-mercaptobenzothiazolate|Sodium 2(3H)-benzothiazolethionate|Sodium benzothiazol-2-yl sulphide|Sodium benzothiazolethiolate|Sodium MBT|Sodium mercaptobenzothiazole|Sodium-2-mercaptobenzothiazol solution|Sodium, (2-benzothiazolylthio)-|UNII-2K7B30DX7O|106691-70-7|1208900-17-7|1357581-00-0|26249-01-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026035 https://doi.org/10.22427/NTP-DATA-DTXSID1026035
ERPathway2016 ERPathway2016_786 Sodium 2-mercaptobenzothiolate 2492-26-4 DTXSID1026035 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[S-]C1=NC2=CC=CC=C2S1 Sodium 2-mercaptobenzothiolate 2492-26-4|Sodium 2-mercaptobenzothiolate|2-Benzothiazolethiol, sodium deriv.|2-Benzothiazolethiol, sodium salt|2-Mercaptobenzothiazole, sodium|2-Mercaptobenzothiazole, sodium deriv.|2-Mercaptobenzothiazole, sodium salt|2(3H)-Benzothiazolethione, sodium salt|2(3H)-Benzothiazolethione, sodium salt (1:1)|Benzothiazolethiol, sodium salt|Caswell No. 541C|EINECS 219-660-8|Mercaptobenzothiazol, sodium salt solution|Mercaptobenzothiazole sodium salt|NSC 191935|Sodium 2-benzothiazolethioate|Sodium 2-benzothiazolethiolate|Sodium 2-mercaptobenzothiazol solution|Sodium 2-mercaptobenzothiazolate|Sodium 2(3H)-benzothiazolethionate|Sodium benzothiazol-2-yl sulphide|Sodium benzothiazolethiolate|Sodium MBT|Sodium mercaptobenzothiazole|Sodium-2-mercaptobenzothiazol solution|Sodium, (2-benzothiazolylthio)-|UNII-2K7B30DX7O|106691-70-7|1208900-17-7|1357581-00-0|26249-01-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026035 https://doi.org/10.22427/NTP-DATA-DTXSID1026035
ERPathway2016 ERPathway2016_786 Sodium 2-mercaptobenzothiolate 2492-26-4 DTXSID1026035 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[S-]C1=NC2=CC=CC=C2S1 Sodium 2-mercaptobenzothiolate 2492-26-4|Sodium 2-mercaptobenzothiolate|2-Benzothiazolethiol, sodium deriv.|2-Benzothiazolethiol, sodium salt|2-Mercaptobenzothiazole, sodium|2-Mercaptobenzothiazole, sodium deriv.|2-Mercaptobenzothiazole, sodium salt|2(3H)-Benzothiazolethione, sodium salt|2(3H)-Benzothiazolethione, sodium salt (1:1)|Benzothiazolethiol, sodium salt|Caswell No. 541C|EINECS 219-660-8|Mercaptobenzothiazol, sodium salt solution|Mercaptobenzothiazole sodium salt|NSC 191935|Sodium 2-benzothiazolethioate|Sodium 2-benzothiazolethiolate|Sodium 2-mercaptobenzothiazol solution|Sodium 2-mercaptobenzothiazolate|Sodium 2(3H)-benzothiazolethionate|Sodium benzothiazol-2-yl sulphide|Sodium benzothiazolethiolate|Sodium MBT|Sodium mercaptobenzothiazole|Sodium-2-mercaptobenzothiazol solution|Sodium, (2-benzothiazolylthio)-|UNII-2K7B30DX7O|106691-70-7|1208900-17-7|1357581-00-0|26249-01-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026035 https://doi.org/10.22427/NTP-DATA-DTXSID1026035
ERPathway2016 ERPathway2016_786 Sodium 2-mercaptobenzothiolate 2492-26-4 DTXSID1026035 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[S-]C1=NC2=CC=CC=C2S1 Sodium 2-mercaptobenzothiolate 2492-26-4|Sodium 2-mercaptobenzothiolate|2-Benzothiazolethiol, sodium deriv.|2-Benzothiazolethiol, sodium salt|2-Mercaptobenzothiazole, sodium|2-Mercaptobenzothiazole, sodium deriv.|2-Mercaptobenzothiazole, sodium salt|2(3H)-Benzothiazolethione, sodium salt|2(3H)-Benzothiazolethione, sodium salt (1:1)|Benzothiazolethiol, sodium salt|Caswell No. 541C|EINECS 219-660-8|Mercaptobenzothiazol, sodium salt solution|Mercaptobenzothiazole sodium salt|NSC 191935|Sodium 2-benzothiazolethioate|Sodium 2-benzothiazolethiolate|Sodium 2-mercaptobenzothiazol solution|Sodium 2-mercaptobenzothiazolate|Sodium 2(3H)-benzothiazolethionate|Sodium benzothiazol-2-yl sulphide|Sodium benzothiazolethiolate|Sodium MBT|Sodium mercaptobenzothiazole|Sodium-2-mercaptobenzothiazol solution|Sodium, (2-benzothiazolylthio)-|UNII-2K7B30DX7O|106691-70-7|1208900-17-7|1357581-00-0|26249-01-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026035 https://doi.org/10.22427/NTP-DATA-DTXSID1026035
ERPathway2016 ERPathway2016_786 Sodium 2-mercaptobenzothiolate 2492-26-4 DTXSID1026035 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[S-]C1=NC2=CC=CC=C2S1 Sodium 2-mercaptobenzothiolate 2492-26-4|Sodium 2-mercaptobenzothiolate|2-Benzothiazolethiol, sodium deriv.|2-Benzothiazolethiol, sodium salt|2-Mercaptobenzothiazole, sodium|2-Mercaptobenzothiazole, sodium deriv.|2-Mercaptobenzothiazole, sodium salt|2(3H)-Benzothiazolethione, sodium salt|2(3H)-Benzothiazolethione, sodium salt (1:1)|Benzothiazolethiol, sodium salt|Caswell No. 541C|EINECS 219-660-8|Mercaptobenzothiazol, sodium salt solution|Mercaptobenzothiazole sodium salt|NSC 191935|Sodium 2-benzothiazolethioate|Sodium 2-benzothiazolethiolate|Sodium 2-mercaptobenzothiazol solution|Sodium 2-mercaptobenzothiazolate|Sodium 2(3H)-benzothiazolethionate|Sodium benzothiazol-2-yl sulphide|Sodium benzothiazolethiolate|Sodium MBT|Sodium mercaptobenzothiazole|Sodium-2-mercaptobenzothiazol solution|Sodium, (2-benzothiazolylthio)-|UNII-2K7B30DX7O|106691-70-7|1208900-17-7|1357581-00-0|26249-01-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026035 https://doi.org/10.22427/NTP-DATA-DTXSID1026035
ARPathway2016 ARPathway2016_880 Sodium 2-methylbenzenesulfonate 15046-75-0 DTXSID2044553 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC1=CC=CC=C1S([O-])(=O)=O Sodium 2-methylbenzenesulfonate 15046-75-0|Sodium 2-methylbenzenesulfonate|Benzenesulfonic acid, 2-methyl-, sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044553
ARPathway2016 ARPathway2016_880 Sodium 2-methylbenzenesulfonate 15046-75-0 DTXSID2044553 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CC1=CC=CC=C1S([O-])(=O)=O Sodium 2-methylbenzenesulfonate 15046-75-0|Sodium 2-methylbenzenesulfonate|Benzenesulfonic acid, 2-methyl-, sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044553
ARPathway2016 ARPathway2016_880 Sodium 2-methylbenzenesulfonate 15046-75-0 DTXSID2044553 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CC1=CC=CC=C1S([O-])(=O)=O Sodium 2-methylbenzenesulfonate 15046-75-0|Sodium 2-methylbenzenesulfonate|Benzenesulfonic acid, 2-methyl-, sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044553
ARPathway2016 ARPathway2016_880 Sodium 2-methylbenzenesulfonate 15046-75-0 DTXSID2044553 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CC1=CC=CC=C1S([O-])(=O)=O Sodium 2-methylbenzenesulfonate 15046-75-0|Sodium 2-methylbenzenesulfonate|Benzenesulfonic acid, 2-methyl-, sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044553
ERPathway2016 ERPathway2016_1318 Sodium 2-methylbenzenesulfonate 15046-75-0 DTXSID2044553 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CC1=CC=CC=C1S([O-])(=O)=O Sodium 2-methylbenzenesulfonate 15046-75-0|Sodium 2-methylbenzenesulfonate|Benzenesulfonic acid, 2-methyl-, sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044553
ERPathway2016 ERPathway2016_1318 Sodium 2-methylbenzenesulfonate 15046-75-0 DTXSID2044553 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC1=CC=CC=C1S([O-])(=O)=O Sodium 2-methylbenzenesulfonate 15046-75-0|Sodium 2-methylbenzenesulfonate|Benzenesulfonic acid, 2-methyl-, sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044553
ERPathway2016 ERPathway2016_1318 Sodium 2-methylbenzenesulfonate 15046-75-0 DTXSID2044553 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CC1=CC=CC=C1S([O-])(=O)=O Sodium 2-methylbenzenesulfonate 15046-75-0|Sodium 2-methylbenzenesulfonate|Benzenesulfonic acid, 2-methyl-, sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044553
ERPathway2016 ERPathway2016_1318 Sodium 2-methylbenzenesulfonate 15046-75-0 DTXSID2044553 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CC1=CC=CC=C1S([O-])(=O)=O Sodium 2-methylbenzenesulfonate 15046-75-0|Sodium 2-methylbenzenesulfonate|Benzenesulfonic acid, 2-methyl-, sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID2044553
ARPathway2016 ARPathway2016_1286 Sodium 2-naphthalenesulfonate 532-02-5 DTXSID4041442 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]S(=O)(=O)C1=CC2=C(C=CC=C2)C=C1 Sodium 2-naphthalenesulfonate 532-02-5|Sodium 2-naphthalenesulfonate|2-Naphthalenesulfonic acid sodium salt|2-Naphthalenesulfonic acid, sodium salt|2- Naphthalenesulfonic acid, sodium salt (1:1)|beta-Naphthalenesulfonic sodium salt|EINECS 208-523-8|NAPHTHALENE-2-SULFONATE, SODIUM|NSC 7415|SNS (in cosmetics)|Sodium beta-naphthalenesulfonate|sodium naphthalene-2-sulfonate|Sodium naphthalene-2-sulphonate|Sodium naphthalene-6-sulfonate|Sodium salt of beta-naphthalenesulfonic acid|Sodium b-naphthalenesulfonate|Sodium-2-naphthalenesulfonate|UNII-R5F0CTD2OJ|b-Naphthalenesulfonic acid sodium salt|1159813-07-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041442
ARPathway2016 ARPathway2016_1286 Sodium 2-naphthalenesulfonate 532-02-5 DTXSID4041442 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]S(=O)(=O)C1=CC2=C(C=CC=C2)C=C1 Sodium 2-naphthalenesulfonate 532-02-5|Sodium 2-naphthalenesulfonate|2-Naphthalenesulfonic acid sodium salt|2-Naphthalenesulfonic acid, sodium salt|2- Naphthalenesulfonic acid, sodium salt (1:1)|beta-Naphthalenesulfonic sodium salt|EINECS 208-523-8|NAPHTHALENE-2-SULFONATE, SODIUM|NSC 7415|SNS (in cosmetics)|Sodium beta-naphthalenesulfonate|sodium naphthalene-2-sulfonate|Sodium naphthalene-2-sulphonate|Sodium naphthalene-6-sulfonate|Sodium salt of beta-naphthalenesulfonic acid|Sodium b-naphthalenesulfonate|Sodium-2-naphthalenesulfonate|UNII-R5F0CTD2OJ|b-Naphthalenesulfonic acid sodium salt|1159813-07-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041442
ARPathway2016 ARPathway2016_1286 Sodium 2-naphthalenesulfonate 532-02-5 DTXSID4041442 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]S(=O)(=O)C1=CC2=C(C=CC=C2)C=C1 Sodium 2-naphthalenesulfonate 532-02-5|Sodium 2-naphthalenesulfonate|2-Naphthalenesulfonic acid sodium salt|2-Naphthalenesulfonic acid, sodium salt|2- Naphthalenesulfonic acid, sodium salt (1:1)|beta-Naphthalenesulfonic sodium salt|EINECS 208-523-8|NAPHTHALENE-2-SULFONATE, SODIUM|NSC 7415|SNS (in cosmetics)|Sodium beta-naphthalenesulfonate|sodium naphthalene-2-sulfonate|Sodium naphthalene-2-sulphonate|Sodium naphthalene-6-sulfonate|Sodium salt of beta-naphthalenesulfonic acid|Sodium b-naphthalenesulfonate|Sodium-2-naphthalenesulfonate|UNII-R5F0CTD2OJ|b-Naphthalenesulfonic acid sodium salt|1159813-07-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041442
ARPathway2016 ARPathway2016_1286 Sodium 2-naphthalenesulfonate 532-02-5 DTXSID4041442 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]S(=O)(=O)C1=CC2=C(C=CC=C2)C=C1 Sodium 2-naphthalenesulfonate 532-02-5|Sodium 2-naphthalenesulfonate|2-Naphthalenesulfonic acid sodium salt|2-Naphthalenesulfonic acid, sodium salt|2- Naphthalenesulfonic acid, sodium salt (1:1)|beta-Naphthalenesulfonic sodium salt|EINECS 208-523-8|NAPHTHALENE-2-SULFONATE, SODIUM|NSC 7415|SNS (in cosmetics)|Sodium beta-naphthalenesulfonate|sodium naphthalene-2-sulfonate|Sodium naphthalene-2-sulphonate|Sodium naphthalene-6-sulfonate|Sodium salt of beta-naphthalenesulfonic acid|Sodium b-naphthalenesulfonate|Sodium-2-naphthalenesulfonate|UNII-R5F0CTD2OJ|b-Naphthalenesulfonic acid sodium salt|1159813-07-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041442
ERPathway2016 ERPathway2016_1515 Sodium 2-naphthalenesulfonate 532-02-5 DTXSID4041442 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]S(=O)(=O)C1=CC2=C(C=CC=C2)C=C1 Sodium 2-naphthalenesulfonate 532-02-5|Sodium 2-naphthalenesulfonate|2-Naphthalenesulfonic acid sodium salt|2-Naphthalenesulfonic acid, sodium salt|2- Naphthalenesulfonic acid, sodium salt (1:1)|beta-Naphthalenesulfonic sodium salt|EINECS 208-523-8|NAPHTHALENE-2-SULFONATE, SODIUM|NSC 7415|SNS (in cosmetics)|Sodium beta-naphthalenesulfonate|sodium naphthalene-2-sulfonate|Sodium naphthalene-2-sulphonate|Sodium naphthalene-6-sulfonate|Sodium salt of beta-naphthalenesulfonic acid|Sodium b-naphthalenesulfonate|Sodium-2-naphthalenesulfonate|UNII-R5F0CTD2OJ|b-Naphthalenesulfonic acid sodium salt|1159813-07-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041442
ERPathway2016 ERPathway2016_1515 Sodium 2-naphthalenesulfonate 532-02-5 DTXSID4041442 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]S(=O)(=O)C1=CC2=C(C=CC=C2)C=C1 Sodium 2-naphthalenesulfonate 532-02-5|Sodium 2-naphthalenesulfonate|2-Naphthalenesulfonic acid sodium salt|2-Naphthalenesulfonic acid, sodium salt|2- Naphthalenesulfonic acid, sodium salt (1:1)|beta-Naphthalenesulfonic sodium salt|EINECS 208-523-8|NAPHTHALENE-2-SULFONATE, SODIUM|NSC 7415|SNS (in cosmetics)|Sodium beta-naphthalenesulfonate|sodium naphthalene-2-sulfonate|Sodium naphthalene-2-sulphonate|Sodium naphthalene-6-sulfonate|Sodium salt of beta-naphthalenesulfonic acid|Sodium b-naphthalenesulfonate|Sodium-2-naphthalenesulfonate|UNII-R5F0CTD2OJ|b-Naphthalenesulfonic acid sodium salt|1159813-07-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041442
ERPathway2016 ERPathway2016_1515 Sodium 2-naphthalenesulfonate 532-02-5 DTXSID4041442 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]S(=O)(=O)C1=CC2=C(C=CC=C2)C=C1 Sodium 2-naphthalenesulfonate 532-02-5|Sodium 2-naphthalenesulfonate|2-Naphthalenesulfonic acid sodium salt|2-Naphthalenesulfonic acid, sodium salt|2- Naphthalenesulfonic acid, sodium salt (1:1)|beta-Naphthalenesulfonic sodium salt|EINECS 208-523-8|NAPHTHALENE-2-SULFONATE, SODIUM|NSC 7415|SNS (in cosmetics)|Sodium beta-naphthalenesulfonate|sodium naphthalene-2-sulfonate|Sodium naphthalene-2-sulphonate|Sodium naphthalene-6-sulfonate|Sodium salt of beta-naphthalenesulfonic acid|Sodium b-naphthalenesulfonate|Sodium-2-naphthalenesulfonate|UNII-R5F0CTD2OJ|b-Naphthalenesulfonic acid sodium salt|1159813-07-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041442
ERPathway2016 ERPathway2016_1515 Sodium 2-naphthalenesulfonate 532-02-5 DTXSID4041442 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]S(=O)(=O)C1=CC2=C(C=CC=C2)C=C1 Sodium 2-naphthalenesulfonate 532-02-5|Sodium 2-naphthalenesulfonate|2-Naphthalenesulfonic acid sodium salt|2-Naphthalenesulfonic acid, sodium salt|2- Naphthalenesulfonic acid, sodium salt (1:1)|beta-Naphthalenesulfonic sodium salt|EINECS 208-523-8|NAPHTHALENE-2-SULFONATE, SODIUM|NSC 7415|SNS (in cosmetics)|Sodium beta-naphthalenesulfonate|sodium naphthalene-2-sulfonate|Sodium naphthalene-2-sulphonate|Sodium naphthalene-6-sulfonate|Sodium salt of beta-naphthalenesulfonic acid|Sodium b-naphthalenesulfonate|Sodium-2-naphthalenesulfonate|UNII-R5F0CTD2OJ|b-Naphthalenesulfonic acid sodium salt|1159813-07-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4041442
ARPathway2016 ARPathway2016_1621 Sodium 2-nitrophenolate 824-39-5 DTXSID5035616 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C1=C(C=CC=C1)[N+]([O-])=O Sodium 2-nitrophenolate 824-39-5|Sodium 2-nitrophenolate|EINECS 212-527-5|EPA Pesticide Chemical Code 129076|o-Nitrophenol sodium salt|Phenol, 2-nitro-, sodium salt (1:1)|Sodium o-nitrophenolate|26498-36-2|89324-14-1|94413-53-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035616
ARPathway2016 ARPathway2016_1621 Sodium 2-nitrophenolate 824-39-5 DTXSID5035616 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C1=C(C=CC=C1)[N+]([O-])=O Sodium 2-nitrophenolate 824-39-5|Sodium 2-nitrophenolate|EINECS 212-527-5|EPA Pesticide Chemical Code 129076|o-Nitrophenol sodium salt|Phenol, 2-nitro-, sodium salt (1:1)|Sodium o-nitrophenolate|26498-36-2|89324-14-1|94413-53-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035616
ARPathway2016 ARPathway2016_1621 Sodium 2-nitrophenolate 824-39-5 DTXSID5035616 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C1=C(C=CC=C1)[N+]([O-])=O Sodium 2-nitrophenolate 824-39-5|Sodium 2-nitrophenolate|EINECS 212-527-5|EPA Pesticide Chemical Code 129076|o-Nitrophenol sodium salt|Phenol, 2-nitro-, sodium salt (1:1)|Sodium o-nitrophenolate|26498-36-2|89324-14-1|94413-53-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035616
ARPathway2016 ARPathway2016_1621 Sodium 2-nitrophenolate 824-39-5 DTXSID5035616 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C1=C(C=CC=C1)[N+]([O-])=O Sodium 2-nitrophenolate 824-39-5|Sodium 2-nitrophenolate|EINECS 212-527-5|EPA Pesticide Chemical Code 129076|o-Nitrophenol sodium salt|Phenol, 2-nitro-, sodium salt (1:1)|Sodium o-nitrophenolate|26498-36-2|89324-14-1|94413-53-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035616
ERPathway2016 ERPathway2016_913 Sodium 2-nitrophenolate 824-39-5 DTXSID5035616 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C1=C(C=CC=C1)[N+]([O-])=O Sodium 2-nitrophenolate 824-39-5|Sodium 2-nitrophenolate|EINECS 212-527-5|EPA Pesticide Chemical Code 129076|o-Nitrophenol sodium salt|Phenol, 2-nitro-, sodium salt (1:1)|Sodium o-nitrophenolate|26498-36-2|89324-14-1|94413-53-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035616
ERPathway2016 ERPathway2016_913 Sodium 2-nitrophenolate 824-39-5 DTXSID5035616 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C1=C(C=CC=C1)[N+]([O-])=O Sodium 2-nitrophenolate 824-39-5|Sodium 2-nitrophenolate|EINECS 212-527-5|EPA Pesticide Chemical Code 129076|o-Nitrophenol sodium salt|Phenol, 2-nitro-, sodium salt (1:1)|Sodium o-nitrophenolate|26498-36-2|89324-14-1|94413-53-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035616
ERPathway2016 ERPathway2016_913 Sodium 2-nitrophenolate 824-39-5 DTXSID5035616 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C1=C(C=CC=C1)[N+]([O-])=O Sodium 2-nitrophenolate 824-39-5|Sodium 2-nitrophenolate|EINECS 212-527-5|EPA Pesticide Chemical Code 129076|o-Nitrophenol sodium salt|Phenol, 2-nitro-, sodium salt (1:1)|Sodium o-nitrophenolate|26498-36-2|89324-14-1|94413-53-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035616
ERPathway2016 ERPathway2016_913 Sodium 2-nitrophenolate 824-39-5 DTXSID5035616 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C1=C(C=CC=C1)[N+]([O-])=O Sodium 2-nitrophenolate 824-39-5|Sodium 2-nitrophenolate|EINECS 212-527-5|EPA Pesticide Chemical Code 129076|o-Nitrophenol sodium salt|Phenol, 2-nitro-, sodium salt (1:1)|Sodium o-nitrophenolate|26498-36-2|89324-14-1|94413-53-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5035616
ARPathway2016 ARPathway2016_1400 Sodium 2-phenylphenate tetrahydrate 6152-33-6 DTXSID1040794 1.0 R3 AR Pathway Model, Antagonist Model Score 0 Unitless O.O.O.O.[Na+].[O-]C1=C(C=CC=C1)C1=CC=CC=C1 Sodium 2-phenylphenate tetrahydrate 6152-33-6|Sodium 2-phenylphenate tetrahydrate|2-Phenylphenol sodium salt tetrahydrate|Sodium 2-biphenylate tetrahydrate|Sodium o-phenylphenate tetrahydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040794
ARPathway2016 ARPathway2016_1400 Sodium 2-phenylphenate tetrahydrate 6152-33-6 DTXSID1040794 1.0 R3 AR Pathway Model, Agonist Model Score 0 Unitless O.O.O.O.[Na+].[O-]C1=C(C=CC=C1)C1=CC=CC=C1 Sodium 2-phenylphenate tetrahydrate 6152-33-6|Sodium 2-phenylphenate tetrahydrate|2-Phenylphenol sodium salt tetrahydrate|Sodium 2-biphenylate tetrahydrate|Sodium o-phenylphenate tetrahydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040794
ARPathway2016 ARPathway2016_1400 Sodium 2-phenylphenate tetrahydrate 6152-33-6 DTXSID1040794 1.0 R3 AR Pathway Model, Agonist Call Inactive Unitless O.O.O.O.[Na+].[O-]C1=C(C=CC=C1)C1=CC=CC=C1 Sodium 2-phenylphenate tetrahydrate 6152-33-6|Sodium 2-phenylphenate tetrahydrate|2-Phenylphenol sodium salt tetrahydrate|Sodium 2-biphenylate tetrahydrate|Sodium o-phenylphenate tetrahydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040794
ARPathway2016 ARPathway2016_1400 Sodium 2-phenylphenate tetrahydrate 6152-33-6 DTXSID1040794 1.0 R3 AR Pathway Model, Antagonist Call Inactive Unitless O.O.O.O.[Na+].[O-]C1=C(C=CC=C1)C1=CC=CC=C1 Sodium 2-phenylphenate tetrahydrate 6152-33-6|Sodium 2-phenylphenate tetrahydrate|2-Phenylphenol sodium salt tetrahydrate|Sodium 2-biphenylate tetrahydrate|Sodium o-phenylphenate tetrahydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040794
ERPathway2016 ERPathway2016_782 Sodium 2-phenylphenate tetrahydrate 6152-33-6 DTXSID1040794 ER Pathway Model, Agonist Model Score 0 Unitless O.O.O.O.[Na+].[O-]C1=C(C=CC=C1)C1=CC=CC=C1 Sodium 2-phenylphenate tetrahydrate 6152-33-6|Sodium 2-phenylphenate tetrahydrate|2-Phenylphenol sodium salt tetrahydrate|Sodium 2-biphenylate tetrahydrate|Sodium o-phenylphenate tetrahydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040794
ERPathway2016 ERPathway2016_782 Sodium 2-phenylphenate tetrahydrate 6152-33-6 DTXSID1040794 ER Pathway Model, Antagonist Model Score 0 Unitless O.O.O.O.[Na+].[O-]C1=C(C=CC=C1)C1=CC=CC=C1 Sodium 2-phenylphenate tetrahydrate 6152-33-6|Sodium 2-phenylphenate tetrahydrate|2-Phenylphenol sodium salt tetrahydrate|Sodium 2-biphenylate tetrahydrate|Sodium o-phenylphenate tetrahydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040794
ERPathway2016 ERPathway2016_782 Sodium 2-phenylphenate tetrahydrate 6152-33-6 DTXSID1040794 ER Pathway Model, Agonist Call Inactive Unitless O.O.O.O.[Na+].[O-]C1=C(C=CC=C1)C1=CC=CC=C1 Sodium 2-phenylphenate tetrahydrate 6152-33-6|Sodium 2-phenylphenate tetrahydrate|2-Phenylphenol sodium salt tetrahydrate|Sodium 2-biphenylate tetrahydrate|Sodium o-phenylphenate tetrahydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040794
ERPathway2016 ERPathway2016_782 Sodium 2-phenylphenate tetrahydrate 6152-33-6 DTXSID1040794 ER Pathway Model, Antagonist Call Inactive Unitless O.O.O.O.[Na+].[O-]C1=C(C=CC=C1)C1=CC=CC=C1 Sodium 2-phenylphenate tetrahydrate 6152-33-6|Sodium 2-phenylphenate tetrahydrate|2-Phenylphenol sodium salt tetrahydrate|Sodium 2-biphenylate tetrahydrate|Sodium o-phenylphenate tetrahydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040794
ARPathway2016 ARPathway2016_1452 Sodium 4-methylbenzenesulfonate 657-84-1 DTXSID9042415 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC1=CC=C(C=C1)S([O-])(=O)=O Sodium 4-methylbenzenesulfonate 657-84-1|Sodium 4-methylbenzenesulfonate|4-Methylbenzenesulfonic acid sodium salt|4-Toluenesulfonic acid sodium salt|Benzenesulfonic acid 4-methyl-, sodium salt|Benzenesulfonic acid, 4-methyl-, sodium salt|Benzenesulfonic acid, 4-methyl-, sodium salt (1:1)|Cyclophil STS 70|EINECS 211-522-5|Eltesol ST 34|Eltesol ST 90|Natriumtoluol-4-sulfonat|Naxonate hydrotrope|Naxonate ST|NSC 203318|p-Toluenesulfonic acid sodium salt|p-Toluenesulfonic acid, sodium salt|para-Toluenesulfonic acid, sodium salt|Pilot STS 32|Sodium 4-toluenesulfonate|Sodium p-methylbenzenesulfonate|Sodium p-toluenesulfonate|Sodium p-toluensulfonate|Sodium p-tolyl sulfonate|Sodium p-tolylsulfonate|Sodium paratoluene sulphonate|Sodium tolenesulfonate|sodium toluene-4-sulphonate|Sodium toluene-p-sulphonate|Sodium tosylate|Taycatox N 3000|Toluene-4-sulfonate de sodium|TOLUENE-4-SULFONATE, SODIUM|Toluenesulfonic acid sodium salt|tolueno-4-sulfonato de sodio|Tosylate, sodium|UNII-2V179P6Q43|193486-93-0|29253-07-4|71161-92-7|99724-94-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042415
ARPathway2016 ARPathway2016_1452 Sodium 4-methylbenzenesulfonate 657-84-1 DTXSID9042415 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CC1=CC=C(C=C1)S([O-])(=O)=O Sodium 4-methylbenzenesulfonate 657-84-1|Sodium 4-methylbenzenesulfonate|4-Methylbenzenesulfonic acid sodium salt|4-Toluenesulfonic acid sodium salt|Benzenesulfonic acid 4-methyl-, sodium salt|Benzenesulfonic acid, 4-methyl-, sodium salt|Benzenesulfonic acid, 4-methyl-, sodium salt (1:1)|Cyclophil STS 70|EINECS 211-522-5|Eltesol ST 34|Eltesol ST 90|Natriumtoluol-4-sulfonat|Naxonate hydrotrope|Naxonate ST|NSC 203318|p-Toluenesulfonic acid sodium salt|p-Toluenesulfonic acid, sodium salt|para-Toluenesulfonic acid, sodium salt|Pilot STS 32|Sodium 4-toluenesulfonate|Sodium p-methylbenzenesulfonate|Sodium p-toluenesulfonate|Sodium p-toluensulfonate|Sodium p-tolyl sulfonate|Sodium p-tolylsulfonate|Sodium paratoluene sulphonate|Sodium tolenesulfonate|sodium toluene-4-sulphonate|Sodium toluene-p-sulphonate|Sodium tosylate|Taycatox N 3000|Toluene-4-sulfonate de sodium|TOLUENE-4-SULFONATE, SODIUM|Toluenesulfonic acid sodium salt|tolueno-4-sulfonato de sodio|Tosylate, sodium|UNII-2V179P6Q43|193486-93-0|29253-07-4|71161-92-7|99724-94-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042415
ARPathway2016 ARPathway2016_1452 Sodium 4-methylbenzenesulfonate 657-84-1 DTXSID9042415 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CC1=CC=C(C=C1)S([O-])(=O)=O Sodium 4-methylbenzenesulfonate 657-84-1|Sodium 4-methylbenzenesulfonate|4-Methylbenzenesulfonic acid sodium salt|4-Toluenesulfonic acid sodium salt|Benzenesulfonic acid 4-methyl-, sodium salt|Benzenesulfonic acid, 4-methyl-, sodium salt|Benzenesulfonic acid, 4-methyl-, sodium salt (1:1)|Cyclophil STS 70|EINECS 211-522-5|Eltesol ST 34|Eltesol ST 90|Natriumtoluol-4-sulfonat|Naxonate hydrotrope|Naxonate ST|NSC 203318|p-Toluenesulfonic acid sodium salt|p-Toluenesulfonic acid, sodium salt|para-Toluenesulfonic acid, sodium salt|Pilot STS 32|Sodium 4-toluenesulfonate|Sodium p-methylbenzenesulfonate|Sodium p-toluenesulfonate|Sodium p-toluensulfonate|Sodium p-tolyl sulfonate|Sodium p-tolylsulfonate|Sodium paratoluene sulphonate|Sodium tolenesulfonate|sodium toluene-4-sulphonate|Sodium toluene-p-sulphonate|Sodium tosylate|Taycatox N 3000|Toluene-4-sulfonate de sodium|TOLUENE-4-SULFONATE, SODIUM|Toluenesulfonic acid sodium salt|tolueno-4-sulfonato de sodio|Tosylate, sodium|UNII-2V179P6Q43|193486-93-0|29253-07-4|71161-92-7|99724-94-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042415
ARPathway2016 ARPathway2016_1452 Sodium 4-methylbenzenesulfonate 657-84-1 DTXSID9042415 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CC1=CC=C(C=C1)S([O-])(=O)=O Sodium 4-methylbenzenesulfonate 657-84-1|Sodium 4-methylbenzenesulfonate|4-Methylbenzenesulfonic acid sodium salt|4-Toluenesulfonic acid sodium salt|Benzenesulfonic acid 4-methyl-, sodium salt|Benzenesulfonic acid, 4-methyl-, sodium salt|Benzenesulfonic acid, 4-methyl-, sodium salt (1:1)|Cyclophil STS 70|EINECS 211-522-5|Eltesol ST 34|Eltesol ST 90|Natriumtoluol-4-sulfonat|Naxonate hydrotrope|Naxonate ST|NSC 203318|p-Toluenesulfonic acid sodium salt|p-Toluenesulfonic acid, sodium salt|para-Toluenesulfonic acid, sodium salt|Pilot STS 32|Sodium 4-toluenesulfonate|Sodium p-methylbenzenesulfonate|Sodium p-toluenesulfonate|Sodium p-toluensulfonate|Sodium p-tolyl sulfonate|Sodium p-tolylsulfonate|Sodium paratoluene sulphonate|Sodium tolenesulfonate|sodium toluene-4-sulphonate|Sodium toluene-p-sulphonate|Sodium tosylate|Taycatox N 3000|Toluene-4-sulfonate de sodium|TOLUENE-4-SULFONATE, SODIUM|Toluenesulfonic acid sodium salt|tolueno-4-sulfonato de sodio|Tosylate, sodium|UNII-2V179P6Q43|193486-93-0|29253-07-4|71161-92-7|99724-94-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042415
ERPathway2016 ERPathway2016_1600 Sodium 4-methylbenzenesulfonate 657-84-1 DTXSID9042415 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CC1=CC=C(C=C1)S([O-])(=O)=O Sodium 4-methylbenzenesulfonate 657-84-1|Sodium 4-methylbenzenesulfonate|4-Methylbenzenesulfonic acid sodium salt|4-Toluenesulfonic acid sodium salt|Benzenesulfonic acid 4-methyl-, sodium salt|Benzenesulfonic acid, 4-methyl-, sodium salt|Benzenesulfonic acid, 4-methyl-, sodium salt (1:1)|Cyclophil STS 70|EINECS 211-522-5|Eltesol ST 34|Eltesol ST 90|Natriumtoluol-4-sulfonat|Naxonate hydrotrope|Naxonate ST|NSC 203318|p-Toluenesulfonic acid sodium salt|p-Toluenesulfonic acid, sodium salt|para-Toluenesulfonic acid, sodium salt|Pilot STS 32|Sodium 4-toluenesulfonate|Sodium p-methylbenzenesulfonate|Sodium p-toluenesulfonate|Sodium p-toluensulfonate|Sodium p-tolyl sulfonate|Sodium p-tolylsulfonate|Sodium paratoluene sulphonate|Sodium tolenesulfonate|sodium toluene-4-sulphonate|Sodium toluene-p-sulphonate|Sodium tosylate|Taycatox N 3000|Toluene-4-sulfonate de sodium|TOLUENE-4-SULFONATE, SODIUM|Toluenesulfonic acid sodium salt|tolueno-4-sulfonato de sodio|Tosylate, sodium|UNII-2V179P6Q43|193486-93-0|29253-07-4|71161-92-7|99724-94-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042415
ERPathway2016 ERPathway2016_1600 Sodium 4-methylbenzenesulfonate 657-84-1 DTXSID9042415 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC1=CC=C(C=C1)S([O-])(=O)=O Sodium 4-methylbenzenesulfonate 657-84-1|Sodium 4-methylbenzenesulfonate|4-Methylbenzenesulfonic acid sodium salt|4-Toluenesulfonic acid sodium salt|Benzenesulfonic acid 4-methyl-, sodium salt|Benzenesulfonic acid, 4-methyl-, sodium salt|Benzenesulfonic acid, 4-methyl-, sodium salt (1:1)|Cyclophil STS 70|EINECS 211-522-5|Eltesol ST 34|Eltesol ST 90|Natriumtoluol-4-sulfonat|Naxonate hydrotrope|Naxonate ST|NSC 203318|p-Toluenesulfonic acid sodium salt|p-Toluenesulfonic acid, sodium salt|para-Toluenesulfonic acid, sodium salt|Pilot STS 32|Sodium 4-toluenesulfonate|Sodium p-methylbenzenesulfonate|Sodium p-toluenesulfonate|Sodium p-toluensulfonate|Sodium p-tolyl sulfonate|Sodium p-tolylsulfonate|Sodium paratoluene sulphonate|Sodium tolenesulfonate|sodium toluene-4-sulphonate|Sodium toluene-p-sulphonate|Sodium tosylate|Taycatox N 3000|Toluene-4-sulfonate de sodium|TOLUENE-4-SULFONATE, SODIUM|Toluenesulfonic acid sodium salt|tolueno-4-sulfonato de sodio|Tosylate, sodium|UNII-2V179P6Q43|193486-93-0|29253-07-4|71161-92-7|99724-94-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042415
ERPathway2016 ERPathway2016_1600 Sodium 4-methylbenzenesulfonate 657-84-1 DTXSID9042415 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CC1=CC=C(C=C1)S([O-])(=O)=O Sodium 4-methylbenzenesulfonate 657-84-1|Sodium 4-methylbenzenesulfonate|4-Methylbenzenesulfonic acid sodium salt|4-Toluenesulfonic acid sodium salt|Benzenesulfonic acid 4-methyl-, sodium salt|Benzenesulfonic acid, 4-methyl-, sodium salt|Benzenesulfonic acid, 4-methyl-, sodium salt (1:1)|Cyclophil STS 70|EINECS 211-522-5|Eltesol ST 34|Eltesol ST 90|Natriumtoluol-4-sulfonat|Naxonate hydrotrope|Naxonate ST|NSC 203318|p-Toluenesulfonic acid sodium salt|p-Toluenesulfonic acid, sodium salt|para-Toluenesulfonic acid, sodium salt|Pilot STS 32|Sodium 4-toluenesulfonate|Sodium p-methylbenzenesulfonate|Sodium p-toluenesulfonate|Sodium p-toluensulfonate|Sodium p-tolyl sulfonate|Sodium p-tolylsulfonate|Sodium paratoluene sulphonate|Sodium tolenesulfonate|sodium toluene-4-sulphonate|Sodium toluene-p-sulphonate|Sodium tosylate|Taycatox N 3000|Toluene-4-sulfonate de sodium|TOLUENE-4-SULFONATE, SODIUM|Toluenesulfonic acid sodium salt|tolueno-4-sulfonato de sodio|Tosylate, sodium|UNII-2V179P6Q43|193486-93-0|29253-07-4|71161-92-7|99724-94-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042415
ERPathway2016 ERPathway2016_1600 Sodium 4-methylbenzenesulfonate 657-84-1 DTXSID9042415 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CC1=CC=C(C=C1)S([O-])(=O)=O Sodium 4-methylbenzenesulfonate 657-84-1|Sodium 4-methylbenzenesulfonate|4-Methylbenzenesulfonic acid sodium salt|4-Toluenesulfonic acid sodium salt|Benzenesulfonic acid 4-methyl-, sodium salt|Benzenesulfonic acid, 4-methyl-, sodium salt|Benzenesulfonic acid, 4-methyl-, sodium salt (1:1)|Cyclophil STS 70|EINECS 211-522-5|Eltesol ST 34|Eltesol ST 90|Natriumtoluol-4-sulfonat|Naxonate hydrotrope|Naxonate ST|NSC 203318|p-Toluenesulfonic acid sodium salt|p-Toluenesulfonic acid, sodium salt|para-Toluenesulfonic acid, sodium salt|Pilot STS 32|Sodium 4-toluenesulfonate|Sodium p-methylbenzenesulfonate|Sodium p-toluenesulfonate|Sodium p-toluensulfonate|Sodium p-tolyl sulfonate|Sodium p-tolylsulfonate|Sodium paratoluene sulphonate|Sodium tolenesulfonate|sodium toluene-4-sulphonate|Sodium toluene-p-sulphonate|Sodium tosylate|Taycatox N 3000|Toluene-4-sulfonate de sodium|TOLUENE-4-SULFONATE, SODIUM|Toluenesulfonic acid sodium salt|tolueno-4-sulfonato de sodio|Tosylate, sodium|UNII-2V179P6Q43|193486-93-0|29253-07-4|71161-92-7|99724-94-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042415
ARPathway2016 ARPathway2016_1623 Sodium 4-nitrophenolate 824-78-2 DTXSID3027320 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C1=CC=C(C=C1)[N+]([O-])=O Sodium 4-nitrophenolate 824-78-2|Sodium 4-nitrophenolate|4-Nitrophenol sodium salt|EINECS 212-536-4|EPA Pesticide Chemical Code 129077|p-Nitrophenol sodium salt|para-Nitro sodium phenolate|Phenol, 4-nitro-, sodium salt (1:1)|Phenol, 4-nitro-, sodium salt) (p-Nitrophenol sodium salt|Sodium 4-nitrophenoxide|Sodium nitrophenate|Sodium p-nitrophenate|Sodium p-nitrophenol|Sodium p-nitrophenolate|Sodium p-nitrophenoxide|UNII-4RPH5V4ONG|89324-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027320
ARPathway2016 ARPathway2016_1623 Sodium 4-nitrophenolate 824-78-2 DTXSID3027320 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C1=CC=C(C=C1)[N+]([O-])=O Sodium 4-nitrophenolate 824-78-2|Sodium 4-nitrophenolate|4-Nitrophenol sodium salt|EINECS 212-536-4|EPA Pesticide Chemical Code 129077|p-Nitrophenol sodium salt|para-Nitro sodium phenolate|Phenol, 4-nitro-, sodium salt (1:1)|Phenol, 4-nitro-, sodium salt) (p-Nitrophenol sodium salt|Sodium 4-nitrophenoxide|Sodium nitrophenate|Sodium p-nitrophenate|Sodium p-nitrophenol|Sodium p-nitrophenolate|Sodium p-nitrophenoxide|UNII-4RPH5V4ONG|89324-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027320
ARPathway2016 ARPathway2016_1623 Sodium 4-nitrophenolate 824-78-2 DTXSID3027320 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C1=CC=C(C=C1)[N+]([O-])=O Sodium 4-nitrophenolate 824-78-2|Sodium 4-nitrophenolate|4-Nitrophenol sodium salt|EINECS 212-536-4|EPA Pesticide Chemical Code 129077|p-Nitrophenol sodium salt|para-Nitro sodium phenolate|Phenol, 4-nitro-, sodium salt (1:1)|Phenol, 4-nitro-, sodium salt) (p-Nitrophenol sodium salt|Sodium 4-nitrophenoxide|Sodium nitrophenate|Sodium p-nitrophenate|Sodium p-nitrophenol|Sodium p-nitrophenolate|Sodium p-nitrophenoxide|UNII-4RPH5V4ONG|89324-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027320
ARPathway2016 ARPathway2016_1623 Sodium 4-nitrophenolate 824-78-2 DTXSID3027320 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C1=CC=C(C=C1)[N+]([O-])=O Sodium 4-nitrophenolate 824-78-2|Sodium 4-nitrophenolate|4-Nitrophenol sodium salt|EINECS 212-536-4|EPA Pesticide Chemical Code 129077|p-Nitrophenol sodium salt|para-Nitro sodium phenolate|Phenol, 4-nitro-, sodium salt (1:1)|Phenol, 4-nitro-, sodium salt) (p-Nitrophenol sodium salt|Sodium 4-nitrophenoxide|Sodium nitrophenate|Sodium p-nitrophenate|Sodium p-nitrophenol|Sodium p-nitrophenolate|Sodium p-nitrophenoxide|UNII-4RPH5V4ONG|89324-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027320
ERPathway2016 ERPathway2016_1692 Sodium 4-nitrophenolate 824-78-2 DTXSID3027320 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C1=CC=C(C=C1)[N+]([O-])=O Sodium 4-nitrophenolate 824-78-2|Sodium 4-nitrophenolate|4-Nitrophenol sodium salt|EINECS 212-536-4|EPA Pesticide Chemical Code 129077|p-Nitrophenol sodium salt|para-Nitro sodium phenolate|Phenol, 4-nitro-, sodium salt (1:1)|Phenol, 4-nitro-, sodium salt) (p-Nitrophenol sodium salt|Sodium 4-nitrophenoxide|Sodium nitrophenate|Sodium p-nitrophenate|Sodium p-nitrophenol|Sodium p-nitrophenolate|Sodium p-nitrophenoxide|UNII-4RPH5V4ONG|89324-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027320
ERPathway2016 ERPathway2016_1692 Sodium 4-nitrophenolate 824-78-2 DTXSID3027320 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C1=CC=C(C=C1)[N+]([O-])=O Sodium 4-nitrophenolate 824-78-2|Sodium 4-nitrophenolate|4-Nitrophenol sodium salt|EINECS 212-536-4|EPA Pesticide Chemical Code 129077|p-Nitrophenol sodium salt|para-Nitro sodium phenolate|Phenol, 4-nitro-, sodium salt (1:1)|Phenol, 4-nitro-, sodium salt) (p-Nitrophenol sodium salt|Sodium 4-nitrophenoxide|Sodium nitrophenate|Sodium p-nitrophenate|Sodium p-nitrophenol|Sodium p-nitrophenolate|Sodium p-nitrophenoxide|UNII-4RPH5V4ONG|89324-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027320
ERPathway2016 ERPathway2016_1692 Sodium 4-nitrophenolate 824-78-2 DTXSID3027320 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C1=CC=C(C=C1)[N+]([O-])=O Sodium 4-nitrophenolate 824-78-2|Sodium 4-nitrophenolate|4-Nitrophenol sodium salt|EINECS 212-536-4|EPA Pesticide Chemical Code 129077|p-Nitrophenol sodium salt|para-Nitro sodium phenolate|Phenol, 4-nitro-, sodium salt (1:1)|Phenol, 4-nitro-, sodium salt) (p-Nitrophenol sodium salt|Sodium 4-nitrophenoxide|Sodium nitrophenate|Sodium p-nitrophenate|Sodium p-nitrophenol|Sodium p-nitrophenolate|Sodium p-nitrophenoxide|UNII-4RPH5V4ONG|89324-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027320
ERPathway2016 ERPathway2016_1692 Sodium 4-nitrophenolate 824-78-2 DTXSID3027320 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C1=CC=C(C=C1)[N+]([O-])=O Sodium 4-nitrophenolate 824-78-2|Sodium 4-nitrophenolate|4-Nitrophenol sodium salt|EINECS 212-536-4|EPA Pesticide Chemical Code 129077|p-Nitrophenol sodium salt|para-Nitro sodium phenolate|Phenol, 4-nitro-, sodium salt (1:1)|Phenol, 4-nitro-, sodium salt) (p-Nitrophenol sodium salt|Sodium 4-nitrophenoxide|Sodium nitrophenate|Sodium p-nitrophenate|Sodium p-nitrophenol|Sodium p-nitrophenolate|Sodium p-nitrophenoxide|UNII-4RPH5V4ONG|89324-15-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027320
ARPathway2016 ARPathway2016_1399 Sodium 4-octylbenzenesulfonate 6149-03-7 DTXSID9047594 1.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O Sodium 4-octylbenzenesulfonate 6149-03-7|Sodium 4-octylbenzenesulfonate|4-Octylbenzenesulfonic acid sodium salt|Benzenesulfonic acid, 4-octyl-, sodium salt|Benzenesulfonic acid, 4-octyl-, sodium salt (1:1)|EINECS 228-158-8|Sodium 4-n-octylbenzenesulfonate|Sodium 4-octylbenzenesulfonate|Sodium p-n-octylbenzenesulfonate|Sodium p-octylbenzenesulfonate|141420-61-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047594
ARPathway2016 ARPathway2016_1399 Sodium 4-octylbenzenesulfonate 6149-03-7 DTXSID9047594 1.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O Sodium 4-octylbenzenesulfonate 6149-03-7|Sodium 4-octylbenzenesulfonate|4-Octylbenzenesulfonic acid sodium salt|Benzenesulfonic acid, 4-octyl-, sodium salt|Benzenesulfonic acid, 4-octyl-, sodium salt (1:1)|EINECS 228-158-8|Sodium 4-n-octylbenzenesulfonate|Sodium 4-octylbenzenesulfonate|Sodium p-n-octylbenzenesulfonate|Sodium p-octylbenzenesulfonate|141420-61-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047594
ARPathway2016 ARPathway2016_1399 Sodium 4-octylbenzenesulfonate 6149-03-7 DTXSID9047594 1.0 A3 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O Sodium 4-octylbenzenesulfonate 6149-03-7|Sodium 4-octylbenzenesulfonate|4-Octylbenzenesulfonic acid sodium salt|Benzenesulfonic acid, 4-octyl-, sodium salt|Benzenesulfonic acid, 4-octyl-, sodium salt (1:1)|EINECS 228-158-8|Sodium 4-n-octylbenzenesulfonate|Sodium 4-octylbenzenesulfonate|Sodium p-n-octylbenzenesulfonate|Sodium p-octylbenzenesulfonate|141420-61-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047594
ARPathway2016 ARPathway2016_1399 Sodium 4-octylbenzenesulfonate 6149-03-7 DTXSID9047594 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O Sodium 4-octylbenzenesulfonate 6149-03-7|Sodium 4-octylbenzenesulfonate|4-Octylbenzenesulfonic acid sodium salt|Benzenesulfonic acid, 4-octyl-, sodium salt|Benzenesulfonic acid, 4-octyl-, sodium salt (1:1)|EINECS 228-158-8|Sodium 4-n-octylbenzenesulfonate|Sodium 4-octylbenzenesulfonate|Sodium p-n-octylbenzenesulfonate|Sodium p-octylbenzenesulfonate|141420-61-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047594
ERPathway2016 ERPathway2016_637 Sodium 4-octylbenzenesulfonate 6149-03-7 DTXSID9047594 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O Sodium 4-octylbenzenesulfonate 6149-03-7|Sodium 4-octylbenzenesulfonate|4-Octylbenzenesulfonic acid sodium salt|Benzenesulfonic acid, 4-octyl-, sodium salt|Benzenesulfonic acid, 4-octyl-, sodium salt (1:1)|EINECS 228-158-8|Sodium 4-n-octylbenzenesulfonate|Sodium 4-octylbenzenesulfonate|Sodium p-n-octylbenzenesulfonate|Sodium p-octylbenzenesulfonate|141420-61-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047594
ERPathway2016 ERPathway2016_637 Sodium 4-octylbenzenesulfonate 6149-03-7 DTXSID9047594 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O Sodium 4-octylbenzenesulfonate 6149-03-7|Sodium 4-octylbenzenesulfonate|4-Octylbenzenesulfonic acid sodium salt|Benzenesulfonic acid, 4-octyl-, sodium salt|Benzenesulfonic acid, 4-octyl-, sodium salt (1:1)|EINECS 228-158-8|Sodium 4-n-octylbenzenesulfonate|Sodium 4-octylbenzenesulfonate|Sodium p-n-octylbenzenesulfonate|Sodium p-octylbenzenesulfonate|141420-61-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047594
ERPathway2016 ERPathway2016_637 Sodium 4-octylbenzenesulfonate 6149-03-7 DTXSID9047594 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O Sodium 4-octylbenzenesulfonate 6149-03-7|Sodium 4-octylbenzenesulfonate|4-Octylbenzenesulfonic acid sodium salt|Benzenesulfonic acid, 4-octyl-, sodium salt|Benzenesulfonic acid, 4-octyl-, sodium salt (1:1)|EINECS 228-158-8|Sodium 4-n-octylbenzenesulfonate|Sodium 4-octylbenzenesulfonate|Sodium p-n-octylbenzenesulfonate|Sodium p-octylbenzenesulfonate|141420-61-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047594
ERPathway2016 ERPathway2016_637 Sodium 4-octylbenzenesulfonate 6149-03-7 DTXSID9047594 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O Sodium 4-octylbenzenesulfonate 6149-03-7|Sodium 4-octylbenzenesulfonate|4-Octylbenzenesulfonic acid sodium salt|Benzenesulfonic acid, 4-octyl-, sodium salt|Benzenesulfonic acid, 4-octyl-, sodium salt (1:1)|EINECS 228-158-8|Sodium 4-n-octylbenzenesulfonate|Sodium 4-octylbenzenesulfonate|Sodium p-n-octylbenzenesulfonate|Sodium p-octylbenzenesulfonate|141420-61-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047594
ARPathway2016 ARPathway2016_854 Sodium abietate 14351-66-7 DTXSID8042399 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C([O-])=O)C(C)C Sodium abietate 14351-66-7|Sodium abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt (1:1), (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, [1R-(1a,4ab,4ba,10aa)]-|238-313-1|Abietic acid sodium salt|EC No.: 238-313-1|EINECS 238-313-1|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, sodium salt|UNII-0E9Y24M11F https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042399
ARPathway2016 ARPathway2016_854 Sodium abietate 14351-66-7 DTXSID8042399 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C([O-])=O)C(C)C Sodium abietate 14351-66-7|Sodium abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt (1:1), (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, [1R-(1a,4ab,4ba,10aa)]-|238-313-1|Abietic acid sodium salt|EC No.: 238-313-1|EINECS 238-313-1|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, sodium salt|UNII-0E9Y24M11F https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042399
ARPathway2016 ARPathway2016_854 Sodium abietate 14351-66-7 DTXSID8042399 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C([O-])=O)C(C)C Sodium abietate 14351-66-7|Sodium abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt (1:1), (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, [1R-(1a,4ab,4ba,10aa)]-|238-313-1|Abietic acid sodium salt|EC No.: 238-313-1|EINECS 238-313-1|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, sodium salt|UNII-0E9Y24M11F https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042399
ARPathway2016 ARPathway2016_854 Sodium abietate 14351-66-7 DTXSID8042399 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C([O-])=O)C(C)C Sodium abietate 14351-66-7|Sodium abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt (1:1), (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, [1R-(1a,4ab,4ba,10aa)]-|238-313-1|Abietic acid sodium salt|EC No.: 238-313-1|EINECS 238-313-1|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, sodium salt|UNII-0E9Y24M11F https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042399
ERPathway2016 ERPathway2016_51 Sodium abietate 14351-66-7 DTXSID8042399 ER Pathway Model, Agonist AC50 23.8960995026744 uM [Na+].[H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C([O-])=O)C(C)C Sodium abietate 14351-66-7|Sodium abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt (1:1), (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, [1R-(1a,4ab,4ba,10aa)]-|238-313-1|Abietic acid sodium salt|EC No.: 238-313-1|EINECS 238-313-1|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, sodium salt|UNII-0E9Y24M11F https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042399
ERPathway2016 ERPathway2016_51 Sodium abietate 14351-66-7 DTXSID8042399 ER Pathway Model, Agonist ACC 23.8132181577935 uM [Na+].[H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C([O-])=O)C(C)C Sodium abietate 14351-66-7|Sodium abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt (1:1), (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, [1R-(1a,4ab,4ba,10aa)]-|238-313-1|Abietic acid sodium salt|EC No.: 238-313-1|EINECS 238-313-1|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, sodium salt|UNII-0E9Y24M11F https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042399
ERPathway2016 ERPathway2016_51 Sodium abietate 14351-66-7 DTXSID8042399 ER Pathway Model, Agonist Model Score 0.00244 Unitless [Na+].[H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C([O-])=O)C(C)C Sodium abietate 14351-66-7|Sodium abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt (1:1), (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, [1R-(1a,4ab,4ba,10aa)]-|238-313-1|Abietic acid sodium salt|EC No.: 238-313-1|EINECS 238-313-1|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, sodium salt|UNII-0E9Y24M11F https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042399
ERPathway2016 ERPathway2016_51 Sodium abietate 14351-66-7 DTXSID8042399 ER Pathway Model, Antagonist Model Score 0.0112 Unitless [Na+].[H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C([O-])=O)C(C)C Sodium abietate 14351-66-7|Sodium abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt (1:1), (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, [1R-(1a,4ab,4ba,10aa)]-|238-313-1|Abietic acid sodium salt|EC No.: 238-313-1|EINECS 238-313-1|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, sodium salt|UNII-0E9Y24M11F https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042399
ERPathway2016 ERPathway2016_51 Sodium abietate 14351-66-7 DTXSID8042399 ER Pathway Model, Agonist Call Active Unitless [Na+].[H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C([O-])=O)C(C)C Sodium abietate 14351-66-7|Sodium abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt (1:1), (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, [1R-(1a,4ab,4ba,10aa)]-|238-313-1|Abietic acid sodium salt|EC No.: 238-313-1|EINECS 238-313-1|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, sodium salt|UNII-0E9Y24M11F https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042399
ERPathway2016 ERPathway2016_51 Sodium abietate 14351-66-7 DTXSID8042399 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C([O-])=O)C(C)C Sodium abietate 14351-66-7|Sodium abietate|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt (1:1), (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, (1R,4aR,4bR,10aR)-|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, [1R-(1a,4ab,4ba,10aa)]-|238-313-1|Abietic acid sodium salt|EC No.: 238-313-1|EINECS 238-313-1|Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, sodium salt|UNII-0E9Y24M11F https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042399
ARPathway2016 ARPathway2016_1077 Sodium azide 26628-22-8 DTXSID8020121 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[N-]=[N+]=[N-] Sodium azide 26628-22-8|Sodium azide|247-852-1|Azide, sodium|aziduro de sodio|Azoture de sodium|Azydek sodu|Caswell No. 744A|EC No.: 247-852-1|EINECS 247-852-1|Hydrazoic acid, sodium salt|Natriumazid|Natriummazide|NCI-C06462|Nemazyd|NSC 3072|P.C. Code 107701|PC Code 107701|RCRA waste number P105|Sodium azide|Sodium azide (Na(N3))|Sodium nitride|Sodium, azoture de|Sodium, azoturo di|UN 1687|UNII-968JJ8C9DV|108592-00-3|12136-89-9|157302-08-4|20828-18-6|503002-54-8|575502-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020121 https://doi.org/10.22427/NTP-DATA-DTXSID8020121
ARPathway2016 ARPathway2016_1077 Sodium azide 26628-22-8 DTXSID8020121 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[N-]=[N+]=[N-] Sodium azide 26628-22-8|Sodium azide|247-852-1|Azide, sodium|aziduro de sodio|Azoture de sodium|Azydek sodu|Caswell No. 744A|EC No.: 247-852-1|EINECS 247-852-1|Hydrazoic acid, sodium salt|Natriumazid|Natriummazide|NCI-C06462|Nemazyd|NSC 3072|P.C. Code 107701|PC Code 107701|RCRA waste number P105|Sodium azide|Sodium azide (Na(N3))|Sodium nitride|Sodium, azoture de|Sodium, azoturo di|UN 1687|UNII-968JJ8C9DV|108592-00-3|12136-89-9|157302-08-4|20828-18-6|503002-54-8|575502-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020121 https://doi.org/10.22427/NTP-DATA-DTXSID8020121
ARPathway2016 ARPathway2016_1077 Sodium azide 26628-22-8 DTXSID8020121 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[N-]=[N+]=[N-] Sodium azide 26628-22-8|Sodium azide|247-852-1|Azide, sodium|aziduro de sodio|Azoture de sodium|Azydek sodu|Caswell No. 744A|EC No.: 247-852-1|EINECS 247-852-1|Hydrazoic acid, sodium salt|Natriumazid|Natriummazide|NCI-C06462|Nemazyd|NSC 3072|P.C. Code 107701|PC Code 107701|RCRA waste number P105|Sodium azide|Sodium azide (Na(N3))|Sodium nitride|Sodium, azoture de|Sodium, azoturo di|UN 1687|UNII-968JJ8C9DV|108592-00-3|12136-89-9|157302-08-4|20828-18-6|503002-54-8|575502-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020121 https://doi.org/10.22427/NTP-DATA-DTXSID8020121
ARPathway2016 ARPathway2016_1077 Sodium azide 26628-22-8 DTXSID8020121 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[N-]=[N+]=[N-] Sodium azide 26628-22-8|Sodium azide|247-852-1|Azide, sodium|aziduro de sodio|Azoture de sodium|Azydek sodu|Caswell No. 744A|EC No.: 247-852-1|EINECS 247-852-1|Hydrazoic acid, sodium salt|Natriumazid|Natriummazide|NCI-C06462|Nemazyd|NSC 3072|P.C. Code 107701|PC Code 107701|RCRA waste number P105|Sodium azide|Sodium azide (Na(N3))|Sodium nitride|Sodium, azoture de|Sodium, azoturo di|UN 1687|UNII-968JJ8C9DV|108592-00-3|12136-89-9|157302-08-4|20828-18-6|503002-54-8|575502-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020121 https://doi.org/10.22427/NTP-DATA-DTXSID8020121
ERPathway2016 ERPathway2016_1415 Sodium azide 26628-22-8 DTXSID8020121 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[N-]=[N+]=[N-] Sodium azide 26628-22-8|Sodium azide|247-852-1|Azide, sodium|aziduro de sodio|Azoture de sodium|Azydek sodu|Caswell No. 744A|EC No.: 247-852-1|EINECS 247-852-1|Hydrazoic acid, sodium salt|Natriumazid|Natriummazide|NCI-C06462|Nemazyd|NSC 3072|P.C. Code 107701|PC Code 107701|RCRA waste number P105|Sodium azide|Sodium azide (Na(N3))|Sodium nitride|Sodium, azoture de|Sodium, azoturo di|UN 1687|UNII-968JJ8C9DV|108592-00-3|12136-89-9|157302-08-4|20828-18-6|503002-54-8|575502-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020121 https://doi.org/10.22427/NTP-DATA-DTXSID8020121
ERPathway2016 ERPathway2016_1415 Sodium azide 26628-22-8 DTXSID8020121 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[N-]=[N+]=[N-] Sodium azide 26628-22-8|Sodium azide|247-852-1|Azide, sodium|aziduro de sodio|Azoture de sodium|Azydek sodu|Caswell No. 744A|EC No.: 247-852-1|EINECS 247-852-1|Hydrazoic acid, sodium salt|Natriumazid|Natriummazide|NCI-C06462|Nemazyd|NSC 3072|P.C. Code 107701|PC Code 107701|RCRA waste number P105|Sodium azide|Sodium azide (Na(N3))|Sodium nitride|Sodium, azoture de|Sodium, azoturo di|UN 1687|UNII-968JJ8C9DV|108592-00-3|12136-89-9|157302-08-4|20828-18-6|503002-54-8|575502-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020121 https://doi.org/10.22427/NTP-DATA-DTXSID8020121
ERPathway2016 ERPathway2016_1415 Sodium azide 26628-22-8 DTXSID8020121 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[N-]=[N+]=[N-] Sodium azide 26628-22-8|Sodium azide|247-852-1|Azide, sodium|aziduro de sodio|Azoture de sodium|Azydek sodu|Caswell No. 744A|EC No.: 247-852-1|EINECS 247-852-1|Hydrazoic acid, sodium salt|Natriumazid|Natriummazide|NCI-C06462|Nemazyd|NSC 3072|P.C. Code 107701|PC Code 107701|RCRA waste number P105|Sodium azide|Sodium azide (Na(N3))|Sodium nitride|Sodium, azoture de|Sodium, azoturo di|UN 1687|UNII-968JJ8C9DV|108592-00-3|12136-89-9|157302-08-4|20828-18-6|503002-54-8|575502-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020121 https://doi.org/10.22427/NTP-DATA-DTXSID8020121
ERPathway2016 ERPathway2016_1415 Sodium azide 26628-22-8 DTXSID8020121 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[N-]=[N+]=[N-] Sodium azide 26628-22-8|Sodium azide|247-852-1|Azide, sodium|aziduro de sodio|Azoture de sodium|Azydek sodu|Caswell No. 744A|EC No.: 247-852-1|EINECS 247-852-1|Hydrazoic acid, sodium salt|Natriumazid|Natriummazide|NCI-C06462|Nemazyd|NSC 3072|P.C. Code 107701|PC Code 107701|RCRA waste number P105|Sodium azide|Sodium azide (Na(N3))|Sodium nitride|Sodium, azoture de|Sodium, azoturo di|UN 1687|UNII-968JJ8C9DV|108592-00-3|12136-89-9|157302-08-4|20828-18-6|503002-54-8|575502-02-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8020121 https://doi.org/10.22427/NTP-DATA-DTXSID8020121
ARPathway2016 ARPathway2016_1288 Sodium benzoate 532-32-1 DTXSID1020140 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C(=O)C1=CC=CC=C1 Sodium benzoate 532-32-1|Sodium benzoate|Antimol|Benzoan sodny|Benzoate de sodium|Benzoate of soda|Benzoate sodium|Benzoate, sodium|benzoato de sodio|Benzoesaeure (na-salz)|Benzoic acid sodium salt|Benzoic acid, sodium salt|Benzoic acid, sodium salt (1:1)|Caswell No. 746|E211|EINECS 208-534-8|EPA Pesticide Chemical Code 009103|FEMA No. 3025|FEMA Number 3025|Fuminaru|Natrium benzoicum|Natriumbenzoat|Purox S|Sobenate|UNII-OJ245FE5EU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020140
ARPathway2016 ARPathway2016_1288 Sodium benzoate 532-32-1 DTXSID1020140 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C(=O)C1=CC=CC=C1 Sodium benzoate 532-32-1|Sodium benzoate|Antimol|Benzoan sodny|Benzoate de sodium|Benzoate of soda|Benzoate sodium|Benzoate, sodium|benzoato de sodio|Benzoesaeure (na-salz)|Benzoic acid sodium salt|Benzoic acid, sodium salt|Benzoic acid, sodium salt (1:1)|Caswell No. 746|E211|EINECS 208-534-8|EPA Pesticide Chemical Code 009103|FEMA No. 3025|FEMA Number 3025|Fuminaru|Natrium benzoicum|Natriumbenzoat|Purox S|Sobenate|UNII-OJ245FE5EU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020140
ARPathway2016 ARPathway2016_1288 Sodium benzoate 532-32-1 DTXSID1020140 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C(=O)C1=CC=CC=C1 Sodium benzoate 532-32-1|Sodium benzoate|Antimol|Benzoan sodny|Benzoate de sodium|Benzoate of soda|Benzoate sodium|Benzoate, sodium|benzoato de sodio|Benzoesaeure (na-salz)|Benzoic acid sodium salt|Benzoic acid, sodium salt|Benzoic acid, sodium salt (1:1)|Caswell No. 746|E211|EINECS 208-534-8|EPA Pesticide Chemical Code 009103|FEMA No. 3025|FEMA Number 3025|Fuminaru|Natrium benzoicum|Natriumbenzoat|Purox S|Sobenate|UNII-OJ245FE5EU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020140
ARPathway2016 ARPathway2016_1288 Sodium benzoate 532-32-1 DTXSID1020140 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C(=O)C1=CC=CC=C1 Sodium benzoate 532-32-1|Sodium benzoate|Antimol|Benzoan sodny|Benzoate de sodium|Benzoate of soda|Benzoate sodium|Benzoate, sodium|benzoato de sodio|Benzoesaeure (na-salz)|Benzoic acid sodium salt|Benzoic acid, sodium salt|Benzoic acid, sodium salt (1:1)|Caswell No. 746|E211|EINECS 208-534-8|EPA Pesticide Chemical Code 009103|FEMA No. 3025|FEMA Number 3025|Fuminaru|Natrium benzoicum|Natriumbenzoat|Purox S|Sobenate|UNII-OJ245FE5EU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020140
ERPathway2016 ERPathway2016_1517 Sodium benzoate 532-32-1 DTXSID1020140 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C(=O)C1=CC=CC=C1 Sodium benzoate 532-32-1|Sodium benzoate|Antimol|Benzoan sodny|Benzoate de sodium|Benzoate of soda|Benzoate sodium|Benzoate, sodium|benzoato de sodio|Benzoesaeure (na-salz)|Benzoic acid sodium salt|Benzoic acid, sodium salt|Benzoic acid, sodium salt (1:1)|Caswell No. 746|E211|EINECS 208-534-8|EPA Pesticide Chemical Code 009103|FEMA No. 3025|FEMA Number 3025|Fuminaru|Natrium benzoicum|Natriumbenzoat|Purox S|Sobenate|UNII-OJ245FE5EU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020140
ERPathway2016 ERPathway2016_1517 Sodium benzoate 532-32-1 DTXSID1020140 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C(=O)C1=CC=CC=C1 Sodium benzoate 532-32-1|Sodium benzoate|Antimol|Benzoan sodny|Benzoate de sodium|Benzoate of soda|Benzoate sodium|Benzoate, sodium|benzoato de sodio|Benzoesaeure (na-salz)|Benzoic acid sodium salt|Benzoic acid, sodium salt|Benzoic acid, sodium salt (1:1)|Caswell No. 746|E211|EINECS 208-534-8|EPA Pesticide Chemical Code 009103|FEMA No. 3025|FEMA Number 3025|Fuminaru|Natrium benzoicum|Natriumbenzoat|Purox S|Sobenate|UNII-OJ245FE5EU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020140
ERPathway2016 ERPathway2016_1517 Sodium benzoate 532-32-1 DTXSID1020140 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C(=O)C1=CC=CC=C1 Sodium benzoate 532-32-1|Sodium benzoate|Antimol|Benzoan sodny|Benzoate de sodium|Benzoate of soda|Benzoate sodium|Benzoate, sodium|benzoato de sodio|Benzoesaeure (na-salz)|Benzoic acid sodium salt|Benzoic acid, sodium salt|Benzoic acid, sodium salt (1:1)|Caswell No. 746|E211|EINECS 208-534-8|EPA Pesticide Chemical Code 009103|FEMA No. 3025|FEMA Number 3025|Fuminaru|Natrium benzoicum|Natriumbenzoat|Purox S|Sobenate|UNII-OJ245FE5EU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020140
ERPathway2016 ERPathway2016_1517 Sodium benzoate 532-32-1 DTXSID1020140 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C(=O)C1=CC=CC=C1 Sodium benzoate 532-32-1|Sodium benzoate|Antimol|Benzoan sodny|Benzoate de sodium|Benzoate of soda|Benzoate sodium|Benzoate, sodium|benzoato de sodio|Benzoesaeure (na-salz)|Benzoic acid sodium salt|Benzoic acid, sodium salt|Benzoic acid, sodium salt (1:1)|Caswell No. 746|E211|EINECS 208-534-8|EPA Pesticide Chemical Code 009103|FEMA No. 3025|FEMA Number 3025|Fuminaru|Natrium benzoicum|Natriumbenzoat|Purox S|Sobenate|UNII-OJ245FE5EU https://comptox.epa.gov/dashboard/chemical/details/DTXSID1020140
ARPathway2016 ARPathway2016_1553 Sodium chlorite 7758-19-2 DTXSID8021272 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-][Cl]=O Sodium chlorite 7758-19-2|Sodium chlorite|Alcide LD|Caswell No. 755|Chlorite de sodium|Chlorite sodium|Chlorous acid, sodium salt|Chlorous acid, sodium salt (1:1)|clorito de sodio|Dioxychlor|EINECS 231-836-6|EPA Pesticide Chemical Code 020502|NaClO2|NaO2Cl|Natriumchlorit|Neo Silox D|Silbrite 80|Textile|Textone|UN 1496|UN 1908|UNII-G538EBV4VF|1352826-56-2|66554-51-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021272 https://doi.org/10.22427/NTP-DATA-DTXSID8021272
ARPathway2016 ARPathway2016_1553 Sodium chlorite 7758-19-2 DTXSID8021272 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-][Cl]=O Sodium chlorite 7758-19-2|Sodium chlorite|Alcide LD|Caswell No. 755|Chlorite de sodium|Chlorite sodium|Chlorous acid, sodium salt|Chlorous acid, sodium salt (1:1)|clorito de sodio|Dioxychlor|EINECS 231-836-6|EPA Pesticide Chemical Code 020502|NaClO2|NaO2Cl|Natriumchlorit|Neo Silox D|Silbrite 80|Textile|Textone|UN 1496|UN 1908|UNII-G538EBV4VF|1352826-56-2|66554-51-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021272 https://doi.org/10.22427/NTP-DATA-DTXSID8021272
ARPathway2016 ARPathway2016_1553 Sodium chlorite 7758-19-2 DTXSID8021272 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-][Cl]=O Sodium chlorite 7758-19-2|Sodium chlorite|Alcide LD|Caswell No. 755|Chlorite de sodium|Chlorite sodium|Chlorous acid, sodium salt|Chlorous acid, sodium salt (1:1)|clorito de sodio|Dioxychlor|EINECS 231-836-6|EPA Pesticide Chemical Code 020502|NaClO2|NaO2Cl|Natriumchlorit|Neo Silox D|Silbrite 80|Textile|Textone|UN 1496|UN 1908|UNII-G538EBV4VF|1352826-56-2|66554-51-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021272 https://doi.org/10.22427/NTP-DATA-DTXSID8021272
ARPathway2016 ARPathway2016_1553 Sodium chlorite 7758-19-2 DTXSID8021272 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[O-][Cl]=O Sodium chlorite 7758-19-2|Sodium chlorite|Alcide LD|Caswell No. 755|Chlorite de sodium|Chlorite sodium|Chlorous acid, sodium salt|Chlorous acid, sodium salt (1:1)|clorito de sodio|Dioxychlor|EINECS 231-836-6|EPA Pesticide Chemical Code 020502|NaClO2|NaO2Cl|Natriumchlorit|Neo Silox D|Silbrite 80|Textile|Textone|UN 1496|UN 1908|UNII-G538EBV4VF|1352826-56-2|66554-51-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021272 https://doi.org/10.22427/NTP-DATA-DTXSID8021272
ARPathway2016 ARPathway2016_1188 Sodium chloroacetate 3926-62-3 DTXSID1027550 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C(=O)CCl Sodium chloroacetate 3926-62-3|Sodium chloroacetate|ACETATE, CHLORO-, SODIUM|Acetic acid, 2-chloro-, sodium salt (1:1)|Acetic acid, chloro-, sodium salt|Caswell No. 755A|Chloroacetate de sodium|Chloroacetic acid sodium salt|CHLOROACETIC ACID, SODIUM SALT|Chloroctan sodny|cloroacetato de sodio|Dow defoliant|EINECS 223-498-3|EPA Pesticide Chemical Code 355200|Monochloroacetic acid sodium salt|Monoxone|Natriumchloracetat|Sodium 2-chloroacetate|sodium chloroacetate C2H3C102.Na|Sodium chloroethanoate|Sodium monochloracetate|Sodium monochloroacetate|Sodium a-chloroacetate|UN 2659|UNII-8D9PZU6L69 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027550
ARPathway2016 ARPathway2016_1188 Sodium chloroacetate 3926-62-3 DTXSID1027550 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C(=O)CCl Sodium chloroacetate 3926-62-3|Sodium chloroacetate|ACETATE, CHLORO-, SODIUM|Acetic acid, 2-chloro-, sodium salt (1:1)|Acetic acid, chloro-, sodium salt|Caswell No. 755A|Chloroacetate de sodium|Chloroacetic acid sodium salt|CHLOROACETIC ACID, SODIUM SALT|Chloroctan sodny|cloroacetato de sodio|Dow defoliant|EINECS 223-498-3|EPA Pesticide Chemical Code 355200|Monochloroacetic acid sodium salt|Monoxone|Natriumchloracetat|Sodium 2-chloroacetate|sodium chloroacetate C2H3C102.Na|Sodium chloroethanoate|Sodium monochloracetate|Sodium monochloroacetate|Sodium a-chloroacetate|UN 2659|UNII-8D9PZU6L69 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027550
ARPathway2016 ARPathway2016_1188 Sodium chloroacetate 3926-62-3 DTXSID1027550 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C(=O)CCl Sodium chloroacetate 3926-62-3|Sodium chloroacetate|ACETATE, CHLORO-, SODIUM|Acetic acid, 2-chloro-, sodium salt (1:1)|Acetic acid, chloro-, sodium salt|Caswell No. 755A|Chloroacetate de sodium|Chloroacetic acid sodium salt|CHLOROACETIC ACID, SODIUM SALT|Chloroctan sodny|cloroacetato de sodio|Dow defoliant|EINECS 223-498-3|EPA Pesticide Chemical Code 355200|Monochloroacetic acid sodium salt|Monoxone|Natriumchloracetat|Sodium 2-chloroacetate|sodium chloroacetate C2H3C102.Na|Sodium chloroethanoate|Sodium monochloracetate|Sodium monochloroacetate|Sodium a-chloroacetate|UN 2659|UNII-8D9PZU6L69 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027550
ARPathway2016 ARPathway2016_1188 Sodium chloroacetate 3926-62-3 DTXSID1027550 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C(=O)CCl Sodium chloroacetate 3926-62-3|Sodium chloroacetate|ACETATE, CHLORO-, SODIUM|Acetic acid, 2-chloro-, sodium salt (1:1)|Acetic acid, chloro-, sodium salt|Caswell No. 755A|Chloroacetate de sodium|Chloroacetic acid sodium salt|CHLOROACETIC ACID, SODIUM SALT|Chloroctan sodny|cloroacetato de sodio|Dow defoliant|EINECS 223-498-3|EPA Pesticide Chemical Code 355200|Monochloroacetic acid sodium salt|Monoxone|Natriumchloracetat|Sodium 2-chloroacetate|sodium chloroacetate C2H3C102.Na|Sodium chloroethanoate|Sodium monochloracetate|Sodium monochloroacetate|Sodium a-chloroacetate|UN 2659|UNII-8D9PZU6L69 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027550
ERPathway2016 ERPathway2016_1477 Sodium chloroacetate 3926-62-3 DTXSID1027550 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C(=O)CCl Sodium chloroacetate 3926-62-3|Sodium chloroacetate|ACETATE, CHLORO-, SODIUM|Acetic acid, 2-chloro-, sodium salt (1:1)|Acetic acid, chloro-, sodium salt|Caswell No. 755A|Chloroacetate de sodium|Chloroacetic acid sodium salt|CHLOROACETIC ACID, SODIUM SALT|Chloroctan sodny|cloroacetato de sodio|Dow defoliant|EINECS 223-498-3|EPA Pesticide Chemical Code 355200|Monochloroacetic acid sodium salt|Monoxone|Natriumchloracetat|Sodium 2-chloroacetate|sodium chloroacetate C2H3C102.Na|Sodium chloroethanoate|Sodium monochloracetate|Sodium monochloroacetate|Sodium a-chloroacetate|UN 2659|UNII-8D9PZU6L69 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027550
ERPathway2016 ERPathway2016_1477 Sodium chloroacetate 3926-62-3 DTXSID1027550 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C(=O)CCl Sodium chloroacetate 3926-62-3|Sodium chloroacetate|ACETATE, CHLORO-, SODIUM|Acetic acid, 2-chloro-, sodium salt (1:1)|Acetic acid, chloro-, sodium salt|Caswell No. 755A|Chloroacetate de sodium|Chloroacetic acid sodium salt|CHLOROACETIC ACID, SODIUM SALT|Chloroctan sodny|cloroacetato de sodio|Dow defoliant|EINECS 223-498-3|EPA Pesticide Chemical Code 355200|Monochloroacetic acid sodium salt|Monoxone|Natriumchloracetat|Sodium 2-chloroacetate|sodium chloroacetate C2H3C102.Na|Sodium chloroethanoate|Sodium monochloracetate|Sodium monochloroacetate|Sodium a-chloroacetate|UN 2659|UNII-8D9PZU6L69 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027550
ERPathway2016 ERPathway2016_1477 Sodium chloroacetate 3926-62-3 DTXSID1027550 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C(=O)CCl Sodium chloroacetate 3926-62-3|Sodium chloroacetate|ACETATE, CHLORO-, SODIUM|Acetic acid, 2-chloro-, sodium salt (1:1)|Acetic acid, chloro-, sodium salt|Caswell No. 755A|Chloroacetate de sodium|Chloroacetic acid sodium salt|CHLOROACETIC ACID, SODIUM SALT|Chloroctan sodny|cloroacetato de sodio|Dow defoliant|EINECS 223-498-3|EPA Pesticide Chemical Code 355200|Monochloroacetic acid sodium salt|Monoxone|Natriumchloracetat|Sodium 2-chloroacetate|sodium chloroacetate C2H3C102.Na|Sodium chloroethanoate|Sodium monochloracetate|Sodium monochloroacetate|Sodium a-chloroacetate|UN 2659|UNII-8D9PZU6L69 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027550
ERPathway2016 ERPathway2016_1477 Sodium chloroacetate 3926-62-3 DTXSID1027550 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C(=O)CCl Sodium chloroacetate 3926-62-3|Sodium chloroacetate|ACETATE, CHLORO-, SODIUM|Acetic acid, 2-chloro-, sodium salt (1:1)|Acetic acid, chloro-, sodium salt|Caswell No. 755A|Chloroacetate de sodium|Chloroacetic acid sodium salt|CHLOROACETIC ACID, SODIUM SALT|Chloroctan sodny|cloroacetato de sodio|Dow defoliant|EINECS 223-498-3|EPA Pesticide Chemical Code 355200|Monochloroacetic acid sodium salt|Monoxone|Natriumchloracetat|Sodium 2-chloroacetate|sodium chloroacetate C2H3C102.Na|Sodium chloroethanoate|Sodium monochloracetate|Sodium monochloroacetate|Sodium a-chloroacetate|UN 2659|UNII-8D9PZU6L69 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027550
ARPathway2016 ARPathway2016_848 Sodium decyl sulfate 142-87-0 DTXSID4036229 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCCCCCCCOS([O-])(=O)=O Sodium decyl sulfate 142-87-0|Sodium decyl sulfate|Avirol 110|Compound 132D|Decyl sodium sulfate|Decyl sulfate sodium salt|DECYL SULFATE, SODIUM|DSS (surfactant)|EINECS 205-568-5|Emal 3F|NATRIUM-DECYL-SULFAT|Natriumdecylsulfat|Pentrone DN|Polystep B 25|SDeS|Sodium capryl sulfate|sodium decyl sulphate|Sodium hydrogen sulfate decyl ester|Sodium n-decyl sulfate|Sulfate de sodium et de decyle|sulfato de sodio y decilo|Sulfochem NADS|Sulfotex 110|Sulfuric acid monodecyl ester sodium salt|Sulfuric acid, monodecyl ester, sodium salt|Sulfuric acid, monodecyl ester, sodium salt (1:1)|Sulfuric acid,monodecyl ester, sodium salt|UNII-AL92M833SY https://comptox.epa.gov/dashboard/chemical/details/DTXSID4036229
ARPathway2016 ARPathway2016_848 Sodium decyl sulfate 142-87-0 DTXSID4036229 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCCCCCCCOS([O-])(=O)=O Sodium decyl sulfate 142-87-0|Sodium decyl sulfate|Avirol 110|Compound 132D|Decyl sodium sulfate|Decyl sulfate sodium salt|DECYL SULFATE, SODIUM|DSS (surfactant)|EINECS 205-568-5|Emal 3F|NATRIUM-DECYL-SULFAT|Natriumdecylsulfat|Pentrone DN|Polystep B 25|SDeS|Sodium capryl sulfate|sodium decyl sulphate|Sodium hydrogen sulfate decyl ester|Sodium n-decyl sulfate|Sulfate de sodium et de decyle|sulfato de sodio y decilo|Sulfochem NADS|Sulfotex 110|Sulfuric acid monodecyl ester sodium salt|Sulfuric acid, monodecyl ester, sodium salt|Sulfuric acid, monodecyl ester, sodium salt (1:1)|Sulfuric acid,monodecyl ester, sodium salt|UNII-AL92M833SY https://comptox.epa.gov/dashboard/chemical/details/DTXSID4036229
ARPathway2016 ARPathway2016_848 Sodium decyl sulfate 142-87-0 DTXSID4036229 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCCCCCCCOS([O-])(=O)=O Sodium decyl sulfate 142-87-0|Sodium decyl sulfate|Avirol 110|Compound 132D|Decyl sodium sulfate|Decyl sulfate sodium salt|DECYL SULFATE, SODIUM|DSS (surfactant)|EINECS 205-568-5|Emal 3F|NATRIUM-DECYL-SULFAT|Natriumdecylsulfat|Pentrone DN|Polystep B 25|SDeS|Sodium capryl sulfate|sodium decyl sulphate|Sodium hydrogen sulfate decyl ester|Sodium n-decyl sulfate|Sulfate de sodium et de decyle|sulfato de sodio y decilo|Sulfochem NADS|Sulfotex 110|Sulfuric acid monodecyl ester sodium salt|Sulfuric acid, monodecyl ester, sodium salt|Sulfuric acid, monodecyl ester, sodium salt (1:1)|Sulfuric acid,monodecyl ester, sodium salt|UNII-AL92M833SY https://comptox.epa.gov/dashboard/chemical/details/DTXSID4036229
ARPathway2016 ARPathway2016_848 Sodium decyl sulfate 142-87-0 DTXSID4036229 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCCCOS([O-])(=O)=O Sodium decyl sulfate 142-87-0|Sodium decyl sulfate|Avirol 110|Compound 132D|Decyl sodium sulfate|Decyl sulfate sodium salt|DECYL SULFATE, SODIUM|DSS (surfactant)|EINECS 205-568-5|Emal 3F|NATRIUM-DECYL-SULFAT|Natriumdecylsulfat|Pentrone DN|Polystep B 25|SDeS|Sodium capryl sulfate|sodium decyl sulphate|Sodium hydrogen sulfate decyl ester|Sodium n-decyl sulfate|Sulfate de sodium et de decyle|sulfato de sodio y decilo|Sulfochem NADS|Sulfotex 110|Sulfuric acid monodecyl ester sodium salt|Sulfuric acid, monodecyl ester, sodium salt|Sulfuric acid, monodecyl ester, sodium salt (1:1)|Sulfuric acid,monodecyl ester, sodium salt|UNII-AL92M833SY https://comptox.epa.gov/dashboard/chemical/details/DTXSID4036229
ERPathway2016 ERPathway2016_1304 Sodium decyl sulfate 142-87-0 DTXSID4036229 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCCCCCCCOS([O-])(=O)=O Sodium decyl sulfate 142-87-0|Sodium decyl sulfate|Avirol 110|Compound 132D|Decyl sodium sulfate|Decyl sulfate sodium salt|DECYL SULFATE, SODIUM|DSS (surfactant)|EINECS 205-568-5|Emal 3F|NATRIUM-DECYL-SULFAT|Natriumdecylsulfat|Pentrone DN|Polystep B 25|SDeS|Sodium capryl sulfate|sodium decyl sulphate|Sodium hydrogen sulfate decyl ester|Sodium n-decyl sulfate|Sulfate de sodium et de decyle|sulfato de sodio y decilo|Sulfochem NADS|Sulfotex 110|Sulfuric acid monodecyl ester sodium salt|Sulfuric acid, monodecyl ester, sodium salt|Sulfuric acid, monodecyl ester, sodium salt (1:1)|Sulfuric acid,monodecyl ester, sodium salt|UNII-AL92M833SY https://comptox.epa.gov/dashboard/chemical/details/DTXSID4036229
ERPathway2016 ERPathway2016_1304 Sodium decyl sulfate 142-87-0 DTXSID4036229 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCCCCCCCOS([O-])(=O)=O Sodium decyl sulfate 142-87-0|Sodium decyl sulfate|Avirol 110|Compound 132D|Decyl sodium sulfate|Decyl sulfate sodium salt|DECYL SULFATE, SODIUM|DSS (surfactant)|EINECS 205-568-5|Emal 3F|NATRIUM-DECYL-SULFAT|Natriumdecylsulfat|Pentrone DN|Polystep B 25|SDeS|Sodium capryl sulfate|sodium decyl sulphate|Sodium hydrogen sulfate decyl ester|Sodium n-decyl sulfate|Sulfate de sodium et de decyle|sulfato de sodio y decilo|Sulfochem NADS|Sulfotex 110|Sulfuric acid monodecyl ester sodium salt|Sulfuric acid, monodecyl ester, sodium salt|Sulfuric acid, monodecyl ester, sodium salt (1:1)|Sulfuric acid,monodecyl ester, sodium salt|UNII-AL92M833SY https://comptox.epa.gov/dashboard/chemical/details/DTXSID4036229
ERPathway2016 ERPathway2016_1304 Sodium decyl sulfate 142-87-0 DTXSID4036229 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCCCCCCCOS([O-])(=O)=O Sodium decyl sulfate 142-87-0|Sodium decyl sulfate|Avirol 110|Compound 132D|Decyl sodium sulfate|Decyl sulfate sodium salt|DECYL SULFATE, SODIUM|DSS (surfactant)|EINECS 205-568-5|Emal 3F|NATRIUM-DECYL-SULFAT|Natriumdecylsulfat|Pentrone DN|Polystep B 25|SDeS|Sodium capryl sulfate|sodium decyl sulphate|Sodium hydrogen sulfate decyl ester|Sodium n-decyl sulfate|Sulfate de sodium et de decyle|sulfato de sodio y decilo|Sulfochem NADS|Sulfotex 110|Sulfuric acid monodecyl ester sodium salt|Sulfuric acid, monodecyl ester, sodium salt|Sulfuric acid, monodecyl ester, sodium salt (1:1)|Sulfuric acid,monodecyl ester, sodium salt|UNII-AL92M833SY https://comptox.epa.gov/dashboard/chemical/details/DTXSID4036229
ERPathway2016 ERPathway2016_1304 Sodium decyl sulfate 142-87-0 DTXSID4036229 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCCCOS([O-])(=O)=O Sodium decyl sulfate 142-87-0|Sodium decyl sulfate|Avirol 110|Compound 132D|Decyl sodium sulfate|Decyl sulfate sodium salt|DECYL SULFATE, SODIUM|DSS (surfactant)|EINECS 205-568-5|Emal 3F|NATRIUM-DECYL-SULFAT|Natriumdecylsulfat|Pentrone DN|Polystep B 25|SDeS|Sodium capryl sulfate|sodium decyl sulphate|Sodium hydrogen sulfate decyl ester|Sodium n-decyl sulfate|Sulfate de sodium et de decyle|sulfato de sodio y decilo|Sulfochem NADS|Sulfotex 110|Sulfuric acid monodecyl ester sodium salt|Sulfuric acid, monodecyl ester, sodium salt|Sulfuric acid, monodecyl ester, sodium salt (1:1)|Sulfuric acid,monodecyl ester, sodium salt|UNII-AL92M833SY https://comptox.epa.gov/dashboard/chemical/details/DTXSID4036229
ARPathway2016 ARPathway2016_1208 Sodium dehydroacetate 4418-26-2 DTXSID7026029 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC([O-])=C1/C(=O)OC(C)=CC1=O Sodium dehydroacetate 4418-26-2|Sodium dehydroacetate|1-(3,4-dihidro-6-metil-2,4-dioxo-2H-piran-3-iliden)etanolato de sodio|1-(3,4-Dihydro-6-methyl-2,4-dioxo-2H-pyran-3-ylidene)ethanolate de sodium|1-(3,4-dihydro-6-methyl-2,4-dioxo-2H-pyranne-3-ylidene)ethanolate de sodium|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium (1:1)|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium salt|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, sodium salt|3-(1-Hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione, sodium salt|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium salt|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione, ion(1-), sodium|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, d-lactone, sodium deriv.|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo, delta-lactone, sodium derivative|Caswell No. 278A|DEHYDRACETSAEURE-NA-SALZ|DEHYDROACETIC ACID SODIUM SALT|Dehydroacetic acid, sodium deriv.|Dehydroacetic acid, sodium salt|DHA-sodium|EINECS 224-580-1|EPA Pesticide Ch|20330-10-3|56172-68-0|6381-84-6|71756-27-9|74240-24-7|78891-90-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026029 https://doi.org/10.22427/NTP-DATA-DTXSID7026029
ARPathway2016 ARPathway2016_1208 Sodium dehydroacetate 4418-26-2 DTXSID7026029 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CC([O-])=C1/C(=O)OC(C)=CC1=O Sodium dehydroacetate 4418-26-2|Sodium dehydroacetate|1-(3,4-dihidro-6-metil-2,4-dioxo-2H-piran-3-iliden)etanolato de sodio|1-(3,4-Dihydro-6-methyl-2,4-dioxo-2H-pyran-3-ylidene)ethanolate de sodium|1-(3,4-dihydro-6-methyl-2,4-dioxo-2H-pyranne-3-ylidene)ethanolate de sodium|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium (1:1)|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium salt|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, sodium salt|3-(1-Hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione, sodium salt|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium salt|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione, ion(1-), sodium|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, d-lactone, sodium deriv.|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo, delta-lactone, sodium derivative|Caswell No. 278A|DEHYDRACETSAEURE-NA-SALZ|DEHYDROACETIC ACID SODIUM SALT|Dehydroacetic acid, sodium deriv.|Dehydroacetic acid, sodium salt|DHA-sodium|EINECS 224-580-1|EPA Pesticide Ch|20330-10-3|56172-68-0|6381-84-6|71756-27-9|74240-24-7|78891-90-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026029 https://doi.org/10.22427/NTP-DATA-DTXSID7026029
ARPathway2016 ARPathway2016_1208 Sodium dehydroacetate 4418-26-2 DTXSID7026029 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CC([O-])=C1/C(=O)OC(C)=CC1=O Sodium dehydroacetate 4418-26-2|Sodium dehydroacetate|1-(3,4-dihidro-6-metil-2,4-dioxo-2H-piran-3-iliden)etanolato de sodio|1-(3,4-Dihydro-6-methyl-2,4-dioxo-2H-pyran-3-ylidene)ethanolate de sodium|1-(3,4-dihydro-6-methyl-2,4-dioxo-2H-pyranne-3-ylidene)ethanolate de sodium|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium (1:1)|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium salt|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, sodium salt|3-(1-Hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione, sodium salt|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium salt|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione, ion(1-), sodium|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, d-lactone, sodium deriv.|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo, delta-lactone, sodium derivative|Caswell No. 278A|DEHYDRACETSAEURE-NA-SALZ|DEHYDROACETIC ACID SODIUM SALT|Dehydroacetic acid, sodium deriv.|Dehydroacetic acid, sodium salt|DHA-sodium|EINECS 224-580-1|EPA Pesticide Ch|20330-10-3|56172-68-0|6381-84-6|71756-27-9|74240-24-7|78891-90-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026029 https://doi.org/10.22427/NTP-DATA-DTXSID7026029
ARPathway2016 ARPathway2016_1208 Sodium dehydroacetate 4418-26-2 DTXSID7026029 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CC([O-])=C1/C(=O)OC(C)=CC1=O Sodium dehydroacetate 4418-26-2|Sodium dehydroacetate|1-(3,4-dihidro-6-metil-2,4-dioxo-2H-piran-3-iliden)etanolato de sodio|1-(3,4-Dihydro-6-methyl-2,4-dioxo-2H-pyran-3-ylidene)ethanolate de sodium|1-(3,4-dihydro-6-methyl-2,4-dioxo-2H-pyranne-3-ylidene)ethanolate de sodium|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium (1:1)|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium salt|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, sodium salt|3-(1-Hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione, sodium salt|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium salt|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione, ion(1-), sodium|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, d-lactone, sodium deriv.|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo, delta-lactone, sodium derivative|Caswell No. 278A|DEHYDRACETSAEURE-NA-SALZ|DEHYDROACETIC ACID SODIUM SALT|Dehydroacetic acid, sodium deriv.|Dehydroacetic acid, sodium salt|DHA-sodium|EINECS 224-580-1|EPA Pesticide Ch|20330-10-3|56172-68-0|6381-84-6|71756-27-9|74240-24-7|78891-90-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026029 https://doi.org/10.22427/NTP-DATA-DTXSID7026029
ERPathway2016 ERPathway2016_963 Sodium dehydroacetate 4418-26-2 DTXSID7026029 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CC([O-])=C1/C(=O)OC(C)=CC1=O Sodium dehydroacetate 4418-26-2|Sodium dehydroacetate|1-(3,4-dihidro-6-metil-2,4-dioxo-2H-piran-3-iliden)etanolato de sodio|1-(3,4-Dihydro-6-methyl-2,4-dioxo-2H-pyran-3-ylidene)ethanolate de sodium|1-(3,4-dihydro-6-methyl-2,4-dioxo-2H-pyranne-3-ylidene)ethanolate de sodium|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium (1:1)|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium salt|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, sodium salt|3-(1-Hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione, sodium salt|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium salt|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione, ion(1-), sodium|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, d-lactone, sodium deriv.|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo, delta-lactone, sodium derivative|Caswell No. 278A|DEHYDRACETSAEURE-NA-SALZ|DEHYDROACETIC ACID SODIUM SALT|Dehydroacetic acid, sodium deriv.|Dehydroacetic acid, sodium salt|DHA-sodium|EINECS 224-580-1|EPA Pesticide Ch|20330-10-3|56172-68-0|6381-84-6|71756-27-9|74240-24-7|78891-90-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026029 https://doi.org/10.22427/NTP-DATA-DTXSID7026029
ERPathway2016 ERPathway2016_963 Sodium dehydroacetate 4418-26-2 DTXSID7026029 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC([O-])=C1/C(=O)OC(C)=CC1=O Sodium dehydroacetate 4418-26-2|Sodium dehydroacetate|1-(3,4-dihidro-6-metil-2,4-dioxo-2H-piran-3-iliden)etanolato de sodio|1-(3,4-Dihydro-6-methyl-2,4-dioxo-2H-pyran-3-ylidene)ethanolate de sodium|1-(3,4-dihydro-6-methyl-2,4-dioxo-2H-pyranne-3-ylidene)ethanolate de sodium|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium (1:1)|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium salt|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, sodium salt|3-(1-Hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione, sodium salt|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium salt|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione, ion(1-), sodium|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, d-lactone, sodium deriv.|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo, delta-lactone, sodium derivative|Caswell No. 278A|DEHYDRACETSAEURE-NA-SALZ|DEHYDROACETIC ACID SODIUM SALT|Dehydroacetic acid, sodium deriv.|Dehydroacetic acid, sodium salt|DHA-sodium|EINECS 224-580-1|EPA Pesticide Ch|20330-10-3|56172-68-0|6381-84-6|71756-27-9|74240-24-7|78891-90-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026029 https://doi.org/10.22427/NTP-DATA-DTXSID7026029
ERPathway2016 ERPathway2016_963 Sodium dehydroacetate 4418-26-2 DTXSID7026029 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CC([O-])=C1/C(=O)OC(C)=CC1=O Sodium dehydroacetate 4418-26-2|Sodium dehydroacetate|1-(3,4-dihidro-6-metil-2,4-dioxo-2H-piran-3-iliden)etanolato de sodio|1-(3,4-Dihydro-6-methyl-2,4-dioxo-2H-pyran-3-ylidene)ethanolate de sodium|1-(3,4-dihydro-6-methyl-2,4-dioxo-2H-pyranne-3-ylidene)ethanolate de sodium|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium (1:1)|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium salt|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, sodium salt|3-(1-Hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione, sodium salt|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium salt|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione, ion(1-), sodium|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, d-lactone, sodium deriv.|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo, delta-lactone, sodium derivative|Caswell No. 278A|DEHYDRACETSAEURE-NA-SALZ|DEHYDROACETIC ACID SODIUM SALT|Dehydroacetic acid, sodium deriv.|Dehydroacetic acid, sodium salt|DHA-sodium|EINECS 224-580-1|EPA Pesticide Ch|20330-10-3|56172-68-0|6381-84-6|71756-27-9|74240-24-7|78891-90-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026029 https://doi.org/10.22427/NTP-DATA-DTXSID7026029
ERPathway2016 ERPathway2016_963 Sodium dehydroacetate 4418-26-2 DTXSID7026029 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CC([O-])=C1/C(=O)OC(C)=CC1=O Sodium dehydroacetate 4418-26-2|Sodium dehydroacetate|1-(3,4-dihidro-6-metil-2,4-dioxo-2H-piran-3-iliden)etanolato de sodio|1-(3,4-Dihydro-6-methyl-2,4-dioxo-2H-pyran-3-ylidene)ethanolate de sodium|1-(3,4-dihydro-6-methyl-2,4-dioxo-2H-pyranne-3-ylidene)ethanolate de sodium|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium (1:1)|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium salt|2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, sodium salt|3-(1-Hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione, sodium salt|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium salt|3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione, ion(1-), sodium|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, d-lactone, sodium deriv.|4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo, delta-lactone, sodium derivative|Caswell No. 278A|DEHYDRACETSAEURE-NA-SALZ|DEHYDROACETIC ACID SODIUM SALT|Dehydroacetic acid, sodium deriv.|Dehydroacetic acid, sodium salt|DHA-sodium|EINECS 224-580-1|EPA Pesticide Ch|20330-10-3|56172-68-0|6381-84-6|71756-27-9|74240-24-7|78891-90-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026029 https://doi.org/10.22427/NTP-DATA-DTXSID7026029
ARPathway2016 ARPathway2016_1106 Sodium dichloroisocyanurate 2893-78-9 DTXSID3024994 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Sodium dichloroisocyanurate 2893-78-9|Sodium dichloroisocyanurate|1-Sodium-3,5-dichloro-1,3,5-triazine-2,4,6-trione|1-Sodium-3,5-dichloro-s-triazine-2,4,6-trione|1,3-Dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione sodium salt|1,3,5-Triazine-2,4,6-(1H,3H,5H)-trione.1,3-dicloro-,sodium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt (1:1)|3,5-Dichloro-2-hydroxy-4,6-s-triazinedione sodium salt|Actisan|Basolan DC|Caswell No. 759|CDB Clearon|Clearon|Clearon CDB|Clearon CDB 56|Dichloro-s-triazine-2,4,6-trione, sodium salt|Dichloro-s-triazinetrione sodium salt|Dichloroisocyanurate sodium|DICHLOROISOCYANURATE, SODIUM|Dichloroisocyanuric acid sodium salt|Dichloroisocyanuric acid, sodium salt|Dichlorosymtriazine-2,4,6(1H,3H,5H)trione sodium derivative|Dichlosia|Dikonit|Dimanin C|EINECS 220-767-7|EPA Pesticide Chemical Code 081404|Fi Clor 60S|Fi Clor Clearon|Fichlor|Hi-Lite 60C|Hi-Lite 60G|Hi-Lite G 60GW|ISOCYANURATE, DICHLORO-, SODIUM|Isocyanuric acid, dichloro-, sodium salt|Izosan G|NATRIUMDICHLO|10119-30-9|12676-23-2|13023-28-4|16499-74-4|200401-83-8|25717-18-4|76560-28-6|81918-50-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024994 https://doi.org/10.22427/NTP-DATA-DTXSID3024994
ARPathway2016 ARPathway2016_1106 Sodium dichloroisocyanurate 2893-78-9 DTXSID3024994 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Sodium dichloroisocyanurate 2893-78-9|Sodium dichloroisocyanurate|1-Sodium-3,5-dichloro-1,3,5-triazine-2,4,6-trione|1-Sodium-3,5-dichloro-s-triazine-2,4,6-trione|1,3-Dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione sodium salt|1,3,5-Triazine-2,4,6-(1H,3H,5H)-trione.1,3-dicloro-,sodium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt (1:1)|3,5-Dichloro-2-hydroxy-4,6-s-triazinedione sodium salt|Actisan|Basolan DC|Caswell No. 759|CDB Clearon|Clearon|Clearon CDB|Clearon CDB 56|Dichloro-s-triazine-2,4,6-trione, sodium salt|Dichloro-s-triazinetrione sodium salt|Dichloroisocyanurate sodium|DICHLOROISOCYANURATE, SODIUM|Dichloroisocyanuric acid sodium salt|Dichloroisocyanuric acid, sodium salt|Dichlorosymtriazine-2,4,6(1H,3H,5H)trione sodium derivative|Dichlosia|Dikonit|Dimanin C|EINECS 220-767-7|EPA Pesticide Chemical Code 081404|Fi Clor 60S|Fi Clor Clearon|Fichlor|Hi-Lite 60C|Hi-Lite 60G|Hi-Lite G 60GW|ISOCYANURATE, DICHLORO-, SODIUM|Isocyanuric acid, dichloro-, sodium salt|Izosan G|NATRIUMDICHLO|10119-30-9|12676-23-2|13023-28-4|16499-74-4|200401-83-8|25717-18-4|76560-28-6|81918-50-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024994 https://doi.org/10.22427/NTP-DATA-DTXSID3024994
ARPathway2016 ARPathway2016_1106 Sodium dichloroisocyanurate 2893-78-9 DTXSID3024994 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Sodium dichloroisocyanurate 2893-78-9|Sodium dichloroisocyanurate|1-Sodium-3,5-dichloro-1,3,5-triazine-2,4,6-trione|1-Sodium-3,5-dichloro-s-triazine-2,4,6-trione|1,3-Dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione sodium salt|1,3,5-Triazine-2,4,6-(1H,3H,5H)-trione.1,3-dicloro-,sodium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt (1:1)|3,5-Dichloro-2-hydroxy-4,6-s-triazinedione sodium salt|Actisan|Basolan DC|Caswell No. 759|CDB Clearon|Clearon|Clearon CDB|Clearon CDB 56|Dichloro-s-triazine-2,4,6-trione, sodium salt|Dichloro-s-triazinetrione sodium salt|Dichloroisocyanurate sodium|DICHLOROISOCYANURATE, SODIUM|Dichloroisocyanuric acid sodium salt|Dichloroisocyanuric acid, sodium salt|Dichlorosymtriazine-2,4,6(1H,3H,5H)trione sodium derivative|Dichlosia|Dikonit|Dimanin C|EINECS 220-767-7|EPA Pesticide Chemical Code 081404|Fi Clor 60S|Fi Clor Clearon|Fichlor|Hi-Lite 60C|Hi-Lite 60G|Hi-Lite G 60GW|ISOCYANURATE, DICHLORO-, SODIUM|Isocyanuric acid, dichloro-, sodium salt|Izosan G|NATRIUMDICHLO|10119-30-9|12676-23-2|13023-28-4|16499-74-4|200401-83-8|25717-18-4|76560-28-6|81918-50-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024994 https://doi.org/10.22427/NTP-DATA-DTXSID3024994
ARPathway2016 ARPathway2016_1106 Sodium dichloroisocyanurate 2893-78-9 DTXSID3024994 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Sodium dichloroisocyanurate 2893-78-9|Sodium dichloroisocyanurate|1-Sodium-3,5-dichloro-1,3,5-triazine-2,4,6-trione|1-Sodium-3,5-dichloro-s-triazine-2,4,6-trione|1,3-Dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione sodium salt|1,3,5-Triazine-2,4,6-(1H,3H,5H)-trione.1,3-dicloro-,sodium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt (1:1)|3,5-Dichloro-2-hydroxy-4,6-s-triazinedione sodium salt|Actisan|Basolan DC|Caswell No. 759|CDB Clearon|Clearon|Clearon CDB|Clearon CDB 56|Dichloro-s-triazine-2,4,6-trione, sodium salt|Dichloro-s-triazinetrione sodium salt|Dichloroisocyanurate sodium|DICHLOROISOCYANURATE, SODIUM|Dichloroisocyanuric acid sodium salt|Dichloroisocyanuric acid, sodium salt|Dichlorosymtriazine-2,4,6(1H,3H,5H)trione sodium derivative|Dichlosia|Dikonit|Dimanin C|EINECS 220-767-7|EPA Pesticide Chemical Code 081404|Fi Clor 60S|Fi Clor Clearon|Fichlor|Hi-Lite 60C|Hi-Lite 60G|Hi-Lite G 60GW|ISOCYANURATE, DICHLORO-, SODIUM|Isocyanuric acid, dichloro-, sodium salt|Izosan G|NATRIUMDICHLO|10119-30-9|12676-23-2|13023-28-4|16499-74-4|200401-83-8|25717-18-4|76560-28-6|81918-50-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024994 https://doi.org/10.22427/NTP-DATA-DTXSID3024994
ERPathway2016 ERPathway2016_1431 Sodium dichloroisocyanurate 2893-78-9 DTXSID3024994 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Sodium dichloroisocyanurate 2893-78-9|Sodium dichloroisocyanurate|1-Sodium-3,5-dichloro-1,3,5-triazine-2,4,6-trione|1-Sodium-3,5-dichloro-s-triazine-2,4,6-trione|1,3-Dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione sodium salt|1,3,5-Triazine-2,4,6-(1H,3H,5H)-trione.1,3-dicloro-,sodium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt (1:1)|3,5-Dichloro-2-hydroxy-4,6-s-triazinedione sodium salt|Actisan|Basolan DC|Caswell No. 759|CDB Clearon|Clearon|Clearon CDB|Clearon CDB 56|Dichloro-s-triazine-2,4,6-trione, sodium salt|Dichloro-s-triazinetrione sodium salt|Dichloroisocyanurate sodium|DICHLOROISOCYANURATE, SODIUM|Dichloroisocyanuric acid sodium salt|Dichloroisocyanuric acid, sodium salt|Dichlorosymtriazine-2,4,6(1H,3H,5H)trione sodium derivative|Dichlosia|Dikonit|Dimanin C|EINECS 220-767-7|EPA Pesticide Chemical Code 081404|Fi Clor 60S|Fi Clor Clearon|Fichlor|Hi-Lite 60C|Hi-Lite 60G|Hi-Lite G 60GW|ISOCYANURATE, DICHLORO-, SODIUM|Isocyanuric acid, dichloro-, sodium salt|Izosan G|NATRIUMDICHLO|10119-30-9|12676-23-2|13023-28-4|16499-74-4|200401-83-8|25717-18-4|76560-28-6|81918-50-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024994 https://doi.org/10.22427/NTP-DATA-DTXSID3024994
ERPathway2016 ERPathway2016_1431 Sodium dichloroisocyanurate 2893-78-9 DTXSID3024994 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Sodium dichloroisocyanurate 2893-78-9|Sodium dichloroisocyanurate|1-Sodium-3,5-dichloro-1,3,5-triazine-2,4,6-trione|1-Sodium-3,5-dichloro-s-triazine-2,4,6-trione|1,3-Dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione sodium salt|1,3,5-Triazine-2,4,6-(1H,3H,5H)-trione.1,3-dicloro-,sodium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt (1:1)|3,5-Dichloro-2-hydroxy-4,6-s-triazinedione sodium salt|Actisan|Basolan DC|Caswell No. 759|CDB Clearon|Clearon|Clearon CDB|Clearon CDB 56|Dichloro-s-triazine-2,4,6-trione, sodium salt|Dichloro-s-triazinetrione sodium salt|Dichloroisocyanurate sodium|DICHLOROISOCYANURATE, SODIUM|Dichloroisocyanuric acid sodium salt|Dichloroisocyanuric acid, sodium salt|Dichlorosymtriazine-2,4,6(1H,3H,5H)trione sodium derivative|Dichlosia|Dikonit|Dimanin C|EINECS 220-767-7|EPA Pesticide Chemical Code 081404|Fi Clor 60S|Fi Clor Clearon|Fichlor|Hi-Lite 60C|Hi-Lite 60G|Hi-Lite G 60GW|ISOCYANURATE, DICHLORO-, SODIUM|Isocyanuric acid, dichloro-, sodium salt|Izosan G|NATRIUMDICHLO|10119-30-9|12676-23-2|13023-28-4|16499-74-4|200401-83-8|25717-18-4|76560-28-6|81918-50-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024994 https://doi.org/10.22427/NTP-DATA-DTXSID3024994
ERPathway2016 ERPathway2016_1431 Sodium dichloroisocyanurate 2893-78-9 DTXSID3024994 ER Pathway Model, Agonist Call Inactive Unitless [Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Sodium dichloroisocyanurate 2893-78-9|Sodium dichloroisocyanurate|1-Sodium-3,5-dichloro-1,3,5-triazine-2,4,6-trione|1-Sodium-3,5-dichloro-s-triazine-2,4,6-trione|1,3-Dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione sodium salt|1,3,5-Triazine-2,4,6-(1H,3H,5H)-trione.1,3-dicloro-,sodium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt (1:1)|3,5-Dichloro-2-hydroxy-4,6-s-triazinedione sodium salt|Actisan|Basolan DC|Caswell No. 759|CDB Clearon|Clearon|Clearon CDB|Clearon CDB 56|Dichloro-s-triazine-2,4,6-trione, sodium salt|Dichloro-s-triazinetrione sodium salt|Dichloroisocyanurate sodium|DICHLOROISOCYANURATE, SODIUM|Dichloroisocyanuric acid sodium salt|Dichloroisocyanuric acid, sodium salt|Dichlorosymtriazine-2,4,6(1H,3H,5H)trione sodium derivative|Dichlosia|Dikonit|Dimanin C|EINECS 220-767-7|EPA Pesticide Chemical Code 081404|Fi Clor 60S|Fi Clor Clearon|Fichlor|Hi-Lite 60C|Hi-Lite 60G|Hi-Lite G 60GW|ISOCYANURATE, DICHLORO-, SODIUM|Isocyanuric acid, dichloro-, sodium salt|Izosan G|NATRIUMDICHLO|10119-30-9|12676-23-2|13023-28-4|16499-74-4|200401-83-8|25717-18-4|76560-28-6|81918-50-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024994 https://doi.org/10.22427/NTP-DATA-DTXSID3024994
ERPathway2016 ERPathway2016_1431 Sodium dichloroisocyanurate 2893-78-9 DTXSID3024994 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Sodium dichloroisocyanurate 2893-78-9|Sodium dichloroisocyanurate|1-Sodium-3,5-dichloro-1,3,5-triazine-2,4,6-trione|1-Sodium-3,5-dichloro-s-triazine-2,4,6-trione|1,3-Dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione sodium salt|1,3,5-Triazine-2,4,6-(1H,3H,5H)-trione.1,3-dicloro-,sodium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt (1:1)|3,5-Dichloro-2-hydroxy-4,6-s-triazinedione sodium salt|Actisan|Basolan DC|Caswell No. 759|CDB Clearon|Clearon|Clearon CDB|Clearon CDB 56|Dichloro-s-triazine-2,4,6-trione, sodium salt|Dichloro-s-triazinetrione sodium salt|Dichloroisocyanurate sodium|DICHLOROISOCYANURATE, SODIUM|Dichloroisocyanuric acid sodium salt|Dichloroisocyanuric acid, sodium salt|Dichlorosymtriazine-2,4,6(1H,3H,5H)trione sodium derivative|Dichlosia|Dikonit|Dimanin C|EINECS 220-767-7|EPA Pesticide Chemical Code 081404|Fi Clor 60S|Fi Clor Clearon|Fichlor|Hi-Lite 60C|Hi-Lite 60G|Hi-Lite G 60GW|ISOCYANURATE, DICHLORO-, SODIUM|Isocyanuric acid, dichloro-, sodium salt|Izosan G|NATRIUMDICHLO|10119-30-9|12676-23-2|13023-28-4|16499-74-4|200401-83-8|25717-18-4|76560-28-6|81918-50-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024994 https://doi.org/10.22427/NTP-DATA-DTXSID3024994
ARPathway2016 ARPathway2016_1264 Sodium dichloroisocyanurate dihydrate 51580-86-0 DTXSID0029761 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O.O.[Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Sodium dichloroisocyanurate dihydrate 51580-86-0|Sodium dichloroisocyanurate dihydrate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, dihydrate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, hydrate (1:1:2)|CDB-56|DICHLOROISOCYANURATE, SODIUM, DIHYDRATE|NaDCC|SODIUM DICHLORO S-TRIAZINETRIONE DIHYDRATE|Sodium dichloro-s-triazinetrione dihydrate|Troclosene sodium dihydrate|UNII-8027SYQ9X3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029761
ARPathway2016 ARPathway2016_1264 Sodium dichloroisocyanurate dihydrate 51580-86-0 DTXSID0029761 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O.O.[Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Sodium dichloroisocyanurate dihydrate 51580-86-0|Sodium dichloroisocyanurate dihydrate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, dihydrate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, hydrate (1:1:2)|CDB-56|DICHLOROISOCYANURATE, SODIUM, DIHYDRATE|NaDCC|SODIUM DICHLORO S-TRIAZINETRIONE DIHYDRATE|Sodium dichloro-s-triazinetrione dihydrate|Troclosene sodium dihydrate|UNII-8027SYQ9X3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029761
ARPathway2016 ARPathway2016_1264 Sodium dichloroisocyanurate dihydrate 51580-86-0 DTXSID0029761 0.0 AR Pathway Model, Agonist Call Inactive Unitless O.O.[Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Sodium dichloroisocyanurate dihydrate 51580-86-0|Sodium dichloroisocyanurate dihydrate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, dihydrate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, hydrate (1:1:2)|CDB-56|DICHLOROISOCYANURATE, SODIUM, DIHYDRATE|NaDCC|SODIUM DICHLORO S-TRIAZINETRIONE DIHYDRATE|Sodium dichloro-s-triazinetrione dihydrate|Troclosene sodium dihydrate|UNII-8027SYQ9X3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029761
ARPathway2016 ARPathway2016_1264 Sodium dichloroisocyanurate dihydrate 51580-86-0 DTXSID0029761 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O.O.[Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Sodium dichloroisocyanurate dihydrate 51580-86-0|Sodium dichloroisocyanurate dihydrate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, dihydrate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, hydrate (1:1:2)|CDB-56|DICHLOROISOCYANURATE, SODIUM, DIHYDRATE|NaDCC|SODIUM DICHLORO S-TRIAZINETRIONE DIHYDRATE|Sodium dichloro-s-triazinetrione dihydrate|Troclosene sodium dihydrate|UNII-8027SYQ9X3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029761
ERPathway2016 ERPathway2016_1507 Sodium dichloroisocyanurate dihydrate 51580-86-0 DTXSID0029761 ER Pathway Model, Agonist Model Score 0 Unitless O.O.[Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Sodium dichloroisocyanurate dihydrate 51580-86-0|Sodium dichloroisocyanurate dihydrate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, dihydrate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, hydrate (1:1:2)|CDB-56|DICHLOROISOCYANURATE, SODIUM, DIHYDRATE|NaDCC|SODIUM DICHLORO S-TRIAZINETRIONE DIHYDRATE|Sodium dichloro-s-triazinetrione dihydrate|Troclosene sodium dihydrate|UNII-8027SYQ9X3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029761
ERPathway2016 ERPathway2016_1507 Sodium dichloroisocyanurate dihydrate 51580-86-0 DTXSID0029761 ER Pathway Model, Antagonist Model Score 0 Unitless O.O.[Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Sodium dichloroisocyanurate dihydrate 51580-86-0|Sodium dichloroisocyanurate dihydrate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, dihydrate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, hydrate (1:1:2)|CDB-56|DICHLOROISOCYANURATE, SODIUM, DIHYDRATE|NaDCC|SODIUM DICHLORO S-TRIAZINETRIONE DIHYDRATE|Sodium dichloro-s-triazinetrione dihydrate|Troclosene sodium dihydrate|UNII-8027SYQ9X3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029761
ERPathway2016 ERPathway2016_1507 Sodium dichloroisocyanurate dihydrate 51580-86-0 DTXSID0029761 ER Pathway Model, Agonist Call Inactive Unitless O.O.[Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Sodium dichloroisocyanurate dihydrate 51580-86-0|Sodium dichloroisocyanurate dihydrate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, dihydrate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, hydrate (1:1:2)|CDB-56|DICHLOROISOCYANURATE, SODIUM, DIHYDRATE|NaDCC|SODIUM DICHLORO S-TRIAZINETRIONE DIHYDRATE|Sodium dichloro-s-triazinetrione dihydrate|Troclosene sodium dihydrate|UNII-8027SYQ9X3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029761
ERPathway2016 ERPathway2016_1507 Sodium dichloroisocyanurate dihydrate 51580-86-0 DTXSID0029761 ER Pathway Model, Antagonist Call Inactive Unitless O.O.[Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O Sodium dichloroisocyanurate dihydrate 51580-86-0|Sodium dichloroisocyanurate dihydrate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, dihydrate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, hydrate (1:1:2)|CDB-56|DICHLOROISOCYANURATE, SODIUM, DIHYDRATE|NaDCC|SODIUM DICHLORO S-TRIAZINETRIONE DIHYDRATE|Sodium dichloro-s-triazinetrione dihydrate|Troclosene sodium dihydrate|UNII-8027SYQ9X3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0029761
ARPathway2016 ARPathway2016_760 Sodium dimethyldithiocarbamate 128-04-1 DTXSID6027050 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CN(C)C([S-])=S Sodium dimethyldithiocarbamate 128-04-1|Sodium dimethyldithiocarbamate|(Dimethyldithiocarbamato)sodium|Aceto SDD 40|Alcobam NM|Amersep MP 3R|Brogdex 555|Carbam S|Carbam-S|CARBAMATE, DIMETHYLDITHIO-, SODIUM|Carbamic acid, dimethyldithio-, sodium salt|Carbamodithioic acid, dimethyl-, sodium salt|Carbamodithioic acid, N,N-dimethyl-, sodium salt (1:1)|Caswell No. 762|Diaprosim AB 13|Dibam A|Dimethyldithiocarbamate de sodium|Dimethyldithiocarbamate sodium salt|Dimethyldithiocarbamic acid sodium salt|Dimethyldithiocarbamic acid, sodium salt|dimetilditiocarbamato de sodio|EINECS 204-876-7|EPA Pesticide Chemical Code 034804|MetalPlex 143|Methyl Namate|Midfloc 1300L|N,N-Dimethyldithiocarbamate sodium salt|N,N-Dimethyldithiocarbamic acid sodium salt|N,N-Dimethyldithiocarbamic acid, sodium salt|NATRIUM-N,N-DIMETHYLDITHIOCARBAMAT|Natriumdimethyldithiocarbamat|Nocceler S|Nocceler S 35|NSC 85566|Sanceler S|Sanceler S 40|Sharstop 204|SODIUM DIMETHYL DITHIOCARBAMATE|Sodium dimethylaminecarbodithioate|Sodium dimethylaminocarbodithioate|Sodium dimethylaminodithiocarbamate|Sodium dimethylcarbamodi|122544-46-1|165724-02-7|191490-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027050
ARPathway2016 ARPathway2016_760 Sodium dimethyldithiocarbamate 128-04-1 DTXSID6027050 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CN(C)C([S-])=S Sodium dimethyldithiocarbamate 128-04-1|Sodium dimethyldithiocarbamate|(Dimethyldithiocarbamato)sodium|Aceto SDD 40|Alcobam NM|Amersep MP 3R|Brogdex 555|Carbam S|Carbam-S|CARBAMATE, DIMETHYLDITHIO-, SODIUM|Carbamic acid, dimethyldithio-, sodium salt|Carbamodithioic acid, dimethyl-, sodium salt|Carbamodithioic acid, N,N-dimethyl-, sodium salt (1:1)|Caswell No. 762|Diaprosim AB 13|Dibam A|Dimethyldithiocarbamate de sodium|Dimethyldithiocarbamate sodium salt|Dimethyldithiocarbamic acid sodium salt|Dimethyldithiocarbamic acid, sodium salt|dimetilditiocarbamato de sodio|EINECS 204-876-7|EPA Pesticide Chemical Code 034804|MetalPlex 143|Methyl Namate|Midfloc 1300L|N,N-Dimethyldithiocarbamate sodium salt|N,N-Dimethyldithiocarbamic acid sodium salt|N,N-Dimethyldithiocarbamic acid, sodium salt|NATRIUM-N,N-DIMETHYLDITHIOCARBAMAT|Natriumdimethyldithiocarbamat|Nocceler S|Nocceler S 35|NSC 85566|Sanceler S|Sanceler S 40|Sharstop 204|SODIUM DIMETHYL DITHIOCARBAMATE|Sodium dimethylaminecarbodithioate|Sodium dimethylaminocarbodithioate|Sodium dimethylaminodithiocarbamate|Sodium dimethylcarbamodi|122544-46-1|165724-02-7|191490-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027050
ARPathway2016 ARPathway2016_760 Sodium dimethyldithiocarbamate 128-04-1 DTXSID6027050 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CN(C)C([S-])=S Sodium dimethyldithiocarbamate 128-04-1|Sodium dimethyldithiocarbamate|(Dimethyldithiocarbamato)sodium|Aceto SDD 40|Alcobam NM|Amersep MP 3R|Brogdex 555|Carbam S|Carbam-S|CARBAMATE, DIMETHYLDITHIO-, SODIUM|Carbamic acid, dimethyldithio-, sodium salt|Carbamodithioic acid, dimethyl-, sodium salt|Carbamodithioic acid, N,N-dimethyl-, sodium salt (1:1)|Caswell No. 762|Diaprosim AB 13|Dibam A|Dimethyldithiocarbamate de sodium|Dimethyldithiocarbamate sodium salt|Dimethyldithiocarbamic acid sodium salt|Dimethyldithiocarbamic acid, sodium salt|dimetilditiocarbamato de sodio|EINECS 204-876-7|EPA Pesticide Chemical Code 034804|MetalPlex 143|Methyl Namate|Midfloc 1300L|N,N-Dimethyldithiocarbamate sodium salt|N,N-Dimethyldithiocarbamic acid sodium salt|N,N-Dimethyldithiocarbamic acid, sodium salt|NATRIUM-N,N-DIMETHYLDITHIOCARBAMAT|Natriumdimethyldithiocarbamat|Nocceler S|Nocceler S 35|NSC 85566|Sanceler S|Sanceler S 40|Sharstop 204|SODIUM DIMETHYL DITHIOCARBAMATE|Sodium dimethylaminecarbodithioate|Sodium dimethylaminocarbodithioate|Sodium dimethylaminodithiocarbamate|Sodium dimethylcarbamodi|122544-46-1|165724-02-7|191490-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027050
ARPathway2016 ARPathway2016_760 Sodium dimethyldithiocarbamate 128-04-1 DTXSID6027050 FLAG: Antagonist shift, but CI overlap 1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CN(C)C([S-])=S Sodium dimethyldithiocarbamate 128-04-1|Sodium dimethyldithiocarbamate|(Dimethyldithiocarbamato)sodium|Aceto SDD 40|Alcobam NM|Amersep MP 3R|Brogdex 555|Carbam S|Carbam-S|CARBAMATE, DIMETHYLDITHIO-, SODIUM|Carbamic acid, dimethyldithio-, sodium salt|Carbamodithioic acid, dimethyl-, sodium salt|Carbamodithioic acid, N,N-dimethyl-, sodium salt (1:1)|Caswell No. 762|Diaprosim AB 13|Dibam A|Dimethyldithiocarbamate de sodium|Dimethyldithiocarbamate sodium salt|Dimethyldithiocarbamic acid sodium salt|Dimethyldithiocarbamic acid, sodium salt|dimetilditiocarbamato de sodio|EINECS 204-876-7|EPA Pesticide Chemical Code 034804|MetalPlex 143|Methyl Namate|Midfloc 1300L|N,N-Dimethyldithiocarbamate sodium salt|N,N-Dimethyldithiocarbamic acid sodium salt|N,N-Dimethyldithiocarbamic acid, sodium salt|NATRIUM-N,N-DIMETHYLDITHIOCARBAMAT|Natriumdimethyldithiocarbamat|Nocceler S|Nocceler S 35|NSC 85566|Sanceler S|Sanceler S 40|Sharstop 204|SODIUM DIMETHYL DITHIOCARBAMATE|Sodium dimethylaminecarbodithioate|Sodium dimethylaminocarbodithioate|Sodium dimethylaminodithiocarbamate|Sodium dimethylcarbamodi|122544-46-1|165724-02-7|191490-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027050
ERPathway2016 ERPathway2016_1264 Sodium dimethyldithiocarbamate 128-04-1 DTXSID6027050 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CN(C)C([S-])=S Sodium dimethyldithiocarbamate 128-04-1|Sodium dimethyldithiocarbamate|(Dimethyldithiocarbamato)sodium|Aceto SDD 40|Alcobam NM|Amersep MP 3R|Brogdex 555|Carbam S|Carbam-S|CARBAMATE, DIMETHYLDITHIO-, SODIUM|Carbamic acid, dimethyldithio-, sodium salt|Carbamodithioic acid, dimethyl-, sodium salt|Carbamodithioic acid, N,N-dimethyl-, sodium salt (1:1)|Caswell No. 762|Diaprosim AB 13|Dibam A|Dimethyldithiocarbamate de sodium|Dimethyldithiocarbamate sodium salt|Dimethyldithiocarbamic acid sodium salt|Dimethyldithiocarbamic acid, sodium salt|dimetilditiocarbamato de sodio|EINECS 204-876-7|EPA Pesticide Chemical Code 034804|MetalPlex 143|Methyl Namate|Midfloc 1300L|N,N-Dimethyldithiocarbamate sodium salt|N,N-Dimethyldithiocarbamic acid sodium salt|N,N-Dimethyldithiocarbamic acid, sodium salt|NATRIUM-N,N-DIMETHYLDITHIOCARBAMAT|Natriumdimethyldithiocarbamat|Nocceler S|Nocceler S 35|NSC 85566|Sanceler S|Sanceler S 40|Sharstop 204|SODIUM DIMETHYL DITHIOCARBAMATE|Sodium dimethylaminecarbodithioate|Sodium dimethylaminocarbodithioate|Sodium dimethylaminodithiocarbamate|Sodium dimethylcarbamodi|122544-46-1|165724-02-7|191490-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027050
ERPathway2016 ERPathway2016_1264 Sodium dimethyldithiocarbamate 128-04-1 DTXSID6027050 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CN(C)C([S-])=S Sodium dimethyldithiocarbamate 128-04-1|Sodium dimethyldithiocarbamate|(Dimethyldithiocarbamato)sodium|Aceto SDD 40|Alcobam NM|Amersep MP 3R|Brogdex 555|Carbam S|Carbam-S|CARBAMATE, DIMETHYLDITHIO-, SODIUM|Carbamic acid, dimethyldithio-, sodium salt|Carbamodithioic acid, dimethyl-, sodium salt|Carbamodithioic acid, N,N-dimethyl-, sodium salt (1:1)|Caswell No. 762|Diaprosim AB 13|Dibam A|Dimethyldithiocarbamate de sodium|Dimethyldithiocarbamate sodium salt|Dimethyldithiocarbamic acid sodium salt|Dimethyldithiocarbamic acid, sodium salt|dimetilditiocarbamato de sodio|EINECS 204-876-7|EPA Pesticide Chemical Code 034804|MetalPlex 143|Methyl Namate|Midfloc 1300L|N,N-Dimethyldithiocarbamate sodium salt|N,N-Dimethyldithiocarbamic acid sodium salt|N,N-Dimethyldithiocarbamic acid, sodium salt|NATRIUM-N,N-DIMETHYLDITHIOCARBAMAT|Natriumdimethyldithiocarbamat|Nocceler S|Nocceler S 35|NSC 85566|Sanceler S|Sanceler S 40|Sharstop 204|SODIUM DIMETHYL DITHIOCARBAMATE|Sodium dimethylaminecarbodithioate|Sodium dimethylaminocarbodithioate|Sodium dimethylaminodithiocarbamate|Sodium dimethylcarbamodi|122544-46-1|165724-02-7|191490-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027050
ERPathway2016 ERPathway2016_1264 Sodium dimethyldithiocarbamate 128-04-1 DTXSID6027050 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CN(C)C([S-])=S Sodium dimethyldithiocarbamate 128-04-1|Sodium dimethyldithiocarbamate|(Dimethyldithiocarbamato)sodium|Aceto SDD 40|Alcobam NM|Amersep MP 3R|Brogdex 555|Carbam S|Carbam-S|CARBAMATE, DIMETHYLDITHIO-, SODIUM|Carbamic acid, dimethyldithio-, sodium salt|Carbamodithioic acid, dimethyl-, sodium salt|Carbamodithioic acid, N,N-dimethyl-, sodium salt (1:1)|Caswell No. 762|Diaprosim AB 13|Dibam A|Dimethyldithiocarbamate de sodium|Dimethyldithiocarbamate sodium salt|Dimethyldithiocarbamic acid sodium salt|Dimethyldithiocarbamic acid, sodium salt|dimetilditiocarbamato de sodio|EINECS 204-876-7|EPA Pesticide Chemical Code 034804|MetalPlex 143|Methyl Namate|Midfloc 1300L|N,N-Dimethyldithiocarbamate sodium salt|N,N-Dimethyldithiocarbamic acid sodium salt|N,N-Dimethyldithiocarbamic acid, sodium salt|NATRIUM-N,N-DIMETHYLDITHIOCARBAMAT|Natriumdimethyldithiocarbamat|Nocceler S|Nocceler S 35|NSC 85566|Sanceler S|Sanceler S 40|Sharstop 204|SODIUM DIMETHYL DITHIOCARBAMATE|Sodium dimethylaminecarbodithioate|Sodium dimethylaminocarbodithioate|Sodium dimethylaminodithiocarbamate|Sodium dimethylcarbamodi|122544-46-1|165724-02-7|191490-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027050
ERPathway2016 ERPathway2016_1264 Sodium dimethyldithiocarbamate 128-04-1 DTXSID6027050 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CN(C)C([S-])=S Sodium dimethyldithiocarbamate 128-04-1|Sodium dimethyldithiocarbamate|(Dimethyldithiocarbamato)sodium|Aceto SDD 40|Alcobam NM|Amersep MP 3R|Brogdex 555|Carbam S|Carbam-S|CARBAMATE, DIMETHYLDITHIO-, SODIUM|Carbamic acid, dimethyldithio-, sodium salt|Carbamodithioic acid, dimethyl-, sodium salt|Carbamodithioic acid, N,N-dimethyl-, sodium salt (1:1)|Caswell No. 762|Diaprosim AB 13|Dibam A|Dimethyldithiocarbamate de sodium|Dimethyldithiocarbamate sodium salt|Dimethyldithiocarbamic acid sodium salt|Dimethyldithiocarbamic acid, sodium salt|dimetilditiocarbamato de sodio|EINECS 204-876-7|EPA Pesticide Chemical Code 034804|MetalPlex 143|Methyl Namate|Midfloc 1300L|N,N-Dimethyldithiocarbamate sodium salt|N,N-Dimethyldithiocarbamic acid sodium salt|N,N-Dimethyldithiocarbamic acid, sodium salt|NATRIUM-N,N-DIMETHYLDITHIOCARBAMAT|Natriumdimethyldithiocarbamat|Nocceler S|Nocceler S 35|NSC 85566|Sanceler S|Sanceler S 40|Sharstop 204|SODIUM DIMETHYL DITHIOCARBAMATE|Sodium dimethylaminecarbodithioate|Sodium dimethylaminocarbodithioate|Sodium dimethylaminodithiocarbamate|Sodium dimethylcarbamodi|122544-46-1|165724-02-7|191490-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027050
ARPathway2016 ARPathway2016_885 Sodium dodecyl sulfate 151-21-3 DTXSID1026031 0.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCCCCCCCCCOS([O-])(=O)=O Sodium dodecyl sulfate 151-21-3|Sodium dodecyl sulfate|1-Dodecanol,hydrogen sulfate,sodium salt|Adeka Hope LS 35|Adeka Hope LS 90|Akyposal NLS|Akyposal SDS|Alscoap LN 40A|Alscoap LN 90|Alscoap LN-140|Alscoap MP 90N|Alscoap SP 40|Alscoap-LN 90P|Anticerumen|Aquarex Me|Aquarex methyl|Avirol SL 2010|Bio-Soft SDBS 60|Calfoam ES 303|Calfoam SLS 30|Carsonol SLS|Carsonol SLS Paste B|Carsonol SLS Special|Carsonol SLS-S|Caswell No. 779|Colonial SLS|Conco sulfate WA|Conco sulfate WA-1200|Conco sulfate WA-1245|Conco Sulfate WAG|Conco Sulfate WAN|Conco Sulfate WAS|Conco sulfate WN|Cycloryl 21|Cycloryl 21LS|Cycloryl 31|Cycloryl 580|Cycloryl 585N|Dehydag Sulfate GL|Dehydag sulfate GL emulsion|Dehydag sulphate GL emulsion|Dehydrag sulfate gl emulsion|Dermacide|Detergent 66|Dodecyl alcohol, hydrogen sulfate, sodium salt|DODECYL HYDROGEN SULFATE SODIUM SALT|DODECYL HYDROGENSULFATE SODIUM SALT|Dodecyl sodium sulfate|Dodecyl sulfate sodium|DODECYL SULFATE SODIUM SALT|DODECYL SULFATE, SODIUM|Dodecyl sulfate, sodium salt|Dupanol WAQ|Duponal|Duponal WAQE|Duponol|Duponol C|Duponol ME|Du|1000201-72-8|1000201-73-9|111726-87-5|121481-64-9|12738-53-3|12765-21-8|129203-37-8|1334-67-4|1335-72-4|145269-44-9|152155-52-7|156108-01-9|172826-72-1|1883428-81-6|191490-40-1|210297-21-5|2326507-32-6|237743-45-2|303179-49-9|39384-36-6|51222-39-0|57176-54-2|58640-35-0|61711-39-5|64441-33-4|74433-77-5|8012-56-4|8048-56-4|877454-24-5|952055-37-7|952092-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026031 https://doi.org/10.22427/NTP-DATA-DTXSID1026031
ARPathway2016 ARPathway2016_885 Sodium dodecyl sulfate 151-21-3 DTXSID1026031 0.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCCCCCCCCCOS([O-])(=O)=O Sodium dodecyl sulfate 151-21-3|Sodium dodecyl sulfate|1-Dodecanol,hydrogen sulfate,sodium salt|Adeka Hope LS 35|Adeka Hope LS 90|Akyposal NLS|Akyposal SDS|Alscoap LN 40A|Alscoap LN 90|Alscoap LN-140|Alscoap MP 90N|Alscoap SP 40|Alscoap-LN 90P|Anticerumen|Aquarex Me|Aquarex methyl|Avirol SL 2010|Bio-Soft SDBS 60|Calfoam ES 303|Calfoam SLS 30|Carsonol SLS|Carsonol SLS Paste B|Carsonol SLS Special|Carsonol SLS-S|Caswell No. 779|Colonial SLS|Conco sulfate WA|Conco sulfate WA-1200|Conco sulfate WA-1245|Conco Sulfate WAG|Conco Sulfate WAN|Conco Sulfate WAS|Conco sulfate WN|Cycloryl 21|Cycloryl 21LS|Cycloryl 31|Cycloryl 580|Cycloryl 585N|Dehydag Sulfate GL|Dehydag sulfate GL emulsion|Dehydag sulphate GL emulsion|Dehydrag sulfate gl emulsion|Dermacide|Detergent 66|Dodecyl alcohol, hydrogen sulfate, sodium salt|DODECYL HYDROGEN SULFATE SODIUM SALT|DODECYL HYDROGENSULFATE SODIUM SALT|Dodecyl sodium sulfate|Dodecyl sulfate sodium|DODECYL SULFATE SODIUM SALT|DODECYL SULFATE, SODIUM|Dodecyl sulfate, sodium salt|Dupanol WAQ|Duponal|Duponal WAQE|Duponol|Duponol C|Duponol ME|Du|1000201-72-8|1000201-73-9|111726-87-5|121481-64-9|12738-53-3|12765-21-8|129203-37-8|1334-67-4|1335-72-4|145269-44-9|152155-52-7|156108-01-9|172826-72-1|1883428-81-6|191490-40-1|210297-21-5|2326507-32-6|237743-45-2|303179-49-9|39384-36-6|51222-39-0|57176-54-2|58640-35-0|61711-39-5|64441-33-4|74433-77-5|8012-56-4|8048-56-4|877454-24-5|952055-37-7|952092-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026031 https://doi.org/10.22427/NTP-DATA-DTXSID1026031
ARPathway2016 ARPathway2016_885 Sodium dodecyl sulfate 151-21-3 DTXSID1026031 0.0 A3 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCCCCCCCCCOS([O-])(=O)=O Sodium dodecyl sulfate 151-21-3|Sodium dodecyl sulfate|1-Dodecanol,hydrogen sulfate,sodium salt|Adeka Hope LS 35|Adeka Hope LS 90|Akyposal NLS|Akyposal SDS|Alscoap LN 40A|Alscoap LN 90|Alscoap LN-140|Alscoap MP 90N|Alscoap SP 40|Alscoap-LN 90P|Anticerumen|Aquarex Me|Aquarex methyl|Avirol SL 2010|Bio-Soft SDBS 60|Calfoam ES 303|Calfoam SLS 30|Carsonol SLS|Carsonol SLS Paste B|Carsonol SLS Special|Carsonol SLS-S|Caswell No. 779|Colonial SLS|Conco sulfate WA|Conco sulfate WA-1200|Conco sulfate WA-1245|Conco Sulfate WAG|Conco Sulfate WAN|Conco Sulfate WAS|Conco sulfate WN|Cycloryl 21|Cycloryl 21LS|Cycloryl 31|Cycloryl 580|Cycloryl 585N|Dehydag Sulfate GL|Dehydag sulfate GL emulsion|Dehydag sulphate GL emulsion|Dehydrag sulfate gl emulsion|Dermacide|Detergent 66|Dodecyl alcohol, hydrogen sulfate, sodium salt|DODECYL HYDROGEN SULFATE SODIUM SALT|DODECYL HYDROGENSULFATE SODIUM SALT|Dodecyl sodium sulfate|Dodecyl sulfate sodium|DODECYL SULFATE SODIUM SALT|DODECYL SULFATE, SODIUM|Dodecyl sulfate, sodium salt|Dupanol WAQ|Duponal|Duponal WAQE|Duponol|Duponol C|Duponol ME|Du|1000201-72-8|1000201-73-9|111726-87-5|121481-64-9|12738-53-3|12765-21-8|129203-37-8|1334-67-4|1335-72-4|145269-44-9|152155-52-7|156108-01-9|172826-72-1|1883428-81-6|191490-40-1|210297-21-5|2326507-32-6|237743-45-2|303179-49-9|39384-36-6|51222-39-0|57176-54-2|58640-35-0|61711-39-5|64441-33-4|74433-77-5|8012-56-4|8048-56-4|877454-24-5|952055-37-7|952092-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026031 https://doi.org/10.22427/NTP-DATA-DTXSID1026031
ARPathway2016 ARPathway2016_885 Sodium dodecyl sulfate 151-21-3 DTXSID1026031 0.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCCCCCOS([O-])(=O)=O Sodium dodecyl sulfate 151-21-3|Sodium dodecyl sulfate|1-Dodecanol,hydrogen sulfate,sodium salt|Adeka Hope LS 35|Adeka Hope LS 90|Akyposal NLS|Akyposal SDS|Alscoap LN 40A|Alscoap LN 90|Alscoap LN-140|Alscoap MP 90N|Alscoap SP 40|Alscoap-LN 90P|Anticerumen|Aquarex Me|Aquarex methyl|Avirol SL 2010|Bio-Soft SDBS 60|Calfoam ES 303|Calfoam SLS 30|Carsonol SLS|Carsonol SLS Paste B|Carsonol SLS Special|Carsonol SLS-S|Caswell No. 779|Colonial SLS|Conco sulfate WA|Conco sulfate WA-1200|Conco sulfate WA-1245|Conco Sulfate WAG|Conco Sulfate WAN|Conco Sulfate WAS|Conco sulfate WN|Cycloryl 21|Cycloryl 21LS|Cycloryl 31|Cycloryl 580|Cycloryl 585N|Dehydag Sulfate GL|Dehydag sulfate GL emulsion|Dehydag sulphate GL emulsion|Dehydrag sulfate gl emulsion|Dermacide|Detergent 66|Dodecyl alcohol, hydrogen sulfate, sodium salt|DODECYL HYDROGEN SULFATE SODIUM SALT|DODECYL HYDROGENSULFATE SODIUM SALT|Dodecyl sodium sulfate|Dodecyl sulfate sodium|DODECYL SULFATE SODIUM SALT|DODECYL SULFATE, SODIUM|Dodecyl sulfate, sodium salt|Dupanol WAQ|Duponal|Duponal WAQE|Duponol|Duponol C|Duponol ME|Du|1000201-72-8|1000201-73-9|111726-87-5|121481-64-9|12738-53-3|12765-21-8|129203-37-8|1334-67-4|1335-72-4|145269-44-9|152155-52-7|156108-01-9|172826-72-1|1883428-81-6|191490-40-1|210297-21-5|2326507-32-6|237743-45-2|303179-49-9|39384-36-6|51222-39-0|57176-54-2|58640-35-0|61711-39-5|64441-33-4|74433-77-5|8012-56-4|8048-56-4|877454-24-5|952055-37-7|952092-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026031 https://doi.org/10.22427/NTP-DATA-DTXSID1026031
ERPathway2016 ERPathway2016_934 Sodium dodecyl sulfate 151-21-3 DTXSID1026031 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCCCCCCCCCOS([O-])(=O)=O Sodium dodecyl sulfate 151-21-3|Sodium dodecyl sulfate|1-Dodecanol,hydrogen sulfate,sodium salt|Adeka Hope LS 35|Adeka Hope LS 90|Akyposal NLS|Akyposal SDS|Alscoap LN 40A|Alscoap LN 90|Alscoap LN-140|Alscoap MP 90N|Alscoap SP 40|Alscoap-LN 90P|Anticerumen|Aquarex Me|Aquarex methyl|Avirol SL 2010|Bio-Soft SDBS 60|Calfoam ES 303|Calfoam SLS 30|Carsonol SLS|Carsonol SLS Paste B|Carsonol SLS Special|Carsonol SLS-S|Caswell No. 779|Colonial SLS|Conco sulfate WA|Conco sulfate WA-1200|Conco sulfate WA-1245|Conco Sulfate WAG|Conco Sulfate WAN|Conco Sulfate WAS|Conco sulfate WN|Cycloryl 21|Cycloryl 21LS|Cycloryl 31|Cycloryl 580|Cycloryl 585N|Dehydag Sulfate GL|Dehydag sulfate GL emulsion|Dehydag sulphate GL emulsion|Dehydrag sulfate gl emulsion|Dermacide|Detergent 66|Dodecyl alcohol, hydrogen sulfate, sodium salt|DODECYL HYDROGEN SULFATE SODIUM SALT|DODECYL HYDROGENSULFATE SODIUM SALT|Dodecyl sodium sulfate|Dodecyl sulfate sodium|DODECYL SULFATE SODIUM SALT|DODECYL SULFATE, SODIUM|Dodecyl sulfate, sodium salt|Dupanol WAQ|Duponal|Duponal WAQE|Duponol|Duponol C|Duponol ME|Du|1000201-72-8|1000201-73-9|111726-87-5|121481-64-9|12738-53-3|12765-21-8|129203-37-8|1334-67-4|1335-72-4|145269-44-9|152155-52-7|156108-01-9|172826-72-1|1883428-81-6|191490-40-1|210297-21-5|2326507-32-6|237743-45-2|303179-49-9|39384-36-6|51222-39-0|57176-54-2|58640-35-0|61711-39-5|64441-33-4|74433-77-5|8012-56-4|8048-56-4|877454-24-5|952055-37-7|952092-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026031 https://doi.org/10.22427/NTP-DATA-DTXSID1026031
ERPathway2016 ERPathway2016_934 Sodium dodecyl sulfate 151-21-3 DTXSID1026031 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCCCCCCCCCOS([O-])(=O)=O Sodium dodecyl sulfate 151-21-3|Sodium dodecyl sulfate|1-Dodecanol,hydrogen sulfate,sodium salt|Adeka Hope LS 35|Adeka Hope LS 90|Akyposal NLS|Akyposal SDS|Alscoap LN 40A|Alscoap LN 90|Alscoap LN-140|Alscoap MP 90N|Alscoap SP 40|Alscoap-LN 90P|Anticerumen|Aquarex Me|Aquarex methyl|Avirol SL 2010|Bio-Soft SDBS 60|Calfoam ES 303|Calfoam SLS 30|Carsonol SLS|Carsonol SLS Paste B|Carsonol SLS Special|Carsonol SLS-S|Caswell No. 779|Colonial SLS|Conco sulfate WA|Conco sulfate WA-1200|Conco sulfate WA-1245|Conco Sulfate WAG|Conco Sulfate WAN|Conco Sulfate WAS|Conco sulfate WN|Cycloryl 21|Cycloryl 21LS|Cycloryl 31|Cycloryl 580|Cycloryl 585N|Dehydag Sulfate GL|Dehydag sulfate GL emulsion|Dehydag sulphate GL emulsion|Dehydrag sulfate gl emulsion|Dermacide|Detergent 66|Dodecyl alcohol, hydrogen sulfate, sodium salt|DODECYL HYDROGEN SULFATE SODIUM SALT|DODECYL HYDROGENSULFATE SODIUM SALT|Dodecyl sodium sulfate|Dodecyl sulfate sodium|DODECYL SULFATE SODIUM SALT|DODECYL SULFATE, SODIUM|Dodecyl sulfate, sodium salt|Dupanol WAQ|Duponal|Duponal WAQE|Duponol|Duponol C|Duponol ME|Du|1000201-72-8|1000201-73-9|111726-87-5|121481-64-9|12738-53-3|12765-21-8|129203-37-8|1334-67-4|1335-72-4|145269-44-9|152155-52-7|156108-01-9|172826-72-1|1883428-81-6|191490-40-1|210297-21-5|2326507-32-6|237743-45-2|303179-49-9|39384-36-6|51222-39-0|57176-54-2|58640-35-0|61711-39-5|64441-33-4|74433-77-5|8012-56-4|8048-56-4|877454-24-5|952055-37-7|952092-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026031 https://doi.org/10.22427/NTP-DATA-DTXSID1026031
ERPathway2016 ERPathway2016_934 Sodium dodecyl sulfate 151-21-3 DTXSID1026031 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCCCCCCCCCOS([O-])(=O)=O Sodium dodecyl sulfate 151-21-3|Sodium dodecyl sulfate|1-Dodecanol,hydrogen sulfate,sodium salt|Adeka Hope LS 35|Adeka Hope LS 90|Akyposal NLS|Akyposal SDS|Alscoap LN 40A|Alscoap LN 90|Alscoap LN-140|Alscoap MP 90N|Alscoap SP 40|Alscoap-LN 90P|Anticerumen|Aquarex Me|Aquarex methyl|Avirol SL 2010|Bio-Soft SDBS 60|Calfoam ES 303|Calfoam SLS 30|Carsonol SLS|Carsonol SLS Paste B|Carsonol SLS Special|Carsonol SLS-S|Caswell No. 779|Colonial SLS|Conco sulfate WA|Conco sulfate WA-1200|Conco sulfate WA-1245|Conco Sulfate WAG|Conco Sulfate WAN|Conco Sulfate WAS|Conco sulfate WN|Cycloryl 21|Cycloryl 21LS|Cycloryl 31|Cycloryl 580|Cycloryl 585N|Dehydag Sulfate GL|Dehydag sulfate GL emulsion|Dehydag sulphate GL emulsion|Dehydrag sulfate gl emulsion|Dermacide|Detergent 66|Dodecyl alcohol, hydrogen sulfate, sodium salt|DODECYL HYDROGEN SULFATE SODIUM SALT|DODECYL HYDROGENSULFATE SODIUM SALT|Dodecyl sodium sulfate|Dodecyl sulfate sodium|DODECYL SULFATE SODIUM SALT|DODECYL SULFATE, SODIUM|Dodecyl sulfate, sodium salt|Dupanol WAQ|Duponal|Duponal WAQE|Duponol|Duponol C|Duponol ME|Du|1000201-72-8|1000201-73-9|111726-87-5|121481-64-9|12738-53-3|12765-21-8|129203-37-8|1334-67-4|1335-72-4|145269-44-9|152155-52-7|156108-01-9|172826-72-1|1883428-81-6|191490-40-1|210297-21-5|2326507-32-6|237743-45-2|303179-49-9|39384-36-6|51222-39-0|57176-54-2|58640-35-0|61711-39-5|64441-33-4|74433-77-5|8012-56-4|8048-56-4|877454-24-5|952055-37-7|952092-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026031 https://doi.org/10.22427/NTP-DATA-DTXSID1026031
ERPathway2016 ERPathway2016_934 Sodium dodecyl sulfate 151-21-3 DTXSID1026031 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCCCCCOS([O-])(=O)=O Sodium dodecyl sulfate 151-21-3|Sodium dodecyl sulfate|1-Dodecanol,hydrogen sulfate,sodium salt|Adeka Hope LS 35|Adeka Hope LS 90|Akyposal NLS|Akyposal SDS|Alscoap LN 40A|Alscoap LN 90|Alscoap LN-140|Alscoap MP 90N|Alscoap SP 40|Alscoap-LN 90P|Anticerumen|Aquarex Me|Aquarex methyl|Avirol SL 2010|Bio-Soft SDBS 60|Calfoam ES 303|Calfoam SLS 30|Carsonol SLS|Carsonol SLS Paste B|Carsonol SLS Special|Carsonol SLS-S|Caswell No. 779|Colonial SLS|Conco sulfate WA|Conco sulfate WA-1200|Conco sulfate WA-1245|Conco Sulfate WAG|Conco Sulfate WAN|Conco Sulfate WAS|Conco sulfate WN|Cycloryl 21|Cycloryl 21LS|Cycloryl 31|Cycloryl 580|Cycloryl 585N|Dehydag Sulfate GL|Dehydag sulfate GL emulsion|Dehydag sulphate GL emulsion|Dehydrag sulfate gl emulsion|Dermacide|Detergent 66|Dodecyl alcohol, hydrogen sulfate, sodium salt|DODECYL HYDROGEN SULFATE SODIUM SALT|DODECYL HYDROGENSULFATE SODIUM SALT|Dodecyl sodium sulfate|Dodecyl sulfate sodium|DODECYL SULFATE SODIUM SALT|DODECYL SULFATE, SODIUM|Dodecyl sulfate, sodium salt|Dupanol WAQ|Duponal|Duponal WAQE|Duponol|Duponol C|Duponol ME|Du|1000201-72-8|1000201-73-9|111726-87-5|121481-64-9|12738-53-3|12765-21-8|129203-37-8|1334-67-4|1335-72-4|145269-44-9|152155-52-7|156108-01-9|172826-72-1|1883428-81-6|191490-40-1|210297-21-5|2326507-32-6|237743-45-2|303179-49-9|39384-36-6|51222-39-0|57176-54-2|58640-35-0|61711-39-5|64441-33-4|74433-77-5|8012-56-4|8048-56-4|877454-24-5|952055-37-7|952092-90-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026031 https://doi.org/10.22427/NTP-DATA-DTXSID1026031
ARPathway2016 ARPathway2016_1047 Sodium dodecylbenzenesulfonate 25155-30-0 DTXSID7025219 0.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless Sodium dodecylbenzenesulfonate 25155-30-0|Sodium dodecylbenzenesulfonate|Abeson NAM|Alkanate DC|Anstex MJ 420|Arylan SBC|BENZENE SULFONATE, DODECYL-, SODIUM|BENZENESULFONATE, DODECYL-, SODIUM|Benzenesulfonic acid, dodecyl-, sodium salt|Benzenesulfonic acid, dodecyl-, sodium salt (1:1)|Benzenesulfonic acid, dodecyl, sodium salt|Bio-Soft D 35X|Bio-Soft D 40|Bio-Soft D 40RC|Bio-Soft D 62|Bio-Soft D-35X|Bio-Soft D-40|Bio-Soft LAS 40S|Biosoft 40S|Caflon NAS 30|Caflon SNA|Calsoft 90F|Calsoft F 90|Calsoft F-90|Calsoft L 40|Calsoft L 50|Calsoft L 60|Calsoft L-40|Caswell No. 765|Conco aas-35|Conco aas-35H|Conco aas-40|Conco aas-40S|Conco aas-45S|Conco aas-50|Conoco C 550|Detergent HD-90|Deterlon|Deterlon A|Dobanic 560|dodecilbencenosulfonato de sodio, puro|Dodecyl benzene sodium sulfonate|Dodecyl benzenesulfonic acid, sodium salt|Dodecylbenzene sodium sulfonate|dodecylbenzenesulfonate de sodium|Dodecylbenzenesulfonate de sodium, pur|Dodecylbenzenesulfonate, sodium salt|Dodecylbenzenesulfonic acid sodium salt|Dodecylbenzenesulfonic acid, Na salt|DODECYLBENZENESULFONIC ACID, SODIUM SALT|Dode|1036266-20-2|11114-21-9|12068-21-2|122390-78-7|12627-25-7|12676-70-9|128452-17-5|1323-13-3|138362-06-8|142986-60-5|147035-77-6|167163-39-5|170006-86-7|177645-67-9|178900-97-5|18618-53-6|189201-38-5|19327-14-1|254117-47-0|28675-02-7|295348-93-5|312629-70-2|352212-18-1|37334-89-7|39316-39-7|39386-98-6|39405-16-8|52624-37-0|56590-39-7|57762-50-2|58517-33-2|60328-33-8|63530-22-3|68445-25-0|71244-85-4|76483-01-7|82028-94-2|82785-43-1|83203-33-2|83652-87-3|83652-88-4|83652-89-5|863016-65-3|863727-58-6|88495-86-7|90452-02-1|906063-68-1|941291-66-3|94187-92-5|950892-60-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025219 https://doi.org/10.22427/NTP-DATA-DTXSID7025219
ARPathway2016 ARPathway2016_1047 Sodium dodecylbenzenesulfonate 25155-30-0 DTXSID7025219 0.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless Sodium dodecylbenzenesulfonate 25155-30-0|Sodium dodecylbenzenesulfonate|Abeson NAM|Alkanate DC|Anstex MJ 420|Arylan SBC|BENZENE SULFONATE, DODECYL-, SODIUM|BENZENESULFONATE, DODECYL-, SODIUM|Benzenesulfonic acid, dodecyl-, sodium salt|Benzenesulfonic acid, dodecyl-, sodium salt (1:1)|Benzenesulfonic acid, dodecyl, sodium salt|Bio-Soft D 35X|Bio-Soft D 40|Bio-Soft D 40RC|Bio-Soft D 62|Bio-Soft D-35X|Bio-Soft D-40|Bio-Soft LAS 40S|Biosoft 40S|Caflon NAS 30|Caflon SNA|Calsoft 90F|Calsoft F 90|Calsoft F-90|Calsoft L 40|Calsoft L 50|Calsoft L 60|Calsoft L-40|Caswell No. 765|Conco aas-35|Conco aas-35H|Conco aas-40|Conco aas-40S|Conco aas-45S|Conco aas-50|Conoco C 550|Detergent HD-90|Deterlon|Deterlon A|Dobanic 560|dodecilbencenosulfonato de sodio, puro|Dodecyl benzene sodium sulfonate|Dodecyl benzenesulfonic acid, sodium salt|Dodecylbenzene sodium sulfonate|dodecylbenzenesulfonate de sodium|Dodecylbenzenesulfonate de sodium, pur|Dodecylbenzenesulfonate, sodium salt|Dodecylbenzenesulfonic acid sodium salt|Dodecylbenzenesulfonic acid, Na salt|DODECYLBENZENESULFONIC ACID, SODIUM SALT|Dode|1036266-20-2|11114-21-9|12068-21-2|122390-78-7|12627-25-7|12676-70-9|128452-17-5|1323-13-3|138362-06-8|142986-60-5|147035-77-6|167163-39-5|170006-86-7|177645-67-9|178900-97-5|18618-53-6|189201-38-5|19327-14-1|254117-47-0|28675-02-7|295348-93-5|312629-70-2|352212-18-1|37334-89-7|39316-39-7|39386-98-6|39405-16-8|52624-37-0|56590-39-7|57762-50-2|58517-33-2|60328-33-8|63530-22-3|68445-25-0|71244-85-4|76483-01-7|82028-94-2|82785-43-1|83203-33-2|83652-87-3|83652-88-4|83652-89-5|863016-65-3|863727-58-6|88495-86-7|90452-02-1|906063-68-1|941291-66-3|94187-92-5|950892-60-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025219 https://doi.org/10.22427/NTP-DATA-DTXSID7025219
ARPathway2016 ARPathway2016_1047 Sodium dodecylbenzenesulfonate 25155-30-0 DTXSID7025219 0.0 A3 AR Pathway Model, Agonist Call Inactive Unitless Sodium dodecylbenzenesulfonate 25155-30-0|Sodium dodecylbenzenesulfonate|Abeson NAM|Alkanate DC|Anstex MJ 420|Arylan SBC|BENZENE SULFONATE, DODECYL-, SODIUM|BENZENESULFONATE, DODECYL-, SODIUM|Benzenesulfonic acid, dodecyl-, sodium salt|Benzenesulfonic acid, dodecyl-, sodium salt (1:1)|Benzenesulfonic acid, dodecyl, sodium salt|Bio-Soft D 35X|Bio-Soft D 40|Bio-Soft D 40RC|Bio-Soft D 62|Bio-Soft D-35X|Bio-Soft D-40|Bio-Soft LAS 40S|Biosoft 40S|Caflon NAS 30|Caflon SNA|Calsoft 90F|Calsoft F 90|Calsoft F-90|Calsoft L 40|Calsoft L 50|Calsoft L 60|Calsoft L-40|Caswell No. 765|Conco aas-35|Conco aas-35H|Conco aas-40|Conco aas-40S|Conco aas-45S|Conco aas-50|Conoco C 550|Detergent HD-90|Deterlon|Deterlon A|Dobanic 560|dodecilbencenosulfonato de sodio, puro|Dodecyl benzene sodium sulfonate|Dodecyl benzenesulfonic acid, sodium salt|Dodecylbenzene sodium sulfonate|dodecylbenzenesulfonate de sodium|Dodecylbenzenesulfonate de sodium, pur|Dodecylbenzenesulfonate, sodium salt|Dodecylbenzenesulfonic acid sodium salt|Dodecylbenzenesulfonic acid, Na salt|DODECYLBENZENESULFONIC ACID, SODIUM SALT|Dode|1036266-20-2|11114-21-9|12068-21-2|122390-78-7|12627-25-7|12676-70-9|128452-17-5|1323-13-3|138362-06-8|142986-60-5|147035-77-6|167163-39-5|170006-86-7|177645-67-9|178900-97-5|18618-53-6|189201-38-5|19327-14-1|254117-47-0|28675-02-7|295348-93-5|312629-70-2|352212-18-1|37334-89-7|39316-39-7|39386-98-6|39405-16-8|52624-37-0|56590-39-7|57762-50-2|58517-33-2|60328-33-8|63530-22-3|68445-25-0|71244-85-4|76483-01-7|82028-94-2|82785-43-1|83203-33-2|83652-87-3|83652-88-4|83652-89-5|863016-65-3|863727-58-6|88495-86-7|90452-02-1|906063-68-1|941291-66-3|94187-92-5|950892-60-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025219 https://doi.org/10.22427/NTP-DATA-DTXSID7025219
ARPathway2016 ARPathway2016_1047 Sodium dodecylbenzenesulfonate 25155-30-0 DTXSID7025219 0.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless Sodium dodecylbenzenesulfonate 25155-30-0|Sodium dodecylbenzenesulfonate|Abeson NAM|Alkanate DC|Anstex MJ 420|Arylan SBC|BENZENE SULFONATE, DODECYL-, SODIUM|BENZENESULFONATE, DODECYL-, SODIUM|Benzenesulfonic acid, dodecyl-, sodium salt|Benzenesulfonic acid, dodecyl-, sodium salt (1:1)|Benzenesulfonic acid, dodecyl, sodium salt|Bio-Soft D 35X|Bio-Soft D 40|Bio-Soft D 40RC|Bio-Soft D 62|Bio-Soft D-35X|Bio-Soft D-40|Bio-Soft LAS 40S|Biosoft 40S|Caflon NAS 30|Caflon SNA|Calsoft 90F|Calsoft F 90|Calsoft F-90|Calsoft L 40|Calsoft L 50|Calsoft L 60|Calsoft L-40|Caswell No. 765|Conco aas-35|Conco aas-35H|Conco aas-40|Conco aas-40S|Conco aas-45S|Conco aas-50|Conoco C 550|Detergent HD-90|Deterlon|Deterlon A|Dobanic 560|dodecilbencenosulfonato de sodio, puro|Dodecyl benzene sodium sulfonate|Dodecyl benzenesulfonic acid, sodium salt|Dodecylbenzene sodium sulfonate|dodecylbenzenesulfonate de sodium|Dodecylbenzenesulfonate de sodium, pur|Dodecylbenzenesulfonate, sodium salt|Dodecylbenzenesulfonic acid sodium salt|Dodecylbenzenesulfonic acid, Na salt|DODECYLBENZENESULFONIC ACID, SODIUM SALT|Dode|1036266-20-2|11114-21-9|12068-21-2|122390-78-7|12627-25-7|12676-70-9|128452-17-5|1323-13-3|138362-06-8|142986-60-5|147035-77-6|167163-39-5|170006-86-7|177645-67-9|178900-97-5|18618-53-6|189201-38-5|19327-14-1|254117-47-0|28675-02-7|295348-93-5|312629-70-2|352212-18-1|37334-89-7|39316-39-7|39386-98-6|39405-16-8|52624-37-0|56590-39-7|57762-50-2|58517-33-2|60328-33-8|63530-22-3|68445-25-0|71244-85-4|76483-01-7|82028-94-2|82785-43-1|83203-33-2|83652-87-3|83652-88-4|83652-89-5|863016-65-3|863727-58-6|88495-86-7|90452-02-1|906063-68-1|941291-66-3|94187-92-5|950892-60-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025219 https://doi.org/10.22427/NTP-DATA-DTXSID7025219
ERPathway2016 ERPathway2016_130 Sodium dodecylbenzenesulfonate 25155-30-0 DTXSID7025219 ER Pathway Model, Agonist AC50 40.9255460001677 uM Sodium dodecylbenzenesulfonate 25155-30-0|Sodium dodecylbenzenesulfonate|Abeson NAM|Alkanate DC|Anstex MJ 420|Arylan SBC|BENZENE SULFONATE, DODECYL-, SODIUM|BENZENESULFONATE, DODECYL-, SODIUM|Benzenesulfonic acid, dodecyl-, sodium salt|Benzenesulfonic acid, dodecyl-, sodium salt (1:1)|Benzenesulfonic acid, dodecyl, sodium salt|Bio-Soft D 35X|Bio-Soft D 40|Bio-Soft D 40RC|Bio-Soft D 62|Bio-Soft D-35X|Bio-Soft D-40|Bio-Soft LAS 40S|Biosoft 40S|Caflon NAS 30|Caflon SNA|Calsoft 90F|Calsoft F 90|Calsoft F-90|Calsoft L 40|Calsoft L 50|Calsoft L 60|Calsoft L-40|Caswell No. 765|Conco aas-35|Conco aas-35H|Conco aas-40|Conco aas-40S|Conco aas-45S|Conco aas-50|Conoco C 550|Detergent HD-90|Deterlon|Deterlon A|Dobanic 560|dodecilbencenosulfonato de sodio, puro|Dodecyl benzene sodium sulfonate|Dodecyl benzenesulfonic acid, sodium salt|Dodecylbenzene sodium sulfonate|dodecylbenzenesulfonate de sodium|Dodecylbenzenesulfonate de sodium, pur|Dodecylbenzenesulfonate, sodium salt|Dodecylbenzenesulfonic acid sodium salt|Dodecylbenzenesulfonic acid, Na salt|DODECYLBENZENESULFONIC ACID, SODIUM SALT|Dode|1036266-20-2|11114-21-9|12068-21-2|122390-78-7|12627-25-7|12676-70-9|128452-17-5|1323-13-3|138362-06-8|142986-60-5|147035-77-6|167163-39-5|170006-86-7|177645-67-9|178900-97-5|18618-53-6|189201-38-5|19327-14-1|254117-47-0|28675-02-7|295348-93-5|312629-70-2|352212-18-1|37334-89-7|39316-39-7|39386-98-6|39405-16-8|52624-37-0|56590-39-7|57762-50-2|58517-33-2|60328-33-8|63530-22-3|68445-25-0|71244-85-4|76483-01-7|82028-94-2|82785-43-1|83203-33-2|83652-87-3|83652-88-4|83652-89-5|863016-65-3|863727-58-6|88495-86-7|90452-02-1|906063-68-1|941291-66-3|94187-92-5|950892-60-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025219 https://doi.org/10.22427/NTP-DATA-DTXSID7025219
ERPathway2016 ERPathway2016_130 Sodium dodecylbenzenesulfonate 25155-30-0 DTXSID7025219 ER Pathway Model, Agonist ACC 39.5295662666072 uM Sodium dodecylbenzenesulfonate 25155-30-0|Sodium dodecylbenzenesulfonate|Abeson NAM|Alkanate DC|Anstex MJ 420|Arylan SBC|BENZENE SULFONATE, DODECYL-, SODIUM|BENZENESULFONATE, DODECYL-, SODIUM|Benzenesulfonic acid, dodecyl-, sodium salt|Benzenesulfonic acid, dodecyl-, sodium salt (1:1)|Benzenesulfonic acid, dodecyl, sodium salt|Bio-Soft D 35X|Bio-Soft D 40|Bio-Soft D 40RC|Bio-Soft D 62|Bio-Soft D-35X|Bio-Soft D-40|Bio-Soft LAS 40S|Biosoft 40S|Caflon NAS 30|Caflon SNA|Calsoft 90F|Calsoft F 90|Calsoft F-90|Calsoft L 40|Calsoft L 50|Calsoft L 60|Calsoft L-40|Caswell No. 765|Conco aas-35|Conco aas-35H|Conco aas-40|Conco aas-40S|Conco aas-45S|Conco aas-50|Conoco C 550|Detergent HD-90|Deterlon|Deterlon A|Dobanic 560|dodecilbencenosulfonato de sodio, puro|Dodecyl benzene sodium sulfonate|Dodecyl benzenesulfonic acid, sodium salt|Dodecylbenzene sodium sulfonate|dodecylbenzenesulfonate de sodium|Dodecylbenzenesulfonate de sodium, pur|Dodecylbenzenesulfonate, sodium salt|Dodecylbenzenesulfonic acid sodium salt|Dodecylbenzenesulfonic acid, Na salt|DODECYLBENZENESULFONIC ACID, SODIUM SALT|Dode|1036266-20-2|11114-21-9|12068-21-2|122390-78-7|12627-25-7|12676-70-9|128452-17-5|1323-13-3|138362-06-8|142986-60-5|147035-77-6|167163-39-5|170006-86-7|177645-67-9|178900-97-5|18618-53-6|189201-38-5|19327-14-1|254117-47-0|28675-02-7|295348-93-5|312629-70-2|352212-18-1|37334-89-7|39316-39-7|39386-98-6|39405-16-8|52624-37-0|56590-39-7|57762-50-2|58517-33-2|60328-33-8|63530-22-3|68445-25-0|71244-85-4|76483-01-7|82028-94-2|82785-43-1|83203-33-2|83652-87-3|83652-88-4|83652-89-5|863016-65-3|863727-58-6|88495-86-7|90452-02-1|906063-68-1|941291-66-3|94187-92-5|950892-60-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025219 https://doi.org/10.22427/NTP-DATA-DTXSID7025219
ERPathway2016 ERPathway2016_130 Sodium dodecylbenzenesulfonate 25155-30-0 DTXSID7025219 ER Pathway Model, Agonist Model Score 0 Unitless Sodium dodecylbenzenesulfonate 25155-30-0|Sodium dodecylbenzenesulfonate|Abeson NAM|Alkanate DC|Anstex MJ 420|Arylan SBC|BENZENE SULFONATE, DODECYL-, SODIUM|BENZENESULFONATE, DODECYL-, SODIUM|Benzenesulfonic acid, dodecyl-, sodium salt|Benzenesulfonic acid, dodecyl-, sodium salt (1:1)|Benzenesulfonic acid, dodecyl, sodium salt|Bio-Soft D 35X|Bio-Soft D 40|Bio-Soft D 40RC|Bio-Soft D 62|Bio-Soft D-35X|Bio-Soft D-40|Bio-Soft LAS 40S|Biosoft 40S|Caflon NAS 30|Caflon SNA|Calsoft 90F|Calsoft F 90|Calsoft F-90|Calsoft L 40|Calsoft L 50|Calsoft L 60|Calsoft L-40|Caswell No. 765|Conco aas-35|Conco aas-35H|Conco aas-40|Conco aas-40S|Conco aas-45S|Conco aas-50|Conoco C 550|Detergent HD-90|Deterlon|Deterlon A|Dobanic 560|dodecilbencenosulfonato de sodio, puro|Dodecyl benzene sodium sulfonate|Dodecyl benzenesulfonic acid, sodium salt|Dodecylbenzene sodium sulfonate|dodecylbenzenesulfonate de sodium|Dodecylbenzenesulfonate de sodium, pur|Dodecylbenzenesulfonate, sodium salt|Dodecylbenzenesulfonic acid sodium salt|Dodecylbenzenesulfonic acid, Na salt|DODECYLBENZENESULFONIC ACID, SODIUM SALT|Dode|1036266-20-2|11114-21-9|12068-21-2|122390-78-7|12627-25-7|12676-70-9|128452-17-5|1323-13-3|138362-06-8|142986-60-5|147035-77-6|167163-39-5|170006-86-7|177645-67-9|178900-97-5|18618-53-6|189201-38-5|19327-14-1|254117-47-0|28675-02-7|295348-93-5|312629-70-2|352212-18-1|37334-89-7|39316-39-7|39386-98-6|39405-16-8|52624-37-0|56590-39-7|57762-50-2|58517-33-2|60328-33-8|63530-22-3|68445-25-0|71244-85-4|76483-01-7|82028-94-2|82785-43-1|83203-33-2|83652-87-3|83652-88-4|83652-89-5|863016-65-3|863727-58-6|88495-86-7|90452-02-1|906063-68-1|941291-66-3|94187-92-5|950892-60-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025219 https://doi.org/10.22427/NTP-DATA-DTXSID7025219
ERPathway2016 ERPathway2016_130 Sodium dodecylbenzenesulfonate 25155-30-0 DTXSID7025219 ER Pathway Model, Antagonist Model Score 0.0185 Unitless Sodium dodecylbenzenesulfonate 25155-30-0|Sodium dodecylbenzenesulfonate|Abeson NAM|Alkanate DC|Anstex MJ 420|Arylan SBC|BENZENE SULFONATE, DODECYL-, SODIUM|BENZENESULFONATE, DODECYL-, SODIUM|Benzenesulfonic acid, dodecyl-, sodium salt|Benzenesulfonic acid, dodecyl-, sodium salt (1:1)|Benzenesulfonic acid, dodecyl, sodium salt|Bio-Soft D 35X|Bio-Soft D 40|Bio-Soft D 40RC|Bio-Soft D 62|Bio-Soft D-35X|Bio-Soft D-40|Bio-Soft LAS 40S|Biosoft 40S|Caflon NAS 30|Caflon SNA|Calsoft 90F|Calsoft F 90|Calsoft F-90|Calsoft L 40|Calsoft L 50|Calsoft L 60|Calsoft L-40|Caswell No. 765|Conco aas-35|Conco aas-35H|Conco aas-40|Conco aas-40S|Conco aas-45S|Conco aas-50|Conoco C 550|Detergent HD-90|Deterlon|Deterlon A|Dobanic 560|dodecilbencenosulfonato de sodio, puro|Dodecyl benzene sodium sulfonate|Dodecyl benzenesulfonic acid, sodium salt|Dodecylbenzene sodium sulfonate|dodecylbenzenesulfonate de sodium|Dodecylbenzenesulfonate de sodium, pur|Dodecylbenzenesulfonate, sodium salt|Dodecylbenzenesulfonic acid sodium salt|Dodecylbenzenesulfonic acid, Na salt|DODECYLBENZENESULFONIC ACID, SODIUM SALT|Dode|1036266-20-2|11114-21-9|12068-21-2|122390-78-7|12627-25-7|12676-70-9|128452-17-5|1323-13-3|138362-06-8|142986-60-5|147035-77-6|167163-39-5|170006-86-7|177645-67-9|178900-97-5|18618-53-6|189201-38-5|19327-14-1|254117-47-0|28675-02-7|295348-93-5|312629-70-2|352212-18-1|37334-89-7|39316-39-7|39386-98-6|39405-16-8|52624-37-0|56590-39-7|57762-50-2|58517-33-2|60328-33-8|63530-22-3|68445-25-0|71244-85-4|76483-01-7|82028-94-2|82785-43-1|83203-33-2|83652-87-3|83652-88-4|83652-89-5|863016-65-3|863727-58-6|88495-86-7|90452-02-1|906063-68-1|941291-66-3|94187-92-5|950892-60-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025219 https://doi.org/10.22427/NTP-DATA-DTXSID7025219
ERPathway2016 ERPathway2016_130 Sodium dodecylbenzenesulfonate 25155-30-0 DTXSID7025219 ER Pathway Model, Agonist Call Active Unitless Sodium dodecylbenzenesulfonate 25155-30-0|Sodium dodecylbenzenesulfonate|Abeson NAM|Alkanate DC|Anstex MJ 420|Arylan SBC|BENZENE SULFONATE, DODECYL-, SODIUM|BENZENESULFONATE, DODECYL-, SODIUM|Benzenesulfonic acid, dodecyl-, sodium salt|Benzenesulfonic acid, dodecyl-, sodium salt (1:1)|Benzenesulfonic acid, dodecyl, sodium salt|Bio-Soft D 35X|Bio-Soft D 40|Bio-Soft D 40RC|Bio-Soft D 62|Bio-Soft D-35X|Bio-Soft D-40|Bio-Soft LAS 40S|Biosoft 40S|Caflon NAS 30|Caflon SNA|Calsoft 90F|Calsoft F 90|Calsoft F-90|Calsoft L 40|Calsoft L 50|Calsoft L 60|Calsoft L-40|Caswell No. 765|Conco aas-35|Conco aas-35H|Conco aas-40|Conco aas-40S|Conco aas-45S|Conco aas-50|Conoco C 550|Detergent HD-90|Deterlon|Deterlon A|Dobanic 560|dodecilbencenosulfonato de sodio, puro|Dodecyl benzene sodium sulfonate|Dodecyl benzenesulfonic acid, sodium salt|Dodecylbenzene sodium sulfonate|dodecylbenzenesulfonate de sodium|Dodecylbenzenesulfonate de sodium, pur|Dodecylbenzenesulfonate, sodium salt|Dodecylbenzenesulfonic acid sodium salt|Dodecylbenzenesulfonic acid, Na salt|DODECYLBENZENESULFONIC ACID, SODIUM SALT|Dode|1036266-20-2|11114-21-9|12068-21-2|122390-78-7|12627-25-7|12676-70-9|128452-17-5|1323-13-3|138362-06-8|142986-60-5|147035-77-6|167163-39-5|170006-86-7|177645-67-9|178900-97-5|18618-53-6|189201-38-5|19327-14-1|254117-47-0|28675-02-7|295348-93-5|312629-70-2|352212-18-1|37334-89-7|39316-39-7|39386-98-6|39405-16-8|52624-37-0|56590-39-7|57762-50-2|58517-33-2|60328-33-8|63530-22-3|68445-25-0|71244-85-4|76483-01-7|82028-94-2|82785-43-1|83203-33-2|83652-87-3|83652-88-4|83652-89-5|863016-65-3|863727-58-6|88495-86-7|90452-02-1|906063-68-1|941291-66-3|94187-92-5|950892-60-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025219 https://doi.org/10.22427/NTP-DATA-DTXSID7025219
ERPathway2016 ERPathway2016_130 Sodium dodecylbenzenesulfonate 25155-30-0 DTXSID7025219 ER Pathway Model, Antagonist Call Inactive Unitless Sodium dodecylbenzenesulfonate 25155-30-0|Sodium dodecylbenzenesulfonate|Abeson NAM|Alkanate DC|Anstex MJ 420|Arylan SBC|BENZENE SULFONATE, DODECYL-, SODIUM|BENZENESULFONATE, DODECYL-, SODIUM|Benzenesulfonic acid, dodecyl-, sodium salt|Benzenesulfonic acid, dodecyl-, sodium salt (1:1)|Benzenesulfonic acid, dodecyl, sodium salt|Bio-Soft D 35X|Bio-Soft D 40|Bio-Soft D 40RC|Bio-Soft D 62|Bio-Soft D-35X|Bio-Soft D-40|Bio-Soft LAS 40S|Biosoft 40S|Caflon NAS 30|Caflon SNA|Calsoft 90F|Calsoft F 90|Calsoft F-90|Calsoft L 40|Calsoft L 50|Calsoft L 60|Calsoft L-40|Caswell No. 765|Conco aas-35|Conco aas-35H|Conco aas-40|Conco aas-40S|Conco aas-45S|Conco aas-50|Conoco C 550|Detergent HD-90|Deterlon|Deterlon A|Dobanic 560|dodecilbencenosulfonato de sodio, puro|Dodecyl benzene sodium sulfonate|Dodecyl benzenesulfonic acid, sodium salt|Dodecylbenzene sodium sulfonate|dodecylbenzenesulfonate de sodium|Dodecylbenzenesulfonate de sodium, pur|Dodecylbenzenesulfonate, sodium salt|Dodecylbenzenesulfonic acid sodium salt|Dodecylbenzenesulfonic acid, Na salt|DODECYLBENZENESULFONIC ACID, SODIUM SALT|Dode|1036266-20-2|11114-21-9|12068-21-2|122390-78-7|12627-25-7|12676-70-9|128452-17-5|1323-13-3|138362-06-8|142986-60-5|147035-77-6|167163-39-5|170006-86-7|177645-67-9|178900-97-5|18618-53-6|189201-38-5|19327-14-1|254117-47-0|28675-02-7|295348-93-5|312629-70-2|352212-18-1|37334-89-7|39316-39-7|39386-98-6|39405-16-8|52624-37-0|56590-39-7|57762-50-2|58517-33-2|60328-33-8|63530-22-3|68445-25-0|71244-85-4|76483-01-7|82028-94-2|82785-43-1|83203-33-2|83652-87-3|83652-88-4|83652-89-5|863016-65-3|863727-58-6|88495-86-7|90452-02-1|906063-68-1|941291-66-3|94187-92-5|950892-60-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7025219 https://doi.org/10.22427/NTP-DATA-DTXSID7025219
ARPathway2016 ARPathway2016_1434 Sodium erythorbate 6381-77-7 DTXSID5020570 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].OC[C@@H](O)[C@H]1OC(=O)C(O)=C1[O-] Sodium erythorbate 6381-77-7|Sodium erythorbate|2,3-didehidro-3-O-sodio-D-eritro-hexono-1,4-lactona|2,3-Didehydro-3-O-natrio-D-erythro-hexono-1,4-lacton|2,3-Didehydro-3-O-sodio-D- erythro-hexono-1,4-lactone|2,3-didehydro-3-O-sodio-D-erythro-hexono-1,4-lactone|Araboascorbic acid, monosodium salt, D-|D-erythro-Hex-2-enoic acid, g-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, .gamma.-lactone, sodium salt (1:1)|D-Erythro-hex-2-enonic acid, gamma-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, gamma-lactone, sodium salt (1:1)|D-erythro-Hex-2-enonic acid, g-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, g-lactone, sodium salt (1:1)|D-ISOASCORBIC ACID, SODIUM SALT|EINECS 228-973-9|Erbit N|Eribate N|Erythorbic acid sodium salt|Hex-2-enonic acid gamma-lactone, D-erythro-, monosodium salt|ISOASCORBATE, SODIUM|Isoascorbic acid sodium salt|Monosodium D-erythro-hex-2-enonic acid gamma-lactone|Neo-Cebitate|Sodium D-isoascorbate|SODIUM ERYTHORBATE|Sodium erythorbate (1:1)|Sodium erythorbate (D-erythro-Hex-2-enonic acid, .gamma.-lactone, monosodium|8003-96-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020570 https://doi.org/10.22427/NTP-DATA-DTXSID5020570
ARPathway2016 ARPathway2016_1434 Sodium erythorbate 6381-77-7 DTXSID5020570 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].OC[C@@H](O)[C@H]1OC(=O)C(O)=C1[O-] Sodium erythorbate 6381-77-7|Sodium erythorbate|2,3-didehidro-3-O-sodio-D-eritro-hexono-1,4-lactona|2,3-Didehydro-3-O-natrio-D-erythro-hexono-1,4-lacton|2,3-Didehydro-3-O-sodio-D- erythro-hexono-1,4-lactone|2,3-didehydro-3-O-sodio-D-erythro-hexono-1,4-lactone|Araboascorbic acid, monosodium salt, D-|D-erythro-Hex-2-enoic acid, g-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, .gamma.-lactone, sodium salt (1:1)|D-Erythro-hex-2-enonic acid, gamma-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, gamma-lactone, sodium salt (1:1)|D-erythro-Hex-2-enonic acid, g-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, g-lactone, sodium salt (1:1)|D-ISOASCORBIC ACID, SODIUM SALT|EINECS 228-973-9|Erbit N|Eribate N|Erythorbic acid sodium salt|Hex-2-enonic acid gamma-lactone, D-erythro-, monosodium salt|ISOASCORBATE, SODIUM|Isoascorbic acid sodium salt|Monosodium D-erythro-hex-2-enonic acid gamma-lactone|Neo-Cebitate|Sodium D-isoascorbate|SODIUM ERYTHORBATE|Sodium erythorbate (1:1)|Sodium erythorbate (D-erythro-Hex-2-enonic acid, .gamma.-lactone, monosodium|8003-96-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020570 https://doi.org/10.22427/NTP-DATA-DTXSID5020570
ARPathway2016 ARPathway2016_1434 Sodium erythorbate 6381-77-7 DTXSID5020570 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].OC[C@@H](O)[C@H]1OC(=O)C(O)=C1[O-] Sodium erythorbate 6381-77-7|Sodium erythorbate|2,3-didehidro-3-O-sodio-D-eritro-hexono-1,4-lactona|2,3-Didehydro-3-O-natrio-D-erythro-hexono-1,4-lacton|2,3-Didehydro-3-O-sodio-D- erythro-hexono-1,4-lactone|2,3-didehydro-3-O-sodio-D-erythro-hexono-1,4-lactone|Araboascorbic acid, monosodium salt, D-|D-erythro-Hex-2-enoic acid, g-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, .gamma.-lactone, sodium salt (1:1)|D-Erythro-hex-2-enonic acid, gamma-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, gamma-lactone, sodium salt (1:1)|D-erythro-Hex-2-enonic acid, g-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, g-lactone, sodium salt (1:1)|D-ISOASCORBIC ACID, SODIUM SALT|EINECS 228-973-9|Erbit N|Eribate N|Erythorbic acid sodium salt|Hex-2-enonic acid gamma-lactone, D-erythro-, monosodium salt|ISOASCORBATE, SODIUM|Isoascorbic acid sodium salt|Monosodium D-erythro-hex-2-enonic acid gamma-lactone|Neo-Cebitate|Sodium D-isoascorbate|SODIUM ERYTHORBATE|Sodium erythorbate (1:1)|Sodium erythorbate (D-erythro-Hex-2-enonic acid, .gamma.-lactone, monosodium|8003-96-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020570 https://doi.org/10.22427/NTP-DATA-DTXSID5020570
ARPathway2016 ARPathway2016_1434 Sodium erythorbate 6381-77-7 DTXSID5020570 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].OC[C@@H](O)[C@H]1OC(=O)C(O)=C1[O-] Sodium erythorbate 6381-77-7|Sodium erythorbate|2,3-didehidro-3-O-sodio-D-eritro-hexono-1,4-lactona|2,3-Didehydro-3-O-natrio-D-erythro-hexono-1,4-lacton|2,3-Didehydro-3-O-sodio-D- erythro-hexono-1,4-lactone|2,3-didehydro-3-O-sodio-D-erythro-hexono-1,4-lactone|Araboascorbic acid, monosodium salt, D-|D-erythro-Hex-2-enoic acid, g-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, .gamma.-lactone, sodium salt (1:1)|D-Erythro-hex-2-enonic acid, gamma-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, gamma-lactone, sodium salt (1:1)|D-erythro-Hex-2-enonic acid, g-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, g-lactone, sodium salt (1:1)|D-ISOASCORBIC ACID, SODIUM SALT|EINECS 228-973-9|Erbit N|Eribate N|Erythorbic acid sodium salt|Hex-2-enonic acid gamma-lactone, D-erythro-, monosodium salt|ISOASCORBATE, SODIUM|Isoascorbic acid sodium salt|Monosodium D-erythro-hex-2-enonic acid gamma-lactone|Neo-Cebitate|Sodium D-isoascorbate|SODIUM ERYTHORBATE|Sodium erythorbate (1:1)|Sodium erythorbate (D-erythro-Hex-2-enonic acid, .gamma.-lactone, monosodium|8003-96-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020570 https://doi.org/10.22427/NTP-DATA-DTXSID5020570
ERPathway2016 ERPathway2016_846 Sodium erythorbate 6381-77-7 DTXSID5020570 R6 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].OC[C@@H](O)[C@H]1OC(=O)C(O)=C1[O-] Sodium erythorbate 6381-77-7|Sodium erythorbate|2,3-didehidro-3-O-sodio-D-eritro-hexono-1,4-lactona|2,3-Didehydro-3-O-natrio-D-erythro-hexono-1,4-lacton|2,3-Didehydro-3-O-sodio-D- erythro-hexono-1,4-lactone|2,3-didehydro-3-O-sodio-D-erythro-hexono-1,4-lactone|Araboascorbic acid, monosodium salt, D-|D-erythro-Hex-2-enoic acid, g-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, .gamma.-lactone, sodium salt (1:1)|D-Erythro-hex-2-enonic acid, gamma-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, gamma-lactone, sodium salt (1:1)|D-erythro-Hex-2-enonic acid, g-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, g-lactone, sodium salt (1:1)|D-ISOASCORBIC ACID, SODIUM SALT|EINECS 228-973-9|Erbit N|Eribate N|Erythorbic acid sodium salt|Hex-2-enonic acid gamma-lactone, D-erythro-, monosodium salt|ISOASCORBATE, SODIUM|Isoascorbic acid sodium salt|Monosodium D-erythro-hex-2-enonic acid gamma-lactone|Neo-Cebitate|Sodium D-isoascorbate|SODIUM ERYTHORBATE|Sodium erythorbate (1:1)|Sodium erythorbate (D-erythro-Hex-2-enonic acid, .gamma.-lactone, monosodium|8003-96-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020570 https://doi.org/10.22427/NTP-DATA-DTXSID5020570
ERPathway2016 ERPathway2016_846 Sodium erythorbate 6381-77-7 DTXSID5020570 R6 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].OC[C@@H](O)[C@H]1OC(=O)C(O)=C1[O-] Sodium erythorbate 6381-77-7|Sodium erythorbate|2,3-didehidro-3-O-sodio-D-eritro-hexono-1,4-lactona|2,3-Didehydro-3-O-natrio-D-erythro-hexono-1,4-lacton|2,3-Didehydro-3-O-sodio-D- erythro-hexono-1,4-lactone|2,3-didehydro-3-O-sodio-D-erythro-hexono-1,4-lactone|Araboascorbic acid, monosodium salt, D-|D-erythro-Hex-2-enoic acid, g-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, .gamma.-lactone, sodium salt (1:1)|D-Erythro-hex-2-enonic acid, gamma-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, gamma-lactone, sodium salt (1:1)|D-erythro-Hex-2-enonic acid, g-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, g-lactone, sodium salt (1:1)|D-ISOASCORBIC ACID, SODIUM SALT|EINECS 228-973-9|Erbit N|Eribate N|Erythorbic acid sodium salt|Hex-2-enonic acid gamma-lactone, D-erythro-, monosodium salt|ISOASCORBATE, SODIUM|Isoascorbic acid sodium salt|Monosodium D-erythro-hex-2-enonic acid gamma-lactone|Neo-Cebitate|Sodium D-isoascorbate|SODIUM ERYTHORBATE|Sodium erythorbate (1:1)|Sodium erythorbate (D-erythro-Hex-2-enonic acid, .gamma.-lactone, monosodium|8003-96-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020570 https://doi.org/10.22427/NTP-DATA-DTXSID5020570
ERPathway2016 ERPathway2016_846 Sodium erythorbate 6381-77-7 DTXSID5020570 R6 ER Pathway Model, Agonist Call Inactive Unitless [Na+].OC[C@@H](O)[C@H]1OC(=O)C(O)=C1[O-] Sodium erythorbate 6381-77-7|Sodium erythorbate|2,3-didehidro-3-O-sodio-D-eritro-hexono-1,4-lactona|2,3-Didehydro-3-O-natrio-D-erythro-hexono-1,4-lacton|2,3-Didehydro-3-O-sodio-D- erythro-hexono-1,4-lactone|2,3-didehydro-3-O-sodio-D-erythro-hexono-1,4-lactone|Araboascorbic acid, monosodium salt, D-|D-erythro-Hex-2-enoic acid, g-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, .gamma.-lactone, sodium salt (1:1)|D-Erythro-hex-2-enonic acid, gamma-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, gamma-lactone, sodium salt (1:1)|D-erythro-Hex-2-enonic acid, g-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, g-lactone, sodium salt (1:1)|D-ISOASCORBIC ACID, SODIUM SALT|EINECS 228-973-9|Erbit N|Eribate N|Erythorbic acid sodium salt|Hex-2-enonic acid gamma-lactone, D-erythro-, monosodium salt|ISOASCORBATE, SODIUM|Isoascorbic acid sodium salt|Monosodium D-erythro-hex-2-enonic acid gamma-lactone|Neo-Cebitate|Sodium D-isoascorbate|SODIUM ERYTHORBATE|Sodium erythorbate (1:1)|Sodium erythorbate (D-erythro-Hex-2-enonic acid, .gamma.-lactone, monosodium|8003-96-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020570 https://doi.org/10.22427/NTP-DATA-DTXSID5020570
ERPathway2016 ERPathway2016_846 Sodium erythorbate 6381-77-7 DTXSID5020570 R6 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].OC[C@@H](O)[C@H]1OC(=O)C(O)=C1[O-] Sodium erythorbate 6381-77-7|Sodium erythorbate|2,3-didehidro-3-O-sodio-D-eritro-hexono-1,4-lactona|2,3-Didehydro-3-O-natrio-D-erythro-hexono-1,4-lacton|2,3-Didehydro-3-O-sodio-D- erythro-hexono-1,4-lactone|2,3-didehydro-3-O-sodio-D-erythro-hexono-1,4-lactone|Araboascorbic acid, monosodium salt, D-|D-erythro-Hex-2-enoic acid, g-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, .gamma.-lactone, sodium salt (1:1)|D-Erythro-hex-2-enonic acid, gamma-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, gamma-lactone, sodium salt (1:1)|D-erythro-Hex-2-enonic acid, g-lactone, monosodium salt|D-erythro-Hex-2-enonic acid, g-lactone, sodium salt (1:1)|D-ISOASCORBIC ACID, SODIUM SALT|EINECS 228-973-9|Erbit N|Eribate N|Erythorbic acid sodium salt|Hex-2-enonic acid gamma-lactone, D-erythro-, monosodium salt|ISOASCORBATE, SODIUM|Isoascorbic acid sodium salt|Monosodium D-erythro-hex-2-enonic acid gamma-lactone|Neo-Cebitate|Sodium D-isoascorbate|SODIUM ERYTHORBATE|Sodium erythorbate (1:1)|Sodium erythorbate (D-erythro-Hex-2-enonic acid, .gamma.-lactone, monosodium|8003-96-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020570 https://doi.org/10.22427/NTP-DATA-DTXSID5020570
ARPathway2016 ARPathway2016_751 Sodium ethasulfate 126-92-1 DTXSID1026033 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCC(CC)COS([O-])(=O)=O Sodium ethasulfate 126-92-1|Sodium ethasulfate|08-Union carbide|1-Hexanol, 2-ethyl-, sulfate, sodium salt|2-Ethyl-1-hexanol sodium sulfate|2-Ethyl-1-hexanol sulfate sodium salt|2-Ethylhexyl sodium sulfate|2-Ethylhexylsiran sodny|2-Ethylhexylsulfate sodium|EINECS 204-812-8|Emcol D 5-10|Emersal 6465|Etasulfate de sodium|Etasulfato sodico|Ethasulfate sodium|Mono(2-ethylhexyl)sulfate sodium salt|Natrii etasulfas|NCI-C50204|NIA proof 08|NSC 4744|Pentrone ON|Propaste 6708|Sipex bos|Sodium (2-ethylhexyl)alcohol sulfate|Sodium mono(2-ethylhexyl) sulfate|Sodium octyl sulfate, iso|Sodium(2-ethylhexyl)alcohol sulfate|Sole Tege TS-25|Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt|Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt (1:1)|Tergitol 08|Tergitol anionic 08|UNII-12838560LI|11099-08-4|75037-31-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026033 https://doi.org/10.22427/NTP-DATA-DTXSID1026033
ARPathway2016 ARPathway2016_751 Sodium ethasulfate 126-92-1 DTXSID1026033 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCC(CC)COS([O-])(=O)=O Sodium ethasulfate 126-92-1|Sodium ethasulfate|08-Union carbide|1-Hexanol, 2-ethyl-, sulfate, sodium salt|2-Ethyl-1-hexanol sodium sulfate|2-Ethyl-1-hexanol sulfate sodium salt|2-Ethylhexyl sodium sulfate|2-Ethylhexylsiran sodny|2-Ethylhexylsulfate sodium|EINECS 204-812-8|Emcol D 5-10|Emersal 6465|Etasulfate de sodium|Etasulfato sodico|Ethasulfate sodium|Mono(2-ethylhexyl)sulfate sodium salt|Natrii etasulfas|NCI-C50204|NIA proof 08|NSC 4744|Pentrone ON|Propaste 6708|Sipex bos|Sodium (2-ethylhexyl)alcohol sulfate|Sodium mono(2-ethylhexyl) sulfate|Sodium octyl sulfate, iso|Sodium(2-ethylhexyl)alcohol sulfate|Sole Tege TS-25|Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt|Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt (1:1)|Tergitol 08|Tergitol anionic 08|UNII-12838560LI|11099-08-4|75037-31-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026033 https://doi.org/10.22427/NTP-DATA-DTXSID1026033
ARPathway2016 ARPathway2016_751 Sodium ethasulfate 126-92-1 DTXSID1026033 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCC(CC)COS([O-])(=O)=O Sodium ethasulfate 126-92-1|Sodium ethasulfate|08-Union carbide|1-Hexanol, 2-ethyl-, sulfate, sodium salt|2-Ethyl-1-hexanol sodium sulfate|2-Ethyl-1-hexanol sulfate sodium salt|2-Ethylhexyl sodium sulfate|2-Ethylhexylsiran sodny|2-Ethylhexylsulfate sodium|EINECS 204-812-8|Emcol D 5-10|Emersal 6465|Etasulfate de sodium|Etasulfato sodico|Ethasulfate sodium|Mono(2-ethylhexyl)sulfate sodium salt|Natrii etasulfas|NCI-C50204|NIA proof 08|NSC 4744|Pentrone ON|Propaste 6708|Sipex bos|Sodium (2-ethylhexyl)alcohol sulfate|Sodium mono(2-ethylhexyl) sulfate|Sodium octyl sulfate, iso|Sodium(2-ethylhexyl)alcohol sulfate|Sole Tege TS-25|Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt|Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt (1:1)|Tergitol 08|Tergitol anionic 08|UNII-12838560LI|11099-08-4|75037-31-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026033 https://doi.org/10.22427/NTP-DATA-DTXSID1026033
ARPathway2016 ARPathway2016_751 Sodium ethasulfate 126-92-1 DTXSID1026033 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCC(CC)COS([O-])(=O)=O Sodium ethasulfate 126-92-1|Sodium ethasulfate|08-Union carbide|1-Hexanol, 2-ethyl-, sulfate, sodium salt|2-Ethyl-1-hexanol sodium sulfate|2-Ethyl-1-hexanol sulfate sodium salt|2-Ethylhexyl sodium sulfate|2-Ethylhexylsiran sodny|2-Ethylhexylsulfate sodium|EINECS 204-812-8|Emcol D 5-10|Emersal 6465|Etasulfate de sodium|Etasulfato sodico|Ethasulfate sodium|Mono(2-ethylhexyl)sulfate sodium salt|Natrii etasulfas|NCI-C50204|NIA proof 08|NSC 4744|Pentrone ON|Propaste 6708|Sipex bos|Sodium (2-ethylhexyl)alcohol sulfate|Sodium mono(2-ethylhexyl) sulfate|Sodium octyl sulfate, iso|Sodium(2-ethylhexyl)alcohol sulfate|Sole Tege TS-25|Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt|Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt (1:1)|Tergitol 08|Tergitol anionic 08|UNII-12838560LI|11099-08-4|75037-31-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026033 https://doi.org/10.22427/NTP-DATA-DTXSID1026033
ERPathway2016 ERPathway2016_1258 Sodium ethasulfate 126-92-1 DTXSID1026033 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCC(CC)COS([O-])(=O)=O Sodium ethasulfate 126-92-1|Sodium ethasulfate|08-Union carbide|1-Hexanol, 2-ethyl-, sulfate, sodium salt|2-Ethyl-1-hexanol sodium sulfate|2-Ethyl-1-hexanol sulfate sodium salt|2-Ethylhexyl sodium sulfate|2-Ethylhexylsiran sodny|2-Ethylhexylsulfate sodium|EINECS 204-812-8|Emcol D 5-10|Emersal 6465|Etasulfate de sodium|Etasulfato sodico|Ethasulfate sodium|Mono(2-ethylhexyl)sulfate sodium salt|Natrii etasulfas|NCI-C50204|NIA proof 08|NSC 4744|Pentrone ON|Propaste 6708|Sipex bos|Sodium (2-ethylhexyl)alcohol sulfate|Sodium mono(2-ethylhexyl) sulfate|Sodium octyl sulfate, iso|Sodium(2-ethylhexyl)alcohol sulfate|Sole Tege TS-25|Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt|Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt (1:1)|Tergitol 08|Tergitol anionic 08|UNII-12838560LI|11099-08-4|75037-31-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026033 https://doi.org/10.22427/NTP-DATA-DTXSID1026033
ERPathway2016 ERPathway2016_1258 Sodium ethasulfate 126-92-1 DTXSID1026033 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCC(CC)COS([O-])(=O)=O Sodium ethasulfate 126-92-1|Sodium ethasulfate|08-Union carbide|1-Hexanol, 2-ethyl-, sulfate, sodium salt|2-Ethyl-1-hexanol sodium sulfate|2-Ethyl-1-hexanol sulfate sodium salt|2-Ethylhexyl sodium sulfate|2-Ethylhexylsiran sodny|2-Ethylhexylsulfate sodium|EINECS 204-812-8|Emcol D 5-10|Emersal 6465|Etasulfate de sodium|Etasulfato sodico|Ethasulfate sodium|Mono(2-ethylhexyl)sulfate sodium salt|Natrii etasulfas|NCI-C50204|NIA proof 08|NSC 4744|Pentrone ON|Propaste 6708|Sipex bos|Sodium (2-ethylhexyl)alcohol sulfate|Sodium mono(2-ethylhexyl) sulfate|Sodium octyl sulfate, iso|Sodium(2-ethylhexyl)alcohol sulfate|Sole Tege TS-25|Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt|Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt (1:1)|Tergitol 08|Tergitol anionic 08|UNII-12838560LI|11099-08-4|75037-31-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026033 https://doi.org/10.22427/NTP-DATA-DTXSID1026033
ERPathway2016 ERPathway2016_1258 Sodium ethasulfate 126-92-1 DTXSID1026033 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCC(CC)COS([O-])(=O)=O Sodium ethasulfate 126-92-1|Sodium ethasulfate|08-Union carbide|1-Hexanol, 2-ethyl-, sulfate, sodium salt|2-Ethyl-1-hexanol sodium sulfate|2-Ethyl-1-hexanol sulfate sodium salt|2-Ethylhexyl sodium sulfate|2-Ethylhexylsiran sodny|2-Ethylhexylsulfate sodium|EINECS 204-812-8|Emcol D 5-10|Emersal 6465|Etasulfate de sodium|Etasulfato sodico|Ethasulfate sodium|Mono(2-ethylhexyl)sulfate sodium salt|Natrii etasulfas|NCI-C50204|NIA proof 08|NSC 4744|Pentrone ON|Propaste 6708|Sipex bos|Sodium (2-ethylhexyl)alcohol sulfate|Sodium mono(2-ethylhexyl) sulfate|Sodium octyl sulfate, iso|Sodium(2-ethylhexyl)alcohol sulfate|Sole Tege TS-25|Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt|Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt (1:1)|Tergitol 08|Tergitol anionic 08|UNII-12838560LI|11099-08-4|75037-31-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026033 https://doi.org/10.22427/NTP-DATA-DTXSID1026033
ERPathway2016 ERPathway2016_1258 Sodium ethasulfate 126-92-1 DTXSID1026033 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCC(CC)COS([O-])(=O)=O Sodium ethasulfate 126-92-1|Sodium ethasulfate|08-Union carbide|1-Hexanol, 2-ethyl-, sulfate, sodium salt|2-Ethyl-1-hexanol sodium sulfate|2-Ethyl-1-hexanol sulfate sodium salt|2-Ethylhexyl sodium sulfate|2-Ethylhexylsiran sodny|2-Ethylhexylsulfate sodium|EINECS 204-812-8|Emcol D 5-10|Emersal 6465|Etasulfate de sodium|Etasulfato sodico|Ethasulfate sodium|Mono(2-ethylhexyl)sulfate sodium salt|Natrii etasulfas|NCI-C50204|NIA proof 08|NSC 4744|Pentrone ON|Propaste 6708|Sipex bos|Sodium (2-ethylhexyl)alcohol sulfate|Sodium mono(2-ethylhexyl) sulfate|Sodium octyl sulfate, iso|Sodium(2-ethylhexyl)alcohol sulfate|Sole Tege TS-25|Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt|Sulfuric acid, mono(2-ethylhexyl) ester, sodium salt (1:1)|Tergitol 08|Tergitol anionic 08|UNII-12838560LI|11099-08-4|75037-31-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026033 https://doi.org/10.22427/NTP-DATA-DTXSID1026033
ARPathway2016 ARPathway2016_1418 Sodium fluoroacetate 62-74-8 DTXSID8024311 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C(=O)CF Sodium fluoroacetate 62-74-8|Sodium fluoroacetate|1080|Acetic acid, 2-fluoro-, sodium salt (1:1)|Caswell No. 770|Compound 1080|EINECS 200-548-2|EPA Pesticide Chemical Code 075003|Fluorakil 3|Fluoroacetate de sodium|fluoroacetic acid sodium salt|Fluoroacetic acid, sodium salt|Fluoroctan sodny|Furatol|Monofluoressigsaures natrium|Natriumfluoracetaat|Natriumfluoracetat|NSC 77690|Ratbane 1080|RCRA waste number P058|Sodio, fluoracetato di|Sodium fluoacetate|Sodium fluoacetic acid|Sodium fluoracetate|Sodium fluoroacetate de|Sodium monofluoroacetate|UNII-166WTM3843|Yasoknock https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024311
ARPathway2016 ARPathway2016_1418 Sodium fluoroacetate 62-74-8 DTXSID8024311 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C(=O)CF Sodium fluoroacetate 62-74-8|Sodium fluoroacetate|1080|Acetic acid, 2-fluoro-, sodium salt (1:1)|Caswell No. 770|Compound 1080|EINECS 200-548-2|EPA Pesticide Chemical Code 075003|Fluorakil 3|Fluoroacetate de sodium|fluoroacetic acid sodium salt|Fluoroacetic acid, sodium salt|Fluoroctan sodny|Furatol|Monofluoressigsaures natrium|Natriumfluoracetaat|Natriumfluoracetat|NSC 77690|Ratbane 1080|RCRA waste number P058|Sodio, fluoracetato di|Sodium fluoacetate|Sodium fluoacetic acid|Sodium fluoracetate|Sodium fluoroacetate de|Sodium monofluoroacetate|UNII-166WTM3843|Yasoknock https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024311
ARPathway2016 ARPathway2016_1418 Sodium fluoroacetate 62-74-8 DTXSID8024311 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C(=O)CF Sodium fluoroacetate 62-74-8|Sodium fluoroacetate|1080|Acetic acid, 2-fluoro-, sodium salt (1:1)|Caswell No. 770|Compound 1080|EINECS 200-548-2|EPA Pesticide Chemical Code 075003|Fluorakil 3|Fluoroacetate de sodium|fluoroacetic acid sodium salt|Fluoroacetic acid, sodium salt|Fluoroctan sodny|Furatol|Monofluoressigsaures natrium|Natriumfluoracetaat|Natriumfluoracetat|NSC 77690|Ratbane 1080|RCRA waste number P058|Sodio, fluoracetato di|Sodium fluoacetate|Sodium fluoacetic acid|Sodium fluoracetate|Sodium fluoroacetate de|Sodium monofluoroacetate|UNII-166WTM3843|Yasoknock https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024311
ARPathway2016 ARPathway2016_1418 Sodium fluoroacetate 62-74-8 DTXSID8024311 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C(=O)CF Sodium fluoroacetate 62-74-8|Sodium fluoroacetate|1080|Acetic acid, 2-fluoro-, sodium salt (1:1)|Caswell No. 770|Compound 1080|EINECS 200-548-2|EPA Pesticide Chemical Code 075003|Fluorakil 3|Fluoroacetate de sodium|fluoroacetic acid sodium salt|Fluoroacetic acid, sodium salt|Fluoroctan sodny|Furatol|Monofluoressigsaures natrium|Natriumfluoracetaat|Natriumfluoracetat|NSC 77690|Ratbane 1080|RCRA waste number P058|Sodio, fluoracetato di|Sodium fluoacetate|Sodium fluoacetic acid|Sodium fluoracetate|Sodium fluoroacetate de|Sodium monofluoroacetate|UNII-166WTM3843|Yasoknock https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024311
ERPathway2016 ERPathway2016_1582 Sodium fluoroacetate 62-74-8 DTXSID8024311 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C(=O)CF Sodium fluoroacetate 62-74-8|Sodium fluoroacetate|1080|Acetic acid, 2-fluoro-, sodium salt (1:1)|Caswell No. 770|Compound 1080|EINECS 200-548-2|EPA Pesticide Chemical Code 075003|Fluorakil 3|Fluoroacetate de sodium|fluoroacetic acid sodium salt|Fluoroacetic acid, sodium salt|Fluoroctan sodny|Furatol|Monofluoressigsaures natrium|Natriumfluoracetaat|Natriumfluoracetat|NSC 77690|Ratbane 1080|RCRA waste number P058|Sodio, fluoracetato di|Sodium fluoacetate|Sodium fluoacetic acid|Sodium fluoracetate|Sodium fluoroacetate de|Sodium monofluoroacetate|UNII-166WTM3843|Yasoknock https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024311
ERPathway2016 ERPathway2016_1582 Sodium fluoroacetate 62-74-8 DTXSID8024311 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C(=O)CF Sodium fluoroacetate 62-74-8|Sodium fluoroacetate|1080|Acetic acid, 2-fluoro-, sodium salt (1:1)|Caswell No. 770|Compound 1080|EINECS 200-548-2|EPA Pesticide Chemical Code 075003|Fluorakil 3|Fluoroacetate de sodium|fluoroacetic acid sodium salt|Fluoroacetic acid, sodium salt|Fluoroctan sodny|Furatol|Monofluoressigsaures natrium|Natriumfluoracetaat|Natriumfluoracetat|NSC 77690|Ratbane 1080|RCRA waste number P058|Sodio, fluoracetato di|Sodium fluoacetate|Sodium fluoacetic acid|Sodium fluoracetate|Sodium fluoroacetate de|Sodium monofluoroacetate|UNII-166WTM3843|Yasoknock https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024311
ERPathway2016 ERPathway2016_1582 Sodium fluoroacetate 62-74-8 DTXSID8024311 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C(=O)CF Sodium fluoroacetate 62-74-8|Sodium fluoroacetate|1080|Acetic acid, 2-fluoro-, sodium salt (1:1)|Caswell No. 770|Compound 1080|EINECS 200-548-2|EPA Pesticide Chemical Code 075003|Fluorakil 3|Fluoroacetate de sodium|fluoroacetic acid sodium salt|Fluoroacetic acid, sodium salt|Fluoroctan sodny|Furatol|Monofluoressigsaures natrium|Natriumfluoracetaat|Natriumfluoracetat|NSC 77690|Ratbane 1080|RCRA waste number P058|Sodio, fluoracetato di|Sodium fluoacetate|Sodium fluoacetic acid|Sodium fluoracetate|Sodium fluoroacetate de|Sodium monofluoroacetate|UNII-166WTM3843|Yasoknock https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024311
ERPathway2016 ERPathway2016_1582 Sodium fluoroacetate 62-74-8 DTXSID8024311 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C(=O)CF Sodium fluoroacetate 62-74-8|Sodium fluoroacetate|1080|Acetic acid, 2-fluoro-, sodium salt (1:1)|Caswell No. 770|Compound 1080|EINECS 200-548-2|EPA Pesticide Chemical Code 075003|Fluorakil 3|Fluoroacetate de sodium|fluoroacetic acid sodium salt|Fluoroacetic acid, sodium salt|Fluoroctan sodny|Furatol|Monofluoressigsaures natrium|Natriumfluoracetaat|Natriumfluoracetat|NSC 77690|Ratbane 1080|RCRA waste number P058|Sodio, fluoracetato di|Sodium fluoacetate|Sodium fluoacetic acid|Sodium fluoracetate|Sodium fluoroacetate de|Sodium monofluoroacetate|UNII-166WTM3843|Yasoknock https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024311
ARPathway2016 ARPathway2016_929 Sodium hexafluorosilicate 16893-85-9 DTXSID9036933 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].F[Si--](F)(F)(F)(F)F Sodium hexafluorosilicate 16893-85-9|Sodium hexafluorosilicate|Caswell No. 771|Destruxol applex|Dinatriumhexafluorosilicat|disodium hexafluorosilicate|Disodium hexafluorosilicate (2-)|Disodium hexafluorosilicate(2-)|Disodium silicofluoride|EINECS 240-934-8|Ens-zem weevil bait|EPA Pesticide Chemical Code 075306|Fluorosilicate de sodium|Fluosilicate de sodium|Hexafluorosilicate de disodium|hexafluorosilicato de disodio|Keifuka Soda|NATRIUM-HEXAFLUOROSILICAT|Natriumhexafluorosilicat|Natriumsilicofluorid|Ortho earwig bait|Ortho weevil bait|PSC Co-Op weevil bait|Salufer|Silicate(2-), hexafluoro-, disodium|Silicate(2-), hexafluoro-, sodium (1:2)|Silicon sodium fluoride|SODIUM FLUOROSILICATE|Sodium fluosilicate|Sodium hexafjuorosilicate|Sodium hexafluosilicate|Sodium silicofluoride|Sodium silicon fluoride|Super prodan|UN 2674|UNII-806AV2E065|1202391-51-2|12656-12-1|1310-02-7|1344-04-3|1360896-72-5|221174-64-7|39413-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036933
ARPathway2016 ARPathway2016_929 Sodium hexafluorosilicate 16893-85-9 DTXSID9036933 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].F[Si--](F)(F)(F)(F)F Sodium hexafluorosilicate 16893-85-9|Sodium hexafluorosilicate|Caswell No. 771|Destruxol applex|Dinatriumhexafluorosilicat|disodium hexafluorosilicate|Disodium hexafluorosilicate (2-)|Disodium hexafluorosilicate(2-)|Disodium silicofluoride|EINECS 240-934-8|Ens-zem weevil bait|EPA Pesticide Chemical Code 075306|Fluorosilicate de sodium|Fluosilicate de sodium|Hexafluorosilicate de disodium|hexafluorosilicato de disodio|Keifuka Soda|NATRIUM-HEXAFLUOROSILICAT|Natriumhexafluorosilicat|Natriumsilicofluorid|Ortho earwig bait|Ortho weevil bait|PSC Co-Op weevil bait|Salufer|Silicate(2-), hexafluoro-, disodium|Silicate(2-), hexafluoro-, sodium (1:2)|Silicon sodium fluoride|SODIUM FLUOROSILICATE|Sodium fluosilicate|Sodium hexafjuorosilicate|Sodium hexafluosilicate|Sodium silicofluoride|Sodium silicon fluoride|Super prodan|UN 2674|UNII-806AV2E065|1202391-51-2|12656-12-1|1310-02-7|1344-04-3|1360896-72-5|221174-64-7|39413-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036933
ARPathway2016 ARPathway2016_929 Sodium hexafluorosilicate 16893-85-9 DTXSID9036933 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].F[Si--](F)(F)(F)(F)F Sodium hexafluorosilicate 16893-85-9|Sodium hexafluorosilicate|Caswell No. 771|Destruxol applex|Dinatriumhexafluorosilicat|disodium hexafluorosilicate|Disodium hexafluorosilicate (2-)|Disodium hexafluorosilicate(2-)|Disodium silicofluoride|EINECS 240-934-8|Ens-zem weevil bait|EPA Pesticide Chemical Code 075306|Fluorosilicate de sodium|Fluosilicate de sodium|Hexafluorosilicate de disodium|hexafluorosilicato de disodio|Keifuka Soda|NATRIUM-HEXAFLUOROSILICAT|Natriumhexafluorosilicat|Natriumsilicofluorid|Ortho earwig bait|Ortho weevil bait|PSC Co-Op weevil bait|Salufer|Silicate(2-), hexafluoro-, disodium|Silicate(2-), hexafluoro-, sodium (1:2)|Silicon sodium fluoride|SODIUM FLUOROSILICATE|Sodium fluosilicate|Sodium hexafjuorosilicate|Sodium hexafluosilicate|Sodium silicofluoride|Sodium silicon fluoride|Super prodan|UN 2674|UNII-806AV2E065|1202391-51-2|12656-12-1|1310-02-7|1344-04-3|1360896-72-5|221174-64-7|39413-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036933
ARPathway2016 ARPathway2016_929 Sodium hexafluorosilicate 16893-85-9 DTXSID9036933 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].F[Si--](F)(F)(F)(F)F Sodium hexafluorosilicate 16893-85-9|Sodium hexafluorosilicate|Caswell No. 771|Destruxol applex|Dinatriumhexafluorosilicat|disodium hexafluorosilicate|Disodium hexafluorosilicate (2-)|Disodium hexafluorosilicate(2-)|Disodium silicofluoride|EINECS 240-934-8|Ens-zem weevil bait|EPA Pesticide Chemical Code 075306|Fluorosilicate de sodium|Fluosilicate de sodium|Hexafluorosilicate de disodium|hexafluorosilicato de disodio|Keifuka Soda|NATRIUM-HEXAFLUOROSILICAT|Natriumhexafluorosilicat|Natriumsilicofluorid|Ortho earwig bait|Ortho weevil bait|PSC Co-Op weevil bait|Salufer|Silicate(2-), hexafluoro-, disodium|Silicate(2-), hexafluoro-, sodium (1:2)|Silicon sodium fluoride|SODIUM FLUOROSILICATE|Sodium fluosilicate|Sodium hexafjuorosilicate|Sodium hexafluosilicate|Sodium silicofluoride|Sodium silicon fluoride|Super prodan|UN 2674|UNII-806AV2E065|1202391-51-2|12656-12-1|1310-02-7|1344-04-3|1360896-72-5|221174-64-7|39413-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036933
ERPathway2016 ERPathway2016_1344 Sodium hexafluorosilicate 16893-85-9 DTXSID9036933 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].F[Si--](F)(F)(F)(F)F Sodium hexafluorosilicate 16893-85-9|Sodium hexafluorosilicate|Caswell No. 771|Destruxol applex|Dinatriumhexafluorosilicat|disodium hexafluorosilicate|Disodium hexafluorosilicate (2-)|Disodium hexafluorosilicate(2-)|Disodium silicofluoride|EINECS 240-934-8|Ens-zem weevil bait|EPA Pesticide Chemical Code 075306|Fluorosilicate de sodium|Fluosilicate de sodium|Hexafluorosilicate de disodium|hexafluorosilicato de disodio|Keifuka Soda|NATRIUM-HEXAFLUOROSILICAT|Natriumhexafluorosilicat|Natriumsilicofluorid|Ortho earwig bait|Ortho weevil bait|PSC Co-Op weevil bait|Salufer|Silicate(2-), hexafluoro-, disodium|Silicate(2-), hexafluoro-, sodium (1:2)|Silicon sodium fluoride|SODIUM FLUOROSILICATE|Sodium fluosilicate|Sodium hexafjuorosilicate|Sodium hexafluosilicate|Sodium silicofluoride|Sodium silicon fluoride|Super prodan|UN 2674|UNII-806AV2E065|1202391-51-2|12656-12-1|1310-02-7|1344-04-3|1360896-72-5|221174-64-7|39413-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036933
ERPathway2016 ERPathway2016_1344 Sodium hexafluorosilicate 16893-85-9 DTXSID9036933 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].F[Si--](F)(F)(F)(F)F Sodium hexafluorosilicate 16893-85-9|Sodium hexafluorosilicate|Caswell No. 771|Destruxol applex|Dinatriumhexafluorosilicat|disodium hexafluorosilicate|Disodium hexafluorosilicate (2-)|Disodium hexafluorosilicate(2-)|Disodium silicofluoride|EINECS 240-934-8|Ens-zem weevil bait|EPA Pesticide Chemical Code 075306|Fluorosilicate de sodium|Fluosilicate de sodium|Hexafluorosilicate de disodium|hexafluorosilicato de disodio|Keifuka Soda|NATRIUM-HEXAFLUOROSILICAT|Natriumhexafluorosilicat|Natriumsilicofluorid|Ortho earwig bait|Ortho weevil bait|PSC Co-Op weevil bait|Salufer|Silicate(2-), hexafluoro-, disodium|Silicate(2-), hexafluoro-, sodium (1:2)|Silicon sodium fluoride|SODIUM FLUOROSILICATE|Sodium fluosilicate|Sodium hexafjuorosilicate|Sodium hexafluosilicate|Sodium silicofluoride|Sodium silicon fluoride|Super prodan|UN 2674|UNII-806AV2E065|1202391-51-2|12656-12-1|1310-02-7|1344-04-3|1360896-72-5|221174-64-7|39413-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036933
ERPathway2016 ERPathway2016_1344 Sodium hexafluorosilicate 16893-85-9 DTXSID9036933 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].F[Si--](F)(F)(F)(F)F Sodium hexafluorosilicate 16893-85-9|Sodium hexafluorosilicate|Caswell No. 771|Destruxol applex|Dinatriumhexafluorosilicat|disodium hexafluorosilicate|Disodium hexafluorosilicate (2-)|Disodium hexafluorosilicate(2-)|Disodium silicofluoride|EINECS 240-934-8|Ens-zem weevil bait|EPA Pesticide Chemical Code 075306|Fluorosilicate de sodium|Fluosilicate de sodium|Hexafluorosilicate de disodium|hexafluorosilicato de disodio|Keifuka Soda|NATRIUM-HEXAFLUOROSILICAT|Natriumhexafluorosilicat|Natriumsilicofluorid|Ortho earwig bait|Ortho weevil bait|PSC Co-Op weevil bait|Salufer|Silicate(2-), hexafluoro-, disodium|Silicate(2-), hexafluoro-, sodium (1:2)|Silicon sodium fluoride|SODIUM FLUOROSILICATE|Sodium fluosilicate|Sodium hexafjuorosilicate|Sodium hexafluosilicate|Sodium silicofluoride|Sodium silicon fluoride|Super prodan|UN 2674|UNII-806AV2E065|1202391-51-2|12656-12-1|1310-02-7|1344-04-3|1360896-72-5|221174-64-7|39413-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036933
ERPathway2016 ERPathway2016_1344 Sodium hexafluorosilicate 16893-85-9 DTXSID9036933 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].F[Si--](F)(F)(F)(F)F Sodium hexafluorosilicate 16893-85-9|Sodium hexafluorosilicate|Caswell No. 771|Destruxol applex|Dinatriumhexafluorosilicat|disodium hexafluorosilicate|Disodium hexafluorosilicate (2-)|Disodium hexafluorosilicate(2-)|Disodium silicofluoride|EINECS 240-934-8|Ens-zem weevil bait|EPA Pesticide Chemical Code 075306|Fluorosilicate de sodium|Fluosilicate de sodium|Hexafluorosilicate de disodium|hexafluorosilicato de disodio|Keifuka Soda|NATRIUM-HEXAFLUOROSILICAT|Natriumhexafluorosilicat|Natriumsilicofluorid|Ortho earwig bait|Ortho weevil bait|PSC Co-Op weevil bait|Salufer|Silicate(2-), hexafluoro-, disodium|Silicate(2-), hexafluoro-, sodium (1:2)|Silicon sodium fluoride|SODIUM FLUOROSILICATE|Sodium fluosilicate|Sodium hexafjuorosilicate|Sodium hexafluosilicate|Sodium silicofluoride|Sodium silicon fluoride|Super prodan|UN 2674|UNII-806AV2E065|1202391-51-2|12656-12-1|1310-02-7|1344-04-3|1360896-72-5|221174-64-7|39413-34-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036933
ARPathway2016 ARPathway2016_589 Sodium hexyldecyl sulfate 1120-01-0 DTXSID0042400 0.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCCCCCCCCCCCCCOS([O-])(=O)=O Sodium hexyldecyl sulfate 1120-01-0|Sodium hexyldecyl sulfate|1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Hexadecanol, hydrogen sulfate sodium salt|1-Hexadecanol, hydrogen sulfate, sodium salt|Avitex C|Avitex SF|Cetyl sodium sulfate|Cetyl sulfate sodium salt|Conco sulfate C|EINECS 214-292-4|HEXADECYL HYDROGEN SULFATE, SODIUM|Hexadecyl sodium sulfate|Hexadecyl sulfate sodium salt|Hexadecyl sulfate, sodium salt|Hexadecylsulfate, sodium salt|NATRIUM-CETYL-SULFAT|Natriumhexadecylsulfat|Nikkol S.C.S|Nikkol SCS|NSC 139031|Sipex EC 111|Sodium cetyl sulfate|Sodium hexadecyl sulfate|sodium hexadecyl sulphate|Sodium monohexadecyl sulfate|Sodium n-hexadecyl sulfate|Sodium palmityl sulfate|Sulfate de sodium et d'hexadecyle|sulfato de sodio y hexadecilo|Tergitol anionic 7|UNII-3V3Y3O7BIQ|123898-29-3|159258-34-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042400
ARPathway2016 ARPathway2016_589 Sodium hexyldecyl sulfate 1120-01-0 DTXSID0042400 0.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCCCCCCCCCCCCCOS([O-])(=O)=O Sodium hexyldecyl sulfate 1120-01-0|Sodium hexyldecyl sulfate|1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Hexadecanol, hydrogen sulfate sodium salt|1-Hexadecanol, hydrogen sulfate, sodium salt|Avitex C|Avitex SF|Cetyl sodium sulfate|Cetyl sulfate sodium salt|Conco sulfate C|EINECS 214-292-4|HEXADECYL HYDROGEN SULFATE, SODIUM|Hexadecyl sodium sulfate|Hexadecyl sulfate sodium salt|Hexadecyl sulfate, sodium salt|Hexadecylsulfate, sodium salt|NATRIUM-CETYL-SULFAT|Natriumhexadecylsulfat|Nikkol S.C.S|Nikkol SCS|NSC 139031|Sipex EC 111|Sodium cetyl sulfate|Sodium hexadecyl sulfate|sodium hexadecyl sulphate|Sodium monohexadecyl sulfate|Sodium n-hexadecyl sulfate|Sodium palmityl sulfate|Sulfate de sodium et d'hexadecyle|sulfato de sodio y hexadecilo|Tergitol anionic 7|UNII-3V3Y3O7BIQ|123898-29-3|159258-34-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042400
ARPathway2016 ARPathway2016_589 Sodium hexyldecyl sulfate 1120-01-0 DTXSID0042400 0.0 A3 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCCCCCCCCCCCCCOS([O-])(=O)=O Sodium hexyldecyl sulfate 1120-01-0|Sodium hexyldecyl sulfate|1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Hexadecanol, hydrogen sulfate sodium salt|1-Hexadecanol, hydrogen sulfate, sodium salt|Avitex C|Avitex SF|Cetyl sodium sulfate|Cetyl sulfate sodium salt|Conco sulfate C|EINECS 214-292-4|HEXADECYL HYDROGEN SULFATE, SODIUM|Hexadecyl sodium sulfate|Hexadecyl sulfate sodium salt|Hexadecyl sulfate, sodium salt|Hexadecylsulfate, sodium salt|NATRIUM-CETYL-SULFAT|Natriumhexadecylsulfat|Nikkol S.C.S|Nikkol SCS|NSC 139031|Sipex EC 111|Sodium cetyl sulfate|Sodium hexadecyl sulfate|sodium hexadecyl sulphate|Sodium monohexadecyl sulfate|Sodium n-hexadecyl sulfate|Sodium palmityl sulfate|Sulfate de sodium et d'hexadecyle|sulfato de sodio y hexadecilo|Tergitol anionic 7|UNII-3V3Y3O7BIQ|123898-29-3|159258-34-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042400
ARPathway2016 ARPathway2016_589 Sodium hexyldecyl sulfate 1120-01-0 DTXSID0042400 0.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCCCCCCCCCOS([O-])(=O)=O Sodium hexyldecyl sulfate 1120-01-0|Sodium hexyldecyl sulfate|1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Hexadecanol, hydrogen sulfate sodium salt|1-Hexadecanol, hydrogen sulfate, sodium salt|Avitex C|Avitex SF|Cetyl sodium sulfate|Cetyl sulfate sodium salt|Conco sulfate C|EINECS 214-292-4|HEXADECYL HYDROGEN SULFATE, SODIUM|Hexadecyl sodium sulfate|Hexadecyl sulfate sodium salt|Hexadecyl sulfate, sodium salt|Hexadecylsulfate, sodium salt|NATRIUM-CETYL-SULFAT|Natriumhexadecylsulfat|Nikkol S.C.S|Nikkol SCS|NSC 139031|Sipex EC 111|Sodium cetyl sulfate|Sodium hexadecyl sulfate|sodium hexadecyl sulphate|Sodium monohexadecyl sulfate|Sodium n-hexadecyl sulfate|Sodium palmityl sulfate|Sulfate de sodium et d'hexadecyle|sulfato de sodio y hexadecilo|Tergitol anionic 7|UNII-3V3Y3O7BIQ|123898-29-3|159258-34-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042400
ERPathway2016 ERPathway2016_775 Sodium hexyldecyl sulfate 1120-01-0 DTXSID0042400 A3 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCCCCCCCCCCCCCOS([O-])(=O)=O Sodium hexyldecyl sulfate 1120-01-0|Sodium hexyldecyl sulfate|1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Hexadecanol, hydrogen sulfate sodium salt|1-Hexadecanol, hydrogen sulfate, sodium salt|Avitex C|Avitex SF|Cetyl sodium sulfate|Cetyl sulfate sodium salt|Conco sulfate C|EINECS 214-292-4|HEXADECYL HYDROGEN SULFATE, SODIUM|Hexadecyl sodium sulfate|Hexadecyl sulfate sodium salt|Hexadecyl sulfate, sodium salt|Hexadecylsulfate, sodium salt|NATRIUM-CETYL-SULFAT|Natriumhexadecylsulfat|Nikkol S.C.S|Nikkol SCS|NSC 139031|Sipex EC 111|Sodium cetyl sulfate|Sodium hexadecyl sulfate|sodium hexadecyl sulphate|Sodium monohexadecyl sulfate|Sodium n-hexadecyl sulfate|Sodium palmityl sulfate|Sulfate de sodium et d'hexadecyle|sulfato de sodio y hexadecilo|Tergitol anionic 7|UNII-3V3Y3O7BIQ|123898-29-3|159258-34-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042400
ERPathway2016 ERPathway2016_775 Sodium hexyldecyl sulfate 1120-01-0 DTXSID0042400 A3 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCCCCCCCCCCCCCOS([O-])(=O)=O Sodium hexyldecyl sulfate 1120-01-0|Sodium hexyldecyl sulfate|1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Hexadecanol, hydrogen sulfate sodium salt|1-Hexadecanol, hydrogen sulfate, sodium salt|Avitex C|Avitex SF|Cetyl sodium sulfate|Cetyl sulfate sodium salt|Conco sulfate C|EINECS 214-292-4|HEXADECYL HYDROGEN SULFATE, SODIUM|Hexadecyl sodium sulfate|Hexadecyl sulfate sodium salt|Hexadecyl sulfate, sodium salt|Hexadecylsulfate, sodium salt|NATRIUM-CETYL-SULFAT|Natriumhexadecylsulfat|Nikkol S.C.S|Nikkol SCS|NSC 139031|Sipex EC 111|Sodium cetyl sulfate|Sodium hexadecyl sulfate|sodium hexadecyl sulphate|Sodium monohexadecyl sulfate|Sodium n-hexadecyl sulfate|Sodium palmityl sulfate|Sulfate de sodium et d'hexadecyle|sulfato de sodio y hexadecilo|Tergitol anionic 7|UNII-3V3Y3O7BIQ|123898-29-3|159258-34-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042400
ERPathway2016 ERPathway2016_775 Sodium hexyldecyl sulfate 1120-01-0 DTXSID0042400 A3 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCCCCCCCCCCCCCOS([O-])(=O)=O Sodium hexyldecyl sulfate 1120-01-0|Sodium hexyldecyl sulfate|1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Hexadecanol, hydrogen sulfate sodium salt|1-Hexadecanol, hydrogen sulfate, sodium salt|Avitex C|Avitex SF|Cetyl sodium sulfate|Cetyl sulfate sodium salt|Conco sulfate C|EINECS 214-292-4|HEXADECYL HYDROGEN SULFATE, SODIUM|Hexadecyl sodium sulfate|Hexadecyl sulfate sodium salt|Hexadecyl sulfate, sodium salt|Hexadecylsulfate, sodium salt|NATRIUM-CETYL-SULFAT|Natriumhexadecylsulfat|Nikkol S.C.S|Nikkol SCS|NSC 139031|Sipex EC 111|Sodium cetyl sulfate|Sodium hexadecyl sulfate|sodium hexadecyl sulphate|Sodium monohexadecyl sulfate|Sodium n-hexadecyl sulfate|Sodium palmityl sulfate|Sulfate de sodium et d'hexadecyle|sulfato de sodio y hexadecilo|Tergitol anionic 7|UNII-3V3Y3O7BIQ|123898-29-3|159258-34-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042400
ERPathway2016 ERPathway2016_775 Sodium hexyldecyl sulfate 1120-01-0 DTXSID0042400 A3 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCCCCCCCCCOS([O-])(=O)=O Sodium hexyldecyl sulfate 1120-01-0|Sodium hexyldecyl sulfate|1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Hexadecanol, hydrogen sulfate sodium salt|1-Hexadecanol, hydrogen sulfate, sodium salt|Avitex C|Avitex SF|Cetyl sodium sulfate|Cetyl sulfate sodium salt|Conco sulfate C|EINECS 214-292-4|HEXADECYL HYDROGEN SULFATE, SODIUM|Hexadecyl sodium sulfate|Hexadecyl sulfate sodium salt|Hexadecyl sulfate, sodium salt|Hexadecylsulfate, sodium salt|NATRIUM-CETYL-SULFAT|Natriumhexadecylsulfat|Nikkol S.C.S|Nikkol SCS|NSC 139031|Sipex EC 111|Sodium cetyl sulfate|Sodium hexadecyl sulfate|sodium hexadecyl sulphate|Sodium monohexadecyl sulfate|Sodium n-hexadecyl sulfate|Sodium palmityl sulfate|Sulfate de sodium et d'hexadecyle|sulfato de sodio y hexadecilo|Tergitol anionic 7|UNII-3V3Y3O7BIQ|123898-29-3|159258-34-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042400
ARPathway2016 ARPathway2016_1545 Sodium iodide 7681-82-5 DTXSID2041125 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[I-] Sodium iodide 7681-82-5|Sodium iodide|Anayodin|Caswell No. 777|EINECS 231-679-3|EPA Pesticide Chemical Code 075702|Iodure de sodium|Ioduril|ioduro de sodio|Jodid sodny|NaI|Natriumiodid|NATRIUMJODID|NSC 77388|Sodium iodide (NaI)|Sodium iodide,|Sodium monoiodide|Soiodin|UNII-F5WR8N145C|59216-98-7|61456-04-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041125
ARPathway2016 ARPathway2016_1545 Sodium iodide 7681-82-5 DTXSID2041125 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[I-] Sodium iodide 7681-82-5|Sodium iodide|Anayodin|Caswell No. 777|EINECS 231-679-3|EPA Pesticide Chemical Code 075702|Iodure de sodium|Ioduril|ioduro de sodio|Jodid sodny|NaI|Natriumiodid|NATRIUMJODID|NSC 77388|Sodium iodide (NaI)|Sodium iodide,|Sodium monoiodide|Soiodin|UNII-F5WR8N145C|59216-98-7|61456-04-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041125
ARPathway2016 ARPathway2016_1545 Sodium iodide 7681-82-5 DTXSID2041125 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[I-] Sodium iodide 7681-82-5|Sodium iodide|Anayodin|Caswell No. 777|EINECS 231-679-3|EPA Pesticide Chemical Code 075702|Iodure de sodium|Ioduril|ioduro de sodio|Jodid sodny|NaI|Natriumiodid|NATRIUMJODID|NSC 77388|Sodium iodide (NaI)|Sodium iodide,|Sodium monoiodide|Soiodin|UNII-F5WR8N145C|59216-98-7|61456-04-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041125
ARPathway2016 ARPathway2016_1545 Sodium iodide 7681-82-5 DTXSID2041125 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[I-] Sodium iodide 7681-82-5|Sodium iodide|Anayodin|Caswell No. 777|EINECS 231-679-3|EPA Pesticide Chemical Code 075702|Iodure de sodium|Ioduril|ioduro de sodio|Jodid sodny|NaI|Natriumiodid|NATRIUMJODID|NSC 77388|Sodium iodide (NaI)|Sodium iodide,|Sodium monoiodide|Soiodin|UNII-F5WR8N145C|59216-98-7|61456-04-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041125
ERPathway2016 ERPathway2016_1649 Sodium iodide 7681-82-5 DTXSID2041125 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[I-] Sodium iodide 7681-82-5|Sodium iodide|Anayodin|Caswell No. 777|EINECS 231-679-3|EPA Pesticide Chemical Code 075702|Iodure de sodium|Ioduril|ioduro de sodio|Jodid sodny|NaI|Natriumiodid|NATRIUMJODID|NSC 77388|Sodium iodide (NaI)|Sodium iodide,|Sodium monoiodide|Soiodin|UNII-F5WR8N145C|59216-98-7|61456-04-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041125
ERPathway2016 ERPathway2016_1649 Sodium iodide 7681-82-5 DTXSID2041125 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[I-] Sodium iodide 7681-82-5|Sodium iodide|Anayodin|Caswell No. 777|EINECS 231-679-3|EPA Pesticide Chemical Code 075702|Iodure de sodium|Ioduril|ioduro de sodio|Jodid sodny|NaI|Natriumiodid|NATRIUMJODID|NSC 77388|Sodium iodide (NaI)|Sodium iodide,|Sodium monoiodide|Soiodin|UNII-F5WR8N145C|59216-98-7|61456-04-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041125
ERPathway2016 ERPathway2016_1649 Sodium iodide 7681-82-5 DTXSID2041125 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[I-] Sodium iodide 7681-82-5|Sodium iodide|Anayodin|Caswell No. 777|EINECS 231-679-3|EPA Pesticide Chemical Code 075702|Iodure de sodium|Ioduril|ioduro de sodio|Jodid sodny|NaI|Natriumiodid|NATRIUMJODID|NSC 77388|Sodium iodide (NaI)|Sodium iodide,|Sodium monoiodide|Soiodin|UNII-F5WR8N145C|59216-98-7|61456-04-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041125
ERPathway2016 ERPathway2016_1649 Sodium iodide 7681-82-5 DTXSID2041125 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[I-] Sodium iodide 7681-82-5|Sodium iodide|Anayodin|Caswell No. 777|EINECS 231-679-3|EPA Pesticide Chemical Code 075702|Iodure de sodium|Ioduril|ioduro de sodio|Jodid sodny|NaI|Natriumiodid|NATRIUMJODID|NSC 77388|Sodium iodide (NaI)|Sodium iodide,|Sodium monoiodide|Soiodin|UNII-F5WR8N145C|59216-98-7|61456-04-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2041125
ARPathway2016 ARPathway2016_795 Sodium L-ascorbate 134-03-2 DTXSID0020105 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-] Sodium L-ascorbate 134-03-2|Sodium L-ascorbate|(+)-Sodium L-ascorbate (Sodium ascorbate) (l-Ascorbate, sodium)|3-Oxo-L-gulofuranolactone sodium|ASCORBATE (L-), SODIUM|Ascorbate de sodium|ascorbato sodico|Ascorbic acid sodium derivative|ASCORBIC ACID SODIUM SALT|Ascorbic acid, sodium deriv.|Ascorbicin|Ascorbin|Cebitate|Cenolate|EINECS 205-126-1|Iskia C|Iskia-C|L-Ascorbic acid monosodium salt|L-Ascorbic acid sodium salt|L-Ascorbic acid, monosodium salt|L-Ascorbic acid, sodium salt (1:1)|Monosodium ascorbate|Monosodium L-ascorbate|Natrascorb|Natri-C|Natrii ascorbas|Natriumascorbat|Sodascorbate|Sodium (+)-L-ascorbate|sodium ascorbate|Sodium derivative of 3-oxo-L-gulofuranolactone|UNII-S033EH8359|Vitamin C Na salt|Vitamin C sodium|Vitamin C, sodium salt|1017795-34-4|1184919-96-7|129940-98-3|156683-68-0|884311-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020105
ARPathway2016 ARPathway2016_795 Sodium L-ascorbate 134-03-2 DTXSID0020105 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-] Sodium L-ascorbate 134-03-2|Sodium L-ascorbate|(+)-Sodium L-ascorbate (Sodium ascorbate) (l-Ascorbate, sodium)|3-Oxo-L-gulofuranolactone sodium|ASCORBATE (L-), SODIUM|Ascorbate de sodium|ascorbato sodico|Ascorbic acid sodium derivative|ASCORBIC ACID SODIUM SALT|Ascorbic acid, sodium deriv.|Ascorbicin|Ascorbin|Cebitate|Cenolate|EINECS 205-126-1|Iskia C|Iskia-C|L-Ascorbic acid monosodium salt|L-Ascorbic acid sodium salt|L-Ascorbic acid, monosodium salt|L-Ascorbic acid, sodium salt (1:1)|Monosodium ascorbate|Monosodium L-ascorbate|Natrascorb|Natri-C|Natrii ascorbas|Natriumascorbat|Sodascorbate|Sodium (+)-L-ascorbate|sodium ascorbate|Sodium derivative of 3-oxo-L-gulofuranolactone|UNII-S033EH8359|Vitamin C Na salt|Vitamin C sodium|Vitamin C, sodium salt|1017795-34-4|1184919-96-7|129940-98-3|156683-68-0|884311-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020105
ARPathway2016 ARPathway2016_795 Sodium L-ascorbate 134-03-2 DTXSID0020105 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-] Sodium L-ascorbate 134-03-2|Sodium L-ascorbate|(+)-Sodium L-ascorbate (Sodium ascorbate) (l-Ascorbate, sodium)|3-Oxo-L-gulofuranolactone sodium|ASCORBATE (L-), SODIUM|Ascorbate de sodium|ascorbato sodico|Ascorbic acid sodium derivative|ASCORBIC ACID SODIUM SALT|Ascorbic acid, sodium deriv.|Ascorbicin|Ascorbin|Cebitate|Cenolate|EINECS 205-126-1|Iskia C|Iskia-C|L-Ascorbic acid monosodium salt|L-Ascorbic acid sodium salt|L-Ascorbic acid, monosodium salt|L-Ascorbic acid, sodium salt (1:1)|Monosodium ascorbate|Monosodium L-ascorbate|Natrascorb|Natri-C|Natrii ascorbas|Natriumascorbat|Sodascorbate|Sodium (+)-L-ascorbate|sodium ascorbate|Sodium derivative of 3-oxo-L-gulofuranolactone|UNII-S033EH8359|Vitamin C Na salt|Vitamin C sodium|Vitamin C, sodium salt|1017795-34-4|1184919-96-7|129940-98-3|156683-68-0|884311-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020105
ARPathway2016 ARPathway2016_795 Sodium L-ascorbate 134-03-2 DTXSID0020105 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-] Sodium L-ascorbate 134-03-2|Sodium L-ascorbate|(+)-Sodium L-ascorbate (Sodium ascorbate) (l-Ascorbate, sodium)|3-Oxo-L-gulofuranolactone sodium|ASCORBATE (L-), SODIUM|Ascorbate de sodium|ascorbato sodico|Ascorbic acid sodium derivative|ASCORBIC ACID SODIUM SALT|Ascorbic acid, sodium deriv.|Ascorbicin|Ascorbin|Cebitate|Cenolate|EINECS 205-126-1|Iskia C|Iskia-C|L-Ascorbic acid monosodium salt|L-Ascorbic acid sodium salt|L-Ascorbic acid, monosodium salt|L-Ascorbic acid, sodium salt (1:1)|Monosodium ascorbate|Monosodium L-ascorbate|Natrascorb|Natri-C|Natrii ascorbas|Natriumascorbat|Sodascorbate|Sodium (+)-L-ascorbate|sodium ascorbate|Sodium derivative of 3-oxo-L-gulofuranolactone|UNII-S033EH8359|Vitamin C Na salt|Vitamin C sodium|Vitamin C, sodium salt|1017795-34-4|1184919-96-7|129940-98-3|156683-68-0|884311-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020105
ERPathway2016 ERPathway2016_1279 Sodium L-ascorbate 134-03-2 DTXSID0020105 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-] Sodium L-ascorbate 134-03-2|Sodium L-ascorbate|(+)-Sodium L-ascorbate (Sodium ascorbate) (l-Ascorbate, sodium)|3-Oxo-L-gulofuranolactone sodium|ASCORBATE (L-), SODIUM|Ascorbate de sodium|ascorbato sodico|Ascorbic acid sodium derivative|ASCORBIC ACID SODIUM SALT|Ascorbic acid, sodium deriv.|Ascorbicin|Ascorbin|Cebitate|Cenolate|EINECS 205-126-1|Iskia C|Iskia-C|L-Ascorbic acid monosodium salt|L-Ascorbic acid sodium salt|L-Ascorbic acid, monosodium salt|L-Ascorbic acid, sodium salt (1:1)|Monosodium ascorbate|Monosodium L-ascorbate|Natrascorb|Natri-C|Natrii ascorbas|Natriumascorbat|Sodascorbate|Sodium (+)-L-ascorbate|sodium ascorbate|Sodium derivative of 3-oxo-L-gulofuranolactone|UNII-S033EH8359|Vitamin C Na salt|Vitamin C sodium|Vitamin C, sodium salt|1017795-34-4|1184919-96-7|129940-98-3|156683-68-0|884311-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020105
ERPathway2016 ERPathway2016_1279 Sodium L-ascorbate 134-03-2 DTXSID0020105 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-] Sodium L-ascorbate 134-03-2|Sodium L-ascorbate|(+)-Sodium L-ascorbate (Sodium ascorbate) (l-Ascorbate, sodium)|3-Oxo-L-gulofuranolactone sodium|ASCORBATE (L-), SODIUM|Ascorbate de sodium|ascorbato sodico|Ascorbic acid sodium derivative|ASCORBIC ACID SODIUM SALT|Ascorbic acid, sodium deriv.|Ascorbicin|Ascorbin|Cebitate|Cenolate|EINECS 205-126-1|Iskia C|Iskia-C|L-Ascorbic acid monosodium salt|L-Ascorbic acid sodium salt|L-Ascorbic acid, monosodium salt|L-Ascorbic acid, sodium salt (1:1)|Monosodium ascorbate|Monosodium L-ascorbate|Natrascorb|Natri-C|Natrii ascorbas|Natriumascorbat|Sodascorbate|Sodium (+)-L-ascorbate|sodium ascorbate|Sodium derivative of 3-oxo-L-gulofuranolactone|UNII-S033EH8359|Vitamin C Na salt|Vitamin C sodium|Vitamin C, sodium salt|1017795-34-4|1184919-96-7|129940-98-3|156683-68-0|884311-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020105
ERPathway2016 ERPathway2016_1279 Sodium L-ascorbate 134-03-2 DTXSID0020105 ER Pathway Model, Agonist Call Inactive Unitless [Na+].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-] Sodium L-ascorbate 134-03-2|Sodium L-ascorbate|(+)-Sodium L-ascorbate (Sodium ascorbate) (l-Ascorbate, sodium)|3-Oxo-L-gulofuranolactone sodium|ASCORBATE (L-), SODIUM|Ascorbate de sodium|ascorbato sodico|Ascorbic acid sodium derivative|ASCORBIC ACID SODIUM SALT|Ascorbic acid, sodium deriv.|Ascorbicin|Ascorbin|Cebitate|Cenolate|EINECS 205-126-1|Iskia C|Iskia-C|L-Ascorbic acid monosodium salt|L-Ascorbic acid sodium salt|L-Ascorbic acid, monosodium salt|L-Ascorbic acid, sodium salt (1:1)|Monosodium ascorbate|Monosodium L-ascorbate|Natrascorb|Natri-C|Natrii ascorbas|Natriumascorbat|Sodascorbate|Sodium (+)-L-ascorbate|sodium ascorbate|Sodium derivative of 3-oxo-L-gulofuranolactone|UNII-S033EH8359|Vitamin C Na salt|Vitamin C sodium|Vitamin C, sodium salt|1017795-34-4|1184919-96-7|129940-98-3|156683-68-0|884311-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020105
ERPathway2016 ERPathway2016_1279 Sodium L-ascorbate 134-03-2 DTXSID0020105 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-] Sodium L-ascorbate 134-03-2|Sodium L-ascorbate|(+)-Sodium L-ascorbate (Sodium ascorbate) (l-Ascorbate, sodium)|3-Oxo-L-gulofuranolactone sodium|ASCORBATE (L-), SODIUM|Ascorbate de sodium|ascorbato sodico|Ascorbic acid sodium derivative|ASCORBIC ACID SODIUM SALT|Ascorbic acid, sodium deriv.|Ascorbicin|Ascorbin|Cebitate|Cenolate|EINECS 205-126-1|Iskia C|Iskia-C|L-Ascorbic acid monosodium salt|L-Ascorbic acid sodium salt|L-Ascorbic acid, monosodium salt|L-Ascorbic acid, sodium salt (1:1)|Monosodium ascorbate|Monosodium L-ascorbate|Natrascorb|Natri-C|Natrii ascorbas|Natriumascorbat|Sodascorbate|Sodium (+)-L-ascorbate|sodium ascorbate|Sodium derivative of 3-oxo-L-gulofuranolactone|UNII-S033EH8359|Vitamin C Na salt|Vitamin C sodium|Vitamin C, sodium salt|1017795-34-4|1184919-96-7|129940-98-3|156683-68-0|884311-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020105
ARPathway2016 ARPathway2016_1320 Sodium methacrylate 5536-61-8 DTXSID9044823 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC(=C)C([O-])=O Sodium methacrylate 5536-61-8|Sodium methacrylate|2-Methyl-2-propenoic acid sodium salt|2-Methyl-2-propenoic acid, sodium salt|2-Propenoic acid, 2-methyl-, sodium salt (1:1)|Acido 2-propenoico, 2-metil-, sal de sodio (1:1)|EINECS 226-896-5|metacrilato de sodio|Methacrylate de sodium|Methacrylic acid, sodium salt|Natriummethacrylat|sodium methacrylate|UNII-SU3SU355NB|125395-40-6|161161-98-4|1656311-64-6|200284-44-2|511226-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044823
ARPathway2016 ARPathway2016_1320 Sodium methacrylate 5536-61-8 DTXSID9044823 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CC(=C)C([O-])=O Sodium methacrylate 5536-61-8|Sodium methacrylate|2-Methyl-2-propenoic acid sodium salt|2-Methyl-2-propenoic acid, sodium salt|2-Propenoic acid, 2-methyl-, sodium salt (1:1)|Acido 2-propenoico, 2-metil-, sal de sodio (1:1)|EINECS 226-896-5|metacrilato de sodio|Methacrylate de sodium|Methacrylic acid, sodium salt|Natriummethacrylat|sodium methacrylate|UNII-SU3SU355NB|125395-40-6|161161-98-4|1656311-64-6|200284-44-2|511226-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044823
ARPathway2016 ARPathway2016_1320 Sodium methacrylate 5536-61-8 DTXSID9044823 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CC(=C)C([O-])=O Sodium methacrylate 5536-61-8|Sodium methacrylate|2-Methyl-2-propenoic acid sodium salt|2-Methyl-2-propenoic acid, sodium salt|2-Propenoic acid, 2-methyl-, sodium salt (1:1)|Acido 2-propenoico, 2-metil-, sal de sodio (1:1)|EINECS 226-896-5|metacrilato de sodio|Methacrylate de sodium|Methacrylic acid, sodium salt|Natriummethacrylat|sodium methacrylate|UNII-SU3SU355NB|125395-40-6|161161-98-4|1656311-64-6|200284-44-2|511226-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044823
ARPathway2016 ARPathway2016_1320 Sodium methacrylate 5536-61-8 DTXSID9044823 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CC(=C)C([O-])=O Sodium methacrylate 5536-61-8|Sodium methacrylate|2-Methyl-2-propenoic acid sodium salt|2-Methyl-2-propenoic acid, sodium salt|2-Propenoic acid, 2-methyl-, sodium salt (1:1)|Acido 2-propenoico, 2-metil-, sal de sodio (1:1)|EINECS 226-896-5|metacrilato de sodio|Methacrylate de sodium|Methacrylic acid, sodium salt|Natriummethacrylat|sodium methacrylate|UNII-SU3SU355NB|125395-40-6|161161-98-4|1656311-64-6|200284-44-2|511226-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044823
ERPathway2016 ERPathway2016_1534 Sodium methacrylate 5536-61-8 DTXSID9044823 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CC(=C)C([O-])=O Sodium methacrylate 5536-61-8|Sodium methacrylate|2-Methyl-2-propenoic acid sodium salt|2-Methyl-2-propenoic acid, sodium salt|2-Propenoic acid, 2-methyl-, sodium salt (1:1)|Acido 2-propenoico, 2-metil-, sal de sodio (1:1)|EINECS 226-896-5|metacrilato de sodio|Methacrylate de sodium|Methacrylic acid, sodium salt|Natriummethacrylat|sodium methacrylate|UNII-SU3SU355NB|125395-40-6|161161-98-4|1656311-64-6|200284-44-2|511226-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044823
ERPathway2016 ERPathway2016_1534 Sodium methacrylate 5536-61-8 DTXSID9044823 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC(=C)C([O-])=O Sodium methacrylate 5536-61-8|Sodium methacrylate|2-Methyl-2-propenoic acid sodium salt|2-Methyl-2-propenoic acid, sodium salt|2-Propenoic acid, 2-methyl-, sodium salt (1:1)|Acido 2-propenoico, 2-metil-, sal de sodio (1:1)|EINECS 226-896-5|metacrilato de sodio|Methacrylate de sodium|Methacrylic acid, sodium salt|Natriummethacrylat|sodium methacrylate|UNII-SU3SU355NB|125395-40-6|161161-98-4|1656311-64-6|200284-44-2|511226-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044823
ERPathway2016 ERPathway2016_1534 Sodium methacrylate 5536-61-8 DTXSID9044823 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CC(=C)C([O-])=O Sodium methacrylate 5536-61-8|Sodium methacrylate|2-Methyl-2-propenoic acid sodium salt|2-Methyl-2-propenoic acid, sodium salt|2-Propenoic acid, 2-methyl-, sodium salt (1:1)|Acido 2-propenoico, 2-metil-, sal de sodio (1:1)|EINECS 226-896-5|metacrilato de sodio|Methacrylate de sodium|Methacrylic acid, sodium salt|Natriummethacrylat|sodium methacrylate|UNII-SU3SU355NB|125395-40-6|161161-98-4|1656311-64-6|200284-44-2|511226-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044823
ERPathway2016 ERPathway2016_1534 Sodium methacrylate 5536-61-8 DTXSID9044823 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CC(=C)C([O-])=O Sodium methacrylate 5536-61-8|Sodium methacrylate|2-Methyl-2-propenoic acid sodium salt|2-Methyl-2-propenoic acid, sodium salt|2-Propenoic acid, 2-methyl-, sodium salt (1:1)|Acido 2-propenoico, 2-metil-, sal de sodio (1:1)|EINECS 226-896-5|metacrilato de sodio|Methacrylate de sodium|Methacrylic acid, sodium salt|Natriummethacrylat|sodium methacrylate|UNII-SU3SU355NB|125395-40-6|161161-98-4|1656311-64-6|200284-44-2|511226-78-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9044823
ARPathway2016 ARPathway2016_1256 Sodium methyl sulfate 512-42-5 DTXSID0042406 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].COS([O-])(=O)=O Sodium methyl sulfate 512-42-5|Sodium methyl sulfate|EINECS 208-142-7|Methyl sodium sulfate|Sodium monomethylsulfate|Sulfuric acid, monomethyl ester, sodium salt|Sulfuric acid, monomethyl ester, sodium salt (1:1)|UNII-38W76YJ3JN https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042406
ARPathway2016 ARPathway2016_1256 Sodium methyl sulfate 512-42-5 DTXSID0042406 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].COS([O-])(=O)=O Sodium methyl sulfate 512-42-5|Sodium methyl sulfate|EINECS 208-142-7|Methyl sodium sulfate|Sodium monomethylsulfate|Sulfuric acid, monomethyl ester, sodium salt|Sulfuric acid, monomethyl ester, sodium salt (1:1)|UNII-38W76YJ3JN https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042406
ARPathway2016 ARPathway2016_1256 Sodium methyl sulfate 512-42-5 DTXSID0042406 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].COS([O-])(=O)=O Sodium methyl sulfate 512-42-5|Sodium methyl sulfate|EINECS 208-142-7|Methyl sodium sulfate|Sodium monomethylsulfate|Sulfuric acid, monomethyl ester, sodium salt|Sulfuric acid, monomethyl ester, sodium salt (1:1)|UNII-38W76YJ3JN https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042406
ARPathway2016 ARPathway2016_1256 Sodium methyl sulfate 512-42-5 DTXSID0042406 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].COS([O-])(=O)=O Sodium methyl sulfate 512-42-5|Sodium methyl sulfate|EINECS 208-142-7|Methyl sodium sulfate|Sodium monomethylsulfate|Sulfuric acid, monomethyl ester, sodium salt|Sulfuric acid, monomethyl ester, sodium salt (1:1)|UNII-38W76YJ3JN https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042406
ERPathway2016 ERPathway2016_1502 Sodium methyl sulfate 512-42-5 DTXSID0042406 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].COS([O-])(=O)=O Sodium methyl sulfate 512-42-5|Sodium methyl sulfate|EINECS 208-142-7|Methyl sodium sulfate|Sodium monomethylsulfate|Sulfuric acid, monomethyl ester, sodium salt|Sulfuric acid, monomethyl ester, sodium salt (1:1)|UNII-38W76YJ3JN https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042406
ERPathway2016 ERPathway2016_1502 Sodium methyl sulfate 512-42-5 DTXSID0042406 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].COS([O-])(=O)=O Sodium methyl sulfate 512-42-5|Sodium methyl sulfate|EINECS 208-142-7|Methyl sodium sulfate|Sodium monomethylsulfate|Sulfuric acid, monomethyl ester, sodium salt|Sulfuric acid, monomethyl ester, sodium salt (1:1)|UNII-38W76YJ3JN https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042406
ERPathway2016 ERPathway2016_1502 Sodium methyl sulfate 512-42-5 DTXSID0042406 ER Pathway Model, Agonist Call Inactive Unitless [Na+].COS([O-])(=O)=O Sodium methyl sulfate 512-42-5|Sodium methyl sulfate|EINECS 208-142-7|Methyl sodium sulfate|Sodium monomethylsulfate|Sulfuric acid, monomethyl ester, sodium salt|Sulfuric acid, monomethyl ester, sodium salt (1:1)|UNII-38W76YJ3JN https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042406
ERPathway2016 ERPathway2016_1502 Sodium methyl sulfate 512-42-5 DTXSID0042406 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].COS([O-])(=O)=O Sodium methyl sulfate 512-42-5|Sodium methyl sulfate|EINECS 208-142-7|Methyl sodium sulfate|Sodium monomethylsulfate|Sulfuric acid, monomethyl ester, sodium salt|Sulfuric acid, monomethyl ester, sodium salt (1:1)|UNII-38W76YJ3JN https://comptox.epa.gov/dashboard/chemical/details/DTXSID0042406
ARPathway2016 ARPathway2016_1628 Sodium m-xylene-4-sulfonate 827-21-4 DTXSID1041639 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC1=CC=C(C(C)=C1)S([O-])(=O)=O Sodium m-xylene-4-sulfonate 827-21-4|Sodium m-xylene-4-sulfonate|Benzenesulfonic acid, 2,4-dimethyl-, sodium salt (1:1)|EINECS 212-567-3|UNII-89D78082VE https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041639
ARPathway2016 ARPathway2016_1628 Sodium m-xylene-4-sulfonate 827-21-4 DTXSID1041639 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CC1=CC=C(C(C)=C1)S([O-])(=O)=O Sodium m-xylene-4-sulfonate 827-21-4|Sodium m-xylene-4-sulfonate|Benzenesulfonic acid, 2,4-dimethyl-, sodium salt (1:1)|EINECS 212-567-3|UNII-89D78082VE https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041639
ARPathway2016 ARPathway2016_1628 Sodium m-xylene-4-sulfonate 827-21-4 DTXSID1041639 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CC1=CC=C(C(C)=C1)S([O-])(=O)=O Sodium m-xylene-4-sulfonate 827-21-4|Sodium m-xylene-4-sulfonate|Benzenesulfonic acid, 2,4-dimethyl-, sodium salt (1:1)|EINECS 212-567-3|UNII-89D78082VE https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041639
ARPathway2016 ARPathway2016_1628 Sodium m-xylene-4-sulfonate 827-21-4 DTXSID1041639 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CC1=CC=C(C(C)=C1)S([O-])(=O)=O Sodium m-xylene-4-sulfonate 827-21-4|Sodium m-xylene-4-sulfonate|Benzenesulfonic acid, 2,4-dimethyl-, sodium salt (1:1)|EINECS 212-567-3|UNII-89D78082VE https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041639
ERPathway2016 ERPathway2016_19 Sodium m-xylene-4-sulfonate 827-21-4 DTXSID1041639 ER Pathway Model, Agonist AC50 23.3360276765623 uM [Na+].CC1=CC=C(C(C)=C1)S([O-])(=O)=O Sodium m-xylene-4-sulfonate 827-21-4|Sodium m-xylene-4-sulfonate|Benzenesulfonic acid, 2,4-dimethyl-, sodium salt (1:1)|EINECS 212-567-3|UNII-89D78082VE https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041639
ERPathway2016 ERPathway2016_19 Sodium m-xylene-4-sulfonate 827-21-4 DTXSID1041639 ER Pathway Model, Agonist ACC 14.3931898952969 uM [Na+].CC1=CC=C(C(C)=C1)S([O-])(=O)=O Sodium m-xylene-4-sulfonate 827-21-4|Sodium m-xylene-4-sulfonate|Benzenesulfonic acid, 2,4-dimethyl-, sodium salt (1:1)|EINECS 212-567-3|UNII-89D78082VE https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041639
ERPathway2016 ERPathway2016_19 Sodium m-xylene-4-sulfonate 827-21-4 DTXSID1041639 ER Pathway Model, Agonist Model Score 0.0123 Unitless [Na+].CC1=CC=C(C(C)=C1)S([O-])(=O)=O Sodium m-xylene-4-sulfonate 827-21-4|Sodium m-xylene-4-sulfonate|Benzenesulfonic acid, 2,4-dimethyl-, sodium salt (1:1)|EINECS 212-567-3|UNII-89D78082VE https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041639
ERPathway2016 ERPathway2016_19 Sodium m-xylene-4-sulfonate 827-21-4 DTXSID1041639 ER Pathway Model, Antagonist Model Score 0.0365 Unitless [Na+].CC1=CC=C(C(C)=C1)S([O-])(=O)=O Sodium m-xylene-4-sulfonate 827-21-4|Sodium m-xylene-4-sulfonate|Benzenesulfonic acid, 2,4-dimethyl-, sodium salt (1:1)|EINECS 212-567-3|UNII-89D78082VE https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041639
ERPathway2016 ERPathway2016_19 Sodium m-xylene-4-sulfonate 827-21-4 DTXSID1041639 ER Pathway Model, Agonist Call Active Unitless [Na+].CC1=CC=C(C(C)=C1)S([O-])(=O)=O Sodium m-xylene-4-sulfonate 827-21-4|Sodium m-xylene-4-sulfonate|Benzenesulfonic acid, 2,4-dimethyl-, sodium salt (1:1)|EINECS 212-567-3|UNII-89D78082VE https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041639
ERPathway2016 ERPathway2016_19 Sodium m-xylene-4-sulfonate 827-21-4 DTXSID1041639 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CC1=CC=C(C(C)=C1)S([O-])(=O)=O Sodium m-xylene-4-sulfonate 827-21-4|Sodium m-xylene-4-sulfonate|Benzenesulfonic acid, 2,4-dimethyl-, sodium salt (1:1)|EINECS 212-567-3|UNII-89D78082VE https://comptox.epa.gov/dashboard/chemical/details/DTXSID1041639
ARPathway2016 ARPathway2016_655 Sodium myristyl sulfate 1191-50-0 DTXSID4042416 1.0 A3 AR Pathway Model, Antagonist Model Score 0.00906 Unitless [Na+].CCCCCCCCCCCCCCOS([O-])(=O)=O Sodium myristyl sulfate 1191-50-0|Sodium myristyl sulfate|1-Tetradecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Tetradecanol, hydrogen sulfate sodium salt|1-Tetradecanol, hydrogen sulfate, sodium salt|Alscoap TM 30S|EINECS 214-737-2|FibroVein|Monotetradecyl sulfate sodium salt|Monotetradecylsulfate sodium salt|Myristyl sulfate, sodium salt|Natri tetradecylsulfas|Natrii tetradecyclis sulfas|NATRIUM-MYRISTYL-SULFAT|Natriumtetradecylsulfat|Nikkol SMS|NSC 139032|Sodium n-tetradecyl sulfate|Sodium tetradecane sulfate|Sodium tetradecyl sulfate|sodium tetradecyl sulphate|Sodium tetradecylsulfate|Sulfate de sodium et de tetradecyle|sulfato de sodio y tetradecilo|Sulfuric acid, myristyl ester, sodium salt|Tesapon K 14|TETRADEC-1-YL HYDROGEN SULFATE, SODIUM|Tetradecyl sodium sulfate|Tetradecyl sulfate, sodium salt|Texapon K 14|Tromboject|UNII-2X50FW96YS|22088-37-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042416
ARPathway2016 ARPathway2016_655 Sodium myristyl sulfate 1191-50-0 DTXSID4042416 1.0 A3 AR Pathway Model, Agonist Model Score 0.00649 Unitless [Na+].CCCCCCCCCCCCCCOS([O-])(=O)=O Sodium myristyl sulfate 1191-50-0|Sodium myristyl sulfate|1-Tetradecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Tetradecanol, hydrogen sulfate sodium salt|1-Tetradecanol, hydrogen sulfate, sodium salt|Alscoap TM 30S|EINECS 214-737-2|FibroVein|Monotetradecyl sulfate sodium salt|Monotetradecylsulfate sodium salt|Myristyl sulfate, sodium salt|Natri tetradecylsulfas|Natrii tetradecyclis sulfas|NATRIUM-MYRISTYL-SULFAT|Natriumtetradecylsulfat|Nikkol SMS|NSC 139032|Sodium n-tetradecyl sulfate|Sodium tetradecane sulfate|Sodium tetradecyl sulfate|sodium tetradecyl sulphate|Sodium tetradecylsulfate|Sulfate de sodium et de tetradecyle|sulfato de sodio y tetradecilo|Sulfuric acid, myristyl ester, sodium salt|Tesapon K 14|TETRADEC-1-YL HYDROGEN SULFATE, SODIUM|Tetradecyl sodium sulfate|Tetradecyl sulfate, sodium salt|Texapon K 14|Tromboject|UNII-2X50FW96YS|22088-37-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042416
ARPathway2016 ARPathway2016_655 Sodium myristyl sulfate 1191-50-0 DTXSID4042416 1.0 A3 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCCCCCCCCCCCOS([O-])(=O)=O Sodium myristyl sulfate 1191-50-0|Sodium myristyl sulfate|1-Tetradecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Tetradecanol, hydrogen sulfate sodium salt|1-Tetradecanol, hydrogen sulfate, sodium salt|Alscoap TM 30S|EINECS 214-737-2|FibroVein|Monotetradecyl sulfate sodium salt|Monotetradecylsulfate sodium salt|Myristyl sulfate, sodium salt|Natri tetradecylsulfas|Natrii tetradecyclis sulfas|NATRIUM-MYRISTYL-SULFAT|Natriumtetradecylsulfat|Nikkol SMS|NSC 139032|Sodium n-tetradecyl sulfate|Sodium tetradecane sulfate|Sodium tetradecyl sulfate|sodium tetradecyl sulphate|Sodium tetradecylsulfate|Sulfate de sodium et de tetradecyle|sulfato de sodio y tetradecilo|Sulfuric acid, myristyl ester, sodium salt|Tesapon K 14|TETRADEC-1-YL HYDROGEN SULFATE, SODIUM|Tetradecyl sodium sulfate|Tetradecyl sulfate, sodium salt|Texapon K 14|Tromboject|UNII-2X50FW96YS|22088-37-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042416
ARPathway2016 ARPathway2016_655 Sodium myristyl sulfate 1191-50-0 DTXSID4042416 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCCCCCCCOS([O-])(=O)=O Sodium myristyl sulfate 1191-50-0|Sodium myristyl sulfate|1-Tetradecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Tetradecanol, hydrogen sulfate sodium salt|1-Tetradecanol, hydrogen sulfate, sodium salt|Alscoap TM 30S|EINECS 214-737-2|FibroVein|Monotetradecyl sulfate sodium salt|Monotetradecylsulfate sodium salt|Myristyl sulfate, sodium salt|Natri tetradecylsulfas|Natrii tetradecyclis sulfas|NATRIUM-MYRISTYL-SULFAT|Natriumtetradecylsulfat|Nikkol SMS|NSC 139032|Sodium n-tetradecyl sulfate|Sodium tetradecane sulfate|Sodium tetradecyl sulfate|sodium tetradecyl sulphate|Sodium tetradecylsulfate|Sulfate de sodium et de tetradecyle|sulfato de sodio y tetradecilo|Sulfuric acid, myristyl ester, sodium salt|Tesapon K 14|TETRADEC-1-YL HYDROGEN SULFATE, SODIUM|Tetradecyl sodium sulfate|Tetradecyl sulfate, sodium salt|Texapon K 14|Tromboject|UNII-2X50FW96YS|22088-37-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042416
ERPathway2016 ERPathway2016_1202 Sodium myristyl sulfate 1191-50-0 DTXSID4042416 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCCCCCCCCCCCOS([O-])(=O)=O Sodium myristyl sulfate 1191-50-0|Sodium myristyl sulfate|1-Tetradecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Tetradecanol, hydrogen sulfate sodium salt|1-Tetradecanol, hydrogen sulfate, sodium salt|Alscoap TM 30S|EINECS 214-737-2|FibroVein|Monotetradecyl sulfate sodium salt|Monotetradecylsulfate sodium salt|Myristyl sulfate, sodium salt|Natri tetradecylsulfas|Natrii tetradecyclis sulfas|NATRIUM-MYRISTYL-SULFAT|Natriumtetradecylsulfat|Nikkol SMS|NSC 139032|Sodium n-tetradecyl sulfate|Sodium tetradecane sulfate|Sodium tetradecyl sulfate|sodium tetradecyl sulphate|Sodium tetradecylsulfate|Sulfate de sodium et de tetradecyle|sulfato de sodio y tetradecilo|Sulfuric acid, myristyl ester, sodium salt|Tesapon K 14|TETRADEC-1-YL HYDROGEN SULFATE, SODIUM|Tetradecyl sodium sulfate|Tetradecyl sulfate, sodium salt|Texapon K 14|Tromboject|UNII-2X50FW96YS|22088-37-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042416
ERPathway2016 ERPathway2016_1202 Sodium myristyl sulfate 1191-50-0 DTXSID4042416 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCCCCCCCCCCCOS([O-])(=O)=O Sodium myristyl sulfate 1191-50-0|Sodium myristyl sulfate|1-Tetradecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Tetradecanol, hydrogen sulfate sodium salt|1-Tetradecanol, hydrogen sulfate, sodium salt|Alscoap TM 30S|EINECS 214-737-2|FibroVein|Monotetradecyl sulfate sodium salt|Monotetradecylsulfate sodium salt|Myristyl sulfate, sodium salt|Natri tetradecylsulfas|Natrii tetradecyclis sulfas|NATRIUM-MYRISTYL-SULFAT|Natriumtetradecylsulfat|Nikkol SMS|NSC 139032|Sodium n-tetradecyl sulfate|Sodium tetradecane sulfate|Sodium tetradecyl sulfate|sodium tetradecyl sulphate|Sodium tetradecylsulfate|Sulfate de sodium et de tetradecyle|sulfato de sodio y tetradecilo|Sulfuric acid, myristyl ester, sodium salt|Tesapon K 14|TETRADEC-1-YL HYDROGEN SULFATE, SODIUM|Tetradecyl sodium sulfate|Tetradecyl sulfate, sodium salt|Texapon K 14|Tromboject|UNII-2X50FW96YS|22088-37-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042416
ERPathway2016 ERPathway2016_1202 Sodium myristyl sulfate 1191-50-0 DTXSID4042416 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCCCCCCCCCCCOS([O-])(=O)=O Sodium myristyl sulfate 1191-50-0|Sodium myristyl sulfate|1-Tetradecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Tetradecanol, hydrogen sulfate sodium salt|1-Tetradecanol, hydrogen sulfate, sodium salt|Alscoap TM 30S|EINECS 214-737-2|FibroVein|Monotetradecyl sulfate sodium salt|Monotetradecylsulfate sodium salt|Myristyl sulfate, sodium salt|Natri tetradecylsulfas|Natrii tetradecyclis sulfas|NATRIUM-MYRISTYL-SULFAT|Natriumtetradecylsulfat|Nikkol SMS|NSC 139032|Sodium n-tetradecyl sulfate|Sodium tetradecane sulfate|Sodium tetradecyl sulfate|sodium tetradecyl sulphate|Sodium tetradecylsulfate|Sulfate de sodium et de tetradecyle|sulfato de sodio y tetradecilo|Sulfuric acid, myristyl ester, sodium salt|Tesapon K 14|TETRADEC-1-YL HYDROGEN SULFATE, SODIUM|Tetradecyl sodium sulfate|Tetradecyl sulfate, sodium salt|Texapon K 14|Tromboject|UNII-2X50FW96YS|22088-37-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042416
ERPathway2016 ERPathway2016_1202 Sodium myristyl sulfate 1191-50-0 DTXSID4042416 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCCCCCCCOS([O-])(=O)=O Sodium myristyl sulfate 1191-50-0|Sodium myristyl sulfate|1-Tetradecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Tetradecanol, hydrogen sulfate sodium salt|1-Tetradecanol, hydrogen sulfate, sodium salt|Alscoap TM 30S|EINECS 214-737-2|FibroVein|Monotetradecyl sulfate sodium salt|Monotetradecylsulfate sodium salt|Myristyl sulfate, sodium salt|Natri tetradecylsulfas|Natrii tetradecyclis sulfas|NATRIUM-MYRISTYL-SULFAT|Natriumtetradecylsulfat|Nikkol SMS|NSC 139032|Sodium n-tetradecyl sulfate|Sodium tetradecane sulfate|Sodium tetradecyl sulfate|sodium tetradecyl sulphate|Sodium tetradecylsulfate|Sulfate de sodium et de tetradecyle|sulfato de sodio y tetradecilo|Sulfuric acid, myristyl ester, sodium salt|Tesapon K 14|TETRADEC-1-YL HYDROGEN SULFATE, SODIUM|Tetradecyl sodium sulfate|Tetradecyl sulfate, sodium salt|Texapon K 14|Tromboject|UNII-2X50FW96YS|22088-37-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042416
ARPathway2016 ARPathway2016_1538 Sodium nitrite 7632-00-0 DTXSID0020941 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]N=O Sodium nitrite 7632-00-0|Sodium nitrite|Anti-Rust|Azotyn sodowy|Caswell No. 782|Diazotizing salts|Dusitan sodny|EINECS 231-555-9|EPA Pesticide Chemical Code 076204|Erinitrit|Filmerine|NaNO2|Natrium nitrit|Natriumnitrit|NCI-C02084|Nitrite de sodium|nitrito de sodio|Nitrito sodico|Nitrous Acid Soda|Nitrous acid sodium salt (1:1)|Nitrous acid, sodium salt|Nitrous acid, sodium salt (1:1)|NSC 77391|Synfat 1004|UN 1500|UNII-M0KG633D4F|1992765-27-1|32863-15-3|56227-20-4|82497-43-6|82998-40-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020941 https://doi.org/10.22427/NTP-DATA-DTXSID0020941
ARPathway2016 ARPathway2016_1538 Sodium nitrite 7632-00-0 DTXSID0020941 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]N=O Sodium nitrite 7632-00-0|Sodium nitrite|Anti-Rust|Azotyn sodowy|Caswell No. 782|Diazotizing salts|Dusitan sodny|EINECS 231-555-9|EPA Pesticide Chemical Code 076204|Erinitrit|Filmerine|NaNO2|Natrium nitrit|Natriumnitrit|NCI-C02084|Nitrite de sodium|nitrito de sodio|Nitrito sodico|Nitrous Acid Soda|Nitrous acid sodium salt (1:1)|Nitrous acid, sodium salt|Nitrous acid, sodium salt (1:1)|NSC 77391|Synfat 1004|UN 1500|UNII-M0KG633D4F|1992765-27-1|32863-15-3|56227-20-4|82497-43-6|82998-40-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020941 https://doi.org/10.22427/NTP-DATA-DTXSID0020941
ARPathway2016 ARPathway2016_1538 Sodium nitrite 7632-00-0 DTXSID0020941 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]N=O Sodium nitrite 7632-00-0|Sodium nitrite|Anti-Rust|Azotyn sodowy|Caswell No. 782|Diazotizing salts|Dusitan sodny|EINECS 231-555-9|EPA Pesticide Chemical Code 076204|Erinitrit|Filmerine|NaNO2|Natrium nitrit|Natriumnitrit|NCI-C02084|Nitrite de sodium|nitrito de sodio|Nitrito sodico|Nitrous Acid Soda|Nitrous acid sodium salt (1:1)|Nitrous acid, sodium salt|Nitrous acid, sodium salt (1:1)|NSC 77391|Synfat 1004|UN 1500|UNII-M0KG633D4F|1992765-27-1|32863-15-3|56227-20-4|82497-43-6|82998-40-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020941 https://doi.org/10.22427/NTP-DATA-DTXSID0020941
ARPathway2016 ARPathway2016_1538 Sodium nitrite 7632-00-0 DTXSID0020941 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]N=O Sodium nitrite 7632-00-0|Sodium nitrite|Anti-Rust|Azotyn sodowy|Caswell No. 782|Diazotizing salts|Dusitan sodny|EINECS 231-555-9|EPA Pesticide Chemical Code 076204|Erinitrit|Filmerine|NaNO2|Natrium nitrit|Natriumnitrit|NCI-C02084|Nitrite de sodium|nitrito de sodio|Nitrito sodico|Nitrous Acid Soda|Nitrous acid sodium salt (1:1)|Nitrous acid, sodium salt|Nitrous acid, sodium salt (1:1)|NSC 77391|Synfat 1004|UN 1500|UNII-M0KG633D4F|1992765-27-1|32863-15-3|56227-20-4|82497-43-6|82998-40-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020941 https://doi.org/10.22427/NTP-DATA-DTXSID0020941
ERPathway2016 ERPathway2016_1645 Sodium nitrite 7632-00-0 DTXSID0020941 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]N=O Sodium nitrite 7632-00-0|Sodium nitrite|Anti-Rust|Azotyn sodowy|Caswell No. 782|Diazotizing salts|Dusitan sodny|EINECS 231-555-9|EPA Pesticide Chemical Code 076204|Erinitrit|Filmerine|NaNO2|Natrium nitrit|Natriumnitrit|NCI-C02084|Nitrite de sodium|nitrito de sodio|Nitrito sodico|Nitrous Acid Soda|Nitrous acid sodium salt (1:1)|Nitrous acid, sodium salt|Nitrous acid, sodium salt (1:1)|NSC 77391|Synfat 1004|UN 1500|UNII-M0KG633D4F|1992765-27-1|32863-15-3|56227-20-4|82497-43-6|82998-40-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020941 https://doi.org/10.22427/NTP-DATA-DTXSID0020941
ERPathway2016 ERPathway2016_1645 Sodium nitrite 7632-00-0 DTXSID0020941 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]N=O Sodium nitrite 7632-00-0|Sodium nitrite|Anti-Rust|Azotyn sodowy|Caswell No. 782|Diazotizing salts|Dusitan sodny|EINECS 231-555-9|EPA Pesticide Chemical Code 076204|Erinitrit|Filmerine|NaNO2|Natrium nitrit|Natriumnitrit|NCI-C02084|Nitrite de sodium|nitrito de sodio|Nitrito sodico|Nitrous Acid Soda|Nitrous acid sodium salt (1:1)|Nitrous acid, sodium salt|Nitrous acid, sodium salt (1:1)|NSC 77391|Synfat 1004|UN 1500|UNII-M0KG633D4F|1992765-27-1|32863-15-3|56227-20-4|82497-43-6|82998-40-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020941 https://doi.org/10.22427/NTP-DATA-DTXSID0020941
ERPathway2016 ERPathway2016_1645 Sodium nitrite 7632-00-0 DTXSID0020941 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]N=O Sodium nitrite 7632-00-0|Sodium nitrite|Anti-Rust|Azotyn sodowy|Caswell No. 782|Diazotizing salts|Dusitan sodny|EINECS 231-555-9|EPA Pesticide Chemical Code 076204|Erinitrit|Filmerine|NaNO2|Natrium nitrit|Natriumnitrit|NCI-C02084|Nitrite de sodium|nitrito de sodio|Nitrito sodico|Nitrous Acid Soda|Nitrous acid sodium salt (1:1)|Nitrous acid, sodium salt|Nitrous acid, sodium salt (1:1)|NSC 77391|Synfat 1004|UN 1500|UNII-M0KG633D4F|1992765-27-1|32863-15-3|56227-20-4|82497-43-6|82998-40-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020941 https://doi.org/10.22427/NTP-DATA-DTXSID0020941
ERPathway2016 ERPathway2016_1645 Sodium nitrite 7632-00-0 DTXSID0020941 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]N=O Sodium nitrite 7632-00-0|Sodium nitrite|Anti-Rust|Azotyn sodowy|Caswell No. 782|Diazotizing salts|Dusitan sodny|EINECS 231-555-9|EPA Pesticide Chemical Code 076204|Erinitrit|Filmerine|NaNO2|Natrium nitrit|Natriumnitrit|NCI-C02084|Nitrite de sodium|nitrito de sodio|Nitrito sodico|Nitrous Acid Soda|Nitrous acid sodium salt (1:1)|Nitrous acid, sodium salt|Nitrous acid, sodium salt (1:1)|NSC 77391|Synfat 1004|UN 1500|UNII-M0KG633D4F|1992765-27-1|32863-15-3|56227-20-4|82497-43-6|82998-40-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0020941 https://doi.org/10.22427/NTP-DATA-DTXSID0020941
ARPathway2016 ARPathway2016_491 Sodium nonyl sulfate 1072-15-7 DTXSID7047487 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCCCCCCOS([O-])(=O)=O Sodium nonyl sulfate 1072-15-7|Sodium nonyl sulfate|EINECS 214-002-6|Sulfuric acid, monononyl ester, sodium salt|Sulfuric acid, monononyl ester, sodium salt (1:1)|UNII-FT7KJ97OK6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047487
ARPathway2016 ARPathway2016_491 Sodium nonyl sulfate 1072-15-7 DTXSID7047487 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCCCCCCOS([O-])(=O)=O Sodium nonyl sulfate 1072-15-7|Sodium nonyl sulfate|EINECS 214-002-6|Sulfuric acid, monononyl ester, sodium salt|Sulfuric acid, monononyl ester, sodium salt (1:1)|UNII-FT7KJ97OK6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047487
ARPathway2016 ARPathway2016_491 Sodium nonyl sulfate 1072-15-7 DTXSID7047487 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCCCCCCOS([O-])(=O)=O Sodium nonyl sulfate 1072-15-7|Sodium nonyl sulfate|EINECS 214-002-6|Sulfuric acid, monononyl ester, sodium salt|Sulfuric acid, monononyl ester, sodium salt (1:1)|UNII-FT7KJ97OK6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047487
ARPathway2016 ARPathway2016_491 Sodium nonyl sulfate 1072-15-7 DTXSID7047487 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCCOS([O-])(=O)=O Sodium nonyl sulfate 1072-15-7|Sodium nonyl sulfate|EINECS 214-002-6|Sulfuric acid, monononyl ester, sodium salt|Sulfuric acid, monononyl ester, sodium salt (1:1)|UNII-FT7KJ97OK6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047487
ERPathway2016 ERPathway2016_242 Sodium nonyl sulfate 1072-15-7 DTXSID7047487 ER Pathway Model, Antagonist AC50 13.6842417717737 uM [Na+].CCCCCCCCCOS([O-])(=O)=O Sodium nonyl sulfate 1072-15-7|Sodium nonyl sulfate|EINECS 214-002-6|Sulfuric acid, monononyl ester, sodium salt|Sulfuric acid, monononyl ester, sodium salt (1:1)|UNII-FT7KJ97OK6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047487
ERPathway2016 ERPathway2016_242 Sodium nonyl sulfate 1072-15-7 DTXSID7047487 ER Pathway Model, Antagonist ACC 8.76142093465354 uM [Na+].CCCCCCCCCOS([O-])(=O)=O Sodium nonyl sulfate 1072-15-7|Sodium nonyl sulfate|EINECS 214-002-6|Sulfuric acid, monononyl ester, sodium salt|Sulfuric acid, monononyl ester, sodium salt (1:1)|UNII-FT7KJ97OK6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047487
ERPathway2016 ERPathway2016_242 Sodium nonyl sulfate 1072-15-7 DTXSID7047487 ER Pathway Model, Agonist Model Score 0.093 Unitless [Na+].CCCCCCCCCOS([O-])(=O)=O Sodium nonyl sulfate 1072-15-7|Sodium nonyl sulfate|EINECS 214-002-6|Sulfuric acid, monononyl ester, sodium salt|Sulfuric acid, monononyl ester, sodium salt (1:1)|UNII-FT7KJ97OK6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047487
ERPathway2016 ERPathway2016_242 Sodium nonyl sulfate 1072-15-7 DTXSID7047487 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCCCCCCOS([O-])(=O)=O Sodium nonyl sulfate 1072-15-7|Sodium nonyl sulfate|EINECS 214-002-6|Sulfuric acid, monononyl ester, sodium salt|Sulfuric acid, monononyl ester, sodium salt (1:1)|UNII-FT7KJ97OK6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047487
ERPathway2016 ERPathway2016_242 Sodium nonyl sulfate 1072-15-7 DTXSID7047487 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCCCCCCOS([O-])(=O)=O Sodium nonyl sulfate 1072-15-7|Sodium nonyl sulfate|EINECS 214-002-6|Sulfuric acid, monononyl ester, sodium salt|Sulfuric acid, monononyl ester, sodium salt (1:1)|UNII-FT7KJ97OK6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047487
ERPathway2016 ERPathway2016_242 Sodium nonyl sulfate 1072-15-7 DTXSID7047487 ER Pathway Model, Antagonist Call Active Unitless [Na+].CCCCCCCCCOS([O-])(=O)=O Sodium nonyl sulfate 1072-15-7|Sodium nonyl sulfate|EINECS 214-002-6|Sulfuric acid, monononyl ester, sodium salt|Sulfuric acid, monononyl ester, sodium salt (1:1)|UNII-FT7KJ97OK6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7047487
ARPathway2016 ARPathway2016_844 Sodium octyl sulfate 142-31-4 DTXSID9036226 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCCCCCOS([O-])(=O)=O Sodium octyl sulfate 142-31-4|Sodium octyl sulfate|Cycloryl OS|EINECS 205-535-5|Octyl sodium sulfate|Sipex ols|Sodium capryl sulfate|Sulfuric acid, monooctyl ester, sodium salt|Sulfuric acid, monooctyl ester, sodium salt (1:1)|UNII-6RZL727210 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036226
ARPathway2016 ARPathway2016_844 Sodium octyl sulfate 142-31-4 DTXSID9036226 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCCCCCOS([O-])(=O)=O Sodium octyl sulfate 142-31-4|Sodium octyl sulfate|Cycloryl OS|EINECS 205-535-5|Octyl sodium sulfate|Sipex ols|Sodium capryl sulfate|Sulfuric acid, monooctyl ester, sodium salt|Sulfuric acid, monooctyl ester, sodium salt (1:1)|UNII-6RZL727210 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036226
ARPathway2016 ARPathway2016_844 Sodium octyl sulfate 142-31-4 DTXSID9036226 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCCCCCOS([O-])(=O)=O Sodium octyl sulfate 142-31-4|Sodium octyl sulfate|Cycloryl OS|EINECS 205-535-5|Octyl sodium sulfate|Sipex ols|Sodium capryl sulfate|Sulfuric acid, monooctyl ester, sodium salt|Sulfuric acid, monooctyl ester, sodium salt (1:1)|UNII-6RZL727210 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036226
ARPathway2016 ARPathway2016_844 Sodium octyl sulfate 142-31-4 DTXSID9036226 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCOS([O-])(=O)=O Sodium octyl sulfate 142-31-4|Sodium octyl sulfate|Cycloryl OS|EINECS 205-535-5|Octyl sodium sulfate|Sipex ols|Sodium capryl sulfate|Sulfuric acid, monooctyl ester, sodium salt|Sulfuric acid, monooctyl ester, sodium salt (1:1)|UNII-6RZL727210 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036226
ERPathway2016 ERPathway2016_764 Sodium octyl sulfate 142-31-4 DTXSID9036226 R6 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCCCCCOS([O-])(=O)=O Sodium octyl sulfate 142-31-4|Sodium octyl sulfate|Cycloryl OS|EINECS 205-535-5|Octyl sodium sulfate|Sipex ols|Sodium capryl sulfate|Sulfuric acid, monooctyl ester, sodium salt|Sulfuric acid, monooctyl ester, sodium salt (1:1)|UNII-6RZL727210 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036226
ERPathway2016 ERPathway2016_764 Sodium octyl sulfate 142-31-4 DTXSID9036226 R6 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCCCCCOS([O-])(=O)=O Sodium octyl sulfate 142-31-4|Sodium octyl sulfate|Cycloryl OS|EINECS 205-535-5|Octyl sodium sulfate|Sipex ols|Sodium capryl sulfate|Sulfuric acid, monooctyl ester, sodium salt|Sulfuric acid, monooctyl ester, sodium salt (1:1)|UNII-6RZL727210 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036226
ERPathway2016 ERPathway2016_764 Sodium octyl sulfate 142-31-4 DTXSID9036226 R6 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCCCCCOS([O-])(=O)=O Sodium octyl sulfate 142-31-4|Sodium octyl sulfate|Cycloryl OS|EINECS 205-535-5|Octyl sodium sulfate|Sipex ols|Sodium capryl sulfate|Sulfuric acid, monooctyl ester, sodium salt|Sulfuric acid, monooctyl ester, sodium salt (1:1)|UNII-6RZL727210 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036226
ERPathway2016 ERPathway2016_764 Sodium octyl sulfate 142-31-4 DTXSID9036226 R6 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCOS([O-])(=O)=O Sodium octyl sulfate 142-31-4|Sodium octyl sulfate|Cycloryl OS|EINECS 205-535-5|Octyl sodium sulfate|Sipex ols|Sodium capryl sulfate|Sulfuric acid, monooctyl ester, sodium salt|Sulfuric acid, monooctyl ester, sodium salt (1:1)|UNII-6RZL727210 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036226
ARPathway2016 ARPathway2016_1557 Sodium persulfate 7775-27-1 DTXSID4029698 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].[O-]S(=O)(=O)OOS([O-])(=O)=O Sodium persulfate 7775-27-1|Sodium persulfate|Dinatriumperoxodisulfat|disodium peroxodisulfate|disodium peroxodisulphate|Disodium peroxydisulfate|Disodium persulfate|EINECS 231-892-1|NATRIUMPERSULFAT|Peroxodisulfate de disodium|peroxodisulfato de disodio|Peroxydisulfuric acid (((HO)S(O)2)2O2), disodium salt|Peroxydisulfuric acid ([(HO)S(O)2]2O2), disodium salt|Peroxydisulfuric acid ([(HO)S(O)2]2O2), sodium salt (1:2)|Peroxydisulfuric acid, ([(HO)S(O)2]2O2), disodium salt|Peroxydisulfuric acid, disodium salt|PEROXYDISULFURIC ACID, SODIUM SALT|Persulfate de sodium|Sodium dipersulfate|Sodium peroxodisulfate|Sodium peroxydisulfate|UN 1505|UNII-J49FYF16JE|2554533-73-0|872981-99-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029698
ARPathway2016 ARPathway2016_1557 Sodium persulfate 7775-27-1 DTXSID4029698 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].[O-]S(=O)(=O)OOS([O-])(=O)=O Sodium persulfate 7775-27-1|Sodium persulfate|Dinatriumperoxodisulfat|disodium peroxodisulfate|disodium peroxodisulphate|Disodium peroxydisulfate|Disodium persulfate|EINECS 231-892-1|NATRIUMPERSULFAT|Peroxodisulfate de disodium|peroxodisulfato de disodio|Peroxydisulfuric acid (((HO)S(O)2)2O2), disodium salt|Peroxydisulfuric acid ([(HO)S(O)2]2O2), disodium salt|Peroxydisulfuric acid ([(HO)S(O)2]2O2), sodium salt (1:2)|Peroxydisulfuric acid, ([(HO)S(O)2]2O2), disodium salt|Peroxydisulfuric acid, disodium salt|PEROXYDISULFURIC ACID, SODIUM SALT|Persulfate de sodium|Sodium dipersulfate|Sodium peroxodisulfate|Sodium peroxydisulfate|UN 1505|UNII-J49FYF16JE|2554533-73-0|872981-99-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029698
ARPathway2016 ARPathway2016_1557 Sodium persulfate 7775-27-1 DTXSID4029698 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].[O-]S(=O)(=O)OOS([O-])(=O)=O Sodium persulfate 7775-27-1|Sodium persulfate|Dinatriumperoxodisulfat|disodium peroxodisulfate|disodium peroxodisulphate|Disodium peroxydisulfate|Disodium persulfate|EINECS 231-892-1|NATRIUMPERSULFAT|Peroxodisulfate de disodium|peroxodisulfato de disodio|Peroxydisulfuric acid (((HO)S(O)2)2O2), disodium salt|Peroxydisulfuric acid ([(HO)S(O)2]2O2), disodium salt|Peroxydisulfuric acid ([(HO)S(O)2]2O2), sodium salt (1:2)|Peroxydisulfuric acid, ([(HO)S(O)2]2O2), disodium salt|Peroxydisulfuric acid, disodium salt|PEROXYDISULFURIC ACID, SODIUM SALT|Persulfate de sodium|Sodium dipersulfate|Sodium peroxodisulfate|Sodium peroxydisulfate|UN 1505|UNII-J49FYF16JE|2554533-73-0|872981-99-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029698
ARPathway2016 ARPathway2016_1557 Sodium persulfate 7775-27-1 DTXSID4029698 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].[O-]S(=O)(=O)OOS([O-])(=O)=O Sodium persulfate 7775-27-1|Sodium persulfate|Dinatriumperoxodisulfat|disodium peroxodisulfate|disodium peroxodisulphate|Disodium peroxydisulfate|Disodium persulfate|EINECS 231-892-1|NATRIUMPERSULFAT|Peroxodisulfate de disodium|peroxodisulfato de disodio|Peroxydisulfuric acid (((HO)S(O)2)2O2), disodium salt|Peroxydisulfuric acid ([(HO)S(O)2]2O2), disodium salt|Peroxydisulfuric acid ([(HO)S(O)2]2O2), sodium salt (1:2)|Peroxydisulfuric acid, ([(HO)S(O)2]2O2), disodium salt|Peroxydisulfuric acid, disodium salt|PEROXYDISULFURIC ACID, SODIUM SALT|Persulfate de sodium|Sodium dipersulfate|Sodium peroxodisulfate|Sodium peroxydisulfate|UN 1505|UNII-J49FYF16JE|2554533-73-0|872981-99-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029698
ERPathway2016 ERPathway2016_1655 Sodium persulfate 7775-27-1 DTXSID4029698 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[Na+].[O-]S(=O)(=O)OOS([O-])(=O)=O Sodium persulfate 7775-27-1|Sodium persulfate|Dinatriumperoxodisulfat|disodium peroxodisulfate|disodium peroxodisulphate|Disodium peroxydisulfate|Disodium persulfate|EINECS 231-892-1|NATRIUMPERSULFAT|Peroxodisulfate de disodium|peroxodisulfato de disodio|Peroxydisulfuric acid (((HO)S(O)2)2O2), disodium salt|Peroxydisulfuric acid ([(HO)S(O)2]2O2), disodium salt|Peroxydisulfuric acid ([(HO)S(O)2]2O2), sodium salt (1:2)|Peroxydisulfuric acid, ([(HO)S(O)2]2O2), disodium salt|Peroxydisulfuric acid, disodium salt|PEROXYDISULFURIC ACID, SODIUM SALT|Persulfate de sodium|Sodium dipersulfate|Sodium peroxodisulfate|Sodium peroxydisulfate|UN 1505|UNII-J49FYF16JE|2554533-73-0|872981-99-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029698
ERPathway2016 ERPathway2016_1655 Sodium persulfate 7775-27-1 DTXSID4029698 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[Na+].[O-]S(=O)(=O)OOS([O-])(=O)=O Sodium persulfate 7775-27-1|Sodium persulfate|Dinatriumperoxodisulfat|disodium peroxodisulfate|disodium peroxodisulphate|Disodium peroxydisulfate|Disodium persulfate|EINECS 231-892-1|NATRIUMPERSULFAT|Peroxodisulfate de disodium|peroxodisulfato de disodio|Peroxydisulfuric acid (((HO)S(O)2)2O2), disodium salt|Peroxydisulfuric acid ([(HO)S(O)2]2O2), disodium salt|Peroxydisulfuric acid ([(HO)S(O)2]2O2), sodium salt (1:2)|Peroxydisulfuric acid, ([(HO)S(O)2]2O2), disodium salt|Peroxydisulfuric acid, disodium salt|PEROXYDISULFURIC ACID, SODIUM SALT|Persulfate de sodium|Sodium dipersulfate|Sodium peroxodisulfate|Sodium peroxydisulfate|UN 1505|UNII-J49FYF16JE|2554533-73-0|872981-99-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029698
ERPathway2016 ERPathway2016_1655 Sodium persulfate 7775-27-1 DTXSID4029698 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[Na+].[O-]S(=O)(=O)OOS([O-])(=O)=O Sodium persulfate 7775-27-1|Sodium persulfate|Dinatriumperoxodisulfat|disodium peroxodisulfate|disodium peroxodisulphate|Disodium peroxydisulfate|Disodium persulfate|EINECS 231-892-1|NATRIUMPERSULFAT|Peroxodisulfate de disodium|peroxodisulfato de disodio|Peroxydisulfuric acid (((HO)S(O)2)2O2), disodium salt|Peroxydisulfuric acid ([(HO)S(O)2]2O2), disodium salt|Peroxydisulfuric acid ([(HO)S(O)2]2O2), sodium salt (1:2)|Peroxydisulfuric acid, ([(HO)S(O)2]2O2), disodium salt|Peroxydisulfuric acid, disodium salt|PEROXYDISULFURIC ACID, SODIUM SALT|Persulfate de sodium|Sodium dipersulfate|Sodium peroxodisulfate|Sodium peroxydisulfate|UN 1505|UNII-J49FYF16JE|2554533-73-0|872981-99-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029698
ERPathway2016 ERPathway2016_1655 Sodium persulfate 7775-27-1 DTXSID4029698 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[Na+].[O-]S(=O)(=O)OOS([O-])(=O)=O Sodium persulfate 7775-27-1|Sodium persulfate|Dinatriumperoxodisulfat|disodium peroxodisulfate|disodium peroxodisulphate|Disodium peroxydisulfate|Disodium persulfate|EINECS 231-892-1|NATRIUMPERSULFAT|Peroxodisulfate de disodium|peroxodisulfato de disodio|Peroxydisulfuric acid (((HO)S(O)2)2O2), disodium salt|Peroxydisulfuric acid ([(HO)S(O)2]2O2), disodium salt|Peroxydisulfuric acid ([(HO)S(O)2]2O2), sodium salt (1:2)|Peroxydisulfuric acid, ([(HO)S(O)2]2O2), disodium salt|Peroxydisulfuric acid, disodium salt|PEROXYDISULFURIC ACID, SODIUM SALT|Persulfate de sodium|Sodium dipersulfate|Sodium peroxodisulfate|Sodium peroxydisulfate|UN 1505|UNII-J49FYF16JE|2554533-73-0|872981-99-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4029698
ARPathway2016 ARPathway2016_817 Sodium phenolate 139-02-6 DTXSID4027072 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C1=CC=CC=C1 Sodium phenolate 139-02-6|Sodium phenolate|Caswell No. 786A|EINECS 205-347-3|EPA Pesticide Chemical Code 064002|fenoxido de sodio|NATRIUMPHENOLAT|Natriumphenoxid|Phenol sodium|Phenol, sodium salt|Phenol, sodium salt (1:1)|Phenolate de sodium|Phenolate sodium|PHENOLATE, SODIUM|Sodium carbolate|Sodium phenate|sodium phenoxide|Sodium phenylate|UN 2497|UNII-4NC0T56V35|860383-26-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027072
ARPathway2016 ARPathway2016_817 Sodium phenolate 139-02-6 DTXSID4027072 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C1=CC=CC=C1 Sodium phenolate 139-02-6|Sodium phenolate|Caswell No. 786A|EINECS 205-347-3|EPA Pesticide Chemical Code 064002|fenoxido de sodio|NATRIUMPHENOLAT|Natriumphenoxid|Phenol sodium|Phenol, sodium salt|Phenol, sodium salt (1:1)|Phenolate de sodium|Phenolate sodium|PHENOLATE, SODIUM|Sodium carbolate|Sodium phenate|sodium phenoxide|Sodium phenylate|UN 2497|UNII-4NC0T56V35|860383-26-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027072
ARPathway2016 ARPathway2016_817 Sodium phenolate 139-02-6 DTXSID4027072 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C1=CC=CC=C1 Sodium phenolate 139-02-6|Sodium phenolate|Caswell No. 786A|EINECS 205-347-3|EPA Pesticide Chemical Code 064002|fenoxido de sodio|NATRIUMPHENOLAT|Natriumphenoxid|Phenol sodium|Phenol, sodium salt|Phenol, sodium salt (1:1)|Phenolate de sodium|Phenolate sodium|PHENOLATE, SODIUM|Sodium carbolate|Sodium phenate|sodium phenoxide|Sodium phenylate|UN 2497|UNII-4NC0T56V35|860383-26-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027072
ARPathway2016 ARPathway2016_817 Sodium phenolate 139-02-6 DTXSID4027072 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C1=CC=CC=C1 Sodium phenolate 139-02-6|Sodium phenolate|Caswell No. 786A|EINECS 205-347-3|EPA Pesticide Chemical Code 064002|fenoxido de sodio|NATRIUMPHENOLAT|Natriumphenoxid|Phenol sodium|Phenol, sodium salt|Phenol, sodium salt (1:1)|Phenolate de sodium|Phenolate sodium|PHENOLATE, SODIUM|Sodium carbolate|Sodium phenate|sodium phenoxide|Sodium phenylate|UN 2497|UNII-4NC0T56V35|860383-26-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027072
ERPathway2016 ERPathway2016_712 Sodium phenolate 139-02-6 DTXSID4027072 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C1=CC=CC=C1 Sodium phenolate 139-02-6|Sodium phenolate|Caswell No. 786A|EINECS 205-347-3|EPA Pesticide Chemical Code 064002|fenoxido de sodio|NATRIUMPHENOLAT|Natriumphenoxid|Phenol sodium|Phenol, sodium salt|Phenol, sodium salt (1:1)|Phenolate de sodium|Phenolate sodium|PHENOLATE, SODIUM|Sodium carbolate|Sodium phenate|sodium phenoxide|Sodium phenylate|UN 2497|UNII-4NC0T56V35|860383-26-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027072
ERPathway2016 ERPathway2016_712 Sodium phenolate 139-02-6 DTXSID4027072 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C1=CC=CC=C1 Sodium phenolate 139-02-6|Sodium phenolate|Caswell No. 786A|EINECS 205-347-3|EPA Pesticide Chemical Code 064002|fenoxido de sodio|NATRIUMPHENOLAT|Natriumphenoxid|Phenol sodium|Phenol, sodium salt|Phenol, sodium salt (1:1)|Phenolate de sodium|Phenolate sodium|PHENOLATE, SODIUM|Sodium carbolate|Sodium phenate|sodium phenoxide|Sodium phenylate|UN 2497|UNII-4NC0T56V35|860383-26-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027072
ERPathway2016 ERPathway2016_712 Sodium phenolate 139-02-6 DTXSID4027072 ER Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C1=CC=CC=C1 Sodium phenolate 139-02-6|Sodium phenolate|Caswell No. 786A|EINECS 205-347-3|EPA Pesticide Chemical Code 064002|fenoxido de sodio|NATRIUMPHENOLAT|Natriumphenoxid|Phenol sodium|Phenol, sodium salt|Phenol, sodium salt (1:1)|Phenolate de sodium|Phenolate sodium|PHENOLATE, SODIUM|Sodium carbolate|Sodium phenate|sodium phenoxide|Sodium phenylate|UN 2497|UNII-4NC0T56V35|860383-26-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027072
ERPathway2016 ERPathway2016_712 Sodium phenolate 139-02-6 DTXSID4027072 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C1=CC=CC=C1 Sodium phenolate 139-02-6|Sodium phenolate|Caswell No. 786A|EINECS 205-347-3|EPA Pesticide Chemical Code 064002|fenoxido de sodio|NATRIUMPHENOLAT|Natriumphenoxid|Phenol sodium|Phenol, sodium salt|Phenol, sodium salt (1:1)|Phenolate de sodium|Phenolate sodium|PHENOLATE, SODIUM|Sodium carbolate|Sodium phenate|sodium phenoxide|Sodium phenylate|UN 2497|UNII-4NC0T56V35|860383-26-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027072
ARPathway2016 ARPathway2016_1620 Sodium saccharin hydrate 82385-42-0 DTXSID7021992 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless O.[Na+].O=C1[N-]S(=O)(=O)C2=CC=CC=C12 Sodium saccharin hydrate 82385-42-0|Sodium saccharin hydrate|Saccharin sodium salt hydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021992
ARPathway2016 ARPathway2016_1620 Sodium saccharin hydrate 82385-42-0 DTXSID7021992 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless O.[Na+].O=C1[N-]S(=O)(=O)C2=CC=CC=C12 Sodium saccharin hydrate 82385-42-0|Sodium saccharin hydrate|Saccharin sodium salt hydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021992
ARPathway2016 ARPathway2016_1620 Sodium saccharin hydrate 82385-42-0 DTXSID7021992 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless O.[Na+].O=C1[N-]S(=O)(=O)C2=CC=CC=C12 Sodium saccharin hydrate 82385-42-0|Sodium saccharin hydrate|Saccharin sodium salt hydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021992
ARPathway2016 ARPathway2016_1620 Sodium saccharin hydrate 82385-42-0 DTXSID7021992 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless O.[Na+].O=C1[N-]S(=O)(=O)C2=CC=CC=C12 Sodium saccharin hydrate 82385-42-0|Sodium saccharin hydrate|Saccharin sodium salt hydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021992
ERPathway2016 ERPathway2016_322 Sodium saccharin hydrate 82385-42-0 DTXSID7021992 ER Pathway Model, Antagonist AC50 11.0177810880626 uM O.[Na+].O=C1[N-]S(=O)(=O)C2=CC=CC=C12 Sodium saccharin hydrate 82385-42-0|Sodium saccharin hydrate|Saccharin sodium salt hydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021992
ERPathway2016 ERPathway2016_322 Sodium saccharin hydrate 82385-42-0 DTXSID7021992 ER Pathway Model, Antagonist ACC 4.16302488852786 uM O.[Na+].O=C1[N-]S(=O)(=O)C2=CC=CC=C12 Sodium saccharin hydrate 82385-42-0|Sodium saccharin hydrate|Saccharin sodium salt hydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021992
ERPathway2016 ERPathway2016_322 Sodium saccharin hydrate 82385-42-0 DTXSID7021992 ER Pathway Model, Agonist Model Score 0.0257 Unitless O.[Na+].O=C1[N-]S(=O)(=O)C2=CC=CC=C12 Sodium saccharin hydrate 82385-42-0|Sodium saccharin hydrate|Saccharin sodium salt hydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021992
ERPathway2016 ERPathway2016_322 Sodium saccharin hydrate 82385-42-0 DTXSID7021992 ER Pathway Model, Antagonist Model Score 0 Unitless O.[Na+].O=C1[N-]S(=O)(=O)C2=CC=CC=C12 Sodium saccharin hydrate 82385-42-0|Sodium saccharin hydrate|Saccharin sodium salt hydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021992
ERPathway2016 ERPathway2016_322 Sodium saccharin hydrate 82385-42-0 DTXSID7021992 ER Pathway Model, Agonist Call Inactive Unitless O.[Na+].O=C1[N-]S(=O)(=O)C2=CC=CC=C12 Sodium saccharin hydrate 82385-42-0|Sodium saccharin hydrate|Saccharin sodium salt hydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021992
ERPathway2016 ERPathway2016_322 Sodium saccharin hydrate 82385-42-0 DTXSID7021992 ER Pathway Model, Antagonist Call Active Unitless O.[Na+].O=C1[N-]S(=O)(=O)C2=CC=CC=C12 Sodium saccharin hydrate 82385-42-0|Sodium saccharin hydrate|Saccharin sodium salt hydrate https://comptox.epa.gov/dashboard/chemical/details/DTXSID7021992
ARPathway2016 ARPathway2016_810 Sodium tetrafluoroborate 13755-29-8 DTXSID9021477 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].F[B-](F)(F)F Sodium tetrafluoroborate 13755-29-8|Sodium tetrafluoroborate|Apreton R|Borate(1-), tetrafluoro-, sodium|Borate(1-), tetrafluoro-, sodium (1:1)|Boron sodium fluoride|EINECS 237-340-6|NATRIUM-TETRAFLUOROBORAT|Natriumtetrafluoroborat|NSC 77386|Sodium borofluoride|Sodium boron fluoride|Sodium boron tetrafluoride|Sodium fluoborate|SODIUM FLUOROBORATE|Sodium tetrafluoroborate(1-)|Tetrafluoroborate de sodium|Tetrafluoroborate(1-), sodium|tetrafluoroborato de sodio|UNII-CFC805A5WR|109704-86-1|12712-70-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021477
ARPathway2016 ARPathway2016_810 Sodium tetrafluoroborate 13755-29-8 DTXSID9021477 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].F[B-](F)(F)F Sodium tetrafluoroborate 13755-29-8|Sodium tetrafluoroborate|Apreton R|Borate(1-), tetrafluoro-, sodium|Borate(1-), tetrafluoro-, sodium (1:1)|Boron sodium fluoride|EINECS 237-340-6|NATRIUM-TETRAFLUOROBORAT|Natriumtetrafluoroborat|NSC 77386|Sodium borofluoride|Sodium boron fluoride|Sodium boron tetrafluoride|Sodium fluoborate|SODIUM FLUOROBORATE|Sodium tetrafluoroborate(1-)|Tetrafluoroborate de sodium|Tetrafluoroborate(1-), sodium|tetrafluoroborato de sodio|UNII-CFC805A5WR|109704-86-1|12712-70-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021477
ARPathway2016 ARPathway2016_810 Sodium tetrafluoroborate 13755-29-8 DTXSID9021477 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].F[B-](F)(F)F Sodium tetrafluoroborate 13755-29-8|Sodium tetrafluoroborate|Apreton R|Borate(1-), tetrafluoro-, sodium|Borate(1-), tetrafluoro-, sodium (1:1)|Boron sodium fluoride|EINECS 237-340-6|NATRIUM-TETRAFLUOROBORAT|Natriumtetrafluoroborat|NSC 77386|Sodium borofluoride|Sodium boron fluoride|Sodium boron tetrafluoride|Sodium fluoborate|SODIUM FLUOROBORATE|Sodium tetrafluoroborate(1-)|Tetrafluoroborate de sodium|Tetrafluoroborate(1-), sodium|tetrafluoroborato de sodio|UNII-CFC805A5WR|109704-86-1|12712-70-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021477
ARPathway2016 ARPathway2016_810 Sodium tetrafluoroborate 13755-29-8 DTXSID9021477 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].F[B-](F)(F)F Sodium tetrafluoroborate 13755-29-8|Sodium tetrafluoroborate|Apreton R|Borate(1-), tetrafluoro-, sodium|Borate(1-), tetrafluoro-, sodium (1:1)|Boron sodium fluoride|EINECS 237-340-6|NATRIUM-TETRAFLUOROBORAT|Natriumtetrafluoroborat|NSC 77386|Sodium borofluoride|Sodium boron fluoride|Sodium boron tetrafluoride|Sodium fluoborate|SODIUM FLUOROBORATE|Sodium tetrafluoroborate(1-)|Tetrafluoroborate de sodium|Tetrafluoroborate(1-), sodium|tetrafluoroborato de sodio|UNII-CFC805A5WR|109704-86-1|12712-70-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021477
ERPathway2016 ERPathway2016_1286 Sodium tetrafluoroborate 13755-29-8 DTXSID9021477 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].F[B-](F)(F)F Sodium tetrafluoroborate 13755-29-8|Sodium tetrafluoroborate|Apreton R|Borate(1-), tetrafluoro-, sodium|Borate(1-), tetrafluoro-, sodium (1:1)|Boron sodium fluoride|EINECS 237-340-6|NATRIUM-TETRAFLUOROBORAT|Natriumtetrafluoroborat|NSC 77386|Sodium borofluoride|Sodium boron fluoride|Sodium boron tetrafluoride|Sodium fluoborate|SODIUM FLUOROBORATE|Sodium tetrafluoroborate(1-)|Tetrafluoroborate de sodium|Tetrafluoroborate(1-), sodium|tetrafluoroborato de sodio|UNII-CFC805A5WR|109704-86-1|12712-70-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021477
ERPathway2016 ERPathway2016_1286 Sodium tetrafluoroborate 13755-29-8 DTXSID9021477 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].F[B-](F)(F)F Sodium tetrafluoroborate 13755-29-8|Sodium tetrafluoroborate|Apreton R|Borate(1-), tetrafluoro-, sodium|Borate(1-), tetrafluoro-, sodium (1:1)|Boron sodium fluoride|EINECS 237-340-6|NATRIUM-TETRAFLUOROBORAT|Natriumtetrafluoroborat|NSC 77386|Sodium borofluoride|Sodium boron fluoride|Sodium boron tetrafluoride|Sodium fluoborate|SODIUM FLUOROBORATE|Sodium tetrafluoroborate(1-)|Tetrafluoroborate de sodium|Tetrafluoroborate(1-), sodium|tetrafluoroborato de sodio|UNII-CFC805A5WR|109704-86-1|12712-70-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021477
ERPathway2016 ERPathway2016_1286 Sodium tetrafluoroborate 13755-29-8 DTXSID9021477 ER Pathway Model, Agonist Call Inactive Unitless [Na+].F[B-](F)(F)F Sodium tetrafluoroborate 13755-29-8|Sodium tetrafluoroborate|Apreton R|Borate(1-), tetrafluoro-, sodium|Borate(1-), tetrafluoro-, sodium (1:1)|Boron sodium fluoride|EINECS 237-340-6|NATRIUM-TETRAFLUOROBORAT|Natriumtetrafluoroborat|NSC 77386|Sodium borofluoride|Sodium boron fluoride|Sodium boron tetrafluoride|Sodium fluoborate|SODIUM FLUOROBORATE|Sodium tetrafluoroborate(1-)|Tetrafluoroborate de sodium|Tetrafluoroborate(1-), sodium|tetrafluoroborato de sodio|UNII-CFC805A5WR|109704-86-1|12712-70-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021477
ERPathway2016 ERPathway2016_1286 Sodium tetrafluoroborate 13755-29-8 DTXSID9021477 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].F[B-](F)(F)F Sodium tetrafluoroborate 13755-29-8|Sodium tetrafluoroborate|Apreton R|Borate(1-), tetrafluoro-, sodium|Borate(1-), tetrafluoro-, sodium (1:1)|Boron sodium fluoride|EINECS 237-340-6|NATRIUM-TETRAFLUOROBORAT|Natriumtetrafluoroborat|NSC 77386|Sodium borofluoride|Sodium boron fluoride|Sodium boron tetrafluoride|Sodium fluoborate|SODIUM FLUOROBORATE|Sodium tetrafluoroborate(1-)|Tetrafluoroborate de sodium|Tetrafluoroborate(1-), sodium|tetrafluoroborato de sodio|UNII-CFC805A5WR|109704-86-1|12712-70-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021477
ARPathway2016 ARPathway2016_1448 Sodium trichloroacetate 650-51-1 DTXSID6034924 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].[O-]C(=O)C(Cl)(Cl)Cl Sodium trichloroacetate 650-51-1|Sodium trichloroacetate|Acetic acid, 2,2,2-trichloro-, sodium salt (1:1)|Acetic acid, trichloro-, sodium salt|ACP grass killer|Allied Arcadian Sodium TCA|Antiperz|Antyperz|Caswell No. 797|Dow sodium TCA inhibited|EINECS 211-479-2|EPA Pesticide Chemical Code 081001|Green cross couch grass killer|Natriumtrichlooracetaat|Natriumtrichloracetat|Remazol Salt FD|Sodio(tricloroacetato di)|Sodium TCA|Sodium TCA inhibited|Sodium trichloroacetic acid|TCA sodium|TCA sodium salt|TCA-sodium|TCA, sel de sodium|Trichloressigsaures natrium|Trichloroacetic acid sodium|Trichloroacetic acid sodium salt|Trichloroacetic acid, sodium salt|Trichloroctan sodny|UNII-2N76A3BRJ0|Varitox|Weedmaster grass killer https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034924
ARPathway2016 ARPathway2016_1448 Sodium trichloroacetate 650-51-1 DTXSID6034924 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].[O-]C(=O)C(Cl)(Cl)Cl Sodium trichloroacetate 650-51-1|Sodium trichloroacetate|Acetic acid, 2,2,2-trichloro-, sodium salt (1:1)|Acetic acid, trichloro-, sodium salt|ACP grass killer|Allied Arcadian Sodium TCA|Antiperz|Antyperz|Caswell No. 797|Dow sodium TCA inhibited|EINECS 211-479-2|EPA Pesticide Chemical Code 081001|Green cross couch grass killer|Natriumtrichlooracetaat|Natriumtrichloracetat|Remazol Salt FD|Sodio(tricloroacetato di)|Sodium TCA|Sodium TCA inhibited|Sodium trichloroacetic acid|TCA sodium|TCA sodium salt|TCA-sodium|TCA, sel de sodium|Trichloressigsaures natrium|Trichloroacetic acid sodium|Trichloroacetic acid sodium salt|Trichloroacetic acid, sodium salt|Trichloroctan sodny|UNII-2N76A3BRJ0|Varitox|Weedmaster grass killer https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034924
ARPathway2016 ARPathway2016_1448 Sodium trichloroacetate 650-51-1 DTXSID6034924 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].[O-]C(=O)C(Cl)(Cl)Cl Sodium trichloroacetate 650-51-1|Sodium trichloroacetate|Acetic acid, 2,2,2-trichloro-, sodium salt (1:1)|Acetic acid, trichloro-, sodium salt|ACP grass killer|Allied Arcadian Sodium TCA|Antiperz|Antyperz|Caswell No. 797|Dow sodium TCA inhibited|EINECS 211-479-2|EPA Pesticide Chemical Code 081001|Green cross couch grass killer|Natriumtrichlooracetaat|Natriumtrichloracetat|Remazol Salt FD|Sodio(tricloroacetato di)|Sodium TCA|Sodium TCA inhibited|Sodium trichloroacetic acid|TCA sodium|TCA sodium salt|TCA-sodium|TCA, sel de sodium|Trichloressigsaures natrium|Trichloroacetic acid sodium|Trichloroacetic acid sodium salt|Trichloroacetic acid, sodium salt|Trichloroctan sodny|UNII-2N76A3BRJ0|Varitox|Weedmaster grass killer https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034924
ARPathway2016 ARPathway2016_1448 Sodium trichloroacetate 650-51-1 DTXSID6034924 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].[O-]C(=O)C(Cl)(Cl)Cl Sodium trichloroacetate 650-51-1|Sodium trichloroacetate|Acetic acid, 2,2,2-trichloro-, sodium salt (1:1)|Acetic acid, trichloro-, sodium salt|ACP grass killer|Allied Arcadian Sodium TCA|Antiperz|Antyperz|Caswell No. 797|Dow sodium TCA inhibited|EINECS 211-479-2|EPA Pesticide Chemical Code 081001|Green cross couch grass killer|Natriumtrichlooracetaat|Natriumtrichloracetat|Remazol Salt FD|Sodio(tricloroacetato di)|Sodium TCA|Sodium TCA inhibited|Sodium trichloroacetic acid|TCA sodium|TCA sodium salt|TCA-sodium|TCA, sel de sodium|Trichloressigsaures natrium|Trichloroacetic acid sodium|Trichloroacetic acid sodium salt|Trichloroacetic acid, sodium salt|Trichloroctan sodny|UNII-2N76A3BRJ0|Varitox|Weedmaster grass killer https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034924
ARPathway2016 ARPathway2016_1124 Sodium tridecyl sulfate 3026-63-9 DTXSID4042418 0.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CCCCCCCCCCCCCOS([O-])(=O)=O Sodium tridecyl sulfate 3026-63-9|Sodium tridecyl sulfate|1-Tridecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Tridecanol, hydrogen sulfate, sodium salt|EINECS 221-188-2|Tridecyl sodium sulfate|UNII-JT30S80YR4|98598-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042418
ARPathway2016 ARPathway2016_1124 Sodium tridecyl sulfate 3026-63-9 DTXSID4042418 0.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCCCCCCCCCCOS([O-])(=O)=O Sodium tridecyl sulfate 3026-63-9|Sodium tridecyl sulfate|1-Tridecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Tridecanol, hydrogen sulfate, sodium salt|EINECS 221-188-2|Tridecyl sodium sulfate|UNII-JT30S80YR4|98598-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042418
ARPathway2016 ARPathway2016_1124 Sodium tridecyl sulfate 3026-63-9 DTXSID4042418 0.0 A3 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CCCCCCCCCCCCCOS([O-])(=O)=O Sodium tridecyl sulfate 3026-63-9|Sodium tridecyl sulfate|1-Tridecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Tridecanol, hydrogen sulfate, sodium salt|EINECS 221-188-2|Tridecyl sodium sulfate|UNII-JT30S80YR4|98598-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042418
ARPathway2016 ARPathway2016_1124 Sodium tridecyl sulfate 3026-63-9 DTXSID4042418 0.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCCCCCCOS([O-])(=O)=O Sodium tridecyl sulfate 3026-63-9|Sodium tridecyl sulfate|1-Tridecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Tridecanol, hydrogen sulfate, sodium salt|EINECS 221-188-2|Tridecyl sodium sulfate|UNII-JT30S80YR4|98598-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042418
ERPathway2016 ERPathway2016_117 Sodium tridecyl sulfate 3026-63-9 DTXSID4042418 ER Pathway Model, Agonist AC50 40.9071966976886 uM [Na+].CCCCCCCCCCCCCOS([O-])(=O)=O Sodium tridecyl sulfate 3026-63-9|Sodium tridecyl sulfate|1-Tridecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Tridecanol, hydrogen sulfate, sodium salt|EINECS 221-188-2|Tridecyl sodium sulfate|UNII-JT30S80YR4|98598-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042418
ERPathway2016 ERPathway2016_117 Sodium tridecyl sulfate 3026-63-9 DTXSID4042418 ER Pathway Model, Agonist ACC 36.9790193176374 uM [Na+].CCCCCCCCCCCCCOS([O-])(=O)=O Sodium tridecyl sulfate 3026-63-9|Sodium tridecyl sulfate|1-Tridecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Tridecanol, hydrogen sulfate, sodium salt|EINECS 221-188-2|Tridecyl sodium sulfate|UNII-JT30S80YR4|98598-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042418
ERPathway2016 ERPathway2016_117 Sodium tridecyl sulfate 3026-63-9 DTXSID4042418 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CCCCCCCCCCCCCOS([O-])(=O)=O Sodium tridecyl sulfate 3026-63-9|Sodium tridecyl sulfate|1-Tridecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Tridecanol, hydrogen sulfate, sodium salt|EINECS 221-188-2|Tridecyl sodium sulfate|UNII-JT30S80YR4|98598-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042418
ERPathway2016 ERPathway2016_117 Sodium tridecyl sulfate 3026-63-9 DTXSID4042418 ER Pathway Model, Antagonist Model Score 0.0186 Unitless [Na+].CCCCCCCCCCCCCOS([O-])(=O)=O Sodium tridecyl sulfate 3026-63-9|Sodium tridecyl sulfate|1-Tridecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Tridecanol, hydrogen sulfate, sodium salt|EINECS 221-188-2|Tridecyl sodium sulfate|UNII-JT30S80YR4|98598-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042418
ERPathway2016 ERPathway2016_117 Sodium tridecyl sulfate 3026-63-9 DTXSID4042418 ER Pathway Model, Agonist Call Active Unitless [Na+].CCCCCCCCCCCCCOS([O-])(=O)=O Sodium tridecyl sulfate 3026-63-9|Sodium tridecyl sulfate|1-Tridecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Tridecanol, hydrogen sulfate, sodium salt|EINECS 221-188-2|Tridecyl sodium sulfate|UNII-JT30S80YR4|98598-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042418
ERPathway2016 ERPathway2016_117 Sodium tridecyl sulfate 3026-63-9 DTXSID4042418 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CCCCCCCCCCCCCOS([O-])(=O)=O Sodium tridecyl sulfate 3026-63-9|Sodium tridecyl sulfate|1-Tridecanol, 1-(hydrogen sulfate), sodium salt (1:1)|1-Tridecanol, hydrogen sulfate, sodium salt|EINECS 221-188-2|Tridecyl sodium sulfate|UNII-JT30S80YR4|98598-25-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4042418
ARPathway2016 ARPathway2016_784 Sodium triisopropyl naphthalene sulfonate 1323-19-9 DTXSID4044537 1.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless Sodium triisopropyl naphthalene sulfonate 1323-19-9|Sodium triisopropyl naphthalene sulfonate|EINECS 215-351-7|Sodium triisopropylnaphthalenesulfonate|Triisopropyl naphthalenesulfonic acid, sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044537
ARPathway2016 ARPathway2016_784 Sodium triisopropyl naphthalene sulfonate 1323-19-9 DTXSID4044537 1.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless Sodium triisopropyl naphthalene sulfonate 1323-19-9|Sodium triisopropyl naphthalene sulfonate|EINECS 215-351-7|Sodium triisopropylnaphthalenesulfonate|Triisopropyl naphthalenesulfonic acid, sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044537
ARPathway2016 ARPathway2016_784 Sodium triisopropyl naphthalene sulfonate 1323-19-9 DTXSID4044537 1.0 A3 AR Pathway Model, Agonist Call Inactive Unitless Sodium triisopropyl naphthalene sulfonate 1323-19-9|Sodium triisopropyl naphthalene sulfonate|EINECS 215-351-7|Sodium triisopropylnaphthalenesulfonate|Triisopropyl naphthalenesulfonic acid, sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044537
ARPathway2016 ARPathway2016_784 Sodium triisopropyl naphthalene sulfonate 1323-19-9 DTXSID4044537 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless Sodium triisopropyl naphthalene sulfonate 1323-19-9|Sodium triisopropyl naphthalene sulfonate|EINECS 215-351-7|Sodium triisopropylnaphthalenesulfonate|Triisopropyl naphthalenesulfonic acid, sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044537
ERPathway2016 ERPathway2016_802 Sodium triisopropyl naphthalene sulfonate 1323-19-9 DTXSID4044537 ER Pathway Model, Agonist Model Score 0 Unitless Sodium triisopropyl naphthalene sulfonate 1323-19-9|Sodium triisopropyl naphthalene sulfonate|EINECS 215-351-7|Sodium triisopropylnaphthalenesulfonate|Triisopropyl naphthalenesulfonic acid, sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044537
ERPathway2016 ERPathway2016_802 Sodium triisopropyl naphthalene sulfonate 1323-19-9 DTXSID4044537 ER Pathway Model, Antagonist Model Score 0 Unitless Sodium triisopropyl naphthalene sulfonate 1323-19-9|Sodium triisopropyl naphthalene sulfonate|EINECS 215-351-7|Sodium triisopropylnaphthalenesulfonate|Triisopropyl naphthalenesulfonic acid, sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044537
ERPathway2016 ERPathway2016_802 Sodium triisopropyl naphthalene sulfonate 1323-19-9 DTXSID4044537 ER Pathway Model, Agonist Call Inactive Unitless Sodium triisopropyl naphthalene sulfonate 1323-19-9|Sodium triisopropyl naphthalene sulfonate|EINECS 215-351-7|Sodium triisopropylnaphthalenesulfonate|Triisopropyl naphthalenesulfonic acid, sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044537
ERPathway2016 ERPathway2016_802 Sodium triisopropyl naphthalene sulfonate 1323-19-9 DTXSID4044537 ER Pathway Model, Antagonist Call Inactive Unitless Sodium triisopropyl naphthalene sulfonate 1323-19-9|Sodium triisopropyl naphthalene sulfonate|EINECS 215-351-7|Sodium triisopropylnaphthalenesulfonate|Triisopropyl naphthalenesulfonic acid, sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044537
ARPathway2016 ARPathway2016_765 Sodium warfarin 129-06-6 DTXSID7035010 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].CC(=O)CC(C1=CC=CC=C1)C1=C([O-])C2=CC=CC=C2OC1=O Sodium warfarin 129-06-6|Sodium warfarin|(+/-)-Warfarin sodium|2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, sodium salt|2H- 1- Benzopyran- 2- one, 4- hydroxy- 3- (3- oxo- 1- phenylbutyl) - , sodium salt (1:1)|3-(alpha-Acetonylbenzyl)-4-hydroxycoumarin sodium salt|3-(a-Acetonylbenzyl)-4-hydroxycoumarin sodium|Aldocumar|Athrombin|Caswell No. 903A|Coumadan Sodico|Coumadin|Coumadin sodium|Coumadine|Coumafene sodium|Coumarin, 3-(a-acetonylbenzyl)-4-hydroxy-, sodium salt|Dicusat|Dimantil|EINECS 204-929-4|EINECS No.: 204-929-4|EPA Pesticide Chemical Code 086003|Farin|Jantoven|Marevam|Marevan|Orfarin|Panwarfin|Prothromadin|Ratsul soluble|Simarc 2|Sodium coumadin|Sodium, ((3-(alpha-acetonylbenzyl)-2-oxo-2H-1-benzopyran-4-yl)oxy)-|Sofarin|Taro-warfarin|Tintorane|UNII-6153CWM0CL|UniWarfin|Varfine|Waran|Warcoumin|Warfant|Warfarin sodium|Warfarin sodium salt|Warfarin, sodium deriv.|Warfarin, sodium salt|Warfilone|Zoocoumarin sodium salt|12795-55-0|51821-81-9|859043-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7035010
ARPathway2016 ARPathway2016_765 Sodium warfarin 129-06-6 DTXSID7035010 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].CC(=O)CC(C1=CC=CC=C1)C1=C([O-])C2=CC=CC=C2OC1=O Sodium warfarin 129-06-6|Sodium warfarin|(+/-)-Warfarin sodium|2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, sodium salt|2H- 1- Benzopyran- 2- one, 4- hydroxy- 3- (3- oxo- 1- phenylbutyl) - , sodium salt (1:1)|3-(alpha-Acetonylbenzyl)-4-hydroxycoumarin sodium salt|3-(a-Acetonylbenzyl)-4-hydroxycoumarin sodium|Aldocumar|Athrombin|Caswell No. 903A|Coumadan Sodico|Coumadin|Coumadin sodium|Coumadine|Coumafene sodium|Coumarin, 3-(a-acetonylbenzyl)-4-hydroxy-, sodium salt|Dicusat|Dimantil|EINECS 204-929-4|EINECS No.: 204-929-4|EPA Pesticide Chemical Code 086003|Farin|Jantoven|Marevam|Marevan|Orfarin|Panwarfin|Prothromadin|Ratsul soluble|Simarc 2|Sodium coumadin|Sodium, ((3-(alpha-acetonylbenzyl)-2-oxo-2H-1-benzopyran-4-yl)oxy)-|Sofarin|Taro-warfarin|Tintorane|UNII-6153CWM0CL|UniWarfin|Varfine|Waran|Warcoumin|Warfant|Warfarin sodium|Warfarin sodium salt|Warfarin, sodium deriv.|Warfarin, sodium salt|Warfilone|Zoocoumarin sodium salt|12795-55-0|51821-81-9|859043-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7035010
ARPathway2016 ARPathway2016_765 Sodium warfarin 129-06-6 DTXSID7035010 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC(=O)CC(C1=CC=CC=C1)C1=C([O-])C2=CC=CC=C2OC1=O Sodium warfarin 129-06-6|Sodium warfarin|(+/-)-Warfarin sodium|2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, sodium salt|2H- 1- Benzopyran- 2- one, 4- hydroxy- 3- (3- oxo- 1- phenylbutyl) - , sodium salt (1:1)|3-(alpha-Acetonylbenzyl)-4-hydroxycoumarin sodium salt|3-(a-Acetonylbenzyl)-4-hydroxycoumarin sodium|Aldocumar|Athrombin|Caswell No. 903A|Coumadan Sodico|Coumadin|Coumadin sodium|Coumadine|Coumafene sodium|Coumarin, 3-(a-acetonylbenzyl)-4-hydroxy-, sodium salt|Dicusat|Dimantil|EINECS 204-929-4|EINECS No.: 204-929-4|EPA Pesticide Chemical Code 086003|Farin|Jantoven|Marevam|Marevan|Orfarin|Panwarfin|Prothromadin|Ratsul soluble|Simarc 2|Sodium coumadin|Sodium, ((3-(alpha-acetonylbenzyl)-2-oxo-2H-1-benzopyran-4-yl)oxy)-|Sofarin|Taro-warfarin|Tintorane|UNII-6153CWM0CL|UniWarfin|Varfine|Waran|Warcoumin|Warfant|Warfarin sodium|Warfarin sodium salt|Warfarin, sodium deriv.|Warfarin, sodium salt|Warfilone|Zoocoumarin sodium salt|12795-55-0|51821-81-9|859043-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7035010
ARPathway2016 ARPathway2016_765 Sodium warfarin 129-06-6 DTXSID7035010 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].CC(=O)CC(C1=CC=CC=C1)C1=C([O-])C2=CC=CC=C2OC1=O Sodium warfarin 129-06-6|Sodium warfarin|(+/-)-Warfarin sodium|2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, sodium salt|2H- 1- Benzopyran- 2- one, 4- hydroxy- 3- (3- oxo- 1- phenylbutyl) - , sodium salt (1:1)|3-(alpha-Acetonylbenzyl)-4-hydroxycoumarin sodium salt|3-(a-Acetonylbenzyl)-4-hydroxycoumarin sodium|Aldocumar|Athrombin|Caswell No. 903A|Coumadan Sodico|Coumadin|Coumadin sodium|Coumadine|Coumafene sodium|Coumarin, 3-(a-acetonylbenzyl)-4-hydroxy-, sodium salt|Dicusat|Dimantil|EINECS 204-929-4|EINECS No.: 204-929-4|EPA Pesticide Chemical Code 086003|Farin|Jantoven|Marevam|Marevan|Orfarin|Panwarfin|Prothromadin|Ratsul soluble|Simarc 2|Sodium coumadin|Sodium, ((3-(alpha-acetonylbenzyl)-2-oxo-2H-1-benzopyran-4-yl)oxy)-|Sofarin|Taro-warfarin|Tintorane|UNII-6153CWM0CL|UniWarfin|Varfine|Waran|Warcoumin|Warfant|Warfarin sodium|Warfarin sodium salt|Warfarin, sodium deriv.|Warfarin, sodium salt|Warfilone|Zoocoumarin sodium salt|12795-55-0|51821-81-9|859043-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7035010
ERPathway2016 ERPathway2016_1266 Sodium warfarin 129-06-6 DTXSID7035010 ER Pathway Model, Agonist Model Score 0 Unitless [Na+].CC(=O)CC(C1=CC=CC=C1)C1=C([O-])C2=CC=CC=C2OC1=O Sodium warfarin 129-06-6|Sodium warfarin|(+/-)-Warfarin sodium|2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, sodium salt|2H- 1- Benzopyran- 2- one, 4- hydroxy- 3- (3- oxo- 1- phenylbutyl) - , sodium salt (1:1)|3-(alpha-Acetonylbenzyl)-4-hydroxycoumarin sodium salt|3-(a-Acetonylbenzyl)-4-hydroxycoumarin sodium|Aldocumar|Athrombin|Caswell No. 903A|Coumadan Sodico|Coumadin|Coumadin sodium|Coumadine|Coumafene sodium|Coumarin, 3-(a-acetonylbenzyl)-4-hydroxy-, sodium salt|Dicusat|Dimantil|EINECS 204-929-4|EINECS No.: 204-929-4|EPA Pesticide Chemical Code 086003|Farin|Jantoven|Marevam|Marevan|Orfarin|Panwarfin|Prothromadin|Ratsul soluble|Simarc 2|Sodium coumadin|Sodium, ((3-(alpha-acetonylbenzyl)-2-oxo-2H-1-benzopyran-4-yl)oxy)-|Sofarin|Taro-warfarin|Tintorane|UNII-6153CWM0CL|UniWarfin|Varfine|Waran|Warcoumin|Warfant|Warfarin sodium|Warfarin sodium salt|Warfarin, sodium deriv.|Warfarin, sodium salt|Warfilone|Zoocoumarin sodium salt|12795-55-0|51821-81-9|859043-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7035010
ERPathway2016 ERPathway2016_1266 Sodium warfarin 129-06-6 DTXSID7035010 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].CC(=O)CC(C1=CC=CC=C1)C1=C([O-])C2=CC=CC=C2OC1=O Sodium warfarin 129-06-6|Sodium warfarin|(+/-)-Warfarin sodium|2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, sodium salt|2H- 1- Benzopyran- 2- one, 4- hydroxy- 3- (3- oxo- 1- phenylbutyl) - , sodium salt (1:1)|3-(alpha-Acetonylbenzyl)-4-hydroxycoumarin sodium salt|3-(a-Acetonylbenzyl)-4-hydroxycoumarin sodium|Aldocumar|Athrombin|Caswell No. 903A|Coumadan Sodico|Coumadin|Coumadin sodium|Coumadine|Coumafene sodium|Coumarin, 3-(a-acetonylbenzyl)-4-hydroxy-, sodium salt|Dicusat|Dimantil|EINECS 204-929-4|EINECS No.: 204-929-4|EPA Pesticide Chemical Code 086003|Farin|Jantoven|Marevam|Marevan|Orfarin|Panwarfin|Prothromadin|Ratsul soluble|Simarc 2|Sodium coumadin|Sodium, ((3-(alpha-acetonylbenzyl)-2-oxo-2H-1-benzopyran-4-yl)oxy)-|Sofarin|Taro-warfarin|Tintorane|UNII-6153CWM0CL|UniWarfin|Varfine|Waran|Warcoumin|Warfant|Warfarin sodium|Warfarin sodium salt|Warfarin, sodium deriv.|Warfarin, sodium salt|Warfilone|Zoocoumarin sodium salt|12795-55-0|51821-81-9|859043-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7035010
ERPathway2016 ERPathway2016_1266 Sodium warfarin 129-06-6 DTXSID7035010 ER Pathway Model, Agonist Call Inactive Unitless [Na+].CC(=O)CC(C1=CC=CC=C1)C1=C([O-])C2=CC=CC=C2OC1=O Sodium warfarin 129-06-6|Sodium warfarin|(+/-)-Warfarin sodium|2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, sodium salt|2H- 1- Benzopyran- 2- one, 4- hydroxy- 3- (3- oxo- 1- phenylbutyl) - , sodium salt (1:1)|3-(alpha-Acetonylbenzyl)-4-hydroxycoumarin sodium salt|3-(a-Acetonylbenzyl)-4-hydroxycoumarin sodium|Aldocumar|Athrombin|Caswell No. 903A|Coumadan Sodico|Coumadin|Coumadin sodium|Coumadine|Coumafene sodium|Coumarin, 3-(a-acetonylbenzyl)-4-hydroxy-, sodium salt|Dicusat|Dimantil|EINECS 204-929-4|EINECS No.: 204-929-4|EPA Pesticide Chemical Code 086003|Farin|Jantoven|Marevam|Marevan|Orfarin|Panwarfin|Prothromadin|Ratsul soluble|Simarc 2|Sodium coumadin|Sodium, ((3-(alpha-acetonylbenzyl)-2-oxo-2H-1-benzopyran-4-yl)oxy)-|Sofarin|Taro-warfarin|Tintorane|UNII-6153CWM0CL|UniWarfin|Varfine|Waran|Warcoumin|Warfant|Warfarin sodium|Warfarin sodium salt|Warfarin, sodium deriv.|Warfarin, sodium salt|Warfilone|Zoocoumarin sodium salt|12795-55-0|51821-81-9|859043-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7035010
ERPathway2016 ERPathway2016_1266 Sodium warfarin 129-06-6 DTXSID7035010 ER Pathway Model, Antagonist Call Inactive Unitless [Na+].CC(=O)CC(C1=CC=CC=C1)C1=C([O-])C2=CC=CC=C2OC1=O Sodium warfarin 129-06-6|Sodium warfarin|(+/-)-Warfarin sodium|2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, sodium salt|2H- 1- Benzopyran- 2- one, 4- hydroxy- 3- (3- oxo- 1- phenylbutyl) - , sodium salt (1:1)|3-(alpha-Acetonylbenzyl)-4-hydroxycoumarin sodium salt|3-(a-Acetonylbenzyl)-4-hydroxycoumarin sodium|Aldocumar|Athrombin|Caswell No. 903A|Coumadan Sodico|Coumadin|Coumadin sodium|Coumadine|Coumafene sodium|Coumarin, 3-(a-acetonylbenzyl)-4-hydroxy-, sodium salt|Dicusat|Dimantil|EINECS 204-929-4|EINECS No.: 204-929-4|EPA Pesticide Chemical Code 086003|Farin|Jantoven|Marevam|Marevan|Orfarin|Panwarfin|Prothromadin|Ratsul soluble|Simarc 2|Sodium coumadin|Sodium, ((3-(alpha-acetonylbenzyl)-2-oxo-2H-1-benzopyran-4-yl)oxy)-|Sofarin|Taro-warfarin|Tintorane|UNII-6153CWM0CL|UniWarfin|Varfine|Waran|Warcoumin|Warfant|Warfarin sodium|Warfarin sodium salt|Warfarin, sodium deriv.|Warfarin, sodium salt|Warfilone|Zoocoumarin sodium salt|12795-55-0|51821-81-9|859043-62-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7035010
ARPathway2016 ARPathway2016_769 Sodium xylenesulfonate 1300-72-7 DTXSID3026302 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C*.C*.OS(=O)(=O)C1=CC=CC=C1 |c:8,10,t:6,lp:4:2,6:2,7:2,m:1:9.10,3:10.11.12.13| Sodium xylenesulfonate 1300-72-7|Sodium xylenesulfonate|Benzenesulfonic acid, dimethyl-, sodium salt|Benzenesulfonic acid, dimethyl-, sodium salt (1:1)|Caswell No. 799A|Conco SXS|Cyclophil SXS 30|Cyclophil sxs30|Dimethylbenzenesulfonic acid sodium salt|EINECS 215-090-9|Eltesol SX 30|Eltesol SX 93|EPA Pesticide Chemical Code 079019|Hydrotrope|Kemmat SN 18|Natriumxylolsulfonat|Naxonate|Naxonate 4L|Naxonate G|Naxonate SX|NCI-C55403|Richonate SXS|Sodium dimethylbenzenesulfonate|Sodium xylene sulfonate|sodium xylenesulphonate|Stepanate SXS|Stepanate X|Surco SXS|Ultrawet 40SX|UNII-G4LZF950UR|Witconate SXS|xilensulfonato de sodio|Xylenesulfonate de sodium|XYLENESULFONATE, SODIUM|Xylenesulfonic acid, sodium salt|39340-93-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026302 https://doi.org/10.22427/NTP-DATA-DTXSID3026302
ARPathway2016 ARPathway2016_769 Sodium xylenesulfonate 1300-72-7 DTXSID3026302 0.0 AR Pathway Model, Agonist Call Inactive Unitless C*.C*.OS(=O)(=O)C1=CC=CC=C1 |c:8,10,t:6,lp:4:2,6:2,7:2,m:1:9.10,3:10.11.12.13| Sodium xylenesulfonate 1300-72-7|Sodium xylenesulfonate|Benzenesulfonic acid, dimethyl-, sodium salt|Benzenesulfonic acid, dimethyl-, sodium salt (1:1)|Caswell No. 799A|Conco SXS|Cyclophil SXS 30|Cyclophil sxs30|Dimethylbenzenesulfonic acid sodium salt|EINECS 215-090-9|Eltesol SX 30|Eltesol SX 93|EPA Pesticide Chemical Code 079019|Hydrotrope|Kemmat SN 18|Natriumxylolsulfonat|Naxonate|Naxonate 4L|Naxonate G|Naxonate SX|NCI-C55403|Richonate SXS|Sodium dimethylbenzenesulfonate|Sodium xylene sulfonate|sodium xylenesulphonate|Stepanate SXS|Stepanate X|Surco SXS|Ultrawet 40SX|UNII-G4LZF950UR|Witconate SXS|xilensulfonato de sodio|Xylenesulfonate de sodium|XYLENESULFONATE, SODIUM|Xylenesulfonic acid, sodium salt|39340-93-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026302 https://doi.org/10.22427/NTP-DATA-DTXSID3026302
ARPathway2016 ARPathway2016_769 Sodium xylenesulfonate 1300-72-7 DTXSID3026302 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C*.C*.OS(=O)(=O)C1=CC=CC=C1 |c:8,10,t:6,lp:4:2,6:2,7:2,m:1:9.10,3:10.11.12.13| Sodium xylenesulfonate 1300-72-7|Sodium xylenesulfonate|Benzenesulfonic acid, dimethyl-, sodium salt|Benzenesulfonic acid, dimethyl-, sodium salt (1:1)|Caswell No. 799A|Conco SXS|Cyclophil SXS 30|Cyclophil sxs30|Dimethylbenzenesulfonic acid sodium salt|EINECS 215-090-9|Eltesol SX 30|Eltesol SX 93|EPA Pesticide Chemical Code 079019|Hydrotrope|Kemmat SN 18|Natriumxylolsulfonat|Naxonate|Naxonate 4L|Naxonate G|Naxonate SX|NCI-C55403|Richonate SXS|Sodium dimethylbenzenesulfonate|Sodium xylene sulfonate|sodium xylenesulphonate|Stepanate SXS|Stepanate X|Surco SXS|Ultrawet 40SX|UNII-G4LZF950UR|Witconate SXS|xilensulfonato de sodio|Xylenesulfonate de sodium|XYLENESULFONATE, SODIUM|Xylenesulfonic acid, sodium salt|39340-93-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026302 https://doi.org/10.22427/NTP-DATA-DTXSID3026302
ARPathway2016 ARPathway2016_769 Sodium xylenesulfonate 1300-72-7 DTXSID3026302 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C*.C*.OS(=O)(=O)C1=CC=CC=C1 |c:8,10,t:6,lp:4:2,6:2,7:2,m:1:9.10,3:10.11.12.13| Sodium xylenesulfonate 1300-72-7|Sodium xylenesulfonate|Benzenesulfonic acid, dimethyl-, sodium salt|Benzenesulfonic acid, dimethyl-, sodium salt (1:1)|Caswell No. 799A|Conco SXS|Cyclophil SXS 30|Cyclophil sxs30|Dimethylbenzenesulfonic acid sodium salt|EINECS 215-090-9|Eltesol SX 30|Eltesol SX 93|EPA Pesticide Chemical Code 079019|Hydrotrope|Kemmat SN 18|Natriumxylolsulfonat|Naxonate|Naxonate 4L|Naxonate G|Naxonate SX|NCI-C55403|Richonate SXS|Sodium dimethylbenzenesulfonate|Sodium xylene sulfonate|sodium xylenesulphonate|Stepanate SXS|Stepanate X|Surco SXS|Ultrawet 40SX|UNII-G4LZF950UR|Witconate SXS|xilensulfonato de sodio|Xylenesulfonate de sodium|XYLENESULFONATE, SODIUM|Xylenesulfonic acid, sodium salt|39340-93-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026302 https://doi.org/10.22427/NTP-DATA-DTXSID3026302
ERPathway2016 ERPathway2016_1268 Sodium xylenesulfonate 1300-72-7 DTXSID3026302 ER Pathway Model, Agonist Model Score 0 Unitless C*.C*.OS(=O)(=O)C1=CC=CC=C1 |c:8,10,t:6,lp:4:2,6:2,7:2,m:1:9.10,3:10.11.12.13| Sodium xylenesulfonate 1300-72-7|Sodium xylenesulfonate|Benzenesulfonic acid, dimethyl-, sodium salt|Benzenesulfonic acid, dimethyl-, sodium salt (1:1)|Caswell No. 799A|Conco SXS|Cyclophil SXS 30|Cyclophil sxs30|Dimethylbenzenesulfonic acid sodium salt|EINECS 215-090-9|Eltesol SX 30|Eltesol SX 93|EPA Pesticide Chemical Code 079019|Hydrotrope|Kemmat SN 18|Natriumxylolsulfonat|Naxonate|Naxonate 4L|Naxonate G|Naxonate SX|NCI-C55403|Richonate SXS|Sodium dimethylbenzenesulfonate|Sodium xylene sulfonate|sodium xylenesulphonate|Stepanate SXS|Stepanate X|Surco SXS|Ultrawet 40SX|UNII-G4LZF950UR|Witconate SXS|xilensulfonato de sodio|Xylenesulfonate de sodium|XYLENESULFONATE, SODIUM|Xylenesulfonic acid, sodium salt|39340-93-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026302 https://doi.org/10.22427/NTP-DATA-DTXSID3026302
ERPathway2016 ERPathway2016_1268 Sodium xylenesulfonate 1300-72-7 DTXSID3026302 ER Pathway Model, Antagonist Model Score 0 Unitless C*.C*.OS(=O)(=O)C1=CC=CC=C1 |c:8,10,t:6,lp:4:2,6:2,7:2,m:1:9.10,3:10.11.12.13| Sodium xylenesulfonate 1300-72-7|Sodium xylenesulfonate|Benzenesulfonic acid, dimethyl-, sodium salt|Benzenesulfonic acid, dimethyl-, sodium salt (1:1)|Caswell No. 799A|Conco SXS|Cyclophil SXS 30|Cyclophil sxs30|Dimethylbenzenesulfonic acid sodium salt|EINECS 215-090-9|Eltesol SX 30|Eltesol SX 93|EPA Pesticide Chemical Code 079019|Hydrotrope|Kemmat SN 18|Natriumxylolsulfonat|Naxonate|Naxonate 4L|Naxonate G|Naxonate SX|NCI-C55403|Richonate SXS|Sodium dimethylbenzenesulfonate|Sodium xylene sulfonate|sodium xylenesulphonate|Stepanate SXS|Stepanate X|Surco SXS|Ultrawet 40SX|UNII-G4LZF950UR|Witconate SXS|xilensulfonato de sodio|Xylenesulfonate de sodium|XYLENESULFONATE, SODIUM|Xylenesulfonic acid, sodium salt|39340-93-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026302 https://doi.org/10.22427/NTP-DATA-DTXSID3026302
ERPathway2016 ERPathway2016_1268 Sodium xylenesulfonate 1300-72-7 DTXSID3026302 ER Pathway Model, Agonist Call Inactive Unitless C*.C*.OS(=O)(=O)C1=CC=CC=C1 |c:8,10,t:6,lp:4:2,6:2,7:2,m:1:9.10,3:10.11.12.13| Sodium xylenesulfonate 1300-72-7|Sodium xylenesulfonate|Benzenesulfonic acid, dimethyl-, sodium salt|Benzenesulfonic acid, dimethyl-, sodium salt (1:1)|Caswell No. 799A|Conco SXS|Cyclophil SXS 30|Cyclophil sxs30|Dimethylbenzenesulfonic acid sodium salt|EINECS 215-090-9|Eltesol SX 30|Eltesol SX 93|EPA Pesticide Chemical Code 079019|Hydrotrope|Kemmat SN 18|Natriumxylolsulfonat|Naxonate|Naxonate 4L|Naxonate G|Naxonate SX|NCI-C55403|Richonate SXS|Sodium dimethylbenzenesulfonate|Sodium xylene sulfonate|sodium xylenesulphonate|Stepanate SXS|Stepanate X|Surco SXS|Ultrawet 40SX|UNII-G4LZF950UR|Witconate SXS|xilensulfonato de sodio|Xylenesulfonate de sodium|XYLENESULFONATE, SODIUM|Xylenesulfonic acid, sodium salt|39340-93-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026302 https://doi.org/10.22427/NTP-DATA-DTXSID3026302
ERPathway2016 ERPathway2016_1268 Sodium xylenesulfonate 1300-72-7 DTXSID3026302 ER Pathway Model, Antagonist Call Inactive Unitless C*.C*.OS(=O)(=O)C1=CC=CC=C1 |c:8,10,t:6,lp:4:2,6:2,7:2,m:1:9.10,3:10.11.12.13| Sodium xylenesulfonate 1300-72-7|Sodium xylenesulfonate|Benzenesulfonic acid, dimethyl-, sodium salt|Benzenesulfonic acid, dimethyl-, sodium salt (1:1)|Caswell No. 799A|Conco SXS|Cyclophil SXS 30|Cyclophil sxs30|Dimethylbenzenesulfonic acid sodium salt|EINECS 215-090-9|Eltesol SX 30|Eltesol SX 93|EPA Pesticide Chemical Code 079019|Hydrotrope|Kemmat SN 18|Natriumxylolsulfonat|Naxonate|Naxonate 4L|Naxonate G|Naxonate SX|NCI-C55403|Richonate SXS|Sodium dimethylbenzenesulfonate|Sodium xylene sulfonate|sodium xylenesulphonate|Stepanate SXS|Stepanate X|Surco SXS|Ultrawet 40SX|UNII-G4LZF950UR|Witconate SXS|xilensulfonato de sodio|Xylenesulfonate de sodium|XYLENESULFONATE, SODIUM|Xylenesulfonic acid, sodium salt|39340-93-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026302 https://doi.org/10.22427/NTP-DATA-DTXSID3026302
ARPathway2016 ARPathway2016_793 Sorbitan, mono-(9Z)-9-octadecenoate 1338-43-8 DTXSID6027397 1.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O Sorbitan, mono-(9Z)-9-octadecenoate 1338-43-8|Sorbitan, mono-(9Z)-9-octadecenoate|(Z)-Sorbitan mono-9-octadecenoate|Alkamuls SMO|Armotan MO|Atlas G 946|Dehymuls SMO|Disponil 100|EINECS 215-665-4|Emasol O 10|Emasol O 10F|Emasol O 10V|Emsorb 2500|Glycomul O|Kemmat S 80|Kosteran O 1|Liposorb 80|Lonzest SMO|Monodehydrosorbitol monooleate|Monopol SP 1|Montane 80 VGA|Montane 80VGPha|Nikkol SO 10|Nikkol SO 10T|Nikkol SO 10V|Nikkol SO-15|Nissan Nonion OP 80|Nissan Nonion OP 80R|Nofable SO 851S|Nonion OP 80|Nonion OP 80R|Nonion OP80R|Oleate de sorbitan|oleato de sorbitano|Radiasurf 7155|Rheodol AO 10|Rheodol SP-O 10|Rheodol SP-O 10V|Rikemal O 250|Sorbester P 17|Sorbitan monooleale|Sorbitan monooleate|Sorbitan monooleic acid ester|Sorbitan O|sorbitan oleate|Sorbitan, mono-9-octadecanoate|Sorbitan, mono-9-octadecenoate, (Z)-|SORBITAN, MONO-OLEATE|SORBITAN, MONOOLEATE|SORBITAN, MONOOLEIC ACID ESTER|Sorbitani oleas|SORBITANMONOOLEAT|Sorbitanoleat|Sorbon S 80|Sylvan S 80|UNII-06XEA2VD56|1178544-19-8|122303-50-8|157090-90-9|182372-02-7|2060-34-6|258823-36-8|30233-52-4|321711-41-5|39289-74-2|473272-66-1|54693-53-7|57273-95-7|58391-71-2|62340-88-9|73202-24-1|76011-51-3|9015-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027397
ARPathway2016 ARPathway2016_793 Sorbitan, mono-(9Z)-9-octadecenoate 1338-43-8 DTXSID6027397 1.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O Sorbitan, mono-(9Z)-9-octadecenoate 1338-43-8|Sorbitan, mono-(9Z)-9-octadecenoate|(Z)-Sorbitan mono-9-octadecenoate|Alkamuls SMO|Armotan MO|Atlas G 946|Dehymuls SMO|Disponil 100|EINECS 215-665-4|Emasol O 10|Emasol O 10F|Emasol O 10V|Emsorb 2500|Glycomul O|Kemmat S 80|Kosteran O 1|Liposorb 80|Lonzest SMO|Monodehydrosorbitol monooleate|Monopol SP 1|Montane 80 VGA|Montane 80VGPha|Nikkol SO 10|Nikkol SO 10T|Nikkol SO 10V|Nikkol SO-15|Nissan Nonion OP 80|Nissan Nonion OP 80R|Nofable SO 851S|Nonion OP 80|Nonion OP 80R|Nonion OP80R|Oleate de sorbitan|oleato de sorbitano|Radiasurf 7155|Rheodol AO 10|Rheodol SP-O 10|Rheodol SP-O 10V|Rikemal O 250|Sorbester P 17|Sorbitan monooleale|Sorbitan monooleate|Sorbitan monooleic acid ester|Sorbitan O|sorbitan oleate|Sorbitan, mono-9-octadecanoate|Sorbitan, mono-9-octadecenoate, (Z)-|SORBITAN, MONO-OLEATE|SORBITAN, MONOOLEATE|SORBITAN, MONOOLEIC ACID ESTER|Sorbitani oleas|SORBITANMONOOLEAT|Sorbitanoleat|Sorbon S 80|Sylvan S 80|UNII-06XEA2VD56|1178544-19-8|122303-50-8|157090-90-9|182372-02-7|2060-34-6|258823-36-8|30233-52-4|321711-41-5|39289-74-2|473272-66-1|54693-53-7|57273-95-7|58391-71-2|62340-88-9|73202-24-1|76011-51-3|9015-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027397
ARPathway2016 ARPathway2016_793 Sorbitan, mono-(9Z)-9-octadecenoate 1338-43-8 DTXSID6027397 1.0 A3 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O Sorbitan, mono-(9Z)-9-octadecenoate 1338-43-8|Sorbitan, mono-(9Z)-9-octadecenoate|(Z)-Sorbitan mono-9-octadecenoate|Alkamuls SMO|Armotan MO|Atlas G 946|Dehymuls SMO|Disponil 100|EINECS 215-665-4|Emasol O 10|Emasol O 10F|Emasol O 10V|Emsorb 2500|Glycomul O|Kemmat S 80|Kosteran O 1|Liposorb 80|Lonzest SMO|Monodehydrosorbitol monooleate|Monopol SP 1|Montane 80 VGA|Montane 80VGPha|Nikkol SO 10|Nikkol SO 10T|Nikkol SO 10V|Nikkol SO-15|Nissan Nonion OP 80|Nissan Nonion OP 80R|Nofable SO 851S|Nonion OP 80|Nonion OP 80R|Nonion OP80R|Oleate de sorbitan|oleato de sorbitano|Radiasurf 7155|Rheodol AO 10|Rheodol SP-O 10|Rheodol SP-O 10V|Rikemal O 250|Sorbester P 17|Sorbitan monooleale|Sorbitan monooleate|Sorbitan monooleic acid ester|Sorbitan O|sorbitan oleate|Sorbitan, mono-9-octadecanoate|Sorbitan, mono-9-octadecenoate, (Z)-|SORBITAN, MONO-OLEATE|SORBITAN, MONOOLEATE|SORBITAN, MONOOLEIC ACID ESTER|Sorbitani oleas|SORBITANMONOOLEAT|Sorbitanoleat|Sorbon S 80|Sylvan S 80|UNII-06XEA2VD56|1178544-19-8|122303-50-8|157090-90-9|182372-02-7|2060-34-6|258823-36-8|30233-52-4|321711-41-5|39289-74-2|473272-66-1|54693-53-7|57273-95-7|58391-71-2|62340-88-9|73202-24-1|76011-51-3|9015-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027397
ARPathway2016 ARPathway2016_793 Sorbitan, mono-(9Z)-9-octadecenoate 1338-43-8 DTXSID6027397 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O Sorbitan, mono-(9Z)-9-octadecenoate 1338-43-8|Sorbitan, mono-(9Z)-9-octadecenoate|(Z)-Sorbitan mono-9-octadecenoate|Alkamuls SMO|Armotan MO|Atlas G 946|Dehymuls SMO|Disponil 100|EINECS 215-665-4|Emasol O 10|Emasol O 10F|Emasol O 10V|Emsorb 2500|Glycomul O|Kemmat S 80|Kosteran O 1|Liposorb 80|Lonzest SMO|Monodehydrosorbitol monooleate|Monopol SP 1|Montane 80 VGA|Montane 80VGPha|Nikkol SO 10|Nikkol SO 10T|Nikkol SO 10V|Nikkol SO-15|Nissan Nonion OP 80|Nissan Nonion OP 80R|Nofable SO 851S|Nonion OP 80|Nonion OP 80R|Nonion OP80R|Oleate de sorbitan|oleato de sorbitano|Radiasurf 7155|Rheodol AO 10|Rheodol SP-O 10|Rheodol SP-O 10V|Rikemal O 250|Sorbester P 17|Sorbitan monooleale|Sorbitan monooleate|Sorbitan monooleic acid ester|Sorbitan O|sorbitan oleate|Sorbitan, mono-9-octadecanoate|Sorbitan, mono-9-octadecenoate, (Z)-|SORBITAN, MONO-OLEATE|SORBITAN, MONOOLEATE|SORBITAN, MONOOLEIC ACID ESTER|Sorbitani oleas|SORBITANMONOOLEAT|Sorbitanoleat|Sorbon S 80|Sylvan S 80|UNII-06XEA2VD56|1178544-19-8|122303-50-8|157090-90-9|182372-02-7|2060-34-6|258823-36-8|30233-52-4|321711-41-5|39289-74-2|473272-66-1|54693-53-7|57273-95-7|58391-71-2|62340-88-9|73202-24-1|76011-51-3|9015-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027397
ERPathway2016 ERPathway2016_1276 Sorbitan, mono-(9Z)-9-octadecenoate 1338-43-8 DTXSID6027397 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O Sorbitan, mono-(9Z)-9-octadecenoate 1338-43-8|Sorbitan, mono-(9Z)-9-octadecenoate|(Z)-Sorbitan mono-9-octadecenoate|Alkamuls SMO|Armotan MO|Atlas G 946|Dehymuls SMO|Disponil 100|EINECS 215-665-4|Emasol O 10|Emasol O 10F|Emasol O 10V|Emsorb 2500|Glycomul O|Kemmat S 80|Kosteran O 1|Liposorb 80|Lonzest SMO|Monodehydrosorbitol monooleate|Monopol SP 1|Montane 80 VGA|Montane 80VGPha|Nikkol SO 10|Nikkol SO 10T|Nikkol SO 10V|Nikkol SO-15|Nissan Nonion OP 80|Nissan Nonion OP 80R|Nofable SO 851S|Nonion OP 80|Nonion OP 80R|Nonion OP80R|Oleate de sorbitan|oleato de sorbitano|Radiasurf 7155|Rheodol AO 10|Rheodol SP-O 10|Rheodol SP-O 10V|Rikemal O 250|Sorbester P 17|Sorbitan monooleale|Sorbitan monooleate|Sorbitan monooleic acid ester|Sorbitan O|sorbitan oleate|Sorbitan, mono-9-octadecanoate|Sorbitan, mono-9-octadecenoate, (Z)-|SORBITAN, MONO-OLEATE|SORBITAN, MONOOLEATE|SORBITAN, MONOOLEIC ACID ESTER|Sorbitani oleas|SORBITANMONOOLEAT|Sorbitanoleat|Sorbon S 80|Sylvan S 80|UNII-06XEA2VD56|1178544-19-8|122303-50-8|157090-90-9|182372-02-7|2060-34-6|258823-36-8|30233-52-4|321711-41-5|39289-74-2|473272-66-1|54693-53-7|57273-95-7|58391-71-2|62340-88-9|73202-24-1|76011-51-3|9015-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027397
ERPathway2016 ERPathway2016_1276 Sorbitan, mono-(9Z)-9-octadecenoate 1338-43-8 DTXSID6027397 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O Sorbitan, mono-(9Z)-9-octadecenoate 1338-43-8|Sorbitan, mono-(9Z)-9-octadecenoate|(Z)-Sorbitan mono-9-octadecenoate|Alkamuls SMO|Armotan MO|Atlas G 946|Dehymuls SMO|Disponil 100|EINECS 215-665-4|Emasol O 10|Emasol O 10F|Emasol O 10V|Emsorb 2500|Glycomul O|Kemmat S 80|Kosteran O 1|Liposorb 80|Lonzest SMO|Monodehydrosorbitol monooleate|Monopol SP 1|Montane 80 VGA|Montane 80VGPha|Nikkol SO 10|Nikkol SO 10T|Nikkol SO 10V|Nikkol SO-15|Nissan Nonion OP 80|Nissan Nonion OP 80R|Nofable SO 851S|Nonion OP 80|Nonion OP 80R|Nonion OP80R|Oleate de sorbitan|oleato de sorbitano|Radiasurf 7155|Rheodol AO 10|Rheodol SP-O 10|Rheodol SP-O 10V|Rikemal O 250|Sorbester P 17|Sorbitan monooleale|Sorbitan monooleate|Sorbitan monooleic acid ester|Sorbitan O|sorbitan oleate|Sorbitan, mono-9-octadecanoate|Sorbitan, mono-9-octadecenoate, (Z)-|SORBITAN, MONO-OLEATE|SORBITAN, MONOOLEATE|SORBITAN, MONOOLEIC ACID ESTER|Sorbitani oleas|SORBITANMONOOLEAT|Sorbitanoleat|Sorbon S 80|Sylvan S 80|UNII-06XEA2VD56|1178544-19-8|122303-50-8|157090-90-9|182372-02-7|2060-34-6|258823-36-8|30233-52-4|321711-41-5|39289-74-2|473272-66-1|54693-53-7|57273-95-7|58391-71-2|62340-88-9|73202-24-1|76011-51-3|9015-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027397
ERPathway2016 ERPathway2016_1276 Sorbitan, mono-(9Z)-9-octadecenoate 1338-43-8 DTXSID6027397 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O Sorbitan, mono-(9Z)-9-octadecenoate 1338-43-8|Sorbitan, mono-(9Z)-9-octadecenoate|(Z)-Sorbitan mono-9-octadecenoate|Alkamuls SMO|Armotan MO|Atlas G 946|Dehymuls SMO|Disponil 100|EINECS 215-665-4|Emasol O 10|Emasol O 10F|Emasol O 10V|Emsorb 2500|Glycomul O|Kemmat S 80|Kosteran O 1|Liposorb 80|Lonzest SMO|Monodehydrosorbitol monooleate|Monopol SP 1|Montane 80 VGA|Montane 80VGPha|Nikkol SO 10|Nikkol SO 10T|Nikkol SO 10V|Nikkol SO-15|Nissan Nonion OP 80|Nissan Nonion OP 80R|Nofable SO 851S|Nonion OP 80|Nonion OP 80R|Nonion OP80R|Oleate de sorbitan|oleato de sorbitano|Radiasurf 7155|Rheodol AO 10|Rheodol SP-O 10|Rheodol SP-O 10V|Rikemal O 250|Sorbester P 17|Sorbitan monooleale|Sorbitan monooleate|Sorbitan monooleic acid ester|Sorbitan O|sorbitan oleate|Sorbitan, mono-9-octadecanoate|Sorbitan, mono-9-octadecenoate, (Z)-|SORBITAN, MONO-OLEATE|SORBITAN, MONOOLEATE|SORBITAN, MONOOLEIC ACID ESTER|Sorbitani oleas|SORBITANMONOOLEAT|Sorbitanoleat|Sorbon S 80|Sylvan S 80|UNII-06XEA2VD56|1178544-19-8|122303-50-8|157090-90-9|182372-02-7|2060-34-6|258823-36-8|30233-52-4|321711-41-5|39289-74-2|473272-66-1|54693-53-7|57273-95-7|58391-71-2|62340-88-9|73202-24-1|76011-51-3|9015-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027397
ERPathway2016 ERPathway2016_1276 Sorbitan, mono-(9Z)-9-octadecenoate 1338-43-8 DTXSID6027397 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O Sorbitan, mono-(9Z)-9-octadecenoate 1338-43-8|Sorbitan, mono-(9Z)-9-octadecenoate|(Z)-Sorbitan mono-9-octadecenoate|Alkamuls SMO|Armotan MO|Atlas G 946|Dehymuls SMO|Disponil 100|EINECS 215-665-4|Emasol O 10|Emasol O 10F|Emasol O 10V|Emsorb 2500|Glycomul O|Kemmat S 80|Kosteran O 1|Liposorb 80|Lonzest SMO|Monodehydrosorbitol monooleate|Monopol SP 1|Montane 80 VGA|Montane 80VGPha|Nikkol SO 10|Nikkol SO 10T|Nikkol SO 10V|Nikkol SO-15|Nissan Nonion OP 80|Nissan Nonion OP 80R|Nofable SO 851S|Nonion OP 80|Nonion OP 80R|Nonion OP80R|Oleate de sorbitan|oleato de sorbitano|Radiasurf 7155|Rheodol AO 10|Rheodol SP-O 10|Rheodol SP-O 10V|Rikemal O 250|Sorbester P 17|Sorbitan monooleale|Sorbitan monooleate|Sorbitan monooleic acid ester|Sorbitan O|sorbitan oleate|Sorbitan, mono-9-octadecanoate|Sorbitan, mono-9-octadecenoate, (Z)-|SORBITAN, MONO-OLEATE|SORBITAN, MONOOLEATE|SORBITAN, MONOOLEIC ACID ESTER|Sorbitani oleas|SORBITANMONOOLEAT|Sorbitanoleat|Sorbon S 80|Sylvan S 80|UNII-06XEA2VD56|1178544-19-8|122303-50-8|157090-90-9|182372-02-7|2060-34-6|258823-36-8|30233-52-4|321711-41-5|39289-74-2|473272-66-1|54693-53-7|57273-95-7|58391-71-2|62340-88-9|73202-24-1|76011-51-3|9015-08-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027397
ARPathway2016 ARPathway2016_870 Spirodiclofen 148477-71-8 DTXSID6034928 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(C)(C)C(=O)OC1=C(C(=O)OC11CCCCC1)C1=CC=C(Cl)C=C1Cl Spirodiclofen 148477-71-8|Spirodiclofen|1-Oxaspiro[4.5]decane, butanoic acid deriv.|3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate|BAJ 2740|Butanoic acid, 2, 2- dimethyl- , 3- (2, 4- dichlorophenyl) - 2- oxo- 1- oxaspiro[4.5] dec- 3- en- 4- yl ester|EC No.: 604-636-5|Envidor|Luomanshuangzhi|UNII-3X7G31F5MX https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034928
ARPathway2016 ARPathway2016_870 Spirodiclofen 148477-71-8 DTXSID6034928 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CCC(C)(C)C(=O)OC1=C(C(=O)OC11CCCCC1)C1=CC=C(Cl)C=C1Cl Spirodiclofen 148477-71-8|Spirodiclofen|1-Oxaspiro[4.5]decane, butanoic acid deriv.|3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate|BAJ 2740|Butanoic acid, 2, 2- dimethyl- , 3- (2, 4- dichlorophenyl) - 2- oxo- 1- oxaspiro[4.5] dec- 3- en- 4- yl ester|EC No.: 604-636-5|Envidor|Luomanshuangzhi|UNII-3X7G31F5MX https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034928
ARPathway2016 ARPathway2016_870 Spirodiclofen 148477-71-8 DTXSID6034928 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CCC(C)(C)C(=O)OC1=C(C(=O)OC11CCCCC1)C1=CC=C(Cl)C=C1Cl Spirodiclofen 148477-71-8|Spirodiclofen|1-Oxaspiro[4.5]decane, butanoic acid deriv.|3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate|BAJ 2740|Butanoic acid, 2, 2- dimethyl- , 3- (2, 4- dichlorophenyl) - 2- oxo- 1- oxaspiro[4.5] dec- 3- en- 4- yl ester|EC No.: 604-636-5|Envidor|Luomanshuangzhi|UNII-3X7G31F5MX https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034928
ARPathway2016 ARPathway2016_870 Spirodiclofen 148477-71-8 DTXSID6034928 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CCC(C)(C)C(=O)OC1=C(C(=O)OC11CCCCC1)C1=CC=C(Cl)C=C1Cl Spirodiclofen 148477-71-8|Spirodiclofen|1-Oxaspiro[4.5]decane, butanoic acid deriv.|3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate|BAJ 2740|Butanoic acid, 2, 2- dimethyl- , 3- (2, 4- dichlorophenyl) - 2- oxo- 1- oxaspiro[4.5] dec- 3- en- 4- yl ester|EC No.: 604-636-5|Envidor|Luomanshuangzhi|UNII-3X7G31F5MX https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034928
ERPathway2016 ERPathway2016_885 Spirodiclofen 148477-71-8 DTXSID6034928 ER Pathway Model, Agonist Model Score 0 Unitless CCC(C)(C)C(=O)OC1=C(C(=O)OC11CCCCC1)C1=CC=C(Cl)C=C1Cl Spirodiclofen 148477-71-8|Spirodiclofen|1-Oxaspiro[4.5]decane, butanoic acid deriv.|3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate|BAJ 2740|Butanoic acid, 2, 2- dimethyl- , 3- (2, 4- dichlorophenyl) - 2- oxo- 1- oxaspiro[4.5] dec- 3- en- 4- yl ester|EC No.: 604-636-5|Envidor|Luomanshuangzhi|UNII-3X7G31F5MX https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034928
ERPathway2016 ERPathway2016_885 Spirodiclofen 148477-71-8 DTXSID6034928 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(C)(C)C(=O)OC1=C(C(=O)OC11CCCCC1)C1=CC=C(Cl)C=C1Cl Spirodiclofen 148477-71-8|Spirodiclofen|1-Oxaspiro[4.5]decane, butanoic acid deriv.|3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate|BAJ 2740|Butanoic acid, 2, 2- dimethyl- , 3- (2, 4- dichlorophenyl) - 2- oxo- 1- oxaspiro[4.5] dec- 3- en- 4- yl ester|EC No.: 604-636-5|Envidor|Luomanshuangzhi|UNII-3X7G31F5MX https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034928
ERPathway2016 ERPathway2016_885 Spirodiclofen 148477-71-8 DTXSID6034928 ER Pathway Model, Agonist Call Inactive Unitless CCC(C)(C)C(=O)OC1=C(C(=O)OC11CCCCC1)C1=CC=C(Cl)C=C1Cl Spirodiclofen 148477-71-8|Spirodiclofen|1-Oxaspiro[4.5]decane, butanoic acid deriv.|3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate|BAJ 2740|Butanoic acid, 2, 2- dimethyl- , 3- (2, 4- dichlorophenyl) - 2- oxo- 1- oxaspiro[4.5] dec- 3- en- 4- yl ester|EC No.: 604-636-5|Envidor|Luomanshuangzhi|UNII-3X7G31F5MX https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034928
ERPathway2016 ERPathway2016_885 Spirodiclofen 148477-71-8 DTXSID6034928 ER Pathway Model, Antagonist Call Inactive Unitless CCC(C)(C)C(=O)OC1=C(C(=O)OC11CCCCC1)C1=CC=C(Cl)C=C1Cl Spirodiclofen 148477-71-8|Spirodiclofen|1-Oxaspiro[4.5]decane, butanoic acid deriv.|3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate|BAJ 2740|Butanoic acid, 2, 2- dimethyl- , 3- (2, 4- dichlorophenyl) - 2- oxo- 1- oxaspiro[4.5] dec- 3- en- 4- yl ester|EC No.: 604-636-5|Envidor|Luomanshuangzhi|UNII-3X7G31F5MX https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034928
ARPathway2016 ARPathway2016_1100 Spiromesifen 283594-90-1 DTXSID1034929 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=C(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)C(C)=C1 Spiromesifen 283594-90-1|Spiromesifen|3-mesityl-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate|BSN 2060|Butanoic acid, 3,3-dimethyl- 2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl ester|Forbid|Oberon|UNII-N726NTQ5ZC https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034929
ARPathway2016 ARPathway2016_1100 Spiromesifen 283594-90-1 DTXSID1034929 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=C(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)C(C)=C1 Spiromesifen 283594-90-1|Spiromesifen|3-mesityl-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate|BSN 2060|Butanoic acid, 3,3-dimethyl- 2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl ester|Forbid|Oberon|UNII-N726NTQ5ZC https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034929
ARPathway2016 ARPathway2016_1100 Spiromesifen 283594-90-1 DTXSID1034929 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=C(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)C(C)=C1 Spiromesifen 283594-90-1|Spiromesifen|3-mesityl-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate|BSN 2060|Butanoic acid, 3,3-dimethyl- 2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl ester|Forbid|Oberon|UNII-N726NTQ5ZC https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034929
ARPathway2016 ARPathway2016_1100 Spiromesifen 283594-90-1 DTXSID1034929 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=C(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)C(C)=C1 Spiromesifen 283594-90-1|Spiromesifen|3-mesityl-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate|BSN 2060|Butanoic acid, 3,3-dimethyl- 2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl ester|Forbid|Oberon|UNII-N726NTQ5ZC https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034929
ERPathway2016 ERPathway2016_838 Spiromesifen 283594-90-1 DTXSID1034929 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC(C)=C(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)C(C)=C1 Spiromesifen 283594-90-1|Spiromesifen|3-mesityl-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate|BSN 2060|Butanoic acid, 3,3-dimethyl- 2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl ester|Forbid|Oberon|UNII-N726NTQ5ZC https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034929
ERPathway2016 ERPathway2016_838 Spiromesifen 283594-90-1 DTXSID1034929 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC(C)=C(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)C(C)=C1 Spiromesifen 283594-90-1|Spiromesifen|3-mesityl-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate|BSN 2060|Butanoic acid, 3,3-dimethyl- 2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl ester|Forbid|Oberon|UNII-N726NTQ5ZC https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034929
ERPathway2016 ERPathway2016_838 Spiromesifen 283594-90-1 DTXSID1034929 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC(C)=C(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)C(C)=C1 Spiromesifen 283594-90-1|Spiromesifen|3-mesityl-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate|BSN 2060|Butanoic acid, 3,3-dimethyl- 2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl ester|Forbid|Oberon|UNII-N726NTQ5ZC https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034929
ERPathway2016 ERPathway2016_838 Spiromesifen 283594-90-1 DTXSID1034929 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC(C)=C(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)C(C)=C1 Spiromesifen 283594-90-1|Spiromesifen|3-mesityl-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate|BSN 2060|Butanoic acid, 3,3-dimethyl- 2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl ester|Forbid|Oberon|UNII-N726NTQ5ZC https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034929
ARPathway2016 ARPathway2016_197 Spironolactone 52-01-7 DTXSID6034186 FLAG: Wrong direction (Hit/No hit) 2.0 Antagonist AR Pathway Model, Agonist AC50 0.0840111351081971 uM [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SC(C)=O Spironolactone 52-01-7|Spironolactone|(7a,17a)-7-(Acetylthio)-17-hydroxy-3-oxo-pregn-4-ene-21-carboxylic acid g-lactone|17-alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-alpha-mercapto-3-oxo-, gamma-lactone acetate|17alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7alpha-mercapto-3-oxo-, gamma-lactone, acetate|17a-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7a-mercapto-3-oxo-, g-lactone, acetate|3-(3-Keto-7-alpha-acetylthio-17-beta-hydroxy-4-androsten-17-alpha-yl)propionic acid lactone|3-(3-keto-7a-Acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid lactone|3-(3-Oxo-7a-acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid-g-lactone|3'-(3-Oxo-7-alpha-acetylthio-17-beta-hydroxyandrost-4-en-17-beta-yl)propionic acid lactone|3'-(3-Oxo-7a-acetylthio-17b-hydroxyandrost-4-en-17a-yl)-propionic acid lactone|4-18-00-01601|7-alpha-(acetylthio)-17-alpha-hydroxy-3-oxopregn-4-ene-21-carboxylic acid, gamma-lactone|7-alpha-Acetylthio-3-oxo-17-alpha-pregn-4-ene-21,17-beta-carbolactone|7a-Acetylthio-3-oxo-17a-pregn-4-ene-21,17b-carbo|1050678-93-7|1436392-20-9|496916-40-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034186
ARPathway2016 ARPathway2016_197 Spironolactone 52-01-7 DTXSID6034186 FLAG: Wrong direction (Hit/No hit) 2.0 Antagonist AR Pathway Model, Agonist ACC 0.0380942303067099 uM [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SC(C)=O Spironolactone 52-01-7|Spironolactone|(7a,17a)-7-(Acetylthio)-17-hydroxy-3-oxo-pregn-4-ene-21-carboxylic acid g-lactone|17-alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-alpha-mercapto-3-oxo-, gamma-lactone acetate|17alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7alpha-mercapto-3-oxo-, gamma-lactone, acetate|17a-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7a-mercapto-3-oxo-, g-lactone, acetate|3-(3-Keto-7-alpha-acetylthio-17-beta-hydroxy-4-androsten-17-alpha-yl)propionic acid lactone|3-(3-keto-7a-Acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid lactone|3-(3-Oxo-7a-acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid-g-lactone|3'-(3-Oxo-7-alpha-acetylthio-17-beta-hydroxyandrost-4-en-17-beta-yl)propionic acid lactone|3'-(3-Oxo-7a-acetylthio-17b-hydroxyandrost-4-en-17a-yl)-propionic acid lactone|4-18-00-01601|7-alpha-(acetylthio)-17-alpha-hydroxy-3-oxopregn-4-ene-21-carboxylic acid, gamma-lactone|7-alpha-Acetylthio-3-oxo-17-alpha-pregn-4-ene-21,17-beta-carbolactone|7a-Acetylthio-3-oxo-17a-pregn-4-ene-21,17b-carbo|1050678-93-7|1436392-20-9|496916-40-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034186
ARPathway2016 ARPathway2016_197 Spironolactone 52-01-7 DTXSID6034186 FLAG: Wrong direction (Hit/No hit) 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.191 Unitless [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SC(C)=O Spironolactone 52-01-7|Spironolactone|(7a,17a)-7-(Acetylthio)-17-hydroxy-3-oxo-pregn-4-ene-21-carboxylic acid g-lactone|17-alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-alpha-mercapto-3-oxo-, gamma-lactone acetate|17alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7alpha-mercapto-3-oxo-, gamma-lactone, acetate|17a-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7a-mercapto-3-oxo-, g-lactone, acetate|3-(3-Keto-7-alpha-acetylthio-17-beta-hydroxy-4-androsten-17-alpha-yl)propionic acid lactone|3-(3-keto-7a-Acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid lactone|3-(3-Oxo-7a-acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid-g-lactone|3'-(3-Oxo-7-alpha-acetylthio-17-beta-hydroxyandrost-4-en-17-beta-yl)propionic acid lactone|3'-(3-Oxo-7a-acetylthio-17b-hydroxyandrost-4-en-17a-yl)-propionic acid lactone|4-18-00-01601|7-alpha-(acetylthio)-17-alpha-hydroxy-3-oxopregn-4-ene-21-carboxylic acid, gamma-lactone|7-alpha-Acetylthio-3-oxo-17-alpha-pregn-4-ene-21,17-beta-carbolactone|7a-Acetylthio-3-oxo-17a-pregn-4-ene-21,17b-carbo|1050678-93-7|1436392-20-9|496916-40-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034186
ARPathway2016 ARPathway2016_197 Spironolactone 52-01-7 DTXSID6034186 FLAG: Wrong direction (Hit/No hit) 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SC(C)=O Spironolactone 52-01-7|Spironolactone|(7a,17a)-7-(Acetylthio)-17-hydroxy-3-oxo-pregn-4-ene-21-carboxylic acid g-lactone|17-alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-alpha-mercapto-3-oxo-, gamma-lactone acetate|17alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7alpha-mercapto-3-oxo-, gamma-lactone, acetate|17a-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7a-mercapto-3-oxo-, g-lactone, acetate|3-(3-Keto-7-alpha-acetylthio-17-beta-hydroxy-4-androsten-17-alpha-yl)propionic acid lactone|3-(3-keto-7a-Acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid lactone|3-(3-Oxo-7a-acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid-g-lactone|3'-(3-Oxo-7-alpha-acetylthio-17-beta-hydroxyandrost-4-en-17-beta-yl)propionic acid lactone|3'-(3-Oxo-7a-acetylthio-17b-hydroxyandrost-4-en-17a-yl)-propionic acid lactone|4-18-00-01601|7-alpha-(acetylthio)-17-alpha-hydroxy-3-oxopregn-4-ene-21-carboxylic acid, gamma-lactone|7-alpha-Acetylthio-3-oxo-17-alpha-pregn-4-ene-21,17-beta-carbolactone|7a-Acetylthio-3-oxo-17a-pregn-4-ene-21,17b-carbo|1050678-93-7|1436392-20-9|496916-40-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034186
ARPathway2016 ARPathway2016_197 Spironolactone 52-01-7 DTXSID6034186 FLAG: Wrong direction (Hit/No hit) 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SC(C)=O Spironolactone 52-01-7|Spironolactone|(7a,17a)-7-(Acetylthio)-17-hydroxy-3-oxo-pregn-4-ene-21-carboxylic acid g-lactone|17-alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-alpha-mercapto-3-oxo-, gamma-lactone acetate|17alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7alpha-mercapto-3-oxo-, gamma-lactone, acetate|17a-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7a-mercapto-3-oxo-, g-lactone, acetate|3-(3-Keto-7-alpha-acetylthio-17-beta-hydroxy-4-androsten-17-alpha-yl)propionic acid lactone|3-(3-keto-7a-Acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid lactone|3-(3-Oxo-7a-acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid-g-lactone|3'-(3-Oxo-7-alpha-acetylthio-17-beta-hydroxyandrost-4-en-17-beta-yl)propionic acid lactone|3'-(3-Oxo-7a-acetylthio-17b-hydroxyandrost-4-en-17a-yl)-propionic acid lactone|4-18-00-01601|7-alpha-(acetylthio)-17-alpha-hydroxy-3-oxopregn-4-ene-21-carboxylic acid, gamma-lactone|7-alpha-Acetylthio-3-oxo-17-alpha-pregn-4-ene-21,17-beta-carbolactone|7a-Acetylthio-3-oxo-17a-pregn-4-ene-21,17b-carbo|1050678-93-7|1436392-20-9|496916-40-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034186
ARPathway2016 ARPathway2016_197 Spironolactone 52-01-7 DTXSID6034186 FLAG: Wrong direction (Hit/No hit) 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SC(C)=O Spironolactone 52-01-7|Spironolactone|(7a,17a)-7-(Acetylthio)-17-hydroxy-3-oxo-pregn-4-ene-21-carboxylic acid g-lactone|17-alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-alpha-mercapto-3-oxo-, gamma-lactone acetate|17alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7alpha-mercapto-3-oxo-, gamma-lactone, acetate|17a-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7a-mercapto-3-oxo-, g-lactone, acetate|3-(3-Keto-7-alpha-acetylthio-17-beta-hydroxy-4-androsten-17-alpha-yl)propionic acid lactone|3-(3-keto-7a-Acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid lactone|3-(3-Oxo-7a-acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid-g-lactone|3'-(3-Oxo-7-alpha-acetylthio-17-beta-hydroxyandrost-4-en-17-beta-yl)propionic acid lactone|3'-(3-Oxo-7a-acetylthio-17b-hydroxyandrost-4-en-17a-yl)-propionic acid lactone|4-18-00-01601|7-alpha-(acetylthio)-17-alpha-hydroxy-3-oxopregn-4-ene-21-carboxylic acid, gamma-lactone|7-alpha-Acetylthio-3-oxo-17-alpha-pregn-4-ene-21,17-beta-carbolactone|7a-Acetylthio-3-oxo-17a-pregn-4-ene-21,17b-carbo|1050678-93-7|1436392-20-9|496916-40-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034186
ERPathway2016 ERPathway2016_494 Spironolactone 52-01-7 DTXSID6034186 R8 ER Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SC(C)=O Spironolactone 52-01-7|Spironolactone|(7a,17a)-7-(Acetylthio)-17-hydroxy-3-oxo-pregn-4-ene-21-carboxylic acid g-lactone|17-alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-alpha-mercapto-3-oxo-, gamma-lactone acetate|17alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7alpha-mercapto-3-oxo-, gamma-lactone, acetate|17a-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7a-mercapto-3-oxo-, g-lactone, acetate|3-(3-Keto-7-alpha-acetylthio-17-beta-hydroxy-4-androsten-17-alpha-yl)propionic acid lactone|3-(3-keto-7a-Acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid lactone|3-(3-Oxo-7a-acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid-g-lactone|3'-(3-Oxo-7-alpha-acetylthio-17-beta-hydroxyandrost-4-en-17-beta-yl)propionic acid lactone|3'-(3-Oxo-7a-acetylthio-17b-hydroxyandrost-4-en-17a-yl)-propionic acid lactone|4-18-00-01601|7-alpha-(acetylthio)-17-alpha-hydroxy-3-oxopregn-4-ene-21-carboxylic acid, gamma-lactone|7-alpha-Acetylthio-3-oxo-17-alpha-pregn-4-ene-21,17-beta-carbolactone|7a-Acetylthio-3-oxo-17a-pregn-4-ene-21,17b-carbo|1050678-93-7|1436392-20-9|496916-40-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034186
ERPathway2016 ERPathway2016_494 Spironolactone 52-01-7 DTXSID6034186 R8 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SC(C)=O Spironolactone 52-01-7|Spironolactone|(7a,17a)-7-(Acetylthio)-17-hydroxy-3-oxo-pregn-4-ene-21-carboxylic acid g-lactone|17-alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-alpha-mercapto-3-oxo-, gamma-lactone acetate|17alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7alpha-mercapto-3-oxo-, gamma-lactone, acetate|17a-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7a-mercapto-3-oxo-, g-lactone, acetate|3-(3-Keto-7-alpha-acetylthio-17-beta-hydroxy-4-androsten-17-alpha-yl)propionic acid lactone|3-(3-keto-7a-Acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid lactone|3-(3-Oxo-7a-acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid-g-lactone|3'-(3-Oxo-7-alpha-acetylthio-17-beta-hydroxyandrost-4-en-17-beta-yl)propionic acid lactone|3'-(3-Oxo-7a-acetylthio-17b-hydroxyandrost-4-en-17a-yl)-propionic acid lactone|4-18-00-01601|7-alpha-(acetylthio)-17-alpha-hydroxy-3-oxopregn-4-ene-21-carboxylic acid, gamma-lactone|7-alpha-Acetylthio-3-oxo-17-alpha-pregn-4-ene-21,17-beta-carbolactone|7a-Acetylthio-3-oxo-17a-pregn-4-ene-21,17b-carbo|1050678-93-7|1436392-20-9|496916-40-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034186
ERPathway2016 ERPathway2016_494 Spironolactone 52-01-7 DTXSID6034186 R8 ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SC(C)=O Spironolactone 52-01-7|Spironolactone|(7a,17a)-7-(Acetylthio)-17-hydroxy-3-oxo-pregn-4-ene-21-carboxylic acid g-lactone|17-alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-alpha-mercapto-3-oxo-, gamma-lactone acetate|17alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7alpha-mercapto-3-oxo-, gamma-lactone, acetate|17a-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7a-mercapto-3-oxo-, g-lactone, acetate|3-(3-Keto-7-alpha-acetylthio-17-beta-hydroxy-4-androsten-17-alpha-yl)propionic acid lactone|3-(3-keto-7a-Acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid lactone|3-(3-Oxo-7a-acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid-g-lactone|3'-(3-Oxo-7-alpha-acetylthio-17-beta-hydroxyandrost-4-en-17-beta-yl)propionic acid lactone|3'-(3-Oxo-7a-acetylthio-17b-hydroxyandrost-4-en-17a-yl)-propionic acid lactone|4-18-00-01601|7-alpha-(acetylthio)-17-alpha-hydroxy-3-oxopregn-4-ene-21-carboxylic acid, gamma-lactone|7-alpha-Acetylthio-3-oxo-17-alpha-pregn-4-ene-21,17-beta-carbolactone|7a-Acetylthio-3-oxo-17a-pregn-4-ene-21,17b-carbo|1050678-93-7|1436392-20-9|496916-40-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034186
ERPathway2016 ERPathway2016_494 Spironolactone 52-01-7 DTXSID6034186 R8 ER Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SC(C)=O Spironolactone 52-01-7|Spironolactone|(7a,17a)-7-(Acetylthio)-17-hydroxy-3-oxo-pregn-4-ene-21-carboxylic acid g-lactone|17-alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-alpha-mercapto-3-oxo-, gamma-lactone acetate|17alpha-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7alpha-mercapto-3-oxo-, gamma-lactone, acetate|17a-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7a-mercapto-3-oxo-, g-lactone, acetate|3-(3-Keto-7-alpha-acetylthio-17-beta-hydroxy-4-androsten-17-alpha-yl)propionic acid lactone|3-(3-keto-7a-Acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid lactone|3-(3-Oxo-7a-acetylthio-17b-hydroxy-4-androsten-17a-yl)propionic acid-g-lactone|3'-(3-Oxo-7-alpha-acetylthio-17-beta-hydroxyandrost-4-en-17-beta-yl)propionic acid lactone|3'-(3-Oxo-7a-acetylthio-17b-hydroxyandrost-4-en-17a-yl)-propionic acid lactone|4-18-00-01601|7-alpha-(acetylthio)-17-alpha-hydroxy-3-oxopregn-4-ene-21-carboxylic acid, gamma-lactone|7-alpha-Acetylthio-3-oxo-17-alpha-pregn-4-ene-21,17-beta-carbolactone|7a-Acetylthio-3-oxo-17a-pregn-4-ene-21,17b-carbo|1050678-93-7|1436392-20-9|496916-40-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034186
ARPathway2016 ARPathway2016_643 Spiroxamine 118134-30-8 DTXSID1034212 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1 Spiroxamine 118134-30-8|Spiroxamine|1,4-Dioxaspiro[4.5]decane-2-methanamine, 8-(1,1-dimethylethyl)-N-ethyl-N-propyl-|8-(1,1-Dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro[4.5]decane-2-methanamine|KWG 4168|KWG4168|Spiroketalamine|1135443-61-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034212
ARPathway2016 ARPathway2016_643 Spiroxamine 118134-30-8 DTXSID1034212 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1 Spiroxamine 118134-30-8|Spiroxamine|1,4-Dioxaspiro[4.5]decane-2-methanamine, 8-(1,1-dimethylethyl)-N-ethyl-N-propyl-|8-(1,1-Dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro[4.5]decane-2-methanamine|KWG 4168|KWG4168|Spiroketalamine|1135443-61-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034212
ARPathway2016 ARPathway2016_643 Spiroxamine 118134-30-8 DTXSID1034212 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1 Spiroxamine 118134-30-8|Spiroxamine|1,4-Dioxaspiro[4.5]decane-2-methanamine, 8-(1,1-dimethylethyl)-N-ethyl-N-propyl-|8-(1,1-Dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro[4.5]decane-2-methanamine|KWG 4168|KWG4168|Spiroketalamine|1135443-61-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034212
ARPathway2016 ARPathway2016_643 Spiroxamine 118134-30-8 DTXSID1034212 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1 Spiroxamine 118134-30-8|Spiroxamine|1,4-Dioxaspiro[4.5]decane-2-methanamine, 8-(1,1-dimethylethyl)-N-ethyl-N-propyl-|8-(1,1-Dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro[4.5]decane-2-methanamine|KWG 4168|KWG4168|Spiroketalamine|1135443-61-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034212
ERPathway2016 ERPathway2016_1195 Spiroxamine 118134-30-8 DTXSID1034212 ER Pathway Model, Agonist Model Score 0 Unitless CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1 Spiroxamine 118134-30-8|Spiroxamine|1,4-Dioxaspiro[4.5]decane-2-methanamine, 8-(1,1-dimethylethyl)-N-ethyl-N-propyl-|8-(1,1-Dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro[4.5]decane-2-methanamine|KWG 4168|KWG4168|Spiroketalamine|1135443-61-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034212
ERPathway2016 ERPathway2016_1195 Spiroxamine 118134-30-8 DTXSID1034212 ER Pathway Model, Antagonist Model Score 0 Unitless CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1 Spiroxamine 118134-30-8|Spiroxamine|1,4-Dioxaspiro[4.5]decane-2-methanamine, 8-(1,1-dimethylethyl)-N-ethyl-N-propyl-|8-(1,1-Dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro[4.5]decane-2-methanamine|KWG 4168|KWG4168|Spiroketalamine|1135443-61-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034212
ERPathway2016 ERPathway2016_1195 Spiroxamine 118134-30-8 DTXSID1034212 ER Pathway Model, Agonist Call Inactive Unitless CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1 Spiroxamine 118134-30-8|Spiroxamine|1,4-Dioxaspiro[4.5]decane-2-methanamine, 8-(1,1-dimethylethyl)-N-ethyl-N-propyl-|8-(1,1-Dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro[4.5]decane-2-methanamine|KWG 4168|KWG4168|Spiroketalamine|1135443-61-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034212
ERPathway2016 ERPathway2016_1195 Spiroxamine 118134-30-8 DTXSID1034212 ER Pathway Model, Antagonist Call Inactive Unitless CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1 Spiroxamine 118134-30-8|Spiroxamine|1,4-Dioxaspiro[4.5]decane-2-methanamine, 8-(1,1-dimethylethyl)-N-ethyl-N-propyl-|8-(1,1-Dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro[4.5]decane-2-methanamine|KWG 4168|KWG4168|Spiroketalamine|1135443-61-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034212
ARPathway2016 ARPathway2016_332 SR125047 NOCAS_47342 DTXSID3047342 FLAG: Wrong direction (Hit/No hit) 0.0 Antagonist AR Pathway Model, Agonist AC50 55.3645439399999 uM Cl.COC1=CC=CC(=C1)C1=C(Cl)C=C(C=C/CN2CCCCCC2)C=C1 SR125047 NOCAS_47342|SR125047|SSR125047 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047342
ARPathway2016 ARPathway2016_332 SR125047 NOCAS_47342 DTXSID3047342 FLAG: Wrong direction (Hit/No hit) 0.0 Antagonist AR Pathway Model, Agonist ACC 57.7737796199472 uM Cl.COC1=CC=CC(=C1)C1=C(Cl)C=C(C=C/CN2CCCCCC2)C=C1 SR125047 NOCAS_47342|SR125047|SSR125047 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047342
ARPathway2016 ARPathway2016_332 SR125047 NOCAS_47342 DTXSID3047342 FLAG: Wrong direction (Hit/No hit) 0.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0612 Unitless Cl.COC1=CC=CC(=C1)C1=C(Cl)C=C(C=C/CN2CCCCCC2)C=C1 SR125047 NOCAS_47342|SR125047|SSR125047 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047342
ARPathway2016 ARPathway2016_332 SR125047 NOCAS_47342 DTXSID3047342 FLAG: Wrong direction (Hit/No hit) 0.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless Cl.COC1=CC=CC(=C1)C1=C(Cl)C=C(C=C/CN2CCCCCC2)C=C1 SR125047 NOCAS_47342|SR125047|SSR125047 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047342
ARPathway2016 ARPathway2016_332 SR125047 NOCAS_47342 DTXSID3047342 FLAG: Wrong direction (Hit/No hit) 0.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Cl.COC1=CC=CC(=C1)C1=C(Cl)C=C(C=C/CN2CCCCCC2)C=C1 SR125047 NOCAS_47342|SR125047|SSR125047 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047342
ARPathway2016 ARPathway2016_332 SR125047 NOCAS_47342 DTXSID3047342 FLAG: Wrong direction (Hit/No hit) 0.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Cl.COC1=CC=CC(=C1)C1=C(Cl)C=C(C=C/CN2CCCCCC2)C=C1 SR125047 NOCAS_47342|SR125047|SSR125047 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047342
ERPathway2016 ERPathway2016_615 SR125047 NOCAS_47342 DTXSID3047342 ER Pathway Model, Agonist Model Score 0 Unitless Cl.COC1=CC=CC(=C1)C1=C(Cl)C=C(C=C/CN2CCCCCC2)C=C1 SR125047 NOCAS_47342|SR125047|SSR125047 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047342
ERPathway2016 ERPathway2016_615 SR125047 NOCAS_47342 DTXSID3047342 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.COC1=CC=CC(=C1)C1=C(Cl)C=C(C=C/CN2CCCCCC2)C=C1 SR125047 NOCAS_47342|SR125047|SSR125047 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047342
ERPathway2016 ERPathway2016_615 SR125047 NOCAS_47342 DTXSID3047342 ER Pathway Model, Agonist Call Inactive Unitless Cl.COC1=CC=CC(=C1)C1=C(Cl)C=C(C=C/CN2CCCCCC2)C=C1 SR125047 NOCAS_47342|SR125047|SSR125047 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047342
ERPathway2016 ERPathway2016_615 SR125047 NOCAS_47342 DTXSID3047342 ER Pathway Model, Antagonist Call Inactive Unitless Cl.COC1=CC=CC(=C1)C1=C(Cl)C=C(C=C/CN2CCCCCC2)C=C1 SR125047 NOCAS_47342|SR125047|SSR125047 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047342
ARPathway2016 ARPathway2016_949 SR144190 181640-09-5 DTXSID4047339 0.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.CN(C)C(=O)NC1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC(F)=C(F)C=C2)CC1)C1=CC=CC=C1 SR144190 181640-09-5|SR144190|SR144190A https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047339
ARPathway2016 ARPathway2016_949 SR144190 181640-09-5 DTXSID4047339 0.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless Cl.CN(C)C(=O)NC1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC(F)=C(F)C=C2)CC1)C1=CC=CC=C1 SR144190 181640-09-5|SR144190|SR144190A https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047339
ARPathway2016 ARPathway2016_949 SR144190 181640-09-5 DTXSID4047339 0.0 R5 AR Pathway Model, Agonist Call Inactive Unitless Cl.CN(C)C(=O)NC1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC(F)=C(F)C=C2)CC1)C1=CC=CC=C1 SR144190 181640-09-5|SR144190|SR144190A https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047339
ARPathway2016 ARPathway2016_949 SR144190 181640-09-5 DTXSID4047339 0.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless Cl.CN(C)C(=O)NC1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC(F)=C(F)C=C2)CC1)C1=CC=CC=C1 SR144190 181640-09-5|SR144190|SR144190A https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047339
ERPathway2016 ERPathway2016_1351 SR144190 181640-09-5 DTXSID4047339 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CN(C)C(=O)NC1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC(F)=C(F)C=C2)CC1)C1=CC=CC=C1 SR144190 181640-09-5|SR144190|SR144190A https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047339
ERPathway2016 ERPathway2016_1351 SR144190 181640-09-5 DTXSID4047339 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CN(C)C(=O)NC1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC(F)=C(F)C=C2)CC1)C1=CC=CC=C1 SR144190 181640-09-5|SR144190|SR144190A https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047339
ERPathway2016 ERPathway2016_1351 SR144190 181640-09-5 DTXSID4047339 ER Pathway Model, Agonist Call Inactive Unitless Cl.CN(C)C(=O)NC1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC(F)=C(F)C=C2)CC1)C1=CC=CC=C1 SR144190 181640-09-5|SR144190|SR144190A https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047339
ERPathway2016 ERPathway2016_1351 SR144190 181640-09-5 DTXSID4047339 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CN(C)C(=O)NC1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC(F)=C(F)C=C2)CC1)C1=CC=CC=C1 SR144190 181640-09-5|SR144190|SR144190A https://comptox.epa.gov/dashboard/chemical/details/DTXSID4047339
ARPathway2016 ARPathway2016_112 SR146131 trifluoroacetate (1:1) 221671-62-1 DTXSID6047369 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 10.90410531 uM OC(=O)C(F)(F)F.COC1=CC(C2=C(CCC3CCCCC3)SC(NC(=O)C3=CC4=CC(C)=CC(C)=C4N3CC(O)=O)=N2)=C(OC)C=C1Cl SR146131 trifluoroacetate (1:1) 221671-62-1|SR146131 trifluoroacetate (1:1)|1H- Indole- 1- acetic acid, 2- [[[4- (4- chloro- 2, 5- dimethoxyphenyl) - 5- (2- cyclohexylethyl) - 2- thiazolyl] amino] carbonyl] - 5, 7- dimethyl- , 2, 2, 2- trifluoroacetate (1:1)|1H-Indole-1-acetic acid, 2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]carbonyl]-5,7-dimethyl-, mono(trifluoroacetate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047369
ARPathway2016 ARPathway2016_112 SR146131 trifluoroacetate (1:1) 221671-62-1 DTXSID6047369 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 15.4683827057387 uM OC(=O)C(F)(F)F.COC1=CC(C2=C(CCC3CCCCC3)SC(NC(=O)C3=CC4=CC(C)=CC(C)=C4N3CC(O)=O)=N2)=C(OC)C=C1Cl SR146131 trifluoroacetate (1:1) 221671-62-1|SR146131 trifluoroacetate (1:1)|1H- Indole- 1- acetic acid, 2- [[[4- (4- chloro- 2, 5- dimethoxyphenyl) - 5- (2- cyclohexylethyl) - 2- thiazolyl] amino] carbonyl] - 5, 7- dimethyl- , 2, 2, 2- trifluoroacetate (1:1)|1H-Indole-1-acetic acid, 2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]carbonyl]-5,7-dimethyl-, mono(trifluoroacetate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047369
ARPathway2016 ARPathway2016_112 SR146131 trifluoroacetate (1:1) 221671-62-1 DTXSID6047369 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0684 Unitless OC(=O)C(F)(F)F.COC1=CC(C2=C(CCC3CCCCC3)SC(NC(=O)C3=CC4=CC(C)=CC(C)=C4N3CC(O)=O)=N2)=C(OC)C=C1Cl SR146131 trifluoroacetate (1:1) 221671-62-1|SR146131 trifluoroacetate (1:1)|1H- Indole- 1- acetic acid, 2- [[[4- (4- chloro- 2, 5- dimethoxyphenyl) - 5- (2- cyclohexylethyl) - 2- thiazolyl] amino] carbonyl] - 5, 7- dimethyl- , 2, 2, 2- trifluoroacetate (1:1)|1H-Indole-1-acetic acid, 2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]carbonyl]-5,7-dimethyl-, mono(trifluoroacetate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047369
ARPathway2016 ARPathway2016_112 SR146131 trifluoroacetate (1:1) 221671-62-1 DTXSID6047369 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0.00887 Unitless OC(=O)C(F)(F)F.COC1=CC(C2=C(CCC3CCCCC3)SC(NC(=O)C3=CC4=CC(C)=CC(C)=C4N3CC(O)=O)=N2)=C(OC)C=C1Cl SR146131 trifluoroacetate (1:1) 221671-62-1|SR146131 trifluoroacetate (1:1)|1H- Indole- 1- acetic acid, 2- [[[4- (4- chloro- 2, 5- dimethoxyphenyl) - 5- (2- cyclohexylethyl) - 2- thiazolyl] amino] carbonyl] - 5, 7- dimethyl- , 2, 2, 2- trifluoroacetate (1:1)|1H-Indole-1-acetic acid, 2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]carbonyl]-5,7-dimethyl-, mono(trifluoroacetate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047369
ARPathway2016 ARPathway2016_112 SR146131 trifluoroacetate (1:1) 221671-62-1 DTXSID6047369 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC(=O)C(F)(F)F.COC1=CC(C2=C(CCC3CCCCC3)SC(NC(=O)C3=CC4=CC(C)=CC(C)=C4N3CC(O)=O)=N2)=C(OC)C=C1Cl SR146131 trifluoroacetate (1:1) 221671-62-1|SR146131 trifluoroacetate (1:1)|1H- Indole- 1- acetic acid, 2- [[[4- (4- chloro- 2, 5- dimethoxyphenyl) - 5- (2- cyclohexylethyl) - 2- thiazolyl] amino] carbonyl] - 5, 7- dimethyl- , 2, 2, 2- trifluoroacetate (1:1)|1H-Indole-1-acetic acid, 2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]carbonyl]-5,7-dimethyl-, mono(trifluoroacetate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047369
ARPathway2016 ARPathway2016_112 SR146131 trifluoroacetate (1:1) 221671-62-1 DTXSID6047369 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(F)(F)F.COC1=CC(C2=C(CCC3CCCCC3)SC(NC(=O)C3=CC4=CC(C)=CC(C)=C4N3CC(O)=O)=N2)=C(OC)C=C1Cl SR146131 trifluoroacetate (1:1) 221671-62-1|SR146131 trifluoroacetate (1:1)|1H- Indole- 1- acetic acid, 2- [[[4- (4- chloro- 2, 5- dimethoxyphenyl) - 5- (2- cyclohexylethyl) - 2- thiazolyl] amino] carbonyl] - 5, 7- dimethyl- , 2, 2, 2- trifluoroacetate (1:1)|1H-Indole-1-acetic acid, 2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]carbonyl]-5,7-dimethyl-, mono(trifluoroacetate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047369
ERPathway2016 ERPathway2016_104 SR146131 trifluoroacetate (1:1) 221671-62-1 DTXSID6047369 A17 ER Pathway Model, Agonist AC50 13.4080497179479 uM OC(=O)C(F)(F)F.COC1=CC(C2=C(CCC3CCCCC3)SC(NC(=O)C3=CC4=CC(C)=CC(C)=C4N3CC(O)=O)=N2)=C(OC)C=C1Cl SR146131 trifluoroacetate (1:1) 221671-62-1|SR146131 trifluoroacetate (1:1)|1H- Indole- 1- acetic acid, 2- [[[4- (4- chloro- 2, 5- dimethoxyphenyl) - 5- (2- cyclohexylethyl) - 2- thiazolyl] amino] carbonyl] - 5, 7- dimethyl- , 2, 2, 2- trifluoroacetate (1:1)|1H-Indole-1-acetic acid, 2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]carbonyl]-5,7-dimethyl-, mono(trifluoroacetate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047369
ERPathway2016 ERPathway2016_104 SR146131 trifluoroacetate (1:1) 221671-62-1 DTXSID6047369 A17 ER Pathway Model, Agonist ACC 14.14727260424 uM OC(=O)C(F)(F)F.COC1=CC(C2=C(CCC3CCCCC3)SC(NC(=O)C3=CC4=CC(C)=CC(C)=C4N3CC(O)=O)=N2)=C(OC)C=C1Cl SR146131 trifluoroacetate (1:1) 221671-62-1|SR146131 trifluoroacetate (1:1)|1H- Indole- 1- acetic acid, 2- [[[4- (4- chloro- 2, 5- dimethoxyphenyl) - 5- (2- cyclohexylethyl) - 2- thiazolyl] amino] carbonyl] - 5, 7- dimethyl- , 2, 2, 2- trifluoroacetate (1:1)|1H-Indole-1-acetic acid, 2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]carbonyl]-5,7-dimethyl-, mono(trifluoroacetate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047369
ERPathway2016 ERPathway2016_104 SR146131 trifluoroacetate (1:1) 221671-62-1 DTXSID6047369 A17 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C(F)(F)F.COC1=CC(C2=C(CCC3CCCCC3)SC(NC(=O)C3=CC4=CC(C)=CC(C)=C4N3CC(O)=O)=N2)=C(OC)C=C1Cl SR146131 trifluoroacetate (1:1) 221671-62-1|SR146131 trifluoroacetate (1:1)|1H- Indole- 1- acetic acid, 2- [[[4- (4- chloro- 2, 5- dimethoxyphenyl) - 5- (2- cyclohexylethyl) - 2- thiazolyl] amino] carbonyl] - 5, 7- dimethyl- , 2, 2, 2- trifluoroacetate (1:1)|1H-Indole-1-acetic acid, 2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]carbonyl]-5,7-dimethyl-, mono(trifluoroacetate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047369
ERPathway2016 ERPathway2016_104 SR146131 trifluoroacetate (1:1) 221671-62-1 DTXSID6047369 A17 ER Pathway Model, Antagonist Model Score 0.00907 Unitless OC(=O)C(F)(F)F.COC1=CC(C2=C(CCC3CCCCC3)SC(NC(=O)C3=CC4=CC(C)=CC(C)=C4N3CC(O)=O)=N2)=C(OC)C=C1Cl SR146131 trifluoroacetate (1:1) 221671-62-1|SR146131 trifluoroacetate (1:1)|1H- Indole- 1- acetic acid, 2- [[[4- (4- chloro- 2, 5- dimethoxyphenyl) - 5- (2- cyclohexylethyl) - 2- thiazolyl] amino] carbonyl] - 5, 7- dimethyl- , 2, 2, 2- trifluoroacetate (1:1)|1H-Indole-1-acetic acid, 2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]carbonyl]-5,7-dimethyl-, mono(trifluoroacetate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047369
ERPathway2016 ERPathway2016_104 SR146131 trifluoroacetate (1:1) 221671-62-1 DTXSID6047369 A17 ER Pathway Model, Agonist Call Active Unitless OC(=O)C(F)(F)F.COC1=CC(C2=C(CCC3CCCCC3)SC(NC(=O)C3=CC4=CC(C)=CC(C)=C4N3CC(O)=O)=N2)=C(OC)C=C1Cl SR146131 trifluoroacetate (1:1) 221671-62-1|SR146131 trifluoroacetate (1:1)|1H- Indole- 1- acetic acid, 2- [[[4- (4- chloro- 2, 5- dimethoxyphenyl) - 5- (2- cyclohexylethyl) - 2- thiazolyl] amino] carbonyl] - 5, 7- dimethyl- , 2, 2, 2- trifluoroacetate (1:1)|1H-Indole-1-acetic acid, 2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]carbonyl]-5,7-dimethyl-, mono(trifluoroacetate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047369
ERPathway2016 ERPathway2016_104 SR146131 trifluoroacetate (1:1) 221671-62-1 DTXSID6047369 A17 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(F)(F)F.COC1=CC(C2=C(CCC3CCCCC3)SC(NC(=O)C3=CC4=CC(C)=CC(C)=C4N3CC(O)=O)=N2)=C(OC)C=C1Cl SR146131 trifluoroacetate (1:1) 221671-62-1|SR146131 trifluoroacetate (1:1)|1H- Indole- 1- acetic acid, 2- [[[4- (4- chloro- 2, 5- dimethoxyphenyl) - 5- (2- cyclohexylethyl) - 2- thiazolyl] amino] carbonyl] - 5, 7- dimethyl- , 2, 2, 2- trifluoroacetate (1:1)|1H-Indole-1-acetic acid, 2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]carbonyl]-5,7-dimethyl-, mono(trifluoroacetate) https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047369
ARPathway2016 ARPathway2016_352 SR271425 155990-20-8 DTXSID8047347 True antagonist shift (No hit/Hit) 2.0 Agonist AR Pathway Model, Antagonist AC50 10.069848275274 uM CCN(CC)CCNC1=C2C(=O)C3=C(SC2=C(CNC=O)C=C1)C=CC(OC)=C3 SR271425 155990-20-8|SR271425|UNII-115755X1L7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047347
ARPathway2016 ARPathway2016_352 SR271425 155990-20-8 DTXSID8047347 True antagonist shift (No hit/Hit) 2.0 Agonist AR Pathway Model, Antagonist ACC 8.83048027789264 uM CCN(CC)CCNC1=C2C(=O)C3=C(SC2=C(CNC=O)C=C1)C=CC(OC)=C3 SR271425 155990-20-8|SR271425|UNII-115755X1L7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047347
ARPathway2016 ARPathway2016_352 SR271425 155990-20-8 DTXSID8047347 True antagonist shift (No hit/Hit) 2.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless CCN(CC)CCNC1=C2C(=O)C3=C(SC2=C(CNC=O)C=C1)C=CC(OC)=C3 SR271425 155990-20-8|SR271425|UNII-115755X1L7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047347
ARPathway2016 ARPathway2016_352 SR271425 155990-20-8 DTXSID8047347 True antagonist shift (No hit/Hit) 2.0 Agonist AR Pathway Model, Agonist Model Score 0.0796 Unitless CCN(CC)CCNC1=C2C(=O)C3=C(SC2=C(CNC=O)C=C1)C=CC(OC)=C3 SR271425 155990-20-8|SR271425|UNII-115755X1L7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047347
ARPathway2016 ARPathway2016_352 SR271425 155990-20-8 DTXSID8047347 True antagonist shift (No hit/Hit) 2.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless CCN(CC)CCNC1=C2C(=O)C3=C(SC2=C(CNC=O)C=C1)C=CC(OC)=C3 SR271425 155990-20-8|SR271425|UNII-115755X1L7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047347
ARPathway2016 ARPathway2016_352 SR271425 155990-20-8 DTXSID8047347 True antagonist shift (No hit/Hit) 2.0 Agonist AR Pathway Model, Antagonist Call Active Unitless CCN(CC)CCNC1=C2C(=O)C3=C(SC2=C(CNC=O)C=C1)C=CC(OC)=C3 SR271425 155990-20-8|SR271425|UNII-115755X1L7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047347
ERPathway2016 ERPathway2016_272 SR271425 155990-20-8 DTXSID8047347 ER Pathway Model, Antagonist AC50 2.39591854789334 uM CCN(CC)CCNC1=C2C(=O)C3=C(SC2=C(CNC=O)C=C1)C=CC(OC)=C3 SR271425 155990-20-8|SR271425|UNII-115755X1L7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047347
ERPathway2016 ERPathway2016_272 SR271425 155990-20-8 DTXSID8047347 ER Pathway Model, Antagonist ACC 2.93958209607337 uM CCN(CC)CCNC1=C2C(=O)C3=C(SC2=C(CNC=O)C=C1)C=CC(OC)=C3 SR271425 155990-20-8|SR271425|UNII-115755X1L7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047347
ERPathway2016 ERPathway2016_272 SR271425 155990-20-8 DTXSID8047347 ER Pathway Model, Agonist Model Score 0.0558 Unitless CCN(CC)CCNC1=C2C(=O)C3=C(SC2=C(CNC=O)C=C1)C=CC(OC)=C3 SR271425 155990-20-8|SR271425|UNII-115755X1L7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047347
ERPathway2016 ERPathway2016_272 SR271425 155990-20-8 DTXSID8047347 ER Pathway Model, Antagonist Model Score 0 Unitless CCN(CC)CCNC1=C2C(=O)C3=C(SC2=C(CNC=O)C=C1)C=CC(OC)=C3 SR271425 155990-20-8|SR271425|UNII-115755X1L7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047347
ERPathway2016 ERPathway2016_272 SR271425 155990-20-8 DTXSID8047347 ER Pathway Model, Agonist Call Inactive Unitless CCN(CC)CCNC1=C2C(=O)C3=C(SC2=C(CNC=O)C=C1)C=CC(OC)=C3 SR271425 155990-20-8|SR271425|UNII-115755X1L7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047347
ERPathway2016 ERPathway2016_272 SR271425 155990-20-8 DTXSID8047347 ER Pathway Model, Antagonist Call Active Unitless CCN(CC)CCNC1=C2C(=O)C3=C(SC2=C(CNC=O)C=C1)C=CC(OC)=C3 SR271425 155990-20-8|SR271425|UNII-115755X1L7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047347
ARPathway2016 ARPathway2016_1723 SR58611 929601-09-2 DTXSID1047360 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless Cl.CCOC(=O)COC1=CC2=C(CCC(C2)NCC(O)C2=CC(Cl)=CC=C2)C=C1 SR58611 929601-09-2|SR58611|SR58611A https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047360
ARPathway2016 ARPathway2016_1723 SR58611 929601-09-2 DTXSID1047360 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless Cl.CCOC(=O)COC1=CC2=C(CCC(C2)NCC(O)C2=CC(Cl)=CC=C2)C=C1 SR58611 929601-09-2|SR58611|SR58611A https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047360
ARPathway2016 ARPathway2016_1723 SR58611 929601-09-2 DTXSID1047360 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless Cl.CCOC(=O)COC1=CC2=C(CCC(C2)NCC(O)C2=CC(Cl)=CC=C2)C=C1 SR58611 929601-09-2|SR58611|SR58611A https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047360
ARPathway2016 ARPathway2016_1723 SR58611 929601-09-2 DTXSID1047360 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless Cl.CCOC(=O)COC1=CC2=C(CCC(C2)NCC(O)C2=CC(Cl)=CC=C2)C=C1 SR58611 929601-09-2|SR58611|SR58611A https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047360
ERPathway2016 ERPathway2016_805 SR58611 929601-09-2 DTXSID1047360 ER Pathway Model, Agonist Model Score 0 Unitless Cl.CCOC(=O)COC1=CC2=C(CCC(C2)NCC(O)C2=CC(Cl)=CC=C2)C=C1 SR58611 929601-09-2|SR58611|SR58611A https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047360
ERPathway2016 ERPathway2016_805 SR58611 929601-09-2 DTXSID1047360 ER Pathway Model, Antagonist Model Score 0 Unitless Cl.CCOC(=O)COC1=CC2=C(CCC(C2)NCC(O)C2=CC(Cl)=CC=C2)C=C1 SR58611 929601-09-2|SR58611|SR58611A https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047360
ERPathway2016 ERPathway2016_805 SR58611 929601-09-2 DTXSID1047360 ER Pathway Model, Agonist Call Inactive Unitless Cl.CCOC(=O)COC1=CC2=C(CCC(C2)NCC(O)C2=CC(Cl)=CC=C2)C=C1 SR58611 929601-09-2|SR58611|SR58611A https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047360
ERPathway2016 ERPathway2016_805 SR58611 929601-09-2 DTXSID1047360 ER Pathway Model, Antagonist Call Inactive Unitless Cl.CCOC(=O)COC1=CC2=C(CCC(C2)NCC(O)C2=CC(Cl)=CC=C2)C=C1 SR58611 929601-09-2|SR58611|SR58611A https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047360
ARPathway2016 ARPathway2016_335 SSR 103800 1075752-90-7 DTXSID1047364 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist AC50 78.6762200362579 uM SSR 103800 1075752-90-7|SSR 103800|SSR 103800A|SSR103800 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047364
ARPathway2016 ARPathway2016_335 SSR 103800 1075752-90-7 DTXSID1047364 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist ACC 65.1286860052349 uM SSR 103800 1075752-90-7|SSR 103800|SSR 103800A|SSR103800 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047364
ARPathway2016 ARPathway2016_335 SSR 103800 1075752-90-7 DTXSID1047364 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0923 Unitless SSR 103800 1075752-90-7|SSR 103800|SSR 103800A|SSR103800 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047364
ARPathway2016 ARPathway2016_335 SSR 103800 1075752-90-7 DTXSID1047364 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless SSR 103800 1075752-90-7|SSR 103800|SSR 103800A|SSR103800 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047364
ARPathway2016 ARPathway2016_335 SSR 103800 1075752-90-7 DTXSID1047364 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist Call Active Unitless SSR 103800 1075752-90-7|SSR 103800|SSR 103800A|SSR103800 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047364
ARPathway2016 ARPathway2016_335 SSR 103800 1075752-90-7 DTXSID1047364 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless SSR 103800 1075752-90-7|SSR 103800|SSR 103800A|SSR103800 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047364
ERPathway2016 ERPathway2016_133 SSR 103800 1075752-90-7 DTXSID1047364 A3 ER Pathway Model, Agonist AC50 1.28927366892187 uM SSR 103800 1075752-90-7|SSR 103800|SSR 103800A|SSR103800 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047364
ERPathway2016 ERPathway2016_133 SSR 103800 1075752-90-7 DTXSID1047364 A3 ER Pathway Model, Agonist ACC 0.951304767206556 uM SSR 103800 1075752-90-7|SSR 103800|SSR 103800A|SSR103800 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047364
ERPathway2016 ERPathway2016_133 SSR 103800 1075752-90-7 DTXSID1047364 A3 ER Pathway Model, Agonist Model Score 0 Unitless SSR 103800 1075752-90-7|SSR 103800|SSR 103800A|SSR103800 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047364
ERPathway2016 ERPathway2016_133 SSR 103800 1075752-90-7 DTXSID1047364 A3 ER Pathway Model, Antagonist Model Score 0.0171 Unitless SSR 103800 1075752-90-7|SSR 103800|SSR 103800A|SSR103800 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047364
ERPathway2016 ERPathway2016_133 SSR 103800 1075752-90-7 DTXSID1047364 A3 ER Pathway Model, Agonist Call Active Unitless SSR 103800 1075752-90-7|SSR 103800|SSR 103800A|SSR103800 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047364
ERPathway2016 ERPathway2016_133 SSR 103800 1075752-90-7 DTXSID1047364 A3 ER Pathway Model, Antagonist Call Inactive Unitless SSR 103800 1075752-90-7|SSR 103800|SSR 103800A|SSR103800 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047364
ARPathway2016 ARPathway2016_333 SSR 240612 464930-42-5 DTXSID2047351 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 13.66622766 uM Cl.COC1=CC2=CC=C(C=C2C=C1)S(=O)(=O)N[C@H](CC(=O)N[C@H](CC1=CC=C(CN2[C@@H](C)CCC[C@H]2C)C=C1)C(=O)N(C)C(C)C)C1=CC2=C(OCO2)C=C1 SSR 240612 464930-42-5|SSR 240612|1,3-Benzodioxole-5-propanamide, N-[(1R)-1-[[4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]phenyl]methyl]-2-[methyl(1-methylethyl)amino]-2-oxoethyl]-beta-[[(6-methoxy-2-naphthalenyl)sulfonyl]amino]-, (beta R)-, hydrochloride (1:1)|D- Phenylalaninamide, (3R) - 3- (1, 3- benzodioxol- 5- yl) - N- [(6- methoxy- 2- naphthalenyl) sulfonyl] - beta- alanyl- 4- [[(2R, 6S) - 2, 6- dimethyl- 1- piperidinyl] methyl] - N- methyl- N- (1- methylethyl) - , hydrochloride (1:1)|D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-beta-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, monohydrochloride|N alpha-{(3R)-3-(2H-1,3-Benzodioxol-5-yl)-3-[(6-methoxynaphthalene-2-sulfonyl)amino]propanoyl}-4-{[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl}-N-methyl-N-propan-2-yl-D-phenylalaninamide-hydrogen chloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047351
ARPathway2016 ARPathway2016_333 SSR 240612 464930-42-5 DTXSID2047351 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 9.93970704100001 uM Cl.COC1=CC2=CC=C(C=C2C=C1)S(=O)(=O)N[C@H](CC(=O)N[C@H](CC1=CC=C(CN2[C@@H](C)CCC[C@H]2C)C=C1)C(=O)N(C)C(C)C)C1=CC2=C(OCO2)C=C1 SSR 240612 464930-42-5|SSR 240612|1,3-Benzodioxole-5-propanamide, N-[(1R)-1-[[4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]phenyl]methyl]-2-[methyl(1-methylethyl)amino]-2-oxoethyl]-beta-[[(6-methoxy-2-naphthalenyl)sulfonyl]amino]-, (beta R)-, hydrochloride (1:1)|D- Phenylalaninamide, (3R) - 3- (1, 3- benzodioxol- 5- yl) - N- [(6- methoxy- 2- naphthalenyl) sulfonyl] - beta- alanyl- 4- [[(2R, 6S) - 2, 6- dimethyl- 1- piperidinyl] methyl] - N- methyl- N- (1- methylethyl) - , hydrochloride (1:1)|D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-beta-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, monohydrochloride|N alpha-{(3R)-3-(2H-1,3-Benzodioxol-5-yl)-3-[(6-methoxynaphthalene-2-sulfonyl)amino]propanoyl}-4-{[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl}-N-methyl-N-propan-2-yl-D-phenylalaninamide-hydrogen chloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047351
ARPathway2016 ARPathway2016_333 SSR 240612 464930-42-5 DTXSID2047351 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.435 Unitless Cl.COC1=CC2=CC=C(C=C2C=C1)S(=O)(=O)N[C@H](CC(=O)N[C@H](CC1=CC=C(CN2[C@@H](C)CCC[C@H]2C)C=C1)C(=O)N(C)C(C)C)C1=CC2=C(OCO2)C=C1 SSR 240612 464930-42-5|SSR 240612|1,3-Benzodioxole-5-propanamide, N-[(1R)-1-[[4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]phenyl]methyl]-2-[methyl(1-methylethyl)amino]-2-oxoethyl]-beta-[[(6-methoxy-2-naphthalenyl)sulfonyl]amino]-, (beta R)-, hydrochloride (1:1)|D- Phenylalaninamide, (3R) - 3- (1, 3- benzodioxol- 5- yl) - N- [(6- methoxy- 2- naphthalenyl) sulfonyl] - beta- alanyl- 4- [[(2R, 6S) - 2, 6- dimethyl- 1- piperidinyl] methyl] - N- methyl- N- (1- methylethyl) - , hydrochloride (1:1)|D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-beta-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, monohydrochloride|N alpha-{(3R)-3-(2H-1,3-Benzodioxol-5-yl)-3-[(6-methoxynaphthalene-2-sulfonyl)amino]propanoyl}-4-{[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl}-N-methyl-N-propan-2-yl-D-phenylalaninamide-hydrogen chloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047351
ARPathway2016 ARPathway2016_333 SSR 240612 464930-42-5 DTXSID2047351 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0.00303 Unitless Cl.COC1=CC2=CC=C(C=C2C=C1)S(=O)(=O)N[C@H](CC(=O)N[C@H](CC1=CC=C(CN2[C@@H](C)CCC[C@H]2C)C=C1)C(=O)N(C)C(C)C)C1=CC2=C(OCO2)C=C1 SSR 240612 464930-42-5|SSR 240612|1,3-Benzodioxole-5-propanamide, N-[(1R)-1-[[4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]phenyl]methyl]-2-[methyl(1-methylethyl)amino]-2-oxoethyl]-beta-[[(6-methoxy-2-naphthalenyl)sulfonyl]amino]-, (beta R)-, hydrochloride (1:1)|D- Phenylalaninamide, (3R) - 3- (1, 3- benzodioxol- 5- yl) - N- [(6- methoxy- 2- naphthalenyl) sulfonyl] - beta- alanyl- 4- [[(2R, 6S) - 2, 6- dimethyl- 1- piperidinyl] methyl] - N- methyl- N- (1- methylethyl) - , hydrochloride (1:1)|D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-beta-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, monohydrochloride|N alpha-{(3R)-3-(2H-1,3-Benzodioxol-5-yl)-3-[(6-methoxynaphthalene-2-sulfonyl)amino]propanoyl}-4-{[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl}-N-methyl-N-propan-2-yl-D-phenylalaninamide-hydrogen chloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047351
ARPathway2016 ARPathway2016_333 SSR 240612 464930-42-5 DTXSID2047351 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Cl.COC1=CC2=CC=C(C=C2C=C1)S(=O)(=O)N[C@H](CC(=O)N[C@H](CC1=CC=C(CN2[C@@H](C)CCC[C@H]2C)C=C1)C(=O)N(C)C(C)C)C1=CC2=C(OCO2)C=C1 SSR 240612 464930-42-5|SSR 240612|1,3-Benzodioxole-5-propanamide, N-[(1R)-1-[[4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]phenyl]methyl]-2-[methyl(1-methylethyl)amino]-2-oxoethyl]-beta-[[(6-methoxy-2-naphthalenyl)sulfonyl]amino]-, (beta R)-, hydrochloride (1:1)|D- Phenylalaninamide, (3R) - 3- (1, 3- benzodioxol- 5- yl) - N- [(6- methoxy- 2- naphthalenyl) sulfonyl] - beta- alanyl- 4- [[(2R, 6S) - 2, 6- dimethyl- 1- piperidinyl] methyl] - N- methyl- N- (1- methylethyl) - , hydrochloride (1:1)|D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-beta-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, monohydrochloride|N alpha-{(3R)-3-(2H-1,3-Benzodioxol-5-yl)-3-[(6-methoxynaphthalene-2-sulfonyl)amino]propanoyl}-4-{[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl}-N-methyl-N-propan-2-yl-D-phenylalaninamide-hydrogen chloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047351
ARPathway2016 ARPathway2016_333 SSR 240612 464930-42-5 DTXSID2047351 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Cl.COC1=CC2=CC=C(C=C2C=C1)S(=O)(=O)N[C@H](CC(=O)N[C@H](CC1=CC=C(CN2[C@@H](C)CCC[C@H]2C)C=C1)C(=O)N(C)C(C)C)C1=CC2=C(OCO2)C=C1 SSR 240612 464930-42-5|SSR 240612|1,3-Benzodioxole-5-propanamide, N-[(1R)-1-[[4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]phenyl]methyl]-2-[methyl(1-methylethyl)amino]-2-oxoethyl]-beta-[[(6-methoxy-2-naphthalenyl)sulfonyl]amino]-, (beta R)-, hydrochloride (1:1)|D- Phenylalaninamide, (3R) - 3- (1, 3- benzodioxol- 5- yl) - N- [(6- methoxy- 2- naphthalenyl) sulfonyl] - beta- alanyl- 4- [[(2R, 6S) - 2, 6- dimethyl- 1- piperidinyl] methyl] - N- methyl- N- (1- methylethyl) - , hydrochloride (1:1)|D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-beta-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, monohydrochloride|N alpha-{(3R)-3-(2H-1,3-Benzodioxol-5-yl)-3-[(6-methoxynaphthalene-2-sulfonyl)amino]propanoyl}-4-{[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl}-N-methyl-N-propan-2-yl-D-phenylalaninamide-hydrogen chloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047351
ERPathway2016 ERPathway2016_46 SSR 240612 464930-42-5 DTXSID2047351 ER Pathway Model, Agonist AC50 12.521130955726 uM Cl.COC1=CC2=CC=C(C=C2C=C1)S(=O)(=O)N[C@H](CC(=O)N[C@H](CC1=CC=C(CN2[C@@H](C)CCC[C@H]2C)C=C1)C(=O)N(C)C(C)C)C1=CC2=C(OCO2)C=C1 SSR 240612 464930-42-5|SSR 240612|1,3-Benzodioxole-5-propanamide, N-[(1R)-1-[[4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]phenyl]methyl]-2-[methyl(1-methylethyl)amino]-2-oxoethyl]-beta-[[(6-methoxy-2-naphthalenyl)sulfonyl]amino]-, (beta R)-, hydrochloride (1:1)|D- Phenylalaninamide, (3R) - 3- (1, 3- benzodioxol- 5- yl) - N- [(6- methoxy- 2- naphthalenyl) sulfonyl] - beta- alanyl- 4- [[(2R, 6S) - 2, 6- dimethyl- 1- piperidinyl] methyl] - N- methyl- N- (1- methylethyl) - , hydrochloride (1:1)|D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-beta-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, monohydrochloride|N alpha-{(3R)-3-(2H-1,3-Benzodioxol-5-yl)-3-[(6-methoxynaphthalene-2-sulfonyl)amino]propanoyl}-4-{[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl}-N-methyl-N-propan-2-yl-D-phenylalaninamide-hydrogen chloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047351
ERPathway2016 ERPathway2016_46 SSR 240612 464930-42-5 DTXSID2047351 ER Pathway Model, Agonist ACC 13.228969533565 uM Cl.COC1=CC2=CC=C(C=C2C=C1)S(=O)(=O)N[C@H](CC(=O)N[C@H](CC1=CC=C(CN2[C@@H](C)CCC[C@H]2C)C=C1)C(=O)N(C)C(C)C)C1=CC2=C(OCO2)C=C1 SSR 240612 464930-42-5|SSR 240612|1,3-Benzodioxole-5-propanamide, N-[(1R)-1-[[4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]phenyl]methyl]-2-[methyl(1-methylethyl)amino]-2-oxoethyl]-beta-[[(6-methoxy-2-naphthalenyl)sulfonyl]amino]-, (beta R)-, hydrochloride (1:1)|D- Phenylalaninamide, (3R) - 3- (1, 3- benzodioxol- 5- yl) - N- [(6- methoxy- 2- naphthalenyl) sulfonyl] - beta- alanyl- 4- [[(2R, 6S) - 2, 6- dimethyl- 1- piperidinyl] methyl] - N- methyl- N- (1- methylethyl) - , hydrochloride (1:1)|D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-beta-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, monohydrochloride|N alpha-{(3R)-3-(2H-1,3-Benzodioxol-5-yl)-3-[(6-methoxynaphthalene-2-sulfonyl)amino]propanoyl}-4-{[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl}-N-methyl-N-propan-2-yl-D-phenylalaninamide-hydrogen chloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047351
ERPathway2016 ERPathway2016_46 SSR 240612 464930-42-5 DTXSID2047351 ER Pathway Model, Agonist Model Score 0.00262 Unitless Cl.COC1=CC2=CC=C(C=C2C=C1)S(=O)(=O)N[C@H](CC(=O)N[C@H](CC1=CC=C(CN2[C@@H](C)CCC[C@H]2C)C=C1)C(=O)N(C)C(C)C)C1=CC2=C(OCO2)C=C1 SSR 240612 464930-42-5|SSR 240612|1,3-Benzodioxole-5-propanamide, N-[(1R)-1-[[4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]phenyl]methyl]-2-[methyl(1-methylethyl)amino]-2-oxoethyl]-beta-[[(6-methoxy-2-naphthalenyl)sulfonyl]amino]-, (beta R)-, hydrochloride (1:1)|D- Phenylalaninamide, (3R) - 3- (1, 3- benzodioxol- 5- yl) - N- [(6- methoxy- 2- naphthalenyl) sulfonyl] - beta- alanyl- 4- [[(2R, 6S) - 2, 6- dimethyl- 1- piperidinyl] methyl] - N- methyl- N- (1- methylethyl) - , hydrochloride (1:1)|D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-beta-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, monohydrochloride|N alpha-{(3R)-3-(2H-1,3-Benzodioxol-5-yl)-3-[(6-methoxynaphthalene-2-sulfonyl)amino]propanoyl}-4-{[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl}-N-methyl-N-propan-2-yl-D-phenylalaninamide-hydrogen chloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047351
ERPathway2016 ERPathway2016_46 SSR 240612 464930-42-5 DTXSID2047351 ER Pathway Model, Antagonist Model Score 0.00904 Unitless Cl.COC1=CC2=CC=C(C=C2C=C1)S(=O)(=O)N[C@H](CC(=O)N[C@H](CC1=CC=C(CN2[C@@H](C)CCC[C@H]2C)C=C1)C(=O)N(C)C(C)C)C1=CC2=C(OCO2)C=C1 SSR 240612 464930-42-5|SSR 240612|1,3-Benzodioxole-5-propanamide, N-[(1R)-1-[[4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]phenyl]methyl]-2-[methyl(1-methylethyl)amino]-2-oxoethyl]-beta-[[(6-methoxy-2-naphthalenyl)sulfonyl]amino]-, (beta R)-, hydrochloride (1:1)|D- Phenylalaninamide, (3R) - 3- (1, 3- benzodioxol- 5- yl) - N- [(6- methoxy- 2- naphthalenyl) sulfonyl] - beta- alanyl- 4- [[(2R, 6S) - 2, 6- dimethyl- 1- piperidinyl] methyl] - N- methyl- N- (1- methylethyl) - , hydrochloride (1:1)|D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-beta-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, monohydrochloride|N alpha-{(3R)-3-(2H-1,3-Benzodioxol-5-yl)-3-[(6-methoxynaphthalene-2-sulfonyl)amino]propanoyl}-4-{[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl}-N-methyl-N-propan-2-yl-D-phenylalaninamide-hydrogen chloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047351
ERPathway2016 ERPathway2016_46 SSR 240612 464930-42-5 DTXSID2047351 ER Pathway Model, Agonist Call Active Unitless Cl.COC1=CC2=CC=C(C=C2C=C1)S(=O)(=O)N[C@H](CC(=O)N[C@H](CC1=CC=C(CN2[C@@H](C)CCC[C@H]2C)C=C1)C(=O)N(C)C(C)C)C1=CC2=C(OCO2)C=C1 SSR 240612 464930-42-5|SSR 240612|1,3-Benzodioxole-5-propanamide, N-[(1R)-1-[[4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]phenyl]methyl]-2-[methyl(1-methylethyl)amino]-2-oxoethyl]-beta-[[(6-methoxy-2-naphthalenyl)sulfonyl]amino]-, (beta R)-, hydrochloride (1:1)|D- Phenylalaninamide, (3R) - 3- (1, 3- benzodioxol- 5- yl) - N- [(6- methoxy- 2- naphthalenyl) sulfonyl] - beta- alanyl- 4- [[(2R, 6S) - 2, 6- dimethyl- 1- piperidinyl] methyl] - N- methyl- N- (1- methylethyl) - , hydrochloride (1:1)|D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-beta-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, monohydrochloride|N alpha-{(3R)-3-(2H-1,3-Benzodioxol-5-yl)-3-[(6-methoxynaphthalene-2-sulfonyl)amino]propanoyl}-4-{[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl}-N-methyl-N-propan-2-yl-D-phenylalaninamide-hydrogen chloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047351
ERPathway2016 ERPathway2016_46 SSR 240612 464930-42-5 DTXSID2047351 ER Pathway Model, Antagonist Call Inactive Unitless Cl.COC1=CC2=CC=C(C=C2C=C1)S(=O)(=O)N[C@H](CC(=O)N[C@H](CC1=CC=C(CN2[C@@H](C)CCC[C@H]2C)C=C1)C(=O)N(C)C(C)C)C1=CC2=C(OCO2)C=C1 SSR 240612 464930-42-5|SSR 240612|1,3-Benzodioxole-5-propanamide, N-[(1R)-1-[[4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]phenyl]methyl]-2-[methyl(1-methylethyl)amino]-2-oxoethyl]-beta-[[(6-methoxy-2-naphthalenyl)sulfonyl]amino]-, (beta R)-, hydrochloride (1:1)|D- Phenylalaninamide, (3R) - 3- (1, 3- benzodioxol- 5- yl) - N- [(6- methoxy- 2- naphthalenyl) sulfonyl] - beta- alanyl- 4- [[(2R, 6S) - 2, 6- dimethyl- 1- piperidinyl] methyl] - N- methyl- N- (1- methylethyl) - , hydrochloride (1:1)|D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-beta-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, monohydrochloride|N alpha-{(3R)-3-(2H-1,3-Benzodioxol-5-yl)-3-[(6-methoxynaphthalene-2-sulfonyl)amino]propanoyl}-4-{[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl}-N-methyl-N-propan-2-yl-D-phenylalaninamide-hydrogen chloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047351
ERPathway2016 ERPathway2016_87 SSR 241586 HCl NOCAS_47353 DTXSID2047353 ER Pathway Model, Agonist AC50 39.1593693998733 uM CN(C)C(=O)C1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)N1CCCCC1 SSR 241586 1239279-30-1|SSR 241586|[1, 4'- Bipiperidine] - 4'- carboxamide, 1'- [2- [(2R) - 4- benzoyl- 2- (3, 4- dichlorophenyl) - 2- morpholinyl] ethyl] - N, N- dimethyl-|1'-[2-[(2R)-4-Benzoyl-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-N,N-dimethyl[1,4'-bipiperidine]-4'-carboxamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID70891361
ERPathway2016 ERPathway2016_87 SSR 241586 HCl NOCAS_47353 DTXSID2047353 ER Pathway Model, Agonist ACC 31.226184016746 uM CN(C)C(=O)C1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)N1CCCCC1 SSR 241586 1239279-30-1|SSR 241586|[1, 4'- Bipiperidine] - 4'- carboxamide, 1'- [2- [(2R) - 4- benzoyl- 2- (3, 4- dichlorophenyl) - 2- morpholinyl] ethyl] - N, N- dimethyl-|1'-[2-[(2R)-4-Benzoyl-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-N,N-dimethyl[1,4'-bipiperidine]-4'-carboxamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID70891361
ERPathway2016 ERPathway2016_87 SSR 241586 HCl NOCAS_47353 DTXSID2047353 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)C(=O)C1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)N1CCCCC1 SSR 241586 1239279-30-1|SSR 241586|[1, 4'- Bipiperidine] - 4'- carboxamide, 1'- [2- [(2R) - 4- benzoyl- 2- (3, 4- dichlorophenyl) - 2- morpholinyl] ethyl] - N, N- dimethyl-|1'-[2-[(2R)-4-Benzoyl-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-N,N-dimethyl[1,4'-bipiperidine]-4'-carboxamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID70891361
ERPathway2016 ERPathway2016_87 SSR 241586 HCl NOCAS_47353 DTXSID2047353 ER Pathway Model, Antagonist Model Score 0.0255 Unitless CN(C)C(=O)C1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)N1CCCCC1 SSR 241586 1239279-30-1|SSR 241586|[1, 4'- Bipiperidine] - 4'- carboxamide, 1'- [2- [(2R) - 4- benzoyl- 2- (3, 4- dichlorophenyl) - 2- morpholinyl] ethyl] - N, N- dimethyl-|1'-[2-[(2R)-4-Benzoyl-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-N,N-dimethyl[1,4'-bipiperidine]-4'-carboxamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID70891361
ERPathway2016 ERPathway2016_87 SSR 241586 HCl NOCAS_47353 DTXSID2047353 ER Pathway Model, Agonist Call Active Unitless CN(C)C(=O)C1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)N1CCCCC1 SSR 241586 1239279-30-1|SSR 241586|[1, 4'- Bipiperidine] - 4'- carboxamide, 1'- [2- [(2R) - 4- benzoyl- 2- (3, 4- dichlorophenyl) - 2- morpholinyl] ethyl] - N, N- dimethyl-|1'-[2-[(2R)-4-Benzoyl-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-N,N-dimethyl[1,4'-bipiperidine]-4'-carboxamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID70891361
ERPathway2016 ERPathway2016_87 SSR 241586 HCl NOCAS_47353 DTXSID2047353 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)C(=O)C1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)N1CCCCC1 SSR 241586 1239279-30-1|SSR 241586|[1, 4'- Bipiperidine] - 4'- carboxamide, 1'- [2- [(2R) - 4- benzoyl- 2- (3, 4- dichlorophenyl) - 2- morpholinyl] ethyl] - N, N- dimethyl-|1'-[2-[(2R)-4-Benzoyl-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-N,N-dimethyl[1,4'-bipiperidine]-4'-carboxamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID70891361
ARPathway2016 ARPathway2016_334 SSR 241586 HCl NOCAS_47353 DTXSID2047353 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 15.41172881 uM Cl.CN(C)C(=O)C1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)N1CCCCC1 SSR 241586 HCl NOCAS_47353|SSR 241586 HCl|[1,4'-Bipiperidine]-4'-carboxamide, 1'-[2-[(2R)-4-benzoyl-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-N,N-dimethyl-, hydrochloride (1:1)|1'-{2-[(2R)-4-Benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl}-N,N-dimethyl[1,4'-bipiperidine]-4'-carboxamide-hydrogen chloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047353
ARPathway2016 ARPathway2016_334 SSR 241586 HCl NOCAS_47353 DTXSID2047353 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 10.62581699 uM Cl.CN(C)C(=O)C1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)N1CCCCC1 SSR 241586 HCl NOCAS_47353|SSR 241586 HCl|[1,4'-Bipiperidine]-4'-carboxamide, 1'-[2-[(2R)-4-benzoyl-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-N,N-dimethyl-, hydrochloride (1:1)|1'-{2-[(2R)-4-Benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl}-N,N-dimethyl[1,4'-bipiperidine]-4'-carboxamide-hydrogen chloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047353
ARPathway2016 ARPathway2016_334 SSR 241586 HCl NOCAS_47353 DTXSID2047353 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.329 Unitless Cl.CN(C)C(=O)C1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)N1CCCCC1 SSR 241586 HCl NOCAS_47353|SSR 241586 HCl|[1,4'-Bipiperidine]-4'-carboxamide, 1'-[2-[(2R)-4-benzoyl-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-N,N-dimethyl-, hydrochloride (1:1)|1'-{2-[(2R)-4-Benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl}-N,N-dimethyl[1,4'-bipiperidine]-4'-carboxamide-hydrogen chloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047353
ARPathway2016 ARPathway2016_334 SSR 241586 HCl NOCAS_47353 DTXSID2047353 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless Cl.CN(C)C(=O)C1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)N1CCCCC1 SSR 241586 HCl NOCAS_47353|SSR 241586 HCl|[1,4'-Bipiperidine]-4'-carboxamide, 1'-[2-[(2R)-4-benzoyl-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-N,N-dimethyl-, hydrochloride (1:1)|1'-{2-[(2R)-4-Benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl}-N,N-dimethyl[1,4'-bipiperidine]-4'-carboxamide-hydrogen chloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047353
ARPathway2016 ARPathway2016_334 SSR 241586 HCl NOCAS_47353 DTXSID2047353 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless Cl.CN(C)C(=O)C1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)N1CCCCC1 SSR 241586 HCl NOCAS_47353|SSR 241586 HCl|[1,4'-Bipiperidine]-4'-carboxamide, 1'-[2-[(2R)-4-benzoyl-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-N,N-dimethyl-, hydrochloride (1:1)|1'-{2-[(2R)-4-Benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl}-N,N-dimethyl[1,4'-bipiperidine]-4'-carboxamide-hydrogen chloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047353
ARPathway2016 ARPathway2016_334 SSR 241586 HCl NOCAS_47353 DTXSID2047353 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless Cl.CN(C)C(=O)C1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC=C(Cl)C(Cl)=C2)CC1)N1CCCCC1 SSR 241586 HCl NOCAS_47353|SSR 241586 HCl|[1,4'-Bipiperidine]-4'-carboxamide, 1'-[2-[(2R)-4-benzoyl-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-N,N-dimethyl-, hydrochloride (1:1)|1'-{2-[(2R)-4-Benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl}-N,N-dimethyl[1,4'-bipiperidine]-4'-carboxamide-hydrogen chloride (1:1) https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047353
ARPathway2016 ARPathway2016_1076 SSR146977 264618-44-2 DTXSID8047341 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(=O)NC1(CCN(CCC[C@@]2(CCCN(C2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)C1=CC=CC=C1 SSR146977 264618-44-2|SSR146977|(R)-(+)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-(N',N'-dimethylureido)-4-phenylpiperidin-1-yl]propyl]piperidine|N'-[1-[3-[(3R)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]propyl]-4-phenyl-4-piperidinyl]-N,N-dimethylurea|Piperidine, 1-benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-[[(dimethylamino)carbonyl]amino]-4-phenyl-1-piperidinyl]propyl]-, (3R)-|Urea, N'- [1- [3- [(3R) - 1- benzoyl- 3- (3, 4- dichlorophenyl) - 3- piperidinyl] propyl] - 4- phenyl- 4- piperidinyl] - N, N- dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047341
ARPathway2016 ARPathway2016_1076 SSR146977 264618-44-2 DTXSID8047341 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C(=O)NC1(CCN(CCC[C@@]2(CCCN(C2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)C1=CC=CC=C1 SSR146977 264618-44-2|SSR146977|(R)-(+)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-(N',N'-dimethylureido)-4-phenylpiperidin-1-yl]propyl]piperidine|N'-[1-[3-[(3R)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]propyl]-4-phenyl-4-piperidinyl]-N,N-dimethylurea|Piperidine, 1-benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-[[(dimethylamino)carbonyl]amino]-4-phenyl-1-piperidinyl]propyl]-, (3R)-|Urea, N'- [1- [3- [(3R) - 1- benzoyl- 3- (3, 4- dichlorophenyl) - 3- piperidinyl] propyl] - 4- phenyl- 4- piperidinyl] - N, N- dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047341
ARPathway2016 ARPathway2016_1076 SSR146977 264618-44-2 DTXSID8047341 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CN(C)C(=O)NC1(CCN(CCC[C@@]2(CCCN(C2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)C1=CC=CC=C1 SSR146977 264618-44-2|SSR146977|(R)-(+)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-(N',N'-dimethylureido)-4-phenylpiperidin-1-yl]propyl]piperidine|N'-[1-[3-[(3R)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]propyl]-4-phenyl-4-piperidinyl]-N,N-dimethylurea|Piperidine, 1-benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-[[(dimethylamino)carbonyl]amino]-4-phenyl-1-piperidinyl]propyl]-, (3R)-|Urea, N'- [1- [3- [(3R) - 1- benzoyl- 3- (3, 4- dichlorophenyl) - 3- piperidinyl] propyl] - 4- phenyl- 4- piperidinyl] - N, N- dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047341
ARPathway2016 ARPathway2016_1076 SSR146977 264618-44-2 DTXSID8047341 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C(=O)NC1(CCN(CCC[C@@]2(CCCN(C2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)C1=CC=CC=C1 SSR146977 264618-44-2|SSR146977|(R)-(+)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-(N',N'-dimethylureido)-4-phenylpiperidin-1-yl]propyl]piperidine|N'-[1-[3-[(3R)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]propyl]-4-phenyl-4-piperidinyl]-N,N-dimethylurea|Piperidine, 1-benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-[[(dimethylamino)carbonyl]amino]-4-phenyl-1-piperidinyl]propyl]-, (3R)-|Urea, N'- [1- [3- [(3R) - 1- benzoyl- 3- (3, 4- dichlorophenyl) - 3- piperidinyl] propyl] - 4- phenyl- 4- piperidinyl] - N, N- dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047341
ERPathway2016 ERPathway2016_777 SSR146977 264618-44-2 DTXSID8047341 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)C(=O)NC1(CCN(CCC[C@@]2(CCCN(C2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)C1=CC=CC=C1 SSR146977 264618-44-2|SSR146977|(R)-(+)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-(N',N'-dimethylureido)-4-phenylpiperidin-1-yl]propyl]piperidine|N'-[1-[3-[(3R)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]propyl]-4-phenyl-4-piperidinyl]-N,N-dimethylurea|Piperidine, 1-benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-[[(dimethylamino)carbonyl]amino]-4-phenyl-1-piperidinyl]propyl]-, (3R)-|Urea, N'- [1- [3- [(3R) - 1- benzoyl- 3- (3, 4- dichlorophenyl) - 3- piperidinyl] propyl] - 4- phenyl- 4- piperidinyl] - N, N- dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047341
ERPathway2016 ERPathway2016_777 SSR146977 264618-44-2 DTXSID8047341 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C(=O)NC1(CCN(CCC[C@@]2(CCCN(C2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)C1=CC=CC=C1 SSR146977 264618-44-2|SSR146977|(R)-(+)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-(N',N'-dimethylureido)-4-phenylpiperidin-1-yl]propyl]piperidine|N'-[1-[3-[(3R)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]propyl]-4-phenyl-4-piperidinyl]-N,N-dimethylurea|Piperidine, 1-benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-[[(dimethylamino)carbonyl]amino]-4-phenyl-1-piperidinyl]propyl]-, (3R)-|Urea, N'- [1- [3- [(3R) - 1- benzoyl- 3- (3, 4- dichlorophenyl) - 3- piperidinyl] propyl] - 4- phenyl- 4- piperidinyl] - N, N- dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047341
ERPathway2016 ERPathway2016_777 SSR146977 264618-44-2 DTXSID8047341 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C(=O)NC1(CCN(CCC[C@@]2(CCCN(C2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)C1=CC=CC=C1 SSR146977 264618-44-2|SSR146977|(R)-(+)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-(N',N'-dimethylureido)-4-phenylpiperidin-1-yl]propyl]piperidine|N'-[1-[3-[(3R)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]propyl]-4-phenyl-4-piperidinyl]-N,N-dimethylurea|Piperidine, 1-benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-[[(dimethylamino)carbonyl]amino]-4-phenyl-1-piperidinyl]propyl]-, (3R)-|Urea, N'- [1- [3- [(3R) - 1- benzoyl- 3- (3, 4- dichlorophenyl) - 3- piperidinyl] propyl] - 4- phenyl- 4- piperidinyl] - N, N- dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047341
ERPathway2016 ERPathway2016_777 SSR146977 264618-44-2 DTXSID8047341 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)C(=O)NC1(CCN(CCC[C@@]2(CCCN(C2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)C1=CC=CC=C1 SSR146977 264618-44-2|SSR146977|(R)-(+)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-(N',N'-dimethylureido)-4-phenylpiperidin-1-yl]propyl]piperidine|N'-[1-[3-[(3R)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]propyl]-4-phenyl-4-piperidinyl]-N,N-dimethylurea|Piperidine, 1-benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-[[(dimethylamino)carbonyl]amino]-4-phenyl-1-piperidinyl]propyl]-, (3R)-|Urea, N'- [1- [3- [(3R) - 1- benzoyl- 3- (3, 4- dichlorophenyl) - 3- piperidinyl] propyl] - 4- phenyl- 4- piperidinyl] - N, N- dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8047341
ARPathway2016 ARPathway2016_1844 SSR150106 NOCAS_47362 DTXSID1047362 FLAG: Wrong direction (Hit/No hit) 0.0 A10 AR Pathway Model, Antagonist Model Score 0.01 Unitless CCOC(=O)[C@@]1(OC2=CC=CC=C2[C@@H]1N)C1=CC=CC=C1 SSR150106 NOCAS_47362|SSR150106|SAR150106 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047362
ARPathway2016 ARPathway2016_1844 SSR150106 NOCAS_47362 DTXSID1047362 FLAG: Wrong direction (Hit/No hit) 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)[C@@]1(OC2=CC=CC=C2[C@@H]1N)C1=CC=CC=C1 SSR150106 NOCAS_47362|SSR150106|SAR150106 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047362
ARPathway2016 ARPathway2016_1844 SSR150106 NOCAS_47362 DTXSID1047362 FLAG: Wrong direction (Hit/No hit) 0.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)[C@@]1(OC2=CC=CC=C2[C@@H]1N)C1=CC=CC=C1 SSR150106 NOCAS_47362|SSR150106|SAR150106 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047362
ARPathway2016 ARPathway2016_1844 SSR150106 NOCAS_47362 DTXSID1047362 FLAG: Wrong direction (Hit/No hit) 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)[C@@]1(OC2=CC=CC=C2[C@@H]1N)C1=CC=CC=C1 SSR150106 NOCAS_47362|SSR150106|SAR150106 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047362
ERPathway2016 ERPathway2016_869 SSR150106 NOCAS_47362 DTXSID1047362 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)[C@@]1(OC2=CC=CC=C2[C@@H]1N)C1=CC=CC=C1 SSR150106 NOCAS_47362|SSR150106|SAR150106 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047362
ERPathway2016 ERPathway2016_869 SSR150106 NOCAS_47362 DTXSID1047362 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)[C@@]1(OC2=CC=CC=C2[C@@H]1N)C1=CC=CC=C1 SSR150106 NOCAS_47362|SSR150106|SAR150106 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047362
ERPathway2016 ERPathway2016_869 SSR150106 NOCAS_47362 DTXSID1047362 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)[C@@]1(OC2=CC=CC=C2[C@@H]1N)C1=CC=CC=C1 SSR150106 NOCAS_47362|SSR150106|SAR150106 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047362
ERPathway2016 ERPathway2016_869 SSR150106 NOCAS_47362 DTXSID1047362 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)[C@@]1(OC2=CC=CC=C2[C@@H]1N)C1=CC=CC=C1 SSR150106 NOCAS_47362|SSR150106|SAR150106 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047362
ARPathway2016 ARPathway2016_337 SSR161421 477706-73-3 DTXSID5047374 1.0 A10 AR Pathway Model, Agonist AC50 32.513120714783 uM COC1=CC=C(C=C1)C(=O)NC1=NC2=C(C=CC=C2)C(NCC2=CC=CC=C2)=C1C#N SSR161421 477706-73-3|SSR161421|4-Methoxy-N-[4-(benzylamino)-3-cyanoquinolin-2-yl]benzamide|Benzamide, N- [3- cyano- 4- [(phenylmethyl) amino] - 2- quinolinyl] - 4- methoxy-|N-[3-Cyano-4-[(phenylmethyl)amino]-2-quinolinyl]-4-methoxybenzamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047374
ARPathway2016 ARPathway2016_337 SSR161421 477706-73-3 DTXSID5047374 1.0 A10 AR Pathway Model, Agonist ACC 38.4145140374948 uM COC1=CC=C(C=C1)C(=O)NC1=NC2=C(C=CC=C2)C(NCC2=CC=CC=C2)=C1C#N SSR161421 477706-73-3|SSR161421|4-Methoxy-N-[4-(benzylamino)-3-cyanoquinolin-2-yl]benzamide|Benzamide, N- [3- cyano- 4- [(phenylmethyl) amino] - 2- quinolinyl] - 4- methoxy-|N-[3-Cyano-4-[(phenylmethyl)amino]-2-quinolinyl]-4-methoxybenzamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047374
ARPathway2016 ARPathway2016_337 SSR161421 477706-73-3 DTXSID5047374 1.0 A10 AR Pathway Model, Antagonist Model Score 0.0138 Unitless COC1=CC=C(C=C1)C(=O)NC1=NC2=C(C=CC=C2)C(NCC2=CC=CC=C2)=C1C#N SSR161421 477706-73-3|SSR161421|4-Methoxy-N-[4-(benzylamino)-3-cyanoquinolin-2-yl]benzamide|Benzamide, N- [3- cyano- 4- [(phenylmethyl) amino] - 2- quinolinyl] - 4- methoxy-|N-[3-Cyano-4-[(phenylmethyl)amino]-2-quinolinyl]-4-methoxybenzamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047374
ARPathway2016 ARPathway2016_337 SSR161421 477706-73-3 DTXSID5047374 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(C=C1)C(=O)NC1=NC2=C(C=CC=C2)C(NCC2=CC=CC=C2)=C1C#N SSR161421 477706-73-3|SSR161421|4-Methoxy-N-[4-(benzylamino)-3-cyanoquinolin-2-yl]benzamide|Benzamide, N- [3- cyano- 4- [(phenylmethyl) amino] - 2- quinolinyl] - 4- methoxy-|N-[3-Cyano-4-[(phenylmethyl)amino]-2-quinolinyl]-4-methoxybenzamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047374
ARPathway2016 ARPathway2016_337 SSR161421 477706-73-3 DTXSID5047374 1.0 A10 AR Pathway Model, Agonist Call Active Unitless COC1=CC=C(C=C1)C(=O)NC1=NC2=C(C=CC=C2)C(NCC2=CC=CC=C2)=C1C#N SSR161421 477706-73-3|SSR161421|4-Methoxy-N-[4-(benzylamino)-3-cyanoquinolin-2-yl]benzamide|Benzamide, N- [3- cyano- 4- [(phenylmethyl) amino] - 2- quinolinyl] - 4- methoxy-|N-[3-Cyano-4-[(phenylmethyl)amino]-2-quinolinyl]-4-methoxybenzamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047374
ARPathway2016 ARPathway2016_337 SSR161421 477706-73-3 DTXSID5047374 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(C=C1)C(=O)NC1=NC2=C(C=CC=C2)C(NCC2=CC=CC=C2)=C1C#N SSR161421 477706-73-3|SSR161421|4-Methoxy-N-[4-(benzylamino)-3-cyanoquinolin-2-yl]benzamide|Benzamide, N- [3- cyano- 4- [(phenylmethyl) amino] - 2- quinolinyl] - 4- methoxy-|N-[3-Cyano-4-[(phenylmethyl)amino]-2-quinolinyl]-4-methoxybenzamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047374
ERPathway2016 ERPathway2016_546 SSR161421 477706-73-3 DTXSID5047374 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(C=C1)C(=O)NC1=NC2=C(C=CC=C2)C(NCC2=CC=CC=C2)=C1C#N SSR161421 477706-73-3|SSR161421|4-Methoxy-N-[4-(benzylamino)-3-cyanoquinolin-2-yl]benzamide|Benzamide, N- [3- cyano- 4- [(phenylmethyl) amino] - 2- quinolinyl] - 4- methoxy-|N-[3-Cyano-4-[(phenylmethyl)amino]-2-quinolinyl]-4-methoxybenzamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047374
ERPathway2016 ERPathway2016_546 SSR161421 477706-73-3 DTXSID5047374 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(C=C1)C(=O)NC1=NC2=C(C=CC=C2)C(NCC2=CC=CC=C2)=C1C#N SSR161421 477706-73-3|SSR161421|4-Methoxy-N-[4-(benzylamino)-3-cyanoquinolin-2-yl]benzamide|Benzamide, N- [3- cyano- 4- [(phenylmethyl) amino] - 2- quinolinyl] - 4- methoxy-|N-[3-Cyano-4-[(phenylmethyl)amino]-2-quinolinyl]-4-methoxybenzamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047374
ERPathway2016 ERPathway2016_546 SSR161421 477706-73-3 DTXSID5047374 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(C=C1)C(=O)NC1=NC2=C(C=CC=C2)C(NCC2=CC=CC=C2)=C1C#N SSR161421 477706-73-3|SSR161421|4-Methoxy-N-[4-(benzylamino)-3-cyanoquinolin-2-yl]benzamide|Benzamide, N- [3- cyano- 4- [(phenylmethyl) amino] - 2- quinolinyl] - 4- methoxy-|N-[3-Cyano-4-[(phenylmethyl)amino]-2-quinolinyl]-4-methoxybenzamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047374
ERPathway2016 ERPathway2016_546 SSR161421 477706-73-3 DTXSID5047374 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(C=C1)C(=O)NC1=NC2=C(C=CC=C2)C(NCC2=CC=CC=C2)=C1C#N SSR161421 477706-73-3|SSR161421|4-Methoxy-N-[4-(benzylamino)-3-cyanoquinolin-2-yl]benzamide|Benzamide, N- [3- cyano- 4- [(phenylmethyl) amino] - 2- quinolinyl] - 4- methoxy-|N-[3-Cyano-4-[(phenylmethyl)amino]-2-quinolinyl]-4-methoxybenzamide https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047374
ARPathway2016 ARPathway2016_1843 SSR162369 NOCAS_47346 DTXSID3047346 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC1CC2CCC(C1)N2C1=NC=CC=N1 SSR162369 NOCAS_47346|SSR162369 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047346
ARPathway2016 ARPathway2016_1843 SSR162369 NOCAS_47346 DTXSID3047346 0.0 AR Pathway Model, Agonist Model Score 0 Unitless FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC1CC2CCC(C1)N2C1=NC=CC=N1 SSR162369 NOCAS_47346|SSR162369 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047346
ARPathway2016 ARPathway2016_1843 SSR162369 NOCAS_47346 DTXSID3047346 0.0 AR Pathway Model, Agonist Call Inactive Unitless FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC1CC2CCC(C1)N2C1=NC=CC=N1 SSR162369 NOCAS_47346|SSR162369 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047346
ARPathway2016 ARPathway2016_1843 SSR162369 NOCAS_47346 DTXSID3047346 0.0 AR Pathway Model, Antagonist Call Inactive Unitless FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC1CC2CCC(C1)N2C1=NC=CC=N1 SSR162369 NOCAS_47346|SSR162369 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047346
ERPathway2016 ERPathway2016_530 SSR162369 NOCAS_47346 DTXSID3047346 R8 ER Pathway Model, Agonist Model Score 0 Unitless FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC1CC2CCC(C1)N2C1=NC=CC=N1 SSR162369 NOCAS_47346|SSR162369 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047346
ERPathway2016 ERPathway2016_530 SSR162369 NOCAS_47346 DTXSID3047346 R8 ER Pathway Model, Antagonist Model Score 0 Unitless FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC1CC2CCC(C1)N2C1=NC=CC=N1 SSR162369 NOCAS_47346|SSR162369 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047346
ERPathway2016 ERPathway2016_530 SSR162369 NOCAS_47346 DTXSID3047346 R8 ER Pathway Model, Agonist Call Inactive Unitless FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC1CC2CCC(C1)N2C1=NC=CC=N1 SSR162369 NOCAS_47346|SSR162369 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047346
ERPathway2016 ERPathway2016_530 SSR162369 NOCAS_47346 DTXSID3047346 R8 ER Pathway Model, Antagonist Call Inactive Unitless FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC1CC2CCC(C1)N2C1=NC=CC=N1 SSR162369 NOCAS_47346|SSR162369 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047346
ARPathway2016 ARPathway2016_267 SSR504734 742693-38-5 DTXSID3047348 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 33.8513609939888 uM FC(F)(F)C1=CC=CC(C(=O)N[C@H]([C@@H]2CCCCN2)C2=CC=CC=C2)=C1Cl SSR504734 742693-38-5|SSR504734 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047348
ARPathway2016 ARPathway2016_267 SSR504734 742693-38-5 DTXSID3047348 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 32.5428608446612 uM FC(F)(F)C1=CC=CC(C(=O)N[C@H]([C@@H]2CCCCN2)C2=CC=CC=C2)=C1Cl SSR504734 742693-38-5|SSR504734 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047348
ARPathway2016 ARPathway2016_267 SSR504734 742693-38-5 DTXSID3047348 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.177 Unitless FC(F)(F)C1=CC=CC(C(=O)N[C@H]([C@@H]2CCCCN2)C2=CC=CC=C2)=C1Cl SSR504734 742693-38-5|SSR504734 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047348
ARPathway2016 ARPathway2016_267 SSR504734 742693-38-5 DTXSID3047348 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless FC(F)(F)C1=CC=CC(C(=O)N[C@H]([C@@H]2CCCCN2)C2=CC=CC=C2)=C1Cl SSR504734 742693-38-5|SSR504734 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047348
ARPathway2016 ARPathway2016_267 SSR504734 742693-38-5 DTXSID3047348 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless FC(F)(F)C1=CC=CC(C(=O)N[C@H]([C@@H]2CCCCN2)C2=CC=CC=C2)=C1Cl SSR504734 742693-38-5|SSR504734 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047348
ARPathway2016 ARPathway2016_267 SSR504734 742693-38-5 DTXSID3047348 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless FC(F)(F)C1=CC=CC(C(=O)N[C@H]([C@@H]2CCCCN2)C2=CC=CC=C2)=C1Cl SSR504734 742693-38-5|SSR504734 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047348
ERPathway2016 ERPathway2016_601 SSR504734 742693-38-5 DTXSID3047348 ER Pathway Model, Agonist Model Score 0 Unitless FC(F)(F)C1=CC=CC(C(=O)N[C@H]([C@@H]2CCCCN2)C2=CC=CC=C2)=C1Cl SSR504734 742693-38-5|SSR504734 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047348
ERPathway2016 ERPathway2016_601 SSR504734 742693-38-5 DTXSID3047348 ER Pathway Model, Antagonist Model Score 0 Unitless FC(F)(F)C1=CC=CC(C(=O)N[C@H]([C@@H]2CCCCN2)C2=CC=CC=C2)=C1Cl SSR504734 742693-38-5|SSR504734 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047348
ERPathway2016 ERPathway2016_601 SSR504734 742693-38-5 DTXSID3047348 ER Pathway Model, Agonist Call Inactive Unitless FC(F)(F)C1=CC=CC(C(=O)N[C@H]([C@@H]2CCCCN2)C2=CC=CC=C2)=C1Cl SSR504734 742693-38-5|SSR504734 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047348
ERPathway2016 ERPathway2016_601 SSR504734 742693-38-5 DTXSID3047348 ER Pathway Model, Antagonist Call Inactive Unitless FC(F)(F)C1=CC=CC(C(=O)N[C@H]([C@@H]2CCCCN2)C2=CC=CC=C2)=C1Cl SSR504734 742693-38-5|SSR504734 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047348
ARPathway2016 ARPathway2016_1159 SSR69071 344930-95-6 DTXSID1047368 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC2=C(C(=O)N(COC3=CC(=O)N4C=CC=C(OCCN5CCCCC5)C4=N3)S2(=O)=O)C(=C1)C(C)C SSR69071 344930-95-6|SSR69071 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047368
ARPathway2016 ARPathway2016_1159 SSR69071 344930-95-6 DTXSID1047368 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC2=C(C(=O)N(COC3=CC(=O)N4C=CC=C(OCCN5CCCCC5)C4=N3)S2(=O)=O)C(=C1)C(C)C SSR69071 344930-95-6|SSR69071 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047368
ARPathway2016 ARPathway2016_1159 SSR69071 344930-95-6 DTXSID1047368 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC2=C(C(=O)N(COC3=CC(=O)N4C=CC=C(OCCN5CCCCC5)C4=N3)S2(=O)=O)C(=C1)C(C)C SSR69071 344930-95-6|SSR69071 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047368
ARPathway2016 ARPathway2016_1159 SSR69071 344930-95-6 DTXSID1047368 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC2=C(C(=O)N(COC3=CC(=O)N4C=CC=C(OCCN5CCCCC5)C4=N3)S2(=O)=O)C(=C1)C(C)C SSR69071 344930-95-6|SSR69071 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047368
ERPathway2016 ERPathway2016_514 SSR69071 344930-95-6 DTXSID1047368 A12 ER Pathway Model, Agonist Model Score 0 Unitless COC1=CC2=C(C(=O)N(COC3=CC(=O)N4C=CC=C(OCCN5CCCCC5)C4=N3)S2(=O)=O)C(=C1)C(C)C SSR69071 344930-95-6|SSR69071 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047368
ERPathway2016 ERPathway2016_514 SSR69071 344930-95-6 DTXSID1047368 A12 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC2=C(C(=O)N(COC3=CC(=O)N4C=CC=C(OCCN5CCCCC5)C4=N3)S2(=O)=O)C(=C1)C(C)C SSR69071 344930-95-6|SSR69071 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047368
ERPathway2016 ERPathway2016_514 SSR69071 344930-95-6 DTXSID1047368 A12 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC2=C(C(=O)N(COC3=CC(=O)N4C=CC=C(OCCN5CCCCC5)C4=N3)S2(=O)=O)C(=C1)C(C)C SSR69071 344930-95-6|SSR69071 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047368
ERPathway2016 ERPathway2016_514 SSR69071 344930-95-6 DTXSID1047368 A12 ER Pathway Model, Antagonist Call Inactive Unitless COC1=CC2=C(C(=O)N(COC3=CC(=O)N4C=CC=C(OCCN5CCCCC5)C4=N3)S2(=O)=O)C(=C1)C(C)C SSR69071 344930-95-6|SSR69071 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047368
ARPathway2016 ARPathway2016_1130 Stavudine 3056-17-5 DTXSID1023819 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O Stavudine 3056-17-5|Stavudine|1-(2,3-Dideoxy-beta-D-glycero-pent-2-enofuranosyl)thymine|2'-Thymidinene, 3'-deoxy-|2',3'-didehydro-3'-deoxythymidine|3'-Deoxy-2'-thymidinene|3'-Deoxy-2',3'-didehydrothymidine|BRN 0618327|Dideoxydidehydrothymidine|Estavudina|NSC 163661|Sanilvudine|Stavudinum|STV|Thymidine, 2',3'-didehydro-3'-deoxy-|Thymine, 1-(2,3-dideoxy-beta-D-glycero-pent-2-enofuranosyl)- (7CI,8CI)|UNII-BO9LE4QFZF|Zerit XR|Zerut XR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023819 https://doi.org/10.22427/NTP-DATA-DTXSID1023819
ARPathway2016 ARPathway2016_1130 Stavudine 3056-17-5 DTXSID1023819 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O Stavudine 3056-17-5|Stavudine|1-(2,3-Dideoxy-beta-D-glycero-pent-2-enofuranosyl)thymine|2'-Thymidinene, 3'-deoxy-|2',3'-didehydro-3'-deoxythymidine|3'-Deoxy-2'-thymidinene|3'-Deoxy-2',3'-didehydrothymidine|BRN 0618327|Dideoxydidehydrothymidine|Estavudina|NSC 163661|Sanilvudine|Stavudinum|STV|Thymidine, 2',3'-didehydro-3'-deoxy-|Thymine, 1-(2,3-dideoxy-beta-D-glycero-pent-2-enofuranosyl)- (7CI,8CI)|UNII-BO9LE4QFZF|Zerit XR|Zerut XR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023819 https://doi.org/10.22427/NTP-DATA-DTXSID1023819
ARPathway2016 ARPathway2016_1130 Stavudine 3056-17-5 DTXSID1023819 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O Stavudine 3056-17-5|Stavudine|1-(2,3-Dideoxy-beta-D-glycero-pent-2-enofuranosyl)thymine|2'-Thymidinene, 3'-deoxy-|2',3'-didehydro-3'-deoxythymidine|3'-Deoxy-2'-thymidinene|3'-Deoxy-2',3'-didehydrothymidine|BRN 0618327|Dideoxydidehydrothymidine|Estavudina|NSC 163661|Sanilvudine|Stavudinum|STV|Thymidine, 2',3'-didehydro-3'-deoxy-|Thymine, 1-(2,3-dideoxy-beta-D-glycero-pent-2-enofuranosyl)- (7CI,8CI)|UNII-BO9LE4QFZF|Zerit XR|Zerut XR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023819 https://doi.org/10.22427/NTP-DATA-DTXSID1023819
ARPathway2016 ARPathway2016_1130 Stavudine 3056-17-5 DTXSID1023819 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O Stavudine 3056-17-5|Stavudine|1-(2,3-Dideoxy-beta-D-glycero-pent-2-enofuranosyl)thymine|2'-Thymidinene, 3'-deoxy-|2',3'-didehydro-3'-deoxythymidine|3'-Deoxy-2'-thymidinene|3'-Deoxy-2',3'-didehydrothymidine|BRN 0618327|Dideoxydidehydrothymidine|Estavudina|NSC 163661|Sanilvudine|Stavudinum|STV|Thymidine, 2',3'-didehydro-3'-deoxy-|Thymine, 1-(2,3-dideoxy-beta-D-glycero-pent-2-enofuranosyl)- (7CI,8CI)|UNII-BO9LE4QFZF|Zerit XR|Zerut XR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023819 https://doi.org/10.22427/NTP-DATA-DTXSID1023819
ERPathway2016 ERPathway2016_1445 Stavudine 3056-17-5 DTXSID1023819 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O Stavudine 3056-17-5|Stavudine|1-(2,3-Dideoxy-beta-D-glycero-pent-2-enofuranosyl)thymine|2'-Thymidinene, 3'-deoxy-|2',3'-didehydro-3'-deoxythymidine|3'-Deoxy-2'-thymidinene|3'-Deoxy-2',3'-didehydrothymidine|BRN 0618327|Dideoxydidehydrothymidine|Estavudina|NSC 163661|Sanilvudine|Stavudinum|STV|Thymidine, 2',3'-didehydro-3'-deoxy-|Thymine, 1-(2,3-dideoxy-beta-D-glycero-pent-2-enofuranosyl)- (7CI,8CI)|UNII-BO9LE4QFZF|Zerit XR|Zerut XR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023819 https://doi.org/10.22427/NTP-DATA-DTXSID1023819
ERPathway2016 ERPathway2016_1445 Stavudine 3056-17-5 DTXSID1023819 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O Stavudine 3056-17-5|Stavudine|1-(2,3-Dideoxy-beta-D-glycero-pent-2-enofuranosyl)thymine|2'-Thymidinene, 3'-deoxy-|2',3'-didehydro-3'-deoxythymidine|3'-Deoxy-2'-thymidinene|3'-Deoxy-2',3'-didehydrothymidine|BRN 0618327|Dideoxydidehydrothymidine|Estavudina|NSC 163661|Sanilvudine|Stavudinum|STV|Thymidine, 2',3'-didehydro-3'-deoxy-|Thymine, 1-(2,3-dideoxy-beta-D-glycero-pent-2-enofuranosyl)- (7CI,8CI)|UNII-BO9LE4QFZF|Zerit XR|Zerut XR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023819 https://doi.org/10.22427/NTP-DATA-DTXSID1023819
ERPathway2016 ERPathway2016_1445 Stavudine 3056-17-5 DTXSID1023819 ER Pathway Model, Agonist Call Inactive Unitless CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O Stavudine 3056-17-5|Stavudine|1-(2,3-Dideoxy-beta-D-glycero-pent-2-enofuranosyl)thymine|2'-Thymidinene, 3'-deoxy-|2',3'-didehydro-3'-deoxythymidine|3'-Deoxy-2'-thymidinene|3'-Deoxy-2',3'-didehydrothymidine|BRN 0618327|Dideoxydidehydrothymidine|Estavudina|NSC 163661|Sanilvudine|Stavudinum|STV|Thymidine, 2',3'-didehydro-3'-deoxy-|Thymine, 1-(2,3-dideoxy-beta-D-glycero-pent-2-enofuranosyl)- (7CI,8CI)|UNII-BO9LE4QFZF|Zerit XR|Zerut XR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023819 https://doi.org/10.22427/NTP-DATA-DTXSID1023819
ERPathway2016 ERPathway2016_1445 Stavudine 3056-17-5 DTXSID1023819 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O Stavudine 3056-17-5|Stavudine|1-(2,3-Dideoxy-beta-D-glycero-pent-2-enofuranosyl)thymine|2'-Thymidinene, 3'-deoxy-|2',3'-didehydro-3'-deoxythymidine|3'-Deoxy-2'-thymidinene|3'-Deoxy-2',3'-didehydrothymidine|BRN 0618327|Dideoxydidehydrothymidine|Estavudina|NSC 163661|Sanilvudine|Stavudinum|STV|Thymidine, 2',3'-didehydro-3'-deoxy-|Thymine, 1-(2,3-dideoxy-beta-D-glycero-pent-2-enofuranosyl)- (7CI,8CI)|UNII-BO9LE4QFZF|Zerit XR|Zerut XR https://comptox.epa.gov/dashboard/chemical/details/DTXSID1023819 https://doi.org/10.22427/NTP-DATA-DTXSID1023819
ARPathway2016 ARPathway2016_1727 Styrene glycol 93-56-1 DTXSID8042422 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCC(O)C1=CC=CC=C1 Styrene glycol 93-56-1|Styrene glycol|(.+-.)-1-Phenyl-1,2-ethanediol|(.+-.)-Phenyl glycol|(.+-.)-Phenyl-1,2-ethanediol|(.+-.)-Styrene glycol|(1,2-Dihydroxyethyl)benzene|(RS)-1-Phenyl-1,2-ethanediol|1-Fenyl-1,2-ethandiol|1-Phenyl-1,2-ethanediol|1-Phenylethylene glycol|1,2-Dihydroxy-1-phenylethane|1,2-Dihydroxy-2-phenylethane|1,2-Dihydroxyethylbenzene|1,2-Ethanediol, 1-phenyl-|1,2-Ethanediol, phenyl-|4-06-00-05939|alpha,beta-Dihydroxyethylbenzene|BRN 1306723|cis-1-Phenyl-1,2-ethanediol|EINECS 202-258-1|ETHANE-1,2-DIOL, 1-PHENYL-|feniletano-1,2-diol|Fenylglycol|NSC 406601|Phenyl glycol|Phenyl-1,2-ethanediol|Phenylethan-1,2-diol|Phenylethane-1,2-diol|Phenylethanediol|Phenylethylene glycol|PHENYLGLYCOL|Styrolyl alcohol|a,b-Dihydroxyethylbenzene|b-Hydroxy-b-phenylethanol|170678-55-4|7138-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042422
ARPathway2016 ARPathway2016_1727 Styrene glycol 93-56-1 DTXSID8042422 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCC(O)C1=CC=CC=C1 Styrene glycol 93-56-1|Styrene glycol|(.+-.)-1-Phenyl-1,2-ethanediol|(.+-.)-Phenyl glycol|(.+-.)-Phenyl-1,2-ethanediol|(.+-.)-Styrene glycol|(1,2-Dihydroxyethyl)benzene|(RS)-1-Phenyl-1,2-ethanediol|1-Fenyl-1,2-ethandiol|1-Phenyl-1,2-ethanediol|1-Phenylethylene glycol|1,2-Dihydroxy-1-phenylethane|1,2-Dihydroxy-2-phenylethane|1,2-Dihydroxyethylbenzene|1,2-Ethanediol, 1-phenyl-|1,2-Ethanediol, phenyl-|4-06-00-05939|alpha,beta-Dihydroxyethylbenzene|BRN 1306723|cis-1-Phenyl-1,2-ethanediol|EINECS 202-258-1|ETHANE-1,2-DIOL, 1-PHENYL-|feniletano-1,2-diol|Fenylglycol|NSC 406601|Phenyl glycol|Phenyl-1,2-ethanediol|Phenylethan-1,2-diol|Phenylethane-1,2-diol|Phenylethanediol|Phenylethylene glycol|PHENYLGLYCOL|Styrolyl alcohol|a,b-Dihydroxyethylbenzene|b-Hydroxy-b-phenylethanol|170678-55-4|7138-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042422
ARPathway2016 ARPathway2016_1727 Styrene glycol 93-56-1 DTXSID8042422 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCC(O)C1=CC=CC=C1 Styrene glycol 93-56-1|Styrene glycol|(.+-.)-1-Phenyl-1,2-ethanediol|(.+-.)-Phenyl glycol|(.+-.)-Phenyl-1,2-ethanediol|(.+-.)-Styrene glycol|(1,2-Dihydroxyethyl)benzene|(RS)-1-Phenyl-1,2-ethanediol|1-Fenyl-1,2-ethandiol|1-Phenyl-1,2-ethanediol|1-Phenylethylene glycol|1,2-Dihydroxy-1-phenylethane|1,2-Dihydroxy-2-phenylethane|1,2-Dihydroxyethylbenzene|1,2-Ethanediol, 1-phenyl-|1,2-Ethanediol, phenyl-|4-06-00-05939|alpha,beta-Dihydroxyethylbenzene|BRN 1306723|cis-1-Phenyl-1,2-ethanediol|EINECS 202-258-1|ETHANE-1,2-DIOL, 1-PHENYL-|feniletano-1,2-diol|Fenylglycol|NSC 406601|Phenyl glycol|Phenyl-1,2-ethanediol|Phenylethan-1,2-diol|Phenylethane-1,2-diol|Phenylethanediol|Phenylethylene glycol|PHENYLGLYCOL|Styrolyl alcohol|a,b-Dihydroxyethylbenzene|b-Hydroxy-b-phenylethanol|170678-55-4|7138-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042422
ARPathway2016 ARPathway2016_1727 Styrene glycol 93-56-1 DTXSID8042422 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCC(O)C1=CC=CC=C1 Styrene glycol 93-56-1|Styrene glycol|(.+-.)-1-Phenyl-1,2-ethanediol|(.+-.)-Phenyl glycol|(.+-.)-Phenyl-1,2-ethanediol|(.+-.)-Styrene glycol|(1,2-Dihydroxyethyl)benzene|(RS)-1-Phenyl-1,2-ethanediol|1-Fenyl-1,2-ethandiol|1-Phenyl-1,2-ethanediol|1-Phenylethylene glycol|1,2-Dihydroxy-1-phenylethane|1,2-Dihydroxy-2-phenylethane|1,2-Dihydroxyethylbenzene|1,2-Ethanediol, 1-phenyl-|1,2-Ethanediol, phenyl-|4-06-00-05939|alpha,beta-Dihydroxyethylbenzene|BRN 1306723|cis-1-Phenyl-1,2-ethanediol|EINECS 202-258-1|ETHANE-1,2-DIOL, 1-PHENYL-|feniletano-1,2-diol|Fenylglycol|NSC 406601|Phenyl glycol|Phenyl-1,2-ethanediol|Phenylethan-1,2-diol|Phenylethane-1,2-diol|Phenylethanediol|Phenylethylene glycol|PHENYLGLYCOL|Styrolyl alcohol|a,b-Dihydroxyethylbenzene|b-Hydroxy-b-phenylethanol|170678-55-4|7138-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042422
ERPathway2016 ERPathway2016_1747 Styrene glycol 93-56-1 DTXSID8042422 ER Pathway Model, Agonist Model Score 0 Unitless OCC(O)C1=CC=CC=C1 Styrene glycol 93-56-1|Styrene glycol|(.+-.)-1-Phenyl-1,2-ethanediol|(.+-.)-Phenyl glycol|(.+-.)-Phenyl-1,2-ethanediol|(.+-.)-Styrene glycol|(1,2-Dihydroxyethyl)benzene|(RS)-1-Phenyl-1,2-ethanediol|1-Fenyl-1,2-ethandiol|1-Phenyl-1,2-ethanediol|1-Phenylethylene glycol|1,2-Dihydroxy-1-phenylethane|1,2-Dihydroxy-2-phenylethane|1,2-Dihydroxyethylbenzene|1,2-Ethanediol, 1-phenyl-|1,2-Ethanediol, phenyl-|4-06-00-05939|alpha,beta-Dihydroxyethylbenzene|BRN 1306723|cis-1-Phenyl-1,2-ethanediol|EINECS 202-258-1|ETHANE-1,2-DIOL, 1-PHENYL-|feniletano-1,2-diol|Fenylglycol|NSC 406601|Phenyl glycol|Phenyl-1,2-ethanediol|Phenylethan-1,2-diol|Phenylethane-1,2-diol|Phenylethanediol|Phenylethylene glycol|PHENYLGLYCOL|Styrolyl alcohol|a,b-Dihydroxyethylbenzene|b-Hydroxy-b-phenylethanol|170678-55-4|7138-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042422
ERPathway2016 ERPathway2016_1747 Styrene glycol 93-56-1 DTXSID8042422 ER Pathway Model, Antagonist Model Score 0 Unitless OCC(O)C1=CC=CC=C1 Styrene glycol 93-56-1|Styrene glycol|(.+-.)-1-Phenyl-1,2-ethanediol|(.+-.)-Phenyl glycol|(.+-.)-Phenyl-1,2-ethanediol|(.+-.)-Styrene glycol|(1,2-Dihydroxyethyl)benzene|(RS)-1-Phenyl-1,2-ethanediol|1-Fenyl-1,2-ethandiol|1-Phenyl-1,2-ethanediol|1-Phenylethylene glycol|1,2-Dihydroxy-1-phenylethane|1,2-Dihydroxy-2-phenylethane|1,2-Dihydroxyethylbenzene|1,2-Ethanediol, 1-phenyl-|1,2-Ethanediol, phenyl-|4-06-00-05939|alpha,beta-Dihydroxyethylbenzene|BRN 1306723|cis-1-Phenyl-1,2-ethanediol|EINECS 202-258-1|ETHANE-1,2-DIOL, 1-PHENYL-|feniletano-1,2-diol|Fenylglycol|NSC 406601|Phenyl glycol|Phenyl-1,2-ethanediol|Phenylethan-1,2-diol|Phenylethane-1,2-diol|Phenylethanediol|Phenylethylene glycol|PHENYLGLYCOL|Styrolyl alcohol|a,b-Dihydroxyethylbenzene|b-Hydroxy-b-phenylethanol|170678-55-4|7138-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042422
ERPathway2016 ERPathway2016_1747 Styrene glycol 93-56-1 DTXSID8042422 ER Pathway Model, Agonist Call Inactive Unitless OCC(O)C1=CC=CC=C1 Styrene glycol 93-56-1|Styrene glycol|(.+-.)-1-Phenyl-1,2-ethanediol|(.+-.)-Phenyl glycol|(.+-.)-Phenyl-1,2-ethanediol|(.+-.)-Styrene glycol|(1,2-Dihydroxyethyl)benzene|(RS)-1-Phenyl-1,2-ethanediol|1-Fenyl-1,2-ethandiol|1-Phenyl-1,2-ethanediol|1-Phenylethylene glycol|1,2-Dihydroxy-1-phenylethane|1,2-Dihydroxy-2-phenylethane|1,2-Dihydroxyethylbenzene|1,2-Ethanediol, 1-phenyl-|1,2-Ethanediol, phenyl-|4-06-00-05939|alpha,beta-Dihydroxyethylbenzene|BRN 1306723|cis-1-Phenyl-1,2-ethanediol|EINECS 202-258-1|ETHANE-1,2-DIOL, 1-PHENYL-|feniletano-1,2-diol|Fenylglycol|NSC 406601|Phenyl glycol|Phenyl-1,2-ethanediol|Phenylethan-1,2-diol|Phenylethane-1,2-diol|Phenylethanediol|Phenylethylene glycol|PHENYLGLYCOL|Styrolyl alcohol|a,b-Dihydroxyethylbenzene|b-Hydroxy-b-phenylethanol|170678-55-4|7138-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042422
ERPathway2016 ERPathway2016_1747 Styrene glycol 93-56-1 DTXSID8042422 ER Pathway Model, Antagonist Call Inactive Unitless OCC(O)C1=CC=CC=C1 Styrene glycol 93-56-1|Styrene glycol|(.+-.)-1-Phenyl-1,2-ethanediol|(.+-.)-Phenyl glycol|(.+-.)-Phenyl-1,2-ethanediol|(.+-.)-Styrene glycol|(1,2-Dihydroxyethyl)benzene|(RS)-1-Phenyl-1,2-ethanediol|1-Fenyl-1,2-ethandiol|1-Phenyl-1,2-ethanediol|1-Phenylethylene glycol|1,2-Dihydroxy-1-phenylethane|1,2-Dihydroxy-2-phenylethane|1,2-Dihydroxyethylbenzene|1,2-Ethanediol, 1-phenyl-|1,2-Ethanediol, phenyl-|4-06-00-05939|alpha,beta-Dihydroxyethylbenzene|BRN 1306723|cis-1-Phenyl-1,2-ethanediol|EINECS 202-258-1|ETHANE-1,2-DIOL, 1-PHENYL-|feniletano-1,2-diol|Fenylglycol|NSC 406601|Phenyl glycol|Phenyl-1,2-ethanediol|Phenylethan-1,2-diol|Phenylethane-1,2-diol|Phenylethanediol|Phenylethylene glycol|PHENYLGLYCOL|Styrolyl alcohol|a,b-Dihydroxyethylbenzene|b-Hydroxy-b-phenylethanol|170678-55-4|7138-28-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042422
ARPathway2016 ARPathway2016_1775 Styrene oxide 96-09-3 DTXSID2021286 1.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1OC1C1=CC=CC=C1 Styrene oxide 96-09-3|Styrene oxide|(.+-.)-Phenylethylene oxide|(.+-.)-Phenyloxirane|(.+-.)-Styrene oxide|(epoxietil)benceno|(epoxyethyl)benzene|(Epoxyethyl)benzol|1-Phenyl-1,2-epoxyethane|1-phenyloxirane|1,2-epoxy-1-phenylethane|1,2-Epoxyethylbenzene|2-PHENYLOXIRAN|2-Phenyloxirane|5-17-01-00577|alpha,beta-epoxystyrene|Benzene, (1,2-epoxyethyl)-|Benzene, (epoxyethyl)-|BRN 0108582|EINECS 202-476-7|Epoxyethyl benzene|epoxyethylbenzene|EPOXYSTYRENE|Ethane, 1,2-epoxy-1-phenyl-|Fenyloxiran|NCI-C54977|NSC 637|NSC 7582|Oxirane, 2-phenyl-|Oxirane, phenyl-|Phenethylene oxide|phenyl oxirane|Phenylethylene oxide|Phenyloxirane|Styrene 1',2'-oxide|Styrene 7,8-oxide|Styrene epoxide|Styrene-7,8-oxide|Styryl oxide|UNII-9QH06NGT6O|a,b-Epoxystyrene|62497-63-6|67253-49-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021286 https://doi.org/10.22427/NTP-DATA-DTXSID2021286
ARPathway2016 ARPathway2016_1775 Styrene oxide 96-09-3 DTXSID2021286 1.0 AR Pathway Model, Agonist Model Score 0 Unitless C1OC1C1=CC=CC=C1 Styrene oxide 96-09-3|Styrene oxide|(.+-.)-Phenylethylene oxide|(.+-.)-Phenyloxirane|(.+-.)-Styrene oxide|(epoxietil)benceno|(epoxyethyl)benzene|(Epoxyethyl)benzol|1-Phenyl-1,2-epoxyethane|1-phenyloxirane|1,2-epoxy-1-phenylethane|1,2-Epoxyethylbenzene|2-PHENYLOXIRAN|2-Phenyloxirane|5-17-01-00577|alpha,beta-epoxystyrene|Benzene, (1,2-epoxyethyl)-|Benzene, (epoxyethyl)-|BRN 0108582|EINECS 202-476-7|Epoxyethyl benzene|epoxyethylbenzene|EPOXYSTYRENE|Ethane, 1,2-epoxy-1-phenyl-|Fenyloxiran|NCI-C54977|NSC 637|NSC 7582|Oxirane, 2-phenyl-|Oxirane, phenyl-|Phenethylene oxide|phenyl oxirane|Phenylethylene oxide|Phenyloxirane|Styrene 1',2'-oxide|Styrene 7,8-oxide|Styrene epoxide|Styrene-7,8-oxide|Styryl oxide|UNII-9QH06NGT6O|a,b-Epoxystyrene|62497-63-6|67253-49-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021286 https://doi.org/10.22427/NTP-DATA-DTXSID2021286
ARPathway2016 ARPathway2016_1775 Styrene oxide 96-09-3 DTXSID2021286 1.0 AR Pathway Model, Agonist Call Inactive Unitless C1OC1C1=CC=CC=C1 Styrene oxide 96-09-3|Styrene oxide|(.+-.)-Phenylethylene oxide|(.+-.)-Phenyloxirane|(.+-.)-Styrene oxide|(epoxietil)benceno|(epoxyethyl)benzene|(Epoxyethyl)benzol|1-Phenyl-1,2-epoxyethane|1-phenyloxirane|1,2-epoxy-1-phenylethane|1,2-Epoxyethylbenzene|2-PHENYLOXIRAN|2-Phenyloxirane|5-17-01-00577|alpha,beta-epoxystyrene|Benzene, (1,2-epoxyethyl)-|Benzene, (epoxyethyl)-|BRN 0108582|EINECS 202-476-7|Epoxyethyl benzene|epoxyethylbenzene|EPOXYSTYRENE|Ethane, 1,2-epoxy-1-phenyl-|Fenyloxiran|NCI-C54977|NSC 637|NSC 7582|Oxirane, 2-phenyl-|Oxirane, phenyl-|Phenethylene oxide|phenyl oxirane|Phenylethylene oxide|Phenyloxirane|Styrene 1',2'-oxide|Styrene 7,8-oxide|Styrene epoxide|Styrene-7,8-oxide|Styryl oxide|UNII-9QH06NGT6O|a,b-Epoxystyrene|62497-63-6|67253-49-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021286 https://doi.org/10.22427/NTP-DATA-DTXSID2021286
ARPathway2016 ARPathway2016_1775 Styrene oxide 96-09-3 DTXSID2021286 1.0 AR Pathway Model, Antagonist Call Inactive Unitless C1OC1C1=CC=CC=C1 Styrene oxide 96-09-3|Styrene oxide|(.+-.)-Phenylethylene oxide|(.+-.)-Phenyloxirane|(.+-.)-Styrene oxide|(epoxietil)benceno|(epoxyethyl)benzene|(Epoxyethyl)benzol|1-Phenyl-1,2-epoxyethane|1-phenyloxirane|1,2-epoxy-1-phenylethane|1,2-Epoxyethylbenzene|2-PHENYLOXIRAN|2-Phenyloxirane|5-17-01-00577|alpha,beta-epoxystyrene|Benzene, (1,2-epoxyethyl)-|Benzene, (epoxyethyl)-|BRN 0108582|EINECS 202-476-7|Epoxyethyl benzene|epoxyethylbenzene|EPOXYSTYRENE|Ethane, 1,2-epoxy-1-phenyl-|Fenyloxiran|NCI-C54977|NSC 637|NSC 7582|Oxirane, 2-phenyl-|Oxirane, phenyl-|Phenethylene oxide|phenyl oxirane|Phenylethylene oxide|Phenyloxirane|Styrene 1',2'-oxide|Styrene 7,8-oxide|Styrene epoxide|Styrene-7,8-oxide|Styryl oxide|UNII-9QH06NGT6O|a,b-Epoxystyrene|62497-63-6|67253-49-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021286 https://doi.org/10.22427/NTP-DATA-DTXSID2021286
ERPathway2016 ERPathway2016_1775 Styrene oxide 96-09-3 DTXSID2021286 ER Pathway Model, Agonist Model Score 0 Unitless C1OC1C1=CC=CC=C1 Styrene oxide 96-09-3|Styrene oxide|(.+-.)-Phenylethylene oxide|(.+-.)-Phenyloxirane|(.+-.)-Styrene oxide|(epoxietil)benceno|(epoxyethyl)benzene|(Epoxyethyl)benzol|1-Phenyl-1,2-epoxyethane|1-phenyloxirane|1,2-epoxy-1-phenylethane|1,2-Epoxyethylbenzene|2-PHENYLOXIRAN|2-Phenyloxirane|5-17-01-00577|alpha,beta-epoxystyrene|Benzene, (1,2-epoxyethyl)-|Benzene, (epoxyethyl)-|BRN 0108582|EINECS 202-476-7|Epoxyethyl benzene|epoxyethylbenzene|EPOXYSTYRENE|Ethane, 1,2-epoxy-1-phenyl-|Fenyloxiran|NCI-C54977|NSC 637|NSC 7582|Oxirane, 2-phenyl-|Oxirane, phenyl-|Phenethylene oxide|phenyl oxirane|Phenylethylene oxide|Phenyloxirane|Styrene 1',2'-oxide|Styrene 7,8-oxide|Styrene epoxide|Styrene-7,8-oxide|Styryl oxide|UNII-9QH06NGT6O|a,b-Epoxystyrene|62497-63-6|67253-49-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021286 https://doi.org/10.22427/NTP-DATA-DTXSID2021286
ERPathway2016 ERPathway2016_1775 Styrene oxide 96-09-3 DTXSID2021286 ER Pathway Model, Antagonist Model Score 0 Unitless C1OC1C1=CC=CC=C1 Styrene oxide 96-09-3|Styrene oxide|(.+-.)-Phenylethylene oxide|(.+-.)-Phenyloxirane|(.+-.)-Styrene oxide|(epoxietil)benceno|(epoxyethyl)benzene|(Epoxyethyl)benzol|1-Phenyl-1,2-epoxyethane|1-phenyloxirane|1,2-epoxy-1-phenylethane|1,2-Epoxyethylbenzene|2-PHENYLOXIRAN|2-Phenyloxirane|5-17-01-00577|alpha,beta-epoxystyrene|Benzene, (1,2-epoxyethyl)-|Benzene, (epoxyethyl)-|BRN 0108582|EINECS 202-476-7|Epoxyethyl benzene|epoxyethylbenzene|EPOXYSTYRENE|Ethane, 1,2-epoxy-1-phenyl-|Fenyloxiran|NCI-C54977|NSC 637|NSC 7582|Oxirane, 2-phenyl-|Oxirane, phenyl-|Phenethylene oxide|phenyl oxirane|Phenylethylene oxide|Phenyloxirane|Styrene 1',2'-oxide|Styrene 7,8-oxide|Styrene epoxide|Styrene-7,8-oxide|Styryl oxide|UNII-9QH06NGT6O|a,b-Epoxystyrene|62497-63-6|67253-49-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021286 https://doi.org/10.22427/NTP-DATA-DTXSID2021286
ERPathway2016 ERPathway2016_1775 Styrene oxide 96-09-3 DTXSID2021286 ER Pathway Model, Agonist Call Inactive Unitless C1OC1C1=CC=CC=C1 Styrene oxide 96-09-3|Styrene oxide|(.+-.)-Phenylethylene oxide|(.+-.)-Phenyloxirane|(.+-.)-Styrene oxide|(epoxietil)benceno|(epoxyethyl)benzene|(Epoxyethyl)benzol|1-Phenyl-1,2-epoxyethane|1-phenyloxirane|1,2-epoxy-1-phenylethane|1,2-Epoxyethylbenzene|2-PHENYLOXIRAN|2-Phenyloxirane|5-17-01-00577|alpha,beta-epoxystyrene|Benzene, (1,2-epoxyethyl)-|Benzene, (epoxyethyl)-|BRN 0108582|EINECS 202-476-7|Epoxyethyl benzene|epoxyethylbenzene|EPOXYSTYRENE|Ethane, 1,2-epoxy-1-phenyl-|Fenyloxiran|NCI-C54977|NSC 637|NSC 7582|Oxirane, 2-phenyl-|Oxirane, phenyl-|Phenethylene oxide|phenyl oxirane|Phenylethylene oxide|Phenyloxirane|Styrene 1',2'-oxide|Styrene 7,8-oxide|Styrene epoxide|Styrene-7,8-oxide|Styryl oxide|UNII-9QH06NGT6O|a,b-Epoxystyrene|62497-63-6|67253-49-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021286 https://doi.org/10.22427/NTP-DATA-DTXSID2021286
ERPathway2016 ERPathway2016_1775 Styrene oxide 96-09-3 DTXSID2021286 ER Pathway Model, Antagonist Call Inactive Unitless C1OC1C1=CC=CC=C1 Styrene oxide 96-09-3|Styrene oxide|(.+-.)-Phenylethylene oxide|(.+-.)-Phenyloxirane|(.+-.)-Styrene oxide|(epoxietil)benceno|(epoxyethyl)benzene|(Epoxyethyl)benzol|1-Phenyl-1,2-epoxyethane|1-phenyloxirane|1,2-epoxy-1-phenylethane|1,2-Epoxyethylbenzene|2-PHENYLOXIRAN|2-Phenyloxirane|5-17-01-00577|alpha,beta-epoxystyrene|Benzene, (1,2-epoxyethyl)-|Benzene, (epoxyethyl)-|BRN 0108582|EINECS 202-476-7|Epoxyethyl benzene|epoxyethylbenzene|EPOXYSTYRENE|Ethane, 1,2-epoxy-1-phenyl-|Fenyloxiran|NCI-C54977|NSC 637|NSC 7582|Oxirane, 2-phenyl-|Oxirane, phenyl-|Phenethylene oxide|phenyl oxirane|Phenylethylene oxide|Phenyloxirane|Styrene 1',2'-oxide|Styrene 7,8-oxide|Styrene epoxide|Styrene-7,8-oxide|Styryl oxide|UNII-9QH06NGT6O|a,b-Epoxystyrene|62497-63-6|67253-49-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021286 https://doi.org/10.22427/NTP-DATA-DTXSID2021286
ARPathway2016 ARPathway2016_1345 Sucrose 57-50-1 DTXSID2021288 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O Sucrose 57-50-1|Sucrose|.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl|(+)-Sucrose|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol|(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol|(alpha-D-Glucosido)-beta-D-fructofuranoside|200-334-9|alpha-D-Glucopyranoside, beta-D-fructofuranosyl|alpha-D-Glucopyranoside, beta-D-fructofuranosyl-|alpha-D-Glucopyranosyl beta-D-fructofuranoside|Amerfand|Amerfond|b -D-Fructofuranosyl a-D-glucopyranoside|Beet sugar|beta-D-Fructofuranosyl alpha-D-glucopyranoside|beta-D-Fruf-(2<->1)-alpha-D-Glcp|Cane sugar|Carrare C 10|Confectioner's sugar|D-(+)-Saccharose|D-(+)-Sucrose|D-Sucrose|D(+)-Sucrose|EC|100405-08-1|104242-10-6|1159795-78-4|1192061-43-0|12040-73-2|1206156-82-2|131932-12-2|146054-35-5|146187-04-4|1481578-88-4|151756-02-4|1566560-95-9|2169316-40-7|220376-22-7|29253-78-9|29764-06-5|30027-72-6|47167-52-2|47185-09-1|47257-91-0|50857-68-6|51909-69-4|635681-90-2|64533-66-0|65545-99-5|75398-84-4|76056-38-7|78654-77-0|786702-63-4|80165-03-3|8027-47-2|8030-20-4|85456-51-5|86101-30-6|87430-66-8|880257-62-5|92004-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021288 https://doi.org/10.22427/NTP-DATA-DTXSID2021288
ARPathway2016 ARPathway2016_1345 Sucrose 57-50-1 DTXSID2021288 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O Sucrose 57-50-1|Sucrose|.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl|(+)-Sucrose|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol|(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol|(alpha-D-Glucosido)-beta-D-fructofuranoside|200-334-9|alpha-D-Glucopyranoside, beta-D-fructofuranosyl|alpha-D-Glucopyranoside, beta-D-fructofuranosyl-|alpha-D-Glucopyranosyl beta-D-fructofuranoside|Amerfand|Amerfond|b -D-Fructofuranosyl a-D-glucopyranoside|Beet sugar|beta-D-Fructofuranosyl alpha-D-glucopyranoside|beta-D-Fruf-(2<->1)-alpha-D-Glcp|Cane sugar|Carrare C 10|Confectioner's sugar|D-(+)-Saccharose|D-(+)-Sucrose|D-Sucrose|D(+)-Sucrose|EC|100405-08-1|104242-10-6|1159795-78-4|1192061-43-0|12040-73-2|1206156-82-2|131932-12-2|146054-35-5|146187-04-4|1481578-88-4|151756-02-4|1566560-95-9|2169316-40-7|220376-22-7|29253-78-9|29764-06-5|30027-72-6|47167-52-2|47185-09-1|47257-91-0|50857-68-6|51909-69-4|635681-90-2|64533-66-0|65545-99-5|75398-84-4|76056-38-7|78654-77-0|786702-63-4|80165-03-3|8027-47-2|8030-20-4|85456-51-5|86101-30-6|87430-66-8|880257-62-5|92004-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021288 https://doi.org/10.22427/NTP-DATA-DTXSID2021288
ARPathway2016 ARPathway2016_1345 Sucrose 57-50-1 DTXSID2021288 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O Sucrose 57-50-1|Sucrose|.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl|(+)-Sucrose|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol|(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol|(alpha-D-Glucosido)-beta-D-fructofuranoside|200-334-9|alpha-D-Glucopyranoside, beta-D-fructofuranosyl|alpha-D-Glucopyranoside, beta-D-fructofuranosyl-|alpha-D-Glucopyranosyl beta-D-fructofuranoside|Amerfand|Amerfond|b -D-Fructofuranosyl a-D-glucopyranoside|Beet sugar|beta-D-Fructofuranosyl alpha-D-glucopyranoside|beta-D-Fruf-(2<->1)-alpha-D-Glcp|Cane sugar|Carrare C 10|Confectioner's sugar|D-(+)-Saccharose|D-(+)-Sucrose|D-Sucrose|D(+)-Sucrose|EC|100405-08-1|104242-10-6|1159795-78-4|1192061-43-0|12040-73-2|1206156-82-2|131932-12-2|146054-35-5|146187-04-4|1481578-88-4|151756-02-4|1566560-95-9|2169316-40-7|220376-22-7|29253-78-9|29764-06-5|30027-72-6|47167-52-2|47185-09-1|47257-91-0|50857-68-6|51909-69-4|635681-90-2|64533-66-0|65545-99-5|75398-84-4|76056-38-7|78654-77-0|786702-63-4|80165-03-3|8027-47-2|8030-20-4|85456-51-5|86101-30-6|87430-66-8|880257-62-5|92004-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021288 https://doi.org/10.22427/NTP-DATA-DTXSID2021288
ARPathway2016 ARPathway2016_1345 Sucrose 57-50-1 DTXSID2021288 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O Sucrose 57-50-1|Sucrose|.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl|(+)-Sucrose|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol|(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol|(alpha-D-Glucosido)-beta-D-fructofuranoside|200-334-9|alpha-D-Glucopyranoside, beta-D-fructofuranosyl|alpha-D-Glucopyranoside, beta-D-fructofuranosyl-|alpha-D-Glucopyranosyl beta-D-fructofuranoside|Amerfand|Amerfond|b -D-Fructofuranosyl a-D-glucopyranoside|Beet sugar|beta-D-Fructofuranosyl alpha-D-glucopyranoside|beta-D-Fruf-(2<->1)-alpha-D-Glcp|Cane sugar|Carrare C 10|Confectioner's sugar|D-(+)-Saccharose|D-(+)-Sucrose|D-Sucrose|D(+)-Sucrose|EC|100405-08-1|104242-10-6|1159795-78-4|1192061-43-0|12040-73-2|1206156-82-2|131932-12-2|146054-35-5|146187-04-4|1481578-88-4|151756-02-4|1566560-95-9|2169316-40-7|220376-22-7|29253-78-9|29764-06-5|30027-72-6|47167-52-2|47185-09-1|47257-91-0|50857-68-6|51909-69-4|635681-90-2|64533-66-0|65545-99-5|75398-84-4|76056-38-7|78654-77-0|786702-63-4|80165-03-3|8027-47-2|8030-20-4|85456-51-5|86101-30-6|87430-66-8|880257-62-5|92004-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021288 https://doi.org/10.22427/NTP-DATA-DTXSID2021288
ERPathway2016 ERPathway2016_1550 Sucrose 57-50-1 DTXSID2021288 ER Pathway Model, Agonist Model Score 0 Unitless OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O Sucrose 57-50-1|Sucrose|.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl|(+)-Sucrose|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol|(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol|(alpha-D-Glucosido)-beta-D-fructofuranoside|200-334-9|alpha-D-Glucopyranoside, beta-D-fructofuranosyl|alpha-D-Glucopyranoside, beta-D-fructofuranosyl-|alpha-D-Glucopyranosyl beta-D-fructofuranoside|Amerfand|Amerfond|b -D-Fructofuranosyl a-D-glucopyranoside|Beet sugar|beta-D-Fructofuranosyl alpha-D-glucopyranoside|beta-D-Fruf-(2<->1)-alpha-D-Glcp|Cane sugar|Carrare C 10|Confectioner's sugar|D-(+)-Saccharose|D-(+)-Sucrose|D-Sucrose|D(+)-Sucrose|EC|100405-08-1|104242-10-6|1159795-78-4|1192061-43-0|12040-73-2|1206156-82-2|131932-12-2|146054-35-5|146187-04-4|1481578-88-4|151756-02-4|1566560-95-9|2169316-40-7|220376-22-7|29253-78-9|29764-06-5|30027-72-6|47167-52-2|47185-09-1|47257-91-0|50857-68-6|51909-69-4|635681-90-2|64533-66-0|65545-99-5|75398-84-4|76056-38-7|78654-77-0|786702-63-4|80165-03-3|8027-47-2|8030-20-4|85456-51-5|86101-30-6|87430-66-8|880257-62-5|92004-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021288 https://doi.org/10.22427/NTP-DATA-DTXSID2021288
ERPathway2016 ERPathway2016_1550 Sucrose 57-50-1 DTXSID2021288 ER Pathway Model, Antagonist Model Score 0 Unitless OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O Sucrose 57-50-1|Sucrose|.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl|(+)-Sucrose|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol|(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol|(alpha-D-Glucosido)-beta-D-fructofuranoside|200-334-9|alpha-D-Glucopyranoside, beta-D-fructofuranosyl|alpha-D-Glucopyranoside, beta-D-fructofuranosyl-|alpha-D-Glucopyranosyl beta-D-fructofuranoside|Amerfand|Amerfond|b -D-Fructofuranosyl a-D-glucopyranoside|Beet sugar|beta-D-Fructofuranosyl alpha-D-glucopyranoside|beta-D-Fruf-(2<->1)-alpha-D-Glcp|Cane sugar|Carrare C 10|Confectioner's sugar|D-(+)-Saccharose|D-(+)-Sucrose|D-Sucrose|D(+)-Sucrose|EC|100405-08-1|104242-10-6|1159795-78-4|1192061-43-0|12040-73-2|1206156-82-2|131932-12-2|146054-35-5|146187-04-4|1481578-88-4|151756-02-4|1566560-95-9|2169316-40-7|220376-22-7|29253-78-9|29764-06-5|30027-72-6|47167-52-2|47185-09-1|47257-91-0|50857-68-6|51909-69-4|635681-90-2|64533-66-0|65545-99-5|75398-84-4|76056-38-7|78654-77-0|786702-63-4|80165-03-3|8027-47-2|8030-20-4|85456-51-5|86101-30-6|87430-66-8|880257-62-5|92004-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021288 https://doi.org/10.22427/NTP-DATA-DTXSID2021288
ERPathway2016 ERPathway2016_1550 Sucrose 57-50-1 DTXSID2021288 ER Pathway Model, Agonist Call Inactive Unitless OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O Sucrose 57-50-1|Sucrose|.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl|(+)-Sucrose|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol|(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol|(alpha-D-Glucosido)-beta-D-fructofuranoside|200-334-9|alpha-D-Glucopyranoside, beta-D-fructofuranosyl|alpha-D-Glucopyranoside, beta-D-fructofuranosyl-|alpha-D-Glucopyranosyl beta-D-fructofuranoside|Amerfand|Amerfond|b -D-Fructofuranosyl a-D-glucopyranoside|Beet sugar|beta-D-Fructofuranosyl alpha-D-glucopyranoside|beta-D-Fruf-(2<->1)-alpha-D-Glcp|Cane sugar|Carrare C 10|Confectioner's sugar|D-(+)-Saccharose|D-(+)-Sucrose|D-Sucrose|D(+)-Sucrose|EC|100405-08-1|104242-10-6|1159795-78-4|1192061-43-0|12040-73-2|1206156-82-2|131932-12-2|146054-35-5|146187-04-4|1481578-88-4|151756-02-4|1566560-95-9|2169316-40-7|220376-22-7|29253-78-9|29764-06-5|30027-72-6|47167-52-2|47185-09-1|47257-91-0|50857-68-6|51909-69-4|635681-90-2|64533-66-0|65545-99-5|75398-84-4|76056-38-7|78654-77-0|786702-63-4|80165-03-3|8027-47-2|8030-20-4|85456-51-5|86101-30-6|87430-66-8|880257-62-5|92004-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021288 https://doi.org/10.22427/NTP-DATA-DTXSID2021288
ERPathway2016 ERPathway2016_1550 Sucrose 57-50-1 DTXSID2021288 ER Pathway Model, Antagonist Call Inactive Unitless OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O Sucrose 57-50-1|Sucrose|.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl|(+)-Sucrose|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol|(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol|(alpha-D-Glucosido)-beta-D-fructofuranoside|200-334-9|alpha-D-Glucopyranoside, beta-D-fructofuranosyl|alpha-D-Glucopyranoside, beta-D-fructofuranosyl-|alpha-D-Glucopyranosyl beta-D-fructofuranoside|Amerfand|Amerfond|b -D-Fructofuranosyl a-D-glucopyranoside|Beet sugar|beta-D-Fructofuranosyl alpha-D-glucopyranoside|beta-D-Fruf-(2<->1)-alpha-D-Glcp|Cane sugar|Carrare C 10|Confectioner's sugar|D-(+)-Saccharose|D-(+)-Sucrose|D-Sucrose|D(+)-Sucrose|EC|100405-08-1|104242-10-6|1159795-78-4|1192061-43-0|12040-73-2|1206156-82-2|131932-12-2|146054-35-5|146187-04-4|1481578-88-4|151756-02-4|1566560-95-9|2169316-40-7|220376-22-7|29253-78-9|29764-06-5|30027-72-6|47167-52-2|47185-09-1|47257-91-0|50857-68-6|51909-69-4|635681-90-2|64533-66-0|65545-99-5|75398-84-4|76056-38-7|78654-77-0|786702-63-4|80165-03-3|8027-47-2|8030-20-4|85456-51-5|86101-30-6|87430-66-8|880257-62-5|92004-84-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2021288 https://doi.org/10.22427/NTP-DATA-DTXSID2021288
ARPathway2016 ARPathway2016_747 Sucrose octaacetate 126-14-7 DTXSID3042423 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [H][C@]1(O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O Sucrose octaacetate 126-14-7|Sucrose octaacetate|.alpha.-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-.beta.-D-fructofuranosyl, 2,3,4,6-tetraacetate|1,3,4,6-Tetra-O-acetyl-beta-D-fructofuranosyl-alpha-D-glucopyranoside tetraacetate|1,3,4,6-Tetra-O-acetyl-b-D-fructofuranosyl-a-D-glucopyranoside tetraacetate|2,3,4,6,1',3',4',6'-Octa-O-acetylsucrose|5-17-08-00410|alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl, 2,3,4,6-tetraacetate|BRN 0079290|EINECS 204-772-1|FEMA No. 3038|NSC 1695|Octa-O-acetylsucrose|Octaacetate de saccharose|octaacetato de sacarosa|Octaacetyl sucrose|Octaacetylsucrose|Saccharose octaacetate|SUCROSE-OCTA-ACETAT|Sucrose, octaacetate|Sucroseoctaacetat|UNII-07V591057T|a-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, 2,3,4,6-tetraacetate|a-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, tetraacetate|68006-08-6|94273-23-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042423
ARPathway2016 ARPathway2016_747 Sucrose octaacetate 126-14-7 DTXSID3042423 0.0 AR Pathway Model, Agonist Call Inactive Unitless [H][C@]1(O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O Sucrose octaacetate 126-14-7|Sucrose octaacetate|.alpha.-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-.beta.-D-fructofuranosyl, 2,3,4,6-tetraacetate|1,3,4,6-Tetra-O-acetyl-beta-D-fructofuranosyl-alpha-D-glucopyranoside tetraacetate|1,3,4,6-Tetra-O-acetyl-b-D-fructofuranosyl-a-D-glucopyranoside tetraacetate|2,3,4,6,1',3',4',6'-Octa-O-acetylsucrose|5-17-08-00410|alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl, 2,3,4,6-tetraacetate|BRN 0079290|EINECS 204-772-1|FEMA No. 3038|NSC 1695|Octa-O-acetylsucrose|Octaacetate de saccharose|octaacetato de sacarosa|Octaacetyl sucrose|Octaacetylsucrose|Saccharose octaacetate|SUCROSE-OCTA-ACETAT|Sucrose, octaacetate|Sucroseoctaacetat|UNII-07V591057T|a-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, 2,3,4,6-tetraacetate|a-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, tetraacetate|68006-08-6|94273-23-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042423
ARPathway2016 ARPathway2016_747 Sucrose octaacetate 126-14-7 DTXSID3042423 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@]1(O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O Sucrose octaacetate 126-14-7|Sucrose octaacetate|.alpha.-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-.beta.-D-fructofuranosyl, 2,3,4,6-tetraacetate|1,3,4,6-Tetra-O-acetyl-beta-D-fructofuranosyl-alpha-D-glucopyranoside tetraacetate|1,3,4,6-Tetra-O-acetyl-b-D-fructofuranosyl-a-D-glucopyranoside tetraacetate|2,3,4,6,1',3',4',6'-Octa-O-acetylsucrose|5-17-08-00410|alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl, 2,3,4,6-tetraacetate|BRN 0079290|EINECS 204-772-1|FEMA No. 3038|NSC 1695|Octa-O-acetylsucrose|Octaacetate de saccharose|octaacetato de sacarosa|Octaacetyl sucrose|Octaacetylsucrose|Saccharose octaacetate|SUCROSE-OCTA-ACETAT|Sucrose, octaacetate|Sucroseoctaacetat|UNII-07V591057T|a-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, 2,3,4,6-tetraacetate|a-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, tetraacetate|68006-08-6|94273-23-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042423
ARPathway2016 ARPathway2016_747 Sucrose octaacetate 126-14-7 DTXSID3042423 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [H][C@]1(O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O Sucrose octaacetate 126-14-7|Sucrose octaacetate|.alpha.-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-.beta.-D-fructofuranosyl, 2,3,4,6-tetraacetate|1,3,4,6-Tetra-O-acetyl-beta-D-fructofuranosyl-alpha-D-glucopyranoside tetraacetate|1,3,4,6-Tetra-O-acetyl-b-D-fructofuranosyl-a-D-glucopyranoside tetraacetate|2,3,4,6,1',3',4',6'-Octa-O-acetylsucrose|5-17-08-00410|alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl, 2,3,4,6-tetraacetate|BRN 0079290|EINECS 204-772-1|FEMA No. 3038|NSC 1695|Octa-O-acetylsucrose|Octaacetate de saccharose|octaacetato de sacarosa|Octaacetyl sucrose|Octaacetylsucrose|Saccharose octaacetate|SUCROSE-OCTA-ACETAT|Sucrose, octaacetate|Sucroseoctaacetat|UNII-07V591057T|a-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, 2,3,4,6-tetraacetate|a-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, tetraacetate|68006-08-6|94273-23-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042423
ERPathway2016 ERPathway2016_1256 Sucrose octaacetate 126-14-7 DTXSID3042423 ER Pathway Model, Agonist Model Score 0 Unitless [H][C@]1(O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O Sucrose octaacetate 126-14-7|Sucrose octaacetate|.alpha.-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-.beta.-D-fructofuranosyl, 2,3,4,6-tetraacetate|1,3,4,6-Tetra-O-acetyl-beta-D-fructofuranosyl-alpha-D-glucopyranoside tetraacetate|1,3,4,6-Tetra-O-acetyl-b-D-fructofuranosyl-a-D-glucopyranoside tetraacetate|2,3,4,6,1',3',4',6'-Octa-O-acetylsucrose|5-17-08-00410|alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl, 2,3,4,6-tetraacetate|BRN 0079290|EINECS 204-772-1|FEMA No. 3038|NSC 1695|Octa-O-acetylsucrose|Octaacetate de saccharose|octaacetato de sacarosa|Octaacetyl sucrose|Octaacetylsucrose|Saccharose octaacetate|SUCROSE-OCTA-ACETAT|Sucrose, octaacetate|Sucroseoctaacetat|UNII-07V591057T|a-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, 2,3,4,6-tetraacetate|a-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, tetraacetate|68006-08-6|94273-23-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042423
ERPathway2016 ERPathway2016_1256 Sucrose octaacetate 126-14-7 DTXSID3042423 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@]1(O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O Sucrose octaacetate 126-14-7|Sucrose octaacetate|.alpha.-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-.beta.-D-fructofuranosyl, 2,3,4,6-tetraacetate|1,3,4,6-Tetra-O-acetyl-beta-D-fructofuranosyl-alpha-D-glucopyranoside tetraacetate|1,3,4,6-Tetra-O-acetyl-b-D-fructofuranosyl-a-D-glucopyranoside tetraacetate|2,3,4,6,1',3',4',6'-Octa-O-acetylsucrose|5-17-08-00410|alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl, 2,3,4,6-tetraacetate|BRN 0079290|EINECS 204-772-1|FEMA No. 3038|NSC 1695|Octa-O-acetylsucrose|Octaacetate de saccharose|octaacetato de sacarosa|Octaacetyl sucrose|Octaacetylsucrose|Saccharose octaacetate|SUCROSE-OCTA-ACETAT|Sucrose, octaacetate|Sucroseoctaacetat|UNII-07V591057T|a-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, 2,3,4,6-tetraacetate|a-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, tetraacetate|68006-08-6|94273-23-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042423
ERPathway2016 ERPathway2016_1256 Sucrose octaacetate 126-14-7 DTXSID3042423 ER Pathway Model, Agonist Call Inactive Unitless [H][C@]1(O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O Sucrose octaacetate 126-14-7|Sucrose octaacetate|.alpha.-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-.beta.-D-fructofuranosyl, 2,3,4,6-tetraacetate|1,3,4,6-Tetra-O-acetyl-beta-D-fructofuranosyl-alpha-D-glucopyranoside tetraacetate|1,3,4,6-Tetra-O-acetyl-b-D-fructofuranosyl-a-D-glucopyranoside tetraacetate|2,3,4,6,1',3',4',6'-Octa-O-acetylsucrose|5-17-08-00410|alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl, 2,3,4,6-tetraacetate|BRN 0079290|EINECS 204-772-1|FEMA No. 3038|NSC 1695|Octa-O-acetylsucrose|Octaacetate de saccharose|octaacetato de sacarosa|Octaacetyl sucrose|Octaacetylsucrose|Saccharose octaacetate|SUCROSE-OCTA-ACETAT|Sucrose, octaacetate|Sucroseoctaacetat|UNII-07V591057T|a-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, 2,3,4,6-tetraacetate|a-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, tetraacetate|68006-08-6|94273-23-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042423
ERPathway2016 ERPathway2016_1256 Sucrose octaacetate 126-14-7 DTXSID3042423 ER Pathway Model, Antagonist Call Inactive Unitless [H][C@]1(O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O Sucrose octaacetate 126-14-7|Sucrose octaacetate|.alpha.-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-.beta.-D-fructofuranosyl, 2,3,4,6-tetraacetate|1,3,4,6-Tetra-O-acetyl-beta-D-fructofuranosyl-alpha-D-glucopyranoside tetraacetate|1,3,4,6-Tetra-O-acetyl-b-D-fructofuranosyl-a-D-glucopyranoside tetraacetate|2,3,4,6,1',3',4',6'-Octa-O-acetylsucrose|5-17-08-00410|alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl, 2,3,4,6-tetraacetate|BRN 0079290|EINECS 204-772-1|FEMA No. 3038|NSC 1695|Octa-O-acetylsucrose|Octaacetate de saccharose|octaacetato de sacarosa|Octaacetyl sucrose|Octaacetylsucrose|Saccharose octaacetate|SUCROSE-OCTA-ACETAT|Sucrose, octaacetate|Sucroseoctaacetat|UNII-07V591057T|a-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, 2,3,4,6-tetraacetate|a-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, tetraacetate|68006-08-6|94273-23-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3042423
ARPathway2016 ARPathway2016_1289 Sulfamic acid 5329-14-6 DTXSID6034005 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NS(O)(=O)=O Sulfamic acid 5329-14-6|Sulfamic acid|[S(NH2)O2(OH)]|Acide sulfamidique|acido sulfamidico|Alprojet W|Amidoschwefelsaeure|AMIDOSULFONIC ACID|AMIDOSULFONSAEURE|Amidosulfuric acid|Amidosulphonic acid|Aminesulfonic acid|AMINO-SULFONIC ACID|Aminosulfonic acid|Aminosulfuric acid|Caswell No. 809|EINECS 226-218-8|EPA Pesticide Chemical Code 078101|Imidosulfonic acid|Kyselina amidosulfonova|Kyselina sulfaminova|NSC 1871|Scale Cleen|Sulfamic acid Amidosulfonic acidAmidosulfuric acid|Sulfamidic acid|Sulfamidsaeure|Sulfamidsaure|Sulfaminic acid|Sulphamic acid|sulphamidic acid|UN 2967|UNII-9NFU33906Q|1266250-83-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034005
ARPathway2016 ARPathway2016_1289 Sulfamic acid 5329-14-6 DTXSID6034005 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NS(O)(=O)=O Sulfamic acid 5329-14-6|Sulfamic acid|[S(NH2)O2(OH)]|Acide sulfamidique|acido sulfamidico|Alprojet W|Amidoschwefelsaeure|AMIDOSULFONIC ACID|AMIDOSULFONSAEURE|Amidosulfuric acid|Amidosulphonic acid|Aminesulfonic acid|AMINO-SULFONIC ACID|Aminosulfonic acid|Aminosulfuric acid|Caswell No. 809|EINECS 226-218-8|EPA Pesticide Chemical Code 078101|Imidosulfonic acid|Kyselina amidosulfonova|Kyselina sulfaminova|NSC 1871|Scale Cleen|Sulfamic acid Amidosulfonic acidAmidosulfuric acid|Sulfamidic acid|Sulfamidsaeure|Sulfamidsaure|Sulfaminic acid|Sulphamic acid|sulphamidic acid|UN 2967|UNII-9NFU33906Q|1266250-83-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034005
ARPathway2016 ARPathway2016_1289 Sulfamic acid 5329-14-6 DTXSID6034005 0.0 AR Pathway Model, Agonist Call Inactive Unitless NS(O)(=O)=O Sulfamic acid 5329-14-6|Sulfamic acid|[S(NH2)O2(OH)]|Acide sulfamidique|acido sulfamidico|Alprojet W|Amidoschwefelsaeure|AMIDOSULFONIC ACID|AMIDOSULFONSAEURE|Amidosulfuric acid|Amidosulphonic acid|Aminesulfonic acid|AMINO-SULFONIC ACID|Aminosulfonic acid|Aminosulfuric acid|Caswell No. 809|EINECS 226-218-8|EPA Pesticide Chemical Code 078101|Imidosulfonic acid|Kyselina amidosulfonova|Kyselina sulfaminova|NSC 1871|Scale Cleen|Sulfamic acid Amidosulfonic acidAmidosulfuric acid|Sulfamidic acid|Sulfamidsaeure|Sulfamidsaure|Sulfaminic acid|Sulphamic acid|sulphamidic acid|UN 2967|UNII-9NFU33906Q|1266250-83-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034005
ARPathway2016 ARPathway2016_1289 Sulfamic acid 5329-14-6 DTXSID6034005 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NS(O)(=O)=O Sulfamic acid 5329-14-6|Sulfamic acid|[S(NH2)O2(OH)]|Acide sulfamidique|acido sulfamidico|Alprojet W|Amidoschwefelsaeure|AMIDOSULFONIC ACID|AMIDOSULFONSAEURE|Amidosulfuric acid|Amidosulphonic acid|Aminesulfonic acid|AMINO-SULFONIC ACID|Aminosulfonic acid|Aminosulfuric acid|Caswell No. 809|EINECS 226-218-8|EPA Pesticide Chemical Code 078101|Imidosulfonic acid|Kyselina amidosulfonova|Kyselina sulfaminova|NSC 1871|Scale Cleen|Sulfamic acid Amidosulfonic acidAmidosulfuric acid|Sulfamidic acid|Sulfamidsaeure|Sulfamidsaure|Sulfaminic acid|Sulphamic acid|sulphamidic acid|UN 2967|UNII-9NFU33906Q|1266250-83-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034005
ERPathway2016 ERPathway2016_1003 Sulfamic acid 5329-14-6 DTXSID6034005 ER Pathway Model, Agonist Model Score 0 Unitless NS(O)(=O)=O Sulfamic acid 5329-14-6|Sulfamic acid|[S(NH2)O2(OH)]|Acide sulfamidique|acido sulfamidico|Alprojet W|Amidoschwefelsaeure|AMIDOSULFONIC ACID|AMIDOSULFONSAEURE|Amidosulfuric acid|Amidosulphonic acid|Aminesulfonic acid|AMINO-SULFONIC ACID|Aminosulfonic acid|Aminosulfuric acid|Caswell No. 809|EINECS 226-218-8|EPA Pesticide Chemical Code 078101|Imidosulfonic acid|Kyselina amidosulfonova|Kyselina sulfaminova|NSC 1871|Scale Cleen|Sulfamic acid Amidosulfonic acidAmidosulfuric acid|Sulfamidic acid|Sulfamidsaeure|Sulfamidsaure|Sulfaminic acid|Sulphamic acid|sulphamidic acid|UN 2967|UNII-9NFU33906Q|1266250-83-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034005
ERPathway2016 ERPathway2016_1003 Sulfamic acid 5329-14-6 DTXSID6034005 ER Pathway Model, Antagonist Model Score 0 Unitless NS(O)(=O)=O Sulfamic acid 5329-14-6|Sulfamic acid|[S(NH2)O2(OH)]|Acide sulfamidique|acido sulfamidico|Alprojet W|Amidoschwefelsaeure|AMIDOSULFONIC ACID|AMIDOSULFONSAEURE|Amidosulfuric acid|Amidosulphonic acid|Aminesulfonic acid|AMINO-SULFONIC ACID|Aminosulfonic acid|Aminosulfuric acid|Caswell No. 809|EINECS 226-218-8|EPA Pesticide Chemical Code 078101|Imidosulfonic acid|Kyselina amidosulfonova|Kyselina sulfaminova|NSC 1871|Scale Cleen|Sulfamic acid Amidosulfonic acidAmidosulfuric acid|Sulfamidic acid|Sulfamidsaeure|Sulfamidsaure|Sulfaminic acid|Sulphamic acid|sulphamidic acid|UN 2967|UNII-9NFU33906Q|1266250-83-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034005
ERPathway2016 ERPathway2016_1003 Sulfamic acid 5329-14-6 DTXSID6034005 ER Pathway Model, Agonist Call Inactive Unitless NS(O)(=O)=O Sulfamic acid 5329-14-6|Sulfamic acid|[S(NH2)O2(OH)]|Acide sulfamidique|acido sulfamidico|Alprojet W|Amidoschwefelsaeure|AMIDOSULFONIC ACID|AMIDOSULFONSAEURE|Amidosulfuric acid|Amidosulphonic acid|Aminesulfonic acid|AMINO-SULFONIC ACID|Aminosulfonic acid|Aminosulfuric acid|Caswell No. 809|EINECS 226-218-8|EPA Pesticide Chemical Code 078101|Imidosulfonic acid|Kyselina amidosulfonova|Kyselina sulfaminova|NSC 1871|Scale Cleen|Sulfamic acid Amidosulfonic acidAmidosulfuric acid|Sulfamidic acid|Sulfamidsaeure|Sulfamidsaure|Sulfaminic acid|Sulphamic acid|sulphamidic acid|UN 2967|UNII-9NFU33906Q|1266250-83-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034005
ERPathway2016 ERPathway2016_1003 Sulfamic acid 5329-14-6 DTXSID6034005 ER Pathway Model, Antagonist Call Inactive Unitless NS(O)(=O)=O Sulfamic acid 5329-14-6|Sulfamic acid|[S(NH2)O2(OH)]|Acide sulfamidique|acido sulfamidico|Alprojet W|Amidoschwefelsaeure|AMIDOSULFONIC ACID|AMIDOSULFONSAEURE|Amidosulfuric acid|Amidosulphonic acid|Aminesulfonic acid|AMINO-SULFONIC ACID|Aminosulfonic acid|Aminosulfuric acid|Caswell No. 809|EINECS 226-218-8|EPA Pesticide Chemical Code 078101|Imidosulfonic acid|Kyselina amidosulfonova|Kyselina sulfaminova|NSC 1871|Scale Cleen|Sulfamic acid Amidosulfonic acidAmidosulfuric acid|Sulfamidic acid|Sulfamidsaeure|Sulfamidsaure|Sulfaminic acid|Sulphamic acid|sulphamidic acid|UN 2967|UNII-9NFU33906Q|1266250-83-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034005
ARPathway2016 ARPathway2016_1376 Sulfaquinoxaline 59-40-5 DTXSID8042424 1.0 A9 AR Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(C=C1)S(=O)(=O)NC1=CN=C2C=CC=CC2=N1 Sulfaquinoxaline 59-40-5|Sulfaquinoxaline|2-(p-Sulfanilamido)quinoxaline|2-p-Aminobenzenesulfonamidoquinoxaline|2-p-Aminobenzenesulphonamidoquinoxaline|2-Sulfanilamidobenzopyrazine|2-Sulfanilamidoquinoxaline|4-Amino-N-2-quinoxalinylbenzenesulfonamide|5-25-11-00125|Avicocid|BRN 0290026|Caswell No. 721|Compound 3-120|EINECS 200-423-2|EPA Pesticide Chemical Code 077901|Italquina|Kokozigal|N-(2-Quinoxalinyl)sulfanilamide|N'-2-Quinoxalylsulfanilamide|N(sup 1)-(2-Quinoxalinyl)sulfanilamide|NSC 41805|Sul-q-nox|Sulfabenzpyrazine|Sulfacox|Sulfaline|Sulfaquinoxalina|Sulfaquinoxalinum|Sulphaquinoxaline|Sulquin|UNII-WNW8115TM9|Ursokoxaline|8027-68-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042424
ARPathway2016 ARPathway2016_1376 Sulfaquinoxaline 59-40-5 DTXSID8042424 1.0 A9 AR Pathway Model, Agonist Model Score 0 Unitless NC1=CC=C(C=C1)S(=O)(=O)NC1=CN=C2C=CC=CC2=N1 Sulfaquinoxaline 59-40-5|Sulfaquinoxaline|2-(p-Sulfanilamido)quinoxaline|2-p-Aminobenzenesulfonamidoquinoxaline|2-p-Aminobenzenesulphonamidoquinoxaline|2-Sulfanilamidobenzopyrazine|2-Sulfanilamidoquinoxaline|4-Amino-N-2-quinoxalinylbenzenesulfonamide|5-25-11-00125|Avicocid|BRN 0290026|Caswell No. 721|Compound 3-120|EINECS 200-423-2|EPA Pesticide Chemical Code 077901|Italquina|Kokozigal|N-(2-Quinoxalinyl)sulfanilamide|N'-2-Quinoxalylsulfanilamide|N(sup 1)-(2-Quinoxalinyl)sulfanilamide|NSC 41805|Sul-q-nox|Sulfabenzpyrazine|Sulfacox|Sulfaline|Sulfaquinoxalina|Sulfaquinoxalinum|Sulphaquinoxaline|Sulquin|UNII-WNW8115TM9|Ursokoxaline|8027-68-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042424
ARPathway2016 ARPathway2016_1376 Sulfaquinoxaline 59-40-5 DTXSID8042424 1.0 A9 AR Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(C=C1)S(=O)(=O)NC1=CN=C2C=CC=CC2=N1 Sulfaquinoxaline 59-40-5|Sulfaquinoxaline|2-(p-Sulfanilamido)quinoxaline|2-p-Aminobenzenesulfonamidoquinoxaline|2-p-Aminobenzenesulphonamidoquinoxaline|2-Sulfanilamidobenzopyrazine|2-Sulfanilamidoquinoxaline|4-Amino-N-2-quinoxalinylbenzenesulfonamide|5-25-11-00125|Avicocid|BRN 0290026|Caswell No. 721|Compound 3-120|EINECS 200-423-2|EPA Pesticide Chemical Code 077901|Italquina|Kokozigal|N-(2-Quinoxalinyl)sulfanilamide|N'-2-Quinoxalylsulfanilamide|N(sup 1)-(2-Quinoxalinyl)sulfanilamide|NSC 41805|Sul-q-nox|Sulfabenzpyrazine|Sulfacox|Sulfaline|Sulfaquinoxalina|Sulfaquinoxalinum|Sulphaquinoxaline|Sulquin|UNII-WNW8115TM9|Ursokoxaline|8027-68-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042424
ARPathway2016 ARPathway2016_1376 Sulfaquinoxaline 59-40-5 DTXSID8042424 1.0 A9 AR Pathway Model, Antagonist Call Inactive Unitless NC1=CC=C(C=C1)S(=O)(=O)NC1=CN=C2C=CC=CC2=N1 Sulfaquinoxaline 59-40-5|Sulfaquinoxaline|2-(p-Sulfanilamido)quinoxaline|2-p-Aminobenzenesulfonamidoquinoxaline|2-p-Aminobenzenesulphonamidoquinoxaline|2-Sulfanilamidobenzopyrazine|2-Sulfanilamidoquinoxaline|4-Amino-N-2-quinoxalinylbenzenesulfonamide|5-25-11-00125|Avicocid|BRN 0290026|Caswell No. 721|Compound 3-120|EINECS 200-423-2|EPA Pesticide Chemical Code 077901|Italquina|Kokozigal|N-(2-Quinoxalinyl)sulfanilamide|N'-2-Quinoxalylsulfanilamide|N(sup 1)-(2-Quinoxalinyl)sulfanilamide|NSC 41805|Sul-q-nox|Sulfabenzpyrazine|Sulfacox|Sulfaline|Sulfaquinoxalina|Sulfaquinoxalinum|Sulphaquinoxaline|Sulquin|UNII-WNW8115TM9|Ursokoxaline|8027-68-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042424
ERPathway2016 ERPathway2016_939 Sulfaquinoxaline 59-40-5 DTXSID8042424 ER Pathway Model, Agonist Model Score 0 Unitless NC1=CC=C(C=C1)S(=O)(=O)NC1=CN=C2C=CC=CC2=N1 Sulfaquinoxaline 59-40-5|Sulfaquinoxaline|2-(p-Sulfanilamido)quinoxaline|2-p-Aminobenzenesulfonamidoquinoxaline|2-p-Aminobenzenesulphonamidoquinoxaline|2-Sulfanilamidobenzopyrazine|2-Sulfanilamidoquinoxaline|4-Amino-N-2-quinoxalinylbenzenesulfonamide|5-25-11-00125|Avicocid|BRN 0290026|Caswell No. 721|Compound 3-120|EINECS 200-423-2|EPA Pesticide Chemical Code 077901|Italquina|Kokozigal|N-(2-Quinoxalinyl)sulfanilamide|N'-2-Quinoxalylsulfanilamide|N(sup 1)-(2-Quinoxalinyl)sulfanilamide|NSC 41805|Sul-q-nox|Sulfabenzpyrazine|Sulfacox|Sulfaline|Sulfaquinoxalina|Sulfaquinoxalinum|Sulphaquinoxaline|Sulquin|UNII-WNW8115TM9|Ursokoxaline|8027-68-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042424
ERPathway2016 ERPathway2016_939 Sulfaquinoxaline 59-40-5 DTXSID8042424 ER Pathway Model, Antagonist Model Score 0 Unitless NC1=CC=C(C=C1)S(=O)(=O)NC1=CN=C2C=CC=CC2=N1 Sulfaquinoxaline 59-40-5|Sulfaquinoxaline|2-(p-Sulfanilamido)quinoxaline|2-p-Aminobenzenesulfonamidoquinoxaline|2-p-Aminobenzenesulphonamidoquinoxaline|2-Sulfanilamidobenzopyrazine|2-Sulfanilamidoquinoxaline|4-Amino-N-2-quinoxalinylbenzenesulfonamide|5-25-11-00125|Avicocid|BRN 0290026|Caswell No. 721|Compound 3-120|EINECS 200-423-2|EPA Pesticide Chemical Code 077901|Italquina|Kokozigal|N-(2-Quinoxalinyl)sulfanilamide|N'-2-Quinoxalylsulfanilamide|N(sup 1)-(2-Quinoxalinyl)sulfanilamide|NSC 41805|Sul-q-nox|Sulfabenzpyrazine|Sulfacox|Sulfaline|Sulfaquinoxalina|Sulfaquinoxalinum|Sulphaquinoxaline|Sulquin|UNII-WNW8115TM9|Ursokoxaline|8027-68-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042424
ERPathway2016 ERPathway2016_939 Sulfaquinoxaline 59-40-5 DTXSID8042424 ER Pathway Model, Agonist Call Inactive Unitless NC1=CC=C(C=C1)S(=O)(=O)NC1=CN=C2C=CC=CC2=N1 Sulfaquinoxaline 59-40-5|Sulfaquinoxaline|2-(p-Sulfanilamido)quinoxaline|2-p-Aminobenzenesulfonamidoquinoxaline|2-p-Aminobenzenesulphonamidoquinoxaline|2-Sulfanilamidobenzopyrazine|2-Sulfanilamidoquinoxaline|4-Amino-N-2-quinoxalinylbenzenesulfonamide|5-25-11-00125|Avicocid|BRN 0290026|Caswell No. 721|Compound 3-120|EINECS 200-423-2|EPA Pesticide Chemical Code 077901|Italquina|Kokozigal|N-(2-Quinoxalinyl)sulfanilamide|N'-2-Quinoxalylsulfanilamide|N(sup 1)-(2-Quinoxalinyl)sulfanilamide|NSC 41805|Sul-q-nox|Sulfabenzpyrazine|Sulfacox|Sulfaline|Sulfaquinoxalina|Sulfaquinoxalinum|Sulphaquinoxaline|Sulquin|UNII-WNW8115TM9|Ursokoxaline|8027-68-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042424
ERPathway2016 ERPathway2016_939 Sulfaquinoxaline 59-40-5 DTXSID8042424 ER Pathway Model, Antagonist Call Inactive Unitless NC1=CC=C(C=C1)S(=O)(=O)NC1=CN=C2C=CC=CC2=N1 Sulfaquinoxaline 59-40-5|Sulfaquinoxaline|2-(p-Sulfanilamido)quinoxaline|2-p-Aminobenzenesulfonamidoquinoxaline|2-p-Aminobenzenesulphonamidoquinoxaline|2-Sulfanilamidobenzopyrazine|2-Sulfanilamidoquinoxaline|4-Amino-N-2-quinoxalinylbenzenesulfonamide|5-25-11-00125|Avicocid|BRN 0290026|Caswell No. 721|Compound 3-120|EINECS 200-423-2|EPA Pesticide Chemical Code 077901|Italquina|Kokozigal|N-(2-Quinoxalinyl)sulfanilamide|N'-2-Quinoxalylsulfanilamide|N(sup 1)-(2-Quinoxalinyl)sulfanilamide|NSC 41805|Sul-q-nox|Sulfabenzpyrazine|Sulfacox|Sulfaline|Sulfaquinoxalina|Sulfaquinoxalinum|Sulphaquinoxaline|Sulquin|UNII-WNW8115TM9|Ursokoxaline|8027-68-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042424
ARPathway2016 ARPathway2016_1384 Sulfasalazine 599-79-1 DTXSID0021256 1.0 A1 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC(=CC=C1O)N=NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1 Sulfasalazine 599-79-1|Sulfasalazine|2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl)azo)benzoic acid|4-(Pyridyl-2-amidosulfonyl)-3'-carboxy-4'-hydroxyazobenzene|5-((p-(2-Pyridylsulfamoyl)phenyl)azo)salicylic acid|5-(4-(2-Pyridylsulfamoyl)phenylazo)-2-hydroxybenzoic acid|5-(p-(2-Pyridylsulfamyl)phenylazo)salicylic acid|5-[4-(2-Pyridylsulfamyl)phenylazo]-2-hydroxybenzoic acid|5-[p-(2-Pyridylsulfamoyl)phenylazo]salicylic acid|5-[p-(2-Pyridylsulfamyl)phenylazo]salicylic acid|5-22-08-00433|Accucol|Asulfidine|Azopyrin|Azopyrine|Azosulfidin|Azulfidine|Azulfidine EN|Azulfidine EN-Tabs|Benzoic acid, 2-hydroxy-5-[[4-[(2-pyridinylamino)sulfonyl]phenyl]azo]-|Benzoic acid, 2-hydroxy-5-[2-[4-[(2-pyridinylamino)sulfonyl]phenyl]diazenyl]-|Benzosulfa|BRN 0356241|Colo-Pleon|EINECS 209-974-3|NSC 203730|NSC 667219|Reupirin|Salazo-sulfapyridinum|Salazopiridazin|Salazopyridin|Salazopyrin|Salazopyrine|salazosulfapiridina|Salazosulfapyridin|Salazosulfapyridine|Salazosulfapyridinum|Salicylazosulfapyridine|Salicylic acid, 5-[[p-(2-pyridylsulfamoyl)phenyl]azo]-|Salisu https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021256 https://doi.org/10.22427/NTP-DATA-DTXSID0021256
ARPathway2016 ARPathway2016_1384 Sulfasalazine 599-79-1 DTXSID0021256 1.0 A1 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC(=CC=C1O)N=NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1 Sulfasalazine 599-79-1|Sulfasalazine|2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl)azo)benzoic acid|4-(Pyridyl-2-amidosulfonyl)-3'-carboxy-4'-hydroxyazobenzene|5-((p-(2-Pyridylsulfamoyl)phenyl)azo)salicylic acid|5-(4-(2-Pyridylsulfamoyl)phenylazo)-2-hydroxybenzoic acid|5-(p-(2-Pyridylsulfamyl)phenylazo)salicylic acid|5-[4-(2-Pyridylsulfamyl)phenylazo]-2-hydroxybenzoic acid|5-[p-(2-Pyridylsulfamoyl)phenylazo]salicylic acid|5-[p-(2-Pyridylsulfamyl)phenylazo]salicylic acid|5-22-08-00433|Accucol|Asulfidine|Azopyrin|Azopyrine|Azosulfidin|Azulfidine|Azulfidine EN|Azulfidine EN-Tabs|Benzoic acid, 2-hydroxy-5-[[4-[(2-pyridinylamino)sulfonyl]phenyl]azo]-|Benzoic acid, 2-hydroxy-5-[2-[4-[(2-pyridinylamino)sulfonyl]phenyl]diazenyl]-|Benzosulfa|BRN 0356241|Colo-Pleon|EINECS 209-974-3|NSC 203730|NSC 667219|Reupirin|Salazo-sulfapyridinum|Salazopiridazin|Salazopyridin|Salazopyrin|Salazopyrine|salazosulfapiridina|Salazosulfapyridin|Salazosulfapyridine|Salazosulfapyridinum|Salicylazosulfapyridine|Salicylic acid, 5-[[p-(2-pyridylsulfamoyl)phenyl]azo]-|Salisu https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021256 https://doi.org/10.22427/NTP-DATA-DTXSID0021256
ARPathway2016 ARPathway2016_1384 Sulfasalazine 599-79-1 DTXSID0021256 1.0 A1 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC(=CC=C1O)N=NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1 Sulfasalazine 599-79-1|Sulfasalazine|2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl)azo)benzoic acid|4-(Pyridyl-2-amidosulfonyl)-3'-carboxy-4'-hydroxyazobenzene|5-((p-(2-Pyridylsulfamoyl)phenyl)azo)salicylic acid|5-(4-(2-Pyridylsulfamoyl)phenylazo)-2-hydroxybenzoic acid|5-(p-(2-Pyridylsulfamyl)phenylazo)salicylic acid|5-[4-(2-Pyridylsulfamyl)phenylazo]-2-hydroxybenzoic acid|5-[p-(2-Pyridylsulfamoyl)phenylazo]salicylic acid|5-[p-(2-Pyridylsulfamyl)phenylazo]salicylic acid|5-22-08-00433|Accucol|Asulfidine|Azopyrin|Azopyrine|Azosulfidin|Azulfidine|Azulfidine EN|Azulfidine EN-Tabs|Benzoic acid, 2-hydroxy-5-[[4-[(2-pyridinylamino)sulfonyl]phenyl]azo]-|Benzoic acid, 2-hydroxy-5-[2-[4-[(2-pyridinylamino)sulfonyl]phenyl]diazenyl]-|Benzosulfa|BRN 0356241|Colo-Pleon|EINECS 209-974-3|NSC 203730|NSC 667219|Reupirin|Salazo-sulfapyridinum|Salazopiridazin|Salazopyridin|Salazopyrin|Salazopyrine|salazosulfapiridina|Salazosulfapyridin|Salazosulfapyridine|Salazosulfapyridinum|Salicylazosulfapyridine|Salicylic acid, 5-[[p-(2-pyridylsulfamoyl)phenyl]azo]-|Salisu https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021256 https://doi.org/10.22427/NTP-DATA-DTXSID0021256
ARPathway2016 ARPathway2016_1384 Sulfasalazine 599-79-1 DTXSID0021256 1.0 A1 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC(=CC=C1O)N=NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1 Sulfasalazine 599-79-1|Sulfasalazine|2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl)azo)benzoic acid|4-(Pyridyl-2-amidosulfonyl)-3'-carboxy-4'-hydroxyazobenzene|5-((p-(2-Pyridylsulfamoyl)phenyl)azo)salicylic acid|5-(4-(2-Pyridylsulfamoyl)phenylazo)-2-hydroxybenzoic acid|5-(p-(2-Pyridylsulfamyl)phenylazo)salicylic acid|5-[4-(2-Pyridylsulfamyl)phenylazo]-2-hydroxybenzoic acid|5-[p-(2-Pyridylsulfamoyl)phenylazo]salicylic acid|5-[p-(2-Pyridylsulfamyl)phenylazo]salicylic acid|5-22-08-00433|Accucol|Asulfidine|Azopyrin|Azopyrine|Azosulfidin|Azulfidine|Azulfidine EN|Azulfidine EN-Tabs|Benzoic acid, 2-hydroxy-5-[[4-[(2-pyridinylamino)sulfonyl]phenyl]azo]-|Benzoic acid, 2-hydroxy-5-[2-[4-[(2-pyridinylamino)sulfonyl]phenyl]diazenyl]-|Benzosulfa|BRN 0356241|Colo-Pleon|EINECS 209-974-3|NSC 203730|NSC 667219|Reupirin|Salazo-sulfapyridinum|Salazopiridazin|Salazopyridin|Salazopyrin|Salazopyrine|salazosulfapiridina|Salazosulfapyridin|Salazosulfapyridine|Salazosulfapyridinum|Salicylazosulfapyridine|Salicylic acid, 5-[[p-(2-pyridylsulfamoyl)phenyl]azo]-|Salisu https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021256 https://doi.org/10.22427/NTP-DATA-DTXSID0021256
ERPathway2016 ERPathway2016_1568 Sulfasalazine 599-79-1 DTXSID0021256 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC(=CC=C1O)N=NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1 Sulfasalazine 599-79-1|Sulfasalazine|2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl)azo)benzoic acid|4-(Pyridyl-2-amidosulfonyl)-3'-carboxy-4'-hydroxyazobenzene|5-((p-(2-Pyridylsulfamoyl)phenyl)azo)salicylic acid|5-(4-(2-Pyridylsulfamoyl)phenylazo)-2-hydroxybenzoic acid|5-(p-(2-Pyridylsulfamyl)phenylazo)salicylic acid|5-[4-(2-Pyridylsulfamyl)phenylazo]-2-hydroxybenzoic acid|5-[p-(2-Pyridylsulfamoyl)phenylazo]salicylic acid|5-[p-(2-Pyridylsulfamyl)phenylazo]salicylic acid|5-22-08-00433|Accucol|Asulfidine|Azopyrin|Azopyrine|Azosulfidin|Azulfidine|Azulfidine EN|Azulfidine EN-Tabs|Benzoic acid, 2-hydroxy-5-[[4-[(2-pyridinylamino)sulfonyl]phenyl]azo]-|Benzoic acid, 2-hydroxy-5-[2-[4-[(2-pyridinylamino)sulfonyl]phenyl]diazenyl]-|Benzosulfa|BRN 0356241|Colo-Pleon|EINECS 209-974-3|NSC 203730|NSC 667219|Reupirin|Salazo-sulfapyridinum|Salazopiridazin|Salazopyridin|Salazopyrin|Salazopyrine|salazosulfapiridina|Salazosulfapyridin|Salazosulfapyridine|Salazosulfapyridinum|Salicylazosulfapyridine|Salicylic acid, 5-[[p-(2-pyridylsulfamoyl)phenyl]azo]-|Salisu https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021256 https://doi.org/10.22427/NTP-DATA-DTXSID0021256
ERPathway2016 ERPathway2016_1568 Sulfasalazine 599-79-1 DTXSID0021256 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC(=CC=C1O)N=NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1 Sulfasalazine 599-79-1|Sulfasalazine|2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl)azo)benzoic acid|4-(Pyridyl-2-amidosulfonyl)-3'-carboxy-4'-hydroxyazobenzene|5-((p-(2-Pyridylsulfamoyl)phenyl)azo)salicylic acid|5-(4-(2-Pyridylsulfamoyl)phenylazo)-2-hydroxybenzoic acid|5-(p-(2-Pyridylsulfamyl)phenylazo)salicylic acid|5-[4-(2-Pyridylsulfamyl)phenylazo]-2-hydroxybenzoic acid|5-[p-(2-Pyridylsulfamoyl)phenylazo]salicylic acid|5-[p-(2-Pyridylsulfamyl)phenylazo]salicylic acid|5-22-08-00433|Accucol|Asulfidine|Azopyrin|Azopyrine|Azosulfidin|Azulfidine|Azulfidine EN|Azulfidine EN-Tabs|Benzoic acid, 2-hydroxy-5-[[4-[(2-pyridinylamino)sulfonyl]phenyl]azo]-|Benzoic acid, 2-hydroxy-5-[2-[4-[(2-pyridinylamino)sulfonyl]phenyl]diazenyl]-|Benzosulfa|BRN 0356241|Colo-Pleon|EINECS 209-974-3|NSC 203730|NSC 667219|Reupirin|Salazo-sulfapyridinum|Salazopiridazin|Salazopyridin|Salazopyrin|Salazopyrine|salazosulfapiridina|Salazosulfapyridin|Salazosulfapyridine|Salazosulfapyridinum|Salicylazosulfapyridine|Salicylic acid, 5-[[p-(2-pyridylsulfamoyl)phenyl]azo]-|Salisu https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021256 https://doi.org/10.22427/NTP-DATA-DTXSID0021256
ERPathway2016 ERPathway2016_1568 Sulfasalazine 599-79-1 DTXSID0021256 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC(=CC=C1O)N=NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1 Sulfasalazine 599-79-1|Sulfasalazine|2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl)azo)benzoic acid|4-(Pyridyl-2-amidosulfonyl)-3'-carboxy-4'-hydroxyazobenzene|5-((p-(2-Pyridylsulfamoyl)phenyl)azo)salicylic acid|5-(4-(2-Pyridylsulfamoyl)phenylazo)-2-hydroxybenzoic acid|5-(p-(2-Pyridylsulfamyl)phenylazo)salicylic acid|5-[4-(2-Pyridylsulfamyl)phenylazo]-2-hydroxybenzoic acid|5-[p-(2-Pyridylsulfamoyl)phenylazo]salicylic acid|5-[p-(2-Pyridylsulfamyl)phenylazo]salicylic acid|5-22-08-00433|Accucol|Asulfidine|Azopyrin|Azopyrine|Azosulfidin|Azulfidine|Azulfidine EN|Azulfidine EN-Tabs|Benzoic acid, 2-hydroxy-5-[[4-[(2-pyridinylamino)sulfonyl]phenyl]azo]-|Benzoic acid, 2-hydroxy-5-[2-[4-[(2-pyridinylamino)sulfonyl]phenyl]diazenyl]-|Benzosulfa|BRN 0356241|Colo-Pleon|EINECS 209-974-3|NSC 203730|NSC 667219|Reupirin|Salazo-sulfapyridinum|Salazopiridazin|Salazopyridin|Salazopyrin|Salazopyrine|salazosulfapiridina|Salazosulfapyridin|Salazosulfapyridine|Salazosulfapyridinum|Salicylazosulfapyridine|Salicylic acid, 5-[[p-(2-pyridylsulfamoyl)phenyl]azo]-|Salisu https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021256 https://doi.org/10.22427/NTP-DATA-DTXSID0021256
ERPathway2016 ERPathway2016_1568 Sulfasalazine 599-79-1 DTXSID0021256 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC(=CC=C1O)N=NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1 Sulfasalazine 599-79-1|Sulfasalazine|2-Hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl)azo)benzoic acid|4-(Pyridyl-2-amidosulfonyl)-3'-carboxy-4'-hydroxyazobenzene|5-((p-(2-Pyridylsulfamoyl)phenyl)azo)salicylic acid|5-(4-(2-Pyridylsulfamoyl)phenylazo)-2-hydroxybenzoic acid|5-(p-(2-Pyridylsulfamyl)phenylazo)salicylic acid|5-[4-(2-Pyridylsulfamyl)phenylazo]-2-hydroxybenzoic acid|5-[p-(2-Pyridylsulfamoyl)phenylazo]salicylic acid|5-[p-(2-Pyridylsulfamyl)phenylazo]salicylic acid|5-22-08-00433|Accucol|Asulfidine|Azopyrin|Azopyrine|Azosulfidin|Azulfidine|Azulfidine EN|Azulfidine EN-Tabs|Benzoic acid, 2-hydroxy-5-[[4-[(2-pyridinylamino)sulfonyl]phenyl]azo]-|Benzoic acid, 2-hydroxy-5-[2-[4-[(2-pyridinylamino)sulfonyl]phenyl]diazenyl]-|Benzosulfa|BRN 0356241|Colo-Pleon|EINECS 209-974-3|NSC 203730|NSC 667219|Reupirin|Salazo-sulfapyridinum|Salazopiridazin|Salazopyridin|Salazopyrin|Salazopyrine|salazosulfapiridina|Salazosulfapyridin|Salazosulfapyridine|Salazosulfapyridinum|Salicylazosulfapyridine|Salicylic acid, 5-[[p-(2-pyridylsulfamoyl)phenyl]azo]-|Salisu https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021256 https://doi.org/10.22427/NTP-DATA-DTXSID0021256
ARPathway2016 ARPathway2016_705 Sulfentrazone 122836-35-5 DTXSID6032645 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=NN(C(=O)N1C(F)F)C1=CC(NS(C)(=O)=O)=C(Cl)C=C1Cl Sulfentrazone 122836-35-5|Sulfentrazone|2',4'-Dichloro-5'-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)methanesulfonanilide|Authority|Authority 75DF|Boral|Capaz|F6285|Methanesulfonamide, N-[2,4-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]-|N-[2,4-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]methanesulfonamide|Spartan|UNII-7TY7WT1599|111991-58-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032645
ARPathway2016 ARPathway2016_705 Sulfentrazone 122836-35-5 DTXSID6032645 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=NN(C(=O)N1C(F)F)C1=CC(NS(C)(=O)=O)=C(Cl)C=C1Cl Sulfentrazone 122836-35-5|Sulfentrazone|2',4'-Dichloro-5'-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)methanesulfonanilide|Authority|Authority 75DF|Boral|Capaz|F6285|Methanesulfonamide, N-[2,4-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]-|N-[2,4-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]methanesulfonamide|Spartan|UNII-7TY7WT1599|111991-58-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032645
ARPathway2016 ARPathway2016_705 Sulfentrazone 122836-35-5 DTXSID6032645 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=NN(C(=O)N1C(F)F)C1=CC(NS(C)(=O)=O)=C(Cl)C=C1Cl Sulfentrazone 122836-35-5|Sulfentrazone|2',4'-Dichloro-5'-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)methanesulfonanilide|Authority|Authority 75DF|Boral|Capaz|F6285|Methanesulfonamide, N-[2,4-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]-|N-[2,4-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]methanesulfonamide|Spartan|UNII-7TY7WT1599|111991-58-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032645
ARPathway2016 ARPathway2016_705 Sulfentrazone 122836-35-5 DTXSID6032645 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=NN(C(=O)N1C(F)F)C1=CC(NS(C)(=O)=O)=C(Cl)C=C1Cl Sulfentrazone 122836-35-5|Sulfentrazone|2',4'-Dichloro-5'-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)methanesulfonanilide|Authority|Authority 75DF|Boral|Capaz|F6285|Methanesulfonamide, N-[2,4-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]-|N-[2,4-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]methanesulfonamide|Spartan|UNII-7TY7WT1599|111991-58-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032645
ERPathway2016 ERPathway2016_1225 Sulfentrazone 122836-35-5 DTXSID6032645 ER Pathway Model, Agonist Model Score 0 Unitless CC1=NN(C(=O)N1C(F)F)C1=CC(NS(C)(=O)=O)=C(Cl)C=C1Cl Sulfentrazone 122836-35-5|Sulfentrazone|2',4'-Dichloro-5'-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)methanesulfonanilide|Authority|Authority 75DF|Boral|Capaz|F6285|Methanesulfonamide, N-[2,4-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]-|N-[2,4-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]methanesulfonamide|Spartan|UNII-7TY7WT1599|111991-58-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032645
ERPathway2016 ERPathway2016_1225 Sulfentrazone 122836-35-5 DTXSID6032645 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=NN(C(=O)N1C(F)F)C1=CC(NS(C)(=O)=O)=C(Cl)C=C1Cl Sulfentrazone 122836-35-5|Sulfentrazone|2',4'-Dichloro-5'-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)methanesulfonanilide|Authority|Authority 75DF|Boral|Capaz|F6285|Methanesulfonamide, N-[2,4-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]-|N-[2,4-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]methanesulfonamide|Spartan|UNII-7TY7WT1599|111991-58-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032645
ERPathway2016 ERPathway2016_1225 Sulfentrazone 122836-35-5 DTXSID6032645 ER Pathway Model, Agonist Call Inactive Unitless CC1=NN(C(=O)N1C(F)F)C1=CC(NS(C)(=O)=O)=C(Cl)C=C1Cl Sulfentrazone 122836-35-5|Sulfentrazone|2',4'-Dichloro-5'-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)methanesulfonanilide|Authority|Authority 75DF|Boral|Capaz|F6285|Methanesulfonamide, N-[2,4-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]-|N-[2,4-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]methanesulfonamide|Spartan|UNII-7TY7WT1599|111991-58-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032645
ERPathway2016 ERPathway2016_1225 Sulfentrazone 122836-35-5 DTXSID6032645 ER Pathway Model, Antagonist Call Inactive Unitless CC1=NN(C(=O)N1C(F)F)C1=CC(NS(C)(=O)=O)=C(Cl)C=C1Cl Sulfentrazone 122836-35-5|Sulfentrazone|2',4'-Dichloro-5'-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)methanesulfonanilide|Authority|Authority 75DF|Boral|Capaz|F6285|Methanesulfonamide, N-[2,4-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]-|N-[2,4-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]methanesulfonamide|Spartan|UNII-7TY7WT1599|111991-58-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032645
ARPathway2016 ARPathway2016_1261 Sulfosuccinic acid 5138-18-1 DTXSID8042426 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CC(C(O)=O)S(O)(=O)=O Sulfosuccinic acid 5138-18-1|Sulfosuccinic acid|2-Sulfosuccinic acid|225-898-3|Acide sulfosuccinique|acido sulfosuccinico|Butanedioic acid, 2-sulfo-|Butanedioic acid, sulfo-|EC No.: 225-898-3|EINECS 225-898-3|Succinic acid, sulfo-|Sulfobernsteinsaure|sulphosuccinic acid|Tegokat S 70|UNII-X769MZ3BBT|181719-29-9|55904-24-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042426
ARPathway2016 ARPathway2016_1261 Sulfosuccinic acid 5138-18-1 DTXSID8042426 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)CC(C(O)=O)S(O)(=O)=O Sulfosuccinic acid 5138-18-1|Sulfosuccinic acid|2-Sulfosuccinic acid|225-898-3|Acide sulfosuccinique|acido sulfosuccinico|Butanedioic acid, 2-sulfo-|Butanedioic acid, sulfo-|EC No.: 225-898-3|EINECS 225-898-3|Succinic acid, sulfo-|Sulfobernsteinsaure|sulphosuccinic acid|Tegokat S 70|UNII-X769MZ3BBT|181719-29-9|55904-24-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042426
ARPathway2016 ARPathway2016_1261 Sulfosuccinic acid 5138-18-1 DTXSID8042426 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)CC(C(O)=O)S(O)(=O)=O Sulfosuccinic acid 5138-18-1|Sulfosuccinic acid|2-Sulfosuccinic acid|225-898-3|Acide sulfosuccinique|acido sulfosuccinico|Butanedioic acid, 2-sulfo-|Butanedioic acid, sulfo-|EC No.: 225-898-3|EINECS 225-898-3|Succinic acid, sulfo-|Sulfobernsteinsaure|sulphosuccinic acid|Tegokat S 70|UNII-X769MZ3BBT|181719-29-9|55904-24-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042426
ARPathway2016 ARPathway2016_1261 Sulfosuccinic acid 5138-18-1 DTXSID8042426 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)CC(C(O)=O)S(O)(=O)=O Sulfosuccinic acid 5138-18-1|Sulfosuccinic acid|2-Sulfosuccinic acid|225-898-3|Acide sulfosuccinique|acido sulfosuccinico|Butanedioic acid, 2-sulfo-|Butanedioic acid, sulfo-|EC No.: 225-898-3|EINECS 225-898-3|Succinic acid, sulfo-|Sulfobernsteinsaure|sulphosuccinic acid|Tegokat S 70|UNII-X769MZ3BBT|181719-29-9|55904-24-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042426
ERPathway2016 ERPathway2016_1506 Sulfosuccinic acid 5138-18-1 DTXSID8042426 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)CC(C(O)=O)S(O)(=O)=O Sulfosuccinic acid 5138-18-1|Sulfosuccinic acid|2-Sulfosuccinic acid|225-898-3|Acide sulfosuccinique|acido sulfosuccinico|Butanedioic acid, 2-sulfo-|Butanedioic acid, sulfo-|EC No.: 225-898-3|EINECS 225-898-3|Succinic acid, sulfo-|Sulfobernsteinsaure|sulphosuccinic acid|Tegokat S 70|UNII-X769MZ3BBT|181719-29-9|55904-24-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042426
ERPathway2016 ERPathway2016_1506 Sulfosuccinic acid 5138-18-1 DTXSID8042426 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CC(C(O)=O)S(O)(=O)=O Sulfosuccinic acid 5138-18-1|Sulfosuccinic acid|2-Sulfosuccinic acid|225-898-3|Acide sulfosuccinique|acido sulfosuccinico|Butanedioic acid, 2-sulfo-|Butanedioic acid, sulfo-|EC No.: 225-898-3|EINECS 225-898-3|Succinic acid, sulfo-|Sulfobernsteinsaure|sulphosuccinic acid|Tegokat S 70|UNII-X769MZ3BBT|181719-29-9|55904-24-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042426
ERPathway2016 ERPathway2016_1506 Sulfosuccinic acid 5138-18-1 DTXSID8042426 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)CC(C(O)=O)S(O)(=O)=O Sulfosuccinic acid 5138-18-1|Sulfosuccinic acid|2-Sulfosuccinic acid|225-898-3|Acide sulfosuccinique|acido sulfosuccinico|Butanedioic acid, 2-sulfo-|Butanedioic acid, sulfo-|EC No.: 225-898-3|EINECS 225-898-3|Succinic acid, sulfo-|Sulfobernsteinsaure|sulphosuccinic acid|Tegokat S 70|UNII-X769MZ3BBT|181719-29-9|55904-24-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042426
ERPathway2016 ERPathway2016_1506 Sulfosuccinic acid 5138-18-1 DTXSID8042426 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)CC(C(O)=O)S(O)(=O)=O Sulfosuccinic acid 5138-18-1|Sulfosuccinic acid|2-Sulfosuccinic acid|225-898-3|Acide sulfosuccinique|acido sulfosuccinico|Butanedioic acid, 2-sulfo-|Butanedioic acid, sulfo-|EC No.: 225-898-3|EINECS 225-898-3|Succinic acid, sulfo-|Sulfobernsteinsaure|sulphosuccinic acid|Tegokat S 70|UNII-X769MZ3BBT|181719-29-9|55904-24-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042426
ARPathway2016 ARPathway2016_1192 Sulisobenzone 4065-45-6 DTXSID2042436 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=C(C=C(C(=O)C2=CC=CC=C2)C(O)=C1)S(O)(=O)=O Sulisobenzone 4065-45-6|Sulisobenzone|1-Phenol-4-sulfonic acid, 2-benzoyl-5-methoxy-|2-Hydroxy-4-methoxy-5-sulfobenzophenone|2-Hydroxy-4-methoxy-benzophenone-5-sulfonic acid|2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid|2-Methoxy-4-hydroxy-5-benzoylbenzenesulfonic acid|223-772-2|3-Benzoyl-4-hydroxy-6-methoxybenzenesulfonic acid|5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid|BENZENESULFONIC ACID, 5-BENZOYL-4-HYDROXY-2- METHOXY-|Benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy-|Benzophenone 4|BP 4|BRN 2889165|EC No. 223-772-2|EINECS 223-772-2|Escalol 577|NSC 60584|Seesorb 101S|Spectra-Sorb UV 284|Sulisobenzon|sulisobenzona|Sungard|Syntase 230|UNII-1W6L629B4K|Uvasorb S 5|Uvinuc ms 40|Uvinul D 5030|Uvinul MS 40|Viosorb 111|197923-35-6|62121-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042436
ARPathway2016 ARPathway2016_1192 Sulisobenzone 4065-45-6 DTXSID2042436 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=C(C=C(C(=O)C2=CC=CC=C2)C(O)=C1)S(O)(=O)=O Sulisobenzone 4065-45-6|Sulisobenzone|1-Phenol-4-sulfonic acid, 2-benzoyl-5-methoxy-|2-Hydroxy-4-methoxy-5-sulfobenzophenone|2-Hydroxy-4-methoxy-benzophenone-5-sulfonic acid|2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid|2-Methoxy-4-hydroxy-5-benzoylbenzenesulfonic acid|223-772-2|3-Benzoyl-4-hydroxy-6-methoxybenzenesulfonic acid|5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid|BENZENESULFONIC ACID, 5-BENZOYL-4-HYDROXY-2- METHOXY-|Benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy-|Benzophenone 4|BP 4|BRN 2889165|EC No. 223-772-2|EINECS 223-772-2|Escalol 577|NSC 60584|Seesorb 101S|Spectra-Sorb UV 284|Sulisobenzon|sulisobenzona|Sungard|Syntase 230|UNII-1W6L629B4K|Uvasorb S 5|Uvinuc ms 40|Uvinul D 5030|Uvinul MS 40|Viosorb 111|197923-35-6|62121-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042436
ARPathway2016 ARPathway2016_1192 Sulisobenzone 4065-45-6 DTXSID2042436 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=C(C=C(C(=O)C2=CC=CC=C2)C(O)=C1)S(O)(=O)=O Sulisobenzone 4065-45-6|Sulisobenzone|1-Phenol-4-sulfonic acid, 2-benzoyl-5-methoxy-|2-Hydroxy-4-methoxy-5-sulfobenzophenone|2-Hydroxy-4-methoxy-benzophenone-5-sulfonic acid|2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid|2-Methoxy-4-hydroxy-5-benzoylbenzenesulfonic acid|223-772-2|3-Benzoyl-4-hydroxy-6-methoxybenzenesulfonic acid|5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid|BENZENESULFONIC ACID, 5-BENZOYL-4-HYDROXY-2- METHOXY-|Benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy-|Benzophenone 4|BP 4|BRN 2889165|EC No. 223-772-2|EINECS 223-772-2|Escalol 577|NSC 60584|Seesorb 101S|Spectra-Sorb UV 284|Sulisobenzon|sulisobenzona|Sungard|Syntase 230|UNII-1W6L629B4K|Uvasorb S 5|Uvinuc ms 40|Uvinul D 5030|Uvinul MS 40|Viosorb 111|197923-35-6|62121-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042436
ARPathway2016 ARPathway2016_1192 Sulisobenzone 4065-45-6 DTXSID2042436 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=C(C=C(C(=O)C2=CC=CC=C2)C(O)=C1)S(O)(=O)=O Sulisobenzone 4065-45-6|Sulisobenzone|1-Phenol-4-sulfonic acid, 2-benzoyl-5-methoxy-|2-Hydroxy-4-methoxy-5-sulfobenzophenone|2-Hydroxy-4-methoxy-benzophenone-5-sulfonic acid|2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid|2-Methoxy-4-hydroxy-5-benzoylbenzenesulfonic acid|223-772-2|3-Benzoyl-4-hydroxy-6-methoxybenzenesulfonic acid|5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid|BENZENESULFONIC ACID, 5-BENZOYL-4-HYDROXY-2- METHOXY-|Benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy-|Benzophenone 4|BP 4|BRN 2889165|EC No. 223-772-2|EINECS 223-772-2|Escalol 577|NSC 60584|Seesorb 101S|Spectra-Sorb UV 284|Sulisobenzon|sulisobenzona|Sungard|Syntase 230|UNII-1W6L629B4K|Uvasorb S 5|Uvinuc ms 40|Uvinul D 5030|Uvinul MS 40|Viosorb 111|197923-35-6|62121-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042436
ERPathway2016 ERPathway2016_922 Sulisobenzone 4065-45-6 DTXSID2042436 ER Pathway Model, Agonist Model Score 0 Unitless COC1=C(C=C(C(=O)C2=CC=CC=C2)C(O)=C1)S(O)(=O)=O Sulisobenzone 4065-45-6|Sulisobenzone|1-Phenol-4-sulfonic acid, 2-benzoyl-5-methoxy-|2-Hydroxy-4-methoxy-5-sulfobenzophenone|2-Hydroxy-4-methoxy-benzophenone-5-sulfonic acid|2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid|2-Methoxy-4-hydroxy-5-benzoylbenzenesulfonic acid|223-772-2|3-Benzoyl-4-hydroxy-6-methoxybenzenesulfonic acid|5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid|BENZENESULFONIC ACID, 5-BENZOYL-4-HYDROXY-2- METHOXY-|Benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy-|Benzophenone 4|BP 4|BRN 2889165|EC No. 223-772-2|EINECS 223-772-2|Escalol 577|NSC 60584|Seesorb 101S|Spectra-Sorb UV 284|Sulisobenzon|sulisobenzona|Sungard|Syntase 230|UNII-1W6L629B4K|Uvasorb S 5|Uvinuc ms 40|Uvinul D 5030|Uvinul MS 40|Viosorb 111|197923-35-6|62121-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042436
ERPathway2016 ERPathway2016_922 Sulisobenzone 4065-45-6 DTXSID2042436 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=C(C=C(C(=O)C2=CC=CC=C2)C(O)=C1)S(O)(=O)=O Sulisobenzone 4065-45-6|Sulisobenzone|1-Phenol-4-sulfonic acid, 2-benzoyl-5-methoxy-|2-Hydroxy-4-methoxy-5-sulfobenzophenone|2-Hydroxy-4-methoxy-benzophenone-5-sulfonic acid|2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid|2-Methoxy-4-hydroxy-5-benzoylbenzenesulfonic acid|223-772-2|3-Benzoyl-4-hydroxy-6-methoxybenzenesulfonic acid|5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid|BENZENESULFONIC ACID, 5-BENZOYL-4-HYDROXY-2- METHOXY-|Benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy-|Benzophenone 4|BP 4|BRN 2889165|EC No. 223-772-2|EINECS 223-772-2|Escalol 577|NSC 60584|Seesorb 101S|Spectra-Sorb UV 284|Sulisobenzon|sulisobenzona|Sungard|Syntase 230|UNII-1W6L629B4K|Uvasorb S 5|Uvinuc ms 40|Uvinul D 5030|Uvinul MS 40|Viosorb 111|197923-35-6|62121-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042436
ERPathway2016 ERPathway2016_922 Sulisobenzone 4065-45-6 DTXSID2042436 ER Pathway Model, Agonist Call Inactive Unitless COC1=C(C=C(C(=O)C2=CC=CC=C2)C(O)=C1)S(O)(=O)=O Sulisobenzone 4065-45-6|Sulisobenzone|1-Phenol-4-sulfonic acid, 2-benzoyl-5-methoxy-|2-Hydroxy-4-methoxy-5-sulfobenzophenone|2-Hydroxy-4-methoxy-benzophenone-5-sulfonic acid|2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid|2-Methoxy-4-hydroxy-5-benzoylbenzenesulfonic acid|223-772-2|3-Benzoyl-4-hydroxy-6-methoxybenzenesulfonic acid|5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid|BENZENESULFONIC ACID, 5-BENZOYL-4-HYDROXY-2- METHOXY-|Benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy-|Benzophenone 4|BP 4|BRN 2889165|EC No. 223-772-2|EINECS 223-772-2|Escalol 577|NSC 60584|Seesorb 101S|Spectra-Sorb UV 284|Sulisobenzon|sulisobenzona|Sungard|Syntase 230|UNII-1W6L629B4K|Uvasorb S 5|Uvinuc ms 40|Uvinul D 5030|Uvinul MS 40|Viosorb 111|197923-35-6|62121-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042436
ERPathway2016 ERPathway2016_922 Sulisobenzone 4065-45-6 DTXSID2042436 ER Pathway Model, Antagonist Call Inactive Unitless COC1=C(C=C(C(=O)C2=CC=CC=C2)C(O)=C1)S(O)(=O)=O Sulisobenzone 4065-45-6|Sulisobenzone|1-Phenol-4-sulfonic acid, 2-benzoyl-5-methoxy-|2-Hydroxy-4-methoxy-5-sulfobenzophenone|2-Hydroxy-4-methoxy-benzophenone-5-sulfonic acid|2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid|2-Methoxy-4-hydroxy-5-benzoylbenzenesulfonic acid|223-772-2|3-Benzoyl-4-hydroxy-6-methoxybenzenesulfonic acid|5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid|BENZENESULFONIC ACID, 5-BENZOYL-4-HYDROXY-2- METHOXY-|Benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy-|Benzophenone 4|BP 4|BRN 2889165|EC No. 223-772-2|EINECS 223-772-2|Escalol 577|NSC 60584|Seesorb 101S|Spectra-Sorb UV 284|Sulisobenzon|sulisobenzona|Sungard|Syntase 230|UNII-1W6L629B4K|Uvasorb S 5|Uvinuc ms 40|Uvinul D 5030|Uvinul MS 40|Viosorb 111|197923-35-6|62121-63-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2042436
ARPathway2016 ARPathway2016_1166 Sulprofos 35400-43-2 DTXSID8032675 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCSP(=S)(OCC)OC1=CC=C(SC)C=C1 Sulprofos 35400-43-2|Sulprofos|BAY-NTN-9306|Bayer NTN 9306|Bolstar|BRN 1990231|Caswell No. 453AA|EINECS 252-545-0|EPA Pesticide Chemical Code 111501|Helothion|Mercaprofos|Mercaprophos|Merpafos|O-Ethyl O-(4-(methylmercapto)phenyl)-S-n-propylphosphorothionothiolate|O-Ethyl O-(4-(methylthio)phenyl) S-propyl phosphorodithioate|O-Ethyl O-(4-(methylthio)phenyl)phosphorodithioic acid S-propyl ester|O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl dithiophosphate|Sulprophos|UNII-FUX2I5F01B|59299-57-9|92642-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032675
ARPathway2016 ARPathway2016_1166 Sulprofos 35400-43-2 DTXSID8032675 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCSP(=S)(OCC)OC1=CC=C(SC)C=C1 Sulprofos 35400-43-2|Sulprofos|BAY-NTN-9306|Bayer NTN 9306|Bolstar|BRN 1990231|Caswell No. 453AA|EINECS 252-545-0|EPA Pesticide Chemical Code 111501|Helothion|Mercaprofos|Mercaprophos|Merpafos|O-Ethyl O-(4-(methylmercapto)phenyl)-S-n-propylphosphorothionothiolate|O-Ethyl O-(4-(methylthio)phenyl) S-propyl phosphorodithioate|O-Ethyl O-(4-(methylthio)phenyl)phosphorodithioic acid S-propyl ester|O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl dithiophosphate|Sulprophos|UNII-FUX2I5F01B|59299-57-9|92642-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032675
ARPathway2016 ARPathway2016_1166 Sulprofos 35400-43-2 DTXSID8032675 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCSP(=S)(OCC)OC1=CC=C(SC)C=C1 Sulprofos 35400-43-2|Sulprofos|BAY-NTN-9306|Bayer NTN 9306|Bolstar|BRN 1990231|Caswell No. 453AA|EINECS 252-545-0|EPA Pesticide Chemical Code 111501|Helothion|Mercaprofos|Mercaprophos|Merpafos|O-Ethyl O-(4-(methylmercapto)phenyl)-S-n-propylphosphorothionothiolate|O-Ethyl O-(4-(methylthio)phenyl) S-propyl phosphorodithioate|O-Ethyl O-(4-(methylthio)phenyl)phosphorodithioic acid S-propyl ester|O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl dithiophosphate|Sulprophos|UNII-FUX2I5F01B|59299-57-9|92642-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032675
ARPathway2016 ARPathway2016_1166 Sulprofos 35400-43-2 DTXSID8032675 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCSP(=S)(OCC)OC1=CC=C(SC)C=C1 Sulprofos 35400-43-2|Sulprofos|BAY-NTN-9306|Bayer NTN 9306|Bolstar|BRN 1990231|Caswell No. 453AA|EINECS 252-545-0|EPA Pesticide Chemical Code 111501|Helothion|Mercaprofos|Mercaprophos|Merpafos|O-Ethyl O-(4-(methylmercapto)phenyl)-S-n-propylphosphorothionothiolate|O-Ethyl O-(4-(methylthio)phenyl) S-propyl phosphorodithioate|O-Ethyl O-(4-(methylthio)phenyl)phosphorodithioic acid S-propyl ester|O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl dithiophosphate|Sulprophos|UNII-FUX2I5F01B|59299-57-9|92642-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032675
ERPathway2016 ERPathway2016_387 Sulprofos 35400-43-2 DTXSID8032675 R6 ER Pathway Model, Antagonist AC50 14.4723577204426 uM CCCSP(=S)(OCC)OC1=CC=C(SC)C=C1 Sulprofos 35400-43-2|Sulprofos|BAY-NTN-9306|Bayer NTN 9306|Bolstar|BRN 1990231|Caswell No. 453AA|EINECS 252-545-0|EPA Pesticide Chemical Code 111501|Helothion|Mercaprofos|Mercaprophos|Merpafos|O-Ethyl O-(4-(methylmercapto)phenyl)-S-n-propylphosphorothionothiolate|O-Ethyl O-(4-(methylthio)phenyl) S-propyl phosphorodithioate|O-Ethyl O-(4-(methylthio)phenyl)phosphorodithioic acid S-propyl ester|O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl dithiophosphate|Sulprophos|UNII-FUX2I5F01B|59299-57-9|92642-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032675
ERPathway2016 ERPathway2016_387 Sulprofos 35400-43-2 DTXSID8032675 R6 ER Pathway Model, Antagonist ACC 10.5389631856834 uM CCCSP(=S)(OCC)OC1=CC=C(SC)C=C1 Sulprofos 35400-43-2|Sulprofos|BAY-NTN-9306|Bayer NTN 9306|Bolstar|BRN 1990231|Caswell No. 453AA|EINECS 252-545-0|EPA Pesticide Chemical Code 111501|Helothion|Mercaprofos|Mercaprophos|Merpafos|O-Ethyl O-(4-(methylmercapto)phenyl)-S-n-propylphosphorothionothiolate|O-Ethyl O-(4-(methylthio)phenyl) S-propyl phosphorodithioate|O-Ethyl O-(4-(methylthio)phenyl)phosphorodithioic acid S-propyl ester|O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl dithiophosphate|Sulprophos|UNII-FUX2I5F01B|59299-57-9|92642-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032675
ERPathway2016 ERPathway2016_387 Sulprofos 35400-43-2 DTXSID8032675 R6 ER Pathway Model, Agonist Model Score 0.0115 Unitless CCCSP(=S)(OCC)OC1=CC=C(SC)C=C1 Sulprofos 35400-43-2|Sulprofos|BAY-NTN-9306|Bayer NTN 9306|Bolstar|BRN 1990231|Caswell No. 453AA|EINECS 252-545-0|EPA Pesticide Chemical Code 111501|Helothion|Mercaprofos|Mercaprophos|Merpafos|O-Ethyl O-(4-(methylmercapto)phenyl)-S-n-propylphosphorothionothiolate|O-Ethyl O-(4-(methylthio)phenyl) S-propyl phosphorodithioate|O-Ethyl O-(4-(methylthio)phenyl)phosphorodithioic acid S-propyl ester|O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl dithiophosphate|Sulprophos|UNII-FUX2I5F01B|59299-57-9|92642-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032675
ERPathway2016 ERPathway2016_387 Sulprofos 35400-43-2 DTXSID8032675 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CCCSP(=S)(OCC)OC1=CC=C(SC)C=C1 Sulprofos 35400-43-2|Sulprofos|BAY-NTN-9306|Bayer NTN 9306|Bolstar|BRN 1990231|Caswell No. 453AA|EINECS 252-545-0|EPA Pesticide Chemical Code 111501|Helothion|Mercaprofos|Mercaprophos|Merpafos|O-Ethyl O-(4-(methylmercapto)phenyl)-S-n-propylphosphorothionothiolate|O-Ethyl O-(4-(methylthio)phenyl) S-propyl phosphorodithioate|O-Ethyl O-(4-(methylthio)phenyl)phosphorodithioic acid S-propyl ester|O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl dithiophosphate|Sulprophos|UNII-FUX2I5F01B|59299-57-9|92642-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032675
ERPathway2016 ERPathway2016_387 Sulprofos 35400-43-2 DTXSID8032675 R6 ER Pathway Model, Agonist Call Inactive Unitless CCCSP(=S)(OCC)OC1=CC=C(SC)C=C1 Sulprofos 35400-43-2|Sulprofos|BAY-NTN-9306|Bayer NTN 9306|Bolstar|BRN 1990231|Caswell No. 453AA|EINECS 252-545-0|EPA Pesticide Chemical Code 111501|Helothion|Mercaprofos|Mercaprophos|Merpafos|O-Ethyl O-(4-(methylmercapto)phenyl)-S-n-propylphosphorothionothiolate|O-Ethyl O-(4-(methylthio)phenyl) S-propyl phosphorodithioate|O-Ethyl O-(4-(methylthio)phenyl)phosphorodithioic acid S-propyl ester|O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl dithiophosphate|Sulprophos|UNII-FUX2I5F01B|59299-57-9|92642-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032675
ERPathway2016 ERPathway2016_387 Sulprofos 35400-43-2 DTXSID8032675 R6 ER Pathway Model, Antagonist Call Active Unitless CCCSP(=S)(OCC)OC1=CC=C(SC)C=C1 Sulprofos 35400-43-2|Sulprofos|BAY-NTN-9306|Bayer NTN 9306|Bolstar|BRN 1990231|Caswell No. 453AA|EINECS 252-545-0|EPA Pesticide Chemical Code 111501|Helothion|Mercaprofos|Mercaprophos|Merpafos|O-Ethyl O-(4-(methylmercapto)phenyl)-S-n-propylphosphorothionothiolate|O-Ethyl O-(4-(methylthio)phenyl) S-propyl phosphorodithioate|O-Ethyl O-(4-(methylthio)phenyl)phosphorodithioic acid S-propyl ester|O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl dithiophosphate|Sulprophos|UNII-FUX2I5F01B|59299-57-9|92642-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8032675
ARPathway2016 ARPathway2016_141 Surinabant 288104-79-0 DTXSID2047357 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist AC50 13.11392877 uM CCC1=C(N(N=C1C(=O)NN1CCCCC1)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Br)C=C1 Surinabant 288104-79-0|Surinabant|SR147778|UNII-SF8R9VCB0X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047357
ARPathway2016 ARPathway2016_141 Surinabant 288104-79-0 DTXSID2047357 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist ACC 15.28875128 uM CCC1=C(N(N=C1C(=O)NN1CCCCC1)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Br)C=C1 Surinabant 288104-79-0|Surinabant|SR147778|UNII-SF8R9VCB0X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047357
ARPathway2016 ARPathway2016_141 Surinabant 288104-79-0 DTXSID2047357 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0525 Unitless CCC1=C(N(N=C1C(=O)NN1CCCCC1)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Br)C=C1 Surinabant 288104-79-0|Surinabant|SR147778|UNII-SF8R9VCB0X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047357
ARPathway2016 ARPathway2016_141 Surinabant 288104-79-0 DTXSID2047357 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCC1=C(N(N=C1C(=O)NN1CCCCC1)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Br)C=C1 Surinabant 288104-79-0|Surinabant|SR147778|UNII-SF8R9VCB0X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047357
ARPathway2016 ARPathway2016_141 Surinabant 288104-79-0 DTXSID2047357 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCC1=C(N(N=C1C(=O)NN1CCCCC1)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Br)C=C1 Surinabant 288104-79-0|Surinabant|SR147778|UNII-SF8R9VCB0X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047357
ARPathway2016 ARPathway2016_141 Surinabant 288104-79-0 DTXSID2047357 True antagonist shift (No hit/Hit) 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCC1=C(N(N=C1C(=O)NN1CCCCC1)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Br)C=C1 Surinabant 288104-79-0|Surinabant|SR147778|UNII-SF8R9VCB0X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047357
ERPathway2016 ERPathway2016_249 Surinabant 288104-79-0 DTXSID2047357 ER Pathway Model, Antagonist AC50 11.3872495705568 uM CCC1=C(N(N=C1C(=O)NN1CCCCC1)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Br)C=C1 Surinabant 288104-79-0|Surinabant|SR147778|UNII-SF8R9VCB0X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047357
ERPathway2016 ERPathway2016_249 Surinabant 288104-79-0 DTXSID2047357 ER Pathway Model, Antagonist ACC 3.24749919262844 uM CCC1=C(N(N=C1C(=O)NN1CCCCC1)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Br)C=C1 Surinabant 288104-79-0|Surinabant|SR147778|UNII-SF8R9VCB0X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047357
ERPathway2016 ERPathway2016_249 Surinabant 288104-79-0 DTXSID2047357 ER Pathway Model, Agonist Model Score 0.0866 Unitless CCC1=C(N(N=C1C(=O)NN1CCCCC1)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Br)C=C1 Surinabant 288104-79-0|Surinabant|SR147778|UNII-SF8R9VCB0X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047357
ERPathway2016 ERPathway2016_249 Surinabant 288104-79-0 DTXSID2047357 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=C(N(N=C1C(=O)NN1CCCCC1)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Br)C=C1 Surinabant 288104-79-0|Surinabant|SR147778|UNII-SF8R9VCB0X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047357
ERPathway2016 ERPathway2016_249 Surinabant 288104-79-0 DTXSID2047357 ER Pathway Model, Agonist Call Inactive Unitless CCC1=C(N(N=C1C(=O)NN1CCCCC1)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Br)C=C1 Surinabant 288104-79-0|Surinabant|SR147778|UNII-SF8R9VCB0X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047357
ERPathway2016 ERPathway2016_249 Surinabant 288104-79-0 DTXSID2047357 ER Pathway Model, Antagonist Call Active Unitless CCC1=C(N(N=C1C(=O)NN1CCCCC1)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Br)C=C1 Surinabant 288104-79-0|Surinabant|SR147778|UNII-SF8R9VCB0X https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047357
ARPathway2016 ARPathway2016_1673 Symclosene 87-90-1 DTXSID2026523 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O Symclosene 87-90-1|Symclosene|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-|1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione|1,3,5-Trichloro-1,3,5-triazine-2,4,6-trione|1,3,5-Trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione|1,3,5-Trichloro-2,4,6-trioxohexahydro-s-triazine|1,3,5-Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione|1,3,5-Trichloro-s-triazinetrione|1,3,5-Trichloroisocyanuric acid|4-26-00-00642|BRN 0202022|Caswell No. 876B|Chloreal|EINECS 201-782-8|EPA Pesticide Chemical Code 081405|Hi-Lite 90G|ISOCYANURIC ACID, TRICHLORO-|Isocyanuric chloride|Kyselina trichloisokyanurova|N,N',N''-Trichloroisocyanuric acid|N,N',N"-Trichloroisocyanuric acid|Neochlor 90|Neochlor 90G|NSC 405124|NSC-405124|s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-|s-Triazine-2,4,6(1H,3H,5H)-trione, trichloro-|sincloseno|Superclean 90TH|Symclosen|Symclosenum|Trichlorinated isocyanuric acid|TRICHLORISOCYANURSAEURE|Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione|TRICHLORO-S-TRIAZINE-TRIONE|Trichloro-s-triazinetrione|TRICHLOROCYANURIC ACID|Trichloroiminocyanuric a|1062228-50-5|499583-31-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026523
ARPathway2016 ARPathway2016_1673 Symclosene 87-90-1 DTXSID2026523 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O Symclosene 87-90-1|Symclosene|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-|1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione|1,3,5-Trichloro-1,3,5-triazine-2,4,6-trione|1,3,5-Trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione|1,3,5-Trichloro-2,4,6-trioxohexahydro-s-triazine|1,3,5-Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione|1,3,5-Trichloro-s-triazinetrione|1,3,5-Trichloroisocyanuric acid|4-26-00-00642|BRN 0202022|Caswell No. 876B|Chloreal|EINECS 201-782-8|EPA Pesticide Chemical Code 081405|Hi-Lite 90G|ISOCYANURIC ACID, TRICHLORO-|Isocyanuric chloride|Kyselina trichloisokyanurova|N,N',N''-Trichloroisocyanuric acid|N,N',N"-Trichloroisocyanuric acid|Neochlor 90|Neochlor 90G|NSC 405124|NSC-405124|s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-|s-Triazine-2,4,6(1H,3H,5H)-trione, trichloro-|sincloseno|Superclean 90TH|Symclosen|Symclosenum|Trichlorinated isocyanuric acid|TRICHLORISOCYANURSAEURE|Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione|TRICHLORO-S-TRIAZINE-TRIONE|Trichloro-s-triazinetrione|TRICHLOROCYANURIC ACID|Trichloroiminocyanuric a|1062228-50-5|499583-31-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026523
ARPathway2016 ARPathway2016_1673 Symclosene 87-90-1 DTXSID2026523 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O Symclosene 87-90-1|Symclosene|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-|1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione|1,3,5-Trichloro-1,3,5-triazine-2,4,6-trione|1,3,5-Trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione|1,3,5-Trichloro-2,4,6-trioxohexahydro-s-triazine|1,3,5-Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione|1,3,5-Trichloro-s-triazinetrione|1,3,5-Trichloroisocyanuric acid|4-26-00-00642|BRN 0202022|Caswell No. 876B|Chloreal|EINECS 201-782-8|EPA Pesticide Chemical Code 081405|Hi-Lite 90G|ISOCYANURIC ACID, TRICHLORO-|Isocyanuric chloride|Kyselina trichloisokyanurova|N,N',N''-Trichloroisocyanuric acid|N,N',N"-Trichloroisocyanuric acid|Neochlor 90|Neochlor 90G|NSC 405124|NSC-405124|s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-|s-Triazine-2,4,6(1H,3H,5H)-trione, trichloro-|sincloseno|Superclean 90TH|Symclosen|Symclosenum|Trichlorinated isocyanuric acid|TRICHLORISOCYANURSAEURE|Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione|TRICHLORO-S-TRIAZINE-TRIONE|Trichloro-s-triazinetrione|TRICHLOROCYANURIC ACID|Trichloroiminocyanuric a|1062228-50-5|499583-31-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026523
ARPathway2016 ARPathway2016_1673 Symclosene 87-90-1 DTXSID2026523 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O Symclosene 87-90-1|Symclosene|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-|1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione|1,3,5-Trichloro-1,3,5-triazine-2,4,6-trione|1,3,5-Trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione|1,3,5-Trichloro-2,4,6-trioxohexahydro-s-triazine|1,3,5-Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione|1,3,5-Trichloro-s-triazinetrione|1,3,5-Trichloroisocyanuric acid|4-26-00-00642|BRN 0202022|Caswell No. 876B|Chloreal|EINECS 201-782-8|EPA Pesticide Chemical Code 081405|Hi-Lite 90G|ISOCYANURIC ACID, TRICHLORO-|Isocyanuric chloride|Kyselina trichloisokyanurova|N,N',N''-Trichloroisocyanuric acid|N,N',N"-Trichloroisocyanuric acid|Neochlor 90|Neochlor 90G|NSC 405124|NSC-405124|s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-|s-Triazine-2,4,6(1H,3H,5H)-trione, trichloro-|sincloseno|Superclean 90TH|Symclosen|Symclosenum|Trichlorinated isocyanuric acid|TRICHLORISOCYANURSAEURE|Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione|TRICHLORO-S-TRIAZINE-TRIONE|Trichloro-s-triazinetrione|TRICHLOROCYANURIC ACID|Trichloroiminocyanuric a|1062228-50-5|499583-31-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026523
ERPathway2016 ERPathway2016_1721 Symclosene 87-90-1 DTXSID2026523 ER Pathway Model, Agonist Model Score 0 Unitless ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O Symclosene 87-90-1|Symclosene|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-|1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione|1,3,5-Trichloro-1,3,5-triazine-2,4,6-trione|1,3,5-Trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione|1,3,5-Trichloro-2,4,6-trioxohexahydro-s-triazine|1,3,5-Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione|1,3,5-Trichloro-s-triazinetrione|1,3,5-Trichloroisocyanuric acid|4-26-00-00642|BRN 0202022|Caswell No. 876B|Chloreal|EINECS 201-782-8|EPA Pesticide Chemical Code 081405|Hi-Lite 90G|ISOCYANURIC ACID, TRICHLORO-|Isocyanuric chloride|Kyselina trichloisokyanurova|N,N',N''-Trichloroisocyanuric acid|N,N',N"-Trichloroisocyanuric acid|Neochlor 90|Neochlor 90G|NSC 405124|NSC-405124|s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-|s-Triazine-2,4,6(1H,3H,5H)-trione, trichloro-|sincloseno|Superclean 90TH|Symclosen|Symclosenum|Trichlorinated isocyanuric acid|TRICHLORISOCYANURSAEURE|Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione|TRICHLORO-S-TRIAZINE-TRIONE|Trichloro-s-triazinetrione|TRICHLOROCYANURIC ACID|Trichloroiminocyanuric a|1062228-50-5|499583-31-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026523
ERPathway2016 ERPathway2016_1721 Symclosene 87-90-1 DTXSID2026523 ER Pathway Model, Antagonist Model Score 0 Unitless ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O Symclosene 87-90-1|Symclosene|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-|1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione|1,3,5-Trichloro-1,3,5-triazine-2,4,6-trione|1,3,5-Trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione|1,3,5-Trichloro-2,4,6-trioxohexahydro-s-triazine|1,3,5-Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione|1,3,5-Trichloro-s-triazinetrione|1,3,5-Trichloroisocyanuric acid|4-26-00-00642|BRN 0202022|Caswell No. 876B|Chloreal|EINECS 201-782-8|EPA Pesticide Chemical Code 081405|Hi-Lite 90G|ISOCYANURIC ACID, TRICHLORO-|Isocyanuric chloride|Kyselina trichloisokyanurova|N,N',N''-Trichloroisocyanuric acid|N,N',N"-Trichloroisocyanuric acid|Neochlor 90|Neochlor 90G|NSC 405124|NSC-405124|s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-|s-Triazine-2,4,6(1H,3H,5H)-trione, trichloro-|sincloseno|Superclean 90TH|Symclosen|Symclosenum|Trichlorinated isocyanuric acid|TRICHLORISOCYANURSAEURE|Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione|TRICHLORO-S-TRIAZINE-TRIONE|Trichloro-s-triazinetrione|TRICHLOROCYANURIC ACID|Trichloroiminocyanuric a|1062228-50-5|499583-31-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026523
ERPathway2016 ERPathway2016_1721 Symclosene 87-90-1 DTXSID2026523 ER Pathway Model, Agonist Call Inactive Unitless ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O Symclosene 87-90-1|Symclosene|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-|1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione|1,3,5-Trichloro-1,3,5-triazine-2,4,6-trione|1,3,5-Trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione|1,3,5-Trichloro-2,4,6-trioxohexahydro-s-triazine|1,3,5-Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione|1,3,5-Trichloro-s-triazinetrione|1,3,5-Trichloroisocyanuric acid|4-26-00-00642|BRN 0202022|Caswell No. 876B|Chloreal|EINECS 201-782-8|EPA Pesticide Chemical Code 081405|Hi-Lite 90G|ISOCYANURIC ACID, TRICHLORO-|Isocyanuric chloride|Kyselina trichloisokyanurova|N,N',N''-Trichloroisocyanuric acid|N,N',N"-Trichloroisocyanuric acid|Neochlor 90|Neochlor 90G|NSC 405124|NSC-405124|s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-|s-Triazine-2,4,6(1H,3H,5H)-trione, trichloro-|sincloseno|Superclean 90TH|Symclosen|Symclosenum|Trichlorinated isocyanuric acid|TRICHLORISOCYANURSAEURE|Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione|TRICHLORO-S-TRIAZINE-TRIONE|Trichloro-s-triazinetrione|TRICHLOROCYANURIC ACID|Trichloroiminocyanuric a|1062228-50-5|499583-31-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026523
ERPathway2016 ERPathway2016_1721 Symclosene 87-90-1 DTXSID2026523 ER Pathway Model, Antagonist Call Inactive Unitless ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O Symclosene 87-90-1|Symclosene|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-|1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione|1,3,5-Trichloro-1,3,5-triazine-2,4,6-trione|1,3,5-Trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione|1,3,5-Trichloro-2,4,6-trioxohexahydro-s-triazine|1,3,5-Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione|1,3,5-Trichloro-s-triazinetrione|1,3,5-Trichloroisocyanuric acid|4-26-00-00642|BRN 0202022|Caswell No. 876B|Chloreal|EINECS 201-782-8|EPA Pesticide Chemical Code 081405|Hi-Lite 90G|ISOCYANURIC ACID, TRICHLORO-|Isocyanuric chloride|Kyselina trichloisokyanurova|N,N',N''-Trichloroisocyanuric acid|N,N',N"-Trichloroisocyanuric acid|Neochlor 90|Neochlor 90G|NSC 405124|NSC-405124|s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-|s-Triazine-2,4,6(1H,3H,5H)-trione, trichloro-|sincloseno|Superclean 90TH|Symclosen|Symclosenum|Trichlorinated isocyanuric acid|TRICHLORISOCYANURSAEURE|Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione|TRICHLORO-S-TRIAZINE-TRIONE|Trichloro-s-triazinetrione|TRICHLOROCYANURIC ACID|Trichloroiminocyanuric a|1062228-50-5|499583-31-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026523
ARPathway2016 ARPathway2016_10 Tamoxifen 10540-29-1 DTXSID1034187 True antagonist shift (No hit/Hit) 3.0 A1 AR Pathway Model, Agonist AC50 24.2915318708767 uM CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen 10540-29-1|Tamoxifen|(Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine|(Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine|(Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine|1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|2-[4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine|Citofen|Crisafeno|EINECS 234-118-0|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-|Ethylamine, 2-[p-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|ICI 47699|Istubol|Mammaton|Novaldex|Oncomox|rans-Tamoxifen|Retaxim|Tamizam|Tamoxen|tamoxifen|Tamoxifen and its salts|tamoxifene|tamoxifeno|Tamoxifenum|trans-Tamoxifen|UNII-094ZI81Y45|Valodex|Z-Tamoxifen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034187
ARPathway2016 ARPathway2016_10 Tamoxifen 10540-29-1 DTXSID1034187 True antagonist shift (No hit/Hit) 3.0 A1 AR Pathway Model, Agonist ACC 22.6488883098386 uM CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen 10540-29-1|Tamoxifen|(Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine|(Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine|(Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine|1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|2-[4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine|Citofen|Crisafeno|EINECS 234-118-0|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-|Ethylamine, 2-[p-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|ICI 47699|Istubol|Mammaton|Novaldex|Oncomox|rans-Tamoxifen|Retaxim|Tamizam|Tamoxen|tamoxifen|Tamoxifen and its salts|tamoxifene|tamoxifeno|Tamoxifenum|trans-Tamoxifen|UNII-094ZI81Y45|Valodex|Z-Tamoxifen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034187
ARPathway2016 ARPathway2016_10 Tamoxifen 10540-29-1 DTXSID1034187 True antagonist shift (No hit/Hit) 3.0 A1 AR Pathway Model, Antagonist Model Score 0.0418 Unitless CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen 10540-29-1|Tamoxifen|(Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine|(Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine|(Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine|1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|2-[4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine|Citofen|Crisafeno|EINECS 234-118-0|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-|Ethylamine, 2-[p-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|ICI 47699|Istubol|Mammaton|Novaldex|Oncomox|rans-Tamoxifen|Retaxim|Tamizam|Tamoxen|tamoxifen|Tamoxifen and its salts|tamoxifene|tamoxifeno|Tamoxifenum|trans-Tamoxifen|UNII-094ZI81Y45|Valodex|Z-Tamoxifen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034187
ARPathway2016 ARPathway2016_10 Tamoxifen 10540-29-1 DTXSID1034187 True antagonist shift (No hit/Hit) 3.0 A1 AR Pathway Model, Agonist Model Score 0.0335 Unitless CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen 10540-29-1|Tamoxifen|(Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine|(Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine|(Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine|1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|2-[4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine|Citofen|Crisafeno|EINECS 234-118-0|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-|Ethylamine, 2-[p-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|ICI 47699|Istubol|Mammaton|Novaldex|Oncomox|rans-Tamoxifen|Retaxim|Tamizam|Tamoxen|tamoxifen|Tamoxifen and its salts|tamoxifene|tamoxifeno|Tamoxifenum|trans-Tamoxifen|UNII-094ZI81Y45|Valodex|Z-Tamoxifen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034187
ARPathway2016 ARPathway2016_10 Tamoxifen 10540-29-1 DTXSID1034187 True antagonist shift (No hit/Hit) 3.0 A1 AR Pathway Model, Agonist Call Active Unitless CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen 10540-29-1|Tamoxifen|(Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine|(Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine|(Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine|1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|2-[4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine|Citofen|Crisafeno|EINECS 234-118-0|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-|Ethylamine, 2-[p-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|ICI 47699|Istubol|Mammaton|Novaldex|Oncomox|rans-Tamoxifen|Retaxim|Tamizam|Tamoxen|tamoxifen|Tamoxifen and its salts|tamoxifene|tamoxifeno|Tamoxifenum|trans-Tamoxifen|UNII-094ZI81Y45|Valodex|Z-Tamoxifen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034187
ARPathway2016 ARPathway2016_10 Tamoxifen 10540-29-1 DTXSID1034187 True antagonist shift (No hit/Hit) 3.0 A1 AR Pathway Model, Antagonist Call Inactive Unitless CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen 10540-29-1|Tamoxifen|(Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine|(Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine|(Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine|1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|2-[4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine|Citofen|Crisafeno|EINECS 234-118-0|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-|Ethylamine, 2-[p-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|ICI 47699|Istubol|Mammaton|Novaldex|Oncomox|rans-Tamoxifen|Retaxim|Tamizam|Tamoxen|tamoxifen|Tamoxifen and its salts|tamoxifene|tamoxifeno|Tamoxifenum|trans-Tamoxifen|UNII-094ZI81Y45|Valodex|Z-Tamoxifen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034187
ERPathway2016 ERPathway2016_10 Tamoxifen 10540-29-1 DTXSID1034187 Antagonist ER Pathway Model, Agonist AC50 0.277293885341204 uM CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen 10540-29-1|Tamoxifen|(Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine|(Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine|(Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine|1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|2-[4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine|Citofen|Crisafeno|EINECS 234-118-0|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-|Ethylamine, 2-[p-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|ICI 47699|Istubol|Mammaton|Novaldex|Oncomox|rans-Tamoxifen|Retaxim|Tamizam|Tamoxen|tamoxifen|Tamoxifen and its salts|tamoxifene|tamoxifeno|Tamoxifenum|trans-Tamoxifen|UNII-094ZI81Y45|Valodex|Z-Tamoxifen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034187
ERPathway2016 ERPathway2016_10 Tamoxifen 10540-29-1 DTXSID1034187 Antagonist ER Pathway Model, Agonist ACC 0.0164867561341695 uM CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen 10540-29-1|Tamoxifen|(Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine|(Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine|(Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine|1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|2-[4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine|Citofen|Crisafeno|EINECS 234-118-0|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-|Ethylamine, 2-[p-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|ICI 47699|Istubol|Mammaton|Novaldex|Oncomox|rans-Tamoxifen|Retaxim|Tamizam|Tamoxen|tamoxifen|Tamoxifen and its salts|tamoxifene|tamoxifeno|Tamoxifenum|trans-Tamoxifen|UNII-094ZI81Y45|Valodex|Z-Tamoxifen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034187
ERPathway2016 ERPathway2016_10 Tamoxifen 10540-29-1 DTXSID1034187 Antagonist ER Pathway Model, Agonist Model Score 0.0199 Unitless CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen 10540-29-1|Tamoxifen|(Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine|(Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine|(Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine|1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|2-[4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine|Citofen|Crisafeno|EINECS 234-118-0|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-|Ethylamine, 2-[p-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|ICI 47699|Istubol|Mammaton|Novaldex|Oncomox|rans-Tamoxifen|Retaxim|Tamizam|Tamoxen|tamoxifen|Tamoxifen and its salts|tamoxifene|tamoxifeno|Tamoxifenum|trans-Tamoxifen|UNII-094ZI81Y45|Valodex|Z-Tamoxifen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034187
ERPathway2016 ERPathway2016_10 Tamoxifen 10540-29-1 DTXSID1034187 Antagonist ER Pathway Model, Antagonist Model Score 0.447 Unitless CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen 10540-29-1|Tamoxifen|(Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine|(Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine|(Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine|1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|2-[4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine|Citofen|Crisafeno|EINECS 234-118-0|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-|Ethylamine, 2-[p-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|ICI 47699|Istubol|Mammaton|Novaldex|Oncomox|rans-Tamoxifen|Retaxim|Tamizam|Tamoxen|tamoxifen|Tamoxifen and its salts|tamoxifene|tamoxifeno|Tamoxifenum|trans-Tamoxifen|UNII-094ZI81Y45|Valodex|Z-Tamoxifen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034187
ERPathway2016 ERPathway2016_10 Tamoxifen 10540-29-1 DTXSID1034187 Antagonist ER Pathway Model, Agonist Call Active Unitless CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen 10540-29-1|Tamoxifen|(Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine|(Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine|(Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine|1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|2-[4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine|Citofen|Crisafeno|EINECS 234-118-0|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-|Ethylamine, 2-[p-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|ICI 47699|Istubol|Mammaton|Novaldex|Oncomox|rans-Tamoxifen|Retaxim|Tamizam|Tamoxen|tamoxifen|Tamoxifen and its salts|tamoxifene|tamoxifeno|Tamoxifenum|trans-Tamoxifen|UNII-094ZI81Y45|Valodex|Z-Tamoxifen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034187
ERPathway2016 ERPathway2016_10 Tamoxifen 10540-29-1 DTXSID1034187 Antagonist ER Pathway Model, Antagonist Call Inactive Unitless CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen 10540-29-1|Tamoxifen|(Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine|(Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine|(Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine|1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene|2-[4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine|Citofen|Crisafeno|EINECS 234-118-0|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-|Ethylamine, 2-[p-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-|ICI 47699|Istubol|Mammaton|Novaldex|Oncomox|rans-Tamoxifen|Retaxim|Tamizam|Tamoxen|tamoxifen|Tamoxifen and its salts|tamoxifene|tamoxifeno|Tamoxifenum|trans-Tamoxifen|UNII-094ZI81Y45|Valodex|Z-Tamoxifen https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034187
ARPathway2016 ARPathway2016_208 Tamoxifen citrate 54965-24-1 DTXSID8021301 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 21.1537134389984 uM OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen citrate 54965-24-1|Tamoxifen citrate|(Z)-(2-(4-(1,2-Diphenylbut-1-enyl)phenoxy)ethyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-2-(p-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1)|Apo-Tamox|Caditam|EC No.: 259-415-2|EINECS 259-415-2|Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Farmifeno|Ginarsan|I.C.I.46474 citrate|ICI 46474|Istubal|Jenoxifen|Kessar|Ledertam|Noltam||7244-97-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021301 https://doi.org/10.22427/NTP-DATA-DTXSID8021301
ARPathway2016 ARPathway2016_208 Tamoxifen citrate 54965-24-1 DTXSID8021301 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 16.15639388 uM OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen citrate 54965-24-1|Tamoxifen citrate|(Z)-(2-(4-(1,2-Diphenylbut-1-enyl)phenoxy)ethyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-2-(p-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1)|Apo-Tamox|Caditam|EC No.: 259-415-2|EINECS 259-415-2|Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Farmifeno|Ginarsan|I.C.I.46474 citrate|ICI 46474|Istubal|Jenoxifen|Kessar|Ledertam|Noltam||7244-97-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021301 https://doi.org/10.22427/NTP-DATA-DTXSID8021301
ARPathway2016 ARPathway2016_208 Tamoxifen citrate 54965-24-1 DTXSID8021301 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0706 Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen citrate 54965-24-1|Tamoxifen citrate|(Z)-(2-(4-(1,2-Diphenylbut-1-enyl)phenoxy)ethyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-2-(p-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1)|Apo-Tamox|Caditam|EC No.: 259-415-2|EINECS 259-415-2|Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Farmifeno|Ginarsan|I.C.I.46474 citrate|ICI 46474|Istubal|Jenoxifen|Kessar|Ledertam|Noltam||7244-97-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021301 https://doi.org/10.22427/NTP-DATA-DTXSID8021301
ARPathway2016 ARPathway2016_208 Tamoxifen citrate 54965-24-1 DTXSID8021301 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0.0246 Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen citrate 54965-24-1|Tamoxifen citrate|(Z)-(2-(4-(1,2-Diphenylbut-1-enyl)phenoxy)ethyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-2-(p-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1)|Apo-Tamox|Caditam|EC No.: 259-415-2|EINECS 259-415-2|Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Farmifeno|Ginarsan|I.C.I.46474 citrate|ICI 46474|Istubal|Jenoxifen|Kessar|Ledertam|Noltam||7244-97-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021301 https://doi.org/10.22427/NTP-DATA-DTXSID8021301
ARPathway2016 ARPathway2016_208 Tamoxifen citrate 54965-24-1 DTXSID8021301 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen citrate 54965-24-1|Tamoxifen citrate|(Z)-(2-(4-(1,2-Diphenylbut-1-enyl)phenoxy)ethyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-2-(p-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1)|Apo-Tamox|Caditam|EC No.: 259-415-2|EINECS 259-415-2|Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Farmifeno|Ginarsan|I.C.I.46474 citrate|ICI 46474|Istubal|Jenoxifen|Kessar|Ledertam|Noltam||7244-97-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021301 https://doi.org/10.22427/NTP-DATA-DTXSID8021301
ARPathway2016 ARPathway2016_208 Tamoxifen citrate 54965-24-1 DTXSID8021301 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen citrate 54965-24-1|Tamoxifen citrate|(Z)-(2-(4-(1,2-Diphenylbut-1-enyl)phenoxy)ethyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-2-(p-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1)|Apo-Tamox|Caditam|EC No.: 259-415-2|EINECS 259-415-2|Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Farmifeno|Ginarsan|I.C.I.46474 citrate|ICI 46474|Istubal|Jenoxifen|Kessar|Ledertam|Noltam||7244-97-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021301 https://doi.org/10.22427/NTP-DATA-DTXSID8021301
ERPathway2016 ERPathway2016_4 Tamoxifen citrate 54965-24-1 DTXSID8021301 Antagonist ER Pathway Model, Agonist AC50 0.159734154358465 uM OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen citrate 54965-24-1|Tamoxifen citrate|(Z)-(2-(4-(1,2-Diphenylbut-1-enyl)phenoxy)ethyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-2-(p-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1)|Apo-Tamox|Caditam|EC No.: 259-415-2|EINECS 259-415-2|Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Farmifeno|Ginarsan|I.C.I.46474 citrate|ICI 46474|Istubal|Jenoxifen|Kessar|Ledertam|Noltam||7244-97-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021301 https://doi.org/10.22427/NTP-DATA-DTXSID8021301
ERPathway2016 ERPathway2016_4 Tamoxifen citrate 54965-24-1 DTXSID8021301 Antagonist ER Pathway Model, Agonist ACC 0.0013751992626036 uM OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen citrate 54965-24-1|Tamoxifen citrate|(Z)-(2-(4-(1,2-Diphenylbut-1-enyl)phenoxy)ethyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-2-(p-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1)|Apo-Tamox|Caditam|EC No.: 259-415-2|EINECS 259-415-2|Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Farmifeno|Ginarsan|I.C.I.46474 citrate|ICI 46474|Istubal|Jenoxifen|Kessar|Ledertam|Noltam||7244-97-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021301 https://doi.org/10.22427/NTP-DATA-DTXSID8021301
ERPathway2016 ERPathway2016_4 Tamoxifen citrate 54965-24-1 DTXSID8021301 Antagonist ER Pathway Model, Agonist Model Score 0.027 Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen citrate 54965-24-1|Tamoxifen citrate|(Z)-(2-(4-(1,2-Diphenylbut-1-enyl)phenoxy)ethyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-2-(p-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1)|Apo-Tamox|Caditam|EC No.: 259-415-2|EINECS 259-415-2|Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Farmifeno|Ginarsan|I.C.I.46474 citrate|ICI 46474|Istubal|Jenoxifen|Kessar|Ledertam|Noltam||7244-97-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021301 https://doi.org/10.22427/NTP-DATA-DTXSID8021301
ERPathway2016 ERPathway2016_4 Tamoxifen citrate 54965-24-1 DTXSID8021301 Antagonist ER Pathway Model, Antagonist Model Score 0.546 Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen citrate 54965-24-1|Tamoxifen citrate|(Z)-(2-(4-(1,2-Diphenylbut-1-enyl)phenoxy)ethyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-2-(p-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1)|Apo-Tamox|Caditam|EC No.: 259-415-2|EINECS 259-415-2|Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Farmifeno|Ginarsan|I.C.I.46474 citrate|ICI 46474|Istubal|Jenoxifen|Kessar|Ledertam|Noltam||7244-97-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021301 https://doi.org/10.22427/NTP-DATA-DTXSID8021301
ERPathway2016 ERPathway2016_4 Tamoxifen citrate 54965-24-1 DTXSID8021301 Antagonist ER Pathway Model, Agonist Call Active Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen citrate 54965-24-1|Tamoxifen citrate|(Z)-(2-(4-(1,2-Diphenylbut-1-enyl)phenoxy)ethyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-2-(p-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1)|Apo-Tamox|Caditam|EC No.: 259-415-2|EINECS 259-415-2|Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Farmifeno|Ginarsan|I.C.I.46474 citrate|ICI 46474|Istubal|Jenoxifen|Kessar|Ledertam|Noltam||7244-97-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021301 https://doi.org/10.22427/NTP-DATA-DTXSID8021301
ERPathway2016 ERPathway2016_4 Tamoxifen citrate 54965-24-1 DTXSID8021301 Antagonist ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 Tamoxifen citrate 54965-24-1|Tamoxifen citrate|(Z)-(2-(4-(1,2-Diphenylbut-1-enyl)phenoxy)ethyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|(Z)-2-(p-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1)|Apo-Tamox|Caditam|EC No.: 259-415-2|EINECS 259-415-2|Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|Farmifeno|Ginarsan|I.C.I.46474 citrate|ICI 46474|Istubal|Jenoxifen|Kessar|Ledertam|Noltam||7244-97-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8021301 https://doi.org/10.22427/NTP-DATA-DTXSID8021301
ARPathway2016 ARPathway2016_351 Tannic acid 1401-55-4 DTXSID2026076 FLAG: Wrong direction (Hit/No hit) 0.0 Agonist AR Pathway Model, Antagonist ACC 0.500371649 uM Tannic acid 1401-55-4|Tannic acid|Acacia mollissima tannin|Acid, tannic|Acide tannique|AL (tannin)|Arbor Lock 20|Bondtite 241|Bondtite 345|Bondtite 645|Brewtan|Brewtan C|Castanea sativa Mill tannin|Caswell No. 819|Colatan GT 100|Crown ATO|d'Acide tannique|DT-R 240|EC 618-958-9|EC 923-505-6|EC 925-288-3|EINECS 215-753-2|EPA Pesticide Chemical Code 078502|Excellence Vintage|F-Tannin|FEMA No. 3042|Fintan OP|Floctan 1|Floctan 3|Fresh Shiraimatsu FS 500M|Gallotannic acids|Gallotannin|Gallotannins|Glycerite|Hifix 45|Hifix SL|Hifix SLA|Hifix SW-A|HLE 100|Kakitafu|Lexsod P|Liquidambar styraciflua|Makubunri Seisei Kaki Tannin H 1|MP-TR|NSC 656273|Pancil|Pancil FG 22|Pancil FG 30|Pancil FG 70|Quebracho wood extract|Quertanil|Resorcinex Pecan Tannin 9901L|Schinopsis lorentzii tannin|Sunlife TN|Tanal 02C|Tanal 1|Tanaphen P 500|Tanex A-FCC|Tanex RS 93|Tannic acid (Quercus spp.)|Tannic acid AL|Tannic Acid KT|Tannic Acid ME|Tannic Acid X|Tannic acids|Tannic acids, gallo-|Tannin|Tannin analysis|Tannin from chestnut|Tannin from mimosa|Tannin from quebracho|Ta|1041198-33-7|1041198-44-0|61790-06-5|67167-65-1|73891-88-0|93615-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026076 https://doi.org/10.22427/NTP-DATA-DTXSID2026076
ARPathway2016 ARPathway2016_351 Tannic acid 1401-55-4 DTXSID2026076 FLAG: Wrong direction (Hit/No hit) 0.0 Agonist AR Pathway Model, Antagonist AC50 1.113317166 uM Tannic acid 1401-55-4|Tannic acid|Acacia mollissima tannin|Acid, tannic|Acide tannique|AL (tannin)|Arbor Lock 20|Bondtite 241|Bondtite 345|Bondtite 645|Brewtan|Brewtan C|Castanea sativa Mill tannin|Caswell No. 819|Colatan GT 100|Crown ATO|d'Acide tannique|DT-R 240|EC 618-958-9|EC 923-505-6|EC 925-288-3|EINECS 215-753-2|EPA Pesticide Chemical Code 078502|Excellence Vintage|F-Tannin|FEMA No. 3042|Fintan OP|Floctan 1|Floctan 3|Fresh Shiraimatsu FS 500M|Gallotannic acids|Gallotannin|Gallotannins|Glycerite|Hifix 45|Hifix SL|Hifix SLA|Hifix SW-A|HLE 100|Kakitafu|Lexsod P|Liquidambar styraciflua|Makubunri Seisei Kaki Tannin H 1|MP-TR|NSC 656273|Pancil|Pancil FG 22|Pancil FG 30|Pancil FG 70|Quebracho wood extract|Quertanil|Resorcinex Pecan Tannin 9901L|Schinopsis lorentzii tannin|Sunlife TN|Tanal 02C|Tanal 1|Tanaphen P 500|Tanex A-FCC|Tanex RS 93|Tannic acid (Quercus spp.)|Tannic acid AL|Tannic Acid KT|Tannic Acid ME|Tannic Acid X|Tannic acids|Tannic acids, gallo-|Tannin|Tannin analysis|Tannin from chestnut|Tannin from mimosa|Tannin from quebracho|Ta|1041198-33-7|1041198-44-0|61790-06-5|67167-65-1|73891-88-0|93615-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026076 https://doi.org/10.22427/NTP-DATA-DTXSID2026076
ARPathway2016 ARPathway2016_351 Tannic acid 1401-55-4 DTXSID2026076 FLAG: Wrong direction (Hit/No hit) 0.0 Agonist AR Pathway Model, Antagonist Model Score 0.0471 Unitless Tannic acid 1401-55-4|Tannic acid|Acacia mollissima tannin|Acid, tannic|Acide tannique|AL (tannin)|Arbor Lock 20|Bondtite 241|Bondtite 345|Bondtite 645|Brewtan|Brewtan C|Castanea sativa Mill tannin|Caswell No. 819|Colatan GT 100|Crown ATO|d'Acide tannique|DT-R 240|EC 618-958-9|EC 923-505-6|EC 925-288-3|EINECS 215-753-2|EPA Pesticide Chemical Code 078502|Excellence Vintage|F-Tannin|FEMA No. 3042|Fintan OP|Floctan 1|Floctan 3|Fresh Shiraimatsu FS 500M|Gallotannic acids|Gallotannin|Gallotannins|Glycerite|Hifix 45|Hifix SL|Hifix SLA|Hifix SW-A|HLE 100|Kakitafu|Lexsod P|Liquidambar styraciflua|Makubunri Seisei Kaki Tannin H 1|MP-TR|NSC 656273|Pancil|Pancil FG 22|Pancil FG 30|Pancil FG 70|Quebracho wood extract|Quertanil|Resorcinex Pecan Tannin 9901L|Schinopsis lorentzii tannin|Sunlife TN|Tanal 02C|Tanal 1|Tanaphen P 500|Tanex A-FCC|Tanex RS 93|Tannic acid (Quercus spp.)|Tannic acid AL|Tannic Acid KT|Tannic Acid ME|Tannic Acid X|Tannic acids|Tannic acids, gallo-|Tannin|Tannin analysis|Tannin from chestnut|Tannin from mimosa|Tannin from quebracho|Ta|1041198-33-7|1041198-44-0|61790-06-5|67167-65-1|73891-88-0|93615-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026076 https://doi.org/10.22427/NTP-DATA-DTXSID2026076
ARPathway2016 ARPathway2016_351 Tannic acid 1401-55-4 DTXSID2026076 FLAG: Wrong direction (Hit/No hit) 0.0 Agonist AR Pathway Model, Agonist Model Score 0.146 Unitless Tannic acid 1401-55-4|Tannic acid|Acacia mollissima tannin|Acid, tannic|Acide tannique|AL (tannin)|Arbor Lock 20|Bondtite 241|Bondtite 345|Bondtite 645|Brewtan|Brewtan C|Castanea sativa Mill tannin|Caswell No. 819|Colatan GT 100|Crown ATO|d'Acide tannique|DT-R 240|EC 618-958-9|EC 923-505-6|EC 925-288-3|EINECS 215-753-2|EPA Pesticide Chemical Code 078502|Excellence Vintage|F-Tannin|FEMA No. 3042|Fintan OP|Floctan 1|Floctan 3|Fresh Shiraimatsu FS 500M|Gallotannic acids|Gallotannin|Gallotannins|Glycerite|Hifix 45|Hifix SL|Hifix SLA|Hifix SW-A|HLE 100|Kakitafu|Lexsod P|Liquidambar styraciflua|Makubunri Seisei Kaki Tannin H 1|MP-TR|NSC 656273|Pancil|Pancil FG 22|Pancil FG 30|Pancil FG 70|Quebracho wood extract|Quertanil|Resorcinex Pecan Tannin 9901L|Schinopsis lorentzii tannin|Sunlife TN|Tanal 02C|Tanal 1|Tanaphen P 500|Tanex A-FCC|Tanex RS 93|Tannic acid (Quercus spp.)|Tannic acid AL|Tannic Acid KT|Tannic Acid ME|Tannic Acid X|Tannic acids|Tannic acids, gallo-|Tannin|Tannin analysis|Tannin from chestnut|Tannin from mimosa|Tannin from quebracho|Ta|1041198-33-7|1041198-44-0|61790-06-5|67167-65-1|73891-88-0|93615-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026076 https://doi.org/10.22427/NTP-DATA-DTXSID2026076
ARPathway2016 ARPathway2016_351 Tannic acid 1401-55-4 DTXSID2026076 FLAG: Wrong direction (Hit/No hit) 0.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless Tannic acid 1401-55-4|Tannic acid|Acacia mollissima tannin|Acid, tannic|Acide tannique|AL (tannin)|Arbor Lock 20|Bondtite 241|Bondtite 345|Bondtite 645|Brewtan|Brewtan C|Castanea sativa Mill tannin|Caswell No. 819|Colatan GT 100|Crown ATO|d'Acide tannique|DT-R 240|EC 618-958-9|EC 923-505-6|EC 925-288-3|EINECS 215-753-2|EPA Pesticide Chemical Code 078502|Excellence Vintage|F-Tannin|FEMA No. 3042|Fintan OP|Floctan 1|Floctan 3|Fresh Shiraimatsu FS 500M|Gallotannic acids|Gallotannin|Gallotannins|Glycerite|Hifix 45|Hifix SL|Hifix SLA|Hifix SW-A|HLE 100|Kakitafu|Lexsod P|Liquidambar styraciflua|Makubunri Seisei Kaki Tannin H 1|MP-TR|NSC 656273|Pancil|Pancil FG 22|Pancil FG 30|Pancil FG 70|Quebracho wood extract|Quertanil|Resorcinex Pecan Tannin 9901L|Schinopsis lorentzii tannin|Sunlife TN|Tanal 02C|Tanal 1|Tanaphen P 500|Tanex A-FCC|Tanex RS 93|Tannic acid (Quercus spp.)|Tannic acid AL|Tannic Acid KT|Tannic Acid ME|Tannic Acid X|Tannic acids|Tannic acids, gallo-|Tannin|Tannin analysis|Tannin from chestnut|Tannin from mimosa|Tannin from quebracho|Ta|1041198-33-7|1041198-44-0|61790-06-5|67167-65-1|73891-88-0|93615-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026076 https://doi.org/10.22427/NTP-DATA-DTXSID2026076
ARPathway2016 ARPathway2016_351 Tannic acid 1401-55-4 DTXSID2026076 FLAG: Wrong direction (Hit/No hit) 0.0 Agonist AR Pathway Model, Antagonist Call Active Unitless Tannic acid 1401-55-4|Tannic acid|Acacia mollissima tannin|Acid, tannic|Acide tannique|AL (tannin)|Arbor Lock 20|Bondtite 241|Bondtite 345|Bondtite 645|Brewtan|Brewtan C|Castanea sativa Mill tannin|Caswell No. 819|Colatan GT 100|Crown ATO|d'Acide tannique|DT-R 240|EC 618-958-9|EC 923-505-6|EC 925-288-3|EINECS 215-753-2|EPA Pesticide Chemical Code 078502|Excellence Vintage|F-Tannin|FEMA No. 3042|Fintan OP|Floctan 1|Floctan 3|Fresh Shiraimatsu FS 500M|Gallotannic acids|Gallotannin|Gallotannins|Glycerite|Hifix 45|Hifix SL|Hifix SLA|Hifix SW-A|HLE 100|Kakitafu|Lexsod P|Liquidambar styraciflua|Makubunri Seisei Kaki Tannin H 1|MP-TR|NSC 656273|Pancil|Pancil FG 22|Pancil FG 30|Pancil FG 70|Quebracho wood extract|Quertanil|Resorcinex Pecan Tannin 9901L|Schinopsis lorentzii tannin|Sunlife TN|Tanal 02C|Tanal 1|Tanaphen P 500|Tanex A-FCC|Tanex RS 93|Tannic acid (Quercus spp.)|Tannic acid AL|Tannic Acid KT|Tannic Acid ME|Tannic Acid X|Tannic acids|Tannic acids, gallo-|Tannin|Tannin analysis|Tannin from chestnut|Tannin from mimosa|Tannin from quebracho|Ta|1041198-33-7|1041198-44-0|61790-06-5|67167-65-1|73891-88-0|93615-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026076 https://doi.org/10.22427/NTP-DATA-DTXSID2026076
ERPathway2016 ERPathway2016_1000 Tannic acid 1401-55-4 DTXSID2026076 ER Pathway Model, Agonist Model Score 0 Unitless Tannic acid 1401-55-4|Tannic acid|Acacia mollissima tannin|Acid, tannic|Acide tannique|AL (tannin)|Arbor Lock 20|Bondtite 241|Bondtite 345|Bondtite 645|Brewtan|Brewtan C|Castanea sativa Mill tannin|Caswell No. 819|Colatan GT 100|Crown ATO|d'Acide tannique|DT-R 240|EC 618-958-9|EC 923-505-6|EC 925-288-3|EINECS 215-753-2|EPA Pesticide Chemical Code 078502|Excellence Vintage|F-Tannin|FEMA No. 3042|Fintan OP|Floctan 1|Floctan 3|Fresh Shiraimatsu FS 500M|Gallotannic acids|Gallotannin|Gallotannins|Glycerite|Hifix 45|Hifix SL|Hifix SLA|Hifix SW-A|HLE 100|Kakitafu|Lexsod P|Liquidambar styraciflua|Makubunri Seisei Kaki Tannin H 1|MP-TR|NSC 656273|Pancil|Pancil FG 22|Pancil FG 30|Pancil FG 70|Quebracho wood extract|Quertanil|Resorcinex Pecan Tannin 9901L|Schinopsis lorentzii tannin|Sunlife TN|Tanal 02C|Tanal 1|Tanaphen P 500|Tanex A-FCC|Tanex RS 93|Tannic acid (Quercus spp.)|Tannic acid AL|Tannic Acid KT|Tannic Acid ME|Tannic Acid X|Tannic acids|Tannic acids, gallo-|Tannin|Tannin analysis|Tannin from chestnut|Tannin from mimosa|Tannin from quebracho|Ta|1041198-33-7|1041198-44-0|61790-06-5|67167-65-1|73891-88-0|93615-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026076 https://doi.org/10.22427/NTP-DATA-DTXSID2026076
ERPathway2016 ERPathway2016_1000 Tannic acid 1401-55-4 DTXSID2026076 ER Pathway Model, Antagonist Model Score 0 Unitless Tannic acid 1401-55-4|Tannic acid|Acacia mollissima tannin|Acid, tannic|Acide tannique|AL (tannin)|Arbor Lock 20|Bondtite 241|Bondtite 345|Bondtite 645|Brewtan|Brewtan C|Castanea sativa Mill tannin|Caswell No. 819|Colatan GT 100|Crown ATO|d'Acide tannique|DT-R 240|EC 618-958-9|EC 923-505-6|EC 925-288-3|EINECS 215-753-2|EPA Pesticide Chemical Code 078502|Excellence Vintage|F-Tannin|FEMA No. 3042|Fintan OP|Floctan 1|Floctan 3|Fresh Shiraimatsu FS 500M|Gallotannic acids|Gallotannin|Gallotannins|Glycerite|Hifix 45|Hifix SL|Hifix SLA|Hifix SW-A|HLE 100|Kakitafu|Lexsod P|Liquidambar styraciflua|Makubunri Seisei Kaki Tannin H 1|MP-TR|NSC 656273|Pancil|Pancil FG 22|Pancil FG 30|Pancil FG 70|Quebracho wood extract|Quertanil|Resorcinex Pecan Tannin 9901L|Schinopsis lorentzii tannin|Sunlife TN|Tanal 02C|Tanal 1|Tanaphen P 500|Tanex A-FCC|Tanex RS 93|Tannic acid (Quercus spp.)|Tannic acid AL|Tannic Acid KT|Tannic Acid ME|Tannic Acid X|Tannic acids|Tannic acids, gallo-|Tannin|Tannin analysis|Tannin from chestnut|Tannin from mimosa|Tannin from quebracho|Ta|1041198-33-7|1041198-44-0|61790-06-5|67167-65-1|73891-88-0|93615-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026076 https://doi.org/10.22427/NTP-DATA-DTXSID2026076
ERPathway2016 ERPathway2016_1000 Tannic acid 1401-55-4 DTXSID2026076 ER Pathway Model, Agonist Call Inactive Unitless Tannic acid 1401-55-4|Tannic acid|Acacia mollissima tannin|Acid, tannic|Acide tannique|AL (tannin)|Arbor Lock 20|Bondtite 241|Bondtite 345|Bondtite 645|Brewtan|Brewtan C|Castanea sativa Mill tannin|Caswell No. 819|Colatan GT 100|Crown ATO|d'Acide tannique|DT-R 240|EC 618-958-9|EC 923-505-6|EC 925-288-3|EINECS 215-753-2|EPA Pesticide Chemical Code 078502|Excellence Vintage|F-Tannin|FEMA No. 3042|Fintan OP|Floctan 1|Floctan 3|Fresh Shiraimatsu FS 500M|Gallotannic acids|Gallotannin|Gallotannins|Glycerite|Hifix 45|Hifix SL|Hifix SLA|Hifix SW-A|HLE 100|Kakitafu|Lexsod P|Liquidambar styraciflua|Makubunri Seisei Kaki Tannin H 1|MP-TR|NSC 656273|Pancil|Pancil FG 22|Pancil FG 30|Pancil FG 70|Quebracho wood extract|Quertanil|Resorcinex Pecan Tannin 9901L|Schinopsis lorentzii tannin|Sunlife TN|Tanal 02C|Tanal 1|Tanaphen P 500|Tanex A-FCC|Tanex RS 93|Tannic acid (Quercus spp.)|Tannic acid AL|Tannic Acid KT|Tannic Acid ME|Tannic Acid X|Tannic acids|Tannic acids, gallo-|Tannin|Tannin analysis|Tannin from chestnut|Tannin from mimosa|Tannin from quebracho|Ta|1041198-33-7|1041198-44-0|61790-06-5|67167-65-1|73891-88-0|93615-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026076 https://doi.org/10.22427/NTP-DATA-DTXSID2026076
ERPathway2016 ERPathway2016_1000 Tannic acid 1401-55-4 DTXSID2026076 ER Pathway Model, Antagonist Call Inactive Unitless Tannic acid 1401-55-4|Tannic acid|Acacia mollissima tannin|Acid, tannic|Acide tannique|AL (tannin)|Arbor Lock 20|Bondtite 241|Bondtite 345|Bondtite 645|Brewtan|Brewtan C|Castanea sativa Mill tannin|Caswell No. 819|Colatan GT 100|Crown ATO|d'Acide tannique|DT-R 240|EC 618-958-9|EC 923-505-6|EC 925-288-3|EINECS 215-753-2|EPA Pesticide Chemical Code 078502|Excellence Vintage|F-Tannin|FEMA No. 3042|Fintan OP|Floctan 1|Floctan 3|Fresh Shiraimatsu FS 500M|Gallotannic acids|Gallotannin|Gallotannins|Glycerite|Hifix 45|Hifix SL|Hifix SLA|Hifix SW-A|HLE 100|Kakitafu|Lexsod P|Liquidambar styraciflua|Makubunri Seisei Kaki Tannin H 1|MP-TR|NSC 656273|Pancil|Pancil FG 22|Pancil FG 30|Pancil FG 70|Quebracho wood extract|Quertanil|Resorcinex Pecan Tannin 9901L|Schinopsis lorentzii tannin|Sunlife TN|Tanal 02C|Tanal 1|Tanaphen P 500|Tanex A-FCC|Tanex RS 93|Tannic acid (Quercus spp.)|Tannic acid AL|Tannic Acid KT|Tannic Acid ME|Tannic Acid X|Tannic acids|Tannic acids, gallo-|Tannin|Tannin analysis|Tannin from chestnut|Tannin from mimosa|Tannin from quebracho|Ta|1041198-33-7|1041198-44-0|61790-06-5|67167-65-1|73891-88-0|93615-37-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026076 https://doi.org/10.22427/NTP-DATA-DTXSID2026076
ARPathway2016 ARPathway2016_15 Tebuconazole 107534-96-3 DTXSID9032113 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 28.3357118461007 uM CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1 Tebuconazole 107534-96-3|Tebuconazole|(+/-)-Tebuconazole|(RS)- 1-(4-Chlorophenyl)- 4,4-dimethyl-3-(1H, 1,2,4-triazol-1-ylmethyl)pentan- 3-ol|(RS)-1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|(RS)-1-p-Chlorophenyl-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazole-1-yl-methyl)pentane-3-ol|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|1H-1,2,4-Triazole-1-ethanol,a-[2-(4-chlorophenyl) ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|Atlas|BAY-HWG 1608|Corail|Dedalus 25 WDG|Elite|Elite (fungicide)|ETHANOL, a-[2-(4-CHLOROPHENYL)ETHYL]-a- (1,1-DIMETHYLETHYL)-1H-1,2,4-TRIAZOLE|Ethyltrianol|Etiltrianol|Fenetrazole|Folicur|Folicur 200CE|Folicur 200EC|Folicur 3.6F|Gelseal|Gelseal (fungicide)|Greenseal|Hao Li-ke|Helicur 250EW|Horizon|Horizon (fungicide)|Horizont|HWG 1608|Microban S 2142|123066-82-0|1256343-09-5|80443-41-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032113
ARPathway2016 ARPathway2016_15 Tebuconazole 107534-96-3 DTXSID9032113 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 30.403772398547 uM CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1 Tebuconazole 107534-96-3|Tebuconazole|(+/-)-Tebuconazole|(RS)- 1-(4-Chlorophenyl)- 4,4-dimethyl-3-(1H, 1,2,4-triazol-1-ylmethyl)pentan- 3-ol|(RS)-1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|(RS)-1-p-Chlorophenyl-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazole-1-yl-methyl)pentane-3-ol|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|1H-1,2,4-Triazole-1-ethanol,a-[2-(4-chlorophenyl) ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|Atlas|BAY-HWG 1608|Corail|Dedalus 25 WDG|Elite|Elite (fungicide)|ETHANOL, a-[2-(4-CHLOROPHENYL)ETHYL]-a- (1,1-DIMETHYLETHYL)-1H-1,2,4-TRIAZOLE|Ethyltrianol|Etiltrianol|Fenetrazole|Folicur|Folicur 200CE|Folicur 200EC|Folicur 3.6F|Gelseal|Gelseal (fungicide)|Greenseal|Hao Li-ke|Helicur 250EW|Horizon|Horizon (fungicide)|Horizont|HWG 1608|Microban S 2142|123066-82-0|1256343-09-5|80443-41-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032113
ARPathway2016 ARPathway2016_15 Tebuconazole 107534-96-3 DTXSID9032113 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.303 Unitless CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1 Tebuconazole 107534-96-3|Tebuconazole|(+/-)-Tebuconazole|(RS)- 1-(4-Chlorophenyl)- 4,4-dimethyl-3-(1H, 1,2,4-triazol-1-ylmethyl)pentan- 3-ol|(RS)-1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|(RS)-1-p-Chlorophenyl-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazole-1-yl-methyl)pentane-3-ol|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|1H-1,2,4-Triazole-1-ethanol,a-[2-(4-chlorophenyl) ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|Atlas|BAY-HWG 1608|Corail|Dedalus 25 WDG|Elite|Elite (fungicide)|ETHANOL, a-[2-(4-CHLOROPHENYL)ETHYL]-a- (1,1-DIMETHYLETHYL)-1H-1,2,4-TRIAZOLE|Ethyltrianol|Etiltrianol|Fenetrazole|Folicur|Folicur 200CE|Folicur 200EC|Folicur 3.6F|Gelseal|Gelseal (fungicide)|Greenseal|Hao Li-ke|Helicur 250EW|Horizon|Horizon (fungicide)|Horizont|HWG 1608|Microban S 2142|123066-82-0|1256343-09-5|80443-41-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032113
ARPathway2016 ARPathway2016_15 Tebuconazole 107534-96-3 DTXSID9032113 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1 Tebuconazole 107534-96-3|Tebuconazole|(+/-)-Tebuconazole|(RS)- 1-(4-Chlorophenyl)- 4,4-dimethyl-3-(1H, 1,2,4-triazol-1-ylmethyl)pentan- 3-ol|(RS)-1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|(RS)-1-p-Chlorophenyl-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazole-1-yl-methyl)pentane-3-ol|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|1H-1,2,4-Triazole-1-ethanol,a-[2-(4-chlorophenyl) ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|Atlas|BAY-HWG 1608|Corail|Dedalus 25 WDG|Elite|Elite (fungicide)|ETHANOL, a-[2-(4-CHLOROPHENYL)ETHYL]-a- (1,1-DIMETHYLETHYL)-1H-1,2,4-TRIAZOLE|Ethyltrianol|Etiltrianol|Fenetrazole|Folicur|Folicur 200CE|Folicur 200EC|Folicur 3.6F|Gelseal|Gelseal (fungicide)|Greenseal|Hao Li-ke|Helicur 250EW|Horizon|Horizon (fungicide)|Horizont|HWG 1608|Microban S 2142|123066-82-0|1256343-09-5|80443-41-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032113
ARPathway2016 ARPathway2016_15 Tebuconazole 107534-96-3 DTXSID9032113 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1 Tebuconazole 107534-96-3|Tebuconazole|(+/-)-Tebuconazole|(RS)- 1-(4-Chlorophenyl)- 4,4-dimethyl-3-(1H, 1,2,4-triazol-1-ylmethyl)pentan- 3-ol|(RS)-1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|(RS)-1-p-Chlorophenyl-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazole-1-yl-methyl)pentane-3-ol|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|1H-1,2,4-Triazole-1-ethanol,a-[2-(4-chlorophenyl) ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|Atlas|BAY-HWG 1608|Corail|Dedalus 25 WDG|Elite|Elite (fungicide)|ETHANOL, a-[2-(4-CHLOROPHENYL)ETHYL]-a- (1,1-DIMETHYLETHYL)-1H-1,2,4-TRIAZOLE|Ethyltrianol|Etiltrianol|Fenetrazole|Folicur|Folicur 200CE|Folicur 200EC|Folicur 3.6F|Gelseal|Gelseal (fungicide)|Greenseal|Hao Li-ke|Helicur 250EW|Horizon|Horizon (fungicide)|Horizont|HWG 1608|Microban S 2142|123066-82-0|1256343-09-5|80443-41-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032113
ARPathway2016 ARPathway2016_15 Tebuconazole 107534-96-3 DTXSID9032113 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1 Tebuconazole 107534-96-3|Tebuconazole|(+/-)-Tebuconazole|(RS)- 1-(4-Chlorophenyl)- 4,4-dimethyl-3-(1H, 1,2,4-triazol-1-ylmethyl)pentan- 3-ol|(RS)-1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|(RS)-1-p-Chlorophenyl-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazole-1-yl-methyl)pentane-3-ol|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|1H-1,2,4-Triazole-1-ethanol,a-[2-(4-chlorophenyl) ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|Atlas|BAY-HWG 1608|Corail|Dedalus 25 WDG|Elite|Elite (fungicide)|ETHANOL, a-[2-(4-CHLOROPHENYL)ETHYL]-a- (1,1-DIMETHYLETHYL)-1H-1,2,4-TRIAZOLE|Ethyltrianol|Etiltrianol|Fenetrazole|Folicur|Folicur 200CE|Folicur 200EC|Folicur 3.6F|Gelseal|Gelseal (fungicide)|Greenseal|Hao Li-ke|Helicur 250EW|Horizon|Horizon (fungicide)|Horizont|HWG 1608|Microban S 2142|123066-82-0|1256343-09-5|80443-41-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032113
ERPathway2016 ERPathway2016_825 Tebuconazole 107534-96-3 DTXSID9032113 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1 Tebuconazole 107534-96-3|Tebuconazole|(+/-)-Tebuconazole|(RS)- 1-(4-Chlorophenyl)- 4,4-dimethyl-3-(1H, 1,2,4-triazol-1-ylmethyl)pentan- 3-ol|(RS)-1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|(RS)-1-p-Chlorophenyl-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazole-1-yl-methyl)pentane-3-ol|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|1H-1,2,4-Triazole-1-ethanol,a-[2-(4-chlorophenyl) ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|Atlas|BAY-HWG 1608|Corail|Dedalus 25 WDG|Elite|Elite (fungicide)|ETHANOL, a-[2-(4-CHLOROPHENYL)ETHYL]-a- (1,1-DIMETHYLETHYL)-1H-1,2,4-TRIAZOLE|Ethyltrianol|Etiltrianol|Fenetrazole|Folicur|Folicur 200CE|Folicur 200EC|Folicur 3.6F|Gelseal|Gelseal (fungicide)|Greenseal|Hao Li-ke|Helicur 250EW|Horizon|Horizon (fungicide)|Horizont|HWG 1608|Microban S 2142|123066-82-0|1256343-09-5|80443-41-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032113
ERPathway2016 ERPathway2016_825 Tebuconazole 107534-96-3 DTXSID9032113 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1 Tebuconazole 107534-96-3|Tebuconazole|(+/-)-Tebuconazole|(RS)- 1-(4-Chlorophenyl)- 4,4-dimethyl-3-(1H, 1,2,4-triazol-1-ylmethyl)pentan- 3-ol|(RS)-1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|(RS)-1-p-Chlorophenyl-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazole-1-yl-methyl)pentane-3-ol|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|1H-1,2,4-Triazole-1-ethanol,a-[2-(4-chlorophenyl) ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|Atlas|BAY-HWG 1608|Corail|Dedalus 25 WDG|Elite|Elite (fungicide)|ETHANOL, a-[2-(4-CHLOROPHENYL)ETHYL]-a- (1,1-DIMETHYLETHYL)-1H-1,2,4-TRIAZOLE|Ethyltrianol|Etiltrianol|Fenetrazole|Folicur|Folicur 200CE|Folicur 200EC|Folicur 3.6F|Gelseal|Gelseal (fungicide)|Greenseal|Hao Li-ke|Helicur 250EW|Horizon|Horizon (fungicide)|Horizont|HWG 1608|Microban S 2142|123066-82-0|1256343-09-5|80443-41-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032113
ERPathway2016 ERPathway2016_825 Tebuconazole 107534-96-3 DTXSID9032113 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1 Tebuconazole 107534-96-3|Tebuconazole|(+/-)-Tebuconazole|(RS)- 1-(4-Chlorophenyl)- 4,4-dimethyl-3-(1H, 1,2,4-triazol-1-ylmethyl)pentan- 3-ol|(RS)-1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|(RS)-1-p-Chlorophenyl-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazole-1-yl-methyl)pentane-3-ol|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|1H-1,2,4-Triazole-1-ethanol,a-[2-(4-chlorophenyl) ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|Atlas|BAY-HWG 1608|Corail|Dedalus 25 WDG|Elite|Elite (fungicide)|ETHANOL, a-[2-(4-CHLOROPHENYL)ETHYL]-a- (1,1-DIMETHYLETHYL)-1H-1,2,4-TRIAZOLE|Ethyltrianol|Etiltrianol|Fenetrazole|Folicur|Folicur 200CE|Folicur 200EC|Folicur 3.6F|Gelseal|Gelseal (fungicide)|Greenseal|Hao Li-ke|Helicur 250EW|Horizon|Horizon (fungicide)|Horizont|HWG 1608|Microban S 2142|123066-82-0|1256343-09-5|80443-41-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032113
ERPathway2016 ERPathway2016_825 Tebuconazole 107534-96-3 DTXSID9032113 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1 Tebuconazole 107534-96-3|Tebuconazole|(+/-)-Tebuconazole|(RS)- 1-(4-Chlorophenyl)- 4,4-dimethyl-3-(1H, 1,2,4-triazol-1-ylmethyl)pentan- 3-ol|(RS)-1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|(RS)-1-p-Chlorophenyl-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol|1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazole-1-yl-methyl)pentane-3-ol|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-|1H-1,2,4-Triazole-1-ethanol, a-[2-(4-chlorophenyl)ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|1H-1,2,4-Triazole-1-ethanol,a-[2-(4-chlorophenyl) ethyl]-a-(1,1-dimethylethyl)-, (+/-)-|Atlas|BAY-HWG 1608|Corail|Dedalus 25 WDG|Elite|Elite (fungicide)|ETHANOL, a-[2-(4-CHLOROPHENYL)ETHYL]-a- (1,1-DIMETHYLETHYL)-1H-1,2,4-TRIAZOLE|Ethyltrianol|Etiltrianol|Fenetrazole|Folicur|Folicur 200CE|Folicur 200EC|Folicur 3.6F|Gelseal|Gelseal (fungicide)|Greenseal|Hao Li-ke|Helicur 250EW|Horizon|Horizon (fungicide)|Horizont|HWG 1608|Microban S 2142|123066-82-0|1256343-09-5|80443-41-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032113
ARPathway2016 ARPathway2016_607 Tebufenozide 112410-23-8 DTXSID4034948 FLAG: Wrong direction (Hit/No hit) -1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless CCC1=CC=C(C=C1)C(=O)NN(C(=O)C1=CC(C)=CC(C)=C1)C(C)(C)C Tebufenozide 112410-23-8|Tebufenozide|3,5-dimethylbenzoic acid 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide|Benzoic acid, 3,5-dimethyl-, 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide|N'-(t-butyl)-N'-(3,5-dimethylbenzoyl)-N-(4-ethylbenzoyl)hydrazine|UNII-TNN5MI5EKF|142583-69-5|468062-57-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034948
ARPathway2016 ARPathway2016_607 Tebufenozide 112410-23-8 DTXSID4034948 FLAG: Wrong direction (Hit/No hit) -1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CCC1=CC=C(C=C1)C(=O)NN(C(=O)C1=CC(C)=CC(C)=C1)C(C)(C)C Tebufenozide 112410-23-8|Tebufenozide|3,5-dimethylbenzoic acid 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide|Benzoic acid, 3,5-dimethyl-, 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide|N'-(t-butyl)-N'-(3,5-dimethylbenzoyl)-N-(4-ethylbenzoyl)hydrazine|UNII-TNN5MI5EKF|142583-69-5|468062-57-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034948
ARPathway2016 ARPathway2016_607 Tebufenozide 112410-23-8 DTXSID4034948 FLAG: Wrong direction (Hit/No hit) -1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless CCC1=CC=C(C=C1)C(=O)NN(C(=O)C1=CC(C)=CC(C)=C1)C(C)(C)C Tebufenozide 112410-23-8|Tebufenozide|3,5-dimethylbenzoic acid 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide|Benzoic acid, 3,5-dimethyl-, 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide|N'-(t-butyl)-N'-(3,5-dimethylbenzoyl)-N-(4-ethylbenzoyl)hydrazine|UNII-TNN5MI5EKF|142583-69-5|468062-57-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034948
ARPathway2016 ARPathway2016_607 Tebufenozide 112410-23-8 DTXSID4034948 FLAG: Wrong direction (Hit/No hit) -1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CCC1=CC=C(C=C1)C(=O)NN(C(=O)C1=CC(C)=CC(C)=C1)C(C)(C)C Tebufenozide 112410-23-8|Tebufenozide|3,5-dimethylbenzoic acid 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide|Benzoic acid, 3,5-dimethyl-, 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide|N'-(t-butyl)-N'-(3,5-dimethylbenzoyl)-N-(4-ethylbenzoyl)hydrazine|UNII-TNN5MI5EKF|142583-69-5|468062-57-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034948
ERPathway2016 ERPathway2016_692 Tebufenozide 112410-23-8 DTXSID4034948 ER Pathway Model, Agonist Model Score 0 Unitless CCC1=CC=C(C=C1)C(=O)NN(C(=O)C1=CC(C)=CC(C)=C1)C(C)(C)C Tebufenozide 112410-23-8|Tebufenozide|3,5-dimethylbenzoic acid 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide|Benzoic acid, 3,5-dimethyl-, 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide|N'-(t-butyl)-N'-(3,5-dimethylbenzoyl)-N-(4-ethylbenzoyl)hydrazine|UNII-TNN5MI5EKF|142583-69-5|468062-57-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034948
ERPathway2016 ERPathway2016_692 Tebufenozide 112410-23-8 DTXSID4034948 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=CC=C(C=C1)C(=O)NN(C(=O)C1=CC(C)=CC(C)=C1)C(C)(C)C Tebufenozide 112410-23-8|Tebufenozide|3,5-dimethylbenzoic acid 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide|Benzoic acid, 3,5-dimethyl-, 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide|N'-(t-butyl)-N'-(3,5-dimethylbenzoyl)-N-(4-ethylbenzoyl)hydrazine|UNII-TNN5MI5EKF|142583-69-5|468062-57-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034948
ERPathway2016 ERPathway2016_692 Tebufenozide 112410-23-8 DTXSID4034948 ER Pathway Model, Agonist Call Inactive Unitless CCC1=CC=C(C=C1)C(=O)NN(C(=O)C1=CC(C)=CC(C)=C1)C(C)(C)C Tebufenozide 112410-23-8|Tebufenozide|3,5-dimethylbenzoic acid 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide|Benzoic acid, 3,5-dimethyl-, 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide|N'-(t-butyl)-N'-(3,5-dimethylbenzoyl)-N-(4-ethylbenzoyl)hydrazine|UNII-TNN5MI5EKF|142583-69-5|468062-57-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034948
ERPathway2016 ERPathway2016_692 Tebufenozide 112410-23-8 DTXSID4034948 ER Pathway Model, Antagonist Call Inactive Unitless CCC1=CC=C(C=C1)C(=O)NN(C(=O)C1=CC(C)=CC(C)=C1)C(C)(C)C Tebufenozide 112410-23-8|Tebufenozide|3,5-dimethylbenzoic acid 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide|Benzoic acid, 3,5-dimethyl-, 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide|N'-(t-butyl)-N'-(3,5-dimethylbenzoyl)-N-(4-ethylbenzoyl)hydrazine|UNII-TNN5MI5EKF|142583-69-5|468062-57-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4034948
ARPathway2016 ARPathway2016_30 Tebufenpyrad 119168-77-3 DTXSID0034223 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist AC50 1.28614769400061 uM CCC1=NN(C)C(C(=O)NCC2=CC=C(C=C2)C(C)(C)C)=C1Cl Tebufenpyrad 119168-77-3|Tebufenpyrad|1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-|4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide|N-(4-t-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|N-(4-tert-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|Pyranica|UNII-IRU3P7ZB3F https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034223 https://doi.org/10.22427/NTP-DATA-DTXSID0034223
ARPathway2016 ARPathway2016_30 Tebufenpyrad 119168-77-3 DTXSID0034223 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist ACC 2.112885937 uM CCC1=NN(C)C(C(=O)NCC2=CC=C(C=C2)C(C)(C)C)=C1Cl Tebufenpyrad 119168-77-3|Tebufenpyrad|1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-|4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide|N-(4-t-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|N-(4-tert-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|Pyranica|UNII-IRU3P7ZB3F https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034223 https://doi.org/10.22427/NTP-DATA-DTXSID0034223
ARPathway2016 ARPathway2016_30 Tebufenpyrad 119168-77-3 DTXSID0034223 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0765 Unitless CCC1=NN(C)C(C(=O)NCC2=CC=C(C=C2)C(C)(C)C)=C1Cl Tebufenpyrad 119168-77-3|Tebufenpyrad|1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-|4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide|N-(4-t-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|N-(4-tert-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|Pyranica|UNII-IRU3P7ZB3F https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034223 https://doi.org/10.22427/NTP-DATA-DTXSID0034223
ARPathway2016 ARPathway2016_30 Tebufenpyrad 119168-77-3 DTXSID0034223 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCC1=NN(C)C(C(=O)NCC2=CC=C(C=C2)C(C)(C)C)=C1Cl Tebufenpyrad 119168-77-3|Tebufenpyrad|1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-|4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide|N-(4-t-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|N-(4-tert-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|Pyranica|UNII-IRU3P7ZB3F https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034223 https://doi.org/10.22427/NTP-DATA-DTXSID0034223
ARPathway2016 ARPathway2016_30 Tebufenpyrad 119168-77-3 DTXSID0034223 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCC1=NN(C)C(C(=O)NCC2=CC=C(C=C2)C(C)(C)C)=C1Cl Tebufenpyrad 119168-77-3|Tebufenpyrad|1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-|4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide|N-(4-t-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|N-(4-tert-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|Pyranica|UNII-IRU3P7ZB3F https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034223 https://doi.org/10.22427/NTP-DATA-DTXSID0034223
ARPathway2016 ARPathway2016_30 Tebufenpyrad 119168-77-3 DTXSID0034223 FLAG: Wrong direction shift (Hit/Hit) 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCC1=NN(C)C(C(=O)NCC2=CC=C(C=C2)C(C)(C)C)=C1Cl Tebufenpyrad 119168-77-3|Tebufenpyrad|1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-|4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide|N-(4-t-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|N-(4-tert-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|Pyranica|UNII-IRU3P7ZB3F https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034223 https://doi.org/10.22427/NTP-DATA-DTXSID0034223
ERPathway2016 ERPathway2016_563 Tebufenpyrad 119168-77-3 DTXSID0034223 A18 ER Pathway Model, Agonist Model Score 0 Unitless CCC1=NN(C)C(C(=O)NCC2=CC=C(C=C2)C(C)(C)C)=C1Cl Tebufenpyrad 119168-77-3|Tebufenpyrad|1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-|4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide|N-(4-t-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|N-(4-tert-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|Pyranica|UNII-IRU3P7ZB3F https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034223 https://doi.org/10.22427/NTP-DATA-DTXSID0034223
ERPathway2016 ERPathway2016_563 Tebufenpyrad 119168-77-3 DTXSID0034223 A18 ER Pathway Model, Antagonist Model Score 0 Unitless CCC1=NN(C)C(C(=O)NCC2=CC=C(C=C2)C(C)(C)C)=C1Cl Tebufenpyrad 119168-77-3|Tebufenpyrad|1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-|4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide|N-(4-t-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|N-(4-tert-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|Pyranica|UNII-IRU3P7ZB3F https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034223 https://doi.org/10.22427/NTP-DATA-DTXSID0034223
ERPathway2016 ERPathway2016_563 Tebufenpyrad 119168-77-3 DTXSID0034223 A18 ER Pathway Model, Agonist Call Inactive Unitless CCC1=NN(C)C(C(=O)NCC2=CC=C(C=C2)C(C)(C)C)=C1Cl Tebufenpyrad 119168-77-3|Tebufenpyrad|1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-|4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide|N-(4-t-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|N-(4-tert-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|Pyranica|UNII-IRU3P7ZB3F https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034223 https://doi.org/10.22427/NTP-DATA-DTXSID0034223
ERPathway2016 ERPathway2016_563 Tebufenpyrad 119168-77-3 DTXSID0034223 A18 ER Pathway Model, Antagonist Call Inactive Unitless CCC1=NN(C)C(C(=O)NCC2=CC=C(C=C2)C(C)(C)C)=C1Cl Tebufenpyrad 119168-77-3|Tebufenpyrad|1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-|4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide|N-(4-t-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|N-(4-tert-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|Pyranica|UNII-IRU3P7ZB3F https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034223 https://doi.org/10.22427/NTP-DATA-DTXSID0034223
ARPathway2016 ARPathway2016_1776 Tebupirimfos 96182-53-5 DTXSID1032482 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OC(C)C)OC1=CN=C(N=C1)C(C)(C)C Tebupirimfos 96182-53-5|Tebupirimfos|BAY-MAT 7484|HSDB 7136|MAT 7484|O-(2-(1,1-Dimethylethyl)-5-pyrimidinyl) O-ethyl O-(1-methylethyl) phosphorothioate|O-(2-tert-Butylpyrimidin-5-yl) o-ethyl o-isopropyl phosphorothioate|O-(2-tert-butylpyrimidin-5-yl) O-ethyl O-isopropyl thiophosphate|Phosphorothioic acid, O-(2-(1,1-dimethylethyl)-5-pyrimidinyl) O-ethyl O-(1-methylethyl) ester|Phosphorothioic acid, o-(2-(1,1-dimethylethyl)-5-pyrimidinyl) o-ethyl-o-(1-methylethyl) ester|Phosphorothioic acid, O-[2-(1,1-dimethylethyl)-5-pyrimidinyl] O-ethyl O-(1-methylethyl) ester|Phostebupirim|Tebupirimphos|UNII-P036T39NSI https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032482
ARPathway2016 ARPathway2016_1776 Tebupirimfos 96182-53-5 DTXSID1032482 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=S)(OC(C)C)OC1=CN=C(N=C1)C(C)(C)C Tebupirimfos 96182-53-5|Tebupirimfos|BAY-MAT 7484|HSDB 7136|MAT 7484|O-(2-(1,1-Dimethylethyl)-5-pyrimidinyl) O-ethyl O-(1-methylethyl) phosphorothioate|O-(2-tert-Butylpyrimidin-5-yl) o-ethyl o-isopropyl phosphorothioate|O-(2-tert-butylpyrimidin-5-yl) O-ethyl O-isopropyl thiophosphate|Phosphorothioic acid, O-(2-(1,1-dimethylethyl)-5-pyrimidinyl) O-ethyl O-(1-methylethyl) ester|Phosphorothioic acid, o-(2-(1,1-dimethylethyl)-5-pyrimidinyl) o-ethyl-o-(1-methylethyl) ester|Phosphorothioic acid, O-[2-(1,1-dimethylethyl)-5-pyrimidinyl] O-ethyl O-(1-methylethyl) ester|Phostebupirim|Tebupirimphos|UNII-P036T39NSI https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032482
ARPathway2016 ARPathway2016_1776 Tebupirimfos 96182-53-5 DTXSID1032482 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OC(C)C)OC1=CN=C(N=C1)C(C)(C)C Tebupirimfos 96182-53-5|Tebupirimfos|BAY-MAT 7484|HSDB 7136|MAT 7484|O-(2-(1,1-Dimethylethyl)-5-pyrimidinyl) O-ethyl O-(1-methylethyl) phosphorothioate|O-(2-tert-Butylpyrimidin-5-yl) o-ethyl o-isopropyl phosphorothioate|O-(2-tert-butylpyrimidin-5-yl) O-ethyl O-isopropyl thiophosphate|Phosphorothioic acid, O-(2-(1,1-dimethylethyl)-5-pyrimidinyl) O-ethyl O-(1-methylethyl) ester|Phosphorothioic acid, o-(2-(1,1-dimethylethyl)-5-pyrimidinyl) o-ethyl-o-(1-methylethyl) ester|Phosphorothioic acid, O-[2-(1,1-dimethylethyl)-5-pyrimidinyl] O-ethyl O-(1-methylethyl) ester|Phostebupirim|Tebupirimphos|UNII-P036T39NSI https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032482
ARPathway2016 ARPathway2016_1776 Tebupirimfos 96182-53-5 DTXSID1032482 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OC(C)C)OC1=CN=C(N=C1)C(C)(C)C Tebupirimfos 96182-53-5|Tebupirimfos|BAY-MAT 7484|HSDB 7136|MAT 7484|O-(2-(1,1-Dimethylethyl)-5-pyrimidinyl) O-ethyl O-(1-methylethyl) phosphorothioate|O-(2-tert-Butylpyrimidin-5-yl) o-ethyl o-isopropyl phosphorothioate|O-(2-tert-butylpyrimidin-5-yl) O-ethyl O-isopropyl thiophosphate|Phosphorothioic acid, O-(2-(1,1-dimethylethyl)-5-pyrimidinyl) O-ethyl O-(1-methylethyl) ester|Phosphorothioic acid, o-(2-(1,1-dimethylethyl)-5-pyrimidinyl) o-ethyl-o-(1-methylethyl) ester|Phosphorothioic acid, O-[2-(1,1-dimethylethyl)-5-pyrimidinyl] O-ethyl O-(1-methylethyl) ester|Phostebupirim|Tebupirimphos|UNII-P036T39NSI https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032482
ERPathway2016 ERPathway2016_900 Tebupirimfos 96182-53-5 DTXSID1032482 ER Pathway Model, Agonist Model Score 0 Unitless CCOP(=S)(OC(C)C)OC1=CN=C(N=C1)C(C)(C)C Tebupirimfos 96182-53-5|Tebupirimfos|BAY-MAT 7484|HSDB 7136|MAT 7484|O-(2-(1,1-Dimethylethyl)-5-pyrimidinyl) O-ethyl O-(1-methylethyl) phosphorothioate|O-(2-tert-Butylpyrimidin-5-yl) o-ethyl o-isopropyl phosphorothioate|O-(2-tert-butylpyrimidin-5-yl) O-ethyl O-isopropyl thiophosphate|Phosphorothioic acid, O-(2-(1,1-dimethylethyl)-5-pyrimidinyl) O-ethyl O-(1-methylethyl) ester|Phosphorothioic acid, o-(2-(1,1-dimethylethyl)-5-pyrimidinyl) o-ethyl-o-(1-methylethyl) ester|Phosphorothioic acid, O-[2-(1,1-dimethylethyl)-5-pyrimidinyl] O-ethyl O-(1-methylethyl) ester|Phostebupirim|Tebupirimphos|UNII-P036T39NSI https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032482
ERPathway2016 ERPathway2016_900 Tebupirimfos 96182-53-5 DTXSID1032482 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OC(C)C)OC1=CN=C(N=C1)C(C)(C)C Tebupirimfos 96182-53-5|Tebupirimfos|BAY-MAT 7484|HSDB 7136|MAT 7484|O-(2-(1,1-Dimethylethyl)-5-pyrimidinyl) O-ethyl O-(1-methylethyl) phosphorothioate|O-(2-tert-Butylpyrimidin-5-yl) o-ethyl o-isopropyl phosphorothioate|O-(2-tert-butylpyrimidin-5-yl) O-ethyl O-isopropyl thiophosphate|Phosphorothioic acid, O-(2-(1,1-dimethylethyl)-5-pyrimidinyl) O-ethyl O-(1-methylethyl) ester|Phosphorothioic acid, o-(2-(1,1-dimethylethyl)-5-pyrimidinyl) o-ethyl-o-(1-methylethyl) ester|Phosphorothioic acid, O-[2-(1,1-dimethylethyl)-5-pyrimidinyl] O-ethyl O-(1-methylethyl) ester|Phostebupirim|Tebupirimphos|UNII-P036T39NSI https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032482
ERPathway2016 ERPathway2016_900 Tebupirimfos 96182-53-5 DTXSID1032482 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OC(C)C)OC1=CN=C(N=C1)C(C)(C)C Tebupirimfos 96182-53-5|Tebupirimfos|BAY-MAT 7484|HSDB 7136|MAT 7484|O-(2-(1,1-Dimethylethyl)-5-pyrimidinyl) O-ethyl O-(1-methylethyl) phosphorothioate|O-(2-tert-Butylpyrimidin-5-yl) o-ethyl o-isopropyl phosphorothioate|O-(2-tert-butylpyrimidin-5-yl) O-ethyl O-isopropyl thiophosphate|Phosphorothioic acid, O-(2-(1,1-dimethylethyl)-5-pyrimidinyl) O-ethyl O-(1-methylethyl) ester|Phosphorothioic acid, o-(2-(1,1-dimethylethyl)-5-pyrimidinyl) o-ethyl-o-(1-methylethyl) ester|Phosphorothioic acid, O-[2-(1,1-dimethylethyl)-5-pyrimidinyl] O-ethyl O-(1-methylethyl) ester|Phostebupirim|Tebupirimphos|UNII-P036T39NSI https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032482
ERPathway2016 ERPathway2016_900 Tebupirimfos 96182-53-5 DTXSID1032482 ER Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OC(C)C)OC1=CN=C(N=C1)C(C)(C)C Tebupirimfos 96182-53-5|Tebupirimfos|BAY-MAT 7484|HSDB 7136|MAT 7484|O-(2-(1,1-Dimethylethyl)-5-pyrimidinyl) O-ethyl O-(1-methylethyl) phosphorothioate|O-(2-tert-Butylpyrimidin-5-yl) o-ethyl o-isopropyl phosphorothioate|O-(2-tert-butylpyrimidin-5-yl) O-ethyl O-isopropyl thiophosphate|Phosphorothioic acid, O-(2-(1,1-dimethylethyl)-5-pyrimidinyl) O-ethyl O-(1-methylethyl) ester|Phosphorothioic acid, o-(2-(1,1-dimethylethyl)-5-pyrimidinyl) o-ethyl-o-(1-methylethyl) ester|Phosphorothioic acid, O-[2-(1,1-dimethylethyl)-5-pyrimidinyl] O-ethyl O-(1-methylethyl) ester|Phostebupirim|Tebupirimphos|UNII-P036T39NSI https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032482
ARPathway2016 ARPathway2016_1157 Tebuthiuron 34014-18-1 DTXSID3024316 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)N(C)C1=NN=C(S1)C(C)(C)C Tebuthiuron 34014-18-1|Tebuthiuron|1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea|1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimetylurea|1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-3-dimethylharnstoff|1,3-Dimethyl-1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)urea|BRN 0527479|Brush bullet|Caswell No. 366AA|EC No.: 251-793-7|EINECS 251-793-7|EL 103|EPA Pesticide Chemical Code 105501|Graslan|Graslan 250 brush bullets|N-(5-(1,1-Dimethylaethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylharnstoff|N-(5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylurea|N-[5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl]-N,N'-dimethylurea|Perflan|Prefmid|SPIKE|Spike 80W|Tebulan|tebuthiuron|Tebutiuron|Tiurolan|UNII-E5OX6GM11E|Urea, 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-|Urea, 2-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-|Urea, N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethyl-|Urea, N- [5- (1, 1- dimethylethyl) - 1, 3, 4- thiadiazol- 2- yl] - N, N'- dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024316
ARPathway2016 ARPathway2016_1157 Tebuthiuron 34014-18-1 DTXSID3024316 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CNC(=O)N(C)C1=NN=C(S1)C(C)(C)C Tebuthiuron 34014-18-1|Tebuthiuron|1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea|1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimetylurea|1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-3-dimethylharnstoff|1,3-Dimethyl-1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)urea|BRN 0527479|Brush bullet|Caswell No. 366AA|EC No.: 251-793-7|EINECS 251-793-7|EL 103|EPA Pesticide Chemical Code 105501|Graslan|Graslan 250 brush bullets|N-(5-(1,1-Dimethylaethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylharnstoff|N-(5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylurea|N-[5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl]-N,N'-dimethylurea|Perflan|Prefmid|SPIKE|Spike 80W|Tebulan|tebuthiuron|Tebutiuron|Tiurolan|UNII-E5OX6GM11E|Urea, 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-|Urea, 2-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-|Urea, N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethyl-|Urea, N- [5- (1, 1- dimethylethyl) - 1, 3, 4- thiadiazol- 2- yl] - N, N'- dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024316
ARPathway2016 ARPathway2016_1157 Tebuthiuron 34014-18-1 DTXSID3024316 0.0 AR Pathway Model, Agonist Call Inactive Unitless CNC(=O)N(C)C1=NN=C(S1)C(C)(C)C Tebuthiuron 34014-18-1|Tebuthiuron|1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea|1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimetylurea|1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-3-dimethylharnstoff|1,3-Dimethyl-1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)urea|BRN 0527479|Brush bullet|Caswell No. 366AA|EC No.: 251-793-7|EINECS 251-793-7|EL 103|EPA Pesticide Chemical Code 105501|Graslan|Graslan 250 brush bullets|N-(5-(1,1-Dimethylaethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylharnstoff|N-(5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylurea|N-[5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl]-N,N'-dimethylurea|Perflan|Prefmid|SPIKE|Spike 80W|Tebulan|tebuthiuron|Tebutiuron|Tiurolan|UNII-E5OX6GM11E|Urea, 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-|Urea, 2-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-|Urea, N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethyl-|Urea, N- [5- (1, 1- dimethylethyl) - 1, 3, 4- thiadiazol- 2- yl] - N, N'- dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024316
ARPathway2016 ARPathway2016_1157 Tebuthiuron 34014-18-1 DTXSID3024316 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CNC(=O)N(C)C1=NN=C(S1)C(C)(C)C Tebuthiuron 34014-18-1|Tebuthiuron|1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea|1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimetylurea|1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-3-dimethylharnstoff|1,3-Dimethyl-1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)urea|BRN 0527479|Brush bullet|Caswell No. 366AA|EC No.: 251-793-7|EINECS 251-793-7|EL 103|EPA Pesticide Chemical Code 105501|Graslan|Graslan 250 brush bullets|N-(5-(1,1-Dimethylaethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylharnstoff|N-(5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylurea|N-[5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl]-N,N'-dimethylurea|Perflan|Prefmid|SPIKE|Spike 80W|Tebulan|tebuthiuron|Tebutiuron|Tiurolan|UNII-E5OX6GM11E|Urea, 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-|Urea, 2-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-|Urea, N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethyl-|Urea, N- [5- (1, 1- dimethylethyl) - 1, 3, 4- thiadiazol- 2- yl] - N, N'- dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024316
ERPathway2016 ERPathway2016_1459 Tebuthiuron 34014-18-1 DTXSID3024316 ER Pathway Model, Agonist Model Score 0 Unitless CNC(=O)N(C)C1=NN=C(S1)C(C)(C)C Tebuthiuron 34014-18-1|Tebuthiuron|1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea|1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimetylurea|1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-3-dimethylharnstoff|1,3-Dimethyl-1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)urea|BRN 0527479|Brush bullet|Caswell No. 366AA|EC No.: 251-793-7|EINECS 251-793-7|EL 103|EPA Pesticide Chemical Code 105501|Graslan|Graslan 250 brush bullets|N-(5-(1,1-Dimethylaethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylharnstoff|N-(5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylurea|N-[5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl]-N,N'-dimethylurea|Perflan|Prefmid|SPIKE|Spike 80W|Tebulan|tebuthiuron|Tebutiuron|Tiurolan|UNII-E5OX6GM11E|Urea, 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-|Urea, 2-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-|Urea, N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethyl-|Urea, N- [5- (1, 1- dimethylethyl) - 1, 3, 4- thiadiazol- 2- yl] - N, N'- dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024316
ERPathway2016 ERPathway2016_1459 Tebuthiuron 34014-18-1 DTXSID3024316 ER Pathway Model, Antagonist Model Score 0 Unitless CNC(=O)N(C)C1=NN=C(S1)C(C)(C)C Tebuthiuron 34014-18-1|Tebuthiuron|1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea|1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimetylurea|1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-3-dimethylharnstoff|1,3-Dimethyl-1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)urea|BRN 0527479|Brush bullet|Caswell No. 366AA|EC No.: 251-793-7|EINECS 251-793-7|EL 103|EPA Pesticide Chemical Code 105501|Graslan|Graslan 250 brush bullets|N-(5-(1,1-Dimethylaethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylharnstoff|N-(5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylurea|N-[5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl]-N,N'-dimethylurea|Perflan|Prefmid|SPIKE|Spike 80W|Tebulan|tebuthiuron|Tebutiuron|Tiurolan|UNII-E5OX6GM11E|Urea, 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-|Urea, 2-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-|Urea, N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethyl-|Urea, N- [5- (1, 1- dimethylethyl) - 1, 3, 4- thiadiazol- 2- yl] - N, N'- dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024316
ERPathway2016 ERPathway2016_1459 Tebuthiuron 34014-18-1 DTXSID3024316 ER Pathway Model, Agonist Call Inactive Unitless CNC(=O)N(C)C1=NN=C(S1)C(C)(C)C Tebuthiuron 34014-18-1|Tebuthiuron|1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea|1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimetylurea|1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-3-dimethylharnstoff|1,3-Dimethyl-1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)urea|BRN 0527479|Brush bullet|Caswell No. 366AA|EC No.: 251-793-7|EINECS 251-793-7|EL 103|EPA Pesticide Chemical Code 105501|Graslan|Graslan 250 brush bullets|N-(5-(1,1-Dimethylaethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylharnstoff|N-(5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylurea|N-[5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl]-N,N'-dimethylurea|Perflan|Prefmid|SPIKE|Spike 80W|Tebulan|tebuthiuron|Tebutiuron|Tiurolan|UNII-E5OX6GM11E|Urea, 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-|Urea, 2-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-|Urea, N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethyl-|Urea, N- [5- (1, 1- dimethylethyl) - 1, 3, 4- thiadiazol- 2- yl] - N, N'- dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024316
ERPathway2016 ERPathway2016_1459 Tebuthiuron 34014-18-1 DTXSID3024316 ER Pathway Model, Antagonist Call Inactive Unitless CNC(=O)N(C)C1=NN=C(S1)C(C)(C)C Tebuthiuron 34014-18-1|Tebuthiuron|1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea|1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimetylurea|1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-3-dimethylharnstoff|1,3-Dimethyl-1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)urea|BRN 0527479|Brush bullet|Caswell No. 366AA|EC No.: 251-793-7|EINECS 251-793-7|EL 103|EPA Pesticide Chemical Code 105501|Graslan|Graslan 250 brush bullets|N-(5-(1,1-Dimethylaethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylharnstoff|N-(5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylurea|N-[5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl]-N,N'-dimethylurea|Perflan|Prefmid|SPIKE|Spike 80W|Tebulan|tebuthiuron|Tebutiuron|Tiurolan|UNII-E5OX6GM11E|Urea, 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-|Urea, 2-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-|Urea, N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethyl-|Urea, N- [5- (1, 1- dimethylethyl) - 1, 3, 4- thiadiazol- 2- yl] - N, N'- dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3024316
ARPathway2016 ARPathway2016_1590 Tefluthrin 79538-32-2 DTXSID5032577 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(F)C(F)=C(COC(=O)[C@H]2[C@@H](C=C(/Cl)C(F)(F)F)C2(C)C)C(F)=C1F Tefluthrin 79538-32-2|Tefluthrin|2,3,5,6-tetrafluoro-4-methylbenzyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylate|2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate|616-699-6|ASF611|CGA221149|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, [1a,3a(Z)]-|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, [1a,3a(Z)]-(+/-)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3R)-rel-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3R)-rel-|EC No.: 616-699-6|Force|Force (pesticide)|Force 3G|Force CS|ICI993|JF 6064|Komet RP|P.C. Code 128912|PC Code 128912|PP 993|PP993|ProShield|R 151|76437-51-9|93907-48-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032577
ARPathway2016 ARPathway2016_1590 Tefluthrin 79538-32-2 DTXSID5032577 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(F)C(F)=C(COC(=O)[C@H]2[C@@H](C=C(/Cl)C(F)(F)F)C2(C)C)C(F)=C1F Tefluthrin 79538-32-2|Tefluthrin|2,3,5,6-tetrafluoro-4-methylbenzyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylate|2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate|616-699-6|ASF611|CGA221149|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, [1a,3a(Z)]-|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, [1a,3a(Z)]-(+/-)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3R)-rel-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3R)-rel-|EC No.: 616-699-6|Force|Force (pesticide)|Force 3G|Force CS|ICI993|JF 6064|Komet RP|P.C. Code 128912|PC Code 128912|PP 993|PP993|ProShield|R 151|76437-51-9|93907-48-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032577
ARPathway2016 ARPathway2016_1590 Tefluthrin 79538-32-2 DTXSID5032577 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(F)C(F)=C(COC(=O)[C@H]2[C@@H](C=C(/Cl)C(F)(F)F)C2(C)C)C(F)=C1F Tefluthrin 79538-32-2|Tefluthrin|2,3,5,6-tetrafluoro-4-methylbenzyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylate|2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate|616-699-6|ASF611|CGA221149|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, [1a,3a(Z)]-|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, [1a,3a(Z)]-(+/-)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3R)-rel-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3R)-rel-|EC No.: 616-699-6|Force|Force (pesticide)|Force 3G|Force CS|ICI993|JF 6064|Komet RP|P.C. Code 128912|PC Code 128912|PP 993|PP993|ProShield|R 151|76437-51-9|93907-48-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032577
ARPathway2016 ARPathway2016_1590 Tefluthrin 79538-32-2 DTXSID5032577 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(F)C(F)=C(COC(=O)[C@H]2[C@@H](C=C(/Cl)C(F)(F)F)C2(C)C)C(F)=C1F Tefluthrin 79538-32-2|Tefluthrin|2,3,5,6-tetrafluoro-4-methylbenzyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylate|2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate|616-699-6|ASF611|CGA221149|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, [1a,3a(Z)]-|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, [1a,3a(Z)]-(+/-)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3R)-rel-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3R)-rel-|EC No.: 616-699-6|Force|Force (pesticide)|Force 3G|Force CS|ICI993|JF 6064|Komet RP|P.C. Code 128912|PC Code 128912|PP 993|PP993|ProShield|R 151|76437-51-9|93907-48-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032577
ERPathway2016 ERPathway2016_898 Tefluthrin 79538-32-2 DTXSID5032577 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(F)C(F)=C(COC(=O)[C@H]2[C@@H](C=C(/Cl)C(F)(F)F)C2(C)C)C(F)=C1F Tefluthrin 79538-32-2|Tefluthrin|2,3,5,6-tetrafluoro-4-methylbenzyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylate|2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate|616-699-6|ASF611|CGA221149|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, [1a,3a(Z)]-|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, [1a,3a(Z)]-(+/-)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3R)-rel-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3R)-rel-|EC No.: 616-699-6|Force|Force (pesticide)|Force 3G|Force CS|ICI993|JF 6064|Komet RP|P.C. Code 128912|PC Code 128912|PP 993|PP993|ProShield|R 151|76437-51-9|93907-48-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032577
ERPathway2016 ERPathway2016_898 Tefluthrin 79538-32-2 DTXSID5032577 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(F)C(F)=C(COC(=O)[C@H]2[C@@H](C=C(/Cl)C(F)(F)F)C2(C)C)C(F)=C1F Tefluthrin 79538-32-2|Tefluthrin|2,3,5,6-tetrafluoro-4-methylbenzyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylate|2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate|616-699-6|ASF611|CGA221149|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, [1a,3a(Z)]-|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, [1a,3a(Z)]-(+/-)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3R)-rel-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3R)-rel-|EC No.: 616-699-6|Force|Force (pesticide)|Force 3G|Force CS|ICI993|JF 6064|Komet RP|P.C. Code 128912|PC Code 128912|PP 993|PP993|ProShield|R 151|76437-51-9|93907-48-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032577
ERPathway2016 ERPathway2016_898 Tefluthrin 79538-32-2 DTXSID5032577 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(F)C(F)=C(COC(=O)[C@H]2[C@@H](C=C(/Cl)C(F)(F)F)C2(C)C)C(F)=C1F Tefluthrin 79538-32-2|Tefluthrin|2,3,5,6-tetrafluoro-4-methylbenzyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylate|2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate|616-699-6|ASF611|CGA221149|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, [1a,3a(Z)]-|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, [1a,3a(Z)]-(+/-)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3R)-rel-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3R)-rel-|EC No.: 616-699-6|Force|Force (pesticide)|Force 3G|Force CS|ICI993|JF 6064|Komet RP|P.C. Code 128912|PC Code 128912|PP 993|PP993|ProShield|R 151|76437-51-9|93907-48-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032577
ERPathway2016 ERPathway2016_898 Tefluthrin 79538-32-2 DTXSID5032577 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(F)C(F)=C(COC(=O)[C@H]2[C@@H](C=C(/Cl)C(F)(F)F)C2(C)C)C(F)=C1F Tefluthrin 79538-32-2|Tefluthrin|2,3,5,6-tetrafluoro-4-methylbenzyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylate|2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate|616-699-6|ASF611|CGA221149|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, [1a,3a(Z)]-|Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, [1a,3a(Z)]-(+/-)-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3R)-rel-|Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3R)-rel-|EC No.: 616-699-6|Force|Force (pesticide)|Force 3G|Force CS|ICI993|JF 6064|Komet RP|P.C. Code 128912|PC Code 128912|PP 993|PP993|ProShield|R 151|76437-51-9|93907-48-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032577
ARPathway2016 ARPathway2016_158 Temephos 3383-96-8 DTXSID1032484 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist AC50 42.46222122 uM COP(=S)(OC)OC1=CC=C(SC2=CC=C(OP(=S)(OC)OC)C=C2)C=C1 Temephos 3383-96-8|Temephos|Abaphos|Abate|Abathion|American cyanamid AC 52,160|American cyanamid CL-52160|American cyanamid E.I. 52,160|Biothion|Bis-p-(O,O-dimethyl O-phenylphosphorothioate)sulfide|Bithion|BRN 1896901|Caswell No. 845|Difenphos|Ecopro 1707|EINECS 222-191-1|EPA Pesticide Chemical Code 059001|Experimental insecticide 52160|Nimitex|Nimitox|O,O-Dimethyl phosphorothioate O,O-diester with 4,4'-thiodiphenol|O,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(thiophosphate)|O,O,O',O'-Tetramethyl O,O'-thiodi-P-phenylene bis(phosphorothioate)|O,O,O',O'-Tetramethyl O,O'-thiodi-p-phenylene diphosphorothioate|O,O'-(Thiodi-4,1-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)bis(O,O-dimethyl phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)phosphorothioic acid O,O,O',O'-tetramethyl ester|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl bis(phosphorothioate)|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|Phenol, 4,4'-thiodi-, O,O-diester with O,O-dimethyl phosphorothioate|Phos|53320-58-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032484
ARPathway2016 ARPathway2016_158 Temephos 3383-96-8 DTXSID1032484 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist ACC 33.264528431822 uM COP(=S)(OC)OC1=CC=C(SC2=CC=C(OP(=S)(OC)OC)C=C2)C=C1 Temephos 3383-96-8|Temephos|Abaphos|Abate|Abathion|American cyanamid AC 52,160|American cyanamid CL-52160|American cyanamid E.I. 52,160|Biothion|Bis-p-(O,O-dimethyl O-phenylphosphorothioate)sulfide|Bithion|BRN 1896901|Caswell No. 845|Difenphos|Ecopro 1707|EINECS 222-191-1|EPA Pesticide Chemical Code 059001|Experimental insecticide 52160|Nimitex|Nimitox|O,O-Dimethyl phosphorothioate O,O-diester with 4,4'-thiodiphenol|O,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(thiophosphate)|O,O,O',O'-Tetramethyl O,O'-thiodi-P-phenylene bis(phosphorothioate)|O,O,O',O'-Tetramethyl O,O'-thiodi-p-phenylene diphosphorothioate|O,O'-(Thiodi-4,1-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)bis(O,O-dimethyl phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)phosphorothioic acid O,O,O',O'-tetramethyl ester|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl bis(phosphorothioate)|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|Phenol, 4,4'-thiodi-, O,O-diester with O,O-dimethyl phosphorothioate|Phos|53320-58-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032484
ARPathway2016 ARPathway2016_158 Temephos 3383-96-8 DTXSID1032484 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0748 Unitless COP(=S)(OC)OC1=CC=C(SC2=CC=C(OP(=S)(OC)OC)C=C2)C=C1 Temephos 3383-96-8|Temephos|Abaphos|Abate|Abathion|American cyanamid AC 52,160|American cyanamid CL-52160|American cyanamid E.I. 52,160|Biothion|Bis-p-(O,O-dimethyl O-phenylphosphorothioate)sulfide|Bithion|BRN 1896901|Caswell No. 845|Difenphos|Ecopro 1707|EINECS 222-191-1|EPA Pesticide Chemical Code 059001|Experimental insecticide 52160|Nimitex|Nimitox|O,O-Dimethyl phosphorothioate O,O-diester with 4,4'-thiodiphenol|O,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(thiophosphate)|O,O,O',O'-Tetramethyl O,O'-thiodi-P-phenylene bis(phosphorothioate)|O,O,O',O'-Tetramethyl O,O'-thiodi-p-phenylene diphosphorothioate|O,O'-(Thiodi-4,1-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)bis(O,O-dimethyl phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)phosphorothioic acid O,O,O',O'-tetramethyl ester|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl bis(phosphorothioate)|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|Phenol, 4,4'-thiodi-, O,O-diester with O,O-dimethyl phosphorothioate|Phos|53320-58-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032484
ARPathway2016 ARPathway2016_158 Temephos 3383-96-8 DTXSID1032484 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless COP(=S)(OC)OC1=CC=C(SC2=CC=C(OP(=S)(OC)OC)C=C2)C=C1 Temephos 3383-96-8|Temephos|Abaphos|Abate|Abathion|American cyanamid AC 52,160|American cyanamid CL-52160|American cyanamid E.I. 52,160|Biothion|Bis-p-(O,O-dimethyl O-phenylphosphorothioate)sulfide|Bithion|BRN 1896901|Caswell No. 845|Difenphos|Ecopro 1707|EINECS 222-191-1|EPA Pesticide Chemical Code 059001|Experimental insecticide 52160|Nimitex|Nimitox|O,O-Dimethyl phosphorothioate O,O-diester with 4,4'-thiodiphenol|O,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(thiophosphate)|O,O,O',O'-Tetramethyl O,O'-thiodi-P-phenylene bis(phosphorothioate)|O,O,O',O'-Tetramethyl O,O'-thiodi-p-phenylene diphosphorothioate|O,O'-(Thiodi-4,1-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)bis(O,O-dimethyl phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)phosphorothioic acid O,O,O',O'-tetramethyl ester|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl bis(phosphorothioate)|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|Phenol, 4,4'-thiodi-, O,O-diester with O,O-dimethyl phosphorothioate|Phos|53320-58-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032484
ARPathway2016 ARPathway2016_158 Temephos 3383-96-8 DTXSID1032484 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Agonist Call Active Unitless COP(=S)(OC)OC1=CC=C(SC2=CC=C(OP(=S)(OC)OC)C=C2)C=C1 Temephos 3383-96-8|Temephos|Abaphos|Abate|Abathion|American cyanamid AC 52,160|American cyanamid CL-52160|American cyanamid E.I. 52,160|Biothion|Bis-p-(O,O-dimethyl O-phenylphosphorothioate)sulfide|Bithion|BRN 1896901|Caswell No. 845|Difenphos|Ecopro 1707|EINECS 222-191-1|EPA Pesticide Chemical Code 059001|Experimental insecticide 52160|Nimitex|Nimitox|O,O-Dimethyl phosphorothioate O,O-diester with 4,4'-thiodiphenol|O,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(thiophosphate)|O,O,O',O'-Tetramethyl O,O'-thiodi-P-phenylene bis(phosphorothioate)|O,O,O',O'-Tetramethyl O,O'-thiodi-p-phenylene diphosphorothioate|O,O'-(Thiodi-4,1-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)bis(O,O-dimethyl phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)phosphorothioic acid O,O,O',O'-tetramethyl ester|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl bis(phosphorothioate)|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|Phenol, 4,4'-thiodi-, O,O-diester with O,O-dimethyl phosphorothioate|Phos|53320-58-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032484
ARPathway2016 ARPathway2016_158 Temephos 3383-96-8 DTXSID1032484 FLAG: Antagonist shift, but CI overlap 2.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless COP(=S)(OC)OC1=CC=C(SC2=CC=C(OP(=S)(OC)OC)C=C2)C=C1 Temephos 3383-96-8|Temephos|Abaphos|Abate|Abathion|American cyanamid AC 52,160|American cyanamid CL-52160|American cyanamid E.I. 52,160|Biothion|Bis-p-(O,O-dimethyl O-phenylphosphorothioate)sulfide|Bithion|BRN 1896901|Caswell No. 845|Difenphos|Ecopro 1707|EINECS 222-191-1|EPA Pesticide Chemical Code 059001|Experimental insecticide 52160|Nimitex|Nimitox|O,O-Dimethyl phosphorothioate O,O-diester with 4,4'-thiodiphenol|O,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(thiophosphate)|O,O,O',O'-Tetramethyl O,O'-thiodi-P-phenylene bis(phosphorothioate)|O,O,O',O'-Tetramethyl O,O'-thiodi-p-phenylene diphosphorothioate|O,O'-(Thiodi-4,1-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)bis(O,O-dimethyl phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)phosphorothioic acid O,O,O',O'-tetramethyl ester|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl bis(phosphorothioate)|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|Phenol, 4,4'-thiodi-, O,O-diester with O,O-dimethyl phosphorothioate|Phos|53320-58-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032484
ERPathway2016 ERPathway2016_45 Temephos 3383-96-8 DTXSID1032484 A2 ER Pathway Model, Agonist AC50 11.6618200664299 uM COP(=S)(OC)OC1=CC=C(SC2=CC=C(OP(=S)(OC)OC)C=C2)C=C1 Temephos 3383-96-8|Temephos|Abaphos|Abate|Abathion|American cyanamid AC 52,160|American cyanamid CL-52160|American cyanamid E.I. 52,160|Biothion|Bis-p-(O,O-dimethyl O-phenylphosphorothioate)sulfide|Bithion|BRN 1896901|Caswell No. 845|Difenphos|Ecopro 1707|EINECS 222-191-1|EPA Pesticide Chemical Code 059001|Experimental insecticide 52160|Nimitex|Nimitox|O,O-Dimethyl phosphorothioate O,O-diester with 4,4'-thiodiphenol|O,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(thiophosphate)|O,O,O',O'-Tetramethyl O,O'-thiodi-P-phenylene bis(phosphorothioate)|O,O,O',O'-Tetramethyl O,O'-thiodi-p-phenylene diphosphorothioate|O,O'-(Thiodi-4,1-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)bis(O,O-dimethyl phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)phosphorothioic acid O,O,O',O'-tetramethyl ester|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl bis(phosphorothioate)|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|Phenol, 4,4'-thiodi-, O,O-diester with O,O-dimethyl phosphorothioate|Phos|53320-58-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032484
ERPathway2016 ERPathway2016_45 Temephos 3383-96-8 DTXSID1032484 A2 ER Pathway Model, Agonist ACC 2.17959027379014 uM COP(=S)(OC)OC1=CC=C(SC2=CC=C(OP(=S)(OC)OC)C=C2)C=C1 Temephos 3383-96-8|Temephos|Abaphos|Abate|Abathion|American cyanamid AC 52,160|American cyanamid CL-52160|American cyanamid E.I. 52,160|Biothion|Bis-p-(O,O-dimethyl O-phenylphosphorothioate)sulfide|Bithion|BRN 1896901|Caswell No. 845|Difenphos|Ecopro 1707|EINECS 222-191-1|EPA Pesticide Chemical Code 059001|Experimental insecticide 52160|Nimitex|Nimitox|O,O-Dimethyl phosphorothioate O,O-diester with 4,4'-thiodiphenol|O,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(thiophosphate)|O,O,O',O'-Tetramethyl O,O'-thiodi-P-phenylene bis(phosphorothioate)|O,O,O',O'-Tetramethyl O,O'-thiodi-p-phenylene diphosphorothioate|O,O'-(Thiodi-4,1-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)bis(O,O-dimethyl phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)phosphorothioic acid O,O,O',O'-tetramethyl ester|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl bis(phosphorothioate)|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|Phenol, 4,4'-thiodi-, O,O-diester with O,O-dimethyl phosphorothioate|Phos|53320-58-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032484
ERPathway2016 ERPathway2016_45 Temephos 3383-96-8 DTXSID1032484 A2 ER Pathway Model, Agonist Model Score 0.00268 Unitless COP(=S)(OC)OC1=CC=C(SC2=CC=C(OP(=S)(OC)OC)C=C2)C=C1 Temephos 3383-96-8|Temephos|Abaphos|Abate|Abathion|American cyanamid AC 52,160|American cyanamid CL-52160|American cyanamid E.I. 52,160|Biothion|Bis-p-(O,O-dimethyl O-phenylphosphorothioate)sulfide|Bithion|BRN 1896901|Caswell No. 845|Difenphos|Ecopro 1707|EINECS 222-191-1|EPA Pesticide Chemical Code 059001|Experimental insecticide 52160|Nimitex|Nimitox|O,O-Dimethyl phosphorothioate O,O-diester with 4,4'-thiodiphenol|O,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(thiophosphate)|O,O,O',O'-Tetramethyl O,O'-thiodi-P-phenylene bis(phosphorothioate)|O,O,O',O'-Tetramethyl O,O'-thiodi-p-phenylene diphosphorothioate|O,O'-(Thiodi-4,1-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)bis(O,O-dimethyl phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)phosphorothioic acid O,O,O',O'-tetramethyl ester|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl bis(phosphorothioate)|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|Phenol, 4,4'-thiodi-, O,O-diester with O,O-dimethyl phosphorothioate|Phos|53320-58-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032484
ERPathway2016 ERPathway2016_45 Temephos 3383-96-8 DTXSID1032484 A2 ER Pathway Model, Antagonist Model Score 0.0264 Unitless COP(=S)(OC)OC1=CC=C(SC2=CC=C(OP(=S)(OC)OC)C=C2)C=C1 Temephos 3383-96-8|Temephos|Abaphos|Abate|Abathion|American cyanamid AC 52,160|American cyanamid CL-52160|American cyanamid E.I. 52,160|Biothion|Bis-p-(O,O-dimethyl O-phenylphosphorothioate)sulfide|Bithion|BRN 1896901|Caswell No. 845|Difenphos|Ecopro 1707|EINECS 222-191-1|EPA Pesticide Chemical Code 059001|Experimental insecticide 52160|Nimitex|Nimitox|O,O-Dimethyl phosphorothioate O,O-diester with 4,4'-thiodiphenol|O,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(thiophosphate)|O,O,O',O'-Tetramethyl O,O'-thiodi-P-phenylene bis(phosphorothioate)|O,O,O',O'-Tetramethyl O,O'-thiodi-p-phenylene diphosphorothioate|O,O'-(Thiodi-4,1-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)bis(O,O-dimethyl phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)phosphorothioic acid O,O,O',O'-tetramethyl ester|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl bis(phosphorothioate)|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|Phenol, 4,4'-thiodi-, O,O-diester with O,O-dimethyl phosphorothioate|Phos|53320-58-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032484
ERPathway2016 ERPathway2016_45 Temephos 3383-96-8 DTXSID1032484 A2 ER Pathway Model, Agonist Call Active Unitless COP(=S)(OC)OC1=CC=C(SC2=CC=C(OP(=S)(OC)OC)C=C2)C=C1 Temephos 3383-96-8|Temephos|Abaphos|Abate|Abathion|American cyanamid AC 52,160|American cyanamid CL-52160|American cyanamid E.I. 52,160|Biothion|Bis-p-(O,O-dimethyl O-phenylphosphorothioate)sulfide|Bithion|BRN 1896901|Caswell No. 845|Difenphos|Ecopro 1707|EINECS 222-191-1|EPA Pesticide Chemical Code 059001|Experimental insecticide 52160|Nimitex|Nimitox|O,O-Dimethyl phosphorothioate O,O-diester with 4,4'-thiodiphenol|O,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(thiophosphate)|O,O,O',O'-Tetramethyl O,O'-thiodi-P-phenylene bis(phosphorothioate)|O,O,O',O'-Tetramethyl O,O'-thiodi-p-phenylene diphosphorothioate|O,O'-(Thiodi-4,1-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)bis(O,O-dimethyl phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)phosphorothioic acid O,O,O',O'-tetramethyl ester|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl bis(phosphorothioate)|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|Phenol, 4,4'-thiodi-, O,O-diester with O,O-dimethyl phosphorothioate|Phos|53320-58-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032484
ERPathway2016 ERPathway2016_45 Temephos 3383-96-8 DTXSID1032484 A2 ER Pathway Model, Antagonist Call Inactive Unitless COP(=S)(OC)OC1=CC=C(SC2=CC=C(OP(=S)(OC)OC)C=C2)C=C1 Temephos 3383-96-8|Temephos|Abaphos|Abate|Abathion|American cyanamid AC 52,160|American cyanamid CL-52160|American cyanamid E.I. 52,160|Biothion|Bis-p-(O,O-dimethyl O-phenylphosphorothioate)sulfide|Bithion|BRN 1896901|Caswell No. 845|Difenphos|Ecopro 1707|EINECS 222-191-1|EPA Pesticide Chemical Code 059001|Experimental insecticide 52160|Nimitex|Nimitox|O,O-Dimethyl phosphorothioate O,O-diester with 4,4'-thiodiphenol|O,O,O',O'-tetramethyl O,O'-(sulfanediyldibenzene-4,1-diyl) bis(thiophosphate)|O,O,O',O'-Tetramethyl O,O'-thiodi-P-phenylene bis(phosphorothioate)|O,O,O',O'-Tetramethyl O,O'-thiodi-p-phenylene diphosphorothioate|O,O'-(Thiodi-4,1-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)bis(O,O-dimethyl phosphorothioate)|O,O'-(Thiodi-4,1-phenylene)phosphorothioic acid O,O,O',O'-tetramethyl ester|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl bis(phosphorothioate)|O,O'-(Thiodi-p-phenylene) O,O,O',O'-tetramethyl di(phosphorothioate)|Phenol, 4,4'-thiodi-, O,O-diester with O,O-dimethyl phosphorothioate|Phos|53320-58-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032484
ARPathway2016 ARPathway2016_878 Tepraloxydim 149979-41-9 DTXSID7034252 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(=NOCC=CCl)C1=C(O)CC(CC1=O)C1CCOCC1 Tepraloxydim 149979-41-9|Tepraloxydim|(EZ)-(RS)-2-[1-[(2E)-3-Chloroallyloxyimino]propyl]-3-hydro xy-5-perhydropyran-4-ylcyclohex-2-en-1-one|2-[1-[[[(2E)-3-Chloro-2-propen-1-yl]oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-2-cyclohexen-1-one|2-Cyclohexen-1-one, 2-[1-[[(3-chloro-2-propenyl)oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-, (E or Z)-|2- Cyclohexen- 1- one, 2- [1- [[[(2E) - 3- chloro- 2- propen- 1- yl] oxy] imino] propyl] - 3- hydroxy- 5- (tetrahydro- 2H- pyran- 4- yl) -|2-Cyclohexen-1-one, 2-[1-[[[(2E)-3-chloro-2-propenyl]oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-|604-715-4|Aramo|BAS 620 H|BAS 620H|Caloxydim|EC No.: 604-715-4|Equinox https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034252
ARPathway2016 ARPathway2016_878 Tepraloxydim 149979-41-9 DTXSID7034252 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC(=NOCC=CCl)C1=C(O)CC(CC1=O)C1CCOCC1 Tepraloxydim 149979-41-9|Tepraloxydim|(EZ)-(RS)-2-[1-[(2E)-3-Chloroallyloxyimino]propyl]-3-hydro xy-5-perhydropyran-4-ylcyclohex-2-en-1-one|2-[1-[[[(2E)-3-Chloro-2-propen-1-yl]oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-2-cyclohexen-1-one|2-Cyclohexen-1-one, 2-[1-[[(3-chloro-2-propenyl)oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-, (E or Z)-|2- Cyclohexen- 1- one, 2- [1- [[[(2E) - 3- chloro- 2- propen- 1- yl] oxy] imino] propyl] - 3- hydroxy- 5- (tetrahydro- 2H- pyran- 4- yl) -|2-Cyclohexen-1-one, 2-[1-[[[(2E)-3-chloro-2-propenyl]oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-|604-715-4|Aramo|BAS 620 H|BAS 620H|Caloxydim|EC No.: 604-715-4|Equinox https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034252
ARPathway2016 ARPathway2016_878 Tepraloxydim 149979-41-9 DTXSID7034252 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC(=NOCC=CCl)C1=C(O)CC(CC1=O)C1CCOCC1 Tepraloxydim 149979-41-9|Tepraloxydim|(EZ)-(RS)-2-[1-[(2E)-3-Chloroallyloxyimino]propyl]-3-hydro xy-5-perhydropyran-4-ylcyclohex-2-en-1-one|2-[1-[[[(2E)-3-Chloro-2-propen-1-yl]oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-2-cyclohexen-1-one|2-Cyclohexen-1-one, 2-[1-[[(3-chloro-2-propenyl)oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-, (E or Z)-|2- Cyclohexen- 1- one, 2- [1- [[[(2E) - 3- chloro- 2- propen- 1- yl] oxy] imino] propyl] - 3- hydroxy- 5- (tetrahydro- 2H- pyran- 4- yl) -|2-Cyclohexen-1-one, 2-[1-[[[(2E)-3-chloro-2-propenyl]oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-|604-715-4|Aramo|BAS 620 H|BAS 620H|Caloxydim|EC No.: 604-715-4|Equinox https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034252
ARPathway2016 ARPathway2016_878 Tepraloxydim 149979-41-9 DTXSID7034252 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC(=NOCC=CCl)C1=C(O)CC(CC1=O)C1CCOCC1 Tepraloxydim 149979-41-9|Tepraloxydim|(EZ)-(RS)-2-[1-[(2E)-3-Chloroallyloxyimino]propyl]-3-hydro xy-5-perhydropyran-4-ylcyclohex-2-en-1-one|2-[1-[[[(2E)-3-Chloro-2-propen-1-yl]oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-2-cyclohexen-1-one|2-Cyclohexen-1-one, 2-[1-[[(3-chloro-2-propenyl)oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-, (E or Z)-|2- Cyclohexen- 1- one, 2- [1- [[[(2E) - 3- chloro- 2- propen- 1- yl] oxy] imino] propyl] - 3- hydroxy- 5- (tetrahydro- 2H- pyran- 4- yl) -|2-Cyclohexen-1-one, 2-[1-[[[(2E)-3-chloro-2-propenyl]oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-|604-715-4|Aramo|BAS 620 H|BAS 620H|Caloxydim|EC No.: 604-715-4|Equinox https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034252
ERPathway2016 ERPathway2016_1316 Tepraloxydim 149979-41-9 DTXSID7034252 ER Pathway Model, Agonist Model Score 0 Unitless CCC(=NOCC=CCl)C1=C(O)CC(CC1=O)C1CCOCC1 Tepraloxydim 149979-41-9|Tepraloxydim|(EZ)-(RS)-2-[1-[(2E)-3-Chloroallyloxyimino]propyl]-3-hydro xy-5-perhydropyran-4-ylcyclohex-2-en-1-one|2-[1-[[[(2E)-3-Chloro-2-propen-1-yl]oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-2-cyclohexen-1-one|2-Cyclohexen-1-one, 2-[1-[[(3-chloro-2-propenyl)oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-, (E or Z)-|2- Cyclohexen- 1- one, 2- [1- [[[(2E) - 3- chloro- 2- propen- 1- yl] oxy] imino] propyl] - 3- hydroxy- 5- (tetrahydro- 2H- pyran- 4- yl) -|2-Cyclohexen-1-one, 2-[1-[[[(2E)-3-chloro-2-propenyl]oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-|604-715-4|Aramo|BAS 620 H|BAS 620H|Caloxydim|EC No.: 604-715-4|Equinox https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034252
ERPathway2016 ERPathway2016_1316 Tepraloxydim 149979-41-9 DTXSID7034252 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(=NOCC=CCl)C1=C(O)CC(CC1=O)C1CCOCC1 Tepraloxydim 149979-41-9|Tepraloxydim|(EZ)-(RS)-2-[1-[(2E)-3-Chloroallyloxyimino]propyl]-3-hydro xy-5-perhydropyran-4-ylcyclohex-2-en-1-one|2-[1-[[[(2E)-3-Chloro-2-propen-1-yl]oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-2-cyclohexen-1-one|2-Cyclohexen-1-one, 2-[1-[[(3-chloro-2-propenyl)oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-, (E or Z)-|2- Cyclohexen- 1- one, 2- [1- [[[(2E) - 3- chloro- 2- propen- 1- yl] oxy] imino] propyl] - 3- hydroxy- 5- (tetrahydro- 2H- pyran- 4- yl) -|2-Cyclohexen-1-one, 2-[1-[[[(2E)-3-chloro-2-propenyl]oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-|604-715-4|Aramo|BAS 620 H|BAS 620H|Caloxydim|EC No.: 604-715-4|Equinox https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034252
ERPathway2016 ERPathway2016_1316 Tepraloxydim 149979-41-9 DTXSID7034252 ER Pathway Model, Agonist Call Inactive Unitless CCC(=NOCC=CCl)C1=C(O)CC(CC1=O)C1CCOCC1 Tepraloxydim 149979-41-9|Tepraloxydim|(EZ)-(RS)-2-[1-[(2E)-3-Chloroallyloxyimino]propyl]-3-hydro xy-5-perhydropyran-4-ylcyclohex-2-en-1-one|2-[1-[[[(2E)-3-Chloro-2-propen-1-yl]oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-2-cyclohexen-1-one|2-Cyclohexen-1-one, 2-[1-[[(3-chloro-2-propenyl)oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-, (E or Z)-|2- Cyclohexen- 1- one, 2- [1- [[[(2E) - 3- chloro- 2- propen- 1- yl] oxy] imino] propyl] - 3- hydroxy- 5- (tetrahydro- 2H- pyran- 4- yl) -|2-Cyclohexen-1-one, 2-[1-[[[(2E)-3-chloro-2-propenyl]oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-|604-715-4|Aramo|BAS 620 H|BAS 620H|Caloxydim|EC No.: 604-715-4|Equinox https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034252
ERPathway2016 ERPathway2016_1316 Tepraloxydim 149979-41-9 DTXSID7034252 ER Pathway Model, Antagonist Call Inactive Unitless CCC(=NOCC=CCl)C1=C(O)CC(CC1=O)C1CCOCC1 Tepraloxydim 149979-41-9|Tepraloxydim|(EZ)-(RS)-2-[1-[(2E)-3-Chloroallyloxyimino]propyl]-3-hydro xy-5-perhydropyran-4-ylcyclohex-2-en-1-one|2-[1-[[[(2E)-3-Chloro-2-propen-1-yl]oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-2-cyclohexen-1-one|2-Cyclohexen-1-one, 2-[1-[[(3-chloro-2-propenyl)oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-, (E or Z)-|2- Cyclohexen- 1- one, 2- [1- [[[(2E) - 3- chloro- 2- propen- 1- yl] oxy] imino] propyl] - 3- hydroxy- 5- (tetrahydro- 2H- pyran- 4- yl) -|2-Cyclohexen-1-one, 2-[1-[[[(2E)-3-chloro-2-propenyl]oxy]imino]propyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)-|604-715-4|Aramo|BAS 620 H|BAS 620H|Caloxydim|EC No.: 604-715-4|Equinox https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034252
ARPathway2016 ARPathway2016_1372 Terbacil 5902-51-2 DTXSID8024317 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(Cl)C(=O)N(C(=O)N1)C(C)(C)C Terbacil 5902-51-2|Terbacil|2, 4(1H, 3H) - Pyrimidinedione, 5- chloro- 3- (1, 1- dimethylethyl) - 6- methyl-|3-t-Butyl-5-chloro-6-methyl uracil|3-tert-Butyl-5-chloro-6-methyluracil|3-tert.Butyl-5-chlor-6-methyluracil|5-24-07-00036|5-Chloro-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione|5-Chloro-3-tert-butyl-6-methyluracil|BRN 0643054|Caswell No. 821A|Compound 732|Du Pont 732|Du Pont herbicide 732|EINECS 227-595-1|EPA Pesticide Chemical Code 012701|Experimental herbicide 732|Geonter|Sinbar|Terbacil 80WP|UNII-S0017J6E25|Uracil, 3-tert-butyl-5-chloro-6-methyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024317
ARPathway2016 ARPathway2016_1372 Terbacil 5902-51-2 DTXSID8024317 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(Cl)C(=O)N(C(=O)N1)C(C)(C)C Terbacil 5902-51-2|Terbacil|2, 4(1H, 3H) - Pyrimidinedione, 5- chloro- 3- (1, 1- dimethylethyl) - 6- methyl-|3-t-Butyl-5-chloro-6-methyl uracil|3-tert-Butyl-5-chloro-6-methyluracil|3-tert.Butyl-5-chlor-6-methyluracil|5-24-07-00036|5-Chloro-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione|5-Chloro-3-tert-butyl-6-methyluracil|BRN 0643054|Caswell No. 821A|Compound 732|Du Pont 732|Du Pont herbicide 732|EINECS 227-595-1|EPA Pesticide Chemical Code 012701|Experimental herbicide 732|Geonter|Sinbar|Terbacil 80WP|UNII-S0017J6E25|Uracil, 3-tert-butyl-5-chloro-6-methyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024317
ARPathway2016 ARPathway2016_1372 Terbacil 5902-51-2 DTXSID8024317 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(Cl)C(=O)N(C(=O)N1)C(C)(C)C Terbacil 5902-51-2|Terbacil|2, 4(1H, 3H) - Pyrimidinedione, 5- chloro- 3- (1, 1- dimethylethyl) - 6- methyl-|3-t-Butyl-5-chloro-6-methyl uracil|3-tert-Butyl-5-chloro-6-methyluracil|3-tert.Butyl-5-chlor-6-methyluracil|5-24-07-00036|5-Chloro-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione|5-Chloro-3-tert-butyl-6-methyluracil|BRN 0643054|Caswell No. 821A|Compound 732|Du Pont 732|Du Pont herbicide 732|EINECS 227-595-1|EPA Pesticide Chemical Code 012701|Experimental herbicide 732|Geonter|Sinbar|Terbacil 80WP|UNII-S0017J6E25|Uracil, 3-tert-butyl-5-chloro-6-methyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024317
ARPathway2016 ARPathway2016_1372 Terbacil 5902-51-2 DTXSID8024317 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(Cl)C(=O)N(C(=O)N1)C(C)(C)C Terbacil 5902-51-2|Terbacil|2, 4(1H, 3H) - Pyrimidinedione, 5- chloro- 3- (1, 1- dimethylethyl) - 6- methyl-|3-t-Butyl-5-chloro-6-methyl uracil|3-tert-Butyl-5-chloro-6-methyluracil|3-tert.Butyl-5-chlor-6-methyluracil|5-24-07-00036|5-Chloro-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione|5-Chloro-3-tert-butyl-6-methyluracil|BRN 0643054|Caswell No. 821A|Compound 732|Du Pont 732|Du Pont herbicide 732|EINECS 227-595-1|EPA Pesticide Chemical Code 012701|Experimental herbicide 732|Geonter|Sinbar|Terbacil 80WP|UNII-S0017J6E25|Uracil, 3-tert-butyl-5-chloro-6-methyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024317
ERPathway2016 ERPathway2016_785 Terbacil 5902-51-2 DTXSID8024317 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(Cl)C(=O)N(C(=O)N1)C(C)(C)C Terbacil 5902-51-2|Terbacil|2, 4(1H, 3H) - Pyrimidinedione, 5- chloro- 3- (1, 1- dimethylethyl) - 6- methyl-|3-t-Butyl-5-chloro-6-methyl uracil|3-tert-Butyl-5-chloro-6-methyluracil|3-tert.Butyl-5-chlor-6-methyluracil|5-24-07-00036|5-Chloro-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione|5-Chloro-3-tert-butyl-6-methyluracil|BRN 0643054|Caswell No. 821A|Compound 732|Du Pont 732|Du Pont herbicide 732|EINECS 227-595-1|EPA Pesticide Chemical Code 012701|Experimental herbicide 732|Geonter|Sinbar|Terbacil 80WP|UNII-S0017J6E25|Uracil, 3-tert-butyl-5-chloro-6-methyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024317
ERPathway2016 ERPathway2016_785 Terbacil 5902-51-2 DTXSID8024317 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(Cl)C(=O)N(C(=O)N1)C(C)(C)C Terbacil 5902-51-2|Terbacil|2, 4(1H, 3H) - Pyrimidinedione, 5- chloro- 3- (1, 1- dimethylethyl) - 6- methyl-|3-t-Butyl-5-chloro-6-methyl uracil|3-tert-Butyl-5-chloro-6-methyluracil|3-tert.Butyl-5-chlor-6-methyluracil|5-24-07-00036|5-Chloro-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione|5-Chloro-3-tert-butyl-6-methyluracil|BRN 0643054|Caswell No. 821A|Compound 732|Du Pont 732|Du Pont herbicide 732|EINECS 227-595-1|EPA Pesticide Chemical Code 012701|Experimental herbicide 732|Geonter|Sinbar|Terbacil 80WP|UNII-S0017J6E25|Uracil, 3-tert-butyl-5-chloro-6-methyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024317
ERPathway2016 ERPathway2016_785 Terbacil 5902-51-2 DTXSID8024317 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(Cl)C(=O)N(C(=O)N1)C(C)(C)C Terbacil 5902-51-2|Terbacil|2, 4(1H, 3H) - Pyrimidinedione, 5- chloro- 3- (1, 1- dimethylethyl) - 6- methyl-|3-t-Butyl-5-chloro-6-methyl uracil|3-tert-Butyl-5-chloro-6-methyluracil|3-tert.Butyl-5-chlor-6-methyluracil|5-24-07-00036|5-Chloro-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione|5-Chloro-3-tert-butyl-6-methyluracil|BRN 0643054|Caswell No. 821A|Compound 732|Du Pont 732|Du Pont herbicide 732|EINECS 227-595-1|EPA Pesticide Chemical Code 012701|Experimental herbicide 732|Geonter|Sinbar|Terbacil 80WP|UNII-S0017J6E25|Uracil, 3-tert-butyl-5-chloro-6-methyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024317
ERPathway2016 ERPathway2016_785 Terbacil 5902-51-2 DTXSID8024317 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(Cl)C(=O)N(C(=O)N1)C(C)(C)C Terbacil 5902-51-2|Terbacil|2, 4(1H, 3H) - Pyrimidinedione, 5- chloro- 3- (1, 1- dimethylethyl) - 6- methyl-|3-t-Butyl-5-chloro-6-methyl uracil|3-tert-Butyl-5-chloro-6-methyluracil|3-tert.Butyl-5-chlor-6-methyluracil|5-24-07-00036|5-Chloro-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione|5-Chloro-3-tert-butyl-6-methyluracil|BRN 0643054|Caswell No. 821A|Compound 732|Du Pont 732|Du Pont herbicide 732|EINECS 227-595-1|EPA Pesticide Chemical Code 012701|Experimental herbicide 732|Geonter|Sinbar|Terbacil 80WP|UNII-S0017J6E25|Uracil, 3-tert-butyl-5-chloro-6-methyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID8024317
ARPathway2016 ARPathway2016_773 Terbufos 13071-79-9 DTXSID2022254 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=S)(OCC)SCSC(C)(C)C Terbufos 13071-79-9|Terbufos|4-01-00-03092|BRN 1710115|Caswell No. 131A|Contraven|Counter|Counter 15G|Counter 15G soil insecticide|Counter 15G soil insecticide-nematicide|Cyanater|EINECS 235-963-8|EPA Pesticide Chemical Code 105001|O,O-diethyl S-(((1,1-dimethylethyl)thio)methyl)phoshorodithioate|O,O-Diethyl S-(tert-butylthio)methyl phosphorodithioate|O,O-Diethyl S-[[(1,1-dimethylethyl)thio]methyl] phosphorodithioate|Phosphorodithioic acid S-(((1,1-dimethylethyl)thio)methyl) O,O-diethyl ester|Phosphorodithioic acid S-((tert-butylthio)methyl) O,O-diethyl ester|Phosphorodithioic acid, S-[(tert-butylthio)methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl]O,O-diethyl ester|S-(((1,1-Dimethylethyl)thio)methyl) O,O-diethyl phosphorodithioate|S-(((1,1-Dimethylethyl)thio)methyl)-O,O-diethyl phosphorodithioate|S-((tert-Butylthio)methyl)O,O-diethylphosphorodithioate|S-[(tert-butylsulfanyl)methyl] O,O-diethyl dithiophosphate|S-[(tert-Butylt https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022254 https://doi.org/10.22427/NTP-DATA-DTXSID2022254
ARPathway2016 ARPathway2016_773 Terbufos 13071-79-9 DTXSID2022254 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)SCSC(C)(C)C Terbufos 13071-79-9|Terbufos|4-01-00-03092|BRN 1710115|Caswell No. 131A|Contraven|Counter|Counter 15G|Counter 15G soil insecticide|Counter 15G soil insecticide-nematicide|Cyanater|EINECS 235-963-8|EPA Pesticide Chemical Code 105001|O,O-diethyl S-(((1,1-dimethylethyl)thio)methyl)phoshorodithioate|O,O-Diethyl S-(tert-butylthio)methyl phosphorodithioate|O,O-Diethyl S-[[(1,1-dimethylethyl)thio]methyl] phosphorodithioate|Phosphorodithioic acid S-(((1,1-dimethylethyl)thio)methyl) O,O-diethyl ester|Phosphorodithioic acid S-((tert-butylthio)methyl) O,O-diethyl ester|Phosphorodithioic acid, S-[(tert-butylthio)methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl]O,O-diethyl ester|S-(((1,1-Dimethylethyl)thio)methyl) O,O-diethyl phosphorodithioate|S-(((1,1-Dimethylethyl)thio)methyl)-O,O-diethyl phosphorodithioate|S-((tert-Butylthio)methyl)O,O-diethylphosphorodithioate|S-[(tert-butylsulfanyl)methyl] O,O-diethyl dithiophosphate|S-[(tert-Butylt https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022254 https://doi.org/10.22427/NTP-DATA-DTXSID2022254
ARPathway2016 ARPathway2016_773 Terbufos 13071-79-9 DTXSID2022254 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)SCSC(C)(C)C Terbufos 13071-79-9|Terbufos|4-01-00-03092|BRN 1710115|Caswell No. 131A|Contraven|Counter|Counter 15G|Counter 15G soil insecticide|Counter 15G soil insecticide-nematicide|Cyanater|EINECS 235-963-8|EPA Pesticide Chemical Code 105001|O,O-diethyl S-(((1,1-dimethylethyl)thio)methyl)phoshorodithioate|O,O-Diethyl S-(tert-butylthio)methyl phosphorodithioate|O,O-Diethyl S-[[(1,1-dimethylethyl)thio]methyl] phosphorodithioate|Phosphorodithioic acid S-(((1,1-dimethylethyl)thio)methyl) O,O-diethyl ester|Phosphorodithioic acid S-((tert-butylthio)methyl) O,O-diethyl ester|Phosphorodithioic acid, S-[(tert-butylthio)methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl]O,O-diethyl ester|S-(((1,1-Dimethylethyl)thio)methyl) O,O-diethyl phosphorodithioate|S-(((1,1-Dimethylethyl)thio)methyl)-O,O-diethyl phosphorodithioate|S-((tert-Butylthio)methyl)O,O-diethylphosphorodithioate|S-[(tert-butylsulfanyl)methyl] O,O-diethyl dithiophosphate|S-[(tert-Butylt https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022254 https://doi.org/10.22427/NTP-DATA-DTXSID2022254
ARPathway2016 ARPathway2016_773 Terbufos 13071-79-9 DTXSID2022254 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=S)(OCC)SCSC(C)(C)C Terbufos 13071-79-9|Terbufos|4-01-00-03092|BRN 1710115|Caswell No. 131A|Contraven|Counter|Counter 15G|Counter 15G soil insecticide|Counter 15G soil insecticide-nematicide|Cyanater|EINECS 235-963-8|EPA Pesticide Chemical Code 105001|O,O-diethyl S-(((1,1-dimethylethyl)thio)methyl)phoshorodithioate|O,O-Diethyl S-(tert-butylthio)methyl phosphorodithioate|O,O-Diethyl S-[[(1,1-dimethylethyl)thio]methyl] phosphorodithioate|Phosphorodithioic acid S-(((1,1-dimethylethyl)thio)methyl) O,O-diethyl ester|Phosphorodithioic acid S-((tert-butylthio)methyl) O,O-diethyl ester|Phosphorodithioic acid, S-[(tert-butylthio)methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl]O,O-diethyl ester|S-(((1,1-Dimethylethyl)thio)methyl) O,O-diethyl phosphorodithioate|S-(((1,1-Dimethylethyl)thio)methyl)-O,O-diethyl phosphorodithioate|S-((tert-Butylthio)methyl)O,O-diethylphosphorodithioate|S-[(tert-butylsulfanyl)methyl] O,O-diethyl dithiophosphate|S-[(tert-Butylt https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022254 https://doi.org/10.22427/NTP-DATA-DTXSID2022254
ERPathway2016 ERPathway2016_280 Terbufos 13071-79-9 DTXSID2022254 ER Pathway Model, Antagonist AC50 26.2847393071574 uM CCOP(=S)(OCC)SCSC(C)(C)C Terbufos 13071-79-9|Terbufos|4-01-00-03092|BRN 1710115|Caswell No. 131A|Contraven|Counter|Counter 15G|Counter 15G soil insecticide|Counter 15G soil insecticide-nematicide|Cyanater|EINECS 235-963-8|EPA Pesticide Chemical Code 105001|O,O-diethyl S-(((1,1-dimethylethyl)thio)methyl)phoshorodithioate|O,O-Diethyl S-(tert-butylthio)methyl phosphorodithioate|O,O-Diethyl S-[[(1,1-dimethylethyl)thio]methyl] phosphorodithioate|Phosphorodithioic acid S-(((1,1-dimethylethyl)thio)methyl) O,O-diethyl ester|Phosphorodithioic acid S-((tert-butylthio)methyl) O,O-diethyl ester|Phosphorodithioic acid, S-[(tert-butylthio)methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl]O,O-diethyl ester|S-(((1,1-Dimethylethyl)thio)methyl) O,O-diethyl phosphorodithioate|S-(((1,1-Dimethylethyl)thio)methyl)-O,O-diethyl phosphorodithioate|S-((tert-Butylthio)methyl)O,O-diethylphosphorodithioate|S-[(tert-butylsulfanyl)methyl] O,O-diethyl dithiophosphate|S-[(tert-Butylt https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022254 https://doi.org/10.22427/NTP-DATA-DTXSID2022254
ERPathway2016 ERPathway2016_280 Terbufos 13071-79-9 DTXSID2022254 ER Pathway Model, Antagonist ACC 21.4032553655566 uM CCOP(=S)(OCC)SCSC(C)(C)C Terbufos 13071-79-9|Terbufos|4-01-00-03092|BRN 1710115|Caswell No. 131A|Contraven|Counter|Counter 15G|Counter 15G soil insecticide|Counter 15G soil insecticide-nematicide|Cyanater|EINECS 235-963-8|EPA Pesticide Chemical Code 105001|O,O-diethyl S-(((1,1-dimethylethyl)thio)methyl)phoshorodithioate|O,O-Diethyl S-(tert-butylthio)methyl phosphorodithioate|O,O-Diethyl S-[[(1,1-dimethylethyl)thio]methyl] phosphorodithioate|Phosphorodithioic acid S-(((1,1-dimethylethyl)thio)methyl) O,O-diethyl ester|Phosphorodithioic acid S-((tert-butylthio)methyl) O,O-diethyl ester|Phosphorodithioic acid, S-[(tert-butylthio)methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl]O,O-diethyl ester|S-(((1,1-Dimethylethyl)thio)methyl) O,O-diethyl phosphorodithioate|S-(((1,1-Dimethylethyl)thio)methyl)-O,O-diethyl phosphorodithioate|S-((tert-Butylthio)methyl)O,O-diethylphosphorodithioate|S-[(tert-butylsulfanyl)methyl] O,O-diethyl dithiophosphate|S-[(tert-Butylt https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022254 https://doi.org/10.22427/NTP-DATA-DTXSID2022254
ERPathway2016 ERPathway2016_280 Terbufos 13071-79-9 DTXSID2022254 ER Pathway Model, Agonist Model Score 0.0482 Unitless CCOP(=S)(OCC)SCSC(C)(C)C Terbufos 13071-79-9|Terbufos|4-01-00-03092|BRN 1710115|Caswell No. 131A|Contraven|Counter|Counter 15G|Counter 15G soil insecticide|Counter 15G soil insecticide-nematicide|Cyanater|EINECS 235-963-8|EPA Pesticide Chemical Code 105001|O,O-diethyl S-(((1,1-dimethylethyl)thio)methyl)phoshorodithioate|O,O-Diethyl S-(tert-butylthio)methyl phosphorodithioate|O,O-Diethyl S-[[(1,1-dimethylethyl)thio]methyl] phosphorodithioate|Phosphorodithioic acid S-(((1,1-dimethylethyl)thio)methyl) O,O-diethyl ester|Phosphorodithioic acid S-((tert-butylthio)methyl) O,O-diethyl ester|Phosphorodithioic acid, S-[(tert-butylthio)methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl]O,O-diethyl ester|S-(((1,1-Dimethylethyl)thio)methyl) O,O-diethyl phosphorodithioate|S-(((1,1-Dimethylethyl)thio)methyl)-O,O-diethyl phosphorodithioate|S-((tert-Butylthio)methyl)O,O-diethylphosphorodithioate|S-[(tert-butylsulfanyl)methyl] O,O-diethyl dithiophosphate|S-[(tert-Butylt https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022254 https://doi.org/10.22427/NTP-DATA-DTXSID2022254
ERPathway2016 ERPathway2016_280 Terbufos 13071-79-9 DTXSID2022254 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=S)(OCC)SCSC(C)(C)C Terbufos 13071-79-9|Terbufos|4-01-00-03092|BRN 1710115|Caswell No. 131A|Contraven|Counter|Counter 15G|Counter 15G soil insecticide|Counter 15G soil insecticide-nematicide|Cyanater|EINECS 235-963-8|EPA Pesticide Chemical Code 105001|O,O-diethyl S-(((1,1-dimethylethyl)thio)methyl)phoshorodithioate|O,O-Diethyl S-(tert-butylthio)methyl phosphorodithioate|O,O-Diethyl S-[[(1,1-dimethylethyl)thio]methyl] phosphorodithioate|Phosphorodithioic acid S-(((1,1-dimethylethyl)thio)methyl) O,O-diethyl ester|Phosphorodithioic acid S-((tert-butylthio)methyl) O,O-diethyl ester|Phosphorodithioic acid, S-[(tert-butylthio)methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl]O,O-diethyl ester|S-(((1,1-Dimethylethyl)thio)methyl) O,O-diethyl phosphorodithioate|S-(((1,1-Dimethylethyl)thio)methyl)-O,O-diethyl phosphorodithioate|S-((tert-Butylthio)methyl)O,O-diethylphosphorodithioate|S-[(tert-butylsulfanyl)methyl] O,O-diethyl dithiophosphate|S-[(tert-Butylt https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022254 https://doi.org/10.22427/NTP-DATA-DTXSID2022254
ERPathway2016 ERPathway2016_280 Terbufos 13071-79-9 DTXSID2022254 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=S)(OCC)SCSC(C)(C)C Terbufos 13071-79-9|Terbufos|4-01-00-03092|BRN 1710115|Caswell No. 131A|Contraven|Counter|Counter 15G|Counter 15G soil insecticide|Counter 15G soil insecticide-nematicide|Cyanater|EINECS 235-963-8|EPA Pesticide Chemical Code 105001|O,O-diethyl S-(((1,1-dimethylethyl)thio)methyl)phoshorodithioate|O,O-Diethyl S-(tert-butylthio)methyl phosphorodithioate|O,O-Diethyl S-[[(1,1-dimethylethyl)thio]methyl] phosphorodithioate|Phosphorodithioic acid S-(((1,1-dimethylethyl)thio)methyl) O,O-diethyl ester|Phosphorodithioic acid S-((tert-butylthio)methyl) O,O-diethyl ester|Phosphorodithioic acid, S-[(tert-butylthio)methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl]O,O-diethyl ester|S-(((1,1-Dimethylethyl)thio)methyl) O,O-diethyl phosphorodithioate|S-(((1,1-Dimethylethyl)thio)methyl)-O,O-diethyl phosphorodithioate|S-((tert-Butylthio)methyl)O,O-diethylphosphorodithioate|S-[(tert-butylsulfanyl)methyl] O,O-diethyl dithiophosphate|S-[(tert-Butylt https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022254 https://doi.org/10.22427/NTP-DATA-DTXSID2022254
ERPathway2016 ERPathway2016_280 Terbufos 13071-79-9 DTXSID2022254 ER Pathway Model, Antagonist Call Active Unitless CCOP(=S)(OCC)SCSC(C)(C)C Terbufos 13071-79-9|Terbufos|4-01-00-03092|BRN 1710115|Caswell No. 131A|Contraven|Counter|Counter 15G|Counter 15G soil insecticide|Counter 15G soil insecticide-nematicide|Cyanater|EINECS 235-963-8|EPA Pesticide Chemical Code 105001|O,O-diethyl S-(((1,1-dimethylethyl)thio)methyl)phoshorodithioate|O,O-Diethyl S-(tert-butylthio)methyl phosphorodithioate|O,O-Diethyl S-[[(1,1-dimethylethyl)thio]methyl] phosphorodithioate|Phosphorodithioic acid S-(((1,1-dimethylethyl)thio)methyl) O,O-diethyl ester|Phosphorodithioic acid S-((tert-butylthio)methyl) O,O-diethyl ester|Phosphorodithioic acid, S-[(tert-butylthio)methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl] O,O-diethyl ester|Phosphorodithioic acid, S-[[(1,1-dimethylethyl)thio]methyl]O,O-diethyl ester|S-(((1,1-Dimethylethyl)thio)methyl) O,O-diethyl phosphorodithioate|S-(((1,1-Dimethylethyl)thio)methyl)-O,O-diethyl phosphorodithioate|S-((tert-Butylthio)methyl)O,O-diethylphosphorodithioate|S-[(tert-butylsulfanyl)methyl] O,O-diethyl dithiophosphate|S-[(tert-Butylt https://comptox.epa.gov/dashboard/chemical/details/DTXSID2022254 https://doi.org/10.22427/NTP-DATA-DTXSID2022254
ARPathway2016 ARPathway2016_1374 Terbutylazine 5915-41-3 DTXSID4027608 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCNC1=NC(NC(C)(C)C)=NC(Cl)=N1 Terbutylazine 5915-41-3|Terbutylazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,1-dimethylethyl)-N4-ethyl-|2-Chloro-4-(ethylamino)-6-(tert-butylamino)-s-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-1,3,5-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-s-triazine|2-Chloro-4-tert-butylamino-6-ethylamino-s-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-1,3,5-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-s-triazine|2-tert.Butylamino-4-aethylamino-6-chlor-1,3,5-triazin|4-Ethylamino-6-tert-butylamino-2-chloro-S-triazine|6-Chloro-N-(1,1-dimethylethyl)-N'-ethyl-1,3,5-triazine-2,4-diamine|Caswell No. 125B|ChlorCaragard|EINECS 227-637-9|EPA Pesticide Chemical Code 080814|Gardeprim A 1862|Gardoprim|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diamine|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diyldiamine|Primatol M|Primatol-M80|s-Triazine, 2-(tert-butylamino)-4-chloro-6-(ethylamino)-|Sorgoprim|Terbutazine|Terbuthylazin|Terbuthylazine|terbutilazina|Terbutylazine|Terbutylethylazine|TERT-BUTYLAZINE|TERTBUTYLAZINE|TRIAZINE (1,3,5)-2,4-D|63026-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027608
ARPathway2016 ARPathway2016_1374 Terbutylazine 5915-41-3 DTXSID4027608 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCNC1=NC(NC(C)(C)C)=NC(Cl)=N1 Terbutylazine 5915-41-3|Terbutylazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,1-dimethylethyl)-N4-ethyl-|2-Chloro-4-(ethylamino)-6-(tert-butylamino)-s-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-1,3,5-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-s-triazine|2-Chloro-4-tert-butylamino-6-ethylamino-s-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-1,3,5-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-s-triazine|2-tert.Butylamino-4-aethylamino-6-chlor-1,3,5-triazin|4-Ethylamino-6-tert-butylamino-2-chloro-S-triazine|6-Chloro-N-(1,1-dimethylethyl)-N'-ethyl-1,3,5-triazine-2,4-diamine|Caswell No. 125B|ChlorCaragard|EINECS 227-637-9|EPA Pesticide Chemical Code 080814|Gardeprim A 1862|Gardoprim|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diamine|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diyldiamine|Primatol M|Primatol-M80|s-Triazine, 2-(tert-butylamino)-4-chloro-6-(ethylamino)-|Sorgoprim|Terbutazine|Terbuthylazin|Terbuthylazine|terbutilazina|Terbutylazine|Terbutylethylazine|TERT-BUTYLAZINE|TERTBUTYLAZINE|TRIAZINE (1,3,5)-2,4-D|63026-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027608
ARPathway2016 ARPathway2016_1374 Terbutylazine 5915-41-3 DTXSID4027608 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCNC1=NC(NC(C)(C)C)=NC(Cl)=N1 Terbutylazine 5915-41-3|Terbutylazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,1-dimethylethyl)-N4-ethyl-|2-Chloro-4-(ethylamino)-6-(tert-butylamino)-s-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-1,3,5-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-s-triazine|2-Chloro-4-tert-butylamino-6-ethylamino-s-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-1,3,5-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-s-triazine|2-tert.Butylamino-4-aethylamino-6-chlor-1,3,5-triazin|4-Ethylamino-6-tert-butylamino-2-chloro-S-triazine|6-Chloro-N-(1,1-dimethylethyl)-N'-ethyl-1,3,5-triazine-2,4-diamine|Caswell No. 125B|ChlorCaragard|EINECS 227-637-9|EPA Pesticide Chemical Code 080814|Gardeprim A 1862|Gardoprim|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diamine|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diyldiamine|Primatol M|Primatol-M80|s-Triazine, 2-(tert-butylamino)-4-chloro-6-(ethylamino)-|Sorgoprim|Terbutazine|Terbuthylazin|Terbuthylazine|terbutilazina|Terbutylazine|Terbutylethylazine|TERT-BUTYLAZINE|TERTBUTYLAZINE|TRIAZINE (1,3,5)-2,4-D|63026-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027608
ARPathway2016 ARPathway2016_1374 Terbutylazine 5915-41-3 DTXSID4027608 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCNC1=NC(NC(C)(C)C)=NC(Cl)=N1 Terbutylazine 5915-41-3|Terbutylazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,1-dimethylethyl)-N4-ethyl-|2-Chloro-4-(ethylamino)-6-(tert-butylamino)-s-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-1,3,5-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-s-triazine|2-Chloro-4-tert-butylamino-6-ethylamino-s-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-1,3,5-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-s-triazine|2-tert.Butylamino-4-aethylamino-6-chlor-1,3,5-triazin|4-Ethylamino-6-tert-butylamino-2-chloro-S-triazine|6-Chloro-N-(1,1-dimethylethyl)-N'-ethyl-1,3,5-triazine-2,4-diamine|Caswell No. 125B|ChlorCaragard|EINECS 227-637-9|EPA Pesticide Chemical Code 080814|Gardeprim A 1862|Gardoprim|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diamine|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diyldiamine|Primatol M|Primatol-M80|s-Triazine, 2-(tert-butylamino)-4-chloro-6-(ethylamino)-|Sorgoprim|Terbutazine|Terbuthylazin|Terbuthylazine|terbutilazina|Terbutylazine|Terbutylethylazine|TERT-BUTYLAZINE|TERTBUTYLAZINE|TRIAZINE (1,3,5)-2,4-D|63026-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027608
ERPathway2016 ERPathway2016_270 Terbutylazine 5915-41-3 DTXSID4027608 ER Pathway Model, Antagonist AC50 5.27167104252781 uM CCNC1=NC(NC(C)(C)C)=NC(Cl)=N1 Terbutylazine 5915-41-3|Terbutylazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,1-dimethylethyl)-N4-ethyl-|2-Chloro-4-(ethylamino)-6-(tert-butylamino)-s-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-1,3,5-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-s-triazine|2-Chloro-4-tert-butylamino-6-ethylamino-s-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-1,3,5-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-s-triazine|2-tert.Butylamino-4-aethylamino-6-chlor-1,3,5-triazin|4-Ethylamino-6-tert-butylamino-2-chloro-S-triazine|6-Chloro-N-(1,1-dimethylethyl)-N'-ethyl-1,3,5-triazine-2,4-diamine|Caswell No. 125B|ChlorCaragard|EINECS 227-637-9|EPA Pesticide Chemical Code 080814|Gardeprim A 1862|Gardoprim|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diamine|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diyldiamine|Primatol M|Primatol-M80|s-Triazine, 2-(tert-butylamino)-4-chloro-6-(ethylamino)-|Sorgoprim|Terbutazine|Terbuthylazin|Terbuthylazine|terbutilazina|Terbutylazine|Terbutylethylazine|TERT-BUTYLAZINE|TERTBUTYLAZINE|TRIAZINE (1,3,5)-2,4-D|63026-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027608
ERPathway2016 ERPathway2016_270 Terbutylazine 5915-41-3 DTXSID4027608 ER Pathway Model, Antagonist ACC 7.28381577215359 uM CCNC1=NC(NC(C)(C)C)=NC(Cl)=N1 Terbutylazine 5915-41-3|Terbutylazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,1-dimethylethyl)-N4-ethyl-|2-Chloro-4-(ethylamino)-6-(tert-butylamino)-s-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-1,3,5-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-s-triazine|2-Chloro-4-tert-butylamino-6-ethylamino-s-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-1,3,5-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-s-triazine|2-tert.Butylamino-4-aethylamino-6-chlor-1,3,5-triazin|4-Ethylamino-6-tert-butylamino-2-chloro-S-triazine|6-Chloro-N-(1,1-dimethylethyl)-N'-ethyl-1,3,5-triazine-2,4-diamine|Caswell No. 125B|ChlorCaragard|EINECS 227-637-9|EPA Pesticide Chemical Code 080814|Gardeprim A 1862|Gardoprim|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diamine|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diyldiamine|Primatol M|Primatol-M80|s-Triazine, 2-(tert-butylamino)-4-chloro-6-(ethylamino)-|Sorgoprim|Terbutazine|Terbuthylazin|Terbuthylazine|terbutilazina|Terbutylazine|Terbutylethylazine|TERT-BUTYLAZINE|TERTBUTYLAZINE|TRIAZINE (1,3,5)-2,4-D|63026-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027608
ERPathway2016 ERPathway2016_270 Terbutylazine 5915-41-3 DTXSID4027608 ER Pathway Model, Agonist Model Score 0.057 Unitless CCNC1=NC(NC(C)(C)C)=NC(Cl)=N1 Terbutylazine 5915-41-3|Terbutylazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,1-dimethylethyl)-N4-ethyl-|2-Chloro-4-(ethylamino)-6-(tert-butylamino)-s-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-1,3,5-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-s-triazine|2-Chloro-4-tert-butylamino-6-ethylamino-s-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-1,3,5-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-s-triazine|2-tert.Butylamino-4-aethylamino-6-chlor-1,3,5-triazin|4-Ethylamino-6-tert-butylamino-2-chloro-S-triazine|6-Chloro-N-(1,1-dimethylethyl)-N'-ethyl-1,3,5-triazine-2,4-diamine|Caswell No. 125B|ChlorCaragard|EINECS 227-637-9|EPA Pesticide Chemical Code 080814|Gardeprim A 1862|Gardoprim|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diamine|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diyldiamine|Primatol M|Primatol-M80|s-Triazine, 2-(tert-butylamino)-4-chloro-6-(ethylamino)-|Sorgoprim|Terbutazine|Terbuthylazin|Terbuthylazine|terbutilazina|Terbutylazine|Terbutylethylazine|TERT-BUTYLAZINE|TERTBUTYLAZINE|TRIAZINE (1,3,5)-2,4-D|63026-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027608
ERPathway2016 ERPathway2016_270 Terbutylazine 5915-41-3 DTXSID4027608 ER Pathway Model, Antagonist Model Score 0 Unitless CCNC1=NC(NC(C)(C)C)=NC(Cl)=N1 Terbutylazine 5915-41-3|Terbutylazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,1-dimethylethyl)-N4-ethyl-|2-Chloro-4-(ethylamino)-6-(tert-butylamino)-s-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-1,3,5-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-s-triazine|2-Chloro-4-tert-butylamino-6-ethylamino-s-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-1,3,5-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-s-triazine|2-tert.Butylamino-4-aethylamino-6-chlor-1,3,5-triazin|4-Ethylamino-6-tert-butylamino-2-chloro-S-triazine|6-Chloro-N-(1,1-dimethylethyl)-N'-ethyl-1,3,5-triazine-2,4-diamine|Caswell No. 125B|ChlorCaragard|EINECS 227-637-9|EPA Pesticide Chemical Code 080814|Gardeprim A 1862|Gardoprim|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diamine|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diyldiamine|Primatol M|Primatol-M80|s-Triazine, 2-(tert-butylamino)-4-chloro-6-(ethylamino)-|Sorgoprim|Terbutazine|Terbuthylazin|Terbuthylazine|terbutilazina|Terbutylazine|Terbutylethylazine|TERT-BUTYLAZINE|TERTBUTYLAZINE|TRIAZINE (1,3,5)-2,4-D|63026-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027608
ERPathway2016 ERPathway2016_270 Terbutylazine 5915-41-3 DTXSID4027608 ER Pathway Model, Agonist Call Inactive Unitless CCNC1=NC(NC(C)(C)C)=NC(Cl)=N1 Terbutylazine 5915-41-3|Terbutylazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,1-dimethylethyl)-N4-ethyl-|2-Chloro-4-(ethylamino)-6-(tert-butylamino)-s-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-1,3,5-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-s-triazine|2-Chloro-4-tert-butylamino-6-ethylamino-s-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-1,3,5-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-s-triazine|2-tert.Butylamino-4-aethylamino-6-chlor-1,3,5-triazin|4-Ethylamino-6-tert-butylamino-2-chloro-S-triazine|6-Chloro-N-(1,1-dimethylethyl)-N'-ethyl-1,3,5-triazine-2,4-diamine|Caswell No. 125B|ChlorCaragard|EINECS 227-637-9|EPA Pesticide Chemical Code 080814|Gardeprim A 1862|Gardoprim|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diamine|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diyldiamine|Primatol M|Primatol-M80|s-Triazine, 2-(tert-butylamino)-4-chloro-6-(ethylamino)-|Sorgoprim|Terbutazine|Terbuthylazin|Terbuthylazine|terbutilazina|Terbutylazine|Terbutylethylazine|TERT-BUTYLAZINE|TERTBUTYLAZINE|TRIAZINE (1,3,5)-2,4-D|63026-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027608
ERPathway2016 ERPathway2016_270 Terbutylazine 5915-41-3 DTXSID4027608 ER Pathway Model, Antagonist Call Active Unitless CCNC1=NC(NC(C)(C)C)=NC(Cl)=N1 Terbutylazine 5915-41-3|Terbutylazine|1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,1-dimethylethyl)-N4-ethyl-|2-Chloro-4-(ethylamino)-6-(tert-butylamino)-s-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-1,3,5-triazine|2-Chloro-4-ethylamino-6-tert-butylamino-s-triazine|2-Chloro-4-tert-butylamino-6-ethylamino-s-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-1,3,5-triazine|2-tert-Butylamino-4-chloro-6-ethylamino-s-triazine|2-tert.Butylamino-4-aethylamino-6-chlor-1,3,5-triazin|4-Ethylamino-6-tert-butylamino-2-chloro-S-triazine|6-Chloro-N-(1,1-dimethylethyl)-N'-ethyl-1,3,5-triazine-2,4-diamine|Caswell No. 125B|ChlorCaragard|EINECS 227-637-9|EPA Pesticide Chemical Code 080814|Gardeprim A 1862|Gardoprim|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diamine|N2-tert-Butyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diyldiamine|Primatol M|Primatol-M80|s-Triazine, 2-(tert-butylamino)-4-chloro-6-(ethylamino)-|Sorgoprim|Terbutazine|Terbuthylazin|Terbuthylazine|terbutilazina|Terbutylazine|Terbutylethylazine|TERT-BUTYLAZINE|TERTBUTYLAZINE|TRIAZINE (1,3,5)-2,4-D|63026-57-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027608
ARPathway2016 ARPathway2016_394 Terephthalic acid 100-21-0 DTXSID6026080 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC=C(C=C1)C(O)=O Terephthalic acid 100-21-0|Terephthalic acid|1,4-Benzenedicarboxylic acid|1,4-BENZENEDICARBOXYLIC ACID, PARA-PHTHALIC ACID|1,4-Dicarboxybenzene|4-09-00-03301|4-Carboxybenzoic acid|Acide terephtalique|acido tereftalico|Amoco TA 33|Benzene-p-dicarboxylate|Benzene-p-dicarboxylic acid|BRN 1909333|EINECS 202-830-0|Kyselina tereftalova|Kyselina terftalova|NSC 36973|p-Benzenedicarboxylate|p-Benzenedicarboxylic acid|p-Carboxybenzoic acid|p-Dicarboxybenzene|p-Phthalate|p-Phthalic acid|P-Phthelate|P-Phthelic acid|para-benzenedicarboxylic acid|para-Phthalic acid|PURIFIED TEREPHTHALIC ACID|Tephthol|TEREPHTHALSAEURE|Terephthalsaure|TPA|UNII-6S7NKZ40BQ|211863-90-0|211863-92-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026080 https://doi.org/10.22427/NTP-DATA-DTXSID6026080
ARPathway2016 ARPathway2016_394 Terephthalic acid 100-21-0 DTXSID6026080 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC=C(C=C1)C(O)=O Terephthalic acid 100-21-0|Terephthalic acid|1,4-Benzenedicarboxylic acid|1,4-BENZENEDICARBOXYLIC ACID, PARA-PHTHALIC ACID|1,4-Dicarboxybenzene|4-09-00-03301|4-Carboxybenzoic acid|Acide terephtalique|acido tereftalico|Amoco TA 33|Benzene-p-dicarboxylate|Benzene-p-dicarboxylic acid|BRN 1909333|EINECS 202-830-0|Kyselina tereftalova|Kyselina terftalova|NSC 36973|p-Benzenedicarboxylate|p-Benzenedicarboxylic acid|p-Carboxybenzoic acid|p-Dicarboxybenzene|p-Phthalate|p-Phthalic acid|P-Phthelate|P-Phthelic acid|para-benzenedicarboxylic acid|para-Phthalic acid|PURIFIED TEREPHTHALIC ACID|Tephthol|TEREPHTHALSAEURE|Terephthalsaure|TPA|UNII-6S7NKZ40BQ|211863-90-0|211863-92-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026080 https://doi.org/10.22427/NTP-DATA-DTXSID6026080
ARPathway2016 ARPathway2016_394 Terephthalic acid 100-21-0 DTXSID6026080 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC=C(C=C1)C(O)=O Terephthalic acid 100-21-0|Terephthalic acid|1,4-Benzenedicarboxylic acid|1,4-BENZENEDICARBOXYLIC ACID, PARA-PHTHALIC ACID|1,4-Dicarboxybenzene|4-09-00-03301|4-Carboxybenzoic acid|Acide terephtalique|acido tereftalico|Amoco TA 33|Benzene-p-dicarboxylate|Benzene-p-dicarboxylic acid|BRN 1909333|EINECS 202-830-0|Kyselina tereftalova|Kyselina terftalova|NSC 36973|p-Benzenedicarboxylate|p-Benzenedicarboxylic acid|p-Carboxybenzoic acid|p-Dicarboxybenzene|p-Phthalate|p-Phthalic acid|P-Phthelate|P-Phthelic acid|para-benzenedicarboxylic acid|para-Phthalic acid|PURIFIED TEREPHTHALIC ACID|Tephthol|TEREPHTHALSAEURE|Terephthalsaure|TPA|UNII-6S7NKZ40BQ|211863-90-0|211863-92-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026080 https://doi.org/10.22427/NTP-DATA-DTXSID6026080
ARPathway2016 ARPathway2016_394 Terephthalic acid 100-21-0 DTXSID6026080 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC=C(C=C1)C(O)=O Terephthalic acid 100-21-0|Terephthalic acid|1,4-Benzenedicarboxylic acid|1,4-BENZENEDICARBOXYLIC ACID, PARA-PHTHALIC ACID|1,4-Dicarboxybenzene|4-09-00-03301|4-Carboxybenzoic acid|Acide terephtalique|acido tereftalico|Amoco TA 33|Benzene-p-dicarboxylate|Benzene-p-dicarboxylic acid|BRN 1909333|EINECS 202-830-0|Kyselina tereftalova|Kyselina terftalova|NSC 36973|p-Benzenedicarboxylate|p-Benzenedicarboxylic acid|p-Carboxybenzoic acid|p-Dicarboxybenzene|p-Phthalate|p-Phthalic acid|P-Phthelate|P-Phthelic acid|para-benzenedicarboxylic acid|para-Phthalic acid|PURIFIED TEREPHTHALIC ACID|Tephthol|TEREPHTHALSAEURE|Terephthalsaure|TPA|UNII-6S7NKZ40BQ|211863-90-0|211863-92-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026080 https://doi.org/10.22427/NTP-DATA-DTXSID6026080
ERPathway2016 ERPathway2016_850 Terephthalic acid 100-21-0 DTXSID6026080 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC=C(C=C1)C(O)=O Terephthalic acid 100-21-0|Terephthalic acid|1,4-Benzenedicarboxylic acid|1,4-BENZENEDICARBOXYLIC ACID, PARA-PHTHALIC ACID|1,4-Dicarboxybenzene|4-09-00-03301|4-Carboxybenzoic acid|Acide terephtalique|acido tereftalico|Amoco TA 33|Benzene-p-dicarboxylate|Benzene-p-dicarboxylic acid|BRN 1909333|EINECS 202-830-0|Kyselina tereftalova|Kyselina terftalova|NSC 36973|p-Benzenedicarboxylate|p-Benzenedicarboxylic acid|p-Carboxybenzoic acid|p-Dicarboxybenzene|p-Phthalate|p-Phthalic acid|P-Phthelate|P-Phthelic acid|para-benzenedicarboxylic acid|para-Phthalic acid|PURIFIED TEREPHTHALIC ACID|Tephthol|TEREPHTHALSAEURE|Terephthalsaure|TPA|UNII-6S7NKZ40BQ|211863-90-0|211863-92-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026080 https://doi.org/10.22427/NTP-DATA-DTXSID6026080
ERPathway2016 ERPathway2016_850 Terephthalic acid 100-21-0 DTXSID6026080 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC=C(C=C1)C(O)=O Terephthalic acid 100-21-0|Terephthalic acid|1,4-Benzenedicarboxylic acid|1,4-BENZENEDICARBOXYLIC ACID, PARA-PHTHALIC ACID|1,4-Dicarboxybenzene|4-09-00-03301|4-Carboxybenzoic acid|Acide terephtalique|acido tereftalico|Amoco TA 33|Benzene-p-dicarboxylate|Benzene-p-dicarboxylic acid|BRN 1909333|EINECS 202-830-0|Kyselina tereftalova|Kyselina terftalova|NSC 36973|p-Benzenedicarboxylate|p-Benzenedicarboxylic acid|p-Carboxybenzoic acid|p-Dicarboxybenzene|p-Phthalate|p-Phthalic acid|P-Phthelate|P-Phthelic acid|para-benzenedicarboxylic acid|para-Phthalic acid|PURIFIED TEREPHTHALIC ACID|Tephthol|TEREPHTHALSAEURE|Terephthalsaure|TPA|UNII-6S7NKZ40BQ|211863-90-0|211863-92-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026080 https://doi.org/10.22427/NTP-DATA-DTXSID6026080
ERPathway2016 ERPathway2016_850 Terephthalic acid 100-21-0 DTXSID6026080 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC=C(C=C1)C(O)=O Terephthalic acid 100-21-0|Terephthalic acid|1,4-Benzenedicarboxylic acid|1,4-BENZENEDICARBOXYLIC ACID, PARA-PHTHALIC ACID|1,4-Dicarboxybenzene|4-09-00-03301|4-Carboxybenzoic acid|Acide terephtalique|acido tereftalico|Amoco TA 33|Benzene-p-dicarboxylate|Benzene-p-dicarboxylic acid|BRN 1909333|EINECS 202-830-0|Kyselina tereftalova|Kyselina terftalova|NSC 36973|p-Benzenedicarboxylate|p-Benzenedicarboxylic acid|p-Carboxybenzoic acid|p-Dicarboxybenzene|p-Phthalate|p-Phthalic acid|P-Phthelate|P-Phthelic acid|para-benzenedicarboxylic acid|para-Phthalic acid|PURIFIED TEREPHTHALIC ACID|Tephthol|TEREPHTHALSAEURE|Terephthalsaure|TPA|UNII-6S7NKZ40BQ|211863-90-0|211863-92-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026080 https://doi.org/10.22427/NTP-DATA-DTXSID6026080
ERPathway2016 ERPathway2016_850 Terephthalic acid 100-21-0 DTXSID6026080 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC=C(C=C1)C(O)=O Terephthalic acid 100-21-0|Terephthalic acid|1,4-Benzenedicarboxylic acid|1,4-BENZENEDICARBOXYLIC ACID, PARA-PHTHALIC ACID|1,4-Dicarboxybenzene|4-09-00-03301|4-Carboxybenzoic acid|Acide terephtalique|acido tereftalico|Amoco TA 33|Benzene-p-dicarboxylate|Benzene-p-dicarboxylic acid|BRN 1909333|EINECS 202-830-0|Kyselina tereftalova|Kyselina terftalova|NSC 36973|p-Benzenedicarboxylate|p-Benzenedicarboxylic acid|p-Carboxybenzoic acid|p-Dicarboxybenzene|p-Phthalate|p-Phthalic acid|P-Phthelate|P-Phthelic acid|para-benzenedicarboxylic acid|para-Phthalic acid|PURIFIED TEREPHTHALIC ACID|Tephthol|TEREPHTHALSAEURE|Terephthalsaure|TPA|UNII-6S7NKZ40BQ|211863-90-0|211863-92-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6026080 https://doi.org/10.22427/NTP-DATA-DTXSID6026080
ARPathway2016 ARPathway2016_1594 Terpineol 8000-41-7 DTXSID8040775 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Terpineol 8000-41-7|Terpineol|Caswell No. 823|EINECS 232-268-1|EPA Pesticide Chemical Code 067005|Terpineol 318|UNII-R53Q4ZWC99|11103-96-1|37195-01-0|8031-32-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040775
ARPathway2016 ARPathway2016_1594 Terpineol 8000-41-7 DTXSID8040775 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Terpineol 8000-41-7|Terpineol|Caswell No. 823|EINECS 232-268-1|EPA Pesticide Chemical Code 067005|Terpineol 318|UNII-R53Q4ZWC99|11103-96-1|37195-01-0|8031-32-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040775
ARPathway2016 ARPathway2016_1594 Terpineol 8000-41-7 DTXSID8040775 0.0 AR Pathway Model, Agonist Call Inactive Unitless Terpineol 8000-41-7|Terpineol|Caswell No. 823|EINECS 232-268-1|EPA Pesticide Chemical Code 067005|Terpineol 318|UNII-R53Q4ZWC99|11103-96-1|37195-01-0|8031-32-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040775
ARPathway2016 ARPathway2016_1594 Terpineol 8000-41-7 DTXSID8040775 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Terpineol 8000-41-7|Terpineol|Caswell No. 823|EINECS 232-268-1|EPA Pesticide Chemical Code 067005|Terpineol 318|UNII-R53Q4ZWC99|11103-96-1|37195-01-0|8031-32-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040775
ERPathway2016 ERPathway2016_1678 Terpineol 8000-41-7 DTXSID8040775 ER Pathway Model, Agonist Model Score 0 Unitless Terpineol 8000-41-7|Terpineol|Caswell No. 823|EINECS 232-268-1|EPA Pesticide Chemical Code 067005|Terpineol 318|UNII-R53Q4ZWC99|11103-96-1|37195-01-0|8031-32-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040775
ERPathway2016 ERPathway2016_1678 Terpineol 8000-41-7 DTXSID8040775 ER Pathway Model, Antagonist Model Score 0 Unitless Terpineol 8000-41-7|Terpineol|Caswell No. 823|EINECS 232-268-1|EPA Pesticide Chemical Code 067005|Terpineol 318|UNII-R53Q4ZWC99|11103-96-1|37195-01-0|8031-32-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040775
ERPathway2016 ERPathway2016_1678 Terpineol 8000-41-7 DTXSID8040775 ER Pathway Model, Agonist Call Inactive Unitless Terpineol 8000-41-7|Terpineol|Caswell No. 823|EINECS 232-268-1|EPA Pesticide Chemical Code 067005|Terpineol 318|UNII-R53Q4ZWC99|11103-96-1|37195-01-0|8031-32-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040775
ERPathway2016 ERPathway2016_1678 Terpineol 8000-41-7 DTXSID8040775 ER Pathway Model, Antagonist Call Inactive Unitless Terpineol 8000-41-7|Terpineol|Caswell No. 823|EINECS 232-268-1|EPA Pesticide Chemical Code 067005|Terpineol 318|UNII-R53Q4ZWC99|11103-96-1|37195-01-0|8031-32-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040775
ARPathway2016 ARPathway2016_1363 Terpinolene 586-62-9 DTXSID0027222 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)=C1CCC(C)=CC1 Terpinolene 586-62-9|Terpinolene|1-methyl-4-(1-methylethylidene)-1-cyclohexene|1-Methyl-4-(1-methylethylidene)-Cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene, 9CI|1-methyl-4-(propan-2-ylidene)cyclohex-1-ene|1-Methyl-4-(propan-2-ylidene)cyclohexene|1-Methyl-4-isopropylidene-1-cyclohexene|1-methyl-4-propan-2-ylidene-cyclohexene|1-methyl-4-propan-2-ylidenecyclohexene|1,4-Terpinolene|1,4(8)-p-menthadiene|1,4(8)-Terpadiene|4-isopropylidene-1-methyl-cyclohexene|4-Isopropylidene-1-methylcyclohexene|4-Isopropylidene-1-methylcyclohexene-1|alpha -Terpinolene|alpha-terpinolene|Cyclohexene, 1-methyl-4-(1-methylethylidene)-|Cyclohexene, 3-methyl-6-(1-methylethylidene)- (9CI)|EINECS 209-578-0|FEMA 3046|FEMA No. 3046|FEMA Number 3046|Isoterpinene|Nofmer TP|p-menta-1,4(8)-dieno|p-Menth-1,4(8)-diene|p-Mentha-1,4(8)-dien|p-mentha-1,4(8)-diene|Tereben|Terpinolen|UN 2541|UNII-N9830X5KSL|d-Terpinene|69073-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027222
ARPathway2016 ARPathway2016_1363 Terpinolene 586-62-9 DTXSID0027222 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=C1CCC(C)=CC1 Terpinolene 586-62-9|Terpinolene|1-methyl-4-(1-methylethylidene)-1-cyclohexene|1-Methyl-4-(1-methylethylidene)-Cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene, 9CI|1-methyl-4-(propan-2-ylidene)cyclohex-1-ene|1-Methyl-4-(propan-2-ylidene)cyclohexene|1-Methyl-4-isopropylidene-1-cyclohexene|1-methyl-4-propan-2-ylidene-cyclohexene|1-methyl-4-propan-2-ylidenecyclohexene|1,4-Terpinolene|1,4(8)-p-menthadiene|1,4(8)-Terpadiene|4-isopropylidene-1-methyl-cyclohexene|4-Isopropylidene-1-methylcyclohexene|4-Isopropylidene-1-methylcyclohexene-1|alpha -Terpinolene|alpha-terpinolene|Cyclohexene, 1-methyl-4-(1-methylethylidene)-|Cyclohexene, 3-methyl-6-(1-methylethylidene)- (9CI)|EINECS 209-578-0|FEMA 3046|FEMA No. 3046|FEMA Number 3046|Isoterpinene|Nofmer TP|p-menta-1,4(8)-dieno|p-Menth-1,4(8)-diene|p-Mentha-1,4(8)-dien|p-mentha-1,4(8)-diene|Tereben|Terpinolen|UN 2541|UNII-N9830X5KSL|d-Terpinene|69073-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027222
ARPathway2016 ARPathway2016_1363 Terpinolene 586-62-9 DTXSID0027222 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)=C1CCC(C)=CC1 Terpinolene 586-62-9|Terpinolene|1-methyl-4-(1-methylethylidene)-1-cyclohexene|1-Methyl-4-(1-methylethylidene)-Cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene, 9CI|1-methyl-4-(propan-2-ylidene)cyclohex-1-ene|1-Methyl-4-(propan-2-ylidene)cyclohexene|1-Methyl-4-isopropylidene-1-cyclohexene|1-methyl-4-propan-2-ylidene-cyclohexene|1-methyl-4-propan-2-ylidenecyclohexene|1,4-Terpinolene|1,4(8)-p-menthadiene|1,4(8)-Terpadiene|4-isopropylidene-1-methyl-cyclohexene|4-Isopropylidene-1-methylcyclohexene|4-Isopropylidene-1-methylcyclohexene-1|alpha -Terpinolene|alpha-terpinolene|Cyclohexene, 1-methyl-4-(1-methylethylidene)-|Cyclohexene, 3-methyl-6-(1-methylethylidene)- (9CI)|EINECS 209-578-0|FEMA 3046|FEMA No. 3046|FEMA Number 3046|Isoterpinene|Nofmer TP|p-menta-1,4(8)-dieno|p-Menth-1,4(8)-diene|p-Mentha-1,4(8)-dien|p-mentha-1,4(8)-diene|Tereben|Terpinolen|UN 2541|UNII-N9830X5KSL|d-Terpinene|69073-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027222
ARPathway2016 ARPathway2016_1363 Terpinolene 586-62-9 DTXSID0027222 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=C1CCC(C)=CC1 Terpinolene 586-62-9|Terpinolene|1-methyl-4-(1-methylethylidene)-1-cyclohexene|1-Methyl-4-(1-methylethylidene)-Cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene, 9CI|1-methyl-4-(propan-2-ylidene)cyclohex-1-ene|1-Methyl-4-(propan-2-ylidene)cyclohexene|1-Methyl-4-isopropylidene-1-cyclohexene|1-methyl-4-propan-2-ylidene-cyclohexene|1-methyl-4-propan-2-ylidenecyclohexene|1,4-Terpinolene|1,4(8)-p-menthadiene|1,4(8)-Terpadiene|4-isopropylidene-1-methyl-cyclohexene|4-Isopropylidene-1-methylcyclohexene|4-Isopropylidene-1-methylcyclohexene-1|alpha -Terpinolene|alpha-terpinolene|Cyclohexene, 1-methyl-4-(1-methylethylidene)-|Cyclohexene, 3-methyl-6-(1-methylethylidene)- (9CI)|EINECS 209-578-0|FEMA 3046|FEMA No. 3046|FEMA Number 3046|Isoterpinene|Nofmer TP|p-menta-1,4(8)-dieno|p-Menth-1,4(8)-diene|p-Mentha-1,4(8)-dien|p-mentha-1,4(8)-diene|Tereben|Terpinolen|UN 2541|UNII-N9830X5KSL|d-Terpinene|69073-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027222
ERPathway2016 ERPathway2016_411 Terpinolene 586-62-9 DTXSID0027222 ER Pathway Model, Antagonist AC50 69.4775145314972 uM CC(C)=C1CCC(C)=CC1 Terpinolene 586-62-9|Terpinolene|1-methyl-4-(1-methylethylidene)-1-cyclohexene|1-Methyl-4-(1-methylethylidene)-Cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene, 9CI|1-methyl-4-(propan-2-ylidene)cyclohex-1-ene|1-Methyl-4-(propan-2-ylidene)cyclohexene|1-Methyl-4-isopropylidene-1-cyclohexene|1-methyl-4-propan-2-ylidene-cyclohexene|1-methyl-4-propan-2-ylidenecyclohexene|1,4-Terpinolene|1,4(8)-p-menthadiene|1,4(8)-Terpadiene|4-isopropylidene-1-methyl-cyclohexene|4-Isopropylidene-1-methylcyclohexene|4-Isopropylidene-1-methylcyclohexene-1|alpha -Terpinolene|alpha-terpinolene|Cyclohexene, 1-methyl-4-(1-methylethylidene)-|Cyclohexene, 3-methyl-6-(1-methylethylidene)- (9CI)|EINECS 209-578-0|FEMA 3046|FEMA No. 3046|FEMA Number 3046|Isoterpinene|Nofmer TP|p-menta-1,4(8)-dieno|p-Menth-1,4(8)-diene|p-Mentha-1,4(8)-dien|p-mentha-1,4(8)-diene|Tereben|Terpinolen|UN 2541|UNII-N9830X5KSL|d-Terpinene|69073-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027222
ERPathway2016 ERPathway2016_411 Terpinolene 586-62-9 DTXSID0027222 ER Pathway Model, Antagonist ACC 65.3108670446833 uM CC(C)=C1CCC(C)=CC1 Terpinolene 586-62-9|Terpinolene|1-methyl-4-(1-methylethylidene)-1-cyclohexene|1-Methyl-4-(1-methylethylidene)-Cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene, 9CI|1-methyl-4-(propan-2-ylidene)cyclohex-1-ene|1-Methyl-4-(propan-2-ylidene)cyclohexene|1-Methyl-4-isopropylidene-1-cyclohexene|1-methyl-4-propan-2-ylidene-cyclohexene|1-methyl-4-propan-2-ylidenecyclohexene|1,4-Terpinolene|1,4(8)-p-menthadiene|1,4(8)-Terpadiene|4-isopropylidene-1-methyl-cyclohexene|4-Isopropylidene-1-methylcyclohexene|4-Isopropylidene-1-methylcyclohexene-1|alpha -Terpinolene|alpha-terpinolene|Cyclohexene, 1-methyl-4-(1-methylethylidene)-|Cyclohexene, 3-methyl-6-(1-methylethylidene)- (9CI)|EINECS 209-578-0|FEMA 3046|FEMA No. 3046|FEMA Number 3046|Isoterpinene|Nofmer TP|p-menta-1,4(8)-dieno|p-Menth-1,4(8)-diene|p-Mentha-1,4(8)-dien|p-mentha-1,4(8)-diene|Tereben|Terpinolen|UN 2541|UNII-N9830X5KSL|d-Terpinene|69073-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027222
ERPathway2016 ERPathway2016_411 Terpinolene 586-62-9 DTXSID0027222 ER Pathway Model, Agonist Model Score 0.00827 Unitless CC(C)=C1CCC(C)=CC1 Terpinolene 586-62-9|Terpinolene|1-methyl-4-(1-methylethylidene)-1-cyclohexene|1-Methyl-4-(1-methylethylidene)-Cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene, 9CI|1-methyl-4-(propan-2-ylidene)cyclohex-1-ene|1-Methyl-4-(propan-2-ylidene)cyclohexene|1-Methyl-4-isopropylidene-1-cyclohexene|1-methyl-4-propan-2-ylidene-cyclohexene|1-methyl-4-propan-2-ylidenecyclohexene|1,4-Terpinolene|1,4(8)-p-menthadiene|1,4(8)-Terpadiene|4-isopropylidene-1-methyl-cyclohexene|4-Isopropylidene-1-methylcyclohexene|4-Isopropylidene-1-methylcyclohexene-1|alpha -Terpinolene|alpha-terpinolene|Cyclohexene, 1-methyl-4-(1-methylethylidene)-|Cyclohexene, 3-methyl-6-(1-methylethylidene)- (9CI)|EINECS 209-578-0|FEMA 3046|FEMA No. 3046|FEMA Number 3046|Isoterpinene|Nofmer TP|p-menta-1,4(8)-dieno|p-Menth-1,4(8)-diene|p-Mentha-1,4(8)-dien|p-mentha-1,4(8)-diene|Tereben|Terpinolen|UN 2541|UNII-N9830X5KSL|d-Terpinene|69073-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027222
ERPathway2016 ERPathway2016_411 Terpinolene 586-62-9 DTXSID0027222 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=C1CCC(C)=CC1 Terpinolene 586-62-9|Terpinolene|1-methyl-4-(1-methylethylidene)-1-cyclohexene|1-Methyl-4-(1-methylethylidene)-Cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene, 9CI|1-methyl-4-(propan-2-ylidene)cyclohex-1-ene|1-Methyl-4-(propan-2-ylidene)cyclohexene|1-Methyl-4-isopropylidene-1-cyclohexene|1-methyl-4-propan-2-ylidene-cyclohexene|1-methyl-4-propan-2-ylidenecyclohexene|1,4-Terpinolene|1,4(8)-p-menthadiene|1,4(8)-Terpadiene|4-isopropylidene-1-methyl-cyclohexene|4-Isopropylidene-1-methylcyclohexene|4-Isopropylidene-1-methylcyclohexene-1|alpha -Terpinolene|alpha-terpinolene|Cyclohexene, 1-methyl-4-(1-methylethylidene)-|Cyclohexene, 3-methyl-6-(1-methylethylidene)- (9CI)|EINECS 209-578-0|FEMA 3046|FEMA No. 3046|FEMA Number 3046|Isoterpinene|Nofmer TP|p-menta-1,4(8)-dieno|p-Menth-1,4(8)-diene|p-Mentha-1,4(8)-dien|p-mentha-1,4(8)-diene|Tereben|Terpinolen|UN 2541|UNII-N9830X5KSL|d-Terpinene|69073-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027222
ERPathway2016 ERPathway2016_411 Terpinolene 586-62-9 DTXSID0027222 ER Pathway Model, Agonist Call Inactive Unitless CC(C)=C1CCC(C)=CC1 Terpinolene 586-62-9|Terpinolene|1-methyl-4-(1-methylethylidene)-1-cyclohexene|1-Methyl-4-(1-methylethylidene)-Cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene, 9CI|1-methyl-4-(propan-2-ylidene)cyclohex-1-ene|1-Methyl-4-(propan-2-ylidene)cyclohexene|1-Methyl-4-isopropylidene-1-cyclohexene|1-methyl-4-propan-2-ylidene-cyclohexene|1-methyl-4-propan-2-ylidenecyclohexene|1,4-Terpinolene|1,4(8)-p-menthadiene|1,4(8)-Terpadiene|4-isopropylidene-1-methyl-cyclohexene|4-Isopropylidene-1-methylcyclohexene|4-Isopropylidene-1-methylcyclohexene-1|alpha -Terpinolene|alpha-terpinolene|Cyclohexene, 1-methyl-4-(1-methylethylidene)-|Cyclohexene, 3-methyl-6-(1-methylethylidene)- (9CI)|EINECS 209-578-0|FEMA 3046|FEMA No. 3046|FEMA Number 3046|Isoterpinene|Nofmer TP|p-menta-1,4(8)-dieno|p-Menth-1,4(8)-diene|p-Mentha-1,4(8)-dien|p-mentha-1,4(8)-diene|Tereben|Terpinolen|UN 2541|UNII-N9830X5KSL|d-Terpinene|69073-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027222
ERPathway2016 ERPathway2016_411 Terpinolene 586-62-9 DTXSID0027222 ER Pathway Model, Antagonist Call Active Unitless CC(C)=C1CCC(C)=CC1 Terpinolene 586-62-9|Terpinolene|1-methyl-4-(1-methylethylidene)-1-cyclohexene|1-Methyl-4-(1-methylethylidene)-Cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene|1-Methyl-4-(1-methylethylidene)cyclohexene, 9CI|1-methyl-4-(propan-2-ylidene)cyclohex-1-ene|1-Methyl-4-(propan-2-ylidene)cyclohexene|1-Methyl-4-isopropylidene-1-cyclohexene|1-methyl-4-propan-2-ylidene-cyclohexene|1-methyl-4-propan-2-ylidenecyclohexene|1,4-Terpinolene|1,4(8)-p-menthadiene|1,4(8)-Terpadiene|4-isopropylidene-1-methyl-cyclohexene|4-Isopropylidene-1-methylcyclohexene|4-Isopropylidene-1-methylcyclohexene-1|alpha -Terpinolene|alpha-terpinolene|Cyclohexene, 1-methyl-4-(1-methylethylidene)-|Cyclohexene, 3-methyl-6-(1-methylethylidene)- (9CI)|EINECS 209-578-0|FEMA 3046|FEMA No. 3046|FEMA Number 3046|Isoterpinene|Nofmer TP|p-menta-1,4(8)-dieno|p-Menth-1,4(8)-diene|p-Mentha-1,4(8)-dien|p-mentha-1,4(8)-diene|Tereben|Terpinolen|UN 2541|UNII-N9830X5KSL|d-Terpinene|69073-38-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0027222
ARPathway2016 ARPathway2016_1603 Terpinyl propionate 80-27-3 DTXSID3044833 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC(=O)OC(C)(C)C1CCC(C)=CC1 Terpinyl propionate 80-27-3|Terpinyl propionate|2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl propanoate|2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl propanoate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate|3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, propionate|alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl propionate|EINECS 201-266-2|FEMA No. 3053|p-Menth-1-en-8-yl propanoate|UNII-7JE9M43B3K|1334-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3044833
ARPathway2016 ARPathway2016_1603 Terpinyl propionate 80-27-3 DTXSID3044833 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC(=O)OC(C)(C)C1CCC(C)=CC1 Terpinyl propionate 80-27-3|Terpinyl propionate|2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl propanoate|2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl propanoate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate|3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, propionate|alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl propionate|EINECS 201-266-2|FEMA No. 3053|p-Menth-1-en-8-yl propanoate|UNII-7JE9M43B3K|1334-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3044833
ARPathway2016 ARPathway2016_1603 Terpinyl propionate 80-27-3 DTXSID3044833 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC(=O)OC(C)(C)C1CCC(C)=CC1 Terpinyl propionate 80-27-3|Terpinyl propionate|2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl propanoate|2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl propanoate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate|3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, propionate|alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl propionate|EINECS 201-266-2|FEMA No. 3053|p-Menth-1-en-8-yl propanoate|UNII-7JE9M43B3K|1334-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3044833
ARPathway2016 ARPathway2016_1603 Terpinyl propionate 80-27-3 DTXSID3044833 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC(=O)OC(C)(C)C1CCC(C)=CC1 Terpinyl propionate 80-27-3|Terpinyl propionate|2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl propanoate|2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl propanoate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate|3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, propionate|alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl propionate|EINECS 201-266-2|FEMA No. 3053|p-Menth-1-en-8-yl propanoate|UNII-7JE9M43B3K|1334-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3044833
ERPathway2016 ERPathway2016_1019 Terpinyl propionate 80-27-3 DTXSID3044833 ER Pathway Model, Agonist Model Score 0 Unitless CCC(=O)OC(C)(C)C1CCC(C)=CC1 Terpinyl propionate 80-27-3|Terpinyl propionate|2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl propanoate|2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl propanoate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate|3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, propionate|alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl propionate|EINECS 201-266-2|FEMA No. 3053|p-Menth-1-en-8-yl propanoate|UNII-7JE9M43B3K|1334-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3044833
ERPathway2016 ERPathway2016_1019 Terpinyl propionate 80-27-3 DTXSID3044833 ER Pathway Model, Antagonist Model Score 0 Unitless CCC(=O)OC(C)(C)C1CCC(C)=CC1 Terpinyl propionate 80-27-3|Terpinyl propionate|2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl propanoate|2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl propanoate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate|3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, propionate|alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl propionate|EINECS 201-266-2|FEMA No. 3053|p-Menth-1-en-8-yl propanoate|UNII-7JE9M43B3K|1334-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3044833
ERPathway2016 ERPathway2016_1019 Terpinyl propionate 80-27-3 DTXSID3044833 ER Pathway Model, Agonist Call Inactive Unitless CCC(=O)OC(C)(C)C1CCC(C)=CC1 Terpinyl propionate 80-27-3|Terpinyl propionate|2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl propanoate|2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl propanoate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate|3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, propionate|alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl propionate|EINECS 201-266-2|FEMA No. 3053|p-Menth-1-en-8-yl propanoate|UNII-7JE9M43B3K|1334-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3044833
ERPathway2016 ERPathway2016_1019 Terpinyl propionate 80-27-3 DTXSID3044833 ER Pathway Model, Antagonist Call Inactive Unitless CCC(=O)OC(C)(C)C1CCC(C)=CC1 Terpinyl propionate 80-27-3|Terpinyl propionate|2-(4-Methyl-3-cyclohexen-1-yl)-2-propanyl propanoate|2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl propanoate|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate|3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, propionate|alpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl propionate|EINECS 201-266-2|FEMA No. 3053|p-Menth-1-en-8-yl propanoate|UNII-7JE9M43B3K|1334-92-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3044833
ARPathway2016 ARPathway2016_1302 tert-Butyl acetate 540-88-5 DTXSID1022055 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OC(C)(C)C tert-Butyl acetate 540-88-5|tert-Butyl acetate|1,1-Dimethyl acetate|1,1-Dimethylethyl acetate|2-Acetoxy-2-methylpropane|4-02-00-00151|Acetate de tert-butyle|acetato de terc-butilo|Acetic acid tert-butyl ester|Acetic acid, 1,1-dimethylethyl ester|Acetic acid, 1,1-dimethylethyl esterUN 1123|Acetic acid, tert-butyl ester|BRN 1699506|EINECS 208-760-7|ESSIGSAEURE-TERT-BUTYLESTER|NSC 59719|t-Butyl acetate|tert butyl acetate|tert-Butyl alcohol, acetate|tert-Butyl ethanoate|tert-Butylacetat|Texaco lead appreciator|UNII-76N22HKP3X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022055
ARPathway2016 ARPathway2016_1302 tert-Butyl acetate 540-88-5 DTXSID1022055 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)OC(C)(C)C tert-Butyl acetate 540-88-5|tert-Butyl acetate|1,1-Dimethyl acetate|1,1-Dimethylethyl acetate|2-Acetoxy-2-methylpropane|4-02-00-00151|Acetate de tert-butyle|acetato de terc-butilo|Acetic acid tert-butyl ester|Acetic acid, 1,1-dimethylethyl ester|Acetic acid, 1,1-dimethylethyl esterUN 1123|Acetic acid, tert-butyl ester|BRN 1699506|EINECS 208-760-7|ESSIGSAEURE-TERT-BUTYLESTER|NSC 59719|t-Butyl acetate|tert butyl acetate|tert-Butyl alcohol, acetate|tert-Butyl ethanoate|tert-Butylacetat|Texaco lead appreciator|UNII-76N22HKP3X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022055
ARPathway2016 ARPathway2016_1302 tert-Butyl acetate 540-88-5 DTXSID1022055 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)OC(C)(C)C tert-Butyl acetate 540-88-5|tert-Butyl acetate|1,1-Dimethyl acetate|1,1-Dimethylethyl acetate|2-Acetoxy-2-methylpropane|4-02-00-00151|Acetate de tert-butyle|acetato de terc-butilo|Acetic acid tert-butyl ester|Acetic acid, 1,1-dimethylethyl ester|Acetic acid, 1,1-dimethylethyl esterUN 1123|Acetic acid, tert-butyl ester|BRN 1699506|EINECS 208-760-7|ESSIGSAEURE-TERT-BUTYLESTER|NSC 59719|t-Butyl acetate|tert butyl acetate|tert-Butyl alcohol, acetate|tert-Butyl ethanoate|tert-Butylacetat|Texaco lead appreciator|UNII-76N22HKP3X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022055
ARPathway2016 ARPathway2016_1302 tert-Butyl acetate 540-88-5 DTXSID1022055 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)OC(C)(C)C tert-Butyl acetate 540-88-5|tert-Butyl acetate|1,1-Dimethyl acetate|1,1-Dimethylethyl acetate|2-Acetoxy-2-methylpropane|4-02-00-00151|Acetate de tert-butyle|acetato de terc-butilo|Acetic acid tert-butyl ester|Acetic acid, 1,1-dimethylethyl ester|Acetic acid, 1,1-dimethylethyl esterUN 1123|Acetic acid, tert-butyl ester|BRN 1699506|EINECS 208-760-7|ESSIGSAEURE-TERT-BUTYLESTER|NSC 59719|t-Butyl acetate|tert butyl acetate|tert-Butyl alcohol, acetate|tert-Butyl ethanoate|tert-Butylacetat|Texaco lead appreciator|UNII-76N22HKP3X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022055
ERPathway2016 ERPathway2016_1524 tert-Butyl acetate 540-88-5 DTXSID1022055 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)OC(C)(C)C tert-Butyl acetate 540-88-5|tert-Butyl acetate|1,1-Dimethyl acetate|1,1-Dimethylethyl acetate|2-Acetoxy-2-methylpropane|4-02-00-00151|Acetate de tert-butyle|acetato de terc-butilo|Acetic acid tert-butyl ester|Acetic acid, 1,1-dimethylethyl ester|Acetic acid, 1,1-dimethylethyl esterUN 1123|Acetic acid, tert-butyl ester|BRN 1699506|EINECS 208-760-7|ESSIGSAEURE-TERT-BUTYLESTER|NSC 59719|t-Butyl acetate|tert butyl acetate|tert-Butyl alcohol, acetate|tert-Butyl ethanoate|tert-Butylacetat|Texaco lead appreciator|UNII-76N22HKP3X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022055
ERPathway2016 ERPathway2016_1524 tert-Butyl acetate 540-88-5 DTXSID1022055 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OC(C)(C)C tert-Butyl acetate 540-88-5|tert-Butyl acetate|1,1-Dimethyl acetate|1,1-Dimethylethyl acetate|2-Acetoxy-2-methylpropane|4-02-00-00151|Acetate de tert-butyle|acetato de terc-butilo|Acetic acid tert-butyl ester|Acetic acid, 1,1-dimethylethyl ester|Acetic acid, 1,1-dimethylethyl esterUN 1123|Acetic acid, tert-butyl ester|BRN 1699506|EINECS 208-760-7|ESSIGSAEURE-TERT-BUTYLESTER|NSC 59719|t-Butyl acetate|tert butyl acetate|tert-Butyl alcohol, acetate|tert-Butyl ethanoate|tert-Butylacetat|Texaco lead appreciator|UNII-76N22HKP3X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022055
ERPathway2016 ERPathway2016_1524 tert-Butyl acetate 540-88-5 DTXSID1022055 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)OC(C)(C)C tert-Butyl acetate 540-88-5|tert-Butyl acetate|1,1-Dimethyl acetate|1,1-Dimethylethyl acetate|2-Acetoxy-2-methylpropane|4-02-00-00151|Acetate de tert-butyle|acetato de terc-butilo|Acetic acid tert-butyl ester|Acetic acid, 1,1-dimethylethyl ester|Acetic acid, 1,1-dimethylethyl esterUN 1123|Acetic acid, tert-butyl ester|BRN 1699506|EINECS 208-760-7|ESSIGSAEURE-TERT-BUTYLESTER|NSC 59719|t-Butyl acetate|tert butyl acetate|tert-Butyl alcohol, acetate|tert-Butyl ethanoate|tert-Butylacetat|Texaco lead appreciator|UNII-76N22HKP3X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022055
ERPathway2016 ERPathway2016_1524 tert-Butyl acetate 540-88-5 DTXSID1022055 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)OC(C)(C)C tert-Butyl acetate 540-88-5|tert-Butyl acetate|1,1-Dimethyl acetate|1,1-Dimethylethyl acetate|2-Acetoxy-2-methylpropane|4-02-00-00151|Acetate de tert-butyle|acetato de terc-butilo|Acetic acid tert-butyl ester|Acetic acid, 1,1-dimethylethyl ester|Acetic acid, 1,1-dimethylethyl esterUN 1123|Acetic acid, tert-butyl ester|BRN 1699506|EINECS 208-760-7|ESSIGSAEURE-TERT-BUTYLESTER|NSC 59719|t-Butyl acetate|tert butyl acetate|tert-Butyl alcohol, acetate|tert-Butyl ethanoate|tert-Butylacetat|Texaco lead appreciator|UNII-76N22HKP3X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1022055
ARPathway2016 ARPathway2016_1398 tert-Butyl perbenzoate 614-45-9 DTXSID9024699 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)OOC(=O)C1=CC=CC=C1 tert-Butyl perbenzoate 614-45-9|tert-Butyl perbenzoate|1,1-Dimethylethyl ester of benzenecarboperoxoic acid|Benzenecarboperoxoic acid 1,1-dimethylethyl ester|Benzenecarboperoxoic acid, 1,1-dimethylethyl ester|BENZENECARBOPEROXOIC ACID, 1,1-DIMETHYLETHYLESTER|Benzoyl tert-butyl peroxide|BRN 1342734|Chaloxyd TBPB|Chaloxyd TBPB-HA-M 1|EINECS 210-382-2|Interox TBPB-HA-M 1|Kayabutyl B|Link-Cup TBPB|Luperox P|Norox TBPB|NSC 674|Perbenzoate de butyle tertiaire|Perbenzoate de tert-butyle|PERBENZOATE, TERT-BUTYL|perbenzoato de terc-butilo|PERBENZOESAEURE-TERT.-BUTYLESTER|Perbenzoic acid, tert-butyl ester|Perbutyl Z|Peroxybenzoic acid, tert-butyl ester|t-Butyl perbenzoate|t-Butyl peroxy benzoate|t-Butyl peroxybenzoate|TBPB-HA-M 1|terc.Butylester kyseliny peroxybenzoove|terc.Butylperbenzoan|tert-Butyl benzoyl peroxide|tert-Butyl peroxy benzoate|TERT-BUTYL PEROXYBENZOATE|tert-Butylperbenzoat|Trigonox 93|Trigonox C|Trigonox C 50D|Trigonox C/50D|UNII-54E39145KT https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024699 https://doi.org/10.22427/NTP-DATA-DTXSID9024699
ARPathway2016 ARPathway2016_1398 tert-Butyl perbenzoate 614-45-9 DTXSID9024699 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)OOC(=O)C1=CC=CC=C1 tert-Butyl perbenzoate 614-45-9|tert-Butyl perbenzoate|1,1-Dimethylethyl ester of benzenecarboperoxoic acid|Benzenecarboperoxoic acid 1,1-dimethylethyl ester|Benzenecarboperoxoic acid, 1,1-dimethylethyl ester|BENZENECARBOPEROXOIC ACID, 1,1-DIMETHYLETHYLESTER|Benzoyl tert-butyl peroxide|BRN 1342734|Chaloxyd TBPB|Chaloxyd TBPB-HA-M 1|EINECS 210-382-2|Interox TBPB-HA-M 1|Kayabutyl B|Link-Cup TBPB|Luperox P|Norox TBPB|NSC 674|Perbenzoate de butyle tertiaire|Perbenzoate de tert-butyle|PERBENZOATE, TERT-BUTYL|perbenzoato de terc-butilo|PERBENZOESAEURE-TERT.-BUTYLESTER|Perbenzoic acid, tert-butyl ester|Perbutyl Z|Peroxybenzoic acid, tert-butyl ester|t-Butyl perbenzoate|t-Butyl peroxy benzoate|t-Butyl peroxybenzoate|TBPB-HA-M 1|terc.Butylester kyseliny peroxybenzoove|terc.Butylperbenzoan|tert-Butyl benzoyl peroxide|tert-Butyl peroxy benzoate|TERT-BUTYL PEROXYBENZOATE|tert-Butylperbenzoat|Trigonox 93|Trigonox C|Trigonox C 50D|Trigonox C/50D|UNII-54E39145KT https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024699 https://doi.org/10.22427/NTP-DATA-DTXSID9024699
ARPathway2016 ARPathway2016_1398 tert-Butyl perbenzoate 614-45-9 DTXSID9024699 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)OOC(=O)C1=CC=CC=C1 tert-Butyl perbenzoate 614-45-9|tert-Butyl perbenzoate|1,1-Dimethylethyl ester of benzenecarboperoxoic acid|Benzenecarboperoxoic acid 1,1-dimethylethyl ester|Benzenecarboperoxoic acid, 1,1-dimethylethyl ester|BENZENECARBOPEROXOIC ACID, 1,1-DIMETHYLETHYLESTER|Benzoyl tert-butyl peroxide|BRN 1342734|Chaloxyd TBPB|Chaloxyd TBPB-HA-M 1|EINECS 210-382-2|Interox TBPB-HA-M 1|Kayabutyl B|Link-Cup TBPB|Luperox P|Norox TBPB|NSC 674|Perbenzoate de butyle tertiaire|Perbenzoate de tert-butyle|PERBENZOATE, TERT-BUTYL|perbenzoato de terc-butilo|PERBENZOESAEURE-TERT.-BUTYLESTER|Perbenzoic acid, tert-butyl ester|Perbutyl Z|Peroxybenzoic acid, tert-butyl ester|t-Butyl perbenzoate|t-Butyl peroxy benzoate|t-Butyl peroxybenzoate|TBPB-HA-M 1|terc.Butylester kyseliny peroxybenzoove|terc.Butylperbenzoan|tert-Butyl benzoyl peroxide|tert-Butyl peroxy benzoate|TERT-BUTYL PEROXYBENZOATE|tert-Butylperbenzoat|Trigonox 93|Trigonox C|Trigonox C 50D|Trigonox C/50D|UNII-54E39145KT https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024699 https://doi.org/10.22427/NTP-DATA-DTXSID9024699
ARPathway2016 ARPathway2016_1398 tert-Butyl perbenzoate 614-45-9 DTXSID9024699 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)OOC(=O)C1=CC=CC=C1 tert-Butyl perbenzoate 614-45-9|tert-Butyl perbenzoate|1,1-Dimethylethyl ester of benzenecarboperoxoic acid|Benzenecarboperoxoic acid 1,1-dimethylethyl ester|Benzenecarboperoxoic acid, 1,1-dimethylethyl ester|BENZENECARBOPEROXOIC ACID, 1,1-DIMETHYLETHYLESTER|Benzoyl tert-butyl peroxide|BRN 1342734|Chaloxyd TBPB|Chaloxyd TBPB-HA-M 1|EINECS 210-382-2|Interox TBPB-HA-M 1|Kayabutyl B|Link-Cup TBPB|Luperox P|Norox TBPB|NSC 674|Perbenzoate de butyle tertiaire|Perbenzoate de tert-butyle|PERBENZOATE, TERT-BUTYL|perbenzoato de terc-butilo|PERBENZOESAEURE-TERT.-BUTYLESTER|Perbenzoic acid, tert-butyl ester|Perbutyl Z|Peroxybenzoic acid, tert-butyl ester|t-Butyl perbenzoate|t-Butyl peroxy benzoate|t-Butyl peroxybenzoate|TBPB-HA-M 1|terc.Butylester kyseliny peroxybenzoove|terc.Butylperbenzoan|tert-Butyl benzoyl peroxide|tert-Butyl peroxy benzoate|TERT-BUTYL PEROXYBENZOATE|tert-Butylperbenzoat|Trigonox 93|Trigonox C|Trigonox C 50D|Trigonox C/50D|UNII-54E39145KT https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024699 https://doi.org/10.22427/NTP-DATA-DTXSID9024699
ERPathway2016 ERPathway2016_1574 tert-Butyl perbenzoate 614-45-9 DTXSID9024699 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)OOC(=O)C1=CC=CC=C1 tert-Butyl perbenzoate 614-45-9|tert-Butyl perbenzoate|1,1-Dimethylethyl ester of benzenecarboperoxoic acid|Benzenecarboperoxoic acid 1,1-dimethylethyl ester|Benzenecarboperoxoic acid, 1,1-dimethylethyl ester|BENZENECARBOPEROXOIC ACID, 1,1-DIMETHYLETHYLESTER|Benzoyl tert-butyl peroxide|BRN 1342734|Chaloxyd TBPB|Chaloxyd TBPB-HA-M 1|EINECS 210-382-2|Interox TBPB-HA-M 1|Kayabutyl B|Link-Cup TBPB|Luperox P|Norox TBPB|NSC 674|Perbenzoate de butyle tertiaire|Perbenzoate de tert-butyle|PERBENZOATE, TERT-BUTYL|perbenzoato de terc-butilo|PERBENZOESAEURE-TERT.-BUTYLESTER|Perbenzoic acid, tert-butyl ester|Perbutyl Z|Peroxybenzoic acid, tert-butyl ester|t-Butyl perbenzoate|t-Butyl peroxy benzoate|t-Butyl peroxybenzoate|TBPB-HA-M 1|terc.Butylester kyseliny peroxybenzoove|terc.Butylperbenzoan|tert-Butyl benzoyl peroxide|tert-Butyl peroxy benzoate|TERT-BUTYL PEROXYBENZOATE|tert-Butylperbenzoat|Trigonox 93|Trigonox C|Trigonox C 50D|Trigonox C/50D|UNII-54E39145KT https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024699 https://doi.org/10.22427/NTP-DATA-DTXSID9024699
ERPathway2016 ERPathway2016_1574 tert-Butyl perbenzoate 614-45-9 DTXSID9024699 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)OOC(=O)C1=CC=CC=C1 tert-Butyl perbenzoate 614-45-9|tert-Butyl perbenzoate|1,1-Dimethylethyl ester of benzenecarboperoxoic acid|Benzenecarboperoxoic acid 1,1-dimethylethyl ester|Benzenecarboperoxoic acid, 1,1-dimethylethyl ester|BENZENECARBOPEROXOIC ACID, 1,1-DIMETHYLETHYLESTER|Benzoyl tert-butyl peroxide|BRN 1342734|Chaloxyd TBPB|Chaloxyd TBPB-HA-M 1|EINECS 210-382-2|Interox TBPB-HA-M 1|Kayabutyl B|Link-Cup TBPB|Luperox P|Norox TBPB|NSC 674|Perbenzoate de butyle tertiaire|Perbenzoate de tert-butyle|PERBENZOATE, TERT-BUTYL|perbenzoato de terc-butilo|PERBENZOESAEURE-TERT.-BUTYLESTER|Perbenzoic acid, tert-butyl ester|Perbutyl Z|Peroxybenzoic acid, tert-butyl ester|t-Butyl perbenzoate|t-Butyl peroxy benzoate|t-Butyl peroxybenzoate|TBPB-HA-M 1|terc.Butylester kyseliny peroxybenzoove|terc.Butylperbenzoan|tert-Butyl benzoyl peroxide|tert-Butyl peroxy benzoate|TERT-BUTYL PEROXYBENZOATE|tert-Butylperbenzoat|Trigonox 93|Trigonox C|Trigonox C 50D|Trigonox C/50D|UNII-54E39145KT https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024699 https://doi.org/10.22427/NTP-DATA-DTXSID9024699
ERPathway2016 ERPathway2016_1574 tert-Butyl perbenzoate 614-45-9 DTXSID9024699 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)OOC(=O)C1=CC=CC=C1 tert-Butyl perbenzoate 614-45-9|tert-Butyl perbenzoate|1,1-Dimethylethyl ester of benzenecarboperoxoic acid|Benzenecarboperoxoic acid 1,1-dimethylethyl ester|Benzenecarboperoxoic acid, 1,1-dimethylethyl ester|BENZENECARBOPEROXOIC ACID, 1,1-DIMETHYLETHYLESTER|Benzoyl tert-butyl peroxide|BRN 1342734|Chaloxyd TBPB|Chaloxyd TBPB-HA-M 1|EINECS 210-382-2|Interox TBPB-HA-M 1|Kayabutyl B|Link-Cup TBPB|Luperox P|Norox TBPB|NSC 674|Perbenzoate de butyle tertiaire|Perbenzoate de tert-butyle|PERBENZOATE, TERT-BUTYL|perbenzoato de terc-butilo|PERBENZOESAEURE-TERT.-BUTYLESTER|Perbenzoic acid, tert-butyl ester|Perbutyl Z|Peroxybenzoic acid, tert-butyl ester|t-Butyl perbenzoate|t-Butyl peroxy benzoate|t-Butyl peroxybenzoate|TBPB-HA-M 1|terc.Butylester kyseliny peroxybenzoove|terc.Butylperbenzoan|tert-Butyl benzoyl peroxide|tert-Butyl peroxy benzoate|TERT-BUTYL PEROXYBENZOATE|tert-Butylperbenzoat|Trigonox 93|Trigonox C|Trigonox C 50D|Trigonox C/50D|UNII-54E39145KT https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024699 https://doi.org/10.22427/NTP-DATA-DTXSID9024699
ERPathway2016 ERPathway2016_1574 tert-Butyl perbenzoate 614-45-9 DTXSID9024699 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)OOC(=O)C1=CC=CC=C1 tert-Butyl perbenzoate 614-45-9|tert-Butyl perbenzoate|1,1-Dimethylethyl ester of benzenecarboperoxoic acid|Benzenecarboperoxoic acid 1,1-dimethylethyl ester|Benzenecarboperoxoic acid, 1,1-dimethylethyl ester|BENZENECARBOPEROXOIC ACID, 1,1-DIMETHYLETHYLESTER|Benzoyl tert-butyl peroxide|BRN 1342734|Chaloxyd TBPB|Chaloxyd TBPB-HA-M 1|EINECS 210-382-2|Interox TBPB-HA-M 1|Kayabutyl B|Link-Cup TBPB|Luperox P|Norox TBPB|NSC 674|Perbenzoate de butyle tertiaire|Perbenzoate de tert-butyle|PERBENZOATE, TERT-BUTYL|perbenzoato de terc-butilo|PERBENZOESAEURE-TERT.-BUTYLESTER|Perbenzoic acid, tert-butyl ester|Perbutyl Z|Peroxybenzoic acid, tert-butyl ester|t-Butyl perbenzoate|t-Butyl peroxy benzoate|t-Butyl peroxybenzoate|TBPB-HA-M 1|terc.Butylester kyseliny peroxybenzoove|terc.Butylperbenzoan|tert-Butyl benzoyl peroxide|tert-Butyl peroxy benzoate|TERT-BUTYL PEROXYBENZOATE|tert-Butylperbenzoat|Trigonox 93|Trigonox C|Trigonox C 50D|Trigonox C/50D|UNII-54E39145KT https://comptox.epa.gov/dashboard/chemical/details/DTXSID9024699 https://doi.org/10.22427/NTP-DATA-DTXSID9024699
ARPathway2016 ARPathway2016_1730 tert-Butyl phenyl ketone 938-16-9 DTXSID1048209 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C(=O)C1=CC=CC=C1 tert-Butyl phenyl ketone 938-16-9|tert-Butyl phenyl ketone|EINECS 213-338-0|UNII-96BA178UNX https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048209
ARPathway2016 ARPathway2016_1730 tert-Butyl phenyl ketone 938-16-9 DTXSID1048209 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C(=O)C1=CC=CC=C1 tert-Butyl phenyl ketone 938-16-9|tert-Butyl phenyl ketone|EINECS 213-338-0|UNII-96BA178UNX https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048209
ARPathway2016 ARPathway2016_1730 tert-Butyl phenyl ketone 938-16-9 DTXSID1048209 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C(=O)C1=CC=CC=C1 tert-Butyl phenyl ketone 938-16-9|tert-Butyl phenyl ketone|EINECS 213-338-0|UNII-96BA178UNX https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048209
ARPathway2016 ARPathway2016_1730 tert-Butyl phenyl ketone 938-16-9 DTXSID1048209 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C(=O)C1=CC=CC=C1 tert-Butyl phenyl ketone 938-16-9|tert-Butyl phenyl ketone|EINECS 213-338-0|UNII-96BA178UNX https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048209
ERPathway2016 ERPathway2016_943 tert-Butyl phenyl ketone 938-16-9 DTXSID1048209 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C(=O)C1=CC=CC=C1 tert-Butyl phenyl ketone 938-16-9|tert-Butyl phenyl ketone|EINECS 213-338-0|UNII-96BA178UNX https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048209
ERPathway2016 ERPathway2016_943 tert-Butyl phenyl ketone 938-16-9 DTXSID1048209 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C(=O)C1=CC=CC=C1 tert-Butyl phenyl ketone 938-16-9|tert-Butyl phenyl ketone|EINECS 213-338-0|UNII-96BA178UNX https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048209
ERPathway2016 ERPathway2016_943 tert-Butyl phenyl ketone 938-16-9 DTXSID1048209 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C(=O)C1=CC=CC=C1 tert-Butyl phenyl ketone 938-16-9|tert-Butyl phenyl ketone|EINECS 213-338-0|UNII-96BA178UNX https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048209
ERPathway2016 ERPathway2016_943 tert-Butyl phenyl ketone 938-16-9 DTXSID1048209 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C(=O)C1=CC=CC=C1 tert-Butyl phenyl ketone 938-16-9|tert-Butyl phenyl ketone|EINECS 213-338-0|UNII-96BA178UNX https://comptox.epa.gov/dashboard/chemical/details/DTXSID1048209
ARPathway2016 ARPathway2016_1529 tert-Butylamine 75-64-9 DTXSID5024681 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)N tert-Butylamine 75-64-9|tert-Butylamine|1-Amino-1,1-dimethylethane|1,1-Dimethylethanamine|1,1-Dimethylethylamine|2-Amino-2-methylpropane|2-Aminoisobutane|2-Methyl-2-aminopropane|2-Methyl-2-propanamine|2-Methyl-2-propylamine|2-Propanamine, 2-methyl-|Butylamine, tert|Butylamine, tertiary|EINECS 200-888-1|Erbumine|N-tert-Butylamine|NSC 9571|t-Butylamine|terc-butilamina|TERT-BUTYL AMINE|tert-Butylamin|TERTIARY-BUTYLAMINE|Trimethylaminomethane|UNII-91Z53KF68U|94896-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024681 https://doi.org/10.22427/NTP-DATA-DTXSID5024681
ARPathway2016 ARPathway2016_1529 tert-Butylamine 75-64-9 DTXSID5024681 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)N tert-Butylamine 75-64-9|tert-Butylamine|1-Amino-1,1-dimethylethane|1,1-Dimethylethanamine|1,1-Dimethylethylamine|2-Amino-2-methylpropane|2-Aminoisobutane|2-Methyl-2-aminopropane|2-Methyl-2-propanamine|2-Methyl-2-propylamine|2-Propanamine, 2-methyl-|Butylamine, tert|Butylamine, tertiary|EINECS 200-888-1|Erbumine|N-tert-Butylamine|NSC 9571|t-Butylamine|terc-butilamina|TERT-BUTYL AMINE|tert-Butylamin|TERTIARY-BUTYLAMINE|Trimethylaminomethane|UNII-91Z53KF68U|94896-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024681 https://doi.org/10.22427/NTP-DATA-DTXSID5024681
ARPathway2016 ARPathway2016_1529 tert-Butylamine 75-64-9 DTXSID5024681 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)N tert-Butylamine 75-64-9|tert-Butylamine|1-Amino-1,1-dimethylethane|1,1-Dimethylethanamine|1,1-Dimethylethylamine|2-Amino-2-methylpropane|2-Aminoisobutane|2-Methyl-2-aminopropane|2-Methyl-2-propanamine|2-Methyl-2-propylamine|2-Propanamine, 2-methyl-|Butylamine, tert|Butylamine, tertiary|EINECS 200-888-1|Erbumine|N-tert-Butylamine|NSC 9571|t-Butylamine|terc-butilamina|TERT-BUTYL AMINE|tert-Butylamin|TERTIARY-BUTYLAMINE|Trimethylaminomethane|UNII-91Z53KF68U|94896-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024681 https://doi.org/10.22427/NTP-DATA-DTXSID5024681
ARPathway2016 ARPathway2016_1529 tert-Butylamine 75-64-9 DTXSID5024681 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)N tert-Butylamine 75-64-9|tert-Butylamine|1-Amino-1,1-dimethylethane|1,1-Dimethylethanamine|1,1-Dimethylethylamine|2-Amino-2-methylpropane|2-Aminoisobutane|2-Methyl-2-aminopropane|2-Methyl-2-propanamine|2-Methyl-2-propylamine|2-Propanamine, 2-methyl-|Butylamine, tert|Butylamine, tertiary|EINECS 200-888-1|Erbumine|N-tert-Butylamine|NSC 9571|t-Butylamine|terc-butilamina|TERT-BUTYL AMINE|tert-Butylamin|TERTIARY-BUTYLAMINE|Trimethylaminomethane|UNII-91Z53KF68U|94896-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024681 https://doi.org/10.22427/NTP-DATA-DTXSID5024681
ERPathway2016 ERPathway2016_1638 tert-Butylamine 75-64-9 DTXSID5024681 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)N tert-Butylamine 75-64-9|tert-Butylamine|1-Amino-1,1-dimethylethane|1,1-Dimethylethanamine|1,1-Dimethylethylamine|2-Amino-2-methylpropane|2-Aminoisobutane|2-Methyl-2-aminopropane|2-Methyl-2-propanamine|2-Methyl-2-propylamine|2-Propanamine, 2-methyl-|Butylamine, tert|Butylamine, tertiary|EINECS 200-888-1|Erbumine|N-tert-Butylamine|NSC 9571|t-Butylamine|terc-butilamina|TERT-BUTYL AMINE|tert-Butylamin|TERTIARY-BUTYLAMINE|Trimethylaminomethane|UNII-91Z53KF68U|94896-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024681 https://doi.org/10.22427/NTP-DATA-DTXSID5024681
ERPathway2016 ERPathway2016_1638 tert-Butylamine 75-64-9 DTXSID5024681 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)N tert-Butylamine 75-64-9|tert-Butylamine|1-Amino-1,1-dimethylethane|1,1-Dimethylethanamine|1,1-Dimethylethylamine|2-Amino-2-methylpropane|2-Aminoisobutane|2-Methyl-2-aminopropane|2-Methyl-2-propanamine|2-Methyl-2-propylamine|2-Propanamine, 2-methyl-|Butylamine, tert|Butylamine, tertiary|EINECS 200-888-1|Erbumine|N-tert-Butylamine|NSC 9571|t-Butylamine|terc-butilamina|TERT-BUTYL AMINE|tert-Butylamin|TERTIARY-BUTYLAMINE|Trimethylaminomethane|UNII-91Z53KF68U|94896-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024681 https://doi.org/10.22427/NTP-DATA-DTXSID5024681
ERPathway2016 ERPathway2016_1638 tert-Butylamine 75-64-9 DTXSID5024681 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)N tert-Butylamine 75-64-9|tert-Butylamine|1-Amino-1,1-dimethylethane|1,1-Dimethylethanamine|1,1-Dimethylethylamine|2-Amino-2-methylpropane|2-Aminoisobutane|2-Methyl-2-aminopropane|2-Methyl-2-propanamine|2-Methyl-2-propylamine|2-Propanamine, 2-methyl-|Butylamine, tert|Butylamine, tertiary|EINECS 200-888-1|Erbumine|N-tert-Butylamine|NSC 9571|t-Butylamine|terc-butilamina|TERT-BUTYL AMINE|tert-Butylamin|TERTIARY-BUTYLAMINE|Trimethylaminomethane|UNII-91Z53KF68U|94896-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024681 https://doi.org/10.22427/NTP-DATA-DTXSID5024681
ERPathway2016 ERPathway2016_1638 tert-Butylamine 75-64-9 DTXSID5024681 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)N tert-Butylamine 75-64-9|tert-Butylamine|1-Amino-1,1-dimethylethane|1,1-Dimethylethanamine|1,1-Dimethylethylamine|2-Amino-2-methylpropane|2-Aminoisobutane|2-Methyl-2-aminopropane|2-Methyl-2-propanamine|2-Methyl-2-propylamine|2-Propanamine, 2-methyl-|Butylamine, tert|Butylamine, tertiary|EINECS 200-888-1|Erbumine|N-tert-Butylamine|NSC 9571|t-Butylamine|terc-butilamina|TERT-BUTYL AMINE|tert-Butylamin|TERTIARY-BUTYLAMINE|Trimethylaminomethane|UNII-91Z53KF68U|94896-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024681 https://doi.org/10.22427/NTP-DATA-DTXSID5024681
ARPathway2016 ARPathway2016_1796 tert-Butylbenzene 98-06-6 DTXSID3047138 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC=CC=C1 tert-Butylbenzene 98-06-6|tert-Butylbenzene|(1,1-Dimethylethyl)benzene|1,1-Dimethylethylbenzene|2-Methyl-2-phenylpropane|Benzene, (1,1-dimethylethyl)-|Benzene, tert-butyl-|Dimethylethylbenzene|EINECS 202-632-4|NSC 6557|Phenyltrimethylmethane|Pseudobutylbenzene|t-Butylbenzene|terc-butilbenceno|tert-Butylbenzol|tertiary-Butylbenzene|Trimethylphenylmethane|UNII-M1R2NME7S2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047138
ARPathway2016 ARPathway2016_1796 tert-Butylbenzene 98-06-6 DTXSID3047138 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC=CC=C1 tert-Butylbenzene 98-06-6|tert-Butylbenzene|(1,1-Dimethylethyl)benzene|1,1-Dimethylethylbenzene|2-Methyl-2-phenylpropane|Benzene, (1,1-dimethylethyl)-|Benzene, tert-butyl-|Dimethylethylbenzene|EINECS 202-632-4|NSC 6557|Phenyltrimethylmethane|Pseudobutylbenzene|t-Butylbenzene|terc-butilbenceno|tert-Butylbenzol|tertiary-Butylbenzene|Trimethylphenylmethane|UNII-M1R2NME7S2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047138
ARPathway2016 ARPathway2016_1796 tert-Butylbenzene 98-06-6 DTXSID3047138 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC=CC=C1 tert-Butylbenzene 98-06-6|tert-Butylbenzene|(1,1-Dimethylethyl)benzene|1,1-Dimethylethylbenzene|2-Methyl-2-phenylpropane|Benzene, (1,1-dimethylethyl)-|Benzene, tert-butyl-|Dimethylethylbenzene|EINECS 202-632-4|NSC 6557|Phenyltrimethylmethane|Pseudobutylbenzene|t-Butylbenzene|terc-butilbenceno|tert-Butylbenzol|tertiary-Butylbenzene|Trimethylphenylmethane|UNII-M1R2NME7S2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047138
ARPathway2016 ARPathway2016_1796 tert-Butylbenzene 98-06-6 DTXSID3047138 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC=CC=C1 tert-Butylbenzene 98-06-6|tert-Butylbenzene|(1,1-Dimethylethyl)benzene|1,1-Dimethylethylbenzene|2-Methyl-2-phenylpropane|Benzene, (1,1-dimethylethyl)-|Benzene, tert-butyl-|Dimethylethylbenzene|EINECS 202-632-4|NSC 6557|Phenyltrimethylmethane|Pseudobutylbenzene|t-Butylbenzene|terc-butilbenceno|tert-Butylbenzol|tertiary-Butylbenzene|Trimethylphenylmethane|UNII-M1R2NME7S2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047138
ERPathway2016 ERPathway2016_1787 tert-Butylbenzene 98-06-6 DTXSID3047138 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC=CC=C1 tert-Butylbenzene 98-06-6|tert-Butylbenzene|(1,1-Dimethylethyl)benzene|1,1-Dimethylethylbenzene|2-Methyl-2-phenylpropane|Benzene, (1,1-dimethylethyl)-|Benzene, tert-butyl-|Dimethylethylbenzene|EINECS 202-632-4|NSC 6557|Phenyltrimethylmethane|Pseudobutylbenzene|t-Butylbenzene|terc-butilbenceno|tert-Butylbenzol|tertiary-Butylbenzene|Trimethylphenylmethane|UNII-M1R2NME7S2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047138
ERPathway2016 ERPathway2016_1787 tert-Butylbenzene 98-06-6 DTXSID3047138 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC=CC=C1 tert-Butylbenzene 98-06-6|tert-Butylbenzene|(1,1-Dimethylethyl)benzene|1,1-Dimethylethylbenzene|2-Methyl-2-phenylpropane|Benzene, (1,1-dimethylethyl)-|Benzene, tert-butyl-|Dimethylethylbenzene|EINECS 202-632-4|NSC 6557|Phenyltrimethylmethane|Pseudobutylbenzene|t-Butylbenzene|terc-butilbenceno|tert-Butylbenzol|tertiary-Butylbenzene|Trimethylphenylmethane|UNII-M1R2NME7S2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047138
ERPathway2016 ERPathway2016_1787 tert-Butylbenzene 98-06-6 DTXSID3047138 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC=CC=C1 tert-Butylbenzene 98-06-6|tert-Butylbenzene|(1,1-Dimethylethyl)benzene|1,1-Dimethylethylbenzene|2-Methyl-2-phenylpropane|Benzene, (1,1-dimethylethyl)-|Benzene, tert-butyl-|Dimethylethylbenzene|EINECS 202-632-4|NSC 6557|Phenyltrimethylmethane|Pseudobutylbenzene|t-Butylbenzene|terc-butilbenceno|tert-Butylbenzol|tertiary-Butylbenzene|Trimethylphenylmethane|UNII-M1R2NME7S2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047138
ERPathway2016 ERPathway2016_1787 tert-Butylbenzene 98-06-6 DTXSID3047138 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC=CC=C1 tert-Butylbenzene 98-06-6|tert-Butylbenzene|(1,1-Dimethylethyl)benzene|1,1-Dimethylethylbenzene|2-Methyl-2-phenylpropane|Benzene, (1,1-dimethylethyl)-|Benzene, tert-butyl-|Dimethylethylbenzene|EINECS 202-632-4|NSC 6557|Phenyltrimethylmethane|Pseudobutylbenzene|t-Butylbenzene|terc-butilbenceno|tert-Butylbenzol|tertiary-Butylbenzene|Trimethylphenylmethane|UNII-M1R2NME7S2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047138
ARPathway2016 ARPathway2016_102 tert-Butylhydroquinone 1948-33-0 DTXSID6020220 1.0 AR Pathway Model, Agonist AC50 29.2127984648094 uM CC(C)(C)C1=CC(O)=CC=C1O tert-Butylhydroquinone 1948-33-0|tert-Butylhydroquinone|1,4-Benzenediol (1,1-dimethylethyl)-|1,4-Benzenediol, 2-(1,1-dimethylethyl)-|2-(1,1-Dimethylethyl)-1,4-benzenediol|2-(1,1-Dimethylethyl)hydroquinone|2-(tert-Butyl)-p-hydroquinone|2-t-Butyl-1,4-benzenediol|2-t-Butylhydroquinone|2-terc-butilhidroquinona|2-tert-Butyl-1,4-benzenediol|2-tert-Butyl-1,4-dihydroxybenzene|2-tert-Butyl-1,4-hydroquinone|2-tert-Butyl(1,4)hydroquinone|2-tert-Butylhydrochinon|2-tert-Butylhydroquinone|2-Tertiary-butylhydroquinone|BRN 0637923|EINECS 217-752-2|HYDROQUINONE, T-BUTYL-|Hydroquinone, tert-butyl-|Mono-tert-butylhydroquinone|Mono-tertiarybutylhydroquinone|MONOTERTIARY BUTYL HYDROQUINONE|MTBHQ|NSC 4972|t-Butyl hydroquinone|t-Butylhydroquinone|tBHQ|Tenox TBHQ|TERT-BUTYL HYDROQUINONE|tert-Butyl-1,4-benzenediol|tert-Butyldihydroxybenzene|tert-Butylhydrochinone|TERT.-BUTYLHYDROCHINON|Tertiary butylhydroquinone|tertiary-Butylhydroquinone|UNII-C12674942B|123477-69-0|140627-33-4|29863-17-0|68816-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020220 https://doi.org/10.22427/NTP-DATA-DTXSID6020220
ARPathway2016 ARPathway2016_102 tert-Butylhydroquinone 1948-33-0 DTXSID6020220 1.0 AR Pathway Model, Agonist ACC 41.1169587807493 uM CC(C)(C)C1=CC(O)=CC=C1O tert-Butylhydroquinone 1948-33-0|tert-Butylhydroquinone|1,4-Benzenediol (1,1-dimethylethyl)-|1,4-Benzenediol, 2-(1,1-dimethylethyl)-|2-(1,1-Dimethylethyl)-1,4-benzenediol|2-(1,1-Dimethylethyl)hydroquinone|2-(tert-Butyl)-p-hydroquinone|2-t-Butyl-1,4-benzenediol|2-t-Butylhydroquinone|2-terc-butilhidroquinona|2-tert-Butyl-1,4-benzenediol|2-tert-Butyl-1,4-dihydroxybenzene|2-tert-Butyl-1,4-hydroquinone|2-tert-Butyl(1,4)hydroquinone|2-tert-Butylhydrochinon|2-tert-Butylhydroquinone|2-Tertiary-butylhydroquinone|BRN 0637923|EINECS 217-752-2|HYDROQUINONE, T-BUTYL-|Hydroquinone, tert-butyl-|Mono-tert-butylhydroquinone|Mono-tertiarybutylhydroquinone|MONOTERTIARY BUTYL HYDROQUINONE|MTBHQ|NSC 4972|t-Butyl hydroquinone|t-Butylhydroquinone|tBHQ|Tenox TBHQ|TERT-BUTYL HYDROQUINONE|tert-Butyl-1,4-benzenediol|tert-Butyldihydroxybenzene|tert-Butylhydrochinone|TERT.-BUTYLHYDROCHINON|Tertiary butylhydroquinone|tertiary-Butylhydroquinone|UNII-C12674942B|123477-69-0|140627-33-4|29863-17-0|68816-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020220 https://doi.org/10.22427/NTP-DATA-DTXSID6020220
ARPathway2016 ARPathway2016_102 tert-Butylhydroquinone 1948-33-0 DTXSID6020220 1.0 AR Pathway Model, Antagonist Model Score 0.0164 Unitless CC(C)(C)C1=CC(O)=CC=C1O tert-Butylhydroquinone 1948-33-0|tert-Butylhydroquinone|1,4-Benzenediol (1,1-dimethylethyl)-|1,4-Benzenediol, 2-(1,1-dimethylethyl)-|2-(1,1-Dimethylethyl)-1,4-benzenediol|2-(1,1-Dimethylethyl)hydroquinone|2-(tert-Butyl)-p-hydroquinone|2-t-Butyl-1,4-benzenediol|2-t-Butylhydroquinone|2-terc-butilhidroquinona|2-tert-Butyl-1,4-benzenediol|2-tert-Butyl-1,4-dihydroxybenzene|2-tert-Butyl-1,4-hydroquinone|2-tert-Butyl(1,4)hydroquinone|2-tert-Butylhydrochinon|2-tert-Butylhydroquinone|2-Tertiary-butylhydroquinone|BRN 0637923|EINECS 217-752-2|HYDROQUINONE, T-BUTYL-|Hydroquinone, tert-butyl-|Mono-tert-butylhydroquinone|Mono-tertiarybutylhydroquinone|MONOTERTIARY BUTYL HYDROQUINONE|MTBHQ|NSC 4972|t-Butyl hydroquinone|t-Butylhydroquinone|tBHQ|Tenox TBHQ|TERT-BUTYL HYDROQUINONE|tert-Butyl-1,4-benzenediol|tert-Butyldihydroxybenzene|tert-Butylhydrochinone|TERT.-BUTYLHYDROCHINON|Tertiary butylhydroquinone|tertiary-Butylhydroquinone|UNII-C12674942B|123477-69-0|140627-33-4|29863-17-0|68816-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020220 https://doi.org/10.22427/NTP-DATA-DTXSID6020220
ARPathway2016 ARPathway2016_102 tert-Butylhydroquinone 1948-33-0 DTXSID6020220 1.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C1=CC(O)=CC=C1O tert-Butylhydroquinone 1948-33-0|tert-Butylhydroquinone|1,4-Benzenediol (1,1-dimethylethyl)-|1,4-Benzenediol, 2-(1,1-dimethylethyl)-|2-(1,1-Dimethylethyl)-1,4-benzenediol|2-(1,1-Dimethylethyl)hydroquinone|2-(tert-Butyl)-p-hydroquinone|2-t-Butyl-1,4-benzenediol|2-t-Butylhydroquinone|2-terc-butilhidroquinona|2-tert-Butyl-1,4-benzenediol|2-tert-Butyl-1,4-dihydroxybenzene|2-tert-Butyl-1,4-hydroquinone|2-tert-Butyl(1,4)hydroquinone|2-tert-Butylhydrochinon|2-tert-Butylhydroquinone|2-Tertiary-butylhydroquinone|BRN 0637923|EINECS 217-752-2|HYDROQUINONE, T-BUTYL-|Hydroquinone, tert-butyl-|Mono-tert-butylhydroquinone|Mono-tertiarybutylhydroquinone|MONOTERTIARY BUTYL HYDROQUINONE|MTBHQ|NSC 4972|t-Butyl hydroquinone|t-Butylhydroquinone|tBHQ|Tenox TBHQ|TERT-BUTYL HYDROQUINONE|tert-Butyl-1,4-benzenediol|tert-Butyldihydroxybenzene|tert-Butylhydrochinone|TERT.-BUTYLHYDROCHINON|Tertiary butylhydroquinone|tertiary-Butylhydroquinone|UNII-C12674942B|123477-69-0|140627-33-4|29863-17-0|68816-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020220 https://doi.org/10.22427/NTP-DATA-DTXSID6020220
ARPathway2016 ARPathway2016_102 tert-Butylhydroquinone 1948-33-0 DTXSID6020220 1.0 AR Pathway Model, Agonist Call Active Unitless CC(C)(C)C1=CC(O)=CC=C1O tert-Butylhydroquinone 1948-33-0|tert-Butylhydroquinone|1,4-Benzenediol (1,1-dimethylethyl)-|1,4-Benzenediol, 2-(1,1-dimethylethyl)-|2-(1,1-Dimethylethyl)-1,4-benzenediol|2-(1,1-Dimethylethyl)hydroquinone|2-(tert-Butyl)-p-hydroquinone|2-t-Butyl-1,4-benzenediol|2-t-Butylhydroquinone|2-terc-butilhidroquinona|2-tert-Butyl-1,4-benzenediol|2-tert-Butyl-1,4-dihydroxybenzene|2-tert-Butyl-1,4-hydroquinone|2-tert-Butyl(1,4)hydroquinone|2-tert-Butylhydrochinon|2-tert-Butylhydroquinone|2-Tertiary-butylhydroquinone|BRN 0637923|EINECS 217-752-2|HYDROQUINONE, T-BUTYL-|Hydroquinone, tert-butyl-|Mono-tert-butylhydroquinone|Mono-tertiarybutylhydroquinone|MONOTERTIARY BUTYL HYDROQUINONE|MTBHQ|NSC 4972|t-Butyl hydroquinone|t-Butylhydroquinone|tBHQ|Tenox TBHQ|TERT-BUTYL HYDROQUINONE|tert-Butyl-1,4-benzenediol|tert-Butyldihydroxybenzene|tert-Butylhydrochinone|TERT.-BUTYLHYDROCHINON|Tertiary butylhydroquinone|tertiary-Butylhydroquinone|UNII-C12674942B|123477-69-0|140627-33-4|29863-17-0|68816-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020220 https://doi.org/10.22427/NTP-DATA-DTXSID6020220
ARPathway2016 ARPathway2016_102 tert-Butylhydroquinone 1948-33-0 DTXSID6020220 1.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C1=CC(O)=CC=C1O tert-Butylhydroquinone 1948-33-0|tert-Butylhydroquinone|1,4-Benzenediol (1,1-dimethylethyl)-|1,4-Benzenediol, 2-(1,1-dimethylethyl)-|2-(1,1-Dimethylethyl)-1,4-benzenediol|2-(1,1-Dimethylethyl)hydroquinone|2-(tert-Butyl)-p-hydroquinone|2-t-Butyl-1,4-benzenediol|2-t-Butylhydroquinone|2-terc-butilhidroquinona|2-tert-Butyl-1,4-benzenediol|2-tert-Butyl-1,4-dihydroxybenzene|2-tert-Butyl-1,4-hydroquinone|2-tert-Butyl(1,4)hydroquinone|2-tert-Butylhydrochinon|2-tert-Butylhydroquinone|2-Tertiary-butylhydroquinone|BRN 0637923|EINECS 217-752-2|HYDROQUINONE, T-BUTYL-|Hydroquinone, tert-butyl-|Mono-tert-butylhydroquinone|Mono-tertiarybutylhydroquinone|MONOTERTIARY BUTYL HYDROQUINONE|MTBHQ|NSC 4972|t-Butyl hydroquinone|t-Butylhydroquinone|tBHQ|Tenox TBHQ|TERT-BUTYL HYDROQUINONE|tert-Butyl-1,4-benzenediol|tert-Butyldihydroxybenzene|tert-Butylhydrochinone|TERT.-BUTYLHYDROCHINON|Tertiary butylhydroquinone|tertiary-Butylhydroquinone|UNII-C12674942B|123477-69-0|140627-33-4|29863-17-0|68816-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020220 https://doi.org/10.22427/NTP-DATA-DTXSID6020220
ERPathway2016 ERPathway2016_469 tert-Butylhydroquinone 1948-33-0 DTXSID6020220 A12 ER Pathway Model, Antagonist AC50 48.2539301566622 uM CC(C)(C)C1=CC(O)=CC=C1O tert-Butylhydroquinone 1948-33-0|tert-Butylhydroquinone|1,4-Benzenediol (1,1-dimethylethyl)-|1,4-Benzenediol, 2-(1,1-dimethylethyl)-|2-(1,1-Dimethylethyl)-1,4-benzenediol|2-(1,1-Dimethylethyl)hydroquinone|2-(tert-Butyl)-p-hydroquinone|2-t-Butyl-1,4-benzenediol|2-t-Butylhydroquinone|2-terc-butilhidroquinona|2-tert-Butyl-1,4-benzenediol|2-tert-Butyl-1,4-dihydroxybenzene|2-tert-Butyl-1,4-hydroquinone|2-tert-Butyl(1,4)hydroquinone|2-tert-Butylhydrochinon|2-tert-Butylhydroquinone|2-Tertiary-butylhydroquinone|BRN 0637923|EINECS 217-752-2|HYDROQUINONE, T-BUTYL-|Hydroquinone, tert-butyl-|Mono-tert-butylhydroquinone|Mono-tertiarybutylhydroquinone|MONOTERTIARY BUTYL HYDROQUINONE|MTBHQ|NSC 4972|t-Butyl hydroquinone|t-Butylhydroquinone|tBHQ|Tenox TBHQ|TERT-BUTYL HYDROQUINONE|tert-Butyl-1,4-benzenediol|tert-Butyldihydroxybenzene|tert-Butylhydrochinone|TERT.-BUTYLHYDROCHINON|Tertiary butylhydroquinone|tertiary-Butylhydroquinone|UNII-C12674942B|123477-69-0|140627-33-4|29863-17-0|68816-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020220 https://doi.org/10.22427/NTP-DATA-DTXSID6020220
ERPathway2016 ERPathway2016_469 tert-Butylhydroquinone 1948-33-0 DTXSID6020220 A12 ER Pathway Model, Antagonist ACC 53.1811754076137 uM CC(C)(C)C1=CC(O)=CC=C1O tert-Butylhydroquinone 1948-33-0|tert-Butylhydroquinone|1,4-Benzenediol (1,1-dimethylethyl)-|1,4-Benzenediol, 2-(1,1-dimethylethyl)-|2-(1,1-Dimethylethyl)-1,4-benzenediol|2-(1,1-Dimethylethyl)hydroquinone|2-(tert-Butyl)-p-hydroquinone|2-t-Butyl-1,4-benzenediol|2-t-Butylhydroquinone|2-terc-butilhidroquinona|2-tert-Butyl-1,4-benzenediol|2-tert-Butyl-1,4-dihydroxybenzene|2-tert-Butyl-1,4-hydroquinone|2-tert-Butyl(1,4)hydroquinone|2-tert-Butylhydrochinon|2-tert-Butylhydroquinone|2-Tertiary-butylhydroquinone|BRN 0637923|EINECS 217-752-2|HYDROQUINONE, T-BUTYL-|Hydroquinone, tert-butyl-|Mono-tert-butylhydroquinone|Mono-tertiarybutylhydroquinone|MONOTERTIARY BUTYL HYDROQUINONE|MTBHQ|NSC 4972|t-Butyl hydroquinone|t-Butylhydroquinone|tBHQ|Tenox TBHQ|TERT-BUTYL HYDROQUINONE|tert-Butyl-1,4-benzenediol|tert-Butyldihydroxybenzene|tert-Butylhydrochinone|TERT.-BUTYLHYDROCHINON|Tertiary butylhydroquinone|tertiary-Butylhydroquinone|UNII-C12674942B|123477-69-0|140627-33-4|29863-17-0|68816-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020220 https://doi.org/10.22427/NTP-DATA-DTXSID6020220
ERPathway2016 ERPathway2016_469 tert-Butylhydroquinone 1948-33-0 DTXSID6020220 A12 ER Pathway Model, Agonist Model Score 0.00291 Unitless CC(C)(C)C1=CC(O)=CC=C1O tert-Butylhydroquinone 1948-33-0|tert-Butylhydroquinone|1,4-Benzenediol (1,1-dimethylethyl)-|1,4-Benzenediol, 2-(1,1-dimethylethyl)-|2-(1,1-Dimethylethyl)-1,4-benzenediol|2-(1,1-Dimethylethyl)hydroquinone|2-(tert-Butyl)-p-hydroquinone|2-t-Butyl-1,4-benzenediol|2-t-Butylhydroquinone|2-terc-butilhidroquinona|2-tert-Butyl-1,4-benzenediol|2-tert-Butyl-1,4-dihydroxybenzene|2-tert-Butyl-1,4-hydroquinone|2-tert-Butyl(1,4)hydroquinone|2-tert-Butylhydrochinon|2-tert-Butylhydroquinone|2-Tertiary-butylhydroquinone|BRN 0637923|EINECS 217-752-2|HYDROQUINONE, T-BUTYL-|Hydroquinone, tert-butyl-|Mono-tert-butylhydroquinone|Mono-tertiarybutylhydroquinone|MONOTERTIARY BUTYL HYDROQUINONE|MTBHQ|NSC 4972|t-Butyl hydroquinone|t-Butylhydroquinone|tBHQ|Tenox TBHQ|TERT-BUTYL HYDROQUINONE|tert-Butyl-1,4-benzenediol|tert-Butyldihydroxybenzene|tert-Butylhydrochinone|TERT.-BUTYLHYDROCHINON|Tertiary butylhydroquinone|tertiary-Butylhydroquinone|UNII-C12674942B|123477-69-0|140627-33-4|29863-17-0|68816-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020220 https://doi.org/10.22427/NTP-DATA-DTXSID6020220
ERPathway2016 ERPathway2016_469 tert-Butylhydroquinone 1948-33-0 DTXSID6020220 A12 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C1=CC(O)=CC=C1O tert-Butylhydroquinone 1948-33-0|tert-Butylhydroquinone|1,4-Benzenediol (1,1-dimethylethyl)-|1,4-Benzenediol, 2-(1,1-dimethylethyl)-|2-(1,1-Dimethylethyl)-1,4-benzenediol|2-(1,1-Dimethylethyl)hydroquinone|2-(tert-Butyl)-p-hydroquinone|2-t-Butyl-1,4-benzenediol|2-t-Butylhydroquinone|2-terc-butilhidroquinona|2-tert-Butyl-1,4-benzenediol|2-tert-Butyl-1,4-dihydroxybenzene|2-tert-Butyl-1,4-hydroquinone|2-tert-Butyl(1,4)hydroquinone|2-tert-Butylhydrochinon|2-tert-Butylhydroquinone|2-Tertiary-butylhydroquinone|BRN 0637923|EINECS 217-752-2|HYDROQUINONE, T-BUTYL-|Hydroquinone, tert-butyl-|Mono-tert-butylhydroquinone|Mono-tertiarybutylhydroquinone|MONOTERTIARY BUTYL HYDROQUINONE|MTBHQ|NSC 4972|t-Butyl hydroquinone|t-Butylhydroquinone|tBHQ|Tenox TBHQ|TERT-BUTYL HYDROQUINONE|tert-Butyl-1,4-benzenediol|tert-Butyldihydroxybenzene|tert-Butylhydrochinone|TERT.-BUTYLHYDROCHINON|Tertiary butylhydroquinone|tertiary-Butylhydroquinone|UNII-C12674942B|123477-69-0|140627-33-4|29863-17-0|68816-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020220 https://doi.org/10.22427/NTP-DATA-DTXSID6020220
ERPathway2016 ERPathway2016_469 tert-Butylhydroquinone 1948-33-0 DTXSID6020220 A12 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C1=CC(O)=CC=C1O tert-Butylhydroquinone 1948-33-0|tert-Butylhydroquinone|1,4-Benzenediol (1,1-dimethylethyl)-|1,4-Benzenediol, 2-(1,1-dimethylethyl)-|2-(1,1-Dimethylethyl)-1,4-benzenediol|2-(1,1-Dimethylethyl)hydroquinone|2-(tert-Butyl)-p-hydroquinone|2-t-Butyl-1,4-benzenediol|2-t-Butylhydroquinone|2-terc-butilhidroquinona|2-tert-Butyl-1,4-benzenediol|2-tert-Butyl-1,4-dihydroxybenzene|2-tert-Butyl-1,4-hydroquinone|2-tert-Butyl(1,4)hydroquinone|2-tert-Butylhydrochinon|2-tert-Butylhydroquinone|2-Tertiary-butylhydroquinone|BRN 0637923|EINECS 217-752-2|HYDROQUINONE, T-BUTYL-|Hydroquinone, tert-butyl-|Mono-tert-butylhydroquinone|Mono-tertiarybutylhydroquinone|MONOTERTIARY BUTYL HYDROQUINONE|MTBHQ|NSC 4972|t-Butyl hydroquinone|t-Butylhydroquinone|tBHQ|Tenox TBHQ|TERT-BUTYL HYDROQUINONE|tert-Butyl-1,4-benzenediol|tert-Butyldihydroxybenzene|tert-Butylhydrochinone|TERT.-BUTYLHYDROCHINON|Tertiary butylhydroquinone|tertiary-Butylhydroquinone|UNII-C12674942B|123477-69-0|140627-33-4|29863-17-0|68816-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020220 https://doi.org/10.22427/NTP-DATA-DTXSID6020220
ERPathway2016 ERPathway2016_469 tert-Butylhydroquinone 1948-33-0 DTXSID6020220 A12 ER Pathway Model, Antagonist Call Active Unitless CC(C)(C)C1=CC(O)=CC=C1O tert-Butylhydroquinone 1948-33-0|tert-Butylhydroquinone|1,4-Benzenediol (1,1-dimethylethyl)-|1,4-Benzenediol, 2-(1,1-dimethylethyl)-|2-(1,1-Dimethylethyl)-1,4-benzenediol|2-(1,1-Dimethylethyl)hydroquinone|2-(tert-Butyl)-p-hydroquinone|2-t-Butyl-1,4-benzenediol|2-t-Butylhydroquinone|2-terc-butilhidroquinona|2-tert-Butyl-1,4-benzenediol|2-tert-Butyl-1,4-dihydroxybenzene|2-tert-Butyl-1,4-hydroquinone|2-tert-Butyl(1,4)hydroquinone|2-tert-Butylhydrochinon|2-tert-Butylhydroquinone|2-Tertiary-butylhydroquinone|BRN 0637923|EINECS 217-752-2|HYDROQUINONE, T-BUTYL-|Hydroquinone, tert-butyl-|Mono-tert-butylhydroquinone|Mono-tertiarybutylhydroquinone|MONOTERTIARY BUTYL HYDROQUINONE|MTBHQ|NSC 4972|t-Butyl hydroquinone|t-Butylhydroquinone|tBHQ|Tenox TBHQ|TERT-BUTYL HYDROQUINONE|tert-Butyl-1,4-benzenediol|tert-Butyldihydroxybenzene|tert-Butylhydrochinone|TERT.-BUTYLHYDROCHINON|Tertiary butylhydroquinone|tertiary-Butylhydroquinone|UNII-C12674942B|123477-69-0|140627-33-4|29863-17-0|68816-56-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6020220 https://doi.org/10.22427/NTP-DATA-DTXSID6020220
ARPathway2016 ARPathway2016_1053 tert-Nonanethiol 25360-10-5 DTXSID4027868 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless tert-Nonanethiol 25360-10-5|tert-Nonanethiol|EINECS 246-896-9|tert-Nonyl mercaptan|11090-82-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027868
ARPathway2016 ARPathway2016_1053 tert-Nonanethiol 25360-10-5 DTXSID4027868 0.0 AR Pathway Model, Agonist Model Score 0 Unitless tert-Nonanethiol 25360-10-5|tert-Nonanethiol|EINECS 246-896-9|tert-Nonyl mercaptan|11090-82-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027868
ARPathway2016 ARPathway2016_1053 tert-Nonanethiol 25360-10-5 DTXSID4027868 0.0 AR Pathway Model, Agonist Call Inactive Unitless tert-Nonanethiol 25360-10-5|tert-Nonanethiol|EINECS 246-896-9|tert-Nonyl mercaptan|11090-82-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027868
ARPathway2016 ARPathway2016_1053 tert-Nonanethiol 25360-10-5 DTXSID4027868 0.0 AR Pathway Model, Antagonist Call Inactive Unitless tert-Nonanethiol 25360-10-5|tert-Nonanethiol|EINECS 246-896-9|tert-Nonyl mercaptan|11090-82-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027868
ERPathway2016 ERPathway2016_1404 tert-Nonanethiol 25360-10-5 DTXSID4027868 ER Pathway Model, Agonist Model Score 0 Unitless tert-Nonanethiol 25360-10-5|tert-Nonanethiol|EINECS 246-896-9|tert-Nonyl mercaptan|11090-82-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027868
ERPathway2016 ERPathway2016_1404 tert-Nonanethiol 25360-10-5 DTXSID4027868 ER Pathway Model, Antagonist Model Score 0 Unitless tert-Nonanethiol 25360-10-5|tert-Nonanethiol|EINECS 246-896-9|tert-Nonyl mercaptan|11090-82-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027868
ERPathway2016 ERPathway2016_1404 tert-Nonanethiol 25360-10-5 DTXSID4027868 ER Pathway Model, Agonist Call Inactive Unitless tert-Nonanethiol 25360-10-5|tert-Nonanethiol|EINECS 246-896-9|tert-Nonyl mercaptan|11090-82-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027868
ERPathway2016 ERPathway2016_1404 tert-Nonanethiol 25360-10-5 DTXSID4027868 ER Pathway Model, Antagonist Call Inactive Unitless tert-Nonanethiol 25360-10-5|tert-Nonanethiol|EINECS 246-896-9|tert-Nonyl mercaptan|11090-82-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4027868
ARPathway2016 ARPathway2016_373 Testosterone propionate 57-85-2 DTXSID9036515 1.0 Agonist AR Pathway Model, Antagonist ACC 0.003978688 uM [H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Testosterone propionate 57-85-2|Testosterone propionate|(17b)-17-(1-oxopropoxy)-androst-4-en-3-one|17beta-(Propionyloxy)androst-4-en-3-one|17beta-Hydroxy-4-androsten-3-one 17-propionate|17beta-Hydroxyandrost-4-en-3-one propionate|17beta-Hydroxyandrost-4-en-3-one-17beta-propionate|17b-(Propionyloxy)androst-4-en-3-one|17b-Hydroxy-4-androsten-3-one 17-propionate|17b-Hydroxyandrost-4-en-3-one propionate|17b-Hydroxyandrost-4-en-3-one-17b-propionate|200-351-1|Agovirin|Androlon|Andronate|Androst-4-en-3-one, 17-(1-oxopropoxy)-, (17b)-|Androst-4-en-3-one, 17beta-hydroxy-, propionate|Androsteston|Androtest P|Androteston|Andrusol-P|Aquaviron|Bio-testiculina|delta(sup 4)-Androstene-17-beta-propionate-3-one|EC No.: 200-351-1|EINECS 200-351-1|Enarmon|Enarmon-oil|Hormoteston|Masenate|neo-Hombreol|NSC 9166|Okasa-Mascul|Orchiol|Orchisterone|Orchistin|Oreton propionate|Pantestin|Primotestone|Propiokan|Propionate de testosterone|propionato de testosterona|Recthormone testosterone|Solvotest|Sterandryl|Synandrol|Synerone|Telipex|Testaform|Testodet|Testodrin|Testogen|Testolets|T|1050678-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036515
ARPathway2016 ARPathway2016_373 Testosterone propionate 57-85-2 DTXSID9036515 1.0 Agonist AR Pathway Model, Antagonist AC50 0.013499099 uM [H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Testosterone propionate 57-85-2|Testosterone propionate|(17b)-17-(1-oxopropoxy)-androst-4-en-3-one|17beta-(Propionyloxy)androst-4-en-3-one|17beta-Hydroxy-4-androsten-3-one 17-propionate|17beta-Hydroxyandrost-4-en-3-one propionate|17beta-Hydroxyandrost-4-en-3-one-17beta-propionate|17b-(Propionyloxy)androst-4-en-3-one|17b-Hydroxy-4-androsten-3-one 17-propionate|17b-Hydroxyandrost-4-en-3-one propionate|17b-Hydroxyandrost-4-en-3-one-17b-propionate|200-351-1|Agovirin|Androlon|Andronate|Androst-4-en-3-one, 17-(1-oxopropoxy)-, (17b)-|Androst-4-en-3-one, 17beta-hydroxy-, propionate|Androsteston|Androtest P|Androteston|Andrusol-P|Aquaviron|Bio-testiculina|delta(sup 4)-Androstene-17-beta-propionate-3-one|EC No.: 200-351-1|EINECS 200-351-1|Enarmon|Enarmon-oil|Hormoteston|Masenate|neo-Hombreol|NSC 9166|Okasa-Mascul|Orchiol|Orchisterone|Orchistin|Oreton propionate|Pantestin|Primotestone|Propiokan|Propionate de testosterone|propionato de testosterona|Recthormone testosterone|Solvotest|Sterandryl|Synandrol|Synerone|Telipex|Testaform|Testodet|Testodrin|Testogen|Testolets|T|1050678-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036515
ARPathway2016 ARPathway2016_373 Testosterone propionate 57-85-2 DTXSID9036515 1.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Testosterone propionate 57-85-2|Testosterone propionate|(17b)-17-(1-oxopropoxy)-androst-4-en-3-one|17beta-(Propionyloxy)androst-4-en-3-one|17beta-Hydroxy-4-androsten-3-one 17-propionate|17beta-Hydroxyandrost-4-en-3-one propionate|17beta-Hydroxyandrost-4-en-3-one-17beta-propionate|17b-(Propionyloxy)androst-4-en-3-one|17b-Hydroxy-4-androsten-3-one 17-propionate|17b-Hydroxyandrost-4-en-3-one propionate|17b-Hydroxyandrost-4-en-3-one-17b-propionate|200-351-1|Agovirin|Androlon|Andronate|Androst-4-en-3-one, 17-(1-oxopropoxy)-, (17b)-|Androst-4-en-3-one, 17beta-hydroxy-, propionate|Androsteston|Androtest P|Androteston|Andrusol-P|Aquaviron|Bio-testiculina|delta(sup 4)-Androstene-17-beta-propionate-3-one|EC No.: 200-351-1|EINECS 200-351-1|Enarmon|Enarmon-oil|Hormoteston|Masenate|neo-Hombreol|NSC 9166|Okasa-Mascul|Orchiol|Orchisterone|Orchistin|Oreton propionate|Pantestin|Primotestone|Propiokan|Propionate de testosterone|propionato de testosterona|Recthormone testosterone|Solvotest|Sterandryl|Synandrol|Synerone|Telipex|Testaform|Testodet|Testodrin|Testogen|Testolets|T|1050678-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036515
ARPathway2016 ARPathway2016_373 Testosterone propionate 57-85-2 DTXSID9036515 1.0 Agonist AR Pathway Model, Agonist Model Score 1.53 Unitless [H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Testosterone propionate 57-85-2|Testosterone propionate|(17b)-17-(1-oxopropoxy)-androst-4-en-3-one|17beta-(Propionyloxy)androst-4-en-3-one|17beta-Hydroxy-4-androsten-3-one 17-propionate|17beta-Hydroxyandrost-4-en-3-one propionate|17beta-Hydroxyandrost-4-en-3-one-17beta-propionate|17b-(Propionyloxy)androst-4-en-3-one|17b-Hydroxy-4-androsten-3-one 17-propionate|17b-Hydroxyandrost-4-en-3-one propionate|17b-Hydroxyandrost-4-en-3-one-17b-propionate|200-351-1|Agovirin|Androlon|Andronate|Androst-4-en-3-one, 17-(1-oxopropoxy)-, (17b)-|Androst-4-en-3-one, 17beta-hydroxy-, propionate|Androsteston|Androtest P|Androteston|Andrusol-P|Aquaviron|Bio-testiculina|delta(sup 4)-Androstene-17-beta-propionate-3-one|EC No.: 200-351-1|EINECS 200-351-1|Enarmon|Enarmon-oil|Hormoteston|Masenate|neo-Hombreol|NSC 9166|Okasa-Mascul|Orchiol|Orchisterone|Orchistin|Oreton propionate|Pantestin|Primotestone|Propiokan|Propionate de testosterone|propionato de testosterona|Recthormone testosterone|Solvotest|Sterandryl|Synandrol|Synerone|Telipex|Testaform|Testodet|Testodrin|Testogen|Testolets|T|1050678-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036515
ARPathway2016 ARPathway2016_373 Testosterone propionate 57-85-2 DTXSID9036515 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Testosterone propionate 57-85-2|Testosterone propionate|(17b)-17-(1-oxopropoxy)-androst-4-en-3-one|17beta-(Propionyloxy)androst-4-en-3-one|17beta-Hydroxy-4-androsten-3-one 17-propionate|17beta-Hydroxyandrost-4-en-3-one propionate|17beta-Hydroxyandrost-4-en-3-one-17beta-propionate|17b-(Propionyloxy)androst-4-en-3-one|17b-Hydroxy-4-androsten-3-one 17-propionate|17b-Hydroxyandrost-4-en-3-one propionate|17b-Hydroxyandrost-4-en-3-one-17b-propionate|200-351-1|Agovirin|Androlon|Andronate|Androst-4-en-3-one, 17-(1-oxopropoxy)-, (17b)-|Androst-4-en-3-one, 17beta-hydroxy-, propionate|Androsteston|Androtest P|Androteston|Andrusol-P|Aquaviron|Bio-testiculina|delta(sup 4)-Androstene-17-beta-propionate-3-one|EC No.: 200-351-1|EINECS 200-351-1|Enarmon|Enarmon-oil|Hormoteston|Masenate|neo-Hombreol|NSC 9166|Okasa-Mascul|Orchiol|Orchisterone|Orchistin|Oreton propionate|Pantestin|Primotestone|Propiokan|Propionate de testosterone|propionato de testosterona|Recthormone testosterone|Solvotest|Sterandryl|Synandrol|Synerone|Telipex|Testaform|Testodet|Testodrin|Testogen|Testolets|T|1050678-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036515
ARPathway2016 ARPathway2016_373 Testosterone propionate 57-85-2 DTXSID9036515 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Testosterone propionate 57-85-2|Testosterone propionate|(17b)-17-(1-oxopropoxy)-androst-4-en-3-one|17beta-(Propionyloxy)androst-4-en-3-one|17beta-Hydroxy-4-androsten-3-one 17-propionate|17beta-Hydroxyandrost-4-en-3-one propionate|17beta-Hydroxyandrost-4-en-3-one-17beta-propionate|17b-(Propionyloxy)androst-4-en-3-one|17b-Hydroxy-4-androsten-3-one 17-propionate|17b-Hydroxyandrost-4-en-3-one propionate|17b-Hydroxyandrost-4-en-3-one-17b-propionate|200-351-1|Agovirin|Androlon|Andronate|Androst-4-en-3-one, 17-(1-oxopropoxy)-, (17b)-|Androst-4-en-3-one, 17beta-hydroxy-, propionate|Androsteston|Androtest P|Androteston|Andrusol-P|Aquaviron|Bio-testiculina|delta(sup 4)-Androstene-17-beta-propionate-3-one|EC No.: 200-351-1|EINECS 200-351-1|Enarmon|Enarmon-oil|Hormoteston|Masenate|neo-Hombreol|NSC 9166|Okasa-Mascul|Orchiol|Orchisterone|Orchistin|Oreton propionate|Pantestin|Primotestone|Propiokan|Propionate de testosterone|propionato de testosterona|Recthormone testosterone|Solvotest|Sterandryl|Synandrol|Synerone|Telipex|Testaform|Testodet|Testodrin|Testogen|Testolets|T|1050678-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036515
ERPathway2016 ERPathway2016_171 Testosterone propionate 57-85-2 DTXSID9036515 Agonist ER Pathway Model, Antagonist AC50 3.36064819802889 uM [H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Testosterone propionate 57-85-2|Testosterone propionate|(17b)-17-(1-oxopropoxy)-androst-4-en-3-one|17beta-(Propionyloxy)androst-4-en-3-one|17beta-Hydroxy-4-androsten-3-one 17-propionate|17beta-Hydroxyandrost-4-en-3-one propionate|17beta-Hydroxyandrost-4-en-3-one-17beta-propionate|17b-(Propionyloxy)androst-4-en-3-one|17b-Hydroxy-4-androsten-3-one 17-propionate|17b-Hydroxyandrost-4-en-3-one propionate|17b-Hydroxyandrost-4-en-3-one-17b-propionate|200-351-1|Agovirin|Androlon|Andronate|Androst-4-en-3-one, 17-(1-oxopropoxy)-, (17b)-|Androst-4-en-3-one, 17beta-hydroxy-, propionate|Androsteston|Androtest P|Androteston|Andrusol-P|Aquaviron|Bio-testiculina|delta(sup 4)-Androstene-17-beta-propionate-3-one|EC No.: 200-351-1|EINECS 200-351-1|Enarmon|Enarmon-oil|Hormoteston|Masenate|neo-Hombreol|NSC 9166|Okasa-Mascul|Orchiol|Orchisterone|Orchistin|Oreton propionate|Pantestin|Primotestone|Propiokan|Propionate de testosterone|propionato de testosterona|Recthormone testosterone|Solvotest|Sterandryl|Synandrol|Synerone|Telipex|Testaform|Testodet|Testodrin|Testogen|Testolets|T|1050678-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036515
ERPathway2016 ERPathway2016_171 Testosterone propionate 57-85-2 DTXSID9036515 Agonist ER Pathway Model, Antagonist ACC 1.70163374801206 uM [H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Testosterone propionate 57-85-2|Testosterone propionate|(17b)-17-(1-oxopropoxy)-androst-4-en-3-one|17beta-(Propionyloxy)androst-4-en-3-one|17beta-Hydroxy-4-androsten-3-one 17-propionate|17beta-Hydroxyandrost-4-en-3-one propionate|17beta-Hydroxyandrost-4-en-3-one-17beta-propionate|17b-(Propionyloxy)androst-4-en-3-one|17b-Hydroxy-4-androsten-3-one 17-propionate|17b-Hydroxyandrost-4-en-3-one propionate|17b-Hydroxyandrost-4-en-3-one-17b-propionate|200-351-1|Agovirin|Androlon|Andronate|Androst-4-en-3-one, 17-(1-oxopropoxy)-, (17b)-|Androst-4-en-3-one, 17beta-hydroxy-, propionate|Androsteston|Androtest P|Androteston|Andrusol-P|Aquaviron|Bio-testiculina|delta(sup 4)-Androstene-17-beta-propionate-3-one|EC No.: 200-351-1|EINECS 200-351-1|Enarmon|Enarmon-oil|Hormoteston|Masenate|neo-Hombreol|NSC 9166|Okasa-Mascul|Orchiol|Orchisterone|Orchistin|Oreton propionate|Pantestin|Primotestone|Propiokan|Propionate de testosterone|propionato de testosterona|Recthormone testosterone|Solvotest|Sterandryl|Synandrol|Synerone|Telipex|Testaform|Testodet|Testodrin|Testogen|Testolets|T|1050678-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036515
ERPathway2016 ERPathway2016_171 Testosterone propionate 57-85-2 DTXSID9036515 Agonist ER Pathway Model, Agonist Model Score 0.392 Unitless [H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Testosterone propionate 57-85-2|Testosterone propionate|(17b)-17-(1-oxopropoxy)-androst-4-en-3-one|17beta-(Propionyloxy)androst-4-en-3-one|17beta-Hydroxy-4-androsten-3-one 17-propionate|17beta-Hydroxyandrost-4-en-3-one propionate|17beta-Hydroxyandrost-4-en-3-one-17beta-propionate|17b-(Propionyloxy)androst-4-en-3-one|17b-Hydroxy-4-androsten-3-one 17-propionate|17b-Hydroxyandrost-4-en-3-one propionate|17b-Hydroxyandrost-4-en-3-one-17b-propionate|200-351-1|Agovirin|Androlon|Andronate|Androst-4-en-3-one, 17-(1-oxopropoxy)-, (17b)-|Androst-4-en-3-one, 17beta-hydroxy-, propionate|Androsteston|Androtest P|Androteston|Andrusol-P|Aquaviron|Bio-testiculina|delta(sup 4)-Androstene-17-beta-propionate-3-one|EC No.: 200-351-1|EINECS 200-351-1|Enarmon|Enarmon-oil|Hormoteston|Masenate|neo-Hombreol|NSC 9166|Okasa-Mascul|Orchiol|Orchisterone|Orchistin|Oreton propionate|Pantestin|Primotestone|Propiokan|Propionate de testosterone|propionato de testosterona|Recthormone testosterone|Solvotest|Sterandryl|Synandrol|Synerone|Telipex|Testaform|Testodet|Testodrin|Testogen|Testolets|T|1050678-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036515
ERPathway2016 ERPathway2016_171 Testosterone propionate 57-85-2 DTXSID9036515 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Testosterone propionate 57-85-2|Testosterone propionate|(17b)-17-(1-oxopropoxy)-androst-4-en-3-one|17beta-(Propionyloxy)androst-4-en-3-one|17beta-Hydroxy-4-androsten-3-one 17-propionate|17beta-Hydroxyandrost-4-en-3-one propionate|17beta-Hydroxyandrost-4-en-3-one-17beta-propionate|17b-(Propionyloxy)androst-4-en-3-one|17b-Hydroxy-4-androsten-3-one 17-propionate|17b-Hydroxyandrost-4-en-3-one propionate|17b-Hydroxyandrost-4-en-3-one-17b-propionate|200-351-1|Agovirin|Androlon|Andronate|Androst-4-en-3-one, 17-(1-oxopropoxy)-, (17b)-|Androst-4-en-3-one, 17beta-hydroxy-, propionate|Androsteston|Androtest P|Androteston|Andrusol-P|Aquaviron|Bio-testiculina|delta(sup 4)-Androstene-17-beta-propionate-3-one|EC No.: 200-351-1|EINECS 200-351-1|Enarmon|Enarmon-oil|Hormoteston|Masenate|neo-Hombreol|NSC 9166|Okasa-Mascul|Orchiol|Orchisterone|Orchistin|Oreton propionate|Pantestin|Primotestone|Propiokan|Propionate de testosterone|propionato de testosterona|Recthormone testosterone|Solvotest|Sterandryl|Synandrol|Synerone|Telipex|Testaform|Testodet|Testodrin|Testogen|Testolets|T|1050678-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036515
ERPathway2016 ERPathway2016_171 Testosterone propionate 57-85-2 DTXSID9036515 Agonist ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Testosterone propionate 57-85-2|Testosterone propionate|(17b)-17-(1-oxopropoxy)-androst-4-en-3-one|17beta-(Propionyloxy)androst-4-en-3-one|17beta-Hydroxy-4-androsten-3-one 17-propionate|17beta-Hydroxyandrost-4-en-3-one propionate|17beta-Hydroxyandrost-4-en-3-one-17beta-propionate|17b-(Propionyloxy)androst-4-en-3-one|17b-Hydroxy-4-androsten-3-one 17-propionate|17b-Hydroxyandrost-4-en-3-one propionate|17b-Hydroxyandrost-4-en-3-one-17b-propionate|200-351-1|Agovirin|Androlon|Andronate|Androst-4-en-3-one, 17-(1-oxopropoxy)-, (17b)-|Androst-4-en-3-one, 17beta-hydroxy-, propionate|Androsteston|Androtest P|Androteston|Andrusol-P|Aquaviron|Bio-testiculina|delta(sup 4)-Androstene-17-beta-propionate-3-one|EC No.: 200-351-1|EINECS 200-351-1|Enarmon|Enarmon-oil|Hormoteston|Masenate|neo-Hombreol|NSC 9166|Okasa-Mascul|Orchiol|Orchisterone|Orchistin|Oreton propionate|Pantestin|Primotestone|Propiokan|Propionate de testosterone|propionato de testosterona|Recthormone testosterone|Solvotest|Sterandryl|Synandrol|Synerone|Telipex|Testaform|Testodet|Testodrin|Testogen|Testolets|T|1050678-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036515
ERPathway2016 ERPathway2016_171 Testosterone propionate 57-85-2 DTXSID9036515 Agonist ER Pathway Model, Antagonist Call Active Unitless [H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C Testosterone propionate 57-85-2|Testosterone propionate|(17b)-17-(1-oxopropoxy)-androst-4-en-3-one|17beta-(Propionyloxy)androst-4-en-3-one|17beta-Hydroxy-4-androsten-3-one 17-propionate|17beta-Hydroxyandrost-4-en-3-one propionate|17beta-Hydroxyandrost-4-en-3-one-17beta-propionate|17b-(Propionyloxy)androst-4-en-3-one|17b-Hydroxy-4-androsten-3-one 17-propionate|17b-Hydroxyandrost-4-en-3-one propionate|17b-Hydroxyandrost-4-en-3-one-17b-propionate|200-351-1|Agovirin|Androlon|Andronate|Androst-4-en-3-one, 17-(1-oxopropoxy)-, (17b)-|Androst-4-en-3-one, 17beta-hydroxy-, propionate|Androsteston|Androtest P|Androteston|Andrusol-P|Aquaviron|Bio-testiculina|delta(sup 4)-Androstene-17-beta-propionate-3-one|EC No.: 200-351-1|EINECS 200-351-1|Enarmon|Enarmon-oil|Hormoteston|Masenate|neo-Hombreol|NSC 9166|Okasa-Mascul|Orchiol|Orchisterone|Orchistin|Oreton propionate|Pantestin|Primotestone|Propiokan|Propionate de testosterone|propionato de testosterona|Recthormone testosterone|Solvotest|Sterandryl|Synandrol|Synerone|Telipex|Testaform|Testodet|Testodrin|Testogen|Testolets|T|1050678-75-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9036515
ARPathway2016 ARPathway2016_78 Tetrabutyltin 1461-25-2 DTXSID4022153 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 19.4196867691523 uM CCCC[Sn](CCCC)(CCCC)CCCC Tetrabutyltin 1461-25-2|Tetrabutyltin|BRN 3648237|EINECS 215-960-8|NSC 22330|NSC 28131|NSC 65524|stannane, tetrabutyl-|Tetra-n-butylcin|Tetra-n-butylstannane|Tetra-n-butyltin|tetrabutilesta no|Tetrabutyl tin|tetrabutyletain|TETRABUTYLSTANNAN|Tetrabutylstannane|Tetrabutyltin(IV)|Tetrabutylzinn|Tin, tetrabutyl-|UNII-QJ7Y5V377V https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022153
ARPathway2016 ARPathway2016_78 Tetrabutyltin 1461-25-2 DTXSID4022153 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 14.730055860391 uM CCCC[Sn](CCCC)(CCCC)CCCC Tetrabutyltin 1461-25-2|Tetrabutyltin|BRN 3648237|EINECS 215-960-8|NSC 22330|NSC 28131|NSC 65524|stannane, tetrabutyl-|Tetra-n-butylcin|Tetra-n-butylstannane|Tetra-n-butyltin|tetrabutilesta no|Tetrabutyl tin|tetrabutyletain|TETRABUTYLSTANNAN|Tetrabutylstannane|Tetrabutyltin(IV)|Tetrabutylzinn|Tin, tetrabutyl-|UNII-QJ7Y5V377V https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022153
ARPathway2016 ARPathway2016_78 Tetrabutyltin 1461-25-2 DTXSID4022153 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.282 Unitless CCCC[Sn](CCCC)(CCCC)CCCC Tetrabutyltin 1461-25-2|Tetrabutyltin|BRN 3648237|EINECS 215-960-8|NSC 22330|NSC 28131|NSC 65524|stannane, tetrabutyl-|Tetra-n-butylcin|Tetra-n-butylstannane|Tetra-n-butyltin|tetrabutilesta no|Tetrabutyl tin|tetrabutyletain|TETRABUTYLSTANNAN|Tetrabutylstannane|Tetrabutyltin(IV)|Tetrabutylzinn|Tin, tetrabutyl-|UNII-QJ7Y5V377V https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022153
ARPathway2016 ARPathway2016_78 Tetrabutyltin 1461-25-2 DTXSID4022153 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCC[Sn](CCCC)(CCCC)CCCC Tetrabutyltin 1461-25-2|Tetrabutyltin|BRN 3648237|EINECS 215-960-8|NSC 22330|NSC 28131|NSC 65524|stannane, tetrabutyl-|Tetra-n-butylcin|Tetra-n-butylstannane|Tetra-n-butyltin|tetrabutilesta no|Tetrabutyl tin|tetrabutyletain|TETRABUTYLSTANNAN|Tetrabutylstannane|Tetrabutyltin(IV)|Tetrabutylzinn|Tin, tetrabutyl-|UNII-QJ7Y5V377V https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022153
ARPathway2016 ARPathway2016_78 Tetrabutyltin 1461-25-2 DTXSID4022153 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCC[Sn](CCCC)(CCCC)CCCC Tetrabutyltin 1461-25-2|Tetrabutyltin|BRN 3648237|EINECS 215-960-8|NSC 22330|NSC 28131|NSC 65524|stannane, tetrabutyl-|Tetra-n-butylcin|Tetra-n-butylstannane|Tetra-n-butyltin|tetrabutilesta no|Tetrabutyl tin|tetrabutyletain|TETRABUTYLSTANNAN|Tetrabutylstannane|Tetrabutyltin(IV)|Tetrabutylzinn|Tin, tetrabutyl-|UNII-QJ7Y5V377V https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022153
ARPathway2016 ARPathway2016_78 Tetrabutyltin 1461-25-2 DTXSID4022153 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCC[Sn](CCCC)(CCCC)CCCC Tetrabutyltin 1461-25-2|Tetrabutyltin|BRN 3648237|EINECS 215-960-8|NSC 22330|NSC 28131|NSC 65524|stannane, tetrabutyl-|Tetra-n-butylcin|Tetra-n-butylstannane|Tetra-n-butyltin|tetrabutilesta no|Tetrabutyl tin|tetrabutyletain|TETRABUTYLSTANNAN|Tetrabutylstannane|Tetrabutyltin(IV)|Tetrabutylzinn|Tin, tetrabutyl-|UNII-QJ7Y5V377V https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022153
ERPathway2016 ERPathway2016_137 Tetrabutyltin 1461-25-2 DTXSID4022153 ER Pathway Model, Agonist AC50 7.69881592891818 uM CCCC[Sn](CCCC)(CCCC)CCCC Tetrabutyltin 1461-25-2|Tetrabutyltin|BRN 3648237|EINECS 215-960-8|NSC 22330|NSC 28131|NSC 65524|stannane, tetrabutyl-|Tetra-n-butylcin|Tetra-n-butylstannane|Tetra-n-butyltin|tetrabutilesta no|Tetrabutyl tin|tetrabutyletain|TETRABUTYLSTANNAN|Tetrabutylstannane|Tetrabutyltin(IV)|Tetrabutylzinn|Tin, tetrabutyl-|UNII-QJ7Y5V377V https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022153
ERPathway2016 ERPathway2016_137 Tetrabutyltin 1461-25-2 DTXSID4022153 ER Pathway Model, Agonist ACC 13.583625618709 uM CCCC[Sn](CCCC)(CCCC)CCCC Tetrabutyltin 1461-25-2|Tetrabutyltin|BRN 3648237|EINECS 215-960-8|NSC 22330|NSC 28131|NSC 65524|stannane, tetrabutyl-|Tetra-n-butylcin|Tetra-n-butylstannane|Tetra-n-butyltin|tetrabutilesta no|Tetrabutyl tin|tetrabutyletain|TETRABUTYLSTANNAN|Tetrabutylstannane|Tetrabutyltin(IV)|Tetrabutylzinn|Tin, tetrabutyl-|UNII-QJ7Y5V377V https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022153
ERPathway2016 ERPathway2016_137 Tetrabutyltin 1461-25-2 DTXSID4022153 ER Pathway Model, Agonist Model Score 0 Unitless CCCC[Sn](CCCC)(CCCC)CCCC Tetrabutyltin 1461-25-2|Tetrabutyltin|BRN 3648237|EINECS 215-960-8|NSC 22330|NSC 28131|NSC 65524|stannane, tetrabutyl-|Tetra-n-butylcin|Tetra-n-butylstannane|Tetra-n-butyltin|tetrabutilesta no|Tetrabutyl tin|tetrabutyletain|TETRABUTYLSTANNAN|Tetrabutylstannane|Tetrabutyltin(IV)|Tetrabutylzinn|Tin, tetrabutyl-|UNII-QJ7Y5V377V https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022153
ERPathway2016 ERPathway2016_137 Tetrabutyltin 1461-25-2 DTXSID4022153 ER Pathway Model, Antagonist Model Score 0.0101 Unitless CCCC[Sn](CCCC)(CCCC)CCCC Tetrabutyltin 1461-25-2|Tetrabutyltin|BRN 3648237|EINECS 215-960-8|NSC 22330|NSC 28131|NSC 65524|stannane, tetrabutyl-|Tetra-n-butylcin|Tetra-n-butylstannane|Tetra-n-butyltin|tetrabutilesta no|Tetrabutyl tin|tetrabutyletain|TETRABUTYLSTANNAN|Tetrabutylstannane|Tetrabutyltin(IV)|Tetrabutylzinn|Tin, tetrabutyl-|UNII-QJ7Y5V377V https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022153
ERPathway2016 ERPathway2016_137 Tetrabutyltin 1461-25-2 DTXSID4022153 ER Pathway Model, Agonist Call Active Unitless CCCC[Sn](CCCC)(CCCC)CCCC Tetrabutyltin 1461-25-2|Tetrabutyltin|BRN 3648237|EINECS 215-960-8|NSC 22330|NSC 28131|NSC 65524|stannane, tetrabutyl-|Tetra-n-butylcin|Tetra-n-butylstannane|Tetra-n-butyltin|tetrabutilesta no|Tetrabutyl tin|tetrabutyletain|TETRABUTYLSTANNAN|Tetrabutylstannane|Tetrabutyltin(IV)|Tetrabutylzinn|Tin, tetrabutyl-|UNII-QJ7Y5V377V https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022153
ERPathway2016 ERPathway2016_137 Tetrabutyltin 1461-25-2 DTXSID4022153 ER Pathway Model, Antagonist Call Inactive Unitless CCCC[Sn](CCCC)(CCCC)CCCC Tetrabutyltin 1461-25-2|Tetrabutyltin|BRN 3648237|EINECS 215-960-8|NSC 22330|NSC 28131|NSC 65524|stannane, tetrabutyl-|Tetra-n-butylcin|Tetra-n-butylstannane|Tetra-n-butyltin|tetrabutilesta no|Tetrabutyl tin|tetrabutyletain|TETRABUTYLSTANNAN|Tetrabutylstannane|Tetrabutyltin(IV)|Tetrabutylzinn|Tin, tetrabutyl-|UNII-QJ7Y5V377V https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022153
ARPathway2016 ARPathway2016_1471 Tetrac 67-30-1 DTXSID5048186 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1 Tetrac 67-30-1|Tetrac|3,3',5,5'-Tetraiodothyroacetic acid|3,5-Diiodo-4-(4-hydroxy-3,5-diiodophenoxy)benzeneacetic acid|3,5,3',5'-Tetraiodothyroacetic acid|4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzeneacetic acid|4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenylacetic acid|Acetic acid, [4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-|Acide 3,5,3',5'-tetraiodothyroacetique|Benzeneacetic acid, 4- (4- hydroxy- 3, 5- diiodophenoxy) - 3, 5- diiodo-|EINECS 200-649-1|Tetraiodothyroacetic acid|Thyroacetic acid, 3,3',5,5'-tetraiodo-|UNII-PA7UX1FFYQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048186
ARPathway2016 ARPathway2016_1471 Tetrac 67-30-1 DTXSID5048186 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1 Tetrac 67-30-1|Tetrac|3,3',5,5'-Tetraiodothyroacetic acid|3,5-Diiodo-4-(4-hydroxy-3,5-diiodophenoxy)benzeneacetic acid|3,5,3',5'-Tetraiodothyroacetic acid|4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzeneacetic acid|4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenylacetic acid|Acetic acid, [4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-|Acide 3,5,3',5'-tetraiodothyroacetique|Benzeneacetic acid, 4- (4- hydroxy- 3, 5- diiodophenoxy) - 3, 5- diiodo-|EINECS 200-649-1|Tetraiodothyroacetic acid|Thyroacetic acid, 3,3',5,5'-tetraiodo-|UNII-PA7UX1FFYQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048186
ARPathway2016 ARPathway2016_1471 Tetrac 67-30-1 DTXSID5048186 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1 Tetrac 67-30-1|Tetrac|3,3',5,5'-Tetraiodothyroacetic acid|3,5-Diiodo-4-(4-hydroxy-3,5-diiodophenoxy)benzeneacetic acid|3,5,3',5'-Tetraiodothyroacetic acid|4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzeneacetic acid|4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenylacetic acid|Acetic acid, [4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-|Acide 3,5,3',5'-tetraiodothyroacetique|Benzeneacetic acid, 4- (4- hydroxy- 3, 5- diiodophenoxy) - 3, 5- diiodo-|EINECS 200-649-1|Tetraiodothyroacetic acid|Thyroacetic acid, 3,3',5,5'-tetraiodo-|UNII-PA7UX1FFYQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048186
ARPathway2016 ARPathway2016_1471 Tetrac 67-30-1 DTXSID5048186 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1 Tetrac 67-30-1|Tetrac|3,3',5,5'-Tetraiodothyroacetic acid|3,5-Diiodo-4-(4-hydroxy-3,5-diiodophenoxy)benzeneacetic acid|3,5,3',5'-Tetraiodothyroacetic acid|4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzeneacetic acid|4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenylacetic acid|Acetic acid, [4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-|Acide 3,5,3',5'-tetraiodothyroacetique|Benzeneacetic acid, 4- (4- hydroxy- 3, 5- diiodophenoxy) - 3, 5- diiodo-|EINECS 200-649-1|Tetraiodothyroacetic acid|Thyroacetic acid, 3,3',5,5'-tetraiodo-|UNII-PA7UX1FFYQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048186
ERPathway2016 ERPathway2016_124 Tetrac 67-30-1 DTXSID5048186 ER Pathway Model, Agonist AC50 40.692826489824 uM OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1 Tetrac 67-30-1|Tetrac|3,3',5,5'-Tetraiodothyroacetic acid|3,5-Diiodo-4-(4-hydroxy-3,5-diiodophenoxy)benzeneacetic acid|3,5,3',5'-Tetraiodothyroacetic acid|4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzeneacetic acid|4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenylacetic acid|Acetic acid, [4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-|Acide 3,5,3',5'-tetraiodothyroacetique|Benzeneacetic acid, 4- (4- hydroxy- 3, 5- diiodophenoxy) - 3, 5- diiodo-|EINECS 200-649-1|Tetraiodothyroacetic acid|Thyroacetic acid, 3,3',5,5'-tetraiodo-|UNII-PA7UX1FFYQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048186
ERPathway2016 ERPathway2016_124 Tetrac 67-30-1 DTXSID5048186 ER Pathway Model, Agonist ACC 37.4091083118276 uM OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1 Tetrac 67-30-1|Tetrac|3,3',5,5'-Tetraiodothyroacetic acid|3,5-Diiodo-4-(4-hydroxy-3,5-diiodophenoxy)benzeneacetic acid|3,5,3',5'-Tetraiodothyroacetic acid|4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzeneacetic acid|4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenylacetic acid|Acetic acid, [4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-|Acide 3,5,3',5'-tetraiodothyroacetique|Benzeneacetic acid, 4- (4- hydroxy- 3, 5- diiodophenoxy) - 3, 5- diiodo-|EINECS 200-649-1|Tetraiodothyroacetic acid|Thyroacetic acid, 3,3',5,5'-tetraiodo-|UNII-PA7UX1FFYQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048186
ERPathway2016 ERPathway2016_124 Tetrac 67-30-1 DTXSID5048186 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1 Tetrac 67-30-1|Tetrac|3,3',5,5'-Tetraiodothyroacetic acid|3,5-Diiodo-4-(4-hydroxy-3,5-diiodophenoxy)benzeneacetic acid|3,5,3',5'-Tetraiodothyroacetic acid|4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzeneacetic acid|4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenylacetic acid|Acetic acid, [4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-|Acide 3,5,3',5'-tetraiodothyroacetique|Benzeneacetic acid, 4- (4- hydroxy- 3, 5- diiodophenoxy) - 3, 5- diiodo-|EINECS 200-649-1|Tetraiodothyroacetic acid|Thyroacetic acid, 3,3',5,5'-tetraiodo-|UNII-PA7UX1FFYQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048186
ERPathway2016 ERPathway2016_124 Tetrac 67-30-1 DTXSID5048186 ER Pathway Model, Antagonist Model Score 0.045 Unitless OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1 Tetrac 67-30-1|Tetrac|3,3',5,5'-Tetraiodothyroacetic acid|3,5-Diiodo-4-(4-hydroxy-3,5-diiodophenoxy)benzeneacetic acid|3,5,3',5'-Tetraiodothyroacetic acid|4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzeneacetic acid|4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenylacetic acid|Acetic acid, [4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-|Acide 3,5,3',5'-tetraiodothyroacetique|Benzeneacetic acid, 4- (4- hydroxy- 3, 5- diiodophenoxy) - 3, 5- diiodo-|EINECS 200-649-1|Tetraiodothyroacetic acid|Thyroacetic acid, 3,3',5,5'-tetraiodo-|UNII-PA7UX1FFYQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048186
ERPathway2016 ERPathway2016_124 Tetrac 67-30-1 DTXSID5048186 ER Pathway Model, Agonist Call Active Unitless OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1 Tetrac 67-30-1|Tetrac|3,3',5,5'-Tetraiodothyroacetic acid|3,5-Diiodo-4-(4-hydroxy-3,5-diiodophenoxy)benzeneacetic acid|3,5,3',5'-Tetraiodothyroacetic acid|4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzeneacetic acid|4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenylacetic acid|Acetic acid, [4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-|Acide 3,5,3',5'-tetraiodothyroacetique|Benzeneacetic acid, 4- (4- hydroxy- 3, 5- diiodophenoxy) - 3, 5- diiodo-|EINECS 200-649-1|Tetraiodothyroacetic acid|Thyroacetic acid, 3,3',5,5'-tetraiodo-|UNII-PA7UX1FFYQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048186
ERPathway2016 ERPathway2016_124 Tetrac 67-30-1 DTXSID5048186 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1 Tetrac 67-30-1|Tetrac|3,3',5,5'-Tetraiodothyroacetic acid|3,5-Diiodo-4-(4-hydroxy-3,5-diiodophenoxy)benzeneacetic acid|3,5,3',5'-Tetraiodothyroacetic acid|4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzeneacetic acid|4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenylacetic acid|Acetic acid, [4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-|Acide 3,5,3',5'-tetraiodothyroacetique|Benzeneacetic acid, 4- (4- hydroxy- 3, 5- diiodophenoxy) - 3, 5- diiodo-|EINECS 200-649-1|Tetraiodothyroacetic acid|Thyroacetic acid, 3,3',5,5'-tetraiodo-|UNII-PA7UX1FFYQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID5048186
ARPathway2016 ARPathway2016_635 Tetrachlorophthalic anhydride 117-08-8 DTXSID7026102 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=C2C(=O)OC(=O)C2=C(Cl)C(Cl)=C1Cl Tetrachlorophthalic anhydride 117-08-8|Tetrachlorophthalic anhydride|1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran|1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-|4,5,6,7-Tetrachloro-1,3-isobenzofurandione|5-17-11-00260|BRN 0211560|EINECS 204-171-4|etrachlorophthalic acid anhydride|NCI-C61585|Niagathal|NSC 1484|Tetrathal|UNII-76GLW0LBEK|204975-24-6|858829-10-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026102 https://doi.org/10.22427/NTP-DATA-DTXSID7026102
ARPathway2016 ARPathway2016_635 Tetrachlorophthalic anhydride 117-08-8 DTXSID7026102 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=C2C(=O)OC(=O)C2=C(Cl)C(Cl)=C1Cl Tetrachlorophthalic anhydride 117-08-8|Tetrachlorophthalic anhydride|1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran|1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-|4,5,6,7-Tetrachloro-1,3-isobenzofurandione|5-17-11-00260|BRN 0211560|EINECS 204-171-4|etrachlorophthalic acid anhydride|NCI-C61585|Niagathal|NSC 1484|Tetrathal|UNII-76GLW0LBEK|204975-24-6|858829-10-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026102 https://doi.org/10.22427/NTP-DATA-DTXSID7026102
ARPathway2016 ARPathway2016_635 Tetrachlorophthalic anhydride 117-08-8 DTXSID7026102 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC1=C2C(=O)OC(=O)C2=C(Cl)C(Cl)=C1Cl Tetrachlorophthalic anhydride 117-08-8|Tetrachlorophthalic anhydride|1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran|1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-|4,5,6,7-Tetrachloro-1,3-isobenzofurandione|5-17-11-00260|BRN 0211560|EINECS 204-171-4|etrachlorophthalic acid anhydride|NCI-C61585|Niagathal|NSC 1484|Tetrathal|UNII-76GLW0LBEK|204975-24-6|858829-10-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026102 https://doi.org/10.22427/NTP-DATA-DTXSID7026102
ARPathway2016 ARPathway2016_635 Tetrachlorophthalic anhydride 117-08-8 DTXSID7026102 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=C2C(=O)OC(=O)C2=C(Cl)C(Cl)=C1Cl Tetrachlorophthalic anhydride 117-08-8|Tetrachlorophthalic anhydride|1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran|1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-|4,5,6,7-Tetrachloro-1,3-isobenzofurandione|5-17-11-00260|BRN 0211560|EINECS 204-171-4|etrachlorophthalic acid anhydride|NCI-C61585|Niagathal|NSC 1484|Tetrathal|UNII-76GLW0LBEK|204975-24-6|858829-10-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026102 https://doi.org/10.22427/NTP-DATA-DTXSID7026102
ERPathway2016 ERPathway2016_1193 Tetrachlorophthalic anhydride 117-08-8 DTXSID7026102 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=C2C(=O)OC(=O)C2=C(Cl)C(Cl)=C1Cl Tetrachlorophthalic anhydride 117-08-8|Tetrachlorophthalic anhydride|1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran|1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-|4,5,6,7-Tetrachloro-1,3-isobenzofurandione|5-17-11-00260|BRN 0211560|EINECS 204-171-4|etrachlorophthalic acid anhydride|NCI-C61585|Niagathal|NSC 1484|Tetrathal|UNII-76GLW0LBEK|204975-24-6|858829-10-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026102 https://doi.org/10.22427/NTP-DATA-DTXSID7026102
ERPathway2016 ERPathway2016_1193 Tetrachlorophthalic anhydride 117-08-8 DTXSID7026102 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=C2C(=O)OC(=O)C2=C(Cl)C(Cl)=C1Cl Tetrachlorophthalic anhydride 117-08-8|Tetrachlorophthalic anhydride|1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran|1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-|4,5,6,7-Tetrachloro-1,3-isobenzofurandione|5-17-11-00260|BRN 0211560|EINECS 204-171-4|etrachlorophthalic acid anhydride|NCI-C61585|Niagathal|NSC 1484|Tetrathal|UNII-76GLW0LBEK|204975-24-6|858829-10-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026102 https://doi.org/10.22427/NTP-DATA-DTXSID7026102
ERPathway2016 ERPathway2016_1193 Tetrachlorophthalic anhydride 117-08-8 DTXSID7026102 ER Pathway Model, Agonist Call Inactive Unitless ClC1=C2C(=O)OC(=O)C2=C(Cl)C(Cl)=C1Cl Tetrachlorophthalic anhydride 117-08-8|Tetrachlorophthalic anhydride|1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran|1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-|4,5,6,7-Tetrachloro-1,3-isobenzofurandione|5-17-11-00260|BRN 0211560|EINECS 204-171-4|etrachlorophthalic acid anhydride|NCI-C61585|Niagathal|NSC 1484|Tetrathal|UNII-76GLW0LBEK|204975-24-6|858829-10-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026102 https://doi.org/10.22427/NTP-DATA-DTXSID7026102
ERPathway2016 ERPathway2016_1193 Tetrachlorophthalic anhydride 117-08-8 DTXSID7026102 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=C2C(=O)OC(=O)C2=C(Cl)C(Cl)=C1Cl Tetrachlorophthalic anhydride 117-08-8|Tetrachlorophthalic anhydride|1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran|1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-|4,5,6,7-Tetrachloro-1,3-isobenzofurandione|5-17-11-00260|BRN 0211560|EINECS 204-171-4|etrachlorophthalic acid anhydride|NCI-C61585|Niagathal|NSC 1484|Tetrathal|UNII-76GLW0LBEK|204975-24-6|858829-10-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026102 https://doi.org/10.22427/NTP-DATA-DTXSID7026102
ARPathway2016 ARPathway2016_19 Tetraconazole 112281-77-3 DTXSID8034956 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 22.5806648095321 uM FC(F)C(F)(F)OCC(CN1C=NC=N1)C1=C(Cl)C=C(Cl)C=C1 Tetraconazole 112281-77-3|Tetraconazole|(RS)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-Triazole-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether|1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2- tetrafluoroethoxy)propyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-, (+-)-|Eminent|M 14360|1135441-20-1|119615-64-4|124842-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034956
ARPathway2016 ARPathway2016_19 Tetraconazole 112281-77-3 DTXSID8034956 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 12.6091311169223 uM FC(F)C(F)(F)OCC(CN1C=NC=N1)C1=C(Cl)C=C(Cl)C=C1 Tetraconazole 112281-77-3|Tetraconazole|(RS)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-Triazole-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether|1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2- tetrafluoroethoxy)propyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-, (+-)-|Eminent|M 14360|1135441-20-1|119615-64-4|124842-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034956
ARPathway2016 ARPathway2016_19 Tetraconazole 112281-77-3 DTXSID8034956 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.409 Unitless FC(F)C(F)(F)OCC(CN1C=NC=N1)C1=C(Cl)C=C(Cl)C=C1 Tetraconazole 112281-77-3|Tetraconazole|(RS)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-Triazole-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether|1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2- tetrafluoroethoxy)propyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-, (+-)-|Eminent|M 14360|1135441-20-1|119615-64-4|124842-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034956
ARPathway2016 ARPathway2016_19 Tetraconazole 112281-77-3 DTXSID8034956 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless FC(F)C(F)(F)OCC(CN1C=NC=N1)C1=C(Cl)C=C(Cl)C=C1 Tetraconazole 112281-77-3|Tetraconazole|(RS)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-Triazole-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether|1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2- tetrafluoroethoxy)propyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-, (+-)-|Eminent|M 14360|1135441-20-1|119615-64-4|124842-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034956
ARPathway2016 ARPathway2016_19 Tetraconazole 112281-77-3 DTXSID8034956 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless FC(F)C(F)(F)OCC(CN1C=NC=N1)C1=C(Cl)C=C(Cl)C=C1 Tetraconazole 112281-77-3|Tetraconazole|(RS)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-Triazole-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether|1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2- tetrafluoroethoxy)propyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-, (+-)-|Eminent|M 14360|1135441-20-1|119615-64-4|124842-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034956
ARPathway2016 ARPathway2016_19 Tetraconazole 112281-77-3 DTXSID8034956 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless FC(F)C(F)(F)OCC(CN1C=NC=N1)C1=C(Cl)C=C(Cl)C=C1 Tetraconazole 112281-77-3|Tetraconazole|(RS)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-Triazole-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether|1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2- tetrafluoroethoxy)propyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-, (+-)-|Eminent|M 14360|1135441-20-1|119615-64-4|124842-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034956
ERPathway2016 ERPathway2016_85 Tetraconazole 112281-77-3 DTXSID8034956 ER Pathway Model, Agonist AC50 41.9013885040288 uM FC(F)C(F)(F)OCC(CN1C=NC=N1)C1=C(Cl)C=C(Cl)C=C1 Tetraconazole 112281-77-3|Tetraconazole|(RS)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-Triazole-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether|1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2- tetrafluoroethoxy)propyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-, (+-)-|Eminent|M 14360|1135441-20-1|119615-64-4|124842-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034956
ERPathway2016 ERPathway2016_85 Tetraconazole 112281-77-3 DTXSID8034956 ER Pathway Model, Agonist ACC 42.4000056904902 uM FC(F)C(F)(F)OCC(CN1C=NC=N1)C1=C(Cl)C=C(Cl)C=C1 Tetraconazole 112281-77-3|Tetraconazole|(RS)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-Triazole-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether|1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2- tetrafluoroethoxy)propyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-, (+-)-|Eminent|M 14360|1135441-20-1|119615-64-4|124842-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034956
ERPathway2016 ERPathway2016_85 Tetraconazole 112281-77-3 DTXSID8034956 ER Pathway Model, Agonist Model Score 0 Unitless FC(F)C(F)(F)OCC(CN1C=NC=N1)C1=C(Cl)C=C(Cl)C=C1 Tetraconazole 112281-77-3|Tetraconazole|(RS)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-Triazole-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether|1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2- tetrafluoroethoxy)propyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-, (+-)-|Eminent|M 14360|1135441-20-1|119615-64-4|124842-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034956
ERPathway2016 ERPathway2016_85 Tetraconazole 112281-77-3 DTXSID8034956 ER Pathway Model, Antagonist Model Score 0.0127 Unitless FC(F)C(F)(F)OCC(CN1C=NC=N1)C1=C(Cl)C=C(Cl)C=C1 Tetraconazole 112281-77-3|Tetraconazole|(RS)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-Triazole-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether|1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2- tetrafluoroethoxy)propyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-, (+-)-|Eminent|M 14360|1135441-20-1|119615-64-4|124842-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034956
ERPathway2016 ERPathway2016_85 Tetraconazole 112281-77-3 DTXSID8034956 ER Pathway Model, Agonist Call Active Unitless FC(F)C(F)(F)OCC(CN1C=NC=N1)C1=C(Cl)C=C(Cl)C=C1 Tetraconazole 112281-77-3|Tetraconazole|(RS)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-Triazole-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether|1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2- tetrafluoroethoxy)propyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-, (+-)-|Eminent|M 14360|1135441-20-1|119615-64-4|124842-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034956
ERPathway2016 ERPathway2016_85 Tetraconazole 112281-77-3 DTXSID8034956 ER Pathway Model, Antagonist Call Inactive Unitless FC(F)C(F)(F)OCC(CN1C=NC=N1)C1=C(Cl)C=C(Cl)C=C1 Tetraconazole 112281-77-3|Tetraconazole|(RS)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-Triazole-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether|1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2- tetrafluoroethoxy)propyl]-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-|1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-, (+-)-|Eminent|M 14360|1135441-20-1|119615-64-4|124842-94-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8034956
ARPathway2016 ARPathway2016_1392 Tetracycline 60-54-8 DTXSID7023645 1.0 A3 AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O Tetracycline 60-54-8|Tetracycline|(-)-Tetracycline|(4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, [4S-(4a,4aa,5aa,6b,12aa)]-|4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,1 0,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|6-Methyl-1,11-dioxy-2-naphthacenecarboxamide|6-Methyl-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide|Abramycin|Achromycin|Acromicina|Actisite|Agromicina|Akne-Pyodron|Akne-Pyodron Kur|Ambramicina|Ambramycin|Apo-Tetra|Arcanacycline|Bio-Tetra|Biocycline|Brita|1172112-85-4|6591-49-7|929020-51-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023645
ARPathway2016 ARPathway2016_1392 Tetracycline 60-54-8 DTXSID7023645 1.0 A3 AR Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O Tetracycline 60-54-8|Tetracycline|(-)-Tetracycline|(4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, [4S-(4a,4aa,5aa,6b,12aa)]-|4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,1 0,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|6-Methyl-1,11-dioxy-2-naphthacenecarboxamide|6-Methyl-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide|Abramycin|Achromycin|Acromicina|Actisite|Agromicina|Akne-Pyodron|Akne-Pyodron Kur|Ambramicina|Ambramycin|Apo-Tetra|Arcanacycline|Bio-Tetra|Biocycline|Brita|1172112-85-4|6591-49-7|929020-51-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023645
ARPathway2016 ARPathway2016_1392 Tetracycline 60-54-8 DTXSID7023645 1.0 A3 AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O Tetracycline 60-54-8|Tetracycline|(-)-Tetracycline|(4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, [4S-(4a,4aa,5aa,6b,12aa)]-|4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,1 0,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|6-Methyl-1,11-dioxy-2-naphthacenecarboxamide|6-Methyl-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide|Abramycin|Achromycin|Acromicina|Actisite|Agromicina|Akne-Pyodron|Akne-Pyodron Kur|Ambramicina|Ambramycin|Apo-Tetra|Arcanacycline|Bio-Tetra|Biocycline|Brita|1172112-85-4|6591-49-7|929020-51-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023645
ARPathway2016 ARPathway2016_1392 Tetracycline 60-54-8 DTXSID7023645 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O Tetracycline 60-54-8|Tetracycline|(-)-Tetracycline|(4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, [4S-(4a,4aa,5aa,6b,12aa)]-|4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,1 0,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|6-Methyl-1,11-dioxy-2-naphthacenecarboxamide|6-Methyl-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide|Abramycin|Achromycin|Acromicina|Actisite|Agromicina|Akne-Pyodron|Akne-Pyodron Kur|Ambramicina|Ambramycin|Apo-Tetra|Arcanacycline|Bio-Tetra|Biocycline|Brita|1172112-85-4|6591-49-7|929020-51-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023645
ERPathway2016 ERPathway2016_881 Tetracycline 60-54-8 DTXSID7023645 ER Pathway Model, Agonist Model Score 0 Unitless [H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O Tetracycline 60-54-8|Tetracycline|(-)-Tetracycline|(4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, [4S-(4a,4aa,5aa,6b,12aa)]-|4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,1 0,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|6-Methyl-1,11-dioxy-2-naphthacenecarboxamide|6-Methyl-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide|Abramycin|Achromycin|Acromicina|Actisite|Agromicina|Akne-Pyodron|Akne-Pyodron Kur|Ambramicina|Ambramycin|Apo-Tetra|Arcanacycline|Bio-Tetra|Biocycline|Brita|1172112-85-4|6591-49-7|929020-51-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023645
ERPathway2016 ERPathway2016_881 Tetracycline 60-54-8 DTXSID7023645 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O Tetracycline 60-54-8|Tetracycline|(-)-Tetracycline|(4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, [4S-(4a,4aa,5aa,6b,12aa)]-|4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,1 0,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|6-Methyl-1,11-dioxy-2-naphthacenecarboxamide|6-Methyl-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide|Abramycin|Achromycin|Acromicina|Actisite|Agromicina|Akne-Pyodron|Akne-Pyodron Kur|Ambramicina|Ambramycin|Apo-Tetra|Arcanacycline|Bio-Tetra|Biocycline|Brita|1172112-85-4|6591-49-7|929020-51-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023645
ERPathway2016 ERPathway2016_881 Tetracycline 60-54-8 DTXSID7023645 ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O Tetracycline 60-54-8|Tetracycline|(-)-Tetracycline|(4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, [4S-(4a,4aa,5aa,6b,12aa)]-|4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,1 0,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|6-Methyl-1,11-dioxy-2-naphthacenecarboxamide|6-Methyl-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide|Abramycin|Achromycin|Acromicina|Actisite|Agromicina|Akne-Pyodron|Akne-Pyodron Kur|Ambramicina|Ambramycin|Apo-Tetra|Arcanacycline|Bio-Tetra|Biocycline|Brita|1172112-85-4|6591-49-7|929020-51-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023645
ERPathway2016 ERPathway2016_881 Tetracycline 60-54-8 DTXSID7023645 ER Pathway Model, Antagonist Call Inactive Unitless [H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O Tetracycline 60-54-8|Tetracycline|(-)-Tetracycline|(4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-|2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, [4S-(4a,4aa,5aa,6b,12aa)]-|4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,1 0,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|6-Methyl-1,11-dioxy-2-naphthacenecarboxamide|6-Methyl-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide|Abramycin|Achromycin|Acromicina|Actisite|Agromicina|Akne-Pyodron|Akne-Pyodron Kur|Ambramicina|Ambramycin|Apo-Tetra|Arcanacycline|Bio-Tetra|Biocycline|Brita|1172112-85-4|6591-49-7|929020-51-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7023645
ARPathway2016 ARPathway2016_1308 Tetradecanoic acid 544-63-8 DTXSID6021666 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCC(O)=O Tetradecanoic acid 544-63-8|Tetradecanoic acid|1-tetradecanecarboxylic acid|1-Tridecanecarboxylate|1-Tridecanecarboxylic acid|14|14:0|14:00|4-02-00-01126|Acide myristique|acide tetradecanoique|acido miristico, puro|BRN 0508624|C14|C14 fatty acid|CH3-[CH2]12-COOH|Crodacid|Edenor C 14|EINECS 208-875-2|FEMA No. 2764|Hydrofol acid 1495|Hystrene 9014|Kortacid 1499|Myristate|Myristic acid|Myristic acid pure|MYRISTINSAEURE|Myristinsaure|Myristoate|Myristoic acid|N-Tetradecan-1-oate|n-Tetradecan-1-oic acid|N-Tetradecanoate|n-Tetradecanoic acid|n-Tetradecoic acid|NSC 5028|Philacid 1400|Prifac 2942|Tetradecanoic (Myristic) acid|tetradecoic acid|UNII-0I3V7S25AW|Univol U 316S|45184-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021666 https://doi.org/10.22427/NTP-DATA-DTXSID6021666
ARPathway2016 ARPathway2016_1308 Tetradecanoic acid 544-63-8 DTXSID6021666 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCC(O)=O Tetradecanoic acid 544-63-8|Tetradecanoic acid|1-tetradecanecarboxylic acid|1-Tridecanecarboxylate|1-Tridecanecarboxylic acid|14|14:0|14:00|4-02-00-01126|Acide myristique|acide tetradecanoique|acido miristico, puro|BRN 0508624|C14|C14 fatty acid|CH3-[CH2]12-COOH|Crodacid|Edenor C 14|EINECS 208-875-2|FEMA No. 2764|Hydrofol acid 1495|Hystrene 9014|Kortacid 1499|Myristate|Myristic acid|Myristic acid pure|MYRISTINSAEURE|Myristinsaure|Myristoate|Myristoic acid|N-Tetradecan-1-oate|n-Tetradecan-1-oic acid|N-Tetradecanoate|n-Tetradecanoic acid|n-Tetradecoic acid|NSC 5028|Philacid 1400|Prifac 2942|Tetradecanoic (Myristic) acid|tetradecoic acid|UNII-0I3V7S25AW|Univol U 316S|45184-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021666 https://doi.org/10.22427/NTP-DATA-DTXSID6021666
ARPathway2016 ARPathway2016_1308 Tetradecanoic acid 544-63-8 DTXSID6021666 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCC(O)=O Tetradecanoic acid 544-63-8|Tetradecanoic acid|1-tetradecanecarboxylic acid|1-Tridecanecarboxylate|1-Tridecanecarboxylic acid|14|14:0|14:00|4-02-00-01126|Acide myristique|acide tetradecanoique|acido miristico, puro|BRN 0508624|C14|C14 fatty acid|CH3-[CH2]12-COOH|Crodacid|Edenor C 14|EINECS 208-875-2|FEMA No. 2764|Hydrofol acid 1495|Hystrene 9014|Kortacid 1499|Myristate|Myristic acid|Myristic acid pure|MYRISTINSAEURE|Myristinsaure|Myristoate|Myristoic acid|N-Tetradecan-1-oate|n-Tetradecan-1-oic acid|N-Tetradecanoate|n-Tetradecanoic acid|n-Tetradecoic acid|NSC 5028|Philacid 1400|Prifac 2942|Tetradecanoic (Myristic) acid|tetradecoic acid|UNII-0I3V7S25AW|Univol U 316S|45184-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021666 https://doi.org/10.22427/NTP-DATA-DTXSID6021666
ARPathway2016 ARPathway2016_1308 Tetradecanoic acid 544-63-8 DTXSID6021666 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCC(O)=O Tetradecanoic acid 544-63-8|Tetradecanoic acid|1-tetradecanecarboxylic acid|1-Tridecanecarboxylate|1-Tridecanecarboxylic acid|14|14:0|14:00|4-02-00-01126|Acide myristique|acide tetradecanoique|acido miristico, puro|BRN 0508624|C14|C14 fatty acid|CH3-[CH2]12-COOH|Crodacid|Edenor C 14|EINECS 208-875-2|FEMA No. 2764|Hydrofol acid 1495|Hystrene 9014|Kortacid 1499|Myristate|Myristic acid|Myristic acid pure|MYRISTINSAEURE|Myristinsaure|Myristoate|Myristoic acid|N-Tetradecan-1-oate|n-Tetradecan-1-oic acid|N-Tetradecanoate|n-Tetradecanoic acid|n-Tetradecoic acid|NSC 5028|Philacid 1400|Prifac 2942|Tetradecanoic (Myristic) acid|tetradecoic acid|UNII-0I3V7S25AW|Univol U 316S|45184-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021666 https://doi.org/10.22427/NTP-DATA-DTXSID6021666
ERPathway2016 ERPathway2016_1527 Tetradecanoic acid 544-63-8 DTXSID6021666 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCCCCC(O)=O Tetradecanoic acid 544-63-8|Tetradecanoic acid|1-tetradecanecarboxylic acid|1-Tridecanecarboxylate|1-Tridecanecarboxylic acid|14|14:0|14:00|4-02-00-01126|Acide myristique|acide tetradecanoique|acido miristico, puro|BRN 0508624|C14|C14 fatty acid|CH3-[CH2]12-COOH|Crodacid|Edenor C 14|EINECS 208-875-2|FEMA No. 2764|Hydrofol acid 1495|Hystrene 9014|Kortacid 1499|Myristate|Myristic acid|Myristic acid pure|MYRISTINSAEURE|Myristinsaure|Myristoate|Myristoic acid|N-Tetradecan-1-oate|n-Tetradecan-1-oic acid|N-Tetradecanoate|n-Tetradecanoic acid|n-Tetradecoic acid|NSC 5028|Philacid 1400|Prifac 2942|Tetradecanoic (Myristic) acid|tetradecoic acid|UNII-0I3V7S25AW|Univol U 316S|45184-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021666 https://doi.org/10.22427/NTP-DATA-DTXSID6021666
ERPathway2016 ERPathway2016_1527 Tetradecanoic acid 544-63-8 DTXSID6021666 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCCCCC(O)=O Tetradecanoic acid 544-63-8|Tetradecanoic acid|1-tetradecanecarboxylic acid|1-Tridecanecarboxylate|1-Tridecanecarboxylic acid|14|14:0|14:00|4-02-00-01126|Acide myristique|acide tetradecanoique|acido miristico, puro|BRN 0508624|C14|C14 fatty acid|CH3-[CH2]12-COOH|Crodacid|Edenor C 14|EINECS 208-875-2|FEMA No. 2764|Hydrofol acid 1495|Hystrene 9014|Kortacid 1499|Myristate|Myristic acid|Myristic acid pure|MYRISTINSAEURE|Myristinsaure|Myristoate|Myristoic acid|N-Tetradecan-1-oate|n-Tetradecan-1-oic acid|N-Tetradecanoate|n-Tetradecanoic acid|n-Tetradecoic acid|NSC 5028|Philacid 1400|Prifac 2942|Tetradecanoic (Myristic) acid|tetradecoic acid|UNII-0I3V7S25AW|Univol U 316S|45184-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021666 https://doi.org/10.22427/NTP-DATA-DTXSID6021666
ERPathway2016 ERPathway2016_1527 Tetradecanoic acid 544-63-8 DTXSID6021666 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCCCCC(O)=O Tetradecanoic acid 544-63-8|Tetradecanoic acid|1-tetradecanecarboxylic acid|1-Tridecanecarboxylate|1-Tridecanecarboxylic acid|14|14:0|14:00|4-02-00-01126|Acide myristique|acide tetradecanoique|acido miristico, puro|BRN 0508624|C14|C14 fatty acid|CH3-[CH2]12-COOH|Crodacid|Edenor C 14|EINECS 208-875-2|FEMA No. 2764|Hydrofol acid 1495|Hystrene 9014|Kortacid 1499|Myristate|Myristic acid|Myristic acid pure|MYRISTINSAEURE|Myristinsaure|Myristoate|Myristoic acid|N-Tetradecan-1-oate|n-Tetradecan-1-oic acid|N-Tetradecanoate|n-Tetradecanoic acid|n-Tetradecoic acid|NSC 5028|Philacid 1400|Prifac 2942|Tetradecanoic (Myristic) acid|tetradecoic acid|UNII-0I3V7S25AW|Univol U 316S|45184-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021666 https://doi.org/10.22427/NTP-DATA-DTXSID6021666
ERPathway2016 ERPathway2016_1527 Tetradecanoic acid 544-63-8 DTXSID6021666 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCCCCC(O)=O Tetradecanoic acid 544-63-8|Tetradecanoic acid|1-tetradecanecarboxylic acid|1-Tridecanecarboxylate|1-Tridecanecarboxylic acid|14|14:0|14:00|4-02-00-01126|Acide myristique|acide tetradecanoique|acido miristico, puro|BRN 0508624|C14|C14 fatty acid|CH3-[CH2]12-COOH|Crodacid|Edenor C 14|EINECS 208-875-2|FEMA No. 2764|Hydrofol acid 1495|Hystrene 9014|Kortacid 1499|Myristate|Myristic acid|Myristic acid pure|MYRISTINSAEURE|Myristinsaure|Myristoate|Myristoic acid|N-Tetradecan-1-oate|n-Tetradecan-1-oic acid|N-Tetradecanoate|n-Tetradecanoic acid|n-Tetradecoic acid|NSC 5028|Philacid 1400|Prifac 2942|Tetradecanoic (Myristic) acid|tetradecoic acid|UNII-0I3V7S25AW|Univol U 316S|45184-05-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6021666 https://doi.org/10.22427/NTP-DATA-DTXSID6021666
ARPathway2016 ARPathway2016_614 Tetraethylene glycol 112-60-7 DTXSID9026922 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless OCCOCCOCCOCCO Tetraethylene glycol 112-60-7|Tetraethylene glycol|1,11-Dihydroxy-3,6,9-trioxaundecane|2-(2-[2-(2-hydroxyethoxy)ethoxy]ethoxy)ethanol|2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethanol|2,2'-[Oxybis(2,1-ethanediyloxy)]bisethanol|2,2'-[Oxybis(2,1-ethanediyloxy)]diethanol|2,2'-[oxybis(ethane-2,1-diyloxy)]diethanol|3,6,9-Trioxaundecan-1,11-diol|3,6,9-Trioxaundecane-1,11-diol|3,6,9-trioxaundecano-1,11-diol|Bis[2-(2-hydroxyethoxy)ethyl] ether|BRN 1634320|Carbitol, diethyl|EINECS 203-989-9|Ethanol, 2,2'-(oxybis(ethyleneoxy))di-|Ethanol, 2,2'-[oxybis(2,1-ethanediyloxy)]bis-|Ethanol,2,2'-[oxybis(2,1-ethanediyloxy)]bis-|NSC 1262|PEG-4|TETRAAETHYLENGLYKOL|UNDECANE-1,11-DIOL, 3,6,9-TRIOXA-|1186024-61-2|79688-08-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026922
ARPathway2016 ARPathway2016_614 Tetraethylene glycol 112-60-7 DTXSID9026922 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless OCCOCCOCCOCCO Tetraethylene glycol 112-60-7|Tetraethylene glycol|1,11-Dihydroxy-3,6,9-trioxaundecane|2-(2-[2-(2-hydroxyethoxy)ethoxy]ethoxy)ethanol|2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethanol|2,2'-[Oxybis(2,1-ethanediyloxy)]bisethanol|2,2'-[Oxybis(2,1-ethanediyloxy)]diethanol|2,2'-[oxybis(ethane-2,1-diyloxy)]diethanol|3,6,9-Trioxaundecan-1,11-diol|3,6,9-Trioxaundecane-1,11-diol|3,6,9-trioxaundecano-1,11-diol|Bis[2-(2-hydroxyethoxy)ethyl] ether|BRN 1634320|Carbitol, diethyl|EINECS 203-989-9|Ethanol, 2,2'-(oxybis(ethyleneoxy))di-|Ethanol, 2,2'-[oxybis(2,1-ethanediyloxy)]bis-|Ethanol,2,2'-[oxybis(2,1-ethanediyloxy)]bis-|NSC 1262|PEG-4|TETRAAETHYLENGLYKOL|UNDECANE-1,11-DIOL, 3,6,9-TRIOXA-|1186024-61-2|79688-08-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026922
ARPathway2016 ARPathway2016_614 Tetraethylene glycol 112-60-7 DTXSID9026922 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless OCCOCCOCCOCCO Tetraethylene glycol 112-60-7|Tetraethylene glycol|1,11-Dihydroxy-3,6,9-trioxaundecane|2-(2-[2-(2-hydroxyethoxy)ethoxy]ethoxy)ethanol|2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethanol|2,2'-[Oxybis(2,1-ethanediyloxy)]bisethanol|2,2'-[Oxybis(2,1-ethanediyloxy)]diethanol|2,2'-[oxybis(ethane-2,1-diyloxy)]diethanol|3,6,9-Trioxaundecan-1,11-diol|3,6,9-Trioxaundecane-1,11-diol|3,6,9-trioxaundecano-1,11-diol|Bis[2-(2-hydroxyethoxy)ethyl] ether|BRN 1634320|Carbitol, diethyl|EINECS 203-989-9|Ethanol, 2,2'-(oxybis(ethyleneoxy))di-|Ethanol, 2,2'-[oxybis(2,1-ethanediyloxy)]bis-|Ethanol,2,2'-[oxybis(2,1-ethanediyloxy)]bis-|NSC 1262|PEG-4|TETRAAETHYLENGLYKOL|UNDECANE-1,11-DIOL, 3,6,9-TRIOXA-|1186024-61-2|79688-08-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026922
ARPathway2016 ARPathway2016_614 Tetraethylene glycol 112-60-7 DTXSID9026922 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless OCCOCCOCCOCCO Tetraethylene glycol 112-60-7|Tetraethylene glycol|1,11-Dihydroxy-3,6,9-trioxaundecane|2-(2-[2-(2-hydroxyethoxy)ethoxy]ethoxy)ethanol|2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethanol|2,2'-[Oxybis(2,1-ethanediyloxy)]bisethanol|2,2'-[Oxybis(2,1-ethanediyloxy)]diethanol|2,2'-[oxybis(ethane-2,1-diyloxy)]diethanol|3,6,9-Trioxaundecan-1,11-diol|3,6,9-Trioxaundecane-1,11-diol|3,6,9-trioxaundecano-1,11-diol|Bis[2-(2-hydroxyethoxy)ethyl] ether|BRN 1634320|Carbitol, diethyl|EINECS 203-989-9|Ethanol, 2,2'-(oxybis(ethyleneoxy))di-|Ethanol, 2,2'-[oxybis(2,1-ethanediyloxy)]bis-|Ethanol,2,2'-[oxybis(2,1-ethanediyloxy)]bis-|NSC 1262|PEG-4|TETRAAETHYLENGLYKOL|UNDECANE-1,11-DIOL, 3,6,9-TRIOXA-|1186024-61-2|79688-08-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026922
ERPathway2016 ERPathway2016_1179 Tetraethylene glycol 112-60-7 DTXSID9026922 ER Pathway Model, Agonist Model Score 0 Unitless OCCOCCOCCOCCO Tetraethylene glycol 112-60-7|Tetraethylene glycol|1,11-Dihydroxy-3,6,9-trioxaundecane|2-(2-[2-(2-hydroxyethoxy)ethoxy]ethoxy)ethanol|2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethanol|2,2'-[Oxybis(2,1-ethanediyloxy)]bisethanol|2,2'-[Oxybis(2,1-ethanediyloxy)]diethanol|2,2'-[oxybis(ethane-2,1-diyloxy)]diethanol|3,6,9-Trioxaundecan-1,11-diol|3,6,9-Trioxaundecane-1,11-diol|3,6,9-trioxaundecano-1,11-diol|Bis[2-(2-hydroxyethoxy)ethyl] ether|BRN 1634320|Carbitol, diethyl|EINECS 203-989-9|Ethanol, 2,2'-(oxybis(ethyleneoxy))di-|Ethanol, 2,2'-[oxybis(2,1-ethanediyloxy)]bis-|Ethanol,2,2'-[oxybis(2,1-ethanediyloxy)]bis-|NSC 1262|PEG-4|TETRAAETHYLENGLYKOL|UNDECANE-1,11-DIOL, 3,6,9-TRIOXA-|1186024-61-2|79688-08-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026922
ERPathway2016 ERPathway2016_1179 Tetraethylene glycol 112-60-7 DTXSID9026922 ER Pathway Model, Antagonist Model Score 0 Unitless OCCOCCOCCOCCO Tetraethylene glycol 112-60-7|Tetraethylene glycol|1,11-Dihydroxy-3,6,9-trioxaundecane|2-(2-[2-(2-hydroxyethoxy)ethoxy]ethoxy)ethanol|2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethanol|2,2'-[Oxybis(2,1-ethanediyloxy)]bisethanol|2,2'-[Oxybis(2,1-ethanediyloxy)]diethanol|2,2'-[oxybis(ethane-2,1-diyloxy)]diethanol|3,6,9-Trioxaundecan-1,11-diol|3,6,9-Trioxaundecane-1,11-diol|3,6,9-trioxaundecano-1,11-diol|Bis[2-(2-hydroxyethoxy)ethyl] ether|BRN 1634320|Carbitol, diethyl|EINECS 203-989-9|Ethanol, 2,2'-(oxybis(ethyleneoxy))di-|Ethanol, 2,2'-[oxybis(2,1-ethanediyloxy)]bis-|Ethanol,2,2'-[oxybis(2,1-ethanediyloxy)]bis-|NSC 1262|PEG-4|TETRAAETHYLENGLYKOL|UNDECANE-1,11-DIOL, 3,6,9-TRIOXA-|1186024-61-2|79688-08-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026922
ERPathway2016 ERPathway2016_1179 Tetraethylene glycol 112-60-7 DTXSID9026922 ER Pathway Model, Agonist Call Inactive Unitless OCCOCCOCCOCCO Tetraethylene glycol 112-60-7|Tetraethylene glycol|1,11-Dihydroxy-3,6,9-trioxaundecane|2-(2-[2-(2-hydroxyethoxy)ethoxy]ethoxy)ethanol|2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethanol|2,2'-[Oxybis(2,1-ethanediyloxy)]bisethanol|2,2'-[Oxybis(2,1-ethanediyloxy)]diethanol|2,2'-[oxybis(ethane-2,1-diyloxy)]diethanol|3,6,9-Trioxaundecan-1,11-diol|3,6,9-Trioxaundecane-1,11-diol|3,6,9-trioxaundecano-1,11-diol|Bis[2-(2-hydroxyethoxy)ethyl] ether|BRN 1634320|Carbitol, diethyl|EINECS 203-989-9|Ethanol, 2,2'-(oxybis(ethyleneoxy))di-|Ethanol, 2,2'-[oxybis(2,1-ethanediyloxy)]bis-|Ethanol,2,2'-[oxybis(2,1-ethanediyloxy)]bis-|NSC 1262|PEG-4|TETRAAETHYLENGLYKOL|UNDECANE-1,11-DIOL, 3,6,9-TRIOXA-|1186024-61-2|79688-08-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026922
ERPathway2016 ERPathway2016_1179 Tetraethylene glycol 112-60-7 DTXSID9026922 ER Pathway Model, Antagonist Call Inactive Unitless OCCOCCOCCOCCO Tetraethylene glycol 112-60-7|Tetraethylene glycol|1,11-Dihydroxy-3,6,9-trioxaundecane|2-(2-[2-(2-hydroxyethoxy)ethoxy]ethoxy)ethanol|2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethanol|2,2'-[Oxybis(2,1-ethanediyloxy)]bisethanol|2,2'-[Oxybis(2,1-ethanediyloxy)]diethanol|2,2'-[oxybis(ethane-2,1-diyloxy)]diethanol|3,6,9-Trioxaundecan-1,11-diol|3,6,9-Trioxaundecane-1,11-diol|3,6,9-trioxaundecano-1,11-diol|Bis[2-(2-hydroxyethoxy)ethyl] ether|BRN 1634320|Carbitol, diethyl|EINECS 203-989-9|Ethanol, 2,2'-(oxybis(ethyleneoxy))di-|Ethanol, 2,2'-[oxybis(2,1-ethanediyloxy)]bis-|Ethanol,2,2'-[oxybis(2,1-ethanediyloxy)]bis-|NSC 1262|PEG-4|TETRAAETHYLENGLYKOL|UNDECANE-1,11-DIOL, 3,6,9-TRIOXA-|1186024-61-2|79688-08-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026922
ARPathway2016 ARPathway2016_324 Tetraethylthiuram disulfide 97-77-8 DTXSID1021322 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 2.04776868980338 uM CCN(CC)C(=S)SSC(=S)N(CC)CC Tetraethylthiuram disulfide 97-77-8|Tetraethylthiuram disulfide|1,1'-Dithiobis(N,N-diethylthioformamide)|Abstensil|Abstensyl|Abstinil|Abstinyl|Accel TET|Accel TET-R|Akrochem TETD|Alcophobin|Alk-aubs|Antabus|Antabuse|Antadix|Antaenyl|Antaethyl|Antaetil|Antalcol|Antetan|Antetil|Anti-ethyl|Antiaethan|Anticol|Antietanol|Antietil|Antikol|Antivitium|Aversan|Averzan|bis-(N,N-Diethylthiocarbamoyl)disulfide|Bis((diethylamino)thioxomethyl) disulfide|Bis((diethylamino)thioxomethyl)disulphide|Bis(diethylthiocarbamoyl) disulfide|Bis(diethylthiocarbamoyl)disulphide|Bis(N,N-diethylthiocarbamoyl) disulfide|Bis(N,N-diethylthiocarbamoyl)disulphide|Bonibal|Contralin|Contrapot|Cronetal|Dicupral|Disetil|Disulfan|Disulfide, bis(diethylthiocarbamoyl)|Disulfiram|Disulfirame|disulfiramo|Disulfiramum|Dupont fungicide 4472|EINECS 202-607-8|Ekagom DTET|Ekagom TEDS|Ekagom TETDS|Ephorran|Espenal|Esperal|Ethyl Thiram|Ethyl Thiurad|Ethyl Tuads|Ethyl Tuex|Ethyldithiourame|Ethyldithiurame|Exhoran|Exhorran|Formamide, 1,1'-dithiobis(N,N-diethylthio-|Hocakrotenalnci-C02959|Krotenal|N,N,N',N'-Tetraethylthiura|11078-22-1|155-01-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021322 https://doi.org/10.22427/NTP-DATA-DTXSID1021322
ARPathway2016 ARPathway2016_324 Tetraethylthiuram disulfide 97-77-8 DTXSID1021322 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 1.85630311023771 uM CCN(CC)C(=S)SSC(=S)N(CC)CC Tetraethylthiuram disulfide 97-77-8|Tetraethylthiuram disulfide|1,1'-Dithiobis(N,N-diethylthioformamide)|Abstensil|Abstensyl|Abstinil|Abstinyl|Accel TET|Accel TET-R|Akrochem TETD|Alcophobin|Alk-aubs|Antabus|Antabuse|Antadix|Antaenyl|Antaethyl|Antaetil|Antalcol|Antetan|Antetil|Anti-ethyl|Antiaethan|Anticol|Antietanol|Antietil|Antikol|Antivitium|Aversan|Averzan|bis-(N,N-Diethylthiocarbamoyl)disulfide|Bis((diethylamino)thioxomethyl) disulfide|Bis((diethylamino)thioxomethyl)disulphide|Bis(diethylthiocarbamoyl) disulfide|Bis(diethylthiocarbamoyl)disulphide|Bis(N,N-diethylthiocarbamoyl) disulfide|Bis(N,N-diethylthiocarbamoyl)disulphide|Bonibal|Contralin|Contrapot|Cronetal|Dicupral|Disetil|Disulfan|Disulfide, bis(diethylthiocarbamoyl)|Disulfiram|Disulfirame|disulfiramo|Disulfiramum|Dupont fungicide 4472|EINECS 202-607-8|Ekagom DTET|Ekagom TEDS|Ekagom TETDS|Ephorran|Espenal|Esperal|Ethyl Thiram|Ethyl Thiurad|Ethyl Tuads|Ethyl Tuex|Ethyldithiourame|Ethyldithiurame|Exhoran|Exhorran|Formamide, 1,1'-dithiobis(N,N-diethylthio-|Hocakrotenalnci-C02959|Krotenal|N,N,N',N'-Tetraethylthiura|11078-22-1|155-01-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021322 https://doi.org/10.22427/NTP-DATA-DTXSID1021322
ARPathway2016 ARPathway2016_324 Tetraethylthiuram disulfide 97-77-8 DTXSID1021322 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.126 Unitless CCN(CC)C(=S)SSC(=S)N(CC)CC Tetraethylthiuram disulfide 97-77-8|Tetraethylthiuram disulfide|1,1'-Dithiobis(N,N-diethylthioformamide)|Abstensil|Abstensyl|Abstinil|Abstinyl|Accel TET|Accel TET-R|Akrochem TETD|Alcophobin|Alk-aubs|Antabus|Antabuse|Antadix|Antaenyl|Antaethyl|Antaetil|Antalcol|Antetan|Antetil|Anti-ethyl|Antiaethan|Anticol|Antietanol|Antietil|Antikol|Antivitium|Aversan|Averzan|bis-(N,N-Diethylthiocarbamoyl)disulfide|Bis((diethylamino)thioxomethyl) disulfide|Bis((diethylamino)thioxomethyl)disulphide|Bis(diethylthiocarbamoyl) disulfide|Bis(diethylthiocarbamoyl)disulphide|Bis(N,N-diethylthiocarbamoyl) disulfide|Bis(N,N-diethylthiocarbamoyl)disulphide|Bonibal|Contralin|Contrapot|Cronetal|Dicupral|Disetil|Disulfan|Disulfide, bis(diethylthiocarbamoyl)|Disulfiram|Disulfirame|disulfiramo|Disulfiramum|Dupont fungicide 4472|EINECS 202-607-8|Ekagom DTET|Ekagom TEDS|Ekagom TETDS|Ephorran|Espenal|Esperal|Ethyl Thiram|Ethyl Thiurad|Ethyl Tuads|Ethyl Tuex|Ethyldithiourame|Ethyldithiurame|Exhoran|Exhorran|Formamide, 1,1'-dithiobis(N,N-diethylthio-|Hocakrotenalnci-C02959|Krotenal|N,N,N',N'-Tetraethylthiura|11078-22-1|155-01-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021322 https://doi.org/10.22427/NTP-DATA-DTXSID1021322
ARPathway2016 ARPathway2016_324 Tetraethylthiuram disulfide 97-77-8 DTXSID1021322 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCN(CC)C(=S)SSC(=S)N(CC)CC Tetraethylthiuram disulfide 97-77-8|Tetraethylthiuram disulfide|1,1'-Dithiobis(N,N-diethylthioformamide)|Abstensil|Abstensyl|Abstinil|Abstinyl|Accel TET|Accel TET-R|Akrochem TETD|Alcophobin|Alk-aubs|Antabus|Antabuse|Antadix|Antaenyl|Antaethyl|Antaetil|Antalcol|Antetan|Antetil|Anti-ethyl|Antiaethan|Anticol|Antietanol|Antietil|Antikol|Antivitium|Aversan|Averzan|bis-(N,N-Diethylthiocarbamoyl)disulfide|Bis((diethylamino)thioxomethyl) disulfide|Bis((diethylamino)thioxomethyl)disulphide|Bis(diethylthiocarbamoyl) disulfide|Bis(diethylthiocarbamoyl)disulphide|Bis(N,N-diethylthiocarbamoyl) disulfide|Bis(N,N-diethylthiocarbamoyl)disulphide|Bonibal|Contralin|Contrapot|Cronetal|Dicupral|Disetil|Disulfan|Disulfide, bis(diethylthiocarbamoyl)|Disulfiram|Disulfirame|disulfiramo|Disulfiramum|Dupont fungicide 4472|EINECS 202-607-8|Ekagom DTET|Ekagom TEDS|Ekagom TETDS|Ephorran|Espenal|Esperal|Ethyl Thiram|Ethyl Thiurad|Ethyl Tuads|Ethyl Tuex|Ethyldithiourame|Ethyldithiurame|Exhoran|Exhorran|Formamide, 1,1'-dithiobis(N,N-diethylthio-|Hocakrotenalnci-C02959|Krotenal|N,N,N',N'-Tetraethylthiura|11078-22-1|155-01-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021322 https://doi.org/10.22427/NTP-DATA-DTXSID1021322
ARPathway2016 ARPathway2016_324 Tetraethylthiuram disulfide 97-77-8 DTXSID1021322 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCN(CC)C(=S)SSC(=S)N(CC)CC Tetraethylthiuram disulfide 97-77-8|Tetraethylthiuram disulfide|1,1'-Dithiobis(N,N-diethylthioformamide)|Abstensil|Abstensyl|Abstinil|Abstinyl|Accel TET|Accel TET-R|Akrochem TETD|Alcophobin|Alk-aubs|Antabus|Antabuse|Antadix|Antaenyl|Antaethyl|Antaetil|Antalcol|Antetan|Antetil|Anti-ethyl|Antiaethan|Anticol|Antietanol|Antietil|Antikol|Antivitium|Aversan|Averzan|bis-(N,N-Diethylthiocarbamoyl)disulfide|Bis((diethylamino)thioxomethyl) disulfide|Bis((diethylamino)thioxomethyl)disulphide|Bis(diethylthiocarbamoyl) disulfide|Bis(diethylthiocarbamoyl)disulphide|Bis(N,N-diethylthiocarbamoyl) disulfide|Bis(N,N-diethylthiocarbamoyl)disulphide|Bonibal|Contralin|Contrapot|Cronetal|Dicupral|Disetil|Disulfan|Disulfide, bis(diethylthiocarbamoyl)|Disulfiram|Disulfirame|disulfiramo|Disulfiramum|Dupont fungicide 4472|EINECS 202-607-8|Ekagom DTET|Ekagom TEDS|Ekagom TETDS|Ephorran|Espenal|Esperal|Ethyl Thiram|Ethyl Thiurad|Ethyl Tuads|Ethyl Tuex|Ethyldithiourame|Ethyldithiurame|Exhoran|Exhorran|Formamide, 1,1'-dithiobis(N,N-diethylthio-|Hocakrotenalnci-C02959|Krotenal|N,N,N',N'-Tetraethylthiura|11078-22-1|155-01-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021322 https://doi.org/10.22427/NTP-DATA-DTXSID1021322
ARPathway2016 ARPathway2016_324 Tetraethylthiuram disulfide 97-77-8 DTXSID1021322 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCN(CC)C(=S)SSC(=S)N(CC)CC Tetraethylthiuram disulfide 97-77-8|Tetraethylthiuram disulfide|1,1'-Dithiobis(N,N-diethylthioformamide)|Abstensil|Abstensyl|Abstinil|Abstinyl|Accel TET|Accel TET-R|Akrochem TETD|Alcophobin|Alk-aubs|Antabus|Antabuse|Antadix|Antaenyl|Antaethyl|Antaetil|Antalcol|Antetan|Antetil|Anti-ethyl|Antiaethan|Anticol|Antietanol|Antietil|Antikol|Antivitium|Aversan|Averzan|bis-(N,N-Diethylthiocarbamoyl)disulfide|Bis((diethylamino)thioxomethyl) disulfide|Bis((diethylamino)thioxomethyl)disulphide|Bis(diethylthiocarbamoyl) disulfide|Bis(diethylthiocarbamoyl)disulphide|Bis(N,N-diethylthiocarbamoyl) disulfide|Bis(N,N-diethylthiocarbamoyl)disulphide|Bonibal|Contralin|Contrapot|Cronetal|Dicupral|Disetil|Disulfan|Disulfide, bis(diethylthiocarbamoyl)|Disulfiram|Disulfirame|disulfiramo|Disulfiramum|Dupont fungicide 4472|EINECS 202-607-8|Ekagom DTET|Ekagom TEDS|Ekagom TETDS|Ephorran|Espenal|Esperal|Ethyl Thiram|Ethyl Thiurad|Ethyl Tuads|Ethyl Tuex|Ethyldithiourame|Ethyldithiurame|Exhoran|Exhorran|Formamide, 1,1'-dithiobis(N,N-diethylthio-|Hocakrotenalnci-C02959|Krotenal|N,N,N',N'-Tetraethylthiura|11078-22-1|155-01-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021322 https://doi.org/10.22427/NTP-DATA-DTXSID1021322
ERPathway2016 ERPathway2016_988 Tetraethylthiuram disulfide 97-77-8 DTXSID1021322 ER Pathway Model, Agonist Model Score 0 Unitless CCN(CC)C(=S)SSC(=S)N(CC)CC Tetraethylthiuram disulfide 97-77-8|Tetraethylthiuram disulfide|1,1'-Dithiobis(N,N-diethylthioformamide)|Abstensil|Abstensyl|Abstinil|Abstinyl|Accel TET|Accel TET-R|Akrochem TETD|Alcophobin|Alk-aubs|Antabus|Antabuse|Antadix|Antaenyl|Antaethyl|Antaetil|Antalcol|Antetan|Antetil|Anti-ethyl|Antiaethan|Anticol|Antietanol|Antietil|Antikol|Antivitium|Aversan|Averzan|bis-(N,N-Diethylthiocarbamoyl)disulfide|Bis((diethylamino)thioxomethyl) disulfide|Bis((diethylamino)thioxomethyl)disulphide|Bis(diethylthiocarbamoyl) disulfide|Bis(diethylthiocarbamoyl)disulphide|Bis(N,N-diethylthiocarbamoyl) disulfide|Bis(N,N-diethylthiocarbamoyl)disulphide|Bonibal|Contralin|Contrapot|Cronetal|Dicupral|Disetil|Disulfan|Disulfide, bis(diethylthiocarbamoyl)|Disulfiram|Disulfirame|disulfiramo|Disulfiramum|Dupont fungicide 4472|EINECS 202-607-8|Ekagom DTET|Ekagom TEDS|Ekagom TETDS|Ephorran|Espenal|Esperal|Ethyl Thiram|Ethyl Thiurad|Ethyl Tuads|Ethyl Tuex|Ethyldithiourame|Ethyldithiurame|Exhoran|Exhorran|Formamide, 1,1'-dithiobis(N,N-diethylthio-|Hocakrotenalnci-C02959|Krotenal|N,N,N',N'-Tetraethylthiura|11078-22-1|155-01-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021322 https://doi.org/10.22427/NTP-DATA-DTXSID1021322
ERPathway2016 ERPathway2016_988 Tetraethylthiuram disulfide 97-77-8 DTXSID1021322 ER Pathway Model, Antagonist Model Score 0 Unitless CCN(CC)C(=S)SSC(=S)N(CC)CC Tetraethylthiuram disulfide 97-77-8|Tetraethylthiuram disulfide|1,1'-Dithiobis(N,N-diethylthioformamide)|Abstensil|Abstensyl|Abstinil|Abstinyl|Accel TET|Accel TET-R|Akrochem TETD|Alcophobin|Alk-aubs|Antabus|Antabuse|Antadix|Antaenyl|Antaethyl|Antaetil|Antalcol|Antetan|Antetil|Anti-ethyl|Antiaethan|Anticol|Antietanol|Antietil|Antikol|Antivitium|Aversan|Averzan|bis-(N,N-Diethylthiocarbamoyl)disulfide|Bis((diethylamino)thioxomethyl) disulfide|Bis((diethylamino)thioxomethyl)disulphide|Bis(diethylthiocarbamoyl) disulfide|Bis(diethylthiocarbamoyl)disulphide|Bis(N,N-diethylthiocarbamoyl) disulfide|Bis(N,N-diethylthiocarbamoyl)disulphide|Bonibal|Contralin|Contrapot|Cronetal|Dicupral|Disetil|Disulfan|Disulfide, bis(diethylthiocarbamoyl)|Disulfiram|Disulfirame|disulfiramo|Disulfiramum|Dupont fungicide 4472|EINECS 202-607-8|Ekagom DTET|Ekagom TEDS|Ekagom TETDS|Ephorran|Espenal|Esperal|Ethyl Thiram|Ethyl Thiurad|Ethyl Tuads|Ethyl Tuex|Ethyldithiourame|Ethyldithiurame|Exhoran|Exhorran|Formamide, 1,1'-dithiobis(N,N-diethylthio-|Hocakrotenalnci-C02959|Krotenal|N,N,N',N'-Tetraethylthiura|11078-22-1|155-01-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021322 https://doi.org/10.22427/NTP-DATA-DTXSID1021322
ERPathway2016 ERPathway2016_988 Tetraethylthiuram disulfide 97-77-8 DTXSID1021322 ER Pathway Model, Agonist Call Inactive Unitless CCN(CC)C(=S)SSC(=S)N(CC)CC Tetraethylthiuram disulfide 97-77-8|Tetraethylthiuram disulfide|1,1'-Dithiobis(N,N-diethylthioformamide)|Abstensil|Abstensyl|Abstinil|Abstinyl|Accel TET|Accel TET-R|Akrochem TETD|Alcophobin|Alk-aubs|Antabus|Antabuse|Antadix|Antaenyl|Antaethyl|Antaetil|Antalcol|Antetan|Antetil|Anti-ethyl|Antiaethan|Anticol|Antietanol|Antietil|Antikol|Antivitium|Aversan|Averzan|bis-(N,N-Diethylthiocarbamoyl)disulfide|Bis((diethylamino)thioxomethyl) disulfide|Bis((diethylamino)thioxomethyl)disulphide|Bis(diethylthiocarbamoyl) disulfide|Bis(diethylthiocarbamoyl)disulphide|Bis(N,N-diethylthiocarbamoyl) disulfide|Bis(N,N-diethylthiocarbamoyl)disulphide|Bonibal|Contralin|Contrapot|Cronetal|Dicupral|Disetil|Disulfan|Disulfide, bis(diethylthiocarbamoyl)|Disulfiram|Disulfirame|disulfiramo|Disulfiramum|Dupont fungicide 4472|EINECS 202-607-8|Ekagom DTET|Ekagom TEDS|Ekagom TETDS|Ephorran|Espenal|Esperal|Ethyl Thiram|Ethyl Thiurad|Ethyl Tuads|Ethyl Tuex|Ethyldithiourame|Ethyldithiurame|Exhoran|Exhorran|Formamide, 1,1'-dithiobis(N,N-diethylthio-|Hocakrotenalnci-C02959|Krotenal|N,N,N',N'-Tetraethylthiura|11078-22-1|155-01-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021322 https://doi.org/10.22427/NTP-DATA-DTXSID1021322
ERPathway2016 ERPathway2016_988 Tetraethylthiuram disulfide 97-77-8 DTXSID1021322 ER Pathway Model, Antagonist Call Inactive Unitless CCN(CC)C(=S)SSC(=S)N(CC)CC Tetraethylthiuram disulfide 97-77-8|Tetraethylthiuram disulfide|1,1'-Dithiobis(N,N-diethylthioformamide)|Abstensil|Abstensyl|Abstinil|Abstinyl|Accel TET|Accel TET-R|Akrochem TETD|Alcophobin|Alk-aubs|Antabus|Antabuse|Antadix|Antaenyl|Antaethyl|Antaetil|Antalcol|Antetan|Antetil|Anti-ethyl|Antiaethan|Anticol|Antietanol|Antietil|Antikol|Antivitium|Aversan|Averzan|bis-(N,N-Diethylthiocarbamoyl)disulfide|Bis((diethylamino)thioxomethyl) disulfide|Bis((diethylamino)thioxomethyl)disulphide|Bis(diethylthiocarbamoyl) disulfide|Bis(diethylthiocarbamoyl)disulphide|Bis(N,N-diethylthiocarbamoyl) disulfide|Bis(N,N-diethylthiocarbamoyl)disulphide|Bonibal|Contralin|Contrapot|Cronetal|Dicupral|Disetil|Disulfan|Disulfide, bis(diethylthiocarbamoyl)|Disulfiram|Disulfirame|disulfiramo|Disulfiramum|Dupont fungicide 4472|EINECS 202-607-8|Ekagom DTET|Ekagom TEDS|Ekagom TETDS|Ephorran|Espenal|Esperal|Ethyl Thiram|Ethyl Thiurad|Ethyl Tuads|Ethyl Tuex|Ethyldithiourame|Ethyldithiurame|Exhoran|Exhorran|Formamide, 1,1'-dithiobis(N,N-diethylthio-|Hocakrotenalnci-C02959|Krotenal|N,N,N',N'-Tetraethylthiura|11078-22-1|155-01-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021322 https://doi.org/10.22427/NTP-DATA-DTXSID1021322
ARPathway2016 ARPathway2016_1793 Tetrahydrofurfuryl alcohol 97-99-4 DTXSID1029128 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCC1CCCO1 Tetrahydrofurfuryl alcohol 97-99-4|Tetrahydrofurfuryl alcohol|(.+-.)-Tetrahydrofurfuryl alcohol|(Tetrahydrofuran-2-yl)methanol|2-(Hydroxymethyl)tetrahydrofuran|2-Furanmethanol, tetrahydro-|2-Hydroxymethyl oxolane|alcohol tetrahidrofurfurilico|Alcool tetrahydrofurfurylique|BRN 0102723|EINECS 202-625-6|FEMA No. 3056|Furfuryl alcohol, tetrahydro-|NSC 15434|QO THFA|Rac-(Tetrahydrofuran-2-yl)methanol|Tetrahydro-2 Furancarbinol|Tetrahydro-2 Furylmethanol|Tetrahydro-2-furancarbinol|Tetrahydro-2-furanmethanol|Tetrahydro-2-furanylmethanol|Tetrahydro-2-furfuryl alcohol|TETRAHYDRO-2-FURYLMETHANOL|TETRAHYDRO-FURFURYLALKOHOL|TETRAHYDROFURAN, 2-HYDROXYMETHYL-|Tetrahydrofurfurylalkohol|Tetrahydrofuryl carbinol|Tetrahydrofurylalkohol|UNII-XD95821VF9|72074-94-3|82853-20-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029128
ARPathway2016 ARPathway2016_1793 Tetrahydrofurfuryl alcohol 97-99-4 DTXSID1029128 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCC1CCCO1 Tetrahydrofurfuryl alcohol 97-99-4|Tetrahydrofurfuryl alcohol|(.+-.)-Tetrahydrofurfuryl alcohol|(Tetrahydrofuran-2-yl)methanol|2-(Hydroxymethyl)tetrahydrofuran|2-Furanmethanol, tetrahydro-|2-Hydroxymethyl oxolane|alcohol tetrahidrofurfurilico|Alcool tetrahydrofurfurylique|BRN 0102723|EINECS 202-625-6|FEMA No. 3056|Furfuryl alcohol, tetrahydro-|NSC 15434|QO THFA|Rac-(Tetrahydrofuran-2-yl)methanol|Tetrahydro-2 Furancarbinol|Tetrahydro-2 Furylmethanol|Tetrahydro-2-furancarbinol|Tetrahydro-2-furanmethanol|Tetrahydro-2-furanylmethanol|Tetrahydro-2-furfuryl alcohol|TETRAHYDRO-2-FURYLMETHANOL|TETRAHYDRO-FURFURYLALKOHOL|TETRAHYDROFURAN, 2-HYDROXYMETHYL-|Tetrahydrofurfurylalkohol|Tetrahydrofuryl carbinol|Tetrahydrofurylalkohol|UNII-XD95821VF9|72074-94-3|82853-20-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029128
ARPathway2016 ARPathway2016_1793 Tetrahydrofurfuryl alcohol 97-99-4 DTXSID1029128 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCC1CCCO1 Tetrahydrofurfuryl alcohol 97-99-4|Tetrahydrofurfuryl alcohol|(.+-.)-Tetrahydrofurfuryl alcohol|(Tetrahydrofuran-2-yl)methanol|2-(Hydroxymethyl)tetrahydrofuran|2-Furanmethanol, tetrahydro-|2-Hydroxymethyl oxolane|alcohol tetrahidrofurfurilico|Alcool tetrahydrofurfurylique|BRN 0102723|EINECS 202-625-6|FEMA No. 3056|Furfuryl alcohol, tetrahydro-|NSC 15434|QO THFA|Rac-(Tetrahydrofuran-2-yl)methanol|Tetrahydro-2 Furancarbinol|Tetrahydro-2 Furylmethanol|Tetrahydro-2-furancarbinol|Tetrahydro-2-furanmethanol|Tetrahydro-2-furanylmethanol|Tetrahydro-2-furfuryl alcohol|TETRAHYDRO-2-FURYLMETHANOL|TETRAHYDRO-FURFURYLALKOHOL|TETRAHYDROFURAN, 2-HYDROXYMETHYL-|Tetrahydrofurfurylalkohol|Tetrahydrofuryl carbinol|Tetrahydrofurylalkohol|UNII-XD95821VF9|72074-94-3|82853-20-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029128
ARPathway2016 ARPathway2016_1793 Tetrahydrofurfuryl alcohol 97-99-4 DTXSID1029128 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCC1CCCO1 Tetrahydrofurfuryl alcohol 97-99-4|Tetrahydrofurfuryl alcohol|(.+-.)-Tetrahydrofurfuryl alcohol|(Tetrahydrofuran-2-yl)methanol|2-(Hydroxymethyl)tetrahydrofuran|2-Furanmethanol, tetrahydro-|2-Hydroxymethyl oxolane|alcohol tetrahidrofurfurilico|Alcool tetrahydrofurfurylique|BRN 0102723|EINECS 202-625-6|FEMA No. 3056|Furfuryl alcohol, tetrahydro-|NSC 15434|QO THFA|Rac-(Tetrahydrofuran-2-yl)methanol|Tetrahydro-2 Furancarbinol|Tetrahydro-2 Furylmethanol|Tetrahydro-2-furancarbinol|Tetrahydro-2-furanmethanol|Tetrahydro-2-furanylmethanol|Tetrahydro-2-furfuryl alcohol|TETRAHYDRO-2-FURYLMETHANOL|TETRAHYDRO-FURFURYLALKOHOL|TETRAHYDROFURAN, 2-HYDROXYMETHYL-|Tetrahydrofurfurylalkohol|Tetrahydrofuryl carbinol|Tetrahydrofurylalkohol|UNII-XD95821VF9|72074-94-3|82853-20-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029128
ERPathway2016 ERPathway2016_1784 Tetrahydrofurfuryl alcohol 97-99-4 DTXSID1029128 ER Pathway Model, Agonist Model Score 0 Unitless OCC1CCCO1 Tetrahydrofurfuryl alcohol 97-99-4|Tetrahydrofurfuryl alcohol|(.+-.)-Tetrahydrofurfuryl alcohol|(Tetrahydrofuran-2-yl)methanol|2-(Hydroxymethyl)tetrahydrofuran|2-Furanmethanol, tetrahydro-|2-Hydroxymethyl oxolane|alcohol tetrahidrofurfurilico|Alcool tetrahydrofurfurylique|BRN 0102723|EINECS 202-625-6|FEMA No. 3056|Furfuryl alcohol, tetrahydro-|NSC 15434|QO THFA|Rac-(Tetrahydrofuran-2-yl)methanol|Tetrahydro-2 Furancarbinol|Tetrahydro-2 Furylmethanol|Tetrahydro-2-furancarbinol|Tetrahydro-2-furanmethanol|Tetrahydro-2-furanylmethanol|Tetrahydro-2-furfuryl alcohol|TETRAHYDRO-2-FURYLMETHANOL|TETRAHYDRO-FURFURYLALKOHOL|TETRAHYDROFURAN, 2-HYDROXYMETHYL-|Tetrahydrofurfurylalkohol|Tetrahydrofuryl carbinol|Tetrahydrofurylalkohol|UNII-XD95821VF9|72074-94-3|82853-20-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029128
ERPathway2016 ERPathway2016_1784 Tetrahydrofurfuryl alcohol 97-99-4 DTXSID1029128 ER Pathway Model, Antagonist Model Score 0 Unitless OCC1CCCO1 Tetrahydrofurfuryl alcohol 97-99-4|Tetrahydrofurfuryl alcohol|(.+-.)-Tetrahydrofurfuryl alcohol|(Tetrahydrofuran-2-yl)methanol|2-(Hydroxymethyl)tetrahydrofuran|2-Furanmethanol, tetrahydro-|2-Hydroxymethyl oxolane|alcohol tetrahidrofurfurilico|Alcool tetrahydrofurfurylique|BRN 0102723|EINECS 202-625-6|FEMA No. 3056|Furfuryl alcohol, tetrahydro-|NSC 15434|QO THFA|Rac-(Tetrahydrofuran-2-yl)methanol|Tetrahydro-2 Furancarbinol|Tetrahydro-2 Furylmethanol|Tetrahydro-2-furancarbinol|Tetrahydro-2-furanmethanol|Tetrahydro-2-furanylmethanol|Tetrahydro-2-furfuryl alcohol|TETRAHYDRO-2-FURYLMETHANOL|TETRAHYDRO-FURFURYLALKOHOL|TETRAHYDROFURAN, 2-HYDROXYMETHYL-|Tetrahydrofurfurylalkohol|Tetrahydrofuryl carbinol|Tetrahydrofurylalkohol|UNII-XD95821VF9|72074-94-3|82853-20-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029128
ERPathway2016 ERPathway2016_1784 Tetrahydrofurfuryl alcohol 97-99-4 DTXSID1029128 ER Pathway Model, Agonist Call Inactive Unitless OCC1CCCO1 Tetrahydrofurfuryl alcohol 97-99-4|Tetrahydrofurfuryl alcohol|(.+-.)-Tetrahydrofurfuryl alcohol|(Tetrahydrofuran-2-yl)methanol|2-(Hydroxymethyl)tetrahydrofuran|2-Furanmethanol, tetrahydro-|2-Hydroxymethyl oxolane|alcohol tetrahidrofurfurilico|Alcool tetrahydrofurfurylique|BRN 0102723|EINECS 202-625-6|FEMA No. 3056|Furfuryl alcohol, tetrahydro-|NSC 15434|QO THFA|Rac-(Tetrahydrofuran-2-yl)methanol|Tetrahydro-2 Furancarbinol|Tetrahydro-2 Furylmethanol|Tetrahydro-2-furancarbinol|Tetrahydro-2-furanmethanol|Tetrahydro-2-furanylmethanol|Tetrahydro-2-furfuryl alcohol|TETRAHYDRO-2-FURYLMETHANOL|TETRAHYDRO-FURFURYLALKOHOL|TETRAHYDROFURAN, 2-HYDROXYMETHYL-|Tetrahydrofurfurylalkohol|Tetrahydrofuryl carbinol|Tetrahydrofurylalkohol|UNII-XD95821VF9|72074-94-3|82853-20-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029128
ERPathway2016 ERPathway2016_1784 Tetrahydrofurfuryl alcohol 97-99-4 DTXSID1029128 ER Pathway Model, Antagonist Call Inactive Unitless OCC1CCCO1 Tetrahydrofurfuryl alcohol 97-99-4|Tetrahydrofurfuryl alcohol|(.+-.)-Tetrahydrofurfuryl alcohol|(Tetrahydrofuran-2-yl)methanol|2-(Hydroxymethyl)tetrahydrofuran|2-Furanmethanol, tetrahydro-|2-Hydroxymethyl oxolane|alcohol tetrahidrofurfurilico|Alcool tetrahydrofurfurylique|BRN 0102723|EINECS 202-625-6|FEMA No. 3056|Furfuryl alcohol, tetrahydro-|NSC 15434|QO THFA|Rac-(Tetrahydrofuran-2-yl)methanol|Tetrahydro-2 Furancarbinol|Tetrahydro-2 Furylmethanol|Tetrahydro-2-furancarbinol|Tetrahydro-2-furanmethanol|Tetrahydro-2-furanylmethanol|Tetrahydro-2-furfuryl alcohol|TETRAHYDRO-2-FURYLMETHANOL|TETRAHYDRO-FURFURYLALKOHOL|TETRAHYDROFURAN, 2-HYDROXYMETHYL-|Tetrahydrofurfurylalkohol|Tetrahydrofuryl carbinol|Tetrahydrofurylalkohol|UNII-XD95821VF9|72074-94-3|82853-20-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1029128
ARPathway2016 ARPathway2016_662 Tetralin 119-64-2 DTXSID1026118 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1CCC2=C(C1)C=CC=C2 Tetralin 119-64-2|Tetralin|1,2,3,4-tetrahidronaftaleno|1,2,3,4-Tetrahydronaphtalene|1,2,3,4-tetrahydronaphthalene|1,2,3,4-Tetrahydronaphthalene (Tetralin)|1,2,3,4-Tetrahydronaphthalin|Benzocyclohexane|Caswell No. 842A|delta(sup 5,7,9)-naphthantriene|EINECS 204-340-2|EPA Pesticide Chemical Code 055901|naphthalene 1,2,3,4-tetrahydride|Naphthalene, 1,2,3,4-tetrahydro-|NSC 77451|Tetrahydronaphthalene|TETRAHYDRONAPHTHALENE, 1,2,3,4-|tetralene|Tetralina|Tetraline|Tetranap|UNII-FT6XMI58YQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026118 https://doi.org/10.22427/NTP-DATA-DTXSID1026118
ARPathway2016 ARPathway2016_662 Tetralin 119-64-2 DTXSID1026118 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1CCC2=C(C1)C=CC=C2 Tetralin 119-64-2|Tetralin|1,2,3,4-tetrahidronaftaleno|1,2,3,4-Tetrahydronaphtalene|1,2,3,4-tetrahydronaphthalene|1,2,3,4-Tetrahydronaphthalene (Tetralin)|1,2,3,4-Tetrahydronaphthalin|Benzocyclohexane|Caswell No. 842A|delta(sup 5,7,9)-naphthantriene|EINECS 204-340-2|EPA Pesticide Chemical Code 055901|naphthalene 1,2,3,4-tetrahydride|Naphthalene, 1,2,3,4-tetrahydro-|NSC 77451|Tetrahydronaphthalene|TETRAHYDRONAPHTHALENE, 1,2,3,4-|tetralene|Tetralina|Tetraline|Tetranap|UNII-FT6XMI58YQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026118 https://doi.org/10.22427/NTP-DATA-DTXSID1026118
ARPathway2016 ARPathway2016_662 Tetralin 119-64-2 DTXSID1026118 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1CCC2=C(C1)C=CC=C2 Tetralin 119-64-2|Tetralin|1,2,3,4-tetrahidronaftaleno|1,2,3,4-Tetrahydronaphtalene|1,2,3,4-tetrahydronaphthalene|1,2,3,4-Tetrahydronaphthalene (Tetralin)|1,2,3,4-Tetrahydronaphthalin|Benzocyclohexane|Caswell No. 842A|delta(sup 5,7,9)-naphthantriene|EINECS 204-340-2|EPA Pesticide Chemical Code 055901|naphthalene 1,2,3,4-tetrahydride|Naphthalene, 1,2,3,4-tetrahydro-|NSC 77451|Tetrahydronaphthalene|TETRAHYDRONAPHTHALENE, 1,2,3,4-|tetralene|Tetralina|Tetraline|Tetranap|UNII-FT6XMI58YQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026118 https://doi.org/10.22427/NTP-DATA-DTXSID1026118
ARPathway2016 ARPathway2016_662 Tetralin 119-64-2 DTXSID1026118 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1CCC2=C(C1)C=CC=C2 Tetralin 119-64-2|Tetralin|1,2,3,4-tetrahidronaftaleno|1,2,3,4-Tetrahydronaphtalene|1,2,3,4-tetrahydronaphthalene|1,2,3,4-Tetrahydronaphthalene (Tetralin)|1,2,3,4-Tetrahydronaphthalin|Benzocyclohexane|Caswell No. 842A|delta(sup 5,7,9)-naphthantriene|EINECS 204-340-2|EPA Pesticide Chemical Code 055901|naphthalene 1,2,3,4-tetrahydride|Naphthalene, 1,2,3,4-tetrahydro-|NSC 77451|Tetrahydronaphthalene|TETRAHYDRONAPHTHALENE, 1,2,3,4-|tetralene|Tetralina|Tetraline|Tetranap|UNII-FT6XMI58YQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026118 https://doi.org/10.22427/NTP-DATA-DTXSID1026118
ERPathway2016 ERPathway2016_1206 Tetralin 119-64-2 DTXSID1026118 ER Pathway Model, Agonist Model Score 0 Unitless C1CCC2=C(C1)C=CC=C2 Tetralin 119-64-2|Tetralin|1,2,3,4-tetrahidronaftaleno|1,2,3,4-Tetrahydronaphtalene|1,2,3,4-tetrahydronaphthalene|1,2,3,4-Tetrahydronaphthalene (Tetralin)|1,2,3,4-Tetrahydronaphthalin|Benzocyclohexane|Caswell No. 842A|delta(sup 5,7,9)-naphthantriene|EINECS 204-340-2|EPA Pesticide Chemical Code 055901|naphthalene 1,2,3,4-tetrahydride|Naphthalene, 1,2,3,4-tetrahydro-|NSC 77451|Tetrahydronaphthalene|TETRAHYDRONAPHTHALENE, 1,2,3,4-|tetralene|Tetralina|Tetraline|Tetranap|UNII-FT6XMI58YQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026118 https://doi.org/10.22427/NTP-DATA-DTXSID1026118
ERPathway2016 ERPathway2016_1206 Tetralin 119-64-2 DTXSID1026118 ER Pathway Model, Antagonist Model Score 0 Unitless C1CCC2=C(C1)C=CC=C2 Tetralin 119-64-2|Tetralin|1,2,3,4-tetrahidronaftaleno|1,2,3,4-Tetrahydronaphtalene|1,2,3,4-tetrahydronaphthalene|1,2,3,4-Tetrahydronaphthalene (Tetralin)|1,2,3,4-Tetrahydronaphthalin|Benzocyclohexane|Caswell No. 842A|delta(sup 5,7,9)-naphthantriene|EINECS 204-340-2|EPA Pesticide Chemical Code 055901|naphthalene 1,2,3,4-tetrahydride|Naphthalene, 1,2,3,4-tetrahydro-|NSC 77451|Tetrahydronaphthalene|TETRAHYDRONAPHTHALENE, 1,2,3,4-|tetralene|Tetralina|Tetraline|Tetranap|UNII-FT6XMI58YQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026118 https://doi.org/10.22427/NTP-DATA-DTXSID1026118
ERPathway2016 ERPathway2016_1206 Tetralin 119-64-2 DTXSID1026118 ER Pathway Model, Agonist Call Inactive Unitless C1CCC2=C(C1)C=CC=C2 Tetralin 119-64-2|Tetralin|1,2,3,4-tetrahidronaftaleno|1,2,3,4-Tetrahydronaphtalene|1,2,3,4-tetrahydronaphthalene|1,2,3,4-Tetrahydronaphthalene (Tetralin)|1,2,3,4-Tetrahydronaphthalin|Benzocyclohexane|Caswell No. 842A|delta(sup 5,7,9)-naphthantriene|EINECS 204-340-2|EPA Pesticide Chemical Code 055901|naphthalene 1,2,3,4-tetrahydride|Naphthalene, 1,2,3,4-tetrahydro-|NSC 77451|Tetrahydronaphthalene|TETRAHYDRONAPHTHALENE, 1,2,3,4-|tetralene|Tetralina|Tetraline|Tetranap|UNII-FT6XMI58YQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026118 https://doi.org/10.22427/NTP-DATA-DTXSID1026118
ERPathway2016 ERPathway2016_1206 Tetralin 119-64-2 DTXSID1026118 ER Pathway Model, Antagonist Call Inactive Unitless C1CCC2=C(C1)C=CC=C2 Tetralin 119-64-2|Tetralin|1,2,3,4-tetrahidronaftaleno|1,2,3,4-Tetrahydronaphtalene|1,2,3,4-tetrahydronaphthalene|1,2,3,4-Tetrahydronaphthalene (Tetralin)|1,2,3,4-Tetrahydronaphthalin|Benzocyclohexane|Caswell No. 842A|delta(sup 5,7,9)-naphthantriene|EINECS 204-340-2|EPA Pesticide Chemical Code 055901|naphthalene 1,2,3,4-tetrahydride|Naphthalene, 1,2,3,4-tetrahydro-|NSC 77451|Tetrahydronaphthalene|TETRAHYDRONAPHTHALENE, 1,2,3,4-|tetralene|Tetralina|Tetraline|Tetranap|UNII-FT6XMI58YQ https://comptox.epa.gov/dashboard/chemical/details/DTXSID1026118 https://doi.org/10.22427/NTP-DATA-DTXSID1026118
ARPathway2016 ARPathway2016_274 Tetramethrin 7696-12-0 DTXSID6032649 1.0 AR Pathway Model, Agonist AC50 76.97674149 uM CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C Tetramethrin 7696-12-0|Tetramethrin|(1-Cyclohexane-1,2-dicarboximido)methyl chrysanthemumate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemumate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl) methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1-(Cyclohexene-1,2-dicarboximido)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|1-Cyclohexene-1,2-dicarboximidomethyl-2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid ester withN-(hydroxymethyl)-1-cyclohexene-1,2-dicarboximide|2,3,4,5-Tetrahydrophthalimidomethylchrysanthemate|3,4,5,6-Tetrahydro-phthalimidomethylester der dl-cis-trans-chrysanthemumsaeure|3,4,5,6-Tetrahydrophthalimidomethyl (+-)-cis-trans|16047-22-6|2735-98-0|28643-67-6|28752-93-4|66525-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032649
ARPathway2016 ARPathway2016_274 Tetramethrin 7696-12-0 DTXSID6032649 1.0 AR Pathway Model, Agonist ACC 56.81361373 uM CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C Tetramethrin 7696-12-0|Tetramethrin|(1-Cyclohexane-1,2-dicarboximido)methyl chrysanthemumate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemumate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl) methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1-(Cyclohexene-1,2-dicarboximido)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|1-Cyclohexene-1,2-dicarboximidomethyl-2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid ester withN-(hydroxymethyl)-1-cyclohexene-1,2-dicarboximide|2,3,4,5-Tetrahydrophthalimidomethylchrysanthemate|3,4,5,6-Tetrahydro-phthalimidomethylester der dl-cis-trans-chrysanthemumsaeure|3,4,5,6-Tetrahydrophthalimidomethyl (+-)-cis-trans|16047-22-6|2735-98-0|28643-67-6|28752-93-4|66525-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032649
ARPathway2016 ARPathway2016_274 Tetramethrin 7696-12-0 DTXSID6032649 1.0 AR Pathway Model, Antagonist Model Score 0.0475 Unitless CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C Tetramethrin 7696-12-0|Tetramethrin|(1-Cyclohexane-1,2-dicarboximido)methyl chrysanthemumate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemumate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl) methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1-(Cyclohexene-1,2-dicarboximido)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|1-Cyclohexene-1,2-dicarboximidomethyl-2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid ester withN-(hydroxymethyl)-1-cyclohexene-1,2-dicarboximide|2,3,4,5-Tetrahydrophthalimidomethylchrysanthemate|3,4,5,6-Tetrahydro-phthalimidomethylester der dl-cis-trans-chrysanthemumsaeure|3,4,5,6-Tetrahydrophthalimidomethyl (+-)-cis-trans|16047-22-6|2735-98-0|28643-67-6|28752-93-4|66525-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032649
ARPathway2016 ARPathway2016_274 Tetramethrin 7696-12-0 DTXSID6032649 1.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C Tetramethrin 7696-12-0|Tetramethrin|(1-Cyclohexane-1,2-dicarboximido)methyl chrysanthemumate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemumate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl) methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1-(Cyclohexene-1,2-dicarboximido)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|1-Cyclohexene-1,2-dicarboximidomethyl-2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid ester withN-(hydroxymethyl)-1-cyclohexene-1,2-dicarboximide|2,3,4,5-Tetrahydrophthalimidomethylchrysanthemate|3,4,5,6-Tetrahydro-phthalimidomethylester der dl-cis-trans-chrysanthemumsaeure|3,4,5,6-Tetrahydrophthalimidomethyl (+-)-cis-trans|16047-22-6|2735-98-0|28643-67-6|28752-93-4|66525-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032649
ARPathway2016 ARPathway2016_274 Tetramethrin 7696-12-0 DTXSID6032649 1.0 AR Pathway Model, Agonist Call Active Unitless CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C Tetramethrin 7696-12-0|Tetramethrin|(1-Cyclohexane-1,2-dicarboximido)methyl chrysanthemumate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemumate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl) methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1-(Cyclohexene-1,2-dicarboximido)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|1-Cyclohexene-1,2-dicarboximidomethyl-2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid ester withN-(hydroxymethyl)-1-cyclohexene-1,2-dicarboximide|2,3,4,5-Tetrahydrophthalimidomethylchrysanthemate|3,4,5,6-Tetrahydro-phthalimidomethylester der dl-cis-trans-chrysanthemumsaeure|3,4,5,6-Tetrahydrophthalimidomethyl (+-)-cis-trans|16047-22-6|2735-98-0|28643-67-6|28752-93-4|66525-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032649
ARPathway2016 ARPathway2016_274 Tetramethrin 7696-12-0 DTXSID6032649 1.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C Tetramethrin 7696-12-0|Tetramethrin|(1-Cyclohexane-1,2-dicarboximido)methyl chrysanthemumate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemumate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl) methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1-(Cyclohexene-1,2-dicarboximido)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|1-Cyclohexene-1,2-dicarboximidomethyl-2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid ester withN-(hydroxymethyl)-1-cyclohexene-1,2-dicarboximide|2,3,4,5-Tetrahydrophthalimidomethylchrysanthemate|3,4,5,6-Tetrahydro-phthalimidomethylester der dl-cis-trans-chrysanthemumsaeure|3,4,5,6-Tetrahydrophthalimidomethyl (+-)-cis-trans|16047-22-6|2735-98-0|28643-67-6|28752-93-4|66525-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032649
ERPathway2016 ERPathway2016_669 Tetramethrin 7696-12-0 DTXSID6032649 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C Tetramethrin 7696-12-0|Tetramethrin|(1-Cyclohexane-1,2-dicarboximido)methyl chrysanthemumate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemumate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl) methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1-(Cyclohexene-1,2-dicarboximido)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|1-Cyclohexene-1,2-dicarboximidomethyl-2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid ester withN-(hydroxymethyl)-1-cyclohexene-1,2-dicarboximide|2,3,4,5-Tetrahydrophthalimidomethylchrysanthemate|3,4,5,6-Tetrahydro-phthalimidomethylester der dl-cis-trans-chrysanthemumsaeure|3,4,5,6-Tetrahydrophthalimidomethyl (+-)-cis-trans|16047-22-6|2735-98-0|28643-67-6|28752-93-4|66525-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032649
ERPathway2016 ERPathway2016_669 Tetramethrin 7696-12-0 DTXSID6032649 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C Tetramethrin 7696-12-0|Tetramethrin|(1-Cyclohexane-1,2-dicarboximido)methyl chrysanthemumate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemumate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl) methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1-(Cyclohexene-1,2-dicarboximido)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|1-Cyclohexene-1,2-dicarboximidomethyl-2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid ester withN-(hydroxymethyl)-1-cyclohexene-1,2-dicarboximide|2,3,4,5-Tetrahydrophthalimidomethylchrysanthemate|3,4,5,6-Tetrahydro-phthalimidomethylester der dl-cis-trans-chrysanthemumsaeure|3,4,5,6-Tetrahydrophthalimidomethyl (+-)-cis-trans|16047-22-6|2735-98-0|28643-67-6|28752-93-4|66525-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032649
ERPathway2016 ERPathway2016_669 Tetramethrin 7696-12-0 DTXSID6032649 ER Pathway Model, Agonist Call Inactive Unitless CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C Tetramethrin 7696-12-0|Tetramethrin|(1-Cyclohexane-1,2-dicarboximido)methyl chrysanthemumate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemumate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl) methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1-(Cyclohexene-1,2-dicarboximido)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|1-Cyclohexene-1,2-dicarboximidomethyl-2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid ester withN-(hydroxymethyl)-1-cyclohexene-1,2-dicarboximide|2,3,4,5-Tetrahydrophthalimidomethylchrysanthemate|3,4,5,6-Tetrahydro-phthalimidomethylester der dl-cis-trans-chrysanthemumsaeure|3,4,5,6-Tetrahydrophthalimidomethyl (+-)-cis-trans|16047-22-6|2735-98-0|28643-67-6|28752-93-4|66525-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032649
ERPathway2016 ERPathway2016_669 Tetramethrin 7696-12-0 DTXSID6032649 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C Tetramethrin 7696-12-0|Tetramethrin|(1-Cyclohexane-1,2-dicarboximido)methyl chrysanthemumate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemate|(1-Cyclohexene-1,2-dicarboximido)methyl chrysanthemumate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl) methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|(1,3,4,5,6,7-Hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate|1-(Cyclohexene-1,2-dicarboximido)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate|1-Cyclohexene-1,2-dicarboximidomethyl-2,2-dimethyl-3-(2-methylpropenyl)cyclopropane carboxylate|2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester|2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid ester withN-(hydroxymethyl)-1-cyclohexene-1,2-dicarboximide|2,3,4,5-Tetrahydrophthalimidomethylchrysanthemate|3,4,5,6-Tetrahydro-phthalimidomethylester der dl-cis-trans-chrysanthemumsaeure|3,4,5,6-Tetrahydrophthalimidomethyl (+-)-cis-trans|16047-22-6|2735-98-0|28643-67-6|28752-93-4|66525-27-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6032649
ARPathway2016 ARPathway2016_1481 Tetrapropyl orthosilicate 682-01-9 DTXSID9042382 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCO[Si](OCCC)(OCCC)OCCC Tetrapropyl orthosilicate 682-01-9|Tetrapropyl orthosilicate|EINECS 211-659-0|Silicic acid (H4SiO4), tetrapropyl ester|Tetrapropoxysilane|Tetrapropyl silicate|UNII-4PE821G3GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042382
ARPathway2016 ARPathway2016_1481 Tetrapropyl orthosilicate 682-01-9 DTXSID9042382 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCO[Si](OCCC)(OCCC)OCCC Tetrapropyl orthosilicate 682-01-9|Tetrapropyl orthosilicate|EINECS 211-659-0|Silicic acid (H4SiO4), tetrapropyl ester|Tetrapropoxysilane|Tetrapropyl silicate|UNII-4PE821G3GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042382
ARPathway2016 ARPathway2016_1481 Tetrapropyl orthosilicate 682-01-9 DTXSID9042382 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCO[Si](OCCC)(OCCC)OCCC Tetrapropyl orthosilicate 682-01-9|Tetrapropyl orthosilicate|EINECS 211-659-0|Silicic acid (H4SiO4), tetrapropyl ester|Tetrapropoxysilane|Tetrapropyl silicate|UNII-4PE821G3GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042382
ARPathway2016 ARPathway2016_1481 Tetrapropyl orthosilicate 682-01-9 DTXSID9042382 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCO[Si](OCCC)(OCCC)OCCC Tetrapropyl orthosilicate 682-01-9|Tetrapropyl orthosilicate|EINECS 211-659-0|Silicic acid (H4SiO4), tetrapropyl ester|Tetrapropoxysilane|Tetrapropyl silicate|UNII-4PE821G3GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042382
ERPathway2016 ERPathway2016_826 Tetrapropyl orthosilicate 682-01-9 DTXSID9042382 A6 ER Pathway Model, Agonist Model Score 0 Unitless CCCO[Si](OCCC)(OCCC)OCCC Tetrapropyl orthosilicate 682-01-9|Tetrapropyl orthosilicate|EINECS 211-659-0|Silicic acid (H4SiO4), tetrapropyl ester|Tetrapropoxysilane|Tetrapropyl silicate|UNII-4PE821G3GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042382
ERPathway2016 ERPathway2016_826 Tetrapropyl orthosilicate 682-01-9 DTXSID9042382 A6 ER Pathway Model, Antagonist Model Score 0 Unitless CCCO[Si](OCCC)(OCCC)OCCC Tetrapropyl orthosilicate 682-01-9|Tetrapropyl orthosilicate|EINECS 211-659-0|Silicic acid (H4SiO4), tetrapropyl ester|Tetrapropoxysilane|Tetrapropyl silicate|UNII-4PE821G3GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042382
ERPathway2016 ERPathway2016_826 Tetrapropyl orthosilicate 682-01-9 DTXSID9042382 A6 ER Pathway Model, Agonist Call Inactive Unitless CCCO[Si](OCCC)(OCCC)OCCC Tetrapropyl orthosilicate 682-01-9|Tetrapropyl orthosilicate|EINECS 211-659-0|Silicic acid (H4SiO4), tetrapropyl ester|Tetrapropoxysilane|Tetrapropyl silicate|UNII-4PE821G3GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042382
ERPathway2016 ERPathway2016_826 Tetrapropyl orthosilicate 682-01-9 DTXSID9042382 A6 ER Pathway Model, Antagonist Call Inactive Unitless CCCO[Si](OCCC)(OCCC)OCCC Tetrapropyl orthosilicate 682-01-9|Tetrapropyl orthosilicate|EINECS 211-659-0|Silicic acid (H4SiO4), tetrapropyl ester|Tetrapropoxysilane|Tetrapropyl silicate|UNII-4PE821G3GH https://comptox.epa.gov/dashboard/chemical/details/DTXSID9042382
ARPathway2016 ARPathway2016_1244 Thalidomide 50-35-1 DTXSID9022524 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12 Thalidomide 50-35-1|Thalidomide|(+/-)-Thalidomide|(+-)-Thalidomide|1,3-Dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline|1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-|2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione|2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione|2-(2,6-Dioxopiperidin-3-yl)isoindoline-1,3-dione|2-phthalimidoglutarimide|2,6-Dioxo-3-phthalimidopiperidine|3-Phthalimidoglutarimide|Algosediv|alpha-(N-Phthalimido)glutarimide|alpha-N-Phthalylglutaramide|alpha-Phthalimidoglutarimide|Asmadion|Asmaval|Bonbrain|BRN 0030233|Calmore|Calmorex|Celgene|Contergan|Corronarobetin|Distaval|EC No.: 200-031-1|Ectiluran|EINECS 200-031-1|Enterosediv|Gastrinide|Glutanon|Glutarimide, 2-phthalimido-|Grippex|Hippuzon|Imida-lab|Imidene|Kevadon|N-(2,6-Dioxo-3-piperidinyl)phthalimide|N-(2,6-Dioxo-3-piperidyl)phthalimide|N-Phthaloylglutamimide|N-Phthalyl-glutaminsaeure-imid|N-Phthalylglutamic acid imide|Neaufatin|Neosedyn|Neosydyn|Nerosedyn|Neufatin|Neurodyn|Neurosedin|Neurosedym|Neurosedyn|Nevrodyn|Noctosediv|Noxodyn|NSC 527179|NSC 668|14088-68-7|731-40-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022524 https://doi.org/10.22427/NTP-DATA-DTXSID9022524
ARPathway2016 ARPathway2016_1244 Thalidomide 50-35-1 DTXSID9022524 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12 Thalidomide 50-35-1|Thalidomide|(+/-)-Thalidomide|(+-)-Thalidomide|1,3-Dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline|1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-|2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione|2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione|2-(2,6-Dioxopiperidin-3-yl)isoindoline-1,3-dione|2-phthalimidoglutarimide|2,6-Dioxo-3-phthalimidopiperidine|3-Phthalimidoglutarimide|Algosediv|alpha-(N-Phthalimido)glutarimide|alpha-N-Phthalylglutaramide|alpha-Phthalimidoglutarimide|Asmadion|Asmaval|Bonbrain|BRN 0030233|Calmore|Calmorex|Celgene|Contergan|Corronarobetin|Distaval|EC No.: 200-031-1|Ectiluran|EINECS 200-031-1|Enterosediv|Gastrinide|Glutanon|Glutarimide, 2-phthalimido-|Grippex|Hippuzon|Imida-lab|Imidene|Kevadon|N-(2,6-Dioxo-3-piperidinyl)phthalimide|N-(2,6-Dioxo-3-piperidyl)phthalimide|N-Phthaloylglutamimide|N-Phthalyl-glutaminsaeure-imid|N-Phthalylglutamic acid imide|Neaufatin|Neosedyn|Neosydyn|Nerosedyn|Neufatin|Neurodyn|Neurosedin|Neurosedym|Neurosedyn|Nevrodyn|Noctosediv|Noxodyn|NSC 527179|NSC 668|14088-68-7|731-40-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022524 https://doi.org/10.22427/NTP-DATA-DTXSID9022524
ARPathway2016 ARPathway2016_1244 Thalidomide 50-35-1 DTXSID9022524 0.0 AR Pathway Model, Agonist Call Inactive Unitless O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12 Thalidomide 50-35-1|Thalidomide|(+/-)-Thalidomide|(+-)-Thalidomide|1,3-Dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline|1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-|2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione|2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione|2-(2,6-Dioxopiperidin-3-yl)isoindoline-1,3-dione|2-phthalimidoglutarimide|2,6-Dioxo-3-phthalimidopiperidine|3-Phthalimidoglutarimide|Algosediv|alpha-(N-Phthalimido)glutarimide|alpha-N-Phthalylglutaramide|alpha-Phthalimidoglutarimide|Asmadion|Asmaval|Bonbrain|BRN 0030233|Calmore|Calmorex|Celgene|Contergan|Corronarobetin|Distaval|EC No.: 200-031-1|Ectiluran|EINECS 200-031-1|Enterosediv|Gastrinide|Glutanon|Glutarimide, 2-phthalimido-|Grippex|Hippuzon|Imida-lab|Imidene|Kevadon|N-(2,6-Dioxo-3-piperidinyl)phthalimide|N-(2,6-Dioxo-3-piperidyl)phthalimide|N-Phthaloylglutamimide|N-Phthalyl-glutaminsaeure-imid|N-Phthalylglutamic acid imide|Neaufatin|Neosedyn|Neosydyn|Nerosedyn|Neufatin|Neurodyn|Neurosedin|Neurosedym|Neurosedyn|Nevrodyn|Noctosediv|Noxodyn|NSC 527179|NSC 668|14088-68-7|731-40-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022524 https://doi.org/10.22427/NTP-DATA-DTXSID9022524
ARPathway2016 ARPathway2016_1244 Thalidomide 50-35-1 DTXSID9022524 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12 Thalidomide 50-35-1|Thalidomide|(+/-)-Thalidomide|(+-)-Thalidomide|1,3-Dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline|1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-|2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione|2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione|2-(2,6-Dioxopiperidin-3-yl)isoindoline-1,3-dione|2-phthalimidoglutarimide|2,6-Dioxo-3-phthalimidopiperidine|3-Phthalimidoglutarimide|Algosediv|alpha-(N-Phthalimido)glutarimide|alpha-N-Phthalylglutaramide|alpha-Phthalimidoglutarimide|Asmadion|Asmaval|Bonbrain|BRN 0030233|Calmore|Calmorex|Celgene|Contergan|Corronarobetin|Distaval|EC No.: 200-031-1|Ectiluran|EINECS 200-031-1|Enterosediv|Gastrinide|Glutanon|Glutarimide, 2-phthalimido-|Grippex|Hippuzon|Imida-lab|Imidene|Kevadon|N-(2,6-Dioxo-3-piperidinyl)phthalimide|N-(2,6-Dioxo-3-piperidyl)phthalimide|N-Phthaloylglutamimide|N-Phthalyl-glutaminsaeure-imid|N-Phthalylglutamic acid imide|Neaufatin|Neosedyn|Neosydyn|Nerosedyn|Neufatin|Neurodyn|Neurosedin|Neurosedym|Neurosedyn|Nevrodyn|Noctosediv|Noxodyn|NSC 527179|NSC 668|14088-68-7|731-40-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022524 https://doi.org/10.22427/NTP-DATA-DTXSID9022524
ERPathway2016 ERPathway2016_1497 Thalidomide 50-35-1 DTXSID9022524 ER Pathway Model, Agonist Model Score 0 Unitless O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12 Thalidomide 50-35-1|Thalidomide|(+/-)-Thalidomide|(+-)-Thalidomide|1,3-Dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline|1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-|2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione|2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione|2-(2,6-Dioxopiperidin-3-yl)isoindoline-1,3-dione|2-phthalimidoglutarimide|2,6-Dioxo-3-phthalimidopiperidine|3-Phthalimidoglutarimide|Algosediv|alpha-(N-Phthalimido)glutarimide|alpha-N-Phthalylglutaramide|alpha-Phthalimidoglutarimide|Asmadion|Asmaval|Bonbrain|BRN 0030233|Calmore|Calmorex|Celgene|Contergan|Corronarobetin|Distaval|EC No.: 200-031-1|Ectiluran|EINECS 200-031-1|Enterosediv|Gastrinide|Glutanon|Glutarimide, 2-phthalimido-|Grippex|Hippuzon|Imida-lab|Imidene|Kevadon|N-(2,6-Dioxo-3-piperidinyl)phthalimide|N-(2,6-Dioxo-3-piperidyl)phthalimide|N-Phthaloylglutamimide|N-Phthalyl-glutaminsaeure-imid|N-Phthalylglutamic acid imide|Neaufatin|Neosedyn|Neosydyn|Nerosedyn|Neufatin|Neurodyn|Neurosedin|Neurosedym|Neurosedyn|Nevrodyn|Noctosediv|Noxodyn|NSC 527179|NSC 668|14088-68-7|731-40-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022524 https://doi.org/10.22427/NTP-DATA-DTXSID9022524
ERPathway2016 ERPathway2016_1497 Thalidomide 50-35-1 DTXSID9022524 ER Pathway Model, Antagonist Model Score 0 Unitless O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12 Thalidomide 50-35-1|Thalidomide|(+/-)-Thalidomide|(+-)-Thalidomide|1,3-Dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline|1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-|2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione|2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione|2-(2,6-Dioxopiperidin-3-yl)isoindoline-1,3-dione|2-phthalimidoglutarimide|2,6-Dioxo-3-phthalimidopiperidine|3-Phthalimidoglutarimide|Algosediv|alpha-(N-Phthalimido)glutarimide|alpha-N-Phthalylglutaramide|alpha-Phthalimidoglutarimide|Asmadion|Asmaval|Bonbrain|BRN 0030233|Calmore|Calmorex|Celgene|Contergan|Corronarobetin|Distaval|EC No.: 200-031-1|Ectiluran|EINECS 200-031-1|Enterosediv|Gastrinide|Glutanon|Glutarimide, 2-phthalimido-|Grippex|Hippuzon|Imida-lab|Imidene|Kevadon|N-(2,6-Dioxo-3-piperidinyl)phthalimide|N-(2,6-Dioxo-3-piperidyl)phthalimide|N-Phthaloylglutamimide|N-Phthalyl-glutaminsaeure-imid|N-Phthalylglutamic acid imide|Neaufatin|Neosedyn|Neosydyn|Nerosedyn|Neufatin|Neurodyn|Neurosedin|Neurosedym|Neurosedyn|Nevrodyn|Noctosediv|Noxodyn|NSC 527179|NSC 668|14088-68-7|731-40-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022524 https://doi.org/10.22427/NTP-DATA-DTXSID9022524
ERPathway2016 ERPathway2016_1497 Thalidomide 50-35-1 DTXSID9022524 ER Pathway Model, Agonist Call Inactive Unitless O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12 Thalidomide 50-35-1|Thalidomide|(+/-)-Thalidomide|(+-)-Thalidomide|1,3-Dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline|1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-|2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione|2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione|2-(2,6-Dioxopiperidin-3-yl)isoindoline-1,3-dione|2-phthalimidoglutarimide|2,6-Dioxo-3-phthalimidopiperidine|3-Phthalimidoglutarimide|Algosediv|alpha-(N-Phthalimido)glutarimide|alpha-N-Phthalylglutaramide|alpha-Phthalimidoglutarimide|Asmadion|Asmaval|Bonbrain|BRN 0030233|Calmore|Calmorex|Celgene|Contergan|Corronarobetin|Distaval|EC No.: 200-031-1|Ectiluran|EINECS 200-031-1|Enterosediv|Gastrinide|Glutanon|Glutarimide, 2-phthalimido-|Grippex|Hippuzon|Imida-lab|Imidene|Kevadon|N-(2,6-Dioxo-3-piperidinyl)phthalimide|N-(2,6-Dioxo-3-piperidyl)phthalimide|N-Phthaloylglutamimide|N-Phthalyl-glutaminsaeure-imid|N-Phthalylglutamic acid imide|Neaufatin|Neosedyn|Neosydyn|Nerosedyn|Neufatin|Neurodyn|Neurosedin|Neurosedym|Neurosedyn|Nevrodyn|Noctosediv|Noxodyn|NSC 527179|NSC 668|14088-68-7|731-40-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022524 https://doi.org/10.22427/NTP-DATA-DTXSID9022524
ERPathway2016 ERPathway2016_1497 Thalidomide 50-35-1 DTXSID9022524 ER Pathway Model, Antagonist Call Inactive Unitless O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12 Thalidomide 50-35-1|Thalidomide|(+/-)-Thalidomide|(+-)-Thalidomide|1,3-Dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline|1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-|2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione|2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione|2-(2,6-Dioxopiperidin-3-yl)isoindoline-1,3-dione|2-phthalimidoglutarimide|2,6-Dioxo-3-phthalimidopiperidine|3-Phthalimidoglutarimide|Algosediv|alpha-(N-Phthalimido)glutarimide|alpha-N-Phthalylglutaramide|alpha-Phthalimidoglutarimide|Asmadion|Asmaval|Bonbrain|BRN 0030233|Calmore|Calmorex|Celgene|Contergan|Corronarobetin|Distaval|EC No.: 200-031-1|Ectiluran|EINECS 200-031-1|Enterosediv|Gastrinide|Glutanon|Glutarimide, 2-phthalimido-|Grippex|Hippuzon|Imida-lab|Imidene|Kevadon|N-(2,6-Dioxo-3-piperidinyl)phthalimide|N-(2,6-Dioxo-3-piperidyl)phthalimide|N-Phthaloylglutamimide|N-Phthalyl-glutaminsaeure-imid|N-Phthalylglutamic acid imide|Neaufatin|Neosedyn|Neosydyn|Nerosedyn|Neufatin|Neurodyn|Neurosedin|Neurosedym|Neurosedyn|Nevrodyn|Noctosediv|Noxodyn|NSC 527179|NSC 668|14088-68-7|731-40-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9022524 https://doi.org/10.22427/NTP-DATA-DTXSID9022524
ARPathway2016 ARPathway2016_1633 Theobromine 83-67-0 DTXSID9026132 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN1C=NC2=C1C(=O)NC(=O)N2C Theobromine 83-67-0|Theobromine|1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-|2,6-Dihydroxy-3,7-dimethyl-purine|3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione|3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione|3,7-Dimethyl-xanthine|3,7-dimethylpurine-2,6-dione|3,7-Dimethylxanthine|5-26-13-00553|BRN 0016464|Diurobromine|EINECS 201-494-2|FEMA No. 3591|NSC 5039|PURINE(1H)-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL-|Santheose|Teobromin|teobromina|Theobromin|THEOBROMINE (3,7-DIMEXANTHINE)|Theosalvose|Theostene|Thesodate|UNII-OBD445WZ5P|Xanthine, 3,7-dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026132 https://doi.org/10.22427/NTP-DATA-DTXSID9026132
ARPathway2016 ARPathway2016_1633 Theobromine 83-67-0 DTXSID9026132 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN1C=NC2=C1C(=O)NC(=O)N2C Theobromine 83-67-0|Theobromine|1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-|2,6-Dihydroxy-3,7-dimethyl-purine|3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione|3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione|3,7-Dimethyl-xanthine|3,7-dimethylpurine-2,6-dione|3,7-Dimethylxanthine|5-26-13-00553|BRN 0016464|Diurobromine|EINECS 201-494-2|FEMA No. 3591|NSC 5039|PURINE(1H)-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL-|Santheose|Teobromin|teobromina|Theobromin|THEOBROMINE (3,7-DIMEXANTHINE)|Theosalvose|Theostene|Thesodate|UNII-OBD445WZ5P|Xanthine, 3,7-dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026132 https://doi.org/10.22427/NTP-DATA-DTXSID9026132
ARPathway2016 ARPathway2016_1633 Theobromine 83-67-0 DTXSID9026132 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN1C=NC2=C1C(=O)NC(=O)N2C Theobromine 83-67-0|Theobromine|1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-|2,6-Dihydroxy-3,7-dimethyl-purine|3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione|3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione|3,7-Dimethyl-xanthine|3,7-dimethylpurine-2,6-dione|3,7-Dimethylxanthine|5-26-13-00553|BRN 0016464|Diurobromine|EINECS 201-494-2|FEMA No. 3591|NSC 5039|PURINE(1H)-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL-|Santheose|Teobromin|teobromina|Theobromin|THEOBROMINE (3,7-DIMEXANTHINE)|Theosalvose|Theostene|Thesodate|UNII-OBD445WZ5P|Xanthine, 3,7-dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026132 https://doi.org/10.22427/NTP-DATA-DTXSID9026132
ARPathway2016 ARPathway2016_1633 Theobromine 83-67-0 DTXSID9026132 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN1C=NC2=C1C(=O)NC(=O)N2C Theobromine 83-67-0|Theobromine|1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-|2,6-Dihydroxy-3,7-dimethyl-purine|3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione|3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione|3,7-Dimethyl-xanthine|3,7-dimethylpurine-2,6-dione|3,7-Dimethylxanthine|5-26-13-00553|BRN 0016464|Diurobromine|EINECS 201-494-2|FEMA No. 3591|NSC 5039|PURINE(1H)-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL-|Santheose|Teobromin|teobromina|Theobromin|THEOBROMINE (3,7-DIMEXANTHINE)|Theosalvose|Theostene|Thesodate|UNII-OBD445WZ5P|Xanthine, 3,7-dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026132 https://doi.org/10.22427/NTP-DATA-DTXSID9026132
ERPathway2016 ERPathway2016_1697 Theobromine 83-67-0 DTXSID9026132 ER Pathway Model, Agonist Model Score 0 Unitless CN1C=NC2=C1C(=O)NC(=O)N2C Theobromine 83-67-0|Theobromine|1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-|2,6-Dihydroxy-3,7-dimethyl-purine|3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione|3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione|3,7-Dimethyl-xanthine|3,7-dimethylpurine-2,6-dione|3,7-Dimethylxanthine|5-26-13-00553|BRN 0016464|Diurobromine|EINECS 201-494-2|FEMA No. 3591|NSC 5039|PURINE(1H)-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL-|Santheose|Teobromin|teobromina|Theobromin|THEOBROMINE (3,7-DIMEXANTHINE)|Theosalvose|Theostene|Thesodate|UNII-OBD445WZ5P|Xanthine, 3,7-dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026132 https://doi.org/10.22427/NTP-DATA-DTXSID9026132
ERPathway2016 ERPathway2016_1697 Theobromine 83-67-0 DTXSID9026132 ER Pathway Model, Antagonist Model Score 0 Unitless CN1C=NC2=C1C(=O)NC(=O)N2C Theobromine 83-67-0|Theobromine|1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-|2,6-Dihydroxy-3,7-dimethyl-purine|3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione|3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione|3,7-Dimethyl-xanthine|3,7-dimethylpurine-2,6-dione|3,7-Dimethylxanthine|5-26-13-00553|BRN 0016464|Diurobromine|EINECS 201-494-2|FEMA No. 3591|NSC 5039|PURINE(1H)-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL-|Santheose|Teobromin|teobromina|Theobromin|THEOBROMINE (3,7-DIMEXANTHINE)|Theosalvose|Theostene|Thesodate|UNII-OBD445WZ5P|Xanthine, 3,7-dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026132 https://doi.org/10.22427/NTP-DATA-DTXSID9026132
ERPathway2016 ERPathway2016_1697 Theobromine 83-67-0 DTXSID9026132 ER Pathway Model, Agonist Call Inactive Unitless CN1C=NC2=C1C(=O)NC(=O)N2C Theobromine 83-67-0|Theobromine|1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-|2,6-Dihydroxy-3,7-dimethyl-purine|3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione|3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione|3,7-Dimethyl-xanthine|3,7-dimethylpurine-2,6-dione|3,7-Dimethylxanthine|5-26-13-00553|BRN 0016464|Diurobromine|EINECS 201-494-2|FEMA No. 3591|NSC 5039|PURINE(1H)-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL-|Santheose|Teobromin|teobromina|Theobromin|THEOBROMINE (3,7-DIMEXANTHINE)|Theosalvose|Theostene|Thesodate|UNII-OBD445WZ5P|Xanthine, 3,7-dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026132 https://doi.org/10.22427/NTP-DATA-DTXSID9026132
ERPathway2016 ERPathway2016_1697 Theobromine 83-67-0 DTXSID9026132 ER Pathway Model, Antagonist Call Inactive Unitless CN1C=NC2=C1C(=O)NC(=O)N2C Theobromine 83-67-0|Theobromine|1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-|2,6-Dihydroxy-3,7-dimethyl-purine|3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione|3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione|3,7-Dimethyl-xanthine|3,7-dimethylpurine-2,6-dione|3,7-Dimethylxanthine|5-26-13-00553|BRN 0016464|Diurobromine|EINECS 201-494-2|FEMA No. 3591|NSC 5039|PURINE(1H)-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL-|Santheose|Teobromin|teobromina|Theobromin|THEOBROMINE (3,7-DIMEXANTHINE)|Theosalvose|Theostene|Thesodate|UNII-OBD445WZ5P|Xanthine, 3,7-dimethyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026132 https://doi.org/10.22427/NTP-DATA-DTXSID9026132
ARPathway2016 ARPathway2016_1361 Theophylline 58-55-9 DTXSID5021336 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CN1C2=C(NC=N2)C(=O)N(C)C1=O Theophylline 58-55-9|Theophylline|1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3-dimethyl-7H-purine-2,6-dione|1,3-Dimethylxanthine|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-|1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-|3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione|Accurbron|Acet-theocin|Aerobin|Aerolate|Aerolate III|Aerolate SR|Afonilm|Aquaphyllin|Armophylline|Asbron|Asmax|Austyn|Bilordyl|Brochoretard|Bronkodyl|Bronkodyl SR|Cetraphylline|Choledyl SA|Chronophyllin|Constant T|Constant-T|Controfilina 200|Diffumal|Diphyllin|Doraphyllin|Duraphyl|Duraphyllin|Dyspne-Inhal|Egifilin|EINECS 200-385-7|Elixex|Elixicon|Elixomin|Elixophyllin|Elixophyllin SR|Elixophylline|Etheophyl|Euphylline|Euphylong|Insanovin|Labid|Lanophyllin|Liquophylline|Liquorice|Maphylline|Medaphyllin|NSC 2066|Nuelin|Optiphyllin|Parkophyllin|phylobid|Physpan|Pro-Vent|Pseudotheophylline|PulmiDur|Pulmo-Timelets|Purine-2,6(1H,3H)-dione, 1,3-dimethyl-|Quibron T|Quibron T/SR|Quibron-T|Quibron-T/Sr|Respbid|Respicur|Slo-Bid|Slo-Phyllin|Solosin|Somophyllin CRT|Somophyllin T|So|1024160-72-2|111079-49-3|46157-00-0|56645-32-0|75448-53-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021336 https://doi.org/10.22427/NTP-DATA-DTXSID5021336
ARPathway2016 ARPathway2016_1361 Theophylline 58-55-9 DTXSID5021336 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CN1C2=C(NC=N2)C(=O)N(C)C1=O Theophylline 58-55-9|Theophylline|1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3-dimethyl-7H-purine-2,6-dione|1,3-Dimethylxanthine|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-|1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-|3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione|Accurbron|Acet-theocin|Aerobin|Aerolate|Aerolate III|Aerolate SR|Afonilm|Aquaphyllin|Armophylline|Asbron|Asmax|Austyn|Bilordyl|Brochoretard|Bronkodyl|Bronkodyl SR|Cetraphylline|Choledyl SA|Chronophyllin|Constant T|Constant-T|Controfilina 200|Diffumal|Diphyllin|Doraphyllin|Duraphyl|Duraphyllin|Dyspne-Inhal|Egifilin|EINECS 200-385-7|Elixex|Elixicon|Elixomin|Elixophyllin|Elixophyllin SR|Elixophylline|Etheophyl|Euphylline|Euphylong|Insanovin|Labid|Lanophyllin|Liquophylline|Liquorice|Maphylline|Medaphyllin|NSC 2066|Nuelin|Optiphyllin|Parkophyllin|phylobid|Physpan|Pro-Vent|Pseudotheophylline|PulmiDur|Pulmo-Timelets|Purine-2,6(1H,3H)-dione, 1,3-dimethyl-|Quibron T|Quibron T/SR|Quibron-T|Quibron-T/Sr|Respbid|Respicur|Slo-Bid|Slo-Phyllin|Solosin|Somophyllin CRT|Somophyllin T|So|1024160-72-2|111079-49-3|46157-00-0|56645-32-0|75448-53-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021336 https://doi.org/10.22427/NTP-DATA-DTXSID5021336
ARPathway2016 ARPathway2016_1361 Theophylline 58-55-9 DTXSID5021336 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CN1C2=C(NC=N2)C(=O)N(C)C1=O Theophylline 58-55-9|Theophylline|1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3-dimethyl-7H-purine-2,6-dione|1,3-Dimethylxanthine|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-|1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-|3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione|Accurbron|Acet-theocin|Aerobin|Aerolate|Aerolate III|Aerolate SR|Afonilm|Aquaphyllin|Armophylline|Asbron|Asmax|Austyn|Bilordyl|Brochoretard|Bronkodyl|Bronkodyl SR|Cetraphylline|Choledyl SA|Chronophyllin|Constant T|Constant-T|Controfilina 200|Diffumal|Diphyllin|Doraphyllin|Duraphyl|Duraphyllin|Dyspne-Inhal|Egifilin|EINECS 200-385-7|Elixex|Elixicon|Elixomin|Elixophyllin|Elixophyllin SR|Elixophylline|Etheophyl|Euphylline|Euphylong|Insanovin|Labid|Lanophyllin|Liquophylline|Liquorice|Maphylline|Medaphyllin|NSC 2066|Nuelin|Optiphyllin|Parkophyllin|phylobid|Physpan|Pro-Vent|Pseudotheophylline|PulmiDur|Pulmo-Timelets|Purine-2,6(1H,3H)-dione, 1,3-dimethyl-|Quibron T|Quibron T/SR|Quibron-T|Quibron-T/Sr|Respbid|Respicur|Slo-Bid|Slo-Phyllin|Solosin|Somophyllin CRT|Somophyllin T|So|1024160-72-2|111079-49-3|46157-00-0|56645-32-0|75448-53-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021336 https://doi.org/10.22427/NTP-DATA-DTXSID5021336
ARPathway2016 ARPathway2016_1361 Theophylline 58-55-9 DTXSID5021336 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CN1C2=C(NC=N2)C(=O)N(C)C1=O Theophylline 58-55-9|Theophylline|1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3-dimethyl-7H-purine-2,6-dione|1,3-Dimethylxanthine|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-|1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-|3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione|Accurbron|Acet-theocin|Aerobin|Aerolate|Aerolate III|Aerolate SR|Afonilm|Aquaphyllin|Armophylline|Asbron|Asmax|Austyn|Bilordyl|Brochoretard|Bronkodyl|Bronkodyl SR|Cetraphylline|Choledyl SA|Chronophyllin|Constant T|Constant-T|Controfilina 200|Diffumal|Diphyllin|Doraphyllin|Duraphyl|Duraphyllin|Dyspne-Inhal|Egifilin|EINECS 200-385-7|Elixex|Elixicon|Elixomin|Elixophyllin|Elixophyllin SR|Elixophylline|Etheophyl|Euphylline|Euphylong|Insanovin|Labid|Lanophyllin|Liquophylline|Liquorice|Maphylline|Medaphyllin|NSC 2066|Nuelin|Optiphyllin|Parkophyllin|phylobid|Physpan|Pro-Vent|Pseudotheophylline|PulmiDur|Pulmo-Timelets|Purine-2,6(1H,3H)-dione, 1,3-dimethyl-|Quibron T|Quibron T/SR|Quibron-T|Quibron-T/Sr|Respbid|Respicur|Slo-Bid|Slo-Phyllin|Solosin|Somophyllin CRT|Somophyllin T|So|1024160-72-2|111079-49-3|46157-00-0|56645-32-0|75448-53-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021336 https://doi.org/10.22427/NTP-DATA-DTXSID5021336
ERPathway2016 ERPathway2016_1558 Theophylline 58-55-9 DTXSID5021336 ER Pathway Model, Agonist Model Score 0 Unitless CN1C2=C(NC=N2)C(=O)N(C)C1=O Theophylline 58-55-9|Theophylline|1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3-dimethyl-7H-purine-2,6-dione|1,3-Dimethylxanthine|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-|1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-|3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione|Accurbron|Acet-theocin|Aerobin|Aerolate|Aerolate III|Aerolate SR|Afonilm|Aquaphyllin|Armophylline|Asbron|Asmax|Austyn|Bilordyl|Brochoretard|Bronkodyl|Bronkodyl SR|Cetraphylline|Choledyl SA|Chronophyllin|Constant T|Constant-T|Controfilina 200|Diffumal|Diphyllin|Doraphyllin|Duraphyl|Duraphyllin|Dyspne-Inhal|Egifilin|EINECS 200-385-7|Elixex|Elixicon|Elixomin|Elixophyllin|Elixophyllin SR|Elixophylline|Etheophyl|Euphylline|Euphylong|Insanovin|Labid|Lanophyllin|Liquophylline|Liquorice|Maphylline|Medaphyllin|NSC 2066|Nuelin|Optiphyllin|Parkophyllin|phylobid|Physpan|Pro-Vent|Pseudotheophylline|PulmiDur|Pulmo-Timelets|Purine-2,6(1H,3H)-dione, 1,3-dimethyl-|Quibron T|Quibron T/SR|Quibron-T|Quibron-T/Sr|Respbid|Respicur|Slo-Bid|Slo-Phyllin|Solosin|Somophyllin CRT|Somophyllin T|So|1024160-72-2|111079-49-3|46157-00-0|56645-32-0|75448-53-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021336 https://doi.org/10.22427/NTP-DATA-DTXSID5021336
ERPathway2016 ERPathway2016_1558 Theophylline 58-55-9 DTXSID5021336 ER Pathway Model, Antagonist Model Score 0 Unitless CN1C2=C(NC=N2)C(=O)N(C)C1=O Theophylline 58-55-9|Theophylline|1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3-dimethyl-7H-purine-2,6-dione|1,3-Dimethylxanthine|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-|1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-|3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione|Accurbron|Acet-theocin|Aerobin|Aerolate|Aerolate III|Aerolate SR|Afonilm|Aquaphyllin|Armophylline|Asbron|Asmax|Austyn|Bilordyl|Brochoretard|Bronkodyl|Bronkodyl SR|Cetraphylline|Choledyl SA|Chronophyllin|Constant T|Constant-T|Controfilina 200|Diffumal|Diphyllin|Doraphyllin|Duraphyl|Duraphyllin|Dyspne-Inhal|Egifilin|EINECS 200-385-7|Elixex|Elixicon|Elixomin|Elixophyllin|Elixophyllin SR|Elixophylline|Etheophyl|Euphylline|Euphylong|Insanovin|Labid|Lanophyllin|Liquophylline|Liquorice|Maphylline|Medaphyllin|NSC 2066|Nuelin|Optiphyllin|Parkophyllin|phylobid|Physpan|Pro-Vent|Pseudotheophylline|PulmiDur|Pulmo-Timelets|Purine-2,6(1H,3H)-dione, 1,3-dimethyl-|Quibron T|Quibron T/SR|Quibron-T|Quibron-T/Sr|Respbid|Respicur|Slo-Bid|Slo-Phyllin|Solosin|Somophyllin CRT|Somophyllin T|So|1024160-72-2|111079-49-3|46157-00-0|56645-32-0|75448-53-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021336 https://doi.org/10.22427/NTP-DATA-DTXSID5021336
ERPathway2016 ERPathway2016_1558 Theophylline 58-55-9 DTXSID5021336 ER Pathway Model, Agonist Call Inactive Unitless CN1C2=C(NC=N2)C(=O)N(C)C1=O Theophylline 58-55-9|Theophylline|1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3-dimethyl-7H-purine-2,6-dione|1,3-Dimethylxanthine|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-|1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-|3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione|Accurbron|Acet-theocin|Aerobin|Aerolate|Aerolate III|Aerolate SR|Afonilm|Aquaphyllin|Armophylline|Asbron|Asmax|Austyn|Bilordyl|Brochoretard|Bronkodyl|Bronkodyl SR|Cetraphylline|Choledyl SA|Chronophyllin|Constant T|Constant-T|Controfilina 200|Diffumal|Diphyllin|Doraphyllin|Duraphyl|Duraphyllin|Dyspne-Inhal|Egifilin|EINECS 200-385-7|Elixex|Elixicon|Elixomin|Elixophyllin|Elixophyllin SR|Elixophylline|Etheophyl|Euphylline|Euphylong|Insanovin|Labid|Lanophyllin|Liquophylline|Liquorice|Maphylline|Medaphyllin|NSC 2066|Nuelin|Optiphyllin|Parkophyllin|phylobid|Physpan|Pro-Vent|Pseudotheophylline|PulmiDur|Pulmo-Timelets|Purine-2,6(1H,3H)-dione, 1,3-dimethyl-|Quibron T|Quibron T/SR|Quibron-T|Quibron-T/Sr|Respbid|Respicur|Slo-Bid|Slo-Phyllin|Solosin|Somophyllin CRT|Somophyllin T|So|1024160-72-2|111079-49-3|46157-00-0|56645-32-0|75448-53-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021336 https://doi.org/10.22427/NTP-DATA-DTXSID5021336
ERPathway2016 ERPathway2016_1558 Theophylline 58-55-9 DTXSID5021336 ER Pathway Model, Antagonist Call Inactive Unitless CN1C2=C(NC=N2)C(=O)N(C)C1=O Theophylline 58-55-9|Theophylline|1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|1,3-dimethyl-7H-purine-2,6-dione|1,3-Dimethylxanthine|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-|1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-|3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione|Accurbron|Acet-theocin|Aerobin|Aerolate|Aerolate III|Aerolate SR|Afonilm|Aquaphyllin|Armophylline|Asbron|Asmax|Austyn|Bilordyl|Brochoretard|Bronkodyl|Bronkodyl SR|Cetraphylline|Choledyl SA|Chronophyllin|Constant T|Constant-T|Controfilina 200|Diffumal|Diphyllin|Doraphyllin|Duraphyl|Duraphyllin|Dyspne-Inhal|Egifilin|EINECS 200-385-7|Elixex|Elixicon|Elixomin|Elixophyllin|Elixophyllin SR|Elixophylline|Etheophyl|Euphylline|Euphylong|Insanovin|Labid|Lanophyllin|Liquophylline|Liquorice|Maphylline|Medaphyllin|NSC 2066|Nuelin|Optiphyllin|Parkophyllin|phylobid|Physpan|Pro-Vent|Pseudotheophylline|PulmiDur|Pulmo-Timelets|Purine-2,6(1H,3H)-dione, 1,3-dimethyl-|Quibron T|Quibron T/SR|Quibron-T|Quibron-T/Sr|Respbid|Respicur|Slo-Bid|Slo-Phyllin|Solosin|Somophyllin CRT|Somophyllin T|So|1024160-72-2|111079-49-3|46157-00-0|56645-32-0|75448-53-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021336 https://doi.org/10.22427/NTP-DATA-DTXSID5021336
ARPathway2016 ARPathway2016_871 Thiabendazole 148-79-8 DTXSID0021337 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless N1C2=C(C=CC=C2)N=C1C1=CSC=N1 Thiabendazole 148-79-8|Thiabendazole|1H-Benzimidazole, 2-(4-thiazolyl)-|2-(1,3-Thiazol-4-yl)-1H-benzimidazole|2-(1,3-Thiazol-4-yl)benzimidazole|2-(4-Thiazolyl)-1H-benzimidazole|2-(4-Thiazolyl)-1H-benzoimidazole|2-(4-THIAZOLYL)BENZIMIDAZOLE|2-(4-Triazolyl)benzimidazole|2-(4'-Thiazolyl)benzimidazole|2-(4'-Thiazoyl)benzimidazole|2-(thiazol-4-yl)benzimidazole|2-Thiazole-4-ylbenzimidazole|4-(1H-Benzimidazol-2-yl)thiazole|4-(2-Benzimidazolyl)thiazole|5-(4-Thiazolyl)benzimidazole|Amolden HS|APL-luster|Benzimidazole, 2-(4-thiazolyl)-|BENZIMIDAZOLE[1H], 2-(4-THIAZOLYL)-|Biogard|Bioguard|Bovizole|BRN 0611403|Captan T|Caswell No. 849A|Chemviron TK 100|Cropasal|Drawipas|EINECS 205-725-8|EPA Pesticide Chemical Code 060101|Eprofil|Equizole|Helmindrax octelmin|Hokustar HP|Irgaguard F 3000|Lombristop|Marukacide M 101|Mertect|Mertect 160|Mertect 340F|Mertect LSP|Metasol TK 100|Metasol TK 25|Metasol TK 25AD|Metasol TK 50AD|Metasol TK-100|Mintesol|Mintezol|Mintezole|Minzolum|MK360|Mycozol|Nemapan|NSC 525040|NSC 90507|Omnizole|Ormogal|Pitrizet|Polival|RTU Flowable |1135441-27-8|123242-33-1|145316-67-2|1983131-69-6|8018-04-0|8027-10-9|8028-27-1|94977-06-7|98002-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021337 https://doi.org/10.22427/NTP-DATA-DTXSID0021337
ARPathway2016 ARPathway2016_871 Thiabendazole 148-79-8 DTXSID0021337 0.0 AR Pathway Model, Agonist Model Score 0 Unitless N1C2=C(C=CC=C2)N=C1C1=CSC=N1 Thiabendazole 148-79-8|Thiabendazole|1H-Benzimidazole, 2-(4-thiazolyl)-|2-(1,3-Thiazol-4-yl)-1H-benzimidazole|2-(1,3-Thiazol-4-yl)benzimidazole|2-(4-Thiazolyl)-1H-benzimidazole|2-(4-Thiazolyl)-1H-benzoimidazole|2-(4-THIAZOLYL)BENZIMIDAZOLE|2-(4-Triazolyl)benzimidazole|2-(4'-Thiazolyl)benzimidazole|2-(4'-Thiazoyl)benzimidazole|2-(thiazol-4-yl)benzimidazole|2-Thiazole-4-ylbenzimidazole|4-(1H-Benzimidazol-2-yl)thiazole|4-(2-Benzimidazolyl)thiazole|5-(4-Thiazolyl)benzimidazole|Amolden HS|APL-luster|Benzimidazole, 2-(4-thiazolyl)-|BENZIMIDAZOLE[1H], 2-(4-THIAZOLYL)-|Biogard|Bioguard|Bovizole|BRN 0611403|Captan T|Caswell No. 849A|Chemviron TK 100|Cropasal|Drawipas|EINECS 205-725-8|EPA Pesticide Chemical Code 060101|Eprofil|Equizole|Helmindrax octelmin|Hokustar HP|Irgaguard F 3000|Lombristop|Marukacide M 101|Mertect|Mertect 160|Mertect 340F|Mertect LSP|Metasol TK 100|Metasol TK 25|Metasol TK 25AD|Metasol TK 50AD|Metasol TK-100|Mintesol|Mintezol|Mintezole|Minzolum|MK360|Mycozol|Nemapan|NSC 525040|NSC 90507|Omnizole|Ormogal|Pitrizet|Polival|RTU Flowable |1135441-27-8|123242-33-1|145316-67-2|1983131-69-6|8018-04-0|8027-10-9|8028-27-1|94977-06-7|98002-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021337 https://doi.org/10.22427/NTP-DATA-DTXSID0021337
ARPathway2016 ARPathway2016_871 Thiabendazole 148-79-8 DTXSID0021337 0.0 AR Pathway Model, Agonist Call Inactive Unitless N1C2=C(C=CC=C2)N=C1C1=CSC=N1 Thiabendazole 148-79-8|Thiabendazole|1H-Benzimidazole, 2-(4-thiazolyl)-|2-(1,3-Thiazol-4-yl)-1H-benzimidazole|2-(1,3-Thiazol-4-yl)benzimidazole|2-(4-Thiazolyl)-1H-benzimidazole|2-(4-Thiazolyl)-1H-benzoimidazole|2-(4-THIAZOLYL)BENZIMIDAZOLE|2-(4-Triazolyl)benzimidazole|2-(4'-Thiazolyl)benzimidazole|2-(4'-Thiazoyl)benzimidazole|2-(thiazol-4-yl)benzimidazole|2-Thiazole-4-ylbenzimidazole|4-(1H-Benzimidazol-2-yl)thiazole|4-(2-Benzimidazolyl)thiazole|5-(4-Thiazolyl)benzimidazole|Amolden HS|APL-luster|Benzimidazole, 2-(4-thiazolyl)-|BENZIMIDAZOLE[1H], 2-(4-THIAZOLYL)-|Biogard|Bioguard|Bovizole|BRN 0611403|Captan T|Caswell No. 849A|Chemviron TK 100|Cropasal|Drawipas|EINECS 205-725-8|EPA Pesticide Chemical Code 060101|Eprofil|Equizole|Helmindrax octelmin|Hokustar HP|Irgaguard F 3000|Lombristop|Marukacide M 101|Mertect|Mertect 160|Mertect 340F|Mertect LSP|Metasol TK 100|Metasol TK 25|Metasol TK 25AD|Metasol TK 50AD|Metasol TK-100|Mintesol|Mintezol|Mintezole|Minzolum|MK360|Mycozol|Nemapan|NSC 525040|NSC 90507|Omnizole|Ormogal|Pitrizet|Polival|RTU Flowable |1135441-27-8|123242-33-1|145316-67-2|1983131-69-6|8018-04-0|8027-10-9|8028-27-1|94977-06-7|98002-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021337 https://doi.org/10.22427/NTP-DATA-DTXSID0021337
ARPathway2016 ARPathway2016_871 Thiabendazole 148-79-8 DTXSID0021337 0.0 AR Pathway Model, Antagonist Call Inactive Unitless N1C2=C(C=CC=C2)N=C1C1=CSC=N1 Thiabendazole 148-79-8|Thiabendazole|1H-Benzimidazole, 2-(4-thiazolyl)-|2-(1,3-Thiazol-4-yl)-1H-benzimidazole|2-(1,3-Thiazol-4-yl)benzimidazole|2-(4-Thiazolyl)-1H-benzimidazole|2-(4-Thiazolyl)-1H-benzoimidazole|2-(4-THIAZOLYL)BENZIMIDAZOLE|2-(4-Triazolyl)benzimidazole|2-(4'-Thiazolyl)benzimidazole|2-(4'-Thiazoyl)benzimidazole|2-(thiazol-4-yl)benzimidazole|2-Thiazole-4-ylbenzimidazole|4-(1H-Benzimidazol-2-yl)thiazole|4-(2-Benzimidazolyl)thiazole|5-(4-Thiazolyl)benzimidazole|Amolden HS|APL-luster|Benzimidazole, 2-(4-thiazolyl)-|BENZIMIDAZOLE[1H], 2-(4-THIAZOLYL)-|Biogard|Bioguard|Bovizole|BRN 0611403|Captan T|Caswell No. 849A|Chemviron TK 100|Cropasal|Drawipas|EINECS 205-725-8|EPA Pesticide Chemical Code 060101|Eprofil|Equizole|Helmindrax octelmin|Hokustar HP|Irgaguard F 3000|Lombristop|Marukacide M 101|Mertect|Mertect 160|Mertect 340F|Mertect LSP|Metasol TK 100|Metasol TK 25|Metasol TK 25AD|Metasol TK 50AD|Metasol TK-100|Mintesol|Mintezol|Mintezole|Minzolum|MK360|Mycozol|Nemapan|NSC 525040|NSC 90507|Omnizole|Ormogal|Pitrizet|Polival|RTU Flowable |1135441-27-8|123242-33-1|145316-67-2|1983131-69-6|8018-04-0|8027-10-9|8028-27-1|94977-06-7|98002-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021337 https://doi.org/10.22427/NTP-DATA-DTXSID0021337
ERPathway2016 ERPathway2016_738 Thiabendazole 148-79-8 DTXSID0021337 A15 ER Pathway Model, Agonist Model Score 0 Unitless N1C2=C(C=CC=C2)N=C1C1=CSC=N1 Thiabendazole 148-79-8|Thiabendazole|1H-Benzimidazole, 2-(4-thiazolyl)-|2-(1,3-Thiazol-4-yl)-1H-benzimidazole|2-(1,3-Thiazol-4-yl)benzimidazole|2-(4-Thiazolyl)-1H-benzimidazole|2-(4-Thiazolyl)-1H-benzoimidazole|2-(4-THIAZOLYL)BENZIMIDAZOLE|2-(4-Triazolyl)benzimidazole|2-(4'-Thiazolyl)benzimidazole|2-(4'-Thiazoyl)benzimidazole|2-(thiazol-4-yl)benzimidazole|2-Thiazole-4-ylbenzimidazole|4-(1H-Benzimidazol-2-yl)thiazole|4-(2-Benzimidazolyl)thiazole|5-(4-Thiazolyl)benzimidazole|Amolden HS|APL-luster|Benzimidazole, 2-(4-thiazolyl)-|BENZIMIDAZOLE[1H], 2-(4-THIAZOLYL)-|Biogard|Bioguard|Bovizole|BRN 0611403|Captan T|Caswell No. 849A|Chemviron TK 100|Cropasal|Drawipas|EINECS 205-725-8|EPA Pesticide Chemical Code 060101|Eprofil|Equizole|Helmindrax octelmin|Hokustar HP|Irgaguard F 3000|Lombristop|Marukacide M 101|Mertect|Mertect 160|Mertect 340F|Mertect LSP|Metasol TK 100|Metasol TK 25|Metasol TK 25AD|Metasol TK 50AD|Metasol TK-100|Mintesol|Mintezol|Mintezole|Minzolum|MK360|Mycozol|Nemapan|NSC 525040|NSC 90507|Omnizole|Ormogal|Pitrizet|Polival|RTU Flowable |1135441-27-8|123242-33-1|145316-67-2|1983131-69-6|8018-04-0|8027-10-9|8028-27-1|94977-06-7|98002-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021337 https://doi.org/10.22427/NTP-DATA-DTXSID0021337
ERPathway2016 ERPathway2016_738 Thiabendazole 148-79-8 DTXSID0021337 A15 ER Pathway Model, Antagonist Model Score 0 Unitless N1C2=C(C=CC=C2)N=C1C1=CSC=N1 Thiabendazole 148-79-8|Thiabendazole|1H-Benzimidazole, 2-(4-thiazolyl)-|2-(1,3-Thiazol-4-yl)-1H-benzimidazole|2-(1,3-Thiazol-4-yl)benzimidazole|2-(4-Thiazolyl)-1H-benzimidazole|2-(4-Thiazolyl)-1H-benzoimidazole|2-(4-THIAZOLYL)BENZIMIDAZOLE|2-(4-Triazolyl)benzimidazole|2-(4'-Thiazolyl)benzimidazole|2-(4'-Thiazoyl)benzimidazole|2-(thiazol-4-yl)benzimidazole|2-Thiazole-4-ylbenzimidazole|4-(1H-Benzimidazol-2-yl)thiazole|4-(2-Benzimidazolyl)thiazole|5-(4-Thiazolyl)benzimidazole|Amolden HS|APL-luster|Benzimidazole, 2-(4-thiazolyl)-|BENZIMIDAZOLE[1H], 2-(4-THIAZOLYL)-|Biogard|Bioguard|Bovizole|BRN 0611403|Captan T|Caswell No. 849A|Chemviron TK 100|Cropasal|Drawipas|EINECS 205-725-8|EPA Pesticide Chemical Code 060101|Eprofil|Equizole|Helmindrax octelmin|Hokustar HP|Irgaguard F 3000|Lombristop|Marukacide M 101|Mertect|Mertect 160|Mertect 340F|Mertect LSP|Metasol TK 100|Metasol TK 25|Metasol TK 25AD|Metasol TK 50AD|Metasol TK-100|Mintesol|Mintezol|Mintezole|Minzolum|MK360|Mycozol|Nemapan|NSC 525040|NSC 90507|Omnizole|Ormogal|Pitrizet|Polival|RTU Flowable |1135441-27-8|123242-33-1|145316-67-2|1983131-69-6|8018-04-0|8027-10-9|8028-27-1|94977-06-7|98002-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021337 https://doi.org/10.22427/NTP-DATA-DTXSID0021337
ERPathway2016 ERPathway2016_738 Thiabendazole 148-79-8 DTXSID0021337 A15 ER Pathway Model, Agonist Call Inactive Unitless N1C2=C(C=CC=C2)N=C1C1=CSC=N1 Thiabendazole 148-79-8|Thiabendazole|1H-Benzimidazole, 2-(4-thiazolyl)-|2-(1,3-Thiazol-4-yl)-1H-benzimidazole|2-(1,3-Thiazol-4-yl)benzimidazole|2-(4-Thiazolyl)-1H-benzimidazole|2-(4-Thiazolyl)-1H-benzoimidazole|2-(4-THIAZOLYL)BENZIMIDAZOLE|2-(4-Triazolyl)benzimidazole|2-(4'-Thiazolyl)benzimidazole|2-(4'-Thiazoyl)benzimidazole|2-(thiazol-4-yl)benzimidazole|2-Thiazole-4-ylbenzimidazole|4-(1H-Benzimidazol-2-yl)thiazole|4-(2-Benzimidazolyl)thiazole|5-(4-Thiazolyl)benzimidazole|Amolden HS|APL-luster|Benzimidazole, 2-(4-thiazolyl)-|BENZIMIDAZOLE[1H], 2-(4-THIAZOLYL)-|Biogard|Bioguard|Bovizole|BRN 0611403|Captan T|Caswell No. 849A|Chemviron TK 100|Cropasal|Drawipas|EINECS 205-725-8|EPA Pesticide Chemical Code 060101|Eprofil|Equizole|Helmindrax octelmin|Hokustar HP|Irgaguard F 3000|Lombristop|Marukacide M 101|Mertect|Mertect 160|Mertect 340F|Mertect LSP|Metasol TK 100|Metasol TK 25|Metasol TK 25AD|Metasol TK 50AD|Metasol TK-100|Mintesol|Mintezol|Mintezole|Minzolum|MK360|Mycozol|Nemapan|NSC 525040|NSC 90507|Omnizole|Ormogal|Pitrizet|Polival|RTU Flowable |1135441-27-8|123242-33-1|145316-67-2|1983131-69-6|8018-04-0|8027-10-9|8028-27-1|94977-06-7|98002-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021337 https://doi.org/10.22427/NTP-DATA-DTXSID0021337
ERPathway2016 ERPathway2016_738 Thiabendazole 148-79-8 DTXSID0021337 A15 ER Pathway Model, Antagonist Call Inactive Unitless N1C2=C(C=CC=C2)N=C1C1=CSC=N1 Thiabendazole 148-79-8|Thiabendazole|1H-Benzimidazole, 2-(4-thiazolyl)-|2-(1,3-Thiazol-4-yl)-1H-benzimidazole|2-(1,3-Thiazol-4-yl)benzimidazole|2-(4-Thiazolyl)-1H-benzimidazole|2-(4-Thiazolyl)-1H-benzoimidazole|2-(4-THIAZOLYL)BENZIMIDAZOLE|2-(4-Triazolyl)benzimidazole|2-(4'-Thiazolyl)benzimidazole|2-(4'-Thiazoyl)benzimidazole|2-(thiazol-4-yl)benzimidazole|2-Thiazole-4-ylbenzimidazole|4-(1H-Benzimidazol-2-yl)thiazole|4-(2-Benzimidazolyl)thiazole|5-(4-Thiazolyl)benzimidazole|Amolden HS|APL-luster|Benzimidazole, 2-(4-thiazolyl)-|BENZIMIDAZOLE[1H], 2-(4-THIAZOLYL)-|Biogard|Bioguard|Bovizole|BRN 0611403|Captan T|Caswell No. 849A|Chemviron TK 100|Cropasal|Drawipas|EINECS 205-725-8|EPA Pesticide Chemical Code 060101|Eprofil|Equizole|Helmindrax octelmin|Hokustar HP|Irgaguard F 3000|Lombristop|Marukacide M 101|Mertect|Mertect 160|Mertect 340F|Mertect LSP|Metasol TK 100|Metasol TK 25|Metasol TK 25AD|Metasol TK 50AD|Metasol TK-100|Mintesol|Mintezol|Mintezole|Minzolum|MK360|Mycozol|Nemapan|NSC 525040|NSC 90507|Omnizole|Ormogal|Pitrizet|Polival|RTU Flowable |1135441-27-8|123242-33-1|145316-67-2|1983131-69-6|8018-04-0|8027-10-9|8028-27-1|94977-06-7|98002-42-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021337 https://doi.org/10.22427/NTP-DATA-DTXSID0021337
ARPathway2016 ARPathway2016_587 Thiacloprid 111988-49-9 DTXSID7034961 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=C(CN2CCSC2=N/C#N)C=N1 Thiacloprid 111988-49-9|Thiacloprid|(3-((6-Chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide|(Z)-[3-[(6-Chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]cyanamide|(Z)-thiacloprid|Calypso|Calypso 70WG|UNII-DSV3A944A4|YRC 2894|YRC 2894 (Thiacloprid)|443096-59-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034961
ARPathway2016 ARPathway2016_587 Thiacloprid 111988-49-9 DTXSID7034961 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=C(CN2CCSC2=N/C#N)C=N1 Thiacloprid 111988-49-9|Thiacloprid|(3-((6-Chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide|(Z)-[3-[(6-Chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]cyanamide|(Z)-thiacloprid|Calypso|Calypso 70WG|UNII-DSV3A944A4|YRC 2894|YRC 2894 (Thiacloprid)|443096-59-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034961
ARPathway2016 ARPathway2016_587 Thiacloprid 111988-49-9 DTXSID7034961 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClC1=CC=C(CN2CCSC2=N/C#N)C=N1 Thiacloprid 111988-49-9|Thiacloprid|(3-((6-Chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide|(Z)-[3-[(6-Chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]cyanamide|(Z)-thiacloprid|Calypso|Calypso 70WG|UNII-DSV3A944A4|YRC 2894|YRC 2894 (Thiacloprid)|443096-59-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034961
ARPathway2016 ARPathway2016_587 Thiacloprid 111988-49-9 DTXSID7034961 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=C(CN2CCSC2=N/C#N)C=N1 Thiacloprid 111988-49-9|Thiacloprid|(3-((6-Chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide|(Z)-[3-[(6-Chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]cyanamide|(Z)-thiacloprid|Calypso|Calypso 70WG|UNII-DSV3A944A4|YRC 2894|YRC 2894 (Thiacloprid)|443096-59-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034961
ERPathway2016 ERPathway2016_1164 Thiacloprid 111988-49-9 DTXSID7034961 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=C(CN2CCSC2=N/C#N)C=N1 Thiacloprid 111988-49-9|Thiacloprid|(3-((6-Chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide|(Z)-[3-[(6-Chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]cyanamide|(Z)-thiacloprid|Calypso|Calypso 70WG|UNII-DSV3A944A4|YRC 2894|YRC 2894 (Thiacloprid)|443096-59-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034961
ERPathway2016 ERPathway2016_1164 Thiacloprid 111988-49-9 DTXSID7034961 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=C(CN2CCSC2=N/C#N)C=N1 Thiacloprid 111988-49-9|Thiacloprid|(3-((6-Chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide|(Z)-[3-[(6-Chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]cyanamide|(Z)-thiacloprid|Calypso|Calypso 70WG|UNII-DSV3A944A4|YRC 2894|YRC 2894 (Thiacloprid)|443096-59-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034961
ERPathway2016 ERPathway2016_1164 Thiacloprid 111988-49-9 DTXSID7034961 ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC=C(CN2CCSC2=N/C#N)C=N1 Thiacloprid 111988-49-9|Thiacloprid|(3-((6-Chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide|(Z)-[3-[(6-Chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]cyanamide|(Z)-thiacloprid|Calypso|Calypso 70WG|UNII-DSV3A944A4|YRC 2894|YRC 2894 (Thiacloprid)|443096-59-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034961
ERPathway2016 ERPathway2016_1164 Thiacloprid 111988-49-9 DTXSID7034961 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=C(CN2CCSC2=N/C#N)C=N1 Thiacloprid 111988-49-9|Thiacloprid|(3-((6-Chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide|(Z)-[3-[(6-Chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]cyanamide|(Z)-thiacloprid|Calypso|Calypso 70WG|UNII-DSV3A944A4|YRC 2894|YRC 2894 (Thiacloprid)|443096-59-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7034961
ARPathway2016 ARPathway2016_890 Thiamethoxam 153719-23-4 DTXSID2034962 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN1COCN(CC2=CN=C(Cl)S2)C1=N[N+]([O-])=O Thiamethoxam 153719-23-4|Thiamethoxam|-(2-Chloro-thiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylidene-N-nitroamine|(EZ)-3-(2-chloro-1,3-thiazol-5-ylmethyl)-5-methyl-1,3,5-oxadiazinan-4-ylidene(nitro)amine|3-((2-Chloro-5-thiazolyl)methyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine|3-(2-Chloro-5-thiazolylmethyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine|4H-1,3,5-Oxadiazin-4-imine, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-N-nitro-|4H-1,3,5-Oxadiazin-4-one, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-, hydrazonedioxide|A9765N|Actara 25WG|Centric|CGA 293343|CGA-293343|CGA293343|Cruiser|Cruiser 5FS|Diacloden|ELINCS No.: 428-650-4|Flagship|Meridian|Thiametoxam|UNII-747IC8B487 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034962
ARPathway2016 ARPathway2016_890 Thiamethoxam 153719-23-4 DTXSID2034962 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN1COCN(CC2=CN=C(Cl)S2)C1=N[N+]([O-])=O Thiamethoxam 153719-23-4|Thiamethoxam|-(2-Chloro-thiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylidene-N-nitroamine|(EZ)-3-(2-chloro-1,3-thiazol-5-ylmethyl)-5-methyl-1,3,5-oxadiazinan-4-ylidene(nitro)amine|3-((2-Chloro-5-thiazolyl)methyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine|3-(2-Chloro-5-thiazolylmethyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine|4H-1,3,5-Oxadiazin-4-imine, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-N-nitro-|4H-1,3,5-Oxadiazin-4-one, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-, hydrazonedioxide|A9765N|Actara 25WG|Centric|CGA 293343|CGA-293343|CGA293343|Cruiser|Cruiser 5FS|Diacloden|ELINCS No.: 428-650-4|Flagship|Meridian|Thiametoxam|UNII-747IC8B487 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034962
ARPathway2016 ARPathway2016_890 Thiamethoxam 153719-23-4 DTXSID2034962 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN1COCN(CC2=CN=C(Cl)S2)C1=N[N+]([O-])=O Thiamethoxam 153719-23-4|Thiamethoxam|-(2-Chloro-thiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylidene-N-nitroamine|(EZ)-3-(2-chloro-1,3-thiazol-5-ylmethyl)-5-methyl-1,3,5-oxadiazinan-4-ylidene(nitro)amine|3-((2-Chloro-5-thiazolyl)methyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine|3-(2-Chloro-5-thiazolylmethyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine|4H-1,3,5-Oxadiazin-4-imine, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-N-nitro-|4H-1,3,5-Oxadiazin-4-one, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-, hydrazonedioxide|A9765N|Actara 25WG|Centric|CGA 293343|CGA-293343|CGA293343|Cruiser|Cruiser 5FS|Diacloden|ELINCS No.: 428-650-4|Flagship|Meridian|Thiametoxam|UNII-747IC8B487 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034962
ARPathway2016 ARPathway2016_890 Thiamethoxam 153719-23-4 DTXSID2034962 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN1COCN(CC2=CN=C(Cl)S2)C1=N[N+]([O-])=O Thiamethoxam 153719-23-4|Thiamethoxam|-(2-Chloro-thiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylidene-N-nitroamine|(EZ)-3-(2-chloro-1,3-thiazol-5-ylmethyl)-5-methyl-1,3,5-oxadiazinan-4-ylidene(nitro)amine|3-((2-Chloro-5-thiazolyl)methyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine|3-(2-Chloro-5-thiazolylmethyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine|4H-1,3,5-Oxadiazin-4-imine, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-N-nitro-|4H-1,3,5-Oxadiazin-4-one, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-, hydrazonedioxide|A9765N|Actara 25WG|Centric|CGA 293343|CGA-293343|CGA293343|Cruiser|Cruiser 5FS|Diacloden|ELINCS No.: 428-650-4|Flagship|Meridian|Thiametoxam|UNII-747IC8B487 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034962
ERPathway2016 ERPathway2016_1324 Thiamethoxam 153719-23-4 DTXSID2034962 ER Pathway Model, Agonist Model Score 0 Unitless CN1COCN(CC2=CN=C(Cl)S2)C1=N[N+]([O-])=O Thiamethoxam 153719-23-4|Thiamethoxam|-(2-Chloro-thiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylidene-N-nitroamine|(EZ)-3-(2-chloro-1,3-thiazol-5-ylmethyl)-5-methyl-1,3,5-oxadiazinan-4-ylidene(nitro)amine|3-((2-Chloro-5-thiazolyl)methyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine|3-(2-Chloro-5-thiazolylmethyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine|4H-1,3,5-Oxadiazin-4-imine, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-N-nitro-|4H-1,3,5-Oxadiazin-4-one, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-, hydrazonedioxide|A9765N|Actara 25WG|Centric|CGA 293343|CGA-293343|CGA293343|Cruiser|Cruiser 5FS|Diacloden|ELINCS No.: 428-650-4|Flagship|Meridian|Thiametoxam|UNII-747IC8B487 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034962
ERPathway2016 ERPathway2016_1324 Thiamethoxam 153719-23-4 DTXSID2034962 ER Pathway Model, Antagonist Model Score 0 Unitless CN1COCN(CC2=CN=C(Cl)S2)C1=N[N+]([O-])=O Thiamethoxam 153719-23-4|Thiamethoxam|-(2-Chloro-thiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylidene-N-nitroamine|(EZ)-3-(2-chloro-1,3-thiazol-5-ylmethyl)-5-methyl-1,3,5-oxadiazinan-4-ylidene(nitro)amine|3-((2-Chloro-5-thiazolyl)methyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine|3-(2-Chloro-5-thiazolylmethyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine|4H-1,3,5-Oxadiazin-4-imine, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-N-nitro-|4H-1,3,5-Oxadiazin-4-one, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-, hydrazonedioxide|A9765N|Actara 25WG|Centric|CGA 293343|CGA-293343|CGA293343|Cruiser|Cruiser 5FS|Diacloden|ELINCS No.: 428-650-4|Flagship|Meridian|Thiametoxam|UNII-747IC8B487 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034962
ERPathway2016 ERPathway2016_1324 Thiamethoxam 153719-23-4 DTXSID2034962 ER Pathway Model, Agonist Call Inactive Unitless CN1COCN(CC2=CN=C(Cl)S2)C1=N[N+]([O-])=O Thiamethoxam 153719-23-4|Thiamethoxam|-(2-Chloro-thiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylidene-N-nitroamine|(EZ)-3-(2-chloro-1,3-thiazol-5-ylmethyl)-5-methyl-1,3,5-oxadiazinan-4-ylidene(nitro)amine|3-((2-Chloro-5-thiazolyl)methyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine|3-(2-Chloro-5-thiazolylmethyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine|4H-1,3,5-Oxadiazin-4-imine, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-N-nitro-|4H-1,3,5-Oxadiazin-4-one, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-, hydrazonedioxide|A9765N|Actara 25WG|Centric|CGA 293343|CGA-293343|CGA293343|Cruiser|Cruiser 5FS|Diacloden|ELINCS No.: 428-650-4|Flagship|Meridian|Thiametoxam|UNII-747IC8B487 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034962
ERPathway2016 ERPathway2016_1324 Thiamethoxam 153719-23-4 DTXSID2034962 ER Pathway Model, Antagonist Call Inactive Unitless CN1COCN(CC2=CN=C(Cl)S2)C1=N[N+]([O-])=O Thiamethoxam 153719-23-4|Thiamethoxam|-(2-Chloro-thiazol-5-ylmethyl)-5-methyl-[1,3,5]oxadiazinan-4-ylidene-N-nitroamine|(EZ)-3-(2-chloro-1,3-thiazol-5-ylmethyl)-5-methyl-1,3,5-oxadiazinan-4-ylidene(nitro)amine|3-((2-Chloro-5-thiazolyl)methyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine|3-(2-Chloro-5-thiazolylmethyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine|4H-1,3,5-Oxadiazin-4-imine, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-N-nitro-|4H-1,3,5-Oxadiazin-4-one, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-, hydrazonedioxide|A9765N|Actara 25WG|Centric|CGA 293343|CGA-293343|CGA293343|Cruiser|Cruiser 5FS|Diacloden|ELINCS No.: 428-650-4|Flagship|Meridian|Thiametoxam|UNII-747IC8B487 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2034962
ARPathway2016 ARPathway2016_639 Thiazopyr 117718-60-2 DTXSID1032488 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=C(CC(C)C)C(C2=NCCS2)=C(N=C1C(F)F)C(F)(F)F Thiazopyr 117718-60-2|Thiazopyr|3-Pyridinecarboxylic acid, 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, methyl ester|Mandate|Methyl 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate|MON 13200|MON 13211|RH-135,680|Thiazophyr|UNII-AEQ9R142XI|128606-56-4|147172-37-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032488
ARPathway2016 ARPathway2016_639 Thiazopyr 117718-60-2 DTXSID1032488 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=C(CC(C)C)C(C2=NCCS2)=C(N=C1C(F)F)C(F)(F)F Thiazopyr 117718-60-2|Thiazopyr|3-Pyridinecarboxylic acid, 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, methyl ester|Mandate|Methyl 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate|MON 13200|MON 13211|RH-135,680|Thiazophyr|UNII-AEQ9R142XI|128606-56-4|147172-37-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032488
ARPathway2016 ARPathway2016_639 Thiazopyr 117718-60-2 DTXSID1032488 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=C(CC(C)C)C(C2=NCCS2)=C(N=C1C(F)F)C(F)(F)F Thiazopyr 117718-60-2|Thiazopyr|3-Pyridinecarboxylic acid, 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, methyl ester|Mandate|Methyl 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate|MON 13200|MON 13211|RH-135,680|Thiazophyr|UNII-AEQ9R142XI|128606-56-4|147172-37-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032488
ARPathway2016 ARPathway2016_639 Thiazopyr 117718-60-2 DTXSID1032488 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=C(CC(C)C)C(C2=NCCS2)=C(N=C1C(F)F)C(F)(F)F Thiazopyr 117718-60-2|Thiazopyr|3-Pyridinecarboxylic acid, 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, methyl ester|Mandate|Methyl 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate|MON 13200|MON 13211|RH-135,680|Thiazophyr|UNII-AEQ9R142XI|128606-56-4|147172-37-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032488
ERPathway2016 ERPathway2016_405 Thiazopyr 117718-60-2 DTXSID1032488 ER Pathway Model, Antagonist AC50 18.4076072967722 uM COC(=O)C1=C(CC(C)C)C(C2=NCCS2)=C(N=C1C(F)F)C(F)(F)F Thiazopyr 117718-60-2|Thiazopyr|3-Pyridinecarboxylic acid, 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, methyl ester|Mandate|Methyl 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate|MON 13200|MON 13211|RH-135,680|Thiazophyr|UNII-AEQ9R142XI|128606-56-4|147172-37-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032488
ERPathway2016 ERPathway2016_405 Thiazopyr 117718-60-2 DTXSID1032488 ER Pathway Model, Antagonist ACC 22.4591401024405 uM COC(=O)C1=C(CC(C)C)C(C2=NCCS2)=C(N=C1C(F)F)C(F)(F)F Thiazopyr 117718-60-2|Thiazopyr|3-Pyridinecarboxylic acid, 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, methyl ester|Mandate|Methyl 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate|MON 13200|MON 13211|RH-135,680|Thiazophyr|UNII-AEQ9R142XI|128606-56-4|147172-37-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032488
ERPathway2016 ERPathway2016_405 Thiazopyr 117718-60-2 DTXSID1032488 ER Pathway Model, Agonist Model Score 0.00886 Unitless COC(=O)C1=C(CC(C)C)C(C2=NCCS2)=C(N=C1C(F)F)C(F)(F)F Thiazopyr 117718-60-2|Thiazopyr|3-Pyridinecarboxylic acid, 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, methyl ester|Mandate|Methyl 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate|MON 13200|MON 13211|RH-135,680|Thiazophyr|UNII-AEQ9R142XI|128606-56-4|147172-37-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032488
ERPathway2016 ERPathway2016_405 Thiazopyr 117718-60-2 DTXSID1032488 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=C(CC(C)C)C(C2=NCCS2)=C(N=C1C(F)F)C(F)(F)F Thiazopyr 117718-60-2|Thiazopyr|3-Pyridinecarboxylic acid, 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, methyl ester|Mandate|Methyl 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate|MON 13200|MON 13211|RH-135,680|Thiazophyr|UNII-AEQ9R142XI|128606-56-4|147172-37-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032488
ERPathway2016 ERPathway2016_405 Thiazopyr 117718-60-2 DTXSID1032488 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=C(CC(C)C)C(C2=NCCS2)=C(N=C1C(F)F)C(F)(F)F Thiazopyr 117718-60-2|Thiazopyr|3-Pyridinecarboxylic acid, 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, methyl ester|Mandate|Methyl 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate|MON 13200|MON 13211|RH-135,680|Thiazophyr|UNII-AEQ9R142XI|128606-56-4|147172-37-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032488
ERPathway2016 ERPathway2016_405 Thiazopyr 117718-60-2 DTXSID1032488 ER Pathway Model, Antagonist Call Active Unitless COC(=O)C1=C(CC(C)C)C(C2=NCCS2)=C(N=C1C(F)F)C(F)(F)F Thiazopyr 117718-60-2|Thiazopyr|3-Pyridinecarboxylic acid, 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-, methyl ester|Mandate|Methyl 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate|MON 13200|MON 13211|RH-135,680|Thiazophyr|UNII-AEQ9R142XI|128606-56-4|147172-37-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1032488
ARPathway2016 ARPathway2016_1267 Thidiazuron 51707-55-2 DTXSID0032651 FLAG: Wrong direction shift (Hit/Hit) -1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless O=C(NC1=CN=NS1)NC1=CC=CC=C1 Thidiazuron 51707-55-2|Thidiazuron|(N-1,2,3-Thiadiazolyl-5)-N'-phenylurea|1-fenil-3-(1,2,3-tiadiazol-5-il)urea|1-Phenyl-3-(1,2,3-thiadiazol-5-yl)harnstoff|1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea|1-phenyl-3-(1,2,3-thiadiazole-5-yl)uree|BRN 1078092|Caswell No. 659A|Defolit|Dropp SC|EINECS 257-356-7|EPA Pesticide Chemical Code 120301|N-Phenyl-N'-1,2,3-thiadiazol-5-yl-urea|N-Phenyl-N'-1,2,3-thiadiazol-5-ylurea|N-Phenyl-N'-1,2,3-thiazol-5-ylurea|UNII-0091WH7STF|Urea, N-phenyl-N'-1,2,3-thiadiazol-5-yl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032651
ARPathway2016 ARPathway2016_1267 Thidiazuron 51707-55-2 DTXSID0032651 FLAG: Wrong direction shift (Hit/Hit) -1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless O=C(NC1=CN=NS1)NC1=CC=CC=C1 Thidiazuron 51707-55-2|Thidiazuron|(N-1,2,3-Thiadiazolyl-5)-N'-phenylurea|1-fenil-3-(1,2,3-tiadiazol-5-il)urea|1-Phenyl-3-(1,2,3-thiadiazol-5-yl)harnstoff|1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea|1-phenyl-3-(1,2,3-thiadiazole-5-yl)uree|BRN 1078092|Caswell No. 659A|Defolit|Dropp SC|EINECS 257-356-7|EPA Pesticide Chemical Code 120301|N-Phenyl-N'-1,2,3-thiadiazol-5-yl-urea|N-Phenyl-N'-1,2,3-thiadiazol-5-ylurea|N-Phenyl-N'-1,2,3-thiazol-5-ylurea|UNII-0091WH7STF|Urea, N-phenyl-N'-1,2,3-thiadiazol-5-yl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032651
ARPathway2016 ARPathway2016_1267 Thidiazuron 51707-55-2 DTXSID0032651 FLAG: Wrong direction shift (Hit/Hit) -1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless O=C(NC1=CN=NS1)NC1=CC=CC=C1 Thidiazuron 51707-55-2|Thidiazuron|(N-1,2,3-Thiadiazolyl-5)-N'-phenylurea|1-fenil-3-(1,2,3-tiadiazol-5-il)urea|1-Phenyl-3-(1,2,3-thiadiazol-5-yl)harnstoff|1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea|1-phenyl-3-(1,2,3-thiadiazole-5-yl)uree|BRN 1078092|Caswell No. 659A|Defolit|Dropp SC|EINECS 257-356-7|EPA Pesticide Chemical Code 120301|N-Phenyl-N'-1,2,3-thiadiazol-5-yl-urea|N-Phenyl-N'-1,2,3-thiadiazol-5-ylurea|N-Phenyl-N'-1,2,3-thiazol-5-ylurea|UNII-0091WH7STF|Urea, N-phenyl-N'-1,2,3-thiadiazol-5-yl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032651
ARPathway2016 ARPathway2016_1267 Thidiazuron 51707-55-2 DTXSID0032651 FLAG: Wrong direction shift (Hit/Hit) -1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless O=C(NC1=CN=NS1)NC1=CC=CC=C1 Thidiazuron 51707-55-2|Thidiazuron|(N-1,2,3-Thiadiazolyl-5)-N'-phenylurea|1-fenil-3-(1,2,3-tiadiazol-5-il)urea|1-Phenyl-3-(1,2,3-thiadiazol-5-yl)harnstoff|1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea|1-phenyl-3-(1,2,3-thiadiazole-5-yl)uree|BRN 1078092|Caswell No. 659A|Defolit|Dropp SC|EINECS 257-356-7|EPA Pesticide Chemical Code 120301|N-Phenyl-N'-1,2,3-thiadiazol-5-yl-urea|N-Phenyl-N'-1,2,3-thiadiazol-5-ylurea|N-Phenyl-N'-1,2,3-thiazol-5-ylurea|UNII-0091WH7STF|Urea, N-phenyl-N'-1,2,3-thiadiazol-5-yl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032651
ERPathway2016 ERPathway2016_596 Thidiazuron 51707-55-2 DTXSID0032651 ER Pathway Model, Agonist Model Score 0 Unitless O=C(NC1=CN=NS1)NC1=CC=CC=C1 Thidiazuron 51707-55-2|Thidiazuron|(N-1,2,3-Thiadiazolyl-5)-N'-phenylurea|1-fenil-3-(1,2,3-tiadiazol-5-il)urea|1-Phenyl-3-(1,2,3-thiadiazol-5-yl)harnstoff|1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea|1-phenyl-3-(1,2,3-thiadiazole-5-yl)uree|BRN 1078092|Caswell No. 659A|Defolit|Dropp SC|EINECS 257-356-7|EPA Pesticide Chemical Code 120301|N-Phenyl-N'-1,2,3-thiadiazol-5-yl-urea|N-Phenyl-N'-1,2,3-thiadiazol-5-ylurea|N-Phenyl-N'-1,2,3-thiazol-5-ylurea|UNII-0091WH7STF|Urea, N-phenyl-N'-1,2,3-thiadiazol-5-yl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032651
ERPathway2016 ERPathway2016_596 Thidiazuron 51707-55-2 DTXSID0032651 ER Pathway Model, Antagonist Model Score 0 Unitless O=C(NC1=CN=NS1)NC1=CC=CC=C1 Thidiazuron 51707-55-2|Thidiazuron|(N-1,2,3-Thiadiazolyl-5)-N'-phenylurea|1-fenil-3-(1,2,3-tiadiazol-5-il)urea|1-Phenyl-3-(1,2,3-thiadiazol-5-yl)harnstoff|1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea|1-phenyl-3-(1,2,3-thiadiazole-5-yl)uree|BRN 1078092|Caswell No. 659A|Defolit|Dropp SC|EINECS 257-356-7|EPA Pesticide Chemical Code 120301|N-Phenyl-N'-1,2,3-thiadiazol-5-yl-urea|N-Phenyl-N'-1,2,3-thiadiazol-5-ylurea|N-Phenyl-N'-1,2,3-thiazol-5-ylurea|UNII-0091WH7STF|Urea, N-phenyl-N'-1,2,3-thiadiazol-5-yl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032651
ERPathway2016 ERPathway2016_596 Thidiazuron 51707-55-2 DTXSID0032651 ER Pathway Model, Agonist Call Inactive Unitless O=C(NC1=CN=NS1)NC1=CC=CC=C1 Thidiazuron 51707-55-2|Thidiazuron|(N-1,2,3-Thiadiazolyl-5)-N'-phenylurea|1-fenil-3-(1,2,3-tiadiazol-5-il)urea|1-Phenyl-3-(1,2,3-thiadiazol-5-yl)harnstoff|1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea|1-phenyl-3-(1,2,3-thiadiazole-5-yl)uree|BRN 1078092|Caswell No. 659A|Defolit|Dropp SC|EINECS 257-356-7|EPA Pesticide Chemical Code 120301|N-Phenyl-N'-1,2,3-thiadiazol-5-yl-urea|N-Phenyl-N'-1,2,3-thiadiazol-5-ylurea|N-Phenyl-N'-1,2,3-thiazol-5-ylurea|UNII-0091WH7STF|Urea, N-phenyl-N'-1,2,3-thiadiazol-5-yl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032651
ERPathway2016 ERPathway2016_596 Thidiazuron 51707-55-2 DTXSID0032651 ER Pathway Model, Antagonist Call Inactive Unitless O=C(NC1=CN=NS1)NC1=CC=CC=C1 Thidiazuron 51707-55-2|Thidiazuron|(N-1,2,3-Thiadiazolyl-5)-N'-phenylurea|1-fenil-3-(1,2,3-tiadiazol-5-il)urea|1-Phenyl-3-(1,2,3-thiadiazol-5-yl)harnstoff|1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea|1-phenyl-3-(1,2,3-thiadiazole-5-yl)uree|BRN 1078092|Caswell No. 659A|Defolit|Dropp SC|EINECS 257-356-7|EPA Pesticide Chemical Code 120301|N-Phenyl-N'-1,2,3-thiadiazol-5-yl-urea|N-Phenyl-N'-1,2,3-thiadiazol-5-ylurea|N-Phenyl-N'-1,2,3-thiazol-5-ylurea|UNII-0091WH7STF|Urea, N-phenyl-N'-1,2,3-thiadiazol-5-yl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032651
ARPathway2016 ARPathway2016_1586 Thifensulfuron methyl 79277-27-3 DTXSID1024124 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=C(C=CS1)S(=O)(=O)NC(=O)NC1=NC(C)=NC(OC)=N1 Thifensulfuron methyl 79277-27-3|Thifensulfuron methyl|2- Thiophenecarboxylic acid, 3- [[[[(4- methoxy- 6- methyl- 1, 3, 5- triazin- 2- yl) amino] carbonyl] amino] sulfonyl] - , methyl ester|Caswell No. 573S|DPX-M 6316|EC No.: 616-673-4|EPA Pesticide Chemical Code 128845|Harmony|Harmony 75DF|Harmony GT|Harmony GT-XP|Methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)-2-thenoate|methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylate|Methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-2-thiophenecarboxylate|Pinnacle|Pinnacle 25DF|Refine|Refine DF|Thiameturon-methyl|Thifensulfuron methyl ester|Thifensulfuron-methyl|UNII-5VFH25ES6F https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024124
ARPathway2016 ARPathway2016_1586 Thifensulfuron methyl 79277-27-3 DTXSID1024124 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=C(C=CS1)S(=O)(=O)NC(=O)NC1=NC(C)=NC(OC)=N1 Thifensulfuron methyl 79277-27-3|Thifensulfuron methyl|2- Thiophenecarboxylic acid, 3- [[[[(4- methoxy- 6- methyl- 1, 3, 5- triazin- 2- yl) amino] carbonyl] amino] sulfonyl] - , methyl ester|Caswell No. 573S|DPX-M 6316|EC No.: 616-673-4|EPA Pesticide Chemical Code 128845|Harmony|Harmony 75DF|Harmony GT|Harmony GT-XP|Methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)-2-thenoate|methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylate|Methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-2-thiophenecarboxylate|Pinnacle|Pinnacle 25DF|Refine|Refine DF|Thiameturon-methyl|Thifensulfuron methyl ester|Thifensulfuron-methyl|UNII-5VFH25ES6F https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024124
ARPathway2016 ARPathway2016_1586 Thifensulfuron methyl 79277-27-3 DTXSID1024124 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=C(C=CS1)S(=O)(=O)NC(=O)NC1=NC(C)=NC(OC)=N1 Thifensulfuron methyl 79277-27-3|Thifensulfuron methyl|2- Thiophenecarboxylic acid, 3- [[[[(4- methoxy- 6- methyl- 1, 3, 5- triazin- 2- yl) amino] carbonyl] amino] sulfonyl] - , methyl ester|Caswell No. 573S|DPX-M 6316|EC No.: 616-673-4|EPA Pesticide Chemical Code 128845|Harmony|Harmony 75DF|Harmony GT|Harmony GT-XP|Methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)-2-thenoate|methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylate|Methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-2-thiophenecarboxylate|Pinnacle|Pinnacle 25DF|Refine|Refine DF|Thiameturon-methyl|Thifensulfuron methyl ester|Thifensulfuron-methyl|UNII-5VFH25ES6F https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024124
ARPathway2016 ARPathway2016_1586 Thifensulfuron methyl 79277-27-3 DTXSID1024124 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=C(C=CS1)S(=O)(=O)NC(=O)NC1=NC(C)=NC(OC)=N1 Thifensulfuron methyl 79277-27-3|Thifensulfuron methyl|2- Thiophenecarboxylic acid, 3- [[[[(4- methoxy- 6- methyl- 1, 3, 5- triazin- 2- yl) amino] carbonyl] amino] sulfonyl] - , methyl ester|Caswell No. 573S|DPX-M 6316|EC No.: 616-673-4|EPA Pesticide Chemical Code 128845|Harmony|Harmony 75DF|Harmony GT|Harmony GT-XP|Methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)-2-thenoate|methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylate|Methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-2-thiophenecarboxylate|Pinnacle|Pinnacle 25DF|Refine|Refine DF|Thiameturon-methyl|Thifensulfuron methyl ester|Thifensulfuron-methyl|UNII-5VFH25ES6F https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024124
ERPathway2016 ERPathway2016_942 Thifensulfuron methyl 79277-27-3 DTXSID1024124 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)C1=C(C=CS1)S(=O)(=O)NC(=O)NC1=NC(C)=NC(OC)=N1 Thifensulfuron methyl 79277-27-3|Thifensulfuron methyl|2- Thiophenecarboxylic acid, 3- [[[[(4- methoxy- 6- methyl- 1, 3, 5- triazin- 2- yl) amino] carbonyl] amino] sulfonyl] - , methyl ester|Caswell No. 573S|DPX-M 6316|EC No.: 616-673-4|EPA Pesticide Chemical Code 128845|Harmony|Harmony 75DF|Harmony GT|Harmony GT-XP|Methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)-2-thenoate|methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylate|Methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-2-thiophenecarboxylate|Pinnacle|Pinnacle 25DF|Refine|Refine DF|Thiameturon-methyl|Thifensulfuron methyl ester|Thifensulfuron-methyl|UNII-5VFH25ES6F https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024124
ERPathway2016 ERPathway2016_942 Thifensulfuron methyl 79277-27-3 DTXSID1024124 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)C1=C(C=CS1)S(=O)(=O)NC(=O)NC1=NC(C)=NC(OC)=N1 Thifensulfuron methyl 79277-27-3|Thifensulfuron methyl|2- Thiophenecarboxylic acid, 3- [[[[(4- methoxy- 6- methyl- 1, 3, 5- triazin- 2- yl) amino] carbonyl] amino] sulfonyl] - , methyl ester|Caswell No. 573S|DPX-M 6316|EC No.: 616-673-4|EPA Pesticide Chemical Code 128845|Harmony|Harmony 75DF|Harmony GT|Harmony GT-XP|Methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)-2-thenoate|methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylate|Methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-2-thiophenecarboxylate|Pinnacle|Pinnacle 25DF|Refine|Refine DF|Thiameturon-methyl|Thifensulfuron methyl ester|Thifensulfuron-methyl|UNII-5VFH25ES6F https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024124
ERPathway2016 ERPathway2016_942 Thifensulfuron methyl 79277-27-3 DTXSID1024124 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)C1=C(C=CS1)S(=O)(=O)NC(=O)NC1=NC(C)=NC(OC)=N1 Thifensulfuron methyl 79277-27-3|Thifensulfuron methyl|2- Thiophenecarboxylic acid, 3- [[[[(4- methoxy- 6- methyl- 1, 3, 5- triazin- 2- yl) amino] carbonyl] amino] sulfonyl] - , methyl ester|Caswell No. 573S|DPX-M 6316|EC No.: 616-673-4|EPA Pesticide Chemical Code 128845|Harmony|Harmony 75DF|Harmony GT|Harmony GT-XP|Methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)-2-thenoate|methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylate|Methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-2-thiophenecarboxylate|Pinnacle|Pinnacle 25DF|Refine|Refine DF|Thiameturon-methyl|Thifensulfuron methyl ester|Thifensulfuron-methyl|UNII-5VFH25ES6F https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024124
ERPathway2016 ERPathway2016_942 Thifensulfuron methyl 79277-27-3 DTXSID1024124 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)C1=C(C=CS1)S(=O)(=O)NC(=O)NC1=NC(C)=NC(OC)=N1 Thifensulfuron methyl 79277-27-3|Thifensulfuron methyl|2- Thiophenecarboxylic acid, 3- [[[[(4- methoxy- 6- methyl- 1, 3, 5- triazin- 2- yl) amino] carbonyl] amino] sulfonyl] - , methyl ester|Caswell No. 573S|DPX-M 6316|EC No.: 616-673-4|EPA Pesticide Chemical Code 128845|Harmony|Harmony 75DF|Harmony GT|Harmony GT-XP|Methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)-2-thenoate|methyl 3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylate|Methyl 3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-2-thiophenecarboxylate|Pinnacle|Pinnacle 25DF|Refine|Refine DF|Thiameturon-methyl|Thifensulfuron methyl ester|Thifensulfuron-methyl|UNII-5VFH25ES6F https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024124
ARPathway2016 ARPathway2016_1099 Thiobencarb 28249-77-6 DTXSID6024337 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCN(CC)C(=O)SCC1=CC=C(Cl)C=C1 Thiobencarb 28249-77-6|Thiobencarb|(S-(4-Chlorobenzyl)N,N-diethylthiolcarbamate)|Benthiocarb|BRN 1968440|Carbamic acid, diethylthio-, S-(p-chlorobenzyl) ester|Carbamothioic acid, diethyl-, S-[(4-chlorophenyl)methyl] ester|Carbamothioic acid, N,N-diethyl-, S-[(4-chlorophenyl)methyl] ester|Caswell No. 207DA|Diethyl-carbamothioic acid, S-((4-chlorophenyl)methyl) ester|diethylthiocarbamate de S-4-chlorobenzyle|dietiltiocarbamato de S-4-clorobencilo|EINECS 248-924-5|EPA Pesticide Chemical Code 108401|p-Chlorobenzyl diethylthiolcarbamate|p-Chlorobenzyl N,N-diethylthiolcarbamate|S-((4-Chlorophenyl)methyl) diethylcarbamothioate|S-((4-Chlorophenyl)methyl)diethylcarbamothioate|S-(4-Chlorobenzyl) diethylthiocarbamate|S-(4-Chlorobenzyl) diethylthiolcarbamate|S-(4-Chlorobenzyl) N,N-diethylthiocarbamate|S-(4-Chlorobenzyl)-N,N-diethylthiocarbamate|S-(p-Chlorobenzyl) diethylthiocarbamate|S-(p-Chlorobenzyl) N,N-diethylthiocarbamate|S-(p-Chlorobenzyl) N,N-diethylthiolocarbamate|S-4-Chlorbenzyldiethylthiocarbamat|S-4-Chlorobenzyl diethyl(thiocarbamate)|S-4-chlor|11099-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024337
ARPathway2016 ARPathway2016_1099 Thiobencarb 28249-77-6 DTXSID6024337 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCN(CC)C(=O)SCC1=CC=C(Cl)C=C1 Thiobencarb 28249-77-6|Thiobencarb|(S-(4-Chlorobenzyl)N,N-diethylthiolcarbamate)|Benthiocarb|BRN 1968440|Carbamic acid, diethylthio-, S-(p-chlorobenzyl) ester|Carbamothioic acid, diethyl-, S-[(4-chlorophenyl)methyl] ester|Carbamothioic acid, N,N-diethyl-, S-[(4-chlorophenyl)methyl] ester|Caswell No. 207DA|Diethyl-carbamothioic acid, S-((4-chlorophenyl)methyl) ester|diethylthiocarbamate de S-4-chlorobenzyle|dietiltiocarbamato de S-4-clorobencilo|EINECS 248-924-5|EPA Pesticide Chemical Code 108401|p-Chlorobenzyl diethylthiolcarbamate|p-Chlorobenzyl N,N-diethylthiolcarbamate|S-((4-Chlorophenyl)methyl) diethylcarbamothioate|S-((4-Chlorophenyl)methyl)diethylcarbamothioate|S-(4-Chlorobenzyl) diethylthiocarbamate|S-(4-Chlorobenzyl) diethylthiolcarbamate|S-(4-Chlorobenzyl) N,N-diethylthiocarbamate|S-(4-Chlorobenzyl)-N,N-diethylthiocarbamate|S-(p-Chlorobenzyl) diethylthiocarbamate|S-(p-Chlorobenzyl) N,N-diethylthiocarbamate|S-(p-Chlorobenzyl) N,N-diethylthiolocarbamate|S-4-Chlorbenzyldiethylthiocarbamat|S-4-Chlorobenzyl diethyl(thiocarbamate)|S-4-chlor|11099-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024337
ARPathway2016 ARPathway2016_1099 Thiobencarb 28249-77-6 DTXSID6024337 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCN(CC)C(=O)SCC1=CC=C(Cl)C=C1 Thiobencarb 28249-77-6|Thiobencarb|(S-(4-Chlorobenzyl)N,N-diethylthiolcarbamate)|Benthiocarb|BRN 1968440|Carbamic acid, diethylthio-, S-(p-chlorobenzyl) ester|Carbamothioic acid, diethyl-, S-[(4-chlorophenyl)methyl] ester|Carbamothioic acid, N,N-diethyl-, S-[(4-chlorophenyl)methyl] ester|Caswell No. 207DA|Diethyl-carbamothioic acid, S-((4-chlorophenyl)methyl) ester|diethylthiocarbamate de S-4-chlorobenzyle|dietiltiocarbamato de S-4-clorobencilo|EINECS 248-924-5|EPA Pesticide Chemical Code 108401|p-Chlorobenzyl diethylthiolcarbamate|p-Chlorobenzyl N,N-diethylthiolcarbamate|S-((4-Chlorophenyl)methyl) diethylcarbamothioate|S-((4-Chlorophenyl)methyl)diethylcarbamothioate|S-(4-Chlorobenzyl) diethylthiocarbamate|S-(4-Chlorobenzyl) diethylthiolcarbamate|S-(4-Chlorobenzyl) N,N-diethylthiocarbamate|S-(4-Chlorobenzyl)-N,N-diethylthiocarbamate|S-(p-Chlorobenzyl) diethylthiocarbamate|S-(p-Chlorobenzyl) N,N-diethylthiocarbamate|S-(p-Chlorobenzyl) N,N-diethylthiolocarbamate|S-4-Chlorbenzyldiethylthiocarbamat|S-4-Chlorobenzyl diethyl(thiocarbamate)|S-4-chlor|11099-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024337
ARPathway2016 ARPathway2016_1099 Thiobencarb 28249-77-6 DTXSID6024337 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCN(CC)C(=O)SCC1=CC=C(Cl)C=C1 Thiobencarb 28249-77-6|Thiobencarb|(S-(4-Chlorobenzyl)N,N-diethylthiolcarbamate)|Benthiocarb|BRN 1968440|Carbamic acid, diethylthio-, S-(p-chlorobenzyl) ester|Carbamothioic acid, diethyl-, S-[(4-chlorophenyl)methyl] ester|Carbamothioic acid, N,N-diethyl-, S-[(4-chlorophenyl)methyl] ester|Caswell No. 207DA|Diethyl-carbamothioic acid, S-((4-chlorophenyl)methyl) ester|diethylthiocarbamate de S-4-chlorobenzyle|dietiltiocarbamato de S-4-clorobencilo|EINECS 248-924-5|EPA Pesticide Chemical Code 108401|p-Chlorobenzyl diethylthiolcarbamate|p-Chlorobenzyl N,N-diethylthiolcarbamate|S-((4-Chlorophenyl)methyl) diethylcarbamothioate|S-((4-Chlorophenyl)methyl)diethylcarbamothioate|S-(4-Chlorobenzyl) diethylthiocarbamate|S-(4-Chlorobenzyl) diethylthiolcarbamate|S-(4-Chlorobenzyl) N,N-diethylthiocarbamate|S-(4-Chlorobenzyl)-N,N-diethylthiocarbamate|S-(p-Chlorobenzyl) diethylthiocarbamate|S-(p-Chlorobenzyl) N,N-diethylthiocarbamate|S-(p-Chlorobenzyl) N,N-diethylthiolocarbamate|S-4-Chlorbenzyldiethylthiocarbamat|S-4-Chlorobenzyl diethyl(thiocarbamate)|S-4-chlor|11099-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024337
ERPathway2016 ERPathway2016_816 Thiobencarb 28249-77-6 DTXSID6024337 ER Pathway Model, Agonist Model Score 0 Unitless CCN(CC)C(=O)SCC1=CC=C(Cl)C=C1 Thiobencarb 28249-77-6|Thiobencarb|(S-(4-Chlorobenzyl)N,N-diethylthiolcarbamate)|Benthiocarb|BRN 1968440|Carbamic acid, diethylthio-, S-(p-chlorobenzyl) ester|Carbamothioic acid, diethyl-, S-[(4-chlorophenyl)methyl] ester|Carbamothioic acid, N,N-diethyl-, S-[(4-chlorophenyl)methyl] ester|Caswell No. 207DA|Diethyl-carbamothioic acid, S-((4-chlorophenyl)methyl) ester|diethylthiocarbamate de S-4-chlorobenzyle|dietiltiocarbamato de S-4-clorobencilo|EINECS 248-924-5|EPA Pesticide Chemical Code 108401|p-Chlorobenzyl diethylthiolcarbamate|p-Chlorobenzyl N,N-diethylthiolcarbamate|S-((4-Chlorophenyl)methyl) diethylcarbamothioate|S-((4-Chlorophenyl)methyl)diethylcarbamothioate|S-(4-Chlorobenzyl) diethylthiocarbamate|S-(4-Chlorobenzyl) diethylthiolcarbamate|S-(4-Chlorobenzyl) N,N-diethylthiocarbamate|S-(4-Chlorobenzyl)-N,N-diethylthiocarbamate|S-(p-Chlorobenzyl) diethylthiocarbamate|S-(p-Chlorobenzyl) N,N-diethylthiocarbamate|S-(p-Chlorobenzyl) N,N-diethylthiolocarbamate|S-4-Chlorbenzyldiethylthiocarbamat|S-4-Chlorobenzyl diethyl(thiocarbamate)|S-4-chlor|11099-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024337
ERPathway2016 ERPathway2016_816 Thiobencarb 28249-77-6 DTXSID6024337 ER Pathway Model, Antagonist Model Score 0 Unitless CCN(CC)C(=O)SCC1=CC=C(Cl)C=C1 Thiobencarb 28249-77-6|Thiobencarb|(S-(4-Chlorobenzyl)N,N-diethylthiolcarbamate)|Benthiocarb|BRN 1968440|Carbamic acid, diethylthio-, S-(p-chlorobenzyl) ester|Carbamothioic acid, diethyl-, S-[(4-chlorophenyl)methyl] ester|Carbamothioic acid, N,N-diethyl-, S-[(4-chlorophenyl)methyl] ester|Caswell No. 207DA|Diethyl-carbamothioic acid, S-((4-chlorophenyl)methyl) ester|diethylthiocarbamate de S-4-chlorobenzyle|dietiltiocarbamato de S-4-clorobencilo|EINECS 248-924-5|EPA Pesticide Chemical Code 108401|p-Chlorobenzyl diethylthiolcarbamate|p-Chlorobenzyl N,N-diethylthiolcarbamate|S-((4-Chlorophenyl)methyl) diethylcarbamothioate|S-((4-Chlorophenyl)methyl)diethylcarbamothioate|S-(4-Chlorobenzyl) diethylthiocarbamate|S-(4-Chlorobenzyl) diethylthiolcarbamate|S-(4-Chlorobenzyl) N,N-diethylthiocarbamate|S-(4-Chlorobenzyl)-N,N-diethylthiocarbamate|S-(p-Chlorobenzyl) diethylthiocarbamate|S-(p-Chlorobenzyl) N,N-diethylthiocarbamate|S-(p-Chlorobenzyl) N,N-diethylthiolocarbamate|S-4-Chlorbenzyldiethylthiocarbamat|S-4-Chlorobenzyl diethyl(thiocarbamate)|S-4-chlor|11099-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024337
ERPathway2016 ERPathway2016_816 Thiobencarb 28249-77-6 DTXSID6024337 ER Pathway Model, Agonist Call Inactive Unitless CCN(CC)C(=O)SCC1=CC=C(Cl)C=C1 Thiobencarb 28249-77-6|Thiobencarb|(S-(4-Chlorobenzyl)N,N-diethylthiolcarbamate)|Benthiocarb|BRN 1968440|Carbamic acid, diethylthio-, S-(p-chlorobenzyl) ester|Carbamothioic acid, diethyl-, S-[(4-chlorophenyl)methyl] ester|Carbamothioic acid, N,N-diethyl-, S-[(4-chlorophenyl)methyl] ester|Caswell No. 207DA|Diethyl-carbamothioic acid, S-((4-chlorophenyl)methyl) ester|diethylthiocarbamate de S-4-chlorobenzyle|dietiltiocarbamato de S-4-clorobencilo|EINECS 248-924-5|EPA Pesticide Chemical Code 108401|p-Chlorobenzyl diethylthiolcarbamate|p-Chlorobenzyl N,N-diethylthiolcarbamate|S-((4-Chlorophenyl)methyl) diethylcarbamothioate|S-((4-Chlorophenyl)methyl)diethylcarbamothioate|S-(4-Chlorobenzyl) diethylthiocarbamate|S-(4-Chlorobenzyl) diethylthiolcarbamate|S-(4-Chlorobenzyl) N,N-diethylthiocarbamate|S-(4-Chlorobenzyl)-N,N-diethylthiocarbamate|S-(p-Chlorobenzyl) diethylthiocarbamate|S-(p-Chlorobenzyl) N,N-diethylthiocarbamate|S-(p-Chlorobenzyl) N,N-diethylthiolocarbamate|S-4-Chlorbenzyldiethylthiocarbamat|S-4-Chlorobenzyl diethyl(thiocarbamate)|S-4-chlor|11099-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024337
ERPathway2016 ERPathway2016_816 Thiobencarb 28249-77-6 DTXSID6024337 ER Pathway Model, Antagonist Call Inactive Unitless CCN(CC)C(=O)SCC1=CC=C(Cl)C=C1 Thiobencarb 28249-77-6|Thiobencarb|(S-(4-Chlorobenzyl)N,N-diethylthiolcarbamate)|Benthiocarb|BRN 1968440|Carbamic acid, diethylthio-, S-(p-chlorobenzyl) ester|Carbamothioic acid, diethyl-, S-[(4-chlorophenyl)methyl] ester|Carbamothioic acid, N,N-diethyl-, S-[(4-chlorophenyl)methyl] ester|Caswell No. 207DA|Diethyl-carbamothioic acid, S-((4-chlorophenyl)methyl) ester|diethylthiocarbamate de S-4-chlorobenzyle|dietiltiocarbamato de S-4-clorobencilo|EINECS 248-924-5|EPA Pesticide Chemical Code 108401|p-Chlorobenzyl diethylthiolcarbamate|p-Chlorobenzyl N,N-diethylthiolcarbamate|S-((4-Chlorophenyl)methyl) diethylcarbamothioate|S-((4-Chlorophenyl)methyl)diethylcarbamothioate|S-(4-Chlorobenzyl) diethylthiocarbamate|S-(4-Chlorobenzyl) diethylthiolcarbamate|S-(4-Chlorobenzyl) N,N-diethylthiocarbamate|S-(4-Chlorobenzyl)-N,N-diethylthiocarbamate|S-(p-Chlorobenzyl) diethylthiocarbamate|S-(p-Chlorobenzyl) N,N-diethylthiocarbamate|S-(p-Chlorobenzyl) N,N-diethylthiolocarbamate|S-4-Chlorbenzyldiethylthiocarbamat|S-4-Chlorobenzyl diethyl(thiocarbamate)|S-4-chlor|11099-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6024337
ARPathway2016 ARPathway2016_1010 Thiocarbazide 2231-57-4 DTXSID7027461 1.0 A10 AR Pathway Model, Antagonist Model Score 0 Unitless NNC(=S)NN Thiocarbazide 2231-57-4|Thiocarbazide|1,3-Diamino-2-thiourea|4-03-00-00388|BRN 0506657|Carbonothioic dihydrazide|EINECS 218-769-8|Hydrazinecarbohydrazonothioic acid|NSC 689|Thiocarbohydrazide|Thiocarbonic dihydrazide|UNII-1IZ2H82NWU|USAF EK-7372 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027461
ARPathway2016 ARPathway2016_1010 Thiocarbazide 2231-57-4 DTXSID7027461 1.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless NNC(=S)NN Thiocarbazide 2231-57-4|Thiocarbazide|1,3-Diamino-2-thiourea|4-03-00-00388|BRN 0506657|Carbonothioic dihydrazide|EINECS 218-769-8|Hydrazinecarbohydrazonothioic acid|NSC 689|Thiocarbohydrazide|Thiocarbonic dihydrazide|UNII-1IZ2H82NWU|USAF EK-7372 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027461
ARPathway2016 ARPathway2016_1010 Thiocarbazide 2231-57-4 DTXSID7027461 1.0 A10 AR Pathway Model, Agonist Call Inactive Unitless NNC(=S)NN Thiocarbazide 2231-57-4|Thiocarbazide|1,3-Diamino-2-thiourea|4-03-00-00388|BRN 0506657|Carbonothioic dihydrazide|EINECS 218-769-8|Hydrazinecarbohydrazonothioic acid|NSC 689|Thiocarbohydrazide|Thiocarbonic dihydrazide|UNII-1IZ2H82NWU|USAF EK-7372 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027461
ARPathway2016 ARPathway2016_1010 Thiocarbazide 2231-57-4 DTXSID7027461 1.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless NNC(=S)NN Thiocarbazide 2231-57-4|Thiocarbazide|1,3-Diamino-2-thiourea|4-03-00-00388|BRN 0506657|Carbonothioic dihydrazide|EINECS 218-769-8|Hydrazinecarbohydrazonothioic acid|NSC 689|Thiocarbohydrazide|Thiocarbonic dihydrazide|UNII-1IZ2H82NWU|USAF EK-7372 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027461
ERPathway2016 ERPathway2016_931 Thiocarbazide 2231-57-4 DTXSID7027461 ER Pathway Model, Agonist Model Score 0 Unitless NNC(=S)NN Thiocarbazide 2231-57-4|Thiocarbazide|1,3-Diamino-2-thiourea|4-03-00-00388|BRN 0506657|Carbonothioic dihydrazide|EINECS 218-769-8|Hydrazinecarbohydrazonothioic acid|NSC 689|Thiocarbohydrazide|Thiocarbonic dihydrazide|UNII-1IZ2H82NWU|USAF EK-7372 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027461
ERPathway2016 ERPathway2016_931 Thiocarbazide 2231-57-4 DTXSID7027461 ER Pathway Model, Antagonist Model Score 0 Unitless NNC(=S)NN Thiocarbazide 2231-57-4|Thiocarbazide|1,3-Diamino-2-thiourea|4-03-00-00388|BRN 0506657|Carbonothioic dihydrazide|EINECS 218-769-8|Hydrazinecarbohydrazonothioic acid|NSC 689|Thiocarbohydrazide|Thiocarbonic dihydrazide|UNII-1IZ2H82NWU|USAF EK-7372 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027461
ERPathway2016 ERPathway2016_931 Thiocarbazide 2231-57-4 DTXSID7027461 ER Pathway Model, Agonist Call Inactive Unitless NNC(=S)NN Thiocarbazide 2231-57-4|Thiocarbazide|1,3-Diamino-2-thiourea|4-03-00-00388|BRN 0506657|Carbonothioic dihydrazide|EINECS 218-769-8|Hydrazinecarbohydrazonothioic acid|NSC 689|Thiocarbohydrazide|Thiocarbonic dihydrazide|UNII-1IZ2H82NWU|USAF EK-7372 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027461
ERPathway2016 ERPathway2016_931 Thiocarbazide 2231-57-4 DTXSID7027461 ER Pathway Model, Antagonist Call Inactive Unitless NNC(=S)NN Thiocarbazide 2231-57-4|Thiocarbazide|1,3-Diamino-2-thiourea|4-03-00-00388|BRN 0506657|Carbonothioic dihydrazide|EINECS 218-769-8|Hydrazinecarbohydrazonothioic acid|NSC 689|Thiocarbohydrazide|Thiocarbonic dihydrazide|UNII-1IZ2H82NWU|USAF EK-7372 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027461
ARPathway2016 ARPathway2016_1379 Thiodicarb 59669-26-0 DTXSID0032578 True antagonist shift (No hit/Hit) 2.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC Thiodicarb 59669-26-0|Thiodicarb|3,7,9,13-Tetramethyl-5,11-dioxa-2,8,14-trithia-4,7,9,12-tetra-azapentadeca-3,12-diene-6,10-dione|6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 2,4,8-trimethyl-5-oxo-,[1-(methylthio)ethylidene]azanyl ester|Bismethomyl thioether|BRN 2015026|Caswell No. 900AA|Dicarbasulf|Dicarbosulf|Dimethyl N,N'-(thiobis((methylimino)carbonyloxy))bis(ethanimidothioate)|Dimethyl N,N'-{sulfanediylbis[(methylcarbamoyl)oxy]}diethanimidothioate|Dimethyl-N,N'-(thiobis(((methylimino)carbonyl)oxy))bis(ethanimidothioate)|EINECS 261-848-7|EPA Pesticide Chemical Code 114501|Ethanimidothioic acid, N,N'-(thiobis((methylimino)carbonyloxy))bis-, dimethyl ester|Ethanimidothioic acid, N,N'-[thiobis[(methylimino)carbonyloxy]]bis-, dimethyl ester|Larvin thio dicarb insecticide ovicide|Lepicron|Liushuanwei|N,N'-(Thiobis((methylimino)carbonyloxy))bisethanimidothioic acid dimethyl ester|N,N'-Bis(1-methylthioacetaldehyde O-(N-methylcarbamoyl)oxime)sulfide|Semevin|UNII-K6S32206KF|149440-58-4|65154-62-3|72424-66-9|78876-59-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032578
ARPathway2016 ARPathway2016_1379 Thiodicarb 59669-26-0 DTXSID0032578 True antagonist shift (No hit/Hit) 2.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC Thiodicarb 59669-26-0|Thiodicarb|3,7,9,13-Tetramethyl-5,11-dioxa-2,8,14-trithia-4,7,9,12-tetra-azapentadeca-3,12-diene-6,10-dione|6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 2,4,8-trimethyl-5-oxo-,[1-(methylthio)ethylidene]azanyl ester|Bismethomyl thioether|BRN 2015026|Caswell No. 900AA|Dicarbasulf|Dicarbosulf|Dimethyl N,N'-(thiobis((methylimino)carbonyloxy))bis(ethanimidothioate)|Dimethyl N,N'-{sulfanediylbis[(methylcarbamoyl)oxy]}diethanimidothioate|Dimethyl-N,N'-(thiobis(((methylimino)carbonyl)oxy))bis(ethanimidothioate)|EINECS 261-848-7|EPA Pesticide Chemical Code 114501|Ethanimidothioic acid, N,N'-(thiobis((methylimino)carbonyloxy))bis-, dimethyl ester|Ethanimidothioic acid, N,N'-[thiobis[(methylimino)carbonyloxy]]bis-, dimethyl ester|Larvin thio dicarb insecticide ovicide|Lepicron|Liushuanwei|N,N'-(Thiobis((methylimino)carbonyloxy))bisethanimidothioic acid dimethyl ester|N,N'-Bis(1-methylthioacetaldehyde O-(N-methylcarbamoyl)oxime)sulfide|Semevin|UNII-K6S32206KF|149440-58-4|65154-62-3|72424-66-9|78876-59-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032578
ARPathway2016 ARPathway2016_1379 Thiodicarb 59669-26-0 DTXSID0032578 True antagonist shift (No hit/Hit) 2.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC Thiodicarb 59669-26-0|Thiodicarb|3,7,9,13-Tetramethyl-5,11-dioxa-2,8,14-trithia-4,7,9,12-tetra-azapentadeca-3,12-diene-6,10-dione|6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 2,4,8-trimethyl-5-oxo-,[1-(methylthio)ethylidene]azanyl ester|Bismethomyl thioether|BRN 2015026|Caswell No. 900AA|Dicarbasulf|Dicarbosulf|Dimethyl N,N'-(thiobis((methylimino)carbonyloxy))bis(ethanimidothioate)|Dimethyl N,N'-{sulfanediylbis[(methylcarbamoyl)oxy]}diethanimidothioate|Dimethyl-N,N'-(thiobis(((methylimino)carbonyl)oxy))bis(ethanimidothioate)|EINECS 261-848-7|EPA Pesticide Chemical Code 114501|Ethanimidothioic acid, N,N'-(thiobis((methylimino)carbonyloxy))bis-, dimethyl ester|Ethanimidothioic acid, N,N'-[thiobis[(methylimino)carbonyloxy]]bis-, dimethyl ester|Larvin thio dicarb insecticide ovicide|Lepicron|Liushuanwei|N,N'-(Thiobis((methylimino)carbonyloxy))bisethanimidothioic acid dimethyl ester|N,N'-Bis(1-methylthioacetaldehyde O-(N-methylcarbamoyl)oxime)sulfide|Semevin|UNII-K6S32206KF|149440-58-4|65154-62-3|72424-66-9|78876-59-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032578
ARPathway2016 ARPathway2016_1379 Thiodicarb 59669-26-0 DTXSID0032578 True antagonist shift (No hit/Hit) 2.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC Thiodicarb 59669-26-0|Thiodicarb|3,7,9,13-Tetramethyl-5,11-dioxa-2,8,14-trithia-4,7,9,12-tetra-azapentadeca-3,12-diene-6,10-dione|6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 2,4,8-trimethyl-5-oxo-,[1-(methylthio)ethylidene]azanyl ester|Bismethomyl thioether|BRN 2015026|Caswell No. 900AA|Dicarbasulf|Dicarbosulf|Dimethyl N,N'-(thiobis((methylimino)carbonyloxy))bis(ethanimidothioate)|Dimethyl N,N'-{sulfanediylbis[(methylcarbamoyl)oxy]}diethanimidothioate|Dimethyl-N,N'-(thiobis(((methylimino)carbonyl)oxy))bis(ethanimidothioate)|EINECS 261-848-7|EPA Pesticide Chemical Code 114501|Ethanimidothioic acid, N,N'-(thiobis((methylimino)carbonyloxy))bis-, dimethyl ester|Ethanimidothioic acid, N,N'-[thiobis[(methylimino)carbonyloxy]]bis-, dimethyl ester|Larvin thio dicarb insecticide ovicide|Lepicron|Liushuanwei|N,N'-(Thiobis((methylimino)carbonyloxy))bisethanimidothioic acid dimethyl ester|N,N'-Bis(1-methylthioacetaldehyde O-(N-methylcarbamoyl)oxime)sulfide|Semevin|UNII-K6S32206KF|149440-58-4|65154-62-3|72424-66-9|78876-59-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032578
ERPathway2016 ERPathway2016_1024 Thiodicarb 59669-26-0 DTXSID0032578 ER Pathway Model, Agonist Model Score 0 Unitless CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC Thiodicarb 59669-26-0|Thiodicarb|3,7,9,13-Tetramethyl-5,11-dioxa-2,8,14-trithia-4,7,9,12-tetra-azapentadeca-3,12-diene-6,10-dione|6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 2,4,8-trimethyl-5-oxo-,[1-(methylthio)ethylidene]azanyl ester|Bismethomyl thioether|BRN 2015026|Caswell No. 900AA|Dicarbasulf|Dicarbosulf|Dimethyl N,N'-(thiobis((methylimino)carbonyloxy))bis(ethanimidothioate)|Dimethyl N,N'-{sulfanediylbis[(methylcarbamoyl)oxy]}diethanimidothioate|Dimethyl-N,N'-(thiobis(((methylimino)carbonyl)oxy))bis(ethanimidothioate)|EINECS 261-848-7|EPA Pesticide Chemical Code 114501|Ethanimidothioic acid, N,N'-(thiobis((methylimino)carbonyloxy))bis-, dimethyl ester|Ethanimidothioic acid, N,N'-[thiobis[(methylimino)carbonyloxy]]bis-, dimethyl ester|Larvin thio dicarb insecticide ovicide|Lepicron|Liushuanwei|N,N'-(Thiobis((methylimino)carbonyloxy))bisethanimidothioic acid dimethyl ester|N,N'-Bis(1-methylthioacetaldehyde O-(N-methylcarbamoyl)oxime)sulfide|Semevin|UNII-K6S32206KF|149440-58-4|65154-62-3|72424-66-9|78876-59-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032578
ERPathway2016 ERPathway2016_1024 Thiodicarb 59669-26-0 DTXSID0032578 ER Pathway Model, Antagonist Model Score 0 Unitless CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC Thiodicarb 59669-26-0|Thiodicarb|3,7,9,13-Tetramethyl-5,11-dioxa-2,8,14-trithia-4,7,9,12-tetra-azapentadeca-3,12-diene-6,10-dione|6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 2,4,8-trimethyl-5-oxo-,[1-(methylthio)ethylidene]azanyl ester|Bismethomyl thioether|BRN 2015026|Caswell No. 900AA|Dicarbasulf|Dicarbosulf|Dimethyl N,N'-(thiobis((methylimino)carbonyloxy))bis(ethanimidothioate)|Dimethyl N,N'-{sulfanediylbis[(methylcarbamoyl)oxy]}diethanimidothioate|Dimethyl-N,N'-(thiobis(((methylimino)carbonyl)oxy))bis(ethanimidothioate)|EINECS 261-848-7|EPA Pesticide Chemical Code 114501|Ethanimidothioic acid, N,N'-(thiobis((methylimino)carbonyloxy))bis-, dimethyl ester|Ethanimidothioic acid, N,N'-[thiobis[(methylimino)carbonyloxy]]bis-, dimethyl ester|Larvin thio dicarb insecticide ovicide|Lepicron|Liushuanwei|N,N'-(Thiobis((methylimino)carbonyloxy))bisethanimidothioic acid dimethyl ester|N,N'-Bis(1-methylthioacetaldehyde O-(N-methylcarbamoyl)oxime)sulfide|Semevin|UNII-K6S32206KF|149440-58-4|65154-62-3|72424-66-9|78876-59-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032578
ERPathway2016 ERPathway2016_1024 Thiodicarb 59669-26-0 DTXSID0032578 ER Pathway Model, Agonist Call Inactive Unitless CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC Thiodicarb 59669-26-0|Thiodicarb|3,7,9,13-Tetramethyl-5,11-dioxa-2,8,14-trithia-4,7,9,12-tetra-azapentadeca-3,12-diene-6,10-dione|6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 2,4,8-trimethyl-5-oxo-,[1-(methylthio)ethylidene]azanyl ester|Bismethomyl thioether|BRN 2015026|Caswell No. 900AA|Dicarbasulf|Dicarbosulf|Dimethyl N,N'-(thiobis((methylimino)carbonyloxy))bis(ethanimidothioate)|Dimethyl N,N'-{sulfanediylbis[(methylcarbamoyl)oxy]}diethanimidothioate|Dimethyl-N,N'-(thiobis(((methylimino)carbonyl)oxy))bis(ethanimidothioate)|EINECS 261-848-7|EPA Pesticide Chemical Code 114501|Ethanimidothioic acid, N,N'-(thiobis((methylimino)carbonyloxy))bis-, dimethyl ester|Ethanimidothioic acid, N,N'-[thiobis[(methylimino)carbonyloxy]]bis-, dimethyl ester|Larvin thio dicarb insecticide ovicide|Lepicron|Liushuanwei|N,N'-(Thiobis((methylimino)carbonyloxy))bisethanimidothioic acid dimethyl ester|N,N'-Bis(1-methylthioacetaldehyde O-(N-methylcarbamoyl)oxime)sulfide|Semevin|UNII-K6S32206KF|149440-58-4|65154-62-3|72424-66-9|78876-59-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032578
ERPathway2016 ERPathway2016_1024 Thiodicarb 59669-26-0 DTXSID0032578 ER Pathway Model, Antagonist Call Inactive Unitless CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC Thiodicarb 59669-26-0|Thiodicarb|3,7,9,13-Tetramethyl-5,11-dioxa-2,8,14-trithia-4,7,9,12-tetra-azapentadeca-3,12-diene-6,10-dione|6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 2,4,8-trimethyl-5-oxo-,[1-(methylthio)ethylidene]azanyl ester|Bismethomyl thioether|BRN 2015026|Caswell No. 900AA|Dicarbasulf|Dicarbosulf|Dimethyl N,N'-(thiobis((methylimino)carbonyloxy))bis(ethanimidothioate)|Dimethyl N,N'-{sulfanediylbis[(methylcarbamoyl)oxy]}diethanimidothioate|Dimethyl-N,N'-(thiobis(((methylimino)carbonyl)oxy))bis(ethanimidothioate)|EINECS 261-848-7|EPA Pesticide Chemical Code 114501|Ethanimidothioic acid, N,N'-(thiobis((methylimino)carbonyloxy))bis-, dimethyl ester|Ethanimidothioic acid, N,N'-[thiobis[(methylimino)carbonyloxy]]bis-, dimethyl ester|Larvin thio dicarb insecticide ovicide|Lepicron|Liushuanwei|N,N'-(Thiobis((methylimino)carbonyloxy))bisethanimidothioic acid dimethyl ester|N,N'-Bis(1-methylthioacetaldehyde O-(N-methylcarbamoyl)oxime)sulfide|Semevin|UNII-K6S32206KF|149440-58-4|65154-62-3|72424-66-9|78876-59-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032578
ARPathway2016 ARPathway2016_1477 Thioglycolic acid 68-11-1 DTXSID8026141 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CS Thioglycolic acid 68-11-1|Thioglycolic acid|2-Mercaptoacetic acid|2-Mercaptoethanoic acid|2-Thioglycolic acid|4-03-00-00600|Acetic acid, 2-mercapto-|Acetic acid, mercapto-|Acide mercaptoacetique|Acide thioglycolique|acido mercaptoacetico|alpha-mercaptoacetic acid|BRN 0506166|EINECS 200-677-4|Glycolic acid, 2-thio-|Glycolic acid, thio-|Kyselina merkaptooctova|Kyselina thioglykolova|mercaptoacetic acid|Mercaptoessigsaeure|Mercaptoessigsaure|Merkaptoessigsaeure|NSC 1894|SULFANYLACETIC ACID|Sulfhydrylacetic acid|Thioglycolate|Thioglycollic acid|THIOGLYKOLSAEURE|THIOGLYKOLSAEURE, TECHN., 10%-LOESUNG|Thiovanic acid|UN 1940|UNII-7857H94KHM|a-Mercaptoacetic acid|57755-20-1|7283-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026141 https://doi.org/10.22427/NTP-DATA-DTXSID8026141
ARPathway2016 ARPathway2016_1477 Thioglycolic acid 68-11-1 DTXSID8026141 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)CS Thioglycolic acid 68-11-1|Thioglycolic acid|2-Mercaptoacetic acid|2-Mercaptoethanoic acid|2-Thioglycolic acid|4-03-00-00600|Acetic acid, 2-mercapto-|Acetic acid, mercapto-|Acide mercaptoacetique|Acide thioglycolique|acido mercaptoacetico|alpha-mercaptoacetic acid|BRN 0506166|EINECS 200-677-4|Glycolic acid, 2-thio-|Glycolic acid, thio-|Kyselina merkaptooctova|Kyselina thioglykolova|mercaptoacetic acid|Mercaptoessigsaeure|Mercaptoessigsaure|Merkaptoessigsaeure|NSC 1894|SULFANYLACETIC ACID|Sulfhydrylacetic acid|Thioglycolate|Thioglycollic acid|THIOGLYKOLSAEURE|THIOGLYKOLSAEURE, TECHN., 10%-LOESUNG|Thiovanic acid|UN 1940|UNII-7857H94KHM|a-Mercaptoacetic acid|57755-20-1|7283-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026141 https://doi.org/10.22427/NTP-DATA-DTXSID8026141
ARPathway2016 ARPathway2016_1477 Thioglycolic acid 68-11-1 DTXSID8026141 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)CS Thioglycolic acid 68-11-1|Thioglycolic acid|2-Mercaptoacetic acid|2-Mercaptoethanoic acid|2-Thioglycolic acid|4-03-00-00600|Acetic acid, 2-mercapto-|Acetic acid, mercapto-|Acide mercaptoacetique|Acide thioglycolique|acido mercaptoacetico|alpha-mercaptoacetic acid|BRN 0506166|EINECS 200-677-4|Glycolic acid, 2-thio-|Glycolic acid, thio-|Kyselina merkaptooctova|Kyselina thioglykolova|mercaptoacetic acid|Mercaptoessigsaeure|Mercaptoessigsaure|Merkaptoessigsaeure|NSC 1894|SULFANYLACETIC ACID|Sulfhydrylacetic acid|Thioglycolate|Thioglycollic acid|THIOGLYKOLSAEURE|THIOGLYKOLSAEURE, TECHN., 10%-LOESUNG|Thiovanic acid|UN 1940|UNII-7857H94KHM|a-Mercaptoacetic acid|57755-20-1|7283-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026141 https://doi.org/10.22427/NTP-DATA-DTXSID8026141
ARPathway2016 ARPathway2016_1477 Thioglycolic acid 68-11-1 DTXSID8026141 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)CS Thioglycolic acid 68-11-1|Thioglycolic acid|2-Mercaptoacetic acid|2-Mercaptoethanoic acid|2-Thioglycolic acid|4-03-00-00600|Acetic acid, 2-mercapto-|Acetic acid, mercapto-|Acide mercaptoacetique|Acide thioglycolique|acido mercaptoacetico|alpha-mercaptoacetic acid|BRN 0506166|EINECS 200-677-4|Glycolic acid, 2-thio-|Glycolic acid, thio-|Kyselina merkaptooctova|Kyselina thioglykolova|mercaptoacetic acid|Mercaptoessigsaeure|Mercaptoessigsaure|Merkaptoessigsaeure|NSC 1894|SULFANYLACETIC ACID|Sulfhydrylacetic acid|Thioglycolate|Thioglycollic acid|THIOGLYKOLSAEURE|THIOGLYKOLSAEURE, TECHN., 10%-LOESUNG|Thiovanic acid|UN 1940|UNII-7857H94KHM|a-Mercaptoacetic acid|57755-20-1|7283-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026141 https://doi.org/10.22427/NTP-DATA-DTXSID8026141
ERPathway2016 ERPathway2016_731 Thioglycolic acid 68-11-1 DTXSID8026141 R6 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)CS Thioglycolic acid 68-11-1|Thioglycolic acid|2-Mercaptoacetic acid|2-Mercaptoethanoic acid|2-Thioglycolic acid|4-03-00-00600|Acetic acid, 2-mercapto-|Acetic acid, mercapto-|Acide mercaptoacetique|Acide thioglycolique|acido mercaptoacetico|alpha-mercaptoacetic acid|BRN 0506166|EINECS 200-677-4|Glycolic acid, 2-thio-|Glycolic acid, thio-|Kyselina merkaptooctova|Kyselina thioglykolova|mercaptoacetic acid|Mercaptoessigsaeure|Mercaptoessigsaure|Merkaptoessigsaeure|NSC 1894|SULFANYLACETIC ACID|Sulfhydrylacetic acid|Thioglycolate|Thioglycollic acid|THIOGLYKOLSAEURE|THIOGLYKOLSAEURE, TECHN., 10%-LOESUNG|Thiovanic acid|UN 1940|UNII-7857H94KHM|a-Mercaptoacetic acid|57755-20-1|7283-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026141 https://doi.org/10.22427/NTP-DATA-DTXSID8026141
ERPathway2016 ERPathway2016_731 Thioglycolic acid 68-11-1 DTXSID8026141 R6 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CS Thioglycolic acid 68-11-1|Thioglycolic acid|2-Mercaptoacetic acid|2-Mercaptoethanoic acid|2-Thioglycolic acid|4-03-00-00600|Acetic acid, 2-mercapto-|Acetic acid, mercapto-|Acide mercaptoacetique|Acide thioglycolique|acido mercaptoacetico|alpha-mercaptoacetic acid|BRN 0506166|EINECS 200-677-4|Glycolic acid, 2-thio-|Glycolic acid, thio-|Kyselina merkaptooctova|Kyselina thioglykolova|mercaptoacetic acid|Mercaptoessigsaeure|Mercaptoessigsaure|Merkaptoessigsaeure|NSC 1894|SULFANYLACETIC ACID|Sulfhydrylacetic acid|Thioglycolate|Thioglycollic acid|THIOGLYKOLSAEURE|THIOGLYKOLSAEURE, TECHN., 10%-LOESUNG|Thiovanic acid|UN 1940|UNII-7857H94KHM|a-Mercaptoacetic acid|57755-20-1|7283-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026141 https://doi.org/10.22427/NTP-DATA-DTXSID8026141
ERPathway2016 ERPathway2016_731 Thioglycolic acid 68-11-1 DTXSID8026141 R6 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)CS Thioglycolic acid 68-11-1|Thioglycolic acid|2-Mercaptoacetic acid|2-Mercaptoethanoic acid|2-Thioglycolic acid|4-03-00-00600|Acetic acid, 2-mercapto-|Acetic acid, mercapto-|Acide mercaptoacetique|Acide thioglycolique|acido mercaptoacetico|alpha-mercaptoacetic acid|BRN 0506166|EINECS 200-677-4|Glycolic acid, 2-thio-|Glycolic acid, thio-|Kyselina merkaptooctova|Kyselina thioglykolova|mercaptoacetic acid|Mercaptoessigsaeure|Mercaptoessigsaure|Merkaptoessigsaeure|NSC 1894|SULFANYLACETIC ACID|Sulfhydrylacetic acid|Thioglycolate|Thioglycollic acid|THIOGLYKOLSAEURE|THIOGLYKOLSAEURE, TECHN., 10%-LOESUNG|Thiovanic acid|UN 1940|UNII-7857H94KHM|a-Mercaptoacetic acid|57755-20-1|7283-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026141 https://doi.org/10.22427/NTP-DATA-DTXSID8026141
ERPathway2016 ERPathway2016_731 Thioglycolic acid 68-11-1 DTXSID8026141 R6 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)CS Thioglycolic acid 68-11-1|Thioglycolic acid|2-Mercaptoacetic acid|2-Mercaptoethanoic acid|2-Thioglycolic acid|4-03-00-00600|Acetic acid, 2-mercapto-|Acetic acid, mercapto-|Acide mercaptoacetique|Acide thioglycolique|acido mercaptoacetico|alpha-mercaptoacetic acid|BRN 0506166|EINECS 200-677-4|Glycolic acid, 2-thio-|Glycolic acid, thio-|Kyselina merkaptooctova|Kyselina thioglykolova|mercaptoacetic acid|Mercaptoessigsaeure|Mercaptoessigsaure|Merkaptoessigsaeure|NSC 1894|SULFANYLACETIC ACID|Sulfhydrylacetic acid|Thioglycolate|Thioglycollic acid|THIOGLYKOLSAEURE|THIOGLYKOLSAEURE, TECHN., 10%-LOESUNG|Thiovanic acid|UN 1940|UNII-7857H94KHM|a-Mercaptoacetic acid|57755-20-1|7283-42-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026141 https://doi.org/10.22427/NTP-DATA-DTXSID8026141
ARPathway2016 ARPathway2016_1023 Thiophanate 23564-06-9 DTXSID3034531 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)NC(=S)NC1=C(NC(=S)NC(=O)OCC)C=CC=C1 Thiophanate 23564-06-9|Thiophanate|1,2-Bis(3-(ethoxycarbonyl)-2-thioureido)benzene|1,2-Bis(3-ethoxycarbonyl-2-thioureido) benzene|1,2-Di-(3-ethoxycarbonyl-2-thioureido)benzene|3336 Turf fungicide|4,4'-o-Phenylenebis(ethyl 3-thioallophanate)|BRN 0939969|Caswell No. 344A|Cercobin|Cercobin WP 50%|Chipco Spot Kleen|Cleary 3336|Cleary's Turf Fungicide|Diethyl (benzene-1,2-diyldicarbamothioyl)biscarbamate|Diethyl 4,4'-o-phenylenebis(3-thioallophanate)|diethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate|diethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]|EINECS 245-741-2|EPA Pesticide Chemical Code 103401|Ethyl thiophanate|Nemafax|NSC 170810|Thiofanate|Thiophanat|Thiophanate ethyl|Thiophanate-Ethyl|Tiofanate etile|TM|Topsin E|Topsin NF 35|UNII-5Q0Y96D5I8|Vermadax|37233-54-8|37359-51-6|39300-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034531
ARPathway2016 ARPathway2016_1023 Thiophanate 23564-06-9 DTXSID3034531 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)NC(=S)NC1=C(NC(=S)NC(=O)OCC)C=CC=C1 Thiophanate 23564-06-9|Thiophanate|1,2-Bis(3-(ethoxycarbonyl)-2-thioureido)benzene|1,2-Bis(3-ethoxycarbonyl-2-thioureido) benzene|1,2-Di-(3-ethoxycarbonyl-2-thioureido)benzene|3336 Turf fungicide|4,4'-o-Phenylenebis(ethyl 3-thioallophanate)|BRN 0939969|Caswell No. 344A|Cercobin|Cercobin WP 50%|Chipco Spot Kleen|Cleary 3336|Cleary's Turf Fungicide|Diethyl (benzene-1,2-diyldicarbamothioyl)biscarbamate|Diethyl 4,4'-o-phenylenebis(3-thioallophanate)|diethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate|diethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]|EINECS 245-741-2|EPA Pesticide Chemical Code 103401|Ethyl thiophanate|Nemafax|NSC 170810|Thiofanate|Thiophanat|Thiophanate ethyl|Thiophanate-Ethyl|Tiofanate etile|TM|Topsin E|Topsin NF 35|UNII-5Q0Y96D5I8|Vermadax|37233-54-8|37359-51-6|39300-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034531
ARPathway2016 ARPathway2016_1023 Thiophanate 23564-06-9 DTXSID3034531 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)NC(=S)NC1=C(NC(=S)NC(=O)OCC)C=CC=C1 Thiophanate 23564-06-9|Thiophanate|1,2-Bis(3-(ethoxycarbonyl)-2-thioureido)benzene|1,2-Bis(3-ethoxycarbonyl-2-thioureido) benzene|1,2-Di-(3-ethoxycarbonyl-2-thioureido)benzene|3336 Turf fungicide|4,4'-o-Phenylenebis(ethyl 3-thioallophanate)|BRN 0939969|Caswell No. 344A|Cercobin|Cercobin WP 50%|Chipco Spot Kleen|Cleary 3336|Cleary's Turf Fungicide|Diethyl (benzene-1,2-diyldicarbamothioyl)biscarbamate|Diethyl 4,4'-o-phenylenebis(3-thioallophanate)|diethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate|diethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]|EINECS 245-741-2|EPA Pesticide Chemical Code 103401|Ethyl thiophanate|Nemafax|NSC 170810|Thiofanate|Thiophanat|Thiophanate ethyl|Thiophanate-Ethyl|Tiofanate etile|TM|Topsin E|Topsin NF 35|UNII-5Q0Y96D5I8|Vermadax|37233-54-8|37359-51-6|39300-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034531
ARPathway2016 ARPathway2016_1023 Thiophanate 23564-06-9 DTXSID3034531 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)NC(=S)NC1=C(NC(=S)NC(=O)OCC)C=CC=C1 Thiophanate 23564-06-9|Thiophanate|1,2-Bis(3-(ethoxycarbonyl)-2-thioureido)benzene|1,2-Bis(3-ethoxycarbonyl-2-thioureido) benzene|1,2-Di-(3-ethoxycarbonyl-2-thioureido)benzene|3336 Turf fungicide|4,4'-o-Phenylenebis(ethyl 3-thioallophanate)|BRN 0939969|Caswell No. 344A|Cercobin|Cercobin WP 50%|Chipco Spot Kleen|Cleary 3336|Cleary's Turf Fungicide|Diethyl (benzene-1,2-diyldicarbamothioyl)biscarbamate|Diethyl 4,4'-o-phenylenebis(3-thioallophanate)|diethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate|diethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]|EINECS 245-741-2|EPA Pesticide Chemical Code 103401|Ethyl thiophanate|Nemafax|NSC 170810|Thiofanate|Thiophanat|Thiophanate ethyl|Thiophanate-Ethyl|Tiofanate etile|TM|Topsin E|Topsin NF 35|UNII-5Q0Y96D5I8|Vermadax|37233-54-8|37359-51-6|39300-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034531
ERPathway2016 ERPathway2016_854 Thiophanate 23564-06-9 DTXSID3034531 A15 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)NC(=S)NC1=C(NC(=S)NC(=O)OCC)C=CC=C1 Thiophanate 23564-06-9|Thiophanate|1,2-Bis(3-(ethoxycarbonyl)-2-thioureido)benzene|1,2-Bis(3-ethoxycarbonyl-2-thioureido) benzene|1,2-Di-(3-ethoxycarbonyl-2-thioureido)benzene|3336 Turf fungicide|4,4'-o-Phenylenebis(ethyl 3-thioallophanate)|BRN 0939969|Caswell No. 344A|Cercobin|Cercobin WP 50%|Chipco Spot Kleen|Cleary 3336|Cleary's Turf Fungicide|Diethyl (benzene-1,2-diyldicarbamothioyl)biscarbamate|Diethyl 4,4'-o-phenylenebis(3-thioallophanate)|diethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate|diethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]|EINECS 245-741-2|EPA Pesticide Chemical Code 103401|Ethyl thiophanate|Nemafax|NSC 170810|Thiofanate|Thiophanat|Thiophanate ethyl|Thiophanate-Ethyl|Tiofanate etile|TM|Topsin E|Topsin NF 35|UNII-5Q0Y96D5I8|Vermadax|37233-54-8|37359-51-6|39300-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034531
ERPathway2016 ERPathway2016_854 Thiophanate 23564-06-9 DTXSID3034531 A15 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)NC(=S)NC1=C(NC(=S)NC(=O)OCC)C=CC=C1 Thiophanate 23564-06-9|Thiophanate|1,2-Bis(3-(ethoxycarbonyl)-2-thioureido)benzene|1,2-Bis(3-ethoxycarbonyl-2-thioureido) benzene|1,2-Di-(3-ethoxycarbonyl-2-thioureido)benzene|3336 Turf fungicide|4,4'-o-Phenylenebis(ethyl 3-thioallophanate)|BRN 0939969|Caswell No. 344A|Cercobin|Cercobin WP 50%|Chipco Spot Kleen|Cleary 3336|Cleary's Turf Fungicide|Diethyl (benzene-1,2-diyldicarbamothioyl)biscarbamate|Diethyl 4,4'-o-phenylenebis(3-thioallophanate)|diethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate|diethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]|EINECS 245-741-2|EPA Pesticide Chemical Code 103401|Ethyl thiophanate|Nemafax|NSC 170810|Thiofanate|Thiophanat|Thiophanate ethyl|Thiophanate-Ethyl|Tiofanate etile|TM|Topsin E|Topsin NF 35|UNII-5Q0Y96D5I8|Vermadax|37233-54-8|37359-51-6|39300-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034531
ERPathway2016 ERPathway2016_854 Thiophanate 23564-06-9 DTXSID3034531 A15 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)NC(=S)NC1=C(NC(=S)NC(=O)OCC)C=CC=C1 Thiophanate 23564-06-9|Thiophanate|1,2-Bis(3-(ethoxycarbonyl)-2-thioureido)benzene|1,2-Bis(3-ethoxycarbonyl-2-thioureido) benzene|1,2-Di-(3-ethoxycarbonyl-2-thioureido)benzene|3336 Turf fungicide|4,4'-o-Phenylenebis(ethyl 3-thioallophanate)|BRN 0939969|Caswell No. 344A|Cercobin|Cercobin WP 50%|Chipco Spot Kleen|Cleary 3336|Cleary's Turf Fungicide|Diethyl (benzene-1,2-diyldicarbamothioyl)biscarbamate|Diethyl 4,4'-o-phenylenebis(3-thioallophanate)|diethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate|diethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]|EINECS 245-741-2|EPA Pesticide Chemical Code 103401|Ethyl thiophanate|Nemafax|NSC 170810|Thiofanate|Thiophanat|Thiophanate ethyl|Thiophanate-Ethyl|Tiofanate etile|TM|Topsin E|Topsin NF 35|UNII-5Q0Y96D5I8|Vermadax|37233-54-8|37359-51-6|39300-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034531
ERPathway2016 ERPathway2016_854 Thiophanate 23564-06-9 DTXSID3034531 A15 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)NC(=S)NC1=C(NC(=S)NC(=O)OCC)C=CC=C1 Thiophanate 23564-06-9|Thiophanate|1,2-Bis(3-(ethoxycarbonyl)-2-thioureido)benzene|1,2-Bis(3-ethoxycarbonyl-2-thioureido) benzene|1,2-Di-(3-ethoxycarbonyl-2-thioureido)benzene|3336 Turf fungicide|4,4'-o-Phenylenebis(ethyl 3-thioallophanate)|BRN 0939969|Caswell No. 344A|Cercobin|Cercobin WP 50%|Chipco Spot Kleen|Cleary 3336|Cleary's Turf Fungicide|Diethyl (benzene-1,2-diyldicarbamothioyl)biscarbamate|Diethyl 4,4'-o-phenylenebis(3-thioallophanate)|diethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate|diethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]|EINECS 245-741-2|EPA Pesticide Chemical Code 103401|Ethyl thiophanate|Nemafax|NSC 170810|Thiofanate|Thiophanat|Thiophanate ethyl|Thiophanate-Ethyl|Tiofanate etile|TM|Topsin E|Topsin NF 35|UNII-5Q0Y96D5I8|Vermadax|37233-54-8|37359-51-6|39300-54-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3034531
ARPathway2016 ARPathway2016_1022 Thiophanate-methyl 23564-05-8 DTXSID1024338 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC(=O)NC(=S)NC1=C(NC(=S)NC(=O)OC)C=CC=C1 Thiophanate-methyl 23564-05-8|Thiophanate-methyl|[1,2-Phenylenebis(iminocarbonothioyl)]biscarbamic acid dimethyl ester|1,2-Bis(3-(methoxycarbonyl)-2-thioureido)benzene|1,2-Bis(methoxycarbonylthioureido)benzene|1,2-Bis[3-(methoxycarbonyl)-2-thioureido]benzene|1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene|245-740-7|Allophanic acid, 4,4'-o-phenylenebis[3-thio-, dimethyl ester|BIS(3-THIOALLOPHANATE), DIMETHYL-4,4- (O-PHENYLENE)-|BRN 0937942|Caligran|Carbamic acid, [1,2-phenylenebis(iminocarbonothioyl)]bis-, dimethyl ester|Carbamic acid, N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis-, C,C'-dimethyl ester|Caswell No. 375A|Cercobin M|Cercobin M 70|Cercobin methyl|Cleary's 3336|Cycosin|dimethyl 4,4'-(o-phenylene)bis(3-thioallophanate)|Dimethyl 4,4'-o-phenylenebis(3-thioallophanate)|dimethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate|dimethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]|EC No.: 245-740-7|EINECS 245-740-7|Enovit M|Enovit M 70|Enovit methyl|Enovit Super|Enovit-methyl|EPA Pesticide Chemical Code 102001|Methyl thiophanate||1135443-49-0|50814-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024338 https://doi.org/10.22427/NTP-DATA-DTXSID1024338
ARPathway2016 ARPathway2016_1022 Thiophanate-methyl 23564-05-8 DTXSID1024338 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC(=O)NC(=S)NC1=C(NC(=S)NC(=O)OC)C=CC=C1 Thiophanate-methyl 23564-05-8|Thiophanate-methyl|[1,2-Phenylenebis(iminocarbonothioyl)]biscarbamic acid dimethyl ester|1,2-Bis(3-(methoxycarbonyl)-2-thioureido)benzene|1,2-Bis(methoxycarbonylthioureido)benzene|1,2-Bis[3-(methoxycarbonyl)-2-thioureido]benzene|1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene|245-740-7|Allophanic acid, 4,4'-o-phenylenebis[3-thio-, dimethyl ester|BIS(3-THIOALLOPHANATE), DIMETHYL-4,4- (O-PHENYLENE)-|BRN 0937942|Caligran|Carbamic acid, [1,2-phenylenebis(iminocarbonothioyl)]bis-, dimethyl ester|Carbamic acid, N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis-, C,C'-dimethyl ester|Caswell No. 375A|Cercobin M|Cercobin M 70|Cercobin methyl|Cleary's 3336|Cycosin|dimethyl 4,4'-(o-phenylene)bis(3-thioallophanate)|Dimethyl 4,4'-o-phenylenebis(3-thioallophanate)|dimethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate|dimethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]|EC No.: 245-740-7|EINECS 245-740-7|Enovit M|Enovit M 70|Enovit methyl|Enovit Super|Enovit-methyl|EPA Pesticide Chemical Code 102001|Methyl thiophanate||1135443-49-0|50814-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024338 https://doi.org/10.22427/NTP-DATA-DTXSID1024338
ARPathway2016 ARPathway2016_1022 Thiophanate-methyl 23564-05-8 DTXSID1024338 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC(=O)NC(=S)NC1=C(NC(=S)NC(=O)OC)C=CC=C1 Thiophanate-methyl 23564-05-8|Thiophanate-methyl|[1,2-Phenylenebis(iminocarbonothioyl)]biscarbamic acid dimethyl ester|1,2-Bis(3-(methoxycarbonyl)-2-thioureido)benzene|1,2-Bis(methoxycarbonylthioureido)benzene|1,2-Bis[3-(methoxycarbonyl)-2-thioureido]benzene|1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene|245-740-7|Allophanic acid, 4,4'-o-phenylenebis[3-thio-, dimethyl ester|BIS(3-THIOALLOPHANATE), DIMETHYL-4,4- (O-PHENYLENE)-|BRN 0937942|Caligran|Carbamic acid, [1,2-phenylenebis(iminocarbonothioyl)]bis-, dimethyl ester|Carbamic acid, N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis-, C,C'-dimethyl ester|Caswell No. 375A|Cercobin M|Cercobin M 70|Cercobin methyl|Cleary's 3336|Cycosin|dimethyl 4,4'-(o-phenylene)bis(3-thioallophanate)|Dimethyl 4,4'-o-phenylenebis(3-thioallophanate)|dimethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate|dimethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]|EC No.: 245-740-7|EINECS 245-740-7|Enovit M|Enovit M 70|Enovit methyl|Enovit Super|Enovit-methyl|EPA Pesticide Chemical Code 102001|Methyl thiophanate||1135443-49-0|50814-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024338 https://doi.org/10.22427/NTP-DATA-DTXSID1024338
ARPathway2016 ARPathway2016_1022 Thiophanate-methyl 23564-05-8 DTXSID1024338 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC(=O)NC(=S)NC1=C(NC(=S)NC(=O)OC)C=CC=C1 Thiophanate-methyl 23564-05-8|Thiophanate-methyl|[1,2-Phenylenebis(iminocarbonothioyl)]biscarbamic acid dimethyl ester|1,2-Bis(3-(methoxycarbonyl)-2-thioureido)benzene|1,2-Bis(methoxycarbonylthioureido)benzene|1,2-Bis[3-(methoxycarbonyl)-2-thioureido]benzene|1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene|245-740-7|Allophanic acid, 4,4'-o-phenylenebis[3-thio-, dimethyl ester|BIS(3-THIOALLOPHANATE), DIMETHYL-4,4- (O-PHENYLENE)-|BRN 0937942|Caligran|Carbamic acid, [1,2-phenylenebis(iminocarbonothioyl)]bis-, dimethyl ester|Carbamic acid, N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis-, C,C'-dimethyl ester|Caswell No. 375A|Cercobin M|Cercobin M 70|Cercobin methyl|Cleary's 3336|Cycosin|dimethyl 4,4'-(o-phenylene)bis(3-thioallophanate)|Dimethyl 4,4'-o-phenylenebis(3-thioallophanate)|dimethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate|dimethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]|EC No.: 245-740-7|EINECS 245-740-7|Enovit M|Enovit M 70|Enovit methyl|Enovit Super|Enovit-methyl|EPA Pesticide Chemical Code 102001|Methyl thiophanate||1135443-49-0|50814-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024338 https://doi.org/10.22427/NTP-DATA-DTXSID1024338
ERPathway2016 ERPathway2016_1387 Thiophanate-methyl 23564-05-8 DTXSID1024338 ER Pathway Model, Agonist Model Score 0 Unitless COC(=O)NC(=S)NC1=C(NC(=S)NC(=O)OC)C=CC=C1 Thiophanate-methyl 23564-05-8|Thiophanate-methyl|[1,2-Phenylenebis(iminocarbonothioyl)]biscarbamic acid dimethyl ester|1,2-Bis(3-(methoxycarbonyl)-2-thioureido)benzene|1,2-Bis(methoxycarbonylthioureido)benzene|1,2-Bis[3-(methoxycarbonyl)-2-thioureido]benzene|1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene|245-740-7|Allophanic acid, 4,4'-o-phenylenebis[3-thio-, dimethyl ester|BIS(3-THIOALLOPHANATE), DIMETHYL-4,4- (O-PHENYLENE)-|BRN 0937942|Caligran|Carbamic acid, [1,2-phenylenebis(iminocarbonothioyl)]bis-, dimethyl ester|Carbamic acid, N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis-, C,C'-dimethyl ester|Caswell No. 375A|Cercobin M|Cercobin M 70|Cercobin methyl|Cleary's 3336|Cycosin|dimethyl 4,4'-(o-phenylene)bis(3-thioallophanate)|Dimethyl 4,4'-o-phenylenebis(3-thioallophanate)|dimethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate|dimethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]|EC No.: 245-740-7|EINECS 245-740-7|Enovit M|Enovit M 70|Enovit methyl|Enovit Super|Enovit-methyl|EPA Pesticide Chemical Code 102001|Methyl thiophanate||1135443-49-0|50814-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024338 https://doi.org/10.22427/NTP-DATA-DTXSID1024338
ERPathway2016 ERPathway2016_1387 Thiophanate-methyl 23564-05-8 DTXSID1024338 ER Pathway Model, Antagonist Model Score 0 Unitless COC(=O)NC(=S)NC1=C(NC(=S)NC(=O)OC)C=CC=C1 Thiophanate-methyl 23564-05-8|Thiophanate-methyl|[1,2-Phenylenebis(iminocarbonothioyl)]biscarbamic acid dimethyl ester|1,2-Bis(3-(methoxycarbonyl)-2-thioureido)benzene|1,2-Bis(methoxycarbonylthioureido)benzene|1,2-Bis[3-(methoxycarbonyl)-2-thioureido]benzene|1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene|245-740-7|Allophanic acid, 4,4'-o-phenylenebis[3-thio-, dimethyl ester|BIS(3-THIOALLOPHANATE), DIMETHYL-4,4- (O-PHENYLENE)-|BRN 0937942|Caligran|Carbamic acid, [1,2-phenylenebis(iminocarbonothioyl)]bis-, dimethyl ester|Carbamic acid, N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis-, C,C'-dimethyl ester|Caswell No. 375A|Cercobin M|Cercobin M 70|Cercobin methyl|Cleary's 3336|Cycosin|dimethyl 4,4'-(o-phenylene)bis(3-thioallophanate)|Dimethyl 4,4'-o-phenylenebis(3-thioallophanate)|dimethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate|dimethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]|EC No.: 245-740-7|EINECS 245-740-7|Enovit M|Enovit M 70|Enovit methyl|Enovit Super|Enovit-methyl|EPA Pesticide Chemical Code 102001|Methyl thiophanate||1135443-49-0|50814-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024338 https://doi.org/10.22427/NTP-DATA-DTXSID1024338
ERPathway2016 ERPathway2016_1387 Thiophanate-methyl 23564-05-8 DTXSID1024338 ER Pathway Model, Agonist Call Inactive Unitless COC(=O)NC(=S)NC1=C(NC(=S)NC(=O)OC)C=CC=C1 Thiophanate-methyl 23564-05-8|Thiophanate-methyl|[1,2-Phenylenebis(iminocarbonothioyl)]biscarbamic acid dimethyl ester|1,2-Bis(3-(methoxycarbonyl)-2-thioureido)benzene|1,2-Bis(methoxycarbonylthioureido)benzene|1,2-Bis[3-(methoxycarbonyl)-2-thioureido]benzene|1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene|245-740-7|Allophanic acid, 4,4'-o-phenylenebis[3-thio-, dimethyl ester|BIS(3-THIOALLOPHANATE), DIMETHYL-4,4- (O-PHENYLENE)-|BRN 0937942|Caligran|Carbamic acid, [1,2-phenylenebis(iminocarbonothioyl)]bis-, dimethyl ester|Carbamic acid, N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis-, C,C'-dimethyl ester|Caswell No. 375A|Cercobin M|Cercobin M 70|Cercobin methyl|Cleary's 3336|Cycosin|dimethyl 4,4'-(o-phenylene)bis(3-thioallophanate)|Dimethyl 4,4'-o-phenylenebis(3-thioallophanate)|dimethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate|dimethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]|EC No.: 245-740-7|EINECS 245-740-7|Enovit M|Enovit M 70|Enovit methyl|Enovit Super|Enovit-methyl|EPA Pesticide Chemical Code 102001|Methyl thiophanate||1135443-49-0|50814-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024338 https://doi.org/10.22427/NTP-DATA-DTXSID1024338
ERPathway2016 ERPathway2016_1387 Thiophanate-methyl 23564-05-8 DTXSID1024338 ER Pathway Model, Antagonist Call Inactive Unitless COC(=O)NC(=S)NC1=C(NC(=S)NC(=O)OC)C=CC=C1 Thiophanate-methyl 23564-05-8|Thiophanate-methyl|[1,2-Phenylenebis(iminocarbonothioyl)]biscarbamic acid dimethyl ester|1,2-Bis(3-(methoxycarbonyl)-2-thioureido)benzene|1,2-Bis(methoxycarbonylthioureido)benzene|1,2-Bis[3-(methoxycarbonyl)-2-thioureido]benzene|1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene|245-740-7|Allophanic acid, 4,4'-o-phenylenebis[3-thio-, dimethyl ester|BIS(3-THIOALLOPHANATE), DIMETHYL-4,4- (O-PHENYLENE)-|BRN 0937942|Caligran|Carbamic acid, [1,2-phenylenebis(iminocarbonothioyl)]bis-, dimethyl ester|Carbamic acid, N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis-, C,C'-dimethyl ester|Caswell No. 375A|Cercobin M|Cercobin M 70|Cercobin methyl|Cleary's 3336|Cycosin|dimethyl 4,4'-(o-phenylene)bis(3-thioallophanate)|Dimethyl 4,4'-o-phenylenebis(3-thioallophanate)|dimethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate|dimethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]|EC No.: 245-740-7|EINECS 245-740-7|Enovit M|Enovit M 70|Enovit methyl|Enovit Super|Enovit-methyl|EPA Pesticide Chemical Code 102001|Methyl thiophanate||1135443-49-0|50814-12-5 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024338 https://doi.org/10.22427/NTP-DATA-DTXSID1024338
ARPathway2016 ARPathway2016_1413 Thiourea 62-56-6 DTXSID9021348 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless NC(N)=S Thiourea 62-56-6|Thiourea|2-Thiopseudourea|2-thiourea|aminothioamide|aminothiocarboxamide|beta-Thiopseudourea|carbonothioic diamide|Caswell No. 855|EINECS 200-543-5|EPA Pesticide Chemical Code 080201|Isothiourea|NSC 5033|Pseudothiourea|Pseudourea (NH2.C(OH):NH), thio-|Pseudourea, 2-thio-|RCRA waste number U219|Sulourea|Thiocarbamid|Thiocarbamide|thiocarbonic acid diamide|Thioharnstoff|Thiokarbamid|Thiomocovina|Thiouree|Thiuronium|tiourea|UNII-GYV9AM2QAG|Urea, 2-thio|Urea, thio-|USAF EK-497|b-Thiopseudourea|1032826-45-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021348 https://doi.org/10.22427/NTP-DATA-DTXSID9021348
ARPathway2016 ARPathway2016_1413 Thiourea 62-56-6 DTXSID9021348 0.0 AR Pathway Model, Agonist Model Score 0 Unitless NC(N)=S Thiourea 62-56-6|Thiourea|2-Thiopseudourea|2-thiourea|aminothioamide|aminothiocarboxamide|beta-Thiopseudourea|carbonothioic diamide|Caswell No. 855|EINECS 200-543-5|EPA Pesticide Chemical Code 080201|Isothiourea|NSC 5033|Pseudothiourea|Pseudourea (NH2.C(OH):NH), thio-|Pseudourea, 2-thio-|RCRA waste number U219|Sulourea|Thiocarbamid|Thiocarbamide|thiocarbonic acid diamide|Thioharnstoff|Thiokarbamid|Thiomocovina|Thiouree|Thiuronium|tiourea|UNII-GYV9AM2QAG|Urea, 2-thio|Urea, thio-|USAF EK-497|b-Thiopseudourea|1032826-45-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021348 https://doi.org/10.22427/NTP-DATA-DTXSID9021348
ARPathway2016 ARPathway2016_1413 Thiourea 62-56-6 DTXSID9021348 0.0 AR Pathway Model, Agonist Call Inactive Unitless NC(N)=S Thiourea 62-56-6|Thiourea|2-Thiopseudourea|2-thiourea|aminothioamide|aminothiocarboxamide|beta-Thiopseudourea|carbonothioic diamide|Caswell No. 855|EINECS 200-543-5|EPA Pesticide Chemical Code 080201|Isothiourea|NSC 5033|Pseudothiourea|Pseudourea (NH2.C(OH):NH), thio-|Pseudourea, 2-thio-|RCRA waste number U219|Sulourea|Thiocarbamid|Thiocarbamide|thiocarbonic acid diamide|Thioharnstoff|Thiokarbamid|Thiomocovina|Thiouree|Thiuronium|tiourea|UNII-GYV9AM2QAG|Urea, 2-thio|Urea, thio-|USAF EK-497|b-Thiopseudourea|1032826-45-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021348 https://doi.org/10.22427/NTP-DATA-DTXSID9021348
ARPathway2016 ARPathway2016_1413 Thiourea 62-56-6 DTXSID9021348 0.0 AR Pathway Model, Antagonist Call Inactive Unitless NC(N)=S Thiourea 62-56-6|Thiourea|2-Thiopseudourea|2-thiourea|aminothioamide|aminothiocarboxamide|beta-Thiopseudourea|carbonothioic diamide|Caswell No. 855|EINECS 200-543-5|EPA Pesticide Chemical Code 080201|Isothiourea|NSC 5033|Pseudothiourea|Pseudourea (NH2.C(OH):NH), thio-|Pseudourea, 2-thio-|RCRA waste number U219|Sulourea|Thiocarbamid|Thiocarbamide|thiocarbonic acid diamide|Thioharnstoff|Thiokarbamid|Thiomocovina|Thiouree|Thiuronium|tiourea|UNII-GYV9AM2QAG|Urea, 2-thio|Urea, thio-|USAF EK-497|b-Thiopseudourea|1032826-45-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021348 https://doi.org/10.22427/NTP-DATA-DTXSID9021348
ERPathway2016 ERPathway2016_1580 Thiourea 62-56-6 DTXSID9021348 ER Pathway Model, Agonist Model Score 0 Unitless NC(N)=S Thiourea 62-56-6|Thiourea|2-Thiopseudourea|2-thiourea|aminothioamide|aminothiocarboxamide|beta-Thiopseudourea|carbonothioic diamide|Caswell No. 855|EINECS 200-543-5|EPA Pesticide Chemical Code 080201|Isothiourea|NSC 5033|Pseudothiourea|Pseudourea (NH2.C(OH):NH), thio-|Pseudourea, 2-thio-|RCRA waste number U219|Sulourea|Thiocarbamid|Thiocarbamide|thiocarbonic acid diamide|Thioharnstoff|Thiokarbamid|Thiomocovina|Thiouree|Thiuronium|tiourea|UNII-GYV9AM2QAG|Urea, 2-thio|Urea, thio-|USAF EK-497|b-Thiopseudourea|1032826-45-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021348 https://doi.org/10.22427/NTP-DATA-DTXSID9021348
ERPathway2016 ERPathway2016_1580 Thiourea 62-56-6 DTXSID9021348 ER Pathway Model, Antagonist Model Score 0 Unitless NC(N)=S Thiourea 62-56-6|Thiourea|2-Thiopseudourea|2-thiourea|aminothioamide|aminothiocarboxamide|beta-Thiopseudourea|carbonothioic diamide|Caswell No. 855|EINECS 200-543-5|EPA Pesticide Chemical Code 080201|Isothiourea|NSC 5033|Pseudothiourea|Pseudourea (NH2.C(OH):NH), thio-|Pseudourea, 2-thio-|RCRA waste number U219|Sulourea|Thiocarbamid|Thiocarbamide|thiocarbonic acid diamide|Thioharnstoff|Thiokarbamid|Thiomocovina|Thiouree|Thiuronium|tiourea|UNII-GYV9AM2QAG|Urea, 2-thio|Urea, thio-|USAF EK-497|b-Thiopseudourea|1032826-45-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021348 https://doi.org/10.22427/NTP-DATA-DTXSID9021348
ERPathway2016 ERPathway2016_1580 Thiourea 62-56-6 DTXSID9021348 ER Pathway Model, Agonist Call Inactive Unitless NC(N)=S Thiourea 62-56-6|Thiourea|2-Thiopseudourea|2-thiourea|aminothioamide|aminothiocarboxamide|beta-Thiopseudourea|carbonothioic diamide|Caswell No. 855|EINECS 200-543-5|EPA Pesticide Chemical Code 080201|Isothiourea|NSC 5033|Pseudothiourea|Pseudourea (NH2.C(OH):NH), thio-|Pseudourea, 2-thio-|RCRA waste number U219|Sulourea|Thiocarbamid|Thiocarbamide|thiocarbonic acid diamide|Thioharnstoff|Thiokarbamid|Thiomocovina|Thiouree|Thiuronium|tiourea|UNII-GYV9AM2QAG|Urea, 2-thio|Urea, thio-|USAF EK-497|b-Thiopseudourea|1032826-45-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021348 https://doi.org/10.22427/NTP-DATA-DTXSID9021348
ERPathway2016 ERPathway2016_1580 Thiourea 62-56-6 DTXSID9021348 ER Pathway Model, Antagonist Call Inactive Unitless NC(N)=S Thiourea 62-56-6|Thiourea|2-Thiopseudourea|2-thiourea|aminothioamide|aminothiocarboxamide|beta-Thiopseudourea|carbonothioic diamide|Caswell No. 855|EINECS 200-543-5|EPA Pesticide Chemical Code 080201|Isothiourea|NSC 5033|Pseudothiourea|Pseudourea (NH2.C(OH):NH), thio-|Pseudourea, 2-thio-|RCRA waste number U219|Sulourea|Thiocarbamid|Thiocarbamide|thiocarbonic acid diamide|Thioharnstoff|Thiokarbamid|Thiomocovina|Thiouree|Thiuronium|tiourea|UNII-GYV9AM2QAG|Urea, 2-thio|Urea, thio-|USAF EK-497|b-Thiopseudourea|1032826-45-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021348 https://doi.org/10.22427/NTP-DATA-DTXSID9021348
ARPathway2016 ARPathway2016_1749 Thitrol 94-81-5 DTXSID4024193 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(OCCCC(O)=O)C=CC(Cl)=C1 Thitrol 94-81-5|Thitrol|(4-Chloro-o-tolyloxy)butyric acid|2-Methyl-4-chlorophenoxybutyric acid|4-((4-Chloro-o-tolyl)oxy)butyric acid|4-(2-Methyl-4-chlorophenoxy)butyric acid|4-(2-Methyl-4-chlorphenoxy)-buttersaeure|4-(4-Chlor-2-methylphenoxy)-buttersaeure|4-(4-Chloro-2-methylphenoxy)butyric acid|4-(4-chloro-o-tolyloxy)butyric acid|4-06-00-01996|BRN 2215202|Caswell No. 558|EINECS 202-365-3|EPA Pesticide Chemical Code 019201|gamma-(4-Chloro-2-methylphenoxy)butyric acid|gamma-MCPB|Kyselina 4-(4-chlor-2-methylfenoxy)maselna|MCBP|MCP-butyric|MCPB|NSC 102796|Trifolex|UNII-OA1Z4N1842 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024193
ARPathway2016 ARPathway2016_1749 Thitrol 94-81-5 DTXSID4024193 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(OCCCC(O)=O)C=CC(Cl)=C1 Thitrol 94-81-5|Thitrol|(4-Chloro-o-tolyloxy)butyric acid|2-Methyl-4-chlorophenoxybutyric acid|4-((4-Chloro-o-tolyl)oxy)butyric acid|4-(2-Methyl-4-chlorophenoxy)butyric acid|4-(2-Methyl-4-chlorphenoxy)-buttersaeure|4-(4-Chlor-2-methylphenoxy)-buttersaeure|4-(4-Chloro-2-methylphenoxy)butyric acid|4-(4-chloro-o-tolyloxy)butyric acid|4-06-00-01996|BRN 2215202|Caswell No. 558|EINECS 202-365-3|EPA Pesticide Chemical Code 019201|gamma-(4-Chloro-2-methylphenoxy)butyric acid|gamma-MCPB|Kyselina 4-(4-chlor-2-methylfenoxy)maselna|MCBP|MCP-butyric|MCPB|NSC 102796|Trifolex|UNII-OA1Z4N1842 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024193
ARPathway2016 ARPathway2016_1749 Thitrol 94-81-5 DTXSID4024193 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(OCCCC(O)=O)C=CC(Cl)=C1 Thitrol 94-81-5|Thitrol|(4-Chloro-o-tolyloxy)butyric acid|2-Methyl-4-chlorophenoxybutyric acid|4-((4-Chloro-o-tolyl)oxy)butyric acid|4-(2-Methyl-4-chlorophenoxy)butyric acid|4-(2-Methyl-4-chlorphenoxy)-buttersaeure|4-(4-Chlor-2-methylphenoxy)-buttersaeure|4-(4-Chloro-2-methylphenoxy)butyric acid|4-(4-chloro-o-tolyloxy)butyric acid|4-06-00-01996|BRN 2215202|Caswell No. 558|EINECS 202-365-3|EPA Pesticide Chemical Code 019201|gamma-(4-Chloro-2-methylphenoxy)butyric acid|gamma-MCPB|Kyselina 4-(4-chlor-2-methylfenoxy)maselna|MCBP|MCP-butyric|MCPB|NSC 102796|Trifolex|UNII-OA1Z4N1842 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024193
ARPathway2016 ARPathway2016_1749 Thitrol 94-81-5 DTXSID4024193 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(OCCCC(O)=O)C=CC(Cl)=C1 Thitrol 94-81-5|Thitrol|(4-Chloro-o-tolyloxy)butyric acid|2-Methyl-4-chlorophenoxybutyric acid|4-((4-Chloro-o-tolyl)oxy)butyric acid|4-(2-Methyl-4-chlorophenoxy)butyric acid|4-(2-Methyl-4-chlorphenoxy)-buttersaeure|4-(4-Chlor-2-methylphenoxy)-buttersaeure|4-(4-Chloro-2-methylphenoxy)butyric acid|4-(4-chloro-o-tolyloxy)butyric acid|4-06-00-01996|BRN 2215202|Caswell No. 558|EINECS 202-365-3|EPA Pesticide Chemical Code 019201|gamma-(4-Chloro-2-methylphenoxy)butyric acid|gamma-MCPB|Kyselina 4-(4-chlor-2-methylfenoxy)maselna|MCBP|MCP-butyric|MCPB|NSC 102796|Trifolex|UNII-OA1Z4N1842 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024193
ERPathway2016 ERPathway2016_1758 Thitrol 94-81-5 DTXSID4024193 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(OCCCC(O)=O)C=CC(Cl)=C1 Thitrol 94-81-5|Thitrol|(4-Chloro-o-tolyloxy)butyric acid|2-Methyl-4-chlorophenoxybutyric acid|4-((4-Chloro-o-tolyl)oxy)butyric acid|4-(2-Methyl-4-chlorophenoxy)butyric acid|4-(2-Methyl-4-chlorphenoxy)-buttersaeure|4-(4-Chlor-2-methylphenoxy)-buttersaeure|4-(4-Chloro-2-methylphenoxy)butyric acid|4-(4-chloro-o-tolyloxy)butyric acid|4-06-00-01996|BRN 2215202|Caswell No. 558|EINECS 202-365-3|EPA Pesticide Chemical Code 019201|gamma-(4-Chloro-2-methylphenoxy)butyric acid|gamma-MCPB|Kyselina 4-(4-chlor-2-methylfenoxy)maselna|MCBP|MCP-butyric|MCPB|NSC 102796|Trifolex|UNII-OA1Z4N1842 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024193
ERPathway2016 ERPathway2016_1758 Thitrol 94-81-5 DTXSID4024193 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(OCCCC(O)=O)C=CC(Cl)=C1 Thitrol 94-81-5|Thitrol|(4-Chloro-o-tolyloxy)butyric acid|2-Methyl-4-chlorophenoxybutyric acid|4-((4-Chloro-o-tolyl)oxy)butyric acid|4-(2-Methyl-4-chlorophenoxy)butyric acid|4-(2-Methyl-4-chlorphenoxy)-buttersaeure|4-(4-Chlor-2-methylphenoxy)-buttersaeure|4-(4-Chloro-2-methylphenoxy)butyric acid|4-(4-chloro-o-tolyloxy)butyric acid|4-06-00-01996|BRN 2215202|Caswell No. 558|EINECS 202-365-3|EPA Pesticide Chemical Code 019201|gamma-(4-Chloro-2-methylphenoxy)butyric acid|gamma-MCPB|Kyselina 4-(4-chlor-2-methylfenoxy)maselna|MCBP|MCP-butyric|MCPB|NSC 102796|Trifolex|UNII-OA1Z4N1842 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024193
ERPathway2016 ERPathway2016_1758 Thitrol 94-81-5 DTXSID4024193 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(OCCCC(O)=O)C=CC(Cl)=C1 Thitrol 94-81-5|Thitrol|(4-Chloro-o-tolyloxy)butyric acid|2-Methyl-4-chlorophenoxybutyric acid|4-((4-Chloro-o-tolyl)oxy)butyric acid|4-(2-Methyl-4-chlorophenoxy)butyric acid|4-(2-Methyl-4-chlorphenoxy)-buttersaeure|4-(4-Chlor-2-methylphenoxy)-buttersaeure|4-(4-Chloro-2-methylphenoxy)butyric acid|4-(4-chloro-o-tolyloxy)butyric acid|4-06-00-01996|BRN 2215202|Caswell No. 558|EINECS 202-365-3|EPA Pesticide Chemical Code 019201|gamma-(4-Chloro-2-methylphenoxy)butyric acid|gamma-MCPB|Kyselina 4-(4-chlor-2-methylfenoxy)maselna|MCBP|MCP-butyric|MCPB|NSC 102796|Trifolex|UNII-OA1Z4N1842 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024193
ERPathway2016 ERPathway2016_1758 Thitrol 94-81-5 DTXSID4024193 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(OCCCC(O)=O)C=CC(Cl)=C1 Thitrol 94-81-5|Thitrol|(4-Chloro-o-tolyloxy)butyric acid|2-Methyl-4-chlorophenoxybutyric acid|4-((4-Chloro-o-tolyl)oxy)butyric acid|4-(2-Methyl-4-chlorophenoxy)butyric acid|4-(2-Methyl-4-chlorphenoxy)-buttersaeure|4-(4-Chlor-2-methylphenoxy)-buttersaeure|4-(4-Chloro-2-methylphenoxy)butyric acid|4-(4-chloro-o-tolyloxy)butyric acid|4-06-00-01996|BRN 2215202|Caswell No. 558|EINECS 202-365-3|EPA Pesticide Chemical Code 019201|gamma-(4-Chloro-2-methylphenoxy)butyric acid|gamma-MCPB|Kyselina 4-(4-chlor-2-methylfenoxy)maselna|MCBP|MCP-butyric|MCPB|NSC 102796|Trifolex|UNII-OA1Z4N1842 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024193
ARPathway2016 ARPathway2016_1690 Thymol 89-83-8 DTXSID6034972 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC=C(C)C=C1O Thymol 89-83-8|Thymol|1-hydroxy-5-methyl-2-isopropylbenzene|1-Methyl-3-hydroxy-4-isopropylbenzene|2-Hydroxy-1-isopropyl-4-methylbenzene|2-ISOPROPYL-5-METHYLPHENOL|3-Hydroxy-1-methyl-4-isopropylbenzene|3-Hydroxy-p-cymene|3-Methyl-6-isopropylphenol|3-p-cymenol|5-Methyl-2-(1-methylethyl)phenol|5-Methyl-2-isopropyl-1-phenol|5-Methyl-2-isopropylphenol|6-Isopropyl-3-methylphenol|6-Isopropyl-m-cresol|6-Isopropyl-p-cresol|Apiguard|Caswell No. 856A|Cymophenol, alpha-|EINECS 201-944-8|EPA Pesticide Chemical Code 080402|FEMA No. 3066|FEMA Number 3066|Isopropyl cresol|Isopropyl-m-cresol|m-Cresol, 6-isopropyl-|m-Thymol|NSC 11215|NSC 47821|NSC 49142|p-Cymen-3-ol|p-Cymene, 3-hydroxy-|Phenol, 2-isopropyl-5-methyl-|Phenol, 5-methyl-2-(1-methylethyl)-|Thymate|Thyme camphor|Thymic acid|Thymol Chrystals|Thymol crystal puriss|UNII-3J50XA376E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034972
ARPathway2016 ARPathway2016_1690 Thymol 89-83-8 DTXSID6034972 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)C1=CC=C(C)C=C1O Thymol 89-83-8|Thymol|1-hydroxy-5-methyl-2-isopropylbenzene|1-Methyl-3-hydroxy-4-isopropylbenzene|2-Hydroxy-1-isopropyl-4-methylbenzene|2-ISOPROPYL-5-METHYLPHENOL|3-Hydroxy-1-methyl-4-isopropylbenzene|3-Hydroxy-p-cymene|3-Methyl-6-isopropylphenol|3-p-cymenol|5-Methyl-2-(1-methylethyl)phenol|5-Methyl-2-isopropyl-1-phenol|5-Methyl-2-isopropylphenol|6-Isopropyl-3-methylphenol|6-Isopropyl-m-cresol|6-Isopropyl-p-cresol|Apiguard|Caswell No. 856A|Cymophenol, alpha-|EINECS 201-944-8|EPA Pesticide Chemical Code 080402|FEMA No. 3066|FEMA Number 3066|Isopropyl cresol|Isopropyl-m-cresol|m-Cresol, 6-isopropyl-|m-Thymol|NSC 11215|NSC 47821|NSC 49142|p-Cymen-3-ol|p-Cymene, 3-hydroxy-|Phenol, 2-isopropyl-5-methyl-|Phenol, 5-methyl-2-(1-methylethyl)-|Thymate|Thyme camphor|Thymic acid|Thymol Chrystals|Thymol crystal puriss|UNII-3J50XA376E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034972
ARPathway2016 ARPathway2016_1690 Thymol 89-83-8 DTXSID6034972 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC=C(C)C=C1O Thymol 89-83-8|Thymol|1-hydroxy-5-methyl-2-isopropylbenzene|1-Methyl-3-hydroxy-4-isopropylbenzene|2-Hydroxy-1-isopropyl-4-methylbenzene|2-ISOPROPYL-5-METHYLPHENOL|3-Hydroxy-1-methyl-4-isopropylbenzene|3-Hydroxy-p-cymene|3-Methyl-6-isopropylphenol|3-p-cymenol|5-Methyl-2-(1-methylethyl)phenol|5-Methyl-2-isopropyl-1-phenol|5-Methyl-2-isopropylphenol|6-Isopropyl-3-methylphenol|6-Isopropyl-m-cresol|6-Isopropyl-p-cresol|Apiguard|Caswell No. 856A|Cymophenol, alpha-|EINECS 201-944-8|EPA Pesticide Chemical Code 080402|FEMA No. 3066|FEMA Number 3066|Isopropyl cresol|Isopropyl-m-cresol|m-Cresol, 6-isopropyl-|m-Thymol|NSC 11215|NSC 47821|NSC 49142|p-Cymen-3-ol|p-Cymene, 3-hydroxy-|Phenol, 2-isopropyl-5-methyl-|Phenol, 5-methyl-2-(1-methylethyl)-|Thymate|Thyme camphor|Thymic acid|Thymol Chrystals|Thymol crystal puriss|UNII-3J50XA376E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034972
ARPathway2016 ARPathway2016_1690 Thymol 89-83-8 DTXSID6034972 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)C1=CC=C(C)C=C1O Thymol 89-83-8|Thymol|1-hydroxy-5-methyl-2-isopropylbenzene|1-Methyl-3-hydroxy-4-isopropylbenzene|2-Hydroxy-1-isopropyl-4-methylbenzene|2-ISOPROPYL-5-METHYLPHENOL|3-Hydroxy-1-methyl-4-isopropylbenzene|3-Hydroxy-p-cymene|3-Methyl-6-isopropylphenol|3-p-cymenol|5-Methyl-2-(1-methylethyl)phenol|5-Methyl-2-isopropyl-1-phenol|5-Methyl-2-isopropylphenol|6-Isopropyl-3-methylphenol|6-Isopropyl-m-cresol|6-Isopropyl-p-cresol|Apiguard|Caswell No. 856A|Cymophenol, alpha-|EINECS 201-944-8|EPA Pesticide Chemical Code 080402|FEMA No. 3066|FEMA Number 3066|Isopropyl cresol|Isopropyl-m-cresol|m-Cresol, 6-isopropyl-|m-Thymol|NSC 11215|NSC 47821|NSC 49142|p-Cymen-3-ol|p-Cymene, 3-hydroxy-|Phenol, 2-isopropyl-5-methyl-|Phenol, 5-methyl-2-(1-methylethyl)-|Thymate|Thyme camphor|Thymic acid|Thymol Chrystals|Thymol crystal puriss|UNII-3J50XA376E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034972
ERPathway2016 ERPathway2016_448 Thymol 89-83-8 DTXSID6034972 ER Pathway Model, Antagonist AC50 34.8793541035235 uM CC(C)C1=CC=C(C)C=C1O Thymol 89-83-8|Thymol|1-hydroxy-5-methyl-2-isopropylbenzene|1-Methyl-3-hydroxy-4-isopropylbenzene|2-Hydroxy-1-isopropyl-4-methylbenzene|2-ISOPROPYL-5-METHYLPHENOL|3-Hydroxy-1-methyl-4-isopropylbenzene|3-Hydroxy-p-cymene|3-Methyl-6-isopropylphenol|3-p-cymenol|5-Methyl-2-(1-methylethyl)phenol|5-Methyl-2-isopropyl-1-phenol|5-Methyl-2-isopropylphenol|6-Isopropyl-3-methylphenol|6-Isopropyl-m-cresol|6-Isopropyl-p-cresol|Apiguard|Caswell No. 856A|Cymophenol, alpha-|EINECS 201-944-8|EPA Pesticide Chemical Code 080402|FEMA No. 3066|FEMA Number 3066|Isopropyl cresol|Isopropyl-m-cresol|m-Cresol, 6-isopropyl-|m-Thymol|NSC 11215|NSC 47821|NSC 49142|p-Cymen-3-ol|p-Cymene, 3-hydroxy-|Phenol, 2-isopropyl-5-methyl-|Phenol, 5-methyl-2-(1-methylethyl)-|Thymate|Thyme camphor|Thymic acid|Thymol Chrystals|Thymol crystal puriss|UNII-3J50XA376E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034972
ERPathway2016 ERPathway2016_448 Thymol 89-83-8 DTXSID6034972 ER Pathway Model, Antagonist ACC 32.4473838912271 uM CC(C)C1=CC=C(C)C=C1O Thymol 89-83-8|Thymol|1-hydroxy-5-methyl-2-isopropylbenzene|1-Methyl-3-hydroxy-4-isopropylbenzene|2-Hydroxy-1-isopropyl-4-methylbenzene|2-ISOPROPYL-5-METHYLPHENOL|3-Hydroxy-1-methyl-4-isopropylbenzene|3-Hydroxy-p-cymene|3-Methyl-6-isopropylphenol|3-p-cymenol|5-Methyl-2-(1-methylethyl)phenol|5-Methyl-2-isopropyl-1-phenol|5-Methyl-2-isopropylphenol|6-Isopropyl-3-methylphenol|6-Isopropyl-m-cresol|6-Isopropyl-p-cresol|Apiguard|Caswell No. 856A|Cymophenol, alpha-|EINECS 201-944-8|EPA Pesticide Chemical Code 080402|FEMA No. 3066|FEMA Number 3066|Isopropyl cresol|Isopropyl-m-cresol|m-Cresol, 6-isopropyl-|m-Thymol|NSC 11215|NSC 47821|NSC 49142|p-Cymen-3-ol|p-Cymene, 3-hydroxy-|Phenol, 2-isopropyl-5-methyl-|Phenol, 5-methyl-2-(1-methylethyl)-|Thymate|Thyme camphor|Thymic acid|Thymol Chrystals|Thymol crystal puriss|UNII-3J50XA376E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034972
ERPathway2016 ERPathway2016_448 Thymol 89-83-8 DTXSID6034972 ER Pathway Model, Agonist Model Score 0.00465 Unitless CC(C)C1=CC=C(C)C=C1O Thymol 89-83-8|Thymol|1-hydroxy-5-methyl-2-isopropylbenzene|1-Methyl-3-hydroxy-4-isopropylbenzene|2-Hydroxy-1-isopropyl-4-methylbenzene|2-ISOPROPYL-5-METHYLPHENOL|3-Hydroxy-1-methyl-4-isopropylbenzene|3-Hydroxy-p-cymene|3-Methyl-6-isopropylphenol|3-p-cymenol|5-Methyl-2-(1-methylethyl)phenol|5-Methyl-2-isopropyl-1-phenol|5-Methyl-2-isopropylphenol|6-Isopropyl-3-methylphenol|6-Isopropyl-m-cresol|6-Isopropyl-p-cresol|Apiguard|Caswell No. 856A|Cymophenol, alpha-|EINECS 201-944-8|EPA Pesticide Chemical Code 080402|FEMA No. 3066|FEMA Number 3066|Isopropyl cresol|Isopropyl-m-cresol|m-Cresol, 6-isopropyl-|m-Thymol|NSC 11215|NSC 47821|NSC 49142|p-Cymen-3-ol|p-Cymene, 3-hydroxy-|Phenol, 2-isopropyl-5-methyl-|Phenol, 5-methyl-2-(1-methylethyl)-|Thymate|Thyme camphor|Thymic acid|Thymol Chrystals|Thymol crystal puriss|UNII-3J50XA376E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034972
ERPathway2016 ERPathway2016_448 Thymol 89-83-8 DTXSID6034972 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)C1=CC=C(C)C=C1O Thymol 89-83-8|Thymol|1-hydroxy-5-methyl-2-isopropylbenzene|1-Methyl-3-hydroxy-4-isopropylbenzene|2-Hydroxy-1-isopropyl-4-methylbenzene|2-ISOPROPYL-5-METHYLPHENOL|3-Hydroxy-1-methyl-4-isopropylbenzene|3-Hydroxy-p-cymene|3-Methyl-6-isopropylphenol|3-p-cymenol|5-Methyl-2-(1-methylethyl)phenol|5-Methyl-2-isopropyl-1-phenol|5-Methyl-2-isopropylphenol|6-Isopropyl-3-methylphenol|6-Isopropyl-m-cresol|6-Isopropyl-p-cresol|Apiguard|Caswell No. 856A|Cymophenol, alpha-|EINECS 201-944-8|EPA Pesticide Chemical Code 080402|FEMA No. 3066|FEMA Number 3066|Isopropyl cresol|Isopropyl-m-cresol|m-Cresol, 6-isopropyl-|m-Thymol|NSC 11215|NSC 47821|NSC 49142|p-Cymen-3-ol|p-Cymene, 3-hydroxy-|Phenol, 2-isopropyl-5-methyl-|Phenol, 5-methyl-2-(1-methylethyl)-|Thymate|Thyme camphor|Thymic acid|Thymol Chrystals|Thymol crystal puriss|UNII-3J50XA376E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034972
ERPathway2016 ERPathway2016_448 Thymol 89-83-8 DTXSID6034972 ER Pathway Model, Agonist Call Inactive Unitless CC(C)C1=CC=C(C)C=C1O Thymol 89-83-8|Thymol|1-hydroxy-5-methyl-2-isopropylbenzene|1-Methyl-3-hydroxy-4-isopropylbenzene|2-Hydroxy-1-isopropyl-4-methylbenzene|2-ISOPROPYL-5-METHYLPHENOL|3-Hydroxy-1-methyl-4-isopropylbenzene|3-Hydroxy-p-cymene|3-Methyl-6-isopropylphenol|3-p-cymenol|5-Methyl-2-(1-methylethyl)phenol|5-Methyl-2-isopropyl-1-phenol|5-Methyl-2-isopropylphenol|6-Isopropyl-3-methylphenol|6-Isopropyl-m-cresol|6-Isopropyl-p-cresol|Apiguard|Caswell No. 856A|Cymophenol, alpha-|EINECS 201-944-8|EPA Pesticide Chemical Code 080402|FEMA No. 3066|FEMA Number 3066|Isopropyl cresol|Isopropyl-m-cresol|m-Cresol, 6-isopropyl-|m-Thymol|NSC 11215|NSC 47821|NSC 49142|p-Cymen-3-ol|p-Cymene, 3-hydroxy-|Phenol, 2-isopropyl-5-methyl-|Phenol, 5-methyl-2-(1-methylethyl)-|Thymate|Thyme camphor|Thymic acid|Thymol Chrystals|Thymol crystal puriss|UNII-3J50XA376E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034972
ERPathway2016 ERPathway2016_448 Thymol 89-83-8 DTXSID6034972 ER Pathway Model, Antagonist Call Active Unitless CC(C)C1=CC=C(C)C=C1O Thymol 89-83-8|Thymol|1-hydroxy-5-methyl-2-isopropylbenzene|1-Methyl-3-hydroxy-4-isopropylbenzene|2-Hydroxy-1-isopropyl-4-methylbenzene|2-ISOPROPYL-5-METHYLPHENOL|3-Hydroxy-1-methyl-4-isopropylbenzene|3-Hydroxy-p-cymene|3-Methyl-6-isopropylphenol|3-p-cymenol|5-Methyl-2-(1-methylethyl)phenol|5-Methyl-2-isopropyl-1-phenol|5-Methyl-2-isopropylphenol|6-Isopropyl-3-methylphenol|6-Isopropyl-m-cresol|6-Isopropyl-p-cresol|Apiguard|Caswell No. 856A|Cymophenol, alpha-|EINECS 201-944-8|EPA Pesticide Chemical Code 080402|FEMA No. 3066|FEMA Number 3066|Isopropyl cresol|Isopropyl-m-cresol|m-Cresol, 6-isopropyl-|m-Thymol|NSC 11215|NSC 47821|NSC 49142|p-Cymen-3-ol|p-Cymene, 3-hydroxy-|Phenol, 2-isopropyl-5-methyl-|Phenol, 5-methyl-2-(1-methylethyl)-|Thymate|Thyme camphor|Thymic acid|Thymol Chrystals|Thymol crystal puriss|UNII-3J50XA376E https://comptox.epa.gov/dashboard/chemical/details/DTXSID6034972
ARPathway2016 ARPathway2016_195 Tiratricol 51-24-1 DTXSID2045232 1.0 Antagonist AR Pathway Model, Agonist AC50 7.21797641014754 uM OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1 Tiratricol 51-24-1|Tiratricol|3,3,5-Triiodothyroacetic acid|3',3,5-Triiodothyroacetic acid|EINECS 200-086-1|Tatrois|Tiratricolum|Triiodothyroacetic acid|UNII-29OQ9EU4R1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2045232
ARPathway2016 ARPathway2016_195 Tiratricol 51-24-1 DTXSID2045232 1.0 Antagonist AR Pathway Model, Agonist ACC 8.62622990506929 uM OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1 Tiratricol 51-24-1|Tiratricol|3,3,5-Triiodothyroacetic acid|3',3,5-Triiodothyroacetic acid|EINECS 200-086-1|Tatrois|Tiratricolum|Triiodothyroacetic acid|UNII-29OQ9EU4R1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2045232
ARPathway2016 ARPathway2016_195 Tiratricol 51-24-1 DTXSID2045232 1.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0549 Unitless OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1 Tiratricol 51-24-1|Tiratricol|3,3,5-Triiodothyroacetic acid|3',3,5-Triiodothyroacetic acid|EINECS 200-086-1|Tatrois|Tiratricolum|Triiodothyroacetic acid|UNII-29OQ9EU4R1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2045232
ARPathway2016 ARPathway2016_195 Tiratricol 51-24-1 DTXSID2045232 1.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1 Tiratricol 51-24-1|Tiratricol|3,3,5-Triiodothyroacetic acid|3',3,5-Triiodothyroacetic acid|EINECS 200-086-1|Tatrois|Tiratricolum|Triiodothyroacetic acid|UNII-29OQ9EU4R1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2045232
ARPathway2016 ARPathway2016_195 Tiratricol 51-24-1 DTXSID2045232 1.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1 Tiratricol 51-24-1|Tiratricol|3,3,5-Triiodothyroacetic acid|3',3,5-Triiodothyroacetic acid|EINECS 200-086-1|Tatrois|Tiratricolum|Triiodothyroacetic acid|UNII-29OQ9EU4R1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2045232
ARPathway2016 ARPathway2016_195 Tiratricol 51-24-1 DTXSID2045232 1.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1 Tiratricol 51-24-1|Tiratricol|3,3,5-Triiodothyroacetic acid|3',3,5-Triiodothyroacetic acid|EINECS 200-086-1|Tatrois|Tiratricolum|Triiodothyroacetic acid|UNII-29OQ9EU4R1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2045232
ERPathway2016 ERPathway2016_204 Tiratricol 51-24-1 DTXSID2045232 Agonist ER Pathway Model, Antagonist AC50 15.303428701953 uM OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1 Tiratricol 51-24-1|Tiratricol|3,3,5-Triiodothyroacetic acid|3',3,5-Triiodothyroacetic acid|EINECS 200-086-1|Tatrois|Tiratricolum|Triiodothyroacetic acid|UNII-29OQ9EU4R1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2045232
ERPathway2016 ERPathway2016_204 Tiratricol 51-24-1 DTXSID2045232 Agonist ER Pathway Model, Antagonist ACC 10.7788273519415 uM OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1 Tiratricol 51-24-1|Tiratricol|3,3,5-Triiodothyroacetic acid|3',3,5-Triiodothyroacetic acid|EINECS 200-086-1|Tatrois|Tiratricolum|Triiodothyroacetic acid|UNII-29OQ9EU4R1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2045232
ERPathway2016 ERPathway2016_204 Tiratricol 51-24-1 DTXSID2045232 Agonist ER Pathway Model, Agonist Model Score 0.179 Unitless OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1 Tiratricol 51-24-1|Tiratricol|3,3,5-Triiodothyroacetic acid|3',3,5-Triiodothyroacetic acid|EINECS 200-086-1|Tatrois|Tiratricolum|Triiodothyroacetic acid|UNII-29OQ9EU4R1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2045232
ERPathway2016 ERPathway2016_204 Tiratricol 51-24-1 DTXSID2045232 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1 Tiratricol 51-24-1|Tiratricol|3,3,5-Triiodothyroacetic acid|3',3,5-Triiodothyroacetic acid|EINECS 200-086-1|Tatrois|Tiratricolum|Triiodothyroacetic acid|UNII-29OQ9EU4R1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2045232
ERPathway2016 ERPathway2016_204 Tiratricol 51-24-1 DTXSID2045232 Agonist ER Pathway Model, Agonist Call Inactive Unitless OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1 Tiratricol 51-24-1|Tiratricol|3,3,5-Triiodothyroacetic acid|3',3,5-Triiodothyroacetic acid|EINECS 200-086-1|Tatrois|Tiratricolum|Triiodothyroacetic acid|UNII-29OQ9EU4R1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2045232
ERPathway2016 ERPathway2016_204 Tiratricol 51-24-1 DTXSID2045232 Agonist ER Pathway Model, Antagonist Call Active Unitless OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1 Tiratricol 51-24-1|Tiratricol|3,3,5-Triiodothyroacetic acid|3',3,5-Triiodothyroacetic acid|EINECS 200-086-1|Tatrois|Tiratricolum|Triiodothyroacetic acid|UNII-29OQ9EU4R1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2045232
ARPathway2016 ARPathway2016_627 Tolazamide 1156-19-0 DTXSID3021358 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1 Tolazamide 1156-19-0|Tolazamide|1-(4-Methylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea|1-(Hexahydro-1-azepinyl)-3-p-tolylsulfonylurea|1-(Hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)urea|4-(p-tolylsulfonyl)-1,1-hexamethylenesemicarbazide|5-20-04-00062|Benzenesulfonamide, N-(((hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methyl-|Benzenesulfonamide, N-[[(hexahydro-1H-azepin-1-yl)amino]carbonyl]-4-methyl-|BENZENESULFONAMIDE, N-[[(HEXAHYDRO-1H-AZEPIN-1YL)AMINO]-CARBONYL]-4-METHYL-|BRN 1323565|CCRIS 591|Diabewas|EINECS 214-588-3|N-(((Hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methylbenzenesulfonamide|N-(p-Toluenesulfonyl)-N'-hexamethyleniminourea|N-{[(hexahydro-1H-azepin-1-yl)-amino]carbonyl}-4-methylbenzenesulfonamide|NCI-C03327|Norglycin|NSC 70762|NSC-70762|Tolanase|Tolazamid|tolazamida|Tolazamidum|Tolazolamide|Tolinase|U 17835|U-17835|UNII-9LT1BRO48Q|Urea, 1-(hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)-|Urea, 1-(hexahydroazepin-1-yl)-3-p-tolylsulfonyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021358 https://doi.org/10.22427/NTP-DATA-DTXSID3021358
ARPathway2016 ARPathway2016_627 Tolazamide 1156-19-0 DTXSID3021358 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1 Tolazamide 1156-19-0|Tolazamide|1-(4-Methylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea|1-(Hexahydro-1-azepinyl)-3-p-tolylsulfonylurea|1-(Hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)urea|4-(p-tolylsulfonyl)-1,1-hexamethylenesemicarbazide|5-20-04-00062|Benzenesulfonamide, N-(((hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methyl-|Benzenesulfonamide, N-[[(hexahydro-1H-azepin-1-yl)amino]carbonyl]-4-methyl-|BENZENESULFONAMIDE, N-[[(HEXAHYDRO-1H-AZEPIN-1YL)AMINO]-CARBONYL]-4-METHYL-|BRN 1323565|CCRIS 591|Diabewas|EINECS 214-588-3|N-(((Hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methylbenzenesulfonamide|N-(p-Toluenesulfonyl)-N'-hexamethyleniminourea|N-{[(hexahydro-1H-azepin-1-yl)-amino]carbonyl}-4-methylbenzenesulfonamide|NCI-C03327|Norglycin|NSC 70762|NSC-70762|Tolanase|Tolazamid|tolazamida|Tolazamidum|Tolazolamide|Tolinase|U 17835|U-17835|UNII-9LT1BRO48Q|Urea, 1-(hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)-|Urea, 1-(hexahydroazepin-1-yl)-3-p-tolylsulfonyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021358 https://doi.org/10.22427/NTP-DATA-DTXSID3021358
ARPathway2016 ARPathway2016_627 Tolazamide 1156-19-0 DTXSID3021358 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1 Tolazamide 1156-19-0|Tolazamide|1-(4-Methylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea|1-(Hexahydro-1-azepinyl)-3-p-tolylsulfonylurea|1-(Hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)urea|4-(p-tolylsulfonyl)-1,1-hexamethylenesemicarbazide|5-20-04-00062|Benzenesulfonamide, N-(((hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methyl-|Benzenesulfonamide, N-[[(hexahydro-1H-azepin-1-yl)amino]carbonyl]-4-methyl-|BENZENESULFONAMIDE, N-[[(HEXAHYDRO-1H-AZEPIN-1YL)AMINO]-CARBONYL]-4-METHYL-|BRN 1323565|CCRIS 591|Diabewas|EINECS 214-588-3|N-(((Hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methylbenzenesulfonamide|N-(p-Toluenesulfonyl)-N'-hexamethyleniminourea|N-{[(hexahydro-1H-azepin-1-yl)-amino]carbonyl}-4-methylbenzenesulfonamide|NCI-C03327|Norglycin|NSC 70762|NSC-70762|Tolanase|Tolazamid|tolazamida|Tolazamidum|Tolazolamide|Tolinase|U 17835|U-17835|UNII-9LT1BRO48Q|Urea, 1-(hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)-|Urea, 1-(hexahydroazepin-1-yl)-3-p-tolylsulfonyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021358 https://doi.org/10.22427/NTP-DATA-DTXSID3021358
ARPathway2016 ARPathway2016_627 Tolazamide 1156-19-0 DTXSID3021358 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1 Tolazamide 1156-19-0|Tolazamide|1-(4-Methylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea|1-(Hexahydro-1-azepinyl)-3-p-tolylsulfonylurea|1-(Hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)urea|4-(p-tolylsulfonyl)-1,1-hexamethylenesemicarbazide|5-20-04-00062|Benzenesulfonamide, N-(((hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methyl-|Benzenesulfonamide, N-[[(hexahydro-1H-azepin-1-yl)amino]carbonyl]-4-methyl-|BENZENESULFONAMIDE, N-[[(HEXAHYDRO-1H-AZEPIN-1YL)AMINO]-CARBONYL]-4-METHYL-|BRN 1323565|CCRIS 591|Diabewas|EINECS 214-588-3|N-(((Hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methylbenzenesulfonamide|N-(p-Toluenesulfonyl)-N'-hexamethyleniminourea|N-{[(hexahydro-1H-azepin-1-yl)-amino]carbonyl}-4-methylbenzenesulfonamide|NCI-C03327|Norglycin|NSC 70762|NSC-70762|Tolanase|Tolazamid|tolazamida|Tolazamidum|Tolazolamide|Tolinase|U 17835|U-17835|UNII-9LT1BRO48Q|Urea, 1-(hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)-|Urea, 1-(hexahydroazepin-1-yl)-3-p-tolylsulfonyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021358 https://doi.org/10.22427/NTP-DATA-DTXSID3021358
ERPathway2016 ERPathway2016_542 Tolazamide 1156-19-0 DTXSID3021358 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1 Tolazamide 1156-19-0|Tolazamide|1-(4-Methylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea|1-(Hexahydro-1-azepinyl)-3-p-tolylsulfonylurea|1-(Hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)urea|4-(p-tolylsulfonyl)-1,1-hexamethylenesemicarbazide|5-20-04-00062|Benzenesulfonamide, N-(((hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methyl-|Benzenesulfonamide, N-[[(hexahydro-1H-azepin-1-yl)amino]carbonyl]-4-methyl-|BENZENESULFONAMIDE, N-[[(HEXAHYDRO-1H-AZEPIN-1YL)AMINO]-CARBONYL]-4-METHYL-|BRN 1323565|CCRIS 591|Diabewas|EINECS 214-588-3|N-(((Hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methylbenzenesulfonamide|N-(p-Toluenesulfonyl)-N'-hexamethyleniminourea|N-{[(hexahydro-1H-azepin-1-yl)-amino]carbonyl}-4-methylbenzenesulfonamide|NCI-C03327|Norglycin|NSC 70762|NSC-70762|Tolanase|Tolazamid|tolazamida|Tolazamidum|Tolazolamide|Tolinase|U 17835|U-17835|UNII-9LT1BRO48Q|Urea, 1-(hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)-|Urea, 1-(hexahydroazepin-1-yl)-3-p-tolylsulfonyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021358 https://doi.org/10.22427/NTP-DATA-DTXSID3021358
ERPathway2016 ERPathway2016_542 Tolazamide 1156-19-0 DTXSID3021358 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1 Tolazamide 1156-19-0|Tolazamide|1-(4-Methylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea|1-(Hexahydro-1-azepinyl)-3-p-tolylsulfonylurea|1-(Hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)urea|4-(p-tolylsulfonyl)-1,1-hexamethylenesemicarbazide|5-20-04-00062|Benzenesulfonamide, N-(((hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methyl-|Benzenesulfonamide, N-[[(hexahydro-1H-azepin-1-yl)amino]carbonyl]-4-methyl-|BENZENESULFONAMIDE, N-[[(HEXAHYDRO-1H-AZEPIN-1YL)AMINO]-CARBONYL]-4-METHYL-|BRN 1323565|CCRIS 591|Diabewas|EINECS 214-588-3|N-(((Hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methylbenzenesulfonamide|N-(p-Toluenesulfonyl)-N'-hexamethyleniminourea|N-{[(hexahydro-1H-azepin-1-yl)-amino]carbonyl}-4-methylbenzenesulfonamide|NCI-C03327|Norglycin|NSC 70762|NSC-70762|Tolanase|Tolazamid|tolazamida|Tolazamidum|Tolazolamide|Tolinase|U 17835|U-17835|UNII-9LT1BRO48Q|Urea, 1-(hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)-|Urea, 1-(hexahydroazepin-1-yl)-3-p-tolylsulfonyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021358 https://doi.org/10.22427/NTP-DATA-DTXSID3021358
ERPathway2016 ERPathway2016_542 Tolazamide 1156-19-0 DTXSID3021358 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1 Tolazamide 1156-19-0|Tolazamide|1-(4-Methylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea|1-(Hexahydro-1-azepinyl)-3-p-tolylsulfonylurea|1-(Hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)urea|4-(p-tolylsulfonyl)-1,1-hexamethylenesemicarbazide|5-20-04-00062|Benzenesulfonamide, N-(((hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methyl-|Benzenesulfonamide, N-[[(hexahydro-1H-azepin-1-yl)amino]carbonyl]-4-methyl-|BENZENESULFONAMIDE, N-[[(HEXAHYDRO-1H-AZEPIN-1YL)AMINO]-CARBONYL]-4-METHYL-|BRN 1323565|CCRIS 591|Diabewas|EINECS 214-588-3|N-(((Hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methylbenzenesulfonamide|N-(p-Toluenesulfonyl)-N'-hexamethyleniminourea|N-{[(hexahydro-1H-azepin-1-yl)-amino]carbonyl}-4-methylbenzenesulfonamide|NCI-C03327|Norglycin|NSC 70762|NSC-70762|Tolanase|Tolazamid|tolazamida|Tolazamidum|Tolazolamide|Tolinase|U 17835|U-17835|UNII-9LT1BRO48Q|Urea, 1-(hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)-|Urea, 1-(hexahydroazepin-1-yl)-3-p-tolylsulfonyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021358 https://doi.org/10.22427/NTP-DATA-DTXSID3021358
ERPathway2016 ERPathway2016_542 Tolazamide 1156-19-0 DTXSID3021358 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1 Tolazamide 1156-19-0|Tolazamide|1-(4-Methylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea|1-(Hexahydro-1-azepinyl)-3-p-tolylsulfonylurea|1-(Hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)urea|4-(p-tolylsulfonyl)-1,1-hexamethylenesemicarbazide|5-20-04-00062|Benzenesulfonamide, N-(((hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methyl-|Benzenesulfonamide, N-[[(hexahydro-1H-azepin-1-yl)amino]carbonyl]-4-methyl-|BENZENESULFONAMIDE, N-[[(HEXAHYDRO-1H-AZEPIN-1YL)AMINO]-CARBONYL]-4-METHYL-|BRN 1323565|CCRIS 591|Diabewas|EINECS 214-588-3|N-(((Hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methylbenzenesulfonamide|N-(p-Toluenesulfonyl)-N'-hexamethyleniminourea|N-{[(hexahydro-1H-azepin-1-yl)-amino]carbonyl}-4-methylbenzenesulfonamide|NCI-C03327|Norglycin|NSC 70762|NSC-70762|Tolanase|Tolazamid|tolazamida|Tolazamidum|Tolazolamide|Tolinase|U 17835|U-17835|UNII-9LT1BRO48Q|Urea, 1-(hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)-|Urea, 1-(hexahydroazepin-1-yl)-3-p-tolylsulfonyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021358 https://doi.org/10.22427/NTP-DATA-DTXSID3021358
ARPathway2016 ARPathway2016_1358 Toluene 2,4-diisocyanate 584-84-9 DTXSID7026156 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C=C1N=C=O)N=C=O Toluene 2,4-diisocyanate 584-84-9|Toluene 2,4-diisocyanate|1,3-Diisocyanato-4-methylbenzene|2,4-Diisocyanato-1-methylbenzene|2,4-Diisocyanatotoluene|2,4-DIISOCYANATOTOLUOL|2,4-TDI|2,4-Toluene diisocyanate|2,4-Toluene diisocyanate (2,4-TDI)|2,4-Toluylene diisocyanate|2,4-Tolylene diisocyanate|4-Methyl-1,3-phenylene diisocyanate|4-Methyl-m-phenylendiisocyanat|4-methyl-m-phenylene diisocyanate|4-Methyl-m-phenylene isocyanate|4-Methyl-meta-phenylene diisocyanate|BENZENE, 2,4-DIISOCYANATO-1-METHYL|Benzene, 2,4-diisocyanato-1-methyl-|BRN 0744602|Cresorcinol diisocyanate|Desmodur T80|Di-iso-cyanatoluene|Di-isocyanate de toluylene|diisocianato de 4-metil-m-fenileno|Diisocyanat-toluol|Diisocyanate de 4-methyl-m-phenylene|EINECS 209-544-5|EINECS No.: 209-544-5|Hylene T|Hylene tlc|Isocyanic acid, 4-methyl-m-phenylene ester|Mondur TD|Mondur TDS|Nacconate IOO|NCI-C50533|NSC 4791|NSC 56759|TDI|TDI 100|Tolueen-diisocyanaat|Toluen-disocianato|Toluene 2,4-diisocyanate|toluene-2,4-diyl diisocyanate|TOLUENE, 2,4-DIISOCYANATE-|Toluene, 2,4-diisocyanato-|Toluilenodwuizocyjanian|Tolulene-|1260158-01-7|1358624-38-0|59539-76-3|856307-56-7|86-91-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026156 https://doi.org/10.22427/NTP-DATA-DTXSID7026156
ARPathway2016 ARPathway2016_1358 Toluene 2,4-diisocyanate 584-84-9 DTXSID7026156 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C=C1N=C=O)N=C=O Toluene 2,4-diisocyanate 584-84-9|Toluene 2,4-diisocyanate|1,3-Diisocyanato-4-methylbenzene|2,4-Diisocyanato-1-methylbenzene|2,4-Diisocyanatotoluene|2,4-DIISOCYANATOTOLUOL|2,4-TDI|2,4-Toluene diisocyanate|2,4-Toluene diisocyanate (2,4-TDI)|2,4-Toluylene diisocyanate|2,4-Tolylene diisocyanate|4-Methyl-1,3-phenylene diisocyanate|4-Methyl-m-phenylendiisocyanat|4-methyl-m-phenylene diisocyanate|4-Methyl-m-phenylene isocyanate|4-Methyl-meta-phenylene diisocyanate|BENZENE, 2,4-DIISOCYANATO-1-METHYL|Benzene, 2,4-diisocyanato-1-methyl-|BRN 0744602|Cresorcinol diisocyanate|Desmodur T80|Di-iso-cyanatoluene|Di-isocyanate de toluylene|diisocianato de 4-metil-m-fenileno|Diisocyanat-toluol|Diisocyanate de 4-methyl-m-phenylene|EINECS 209-544-5|EINECS No.: 209-544-5|Hylene T|Hylene tlc|Isocyanic acid, 4-methyl-m-phenylene ester|Mondur TD|Mondur TDS|Nacconate IOO|NCI-C50533|NSC 4791|NSC 56759|TDI|TDI 100|Tolueen-diisocyanaat|Toluen-disocianato|Toluene 2,4-diisocyanate|toluene-2,4-diyl diisocyanate|TOLUENE, 2,4-DIISOCYANATE-|Toluene, 2,4-diisocyanato-|Toluilenodwuizocyjanian|Tolulene-|1260158-01-7|1358624-38-0|59539-76-3|856307-56-7|86-91-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026156 https://doi.org/10.22427/NTP-DATA-DTXSID7026156
ARPathway2016 ARPathway2016_1358 Toluene 2,4-diisocyanate 584-84-9 DTXSID7026156 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C=C1N=C=O)N=C=O Toluene 2,4-diisocyanate 584-84-9|Toluene 2,4-diisocyanate|1,3-Diisocyanato-4-methylbenzene|2,4-Diisocyanato-1-methylbenzene|2,4-Diisocyanatotoluene|2,4-DIISOCYANATOTOLUOL|2,4-TDI|2,4-Toluene diisocyanate|2,4-Toluene diisocyanate (2,4-TDI)|2,4-Toluylene diisocyanate|2,4-Tolylene diisocyanate|4-Methyl-1,3-phenylene diisocyanate|4-Methyl-m-phenylendiisocyanat|4-methyl-m-phenylene diisocyanate|4-Methyl-m-phenylene isocyanate|4-Methyl-meta-phenylene diisocyanate|BENZENE, 2,4-DIISOCYANATO-1-METHYL|Benzene, 2,4-diisocyanato-1-methyl-|BRN 0744602|Cresorcinol diisocyanate|Desmodur T80|Di-iso-cyanatoluene|Di-isocyanate de toluylene|diisocianato de 4-metil-m-fenileno|Diisocyanat-toluol|Diisocyanate de 4-methyl-m-phenylene|EINECS 209-544-5|EINECS No.: 209-544-5|Hylene T|Hylene tlc|Isocyanic acid, 4-methyl-m-phenylene ester|Mondur TD|Mondur TDS|Nacconate IOO|NCI-C50533|NSC 4791|NSC 56759|TDI|TDI 100|Tolueen-diisocyanaat|Toluen-disocianato|Toluene 2,4-diisocyanate|toluene-2,4-diyl diisocyanate|TOLUENE, 2,4-DIISOCYANATE-|Toluene, 2,4-diisocyanato-|Toluilenodwuizocyjanian|Tolulene-|1260158-01-7|1358624-38-0|59539-76-3|856307-56-7|86-91-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026156 https://doi.org/10.22427/NTP-DATA-DTXSID7026156
ARPathway2016 ARPathway2016_1358 Toluene 2,4-diisocyanate 584-84-9 DTXSID7026156 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C=C1N=C=O)N=C=O Toluene 2,4-diisocyanate 584-84-9|Toluene 2,4-diisocyanate|1,3-Diisocyanato-4-methylbenzene|2,4-Diisocyanato-1-methylbenzene|2,4-Diisocyanatotoluene|2,4-DIISOCYANATOTOLUOL|2,4-TDI|2,4-Toluene diisocyanate|2,4-Toluene diisocyanate (2,4-TDI)|2,4-Toluylene diisocyanate|2,4-Tolylene diisocyanate|4-Methyl-1,3-phenylene diisocyanate|4-Methyl-m-phenylendiisocyanat|4-methyl-m-phenylene diisocyanate|4-Methyl-m-phenylene isocyanate|4-Methyl-meta-phenylene diisocyanate|BENZENE, 2,4-DIISOCYANATO-1-METHYL|Benzene, 2,4-diisocyanato-1-methyl-|BRN 0744602|Cresorcinol diisocyanate|Desmodur T80|Di-iso-cyanatoluene|Di-isocyanate de toluylene|diisocianato de 4-metil-m-fenileno|Diisocyanat-toluol|Diisocyanate de 4-methyl-m-phenylene|EINECS 209-544-5|EINECS No.: 209-544-5|Hylene T|Hylene tlc|Isocyanic acid, 4-methyl-m-phenylene ester|Mondur TD|Mondur TDS|Nacconate IOO|NCI-C50533|NSC 4791|NSC 56759|TDI|TDI 100|Tolueen-diisocyanaat|Toluen-disocianato|Toluene 2,4-diisocyanate|toluene-2,4-diyl diisocyanate|TOLUENE, 2,4-DIISOCYANATE-|Toluene, 2,4-diisocyanato-|Toluilenodwuizocyjanian|Tolulene-|1260158-01-7|1358624-38-0|59539-76-3|856307-56-7|86-91-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026156 https://doi.org/10.22427/NTP-DATA-DTXSID7026156
ERPathway2016 ERPathway2016_982 Toluene 2,4-diisocyanate 584-84-9 DTXSID7026156 ER Pathway Model, Agonist Model Score 0 Unitless CC1=CC=C(C=C1N=C=O)N=C=O Toluene 2,4-diisocyanate 584-84-9|Toluene 2,4-diisocyanate|1,3-Diisocyanato-4-methylbenzene|2,4-Diisocyanato-1-methylbenzene|2,4-Diisocyanatotoluene|2,4-DIISOCYANATOTOLUOL|2,4-TDI|2,4-Toluene diisocyanate|2,4-Toluene diisocyanate (2,4-TDI)|2,4-Toluylene diisocyanate|2,4-Tolylene diisocyanate|4-Methyl-1,3-phenylene diisocyanate|4-Methyl-m-phenylendiisocyanat|4-methyl-m-phenylene diisocyanate|4-Methyl-m-phenylene isocyanate|4-Methyl-meta-phenylene diisocyanate|BENZENE, 2,4-DIISOCYANATO-1-METHYL|Benzene, 2,4-diisocyanato-1-methyl-|BRN 0744602|Cresorcinol diisocyanate|Desmodur T80|Di-iso-cyanatoluene|Di-isocyanate de toluylene|diisocianato de 4-metil-m-fenileno|Diisocyanat-toluol|Diisocyanate de 4-methyl-m-phenylene|EINECS 209-544-5|EINECS No.: 209-544-5|Hylene T|Hylene tlc|Isocyanic acid, 4-methyl-m-phenylene ester|Mondur TD|Mondur TDS|Nacconate IOO|NCI-C50533|NSC 4791|NSC 56759|TDI|TDI 100|Tolueen-diisocyanaat|Toluen-disocianato|Toluene 2,4-diisocyanate|toluene-2,4-diyl diisocyanate|TOLUENE, 2,4-DIISOCYANATE-|Toluene, 2,4-diisocyanato-|Toluilenodwuizocyjanian|Tolulene-|1260158-01-7|1358624-38-0|59539-76-3|856307-56-7|86-91-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026156 https://doi.org/10.22427/NTP-DATA-DTXSID7026156
ERPathway2016 ERPathway2016_982 Toluene 2,4-diisocyanate 584-84-9 DTXSID7026156 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=CC=C(C=C1N=C=O)N=C=O Toluene 2,4-diisocyanate 584-84-9|Toluene 2,4-diisocyanate|1,3-Diisocyanato-4-methylbenzene|2,4-Diisocyanato-1-methylbenzene|2,4-Diisocyanatotoluene|2,4-DIISOCYANATOTOLUOL|2,4-TDI|2,4-Toluene diisocyanate|2,4-Toluene diisocyanate (2,4-TDI)|2,4-Toluylene diisocyanate|2,4-Tolylene diisocyanate|4-Methyl-1,3-phenylene diisocyanate|4-Methyl-m-phenylendiisocyanat|4-methyl-m-phenylene diisocyanate|4-Methyl-m-phenylene isocyanate|4-Methyl-meta-phenylene diisocyanate|BENZENE, 2,4-DIISOCYANATO-1-METHYL|Benzene, 2,4-diisocyanato-1-methyl-|BRN 0744602|Cresorcinol diisocyanate|Desmodur T80|Di-iso-cyanatoluene|Di-isocyanate de toluylene|diisocianato de 4-metil-m-fenileno|Diisocyanat-toluol|Diisocyanate de 4-methyl-m-phenylene|EINECS 209-544-5|EINECS No.: 209-544-5|Hylene T|Hylene tlc|Isocyanic acid, 4-methyl-m-phenylene ester|Mondur TD|Mondur TDS|Nacconate IOO|NCI-C50533|NSC 4791|NSC 56759|TDI|TDI 100|Tolueen-diisocyanaat|Toluen-disocianato|Toluene 2,4-diisocyanate|toluene-2,4-diyl diisocyanate|TOLUENE, 2,4-DIISOCYANATE-|Toluene, 2,4-diisocyanato-|Toluilenodwuizocyjanian|Tolulene-|1260158-01-7|1358624-38-0|59539-76-3|856307-56-7|86-91-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026156 https://doi.org/10.22427/NTP-DATA-DTXSID7026156
ERPathway2016 ERPathway2016_982 Toluene 2,4-diisocyanate 584-84-9 DTXSID7026156 ER Pathway Model, Agonist Call Inactive Unitless CC1=CC=C(C=C1N=C=O)N=C=O Toluene 2,4-diisocyanate 584-84-9|Toluene 2,4-diisocyanate|1,3-Diisocyanato-4-methylbenzene|2,4-Diisocyanato-1-methylbenzene|2,4-Diisocyanatotoluene|2,4-DIISOCYANATOTOLUOL|2,4-TDI|2,4-Toluene diisocyanate|2,4-Toluene diisocyanate (2,4-TDI)|2,4-Toluylene diisocyanate|2,4-Tolylene diisocyanate|4-Methyl-1,3-phenylene diisocyanate|4-Methyl-m-phenylendiisocyanat|4-methyl-m-phenylene diisocyanate|4-Methyl-m-phenylene isocyanate|4-Methyl-meta-phenylene diisocyanate|BENZENE, 2,4-DIISOCYANATO-1-METHYL|Benzene, 2,4-diisocyanato-1-methyl-|BRN 0744602|Cresorcinol diisocyanate|Desmodur T80|Di-iso-cyanatoluene|Di-isocyanate de toluylene|diisocianato de 4-metil-m-fenileno|Diisocyanat-toluol|Diisocyanate de 4-methyl-m-phenylene|EINECS 209-544-5|EINECS No.: 209-544-5|Hylene T|Hylene tlc|Isocyanic acid, 4-methyl-m-phenylene ester|Mondur TD|Mondur TDS|Nacconate IOO|NCI-C50533|NSC 4791|NSC 56759|TDI|TDI 100|Tolueen-diisocyanaat|Toluen-disocianato|Toluene 2,4-diisocyanate|toluene-2,4-diyl diisocyanate|TOLUENE, 2,4-DIISOCYANATE-|Toluene, 2,4-diisocyanato-|Toluilenodwuizocyjanian|Tolulene-|1260158-01-7|1358624-38-0|59539-76-3|856307-56-7|86-91-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026156 https://doi.org/10.22427/NTP-DATA-DTXSID7026156
ERPathway2016 ERPathway2016_982 Toluene 2,4-diisocyanate 584-84-9 DTXSID7026156 ER Pathway Model, Antagonist Call Inactive Unitless CC1=CC=C(C=C1N=C=O)N=C=O Toluene 2,4-diisocyanate 584-84-9|Toluene 2,4-diisocyanate|1,3-Diisocyanato-4-methylbenzene|2,4-Diisocyanato-1-methylbenzene|2,4-Diisocyanatotoluene|2,4-DIISOCYANATOTOLUOL|2,4-TDI|2,4-Toluene diisocyanate|2,4-Toluene diisocyanate (2,4-TDI)|2,4-Toluylene diisocyanate|2,4-Tolylene diisocyanate|4-Methyl-1,3-phenylene diisocyanate|4-Methyl-m-phenylendiisocyanat|4-methyl-m-phenylene diisocyanate|4-Methyl-m-phenylene isocyanate|4-Methyl-meta-phenylene diisocyanate|BENZENE, 2,4-DIISOCYANATO-1-METHYL|Benzene, 2,4-diisocyanato-1-methyl-|BRN 0744602|Cresorcinol diisocyanate|Desmodur T80|Di-iso-cyanatoluene|Di-isocyanate de toluylene|diisocianato de 4-metil-m-fenileno|Diisocyanat-toluol|Diisocyanate de 4-methyl-m-phenylene|EINECS 209-544-5|EINECS No.: 209-544-5|Hylene T|Hylene tlc|Isocyanic acid, 4-methyl-m-phenylene ester|Mondur TD|Mondur TDS|Nacconate IOO|NCI-C50533|NSC 4791|NSC 56759|TDI|TDI 100|Tolueen-diisocyanaat|Toluen-disocianato|Toluene 2,4-diisocyanate|toluene-2,4-diyl diisocyanate|TOLUENE, 2,4-DIISOCYANATE-|Toluene, 2,4-diisocyanato-|Toluilenodwuizocyjanian|Tolulene-|1260158-01-7|1358624-38-0|59539-76-3|856307-56-7|86-91-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026156 https://doi.org/10.22427/NTP-DATA-DTXSID7026156
ARPathway2016 ARPathway2016_1113 Tolyltriazole 29385-43-1 DTXSID0026171 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless C*.N1N=NC2=CC=CC=C12 |c:2,6,t:4,8,lp:2:1,3:1,4:1,m:1:6.7| Tolyltriazole 29385-43-1|Tolyltriazole|1H-Benzotriazole, 4(5)-methyl-|1H-Benzotriazole, 4(or 5)-methyl-|1H-Benzotriazole, 4(or5)-methyl-|1H-Benzotriazole, 6(or 7)-methyl-|1H-BENZOTRIAZOLE, METHYL|1H-Benzotriazole, methyl-|1H-benzotriazole,4(or5)-methyl|249-596-6|BENZOTRIAZOLE, METHYL|BENZOTRIAZOLE, METHYL-|Cobratec TT 100|Cobratec TT 35I|EC No.: 249-596-6|EINECS 249-596-6|Methyl-1H-benzotriazol|Methyl-1H-benzotriazole|Methylbenzotriazole|metil-1H-benzotriazol|Preventol CI 7-100|Seetec T|Seetec TT|Seetec TT-R|Stabinol MBTZ|TOLYL TRIAZOLE|Tolytriazole (1H-Benzotriazole, 4(or 5)-methyl-)|197463-09-5|39327-11-2|39410-70-3|42441-65-6|82467-35-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026171 https://doi.org/10.22427/NTP-DATA-DTXSID0026171
ARPathway2016 ARPathway2016_1113 Tolyltriazole 29385-43-1 DTXSID0026171 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless C*.N1N=NC2=CC=CC=C12 |c:2,6,t:4,8,lp:2:1,3:1,4:1,m:1:6.7| Tolyltriazole 29385-43-1|Tolyltriazole|1H-Benzotriazole, 4(5)-methyl-|1H-Benzotriazole, 4(or 5)-methyl-|1H-Benzotriazole, 4(or5)-methyl-|1H-Benzotriazole, 6(or 7)-methyl-|1H-BENZOTRIAZOLE, METHYL|1H-Benzotriazole, methyl-|1H-benzotriazole,4(or5)-methyl|249-596-6|BENZOTRIAZOLE, METHYL|BENZOTRIAZOLE, METHYL-|Cobratec TT 100|Cobratec TT 35I|EC No.: 249-596-6|EINECS 249-596-6|Methyl-1H-benzotriazol|Methyl-1H-benzotriazole|Methylbenzotriazole|metil-1H-benzotriazol|Preventol CI 7-100|Seetec T|Seetec TT|Seetec TT-R|Stabinol MBTZ|TOLYL TRIAZOLE|Tolytriazole (1H-Benzotriazole, 4(or 5)-methyl-)|197463-09-5|39327-11-2|39410-70-3|42441-65-6|82467-35-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026171 https://doi.org/10.22427/NTP-DATA-DTXSID0026171
ARPathway2016 ARPathway2016_1113 Tolyltriazole 29385-43-1 DTXSID0026171 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless C*.N1N=NC2=CC=CC=C12 |c:2,6,t:4,8,lp:2:1,3:1,4:1,m:1:6.7| Tolyltriazole 29385-43-1|Tolyltriazole|1H-Benzotriazole, 4(5)-methyl-|1H-Benzotriazole, 4(or 5)-methyl-|1H-Benzotriazole, 4(or5)-methyl-|1H-Benzotriazole, 6(or 7)-methyl-|1H-BENZOTRIAZOLE, METHYL|1H-Benzotriazole, methyl-|1H-benzotriazole,4(or5)-methyl|249-596-6|BENZOTRIAZOLE, METHYL|BENZOTRIAZOLE, METHYL-|Cobratec TT 100|Cobratec TT 35I|EC No.: 249-596-6|EINECS 249-596-6|Methyl-1H-benzotriazol|Methyl-1H-benzotriazole|Methylbenzotriazole|metil-1H-benzotriazol|Preventol CI 7-100|Seetec T|Seetec TT|Seetec TT-R|Stabinol MBTZ|TOLYL TRIAZOLE|Tolytriazole (1H-Benzotriazole, 4(or 5)-methyl-)|197463-09-5|39327-11-2|39410-70-3|42441-65-6|82467-35-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026171 https://doi.org/10.22427/NTP-DATA-DTXSID0026171
ARPathway2016 ARPathway2016_1113 Tolyltriazole 29385-43-1 DTXSID0026171 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless C*.N1N=NC2=CC=CC=C12 |c:2,6,t:4,8,lp:2:1,3:1,4:1,m:1:6.7| Tolyltriazole 29385-43-1|Tolyltriazole|1H-Benzotriazole, 4(5)-methyl-|1H-Benzotriazole, 4(or 5)-methyl-|1H-Benzotriazole, 4(or5)-methyl-|1H-Benzotriazole, 6(or 7)-methyl-|1H-BENZOTRIAZOLE, METHYL|1H-Benzotriazole, methyl-|1H-benzotriazole,4(or5)-methyl|249-596-6|BENZOTRIAZOLE, METHYL|BENZOTRIAZOLE, METHYL-|Cobratec TT 100|Cobratec TT 35I|EC No.: 249-596-6|EINECS 249-596-6|Methyl-1H-benzotriazol|Methyl-1H-benzotriazole|Methylbenzotriazole|metil-1H-benzotriazol|Preventol CI 7-100|Seetec T|Seetec TT|Seetec TT-R|Stabinol MBTZ|TOLYL TRIAZOLE|Tolytriazole (1H-Benzotriazole, 4(or 5)-methyl-)|197463-09-5|39327-11-2|39410-70-3|42441-65-6|82467-35-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026171 https://doi.org/10.22427/NTP-DATA-DTXSID0026171
ERPathway2016 ERPathway2016_1433 Tolyltriazole 29385-43-1 DTXSID0026171 ER Pathway Model, Agonist Model Score 0 Unitless C*.N1N=NC2=CC=CC=C12 |c:2,6,t:4,8,lp:2:1,3:1,4:1,m:1:6.7| Tolyltriazole 29385-43-1|Tolyltriazole|1H-Benzotriazole, 4(5)-methyl-|1H-Benzotriazole, 4(or 5)-methyl-|1H-Benzotriazole, 4(or5)-methyl-|1H-Benzotriazole, 6(or 7)-methyl-|1H-BENZOTRIAZOLE, METHYL|1H-Benzotriazole, methyl-|1H-benzotriazole,4(or5)-methyl|249-596-6|BENZOTRIAZOLE, METHYL|BENZOTRIAZOLE, METHYL-|Cobratec TT 100|Cobratec TT 35I|EC No.: 249-596-6|EINECS 249-596-6|Methyl-1H-benzotriazol|Methyl-1H-benzotriazole|Methylbenzotriazole|metil-1H-benzotriazol|Preventol CI 7-100|Seetec T|Seetec TT|Seetec TT-R|Stabinol MBTZ|TOLYL TRIAZOLE|Tolytriazole (1H-Benzotriazole, 4(or 5)-methyl-)|197463-09-5|39327-11-2|39410-70-3|42441-65-6|82467-35-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026171 https://doi.org/10.22427/NTP-DATA-DTXSID0026171
ERPathway2016 ERPathway2016_1433 Tolyltriazole 29385-43-1 DTXSID0026171 ER Pathway Model, Antagonist Model Score 0 Unitless C*.N1N=NC2=CC=CC=C12 |c:2,6,t:4,8,lp:2:1,3:1,4:1,m:1:6.7| Tolyltriazole 29385-43-1|Tolyltriazole|1H-Benzotriazole, 4(5)-methyl-|1H-Benzotriazole, 4(or 5)-methyl-|1H-Benzotriazole, 4(or5)-methyl-|1H-Benzotriazole, 6(or 7)-methyl-|1H-BENZOTRIAZOLE, METHYL|1H-Benzotriazole, methyl-|1H-benzotriazole,4(or5)-methyl|249-596-6|BENZOTRIAZOLE, METHYL|BENZOTRIAZOLE, METHYL-|Cobratec TT 100|Cobratec TT 35I|EC No.: 249-596-6|EINECS 249-596-6|Methyl-1H-benzotriazol|Methyl-1H-benzotriazole|Methylbenzotriazole|metil-1H-benzotriazol|Preventol CI 7-100|Seetec T|Seetec TT|Seetec TT-R|Stabinol MBTZ|TOLYL TRIAZOLE|Tolytriazole (1H-Benzotriazole, 4(or 5)-methyl-)|197463-09-5|39327-11-2|39410-70-3|42441-65-6|82467-35-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026171 https://doi.org/10.22427/NTP-DATA-DTXSID0026171
ERPathway2016 ERPathway2016_1433 Tolyltriazole 29385-43-1 DTXSID0026171 ER Pathway Model, Agonist Call Inactive Unitless C*.N1N=NC2=CC=CC=C12 |c:2,6,t:4,8,lp:2:1,3:1,4:1,m:1:6.7| Tolyltriazole 29385-43-1|Tolyltriazole|1H-Benzotriazole, 4(5)-methyl-|1H-Benzotriazole, 4(or 5)-methyl-|1H-Benzotriazole, 4(or5)-methyl-|1H-Benzotriazole, 6(or 7)-methyl-|1H-BENZOTRIAZOLE, METHYL|1H-Benzotriazole, methyl-|1H-benzotriazole,4(or5)-methyl|249-596-6|BENZOTRIAZOLE, METHYL|BENZOTRIAZOLE, METHYL-|Cobratec TT 100|Cobratec TT 35I|EC No.: 249-596-6|EINECS 249-596-6|Methyl-1H-benzotriazol|Methyl-1H-benzotriazole|Methylbenzotriazole|metil-1H-benzotriazol|Preventol CI 7-100|Seetec T|Seetec TT|Seetec TT-R|Stabinol MBTZ|TOLYL TRIAZOLE|Tolytriazole (1H-Benzotriazole, 4(or 5)-methyl-)|197463-09-5|39327-11-2|39410-70-3|42441-65-6|82467-35-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026171 https://doi.org/10.22427/NTP-DATA-DTXSID0026171
ERPathway2016 ERPathway2016_1433 Tolyltriazole 29385-43-1 DTXSID0026171 ER Pathway Model, Antagonist Call Inactive Unitless C*.N1N=NC2=CC=CC=C12 |c:2,6,t:4,8,lp:2:1,3:1,4:1,m:1:6.7| Tolyltriazole 29385-43-1|Tolyltriazole|1H-Benzotriazole, 4(5)-methyl-|1H-Benzotriazole, 4(or 5)-methyl-|1H-Benzotriazole, 4(or5)-methyl-|1H-Benzotriazole, 6(or 7)-methyl-|1H-BENZOTRIAZOLE, METHYL|1H-Benzotriazole, methyl-|1H-benzotriazole,4(or5)-methyl|249-596-6|BENZOTRIAZOLE, METHYL|BENZOTRIAZOLE, METHYL-|Cobratec TT 100|Cobratec TT 35I|EC No.: 249-596-6|EINECS 249-596-6|Methyl-1H-benzotriazol|Methyl-1H-benzotriazole|Methylbenzotriazole|metil-1H-benzotriazol|Preventol CI 7-100|Seetec T|Seetec TT|Seetec TT-R|Stabinol MBTZ|TOLYL TRIAZOLE|Tolytriazole (1H-Benzotriazole, 4(or 5)-methyl-)|197463-09-5|39327-11-2|39410-70-3|42441-65-6|82467-35-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026171 https://doi.org/10.22427/NTP-DATA-DTXSID0026171
ARPathway2016 ARPathway2016_993 Tonalide 21145-77-7 DTXSID7041544 0.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CC1CC(C)(C)C2=C(C=C(C)C(=C2)C(C)=O)C1(C)C Tonalide 21145-77-7|Tonalide|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone|1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftil)etan-1-ona|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethanone|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-on|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-one|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethan-1-one|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethane-1-one|6-Acetyl-1,1,2,4,4,7-hexamethyltetralin|6-Acetyl-1,1,2,4,4,7-hexamethyltetraline|7-Acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetra-hydronaphthalene|7-Acetyl-1,1,3,4,4,6-hexamethyltetralin|7-Acetyl-1,1,3,4,4,6-hexamethyltetraline|Acetylhexamethyltetrahydronaphthalene|AHMT|AHMT (perfume)|EINECS 244-240-6|Etanona, 1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftalenil)-|ETHANONE, 1-(5,6,7,8-TETRAHYDRO-3,5,5,6,8,8- HEXAMETHYL-2-NAPHTHALENYL)-|Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6|131433-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041544
ARPathway2016 ARPathway2016_993 Tonalide 21145-77-7 DTXSID7041544 0.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CC1CC(C)(C)C2=C(C=C(C)C(=C2)C(C)=O)C1(C)C Tonalide 21145-77-7|Tonalide|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone|1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftil)etan-1-ona|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethanone|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-on|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-one|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethan-1-one|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethane-1-one|6-Acetyl-1,1,2,4,4,7-hexamethyltetralin|6-Acetyl-1,1,2,4,4,7-hexamethyltetraline|7-Acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetra-hydronaphthalene|7-Acetyl-1,1,3,4,4,6-hexamethyltetralin|7-Acetyl-1,1,3,4,4,6-hexamethyltetraline|Acetylhexamethyltetrahydronaphthalene|AHMT|AHMT (perfume)|EINECS 244-240-6|Etanona, 1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftalenil)-|ETHANONE, 1-(5,6,7,8-TETRAHYDRO-3,5,5,6,8,8- HEXAMETHYL-2-NAPHTHALENYL)-|Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6|131433-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041544
ARPathway2016 ARPathway2016_993 Tonalide 21145-77-7 DTXSID7041544 0.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CC1CC(C)(C)C2=C(C=C(C)C(=C2)C(C)=O)C1(C)C Tonalide 21145-77-7|Tonalide|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone|1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftil)etan-1-ona|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethanone|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-on|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-one|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethan-1-one|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethane-1-one|6-Acetyl-1,1,2,4,4,7-hexamethyltetralin|6-Acetyl-1,1,2,4,4,7-hexamethyltetraline|7-Acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetra-hydronaphthalene|7-Acetyl-1,1,3,4,4,6-hexamethyltetralin|7-Acetyl-1,1,3,4,4,6-hexamethyltetraline|Acetylhexamethyltetrahydronaphthalene|AHMT|AHMT (perfume)|EINECS 244-240-6|Etanona, 1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftalenil)-|ETHANONE, 1-(5,6,7,8-TETRAHYDRO-3,5,5,6,8,8- HEXAMETHYL-2-NAPHTHALENYL)-|Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6|131433-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041544
ARPathway2016 ARPathway2016_993 Tonalide 21145-77-7 DTXSID7041544 0.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CC1CC(C)(C)C2=C(C=C(C)C(=C2)C(C)=O)C1(C)C Tonalide 21145-77-7|Tonalide|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone|1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftil)etan-1-ona|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethanone|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-on|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-one|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethan-1-one|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethane-1-one|6-Acetyl-1,1,2,4,4,7-hexamethyltetralin|6-Acetyl-1,1,2,4,4,7-hexamethyltetraline|7-Acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetra-hydronaphthalene|7-Acetyl-1,1,3,4,4,6-hexamethyltetralin|7-Acetyl-1,1,3,4,4,6-hexamethyltetraline|Acetylhexamethyltetrahydronaphthalene|AHMT|AHMT (perfume)|EINECS 244-240-6|Etanona, 1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftalenil)-|ETHANONE, 1-(5,6,7,8-TETRAHYDRO-3,5,5,6,8,8- HEXAMETHYL-2-NAPHTHALENYL)-|Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6|131433-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041544
ERPathway2016 ERPathway2016_294 Tonalide 21145-77-7 DTXSID7041544 ER Pathway Model, Antagonist AC50 13.5672114060306 uM CC1CC(C)(C)C2=C(C=C(C)C(=C2)C(C)=O)C1(C)C Tonalide 21145-77-7|Tonalide|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone|1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftil)etan-1-ona|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethanone|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-on|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-one|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethan-1-one|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethane-1-one|6-Acetyl-1,1,2,4,4,7-hexamethyltetralin|6-Acetyl-1,1,2,4,4,7-hexamethyltetraline|7-Acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetra-hydronaphthalene|7-Acetyl-1,1,3,4,4,6-hexamethyltetralin|7-Acetyl-1,1,3,4,4,6-hexamethyltetraline|Acetylhexamethyltetrahydronaphthalene|AHMT|AHMT (perfume)|EINECS 244-240-6|Etanona, 1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftalenil)-|ETHANONE, 1-(5,6,7,8-TETRAHYDRO-3,5,5,6,8,8- HEXAMETHYL-2-NAPHTHALENYL)-|Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6|131433-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041544
ERPathway2016 ERPathway2016_294 Tonalide 21145-77-7 DTXSID7041544 ER Pathway Model, Antagonist ACC 5.31979312584713 uM CC1CC(C)(C)C2=C(C=C(C)C(=C2)C(C)=O)C1(C)C Tonalide 21145-77-7|Tonalide|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone|1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftil)etan-1-ona|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethanone|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-on|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-one|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethan-1-one|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethane-1-one|6-Acetyl-1,1,2,4,4,7-hexamethyltetralin|6-Acetyl-1,1,2,4,4,7-hexamethyltetraline|7-Acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetra-hydronaphthalene|7-Acetyl-1,1,3,4,4,6-hexamethyltetralin|7-Acetyl-1,1,3,4,4,6-hexamethyltetraline|Acetylhexamethyltetrahydronaphthalene|AHMT|AHMT (perfume)|EINECS 244-240-6|Etanona, 1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftalenil)-|ETHANONE, 1-(5,6,7,8-TETRAHYDRO-3,5,5,6,8,8- HEXAMETHYL-2-NAPHTHALENYL)-|Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6|131433-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041544
ERPathway2016 ERPathway2016_294 Tonalide 21145-77-7 DTXSID7041544 ER Pathway Model, Agonist Model Score 0.0388 Unitless CC1CC(C)(C)C2=C(C=C(C)C(=C2)C(C)=O)C1(C)C Tonalide 21145-77-7|Tonalide|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone|1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftil)etan-1-ona|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethanone|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-on|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-one|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethan-1-one|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethane-1-one|6-Acetyl-1,1,2,4,4,7-hexamethyltetralin|6-Acetyl-1,1,2,4,4,7-hexamethyltetraline|7-Acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetra-hydronaphthalene|7-Acetyl-1,1,3,4,4,6-hexamethyltetralin|7-Acetyl-1,1,3,4,4,6-hexamethyltetraline|Acetylhexamethyltetrahydronaphthalene|AHMT|AHMT (perfume)|EINECS 244-240-6|Etanona, 1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftalenil)-|ETHANONE, 1-(5,6,7,8-TETRAHYDRO-3,5,5,6,8,8- HEXAMETHYL-2-NAPHTHALENYL)-|Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6|131433-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041544
ERPathway2016 ERPathway2016_294 Tonalide 21145-77-7 DTXSID7041544 ER Pathway Model, Antagonist Model Score 0 Unitless CC1CC(C)(C)C2=C(C=C(C)C(=C2)C(C)=O)C1(C)C Tonalide 21145-77-7|Tonalide|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone|1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftil)etan-1-ona|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethanone|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-on|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-one|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethan-1-one|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethane-1-one|6-Acetyl-1,1,2,4,4,7-hexamethyltetralin|6-Acetyl-1,1,2,4,4,7-hexamethyltetraline|7-Acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetra-hydronaphthalene|7-Acetyl-1,1,3,4,4,6-hexamethyltetralin|7-Acetyl-1,1,3,4,4,6-hexamethyltetraline|Acetylhexamethyltetrahydronaphthalene|AHMT|AHMT (perfume)|EINECS 244-240-6|Etanona, 1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftalenil)-|ETHANONE, 1-(5,6,7,8-TETRAHYDRO-3,5,5,6,8,8- HEXAMETHYL-2-NAPHTHALENYL)-|Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6|131433-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041544
ERPathway2016 ERPathway2016_294 Tonalide 21145-77-7 DTXSID7041544 ER Pathway Model, Agonist Call Inactive Unitless CC1CC(C)(C)C2=C(C=C(C)C(=C2)C(C)=O)C1(C)C Tonalide 21145-77-7|Tonalide|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone|1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftil)etan-1-ona|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethanone|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-on|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-one|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethan-1-one|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethane-1-one|6-Acetyl-1,1,2,4,4,7-hexamethyltetralin|6-Acetyl-1,1,2,4,4,7-hexamethyltetraline|7-Acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetra-hydronaphthalene|7-Acetyl-1,1,3,4,4,6-hexamethyltetralin|7-Acetyl-1,1,3,4,4,6-hexamethyltetraline|Acetylhexamethyltetrahydronaphthalene|AHMT|AHMT (perfume)|EINECS 244-240-6|Etanona, 1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftalenil)-|ETHANONE, 1-(5,6,7,8-TETRAHYDRO-3,5,5,6,8,8- HEXAMETHYL-2-NAPHTHALENYL)-|Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6|131433-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041544
ERPathway2016 ERPathway2016_294 Tonalide 21145-77-7 DTXSID7041544 ER Pathway Model, Antagonist Call Active Unitless CC1CC(C)(C)C2=C(C=C(C)C(=C2)C(C)=O)C1(C)C Tonalide 21145-77-7|Tonalide|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one|1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone|1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftil)etan-1-ona|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)ethanone|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-on|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-one|1-(5,6,7,8-Tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethan-1-one|1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphtyl)ethane-1-one|6-Acetyl-1,1,2,4,4,7-hexamethyltetralin|6-Acetyl-1,1,2,4,4,7-hexamethyltetraline|7-Acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetra-hydronaphthalene|7-Acetyl-1,1,3,4,4,6-hexamethyltetralin|7-Acetyl-1,1,3,4,4,6-hexamethyltetraline|Acetylhexamethyltetrahydronaphthalene|AHMT|AHMT (perfume)|EINECS 244-240-6|Etanona, 1-(5,6,7,8-tetrahidro-3,5,5,6,8,8-hexametil-2-naftalenil)-|ETHANONE, 1-(5,6,7,8-TETRAHYDRO-3,5,5,6,8,8- HEXAMETHYL-2-NAPHTHALENYL)-|Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6|131433-13-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7041544
ARPathway2016 ARPathway2016_988 Topramezone 210631-68-8 DTXSID0034722 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CN1N=CC(C(=O)C2=C(C)C(C3=NOCC3)=C(C=C2)S(C)(=O)=O)=C1O Topramezone 210631-68-8|Topramezone|[3-(4,5-dihydro-1,2-oxazol-3-yl)-4-(methanesulfonyl)-2-methylphenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)methanone|[3-(4,5-Dihydro-1,2-oxazol-3-yl)-4-mesyl-o-tolyl](5-hydroxy-1-methylpyrazol-4-yl)methanone|[3-(4,5-Dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)methanone|606-699-4|Arietta|BAS 670H|Benzuocaotong|Clio|EC No.: 606-699-4|Impact (herbicide)|Methanone, [3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)-|UNII-W4934JAQ65|937777-69-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034722
ARPathway2016 ARPathway2016_988 Topramezone 210631-68-8 DTXSID0034722 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CN1N=CC(C(=O)C2=C(C)C(C3=NOCC3)=C(C=C2)S(C)(=O)=O)=C1O Topramezone 210631-68-8|Topramezone|[3-(4,5-dihydro-1,2-oxazol-3-yl)-4-(methanesulfonyl)-2-methylphenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)methanone|[3-(4,5-Dihydro-1,2-oxazol-3-yl)-4-mesyl-o-tolyl](5-hydroxy-1-methylpyrazol-4-yl)methanone|[3-(4,5-Dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)methanone|606-699-4|Arietta|BAS 670H|Benzuocaotong|Clio|EC No.: 606-699-4|Impact (herbicide)|Methanone, [3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)-|UNII-W4934JAQ65|937777-69-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034722
ARPathway2016 ARPathway2016_988 Topramezone 210631-68-8 DTXSID0034722 0.0 AR Pathway Model, Agonist Call Inactive Unitless CN1N=CC(C(=O)C2=C(C)C(C3=NOCC3)=C(C=C2)S(C)(=O)=O)=C1O Topramezone 210631-68-8|Topramezone|[3-(4,5-dihydro-1,2-oxazol-3-yl)-4-(methanesulfonyl)-2-methylphenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)methanone|[3-(4,5-Dihydro-1,2-oxazol-3-yl)-4-mesyl-o-tolyl](5-hydroxy-1-methylpyrazol-4-yl)methanone|[3-(4,5-Dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)methanone|606-699-4|Arietta|BAS 670H|Benzuocaotong|Clio|EC No.: 606-699-4|Impact (herbicide)|Methanone, [3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)-|UNII-W4934JAQ65|937777-69-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034722
ARPathway2016 ARPathway2016_988 Topramezone 210631-68-8 DTXSID0034722 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CN1N=CC(C(=O)C2=C(C)C(C3=NOCC3)=C(C=C2)S(C)(=O)=O)=C1O Topramezone 210631-68-8|Topramezone|[3-(4,5-dihydro-1,2-oxazol-3-yl)-4-(methanesulfonyl)-2-methylphenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)methanone|[3-(4,5-Dihydro-1,2-oxazol-3-yl)-4-mesyl-o-tolyl](5-hydroxy-1-methylpyrazol-4-yl)methanone|[3-(4,5-Dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)methanone|606-699-4|Arietta|BAS 670H|Benzuocaotong|Clio|EC No.: 606-699-4|Impact (herbicide)|Methanone, [3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)-|UNII-W4934JAQ65|937777-69-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034722
ERPathway2016 ERPathway2016_1373 Topramezone 210631-68-8 DTXSID0034722 ER Pathway Model, Agonist Model Score 0 Unitless CN1N=CC(C(=O)C2=C(C)C(C3=NOCC3)=C(C=C2)S(C)(=O)=O)=C1O Topramezone 210631-68-8|Topramezone|[3-(4,5-dihydro-1,2-oxazol-3-yl)-4-(methanesulfonyl)-2-methylphenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)methanone|[3-(4,5-Dihydro-1,2-oxazol-3-yl)-4-mesyl-o-tolyl](5-hydroxy-1-methylpyrazol-4-yl)methanone|[3-(4,5-Dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)methanone|606-699-4|Arietta|BAS 670H|Benzuocaotong|Clio|EC No.: 606-699-4|Impact (herbicide)|Methanone, [3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)-|UNII-W4934JAQ65|937777-69-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034722
ERPathway2016 ERPathway2016_1373 Topramezone 210631-68-8 DTXSID0034722 ER Pathway Model, Antagonist Model Score 0 Unitless CN1N=CC(C(=O)C2=C(C)C(C3=NOCC3)=C(C=C2)S(C)(=O)=O)=C1O Topramezone 210631-68-8|Topramezone|[3-(4,5-dihydro-1,2-oxazol-3-yl)-4-(methanesulfonyl)-2-methylphenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)methanone|[3-(4,5-Dihydro-1,2-oxazol-3-yl)-4-mesyl-o-tolyl](5-hydroxy-1-methylpyrazol-4-yl)methanone|[3-(4,5-Dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)methanone|606-699-4|Arietta|BAS 670H|Benzuocaotong|Clio|EC No.: 606-699-4|Impact (herbicide)|Methanone, [3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)-|UNII-W4934JAQ65|937777-69-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034722
ERPathway2016 ERPathway2016_1373 Topramezone 210631-68-8 DTXSID0034722 ER Pathway Model, Agonist Call Inactive Unitless CN1N=CC(C(=O)C2=C(C)C(C3=NOCC3)=C(C=C2)S(C)(=O)=O)=C1O Topramezone 210631-68-8|Topramezone|[3-(4,5-dihydro-1,2-oxazol-3-yl)-4-(methanesulfonyl)-2-methylphenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)methanone|[3-(4,5-Dihydro-1,2-oxazol-3-yl)-4-mesyl-o-tolyl](5-hydroxy-1-methylpyrazol-4-yl)methanone|[3-(4,5-Dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)methanone|606-699-4|Arietta|BAS 670H|Benzuocaotong|Clio|EC No.: 606-699-4|Impact (herbicide)|Methanone, [3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)-|UNII-W4934JAQ65|937777-69-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034722
ERPathway2016 ERPathway2016_1373 Topramezone 210631-68-8 DTXSID0034722 ER Pathway Model, Antagonist Call Inactive Unitless CN1N=CC(C(=O)C2=C(C)C(C3=NOCC3)=C(C=C2)S(C)(=O)=O)=C1O Topramezone 210631-68-8|Topramezone|[3-(4,5-dihydro-1,2-oxazol-3-yl)-4-(methanesulfonyl)-2-methylphenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)methanone|[3-(4,5-Dihydro-1,2-oxazol-3-yl)-4-mesyl-o-tolyl](5-hydroxy-1-methylpyrazol-4-yl)methanone|[3-(4,5-Dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)methanone|606-699-4|Arietta|BAS 670H|Benzuocaotong|Clio|EC No.: 606-699-4|Impact (herbicide)|Methanone, [3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)-|UNII-W4934JAQ65|937777-69-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0034722
ARPathway2016 ARPathway2016_1671 Tralkoxydim 87820-88-0 DTXSID1034973 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCON=C(CC)C1=C(O)CC(CC1=O)C1=C(C)C=C(C)C=C1C Tralkoxydim 87820-88-0|Tralkoxydim|2-[1-(Ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-2-cyclohexen-1-one|2-Cyclohexen-1-one, 2-[1-(ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-|Achieve|FD 4026|PP 604|R162604|Splendor|Tralkoxydime|UNII-39J71H3DDD|115839-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034973
ARPathway2016 ARPathway2016_1671 Tralkoxydim 87820-88-0 DTXSID1034973 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCON=C(CC)C1=C(O)CC(CC1=O)C1=C(C)C=C(C)C=C1C Tralkoxydim 87820-88-0|Tralkoxydim|2-[1-(Ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-2-cyclohexen-1-one|2-Cyclohexen-1-one, 2-[1-(ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-|Achieve|FD 4026|PP 604|R162604|Splendor|Tralkoxydime|UNII-39J71H3DDD|115839-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034973
ARPathway2016 ARPathway2016_1671 Tralkoxydim 87820-88-0 DTXSID1034973 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCON=C(CC)C1=C(O)CC(CC1=O)C1=C(C)C=C(C)C=C1C Tralkoxydim 87820-88-0|Tralkoxydim|2-[1-(Ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-2-cyclohexen-1-one|2-Cyclohexen-1-one, 2-[1-(ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-|Achieve|FD 4026|PP 604|R162604|Splendor|Tralkoxydime|UNII-39J71H3DDD|115839-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034973
ARPathway2016 ARPathway2016_1671 Tralkoxydim 87820-88-0 DTXSID1034973 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCON=C(CC)C1=C(O)CC(CC1=O)C1=C(C)C=C(C)C=C1C Tralkoxydim 87820-88-0|Tralkoxydim|2-[1-(Ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-2-cyclohexen-1-one|2-Cyclohexen-1-one, 2-[1-(ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-|Achieve|FD 4026|PP 604|R162604|Splendor|Tralkoxydime|UNII-39J71H3DDD|115839-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034973
ERPathway2016 ERPathway2016_1720 Tralkoxydim 87820-88-0 DTXSID1034973 ER Pathway Model, Agonist Model Score 0 Unitless CCON=C(CC)C1=C(O)CC(CC1=O)C1=C(C)C=C(C)C=C1C Tralkoxydim 87820-88-0|Tralkoxydim|2-[1-(Ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-2-cyclohexen-1-one|2-Cyclohexen-1-one, 2-[1-(ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-|Achieve|FD 4026|PP 604|R162604|Splendor|Tralkoxydime|UNII-39J71H3DDD|115839-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034973
ERPathway2016 ERPathway2016_1720 Tralkoxydim 87820-88-0 DTXSID1034973 ER Pathway Model, Antagonist Model Score 0 Unitless CCON=C(CC)C1=C(O)CC(CC1=O)C1=C(C)C=C(C)C=C1C Tralkoxydim 87820-88-0|Tralkoxydim|2-[1-(Ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-2-cyclohexen-1-one|2-Cyclohexen-1-one, 2-[1-(ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-|Achieve|FD 4026|PP 604|R162604|Splendor|Tralkoxydime|UNII-39J71H3DDD|115839-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034973
ERPathway2016 ERPathway2016_1720 Tralkoxydim 87820-88-0 DTXSID1034973 ER Pathway Model, Agonist Call Inactive Unitless CCON=C(CC)C1=C(O)CC(CC1=O)C1=C(C)C=C(C)C=C1C Tralkoxydim 87820-88-0|Tralkoxydim|2-[1-(Ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-2-cyclohexen-1-one|2-Cyclohexen-1-one, 2-[1-(ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-|Achieve|FD 4026|PP 604|R162604|Splendor|Tralkoxydime|UNII-39J71H3DDD|115839-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034973
ERPathway2016 ERPathway2016_1720 Tralkoxydim 87820-88-0 DTXSID1034973 ER Pathway Model, Antagonist Call Inactive Unitless CCON=C(CC)C1=C(O)CC(CC1=O)C1=C(C)C=C(C)C=C1C Tralkoxydim 87820-88-0|Tralkoxydim|2-[1-(Ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-2-cyclohexen-1-one|2-Cyclohexen-1-one, 2-[1-(ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)-|Achieve|FD 4026|PP 604|R162604|Splendor|Tralkoxydime|UNII-39J71H3DDD|115839-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1034973
ARPathway2016 ARPathway2016_96 Trelanserin 189003-92-7 DTXSID2047355 1.0 AR Pathway Model, Agonist AC50 39.2464931113606 uM NC(=O)CN1C(=O)C=C(CCN2CCN(CC2)C2=NC=CC3=C2C=CS3)C2=C1C=C(F)C=C2 Trelanserin 189003-92-7|Trelanserin|SL650472|UNII-QUD44MBL5S https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047355
ARPathway2016 ARPathway2016_96 Trelanserin 189003-92-7 DTXSID2047355 1.0 AR Pathway Model, Agonist ACC 47.5595362 uM NC(=O)CN1C(=O)C=C(CCN2CCN(CC2)C2=NC=CC3=C2C=CS3)C2=C1C=C(F)C=C2 Trelanserin 189003-92-7|Trelanserin|SL650472|UNII-QUD44MBL5S https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047355
ARPathway2016 ARPathway2016_96 Trelanserin 189003-92-7 DTXSID2047355 1.0 AR Pathway Model, Antagonist Model Score 0.0286 Unitless NC(=O)CN1C(=O)C=C(CCN2CCN(CC2)C2=NC=CC3=C2C=CS3)C2=C1C=C(F)C=C2 Trelanserin 189003-92-7|Trelanserin|SL650472|UNII-QUD44MBL5S https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047355
ARPathway2016 ARPathway2016_96 Trelanserin 189003-92-7 DTXSID2047355 1.0 AR Pathway Model, Agonist Model Score 0 Unitless NC(=O)CN1C(=O)C=C(CCN2CCN(CC2)C2=NC=CC3=C2C=CS3)C2=C1C=C(F)C=C2 Trelanserin 189003-92-7|Trelanserin|SL650472|UNII-QUD44MBL5S https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047355
ARPathway2016 ARPathway2016_96 Trelanserin 189003-92-7 DTXSID2047355 1.0 AR Pathway Model, Agonist Call Active Unitless NC(=O)CN1C(=O)C=C(CCN2CCN(CC2)C2=NC=CC3=C2C=CS3)C2=C1C=C(F)C=C2 Trelanserin 189003-92-7|Trelanserin|SL650472|UNII-QUD44MBL5S https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047355
ARPathway2016 ARPathway2016_96 Trelanserin 189003-92-7 DTXSID2047355 1.0 AR Pathway Model, Antagonist Call Inactive Unitless NC(=O)CN1C(=O)C=C(CCN2CCN(CC2)C2=NC=CC3=C2C=CS3)C2=C1C=C(F)C=C2 Trelanserin 189003-92-7|Trelanserin|SL650472|UNII-QUD44MBL5S https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047355
ERPathway2016 ERPathway2016_1358 Trelanserin 189003-92-7 DTXSID2047355 ER Pathway Model, Agonist Model Score 0 Unitless NC(=O)CN1C(=O)C=C(CCN2CCN(CC2)C2=NC=CC3=C2C=CS3)C2=C1C=C(F)C=C2 Trelanserin 189003-92-7|Trelanserin|SL650472|UNII-QUD44MBL5S https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047355
ERPathway2016 ERPathway2016_1358 Trelanserin 189003-92-7 DTXSID2047355 ER Pathway Model, Antagonist Model Score 0 Unitless NC(=O)CN1C(=O)C=C(CCN2CCN(CC2)C2=NC=CC3=C2C=CS3)C2=C1C=C(F)C=C2 Trelanserin 189003-92-7|Trelanserin|SL650472|UNII-QUD44MBL5S https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047355
ERPathway2016 ERPathway2016_1358 Trelanserin 189003-92-7 DTXSID2047355 ER Pathway Model, Agonist Call Inactive Unitless NC(=O)CN1C(=O)C=C(CCN2CCN(CC2)C2=NC=CC3=C2C=CS3)C2=C1C=C(F)C=C2 Trelanserin 189003-92-7|Trelanserin|SL650472|UNII-QUD44MBL5S https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047355
ERPathway2016 ERPathway2016_1358 Trelanserin 189003-92-7 DTXSID2047355 ER Pathway Model, Antagonist Call Inactive Unitless NC(=O)CN1C(=O)C=C(CCN2CCN(CC2)C2=NC=CC3=C2C=CS3)C2=C1C=C(F)C=C2 Trelanserin 189003-92-7|Trelanserin|SL650472|UNII-QUD44MBL5S https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047355
ARPathway2016 ARPathway2016_428 Triacetin 102-76-1 DTXSID3026691 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OCC(COC(C)=O)OC(C)=O Triacetin 102-76-1|Triacetin|1,2,3-Propanetriol triacetate|1,2,3-Propanetriol, 1,2,3-triacetate|1,2,3-Propanetriol, triacetate|1,2,3-Propanetriyl triacetate|1,2,3-Triacetoxypropane|1,2,3-triacetylglycerol|2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate|4-02-00-00253|Acetin, tri|Acetin, tri-|BRN 1792353|E 1518|E-1518|E1518|Edenor GTA|EINECS 203-051-9|Enzactin|FEMA No. 2007|FEMA Number 2007|Fungacetin|Glycerin triacetate|GLYCERIN-TRIACETAT|Glycerol triacetate|Glyceryl triacetate|Kesscoflex TRA|Kodaflex triacetin|NSC 4796|Priacetin 1580|Priacetin 1581|TRIACETATE, 1,2,3-PROPANETRIYL|TRIACETIN, KOSHER|triacetina|Triacetine|Triacetinum|Triacetyl glycerin|Triacetyl glycerine|Triacetylglycerin|Triacetylglycerol|Ujostabil|UNII-XHX3C3X673|2102168-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026691 https://doi.org/10.22427/NTP-DATA-DTXSID3026691
ARPathway2016 ARPathway2016_428 Triacetin 102-76-1 DTXSID3026691 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)OCC(COC(C)=O)OC(C)=O Triacetin 102-76-1|Triacetin|1,2,3-Propanetriol triacetate|1,2,3-Propanetriol, 1,2,3-triacetate|1,2,3-Propanetriol, triacetate|1,2,3-Propanetriyl triacetate|1,2,3-Triacetoxypropane|1,2,3-triacetylglycerol|2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate|4-02-00-00253|Acetin, tri|Acetin, tri-|BRN 1792353|E 1518|E-1518|E1518|Edenor GTA|EINECS 203-051-9|Enzactin|FEMA No. 2007|FEMA Number 2007|Fungacetin|Glycerin triacetate|GLYCERIN-TRIACETAT|Glycerol triacetate|Glyceryl triacetate|Kesscoflex TRA|Kodaflex triacetin|NSC 4796|Priacetin 1580|Priacetin 1581|TRIACETATE, 1,2,3-PROPANETRIYL|TRIACETIN, KOSHER|triacetina|Triacetine|Triacetinum|Triacetyl glycerin|Triacetyl glycerine|Triacetylglycerin|Triacetylglycerol|Ujostabil|UNII-XHX3C3X673|2102168-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026691 https://doi.org/10.22427/NTP-DATA-DTXSID3026691
ARPathway2016 ARPathway2016_428 Triacetin 102-76-1 DTXSID3026691 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)OCC(COC(C)=O)OC(C)=O Triacetin 102-76-1|Triacetin|1,2,3-Propanetriol triacetate|1,2,3-Propanetriol, 1,2,3-triacetate|1,2,3-Propanetriol, triacetate|1,2,3-Propanetriyl triacetate|1,2,3-Triacetoxypropane|1,2,3-triacetylglycerol|2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate|4-02-00-00253|Acetin, tri|Acetin, tri-|BRN 1792353|E 1518|E-1518|E1518|Edenor GTA|EINECS 203-051-9|Enzactin|FEMA No. 2007|FEMA Number 2007|Fungacetin|Glycerin triacetate|GLYCERIN-TRIACETAT|Glycerol triacetate|Glyceryl triacetate|Kesscoflex TRA|Kodaflex triacetin|NSC 4796|Priacetin 1580|Priacetin 1581|TRIACETATE, 1,2,3-PROPANETRIYL|TRIACETIN, KOSHER|triacetina|Triacetine|Triacetinum|Triacetyl glycerin|Triacetyl glycerine|Triacetylglycerin|Triacetylglycerol|Ujostabil|UNII-XHX3C3X673|2102168-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026691 https://doi.org/10.22427/NTP-DATA-DTXSID3026691
ARPathway2016 ARPathway2016_428 Triacetin 102-76-1 DTXSID3026691 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)OCC(COC(C)=O)OC(C)=O Triacetin 102-76-1|Triacetin|1,2,3-Propanetriol triacetate|1,2,3-Propanetriol, 1,2,3-triacetate|1,2,3-Propanetriol, triacetate|1,2,3-Propanetriyl triacetate|1,2,3-Triacetoxypropane|1,2,3-triacetylglycerol|2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate|4-02-00-00253|Acetin, tri|Acetin, tri-|BRN 1792353|E 1518|E-1518|E1518|Edenor GTA|EINECS 203-051-9|Enzactin|FEMA No. 2007|FEMA Number 2007|Fungacetin|Glycerin triacetate|GLYCERIN-TRIACETAT|Glycerol triacetate|Glyceryl triacetate|Kesscoflex TRA|Kodaflex triacetin|NSC 4796|Priacetin 1580|Priacetin 1581|TRIACETATE, 1,2,3-PROPANETRIYL|TRIACETIN, KOSHER|triacetina|Triacetine|Triacetinum|Triacetyl glycerin|Triacetyl glycerine|Triacetylglycerin|Triacetylglycerol|Ujostabil|UNII-XHX3C3X673|2102168-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026691 https://doi.org/10.22427/NTP-DATA-DTXSID3026691
ERPathway2016 ERPathway2016_349 Triacetin 102-76-1 DTXSID3026691 ER Pathway Model, Antagonist AC50 39.309013970844 uM CC(=O)OCC(COC(C)=O)OC(C)=O Triacetin 102-76-1|Triacetin|1,2,3-Propanetriol triacetate|1,2,3-Propanetriol, 1,2,3-triacetate|1,2,3-Propanetriol, triacetate|1,2,3-Propanetriyl triacetate|1,2,3-Triacetoxypropane|1,2,3-triacetylglycerol|2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate|4-02-00-00253|Acetin, tri|Acetin, tri-|BRN 1792353|E 1518|E-1518|E1518|Edenor GTA|EINECS 203-051-9|Enzactin|FEMA No. 2007|FEMA Number 2007|Fungacetin|Glycerin triacetate|GLYCERIN-TRIACETAT|Glycerol triacetate|Glyceryl triacetate|Kesscoflex TRA|Kodaflex triacetin|NSC 4796|Priacetin 1580|Priacetin 1581|TRIACETATE, 1,2,3-PROPANETRIYL|TRIACETIN, KOSHER|triacetina|Triacetine|Triacetinum|Triacetyl glycerin|Triacetyl glycerine|Triacetylglycerin|Triacetylglycerol|Ujostabil|UNII-XHX3C3X673|2102168-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026691 https://doi.org/10.22427/NTP-DATA-DTXSID3026691
ERPathway2016 ERPathway2016_349 Triacetin 102-76-1 DTXSID3026691 ER Pathway Model, Antagonist ACC 33.120960836374 uM CC(=O)OCC(COC(C)=O)OC(C)=O Triacetin 102-76-1|Triacetin|1,2,3-Propanetriol triacetate|1,2,3-Propanetriol, 1,2,3-triacetate|1,2,3-Propanetriol, triacetate|1,2,3-Propanetriyl triacetate|1,2,3-Triacetoxypropane|1,2,3-triacetylglycerol|2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate|4-02-00-00253|Acetin, tri|Acetin, tri-|BRN 1792353|E 1518|E-1518|E1518|Edenor GTA|EINECS 203-051-9|Enzactin|FEMA No. 2007|FEMA Number 2007|Fungacetin|Glycerin triacetate|GLYCERIN-TRIACETAT|Glycerol triacetate|Glyceryl triacetate|Kesscoflex TRA|Kodaflex triacetin|NSC 4796|Priacetin 1580|Priacetin 1581|TRIACETATE, 1,2,3-PROPANETRIYL|TRIACETIN, KOSHER|triacetina|Triacetine|Triacetinum|Triacetyl glycerin|Triacetyl glycerine|Triacetylglycerin|Triacetylglycerol|Ujostabil|UNII-XHX3C3X673|2102168-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026691 https://doi.org/10.22427/NTP-DATA-DTXSID3026691
ERPathway2016 ERPathway2016_349 Triacetin 102-76-1 DTXSID3026691 ER Pathway Model, Agonist Model Score 0.0182 Unitless CC(=O)OCC(COC(C)=O)OC(C)=O Triacetin 102-76-1|Triacetin|1,2,3-Propanetriol triacetate|1,2,3-Propanetriol, 1,2,3-triacetate|1,2,3-Propanetriol, triacetate|1,2,3-Propanetriyl triacetate|1,2,3-Triacetoxypropane|1,2,3-triacetylglycerol|2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate|4-02-00-00253|Acetin, tri|Acetin, tri-|BRN 1792353|E 1518|E-1518|E1518|Edenor GTA|EINECS 203-051-9|Enzactin|FEMA No. 2007|FEMA Number 2007|Fungacetin|Glycerin triacetate|GLYCERIN-TRIACETAT|Glycerol triacetate|Glyceryl triacetate|Kesscoflex TRA|Kodaflex triacetin|NSC 4796|Priacetin 1580|Priacetin 1581|TRIACETATE, 1,2,3-PROPANETRIYL|TRIACETIN, KOSHER|triacetina|Triacetine|Triacetinum|Triacetyl glycerin|Triacetyl glycerine|Triacetylglycerin|Triacetylglycerol|Ujostabil|UNII-XHX3C3X673|2102168-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026691 https://doi.org/10.22427/NTP-DATA-DTXSID3026691
ERPathway2016 ERPathway2016_349 Triacetin 102-76-1 DTXSID3026691 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OCC(COC(C)=O)OC(C)=O Triacetin 102-76-1|Triacetin|1,2,3-Propanetriol triacetate|1,2,3-Propanetriol, 1,2,3-triacetate|1,2,3-Propanetriol, triacetate|1,2,3-Propanetriyl triacetate|1,2,3-Triacetoxypropane|1,2,3-triacetylglycerol|2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate|4-02-00-00253|Acetin, tri|Acetin, tri-|BRN 1792353|E 1518|E-1518|E1518|Edenor GTA|EINECS 203-051-9|Enzactin|FEMA No. 2007|FEMA Number 2007|Fungacetin|Glycerin triacetate|GLYCERIN-TRIACETAT|Glycerol triacetate|Glyceryl triacetate|Kesscoflex TRA|Kodaflex triacetin|NSC 4796|Priacetin 1580|Priacetin 1581|TRIACETATE, 1,2,3-PROPANETRIYL|TRIACETIN, KOSHER|triacetina|Triacetine|Triacetinum|Triacetyl glycerin|Triacetyl glycerine|Triacetylglycerin|Triacetylglycerol|Ujostabil|UNII-XHX3C3X673|2102168-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026691 https://doi.org/10.22427/NTP-DATA-DTXSID3026691
ERPathway2016 ERPathway2016_349 Triacetin 102-76-1 DTXSID3026691 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)OCC(COC(C)=O)OC(C)=O Triacetin 102-76-1|Triacetin|1,2,3-Propanetriol triacetate|1,2,3-Propanetriol, 1,2,3-triacetate|1,2,3-Propanetriol, triacetate|1,2,3-Propanetriyl triacetate|1,2,3-Triacetoxypropane|1,2,3-triacetylglycerol|2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate|4-02-00-00253|Acetin, tri|Acetin, tri-|BRN 1792353|E 1518|E-1518|E1518|Edenor GTA|EINECS 203-051-9|Enzactin|FEMA No. 2007|FEMA Number 2007|Fungacetin|Glycerin triacetate|GLYCERIN-TRIACETAT|Glycerol triacetate|Glyceryl triacetate|Kesscoflex TRA|Kodaflex triacetin|NSC 4796|Priacetin 1580|Priacetin 1581|TRIACETATE, 1,2,3-PROPANETRIYL|TRIACETIN, KOSHER|triacetina|Triacetine|Triacetinum|Triacetyl glycerin|Triacetyl glycerine|Triacetylglycerin|Triacetylglycerol|Ujostabil|UNII-XHX3C3X673|2102168-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026691 https://doi.org/10.22427/NTP-DATA-DTXSID3026691
ERPathway2016 ERPathway2016_349 Triacetin 102-76-1 DTXSID3026691 ER Pathway Model, Antagonist Call Active Unitless CC(=O)OCC(COC(C)=O)OC(C)=O Triacetin 102-76-1|Triacetin|1,2,3-Propanetriol triacetate|1,2,3-Propanetriol, 1,2,3-triacetate|1,2,3-Propanetriol, triacetate|1,2,3-Propanetriyl triacetate|1,2,3-Triacetoxypropane|1,2,3-triacetylglycerol|2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate|4-02-00-00253|Acetin, tri|Acetin, tri-|BRN 1792353|E 1518|E-1518|E1518|Edenor GTA|EINECS 203-051-9|Enzactin|FEMA No. 2007|FEMA Number 2007|Fungacetin|Glycerin triacetate|GLYCERIN-TRIACETAT|Glycerol triacetate|Glyceryl triacetate|Kesscoflex TRA|Kodaflex triacetin|NSC 4796|Priacetin 1580|Priacetin 1581|TRIACETATE, 1,2,3-PROPANETRIYL|TRIACETIN, KOSHER|triacetina|Triacetine|Triacetinum|Triacetyl glycerin|Triacetyl glycerine|Triacetylglycerin|Triacetylglycerol|Ujostabil|UNII-XHX3C3X673|2102168-03-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026691 https://doi.org/10.22427/NTP-DATA-DTXSID3026691
ARPathway2016 ARPathway2016_1203 Triadimefon 43121-43-3 DTXSID3023897 0.0 A1 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimefon 43121-43-3|Triadimefon|1-(1,2,4-Triazoyl-1)-1-(4-chloro-phenoxy)-3,3-dimethylbutanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1-H-1,2,4-triazol-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanone|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazole-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1,2,4-triazol-1-yl-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1H-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanon|1-(4-clorofenoxi)-3,3-dimetil-1-(1,2,4-triazol-1-il)butanona|1H-1,2,4-Triazole, 1-((tert-butylcarbonyl-4-chlorophenoxy)methyl)-|2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-|256-103-8|5-26-01-00123|Azocene|Bay MEB 6447|BAY-MEB 6447|BAY-MEB-6447|Bayleton|Bayleton 25|Bayleton 250EC|Bayleton 5DF|Bayleton 5WP|Bayleton BM|Bayleton BM gel|Bayle|1135441-18-7|119143-30-5|148227-32-1|72650-40-9|93779-51-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023897
ARPathway2016 ARPathway2016_1203 Triadimefon 43121-43-3 DTXSID3023897 0.0 A1 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimefon 43121-43-3|Triadimefon|1-(1,2,4-Triazoyl-1)-1-(4-chloro-phenoxy)-3,3-dimethylbutanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1-H-1,2,4-triazol-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanone|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazole-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1,2,4-triazol-1-yl-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1H-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanon|1-(4-clorofenoxi)-3,3-dimetil-1-(1,2,4-triazol-1-il)butanona|1H-1,2,4-Triazole, 1-((tert-butylcarbonyl-4-chlorophenoxy)methyl)-|2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-|256-103-8|5-26-01-00123|Azocene|Bay MEB 6447|BAY-MEB 6447|BAY-MEB-6447|Bayleton|Bayleton 25|Bayleton 250EC|Bayleton 5DF|Bayleton 5WP|Bayleton BM|Bayleton BM gel|Bayle|1135441-18-7|119143-30-5|148227-32-1|72650-40-9|93779-51-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023897
ARPathway2016 ARPathway2016_1203 Triadimefon 43121-43-3 DTXSID3023897 0.0 A1 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimefon 43121-43-3|Triadimefon|1-(1,2,4-Triazoyl-1)-1-(4-chloro-phenoxy)-3,3-dimethylbutanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1-H-1,2,4-triazol-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanone|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazole-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1,2,4-triazol-1-yl-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1H-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanon|1-(4-clorofenoxi)-3,3-dimetil-1-(1,2,4-triazol-1-il)butanona|1H-1,2,4-Triazole, 1-((tert-butylcarbonyl-4-chlorophenoxy)methyl)-|2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-|256-103-8|5-26-01-00123|Azocene|Bay MEB 6447|BAY-MEB 6447|BAY-MEB-6447|Bayleton|Bayleton 25|Bayleton 250EC|Bayleton 5DF|Bayleton 5WP|Bayleton BM|Bayleton BM gel|Bayle|1135441-18-7|119143-30-5|148227-32-1|72650-40-9|93779-51-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023897
ARPathway2016 ARPathway2016_1203 Triadimefon 43121-43-3 DTXSID3023897 0.0 A1 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimefon 43121-43-3|Triadimefon|1-(1,2,4-Triazoyl-1)-1-(4-chloro-phenoxy)-3,3-dimethylbutanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1-H-1,2,4-triazol-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanone|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazole-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1,2,4-triazol-1-yl-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1H-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanon|1-(4-clorofenoxi)-3,3-dimetil-1-(1,2,4-triazol-1-il)butanona|1H-1,2,4-Triazole, 1-((tert-butylcarbonyl-4-chlorophenoxy)methyl)-|2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-|256-103-8|5-26-01-00123|Azocene|Bay MEB 6447|BAY-MEB 6447|BAY-MEB-6447|Bayleton|Bayleton 25|Bayleton 250EC|Bayleton 5DF|Bayleton 5WP|Bayleton BM|Bayleton BM gel|Bayle|1135441-18-7|119143-30-5|148227-32-1|72650-40-9|93779-51-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023897
ERPathway2016 ERPathway2016_457 Triadimefon 43121-43-3 DTXSID3023897 R6 ER Pathway Model, Antagonist AC50 18.0753903730714 uM CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimefon 43121-43-3|Triadimefon|1-(1,2,4-Triazoyl-1)-1-(4-chloro-phenoxy)-3,3-dimethylbutanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1-H-1,2,4-triazol-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanone|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazole-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1,2,4-triazol-1-yl-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1H-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanon|1-(4-clorofenoxi)-3,3-dimetil-1-(1,2,4-triazol-1-il)butanona|1H-1,2,4-Triazole, 1-((tert-butylcarbonyl-4-chlorophenoxy)methyl)-|2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-|256-103-8|5-26-01-00123|Azocene|Bay MEB 6447|BAY-MEB 6447|BAY-MEB-6447|Bayleton|Bayleton 25|Bayleton 250EC|Bayleton 5DF|Bayleton 5WP|Bayleton BM|Bayleton BM gel|Bayle|1135441-18-7|119143-30-5|148227-32-1|72650-40-9|93779-51-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023897
ERPathway2016 ERPathway2016_457 Triadimefon 43121-43-3 DTXSID3023897 R6 ER Pathway Model, Antagonist ACC 12.1173797411244 uM CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimefon 43121-43-3|Triadimefon|1-(1,2,4-Triazoyl-1)-1-(4-chloro-phenoxy)-3,3-dimethylbutanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1-H-1,2,4-triazol-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanone|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazole-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1,2,4-triazol-1-yl-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1H-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanon|1-(4-clorofenoxi)-3,3-dimetil-1-(1,2,4-triazol-1-il)butanona|1H-1,2,4-Triazole, 1-((tert-butylcarbonyl-4-chlorophenoxy)methyl)-|2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-|256-103-8|5-26-01-00123|Azocene|Bay MEB 6447|BAY-MEB 6447|BAY-MEB-6447|Bayleton|Bayleton 25|Bayleton 250EC|Bayleton 5DF|Bayleton 5WP|Bayleton BM|Bayleton BM gel|Bayle|1135441-18-7|119143-30-5|148227-32-1|72650-40-9|93779-51-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023897
ERPathway2016 ERPathway2016_457 Triadimefon 43121-43-3 DTXSID3023897 R6 ER Pathway Model, Agonist Model Score 0.0039 Unitless CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimefon 43121-43-3|Triadimefon|1-(1,2,4-Triazoyl-1)-1-(4-chloro-phenoxy)-3,3-dimethylbutanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1-H-1,2,4-triazol-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanone|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazole-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1,2,4-triazol-1-yl-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1H-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanon|1-(4-clorofenoxi)-3,3-dimetil-1-(1,2,4-triazol-1-il)butanona|1H-1,2,4-Triazole, 1-((tert-butylcarbonyl-4-chlorophenoxy)methyl)-|2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-|256-103-8|5-26-01-00123|Azocene|Bay MEB 6447|BAY-MEB 6447|BAY-MEB-6447|Bayleton|Bayleton 25|Bayleton 250EC|Bayleton 5DF|Bayleton 5WP|Bayleton BM|Bayleton BM gel|Bayle|1135441-18-7|119143-30-5|148227-32-1|72650-40-9|93779-51-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023897
ERPathway2016 ERPathway2016_457 Triadimefon 43121-43-3 DTXSID3023897 R6 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimefon 43121-43-3|Triadimefon|1-(1,2,4-Triazoyl-1)-1-(4-chloro-phenoxy)-3,3-dimethylbutanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1-H-1,2,4-triazol-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanone|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazole-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1,2,4-triazol-1-yl-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1H-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanon|1-(4-clorofenoxi)-3,3-dimetil-1-(1,2,4-triazol-1-il)butanona|1H-1,2,4-Triazole, 1-((tert-butylcarbonyl-4-chlorophenoxy)methyl)-|2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-|256-103-8|5-26-01-00123|Azocene|Bay MEB 6447|BAY-MEB 6447|BAY-MEB-6447|Bayleton|Bayleton 25|Bayleton 250EC|Bayleton 5DF|Bayleton 5WP|Bayleton BM|Bayleton BM gel|Bayle|1135441-18-7|119143-30-5|148227-32-1|72650-40-9|93779-51-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023897
ERPathway2016 ERPathway2016_457 Triadimefon 43121-43-3 DTXSID3023897 R6 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimefon 43121-43-3|Triadimefon|1-(1,2,4-Triazoyl-1)-1-(4-chloro-phenoxy)-3,3-dimethylbutanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1-H-1,2,4-triazol-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanone|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazole-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1,2,4-triazol-1-yl-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1H-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanon|1-(4-clorofenoxi)-3,3-dimetil-1-(1,2,4-triazol-1-il)butanona|1H-1,2,4-Triazole, 1-((tert-butylcarbonyl-4-chlorophenoxy)methyl)-|2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-|256-103-8|5-26-01-00123|Azocene|Bay MEB 6447|BAY-MEB 6447|BAY-MEB-6447|Bayleton|Bayleton 25|Bayleton 250EC|Bayleton 5DF|Bayleton 5WP|Bayleton BM|Bayleton BM gel|Bayle|1135441-18-7|119143-30-5|148227-32-1|72650-40-9|93779-51-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023897
ERPathway2016 ERPathway2016_457 Triadimefon 43121-43-3 DTXSID3023897 R6 ER Pathway Model, Antagonist Call Active Unitless CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimefon 43121-43-3|Triadimefon|1-(1,2,4-Triazoyl-1)-1-(4-chloro-phenoxy)-3,3-dimethylbutanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1-H-1,2,4-triazol-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanone|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazole-1-yl)butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1,2,4-triazol-1-yl-2-butanone|1-(4-Chlorophenoxy)-3,3-dimethyl-1H-(1,2,4-triazol-1-yl)-2-butanone|1-(4-Chlorphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanon|1-(4-clorofenoxi)-3,3-dimetil-1-(1,2,4-triazol-1-il)butanona|1H-1,2,4-Triazole, 1-((tert-butylcarbonyl-4-chlorophenoxy)methyl)-|2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-|256-103-8|5-26-01-00123|Azocene|Bay MEB 6447|BAY-MEB 6447|BAY-MEB-6447|Bayleton|Bayleton 25|Bayleton 250EC|Bayleton 5DF|Bayleton 5WP|Bayleton BM|Bayleton BM gel|Bayle|1135441-18-7|119143-30-5|148227-32-1|72650-40-9|93779-51-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3023897
ARPathway2016 ARPathway2016_1315 Triadimenol 55219-65-3 DTXSID0032493 0.0 R3 AR Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimenol 55219-65-3|Triadimenol|(1RS,2RS,1RS,2SR)-1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, b-(4-chlorophenoxy)-a-(1,1-dimethylethyl)-|2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol|alpha-tert-butyl-beta-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|Bay kwg 0519|Bayfidan|Bayfidan EW|Bayfrdan EW|Baytan TF 3479B|beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|Caswell No. 074A|EINECS 259-537-6|EPA Pesticide Chemical Code 127201|Photon 60GR|Spinnaker|Triafol|Triaphol|Tridan Fungicide|UNII-NFR7MRD9NM|a-terc-butil-b-(4-clorofenoxi)-1H-1,2,4-triazol-1-etanol|a-tert-butyl-b-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|a-tert-Butyl-b-(4-chlorphenoxy)-1H-1,2,4-triazol-1-ethanol|b-(4-Chlorophenoxy)-a-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|112961-06-5|1135441-19-8|131733-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032493
ARPathway2016 ARPathway2016_1315 Triadimenol 55219-65-3 DTXSID0032493 0.0 R3 AR Pathway Model, Agonist Model Score 0 Unitless CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimenol 55219-65-3|Triadimenol|(1RS,2RS,1RS,2SR)-1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, b-(4-chlorophenoxy)-a-(1,1-dimethylethyl)-|2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol|alpha-tert-butyl-beta-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|Bay kwg 0519|Bayfidan|Bayfidan EW|Bayfrdan EW|Baytan TF 3479B|beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|Caswell No. 074A|EINECS 259-537-6|EPA Pesticide Chemical Code 127201|Photon 60GR|Spinnaker|Triafol|Triaphol|Tridan Fungicide|UNII-NFR7MRD9NM|a-terc-butil-b-(4-clorofenoxi)-1H-1,2,4-triazol-1-etanol|a-tert-butyl-b-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|a-tert-Butyl-b-(4-chlorphenoxy)-1H-1,2,4-triazol-1-ethanol|b-(4-Chlorophenoxy)-a-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|112961-06-5|1135441-19-8|131733-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032493
ARPathway2016 ARPathway2016_1315 Triadimenol 55219-65-3 DTXSID0032493 0.0 R3 AR Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimenol 55219-65-3|Triadimenol|(1RS,2RS,1RS,2SR)-1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, b-(4-chlorophenoxy)-a-(1,1-dimethylethyl)-|2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol|alpha-tert-butyl-beta-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|Bay kwg 0519|Bayfidan|Bayfidan EW|Bayfrdan EW|Baytan TF 3479B|beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|Caswell No. 074A|EINECS 259-537-6|EPA Pesticide Chemical Code 127201|Photon 60GR|Spinnaker|Triafol|Triaphol|Tridan Fungicide|UNII-NFR7MRD9NM|a-terc-butil-b-(4-clorofenoxi)-1H-1,2,4-triazol-1-etanol|a-tert-butyl-b-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|a-tert-Butyl-b-(4-chlorphenoxy)-1H-1,2,4-triazol-1-ethanol|b-(4-Chlorophenoxy)-a-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|112961-06-5|1135441-19-8|131733-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032493
ARPathway2016 ARPathway2016_1315 Triadimenol 55219-65-3 DTXSID0032493 0.0 R3 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimenol 55219-65-3|Triadimenol|(1RS,2RS,1RS,2SR)-1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, b-(4-chlorophenoxy)-a-(1,1-dimethylethyl)-|2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol|alpha-tert-butyl-beta-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|Bay kwg 0519|Bayfidan|Bayfidan EW|Bayfrdan EW|Baytan TF 3479B|beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|Caswell No. 074A|EINECS 259-537-6|EPA Pesticide Chemical Code 127201|Photon 60GR|Spinnaker|Triafol|Triaphol|Tridan Fungicide|UNII-NFR7MRD9NM|a-terc-butil-b-(4-clorofenoxi)-1H-1,2,4-triazol-1-etanol|a-tert-butyl-b-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|a-tert-Butyl-b-(4-chlorphenoxy)-1H-1,2,4-triazol-1-ethanol|b-(4-Chlorophenoxy)-a-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|112961-06-5|1135441-19-8|131733-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032493
ERPathway2016 ERPathway2016_344 Triadimenol 55219-65-3 DTXSID0032493 ER Pathway Model, Antagonist AC50 52.5080956724467 uM CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimenol 55219-65-3|Triadimenol|(1RS,2RS,1RS,2SR)-1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, b-(4-chlorophenoxy)-a-(1,1-dimethylethyl)-|2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol|alpha-tert-butyl-beta-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|Bay kwg 0519|Bayfidan|Bayfidan EW|Bayfrdan EW|Baytan TF 3479B|beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|Caswell No. 074A|EINECS 259-537-6|EPA Pesticide Chemical Code 127201|Photon 60GR|Spinnaker|Triafol|Triaphol|Tridan Fungicide|UNII-NFR7MRD9NM|a-terc-butil-b-(4-clorofenoxi)-1H-1,2,4-triazol-1-etanol|a-tert-butyl-b-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|a-tert-Butyl-b-(4-chlorphenoxy)-1H-1,2,4-triazol-1-ethanol|b-(4-Chlorophenoxy)-a-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|112961-06-5|1135441-19-8|131733-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032493
ERPathway2016 ERPathway2016_344 Triadimenol 55219-65-3 DTXSID0032493 ER Pathway Model, Antagonist ACC 33.1582035308549 uM CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimenol 55219-65-3|Triadimenol|(1RS,2RS,1RS,2SR)-1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, b-(4-chlorophenoxy)-a-(1,1-dimethylethyl)-|2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol|alpha-tert-butyl-beta-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|Bay kwg 0519|Bayfidan|Bayfidan EW|Bayfrdan EW|Baytan TF 3479B|beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|Caswell No. 074A|EINECS 259-537-6|EPA Pesticide Chemical Code 127201|Photon 60GR|Spinnaker|Triafol|Triaphol|Tridan Fungicide|UNII-NFR7MRD9NM|a-terc-butil-b-(4-clorofenoxi)-1H-1,2,4-triazol-1-etanol|a-tert-butyl-b-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|a-tert-Butyl-b-(4-chlorphenoxy)-1H-1,2,4-triazol-1-ethanol|b-(4-Chlorophenoxy)-a-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|112961-06-5|1135441-19-8|131733-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032493
ERPathway2016 ERPathway2016_344 Triadimenol 55219-65-3 DTXSID0032493 ER Pathway Model, Agonist Model Score 0.0188 Unitless CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimenol 55219-65-3|Triadimenol|(1RS,2RS,1RS,2SR)-1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, b-(4-chlorophenoxy)-a-(1,1-dimethylethyl)-|2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol|alpha-tert-butyl-beta-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|Bay kwg 0519|Bayfidan|Bayfidan EW|Bayfrdan EW|Baytan TF 3479B|beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|Caswell No. 074A|EINECS 259-537-6|EPA Pesticide Chemical Code 127201|Photon 60GR|Spinnaker|Triafol|Triaphol|Tridan Fungicide|UNII-NFR7MRD9NM|a-terc-butil-b-(4-clorofenoxi)-1H-1,2,4-triazol-1-etanol|a-tert-butyl-b-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|a-tert-Butyl-b-(4-chlorphenoxy)-1H-1,2,4-triazol-1-ethanol|b-(4-Chlorophenoxy)-a-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|112961-06-5|1135441-19-8|131733-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032493
ERPathway2016 ERPathway2016_344 Triadimenol 55219-65-3 DTXSID0032493 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimenol 55219-65-3|Triadimenol|(1RS,2RS,1RS,2SR)-1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, b-(4-chlorophenoxy)-a-(1,1-dimethylethyl)-|2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol|alpha-tert-butyl-beta-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|Bay kwg 0519|Bayfidan|Bayfidan EW|Bayfrdan EW|Baytan TF 3479B|beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|Caswell No. 074A|EINECS 259-537-6|EPA Pesticide Chemical Code 127201|Photon 60GR|Spinnaker|Triafol|Triaphol|Tridan Fungicide|UNII-NFR7MRD9NM|a-terc-butil-b-(4-clorofenoxi)-1H-1,2,4-triazol-1-etanol|a-tert-butyl-b-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|a-tert-Butyl-b-(4-chlorphenoxy)-1H-1,2,4-triazol-1-ethanol|b-(4-Chlorophenoxy)-a-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|112961-06-5|1135441-19-8|131733-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032493
ERPathway2016 ERPathway2016_344 Triadimenol 55219-65-3 DTXSID0032493 ER Pathway Model, Agonist Call Inactive Unitless CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimenol 55219-65-3|Triadimenol|(1RS,2RS,1RS,2SR)-1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, b-(4-chlorophenoxy)-a-(1,1-dimethylethyl)-|2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol|alpha-tert-butyl-beta-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|Bay kwg 0519|Bayfidan|Bayfidan EW|Bayfrdan EW|Baytan TF 3479B|beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|Caswell No. 074A|EINECS 259-537-6|EPA Pesticide Chemical Code 127201|Photon 60GR|Spinnaker|Triafol|Triaphol|Tridan Fungicide|UNII-NFR7MRD9NM|a-terc-butil-b-(4-clorofenoxi)-1H-1,2,4-triazol-1-etanol|a-tert-butyl-b-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|a-tert-Butyl-b-(4-chlorphenoxy)-1H-1,2,4-triazol-1-ethanol|b-(4-Chlorophenoxy)-a-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|112961-06-5|1135441-19-8|131733-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032493
ERPathway2016 ERPathway2016_344 Triadimenol 55219-65-3 DTXSID0032493 ER Pathway Model, Antagonist Call Active Unitless CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1 Triadimenol 55219-65-3|Triadimenol|(1RS,2RS,1RS,2SR)-1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|1H-1,2,4-Triazole-1-ethanol, b-(4-chlorophenoxy)-a-(1,1-dimethylethyl)-|2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol|alpha-tert-butyl-beta-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|Bay kwg 0519|Bayfidan|Bayfidan EW|Bayfrdan EW|Baytan TF 3479B|beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|Caswell No. 074A|EINECS 259-537-6|EPA Pesticide Chemical Code 127201|Photon 60GR|Spinnaker|Triafol|Triaphol|Tridan Fungicide|UNII-NFR7MRD9NM|a-terc-butil-b-(4-clorofenoxi)-1H-1,2,4-triazol-1-etanol|a-tert-butyl-b-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|a-tert-Butyl-b-(4-chlorphenoxy)-1H-1,2,4-triazol-1-ethanol|b-(4-Chlorophenoxy)-a-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|112961-06-5|1135441-19-8|131733-77-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032493
ARPathway2016 ARPathway2016_116 Tri-allate 2303-17-5 DTXSID5024344 1.0 A3 AR Pathway Model, Agonist AC50 84.18226231 uM CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl Tri-allate 2303-17-5|Tri-allate|2-Propene-1-thiol, 2,3,3-trichloro-, diisopropylcarbamate|2,3,3-Trichlorallyl-N,N-(diisopropyl)-thiocarbamat|2,3,3-Trichloro-2-propene-1-thiol diisopropylcarbamate|2,3,3-Trichloroallyl diisopropylthiocarbamate|2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate|218-962-7|Avadex BW|Bis(1-methylethyl)carbamothioic acid, S-(2,3,3-trichloro-2-propenyl)ester|BRN 1875853|Carbamic acid, diisopropylthio-, S-(2,3,3-trichloroallyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl)ester|Carbamothioic acid, N,N-bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propen-1-yl) ester|Caswell No. 870A|Diisopropylthiocarbamic acid S-(2,3,3-trichloroallyl) ester|Diisopropyltrichloroallylthiocarbamate|Dipthal|EC No.: 218-962-7|EINECS 218-962-7|EPA Pesticide Chemical Code 078802|N-Diisopropylthiocarbamic acid S-2,3,3-trichloro-2-propenyl ester|N,N-Diisopropyl-2,3,3-trichlorallyl-thiolcarbamat|NSC 379698|S-(2,3,3-Trichloro-2-propenyl) bi https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024344
ARPathway2016 ARPathway2016_116 Tri-allate 2303-17-5 DTXSID5024344 1.0 A3 AR Pathway Model, Agonist ACC 97.56666357 uM CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl Tri-allate 2303-17-5|Tri-allate|2-Propene-1-thiol, 2,3,3-trichloro-, diisopropylcarbamate|2,3,3-Trichlorallyl-N,N-(diisopropyl)-thiocarbamat|2,3,3-Trichloro-2-propene-1-thiol diisopropylcarbamate|2,3,3-Trichloroallyl diisopropylthiocarbamate|2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate|218-962-7|Avadex BW|Bis(1-methylethyl)carbamothioic acid, S-(2,3,3-trichloro-2-propenyl)ester|BRN 1875853|Carbamic acid, diisopropylthio-, S-(2,3,3-trichloroallyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl)ester|Carbamothioic acid, N,N-bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propen-1-yl) ester|Caswell No. 870A|Diisopropylthiocarbamic acid S-(2,3,3-trichloroallyl) ester|Diisopropyltrichloroallylthiocarbamate|Dipthal|EC No.: 218-962-7|EINECS 218-962-7|EPA Pesticide Chemical Code 078802|N-Diisopropylthiocarbamic acid S-2,3,3-trichloro-2-propenyl ester|N,N-Diisopropyl-2,3,3-trichlorallyl-thiolcarbamat|NSC 379698|S-(2,3,3-Trichloro-2-propenyl) bi https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024344
ARPathway2016 ARPathway2016_116 Tri-allate 2303-17-5 DTXSID5024344 1.0 A3 AR Pathway Model, Antagonist Model Score 0.0119 Unitless CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl Tri-allate 2303-17-5|Tri-allate|2-Propene-1-thiol, 2,3,3-trichloro-, diisopropylcarbamate|2,3,3-Trichlorallyl-N,N-(diisopropyl)-thiocarbamat|2,3,3-Trichloro-2-propene-1-thiol diisopropylcarbamate|2,3,3-Trichloroallyl diisopropylthiocarbamate|2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate|218-962-7|Avadex BW|Bis(1-methylethyl)carbamothioic acid, S-(2,3,3-trichloro-2-propenyl)ester|BRN 1875853|Carbamic acid, diisopropylthio-, S-(2,3,3-trichloroallyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl)ester|Carbamothioic acid, N,N-bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propen-1-yl) ester|Caswell No. 870A|Diisopropylthiocarbamic acid S-(2,3,3-trichloroallyl) ester|Diisopropyltrichloroallylthiocarbamate|Dipthal|EC No.: 218-962-7|EINECS 218-962-7|EPA Pesticide Chemical Code 078802|N-Diisopropylthiocarbamic acid S-2,3,3-trichloro-2-propenyl ester|N,N-Diisopropyl-2,3,3-trichlorallyl-thiolcarbamat|NSC 379698|S-(2,3,3-Trichloro-2-propenyl) bi https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024344
ARPathway2016 ARPathway2016_116 Tri-allate 2303-17-5 DTXSID5024344 1.0 A3 AR Pathway Model, Agonist Model Score 0.006 Unitless CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl Tri-allate 2303-17-5|Tri-allate|2-Propene-1-thiol, 2,3,3-trichloro-, diisopropylcarbamate|2,3,3-Trichlorallyl-N,N-(diisopropyl)-thiocarbamat|2,3,3-Trichloro-2-propene-1-thiol diisopropylcarbamate|2,3,3-Trichloroallyl diisopropylthiocarbamate|2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate|218-962-7|Avadex BW|Bis(1-methylethyl)carbamothioic acid, S-(2,3,3-trichloro-2-propenyl)ester|BRN 1875853|Carbamic acid, diisopropylthio-, S-(2,3,3-trichloroallyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl)ester|Carbamothioic acid, N,N-bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propen-1-yl) ester|Caswell No. 870A|Diisopropylthiocarbamic acid S-(2,3,3-trichloroallyl) ester|Diisopropyltrichloroallylthiocarbamate|Dipthal|EC No.: 218-962-7|EINECS 218-962-7|EPA Pesticide Chemical Code 078802|N-Diisopropylthiocarbamic acid S-2,3,3-trichloro-2-propenyl ester|N,N-Diisopropyl-2,3,3-trichlorallyl-thiolcarbamat|NSC 379698|S-(2,3,3-Trichloro-2-propenyl) bi https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024344
ARPathway2016 ARPathway2016_116 Tri-allate 2303-17-5 DTXSID5024344 1.0 A3 AR Pathway Model, Agonist Call Active Unitless CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl Tri-allate 2303-17-5|Tri-allate|2-Propene-1-thiol, 2,3,3-trichloro-, diisopropylcarbamate|2,3,3-Trichlorallyl-N,N-(diisopropyl)-thiocarbamat|2,3,3-Trichloro-2-propene-1-thiol diisopropylcarbamate|2,3,3-Trichloroallyl diisopropylthiocarbamate|2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate|218-962-7|Avadex BW|Bis(1-methylethyl)carbamothioic acid, S-(2,3,3-trichloro-2-propenyl)ester|BRN 1875853|Carbamic acid, diisopropylthio-, S-(2,3,3-trichloroallyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl)ester|Carbamothioic acid, N,N-bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propen-1-yl) ester|Caswell No. 870A|Diisopropylthiocarbamic acid S-(2,3,3-trichloroallyl) ester|Diisopropyltrichloroallylthiocarbamate|Dipthal|EC No.: 218-962-7|EINECS 218-962-7|EPA Pesticide Chemical Code 078802|N-Diisopropylthiocarbamic acid S-2,3,3-trichloro-2-propenyl ester|N,N-Diisopropyl-2,3,3-trichlorallyl-thiolcarbamat|NSC 379698|S-(2,3,3-Trichloro-2-propenyl) bi https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024344
ARPathway2016 ARPathway2016_116 Tri-allate 2303-17-5 DTXSID5024344 1.0 A3 AR Pathway Model, Antagonist Call Inactive Unitless CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl Tri-allate 2303-17-5|Tri-allate|2-Propene-1-thiol, 2,3,3-trichloro-, diisopropylcarbamate|2,3,3-Trichlorallyl-N,N-(diisopropyl)-thiocarbamat|2,3,3-Trichloro-2-propene-1-thiol diisopropylcarbamate|2,3,3-Trichloroallyl diisopropylthiocarbamate|2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate|218-962-7|Avadex BW|Bis(1-methylethyl)carbamothioic acid, S-(2,3,3-trichloro-2-propenyl)ester|BRN 1875853|Carbamic acid, diisopropylthio-, S-(2,3,3-trichloroallyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl)ester|Carbamothioic acid, N,N-bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propen-1-yl) ester|Caswell No. 870A|Diisopropylthiocarbamic acid S-(2,3,3-trichloroallyl) ester|Diisopropyltrichloroallylthiocarbamate|Dipthal|EC No.: 218-962-7|EINECS 218-962-7|EPA Pesticide Chemical Code 078802|N-Diisopropylthiocarbamic acid S-2,3,3-trichloro-2-propenyl ester|N,N-Diisopropyl-2,3,3-trichlorallyl-thiolcarbamat|NSC 379698|S-(2,3,3-Trichloro-2-propenyl) bi https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024344
ERPathway2016 ERPathway2016_839 Tri-allate 2303-17-5 DTXSID5024344 ER Pathway Model, Agonist Model Score 0 Unitless CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl Tri-allate 2303-17-5|Tri-allate|2-Propene-1-thiol, 2,3,3-trichloro-, diisopropylcarbamate|2,3,3-Trichlorallyl-N,N-(diisopropyl)-thiocarbamat|2,3,3-Trichloro-2-propene-1-thiol diisopropylcarbamate|2,3,3-Trichloroallyl diisopropylthiocarbamate|2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate|218-962-7|Avadex BW|Bis(1-methylethyl)carbamothioic acid, S-(2,3,3-trichloro-2-propenyl)ester|BRN 1875853|Carbamic acid, diisopropylthio-, S-(2,3,3-trichloroallyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl)ester|Carbamothioic acid, N,N-bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propen-1-yl) ester|Caswell No. 870A|Diisopropylthiocarbamic acid S-(2,3,3-trichloroallyl) ester|Diisopropyltrichloroallylthiocarbamate|Dipthal|EC No.: 218-962-7|EINECS 218-962-7|EPA Pesticide Chemical Code 078802|N-Diisopropylthiocarbamic acid S-2,3,3-trichloro-2-propenyl ester|N,N-Diisopropyl-2,3,3-trichlorallyl-thiolcarbamat|NSC 379698|S-(2,3,3-Trichloro-2-propenyl) bi https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024344
ERPathway2016 ERPathway2016_839 Tri-allate 2303-17-5 DTXSID5024344 ER Pathway Model, Antagonist Model Score 0 Unitless CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl Tri-allate 2303-17-5|Tri-allate|2-Propene-1-thiol, 2,3,3-trichloro-, diisopropylcarbamate|2,3,3-Trichlorallyl-N,N-(diisopropyl)-thiocarbamat|2,3,3-Trichloro-2-propene-1-thiol diisopropylcarbamate|2,3,3-Trichloroallyl diisopropylthiocarbamate|2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate|218-962-7|Avadex BW|Bis(1-methylethyl)carbamothioic acid, S-(2,3,3-trichloro-2-propenyl)ester|BRN 1875853|Carbamic acid, diisopropylthio-, S-(2,3,3-trichloroallyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl)ester|Carbamothioic acid, N,N-bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propen-1-yl) ester|Caswell No. 870A|Diisopropylthiocarbamic acid S-(2,3,3-trichloroallyl) ester|Diisopropyltrichloroallylthiocarbamate|Dipthal|EC No.: 218-962-7|EINECS 218-962-7|EPA Pesticide Chemical Code 078802|N-Diisopropylthiocarbamic acid S-2,3,3-trichloro-2-propenyl ester|N,N-Diisopropyl-2,3,3-trichlorallyl-thiolcarbamat|NSC 379698|S-(2,3,3-Trichloro-2-propenyl) bi https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024344
ERPathway2016 ERPathway2016_839 Tri-allate 2303-17-5 DTXSID5024344 ER Pathway Model, Agonist Call Inactive Unitless CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl Tri-allate 2303-17-5|Tri-allate|2-Propene-1-thiol, 2,3,3-trichloro-, diisopropylcarbamate|2,3,3-Trichlorallyl-N,N-(diisopropyl)-thiocarbamat|2,3,3-Trichloro-2-propene-1-thiol diisopropylcarbamate|2,3,3-Trichloroallyl diisopropylthiocarbamate|2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate|218-962-7|Avadex BW|Bis(1-methylethyl)carbamothioic acid, S-(2,3,3-trichloro-2-propenyl)ester|BRN 1875853|Carbamic acid, diisopropylthio-, S-(2,3,3-trichloroallyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl)ester|Carbamothioic acid, N,N-bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propen-1-yl) ester|Caswell No. 870A|Diisopropylthiocarbamic acid S-(2,3,3-trichloroallyl) ester|Diisopropyltrichloroallylthiocarbamate|Dipthal|EC No.: 218-962-7|EINECS 218-962-7|EPA Pesticide Chemical Code 078802|N-Diisopropylthiocarbamic acid S-2,3,3-trichloro-2-propenyl ester|N,N-Diisopropyl-2,3,3-trichlorallyl-thiolcarbamat|NSC 379698|S-(2,3,3-Trichloro-2-propenyl) bi https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024344
ERPathway2016 ERPathway2016_839 Tri-allate 2303-17-5 DTXSID5024344 ER Pathway Model, Antagonist Call Inactive Unitless CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl Tri-allate 2303-17-5|Tri-allate|2-Propene-1-thiol, 2,3,3-trichloro-, diisopropylcarbamate|2,3,3-Trichlorallyl-N,N-(diisopropyl)-thiocarbamat|2,3,3-Trichloro-2-propene-1-thiol diisopropylcarbamate|2,3,3-Trichloroallyl diisopropylthiocarbamate|2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate|218-962-7|Avadex BW|Bis(1-methylethyl)carbamothioic acid, S-(2,3,3-trichloro-2-propenyl)ester|BRN 1875853|Carbamic acid, diisopropylthio-, S-(2,3,3-trichloroallyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl) ester|Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl)ester|Carbamothioic acid, N,N-bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propen-1-yl) ester|Caswell No. 870A|Diisopropylthiocarbamic acid S-(2,3,3-trichloroallyl) ester|Diisopropyltrichloroallylthiocarbamate|Dipthal|EC No.: 218-962-7|EINECS 218-962-7|EPA Pesticide Chemical Code 078802|N-Diisopropylthiocarbamic acid S-2,3,3-trichloro-2-propenyl ester|N,N-Diisopropyl-2,3,3-trichlorallyl-thiolcarbamat|NSC 379698|S-(2,3,3-Trichloro-2-propenyl) bi https://comptox.epa.gov/dashboard/chemical/details/DTXSID5024344
ARPathway2016 ARPathway2016_1083 Triallyl trimellitate 2694-54-4 DTXSID4044901 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C=CCOC(=O)C1=CC=C(C(=O)OCC=C)C(=C1)C(=O)OCC=C Triallyl trimellitate 2694-54-4|Triallyl trimellitate|1,2,4-Benzenetricarboxylic acid, 1,2,4-tri-2-propen-1-yl ester|1,2,4-Benzenetricarboxylic acid, tri-2-propenyl ester|1,2,4-Triallyl trimellitate|EINECS 220-264-2|Tri-2-propenyl 1,2,4-benzenetricarboxylate|Trimellitic acid triallyl ester|Triprop-2-en-1-yl benzene-1,2,4-tricarboxylate|114050-55-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044901
ARPathway2016 ARPathway2016_1083 Triallyl trimellitate 2694-54-4 DTXSID4044901 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C=CCOC(=O)C1=CC=C(C(=O)OCC=C)C(=C1)C(=O)OCC=C Triallyl trimellitate 2694-54-4|Triallyl trimellitate|1,2,4-Benzenetricarboxylic acid, 1,2,4-tri-2-propen-1-yl ester|1,2,4-Benzenetricarboxylic acid, tri-2-propenyl ester|1,2,4-Triallyl trimellitate|EINECS 220-264-2|Tri-2-propenyl 1,2,4-benzenetricarboxylate|Trimellitic acid triallyl ester|Triprop-2-en-1-yl benzene-1,2,4-tricarboxylate|114050-55-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044901
ARPathway2016 ARPathway2016_1083 Triallyl trimellitate 2694-54-4 DTXSID4044901 0.0 AR Pathway Model, Agonist Call Inactive Unitless C=CCOC(=O)C1=CC=C(C(=O)OCC=C)C(=C1)C(=O)OCC=C Triallyl trimellitate 2694-54-4|Triallyl trimellitate|1,2,4-Benzenetricarboxylic acid, 1,2,4-tri-2-propen-1-yl ester|1,2,4-Benzenetricarboxylic acid, tri-2-propenyl ester|1,2,4-Triallyl trimellitate|EINECS 220-264-2|Tri-2-propenyl 1,2,4-benzenetricarboxylate|Trimellitic acid triallyl ester|Triprop-2-en-1-yl benzene-1,2,4-tricarboxylate|114050-55-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044901
ARPathway2016 ARPathway2016_1083 Triallyl trimellitate 2694-54-4 DTXSID4044901 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C=CCOC(=O)C1=CC=C(C(=O)OCC=C)C(=C1)C(=O)OCC=C Triallyl trimellitate 2694-54-4|Triallyl trimellitate|1,2,4-Benzenetricarboxylic acid, 1,2,4-tri-2-propen-1-yl ester|1,2,4-Benzenetricarboxylic acid, tri-2-propenyl ester|1,2,4-Triallyl trimellitate|EINECS 220-264-2|Tri-2-propenyl 1,2,4-benzenetricarboxylate|Trimellitic acid triallyl ester|Triprop-2-en-1-yl benzene-1,2,4-tricarboxylate|114050-55-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044901
ERPathway2016 ERPathway2016_792 Triallyl trimellitate 2694-54-4 DTXSID4044901 ER Pathway Model, Agonist Model Score 0 Unitless C=CCOC(=O)C1=CC=C(C(=O)OCC=C)C(=C1)C(=O)OCC=C Triallyl trimellitate 2694-54-4|Triallyl trimellitate|1,2,4-Benzenetricarboxylic acid, 1,2,4-tri-2-propen-1-yl ester|1,2,4-Benzenetricarboxylic acid, tri-2-propenyl ester|1,2,4-Triallyl trimellitate|EINECS 220-264-2|Tri-2-propenyl 1,2,4-benzenetricarboxylate|Trimellitic acid triallyl ester|Triprop-2-en-1-yl benzene-1,2,4-tricarboxylate|114050-55-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044901
ERPathway2016 ERPathway2016_792 Triallyl trimellitate 2694-54-4 DTXSID4044901 ER Pathway Model, Antagonist Model Score 0 Unitless C=CCOC(=O)C1=CC=C(C(=O)OCC=C)C(=C1)C(=O)OCC=C Triallyl trimellitate 2694-54-4|Triallyl trimellitate|1,2,4-Benzenetricarboxylic acid, 1,2,4-tri-2-propen-1-yl ester|1,2,4-Benzenetricarboxylic acid, tri-2-propenyl ester|1,2,4-Triallyl trimellitate|EINECS 220-264-2|Tri-2-propenyl 1,2,4-benzenetricarboxylate|Trimellitic acid triallyl ester|Triprop-2-en-1-yl benzene-1,2,4-tricarboxylate|114050-55-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044901
ERPathway2016 ERPathway2016_792 Triallyl trimellitate 2694-54-4 DTXSID4044901 ER Pathway Model, Agonist Call Inactive Unitless C=CCOC(=O)C1=CC=C(C(=O)OCC=C)C(=C1)C(=O)OCC=C Triallyl trimellitate 2694-54-4|Triallyl trimellitate|1,2,4-Benzenetricarboxylic acid, 1,2,4-tri-2-propen-1-yl ester|1,2,4-Benzenetricarboxylic acid, tri-2-propenyl ester|1,2,4-Triallyl trimellitate|EINECS 220-264-2|Tri-2-propenyl 1,2,4-benzenetricarboxylate|Trimellitic acid triallyl ester|Triprop-2-en-1-yl benzene-1,2,4-tricarboxylate|114050-55-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044901
ERPathway2016 ERPathway2016_792 Triallyl trimellitate 2694-54-4 DTXSID4044901 ER Pathway Model, Antagonist Call Inactive Unitless C=CCOC(=O)C1=CC=C(C(=O)OCC=C)C(=C1)C(=O)OCC=C Triallyl trimellitate 2694-54-4|Triallyl trimellitate|1,2,4-Benzenetricarboxylic acid, 1,2,4-tri-2-propen-1-yl ester|1,2,4-Benzenetricarboxylic acid, tri-2-propenyl ester|1,2,4-Triallyl trimellitate|EINECS 220-264-2|Tri-2-propenyl 1,2,4-benzenetricarboxylate|Trimellitic acid triallyl ester|Triprop-2-en-1-yl benzene-1,2,4-tricarboxylate|114050-55-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4044901
ARPathway2016 ARPathway2016_348 Triamcinolone 124-94-7 DTXSID1040742 1.0 Agonist AR Pathway Model, Antagonist ACC 9.71728430599866 uM [H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Triamcinolone 124-94-7|Triamcinolone|11-beta,16-alpha,17-alpha,21-Tetrahydroxy-9-alpha-fluoro-1,4-pregnadiene-3,20-dione|11beta,16alpha,17alpha,21-tetrahydroxy-9alpha-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-D1,4-pregnadiene-3,20-dione|4-08-00-03629|9-alpha-Fluoro-11-beta,16-alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-alpha-Fluoro-16-alpha-hydroxyprednisolone|9-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-16alpha-hydroxyprednisolone|9a-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-11b,16a,17a,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-16a-hydroxyprednisolone|Adcortyl|Aristocort|BRN 2341955|Celeste|CERAPP_12741|Cinolone|Cinolone-T|Delphic|83474-03-7|918121-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040742
ARPathway2016 ARPathway2016_348 Triamcinolone 124-94-7 DTXSID1040742 1.0 Agonist AR Pathway Model, Antagonist AC50 11.39245394 uM [H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Triamcinolone 124-94-7|Triamcinolone|11-beta,16-alpha,17-alpha,21-Tetrahydroxy-9-alpha-fluoro-1,4-pregnadiene-3,20-dione|11beta,16alpha,17alpha,21-tetrahydroxy-9alpha-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-D1,4-pregnadiene-3,20-dione|4-08-00-03629|9-alpha-Fluoro-11-beta,16-alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-alpha-Fluoro-16-alpha-hydroxyprednisolone|9-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-16alpha-hydroxyprednisolone|9a-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-11b,16a,17a,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-16a-hydroxyprednisolone|Adcortyl|Aristocort|BRN 2341955|Celeste|CERAPP_12741|Cinolone|Cinolone-T|Delphic|83474-03-7|918121-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040742
ARPathway2016 ARPathway2016_348 Triamcinolone 124-94-7 DTXSID1040742 1.0 Agonist AR Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Triamcinolone 124-94-7|Triamcinolone|11-beta,16-alpha,17-alpha,21-Tetrahydroxy-9-alpha-fluoro-1,4-pregnadiene-3,20-dione|11beta,16alpha,17alpha,21-tetrahydroxy-9alpha-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-D1,4-pregnadiene-3,20-dione|4-08-00-03629|9-alpha-Fluoro-11-beta,16-alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-alpha-Fluoro-16-alpha-hydroxyprednisolone|9-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-16alpha-hydroxyprednisolone|9a-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-11b,16a,17a,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-16a-hydroxyprednisolone|Adcortyl|Aristocort|BRN 2341955|Celeste|CERAPP_12741|Cinolone|Cinolone-T|Delphic|83474-03-7|918121-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040742
ARPathway2016 ARPathway2016_348 Triamcinolone 124-94-7 DTXSID1040742 1.0 Agonist AR Pathway Model, Agonist Model Score 0.185 Unitless [H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Triamcinolone 124-94-7|Triamcinolone|11-beta,16-alpha,17-alpha,21-Tetrahydroxy-9-alpha-fluoro-1,4-pregnadiene-3,20-dione|11beta,16alpha,17alpha,21-tetrahydroxy-9alpha-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-D1,4-pregnadiene-3,20-dione|4-08-00-03629|9-alpha-Fluoro-11-beta,16-alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-alpha-Fluoro-16-alpha-hydroxyprednisolone|9-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-16alpha-hydroxyprednisolone|9a-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-11b,16a,17a,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-16a-hydroxyprednisolone|Adcortyl|Aristocort|BRN 2341955|Celeste|CERAPP_12741|Cinolone|Cinolone-T|Delphic|83474-03-7|918121-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040742
ARPathway2016 ARPathway2016_348 Triamcinolone 124-94-7 DTXSID1040742 1.0 Agonist AR Pathway Model, Agonist Call Inactive Unitless [H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Triamcinolone 124-94-7|Triamcinolone|11-beta,16-alpha,17-alpha,21-Tetrahydroxy-9-alpha-fluoro-1,4-pregnadiene-3,20-dione|11beta,16alpha,17alpha,21-tetrahydroxy-9alpha-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-D1,4-pregnadiene-3,20-dione|4-08-00-03629|9-alpha-Fluoro-11-beta,16-alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-alpha-Fluoro-16-alpha-hydroxyprednisolone|9-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-16alpha-hydroxyprednisolone|9a-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-11b,16a,17a,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-16a-hydroxyprednisolone|Adcortyl|Aristocort|BRN 2341955|Celeste|CERAPP_12741|Cinolone|Cinolone-T|Delphic|83474-03-7|918121-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040742
ARPathway2016 ARPathway2016_348 Triamcinolone 124-94-7 DTXSID1040742 1.0 Agonist AR Pathway Model, Antagonist Call Active Unitless [H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Triamcinolone 124-94-7|Triamcinolone|11-beta,16-alpha,17-alpha,21-Tetrahydroxy-9-alpha-fluoro-1,4-pregnadiene-3,20-dione|11beta,16alpha,17alpha,21-tetrahydroxy-9alpha-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-D1,4-pregnadiene-3,20-dione|4-08-00-03629|9-alpha-Fluoro-11-beta,16-alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-alpha-Fluoro-16-alpha-hydroxyprednisolone|9-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-16alpha-hydroxyprednisolone|9a-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-11b,16a,17a,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-16a-hydroxyprednisolone|Adcortyl|Aristocort|BRN 2341955|Celeste|CERAPP_12741|Cinolone|Cinolone-T|Delphic|83474-03-7|918121-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040742
ERPathway2016 ERPathway2016_240 Triamcinolone 124-94-7 DTXSID1040742 ER Pathway Model, Antagonist AC50 30.3858118145011 uM [H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Triamcinolone 124-94-7|Triamcinolone|11-beta,16-alpha,17-alpha,21-Tetrahydroxy-9-alpha-fluoro-1,4-pregnadiene-3,20-dione|11beta,16alpha,17alpha,21-tetrahydroxy-9alpha-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-D1,4-pregnadiene-3,20-dione|4-08-00-03629|9-alpha-Fluoro-11-beta,16-alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-alpha-Fluoro-16-alpha-hydroxyprednisolone|9-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-16alpha-hydroxyprednisolone|9a-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-11b,16a,17a,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-16a-hydroxyprednisolone|Adcortyl|Aristocort|BRN 2341955|Celeste|CERAPP_12741|Cinolone|Cinolone-T|Delphic|83474-03-7|918121-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040742
ERPathway2016 ERPathway2016_240 Triamcinolone 124-94-7 DTXSID1040742 ER Pathway Model, Antagonist ACC 12.2480950916134 uM [H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Triamcinolone 124-94-7|Triamcinolone|11-beta,16-alpha,17-alpha,21-Tetrahydroxy-9-alpha-fluoro-1,4-pregnadiene-3,20-dione|11beta,16alpha,17alpha,21-tetrahydroxy-9alpha-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-D1,4-pregnadiene-3,20-dione|4-08-00-03629|9-alpha-Fluoro-11-beta,16-alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-alpha-Fluoro-16-alpha-hydroxyprednisolone|9-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-16alpha-hydroxyprednisolone|9a-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-11b,16a,17a,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-16a-hydroxyprednisolone|Adcortyl|Aristocort|BRN 2341955|Celeste|CERAPP_12741|Cinolone|Cinolone-T|Delphic|83474-03-7|918121-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040742
ERPathway2016 ERPathway2016_240 Triamcinolone 124-94-7 DTXSID1040742 ER Pathway Model, Agonist Model Score 0.0939 Unitless [H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Triamcinolone 124-94-7|Triamcinolone|11-beta,16-alpha,17-alpha,21-Tetrahydroxy-9-alpha-fluoro-1,4-pregnadiene-3,20-dione|11beta,16alpha,17alpha,21-tetrahydroxy-9alpha-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-D1,4-pregnadiene-3,20-dione|4-08-00-03629|9-alpha-Fluoro-11-beta,16-alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-alpha-Fluoro-16-alpha-hydroxyprednisolone|9-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-16alpha-hydroxyprednisolone|9a-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-11b,16a,17a,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-16a-hydroxyprednisolone|Adcortyl|Aristocort|BRN 2341955|Celeste|CERAPP_12741|Cinolone|Cinolone-T|Delphic|83474-03-7|918121-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040742
ERPathway2016 ERPathway2016_240 Triamcinolone 124-94-7 DTXSID1040742 ER Pathway Model, Antagonist Model Score 0 Unitless [H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Triamcinolone 124-94-7|Triamcinolone|11-beta,16-alpha,17-alpha,21-Tetrahydroxy-9-alpha-fluoro-1,4-pregnadiene-3,20-dione|11beta,16alpha,17alpha,21-tetrahydroxy-9alpha-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-D1,4-pregnadiene-3,20-dione|4-08-00-03629|9-alpha-Fluoro-11-beta,16-alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-alpha-Fluoro-16-alpha-hydroxyprednisolone|9-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-16alpha-hydroxyprednisolone|9a-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-11b,16a,17a,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-16a-hydroxyprednisolone|Adcortyl|Aristocort|BRN 2341955|Celeste|CERAPP_12741|Cinolone|Cinolone-T|Delphic|83474-03-7|918121-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040742
ERPathway2016 ERPathway2016_240 Triamcinolone 124-94-7 DTXSID1040742 ER Pathway Model, Agonist Call Inactive Unitless [H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Triamcinolone 124-94-7|Triamcinolone|11-beta,16-alpha,17-alpha,21-Tetrahydroxy-9-alpha-fluoro-1,4-pregnadiene-3,20-dione|11beta,16alpha,17alpha,21-tetrahydroxy-9alpha-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-D1,4-pregnadiene-3,20-dione|4-08-00-03629|9-alpha-Fluoro-11-beta,16-alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-alpha-Fluoro-16-alpha-hydroxyprednisolone|9-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-16alpha-hydroxyprednisolone|9a-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-11b,16a,17a,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-16a-hydroxyprednisolone|Adcortyl|Aristocort|BRN 2341955|Celeste|CERAPP_12741|Cinolone|Cinolone-T|Delphic|83474-03-7|918121-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040742
ERPathway2016 ERPathway2016_240 Triamcinolone 124-94-7 DTXSID1040742 ER Pathway Model, Antagonist Call Active Unitless [H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C Triamcinolone 124-94-7|Triamcinolone|11-beta,16-alpha,17-alpha,21-Tetrahydroxy-9-alpha-fluoro-1,4-pregnadiene-3,20-dione|11beta,16alpha,17alpha,21-tetrahydroxy-9alpha-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-1,4-pregnadiene-3,20-dione|11b,16a,17a,21-Tetrahydroxy-9a-fluoro-D1,4-pregnadiene-3,20-dione|4-08-00-03629|9-alpha-Fluoro-11-beta,16-alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-alpha-Fluoro-16-alpha-hydroxyprednisolone|9-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione|9alpha-fluoro-16alpha-hydroxyprednisolone|9a-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-11b,16a,17a,21-tetrahydroxypregna-1,4-diene-3,20-dione|9a-Fluoro-16a-hydroxyprednisolone|Adcortyl|Aristocort|BRN 2341955|Celeste|CERAPP_12741|Cinolone|Cinolone-T|Delphic|83474-03-7|918121-67-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1040742
ARPathway2016 ARPathway2016_1572 Tribufos 78-48-8 DTXSID1024174 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCSP(=O)(SCCCC)SCCCC Tribufos 78-48-8|Tribufos|BRN 1910992|Butifos|Butiphos|butyl phosphorotrithioate|Caswell No. 864|De-Green|DEF|DEF defoliant|E-Z-Off D|EINECS 201-120-8|EPA Pesticide Chemical Code 074801|Fos-Fall A|Fossfall|Merphos oxide|Ortho phosphate defoliant|phosphorotrithioic acid, S,S,S-tributyl ester|S,S,S-Tributyl phosphorotrithioate|S,S,S-tributyl trithiophosphate|S,S,S-Tributyltrithiofosfat|Tribuphos|tributylphosphorotrithioate|UNII-53075G8GRF https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024174
ARPathway2016 ARPathway2016_1572 Tribufos 78-48-8 DTXSID1024174 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCSP(=O)(SCCCC)SCCCC Tribufos 78-48-8|Tribufos|BRN 1910992|Butifos|Butiphos|butyl phosphorotrithioate|Caswell No. 864|De-Green|DEF|DEF defoliant|E-Z-Off D|EINECS 201-120-8|EPA Pesticide Chemical Code 074801|Fos-Fall A|Fossfall|Merphos oxide|Ortho phosphate defoliant|phosphorotrithioic acid, S,S,S-tributyl ester|S,S,S-Tributyl phosphorotrithioate|S,S,S-tributyl trithiophosphate|S,S,S-Tributyltrithiofosfat|Tribuphos|tributylphosphorotrithioate|UNII-53075G8GRF https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024174
ARPathway2016 ARPathway2016_1572 Tribufos 78-48-8 DTXSID1024174 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CCCCSP(=O)(SCCCC)SCCCC Tribufos 78-48-8|Tribufos|BRN 1910992|Butifos|Butiphos|butyl phosphorotrithioate|Caswell No. 864|De-Green|DEF|DEF defoliant|E-Z-Off D|EINECS 201-120-8|EPA Pesticide Chemical Code 074801|Fos-Fall A|Fossfall|Merphos oxide|Ortho phosphate defoliant|phosphorotrithioic acid, S,S,S-tributyl ester|S,S,S-Tributyl phosphorotrithioate|S,S,S-tributyl trithiophosphate|S,S,S-Tributyltrithiofosfat|Tribuphos|tributylphosphorotrithioate|UNII-53075G8GRF https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024174
ARPathway2016 ARPathway2016_1572 Tribufos 78-48-8 DTXSID1024174 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCSP(=O)(SCCCC)SCCCC Tribufos 78-48-8|Tribufos|BRN 1910992|Butifos|Butiphos|butyl phosphorotrithioate|Caswell No. 864|De-Green|DEF|DEF defoliant|E-Z-Off D|EINECS 201-120-8|EPA Pesticide Chemical Code 074801|Fos-Fall A|Fossfall|Merphos oxide|Ortho phosphate defoliant|phosphorotrithioic acid, S,S,S-tributyl ester|S,S,S-Tributyl phosphorotrithioate|S,S,S-tributyl trithiophosphate|S,S,S-Tributyltrithiofosfat|Tribuphos|tributylphosphorotrithioate|UNII-53075G8GRF https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024174
ERPathway2016 ERPathway2016_540 Tribufos 78-48-8 DTXSID1024174 ER Pathway Model, Agonist Model Score 0 Unitless CCCCSP(=O)(SCCCC)SCCCC Tribufos 78-48-8|Tribufos|BRN 1910992|Butifos|Butiphos|butyl phosphorotrithioate|Caswell No. 864|De-Green|DEF|DEF defoliant|E-Z-Off D|EINECS 201-120-8|EPA Pesticide Chemical Code 074801|Fos-Fall A|Fossfall|Merphos oxide|Ortho phosphate defoliant|phosphorotrithioic acid, S,S,S-tributyl ester|S,S,S-Tributyl phosphorotrithioate|S,S,S-tributyl trithiophosphate|S,S,S-Tributyltrithiofosfat|Tribuphos|tributylphosphorotrithioate|UNII-53075G8GRF https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024174
ERPathway2016 ERPathway2016_540 Tribufos 78-48-8 DTXSID1024174 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCSP(=O)(SCCCC)SCCCC Tribufos 78-48-8|Tribufos|BRN 1910992|Butifos|Butiphos|butyl phosphorotrithioate|Caswell No. 864|De-Green|DEF|DEF defoliant|E-Z-Off D|EINECS 201-120-8|EPA Pesticide Chemical Code 074801|Fos-Fall A|Fossfall|Merphos oxide|Ortho phosphate defoliant|phosphorotrithioic acid, S,S,S-tributyl ester|S,S,S-Tributyl phosphorotrithioate|S,S,S-tributyl trithiophosphate|S,S,S-Tributyltrithiofosfat|Tribuphos|tributylphosphorotrithioate|UNII-53075G8GRF https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024174
ERPathway2016 ERPathway2016_540 Tribufos 78-48-8 DTXSID1024174 ER Pathway Model, Agonist Call Inactive Unitless CCCCSP(=O)(SCCCC)SCCCC Tribufos 78-48-8|Tribufos|BRN 1910992|Butifos|Butiphos|butyl phosphorotrithioate|Caswell No. 864|De-Green|DEF|DEF defoliant|E-Z-Off D|EINECS 201-120-8|EPA Pesticide Chemical Code 074801|Fos-Fall A|Fossfall|Merphos oxide|Ortho phosphate defoliant|phosphorotrithioic acid, S,S,S-tributyl ester|S,S,S-Tributyl phosphorotrithioate|S,S,S-tributyl trithiophosphate|S,S,S-Tributyltrithiofosfat|Tribuphos|tributylphosphorotrithioate|UNII-53075G8GRF https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024174
ERPathway2016 ERPathway2016_540 Tribufos 78-48-8 DTXSID1024174 ER Pathway Model, Antagonist Call Inactive Unitless CCCCSP(=O)(SCCCC)SCCCC Tribufos 78-48-8|Tribufos|BRN 1910992|Butifos|Butiphos|butyl phosphorotrithioate|Caswell No. 864|De-Green|DEF|DEF defoliant|E-Z-Off D|EINECS 201-120-8|EPA Pesticide Chemical Code 074801|Fos-Fall A|Fossfall|Merphos oxide|Ortho phosphate defoliant|phosphorotrithioic acid, S,S,S-tributyl ester|S,S,S-Tributyl phosphorotrithioate|S,S,S-tributyl trithiophosphate|S,S,S-Tributyltrithiofosfat|Tribuphos|tributylphosphorotrithioate|UNII-53075G8GRF https://comptox.epa.gov/dashboard/chemical/details/DTXSID1024174
ARPathway2016 ARPathway2016_749 Tributyl phosphate 126-73-8 DTXSID3021986 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOP(=O)(OCCCC)OCCCC Tributyl phosphate 126-73-8|Tributyl phosphate|4-01-00-01531|BRN 1710584|Butyl phosphate|Butyl phosphate,|Butyl phosphate, tri-|Calloway 6814|Celluphos 4|Disflamoll TB|EINECS 204-800-2|fosfato de tributilo|NSC 8484|Phosphate de tributyle|Phosphoric acid tri-n-butyl ester|Phosphoric acid tributyl ester|Phosphoric acid, tributyl ester|TBP|TRI-N-BUTYL PHOSPHATE|Tri-N-butylphosphate|Tributilfosfato|Tributoxyphosphine oxide|Tributyle (phosphate de)|Tributylfosfaat|Tributylfosfat|Tributylphosphat|TRIBUTYLPHOSPHATE|UNII-95UAS8YAF5|1238174-19-0|15158-85-7|19824-61-4|329184-61-4|80094-39-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021986 https://doi.org/10.22427/NTP-DATA-DTXSID3021986
ARPathway2016 ARPathway2016_749 Tributyl phosphate 126-73-8 DTXSID3021986 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOP(=O)(OCCCC)OCCCC Tributyl phosphate 126-73-8|Tributyl phosphate|4-01-00-01531|BRN 1710584|Butyl phosphate|Butyl phosphate,|Butyl phosphate, tri-|Calloway 6814|Celluphos 4|Disflamoll TB|EINECS 204-800-2|fosfato de tributilo|NSC 8484|Phosphate de tributyle|Phosphoric acid tri-n-butyl ester|Phosphoric acid tributyl ester|Phosphoric acid, tributyl ester|TBP|TRI-N-BUTYL PHOSPHATE|Tri-N-butylphosphate|Tributilfosfato|Tributoxyphosphine oxide|Tributyle (phosphate de)|Tributylfosfaat|Tributylfosfat|Tributylphosphat|TRIBUTYLPHOSPHATE|UNII-95UAS8YAF5|1238174-19-0|15158-85-7|19824-61-4|329184-61-4|80094-39-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021986 https://doi.org/10.22427/NTP-DATA-DTXSID3021986
ARPathway2016 ARPathway2016_749 Tributyl phosphate 126-73-8 DTXSID3021986 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOP(=O)(OCCCC)OCCCC Tributyl phosphate 126-73-8|Tributyl phosphate|4-01-00-01531|BRN 1710584|Butyl phosphate|Butyl phosphate,|Butyl phosphate, tri-|Calloway 6814|Celluphos 4|Disflamoll TB|EINECS 204-800-2|fosfato de tributilo|NSC 8484|Phosphate de tributyle|Phosphoric acid tri-n-butyl ester|Phosphoric acid tributyl ester|Phosphoric acid, tributyl ester|TBP|TRI-N-BUTYL PHOSPHATE|Tri-N-butylphosphate|Tributilfosfato|Tributoxyphosphine oxide|Tributyle (phosphate de)|Tributylfosfaat|Tributylfosfat|Tributylphosphat|TRIBUTYLPHOSPHATE|UNII-95UAS8YAF5|1238174-19-0|15158-85-7|19824-61-4|329184-61-4|80094-39-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021986 https://doi.org/10.22427/NTP-DATA-DTXSID3021986
ARPathway2016 ARPathway2016_749 Tributyl phosphate 126-73-8 DTXSID3021986 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOP(=O)(OCCCC)OCCCC Tributyl phosphate 126-73-8|Tributyl phosphate|4-01-00-01531|BRN 1710584|Butyl phosphate|Butyl phosphate,|Butyl phosphate, tri-|Calloway 6814|Celluphos 4|Disflamoll TB|EINECS 204-800-2|fosfato de tributilo|NSC 8484|Phosphate de tributyle|Phosphoric acid tri-n-butyl ester|Phosphoric acid tributyl ester|Phosphoric acid, tributyl ester|TBP|TRI-N-BUTYL PHOSPHATE|Tri-N-butylphosphate|Tributilfosfato|Tributoxyphosphine oxide|Tributyle (phosphate de)|Tributylfosfaat|Tributylfosfat|Tributylphosphat|TRIBUTYLPHOSPHATE|UNII-95UAS8YAF5|1238174-19-0|15158-85-7|19824-61-4|329184-61-4|80094-39-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021986 https://doi.org/10.22427/NTP-DATA-DTXSID3021986
ERPathway2016 ERPathway2016_890 Tributyl phosphate 126-73-8 DTXSID3021986 A15 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOP(=O)(OCCCC)OCCCC Tributyl phosphate 126-73-8|Tributyl phosphate|4-01-00-01531|BRN 1710584|Butyl phosphate|Butyl phosphate,|Butyl phosphate, tri-|Calloway 6814|Celluphos 4|Disflamoll TB|EINECS 204-800-2|fosfato de tributilo|NSC 8484|Phosphate de tributyle|Phosphoric acid tri-n-butyl ester|Phosphoric acid tributyl ester|Phosphoric acid, tributyl ester|TBP|TRI-N-BUTYL PHOSPHATE|Tri-N-butylphosphate|Tributilfosfato|Tributoxyphosphine oxide|Tributyle (phosphate de)|Tributylfosfaat|Tributylfosfat|Tributylphosphat|TRIBUTYLPHOSPHATE|UNII-95UAS8YAF5|1238174-19-0|15158-85-7|19824-61-4|329184-61-4|80094-39-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021986 https://doi.org/10.22427/NTP-DATA-DTXSID3021986
ERPathway2016 ERPathway2016_890 Tributyl phosphate 126-73-8 DTXSID3021986 A15 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOP(=O)(OCCCC)OCCCC Tributyl phosphate 126-73-8|Tributyl phosphate|4-01-00-01531|BRN 1710584|Butyl phosphate|Butyl phosphate,|Butyl phosphate, tri-|Calloway 6814|Celluphos 4|Disflamoll TB|EINECS 204-800-2|fosfato de tributilo|NSC 8484|Phosphate de tributyle|Phosphoric acid tri-n-butyl ester|Phosphoric acid tributyl ester|Phosphoric acid, tributyl ester|TBP|TRI-N-BUTYL PHOSPHATE|Tri-N-butylphosphate|Tributilfosfato|Tributoxyphosphine oxide|Tributyle (phosphate de)|Tributylfosfaat|Tributylfosfat|Tributylphosphat|TRIBUTYLPHOSPHATE|UNII-95UAS8YAF5|1238174-19-0|15158-85-7|19824-61-4|329184-61-4|80094-39-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021986 https://doi.org/10.22427/NTP-DATA-DTXSID3021986
ERPathway2016 ERPathway2016_890 Tributyl phosphate 126-73-8 DTXSID3021986 A15 ER Pathway Model, Agonist Call Inactive Unitless CCCCOP(=O)(OCCCC)OCCCC Tributyl phosphate 126-73-8|Tributyl phosphate|4-01-00-01531|BRN 1710584|Butyl phosphate|Butyl phosphate,|Butyl phosphate, tri-|Calloway 6814|Celluphos 4|Disflamoll TB|EINECS 204-800-2|fosfato de tributilo|NSC 8484|Phosphate de tributyle|Phosphoric acid tri-n-butyl ester|Phosphoric acid tributyl ester|Phosphoric acid, tributyl ester|TBP|TRI-N-BUTYL PHOSPHATE|Tri-N-butylphosphate|Tributilfosfato|Tributoxyphosphine oxide|Tributyle (phosphate de)|Tributylfosfaat|Tributylfosfat|Tributylphosphat|TRIBUTYLPHOSPHATE|UNII-95UAS8YAF5|1238174-19-0|15158-85-7|19824-61-4|329184-61-4|80094-39-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021986 https://doi.org/10.22427/NTP-DATA-DTXSID3021986
ERPathway2016 ERPathway2016_890 Tributyl phosphate 126-73-8 DTXSID3021986 A15 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOP(=O)(OCCCC)OCCCC Tributyl phosphate 126-73-8|Tributyl phosphate|4-01-00-01531|BRN 1710584|Butyl phosphate|Butyl phosphate,|Butyl phosphate, tri-|Calloway 6814|Celluphos 4|Disflamoll TB|EINECS 204-800-2|fosfato de tributilo|NSC 8484|Phosphate de tributyle|Phosphoric acid tri-n-butyl ester|Phosphoric acid tributyl ester|Phosphoric acid, tributyl ester|TBP|TRI-N-BUTYL PHOSPHATE|Tri-N-butylphosphate|Tributilfosfato|Tributoxyphosphine oxide|Tributyle (phosphate de)|Tributylfosfaat|Tributylfosfat|Tributylphosphat|TRIBUTYLPHOSPHATE|UNII-95UAS8YAF5|1238174-19-0|15158-85-7|19824-61-4|329184-61-4|80094-39-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3021986 https://doi.org/10.22427/NTP-DATA-DTXSID3021986
ARPathway2016 ARPathway2016_429 Tributylamine 102-82-9 DTXSID4026183 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCN(CCCC)CCCC Tributylamine 102-82-9|Tributylamine|1-Butanamine, N,N-dibutyl-|Amine, tributyl-|BRN 1698872|EINECS 203-058-7|N,N-Dibutyl-1-butanamine|TBA|Tri N-Butylamine|Tri-n-butylamine|tributilamina|Tributylamin|Tris-n-butylamine|Tris[N-butylamine]|UN 2542|UNII-C3TZB2W0R7|168153-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026183 https://doi.org/10.22427/NTP-DATA-DTXSID4026183
ARPathway2016 ARPathway2016_429 Tributylamine 102-82-9 DTXSID4026183 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCN(CCCC)CCCC Tributylamine 102-82-9|Tributylamine|1-Butanamine, N,N-dibutyl-|Amine, tributyl-|BRN 1698872|EINECS 203-058-7|N,N-Dibutyl-1-butanamine|TBA|Tri N-Butylamine|Tri-n-butylamine|tributilamina|Tributylamin|Tris-n-butylamine|Tris[N-butylamine]|UN 2542|UNII-C3TZB2W0R7|168153-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026183 https://doi.org/10.22427/NTP-DATA-DTXSID4026183
ARPathway2016 ARPathway2016_429 Tributylamine 102-82-9 DTXSID4026183 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCN(CCCC)CCCC Tributylamine 102-82-9|Tributylamine|1-Butanamine, N,N-dibutyl-|Amine, tributyl-|BRN 1698872|EINECS 203-058-7|N,N-Dibutyl-1-butanamine|TBA|Tri N-Butylamine|Tri-n-butylamine|tributilamina|Tributylamin|Tris-n-butylamine|Tris[N-butylamine]|UN 2542|UNII-C3TZB2W0R7|168153-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026183 https://doi.org/10.22427/NTP-DATA-DTXSID4026183
ARPathway2016 ARPathway2016_429 Tributylamine 102-82-9 DTXSID4026183 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCN(CCCC)CCCC Tributylamine 102-82-9|Tributylamine|1-Butanamine, N,N-dibutyl-|Amine, tributyl-|BRN 1698872|EINECS 203-058-7|N,N-Dibutyl-1-butanamine|TBA|Tri N-Butylamine|Tri-n-butylamine|tributilamina|Tributylamin|Tris-n-butylamine|Tris[N-butylamine]|UN 2542|UNII-C3TZB2W0R7|168153-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026183 https://doi.org/10.22427/NTP-DATA-DTXSID4026183
ERPathway2016 ERPathway2016_1067 Tributylamine 102-82-9 DTXSID4026183 ER Pathway Model, Agonist Model Score 0 Unitless CCCCN(CCCC)CCCC Tributylamine 102-82-9|Tributylamine|1-Butanamine, N,N-dibutyl-|Amine, tributyl-|BRN 1698872|EINECS 203-058-7|N,N-Dibutyl-1-butanamine|TBA|Tri N-Butylamine|Tri-n-butylamine|tributilamina|Tributylamin|Tris-n-butylamine|Tris[N-butylamine]|UN 2542|UNII-C3TZB2W0R7|168153-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026183 https://doi.org/10.22427/NTP-DATA-DTXSID4026183
ERPathway2016 ERPathway2016_1067 Tributylamine 102-82-9 DTXSID4026183 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCN(CCCC)CCCC Tributylamine 102-82-9|Tributylamine|1-Butanamine, N,N-dibutyl-|Amine, tributyl-|BRN 1698872|EINECS 203-058-7|N,N-Dibutyl-1-butanamine|TBA|Tri N-Butylamine|Tri-n-butylamine|tributilamina|Tributylamin|Tris-n-butylamine|Tris[N-butylamine]|UN 2542|UNII-C3TZB2W0R7|168153-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026183 https://doi.org/10.22427/NTP-DATA-DTXSID4026183
ERPathway2016 ERPathway2016_1067 Tributylamine 102-82-9 DTXSID4026183 ER Pathway Model, Agonist Call Inactive Unitless CCCCN(CCCC)CCCC Tributylamine 102-82-9|Tributylamine|1-Butanamine, N,N-dibutyl-|Amine, tributyl-|BRN 1698872|EINECS 203-058-7|N,N-Dibutyl-1-butanamine|TBA|Tri N-Butylamine|Tri-n-butylamine|tributilamina|Tributylamin|Tris-n-butylamine|Tris[N-butylamine]|UN 2542|UNII-C3TZB2W0R7|168153-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026183 https://doi.org/10.22427/NTP-DATA-DTXSID4026183
ERPathway2016 ERPathway2016_1067 Tributylamine 102-82-9 DTXSID4026183 ER Pathway Model, Antagonist Call Inactive Unitless CCCCN(CCCC)CCCC Tributylamine 102-82-9|Tributylamine|1-Butanamine, N,N-dibutyl-|Amine, tributyl-|BRN 1698872|EINECS 203-058-7|N,N-Dibutyl-1-butanamine|TBA|Tri N-Butylamine|Tri-n-butylamine|tributilamina|Tributylamin|Tris-n-butylamine|Tris[N-butylamine]|UN 2542|UNII-C3TZB2W0R7|168153-19-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026183 https://doi.org/10.22427/NTP-DATA-DTXSID4026183
ARPathway2016 ARPathway2016_288 Tributyltetradecylphosphonium chloride 81741-28-8 DTXSID9034997 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 4.01346969005093 uM [Cl-].CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC Tributyltetradecylphosphonium chloride 81741-28-8|Tributyltetradecylphosphonium chloride|Caswell No. 866A|EINECS 279-808-2|EPA Pesticide Chemical Code 128824|Tri-n-butyl tetradecyl phosphonium chloride|Tri-N-butyltetradecylphosphonium chloride|Tributyl tetradecyl phosphonium chloride|UNII-82832Q4G52|101246-58-6|95078-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034997
ARPathway2016 ARPathway2016_288 Tributyltetradecylphosphonium chloride 81741-28-8 DTXSID9034997 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 2.65801603907692 uM [Cl-].CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC Tributyltetradecylphosphonium chloride 81741-28-8|Tributyltetradecylphosphonium chloride|Caswell No. 866A|EINECS 279-808-2|EPA Pesticide Chemical Code 128824|Tri-n-butyl tetradecyl phosphonium chloride|Tri-N-butyltetradecylphosphonium chloride|Tributyl tetradecyl phosphonium chloride|UNII-82832Q4G52|101246-58-6|95078-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034997
ARPathway2016 ARPathway2016_288 Tributyltetradecylphosphonium chloride 81741-28-8 DTXSID9034997 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.525 Unitless [Cl-].CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC Tributyltetradecylphosphonium chloride 81741-28-8|Tributyltetradecylphosphonium chloride|Caswell No. 866A|EINECS 279-808-2|EPA Pesticide Chemical Code 128824|Tri-n-butyl tetradecyl phosphonium chloride|Tri-N-butyltetradecylphosphonium chloride|Tributyl tetradecyl phosphonium chloride|UNII-82832Q4G52|101246-58-6|95078-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034997
ARPathway2016 ARPathway2016_288 Tributyltetradecylphosphonium chloride 81741-28-8 DTXSID9034997 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless [Cl-].CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC Tributyltetradecylphosphonium chloride 81741-28-8|Tributyltetradecylphosphonium chloride|Caswell No. 866A|EINECS 279-808-2|EPA Pesticide Chemical Code 128824|Tri-n-butyl tetradecyl phosphonium chloride|Tri-N-butyltetradecylphosphonium chloride|Tributyl tetradecyl phosphonium chloride|UNII-82832Q4G52|101246-58-6|95078-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034997
ARPathway2016 ARPathway2016_288 Tributyltetradecylphosphonium chloride 81741-28-8 DTXSID9034997 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless [Cl-].CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC Tributyltetradecylphosphonium chloride 81741-28-8|Tributyltetradecylphosphonium chloride|Caswell No. 866A|EINECS 279-808-2|EPA Pesticide Chemical Code 128824|Tri-n-butyl tetradecyl phosphonium chloride|Tri-N-butyltetradecylphosphonium chloride|Tributyl tetradecyl phosphonium chloride|UNII-82832Q4G52|101246-58-6|95078-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034997
ARPathway2016 ARPathway2016_288 Tributyltetradecylphosphonium chloride 81741-28-8 DTXSID9034997 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless [Cl-].CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC Tributyltetradecylphosphonium chloride 81741-28-8|Tributyltetradecylphosphonium chloride|Caswell No. 866A|EINECS 279-808-2|EPA Pesticide Chemical Code 128824|Tri-n-butyl tetradecyl phosphonium chloride|Tri-N-butyltetradecylphosphonium chloride|Tributyl tetradecyl phosphonium chloride|UNII-82832Q4G52|101246-58-6|95078-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034997
ERPathway2016 ERPathway2016_241 Tributyltetradecylphosphonium chloride 81741-28-8 DTXSID9034997 R8 ER Pathway Model, Antagonist AC50 11.1898752284848 uM [Cl-].CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC Tributyltetradecylphosphonium chloride 81741-28-8|Tributyltetradecylphosphonium chloride|Caswell No. 866A|EINECS 279-808-2|EPA Pesticide Chemical Code 128824|Tri-n-butyl tetradecyl phosphonium chloride|Tri-N-butyltetradecylphosphonium chloride|Tributyl tetradecyl phosphonium chloride|UNII-82832Q4G52|101246-58-6|95078-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034997
ERPathway2016 ERPathway2016_241 Tributyltetradecylphosphonium chloride 81741-28-8 DTXSID9034997 R8 ER Pathway Model, Antagonist ACC 9.00959044112208 uM [Cl-].CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC Tributyltetradecylphosphonium chloride 81741-28-8|Tributyltetradecylphosphonium chloride|Caswell No. 866A|EINECS 279-808-2|EPA Pesticide Chemical Code 128824|Tri-n-butyl tetradecyl phosphonium chloride|Tri-N-butyltetradecylphosphonium chloride|Tributyl tetradecyl phosphonium chloride|UNII-82832Q4G52|101246-58-6|95078-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034997
ERPathway2016 ERPathway2016_241 Tributyltetradecylphosphonium chloride 81741-28-8 DTXSID9034997 R8 ER Pathway Model, Agonist Model Score 0.093 Unitless [Cl-].CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC Tributyltetradecylphosphonium chloride 81741-28-8|Tributyltetradecylphosphonium chloride|Caswell No. 866A|EINECS 279-808-2|EPA Pesticide Chemical Code 128824|Tri-n-butyl tetradecyl phosphonium chloride|Tri-N-butyltetradecylphosphonium chloride|Tributyl tetradecyl phosphonium chloride|UNII-82832Q4G52|101246-58-6|95078-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034997
ERPathway2016 ERPathway2016_241 Tributyltetradecylphosphonium chloride 81741-28-8 DTXSID9034997 R8 ER Pathway Model, Antagonist Model Score 0.0244 Unitless [Cl-].CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC Tributyltetradecylphosphonium chloride 81741-28-8|Tributyltetradecylphosphonium chloride|Caswell No. 866A|EINECS 279-808-2|EPA Pesticide Chemical Code 128824|Tri-n-butyl tetradecyl phosphonium chloride|Tri-N-butyltetradecylphosphonium chloride|Tributyl tetradecyl phosphonium chloride|UNII-82832Q4G52|101246-58-6|95078-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034997
ERPathway2016 ERPathway2016_241 Tributyltetradecylphosphonium chloride 81741-28-8 DTXSID9034997 R8 ER Pathway Model, Agonist Call Inactive Unitless [Cl-].CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC Tributyltetradecylphosphonium chloride 81741-28-8|Tributyltetradecylphosphonium chloride|Caswell No. 866A|EINECS 279-808-2|EPA Pesticide Chemical Code 128824|Tri-n-butyl tetradecyl phosphonium chloride|Tri-N-butyltetradecylphosphonium chloride|Tributyl tetradecyl phosphonium chloride|UNII-82832Q4G52|101246-58-6|95078-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034997
ERPathway2016 ERPathway2016_241 Tributyltetradecylphosphonium chloride 81741-28-8 DTXSID9034997 R8 ER Pathway Model, Antagonist Call Active Unitless [Cl-].CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC Tributyltetradecylphosphonium chloride 81741-28-8|Tributyltetradecylphosphonium chloride|Caswell No. 866A|EINECS 279-808-2|EPA Pesticide Chemical Code 128824|Tri-n-butyl tetradecyl phosphonium chloride|Tri-N-butyltetradecylphosphonium chloride|Tributyl tetradecyl phosphonium chloride|UNII-82832Q4G52|101246-58-6|95078-06-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9034997
ARPathway2016 ARPathway2016_174 Tributyltin benzoate 4342-36-3 DTXSID5034981 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 1.13927417135951 uM CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1 Tributyltin benzoate 4342-36-3|Tributyltin benzoate|(Benzoyloxy)tributylstannane|(Benzoyloxy)tributyltin|Benzoic acid, tributylstannyl ester|Benzoyloxytributylstannane|Caswell No. 867AA|EINECS 224-399-8|EPA Pesticide Chemical Code 083106|Fungitrol 158|NSC 221308|Stannane, (benzoyloxy)tributyl-|Stannane, benzoyloxytributyl-|Tin, (benzoyloxy)tributyl-|Tin, tributyl-, benzoate|Tri-n-butyl-zinn benzoate|Tri-n-butyltin benzoate|Tributylstannyl benzoate|Tris(n-butyl)tin benzoate|UNII-D2156SHC1D|158707-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034981
ARPathway2016 ARPathway2016_174 Tributyltin benzoate 4342-36-3 DTXSID5034981 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 1.01687758171883 uM CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1 Tributyltin benzoate 4342-36-3|Tributyltin benzoate|(Benzoyloxy)tributylstannane|(Benzoyloxy)tributyltin|Benzoic acid, tributylstannyl ester|Benzoyloxytributylstannane|Caswell No. 867AA|EINECS 224-399-8|EPA Pesticide Chemical Code 083106|Fungitrol 158|NSC 221308|Stannane, (benzoyloxy)tributyl-|Stannane, benzoyloxytributyl-|Tin, (benzoyloxy)tributyl-|Tin, tributyl-, benzoate|Tri-n-butyl-zinn benzoate|Tri-n-butyltin benzoate|Tributylstannyl benzoate|Tris(n-butyl)tin benzoate|UNII-D2156SHC1D|158707-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034981
ARPathway2016 ARPathway2016_174 Tributyltin benzoate 4342-36-3 DTXSID5034981 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.691 Unitless CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1 Tributyltin benzoate 4342-36-3|Tributyltin benzoate|(Benzoyloxy)tributylstannane|(Benzoyloxy)tributyltin|Benzoic acid, tributylstannyl ester|Benzoyloxytributylstannane|Caswell No. 867AA|EINECS 224-399-8|EPA Pesticide Chemical Code 083106|Fungitrol 158|NSC 221308|Stannane, (benzoyloxy)tributyl-|Stannane, benzoyloxytributyl-|Tin, (benzoyloxy)tributyl-|Tin, tributyl-, benzoate|Tri-n-butyl-zinn benzoate|Tri-n-butyltin benzoate|Tributylstannyl benzoate|Tris(n-butyl)tin benzoate|UNII-D2156SHC1D|158707-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034981
ARPathway2016 ARPathway2016_174 Tributyltin benzoate 4342-36-3 DTXSID5034981 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1 Tributyltin benzoate 4342-36-3|Tributyltin benzoate|(Benzoyloxy)tributylstannane|(Benzoyloxy)tributyltin|Benzoic acid, tributylstannyl ester|Benzoyloxytributylstannane|Caswell No. 867AA|EINECS 224-399-8|EPA Pesticide Chemical Code 083106|Fungitrol 158|NSC 221308|Stannane, (benzoyloxy)tributyl-|Stannane, benzoyloxytributyl-|Tin, (benzoyloxy)tributyl-|Tin, tributyl-, benzoate|Tri-n-butyl-zinn benzoate|Tri-n-butyltin benzoate|Tributylstannyl benzoate|Tris(n-butyl)tin benzoate|UNII-D2156SHC1D|158707-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034981
ARPathway2016 ARPathway2016_174 Tributyltin benzoate 4342-36-3 DTXSID5034981 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1 Tributyltin benzoate 4342-36-3|Tributyltin benzoate|(Benzoyloxy)tributylstannane|(Benzoyloxy)tributyltin|Benzoic acid, tributylstannyl ester|Benzoyloxytributylstannane|Caswell No. 867AA|EINECS 224-399-8|EPA Pesticide Chemical Code 083106|Fungitrol 158|NSC 221308|Stannane, (benzoyloxy)tributyl-|Stannane, benzoyloxytributyl-|Tin, (benzoyloxy)tributyl-|Tin, tributyl-, benzoate|Tri-n-butyl-zinn benzoate|Tri-n-butyltin benzoate|Tributylstannyl benzoate|Tris(n-butyl)tin benzoate|UNII-D2156SHC1D|158707-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034981
ARPathway2016 ARPathway2016_174 Tributyltin benzoate 4342-36-3 DTXSID5034981 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1 Tributyltin benzoate 4342-36-3|Tributyltin benzoate|(Benzoyloxy)tributylstannane|(Benzoyloxy)tributyltin|Benzoic acid, tributylstannyl ester|Benzoyloxytributylstannane|Caswell No. 867AA|EINECS 224-399-8|EPA Pesticide Chemical Code 083106|Fungitrol 158|NSC 221308|Stannane, (benzoyloxy)tributyl-|Stannane, benzoyloxytributyl-|Tin, (benzoyloxy)tributyl-|Tin, tributyl-, benzoate|Tri-n-butyl-zinn benzoate|Tri-n-butyltin benzoate|Tributylstannyl benzoate|Tris(n-butyl)tin benzoate|UNII-D2156SHC1D|158707-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034981
ERPathway2016 ERPathway2016_82 Tributyltin benzoate 4342-36-3 DTXSID5034981 Antagonist ER Pathway Model, Agonist AC50 2.4648086163777 uM CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1 Tributyltin benzoate 4342-36-3|Tributyltin benzoate|(Benzoyloxy)tributylstannane|(Benzoyloxy)tributyltin|Benzoic acid, tributylstannyl ester|Benzoyloxytributylstannane|Caswell No. 867AA|EINECS 224-399-8|EPA Pesticide Chemical Code 083106|Fungitrol 158|NSC 221308|Stannane, (benzoyloxy)tributyl-|Stannane, benzoyloxytributyl-|Tin, (benzoyloxy)tributyl-|Tin, tributyl-, benzoate|Tri-n-butyl-zinn benzoate|Tri-n-butyltin benzoate|Tributylstannyl benzoate|Tris(n-butyl)tin benzoate|UNII-D2156SHC1D|158707-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034981
ERPathway2016 ERPathway2016_82 Tributyltin benzoate 4342-36-3 DTXSID5034981 Antagonist ER Pathway Model, Agonist ACC 2.37594210138733 uM CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1 Tributyltin benzoate 4342-36-3|Tributyltin benzoate|(Benzoyloxy)tributylstannane|(Benzoyloxy)tributyltin|Benzoic acid, tributylstannyl ester|Benzoyloxytributylstannane|Caswell No. 867AA|EINECS 224-399-8|EPA Pesticide Chemical Code 083106|Fungitrol 158|NSC 221308|Stannane, (benzoyloxy)tributyl-|Stannane, benzoyloxytributyl-|Tin, (benzoyloxy)tributyl-|Tin, tributyl-, benzoate|Tri-n-butyl-zinn benzoate|Tri-n-butyltin benzoate|Tributylstannyl benzoate|Tris(n-butyl)tin benzoate|UNII-D2156SHC1D|158707-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034981
ERPathway2016 ERPathway2016_82 Tributyltin benzoate 4342-36-3 DTXSID5034981 Antagonist ER Pathway Model, Agonist Model Score 0 Unitless CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1 Tributyltin benzoate 4342-36-3|Tributyltin benzoate|(Benzoyloxy)tributylstannane|(Benzoyloxy)tributyltin|Benzoic acid, tributylstannyl ester|Benzoyloxytributylstannane|Caswell No. 867AA|EINECS 224-399-8|EPA Pesticide Chemical Code 083106|Fungitrol 158|NSC 221308|Stannane, (benzoyloxy)tributyl-|Stannane, benzoyloxytributyl-|Tin, (benzoyloxy)tributyl-|Tin, tributyl-, benzoate|Tri-n-butyl-zinn benzoate|Tri-n-butyltin benzoate|Tributylstannyl benzoate|Tris(n-butyl)tin benzoate|UNII-D2156SHC1D|158707-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034981
ERPathway2016 ERPathway2016_82 Tributyltin benzoate 4342-36-3 DTXSID5034981 Antagonist ER Pathway Model, Antagonist Model Score 0.18 Unitless CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1 Tributyltin benzoate 4342-36-3|Tributyltin benzoate|(Benzoyloxy)tributylstannane|(Benzoyloxy)tributyltin|Benzoic acid, tributylstannyl ester|Benzoyloxytributylstannane|Caswell No. 867AA|EINECS 224-399-8|EPA Pesticide Chemical Code 083106|Fungitrol 158|NSC 221308|Stannane, (benzoyloxy)tributyl-|Stannane, benzoyloxytributyl-|Tin, (benzoyloxy)tributyl-|Tin, tributyl-, benzoate|Tri-n-butyl-zinn benzoate|Tri-n-butyltin benzoate|Tributylstannyl benzoate|Tris(n-butyl)tin benzoate|UNII-D2156SHC1D|158707-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034981
ERPathway2016 ERPathway2016_82 Tributyltin benzoate 4342-36-3 DTXSID5034981 Antagonist ER Pathway Model, Agonist Call Active Unitless CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1 Tributyltin benzoate 4342-36-3|Tributyltin benzoate|(Benzoyloxy)tributylstannane|(Benzoyloxy)tributyltin|Benzoic acid, tributylstannyl ester|Benzoyloxytributylstannane|Caswell No. 867AA|EINECS 224-399-8|EPA Pesticide Chemical Code 083106|Fungitrol 158|NSC 221308|Stannane, (benzoyloxy)tributyl-|Stannane, benzoyloxytributyl-|Tin, (benzoyloxy)tributyl-|Tin, tributyl-, benzoate|Tri-n-butyl-zinn benzoate|Tri-n-butyltin benzoate|Tributylstannyl benzoate|Tris(n-butyl)tin benzoate|UNII-D2156SHC1D|158707-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034981
ERPathway2016 ERPathway2016_82 Tributyltin benzoate 4342-36-3 DTXSID5034981 Antagonist ER Pathway Model, Antagonist Call Inactive Unitless CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1 Tributyltin benzoate 4342-36-3|Tributyltin benzoate|(Benzoyloxy)tributylstannane|(Benzoyloxy)tributyltin|Benzoic acid, tributylstannyl ester|Benzoyloxytributylstannane|Caswell No. 867AA|EINECS 224-399-8|EPA Pesticide Chemical Code 083106|Fungitrol 158|NSC 221308|Stannane, (benzoyloxy)tributyl-|Stannane, benzoyloxytributyl-|Tin, (benzoyloxy)tributyl-|Tin, tributyl-, benzoate|Tri-n-butyl-zinn benzoate|Tri-n-butyltin benzoate|Tributylstannyl benzoate|Tris(n-butyl)tin benzoate|UNII-D2156SHC1D|158707-50-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5034981
ARPathway2016 ARPathway2016_77 Tributyltin chloride 1461-22-9 DTXSID3027403 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 0.642119051004245 uM CCCC[Sn](Cl)(CCCC)CCCC Tributyltin chloride 1461-22-9|Tributyltin chloride|Caswell No. 867A|Chlorid tri-n-butylcinicity|Chlorotri-n-butylstannane|Chlorotri-n-butyltin|Chlorotributylstannane|Chlorotributyltin|chlorure de tributyletain|Chlorure de tributylstannane|cloruro de tributilestano|EINECS 215-958-7|EPA Pesticide Chemical Code 083107|Monochlorotributyltin|NSC 22323|Stannane tributylchloro-|Stannane, tributylchloro-|Tin, tri-n-butyl-, chloride|Tri-n-butylchlorostannane|Tri-n-butylchlorotin|Tri-n-butylstannyl chloride|Tri-n-butyltin chloride|Tri-N-butylzinn-chlorid|TRIBUTYL-ZINN-CHLORID|Tributylchlorostannane|Tributylchlorotin|Tributylstannium chloride|Tributylstannyl chloride|Tributylzinnchlorid|UNII-CA82T4QR5F|WR 3396 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027403
ARPathway2016 ARPathway2016_77 Tributyltin chloride 1461-22-9 DTXSID3027403 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 0.709132506041893 uM CCCC[Sn](Cl)(CCCC)CCCC Tributyltin chloride 1461-22-9|Tributyltin chloride|Caswell No. 867A|Chlorid tri-n-butylcinicity|Chlorotri-n-butylstannane|Chlorotri-n-butyltin|Chlorotributylstannane|Chlorotributyltin|chlorure de tributyletain|Chlorure de tributylstannane|cloruro de tributilestano|EINECS 215-958-7|EPA Pesticide Chemical Code 083107|Monochlorotributyltin|NSC 22323|Stannane tributylchloro-|Stannane, tributylchloro-|Tin, tri-n-butyl-, chloride|Tri-n-butylchlorostannane|Tri-n-butylchlorotin|Tri-n-butylstannyl chloride|Tri-n-butyltin chloride|Tri-N-butylzinn-chlorid|TRIBUTYL-ZINN-CHLORID|Tributylchlorostannane|Tributylchlorotin|Tributylstannium chloride|Tributylstannyl chloride|Tributylzinnchlorid|UNII-CA82T4QR5F|WR 3396 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027403
ARPathway2016 ARPathway2016_77 Tributyltin chloride 1461-22-9 DTXSID3027403 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.222 Unitless CCCC[Sn](Cl)(CCCC)CCCC Tributyltin chloride 1461-22-9|Tributyltin chloride|Caswell No. 867A|Chlorid tri-n-butylcinicity|Chlorotri-n-butylstannane|Chlorotri-n-butyltin|Chlorotributylstannane|Chlorotributyltin|chlorure de tributyletain|Chlorure de tributylstannane|cloruro de tributilestano|EINECS 215-958-7|EPA Pesticide Chemical Code 083107|Monochlorotributyltin|NSC 22323|Stannane tributylchloro-|Stannane, tributylchloro-|Tin, tri-n-butyl-, chloride|Tri-n-butylchlorostannane|Tri-n-butylchlorotin|Tri-n-butylstannyl chloride|Tri-n-butyltin chloride|Tri-N-butylzinn-chlorid|TRIBUTYL-ZINN-CHLORID|Tributylchlorostannane|Tributylchlorotin|Tributylstannium chloride|Tributylstannyl chloride|Tributylzinnchlorid|UNII-CA82T4QR5F|WR 3396 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027403
ARPathway2016 ARPathway2016_77 Tributyltin chloride 1461-22-9 DTXSID3027403 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0.0108 Unitless CCCC[Sn](Cl)(CCCC)CCCC Tributyltin chloride 1461-22-9|Tributyltin chloride|Caswell No. 867A|Chlorid tri-n-butylcinicity|Chlorotri-n-butylstannane|Chlorotri-n-butyltin|Chlorotributylstannane|Chlorotributyltin|chlorure de tributyletain|Chlorure de tributylstannane|cloruro de tributilestano|EINECS 215-958-7|EPA Pesticide Chemical Code 083107|Monochlorotributyltin|NSC 22323|Stannane tributylchloro-|Stannane, tributylchloro-|Tin, tri-n-butyl-, chloride|Tri-n-butylchlorostannane|Tri-n-butylchlorotin|Tri-n-butylstannyl chloride|Tri-n-butyltin chloride|Tri-N-butylzinn-chlorid|TRIBUTYL-ZINN-CHLORID|Tributylchlorostannane|Tributylchlorotin|Tributylstannium chloride|Tributylstannyl chloride|Tributylzinnchlorid|UNII-CA82T4QR5F|WR 3396 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027403
ARPathway2016 ARPathway2016_77 Tributyltin chloride 1461-22-9 DTXSID3027403 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCC[Sn](Cl)(CCCC)CCCC Tributyltin chloride 1461-22-9|Tributyltin chloride|Caswell No. 867A|Chlorid tri-n-butylcinicity|Chlorotri-n-butylstannane|Chlorotri-n-butyltin|Chlorotributylstannane|Chlorotributyltin|chlorure de tributyletain|Chlorure de tributylstannane|cloruro de tributilestano|EINECS 215-958-7|EPA Pesticide Chemical Code 083107|Monochlorotributyltin|NSC 22323|Stannane tributylchloro-|Stannane, tributylchloro-|Tin, tri-n-butyl-, chloride|Tri-n-butylchlorostannane|Tri-n-butylchlorotin|Tri-n-butylstannyl chloride|Tri-n-butyltin chloride|Tri-N-butylzinn-chlorid|TRIBUTYL-ZINN-CHLORID|Tributylchlorostannane|Tributylchlorotin|Tributylstannium chloride|Tributylstannyl chloride|Tributylzinnchlorid|UNII-CA82T4QR5F|WR 3396 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027403
ARPathway2016 ARPathway2016_77 Tributyltin chloride 1461-22-9 DTXSID3027403 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCC[Sn](Cl)(CCCC)CCCC Tributyltin chloride 1461-22-9|Tributyltin chloride|Caswell No. 867A|Chlorid tri-n-butylcinicity|Chlorotri-n-butylstannane|Chlorotri-n-butyltin|Chlorotributylstannane|Chlorotributyltin|chlorure de tributyletain|Chlorure de tributylstannane|cloruro de tributilestano|EINECS 215-958-7|EPA Pesticide Chemical Code 083107|Monochlorotributyltin|NSC 22323|Stannane tributylchloro-|Stannane, tributylchloro-|Tin, tri-n-butyl-, chloride|Tri-n-butylchlorostannane|Tri-n-butylchlorotin|Tri-n-butylstannyl chloride|Tri-n-butyltin chloride|Tri-N-butylzinn-chlorid|TRIBUTYL-ZINN-CHLORID|Tributylchlorostannane|Tributylchlorotin|Tributylstannium chloride|Tributylstannyl chloride|Tributylzinnchlorid|UNII-CA82T4QR5F|WR 3396 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027403
ERPathway2016 ERPathway2016_76 Tributyltin chloride 1461-22-9 DTXSID3027403 Antagonist ER Pathway Model, Agonist AC50 0.591069895664346 uM CCCC[Sn](Cl)(CCCC)CCCC Tributyltin chloride 1461-22-9|Tributyltin chloride|Caswell No. 867A|Chlorid tri-n-butylcinicity|Chlorotri-n-butylstannane|Chlorotri-n-butyltin|Chlorotributylstannane|Chlorotributyltin|chlorure de tributyletain|Chlorure de tributylstannane|cloruro de tributilestano|EINECS 215-958-7|EPA Pesticide Chemical Code 083107|Monochlorotributyltin|NSC 22323|Stannane tributylchloro-|Stannane, tributylchloro-|Tin, tri-n-butyl-, chloride|Tri-n-butylchlorostannane|Tri-n-butylchlorotin|Tri-n-butylstannyl chloride|Tri-n-butyltin chloride|Tri-N-butylzinn-chlorid|TRIBUTYL-ZINN-CHLORID|Tributylchlorostannane|Tributylchlorotin|Tributylstannium chloride|Tributylstannyl chloride|Tributylzinnchlorid|UNII-CA82T4QR5F|WR 3396 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027403
ERPathway2016 ERPathway2016_76 Tributyltin chloride 1461-22-9 DTXSID3027403 Antagonist ER Pathway Model, Agonist ACC 0.921193677354315 uM CCCC[Sn](Cl)(CCCC)CCCC Tributyltin chloride 1461-22-9|Tributyltin chloride|Caswell No. 867A|Chlorid tri-n-butylcinicity|Chlorotri-n-butylstannane|Chlorotri-n-butyltin|Chlorotributylstannane|Chlorotributyltin|chlorure de tributyletain|Chlorure de tributylstannane|cloruro de tributilestano|EINECS 215-958-7|EPA Pesticide Chemical Code 083107|Monochlorotributyltin|NSC 22323|Stannane tributylchloro-|Stannane, tributylchloro-|Tin, tri-n-butyl-, chloride|Tri-n-butylchlorostannane|Tri-n-butylchlorotin|Tri-n-butylstannyl chloride|Tri-n-butyltin chloride|Tri-N-butylzinn-chlorid|TRIBUTYL-ZINN-CHLORID|Tributylchlorostannane|Tributylchlorotin|Tributylstannium chloride|Tributylstannyl chloride|Tributylzinnchlorid|UNII-CA82T4QR5F|WR 3396 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027403
ERPathway2016 ERPathway2016_76 Tributyltin chloride 1461-22-9 DTXSID3027403 Antagonist ER Pathway Model, Agonist Model Score 0 Unitless CCCC[Sn](Cl)(CCCC)CCCC Tributyltin chloride 1461-22-9|Tributyltin chloride|Caswell No. 867A|Chlorid tri-n-butylcinicity|Chlorotri-n-butylstannane|Chlorotri-n-butyltin|Chlorotributylstannane|Chlorotributyltin|chlorure de tributyletain|Chlorure de tributylstannane|cloruro de tributilestano|EINECS 215-958-7|EPA Pesticide Chemical Code 083107|Monochlorotributyltin|NSC 22323|Stannane tributylchloro-|Stannane, tributylchloro-|Tin, tri-n-butyl-, chloride|Tri-n-butylchlorostannane|Tri-n-butylchlorotin|Tri-n-butylstannyl chloride|Tri-n-butyltin chloride|Tri-N-butylzinn-chlorid|TRIBUTYL-ZINN-CHLORID|Tributylchlorostannane|Tributylchlorotin|Tributylstannium chloride|Tributylstannyl chloride|Tributylzinnchlorid|UNII-CA82T4QR5F|WR 3396 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027403
ERPathway2016 ERPathway2016_76 Tributyltin chloride 1461-22-9 DTXSID3027403 Antagonist ER Pathway Model, Antagonist Model Score 0.114 Unitless CCCC[Sn](Cl)(CCCC)CCCC Tributyltin chloride 1461-22-9|Tributyltin chloride|Caswell No. 867A|Chlorid tri-n-butylcinicity|Chlorotri-n-butylstannane|Chlorotri-n-butyltin|Chlorotributylstannane|Chlorotributyltin|chlorure de tributyletain|Chlorure de tributylstannane|cloruro de tributilestano|EINECS 215-958-7|EPA Pesticide Chemical Code 083107|Monochlorotributyltin|NSC 22323|Stannane tributylchloro-|Stannane, tributylchloro-|Tin, tri-n-butyl-, chloride|Tri-n-butylchlorostannane|Tri-n-butylchlorotin|Tri-n-butylstannyl chloride|Tri-n-butyltin chloride|Tri-N-butylzinn-chlorid|TRIBUTYL-ZINN-CHLORID|Tributylchlorostannane|Tributylchlorotin|Tributylstannium chloride|Tributylstannyl chloride|Tributylzinnchlorid|UNII-CA82T4QR5F|WR 3396 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027403
ERPathway2016 ERPathway2016_76 Tributyltin chloride 1461-22-9 DTXSID3027403 Antagonist ER Pathway Model, Agonist Call Active Unitless CCCC[Sn](Cl)(CCCC)CCCC Tributyltin chloride 1461-22-9|Tributyltin chloride|Caswell No. 867A|Chlorid tri-n-butylcinicity|Chlorotri-n-butylstannane|Chlorotri-n-butyltin|Chlorotributylstannane|Chlorotributyltin|chlorure de tributyletain|Chlorure de tributylstannane|cloruro de tributilestano|EINECS 215-958-7|EPA Pesticide Chemical Code 083107|Monochlorotributyltin|NSC 22323|Stannane tributylchloro-|Stannane, tributylchloro-|Tin, tri-n-butyl-, chloride|Tri-n-butylchlorostannane|Tri-n-butylchlorotin|Tri-n-butylstannyl chloride|Tri-n-butyltin chloride|Tri-N-butylzinn-chlorid|TRIBUTYL-ZINN-CHLORID|Tributylchlorostannane|Tributylchlorotin|Tributylstannium chloride|Tributylstannyl chloride|Tributylzinnchlorid|UNII-CA82T4QR5F|WR 3396 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027403
ERPathway2016 ERPathway2016_76 Tributyltin chloride 1461-22-9 DTXSID3027403 Antagonist ER Pathway Model, Antagonist Call Inactive Unitless CCCC[Sn](Cl)(CCCC)CCCC Tributyltin chloride 1461-22-9|Tributyltin chloride|Caswell No. 867A|Chlorid tri-n-butylcinicity|Chlorotri-n-butylstannane|Chlorotri-n-butyltin|Chlorotributylstannane|Chlorotributyltin|chlorure de tributyletain|Chlorure de tributylstannane|cloruro de tributilestano|EINECS 215-958-7|EPA Pesticide Chemical Code 083107|Monochlorotributyltin|NSC 22323|Stannane tributylchloro-|Stannane, tributylchloro-|Tin, tri-n-butyl-, chloride|Tri-n-butylchlorostannane|Tri-n-butylchlorotin|Tri-n-butylstannyl chloride|Tri-n-butyltin chloride|Tri-N-butylzinn-chlorid|TRIBUTYL-ZINN-CHLORID|Tributylchlorostannane|Tributylchlorotin|Tributylstannium chloride|Tributylstannyl chloride|Tributylzinnchlorid|UNII-CA82T4QR5F|WR 3396 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3027403
ARPathway2016 ARPathway2016_110 Tributyltin methacrylate 2155-70-6 DTXSID9035204 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 1.20742769659919 uM CCCC[Sn](CCCC)(CCCC)OC(=O)C(C)=C Tributyltin methacrylate 2155-70-6|Tributyltin methacrylate|((Methacryloyl)oxy)tributylstannane|2-Propenoic acid, 2-methyl-, tributylstannyl ester|Caswell No. 867EF|EINECS 218-452-4|EPA Pesticide Chemical Code 083120|NSC 221239|Stannane, ((methacryloyl)oxy)tributyl-|Stannane, tributyl(2-methyl-1-oxo-2-propenyl)oxy-|Tin tributylmethacrylate|Tributyl((2-methyl-1-oxo-2-propenyl)oxy)stannane|Tributyl(methacryloxy)stannane|Tributylstannyl methacrylate|154194-72-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035204
ARPathway2016 ARPathway2016_110 Tributyltin methacrylate 2155-70-6 DTXSID9035204 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 1.09123073507192 uM CCCC[Sn](CCCC)(CCCC)OC(=O)C(C)=C Tributyltin methacrylate 2155-70-6|Tributyltin methacrylate|((Methacryloyl)oxy)tributylstannane|2-Propenoic acid, 2-methyl-, tributylstannyl ester|Caswell No. 867EF|EINECS 218-452-4|EPA Pesticide Chemical Code 083120|NSC 221239|Stannane, ((methacryloyl)oxy)tributyl-|Stannane, tributyl(2-methyl-1-oxo-2-propenyl)oxy-|Tin tributylmethacrylate|Tributyl((2-methyl-1-oxo-2-propenyl)oxy)stannane|Tributyl(methacryloxy)stannane|Tributylstannyl methacrylate|154194-72-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035204
ARPathway2016 ARPathway2016_110 Tributyltin methacrylate 2155-70-6 DTXSID9035204 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.605 Unitless CCCC[Sn](CCCC)(CCCC)OC(=O)C(C)=C Tributyltin methacrylate 2155-70-6|Tributyltin methacrylate|((Methacryloyl)oxy)tributylstannane|2-Propenoic acid, 2-methyl-, tributylstannyl ester|Caswell No. 867EF|EINECS 218-452-4|EPA Pesticide Chemical Code 083120|NSC 221239|Stannane, ((methacryloyl)oxy)tributyl-|Stannane, tributyl(2-methyl-1-oxo-2-propenyl)oxy-|Tin tributylmethacrylate|Tributyl((2-methyl-1-oxo-2-propenyl)oxy)stannane|Tributyl(methacryloxy)stannane|Tributylstannyl methacrylate|154194-72-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035204
ARPathway2016 ARPathway2016_110 Tributyltin methacrylate 2155-70-6 DTXSID9035204 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCC[Sn](CCCC)(CCCC)OC(=O)C(C)=C Tributyltin methacrylate 2155-70-6|Tributyltin methacrylate|((Methacryloyl)oxy)tributylstannane|2-Propenoic acid, 2-methyl-, tributylstannyl ester|Caswell No. 867EF|EINECS 218-452-4|EPA Pesticide Chemical Code 083120|NSC 221239|Stannane, ((methacryloyl)oxy)tributyl-|Stannane, tributyl(2-methyl-1-oxo-2-propenyl)oxy-|Tin tributylmethacrylate|Tributyl((2-methyl-1-oxo-2-propenyl)oxy)stannane|Tributyl(methacryloxy)stannane|Tributylstannyl methacrylate|154194-72-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035204
ARPathway2016 ARPathway2016_110 Tributyltin methacrylate 2155-70-6 DTXSID9035204 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCC[Sn](CCCC)(CCCC)OC(=O)C(C)=C Tributyltin methacrylate 2155-70-6|Tributyltin methacrylate|((Methacryloyl)oxy)tributylstannane|2-Propenoic acid, 2-methyl-, tributylstannyl ester|Caswell No. 867EF|EINECS 218-452-4|EPA Pesticide Chemical Code 083120|NSC 221239|Stannane, ((methacryloyl)oxy)tributyl-|Stannane, tributyl(2-methyl-1-oxo-2-propenyl)oxy-|Tin tributylmethacrylate|Tributyl((2-methyl-1-oxo-2-propenyl)oxy)stannane|Tributyl(methacryloxy)stannane|Tributylstannyl methacrylate|154194-72-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035204
ARPathway2016 ARPathway2016_110 Tributyltin methacrylate 2155-70-6 DTXSID9035204 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCC[Sn](CCCC)(CCCC)OC(=O)C(C)=C Tributyltin methacrylate 2155-70-6|Tributyltin methacrylate|((Methacryloyl)oxy)tributylstannane|2-Propenoic acid, 2-methyl-, tributylstannyl ester|Caswell No. 867EF|EINECS 218-452-4|EPA Pesticide Chemical Code 083120|NSC 221239|Stannane, ((methacryloyl)oxy)tributyl-|Stannane, tributyl(2-methyl-1-oxo-2-propenyl)oxy-|Tin tributylmethacrylate|Tributyl((2-methyl-1-oxo-2-propenyl)oxy)stannane|Tributyl(methacryloxy)stannane|Tributylstannyl methacrylate|154194-72-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035204
ERPathway2016 ERPathway2016_77 Tributyltin methacrylate 2155-70-6 DTXSID9035204 Antagonist ER Pathway Model, Agonist AC50 0.848659110742901 uM CCCC[Sn](CCCC)(CCCC)OC(=O)C(C)=C Tributyltin methacrylate 2155-70-6|Tributyltin methacrylate|((Methacryloyl)oxy)tributylstannane|2-Propenoic acid, 2-methyl-, tributylstannyl ester|Caswell No. 867EF|EINECS 218-452-4|EPA Pesticide Chemical Code 083120|NSC 221239|Stannane, ((methacryloyl)oxy)tributyl-|Stannane, tributyl(2-methyl-1-oxo-2-propenyl)oxy-|Tin tributylmethacrylate|Tributyl((2-methyl-1-oxo-2-propenyl)oxy)stannane|Tributyl(methacryloxy)stannane|Tributylstannyl methacrylate|154194-72-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035204
ERPathway2016 ERPathway2016_77 Tributyltin methacrylate 2155-70-6 DTXSID9035204 Antagonist ER Pathway Model, Agonist ACC 1.15906446742152 uM CCCC[Sn](CCCC)(CCCC)OC(=O)C(C)=C Tributyltin methacrylate 2155-70-6|Tributyltin methacrylate|((Methacryloyl)oxy)tributylstannane|2-Propenoic acid, 2-methyl-, tributylstannyl ester|Caswell No. 867EF|EINECS 218-452-4|EPA Pesticide Chemical Code 083120|NSC 221239|Stannane, ((methacryloyl)oxy)tributyl-|Stannane, tributyl(2-methyl-1-oxo-2-propenyl)oxy-|Tin tributylmethacrylate|Tributyl((2-methyl-1-oxo-2-propenyl)oxy)stannane|Tributyl(methacryloxy)stannane|Tributylstannyl methacrylate|154194-72-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035204
ERPathway2016 ERPathway2016_77 Tributyltin methacrylate 2155-70-6 DTXSID9035204 Antagonist ER Pathway Model, Agonist Model Score 0 Unitless CCCC[Sn](CCCC)(CCCC)OC(=O)C(C)=C Tributyltin methacrylate 2155-70-6|Tributyltin methacrylate|((Methacryloyl)oxy)tributylstannane|2-Propenoic acid, 2-methyl-, tributylstannyl ester|Caswell No. 867EF|EINECS 218-452-4|EPA Pesticide Chemical Code 083120|NSC 221239|Stannane, ((methacryloyl)oxy)tributyl-|Stannane, tributyl(2-methyl-1-oxo-2-propenyl)oxy-|Tin tributylmethacrylate|Tributyl((2-methyl-1-oxo-2-propenyl)oxy)stannane|Tributyl(methacryloxy)stannane|Tributylstannyl methacrylate|154194-72-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035204
ERPathway2016 ERPathway2016_77 Tributyltin methacrylate 2155-70-6 DTXSID9035204 Antagonist ER Pathway Model, Antagonist Model Score 0.132 Unitless CCCC[Sn](CCCC)(CCCC)OC(=O)C(C)=C Tributyltin methacrylate 2155-70-6|Tributyltin methacrylate|((Methacryloyl)oxy)tributylstannane|2-Propenoic acid, 2-methyl-, tributylstannyl ester|Caswell No. 867EF|EINECS 218-452-4|EPA Pesticide Chemical Code 083120|NSC 221239|Stannane, ((methacryloyl)oxy)tributyl-|Stannane, tributyl(2-methyl-1-oxo-2-propenyl)oxy-|Tin tributylmethacrylate|Tributyl((2-methyl-1-oxo-2-propenyl)oxy)stannane|Tributyl(methacryloxy)stannane|Tributylstannyl methacrylate|154194-72-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035204
ERPathway2016 ERPathway2016_77 Tributyltin methacrylate 2155-70-6 DTXSID9035204 Antagonist ER Pathway Model, Agonist Call Active Unitless CCCC[Sn](CCCC)(CCCC)OC(=O)C(C)=C Tributyltin methacrylate 2155-70-6|Tributyltin methacrylate|((Methacryloyl)oxy)tributylstannane|2-Propenoic acid, 2-methyl-, tributylstannyl ester|Caswell No. 867EF|EINECS 218-452-4|EPA Pesticide Chemical Code 083120|NSC 221239|Stannane, ((methacryloyl)oxy)tributyl-|Stannane, tributyl(2-methyl-1-oxo-2-propenyl)oxy-|Tin tributylmethacrylate|Tributyl((2-methyl-1-oxo-2-propenyl)oxy)stannane|Tributyl(methacryloxy)stannane|Tributylstannyl methacrylate|154194-72-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035204
ERPathway2016 ERPathway2016_77 Tributyltin methacrylate 2155-70-6 DTXSID9035204 Antagonist ER Pathway Model, Antagonist Call Inactive Unitless CCCC[Sn](CCCC)(CCCC)OC(=O)C(C)=C Tributyltin methacrylate 2155-70-6|Tributyltin methacrylate|((Methacryloyl)oxy)tributylstannane|2-Propenoic acid, 2-methyl-, tributylstannyl ester|Caswell No. 867EF|EINECS 218-452-4|EPA Pesticide Chemical Code 083120|NSC 221239|Stannane, ((methacryloyl)oxy)tributyl-|Stannane, tributyl(2-methyl-1-oxo-2-propenyl)oxy-|Tin tributylmethacrylate|Tributyl((2-methyl-1-oxo-2-propenyl)oxy)stannane|Tributyl(methacryloxy)stannane|Tributylstannyl methacrylate|154194-72-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9035204
ARPathway2016 ARPathway2016_1280 Trichlorfon 52-68-6 DTXSID0021389 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COP(=O)(OC)C(O)C(Cl)(Cl)Cl Trichlorfon 52-68-6|Trichlorfon|(.+-.)-Trichlorfon|(+/-)-Trichlorfon|(2,2,2-Trichloro-1-hydroxyethyl)-phosphonic acid dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphonic acid, dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphoric acid dimethyl ester|1-Hydroxy-2,2,2-trichloro-ethyle phosphonate de dimethyle|1-Hydroxy-2,2,2-trichloroethylphosphonate-O,O-dimethyl ester|1-Hydroxy-2,2,2-trichloroethylphosphonic acid dimethyl ester|Agroforotox|Bayer 15922|Bayer Advanced 24hr Grub control|Bayer L 13/59|Bayer L 1359|Bilarcil|Bovinox|Britten|BRN 1709434|C-1147|Caswell No. 385|Cekufon|Chlorak|Chlorfos|Chlorofos|Chloroftalm|Chlorophos|Chlorophosciclosom|Chlorophthalm|Chloroxyphos|Chlorphos|Ciclosom|Clorofos|Combot equine|Denkaphon|Depthon|Dibaichong|Dicontal Fort|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl phosphine oxide|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl-phosphine oxide|Dimethyl (1-hydroxy-2,2,2-trichloroethyl)phosphonate|Dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate|Dimethyl 1-hydroxy-2,2,2-trichloroethyl phosphonate|Dimethyl |1081812-64-7|37333-09-8|50924-44-2|56042-25-2|66758-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021389
ARPathway2016 ARPathway2016_1280 Trichlorfon 52-68-6 DTXSID0021389 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COP(=O)(OC)C(O)C(Cl)(Cl)Cl Trichlorfon 52-68-6|Trichlorfon|(.+-.)-Trichlorfon|(+/-)-Trichlorfon|(2,2,2-Trichloro-1-hydroxyethyl)-phosphonic acid dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphonic acid, dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphoric acid dimethyl ester|1-Hydroxy-2,2,2-trichloro-ethyle phosphonate de dimethyle|1-Hydroxy-2,2,2-trichloroethylphosphonate-O,O-dimethyl ester|1-Hydroxy-2,2,2-trichloroethylphosphonic acid dimethyl ester|Agroforotox|Bayer 15922|Bayer Advanced 24hr Grub control|Bayer L 13/59|Bayer L 1359|Bilarcil|Bovinox|Britten|BRN 1709434|C-1147|Caswell No. 385|Cekufon|Chlorak|Chlorfos|Chlorofos|Chloroftalm|Chlorophos|Chlorophosciclosom|Chlorophthalm|Chloroxyphos|Chlorphos|Ciclosom|Clorofos|Combot equine|Denkaphon|Depthon|Dibaichong|Dicontal Fort|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl phosphine oxide|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl-phosphine oxide|Dimethyl (1-hydroxy-2,2,2-trichloroethyl)phosphonate|Dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate|Dimethyl 1-hydroxy-2,2,2-trichloroethyl phosphonate|Dimethyl |1081812-64-7|37333-09-8|50924-44-2|56042-25-2|66758-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021389
ARPathway2016 ARPathway2016_1280 Trichlorfon 52-68-6 DTXSID0021389 0.0 AR Pathway Model, Agonist Call Inactive Unitless COP(=O)(OC)C(O)C(Cl)(Cl)Cl Trichlorfon 52-68-6|Trichlorfon|(.+-.)-Trichlorfon|(+/-)-Trichlorfon|(2,2,2-Trichloro-1-hydroxyethyl)-phosphonic acid dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphonic acid, dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphoric acid dimethyl ester|1-Hydroxy-2,2,2-trichloro-ethyle phosphonate de dimethyle|1-Hydroxy-2,2,2-trichloroethylphosphonate-O,O-dimethyl ester|1-Hydroxy-2,2,2-trichloroethylphosphonic acid dimethyl ester|Agroforotox|Bayer 15922|Bayer Advanced 24hr Grub control|Bayer L 13/59|Bayer L 1359|Bilarcil|Bovinox|Britten|BRN 1709434|C-1147|Caswell No. 385|Cekufon|Chlorak|Chlorfos|Chlorofos|Chloroftalm|Chlorophos|Chlorophosciclosom|Chlorophthalm|Chloroxyphos|Chlorphos|Ciclosom|Clorofos|Combot equine|Denkaphon|Depthon|Dibaichong|Dicontal Fort|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl phosphine oxide|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl-phosphine oxide|Dimethyl (1-hydroxy-2,2,2-trichloroethyl)phosphonate|Dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate|Dimethyl 1-hydroxy-2,2,2-trichloroethyl phosphonate|Dimethyl |1081812-64-7|37333-09-8|50924-44-2|56042-25-2|66758-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021389
ARPathway2016 ARPathway2016_1280 Trichlorfon 52-68-6 DTXSID0021389 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COP(=O)(OC)C(O)C(Cl)(Cl)Cl Trichlorfon 52-68-6|Trichlorfon|(.+-.)-Trichlorfon|(+/-)-Trichlorfon|(2,2,2-Trichloro-1-hydroxyethyl)-phosphonic acid dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphonic acid, dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphoric acid dimethyl ester|1-Hydroxy-2,2,2-trichloro-ethyle phosphonate de dimethyle|1-Hydroxy-2,2,2-trichloroethylphosphonate-O,O-dimethyl ester|1-Hydroxy-2,2,2-trichloroethylphosphonic acid dimethyl ester|Agroforotox|Bayer 15922|Bayer Advanced 24hr Grub control|Bayer L 13/59|Bayer L 1359|Bilarcil|Bovinox|Britten|BRN 1709434|C-1147|Caswell No. 385|Cekufon|Chlorak|Chlorfos|Chlorofos|Chloroftalm|Chlorophos|Chlorophosciclosom|Chlorophthalm|Chloroxyphos|Chlorphos|Ciclosom|Clorofos|Combot equine|Denkaphon|Depthon|Dibaichong|Dicontal Fort|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl phosphine oxide|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl-phosphine oxide|Dimethyl (1-hydroxy-2,2,2-trichloroethyl)phosphonate|Dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate|Dimethyl 1-hydroxy-2,2,2-trichloroethyl phosphonate|Dimethyl |1081812-64-7|37333-09-8|50924-44-2|56042-25-2|66758-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021389
ERPathway2016 ERPathway2016_290 Trichlorfon 52-68-6 DTXSID0021389 ER Pathway Model, Antagonist AC50 26.3520523530118 uM COP(=O)(OC)C(O)C(Cl)(Cl)Cl Trichlorfon 52-68-6|Trichlorfon|(.+-.)-Trichlorfon|(+/-)-Trichlorfon|(2,2,2-Trichloro-1-hydroxyethyl)-phosphonic acid dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphonic acid, dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphoric acid dimethyl ester|1-Hydroxy-2,2,2-trichloro-ethyle phosphonate de dimethyle|1-Hydroxy-2,2,2-trichloroethylphosphonate-O,O-dimethyl ester|1-Hydroxy-2,2,2-trichloroethylphosphonic acid dimethyl ester|Agroforotox|Bayer 15922|Bayer Advanced 24hr Grub control|Bayer L 13/59|Bayer L 1359|Bilarcil|Bovinox|Britten|BRN 1709434|C-1147|Caswell No. 385|Cekufon|Chlorak|Chlorfos|Chlorofos|Chloroftalm|Chlorophos|Chlorophosciclosom|Chlorophthalm|Chloroxyphos|Chlorphos|Ciclosom|Clorofos|Combot equine|Denkaphon|Depthon|Dibaichong|Dicontal Fort|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl phosphine oxide|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl-phosphine oxide|Dimethyl (1-hydroxy-2,2,2-trichloroethyl)phosphonate|Dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate|Dimethyl 1-hydroxy-2,2,2-trichloroethyl phosphonate|Dimethyl |1081812-64-7|37333-09-8|50924-44-2|56042-25-2|66758-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021389
ERPathway2016 ERPathway2016_290 Trichlorfon 52-68-6 DTXSID0021389 ER Pathway Model, Antagonist ACC 20.1831960227 uM COP(=O)(OC)C(O)C(Cl)(Cl)Cl Trichlorfon 52-68-6|Trichlorfon|(.+-.)-Trichlorfon|(+/-)-Trichlorfon|(2,2,2-Trichloro-1-hydroxyethyl)-phosphonic acid dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphonic acid, dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphoric acid dimethyl ester|1-Hydroxy-2,2,2-trichloro-ethyle phosphonate de dimethyle|1-Hydroxy-2,2,2-trichloroethylphosphonate-O,O-dimethyl ester|1-Hydroxy-2,2,2-trichloroethylphosphonic acid dimethyl ester|Agroforotox|Bayer 15922|Bayer Advanced 24hr Grub control|Bayer L 13/59|Bayer L 1359|Bilarcil|Bovinox|Britten|BRN 1709434|C-1147|Caswell No. 385|Cekufon|Chlorak|Chlorfos|Chlorofos|Chloroftalm|Chlorophos|Chlorophosciclosom|Chlorophthalm|Chloroxyphos|Chlorphos|Ciclosom|Clorofos|Combot equine|Denkaphon|Depthon|Dibaichong|Dicontal Fort|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl phosphine oxide|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl-phosphine oxide|Dimethyl (1-hydroxy-2,2,2-trichloroethyl)phosphonate|Dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate|Dimethyl 1-hydroxy-2,2,2-trichloroethyl phosphonate|Dimethyl |1081812-64-7|37333-09-8|50924-44-2|56042-25-2|66758-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021389
ERPathway2016 ERPathway2016_290 Trichlorfon 52-68-6 DTXSID0021389 ER Pathway Model, Agonist Model Score 0.0405 Unitless COP(=O)(OC)C(O)C(Cl)(Cl)Cl Trichlorfon 52-68-6|Trichlorfon|(.+-.)-Trichlorfon|(+/-)-Trichlorfon|(2,2,2-Trichloro-1-hydroxyethyl)-phosphonic acid dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphonic acid, dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphoric acid dimethyl ester|1-Hydroxy-2,2,2-trichloro-ethyle phosphonate de dimethyle|1-Hydroxy-2,2,2-trichloroethylphosphonate-O,O-dimethyl ester|1-Hydroxy-2,2,2-trichloroethylphosphonic acid dimethyl ester|Agroforotox|Bayer 15922|Bayer Advanced 24hr Grub control|Bayer L 13/59|Bayer L 1359|Bilarcil|Bovinox|Britten|BRN 1709434|C-1147|Caswell No. 385|Cekufon|Chlorak|Chlorfos|Chlorofos|Chloroftalm|Chlorophos|Chlorophosciclosom|Chlorophthalm|Chloroxyphos|Chlorphos|Ciclosom|Clorofos|Combot equine|Denkaphon|Depthon|Dibaichong|Dicontal Fort|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl phosphine oxide|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl-phosphine oxide|Dimethyl (1-hydroxy-2,2,2-trichloroethyl)phosphonate|Dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate|Dimethyl 1-hydroxy-2,2,2-trichloroethyl phosphonate|Dimethyl |1081812-64-7|37333-09-8|50924-44-2|56042-25-2|66758-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021389
ERPathway2016 ERPathway2016_290 Trichlorfon 52-68-6 DTXSID0021389 ER Pathway Model, Antagonist Model Score 0.00361 Unitless COP(=O)(OC)C(O)C(Cl)(Cl)Cl Trichlorfon 52-68-6|Trichlorfon|(.+-.)-Trichlorfon|(+/-)-Trichlorfon|(2,2,2-Trichloro-1-hydroxyethyl)-phosphonic acid dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphonic acid, dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphoric acid dimethyl ester|1-Hydroxy-2,2,2-trichloro-ethyle phosphonate de dimethyle|1-Hydroxy-2,2,2-trichloroethylphosphonate-O,O-dimethyl ester|1-Hydroxy-2,2,2-trichloroethylphosphonic acid dimethyl ester|Agroforotox|Bayer 15922|Bayer Advanced 24hr Grub control|Bayer L 13/59|Bayer L 1359|Bilarcil|Bovinox|Britten|BRN 1709434|C-1147|Caswell No. 385|Cekufon|Chlorak|Chlorfos|Chlorofos|Chloroftalm|Chlorophos|Chlorophosciclosom|Chlorophthalm|Chloroxyphos|Chlorphos|Ciclosom|Clorofos|Combot equine|Denkaphon|Depthon|Dibaichong|Dicontal Fort|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl phosphine oxide|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl-phosphine oxide|Dimethyl (1-hydroxy-2,2,2-trichloroethyl)phosphonate|Dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate|Dimethyl 1-hydroxy-2,2,2-trichloroethyl phosphonate|Dimethyl |1081812-64-7|37333-09-8|50924-44-2|56042-25-2|66758-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021389
ERPathway2016 ERPathway2016_290 Trichlorfon 52-68-6 DTXSID0021389 ER Pathway Model, Agonist Call Inactive Unitless COP(=O)(OC)C(O)C(Cl)(Cl)Cl Trichlorfon 52-68-6|Trichlorfon|(.+-.)-Trichlorfon|(+/-)-Trichlorfon|(2,2,2-Trichloro-1-hydroxyethyl)-phosphonic acid dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphonic acid, dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphoric acid dimethyl ester|1-Hydroxy-2,2,2-trichloro-ethyle phosphonate de dimethyle|1-Hydroxy-2,2,2-trichloroethylphosphonate-O,O-dimethyl ester|1-Hydroxy-2,2,2-trichloroethylphosphonic acid dimethyl ester|Agroforotox|Bayer 15922|Bayer Advanced 24hr Grub control|Bayer L 13/59|Bayer L 1359|Bilarcil|Bovinox|Britten|BRN 1709434|C-1147|Caswell No. 385|Cekufon|Chlorak|Chlorfos|Chlorofos|Chloroftalm|Chlorophos|Chlorophosciclosom|Chlorophthalm|Chloroxyphos|Chlorphos|Ciclosom|Clorofos|Combot equine|Denkaphon|Depthon|Dibaichong|Dicontal Fort|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl phosphine oxide|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl-phosphine oxide|Dimethyl (1-hydroxy-2,2,2-trichloroethyl)phosphonate|Dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate|Dimethyl 1-hydroxy-2,2,2-trichloroethyl phosphonate|Dimethyl |1081812-64-7|37333-09-8|50924-44-2|56042-25-2|66758-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021389
ERPathway2016 ERPathway2016_290 Trichlorfon 52-68-6 DTXSID0021389 ER Pathway Model, Antagonist Call Active Unitless COP(=O)(OC)C(O)C(Cl)(Cl)Cl Trichlorfon 52-68-6|Trichlorfon|(.+-.)-Trichlorfon|(+/-)-Trichlorfon|(2,2,2-Trichloro-1-hydroxyethyl)-phosphonic acid dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphonic acid, dimethyl ester|(2,2,2-Trichloro-1-hydroxyethyl)phosphoric acid dimethyl ester|1-Hydroxy-2,2,2-trichloro-ethyle phosphonate de dimethyle|1-Hydroxy-2,2,2-trichloroethylphosphonate-O,O-dimethyl ester|1-Hydroxy-2,2,2-trichloroethylphosphonic acid dimethyl ester|Agroforotox|Bayer 15922|Bayer Advanced 24hr Grub control|Bayer L 13/59|Bayer L 1359|Bilarcil|Bovinox|Britten|BRN 1709434|C-1147|Caswell No. 385|Cekufon|Chlorak|Chlorfos|Chlorofos|Chloroftalm|Chlorophos|Chlorophosciclosom|Chlorophthalm|Chloroxyphos|Chlorphos|Ciclosom|Clorofos|Combot equine|Denkaphon|Depthon|Dibaichong|Dicontal Fort|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl phosphine oxide|Dimethoxy-2,2,2-trichloro-1-hydroxy-ethyl-phosphine oxide|Dimethyl (1-hydroxy-2,2,2-trichloroethyl)phosphonate|Dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate|Dimethyl 1-hydroxy-2,2,2-trichloroethyl phosphonate|Dimethyl |1081812-64-7|37333-09-8|50924-44-2|56042-25-2|66758-31-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021389
ARPathway2016 ARPathway2016_1535 Trichloroacetic acid 76-03-9 DTXSID1021378 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C(Cl)(Cl)Cl Trichloroacetic acid 76-03-9|Trichloroacetic acid|2,2,2-Trichloroacetic acid|4-02-00-00508|Acetic acid, 2,2,2-trichloro-|Acetic acid, trichloro-|Aceto-Caustin|Acide trichloracetique|Acide trichloroacetique|acido tricloroacetico|Amchem Grass Killer|BRN 0970119|Caswell No. 870|EC No.: 200-927-2|EINECS 200-927-2|EPA Pesticide Chemical Code 081002|Konesta|Kyselina trichloroctova|NSC 215204|NSC 77363|TCA|TCA (acid)|TCAA|TKhU|TKhUK|Trichloorazijnzuur|Trichloracetic acid|TRICHLORESSIGSAEURE|Trichloressigsaure|Trichloroacetate|trichloroacetic acid|Trichloroethanoic acid|Trichloromethanecarboxylic acid|UN 1839|UN 2564|UNII-5V2JDO056X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021378 https://doi.org/10.22427/NTP-DATA-DTXSID1021378
ARPathway2016 ARPathway2016_1535 Trichloroacetic acid 76-03-9 DTXSID1021378 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C(Cl)(Cl)Cl Trichloroacetic acid 76-03-9|Trichloroacetic acid|2,2,2-Trichloroacetic acid|4-02-00-00508|Acetic acid, 2,2,2-trichloro-|Acetic acid, trichloro-|Aceto-Caustin|Acide trichloracetique|Acide trichloroacetique|acido tricloroacetico|Amchem Grass Killer|BRN 0970119|Caswell No. 870|EC No.: 200-927-2|EINECS 200-927-2|EPA Pesticide Chemical Code 081002|Konesta|Kyselina trichloroctova|NSC 215204|NSC 77363|TCA|TCA (acid)|TCAA|TKhU|TKhUK|Trichloorazijnzuur|Trichloracetic acid|TRICHLORESSIGSAEURE|Trichloressigsaure|Trichloroacetate|trichloroacetic acid|Trichloroethanoic acid|Trichloromethanecarboxylic acid|UN 1839|UN 2564|UNII-5V2JDO056X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021378 https://doi.org/10.22427/NTP-DATA-DTXSID1021378
ARPathway2016 ARPathway2016_1535 Trichloroacetic acid 76-03-9 DTXSID1021378 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(Cl)(Cl)Cl Trichloroacetic acid 76-03-9|Trichloroacetic acid|2,2,2-Trichloroacetic acid|4-02-00-00508|Acetic acid, 2,2,2-trichloro-|Acetic acid, trichloro-|Aceto-Caustin|Acide trichloracetique|Acide trichloroacetique|acido tricloroacetico|Amchem Grass Killer|BRN 0970119|Caswell No. 870|EC No.: 200-927-2|EINECS 200-927-2|EPA Pesticide Chemical Code 081002|Konesta|Kyselina trichloroctova|NSC 215204|NSC 77363|TCA|TCA (acid)|TCAA|TKhU|TKhUK|Trichloorazijnzuur|Trichloracetic acid|TRICHLORESSIGSAEURE|Trichloressigsaure|Trichloroacetate|trichloroacetic acid|Trichloroethanoic acid|Trichloromethanecarboxylic acid|UN 1839|UN 2564|UNII-5V2JDO056X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021378 https://doi.org/10.22427/NTP-DATA-DTXSID1021378
ARPathway2016 ARPathway2016_1535 Trichloroacetic acid 76-03-9 DTXSID1021378 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C(Cl)(Cl)Cl Trichloroacetic acid 76-03-9|Trichloroacetic acid|2,2,2-Trichloroacetic acid|4-02-00-00508|Acetic acid, 2,2,2-trichloro-|Acetic acid, trichloro-|Aceto-Caustin|Acide trichloracetique|Acide trichloroacetique|acido tricloroacetico|Amchem Grass Killer|BRN 0970119|Caswell No. 870|EC No.: 200-927-2|EINECS 200-927-2|EPA Pesticide Chemical Code 081002|Konesta|Kyselina trichloroctova|NSC 215204|NSC 77363|TCA|TCA (acid)|TCAA|TKhU|TKhUK|Trichloorazijnzuur|Trichloracetic acid|TRICHLORESSIGSAEURE|Trichloressigsaure|Trichloroacetate|trichloroacetic acid|Trichloroethanoic acid|Trichloromethanecarboxylic acid|UN 1839|UN 2564|UNII-5V2JDO056X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021378 https://doi.org/10.22427/NTP-DATA-DTXSID1021378
ERPathway2016 ERPathway2016_1643 Trichloroacetic acid 76-03-9 DTXSID1021378 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C(Cl)(Cl)Cl Trichloroacetic acid 76-03-9|Trichloroacetic acid|2,2,2-Trichloroacetic acid|4-02-00-00508|Acetic acid, 2,2,2-trichloro-|Acetic acid, trichloro-|Aceto-Caustin|Acide trichloracetique|Acide trichloroacetique|acido tricloroacetico|Amchem Grass Killer|BRN 0970119|Caswell No. 870|EC No.: 200-927-2|EINECS 200-927-2|EPA Pesticide Chemical Code 081002|Konesta|Kyselina trichloroctova|NSC 215204|NSC 77363|TCA|TCA (acid)|TCAA|TKhU|TKhUK|Trichloorazijnzuur|Trichloracetic acid|TRICHLORESSIGSAEURE|Trichloressigsaure|Trichloroacetate|trichloroacetic acid|Trichloroethanoic acid|Trichloromethanecarboxylic acid|UN 1839|UN 2564|UNII-5V2JDO056X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021378 https://doi.org/10.22427/NTP-DATA-DTXSID1021378
ERPathway2016 ERPathway2016_1643 Trichloroacetic acid 76-03-9 DTXSID1021378 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C(Cl)(Cl)Cl Trichloroacetic acid 76-03-9|Trichloroacetic acid|2,2,2-Trichloroacetic acid|4-02-00-00508|Acetic acid, 2,2,2-trichloro-|Acetic acid, trichloro-|Aceto-Caustin|Acide trichloracetique|Acide trichloroacetique|acido tricloroacetico|Amchem Grass Killer|BRN 0970119|Caswell No. 870|EC No.: 200-927-2|EINECS 200-927-2|EPA Pesticide Chemical Code 081002|Konesta|Kyselina trichloroctova|NSC 215204|NSC 77363|TCA|TCA (acid)|TCAA|TKhU|TKhUK|Trichloorazijnzuur|Trichloracetic acid|TRICHLORESSIGSAEURE|Trichloressigsaure|Trichloroacetate|trichloroacetic acid|Trichloroethanoic acid|Trichloromethanecarboxylic acid|UN 1839|UN 2564|UNII-5V2JDO056X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021378 https://doi.org/10.22427/NTP-DATA-DTXSID1021378
ERPathway2016 ERPathway2016_1643 Trichloroacetic acid 76-03-9 DTXSID1021378 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C(Cl)(Cl)Cl Trichloroacetic acid 76-03-9|Trichloroacetic acid|2,2,2-Trichloroacetic acid|4-02-00-00508|Acetic acid, 2,2,2-trichloro-|Acetic acid, trichloro-|Aceto-Caustin|Acide trichloracetique|Acide trichloroacetique|acido tricloroacetico|Amchem Grass Killer|BRN 0970119|Caswell No. 870|EC No.: 200-927-2|EINECS 200-927-2|EPA Pesticide Chemical Code 081002|Konesta|Kyselina trichloroctova|NSC 215204|NSC 77363|TCA|TCA (acid)|TCAA|TKhU|TKhUK|Trichloorazijnzuur|Trichloracetic acid|TRICHLORESSIGSAEURE|Trichloressigsaure|Trichloroacetate|trichloroacetic acid|Trichloroethanoic acid|Trichloromethanecarboxylic acid|UN 1839|UN 2564|UNII-5V2JDO056X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021378 https://doi.org/10.22427/NTP-DATA-DTXSID1021378
ERPathway2016 ERPathway2016_1643 Trichloroacetic acid 76-03-9 DTXSID1021378 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C(Cl)(Cl)Cl Trichloroacetic acid 76-03-9|Trichloroacetic acid|2,2,2-Trichloroacetic acid|4-02-00-00508|Acetic acid, 2,2,2-trichloro-|Acetic acid, trichloro-|Aceto-Caustin|Acide trichloracetique|Acide trichloroacetique|acido tricloroacetico|Amchem Grass Killer|BRN 0970119|Caswell No. 870|EC No.: 200-927-2|EINECS 200-927-2|EPA Pesticide Chemical Code 081002|Konesta|Kyselina trichloroctova|NSC 215204|NSC 77363|TCA|TCA (acid)|TCAA|TKhU|TKhUK|Trichloorazijnzuur|Trichloracetic acid|TRICHLORESSIGSAEURE|Trichloressigsaure|Trichloroacetate|trichloroacetic acid|Trichloroethanoic acid|Trichloromethanecarboxylic acid|UN 1839|UN 2564|UNII-5V2JDO056X https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021378 https://doi.org/10.22427/NTP-DATA-DTXSID1021378
ARPathway2016 ARPathway2016_1 Triclocarban 101-20-2 DTXSID4026214 FLAG: Wrong direction shift (Hit/Hit) 0.0 R5 AR Pathway Model, Agonist AC50 1.63486318612577 uM ClC1=CC=C(NC(=O)NC2=CC=C(Cl)C(Cl)=C2)C=C1 Triclocarban 101-20-2|Triclocarban|1-(3',4'-Dichlorophenyl)-3-(4'-chlorophenyl)urea|1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl) urea|3-(4-Chlorophenyl)-1-(3,4-dichlorophenyl)urea|3,4,4'-TRICHLORCARBANILID|3,4,4'-trichloro carbanilide|3,4,4'-TRICHLOROCARBANILIDE|3,4,4'-Trichlorodiphenylurea|4-12-00-01265|BRN 2814890|Carbanilide, 3,4,4'-trichloro-|Caswell No. 874|Cusiter|Cutisan|EINECS 202-924-1|EPA Pesticide Chemical Code 027901|Genoface|N-(3,4-Dichlorophenyl)-N'-(4-chlorophenyl)urea|N-(4-Chlorophenyl)-N'-(3,4-dichlorophenyl)urea|NSC 72005|NSC-72005|Preventol SB extra|Procutene|Solubacter|TCC|Trichlocarban|TRICHLOROCARBANILIDE|Triclocarbanum|Trilocarban|UNII-BGG1Y1ED0Y|UREA, N-(3,4-DICHLOROPHENYL)-N'-4-CHLOROPHENYL-|Urea, N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026214 https://doi.org/10.22427/NTP-DATA-DTXSID4026214
ARPathway2016 ARPathway2016_1 Triclocarban 101-20-2 DTXSID4026214 FLAG: Wrong direction shift (Hit/Hit) 0.0 R5 AR Pathway Model, Agonist ACC 1.50338250094856 uM ClC1=CC=C(NC(=O)NC2=CC=C(Cl)C(Cl)=C2)C=C1 Triclocarban 101-20-2|Triclocarban|1-(3',4'-Dichlorophenyl)-3-(4'-chlorophenyl)urea|1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl) urea|3-(4-Chlorophenyl)-1-(3,4-dichlorophenyl)urea|3,4,4'-TRICHLORCARBANILID|3,4,4'-trichloro carbanilide|3,4,4'-TRICHLOROCARBANILIDE|3,4,4'-Trichlorodiphenylurea|4-12-00-01265|BRN 2814890|Carbanilide, 3,4,4'-trichloro-|Caswell No. 874|Cusiter|Cutisan|EINECS 202-924-1|EPA Pesticide Chemical Code 027901|Genoface|N-(3,4-Dichlorophenyl)-N'-(4-chlorophenyl)urea|N-(4-Chlorophenyl)-N'-(3,4-dichlorophenyl)urea|NSC 72005|NSC-72005|Preventol SB extra|Procutene|Solubacter|TCC|Trichlocarban|TRICHLOROCARBANILIDE|Triclocarbanum|Trilocarban|UNII-BGG1Y1ED0Y|UREA, N-(3,4-DICHLOROPHENYL)-N'-4-CHLOROPHENYL-|Urea, N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026214 https://doi.org/10.22427/NTP-DATA-DTXSID4026214
ARPathway2016 ARPathway2016_1 Triclocarban 101-20-2 DTXSID4026214 FLAG: Wrong direction shift (Hit/Hit) 0.0 R5 AR Pathway Model, Antagonist Model Score 0.0248 Unitless ClC1=CC=C(NC(=O)NC2=CC=C(Cl)C(Cl)=C2)C=C1 Triclocarban 101-20-2|Triclocarban|1-(3',4'-Dichlorophenyl)-3-(4'-chlorophenyl)urea|1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl) urea|3-(4-Chlorophenyl)-1-(3,4-dichlorophenyl)urea|3,4,4'-TRICHLORCARBANILID|3,4,4'-trichloro carbanilide|3,4,4'-TRICHLOROCARBANILIDE|3,4,4'-Trichlorodiphenylurea|4-12-00-01265|BRN 2814890|Carbanilide, 3,4,4'-trichloro-|Caswell No. 874|Cusiter|Cutisan|EINECS 202-924-1|EPA Pesticide Chemical Code 027901|Genoface|N-(3,4-Dichlorophenyl)-N'-(4-chlorophenyl)urea|N-(4-Chlorophenyl)-N'-(3,4-dichlorophenyl)urea|NSC 72005|NSC-72005|Preventol SB extra|Procutene|Solubacter|TCC|Trichlocarban|TRICHLOROCARBANILIDE|Triclocarbanum|Trilocarban|UNII-BGG1Y1ED0Y|UREA, N-(3,4-DICHLOROPHENYL)-N'-4-CHLOROPHENYL-|Urea, N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026214 https://doi.org/10.22427/NTP-DATA-DTXSID4026214
ARPathway2016 ARPathway2016_1 Triclocarban 101-20-2 DTXSID4026214 FLAG: Wrong direction shift (Hit/Hit) 0.0 R5 AR Pathway Model, Agonist Model Score 0.0194 Unitless ClC1=CC=C(NC(=O)NC2=CC=C(Cl)C(Cl)=C2)C=C1 Triclocarban 101-20-2|Triclocarban|1-(3',4'-Dichlorophenyl)-3-(4'-chlorophenyl)urea|1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl) urea|3-(4-Chlorophenyl)-1-(3,4-dichlorophenyl)urea|3,4,4'-TRICHLORCARBANILID|3,4,4'-trichloro carbanilide|3,4,4'-TRICHLOROCARBANILIDE|3,4,4'-Trichlorodiphenylurea|4-12-00-01265|BRN 2814890|Carbanilide, 3,4,4'-trichloro-|Caswell No. 874|Cusiter|Cutisan|EINECS 202-924-1|EPA Pesticide Chemical Code 027901|Genoface|N-(3,4-Dichlorophenyl)-N'-(4-chlorophenyl)urea|N-(4-Chlorophenyl)-N'-(3,4-dichlorophenyl)urea|NSC 72005|NSC-72005|Preventol SB extra|Procutene|Solubacter|TCC|Trichlocarban|TRICHLOROCARBANILIDE|Triclocarbanum|Trilocarban|UNII-BGG1Y1ED0Y|UREA, N-(3,4-DICHLOROPHENYL)-N'-4-CHLOROPHENYL-|Urea, N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026214 https://doi.org/10.22427/NTP-DATA-DTXSID4026214
ARPathway2016 ARPathway2016_1 Triclocarban 101-20-2 DTXSID4026214 FLAG: Wrong direction shift (Hit/Hit) 0.0 R5 AR Pathway Model, Agonist Call Active Unitless ClC1=CC=C(NC(=O)NC2=CC=C(Cl)C(Cl)=C2)C=C1 Triclocarban 101-20-2|Triclocarban|1-(3',4'-Dichlorophenyl)-3-(4'-chlorophenyl)urea|1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl) urea|3-(4-Chlorophenyl)-1-(3,4-dichlorophenyl)urea|3,4,4'-TRICHLORCARBANILID|3,4,4'-trichloro carbanilide|3,4,4'-TRICHLOROCARBANILIDE|3,4,4'-Trichlorodiphenylurea|4-12-00-01265|BRN 2814890|Carbanilide, 3,4,4'-trichloro-|Caswell No. 874|Cusiter|Cutisan|EINECS 202-924-1|EPA Pesticide Chemical Code 027901|Genoface|N-(3,4-Dichlorophenyl)-N'-(4-chlorophenyl)urea|N-(4-Chlorophenyl)-N'-(3,4-dichlorophenyl)urea|NSC 72005|NSC-72005|Preventol SB extra|Procutene|Solubacter|TCC|Trichlocarban|TRICHLOROCARBANILIDE|Triclocarbanum|Trilocarban|UNII-BGG1Y1ED0Y|UREA, N-(3,4-DICHLOROPHENYL)-N'-4-CHLOROPHENYL-|Urea, N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026214 https://doi.org/10.22427/NTP-DATA-DTXSID4026214
ARPathway2016 ARPathway2016_1 Triclocarban 101-20-2 DTXSID4026214 FLAG: Wrong direction shift (Hit/Hit) 0.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=C(NC(=O)NC2=CC=C(Cl)C(Cl)=C2)C=C1 Triclocarban 101-20-2|Triclocarban|1-(3',4'-Dichlorophenyl)-3-(4'-chlorophenyl)urea|1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl) urea|3-(4-Chlorophenyl)-1-(3,4-dichlorophenyl)urea|3,4,4'-TRICHLORCARBANILID|3,4,4'-trichloro carbanilide|3,4,4'-TRICHLOROCARBANILIDE|3,4,4'-Trichlorodiphenylurea|4-12-00-01265|BRN 2814890|Carbanilide, 3,4,4'-trichloro-|Caswell No. 874|Cusiter|Cutisan|EINECS 202-924-1|EPA Pesticide Chemical Code 027901|Genoface|N-(3,4-Dichlorophenyl)-N'-(4-chlorophenyl)urea|N-(4-Chlorophenyl)-N'-(3,4-dichlorophenyl)urea|NSC 72005|NSC-72005|Preventol SB extra|Procutene|Solubacter|TCC|Trichlocarban|TRICHLOROCARBANILIDE|Triclocarbanum|Trilocarban|UNII-BGG1Y1ED0Y|UREA, N-(3,4-DICHLOROPHENYL)-N'-4-CHLOROPHENYL-|Urea, N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026214 https://doi.org/10.22427/NTP-DATA-DTXSID4026214
ERPathway2016 ERPathway2016_568 Triclocarban 101-20-2 DTXSID4026214 A17 ER Pathway Model, Agonist Model Score 0 Unitless ClC1=CC=C(NC(=O)NC2=CC=C(Cl)C(Cl)=C2)C=C1 Triclocarban 101-20-2|Triclocarban|1-(3',4'-Dichlorophenyl)-3-(4'-chlorophenyl)urea|1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl) urea|3-(4-Chlorophenyl)-1-(3,4-dichlorophenyl)urea|3,4,4'-TRICHLORCARBANILID|3,4,4'-trichloro carbanilide|3,4,4'-TRICHLOROCARBANILIDE|3,4,4'-Trichlorodiphenylurea|4-12-00-01265|BRN 2814890|Carbanilide, 3,4,4'-trichloro-|Caswell No. 874|Cusiter|Cutisan|EINECS 202-924-1|EPA Pesticide Chemical Code 027901|Genoface|N-(3,4-Dichlorophenyl)-N'-(4-chlorophenyl)urea|N-(4-Chlorophenyl)-N'-(3,4-dichlorophenyl)urea|NSC 72005|NSC-72005|Preventol SB extra|Procutene|Solubacter|TCC|Trichlocarban|TRICHLOROCARBANILIDE|Triclocarbanum|Trilocarban|UNII-BGG1Y1ED0Y|UREA, N-(3,4-DICHLOROPHENYL)-N'-4-CHLOROPHENYL-|Urea, N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026214 https://doi.org/10.22427/NTP-DATA-DTXSID4026214
ERPathway2016 ERPathway2016_568 Triclocarban 101-20-2 DTXSID4026214 A17 ER Pathway Model, Antagonist Model Score 0 Unitless ClC1=CC=C(NC(=O)NC2=CC=C(Cl)C(Cl)=C2)C=C1 Triclocarban 101-20-2|Triclocarban|1-(3',4'-Dichlorophenyl)-3-(4'-chlorophenyl)urea|1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl) urea|3-(4-Chlorophenyl)-1-(3,4-dichlorophenyl)urea|3,4,4'-TRICHLORCARBANILID|3,4,4'-trichloro carbanilide|3,4,4'-TRICHLOROCARBANILIDE|3,4,4'-Trichlorodiphenylurea|4-12-00-01265|BRN 2814890|Carbanilide, 3,4,4'-trichloro-|Caswell No. 874|Cusiter|Cutisan|EINECS 202-924-1|EPA Pesticide Chemical Code 027901|Genoface|N-(3,4-Dichlorophenyl)-N'-(4-chlorophenyl)urea|N-(4-Chlorophenyl)-N'-(3,4-dichlorophenyl)urea|NSC 72005|NSC-72005|Preventol SB extra|Procutene|Solubacter|TCC|Trichlocarban|TRICHLOROCARBANILIDE|Triclocarbanum|Trilocarban|UNII-BGG1Y1ED0Y|UREA, N-(3,4-DICHLOROPHENYL)-N'-4-CHLOROPHENYL-|Urea, N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026214 https://doi.org/10.22427/NTP-DATA-DTXSID4026214
ERPathway2016 ERPathway2016_568 Triclocarban 101-20-2 DTXSID4026214 A17 ER Pathway Model, Agonist Call Inactive Unitless ClC1=CC=C(NC(=O)NC2=CC=C(Cl)C(Cl)=C2)C=C1 Triclocarban 101-20-2|Triclocarban|1-(3',4'-Dichlorophenyl)-3-(4'-chlorophenyl)urea|1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl) urea|3-(4-Chlorophenyl)-1-(3,4-dichlorophenyl)urea|3,4,4'-TRICHLORCARBANILID|3,4,4'-trichloro carbanilide|3,4,4'-TRICHLOROCARBANILIDE|3,4,4'-Trichlorodiphenylurea|4-12-00-01265|BRN 2814890|Carbanilide, 3,4,4'-trichloro-|Caswell No. 874|Cusiter|Cutisan|EINECS 202-924-1|EPA Pesticide Chemical Code 027901|Genoface|N-(3,4-Dichlorophenyl)-N'-(4-chlorophenyl)urea|N-(4-Chlorophenyl)-N'-(3,4-dichlorophenyl)urea|NSC 72005|NSC-72005|Preventol SB extra|Procutene|Solubacter|TCC|Trichlocarban|TRICHLOROCARBANILIDE|Triclocarbanum|Trilocarban|UNII-BGG1Y1ED0Y|UREA, N-(3,4-DICHLOROPHENYL)-N'-4-CHLOROPHENYL-|Urea, N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026214 https://doi.org/10.22427/NTP-DATA-DTXSID4026214
ERPathway2016 ERPathway2016_568 Triclocarban 101-20-2 DTXSID4026214 A17 ER Pathway Model, Antagonist Call Inactive Unitless ClC1=CC=C(NC(=O)NC2=CC=C(Cl)C(Cl)=C2)C=C1 Triclocarban 101-20-2|Triclocarban|1-(3',4'-Dichlorophenyl)-3-(4'-chlorophenyl)urea|1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl) urea|3-(4-Chlorophenyl)-1-(3,4-dichlorophenyl)urea|3,4,4'-TRICHLORCARBANILID|3,4,4'-trichloro carbanilide|3,4,4'-TRICHLOROCARBANILIDE|3,4,4'-Trichlorodiphenylurea|4-12-00-01265|BRN 2814890|Carbanilide, 3,4,4'-trichloro-|Caswell No. 874|Cusiter|Cutisan|EINECS 202-924-1|EPA Pesticide Chemical Code 027901|Genoface|N-(3,4-Dichlorophenyl)-N'-(4-chlorophenyl)urea|N-(4-Chlorophenyl)-N'-(3,4-dichlorophenyl)urea|NSC 72005|NSC-72005|Preventol SB extra|Procutene|Solubacter|TCC|Trichlocarban|TRICHLOROCARBANILIDE|Triclocarbanum|Trilocarban|UNII-BGG1Y1ED0Y|UREA, N-(3,4-DICHLOROPHENYL)-N'-4-CHLOROPHENYL-|Urea, N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)- https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026214 https://doi.org/10.22427/NTP-DATA-DTXSID4026214
ARPathway2016 ARPathway2016_1319 Triclopyr 55335-06-3 DTXSID0032497 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1 Triclopyr 55335-06-3|Triclopyr|((3,5,6-Trichloro-2-pyridinyl)oxy)acetic acid|2-[(3,5,6-Trichloro-2-pyridinyl)oxy]acetic acid|2-[(3,5,6-Trichloropyridinyl)oxy]acetic acid|259-597-3|3,5,6-TPA|3,5,6-Trichloro-2-pyridinyloxyethanoic acid|3,5,6-Trichloro-2-pyridyloxyacetic acid|4-21-00-00362|Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-|Acetic acid, [(3,5,6-trichloro-2-pyridyl)oxy]-|Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-|BRN 0225301|Caswell No. 882I|Dowco 233|EC No.: 259-597-3|EINECS 259-597-3|Garlon|Garlon 2|Garlon 250|Grandstsnd|Maxim|Maxim (auxin)|NSC 190671|PC 116001|PC Code 116001|Redeem|Release|Remedy|trichlopyr|Triclopyr, acid|UNII-MV06PHJ6I0|69653-72-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032497
ARPathway2016 ARPathway2016_1319 Triclopyr 55335-06-3 DTXSID0032497 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1 Triclopyr 55335-06-3|Triclopyr|((3,5,6-Trichloro-2-pyridinyl)oxy)acetic acid|2-[(3,5,6-Trichloro-2-pyridinyl)oxy]acetic acid|2-[(3,5,6-Trichloropyridinyl)oxy]acetic acid|259-597-3|3,5,6-TPA|3,5,6-Trichloro-2-pyridinyloxyethanoic acid|3,5,6-Trichloro-2-pyridyloxyacetic acid|4-21-00-00362|Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-|Acetic acid, [(3,5,6-trichloro-2-pyridyl)oxy]-|Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-|BRN 0225301|Caswell No. 882I|Dowco 233|EC No.: 259-597-3|EINECS 259-597-3|Garlon|Garlon 2|Garlon 250|Grandstsnd|Maxim|Maxim (auxin)|NSC 190671|PC 116001|PC Code 116001|Redeem|Release|Remedy|trichlopyr|Triclopyr, acid|UNII-MV06PHJ6I0|69653-72-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032497
ARPathway2016 ARPathway2016_1319 Triclopyr 55335-06-3 DTXSID0032497 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1 Triclopyr 55335-06-3|Triclopyr|((3,5,6-Trichloro-2-pyridinyl)oxy)acetic acid|2-[(3,5,6-Trichloro-2-pyridinyl)oxy]acetic acid|2-[(3,5,6-Trichloropyridinyl)oxy]acetic acid|259-597-3|3,5,6-TPA|3,5,6-Trichloro-2-pyridinyloxyethanoic acid|3,5,6-Trichloro-2-pyridyloxyacetic acid|4-21-00-00362|Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-|Acetic acid, [(3,5,6-trichloro-2-pyridyl)oxy]-|Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-|BRN 0225301|Caswell No. 882I|Dowco 233|EC No.: 259-597-3|EINECS 259-597-3|Garlon|Garlon 2|Garlon 250|Grandstsnd|Maxim|Maxim (auxin)|NSC 190671|PC 116001|PC Code 116001|Redeem|Release|Remedy|trichlopyr|Triclopyr, acid|UNII-MV06PHJ6I0|69653-72-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032497
ARPathway2016 ARPathway2016_1319 Triclopyr 55335-06-3 DTXSID0032497 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1 Triclopyr 55335-06-3|Triclopyr|((3,5,6-Trichloro-2-pyridinyl)oxy)acetic acid|2-[(3,5,6-Trichloro-2-pyridinyl)oxy]acetic acid|2-[(3,5,6-Trichloropyridinyl)oxy]acetic acid|259-597-3|3,5,6-TPA|3,5,6-Trichloro-2-pyridinyloxyethanoic acid|3,5,6-Trichloro-2-pyridyloxyacetic acid|4-21-00-00362|Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-|Acetic acid, [(3,5,6-trichloro-2-pyridyl)oxy]-|Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-|BRN 0225301|Caswell No. 882I|Dowco 233|EC No.: 259-597-3|EINECS 259-597-3|Garlon|Garlon 2|Garlon 250|Grandstsnd|Maxim|Maxim (auxin)|NSC 190671|PC 116001|PC Code 116001|Redeem|Release|Remedy|trichlopyr|Triclopyr, acid|UNII-MV06PHJ6I0|69653-72-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032497
ERPathway2016 ERPathway2016_1533 Triclopyr 55335-06-3 DTXSID0032497 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1 Triclopyr 55335-06-3|Triclopyr|((3,5,6-Trichloro-2-pyridinyl)oxy)acetic acid|2-[(3,5,6-Trichloro-2-pyridinyl)oxy]acetic acid|2-[(3,5,6-Trichloropyridinyl)oxy]acetic acid|259-597-3|3,5,6-TPA|3,5,6-Trichloro-2-pyridinyloxyethanoic acid|3,5,6-Trichloro-2-pyridyloxyacetic acid|4-21-00-00362|Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-|Acetic acid, [(3,5,6-trichloro-2-pyridyl)oxy]-|Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-|BRN 0225301|Caswell No. 882I|Dowco 233|EC No.: 259-597-3|EINECS 259-597-3|Garlon|Garlon 2|Garlon 250|Grandstsnd|Maxim|Maxim (auxin)|NSC 190671|PC 116001|PC Code 116001|Redeem|Release|Remedy|trichlopyr|Triclopyr, acid|UNII-MV06PHJ6I0|69653-72-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032497
ERPathway2016 ERPathway2016_1533 Triclopyr 55335-06-3 DTXSID0032497 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1 Triclopyr 55335-06-3|Triclopyr|((3,5,6-Trichloro-2-pyridinyl)oxy)acetic acid|2-[(3,5,6-Trichloro-2-pyridinyl)oxy]acetic acid|2-[(3,5,6-Trichloropyridinyl)oxy]acetic acid|259-597-3|3,5,6-TPA|3,5,6-Trichloro-2-pyridinyloxyethanoic acid|3,5,6-Trichloro-2-pyridyloxyacetic acid|4-21-00-00362|Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-|Acetic acid, [(3,5,6-trichloro-2-pyridyl)oxy]-|Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-|BRN 0225301|Caswell No. 882I|Dowco 233|EC No.: 259-597-3|EINECS 259-597-3|Garlon|Garlon 2|Garlon 250|Grandstsnd|Maxim|Maxim (auxin)|NSC 190671|PC 116001|PC Code 116001|Redeem|Release|Remedy|trichlopyr|Triclopyr, acid|UNII-MV06PHJ6I0|69653-72-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032497
ERPathway2016 ERPathway2016_1533 Triclopyr 55335-06-3 DTXSID0032497 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1 Triclopyr 55335-06-3|Triclopyr|((3,5,6-Trichloro-2-pyridinyl)oxy)acetic acid|2-[(3,5,6-Trichloro-2-pyridinyl)oxy]acetic acid|2-[(3,5,6-Trichloropyridinyl)oxy]acetic acid|259-597-3|3,5,6-TPA|3,5,6-Trichloro-2-pyridinyloxyethanoic acid|3,5,6-Trichloro-2-pyridyloxyacetic acid|4-21-00-00362|Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-|Acetic acid, [(3,5,6-trichloro-2-pyridyl)oxy]-|Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-|BRN 0225301|Caswell No. 882I|Dowco 233|EC No.: 259-597-3|EINECS 259-597-3|Garlon|Garlon 2|Garlon 250|Grandstsnd|Maxim|Maxim (auxin)|NSC 190671|PC 116001|PC Code 116001|Redeem|Release|Remedy|trichlopyr|Triclopyr, acid|UNII-MV06PHJ6I0|69653-72-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032497
ERPathway2016 ERPathway2016_1533 Triclopyr 55335-06-3 DTXSID0032497 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1 Triclopyr 55335-06-3|Triclopyr|((3,5,6-Trichloro-2-pyridinyl)oxy)acetic acid|2-[(3,5,6-Trichloro-2-pyridinyl)oxy]acetic acid|2-[(3,5,6-Trichloropyridinyl)oxy]acetic acid|259-597-3|3,5,6-TPA|3,5,6-Trichloro-2-pyridinyloxyethanoic acid|3,5,6-Trichloro-2-pyridyloxyacetic acid|4-21-00-00362|Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-|Acetic acid, [(3,5,6-trichloro-2-pyridyl)oxy]-|Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-|BRN 0225301|Caswell No. 882I|Dowco 233|EC No.: 259-597-3|EINECS 259-597-3|Garlon|Garlon 2|Garlon 250|Grandstsnd|Maxim|Maxim (auxin)|NSC 190671|PC 116001|PC Code 116001|Redeem|Release|Remedy|trichlopyr|Triclopyr, acid|UNII-MV06PHJ6I0|69653-72-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032497
ARPathway2016 ARPathway2016_1443 Triclopyr 2-butoxyethyl ester 64700-56-7 DTXSID5032579 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1 Triclopyr 2-butoxyethyl ester 64700-56-7|Triclopyr 2-butoxyethyl ester|((3,5,6-Trichloro-2-pyridinyl)oxy)acetic acid 2-butoxyethyl ester|(3,5,6-Trichloro-2-pyridinyl)oxyacetic acid, butoxyethyl ester|[(3,5,6-trichloropyridine-2-yl)oxy]acetate de 2-butoxyethyle|[(3,5,6-tricloropiridin-2-il)oxi]acetato de 2-butoxietilo|2-Butoxyethyl [(3,5,6-trichloro-2-pyridyl)oxy]acetate|2-butoxyethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate|2-butoxyethyl 3,5,6-trichloro-2-pyridyloxyacetate|2-Butoxyethyl-[(3,5,6-trichlorpyridin-2-yl)oxy]acetat|265-024-8|Acetic acid, ((3,5,6-trichloro-2-pyridinyl)oxy)-, 2-butoxyethyl ester|Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-, 2-butoxyethyl ester|Acetic acid, [(3,5,6-trichloro-2-pyridyl)oxy]-, 2-butoxyethyl ester|Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, 2-butoxyethyl ester|Butoxyethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate|Caswell No. 882K|EC No.: 265-024-8|EINECS 265-024-8|EPA Pesticide Chemical Code 116004|Formulation 16 (Triclopyr ester)|Garlon 4|Garlon 480|Garlon 4E|Garlon 600|Grazon ET|PC 116004|PC Code 116004|Rely|Triclopyr BEE|Tri|64470-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032579
ARPathway2016 ARPathway2016_1443 Triclopyr 2-butoxyethyl ester 64700-56-7 DTXSID5032579 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1 Triclopyr 2-butoxyethyl ester 64700-56-7|Triclopyr 2-butoxyethyl ester|((3,5,6-Trichloro-2-pyridinyl)oxy)acetic acid 2-butoxyethyl ester|(3,5,6-Trichloro-2-pyridinyl)oxyacetic acid, butoxyethyl ester|[(3,5,6-trichloropyridine-2-yl)oxy]acetate de 2-butoxyethyle|[(3,5,6-tricloropiridin-2-il)oxi]acetato de 2-butoxietilo|2-Butoxyethyl [(3,5,6-trichloro-2-pyridyl)oxy]acetate|2-butoxyethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate|2-butoxyethyl 3,5,6-trichloro-2-pyridyloxyacetate|2-Butoxyethyl-[(3,5,6-trichlorpyridin-2-yl)oxy]acetat|265-024-8|Acetic acid, ((3,5,6-trichloro-2-pyridinyl)oxy)-, 2-butoxyethyl ester|Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-, 2-butoxyethyl ester|Acetic acid, [(3,5,6-trichloro-2-pyridyl)oxy]-, 2-butoxyethyl ester|Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, 2-butoxyethyl ester|Butoxyethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate|Caswell No. 882K|EC No.: 265-024-8|EINECS 265-024-8|EPA Pesticide Chemical Code 116004|Formulation 16 (Triclopyr ester)|Garlon 4|Garlon 480|Garlon 4E|Garlon 600|Grazon ET|PC 116004|PC Code 116004|Rely|Triclopyr BEE|Tri|64470-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032579
ARPathway2016 ARPathway2016_1443 Triclopyr 2-butoxyethyl ester 64700-56-7 DTXSID5032579 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1 Triclopyr 2-butoxyethyl ester 64700-56-7|Triclopyr 2-butoxyethyl ester|((3,5,6-Trichloro-2-pyridinyl)oxy)acetic acid 2-butoxyethyl ester|(3,5,6-Trichloro-2-pyridinyl)oxyacetic acid, butoxyethyl ester|[(3,5,6-trichloropyridine-2-yl)oxy]acetate de 2-butoxyethyle|[(3,5,6-tricloropiridin-2-il)oxi]acetato de 2-butoxietilo|2-Butoxyethyl [(3,5,6-trichloro-2-pyridyl)oxy]acetate|2-butoxyethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate|2-butoxyethyl 3,5,6-trichloro-2-pyridyloxyacetate|2-Butoxyethyl-[(3,5,6-trichlorpyridin-2-yl)oxy]acetat|265-024-8|Acetic acid, ((3,5,6-trichloro-2-pyridinyl)oxy)-, 2-butoxyethyl ester|Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-, 2-butoxyethyl ester|Acetic acid, [(3,5,6-trichloro-2-pyridyl)oxy]-, 2-butoxyethyl ester|Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, 2-butoxyethyl ester|Butoxyethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate|Caswell No. 882K|EC No.: 265-024-8|EINECS 265-024-8|EPA Pesticide Chemical Code 116004|Formulation 16 (Triclopyr ester)|Garlon 4|Garlon 480|Garlon 4E|Garlon 600|Grazon ET|PC 116004|PC Code 116004|Rely|Triclopyr BEE|Tri|64470-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032579
ARPathway2016 ARPathway2016_1443 Triclopyr 2-butoxyethyl ester 64700-56-7 DTXSID5032579 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1 Triclopyr 2-butoxyethyl ester 64700-56-7|Triclopyr 2-butoxyethyl ester|((3,5,6-Trichloro-2-pyridinyl)oxy)acetic acid 2-butoxyethyl ester|(3,5,6-Trichloro-2-pyridinyl)oxyacetic acid, butoxyethyl ester|[(3,5,6-trichloropyridine-2-yl)oxy]acetate de 2-butoxyethyle|[(3,5,6-tricloropiridin-2-il)oxi]acetato de 2-butoxietilo|2-Butoxyethyl [(3,5,6-trichloro-2-pyridyl)oxy]acetate|2-butoxyethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate|2-butoxyethyl 3,5,6-trichloro-2-pyridyloxyacetate|2-Butoxyethyl-[(3,5,6-trichlorpyridin-2-yl)oxy]acetat|265-024-8|Acetic acid, ((3,5,6-trichloro-2-pyridinyl)oxy)-, 2-butoxyethyl ester|Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-, 2-butoxyethyl ester|Acetic acid, [(3,5,6-trichloro-2-pyridyl)oxy]-, 2-butoxyethyl ester|Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, 2-butoxyethyl ester|Butoxyethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate|Caswell No. 882K|EC No.: 265-024-8|EINECS 265-024-8|EPA Pesticide Chemical Code 116004|Formulation 16 (Triclopyr ester)|Garlon 4|Garlon 480|Garlon 4E|Garlon 600|Grazon ET|PC 116004|PC Code 116004|Rely|Triclopyr BEE|Tri|64470-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032579
ERPathway2016 ERPathway2016_926 Triclopyr 2-butoxyethyl ester 64700-56-7 DTXSID5032579 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1 Triclopyr 2-butoxyethyl ester 64700-56-7|Triclopyr 2-butoxyethyl ester|((3,5,6-Trichloro-2-pyridinyl)oxy)acetic acid 2-butoxyethyl ester|(3,5,6-Trichloro-2-pyridinyl)oxyacetic acid, butoxyethyl ester|[(3,5,6-trichloropyridine-2-yl)oxy]acetate de 2-butoxyethyle|[(3,5,6-tricloropiridin-2-il)oxi]acetato de 2-butoxietilo|2-Butoxyethyl [(3,5,6-trichloro-2-pyridyl)oxy]acetate|2-butoxyethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate|2-butoxyethyl 3,5,6-trichloro-2-pyridyloxyacetate|2-Butoxyethyl-[(3,5,6-trichlorpyridin-2-yl)oxy]acetat|265-024-8|Acetic acid, ((3,5,6-trichloro-2-pyridinyl)oxy)-, 2-butoxyethyl ester|Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-, 2-butoxyethyl ester|Acetic acid, [(3,5,6-trichloro-2-pyridyl)oxy]-, 2-butoxyethyl ester|Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, 2-butoxyethyl ester|Butoxyethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate|Caswell No. 882K|EC No.: 265-024-8|EINECS 265-024-8|EPA Pesticide Chemical Code 116004|Formulation 16 (Triclopyr ester)|Garlon 4|Garlon 480|Garlon 4E|Garlon 600|Grazon ET|PC 116004|PC Code 116004|Rely|Triclopyr BEE|Tri|64470-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032579
ERPathway2016 ERPathway2016_926 Triclopyr 2-butoxyethyl ester 64700-56-7 DTXSID5032579 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1 Triclopyr 2-butoxyethyl ester 64700-56-7|Triclopyr 2-butoxyethyl ester|((3,5,6-Trichloro-2-pyridinyl)oxy)acetic acid 2-butoxyethyl ester|(3,5,6-Trichloro-2-pyridinyl)oxyacetic acid, butoxyethyl ester|[(3,5,6-trichloropyridine-2-yl)oxy]acetate de 2-butoxyethyle|[(3,5,6-tricloropiridin-2-il)oxi]acetato de 2-butoxietilo|2-Butoxyethyl [(3,5,6-trichloro-2-pyridyl)oxy]acetate|2-butoxyethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate|2-butoxyethyl 3,5,6-trichloro-2-pyridyloxyacetate|2-Butoxyethyl-[(3,5,6-trichlorpyridin-2-yl)oxy]acetat|265-024-8|Acetic acid, ((3,5,6-trichloro-2-pyridinyl)oxy)-, 2-butoxyethyl ester|Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-, 2-butoxyethyl ester|Acetic acid, [(3,5,6-trichloro-2-pyridyl)oxy]-, 2-butoxyethyl ester|Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, 2-butoxyethyl ester|Butoxyethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate|Caswell No. 882K|EC No.: 265-024-8|EINECS 265-024-8|EPA Pesticide Chemical Code 116004|Formulation 16 (Triclopyr ester)|Garlon 4|Garlon 480|Garlon 4E|Garlon 600|Grazon ET|PC 116004|PC Code 116004|Rely|Triclopyr BEE|Tri|64470-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032579
ERPathway2016 ERPathway2016_926 Triclopyr 2-butoxyethyl ester 64700-56-7 DTXSID5032579 ER Pathway Model, Agonist Call Inactive Unitless CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1 Triclopyr 2-butoxyethyl ester 64700-56-7|Triclopyr 2-butoxyethyl ester|((3,5,6-Trichloro-2-pyridinyl)oxy)acetic acid 2-butoxyethyl ester|(3,5,6-Trichloro-2-pyridinyl)oxyacetic acid, butoxyethyl ester|[(3,5,6-trichloropyridine-2-yl)oxy]acetate de 2-butoxyethyle|[(3,5,6-tricloropiridin-2-il)oxi]acetato de 2-butoxietilo|2-Butoxyethyl [(3,5,6-trichloro-2-pyridyl)oxy]acetate|2-butoxyethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate|2-butoxyethyl 3,5,6-trichloro-2-pyridyloxyacetate|2-Butoxyethyl-[(3,5,6-trichlorpyridin-2-yl)oxy]acetat|265-024-8|Acetic acid, ((3,5,6-trichloro-2-pyridinyl)oxy)-, 2-butoxyethyl ester|Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-, 2-butoxyethyl ester|Acetic acid, [(3,5,6-trichloro-2-pyridyl)oxy]-, 2-butoxyethyl ester|Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, 2-butoxyethyl ester|Butoxyethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate|Caswell No. 882K|EC No.: 265-024-8|EINECS 265-024-8|EPA Pesticide Chemical Code 116004|Formulation 16 (Triclopyr ester)|Garlon 4|Garlon 480|Garlon 4E|Garlon 600|Grazon ET|PC 116004|PC Code 116004|Rely|Triclopyr BEE|Tri|64470-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032579
ERPathway2016 ERPathway2016_926 Triclopyr 2-butoxyethyl ester 64700-56-7 DTXSID5032579 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1 Triclopyr 2-butoxyethyl ester 64700-56-7|Triclopyr 2-butoxyethyl ester|((3,5,6-Trichloro-2-pyridinyl)oxy)acetic acid 2-butoxyethyl ester|(3,5,6-Trichloro-2-pyridinyl)oxyacetic acid, butoxyethyl ester|[(3,5,6-trichloropyridine-2-yl)oxy]acetate de 2-butoxyethyle|[(3,5,6-tricloropiridin-2-il)oxi]acetato de 2-butoxietilo|2-Butoxyethyl [(3,5,6-trichloro-2-pyridyl)oxy]acetate|2-butoxyethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate|2-butoxyethyl 3,5,6-trichloro-2-pyridyloxyacetate|2-Butoxyethyl-[(3,5,6-trichlorpyridin-2-yl)oxy]acetat|265-024-8|Acetic acid, ((3,5,6-trichloro-2-pyridinyl)oxy)-, 2-butoxyethyl ester|Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]-, 2-butoxyethyl ester|Acetic acid, [(3,5,6-trichloro-2-pyridyl)oxy]-, 2-butoxyethyl ester|Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]-, 2-butoxyethyl ester|Butoxyethyl [(3,5,6-trichloropyridin-2-yl)oxy]acetate|Caswell No. 882K|EC No.: 265-024-8|EINECS 265-024-8|EPA Pesticide Chemical Code 116004|Formulation 16 (Triclopyr ester)|Garlon 4|Garlon 480|Garlon 4E|Garlon 600|Grazon ET|PC 116004|PC Code 116004|Rely|Triclopyr BEE|Tri|64470-88-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032579
ARPathway2016 ARPathway2016_156 Triclosan 3380-34-5 DTXSID5032498 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 14.101785855879 uM OC1=C(OC2=CC=C(Cl)C=C2Cl)C=CC(Cl)=C1 Triclosan 3380-34-5|Triclosan|2-hydroxy-2,4,4-trichlorodiphenylether|2-Hydroxy-2',4,4'-trichlorodiphenyl ether|2, 4, 4'-Trichloro-2'-hydroxydiphenylether|2,2'-Oxybis(1',5'-dichlorophenyl-5-chlorophenol)|2,4,4'-TRICHLORO-2'-HYDROXY DIPHENYLETHER|2,4,4'-Trichloro-2'-hydroxydiphenyl ether|2'-Hydroxy-2,4,4'-trichlorodiphenyl ether|2'-hydroxy-2,4,4'-trichlorodiphenylether|2'-OH-PCDE-28|2',4,4'-Trichloro-2-hydroxydiphenyl ether|2',4',4-Trichloro-2-hydroxydiphenyl ether|222-182-2|3-Chloro-6-(2,4-dichlorophenoxy)phenol|4-Chloro-2-hydroxyphenyl 2,4-dichlorophenyl ether|5-Chloro-2-(2,4-dichloro-phenoxy)-phenol|5-Chloro-2-(2,4-dichlorophenoxy)phenol|5-Chloro-2-(2', 4'-dichlorophenoxy) phenol|Aquasept|Bacti-Stat soap|BRN 2057142|Cansan TCH|Caswell No. 186A|Cloxifenolum|DIPHENYL ETHER, 2,4,4'-TRICHLORO-2'-HYDROXY-|EC No.: 222-182-2|EINECS 222-182-2|EPA Pesticide Chemical Code 054901|Germicide CA|Irgacare MP|Irgacide LP 10|Irgaguard B 1000|Irgaguard B 1325|Irgasan|Irgasan CH 3565|Irgasan DP 30|Irgasan DP 300|Irgasan DP 3000|Irgasan DP 400|Irgasan DP300|112099-35-1|1155174-27-8|164325-69-3|261921-78-2|88032-08-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032498
ARPathway2016 ARPathway2016_156 Triclosan 3380-34-5 DTXSID5032498 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 11.2660068327607 uM OC1=C(OC2=CC=C(Cl)C=C2Cl)C=CC(Cl)=C1 Triclosan 3380-34-5|Triclosan|2-hydroxy-2,4,4-trichlorodiphenylether|2-Hydroxy-2',4,4'-trichlorodiphenyl ether|2, 4, 4'-Trichloro-2'-hydroxydiphenylether|2,2'-Oxybis(1',5'-dichlorophenyl-5-chlorophenol)|2,4,4'-TRICHLORO-2'-HYDROXY DIPHENYLETHER|2,4,4'-Trichloro-2'-hydroxydiphenyl ether|2'-Hydroxy-2,4,4'-trichlorodiphenyl ether|2'-hydroxy-2,4,4'-trichlorodiphenylether|2'-OH-PCDE-28|2',4,4'-Trichloro-2-hydroxydiphenyl ether|2',4',4-Trichloro-2-hydroxydiphenyl ether|222-182-2|3-Chloro-6-(2,4-dichlorophenoxy)phenol|4-Chloro-2-hydroxyphenyl 2,4-dichlorophenyl ether|5-Chloro-2-(2,4-dichloro-phenoxy)-phenol|5-Chloro-2-(2,4-dichlorophenoxy)phenol|5-Chloro-2-(2', 4'-dichlorophenoxy) phenol|Aquasept|Bacti-Stat soap|BRN 2057142|Cansan TCH|Caswell No. 186A|Cloxifenolum|DIPHENYL ETHER, 2,4,4'-TRICHLORO-2'-HYDROXY-|EC No.: 222-182-2|EINECS 222-182-2|EPA Pesticide Chemical Code 054901|Germicide CA|Irgacare MP|Irgacide LP 10|Irgaguard B 1000|Irgaguard B 1325|Irgasan|Irgasan CH 3565|Irgasan DP 30|Irgasan DP 300|Irgasan DP 3000|Irgasan DP 400|Irgasan DP300|112099-35-1|1155174-27-8|164325-69-3|261921-78-2|88032-08-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032498
ARPathway2016 ARPathway2016_156 Triclosan 3380-34-5 DTXSID5032498 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.273 Unitless OC1=C(OC2=CC=C(Cl)C=C2Cl)C=CC(Cl)=C1 Triclosan 3380-34-5|Triclosan|2-hydroxy-2,4,4-trichlorodiphenylether|2-Hydroxy-2',4,4'-trichlorodiphenyl ether|2, 4, 4'-Trichloro-2'-hydroxydiphenylether|2,2'-Oxybis(1',5'-dichlorophenyl-5-chlorophenol)|2,4,4'-TRICHLORO-2'-HYDROXY DIPHENYLETHER|2,4,4'-Trichloro-2'-hydroxydiphenyl ether|2'-Hydroxy-2,4,4'-trichlorodiphenyl ether|2'-hydroxy-2,4,4'-trichlorodiphenylether|2'-OH-PCDE-28|2',4,4'-Trichloro-2-hydroxydiphenyl ether|2',4',4-Trichloro-2-hydroxydiphenyl ether|222-182-2|3-Chloro-6-(2,4-dichlorophenoxy)phenol|4-Chloro-2-hydroxyphenyl 2,4-dichlorophenyl ether|5-Chloro-2-(2,4-dichloro-phenoxy)-phenol|5-Chloro-2-(2,4-dichlorophenoxy)phenol|5-Chloro-2-(2', 4'-dichlorophenoxy) phenol|Aquasept|Bacti-Stat soap|BRN 2057142|Cansan TCH|Caswell No. 186A|Cloxifenolum|DIPHENYL ETHER, 2,4,4'-TRICHLORO-2'-HYDROXY-|EC No.: 222-182-2|EINECS 222-182-2|EPA Pesticide Chemical Code 054901|Germicide CA|Irgacare MP|Irgacide LP 10|Irgaguard B 1000|Irgaguard B 1325|Irgasan|Irgasan CH 3565|Irgasan DP 30|Irgasan DP 300|Irgasan DP 3000|Irgasan DP 400|Irgasan DP300|112099-35-1|1155174-27-8|164325-69-3|261921-78-2|88032-08-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032498
ARPathway2016 ARPathway2016_156 Triclosan 3380-34-5 DTXSID5032498 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0.0389 Unitless OC1=C(OC2=CC=C(Cl)C=C2Cl)C=CC(Cl)=C1 Triclosan 3380-34-5|Triclosan|2-hydroxy-2,4,4-trichlorodiphenylether|2-Hydroxy-2',4,4'-trichlorodiphenyl ether|2, 4, 4'-Trichloro-2'-hydroxydiphenylether|2,2'-Oxybis(1',5'-dichlorophenyl-5-chlorophenol)|2,4,4'-TRICHLORO-2'-HYDROXY DIPHENYLETHER|2,4,4'-Trichloro-2'-hydroxydiphenyl ether|2'-Hydroxy-2,4,4'-trichlorodiphenyl ether|2'-hydroxy-2,4,4'-trichlorodiphenylether|2'-OH-PCDE-28|2',4,4'-Trichloro-2-hydroxydiphenyl ether|2',4',4-Trichloro-2-hydroxydiphenyl ether|222-182-2|3-Chloro-6-(2,4-dichlorophenoxy)phenol|4-Chloro-2-hydroxyphenyl 2,4-dichlorophenyl ether|5-Chloro-2-(2,4-dichloro-phenoxy)-phenol|5-Chloro-2-(2,4-dichlorophenoxy)phenol|5-Chloro-2-(2', 4'-dichlorophenoxy) phenol|Aquasept|Bacti-Stat soap|BRN 2057142|Cansan TCH|Caswell No. 186A|Cloxifenolum|DIPHENYL ETHER, 2,4,4'-TRICHLORO-2'-HYDROXY-|EC No.: 222-182-2|EINECS 222-182-2|EPA Pesticide Chemical Code 054901|Germicide CA|Irgacare MP|Irgacide LP 10|Irgaguard B 1000|Irgaguard B 1325|Irgasan|Irgasan CH 3565|Irgasan DP 30|Irgasan DP 300|Irgasan DP 3000|Irgasan DP 400|Irgasan DP300|112099-35-1|1155174-27-8|164325-69-3|261921-78-2|88032-08-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032498
ARPathway2016 ARPathway2016_156 Triclosan 3380-34-5 DTXSID5032498 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless OC1=C(OC2=CC=C(Cl)C=C2Cl)C=CC(Cl)=C1 Triclosan 3380-34-5|Triclosan|2-hydroxy-2,4,4-trichlorodiphenylether|2-Hydroxy-2',4,4'-trichlorodiphenyl ether|2, 4, 4'-Trichloro-2'-hydroxydiphenylether|2,2'-Oxybis(1',5'-dichlorophenyl-5-chlorophenol)|2,4,4'-TRICHLORO-2'-HYDROXY DIPHENYLETHER|2,4,4'-Trichloro-2'-hydroxydiphenyl ether|2'-Hydroxy-2,4,4'-trichlorodiphenyl ether|2'-hydroxy-2,4,4'-trichlorodiphenylether|2'-OH-PCDE-28|2',4,4'-Trichloro-2-hydroxydiphenyl ether|2',4',4-Trichloro-2-hydroxydiphenyl ether|222-182-2|3-Chloro-6-(2,4-dichlorophenoxy)phenol|4-Chloro-2-hydroxyphenyl 2,4-dichlorophenyl ether|5-Chloro-2-(2,4-dichloro-phenoxy)-phenol|5-Chloro-2-(2,4-dichlorophenoxy)phenol|5-Chloro-2-(2', 4'-dichlorophenoxy) phenol|Aquasept|Bacti-Stat soap|BRN 2057142|Cansan TCH|Caswell No. 186A|Cloxifenolum|DIPHENYL ETHER, 2,4,4'-TRICHLORO-2'-HYDROXY-|EC No.: 222-182-2|EINECS 222-182-2|EPA Pesticide Chemical Code 054901|Germicide CA|Irgacare MP|Irgacide LP 10|Irgaguard B 1000|Irgaguard B 1325|Irgasan|Irgasan CH 3565|Irgasan DP 30|Irgasan DP 300|Irgasan DP 3000|Irgasan DP 400|Irgasan DP300|112099-35-1|1155174-27-8|164325-69-3|261921-78-2|88032-08-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032498
ARPathway2016 ARPathway2016_156 Triclosan 3380-34-5 DTXSID5032498 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless OC1=C(OC2=CC=C(Cl)C=C2Cl)C=CC(Cl)=C1 Triclosan 3380-34-5|Triclosan|2-hydroxy-2,4,4-trichlorodiphenylether|2-Hydroxy-2',4,4'-trichlorodiphenyl ether|2, 4, 4'-Trichloro-2'-hydroxydiphenylether|2,2'-Oxybis(1',5'-dichlorophenyl-5-chlorophenol)|2,4,4'-TRICHLORO-2'-HYDROXY DIPHENYLETHER|2,4,4'-Trichloro-2'-hydroxydiphenyl ether|2'-Hydroxy-2,4,4'-trichlorodiphenyl ether|2'-hydroxy-2,4,4'-trichlorodiphenylether|2'-OH-PCDE-28|2',4,4'-Trichloro-2-hydroxydiphenyl ether|2',4',4-Trichloro-2-hydroxydiphenyl ether|222-182-2|3-Chloro-6-(2,4-dichlorophenoxy)phenol|4-Chloro-2-hydroxyphenyl 2,4-dichlorophenyl ether|5-Chloro-2-(2,4-dichloro-phenoxy)-phenol|5-Chloro-2-(2,4-dichlorophenoxy)phenol|5-Chloro-2-(2', 4'-dichlorophenoxy) phenol|Aquasept|Bacti-Stat soap|BRN 2057142|Cansan TCH|Caswell No. 186A|Cloxifenolum|DIPHENYL ETHER, 2,4,4'-TRICHLORO-2'-HYDROXY-|EC No.: 222-182-2|EINECS 222-182-2|EPA Pesticide Chemical Code 054901|Germicide CA|Irgacare MP|Irgacide LP 10|Irgaguard B 1000|Irgaguard B 1325|Irgasan|Irgasan CH 3565|Irgasan DP 30|Irgasan DP 300|Irgasan DP 3000|Irgasan DP 400|Irgasan DP300|112099-35-1|1155174-27-8|164325-69-3|261921-78-2|88032-08-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032498
ERPathway2016 ERPathway2016_592 Triclosan 3380-34-5 DTXSID5032498 ER Pathway Model, Agonist Model Score 0 Unitless OC1=C(OC2=CC=C(Cl)C=C2Cl)C=CC(Cl)=C1 Triclosan 3380-34-5|Triclosan|2-hydroxy-2,4,4-trichlorodiphenylether|2-Hydroxy-2',4,4'-trichlorodiphenyl ether|2, 4, 4'-Trichloro-2'-hydroxydiphenylether|2,2'-Oxybis(1',5'-dichlorophenyl-5-chlorophenol)|2,4,4'-TRICHLORO-2'-HYDROXY DIPHENYLETHER|2,4,4'-Trichloro-2'-hydroxydiphenyl ether|2'-Hydroxy-2,4,4'-trichlorodiphenyl ether|2'-hydroxy-2,4,4'-trichlorodiphenylether|2'-OH-PCDE-28|2',4,4'-Trichloro-2-hydroxydiphenyl ether|2',4',4-Trichloro-2-hydroxydiphenyl ether|222-182-2|3-Chloro-6-(2,4-dichlorophenoxy)phenol|4-Chloro-2-hydroxyphenyl 2,4-dichlorophenyl ether|5-Chloro-2-(2,4-dichloro-phenoxy)-phenol|5-Chloro-2-(2,4-dichlorophenoxy)phenol|5-Chloro-2-(2', 4'-dichlorophenoxy) phenol|Aquasept|Bacti-Stat soap|BRN 2057142|Cansan TCH|Caswell No. 186A|Cloxifenolum|DIPHENYL ETHER, 2,4,4'-TRICHLORO-2'-HYDROXY-|EC No.: 222-182-2|EINECS 222-182-2|EPA Pesticide Chemical Code 054901|Germicide CA|Irgacare MP|Irgacide LP 10|Irgaguard B 1000|Irgaguard B 1325|Irgasan|Irgasan CH 3565|Irgasan DP 30|Irgasan DP 300|Irgasan DP 3000|Irgasan DP 400|Irgasan DP300|112099-35-1|1155174-27-8|164325-69-3|261921-78-2|88032-08-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032498
ERPathway2016 ERPathway2016_592 Triclosan 3380-34-5 DTXSID5032498 ER Pathway Model, Antagonist Model Score 0 Unitless OC1=C(OC2=CC=C(Cl)C=C2Cl)C=CC(Cl)=C1 Triclosan 3380-34-5|Triclosan|2-hydroxy-2,4,4-trichlorodiphenylether|2-Hydroxy-2',4,4'-trichlorodiphenyl ether|2, 4, 4'-Trichloro-2'-hydroxydiphenylether|2,2'-Oxybis(1',5'-dichlorophenyl-5-chlorophenol)|2,4,4'-TRICHLORO-2'-HYDROXY DIPHENYLETHER|2,4,4'-Trichloro-2'-hydroxydiphenyl ether|2'-Hydroxy-2,4,4'-trichlorodiphenyl ether|2'-hydroxy-2,4,4'-trichlorodiphenylether|2'-OH-PCDE-28|2',4,4'-Trichloro-2-hydroxydiphenyl ether|2',4',4-Trichloro-2-hydroxydiphenyl ether|222-182-2|3-Chloro-6-(2,4-dichlorophenoxy)phenol|4-Chloro-2-hydroxyphenyl 2,4-dichlorophenyl ether|5-Chloro-2-(2,4-dichloro-phenoxy)-phenol|5-Chloro-2-(2,4-dichlorophenoxy)phenol|5-Chloro-2-(2', 4'-dichlorophenoxy) phenol|Aquasept|Bacti-Stat soap|BRN 2057142|Cansan TCH|Caswell No. 186A|Cloxifenolum|DIPHENYL ETHER, 2,4,4'-TRICHLORO-2'-HYDROXY-|EC No.: 222-182-2|EINECS 222-182-2|EPA Pesticide Chemical Code 054901|Germicide CA|Irgacare MP|Irgacide LP 10|Irgaguard B 1000|Irgaguard B 1325|Irgasan|Irgasan CH 3565|Irgasan DP 30|Irgasan DP 300|Irgasan DP 3000|Irgasan DP 400|Irgasan DP300|112099-35-1|1155174-27-8|164325-69-3|261921-78-2|88032-08-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032498
ERPathway2016 ERPathway2016_592 Triclosan 3380-34-5 DTXSID5032498 ER Pathway Model, Agonist Call Inactive Unitless OC1=C(OC2=CC=C(Cl)C=C2Cl)C=CC(Cl)=C1 Triclosan 3380-34-5|Triclosan|2-hydroxy-2,4,4-trichlorodiphenylether|2-Hydroxy-2',4,4'-trichlorodiphenyl ether|2, 4, 4'-Trichloro-2'-hydroxydiphenylether|2,2'-Oxybis(1',5'-dichlorophenyl-5-chlorophenol)|2,4,4'-TRICHLORO-2'-HYDROXY DIPHENYLETHER|2,4,4'-Trichloro-2'-hydroxydiphenyl ether|2'-Hydroxy-2,4,4'-trichlorodiphenyl ether|2'-hydroxy-2,4,4'-trichlorodiphenylether|2'-OH-PCDE-28|2',4,4'-Trichloro-2-hydroxydiphenyl ether|2',4',4-Trichloro-2-hydroxydiphenyl ether|222-182-2|3-Chloro-6-(2,4-dichlorophenoxy)phenol|4-Chloro-2-hydroxyphenyl 2,4-dichlorophenyl ether|5-Chloro-2-(2,4-dichloro-phenoxy)-phenol|5-Chloro-2-(2,4-dichlorophenoxy)phenol|5-Chloro-2-(2', 4'-dichlorophenoxy) phenol|Aquasept|Bacti-Stat soap|BRN 2057142|Cansan TCH|Caswell No. 186A|Cloxifenolum|DIPHENYL ETHER, 2,4,4'-TRICHLORO-2'-HYDROXY-|EC No.: 222-182-2|EINECS 222-182-2|EPA Pesticide Chemical Code 054901|Germicide CA|Irgacare MP|Irgacide LP 10|Irgaguard B 1000|Irgaguard B 1325|Irgasan|Irgasan CH 3565|Irgasan DP 30|Irgasan DP 300|Irgasan DP 3000|Irgasan DP 400|Irgasan DP300|112099-35-1|1155174-27-8|164325-69-3|261921-78-2|88032-08-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032498
ERPathway2016 ERPathway2016_592 Triclosan 3380-34-5 DTXSID5032498 ER Pathway Model, Antagonist Call Inactive Unitless OC1=C(OC2=CC=C(Cl)C=C2Cl)C=CC(Cl)=C1 Triclosan 3380-34-5|Triclosan|2-hydroxy-2,4,4-trichlorodiphenylether|2-Hydroxy-2',4,4'-trichlorodiphenyl ether|2, 4, 4'-Trichloro-2'-hydroxydiphenylether|2,2'-Oxybis(1',5'-dichlorophenyl-5-chlorophenol)|2,4,4'-TRICHLORO-2'-HYDROXY DIPHENYLETHER|2,4,4'-Trichloro-2'-hydroxydiphenyl ether|2'-Hydroxy-2,4,4'-trichlorodiphenyl ether|2'-hydroxy-2,4,4'-trichlorodiphenylether|2'-OH-PCDE-28|2',4,4'-Trichloro-2-hydroxydiphenyl ether|2',4',4-Trichloro-2-hydroxydiphenyl ether|222-182-2|3-Chloro-6-(2,4-dichlorophenoxy)phenol|4-Chloro-2-hydroxyphenyl 2,4-dichlorophenyl ether|5-Chloro-2-(2,4-dichloro-phenoxy)-phenol|5-Chloro-2-(2,4-dichlorophenoxy)phenol|5-Chloro-2-(2', 4'-dichlorophenoxy) phenol|Aquasept|Bacti-Stat soap|BRN 2057142|Cansan TCH|Caswell No. 186A|Cloxifenolum|DIPHENYL ETHER, 2,4,4'-TRICHLORO-2'-HYDROXY-|EC No.: 222-182-2|EINECS 222-182-2|EPA Pesticide Chemical Code 054901|Germicide CA|Irgacare MP|Irgacide LP 10|Irgaguard B 1000|Irgaguard B 1325|Irgasan|Irgasan CH 3565|Irgasan DP 30|Irgasan DP 300|Irgasan DP 3000|Irgasan DP 400|Irgasan DP300|112099-35-1|1155174-27-8|164325-69-3|261921-78-2|88032-08-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5032498
ARPathway2016 ARPathway2016_427 Triethanolamine 102-71-6 DTXSID9021392 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless OCCN(CCO)CCO Triethanolamine 102-71-6|Triethanolamine|2-(bis(2-hydroxyethyl)amino)ethanol|2-[Bis(2-hydroxyethyl)amino]ethanol|2,2',2''-Nitrilotriethanol|2,2',2''-nitrilotris(ethanol)|2,2',2''-Nitrilotris[ethanol]|2,2',2''-Nitrilotrisethanol|2,2',2"-NITRILOTRETHANOL|2,2',2"-Nitrilotriethanol|2,2',2"-NITRILOTRIS(ETHANOL)|Alkanolamine 244|Biafine|Caswell No. 886|Daltogen|EINECS 203-049-8|EPA Pesticide Chemical Code 004208|Ethanol, 2,2',2''-nitrilotri-|Ethanol, 2,2',2''-nitrilotris-|Ethanol, 2,2'2''-nitrilotris-|H3tea|N(CH2CH2OH)3|nitrilo-2,2',2''-triethanol|Nitrilotriethanol|NSC 36718|Sterolamide|Sting-Kill|TEA|Thiofaco T-35|TRI(2-HYDROETHYL)AMINE|Tri(hydroxyethyl)amine|TRIAETHANOLAMIN|Triethanolamin|Triethylamine, 2,2',2''-trihydroxy-|Triethylolamine|Trihydroxytriethylamine|tris-(2-Hydroxyethyl)amine|Tris(2-hydroxyethyl)amine|Tris(beta-hydroxyethyl)amine|Tris(b-hydroxyethyl)amine|Trolamine|UNII-9O3K93S3TK|105655-27-4|126068-67-5|1429745-86-7|36549-53-8|36549-54-9|36549-55-0|36659-79-7|464917-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021392 https://doi.org/10.22427/NTP-DATA-DTXSID9021392
ARPathway2016 ARPathway2016_427 Triethanolamine 102-71-6 DTXSID9021392 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless OCCN(CCO)CCO Triethanolamine 102-71-6|Triethanolamine|2-(bis(2-hydroxyethyl)amino)ethanol|2-[Bis(2-hydroxyethyl)amino]ethanol|2,2',2''-Nitrilotriethanol|2,2',2''-nitrilotris(ethanol)|2,2',2''-Nitrilotris[ethanol]|2,2',2''-Nitrilotrisethanol|2,2',2"-NITRILOTRETHANOL|2,2',2"-Nitrilotriethanol|2,2',2"-NITRILOTRIS(ETHANOL)|Alkanolamine 244|Biafine|Caswell No. 886|Daltogen|EINECS 203-049-8|EPA Pesticide Chemical Code 004208|Ethanol, 2,2',2''-nitrilotri-|Ethanol, 2,2',2''-nitrilotris-|Ethanol, 2,2'2''-nitrilotris-|H3tea|N(CH2CH2OH)3|nitrilo-2,2',2''-triethanol|Nitrilotriethanol|NSC 36718|Sterolamide|Sting-Kill|TEA|Thiofaco T-35|TRI(2-HYDROETHYL)AMINE|Tri(hydroxyethyl)amine|TRIAETHANOLAMIN|Triethanolamin|Triethylamine, 2,2',2''-trihydroxy-|Triethylolamine|Trihydroxytriethylamine|tris-(2-Hydroxyethyl)amine|Tris(2-hydroxyethyl)amine|Tris(beta-hydroxyethyl)amine|Tris(b-hydroxyethyl)amine|Trolamine|UNII-9O3K93S3TK|105655-27-4|126068-67-5|1429745-86-7|36549-53-8|36549-54-9|36549-55-0|36659-79-7|464917-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021392 https://doi.org/10.22427/NTP-DATA-DTXSID9021392
ARPathway2016 ARPathway2016_427 Triethanolamine 102-71-6 DTXSID9021392 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless OCCN(CCO)CCO Triethanolamine 102-71-6|Triethanolamine|2-(bis(2-hydroxyethyl)amino)ethanol|2-[Bis(2-hydroxyethyl)amino]ethanol|2,2',2''-Nitrilotriethanol|2,2',2''-nitrilotris(ethanol)|2,2',2''-Nitrilotris[ethanol]|2,2',2''-Nitrilotrisethanol|2,2',2"-NITRILOTRETHANOL|2,2',2"-Nitrilotriethanol|2,2',2"-NITRILOTRIS(ETHANOL)|Alkanolamine 244|Biafine|Caswell No. 886|Daltogen|EINECS 203-049-8|EPA Pesticide Chemical Code 004208|Ethanol, 2,2',2''-nitrilotri-|Ethanol, 2,2',2''-nitrilotris-|Ethanol, 2,2'2''-nitrilotris-|H3tea|N(CH2CH2OH)3|nitrilo-2,2',2''-triethanol|Nitrilotriethanol|NSC 36718|Sterolamide|Sting-Kill|TEA|Thiofaco T-35|TRI(2-HYDROETHYL)AMINE|Tri(hydroxyethyl)amine|TRIAETHANOLAMIN|Triethanolamin|Triethylamine, 2,2',2''-trihydroxy-|Triethylolamine|Trihydroxytriethylamine|tris-(2-Hydroxyethyl)amine|Tris(2-hydroxyethyl)amine|Tris(beta-hydroxyethyl)amine|Tris(b-hydroxyethyl)amine|Trolamine|UNII-9O3K93S3TK|105655-27-4|126068-67-5|1429745-86-7|36549-53-8|36549-54-9|36549-55-0|36659-79-7|464917-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021392 https://doi.org/10.22427/NTP-DATA-DTXSID9021392
ARPathway2016 ARPathway2016_427 Triethanolamine 102-71-6 DTXSID9021392 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless OCCN(CCO)CCO Triethanolamine 102-71-6|Triethanolamine|2-(bis(2-hydroxyethyl)amino)ethanol|2-[Bis(2-hydroxyethyl)amino]ethanol|2,2',2''-Nitrilotriethanol|2,2',2''-nitrilotris(ethanol)|2,2',2''-Nitrilotris[ethanol]|2,2',2''-Nitrilotrisethanol|2,2',2"-NITRILOTRETHANOL|2,2',2"-Nitrilotriethanol|2,2',2"-NITRILOTRIS(ETHANOL)|Alkanolamine 244|Biafine|Caswell No. 886|Daltogen|EINECS 203-049-8|EPA Pesticide Chemical Code 004208|Ethanol, 2,2',2''-nitrilotri-|Ethanol, 2,2',2''-nitrilotris-|Ethanol, 2,2'2''-nitrilotris-|H3tea|N(CH2CH2OH)3|nitrilo-2,2',2''-triethanol|Nitrilotriethanol|NSC 36718|Sterolamide|Sting-Kill|TEA|Thiofaco T-35|TRI(2-HYDROETHYL)AMINE|Tri(hydroxyethyl)amine|TRIAETHANOLAMIN|Triethanolamin|Triethylamine, 2,2',2''-trihydroxy-|Triethylolamine|Trihydroxytriethylamine|tris-(2-Hydroxyethyl)amine|Tris(2-hydroxyethyl)amine|Tris(beta-hydroxyethyl)amine|Tris(b-hydroxyethyl)amine|Trolamine|UNII-9O3K93S3TK|105655-27-4|126068-67-5|1429745-86-7|36549-53-8|36549-54-9|36549-55-0|36659-79-7|464917-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021392 https://doi.org/10.22427/NTP-DATA-DTXSID9021392
ERPathway2016 ERPathway2016_733 Triethanolamine 102-71-6 DTXSID9021392 A13 ER Pathway Model, Agonist Model Score 0 Unitless OCCN(CCO)CCO Triethanolamine 102-71-6|Triethanolamine|2-(bis(2-hydroxyethyl)amino)ethanol|2-[Bis(2-hydroxyethyl)amino]ethanol|2,2',2''-Nitrilotriethanol|2,2',2''-nitrilotris(ethanol)|2,2',2''-Nitrilotris[ethanol]|2,2',2''-Nitrilotrisethanol|2,2',2"-NITRILOTRETHANOL|2,2',2"-Nitrilotriethanol|2,2',2"-NITRILOTRIS(ETHANOL)|Alkanolamine 244|Biafine|Caswell No. 886|Daltogen|EINECS 203-049-8|EPA Pesticide Chemical Code 004208|Ethanol, 2,2',2''-nitrilotri-|Ethanol, 2,2',2''-nitrilotris-|Ethanol, 2,2'2''-nitrilotris-|H3tea|N(CH2CH2OH)3|nitrilo-2,2',2''-triethanol|Nitrilotriethanol|NSC 36718|Sterolamide|Sting-Kill|TEA|Thiofaco T-35|TRI(2-HYDROETHYL)AMINE|Tri(hydroxyethyl)amine|TRIAETHANOLAMIN|Triethanolamin|Triethylamine, 2,2',2''-trihydroxy-|Triethylolamine|Trihydroxytriethylamine|tris-(2-Hydroxyethyl)amine|Tris(2-hydroxyethyl)amine|Tris(beta-hydroxyethyl)amine|Tris(b-hydroxyethyl)amine|Trolamine|UNII-9O3K93S3TK|105655-27-4|126068-67-5|1429745-86-7|36549-53-8|36549-54-9|36549-55-0|36659-79-7|464917-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021392 https://doi.org/10.22427/NTP-DATA-DTXSID9021392
ERPathway2016 ERPathway2016_733 Triethanolamine 102-71-6 DTXSID9021392 A13 ER Pathway Model, Antagonist Model Score 0 Unitless OCCN(CCO)CCO Triethanolamine 102-71-6|Triethanolamine|2-(bis(2-hydroxyethyl)amino)ethanol|2-[Bis(2-hydroxyethyl)amino]ethanol|2,2',2''-Nitrilotriethanol|2,2',2''-nitrilotris(ethanol)|2,2',2''-Nitrilotris[ethanol]|2,2',2''-Nitrilotrisethanol|2,2',2"-NITRILOTRETHANOL|2,2',2"-Nitrilotriethanol|2,2',2"-NITRILOTRIS(ETHANOL)|Alkanolamine 244|Biafine|Caswell No. 886|Daltogen|EINECS 203-049-8|EPA Pesticide Chemical Code 004208|Ethanol, 2,2',2''-nitrilotri-|Ethanol, 2,2',2''-nitrilotris-|Ethanol, 2,2'2''-nitrilotris-|H3tea|N(CH2CH2OH)3|nitrilo-2,2',2''-triethanol|Nitrilotriethanol|NSC 36718|Sterolamide|Sting-Kill|TEA|Thiofaco T-35|TRI(2-HYDROETHYL)AMINE|Tri(hydroxyethyl)amine|TRIAETHANOLAMIN|Triethanolamin|Triethylamine, 2,2',2''-trihydroxy-|Triethylolamine|Trihydroxytriethylamine|tris-(2-Hydroxyethyl)amine|Tris(2-hydroxyethyl)amine|Tris(beta-hydroxyethyl)amine|Tris(b-hydroxyethyl)amine|Trolamine|UNII-9O3K93S3TK|105655-27-4|126068-67-5|1429745-86-7|36549-53-8|36549-54-9|36549-55-0|36659-79-7|464917-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021392 https://doi.org/10.22427/NTP-DATA-DTXSID9021392
ERPathway2016 ERPathway2016_733 Triethanolamine 102-71-6 DTXSID9021392 A13 ER Pathway Model, Agonist Call Inactive Unitless OCCN(CCO)CCO Triethanolamine 102-71-6|Triethanolamine|2-(bis(2-hydroxyethyl)amino)ethanol|2-[Bis(2-hydroxyethyl)amino]ethanol|2,2',2''-Nitrilotriethanol|2,2',2''-nitrilotris(ethanol)|2,2',2''-Nitrilotris[ethanol]|2,2',2''-Nitrilotrisethanol|2,2',2"-NITRILOTRETHANOL|2,2',2"-Nitrilotriethanol|2,2',2"-NITRILOTRIS(ETHANOL)|Alkanolamine 244|Biafine|Caswell No. 886|Daltogen|EINECS 203-049-8|EPA Pesticide Chemical Code 004208|Ethanol, 2,2',2''-nitrilotri-|Ethanol, 2,2',2''-nitrilotris-|Ethanol, 2,2'2''-nitrilotris-|H3tea|N(CH2CH2OH)3|nitrilo-2,2',2''-triethanol|Nitrilotriethanol|NSC 36718|Sterolamide|Sting-Kill|TEA|Thiofaco T-35|TRI(2-HYDROETHYL)AMINE|Tri(hydroxyethyl)amine|TRIAETHANOLAMIN|Triethanolamin|Triethylamine, 2,2',2''-trihydroxy-|Triethylolamine|Trihydroxytriethylamine|tris-(2-Hydroxyethyl)amine|Tris(2-hydroxyethyl)amine|Tris(beta-hydroxyethyl)amine|Tris(b-hydroxyethyl)amine|Trolamine|UNII-9O3K93S3TK|105655-27-4|126068-67-5|1429745-86-7|36549-53-8|36549-54-9|36549-55-0|36659-79-7|464917-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021392 https://doi.org/10.22427/NTP-DATA-DTXSID9021392
ERPathway2016 ERPathway2016_733 Triethanolamine 102-71-6 DTXSID9021392 A13 ER Pathway Model, Antagonist Call Inactive Unitless OCCN(CCO)CCO Triethanolamine 102-71-6|Triethanolamine|2-(bis(2-hydroxyethyl)amino)ethanol|2-[Bis(2-hydroxyethyl)amino]ethanol|2,2',2''-Nitrilotriethanol|2,2',2''-nitrilotris(ethanol)|2,2',2''-Nitrilotris[ethanol]|2,2',2''-Nitrilotrisethanol|2,2',2"-NITRILOTRETHANOL|2,2',2"-Nitrilotriethanol|2,2',2"-NITRILOTRIS(ETHANOL)|Alkanolamine 244|Biafine|Caswell No. 886|Daltogen|EINECS 203-049-8|EPA Pesticide Chemical Code 004208|Ethanol, 2,2',2''-nitrilotri-|Ethanol, 2,2',2''-nitrilotris-|Ethanol, 2,2'2''-nitrilotris-|H3tea|N(CH2CH2OH)3|nitrilo-2,2',2''-triethanol|Nitrilotriethanol|NSC 36718|Sterolamide|Sting-Kill|TEA|Thiofaco T-35|TRI(2-HYDROETHYL)AMINE|Tri(hydroxyethyl)amine|TRIAETHANOLAMIN|Triethanolamin|Triethylamine, 2,2',2''-trihydroxy-|Triethylolamine|Trihydroxytriethylamine|tris-(2-Hydroxyethyl)amine|Tris(2-hydroxyethyl)amine|Tris(beta-hydroxyethyl)amine|Tris(b-hydroxyethyl)amine|Trolamine|UNII-9O3K93S3TK|105655-27-4|126068-67-5|1429745-86-7|36549-53-8|36549-54-9|36549-55-0|36659-79-7|464917-26-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021392 https://doi.org/10.22427/NTP-DATA-DTXSID9021392
ARPathway2016 ARPathway2016_977 Triethoxymethylsilane 2031-67-6 DTXSID6042490 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCO[Si](C)(OCC)OCC Triethoxymethylsilane 2031-67-6|Triethoxymethylsilane|4-04-00-04204|BRN 1742453|Dynasylan MIES|Dynasylan MTES|EINECS 217-983-9|ICI-EP 5850|KBE 13LS1890|Methaneorthosiliconic acid, triethyl ester|Methyl triethoxysilane|METHYL-TRIAETHOXY-SILAN|METHYLTRIETHOXYSILANE|Monomethyltriethoxysilane|NSC 5226|Silane, triethoxymethyl-|Silquest A 162|Triethoxy(methyl)silan|Triethoxy(methyl)silane|Triethoxysilylmethane|trietoxi(metil)silano|UNII-N811L6SAVL|Union carbide a-162 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042490
ARPathway2016 ARPathway2016_977 Triethoxymethylsilane 2031-67-6 DTXSID6042490 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCO[Si](C)(OCC)OCC Triethoxymethylsilane 2031-67-6|Triethoxymethylsilane|4-04-00-04204|BRN 1742453|Dynasylan MIES|Dynasylan MTES|EINECS 217-983-9|ICI-EP 5850|KBE 13LS1890|Methaneorthosiliconic acid, triethyl ester|Methyl triethoxysilane|METHYL-TRIAETHOXY-SILAN|METHYLTRIETHOXYSILANE|Monomethyltriethoxysilane|NSC 5226|Silane, triethoxymethyl-|Silquest A 162|Triethoxy(methyl)silan|Triethoxy(methyl)silane|Triethoxysilylmethane|trietoxi(metil)silano|UNII-N811L6SAVL|Union carbide a-162 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042490
ARPathway2016 ARPathway2016_977 Triethoxymethylsilane 2031-67-6 DTXSID6042490 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCO[Si](C)(OCC)OCC Triethoxymethylsilane 2031-67-6|Triethoxymethylsilane|4-04-00-04204|BRN 1742453|Dynasylan MIES|Dynasylan MTES|EINECS 217-983-9|ICI-EP 5850|KBE 13LS1890|Methaneorthosiliconic acid, triethyl ester|Methyl triethoxysilane|METHYL-TRIAETHOXY-SILAN|METHYLTRIETHOXYSILANE|Monomethyltriethoxysilane|NSC 5226|Silane, triethoxymethyl-|Silquest A 162|Triethoxy(methyl)silan|Triethoxy(methyl)silane|Triethoxysilylmethane|trietoxi(metil)silano|UNII-N811L6SAVL|Union carbide a-162 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042490
ARPathway2016 ARPathway2016_977 Triethoxymethylsilane 2031-67-6 DTXSID6042490 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCO[Si](C)(OCC)OCC Triethoxymethylsilane 2031-67-6|Triethoxymethylsilane|4-04-00-04204|BRN 1742453|Dynasylan MIES|Dynasylan MTES|EINECS 217-983-9|ICI-EP 5850|KBE 13LS1890|Methaneorthosiliconic acid, triethyl ester|Methyl triethoxysilane|METHYL-TRIAETHOXY-SILAN|METHYLTRIETHOXYSILANE|Monomethyltriethoxysilane|NSC 5226|Silane, triethoxymethyl-|Silquest A 162|Triethoxy(methyl)silan|Triethoxy(methyl)silane|Triethoxysilylmethane|trietoxi(metil)silano|UNII-N811L6SAVL|Union carbide a-162 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042490
ERPathway2016 ERPathway2016_886 Triethoxymethylsilane 2031-67-6 DTXSID6042490 ER Pathway Model, Agonist Model Score 0 Unitless CCO[Si](C)(OCC)OCC Triethoxymethylsilane 2031-67-6|Triethoxymethylsilane|4-04-00-04204|BRN 1742453|Dynasylan MIES|Dynasylan MTES|EINECS 217-983-9|ICI-EP 5850|KBE 13LS1890|Methaneorthosiliconic acid, triethyl ester|Methyl triethoxysilane|METHYL-TRIAETHOXY-SILAN|METHYLTRIETHOXYSILANE|Monomethyltriethoxysilane|NSC 5226|Silane, triethoxymethyl-|Silquest A 162|Triethoxy(methyl)silan|Triethoxy(methyl)silane|Triethoxysilylmethane|trietoxi(metil)silano|UNII-N811L6SAVL|Union carbide a-162 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042490
ERPathway2016 ERPathway2016_886 Triethoxymethylsilane 2031-67-6 DTXSID6042490 ER Pathway Model, Antagonist Model Score 0 Unitless CCO[Si](C)(OCC)OCC Triethoxymethylsilane 2031-67-6|Triethoxymethylsilane|4-04-00-04204|BRN 1742453|Dynasylan MIES|Dynasylan MTES|EINECS 217-983-9|ICI-EP 5850|KBE 13LS1890|Methaneorthosiliconic acid, triethyl ester|Methyl triethoxysilane|METHYL-TRIAETHOXY-SILAN|METHYLTRIETHOXYSILANE|Monomethyltriethoxysilane|NSC 5226|Silane, triethoxymethyl-|Silquest A 162|Triethoxy(methyl)silan|Triethoxy(methyl)silane|Triethoxysilylmethane|trietoxi(metil)silano|UNII-N811L6SAVL|Union carbide a-162 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042490
ERPathway2016 ERPathway2016_886 Triethoxymethylsilane 2031-67-6 DTXSID6042490 ER Pathway Model, Agonist Call Inactive Unitless CCO[Si](C)(OCC)OCC Triethoxymethylsilane 2031-67-6|Triethoxymethylsilane|4-04-00-04204|BRN 1742453|Dynasylan MIES|Dynasylan MTES|EINECS 217-983-9|ICI-EP 5850|KBE 13LS1890|Methaneorthosiliconic acid, triethyl ester|Methyl triethoxysilane|METHYL-TRIAETHOXY-SILAN|METHYLTRIETHOXYSILANE|Monomethyltriethoxysilane|NSC 5226|Silane, triethoxymethyl-|Silquest A 162|Triethoxy(methyl)silan|Triethoxy(methyl)silane|Triethoxysilylmethane|trietoxi(metil)silano|UNII-N811L6SAVL|Union carbide a-162 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042490
ERPathway2016 ERPathway2016_886 Triethoxymethylsilane 2031-67-6 DTXSID6042490 ER Pathway Model, Antagonist Call Inactive Unitless CCO[Si](C)(OCC)OCC Triethoxymethylsilane 2031-67-6|Triethoxymethylsilane|4-04-00-04204|BRN 1742453|Dynasylan MIES|Dynasylan MTES|EINECS 217-983-9|ICI-EP 5850|KBE 13LS1890|Methaneorthosiliconic acid, triethyl ester|Methyl triethoxysilane|METHYL-TRIAETHOXY-SILAN|METHYLTRIETHOXYSILANE|Monomethyltriethoxysilane|NSC 5226|Silane, triethoxymethyl-|Silquest A 162|Triethoxy(methyl)silan|Triethoxy(methyl)silane|Triethoxysilylmethane|trietoxi(metil)silano|UNII-N811L6SAVL|Union carbide a-162 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042490
ARPathway2016 ARPathway2016_1116 Triethoxyoctylsilane 2943-75-1 DTXSID2029246 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCC[Si](OCC)(OCC)OCC Triethoxyoctylsilane 2943-75-1|Triethoxyoctylsilane|Caprylyltriethoxysilane|Dynasylan OCTEO|EINECS 220-941-2|Enviroseal 40|n-Octyltriethoxysilane|NSC 42964|Octyl(triethoxy)silane|OCTYLTRIETHOXYSILANE|Prosil 9202|Prosil 9234|Silane, triethoxyoctyl-|Silquest A 137|Triethoxy(octyl)silane|Triethoxyoctyl silane|Triethoxyoctylsilan|trietoxioctilsilano|UNII-LDC331P08E|1247019-87-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029246
ARPathway2016 ARPathway2016_1116 Triethoxyoctylsilane 2943-75-1 DTXSID2029246 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCC[Si](OCC)(OCC)OCC Triethoxyoctylsilane 2943-75-1|Triethoxyoctylsilane|Caprylyltriethoxysilane|Dynasylan OCTEO|EINECS 220-941-2|Enviroseal 40|n-Octyltriethoxysilane|NSC 42964|Octyl(triethoxy)silane|OCTYLTRIETHOXYSILANE|Prosil 9202|Prosil 9234|Silane, triethoxyoctyl-|Silquest A 137|Triethoxy(octyl)silane|Triethoxyoctyl silane|Triethoxyoctylsilan|trietoxioctilsilano|UNII-LDC331P08E|1247019-87-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029246
ARPathway2016 ARPathway2016_1116 Triethoxyoctylsilane 2943-75-1 DTXSID2029246 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCC[Si](OCC)(OCC)OCC Triethoxyoctylsilane 2943-75-1|Triethoxyoctylsilane|Caprylyltriethoxysilane|Dynasylan OCTEO|EINECS 220-941-2|Enviroseal 40|n-Octyltriethoxysilane|NSC 42964|Octyl(triethoxy)silane|OCTYLTRIETHOXYSILANE|Prosil 9202|Prosil 9234|Silane, triethoxyoctyl-|Silquest A 137|Triethoxy(octyl)silane|Triethoxyoctyl silane|Triethoxyoctylsilan|trietoxioctilsilano|UNII-LDC331P08E|1247019-87-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029246
ARPathway2016 ARPathway2016_1116 Triethoxyoctylsilane 2943-75-1 DTXSID2029246 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCC[Si](OCC)(OCC)OCC Triethoxyoctylsilane 2943-75-1|Triethoxyoctylsilane|Caprylyltriethoxysilane|Dynasylan OCTEO|EINECS 220-941-2|Enviroseal 40|n-Octyltriethoxysilane|NSC 42964|Octyl(triethoxy)silane|OCTYLTRIETHOXYSILANE|Prosil 9202|Prosil 9234|Silane, triethoxyoctyl-|Silquest A 137|Triethoxy(octyl)silane|Triethoxyoctyl silane|Triethoxyoctylsilan|trietoxioctilsilano|UNII-LDC331P08E|1247019-87-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029246
ERPathway2016 ERPathway2016_909 Triethoxyoctylsilane 2943-75-1 DTXSID2029246 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCC[Si](OCC)(OCC)OCC Triethoxyoctylsilane 2943-75-1|Triethoxyoctylsilane|Caprylyltriethoxysilane|Dynasylan OCTEO|EINECS 220-941-2|Enviroseal 40|n-Octyltriethoxysilane|NSC 42964|Octyl(triethoxy)silane|OCTYLTRIETHOXYSILANE|Prosil 9202|Prosil 9234|Silane, triethoxyoctyl-|Silquest A 137|Triethoxy(octyl)silane|Triethoxyoctyl silane|Triethoxyoctylsilan|trietoxioctilsilano|UNII-LDC331P08E|1247019-87-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029246
ERPathway2016 ERPathway2016_909 Triethoxyoctylsilane 2943-75-1 DTXSID2029246 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCC[Si](OCC)(OCC)OCC Triethoxyoctylsilane 2943-75-1|Triethoxyoctylsilane|Caprylyltriethoxysilane|Dynasylan OCTEO|EINECS 220-941-2|Enviroseal 40|n-Octyltriethoxysilane|NSC 42964|Octyl(triethoxy)silane|OCTYLTRIETHOXYSILANE|Prosil 9202|Prosil 9234|Silane, triethoxyoctyl-|Silquest A 137|Triethoxy(octyl)silane|Triethoxyoctyl silane|Triethoxyoctylsilan|trietoxioctilsilano|UNII-LDC331P08E|1247019-87-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029246
ERPathway2016 ERPathway2016_909 Triethoxyoctylsilane 2943-75-1 DTXSID2029246 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCC[Si](OCC)(OCC)OCC Triethoxyoctylsilane 2943-75-1|Triethoxyoctylsilane|Caprylyltriethoxysilane|Dynasylan OCTEO|EINECS 220-941-2|Enviroseal 40|n-Octyltriethoxysilane|NSC 42964|Octyl(triethoxy)silane|OCTYLTRIETHOXYSILANE|Prosil 9202|Prosil 9234|Silane, triethoxyoctyl-|Silquest A 137|Triethoxy(octyl)silane|Triethoxyoctyl silane|Triethoxyoctylsilan|trietoxioctilsilano|UNII-LDC331P08E|1247019-87-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029246
ERPathway2016 ERPathway2016_909 Triethoxyoctylsilane 2943-75-1 DTXSID2029246 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCC[Si](OCC)(OCC)OCC Triethoxyoctylsilane 2943-75-1|Triethoxyoctylsilane|Caprylyltriethoxysilane|Dynasylan OCTEO|EINECS 220-941-2|Enviroseal 40|n-Octyltriethoxysilane|NSC 42964|Octyl(triethoxy)silane|OCTYLTRIETHOXYSILANE|Prosil 9202|Prosil 9234|Silane, triethoxyoctyl-|Silquest A 137|Triethoxy(octyl)silane|Triethoxyoctyl silane|Triethoxyoctylsilan|trietoxioctilsilano|UNII-LDC331P08E|1247019-87-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029246
ARPathway2016 ARPathway2016_1093 Triethoxypentylsilane 2761-24-2 DTXSID1042491 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC[Si](OCC)(OCC)OCC Triethoxypentylsilane 2761-24-2|Triethoxypentylsilane|Amyltriethoxysilane|BRN 1755079|EINECS 220-429-9|n-Pentyltriethoxysilane|Pentyltriethoxysilane|Silane, triethoxypentyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1042491
ARPathway2016 ARPathway2016_1093 Triethoxypentylsilane 2761-24-2 DTXSID1042491 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC[Si](OCC)(OCC)OCC Triethoxypentylsilane 2761-24-2|Triethoxypentylsilane|Amyltriethoxysilane|BRN 1755079|EINECS 220-429-9|n-Pentyltriethoxysilane|Pentyltriethoxysilane|Silane, triethoxypentyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1042491
ARPathway2016 ARPathway2016_1093 Triethoxypentylsilane 2761-24-2 DTXSID1042491 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC[Si](OCC)(OCC)OCC Triethoxypentylsilane 2761-24-2|Triethoxypentylsilane|Amyltriethoxysilane|BRN 1755079|EINECS 220-429-9|n-Pentyltriethoxysilane|Pentyltriethoxysilane|Silane, triethoxypentyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1042491
ARPathway2016 ARPathway2016_1093 Triethoxypentylsilane 2761-24-2 DTXSID1042491 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC[Si](OCC)(OCC)OCC Triethoxypentylsilane 2761-24-2|Triethoxypentylsilane|Amyltriethoxysilane|BRN 1755079|EINECS 220-429-9|n-Pentyltriethoxysilane|Pentyltriethoxysilane|Silane, triethoxypentyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1042491
ERPathway2016 ERPathway2016_1423 Triethoxypentylsilane 2761-24-2 DTXSID1042491 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC[Si](OCC)(OCC)OCC Triethoxypentylsilane 2761-24-2|Triethoxypentylsilane|Amyltriethoxysilane|BRN 1755079|EINECS 220-429-9|n-Pentyltriethoxysilane|Pentyltriethoxysilane|Silane, triethoxypentyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1042491
ERPathway2016 ERPathway2016_1423 Triethoxypentylsilane 2761-24-2 DTXSID1042491 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC[Si](OCC)(OCC)OCC Triethoxypentylsilane 2761-24-2|Triethoxypentylsilane|Amyltriethoxysilane|BRN 1755079|EINECS 220-429-9|n-Pentyltriethoxysilane|Pentyltriethoxysilane|Silane, triethoxypentyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1042491
ERPathway2016 ERPathway2016_1423 Triethoxypentylsilane 2761-24-2 DTXSID1042491 ER Pathway Model, Agonist Call Inactive Unitless CCCCC[Si](OCC)(OCC)OCC Triethoxypentylsilane 2761-24-2|Triethoxypentylsilane|Amyltriethoxysilane|BRN 1755079|EINECS 220-429-9|n-Pentyltriethoxysilane|Pentyltriethoxysilane|Silane, triethoxypentyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1042491
ERPathway2016 ERPathway2016_1423 Triethoxypentylsilane 2761-24-2 DTXSID1042491 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC[Si](OCC)(OCC)OCC Triethoxypentylsilane 2761-24-2|Triethoxypentylsilane|Amyltriethoxysilane|BRN 1755079|EINECS 220-429-9|n-Pentyltriethoxysilane|Pentyltriethoxysilane|Silane, triethoxypentyl- https://comptox.epa.gov/dashboard/chemical/details/DTXSID1042491
ARPathway2016 ARPathway2016_1567 Triethyl citrate 77-93-0 DTXSID0040701 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC Triethyl citrate 77-93-0|Triethyl citrate|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-triethyl ester|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester|2-Hydroxy-1,2,3-propanetricarboxylic acid triethyl ester|BRN 1801199|Citrate de triethyle|citrato de trietilo|CITRIC ACID, TRIETHYL ESTER|Citroflex 2|Citroflex C 2|Citroflex EC|Citroflex SC 60|Citrofol A 1|Citrofol AI|CITRONENSAEURE-TRIAETHYLESTER|EINECS 201-070-7|Ethyl citrate|Eudraflex|FEMA No. 3083|Hydragen CAT|Morflex C 2|Morflex TEC|NSC 8907|PROPANE-1,2,3-TRICARBOXYLATE, 2-HYDROXY-, TRIETHYL|Triaethylcitrat|Triethyl 2-hydroxy-1,2,3-propanetricarboxylate|Triethylcitrat|Triethylester kyseliny citronove|UNII-8Z96QXD6UM https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040701
ARPathway2016 ARPathway2016_1567 Triethyl citrate 77-93-0 DTXSID0040701 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC Triethyl citrate 77-93-0|Triethyl citrate|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-triethyl ester|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester|2-Hydroxy-1,2,3-propanetricarboxylic acid triethyl ester|BRN 1801199|Citrate de triethyle|citrato de trietilo|CITRIC ACID, TRIETHYL ESTER|Citroflex 2|Citroflex C 2|Citroflex EC|Citroflex SC 60|Citrofol A 1|Citrofol AI|CITRONENSAEURE-TRIAETHYLESTER|EINECS 201-070-7|Ethyl citrate|Eudraflex|FEMA No. 3083|Hydragen CAT|Morflex C 2|Morflex TEC|NSC 8907|PROPANE-1,2,3-TRICARBOXYLATE, 2-HYDROXY-, TRIETHYL|Triaethylcitrat|Triethyl 2-hydroxy-1,2,3-propanetricarboxylate|Triethylcitrat|Triethylester kyseliny citronove|UNII-8Z96QXD6UM https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040701
ARPathway2016 ARPathway2016_1567 Triethyl citrate 77-93-0 DTXSID0040701 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC Triethyl citrate 77-93-0|Triethyl citrate|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-triethyl ester|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester|2-Hydroxy-1,2,3-propanetricarboxylic acid triethyl ester|BRN 1801199|Citrate de triethyle|citrato de trietilo|CITRIC ACID, TRIETHYL ESTER|Citroflex 2|Citroflex C 2|Citroflex EC|Citroflex SC 60|Citrofol A 1|Citrofol AI|CITRONENSAEURE-TRIAETHYLESTER|EINECS 201-070-7|Ethyl citrate|Eudraflex|FEMA No. 3083|Hydragen CAT|Morflex C 2|Morflex TEC|NSC 8907|PROPANE-1,2,3-TRICARBOXYLATE, 2-HYDROXY-, TRIETHYL|Triaethylcitrat|Triethyl 2-hydroxy-1,2,3-propanetricarboxylate|Triethylcitrat|Triethylester kyseliny citronove|UNII-8Z96QXD6UM https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040701
ARPathway2016 ARPathway2016_1567 Triethyl citrate 77-93-0 DTXSID0040701 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC Triethyl citrate 77-93-0|Triethyl citrate|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-triethyl ester|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester|2-Hydroxy-1,2,3-propanetricarboxylic acid triethyl ester|BRN 1801199|Citrate de triethyle|citrato de trietilo|CITRIC ACID, TRIETHYL ESTER|Citroflex 2|Citroflex C 2|Citroflex EC|Citroflex SC 60|Citrofol A 1|Citrofol AI|CITRONENSAEURE-TRIAETHYLESTER|EINECS 201-070-7|Ethyl citrate|Eudraflex|FEMA No. 3083|Hydragen CAT|Morflex C 2|Morflex TEC|NSC 8907|PROPANE-1,2,3-TRICARBOXYLATE, 2-HYDROXY-, TRIETHYL|Triaethylcitrat|Triethyl 2-hydroxy-1,2,3-propanetricarboxylate|Triethylcitrat|Triethylester kyseliny citronove|UNII-8Z96QXD6UM https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040701
ERPathway2016 ERPathway2016_532 Triethyl citrate 77-93-0 DTXSID0040701 R8 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC Triethyl citrate 77-93-0|Triethyl citrate|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-triethyl ester|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester|2-Hydroxy-1,2,3-propanetricarboxylic acid triethyl ester|BRN 1801199|Citrate de triethyle|citrato de trietilo|CITRIC ACID, TRIETHYL ESTER|Citroflex 2|Citroflex C 2|Citroflex EC|Citroflex SC 60|Citrofol A 1|Citrofol AI|CITRONENSAEURE-TRIAETHYLESTER|EINECS 201-070-7|Ethyl citrate|Eudraflex|FEMA No. 3083|Hydragen CAT|Morflex C 2|Morflex TEC|NSC 8907|PROPANE-1,2,3-TRICARBOXYLATE, 2-HYDROXY-, TRIETHYL|Triaethylcitrat|Triethyl 2-hydroxy-1,2,3-propanetricarboxylate|Triethylcitrat|Triethylester kyseliny citronove|UNII-8Z96QXD6UM https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040701
ERPathway2016 ERPathway2016_532 Triethyl citrate 77-93-0 DTXSID0040701 R8 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC Triethyl citrate 77-93-0|Triethyl citrate|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-triethyl ester|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester|2-Hydroxy-1,2,3-propanetricarboxylic acid triethyl ester|BRN 1801199|Citrate de triethyle|citrato de trietilo|CITRIC ACID, TRIETHYL ESTER|Citroflex 2|Citroflex C 2|Citroflex EC|Citroflex SC 60|Citrofol A 1|Citrofol AI|CITRONENSAEURE-TRIAETHYLESTER|EINECS 201-070-7|Ethyl citrate|Eudraflex|FEMA No. 3083|Hydragen CAT|Morflex C 2|Morflex TEC|NSC 8907|PROPANE-1,2,3-TRICARBOXYLATE, 2-HYDROXY-, TRIETHYL|Triaethylcitrat|Triethyl 2-hydroxy-1,2,3-propanetricarboxylate|Triethylcitrat|Triethylester kyseliny citronove|UNII-8Z96QXD6UM https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040701
ERPathway2016 ERPathway2016_532 Triethyl citrate 77-93-0 DTXSID0040701 R8 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC Triethyl citrate 77-93-0|Triethyl citrate|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-triethyl ester|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester|2-Hydroxy-1,2,3-propanetricarboxylic acid triethyl ester|BRN 1801199|Citrate de triethyle|citrato de trietilo|CITRIC ACID, TRIETHYL ESTER|Citroflex 2|Citroflex C 2|Citroflex EC|Citroflex SC 60|Citrofol A 1|Citrofol AI|CITRONENSAEURE-TRIAETHYLESTER|EINECS 201-070-7|Ethyl citrate|Eudraflex|FEMA No. 3083|Hydragen CAT|Morflex C 2|Morflex TEC|NSC 8907|PROPANE-1,2,3-TRICARBOXYLATE, 2-HYDROXY-, TRIETHYL|Triaethylcitrat|Triethyl 2-hydroxy-1,2,3-propanetricarboxylate|Triethylcitrat|Triethylester kyseliny citronove|UNII-8Z96QXD6UM https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040701
ERPathway2016 ERPathway2016_532 Triethyl citrate 77-93-0 DTXSID0040701 R8 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC Triethyl citrate 77-93-0|Triethyl citrate|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-triethyl ester|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester|2-Hydroxy-1,2,3-propanetricarboxylic acid triethyl ester|BRN 1801199|Citrate de triethyle|citrato de trietilo|CITRIC ACID, TRIETHYL ESTER|Citroflex 2|Citroflex C 2|Citroflex EC|Citroflex SC 60|Citrofol A 1|Citrofol AI|CITRONENSAEURE-TRIAETHYLESTER|EINECS 201-070-7|Ethyl citrate|Eudraflex|FEMA No. 3083|Hydragen CAT|Morflex C 2|Morflex TEC|NSC 8907|PROPANE-1,2,3-TRICARBOXYLATE, 2-HYDROXY-, TRIETHYL|Triaethylcitrat|Triethyl 2-hydroxy-1,2,3-propanetricarboxylate|Triethylcitrat|Triethylester kyseliny citronove|UNII-8Z96QXD6UM https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040701
ARPathway2016 ARPathway2016_1570 Triethyl phosphate 78-40-0 DTXSID8026228 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOP(=O)(OCC)OCC Triethyl phosphate 78-40-0|Triethyl phosphate|BRN 1705772|EINECS 201-114-5|Ethyl phosphate|fosfato de trietilo|Levagard TEP|NSC 2677|o-Phosphoric acid triethyl ester|Phosphate de triethyle|Phosphoric acid triethyl ester|Phosphoric acid, triethyl ester|TEP|TRIAETHYLPHOSPHAT|Triethoxyphosphine oxide|Triethylfosfat|Triethylphosphat|Triethylphosphate|Tris(ethyl) phosphate|UNII-QIH4K96K7J https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026228 https://doi.org/10.22427/NTP-DATA-DTXSID8026228
ARPathway2016 ARPathway2016_1570 Triethyl phosphate 78-40-0 DTXSID8026228 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOP(=O)(OCC)OCC Triethyl phosphate 78-40-0|Triethyl phosphate|BRN 1705772|EINECS 201-114-5|Ethyl phosphate|fosfato de trietilo|Levagard TEP|NSC 2677|o-Phosphoric acid triethyl ester|Phosphate de triethyle|Phosphoric acid triethyl ester|Phosphoric acid, triethyl ester|TEP|TRIAETHYLPHOSPHAT|Triethoxyphosphine oxide|Triethylfosfat|Triethylphosphat|Triethylphosphate|Tris(ethyl) phosphate|UNII-QIH4K96K7J https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026228 https://doi.org/10.22427/NTP-DATA-DTXSID8026228
ARPathway2016 ARPathway2016_1570 Triethyl phosphate 78-40-0 DTXSID8026228 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOP(=O)(OCC)OCC Triethyl phosphate 78-40-0|Triethyl phosphate|BRN 1705772|EINECS 201-114-5|Ethyl phosphate|fosfato de trietilo|Levagard TEP|NSC 2677|o-Phosphoric acid triethyl ester|Phosphate de triethyle|Phosphoric acid triethyl ester|Phosphoric acid, triethyl ester|TEP|TRIAETHYLPHOSPHAT|Triethoxyphosphine oxide|Triethylfosfat|Triethylphosphat|Triethylphosphate|Tris(ethyl) phosphate|UNII-QIH4K96K7J https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026228 https://doi.org/10.22427/NTP-DATA-DTXSID8026228
ARPathway2016 ARPathway2016_1570 Triethyl phosphate 78-40-0 DTXSID8026228 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOP(=O)(OCC)OCC Triethyl phosphate 78-40-0|Triethyl phosphate|BRN 1705772|EINECS 201-114-5|Ethyl phosphate|fosfato de trietilo|Levagard TEP|NSC 2677|o-Phosphoric acid triethyl ester|Phosphate de triethyle|Phosphoric acid triethyl ester|Phosphoric acid, triethyl ester|TEP|TRIAETHYLPHOSPHAT|Triethoxyphosphine oxide|Triethylfosfat|Triethylphosphat|Triethylphosphate|Tris(ethyl) phosphate|UNII-QIH4K96K7J https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026228 https://doi.org/10.22427/NTP-DATA-DTXSID8026228
ERPathway2016 ERPathway2016_1661 Triethyl phosphate 78-40-0 DTXSID8026228 ER Pathway Model, Agonist Model Score 0 Unitless CCOP(=O)(OCC)OCC Triethyl phosphate 78-40-0|Triethyl phosphate|BRN 1705772|EINECS 201-114-5|Ethyl phosphate|fosfato de trietilo|Levagard TEP|NSC 2677|o-Phosphoric acid triethyl ester|Phosphate de triethyle|Phosphoric acid triethyl ester|Phosphoric acid, triethyl ester|TEP|TRIAETHYLPHOSPHAT|Triethoxyphosphine oxide|Triethylfosfat|Triethylphosphat|Triethylphosphate|Tris(ethyl) phosphate|UNII-QIH4K96K7J https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026228 https://doi.org/10.22427/NTP-DATA-DTXSID8026228
ERPathway2016 ERPathway2016_1661 Triethyl phosphate 78-40-0 DTXSID8026228 ER Pathway Model, Antagonist Model Score 0 Unitless CCOP(=O)(OCC)OCC Triethyl phosphate 78-40-0|Triethyl phosphate|BRN 1705772|EINECS 201-114-5|Ethyl phosphate|fosfato de trietilo|Levagard TEP|NSC 2677|o-Phosphoric acid triethyl ester|Phosphate de triethyle|Phosphoric acid triethyl ester|Phosphoric acid, triethyl ester|TEP|TRIAETHYLPHOSPHAT|Triethoxyphosphine oxide|Triethylfosfat|Triethylphosphat|Triethylphosphate|Tris(ethyl) phosphate|UNII-QIH4K96K7J https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026228 https://doi.org/10.22427/NTP-DATA-DTXSID8026228
ERPathway2016 ERPathway2016_1661 Triethyl phosphate 78-40-0 DTXSID8026228 ER Pathway Model, Agonist Call Inactive Unitless CCOP(=O)(OCC)OCC Triethyl phosphate 78-40-0|Triethyl phosphate|BRN 1705772|EINECS 201-114-5|Ethyl phosphate|fosfato de trietilo|Levagard TEP|NSC 2677|o-Phosphoric acid triethyl ester|Phosphate de triethyle|Phosphoric acid triethyl ester|Phosphoric acid, triethyl ester|TEP|TRIAETHYLPHOSPHAT|Triethoxyphosphine oxide|Triethylfosfat|Triethylphosphat|Triethylphosphate|Tris(ethyl) phosphate|UNII-QIH4K96K7J https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026228 https://doi.org/10.22427/NTP-DATA-DTXSID8026228
ERPathway2016 ERPathway2016_1661 Triethyl phosphate 78-40-0 DTXSID8026228 ER Pathway Model, Antagonist Call Inactive Unitless CCOP(=O)(OCC)OCC Triethyl phosphate 78-40-0|Triethyl phosphate|BRN 1705772|EINECS 201-114-5|Ethyl phosphate|fosfato de trietilo|Levagard TEP|NSC 2677|o-Phosphoric acid triethyl ester|Phosphate de triethyle|Phosphoric acid triethyl ester|Phosphoric acid, triethyl ester|TEP|TRIAETHYLPHOSPHAT|Triethoxyphosphine oxide|Triethylfosfat|Triethylphosphat|Triethylphosphate|Tris(ethyl) phosphate|UNII-QIH4K96K7J https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026228 https://doi.org/10.22427/NTP-DATA-DTXSID8026228
ARPathway2016 ARPathway2016_601 Triethylene glycol 112-27-6 DTXSID4021393 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OCCOCCOCCO Triethylene glycol 112-27-6|Triethylene glycol|1,2-Bis(2-hydroxyethoxy)ethane|1,2-Di(b-hydroxyethoxy)ethane|1,8-Dihydroxy-3,6-dioxaoctane|2-[2-(2-HYDROXY-ETHOXY)-ETHOXY]-ETHANOL|2-[2-(2-Hydroxyethoxy)ethoxy]ethanol|2,2'-(1,2-Ethanediyl bis (oxy))-bisethanol|2,2'-(Ethylendioxy)diethanol|2,2'-(ethylenedioxy)diethanol|2,2'-(etilendioxi)dietanol|2,2'-[1,2-Ethanediylbis(oxy)]bisethanol|2,2'-[ethane-1,2-diylbis(oxy)]diethanol|2,2'-Ethylenedioxybis(ethanol)|2,2'-Ethylenedioxydiethanol|2,2'-Ethylenedioxyethanol|3,6-Dioxaoctane-1,8-diol|4-01-00-02400|Bis(2-hydroxyethoxyethane)|BRN 0969357|Caswell No. 888|di-beta-hydroxyethoxyethane|EINECS 203-953-2|EPA Pesticide Chemical Code 083501|Ethanol, 2,2'-(ethylenedioxy)di-|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-|Ethanol, 2,2'-bis[1,2-ethanediylbis(oxy)]bis-|Ethylene glycol dihydroxydiethyl ether|Ethylene glycol-bis-(2-hydroxyethyl ether)|Glycol bis(hydroxyethyl) ether|NSC 60758|OCTANE-1,8-DIOL, 3,6-DIOXA-|TEG|TRIAETHYLENGLYKOL|Triethyleneglycol|Triethylenglykol|Triglycol|UNII-3P5SU53360|118662-30-9|121202-29-7|676-18-6|939972-01-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021393 https://doi.org/10.22427/NTP-DATA-DTXSID4021393
ARPathway2016 ARPathway2016_601 Triethylene glycol 112-27-6 DTXSID4021393 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OCCOCCOCCO Triethylene glycol 112-27-6|Triethylene glycol|1,2-Bis(2-hydroxyethoxy)ethane|1,2-Di(b-hydroxyethoxy)ethane|1,8-Dihydroxy-3,6-dioxaoctane|2-[2-(2-HYDROXY-ETHOXY)-ETHOXY]-ETHANOL|2-[2-(2-Hydroxyethoxy)ethoxy]ethanol|2,2'-(1,2-Ethanediyl bis (oxy))-bisethanol|2,2'-(Ethylendioxy)diethanol|2,2'-(ethylenedioxy)diethanol|2,2'-(etilendioxi)dietanol|2,2'-[1,2-Ethanediylbis(oxy)]bisethanol|2,2'-[ethane-1,2-diylbis(oxy)]diethanol|2,2'-Ethylenedioxybis(ethanol)|2,2'-Ethylenedioxydiethanol|2,2'-Ethylenedioxyethanol|3,6-Dioxaoctane-1,8-diol|4-01-00-02400|Bis(2-hydroxyethoxyethane)|BRN 0969357|Caswell No. 888|di-beta-hydroxyethoxyethane|EINECS 203-953-2|EPA Pesticide Chemical Code 083501|Ethanol, 2,2'-(ethylenedioxy)di-|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-|Ethanol, 2,2'-bis[1,2-ethanediylbis(oxy)]bis-|Ethylene glycol dihydroxydiethyl ether|Ethylene glycol-bis-(2-hydroxyethyl ether)|Glycol bis(hydroxyethyl) ether|NSC 60758|OCTANE-1,8-DIOL, 3,6-DIOXA-|TEG|TRIAETHYLENGLYKOL|Triethyleneglycol|Triethylenglykol|Triglycol|UNII-3P5SU53360|118662-30-9|121202-29-7|676-18-6|939972-01-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021393 https://doi.org/10.22427/NTP-DATA-DTXSID4021393
ARPathway2016 ARPathway2016_601 Triethylene glycol 112-27-6 DTXSID4021393 0.0 AR Pathway Model, Agonist Call Inactive Unitless OCCOCCOCCO Triethylene glycol 112-27-6|Triethylene glycol|1,2-Bis(2-hydroxyethoxy)ethane|1,2-Di(b-hydroxyethoxy)ethane|1,8-Dihydroxy-3,6-dioxaoctane|2-[2-(2-HYDROXY-ETHOXY)-ETHOXY]-ETHANOL|2-[2-(2-Hydroxyethoxy)ethoxy]ethanol|2,2'-(1,2-Ethanediyl bis (oxy))-bisethanol|2,2'-(Ethylendioxy)diethanol|2,2'-(ethylenedioxy)diethanol|2,2'-(etilendioxi)dietanol|2,2'-[1,2-Ethanediylbis(oxy)]bisethanol|2,2'-[ethane-1,2-diylbis(oxy)]diethanol|2,2'-Ethylenedioxybis(ethanol)|2,2'-Ethylenedioxydiethanol|2,2'-Ethylenedioxyethanol|3,6-Dioxaoctane-1,8-diol|4-01-00-02400|Bis(2-hydroxyethoxyethane)|BRN 0969357|Caswell No. 888|di-beta-hydroxyethoxyethane|EINECS 203-953-2|EPA Pesticide Chemical Code 083501|Ethanol, 2,2'-(ethylenedioxy)di-|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-|Ethanol, 2,2'-bis[1,2-ethanediylbis(oxy)]bis-|Ethylene glycol dihydroxydiethyl ether|Ethylene glycol-bis-(2-hydroxyethyl ether)|Glycol bis(hydroxyethyl) ether|NSC 60758|OCTANE-1,8-DIOL, 3,6-DIOXA-|TEG|TRIAETHYLENGLYKOL|Triethyleneglycol|Triethylenglykol|Triglycol|UNII-3P5SU53360|118662-30-9|121202-29-7|676-18-6|939972-01-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021393 https://doi.org/10.22427/NTP-DATA-DTXSID4021393
ARPathway2016 ARPathway2016_601 Triethylene glycol 112-27-6 DTXSID4021393 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OCCOCCOCCO Triethylene glycol 112-27-6|Triethylene glycol|1,2-Bis(2-hydroxyethoxy)ethane|1,2-Di(b-hydroxyethoxy)ethane|1,8-Dihydroxy-3,6-dioxaoctane|2-[2-(2-HYDROXY-ETHOXY)-ETHOXY]-ETHANOL|2-[2-(2-Hydroxyethoxy)ethoxy]ethanol|2,2'-(1,2-Ethanediyl bis (oxy))-bisethanol|2,2'-(Ethylendioxy)diethanol|2,2'-(ethylenedioxy)diethanol|2,2'-(etilendioxi)dietanol|2,2'-[1,2-Ethanediylbis(oxy)]bisethanol|2,2'-[ethane-1,2-diylbis(oxy)]diethanol|2,2'-Ethylenedioxybis(ethanol)|2,2'-Ethylenedioxydiethanol|2,2'-Ethylenedioxyethanol|3,6-Dioxaoctane-1,8-diol|4-01-00-02400|Bis(2-hydroxyethoxyethane)|BRN 0969357|Caswell No. 888|di-beta-hydroxyethoxyethane|EINECS 203-953-2|EPA Pesticide Chemical Code 083501|Ethanol, 2,2'-(ethylenedioxy)di-|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-|Ethanol, 2,2'-bis[1,2-ethanediylbis(oxy)]bis-|Ethylene glycol dihydroxydiethyl ether|Ethylene glycol-bis-(2-hydroxyethyl ether)|Glycol bis(hydroxyethyl) ether|NSC 60758|OCTANE-1,8-DIOL, 3,6-DIOXA-|TEG|TRIAETHYLENGLYKOL|Triethyleneglycol|Triethylenglykol|Triglycol|UNII-3P5SU53360|118662-30-9|121202-29-7|676-18-6|939972-01-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021393 https://doi.org/10.22427/NTP-DATA-DTXSID4021393
ERPathway2016 ERPathway2016_1170 Triethylene glycol 112-27-6 DTXSID4021393 ER Pathway Model, Agonist Model Score 0 Unitless OCCOCCOCCO Triethylene glycol 112-27-6|Triethylene glycol|1,2-Bis(2-hydroxyethoxy)ethane|1,2-Di(b-hydroxyethoxy)ethane|1,8-Dihydroxy-3,6-dioxaoctane|2-[2-(2-HYDROXY-ETHOXY)-ETHOXY]-ETHANOL|2-[2-(2-Hydroxyethoxy)ethoxy]ethanol|2,2'-(1,2-Ethanediyl bis (oxy))-bisethanol|2,2'-(Ethylendioxy)diethanol|2,2'-(ethylenedioxy)diethanol|2,2'-(etilendioxi)dietanol|2,2'-[1,2-Ethanediylbis(oxy)]bisethanol|2,2'-[ethane-1,2-diylbis(oxy)]diethanol|2,2'-Ethylenedioxybis(ethanol)|2,2'-Ethylenedioxydiethanol|2,2'-Ethylenedioxyethanol|3,6-Dioxaoctane-1,8-diol|4-01-00-02400|Bis(2-hydroxyethoxyethane)|BRN 0969357|Caswell No. 888|di-beta-hydroxyethoxyethane|EINECS 203-953-2|EPA Pesticide Chemical Code 083501|Ethanol, 2,2'-(ethylenedioxy)di-|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-|Ethanol, 2,2'-bis[1,2-ethanediylbis(oxy)]bis-|Ethylene glycol dihydroxydiethyl ether|Ethylene glycol-bis-(2-hydroxyethyl ether)|Glycol bis(hydroxyethyl) ether|NSC 60758|OCTANE-1,8-DIOL, 3,6-DIOXA-|TEG|TRIAETHYLENGLYKOL|Triethyleneglycol|Triethylenglykol|Triglycol|UNII-3P5SU53360|118662-30-9|121202-29-7|676-18-6|939972-01-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021393 https://doi.org/10.22427/NTP-DATA-DTXSID4021393
ERPathway2016 ERPathway2016_1170 Triethylene glycol 112-27-6 DTXSID4021393 ER Pathway Model, Antagonist Model Score 0 Unitless OCCOCCOCCO Triethylene glycol 112-27-6|Triethylene glycol|1,2-Bis(2-hydroxyethoxy)ethane|1,2-Di(b-hydroxyethoxy)ethane|1,8-Dihydroxy-3,6-dioxaoctane|2-[2-(2-HYDROXY-ETHOXY)-ETHOXY]-ETHANOL|2-[2-(2-Hydroxyethoxy)ethoxy]ethanol|2,2'-(1,2-Ethanediyl bis (oxy))-bisethanol|2,2'-(Ethylendioxy)diethanol|2,2'-(ethylenedioxy)diethanol|2,2'-(etilendioxi)dietanol|2,2'-[1,2-Ethanediylbis(oxy)]bisethanol|2,2'-[ethane-1,2-diylbis(oxy)]diethanol|2,2'-Ethylenedioxybis(ethanol)|2,2'-Ethylenedioxydiethanol|2,2'-Ethylenedioxyethanol|3,6-Dioxaoctane-1,8-diol|4-01-00-02400|Bis(2-hydroxyethoxyethane)|BRN 0969357|Caswell No. 888|di-beta-hydroxyethoxyethane|EINECS 203-953-2|EPA Pesticide Chemical Code 083501|Ethanol, 2,2'-(ethylenedioxy)di-|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-|Ethanol, 2,2'-bis[1,2-ethanediylbis(oxy)]bis-|Ethylene glycol dihydroxydiethyl ether|Ethylene glycol-bis-(2-hydroxyethyl ether)|Glycol bis(hydroxyethyl) ether|NSC 60758|OCTANE-1,8-DIOL, 3,6-DIOXA-|TEG|TRIAETHYLENGLYKOL|Triethyleneglycol|Triethylenglykol|Triglycol|UNII-3P5SU53360|118662-30-9|121202-29-7|676-18-6|939972-01-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021393 https://doi.org/10.22427/NTP-DATA-DTXSID4021393
ERPathway2016 ERPathway2016_1170 Triethylene glycol 112-27-6 DTXSID4021393 ER Pathway Model, Agonist Call Inactive Unitless OCCOCCOCCO Triethylene glycol 112-27-6|Triethylene glycol|1,2-Bis(2-hydroxyethoxy)ethane|1,2-Di(b-hydroxyethoxy)ethane|1,8-Dihydroxy-3,6-dioxaoctane|2-[2-(2-HYDROXY-ETHOXY)-ETHOXY]-ETHANOL|2-[2-(2-Hydroxyethoxy)ethoxy]ethanol|2,2'-(1,2-Ethanediyl bis (oxy))-bisethanol|2,2'-(Ethylendioxy)diethanol|2,2'-(ethylenedioxy)diethanol|2,2'-(etilendioxi)dietanol|2,2'-[1,2-Ethanediylbis(oxy)]bisethanol|2,2'-[ethane-1,2-diylbis(oxy)]diethanol|2,2'-Ethylenedioxybis(ethanol)|2,2'-Ethylenedioxydiethanol|2,2'-Ethylenedioxyethanol|3,6-Dioxaoctane-1,8-diol|4-01-00-02400|Bis(2-hydroxyethoxyethane)|BRN 0969357|Caswell No. 888|di-beta-hydroxyethoxyethane|EINECS 203-953-2|EPA Pesticide Chemical Code 083501|Ethanol, 2,2'-(ethylenedioxy)di-|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-|Ethanol, 2,2'-bis[1,2-ethanediylbis(oxy)]bis-|Ethylene glycol dihydroxydiethyl ether|Ethylene glycol-bis-(2-hydroxyethyl ether)|Glycol bis(hydroxyethyl) ether|NSC 60758|OCTANE-1,8-DIOL, 3,6-DIOXA-|TEG|TRIAETHYLENGLYKOL|Triethyleneglycol|Triethylenglykol|Triglycol|UNII-3P5SU53360|118662-30-9|121202-29-7|676-18-6|939972-01-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021393 https://doi.org/10.22427/NTP-DATA-DTXSID4021393
ERPathway2016 ERPathway2016_1170 Triethylene glycol 112-27-6 DTXSID4021393 ER Pathway Model, Antagonist Call Inactive Unitless OCCOCCOCCO Triethylene glycol 112-27-6|Triethylene glycol|1,2-Bis(2-hydroxyethoxy)ethane|1,2-Di(b-hydroxyethoxy)ethane|1,8-Dihydroxy-3,6-dioxaoctane|2-[2-(2-HYDROXY-ETHOXY)-ETHOXY]-ETHANOL|2-[2-(2-Hydroxyethoxy)ethoxy]ethanol|2,2'-(1,2-Ethanediyl bis (oxy))-bisethanol|2,2'-(Ethylendioxy)diethanol|2,2'-(ethylenedioxy)diethanol|2,2'-(etilendioxi)dietanol|2,2'-[1,2-Ethanediylbis(oxy)]bisethanol|2,2'-[ethane-1,2-diylbis(oxy)]diethanol|2,2'-Ethylenedioxybis(ethanol)|2,2'-Ethylenedioxydiethanol|2,2'-Ethylenedioxyethanol|3,6-Dioxaoctane-1,8-diol|4-01-00-02400|Bis(2-hydroxyethoxyethane)|BRN 0969357|Caswell No. 888|di-beta-hydroxyethoxyethane|EINECS 203-953-2|EPA Pesticide Chemical Code 083501|Ethanol, 2,2'-(ethylenedioxy)di-|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-|Ethanol, 2,2'-bis[1,2-ethanediylbis(oxy)]bis-|Ethylene glycol dihydroxydiethyl ether|Ethylene glycol-bis-(2-hydroxyethyl ether)|Glycol bis(hydroxyethyl) ether|NSC 60758|OCTANE-1,8-DIOL, 3,6-DIOXA-|TEG|TRIAETHYLENGLYKOL|Triethyleneglycol|Triethylenglykol|Triglycol|UNII-3P5SU53360|118662-30-9|121202-29-7|676-18-6|939972-01-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021393 https://doi.org/10.22427/NTP-DATA-DTXSID4021393
ARPathway2016 ARPathway2016_1739 Triethylene glycol bis(2-ethylhexanoate) 94-28-0 DTXSID3026564 0.0 A5 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC Triethylene glycol bis(2-ethylhexanoate) 94-28-0|Triethylene glycol bis(2-ethylhexanoate)|BRN 1806809|EINECS 202-319-2|Flexol plasticizer 3GO|Hexanoic acid, 2-ethyl-, 1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester|Hexanoic acid, 2-ethyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester|Hexanoic acid, 2-ethyl-, diester with triethylene glycol|Triethylene glycol di(2-ethylhexoate)|Triethylene glycol, bis(2-ethylhexanoate)|1264485-21-3|1330-87-6|73513-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026564
ARPathway2016 ARPathway2016_1739 Triethylene glycol bis(2-ethylhexanoate) 94-28-0 DTXSID3026564 0.0 A5 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC Triethylene glycol bis(2-ethylhexanoate) 94-28-0|Triethylene glycol bis(2-ethylhexanoate)|BRN 1806809|EINECS 202-319-2|Flexol plasticizer 3GO|Hexanoic acid, 2-ethyl-, 1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester|Hexanoic acid, 2-ethyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester|Hexanoic acid, 2-ethyl-, diester with triethylene glycol|Triethylene glycol di(2-ethylhexoate)|Triethylene glycol, bis(2-ethylhexanoate)|1264485-21-3|1330-87-6|73513-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026564
ARPathway2016 ARPathway2016_1739 Triethylene glycol bis(2-ethylhexanoate) 94-28-0 DTXSID3026564 0.0 A5 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC Triethylene glycol bis(2-ethylhexanoate) 94-28-0|Triethylene glycol bis(2-ethylhexanoate)|BRN 1806809|EINECS 202-319-2|Flexol plasticizer 3GO|Hexanoic acid, 2-ethyl-, 1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester|Hexanoic acid, 2-ethyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester|Hexanoic acid, 2-ethyl-, diester with triethylene glycol|Triethylene glycol di(2-ethylhexoate)|Triethylene glycol, bis(2-ethylhexanoate)|1264485-21-3|1330-87-6|73513-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026564
ARPathway2016 ARPathway2016_1739 Triethylene glycol bis(2-ethylhexanoate) 94-28-0 DTXSID3026564 0.0 A5 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC Triethylene glycol bis(2-ethylhexanoate) 94-28-0|Triethylene glycol bis(2-ethylhexanoate)|BRN 1806809|EINECS 202-319-2|Flexol plasticizer 3GO|Hexanoic acid, 2-ethyl-, 1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester|Hexanoic acid, 2-ethyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester|Hexanoic acid, 2-ethyl-, diester with triethylene glycol|Triethylene glycol di(2-ethylhexoate)|Triethylene glycol, bis(2-ethylhexanoate)|1264485-21-3|1330-87-6|73513-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026564
ERPathway2016 ERPathway2016_1753 Triethylene glycol bis(2-ethylhexanoate) 94-28-0 DTXSID3026564 ER Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC Triethylene glycol bis(2-ethylhexanoate) 94-28-0|Triethylene glycol bis(2-ethylhexanoate)|BRN 1806809|EINECS 202-319-2|Flexol plasticizer 3GO|Hexanoic acid, 2-ethyl-, 1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester|Hexanoic acid, 2-ethyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester|Hexanoic acid, 2-ethyl-, diester with triethylene glycol|Triethylene glycol di(2-ethylhexoate)|Triethylene glycol, bis(2-ethylhexanoate)|1264485-21-3|1330-87-6|73513-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026564
ERPathway2016 ERPathway2016_1753 Triethylene glycol bis(2-ethylhexanoate) 94-28-0 DTXSID3026564 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC Triethylene glycol bis(2-ethylhexanoate) 94-28-0|Triethylene glycol bis(2-ethylhexanoate)|BRN 1806809|EINECS 202-319-2|Flexol plasticizer 3GO|Hexanoic acid, 2-ethyl-, 1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester|Hexanoic acid, 2-ethyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester|Hexanoic acid, 2-ethyl-, diester with triethylene glycol|Triethylene glycol di(2-ethylhexoate)|Triethylene glycol, bis(2-ethylhexanoate)|1264485-21-3|1330-87-6|73513-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026564
ERPathway2016 ERPathway2016_1753 Triethylene glycol bis(2-ethylhexanoate) 94-28-0 DTXSID3026564 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC Triethylene glycol bis(2-ethylhexanoate) 94-28-0|Triethylene glycol bis(2-ethylhexanoate)|BRN 1806809|EINECS 202-319-2|Flexol plasticizer 3GO|Hexanoic acid, 2-ethyl-, 1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester|Hexanoic acid, 2-ethyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester|Hexanoic acid, 2-ethyl-, diester with triethylene glycol|Triethylene glycol di(2-ethylhexoate)|Triethylene glycol, bis(2-ethylhexanoate)|1264485-21-3|1330-87-6|73513-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026564
ERPathway2016 ERPathway2016_1753 Triethylene glycol bis(2-ethylhexanoate) 94-28-0 DTXSID3026564 ER Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC Triethylene glycol bis(2-ethylhexanoate) 94-28-0|Triethylene glycol bis(2-ethylhexanoate)|BRN 1806809|EINECS 202-319-2|Flexol plasticizer 3GO|Hexanoic acid, 2-ethyl-, 1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester|Hexanoic acid, 2-ethyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester|Hexanoic acid, 2-ethyl-, diester with triethylene glycol|Triethylene glycol di(2-ethylhexoate)|Triethylene glycol, bis(2-ethylhexanoate)|1264485-21-3|1330-87-6|73513-61-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026564
ARPathway2016 ARPathway2016_563 Triethylene glycol diacetate 111-21-7 DTXSID3026223 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OCCOCCOCCOC(C)=O Triethylene glycol diacetate 111-21-7|Triethylene glycol diacetate|2,2'-(Ethylenedioxy)di(ethyl acetate)|Acetic acid, triethylene glycol diester|BRN 1789453|EINECS 203-846-0|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-diacetate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate|Ethanol, 2,2'-ethylenedioxydi-, diacetate|NSC 2591|Triglycol, diacetate|UNII-A559792B4Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026223 https://doi.org/10.22427/NTP-DATA-DTXSID3026223
ARPathway2016 ARPathway2016_563 Triethylene glycol diacetate 111-21-7 DTXSID3026223 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(=O)OCCOCCOCCOC(C)=O Triethylene glycol diacetate 111-21-7|Triethylene glycol diacetate|2,2'-(Ethylenedioxy)di(ethyl acetate)|Acetic acid, triethylene glycol diester|BRN 1789453|EINECS 203-846-0|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-diacetate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate|Ethanol, 2,2'-ethylenedioxydi-, diacetate|NSC 2591|Triglycol, diacetate|UNII-A559792B4Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026223 https://doi.org/10.22427/NTP-DATA-DTXSID3026223
ARPathway2016 ARPathway2016_563 Triethylene glycol diacetate 111-21-7 DTXSID3026223 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(=O)OCCOCCOCCOC(C)=O Triethylene glycol diacetate 111-21-7|Triethylene glycol diacetate|2,2'-(Ethylenedioxy)di(ethyl acetate)|Acetic acid, triethylene glycol diester|BRN 1789453|EINECS 203-846-0|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-diacetate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate|Ethanol, 2,2'-ethylenedioxydi-, diacetate|NSC 2591|Triglycol, diacetate|UNII-A559792B4Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026223 https://doi.org/10.22427/NTP-DATA-DTXSID3026223
ARPathway2016 ARPathway2016_563 Triethylene glycol diacetate 111-21-7 DTXSID3026223 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(=O)OCCOCCOCCOC(C)=O Triethylene glycol diacetate 111-21-7|Triethylene glycol diacetate|2,2'-(Ethylenedioxy)di(ethyl acetate)|Acetic acid, triethylene glycol diester|BRN 1789453|EINECS 203-846-0|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-diacetate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate|Ethanol, 2,2'-ethylenedioxydi-, diacetate|NSC 2591|Triglycol, diacetate|UNII-A559792B4Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026223 https://doi.org/10.22427/NTP-DATA-DTXSID3026223
ERPathway2016 ERPathway2016_1149 Triethylene glycol diacetate 111-21-7 DTXSID3026223 ER Pathway Model, Agonist Model Score 0 Unitless CC(=O)OCCOCCOCCOC(C)=O Triethylene glycol diacetate 111-21-7|Triethylene glycol diacetate|2,2'-(Ethylenedioxy)di(ethyl acetate)|Acetic acid, triethylene glycol diester|BRN 1789453|EINECS 203-846-0|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-diacetate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate|Ethanol, 2,2'-ethylenedioxydi-, diacetate|NSC 2591|Triglycol, diacetate|UNII-A559792B4Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026223 https://doi.org/10.22427/NTP-DATA-DTXSID3026223
ERPathway2016 ERPathway2016_1149 Triethylene glycol diacetate 111-21-7 DTXSID3026223 ER Pathway Model, Antagonist Model Score 0 Unitless CC(=O)OCCOCCOCCOC(C)=O Triethylene glycol diacetate 111-21-7|Triethylene glycol diacetate|2,2'-(Ethylenedioxy)di(ethyl acetate)|Acetic acid, triethylene glycol diester|BRN 1789453|EINECS 203-846-0|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-diacetate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate|Ethanol, 2,2'-ethylenedioxydi-, diacetate|NSC 2591|Triglycol, diacetate|UNII-A559792B4Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026223 https://doi.org/10.22427/NTP-DATA-DTXSID3026223
ERPathway2016 ERPathway2016_1149 Triethylene glycol diacetate 111-21-7 DTXSID3026223 ER Pathway Model, Agonist Call Inactive Unitless CC(=O)OCCOCCOCCOC(C)=O Triethylene glycol diacetate 111-21-7|Triethylene glycol diacetate|2,2'-(Ethylenedioxy)di(ethyl acetate)|Acetic acid, triethylene glycol diester|BRN 1789453|EINECS 203-846-0|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-diacetate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate|Ethanol, 2,2'-ethylenedioxydi-, diacetate|NSC 2591|Triglycol, diacetate|UNII-A559792B4Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026223 https://doi.org/10.22427/NTP-DATA-DTXSID3026223
ERPathway2016 ERPathway2016_1149 Triethylene glycol diacetate 111-21-7 DTXSID3026223 ER Pathway Model, Antagonist Call Inactive Unitless CC(=O)OCCOCCOCCOC(C)=O Triethylene glycol diacetate 111-21-7|Triethylene glycol diacetate|2,2'-(Ethylenedioxy)di(ethyl acetate)|Acetic acid, triethylene glycol diester|BRN 1789453|EINECS 203-846-0|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 1,1'-diacetate|Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate|Ethanol, 2,2'-ethylenedioxydi-, diacetate|NSC 2591|Triglycol, diacetate|UNII-A559792B4Q https://comptox.epa.gov/dashboard/chemical/details/DTXSID3026223 https://doi.org/10.22427/NTP-DATA-DTXSID3026223
ARPathway2016 ARPathway2016_609 Triethylene glycol dimethyl ether 112-49-2 DTXSID8026224 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COCCOCCOCCOC Triethylene glycol dimethyl ether 112-49-2|Triethylene glycol dimethyl ether|1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane|1,2-Bis(2-methoxyethoxy)ethan|1,2-Bis(2-methoxyethoxy)ethane|1,2-bis(2-metoxietoxi)etano|2,5,8,11-Tetraoxadodecane|Ansul Ether 161|BRN 1700630|dimethyl ether of triethylene glycol|DODECANE, 2,5,8,11-TETRAOXA-|EINECS 203-977-3|Ethane, 1,2-bis(2-methoxyethoxy)-|Glycol, triethylene-, dimethyl ether|Glyme 4|Hisolve MTM|Methyltriglyme|NSC 66400|TEGDIME|Triglyme|UNII-32YXG88KK0|70992-85-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026224 https://doi.org/10.22427/NTP-DATA-DTXSID8026224
ARPathway2016 ARPathway2016_609 Triethylene glycol dimethyl ether 112-49-2 DTXSID8026224 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COCCOCCOCCOC Triethylene glycol dimethyl ether 112-49-2|Triethylene glycol dimethyl ether|1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane|1,2-Bis(2-methoxyethoxy)ethan|1,2-Bis(2-methoxyethoxy)ethane|1,2-bis(2-metoxietoxi)etano|2,5,8,11-Tetraoxadodecane|Ansul Ether 161|BRN 1700630|dimethyl ether of triethylene glycol|DODECANE, 2,5,8,11-TETRAOXA-|EINECS 203-977-3|Ethane, 1,2-bis(2-methoxyethoxy)-|Glycol, triethylene-, dimethyl ether|Glyme 4|Hisolve MTM|Methyltriglyme|NSC 66400|TEGDIME|Triglyme|UNII-32YXG88KK0|70992-85-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026224 https://doi.org/10.22427/NTP-DATA-DTXSID8026224
ARPathway2016 ARPathway2016_609 Triethylene glycol dimethyl ether 112-49-2 DTXSID8026224 0.0 AR Pathway Model, Agonist Call Inactive Unitless COCCOCCOCCOC Triethylene glycol dimethyl ether 112-49-2|Triethylene glycol dimethyl ether|1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane|1,2-Bis(2-methoxyethoxy)ethan|1,2-Bis(2-methoxyethoxy)ethane|1,2-bis(2-metoxietoxi)etano|2,5,8,11-Tetraoxadodecane|Ansul Ether 161|BRN 1700630|dimethyl ether of triethylene glycol|DODECANE, 2,5,8,11-TETRAOXA-|EINECS 203-977-3|Ethane, 1,2-bis(2-methoxyethoxy)-|Glycol, triethylene-, dimethyl ether|Glyme 4|Hisolve MTM|Methyltriglyme|NSC 66400|TEGDIME|Triglyme|UNII-32YXG88KK0|70992-85-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026224 https://doi.org/10.22427/NTP-DATA-DTXSID8026224
ARPathway2016 ARPathway2016_609 Triethylene glycol dimethyl ether 112-49-2 DTXSID8026224 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COCCOCCOCCOC Triethylene glycol dimethyl ether 112-49-2|Triethylene glycol dimethyl ether|1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane|1,2-Bis(2-methoxyethoxy)ethan|1,2-Bis(2-methoxyethoxy)ethane|1,2-bis(2-metoxietoxi)etano|2,5,8,11-Tetraoxadodecane|Ansul Ether 161|BRN 1700630|dimethyl ether of triethylene glycol|DODECANE, 2,5,8,11-TETRAOXA-|EINECS 203-977-3|Ethane, 1,2-bis(2-methoxyethoxy)-|Glycol, triethylene-, dimethyl ether|Glyme 4|Hisolve MTM|Methyltriglyme|NSC 66400|TEGDIME|Triglyme|UNII-32YXG88KK0|70992-85-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026224 https://doi.org/10.22427/NTP-DATA-DTXSID8026224
ERPathway2016 ERPathway2016_1175 Triethylene glycol dimethyl ether 112-49-2 DTXSID8026224 ER Pathway Model, Agonist Model Score 0 Unitless COCCOCCOCCOC Triethylene glycol dimethyl ether 112-49-2|Triethylene glycol dimethyl ether|1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane|1,2-Bis(2-methoxyethoxy)ethan|1,2-Bis(2-methoxyethoxy)ethane|1,2-bis(2-metoxietoxi)etano|2,5,8,11-Tetraoxadodecane|Ansul Ether 161|BRN 1700630|dimethyl ether of triethylene glycol|DODECANE, 2,5,8,11-TETRAOXA-|EINECS 203-977-3|Ethane, 1,2-bis(2-methoxyethoxy)-|Glycol, triethylene-, dimethyl ether|Glyme 4|Hisolve MTM|Methyltriglyme|NSC 66400|TEGDIME|Triglyme|UNII-32YXG88KK0|70992-85-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026224 https://doi.org/10.22427/NTP-DATA-DTXSID8026224
ERPathway2016 ERPathway2016_1175 Triethylene glycol dimethyl ether 112-49-2 DTXSID8026224 ER Pathway Model, Antagonist Model Score 0 Unitless COCCOCCOCCOC Triethylene glycol dimethyl ether 112-49-2|Triethylene glycol dimethyl ether|1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane|1,2-Bis(2-methoxyethoxy)ethan|1,2-Bis(2-methoxyethoxy)ethane|1,2-bis(2-metoxietoxi)etano|2,5,8,11-Tetraoxadodecane|Ansul Ether 161|BRN 1700630|dimethyl ether of triethylene glycol|DODECANE, 2,5,8,11-TETRAOXA-|EINECS 203-977-3|Ethane, 1,2-bis(2-methoxyethoxy)-|Glycol, triethylene-, dimethyl ether|Glyme 4|Hisolve MTM|Methyltriglyme|NSC 66400|TEGDIME|Triglyme|UNII-32YXG88KK0|70992-85-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026224 https://doi.org/10.22427/NTP-DATA-DTXSID8026224
ERPathway2016 ERPathway2016_1175 Triethylene glycol dimethyl ether 112-49-2 DTXSID8026224 ER Pathway Model, Agonist Call Inactive Unitless COCCOCCOCCOC Triethylene glycol dimethyl ether 112-49-2|Triethylene glycol dimethyl ether|1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane|1,2-Bis(2-methoxyethoxy)ethan|1,2-Bis(2-methoxyethoxy)ethane|1,2-bis(2-metoxietoxi)etano|2,5,8,11-Tetraoxadodecane|Ansul Ether 161|BRN 1700630|dimethyl ether of triethylene glycol|DODECANE, 2,5,8,11-TETRAOXA-|EINECS 203-977-3|Ethane, 1,2-bis(2-methoxyethoxy)-|Glycol, triethylene-, dimethyl ether|Glyme 4|Hisolve MTM|Methyltriglyme|NSC 66400|TEGDIME|Triglyme|UNII-32YXG88KK0|70992-85-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026224 https://doi.org/10.22427/NTP-DATA-DTXSID8026224
ERPathway2016 ERPathway2016_1175 Triethylene glycol dimethyl ether 112-49-2 DTXSID8026224 ER Pathway Model, Antagonist Call Inactive Unitless COCCOCCOCCOC Triethylene glycol dimethyl ether 112-49-2|Triethylene glycol dimethyl ether|1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane|1,2-Bis(2-methoxyethoxy)ethan|1,2-Bis(2-methoxyethoxy)ethane|1,2-bis(2-metoxietoxi)etano|2,5,8,11-Tetraoxadodecane|Ansul Ether 161|BRN 1700630|dimethyl ether of triethylene glycol|DODECANE, 2,5,8,11-TETRAOXA-|EINECS 203-977-3|Ethane, 1,2-bis(2-methoxyethoxy)-|Glycol, triethylene-, dimethyl ether|Glyme 4|Hisolve MTM|Methyltriglyme|NSC 66400|TEGDIME|Triglyme|UNII-32YXG88KK0|70992-85-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8026224 https://doi.org/10.22427/NTP-DATA-DTXSID8026224
ARPathway2016 ARPathway2016_838 Trifloxystrobin 141517-21-7 DTXSID4032580 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Antagonist Model Score 0 Unitless CON=C(C(=O)OC)C1=CC=CC=C1CON=C(/C)C1=CC(=CC=C1)C(F)(F)F Trifloxystrobin 141517-21-7|Trifloxystrobin|604-237-6|Benzeneacetic acid, a-(methoxyimino)-2-[[[(E)-[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (aE)-|Benzeneacetic acid, a-(methoxyimino)-2-[[[[(1E)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (aE)-|Benzeneacetic acid, a-(methoxyimino)-2-[[[[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (E,E)-|CGA 279202|CGA-279202|Compass|Compass (strobilurin fungicide)|Consist|EC No.: 604-237-6|Flint|Flint (fungicide)|Flint 25|Flint 50WG|Methyl (2E)-(methoxyimino)(2-{[({(1E)-1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)acetate|Methyl (2E)-(methoxyimino)[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetate|Methyl (E,E)-alpha-(methoxyimino)-2-[[[[1-(alpha,alpha,alpha-trifluoro-m-tolyl)ethylidene]amino]oxy]methyl]phenylacetate|Methyl (E,E)-a-(Methoxyimino)-2-[[[[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]benzeneacetate|Methyl (E)-Methoxyimino-{(E)-a-[1-(a,a,a-trif|1135441-48-3|221007-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032580
ARPathway2016 ARPathway2016_838 Trifloxystrobin 141517-21-7 DTXSID4032580 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CON=C(C(=O)OC)C1=CC=CC=C1CON=C(/C)C1=CC(=CC=C1)C(F)(F)F Trifloxystrobin 141517-21-7|Trifloxystrobin|604-237-6|Benzeneacetic acid, a-(methoxyimino)-2-[[[(E)-[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (aE)-|Benzeneacetic acid, a-(methoxyimino)-2-[[[[(1E)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (aE)-|Benzeneacetic acid, a-(methoxyimino)-2-[[[[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (E,E)-|CGA 279202|CGA-279202|Compass|Compass (strobilurin fungicide)|Consist|EC No.: 604-237-6|Flint|Flint (fungicide)|Flint 25|Flint 50WG|Methyl (2E)-(methoxyimino)(2-{[({(1E)-1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)acetate|Methyl (2E)-(methoxyimino)[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetate|Methyl (E,E)-alpha-(methoxyimino)-2-[[[[1-(alpha,alpha,alpha-trifluoro-m-tolyl)ethylidene]amino]oxy]methyl]phenylacetate|Methyl (E,E)-a-(Methoxyimino)-2-[[[[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]benzeneacetate|Methyl (E)-Methoxyimino-{(E)-a-[1-(a,a,a-trif|1135441-48-3|221007-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032580
ARPathway2016 ARPathway2016_838 Trifloxystrobin 141517-21-7 DTXSID4032580 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Agonist Call Inactive Unitless CON=C(C(=O)OC)C1=CC=CC=C1CON=C(/C)C1=CC(=CC=C1)C(F)(F)F Trifloxystrobin 141517-21-7|Trifloxystrobin|604-237-6|Benzeneacetic acid, a-(methoxyimino)-2-[[[(E)-[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (aE)-|Benzeneacetic acid, a-(methoxyimino)-2-[[[[(1E)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (aE)-|Benzeneacetic acid, a-(methoxyimino)-2-[[[[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (E,E)-|CGA 279202|CGA-279202|Compass|Compass (strobilurin fungicide)|Consist|EC No.: 604-237-6|Flint|Flint (fungicide)|Flint 25|Flint 50WG|Methyl (2E)-(methoxyimino)(2-{[({(1E)-1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)acetate|Methyl (2E)-(methoxyimino)[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetate|Methyl (E,E)-alpha-(methoxyimino)-2-[[[[1-(alpha,alpha,alpha-trifluoro-m-tolyl)ethylidene]amino]oxy]methyl]phenylacetate|Methyl (E,E)-a-(Methoxyimino)-2-[[[[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]benzeneacetate|Methyl (E)-Methoxyimino-{(E)-a-[1-(a,a,a-trif|1135441-48-3|221007-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032580
ARPathway2016 ARPathway2016_838 Trifloxystrobin 141517-21-7 DTXSID4032580 FLAG: Wrong direction shift (Hit/Hit) -1.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CON=C(C(=O)OC)C1=CC=CC=C1CON=C(/C)C1=CC(=CC=C1)C(F)(F)F Trifloxystrobin 141517-21-7|Trifloxystrobin|604-237-6|Benzeneacetic acid, a-(methoxyimino)-2-[[[(E)-[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (aE)-|Benzeneacetic acid, a-(methoxyimino)-2-[[[[(1E)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (aE)-|Benzeneacetic acid, a-(methoxyimino)-2-[[[[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (E,E)-|CGA 279202|CGA-279202|Compass|Compass (strobilurin fungicide)|Consist|EC No.: 604-237-6|Flint|Flint (fungicide)|Flint 25|Flint 50WG|Methyl (2E)-(methoxyimino)(2-{[({(1E)-1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)acetate|Methyl (2E)-(methoxyimino)[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetate|Methyl (E,E)-alpha-(methoxyimino)-2-[[[[1-(alpha,alpha,alpha-trifluoro-m-tolyl)ethylidene]amino]oxy]methyl]phenylacetate|Methyl (E,E)-a-(Methoxyimino)-2-[[[[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]benzeneacetate|Methyl (E)-Methoxyimino-{(E)-a-[1-(a,a,a-trif|1135441-48-3|221007-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032580
ERPathway2016 ERPathway2016_569 Trifloxystrobin 141517-21-7 DTXSID4032580 R9 ER Pathway Model, Agonist Model Score 0 Unitless CON=C(C(=O)OC)C1=CC=CC=C1CON=C(/C)C1=CC(=CC=C1)C(F)(F)F Trifloxystrobin 141517-21-7|Trifloxystrobin|604-237-6|Benzeneacetic acid, a-(methoxyimino)-2-[[[(E)-[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (aE)-|Benzeneacetic acid, a-(methoxyimino)-2-[[[[(1E)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (aE)-|Benzeneacetic acid, a-(methoxyimino)-2-[[[[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (E,E)-|CGA 279202|CGA-279202|Compass|Compass (strobilurin fungicide)|Consist|EC No.: 604-237-6|Flint|Flint (fungicide)|Flint 25|Flint 50WG|Methyl (2E)-(methoxyimino)(2-{[({(1E)-1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)acetate|Methyl (2E)-(methoxyimino)[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetate|Methyl (E,E)-alpha-(methoxyimino)-2-[[[[1-(alpha,alpha,alpha-trifluoro-m-tolyl)ethylidene]amino]oxy]methyl]phenylacetate|Methyl (E,E)-a-(Methoxyimino)-2-[[[[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]benzeneacetate|Methyl (E)-Methoxyimino-{(E)-a-[1-(a,a,a-trif|1135441-48-3|221007-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032580
ERPathway2016 ERPathway2016_569 Trifloxystrobin 141517-21-7 DTXSID4032580 R9 ER Pathway Model, Antagonist Model Score 0 Unitless CON=C(C(=O)OC)C1=CC=CC=C1CON=C(/C)C1=CC(=CC=C1)C(F)(F)F Trifloxystrobin 141517-21-7|Trifloxystrobin|604-237-6|Benzeneacetic acid, a-(methoxyimino)-2-[[[(E)-[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (aE)-|Benzeneacetic acid, a-(methoxyimino)-2-[[[[(1E)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (aE)-|Benzeneacetic acid, a-(methoxyimino)-2-[[[[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (E,E)-|CGA 279202|CGA-279202|Compass|Compass (strobilurin fungicide)|Consist|EC No.: 604-237-6|Flint|Flint (fungicide)|Flint 25|Flint 50WG|Methyl (2E)-(methoxyimino)(2-{[({(1E)-1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)acetate|Methyl (2E)-(methoxyimino)[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetate|Methyl (E,E)-alpha-(methoxyimino)-2-[[[[1-(alpha,alpha,alpha-trifluoro-m-tolyl)ethylidene]amino]oxy]methyl]phenylacetate|Methyl (E,E)-a-(Methoxyimino)-2-[[[[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]benzeneacetate|Methyl (E)-Methoxyimino-{(E)-a-[1-(a,a,a-trif|1135441-48-3|221007-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032580
ERPathway2016 ERPathway2016_569 Trifloxystrobin 141517-21-7 DTXSID4032580 R9 ER Pathway Model, Agonist Call Inactive Unitless CON=C(C(=O)OC)C1=CC=CC=C1CON=C(/C)C1=CC(=CC=C1)C(F)(F)F Trifloxystrobin 141517-21-7|Trifloxystrobin|604-237-6|Benzeneacetic acid, a-(methoxyimino)-2-[[[(E)-[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (aE)-|Benzeneacetic acid, a-(methoxyimino)-2-[[[[(1E)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (aE)-|Benzeneacetic acid, a-(methoxyimino)-2-[[[[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (E,E)-|CGA 279202|CGA-279202|Compass|Compass (strobilurin fungicide)|Consist|EC No.: 604-237-6|Flint|Flint (fungicide)|Flint 25|Flint 50WG|Methyl (2E)-(methoxyimino)(2-{[({(1E)-1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)acetate|Methyl (2E)-(methoxyimino)[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetate|Methyl (E,E)-alpha-(methoxyimino)-2-[[[[1-(alpha,alpha,alpha-trifluoro-m-tolyl)ethylidene]amino]oxy]methyl]phenylacetate|Methyl (E,E)-a-(Methoxyimino)-2-[[[[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]benzeneacetate|Methyl (E)-Methoxyimino-{(E)-a-[1-(a,a,a-trif|1135441-48-3|221007-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032580
ERPathway2016 ERPathway2016_569 Trifloxystrobin 141517-21-7 DTXSID4032580 R9 ER Pathway Model, Antagonist Call Inactive Unitless CON=C(C(=O)OC)C1=CC=CC=C1CON=C(/C)C1=CC(=CC=C1)C(F)(F)F Trifloxystrobin 141517-21-7|Trifloxystrobin|604-237-6|Benzeneacetic acid, a-(methoxyimino)-2-[[[(E)-[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (aE)-|Benzeneacetic acid, a-(methoxyimino)-2-[[[[(1E)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (aE)-|Benzeneacetic acid, a-(methoxyimino)-2-[[[[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (E,E)-|CGA 279202|CGA-279202|Compass|Compass (strobilurin fungicide)|Consist|EC No.: 604-237-6|Flint|Flint (fungicide)|Flint 25|Flint 50WG|Methyl (2E)-(methoxyimino)(2-{[({(1E)-1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)acetate|Methyl (2E)-(methoxyimino)[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetate|Methyl (E,E)-alpha-(methoxyimino)-2-[[[[1-(alpha,alpha,alpha-trifluoro-m-tolyl)ethylidene]amino]oxy]methyl]phenylacetate|Methyl (E,E)-a-(Methoxyimino)-2-[[[[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]benzeneacetate|Methyl (E)-Methoxyimino-{(E)-a-[1-(a,a,a-trif|1135441-48-3|221007-60-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4032580
ARPathway2016 ARPathway2016_972 Trifloxysulfuron-sodium 199119-58-9 DTXSID8040222 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless [Na+].COC1=CC(OC)=NC(NC(=O)[N-]S(=O)(=O)C2=NC=CC=C2OCC(F)(F)F)=N1 Trifloxysulfuron-sodium 199119-58-9|Trifloxysulfuron-sodium|2-Pyridinesulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-, monosodium salt|2- Pyridinesulfonamide, N- [[(4, 6- dimethoxy- 2- pyrimidinyl) amino] carbonyl] - 3- (2, 2, 2- trifluoroethoxy) - , sodium salt (1:1)|CGA 362622|Envoke|Monument|NOJ 120|sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[[3-(2,2,2-trifluoroethoxy)-2-pyridyl]sulfonyl]azanide|Sodium [(4,6-dimethoxypyrimidin-2-yl)carbamoyl][3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonyl]azanide|Trifloxysulfuron sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040222
ARPathway2016 ARPathway2016_972 Trifloxysulfuron-sodium 199119-58-9 DTXSID8040222 0.0 AR Pathway Model, Agonist Model Score 0 Unitless [Na+].COC1=CC(OC)=NC(NC(=O)[N-]S(=O)(=O)C2=NC=CC=C2OCC(F)(F)F)=N1 Trifloxysulfuron-sodium 199119-58-9|Trifloxysulfuron-sodium|2-Pyridinesulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-, monosodium salt|2- Pyridinesulfonamide, N- [[(4, 6- dimethoxy- 2- pyrimidinyl) amino] carbonyl] - 3- (2, 2, 2- trifluoroethoxy) - , sodium salt (1:1)|CGA 362622|Envoke|Monument|NOJ 120|sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[[3-(2,2,2-trifluoroethoxy)-2-pyridyl]sulfonyl]azanide|Sodium [(4,6-dimethoxypyrimidin-2-yl)carbamoyl][3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonyl]azanide|Trifloxysulfuron sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040222
ARPathway2016 ARPathway2016_972 Trifloxysulfuron-sodium 199119-58-9 DTXSID8040222 0.0 AR Pathway Model, Agonist Call Inactive Unitless [Na+].COC1=CC(OC)=NC(NC(=O)[N-]S(=O)(=O)C2=NC=CC=C2OCC(F)(F)F)=N1 Trifloxysulfuron-sodium 199119-58-9|Trifloxysulfuron-sodium|2-Pyridinesulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-, monosodium salt|2- Pyridinesulfonamide, N- [[(4, 6- dimethoxy- 2- pyrimidinyl) amino] carbonyl] - 3- (2, 2, 2- trifluoroethoxy) - , sodium salt (1:1)|CGA 362622|Envoke|Monument|NOJ 120|sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[[3-(2,2,2-trifluoroethoxy)-2-pyridyl]sulfonyl]azanide|Sodium [(4,6-dimethoxypyrimidin-2-yl)carbamoyl][3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonyl]azanide|Trifloxysulfuron sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040222
ARPathway2016 ARPathway2016_972 Trifloxysulfuron-sodium 199119-58-9 DTXSID8040222 0.0 AR Pathway Model, Antagonist Call Inactive Unitless [Na+].COC1=CC(OC)=NC(NC(=O)[N-]S(=O)(=O)C2=NC=CC=C2OCC(F)(F)F)=N1 Trifloxysulfuron-sodium 199119-58-9|Trifloxysulfuron-sodium|2-Pyridinesulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-, monosodium salt|2- Pyridinesulfonamide, N- [[(4, 6- dimethoxy- 2- pyrimidinyl) amino] carbonyl] - 3- (2, 2, 2- trifluoroethoxy) - , sodium salt (1:1)|CGA 362622|Envoke|Monument|NOJ 120|sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[[3-(2,2,2-trifluoroethoxy)-2-pyridyl]sulfonyl]azanide|Sodium [(4,6-dimethoxypyrimidin-2-yl)carbamoyl][3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonyl]azanide|Trifloxysulfuron sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040222
ERPathway2016 ERPathway2016_459 Trifloxysulfuron-sodium 199119-58-9 DTXSID8040222 ER Pathway Model, Antagonist AC50 39.4483533336514 uM [Na+].COC1=CC(OC)=NC(NC(=O)[N-]S(=O)(=O)C2=NC=CC=C2OCC(F)(F)F)=N1 Trifloxysulfuron-sodium 199119-58-9|Trifloxysulfuron-sodium|2-Pyridinesulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-, monosodium salt|2- Pyridinesulfonamide, N- [[(4, 6- dimethoxy- 2- pyrimidinyl) amino] carbonyl] - 3- (2, 2, 2- trifluoroethoxy) - , sodium salt (1:1)|CGA 362622|Envoke|Monument|NOJ 120|sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[[3-(2,2,2-trifluoroethoxy)-2-pyridyl]sulfonyl]azanide|Sodium [(4,6-dimethoxypyrimidin-2-yl)carbamoyl][3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonyl]azanide|Trifloxysulfuron sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040222
ERPathway2016 ERPathway2016_459 Trifloxysulfuron-sodium 199119-58-9 DTXSID8040222 ER Pathway Model, Antagonist ACC 45.2599399914075 uM [Na+].COC1=CC(OC)=NC(NC(=O)[N-]S(=O)(=O)C2=NC=CC=C2OCC(F)(F)F)=N1 Trifloxysulfuron-sodium 199119-58-9|Trifloxysulfuron-sodium|2-Pyridinesulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-, monosodium salt|2- Pyridinesulfonamide, N- [[(4, 6- dimethoxy- 2- pyrimidinyl) amino] carbonyl] - 3- (2, 2, 2- trifluoroethoxy) - , sodium salt (1:1)|CGA 362622|Envoke|Monument|NOJ 120|sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[[3-(2,2,2-trifluoroethoxy)-2-pyridyl]sulfonyl]azanide|Sodium [(4,6-dimethoxypyrimidin-2-yl)carbamoyl][3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonyl]azanide|Trifloxysulfuron sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040222
ERPathway2016 ERPathway2016_459 Trifloxysulfuron-sodium 199119-58-9 DTXSID8040222 ER Pathway Model, Agonist Model Score 0.00375 Unitless [Na+].COC1=CC(OC)=NC(NC(=O)[N-]S(=O)(=O)C2=NC=CC=C2OCC(F)(F)F)=N1 Trifloxysulfuron-sodium 199119-58-9|Trifloxysulfuron-sodium|2-Pyridinesulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-, monosodium salt|2- Pyridinesulfonamide, N- [[(4, 6- dimethoxy- 2- pyrimidinyl) amino] carbonyl] - 3- (2, 2, 2- trifluoroethoxy) - , sodium salt (1:1)|CGA 362622|Envoke|Monument|NOJ 120|sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[[3-(2,2,2-trifluoroethoxy)-2-pyridyl]sulfonyl]azanide|Sodium [(4,6-dimethoxypyrimidin-2-yl)carbamoyl][3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonyl]azanide|Trifloxysulfuron sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040222
ERPathway2016 ERPathway2016_459 Trifloxysulfuron-sodium 199119-58-9 DTXSID8040222 ER Pathway Model, Antagonist Model Score 0 Unitless [Na+].COC1=CC(OC)=NC(NC(=O)[N-]S(=O)(=O)C2=NC=CC=C2OCC(F)(F)F)=N1 Trifloxysulfuron-sodium 199119-58-9|Trifloxysulfuron-sodium|2-Pyridinesulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-, monosodium salt|2- Pyridinesulfonamide, N- [[(4, 6- dimethoxy- 2- pyrimidinyl) amino] carbonyl] - 3- (2, 2, 2- trifluoroethoxy) - , sodium salt (1:1)|CGA 362622|Envoke|Monument|NOJ 120|sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[[3-(2,2,2-trifluoroethoxy)-2-pyridyl]sulfonyl]azanide|Sodium [(4,6-dimethoxypyrimidin-2-yl)carbamoyl][3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonyl]azanide|Trifloxysulfuron sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040222
ERPathway2016 ERPathway2016_459 Trifloxysulfuron-sodium 199119-58-9 DTXSID8040222 ER Pathway Model, Agonist Call Inactive Unitless [Na+].COC1=CC(OC)=NC(NC(=O)[N-]S(=O)(=O)C2=NC=CC=C2OCC(F)(F)F)=N1 Trifloxysulfuron-sodium 199119-58-9|Trifloxysulfuron-sodium|2-Pyridinesulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-, monosodium salt|2- Pyridinesulfonamide, N- [[(4, 6- dimethoxy- 2- pyrimidinyl) amino] carbonyl] - 3- (2, 2, 2- trifluoroethoxy) - , sodium salt (1:1)|CGA 362622|Envoke|Monument|NOJ 120|sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[[3-(2,2,2-trifluoroethoxy)-2-pyridyl]sulfonyl]azanide|Sodium [(4,6-dimethoxypyrimidin-2-yl)carbamoyl][3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonyl]azanide|Trifloxysulfuron sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040222
ERPathway2016 ERPathway2016_459 Trifloxysulfuron-sodium 199119-58-9 DTXSID8040222 ER Pathway Model, Antagonist Call Active Unitless [Na+].COC1=CC(OC)=NC(NC(=O)[N-]S(=O)(=O)C2=NC=CC=C2OCC(F)(F)F)=N1 Trifloxysulfuron-sodium 199119-58-9|Trifloxysulfuron-sodium|2-Pyridinesulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-, monosodium salt|2- Pyridinesulfonamide, N- [[(4, 6- dimethoxy- 2- pyrimidinyl) amino] carbonyl] - 3- (2, 2, 2- trifluoroethoxy) - , sodium salt (1:1)|CGA 362622|Envoke|Monument|NOJ 120|sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[[3-(2,2,2-trifluoroethoxy)-2-pyridyl]sulfonyl]azanide|Sodium [(4,6-dimethoxypyrimidin-2-yl)carbamoyl][3-(2,2,2-trifluoroethoxy)pyridine-2-sulfonyl]azanide|Trifloxysulfuron sodium salt https://comptox.epa.gov/dashboard/chemical/details/DTXSID8040222
ARPathway2016 ARPathway2016_253 Triflumizole 68694-11-1 DTXSID2032500 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 32.6735084420491 uM CCCOCC(=N/C1=C(C=C(Cl)C=C1)C(F)(F)F)N1C=CN=C1 Triflumizole 68694-11-1|Triflumizole|(1E)-N-(4-Chloro-2-(trifluoromethyl)phenyl)-1-(1H-imidazol-1-yl)-2-propoxyethanimine|(1E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-imidazol-1-yl)-2-propoxyethan-1-imine|(E)-4-chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|[N(E)]-4-chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine|1-(1-((4-Chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-1H-imidazole|1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-1H-imidazole|1H-Imidazole, 1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-|1H-Imidazole, 1-[1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-, (E)-|4-Chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|4-chloro-N-[(1E)-1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)aniline|614-708-8|Benzenamine, 4- chloro- N- [1- (1H- imidazol- 1- yl) - 2- propoxyethylidene] - 2- (trifluoromethyl) - , [N(E) ] -|C|1135441-23-4|121280-28-2|124282-24-2|128395-88-0|136169-57-8|99387-89-0|99403-07-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032500
ARPathway2016 ARPathway2016_253 Triflumizole 68694-11-1 DTXSID2032500 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 21.00477118 uM CCCOCC(=N/C1=C(C=C(Cl)C=C1)C(F)(F)F)N1C=CN=C1 Triflumizole 68694-11-1|Triflumizole|(1E)-N-(4-Chloro-2-(trifluoromethyl)phenyl)-1-(1H-imidazol-1-yl)-2-propoxyethanimine|(1E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-imidazol-1-yl)-2-propoxyethan-1-imine|(E)-4-chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|[N(E)]-4-chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine|1-(1-((4-Chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-1H-imidazole|1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-1H-imidazole|1H-Imidazole, 1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-|1H-Imidazole, 1-[1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-, (E)-|4-Chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|4-chloro-N-[(1E)-1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)aniline|614-708-8|Benzenamine, 4- chloro- N- [1- (1H- imidazol- 1- yl) - 2- propoxyethylidene] - 2- (trifluoromethyl) - , [N(E) ] -|C|1135441-23-4|121280-28-2|124282-24-2|128395-88-0|136169-57-8|99387-89-0|99403-07-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032500
ARPathway2016 ARPathway2016_253 Triflumizole 68694-11-1 DTXSID2032500 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.212 Unitless CCCOCC(=N/C1=C(C=C(Cl)C=C1)C(F)(F)F)N1C=CN=C1 Triflumizole 68694-11-1|Triflumizole|(1E)-N-(4-Chloro-2-(trifluoromethyl)phenyl)-1-(1H-imidazol-1-yl)-2-propoxyethanimine|(1E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-imidazol-1-yl)-2-propoxyethan-1-imine|(E)-4-chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|[N(E)]-4-chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine|1-(1-((4-Chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-1H-imidazole|1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-1H-imidazole|1H-Imidazole, 1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-|1H-Imidazole, 1-[1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-, (E)-|4-Chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|4-chloro-N-[(1E)-1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)aniline|614-708-8|Benzenamine, 4- chloro- N- [1- (1H- imidazol- 1- yl) - 2- propoxyethylidene] - 2- (trifluoromethyl) - , [N(E) ] -|C|1135441-23-4|121280-28-2|124282-24-2|128395-88-0|136169-57-8|99387-89-0|99403-07-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032500
ARPathway2016 ARPathway2016_253 Triflumizole 68694-11-1 DTXSID2032500 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CCCOCC(=N/C1=C(C=C(Cl)C=C1)C(F)(F)F)N1C=CN=C1 Triflumizole 68694-11-1|Triflumizole|(1E)-N-(4-Chloro-2-(trifluoromethyl)phenyl)-1-(1H-imidazol-1-yl)-2-propoxyethanimine|(1E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-imidazol-1-yl)-2-propoxyethan-1-imine|(E)-4-chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|[N(E)]-4-chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine|1-(1-((4-Chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-1H-imidazole|1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-1H-imidazole|1H-Imidazole, 1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-|1H-Imidazole, 1-[1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-, (E)-|4-Chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|4-chloro-N-[(1E)-1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)aniline|614-708-8|Benzenamine, 4- chloro- N- [1- (1H- imidazol- 1- yl) - 2- propoxyethylidene] - 2- (trifluoromethyl) - , [N(E) ] -|C|1135441-23-4|121280-28-2|124282-24-2|128395-88-0|136169-57-8|99387-89-0|99403-07-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032500
ARPathway2016 ARPathway2016_253 Triflumizole 68694-11-1 DTXSID2032500 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CCCOCC(=N/C1=C(C=C(Cl)C=C1)C(F)(F)F)N1C=CN=C1 Triflumizole 68694-11-1|Triflumizole|(1E)-N-(4-Chloro-2-(trifluoromethyl)phenyl)-1-(1H-imidazol-1-yl)-2-propoxyethanimine|(1E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-imidazol-1-yl)-2-propoxyethan-1-imine|(E)-4-chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|[N(E)]-4-chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine|1-(1-((4-Chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-1H-imidazole|1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-1H-imidazole|1H-Imidazole, 1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-|1H-Imidazole, 1-[1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-, (E)-|4-Chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|4-chloro-N-[(1E)-1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)aniline|614-708-8|Benzenamine, 4- chloro- N- [1- (1H- imidazol- 1- yl) - 2- propoxyethylidene] - 2- (trifluoromethyl) - , [N(E) ] -|C|1135441-23-4|121280-28-2|124282-24-2|128395-88-0|136169-57-8|99387-89-0|99403-07-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032500
ARPathway2016 ARPathway2016_253 Triflumizole 68694-11-1 DTXSID2032500 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CCCOCC(=N/C1=C(C=C(Cl)C=C1)C(F)(F)F)N1C=CN=C1 Triflumizole 68694-11-1|Triflumizole|(1E)-N-(4-Chloro-2-(trifluoromethyl)phenyl)-1-(1H-imidazol-1-yl)-2-propoxyethanimine|(1E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-imidazol-1-yl)-2-propoxyethan-1-imine|(E)-4-chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|[N(E)]-4-chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine|1-(1-((4-Chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-1H-imidazole|1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-1H-imidazole|1H-Imidazole, 1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-|1H-Imidazole, 1-[1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-, (E)-|4-Chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|4-chloro-N-[(1E)-1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)aniline|614-708-8|Benzenamine, 4- chloro- N- [1- (1H- imidazol- 1- yl) - 2- propoxyethylidene] - 2- (trifluoromethyl) - , [N(E) ] -|C|1135441-23-4|121280-28-2|124282-24-2|128395-88-0|136169-57-8|99387-89-0|99403-07-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032500
ERPathway2016 ERPathway2016_584 Triflumizole 68694-11-1 DTXSID2032500 A13 ER Pathway Model, Agonist Model Score 0 Unitless CCCOCC(=N/C1=C(C=C(Cl)C=C1)C(F)(F)F)N1C=CN=C1 Triflumizole 68694-11-1|Triflumizole|(1E)-N-(4-Chloro-2-(trifluoromethyl)phenyl)-1-(1H-imidazol-1-yl)-2-propoxyethanimine|(1E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-imidazol-1-yl)-2-propoxyethan-1-imine|(E)-4-chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|[N(E)]-4-chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine|1-(1-((4-Chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-1H-imidazole|1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-1H-imidazole|1H-Imidazole, 1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-|1H-Imidazole, 1-[1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-, (E)-|4-Chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|4-chloro-N-[(1E)-1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)aniline|614-708-8|Benzenamine, 4- chloro- N- [1- (1H- imidazol- 1- yl) - 2- propoxyethylidene] - 2- (trifluoromethyl) - , [N(E) ] -|C|1135441-23-4|121280-28-2|124282-24-2|128395-88-0|136169-57-8|99387-89-0|99403-07-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032500
ERPathway2016 ERPathway2016_584 Triflumizole 68694-11-1 DTXSID2032500 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CCCOCC(=N/C1=C(C=C(Cl)C=C1)C(F)(F)F)N1C=CN=C1 Triflumizole 68694-11-1|Triflumizole|(1E)-N-(4-Chloro-2-(trifluoromethyl)phenyl)-1-(1H-imidazol-1-yl)-2-propoxyethanimine|(1E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-imidazol-1-yl)-2-propoxyethan-1-imine|(E)-4-chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|[N(E)]-4-chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine|1-(1-((4-Chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-1H-imidazole|1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-1H-imidazole|1H-Imidazole, 1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-|1H-Imidazole, 1-[1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-, (E)-|4-Chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|4-chloro-N-[(1E)-1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)aniline|614-708-8|Benzenamine, 4- chloro- N- [1- (1H- imidazol- 1- yl) - 2- propoxyethylidene] - 2- (trifluoromethyl) - , [N(E) ] -|C|1135441-23-4|121280-28-2|124282-24-2|128395-88-0|136169-57-8|99387-89-0|99403-07-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032500
ERPathway2016 ERPathway2016_584 Triflumizole 68694-11-1 DTXSID2032500 A13 ER Pathway Model, Agonist Call Inactive Unitless CCCOCC(=N/C1=C(C=C(Cl)C=C1)C(F)(F)F)N1C=CN=C1 Triflumizole 68694-11-1|Triflumizole|(1E)-N-(4-Chloro-2-(trifluoromethyl)phenyl)-1-(1H-imidazol-1-yl)-2-propoxyethanimine|(1E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-imidazol-1-yl)-2-propoxyethan-1-imine|(E)-4-chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|[N(E)]-4-chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine|1-(1-((4-Chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-1H-imidazole|1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-1H-imidazole|1H-Imidazole, 1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-|1H-Imidazole, 1-[1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-, (E)-|4-Chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|4-chloro-N-[(1E)-1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)aniline|614-708-8|Benzenamine, 4- chloro- N- [1- (1H- imidazol- 1- yl) - 2- propoxyethylidene] - 2- (trifluoromethyl) - , [N(E) ] -|C|1135441-23-4|121280-28-2|124282-24-2|128395-88-0|136169-57-8|99387-89-0|99403-07-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032500
ERPathway2016 ERPathway2016_584 Triflumizole 68694-11-1 DTXSID2032500 A13 ER Pathway Model, Antagonist Call Inactive Unitless CCCOCC(=N/C1=C(C=C(Cl)C=C1)C(F)(F)F)N1C=CN=C1 Triflumizole 68694-11-1|Triflumizole|(1E)-N-(4-Chloro-2-(trifluoromethyl)phenyl)-1-(1H-imidazol-1-yl)-2-propoxyethanimine|(1E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-imidazol-1-yl)-2-propoxyethan-1-imine|(E)-4-chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|[N(E)]-4-chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine|1-(1-((4-Chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-1H-imidazole|1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-1H-imidazole|1H-Imidazole, 1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-|1H-Imidazole, 1-[1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-, (E)-|4-Chloro-alpha,alpha,alpha-trifluoro-N-(1-imidazol-1-yl-2-propoxyethylidene)-o-toluidine|4-chloro-N-[(1E)-1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)aniline|614-708-8|Benzenamine, 4- chloro- N- [1- (1H- imidazol- 1- yl) - 2- propoxyethylidene] - 2- (trifluoromethyl) - , [N(E) ] -|C|1135441-23-4|121280-28-2|124282-24-2|128395-88-0|136169-57-8|99387-89-0|99403-07-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2032500
ARPathway2016 ARPathway2016_905 Trifluralin 1582-09-8 DTXSID4021395 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Trifluralin 1582-09-8|Trifluralin|2,6-Dinitro-4-(trifluoromethyl)-N,N-dipropylaniline|2,6-Dinitro-4-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-6-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-N,N-di-n-propyl-alpha,alpha,alpha-trifluoro-p-toluidine|2,6-Dinitro-N,N-di-n-propyl-a,a,a-trifluoro-p-toluidine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzeneamine|2,6-Dinitro-N,N-dipropyl-4-trifluoromethylaniline|216-428-8|4-(Di-n-propylamino)-3,5-dinitro-1-(trifluoromethyl)benzene|4-(Di-n-propylamino)-3,5-dinitro-1-trifluoromethylbenzene|4-(Trifluoromethyl)-2,6-dinitro-N,N-dipropylaniline|4-Trifluoromethyl-2, 6-dinitro-N, N-dipropylaniline|Agreflan|Agriflan|Agriflan 24|alpha,alpha,alpha-trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine|Bayonet|Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Benzeneamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Biobarrier|Brassix|BRN 1893555|Caswell No. 889|Crisalin|Crisalina|Digermin|EC No|39300-53-3|52627-52-8|61373-95-3|71281-30-6|75635-23-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021395 https://doi.org/10.22427/NTP-DATA-DTXSID4021395
ARPathway2016 ARPathway2016_905 Trifluralin 1582-09-8 DTXSID4021395 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Trifluralin 1582-09-8|Trifluralin|2,6-Dinitro-4-(trifluoromethyl)-N,N-dipropylaniline|2,6-Dinitro-4-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-6-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-N,N-di-n-propyl-alpha,alpha,alpha-trifluoro-p-toluidine|2,6-Dinitro-N,N-di-n-propyl-a,a,a-trifluoro-p-toluidine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzeneamine|2,6-Dinitro-N,N-dipropyl-4-trifluoromethylaniline|216-428-8|4-(Di-n-propylamino)-3,5-dinitro-1-(trifluoromethyl)benzene|4-(Di-n-propylamino)-3,5-dinitro-1-trifluoromethylbenzene|4-(Trifluoromethyl)-2,6-dinitro-N,N-dipropylaniline|4-Trifluoromethyl-2, 6-dinitro-N, N-dipropylaniline|Agreflan|Agriflan|Agriflan 24|alpha,alpha,alpha-trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine|Bayonet|Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Benzeneamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Biobarrier|Brassix|BRN 1893555|Caswell No. 889|Crisalin|Crisalina|Digermin|EC No|39300-53-3|52627-52-8|61373-95-3|71281-30-6|75635-23-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021395 https://doi.org/10.22427/NTP-DATA-DTXSID4021395
ARPathway2016 ARPathway2016_905 Trifluralin 1582-09-8 DTXSID4021395 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Trifluralin 1582-09-8|Trifluralin|2,6-Dinitro-4-(trifluoromethyl)-N,N-dipropylaniline|2,6-Dinitro-4-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-6-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-N,N-di-n-propyl-alpha,alpha,alpha-trifluoro-p-toluidine|2,6-Dinitro-N,N-di-n-propyl-a,a,a-trifluoro-p-toluidine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzeneamine|2,6-Dinitro-N,N-dipropyl-4-trifluoromethylaniline|216-428-8|4-(Di-n-propylamino)-3,5-dinitro-1-(trifluoromethyl)benzene|4-(Di-n-propylamino)-3,5-dinitro-1-trifluoromethylbenzene|4-(Trifluoromethyl)-2,6-dinitro-N,N-dipropylaniline|4-Trifluoromethyl-2, 6-dinitro-N, N-dipropylaniline|Agreflan|Agriflan|Agriflan 24|alpha,alpha,alpha-trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine|Bayonet|Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Benzeneamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Biobarrier|Brassix|BRN 1893555|Caswell No. 889|Crisalin|Crisalina|Digermin|EC No|39300-53-3|52627-52-8|61373-95-3|71281-30-6|75635-23-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021395 https://doi.org/10.22427/NTP-DATA-DTXSID4021395
ARPathway2016 ARPathway2016_905 Trifluralin 1582-09-8 DTXSID4021395 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Trifluralin 1582-09-8|Trifluralin|2,6-Dinitro-4-(trifluoromethyl)-N,N-dipropylaniline|2,6-Dinitro-4-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-6-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-N,N-di-n-propyl-alpha,alpha,alpha-trifluoro-p-toluidine|2,6-Dinitro-N,N-di-n-propyl-a,a,a-trifluoro-p-toluidine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzeneamine|2,6-Dinitro-N,N-dipropyl-4-trifluoromethylaniline|216-428-8|4-(Di-n-propylamino)-3,5-dinitro-1-(trifluoromethyl)benzene|4-(Di-n-propylamino)-3,5-dinitro-1-trifluoromethylbenzene|4-(Trifluoromethyl)-2,6-dinitro-N,N-dipropylaniline|4-Trifluoromethyl-2, 6-dinitro-N, N-dipropylaniline|Agreflan|Agriflan|Agriflan 24|alpha,alpha,alpha-trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine|Bayonet|Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Benzeneamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Biobarrier|Brassix|BRN 1893555|Caswell No. 889|Crisalin|Crisalina|Digermin|EC No|39300-53-3|52627-52-8|61373-95-3|71281-30-6|75635-23-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021395 https://doi.org/10.22427/NTP-DATA-DTXSID4021395
ERPathway2016 ERPathway2016_302 Trifluralin 1582-09-8 DTXSID4021395 R8 ER Pathway Model, Antagonist AC50 30.7228581573973 uM CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Trifluralin 1582-09-8|Trifluralin|2,6-Dinitro-4-(trifluoromethyl)-N,N-dipropylaniline|2,6-Dinitro-4-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-6-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-N,N-di-n-propyl-alpha,alpha,alpha-trifluoro-p-toluidine|2,6-Dinitro-N,N-di-n-propyl-a,a,a-trifluoro-p-toluidine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzeneamine|2,6-Dinitro-N,N-dipropyl-4-trifluoromethylaniline|216-428-8|4-(Di-n-propylamino)-3,5-dinitro-1-(trifluoromethyl)benzene|4-(Di-n-propylamino)-3,5-dinitro-1-trifluoromethylbenzene|4-(Trifluoromethyl)-2,6-dinitro-N,N-dipropylaniline|4-Trifluoromethyl-2, 6-dinitro-N, N-dipropylaniline|Agreflan|Agriflan|Agriflan 24|alpha,alpha,alpha-trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine|Bayonet|Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Benzeneamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Biobarrier|Brassix|BRN 1893555|Caswell No. 889|Crisalin|Crisalina|Digermin|EC No|39300-53-3|52627-52-8|61373-95-3|71281-30-6|75635-23-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021395 https://doi.org/10.22427/NTP-DATA-DTXSID4021395
ERPathway2016 ERPathway2016_302 Trifluralin 1582-09-8 DTXSID4021395 R8 ER Pathway Model, Antagonist ACC 41.0194649452679 uM CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Trifluralin 1582-09-8|Trifluralin|2,6-Dinitro-4-(trifluoromethyl)-N,N-dipropylaniline|2,6-Dinitro-4-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-6-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-N,N-di-n-propyl-alpha,alpha,alpha-trifluoro-p-toluidine|2,6-Dinitro-N,N-di-n-propyl-a,a,a-trifluoro-p-toluidine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzeneamine|2,6-Dinitro-N,N-dipropyl-4-trifluoromethylaniline|216-428-8|4-(Di-n-propylamino)-3,5-dinitro-1-(trifluoromethyl)benzene|4-(Di-n-propylamino)-3,5-dinitro-1-trifluoromethylbenzene|4-(Trifluoromethyl)-2,6-dinitro-N,N-dipropylaniline|4-Trifluoromethyl-2, 6-dinitro-N, N-dipropylaniline|Agreflan|Agriflan|Agriflan 24|alpha,alpha,alpha-trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine|Bayonet|Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Benzeneamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Biobarrier|Brassix|BRN 1893555|Caswell No. 889|Crisalin|Crisalina|Digermin|EC No|39300-53-3|52627-52-8|61373-95-3|71281-30-6|75635-23-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021395 https://doi.org/10.22427/NTP-DATA-DTXSID4021395
ERPathway2016 ERPathway2016_302 Trifluralin 1582-09-8 DTXSID4021395 R8 ER Pathway Model, Agonist Model Score 0.0337 Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Trifluralin 1582-09-8|Trifluralin|2,6-Dinitro-4-(trifluoromethyl)-N,N-dipropylaniline|2,6-Dinitro-4-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-6-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-N,N-di-n-propyl-alpha,alpha,alpha-trifluoro-p-toluidine|2,6-Dinitro-N,N-di-n-propyl-a,a,a-trifluoro-p-toluidine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzeneamine|2,6-Dinitro-N,N-dipropyl-4-trifluoromethylaniline|216-428-8|4-(Di-n-propylamino)-3,5-dinitro-1-(trifluoromethyl)benzene|4-(Di-n-propylamino)-3,5-dinitro-1-trifluoromethylbenzene|4-(Trifluoromethyl)-2,6-dinitro-N,N-dipropylaniline|4-Trifluoromethyl-2, 6-dinitro-N, N-dipropylaniline|Agreflan|Agriflan|Agriflan 24|alpha,alpha,alpha-trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine|Bayonet|Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Benzeneamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Biobarrier|Brassix|BRN 1893555|Caswell No. 889|Crisalin|Crisalina|Digermin|EC No|39300-53-3|52627-52-8|61373-95-3|71281-30-6|75635-23-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021395 https://doi.org/10.22427/NTP-DATA-DTXSID4021395
ERPathway2016 ERPathway2016_302 Trifluralin 1582-09-8 DTXSID4021395 R8 ER Pathway Model, Antagonist Model Score 0 Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Trifluralin 1582-09-8|Trifluralin|2,6-Dinitro-4-(trifluoromethyl)-N,N-dipropylaniline|2,6-Dinitro-4-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-6-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-N,N-di-n-propyl-alpha,alpha,alpha-trifluoro-p-toluidine|2,6-Dinitro-N,N-di-n-propyl-a,a,a-trifluoro-p-toluidine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzeneamine|2,6-Dinitro-N,N-dipropyl-4-trifluoromethylaniline|216-428-8|4-(Di-n-propylamino)-3,5-dinitro-1-(trifluoromethyl)benzene|4-(Di-n-propylamino)-3,5-dinitro-1-trifluoromethylbenzene|4-(Trifluoromethyl)-2,6-dinitro-N,N-dipropylaniline|4-Trifluoromethyl-2, 6-dinitro-N, N-dipropylaniline|Agreflan|Agriflan|Agriflan 24|alpha,alpha,alpha-trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine|Bayonet|Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Benzeneamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Biobarrier|Brassix|BRN 1893555|Caswell No. 889|Crisalin|Crisalina|Digermin|EC No|39300-53-3|52627-52-8|61373-95-3|71281-30-6|75635-23-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021395 https://doi.org/10.22427/NTP-DATA-DTXSID4021395
ERPathway2016 ERPathway2016_302 Trifluralin 1582-09-8 DTXSID4021395 R8 ER Pathway Model, Agonist Call Inactive Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Trifluralin 1582-09-8|Trifluralin|2,6-Dinitro-4-(trifluoromethyl)-N,N-dipropylaniline|2,6-Dinitro-4-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-6-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-N,N-di-n-propyl-alpha,alpha,alpha-trifluoro-p-toluidine|2,6-Dinitro-N,N-di-n-propyl-a,a,a-trifluoro-p-toluidine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzeneamine|2,6-Dinitro-N,N-dipropyl-4-trifluoromethylaniline|216-428-8|4-(Di-n-propylamino)-3,5-dinitro-1-(trifluoromethyl)benzene|4-(Di-n-propylamino)-3,5-dinitro-1-trifluoromethylbenzene|4-(Trifluoromethyl)-2,6-dinitro-N,N-dipropylaniline|4-Trifluoromethyl-2, 6-dinitro-N, N-dipropylaniline|Agreflan|Agriflan|Agriflan 24|alpha,alpha,alpha-trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine|Bayonet|Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Benzeneamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Biobarrier|Brassix|BRN 1893555|Caswell No. 889|Crisalin|Crisalina|Digermin|EC No|39300-53-3|52627-52-8|61373-95-3|71281-30-6|75635-23-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021395 https://doi.org/10.22427/NTP-DATA-DTXSID4021395
ERPathway2016 ERPathway2016_302 Trifluralin 1582-09-8 DTXSID4021395 R8 ER Pathway Model, Antagonist Call Active Unitless CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Trifluralin 1582-09-8|Trifluralin|2,6-Dinitro-4-(trifluoromethyl)-N,N-dipropylaniline|2,6-Dinitro-4-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-6-trifluormethyl-N,N-dipropylanilin|2,6-Dinitro-N,N-di-n-propyl-alpha,alpha,alpha-trifluoro-p-toluidine|2,6-Dinitro-N,N-di-n-propyl-a,a,a-trifluoro-p-toluidine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzeneamine|2,6-Dinitro-N,N-dipropyl-4-trifluoromethylaniline|216-428-8|4-(Di-n-propylamino)-3,5-dinitro-1-(trifluoromethyl)benzene|4-(Di-n-propylamino)-3,5-dinitro-1-trifluoromethylbenzene|4-(Trifluoromethyl)-2,6-dinitro-N,N-dipropylaniline|4-Trifluoromethyl-2, 6-dinitro-N, N-dipropylaniline|Agreflan|Agriflan|Agriflan 24|alpha,alpha,alpha-trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine|Bayonet|Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Benzeneamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-|Biobarrier|Brassix|BRN 1893555|Caswell No. 889|Crisalin|Crisalina|Digermin|EC No|39300-53-3|52627-52-8|61373-95-3|71281-30-6|75635-23-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021395 https://doi.org/10.22427/NTP-DATA-DTXSID4021395
ARPathway2016 ARPathway2016_1170 Triisodecyl trimellitate 36631-30-8 DTXSID3047180 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Triisodecyl trimellitate 36631-30-8|Triisodecyl trimellitate|1,2,4-Benzenetricarboxylic acid, triisodecyl ester|EINECS 253-138-0|Tris(isodecyl) trimellitate|924890-06-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047180
ARPathway2016 ARPathway2016_1170 Triisodecyl trimellitate 36631-30-8 DTXSID3047180 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Triisodecyl trimellitate 36631-30-8|Triisodecyl trimellitate|1,2,4-Benzenetricarboxylic acid, triisodecyl ester|EINECS 253-138-0|Tris(isodecyl) trimellitate|924890-06-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047180
ARPathway2016 ARPathway2016_1170 Triisodecyl trimellitate 36631-30-8 DTXSID3047180 0.0 AR Pathway Model, Agonist Call Inactive Unitless Triisodecyl trimellitate 36631-30-8|Triisodecyl trimellitate|1,2,4-Benzenetricarboxylic acid, triisodecyl ester|EINECS 253-138-0|Tris(isodecyl) trimellitate|924890-06-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047180
ARPathway2016 ARPathway2016_1170 Triisodecyl trimellitate 36631-30-8 DTXSID3047180 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Triisodecyl trimellitate 36631-30-8|Triisodecyl trimellitate|1,2,4-Benzenetricarboxylic acid, triisodecyl ester|EINECS 253-138-0|Tris(isodecyl) trimellitate|924890-06-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047180
ERPathway2016 ERPathway2016_1468 Triisodecyl trimellitate 36631-30-8 DTXSID3047180 ER Pathway Model, Agonist Model Score 0 Unitless Triisodecyl trimellitate 36631-30-8|Triisodecyl trimellitate|1,2,4-Benzenetricarboxylic acid, triisodecyl ester|EINECS 253-138-0|Tris(isodecyl) trimellitate|924890-06-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047180
ERPathway2016 ERPathway2016_1468 Triisodecyl trimellitate 36631-30-8 DTXSID3047180 ER Pathway Model, Antagonist Model Score 0 Unitless Triisodecyl trimellitate 36631-30-8|Triisodecyl trimellitate|1,2,4-Benzenetricarboxylic acid, triisodecyl ester|EINECS 253-138-0|Tris(isodecyl) trimellitate|924890-06-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047180
ERPathway2016 ERPathway2016_1468 Triisodecyl trimellitate 36631-30-8 DTXSID3047180 ER Pathway Model, Agonist Call Inactive Unitless Triisodecyl trimellitate 36631-30-8|Triisodecyl trimellitate|1,2,4-Benzenetricarboxylic acid, triisodecyl ester|EINECS 253-138-0|Tris(isodecyl) trimellitate|924890-06-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047180
ERPathway2016 ERPathway2016_1468 Triisodecyl trimellitate 36631-30-8 DTXSID3047180 ER Pathway Model, Antagonist Call Inactive Unitless Triisodecyl trimellitate 36631-30-8|Triisodecyl trimellitate|1,2,4-Benzenetricarboxylic acid, triisodecyl ester|EINECS 253-138-0|Tris(isodecyl) trimellitate|924890-06-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID3047180
ARPathway2016 ARPathway2016_1296 Triisononyl trimellitate 53894-23-8 DTXSID5028033 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Triisononyl trimellitate 53894-23-8|Triisononyl trimellitate|1,2,4-Benzenetricarboxylic acid, triisononyl ester|EINECS 258-847-9|131918-42-8|154213-92-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5028033
ARPathway2016 ARPathway2016_1296 Triisononyl trimellitate 53894-23-8 DTXSID5028033 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Triisononyl trimellitate 53894-23-8|Triisononyl trimellitate|1,2,4-Benzenetricarboxylic acid, triisononyl ester|EINECS 258-847-9|131918-42-8|154213-92-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5028033
ARPathway2016 ARPathway2016_1296 Triisononyl trimellitate 53894-23-8 DTXSID5028033 0.0 AR Pathway Model, Agonist Call Inactive Unitless Triisononyl trimellitate 53894-23-8|Triisononyl trimellitate|1,2,4-Benzenetricarboxylic acid, triisononyl ester|EINECS 258-847-9|131918-42-8|154213-92-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5028033
ARPathway2016 ARPathway2016_1296 Triisononyl trimellitate 53894-23-8 DTXSID5028033 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Triisononyl trimellitate 53894-23-8|Triisononyl trimellitate|1,2,4-Benzenetricarboxylic acid, triisononyl ester|EINECS 258-847-9|131918-42-8|154213-92-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5028033
ERPathway2016 ERPathway2016_1520 Triisononyl trimellitate 53894-23-8 DTXSID5028033 ER Pathway Model, Agonist Model Score 0 Unitless Triisononyl trimellitate 53894-23-8|Triisononyl trimellitate|1,2,4-Benzenetricarboxylic acid, triisononyl ester|EINECS 258-847-9|131918-42-8|154213-92-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5028033
ERPathway2016 ERPathway2016_1520 Triisononyl trimellitate 53894-23-8 DTXSID5028033 ER Pathway Model, Antagonist Model Score 0 Unitless Triisononyl trimellitate 53894-23-8|Triisononyl trimellitate|1,2,4-Benzenetricarboxylic acid, triisononyl ester|EINECS 258-847-9|131918-42-8|154213-92-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5028033
ERPathway2016 ERPathway2016_1520 Triisononyl trimellitate 53894-23-8 DTXSID5028033 ER Pathway Model, Agonist Call Inactive Unitless Triisononyl trimellitate 53894-23-8|Triisononyl trimellitate|1,2,4-Benzenetricarboxylic acid, triisononyl ester|EINECS 258-847-9|131918-42-8|154213-92-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5028033
ERPathway2016 ERPathway2016_1520 Triisononyl trimellitate 53894-23-8 DTXSID5028033 ER Pathway Model, Antagonist Call Inactive Unitless Triisononyl trimellitate 53894-23-8|Triisononyl trimellitate|1,2,4-Benzenetricarboxylic acid, triisononyl ester|EINECS 258-847-9|131918-42-8|154213-92-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5028033
ARPathway2016 ARPathway2016_695 Triisopropanolamine 122-20-3 DTXSID5021415 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(O)CN(CC(C)O)CC(C)O Triisopropanolamine 122-20-3|Triisopropanolamine|1,1',1''-Nitrilotri-2-propanol|1,1',1''-Nitrilotripropan-2-ol|1,1',1''-nitrilotripropane-2-ol|1,1',1''-Nitrilotris-2-propanol|1,1',1''-Nitrilotris(2-propanol)|2-Propanol, 1,1',1''-nitrilotri-|2-Propanol, 1,1',1''-nitrilotris-|2-Propanol, 1,1',1''-nitrolotris-|3,3',3"-Nitrilotri(2-propanol)|4-04-00-01680|BRN 1071570|Caswell No. 891|EINECS 204-528-4|EPA Pesticide Chemical Code 004209|NSC 4010|Tri-2-propanolamine|Tri-iso-propanolamine|TRIS-(2-HYDROXYPROPYL)-AMIN|Tris(2-hydroxy-1-propyl)amine|Tris(2-hydroxypropyl)amine|Tris(2-propanol)amine|UNII-W9EN9DLM98 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021415 https://doi.org/10.22427/NTP-DATA-DTXSID5021415
ARPathway2016 ARPathway2016_695 Triisopropanolamine 122-20-3 DTXSID5021415 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(O)CN(CC(C)O)CC(C)O Triisopropanolamine 122-20-3|Triisopropanolamine|1,1',1''-Nitrilotri-2-propanol|1,1',1''-Nitrilotripropan-2-ol|1,1',1''-nitrilotripropane-2-ol|1,1',1''-Nitrilotris-2-propanol|1,1',1''-Nitrilotris(2-propanol)|2-Propanol, 1,1',1''-nitrilotri-|2-Propanol, 1,1',1''-nitrilotris-|2-Propanol, 1,1',1''-nitrolotris-|3,3',3"-Nitrilotri(2-propanol)|4-04-00-01680|BRN 1071570|Caswell No. 891|EINECS 204-528-4|EPA Pesticide Chemical Code 004209|NSC 4010|Tri-2-propanolamine|Tri-iso-propanolamine|TRIS-(2-HYDROXYPROPYL)-AMIN|Tris(2-hydroxy-1-propyl)amine|Tris(2-hydroxypropyl)amine|Tris(2-propanol)amine|UNII-W9EN9DLM98 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021415 https://doi.org/10.22427/NTP-DATA-DTXSID5021415
ARPathway2016 ARPathway2016_695 Triisopropanolamine 122-20-3 DTXSID5021415 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(O)CN(CC(C)O)CC(C)O Triisopropanolamine 122-20-3|Triisopropanolamine|1,1',1''-Nitrilotri-2-propanol|1,1',1''-Nitrilotripropan-2-ol|1,1',1''-nitrilotripropane-2-ol|1,1',1''-Nitrilotris-2-propanol|1,1',1''-Nitrilotris(2-propanol)|2-Propanol, 1,1',1''-nitrilotri-|2-Propanol, 1,1',1''-nitrilotris-|2-Propanol, 1,1',1''-nitrolotris-|3,3',3"-Nitrilotri(2-propanol)|4-04-00-01680|BRN 1071570|Caswell No. 891|EINECS 204-528-4|EPA Pesticide Chemical Code 004209|NSC 4010|Tri-2-propanolamine|Tri-iso-propanolamine|TRIS-(2-HYDROXYPROPYL)-AMIN|Tris(2-hydroxy-1-propyl)amine|Tris(2-hydroxypropyl)amine|Tris(2-propanol)amine|UNII-W9EN9DLM98 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021415 https://doi.org/10.22427/NTP-DATA-DTXSID5021415
ARPathway2016 ARPathway2016_695 Triisopropanolamine 122-20-3 DTXSID5021415 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(O)CN(CC(C)O)CC(C)O Triisopropanolamine 122-20-3|Triisopropanolamine|1,1',1''-Nitrilotri-2-propanol|1,1',1''-Nitrilotripropan-2-ol|1,1',1''-nitrilotripropane-2-ol|1,1',1''-Nitrilotris-2-propanol|1,1',1''-Nitrilotris(2-propanol)|2-Propanol, 1,1',1''-nitrilotri-|2-Propanol, 1,1',1''-nitrilotris-|2-Propanol, 1,1',1''-nitrolotris-|3,3',3"-Nitrilotri(2-propanol)|4-04-00-01680|BRN 1071570|Caswell No. 891|EINECS 204-528-4|EPA Pesticide Chemical Code 004209|NSC 4010|Tri-2-propanolamine|Tri-iso-propanolamine|TRIS-(2-HYDROXYPROPYL)-AMIN|Tris(2-hydroxy-1-propyl)amine|Tris(2-hydroxypropyl)amine|Tris(2-propanol)amine|UNII-W9EN9DLM98 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021415 https://doi.org/10.22427/NTP-DATA-DTXSID5021415
ERPathway2016 ERPathway2016_1221 Triisopropanolamine 122-20-3 DTXSID5021415 ER Pathway Model, Agonist Model Score 0 Unitless CC(O)CN(CC(C)O)CC(C)O Triisopropanolamine 122-20-3|Triisopropanolamine|1,1',1''-Nitrilotri-2-propanol|1,1',1''-Nitrilotripropan-2-ol|1,1',1''-nitrilotripropane-2-ol|1,1',1''-Nitrilotris-2-propanol|1,1',1''-Nitrilotris(2-propanol)|2-Propanol, 1,1',1''-nitrilotri-|2-Propanol, 1,1',1''-nitrilotris-|2-Propanol, 1,1',1''-nitrolotris-|3,3',3"-Nitrilotri(2-propanol)|4-04-00-01680|BRN 1071570|Caswell No. 891|EINECS 204-528-4|EPA Pesticide Chemical Code 004209|NSC 4010|Tri-2-propanolamine|Tri-iso-propanolamine|TRIS-(2-HYDROXYPROPYL)-AMIN|Tris(2-hydroxy-1-propyl)amine|Tris(2-hydroxypropyl)amine|Tris(2-propanol)amine|UNII-W9EN9DLM98 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021415 https://doi.org/10.22427/NTP-DATA-DTXSID5021415
ERPathway2016 ERPathway2016_1221 Triisopropanolamine 122-20-3 DTXSID5021415 ER Pathway Model, Antagonist Model Score 0 Unitless CC(O)CN(CC(C)O)CC(C)O Triisopropanolamine 122-20-3|Triisopropanolamine|1,1',1''-Nitrilotri-2-propanol|1,1',1''-Nitrilotripropan-2-ol|1,1',1''-nitrilotripropane-2-ol|1,1',1''-Nitrilotris-2-propanol|1,1',1''-Nitrilotris(2-propanol)|2-Propanol, 1,1',1''-nitrilotri-|2-Propanol, 1,1',1''-nitrilotris-|2-Propanol, 1,1',1''-nitrolotris-|3,3',3"-Nitrilotri(2-propanol)|4-04-00-01680|BRN 1071570|Caswell No. 891|EINECS 204-528-4|EPA Pesticide Chemical Code 004209|NSC 4010|Tri-2-propanolamine|Tri-iso-propanolamine|TRIS-(2-HYDROXYPROPYL)-AMIN|Tris(2-hydroxy-1-propyl)amine|Tris(2-hydroxypropyl)amine|Tris(2-propanol)amine|UNII-W9EN9DLM98 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021415 https://doi.org/10.22427/NTP-DATA-DTXSID5021415
ERPathway2016 ERPathway2016_1221 Triisopropanolamine 122-20-3 DTXSID5021415 ER Pathway Model, Agonist Call Inactive Unitless CC(O)CN(CC(C)O)CC(C)O Triisopropanolamine 122-20-3|Triisopropanolamine|1,1',1''-Nitrilotri-2-propanol|1,1',1''-Nitrilotripropan-2-ol|1,1',1''-nitrilotripropane-2-ol|1,1',1''-Nitrilotris-2-propanol|1,1',1''-Nitrilotris(2-propanol)|2-Propanol, 1,1',1''-nitrilotri-|2-Propanol, 1,1',1''-nitrilotris-|2-Propanol, 1,1',1''-nitrolotris-|3,3',3"-Nitrilotri(2-propanol)|4-04-00-01680|BRN 1071570|Caswell No. 891|EINECS 204-528-4|EPA Pesticide Chemical Code 004209|NSC 4010|Tri-2-propanolamine|Tri-iso-propanolamine|TRIS-(2-HYDROXYPROPYL)-AMIN|Tris(2-hydroxy-1-propyl)amine|Tris(2-hydroxypropyl)amine|Tris(2-propanol)amine|UNII-W9EN9DLM98 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021415 https://doi.org/10.22427/NTP-DATA-DTXSID5021415
ERPathway2016 ERPathway2016_1221 Triisopropanolamine 122-20-3 DTXSID5021415 ER Pathway Model, Antagonist Call Inactive Unitless CC(O)CN(CC(C)O)CC(C)O Triisopropanolamine 122-20-3|Triisopropanolamine|1,1',1''-Nitrilotri-2-propanol|1,1',1''-Nitrilotripropan-2-ol|1,1',1''-nitrilotripropane-2-ol|1,1',1''-Nitrilotris-2-propanol|1,1',1''-Nitrilotris(2-propanol)|2-Propanol, 1,1',1''-nitrilotri-|2-Propanol, 1,1',1''-nitrilotris-|2-Propanol, 1,1',1''-nitrolotris-|3,3',3"-Nitrilotri(2-propanol)|4-04-00-01680|BRN 1071570|Caswell No. 891|EINECS 204-528-4|EPA Pesticide Chemical Code 004209|NSC 4010|Tri-2-propanolamine|Tri-iso-propanolamine|TRIS-(2-HYDROXYPROPYL)-AMIN|Tris(2-hydroxy-1-propyl)amine|Tris(2-hydroxypropyl)amine|Tris(2-propanol)amine|UNII-W9EN9DLM98 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021415 https://doi.org/10.22427/NTP-DATA-DTXSID5021415
ARPathway2016 ARPathway2016_1316 Trimellitic anhydride 552-30-7 DTXSID7026235 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC=C2C(=O)OC(=O)C2=C1 Trimellitic anhydride 552-30-7|Trimellitic anhydride|1,2-anhidrido del acido benceno-1,2,4-tricarboxilico|1,2-anhydride de l'acide benzene-1,2,4-tricarboxylique|1,2,4-Benzenetricarboxylic acid 1,2-anhydride|1,2,4-Benzenetricarboxylic acid anhydride|1,2,4-Benzenetricarboxylic acid, anhydride|1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride|1,2,4-Benzenetricarboxylic anhydride|1,3-Dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid|1,3-Dioxo-5-phthalancarboxylic acid|4-Carboxyphthalic anhydride|5-18-08-00562|5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-|5-Phthalanacarboxylic acid, 1,3-dioxo-|Anhydride-ethomid ht polymer|Anhydrotrimellic acid|Anhydrotrimellitic acid|benzene-1,2,4-tricarboxylic acid 1,2-anhydride|Benzene-1,2,4-tricarboxylic-1,2-anhydride|Benzene-1,3,4-tricarboxylic anhydride|BENZENE, 1,2,4-TRICARBOXYLIC ACID, 1,2-ANHYDRIDE|Benzol-1,2,4-tricarbonsaure-1,2-anhydrid|BRN 0009394|Diphenylmethane-4,4'-diisocyanate-trimellic anhydride-ethomid HT polymer|EINECS 209-008-0|NCI-C56633|NSC 60252|TMA|TMAN|Trimellic acid 1,2-anhydride|Trimellic acid a|28605-64-3|68864-89-1|70425-46-6|928770-37-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026235 https://doi.org/10.22427/NTP-DATA-DTXSID7026235
ARPathway2016 ARPathway2016_1316 Trimellitic anhydride 552-30-7 DTXSID7026235 0.0 AR Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC=C2C(=O)OC(=O)C2=C1 Trimellitic anhydride 552-30-7|Trimellitic anhydride|1,2-anhidrido del acido benceno-1,2,4-tricarboxilico|1,2-anhydride de l'acide benzene-1,2,4-tricarboxylique|1,2,4-Benzenetricarboxylic acid 1,2-anhydride|1,2,4-Benzenetricarboxylic acid anhydride|1,2,4-Benzenetricarboxylic acid, anhydride|1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride|1,2,4-Benzenetricarboxylic anhydride|1,3-Dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid|1,3-Dioxo-5-phthalancarboxylic acid|4-Carboxyphthalic anhydride|5-18-08-00562|5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-|5-Phthalanacarboxylic acid, 1,3-dioxo-|Anhydride-ethomid ht polymer|Anhydrotrimellic acid|Anhydrotrimellitic acid|benzene-1,2,4-tricarboxylic acid 1,2-anhydride|Benzene-1,2,4-tricarboxylic-1,2-anhydride|Benzene-1,3,4-tricarboxylic anhydride|BENZENE, 1,2,4-TRICARBOXYLIC ACID, 1,2-ANHYDRIDE|Benzol-1,2,4-tricarbonsaure-1,2-anhydrid|BRN 0009394|Diphenylmethane-4,4'-diisocyanate-trimellic anhydride-ethomid HT polymer|EINECS 209-008-0|NCI-C56633|NSC 60252|TMA|TMAN|Trimellic acid 1,2-anhydride|Trimellic acid a|28605-64-3|68864-89-1|70425-46-6|928770-37-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026235 https://doi.org/10.22427/NTP-DATA-DTXSID7026235
ARPathway2016 ARPathway2016_1316 Trimellitic anhydride 552-30-7 DTXSID7026235 0.0 AR Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC=C2C(=O)OC(=O)C2=C1 Trimellitic anhydride 552-30-7|Trimellitic anhydride|1,2-anhidrido del acido benceno-1,2,4-tricarboxilico|1,2-anhydride de l'acide benzene-1,2,4-tricarboxylique|1,2,4-Benzenetricarboxylic acid 1,2-anhydride|1,2,4-Benzenetricarboxylic acid anhydride|1,2,4-Benzenetricarboxylic acid, anhydride|1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride|1,2,4-Benzenetricarboxylic anhydride|1,3-Dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid|1,3-Dioxo-5-phthalancarboxylic acid|4-Carboxyphthalic anhydride|5-18-08-00562|5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-|5-Phthalanacarboxylic acid, 1,3-dioxo-|Anhydride-ethomid ht polymer|Anhydrotrimellic acid|Anhydrotrimellitic acid|benzene-1,2,4-tricarboxylic acid 1,2-anhydride|Benzene-1,2,4-tricarboxylic-1,2-anhydride|Benzene-1,3,4-tricarboxylic anhydride|BENZENE, 1,2,4-TRICARBOXYLIC ACID, 1,2-ANHYDRIDE|Benzol-1,2,4-tricarbonsaure-1,2-anhydrid|BRN 0009394|Diphenylmethane-4,4'-diisocyanate-trimellic anhydride-ethomid HT polymer|EINECS 209-008-0|NCI-C56633|NSC 60252|TMA|TMAN|Trimellic acid 1,2-anhydride|Trimellic acid a|28605-64-3|68864-89-1|70425-46-6|928770-37-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026235 https://doi.org/10.22427/NTP-DATA-DTXSID7026235
ARPathway2016 ARPathway2016_1316 Trimellitic anhydride 552-30-7 DTXSID7026235 0.0 AR Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC=C2C(=O)OC(=O)C2=C1 Trimellitic anhydride 552-30-7|Trimellitic anhydride|1,2-anhidrido del acido benceno-1,2,4-tricarboxilico|1,2-anhydride de l'acide benzene-1,2,4-tricarboxylique|1,2,4-Benzenetricarboxylic acid 1,2-anhydride|1,2,4-Benzenetricarboxylic acid anhydride|1,2,4-Benzenetricarboxylic acid, anhydride|1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride|1,2,4-Benzenetricarboxylic anhydride|1,3-Dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid|1,3-Dioxo-5-phthalancarboxylic acid|4-Carboxyphthalic anhydride|5-18-08-00562|5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-|5-Phthalanacarboxylic acid, 1,3-dioxo-|Anhydride-ethomid ht polymer|Anhydrotrimellic acid|Anhydrotrimellitic acid|benzene-1,2,4-tricarboxylic acid 1,2-anhydride|Benzene-1,2,4-tricarboxylic-1,2-anhydride|Benzene-1,3,4-tricarboxylic anhydride|BENZENE, 1,2,4-TRICARBOXYLIC ACID, 1,2-ANHYDRIDE|Benzol-1,2,4-tricarbonsaure-1,2-anhydrid|BRN 0009394|Diphenylmethane-4,4'-diisocyanate-trimellic anhydride-ethomid HT polymer|EINECS 209-008-0|NCI-C56633|NSC 60252|TMA|TMAN|Trimellic acid 1,2-anhydride|Trimellic acid a|28605-64-3|68864-89-1|70425-46-6|928770-37-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026235 https://doi.org/10.22427/NTP-DATA-DTXSID7026235
ERPathway2016 ERPathway2016_697 Trimellitic anhydride 552-30-7 DTXSID7026235 ER Pathway Model, Agonist Model Score 0 Unitless OC(=O)C1=CC=C2C(=O)OC(=O)C2=C1 Trimellitic anhydride 552-30-7|Trimellitic anhydride|1,2-anhidrido del acido benceno-1,2,4-tricarboxilico|1,2-anhydride de l'acide benzene-1,2,4-tricarboxylique|1,2,4-Benzenetricarboxylic acid 1,2-anhydride|1,2,4-Benzenetricarboxylic acid anhydride|1,2,4-Benzenetricarboxylic acid, anhydride|1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride|1,2,4-Benzenetricarboxylic anhydride|1,3-Dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid|1,3-Dioxo-5-phthalancarboxylic acid|4-Carboxyphthalic anhydride|5-18-08-00562|5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-|5-Phthalanacarboxylic acid, 1,3-dioxo-|Anhydride-ethomid ht polymer|Anhydrotrimellic acid|Anhydrotrimellitic acid|benzene-1,2,4-tricarboxylic acid 1,2-anhydride|Benzene-1,2,4-tricarboxylic-1,2-anhydride|Benzene-1,3,4-tricarboxylic anhydride|BENZENE, 1,2,4-TRICARBOXYLIC ACID, 1,2-ANHYDRIDE|Benzol-1,2,4-tricarbonsaure-1,2-anhydrid|BRN 0009394|Diphenylmethane-4,4'-diisocyanate-trimellic anhydride-ethomid HT polymer|EINECS 209-008-0|NCI-C56633|NSC 60252|TMA|TMAN|Trimellic acid 1,2-anhydride|Trimellic acid a|28605-64-3|68864-89-1|70425-46-6|928770-37-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026235 https://doi.org/10.22427/NTP-DATA-DTXSID7026235
ERPathway2016 ERPathway2016_697 Trimellitic anhydride 552-30-7 DTXSID7026235 ER Pathway Model, Antagonist Model Score 0 Unitless OC(=O)C1=CC=C2C(=O)OC(=O)C2=C1 Trimellitic anhydride 552-30-7|Trimellitic anhydride|1,2-anhidrido del acido benceno-1,2,4-tricarboxilico|1,2-anhydride de l'acide benzene-1,2,4-tricarboxylique|1,2,4-Benzenetricarboxylic acid 1,2-anhydride|1,2,4-Benzenetricarboxylic acid anhydride|1,2,4-Benzenetricarboxylic acid, anhydride|1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride|1,2,4-Benzenetricarboxylic anhydride|1,3-Dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid|1,3-Dioxo-5-phthalancarboxylic acid|4-Carboxyphthalic anhydride|5-18-08-00562|5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-|5-Phthalanacarboxylic acid, 1,3-dioxo-|Anhydride-ethomid ht polymer|Anhydrotrimellic acid|Anhydrotrimellitic acid|benzene-1,2,4-tricarboxylic acid 1,2-anhydride|Benzene-1,2,4-tricarboxylic-1,2-anhydride|Benzene-1,3,4-tricarboxylic anhydride|BENZENE, 1,2,4-TRICARBOXYLIC ACID, 1,2-ANHYDRIDE|Benzol-1,2,4-tricarbonsaure-1,2-anhydrid|BRN 0009394|Diphenylmethane-4,4'-diisocyanate-trimellic anhydride-ethomid HT polymer|EINECS 209-008-0|NCI-C56633|NSC 60252|TMA|TMAN|Trimellic acid 1,2-anhydride|Trimellic acid a|28605-64-3|68864-89-1|70425-46-6|928770-37-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026235 https://doi.org/10.22427/NTP-DATA-DTXSID7026235
ERPathway2016 ERPathway2016_697 Trimellitic anhydride 552-30-7 DTXSID7026235 ER Pathway Model, Agonist Call Inactive Unitless OC(=O)C1=CC=C2C(=O)OC(=O)C2=C1 Trimellitic anhydride 552-30-7|Trimellitic anhydride|1,2-anhidrido del acido benceno-1,2,4-tricarboxilico|1,2-anhydride de l'acide benzene-1,2,4-tricarboxylique|1,2,4-Benzenetricarboxylic acid 1,2-anhydride|1,2,4-Benzenetricarboxylic acid anhydride|1,2,4-Benzenetricarboxylic acid, anhydride|1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride|1,2,4-Benzenetricarboxylic anhydride|1,3-Dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid|1,3-Dioxo-5-phthalancarboxylic acid|4-Carboxyphthalic anhydride|5-18-08-00562|5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-|5-Phthalanacarboxylic acid, 1,3-dioxo-|Anhydride-ethomid ht polymer|Anhydrotrimellic acid|Anhydrotrimellitic acid|benzene-1,2,4-tricarboxylic acid 1,2-anhydride|Benzene-1,2,4-tricarboxylic-1,2-anhydride|Benzene-1,3,4-tricarboxylic anhydride|BENZENE, 1,2,4-TRICARBOXYLIC ACID, 1,2-ANHYDRIDE|Benzol-1,2,4-tricarbonsaure-1,2-anhydrid|BRN 0009394|Diphenylmethane-4,4'-diisocyanate-trimellic anhydride-ethomid HT polymer|EINECS 209-008-0|NCI-C56633|NSC 60252|TMA|TMAN|Trimellic acid 1,2-anhydride|Trimellic acid a|28605-64-3|68864-89-1|70425-46-6|928770-37-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026235 https://doi.org/10.22427/NTP-DATA-DTXSID7026235
ERPathway2016 ERPathway2016_697 Trimellitic anhydride 552-30-7 DTXSID7026235 ER Pathway Model, Antagonist Call Inactive Unitless OC(=O)C1=CC=C2C(=O)OC(=O)C2=C1 Trimellitic anhydride 552-30-7|Trimellitic anhydride|1,2-anhidrido del acido benceno-1,2,4-tricarboxilico|1,2-anhydride de l'acide benzene-1,2,4-tricarboxylique|1,2,4-Benzenetricarboxylic acid 1,2-anhydride|1,2,4-Benzenetricarboxylic acid anhydride|1,2,4-Benzenetricarboxylic acid, anhydride|1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride|1,2,4-Benzenetricarboxylic anhydride|1,3-Dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid|1,3-Dioxo-5-phthalancarboxylic acid|4-Carboxyphthalic anhydride|5-18-08-00562|5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-|5-Phthalanacarboxylic acid, 1,3-dioxo-|Anhydride-ethomid ht polymer|Anhydrotrimellic acid|Anhydrotrimellitic acid|benzene-1,2,4-tricarboxylic acid 1,2-anhydride|Benzene-1,2,4-tricarboxylic-1,2-anhydride|Benzene-1,3,4-tricarboxylic anhydride|BENZENE, 1,2,4-TRICARBOXYLIC ACID, 1,2-ANHYDRIDE|Benzol-1,2,4-tricarbonsaure-1,2-anhydrid|BRN 0009394|Diphenylmethane-4,4'-diisocyanate-trimellic anhydride-ethomid HT polymer|EINECS 209-008-0|NCI-C56633|NSC 60252|TMA|TMAN|Trimellic acid 1,2-anhydride|Trimellic acid a|28605-64-3|68864-89-1|70425-46-6|928770-37-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026235 https://doi.org/10.22427/NTP-DATA-DTXSID7026235
ARPathway2016 ARPathway2016_1123 Trimethoxyphenylsilane 2996-92-1 DTXSID5040700 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CO[Si](OC)(OC)C1=CC=CC=C1 Trimethoxyphenylsilane 2996-92-1|Trimethoxyphenylsilane|(Trimethoxysilyl)benzene|Benzene, (trimethoxysilyl)-|EINECS 221-066-9|feniltrimetoxisilane|Huls/ Petrarch 04330|NSC 93925|PHENYLTRIMETHOXYSILANE|Silane, trimethoxyphenyl-|Trimethoxyphenylsilan|UNII-21TQE746S9|155684-43-8|46143-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5040700
ARPathway2016 ARPathway2016_1123 Trimethoxyphenylsilane 2996-92-1 DTXSID5040700 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CO[Si](OC)(OC)C1=CC=CC=C1 Trimethoxyphenylsilane 2996-92-1|Trimethoxyphenylsilane|(Trimethoxysilyl)benzene|Benzene, (trimethoxysilyl)-|EINECS 221-066-9|feniltrimetoxisilane|Huls/ Petrarch 04330|NSC 93925|PHENYLTRIMETHOXYSILANE|Silane, trimethoxyphenyl-|Trimethoxyphenylsilan|UNII-21TQE746S9|155684-43-8|46143-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5040700
ARPathway2016 ARPathway2016_1123 Trimethoxyphenylsilane 2996-92-1 DTXSID5040700 0.0 AR Pathway Model, Agonist Call Inactive Unitless CO[Si](OC)(OC)C1=CC=CC=C1 Trimethoxyphenylsilane 2996-92-1|Trimethoxyphenylsilane|(Trimethoxysilyl)benzene|Benzene, (trimethoxysilyl)-|EINECS 221-066-9|feniltrimetoxisilane|Huls/ Petrarch 04330|NSC 93925|PHENYLTRIMETHOXYSILANE|Silane, trimethoxyphenyl-|Trimethoxyphenylsilan|UNII-21TQE746S9|155684-43-8|46143-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5040700
ARPathway2016 ARPathway2016_1123 Trimethoxyphenylsilane 2996-92-1 DTXSID5040700 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CO[Si](OC)(OC)C1=CC=CC=C1 Trimethoxyphenylsilane 2996-92-1|Trimethoxyphenylsilane|(Trimethoxysilyl)benzene|Benzene, (trimethoxysilyl)-|EINECS 221-066-9|feniltrimetoxisilane|Huls/ Petrarch 04330|NSC 93925|PHENYLTRIMETHOXYSILANE|Silane, trimethoxyphenyl-|Trimethoxyphenylsilan|UNII-21TQE746S9|155684-43-8|46143-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5040700
ERPathway2016 ERPathway2016_1440 Trimethoxyphenylsilane 2996-92-1 DTXSID5040700 ER Pathway Model, Agonist Model Score 0 Unitless CO[Si](OC)(OC)C1=CC=CC=C1 Trimethoxyphenylsilane 2996-92-1|Trimethoxyphenylsilane|(Trimethoxysilyl)benzene|Benzene, (trimethoxysilyl)-|EINECS 221-066-9|feniltrimetoxisilane|Huls/ Petrarch 04330|NSC 93925|PHENYLTRIMETHOXYSILANE|Silane, trimethoxyphenyl-|Trimethoxyphenylsilan|UNII-21TQE746S9|155684-43-8|46143-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5040700
ERPathway2016 ERPathway2016_1440 Trimethoxyphenylsilane 2996-92-1 DTXSID5040700 ER Pathway Model, Antagonist Model Score 0 Unitless CO[Si](OC)(OC)C1=CC=CC=C1 Trimethoxyphenylsilane 2996-92-1|Trimethoxyphenylsilane|(Trimethoxysilyl)benzene|Benzene, (trimethoxysilyl)-|EINECS 221-066-9|feniltrimetoxisilane|Huls/ Petrarch 04330|NSC 93925|PHENYLTRIMETHOXYSILANE|Silane, trimethoxyphenyl-|Trimethoxyphenylsilan|UNII-21TQE746S9|155684-43-8|46143-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5040700
ERPathway2016 ERPathway2016_1440 Trimethoxyphenylsilane 2996-92-1 DTXSID5040700 ER Pathway Model, Agonist Call Inactive Unitless CO[Si](OC)(OC)C1=CC=CC=C1 Trimethoxyphenylsilane 2996-92-1|Trimethoxyphenylsilane|(Trimethoxysilyl)benzene|Benzene, (trimethoxysilyl)-|EINECS 221-066-9|feniltrimetoxisilane|Huls/ Petrarch 04330|NSC 93925|PHENYLTRIMETHOXYSILANE|Silane, trimethoxyphenyl-|Trimethoxyphenylsilan|UNII-21TQE746S9|155684-43-8|46143-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5040700
ERPathway2016 ERPathway2016_1440 Trimethoxyphenylsilane 2996-92-1 DTXSID5040700 ER Pathway Model, Antagonist Call Inactive Unitless CO[Si](OC)(OC)C1=CC=CC=C1 Trimethoxyphenylsilane 2996-92-1|Trimethoxyphenylsilane|(Trimethoxysilyl)benzene|Benzene, (trimethoxysilyl)-|EINECS 221-066-9|feniltrimetoxisilane|Huls/ Petrarch 04330|NSC 93925|PHENYLTRIMETHOXYSILANE|Silane, trimethoxyphenyl-|Trimethoxyphenylsilan|UNII-21TQE746S9|155684-43-8|46143-12-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5040700
ARPathway2016 ARPathway2016_481 Trimethoxypropylsilane 1067-25-0 DTXSID6042494 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCC[Si](OC)(OC)OC Trimethoxypropylsilane 1067-25-0|Trimethoxypropylsilane|EINECS 213-926-7|n-Propyltrimethoxysilane|Silane, trimethoxypropyl-|1039510-80-9|1247019-89-1|77030-43-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042494
ARPathway2016 ARPathway2016_481 Trimethoxypropylsilane 1067-25-0 DTXSID6042494 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCC[Si](OC)(OC)OC Trimethoxypropylsilane 1067-25-0|Trimethoxypropylsilane|EINECS 213-926-7|n-Propyltrimethoxysilane|Silane, trimethoxypropyl-|1039510-80-9|1247019-89-1|77030-43-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042494
ARPathway2016 ARPathway2016_481 Trimethoxypropylsilane 1067-25-0 DTXSID6042494 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCC[Si](OC)(OC)OC Trimethoxypropylsilane 1067-25-0|Trimethoxypropylsilane|EINECS 213-926-7|n-Propyltrimethoxysilane|Silane, trimethoxypropyl-|1039510-80-9|1247019-89-1|77030-43-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042494
ARPathway2016 ARPathway2016_481 Trimethoxypropylsilane 1067-25-0 DTXSID6042494 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCC[Si](OC)(OC)OC Trimethoxypropylsilane 1067-25-0|Trimethoxypropylsilane|EINECS 213-926-7|n-Propyltrimethoxysilane|Silane, trimethoxypropyl-|1039510-80-9|1247019-89-1|77030-43-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042494
ERPathway2016 ERPathway2016_1092 Trimethoxypropylsilane 1067-25-0 DTXSID6042494 ER Pathway Model, Agonist Model Score 0 Unitless CCC[Si](OC)(OC)OC Trimethoxypropylsilane 1067-25-0|Trimethoxypropylsilane|EINECS 213-926-7|n-Propyltrimethoxysilane|Silane, trimethoxypropyl-|1039510-80-9|1247019-89-1|77030-43-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042494
ERPathway2016 ERPathway2016_1092 Trimethoxypropylsilane 1067-25-0 DTXSID6042494 ER Pathway Model, Antagonist Model Score 0 Unitless CCC[Si](OC)(OC)OC Trimethoxypropylsilane 1067-25-0|Trimethoxypropylsilane|EINECS 213-926-7|n-Propyltrimethoxysilane|Silane, trimethoxypropyl-|1039510-80-9|1247019-89-1|77030-43-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042494
ERPathway2016 ERPathway2016_1092 Trimethoxypropylsilane 1067-25-0 DTXSID6042494 ER Pathway Model, Agonist Call Inactive Unitless CCC[Si](OC)(OC)OC Trimethoxypropylsilane 1067-25-0|Trimethoxypropylsilane|EINECS 213-926-7|n-Propyltrimethoxysilane|Silane, trimethoxypropyl-|1039510-80-9|1247019-89-1|77030-43-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042494
ERPathway2016 ERPathway2016_1092 Trimethoxypropylsilane 1067-25-0 DTXSID6042494 ER Pathway Model, Antagonist Call Inactive Unitless CCC[Si](OC)(OC)OC Trimethoxypropylsilane 1067-25-0|Trimethoxypropylsilane|EINECS 213-926-7|n-Propyltrimethoxysilane|Silane, trimethoxypropyl-|1039510-80-9|1247019-89-1|77030-43-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6042494
ARPathway2016 ARPathway2016_1257 Trimethyl orthophosphate 512-56-1 DTXSID1021403 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COP(=O)(OC)OC Trimethyl orthophosphate 512-56-1|Trimethyl orthophosphate|EINECS 208-144-8|fosfato de trimetilo|Methyl phosphate, (MeO)3PO|NCI-C03781|NSC 58985|O,O,O-Trimethyl phosphate|Phosphate de trimethyle|Phosphate, trimethyl-|Phosphoric acid trimethyl ester|Phosphoric acid, trimethyl ester|TMP|TMPA|TMPO|Trimethoxyphosphine oxide|Trimethyl orthophosphate|Trimethyl phosphate|Trimethylfosfat|Trimethylphosphat|UNII-Z1E45TMW1Z|91316-44-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021403 https://doi.org/10.22427/NTP-DATA-DTXSID1021403
ARPathway2016 ARPathway2016_1257 Trimethyl orthophosphate 512-56-1 DTXSID1021403 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COP(=O)(OC)OC Trimethyl orthophosphate 512-56-1|Trimethyl orthophosphate|EINECS 208-144-8|fosfato de trimetilo|Methyl phosphate, (MeO)3PO|NCI-C03781|NSC 58985|O,O,O-Trimethyl phosphate|Phosphate de trimethyle|Phosphate, trimethyl-|Phosphoric acid trimethyl ester|Phosphoric acid, trimethyl ester|TMP|TMPA|TMPO|Trimethoxyphosphine oxide|Trimethyl orthophosphate|Trimethyl phosphate|Trimethylfosfat|Trimethylphosphat|UNII-Z1E45TMW1Z|91316-44-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021403 https://doi.org/10.22427/NTP-DATA-DTXSID1021403
ARPathway2016 ARPathway2016_1257 Trimethyl orthophosphate 512-56-1 DTXSID1021403 0.0 AR Pathway Model, Agonist Call Inactive Unitless COP(=O)(OC)OC Trimethyl orthophosphate 512-56-1|Trimethyl orthophosphate|EINECS 208-144-8|fosfato de trimetilo|Methyl phosphate, (MeO)3PO|NCI-C03781|NSC 58985|O,O,O-Trimethyl phosphate|Phosphate de trimethyle|Phosphate, trimethyl-|Phosphoric acid trimethyl ester|Phosphoric acid, trimethyl ester|TMP|TMPA|TMPO|Trimethoxyphosphine oxide|Trimethyl orthophosphate|Trimethyl phosphate|Trimethylfosfat|Trimethylphosphat|UNII-Z1E45TMW1Z|91316-44-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021403 https://doi.org/10.22427/NTP-DATA-DTXSID1021403
ARPathway2016 ARPathway2016_1257 Trimethyl orthophosphate 512-56-1 DTXSID1021403 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COP(=O)(OC)OC Trimethyl orthophosphate 512-56-1|Trimethyl orthophosphate|EINECS 208-144-8|fosfato de trimetilo|Methyl phosphate, (MeO)3PO|NCI-C03781|NSC 58985|O,O,O-Trimethyl phosphate|Phosphate de trimethyle|Phosphate, trimethyl-|Phosphoric acid trimethyl ester|Phosphoric acid, trimethyl ester|TMP|TMPA|TMPO|Trimethoxyphosphine oxide|Trimethyl orthophosphate|Trimethyl phosphate|Trimethylfosfat|Trimethylphosphat|UNII-Z1E45TMW1Z|91316-44-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021403 https://doi.org/10.22427/NTP-DATA-DTXSID1021403
ERPathway2016 ERPathway2016_1503 Trimethyl orthophosphate 512-56-1 DTXSID1021403 ER Pathway Model, Agonist Model Score 0 Unitless COP(=O)(OC)OC Trimethyl orthophosphate 512-56-1|Trimethyl orthophosphate|EINECS 208-144-8|fosfato de trimetilo|Methyl phosphate, (MeO)3PO|NCI-C03781|NSC 58985|O,O,O-Trimethyl phosphate|Phosphate de trimethyle|Phosphate, trimethyl-|Phosphoric acid trimethyl ester|Phosphoric acid, trimethyl ester|TMP|TMPA|TMPO|Trimethoxyphosphine oxide|Trimethyl orthophosphate|Trimethyl phosphate|Trimethylfosfat|Trimethylphosphat|UNII-Z1E45TMW1Z|91316-44-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021403 https://doi.org/10.22427/NTP-DATA-DTXSID1021403
ERPathway2016 ERPathway2016_1503 Trimethyl orthophosphate 512-56-1 DTXSID1021403 ER Pathway Model, Antagonist Model Score 0 Unitless COP(=O)(OC)OC Trimethyl orthophosphate 512-56-1|Trimethyl orthophosphate|EINECS 208-144-8|fosfato de trimetilo|Methyl phosphate, (MeO)3PO|NCI-C03781|NSC 58985|O,O,O-Trimethyl phosphate|Phosphate de trimethyle|Phosphate, trimethyl-|Phosphoric acid trimethyl ester|Phosphoric acid, trimethyl ester|TMP|TMPA|TMPO|Trimethoxyphosphine oxide|Trimethyl orthophosphate|Trimethyl phosphate|Trimethylfosfat|Trimethylphosphat|UNII-Z1E45TMW1Z|91316-44-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021403 https://doi.org/10.22427/NTP-DATA-DTXSID1021403
ERPathway2016 ERPathway2016_1503 Trimethyl orthophosphate 512-56-1 DTXSID1021403 ER Pathway Model, Agonist Call Inactive Unitless COP(=O)(OC)OC Trimethyl orthophosphate 512-56-1|Trimethyl orthophosphate|EINECS 208-144-8|fosfato de trimetilo|Methyl phosphate, (MeO)3PO|NCI-C03781|NSC 58985|O,O,O-Trimethyl phosphate|Phosphate de trimethyle|Phosphate, trimethyl-|Phosphoric acid trimethyl ester|Phosphoric acid, trimethyl ester|TMP|TMPA|TMPO|Trimethoxyphosphine oxide|Trimethyl orthophosphate|Trimethyl phosphate|Trimethylfosfat|Trimethylphosphat|UNII-Z1E45TMW1Z|91316-44-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021403 https://doi.org/10.22427/NTP-DATA-DTXSID1021403
ERPathway2016 ERPathway2016_1503 Trimethyl orthophosphate 512-56-1 DTXSID1021403 ER Pathway Model, Antagonist Call Inactive Unitless COP(=O)(OC)OC Trimethyl orthophosphate 512-56-1|Trimethyl orthophosphate|EINECS 208-144-8|fosfato de trimetilo|Methyl phosphate, (MeO)3PO|NCI-C03781|NSC 58985|O,O,O-Trimethyl phosphate|Phosphate de trimethyle|Phosphate, trimethyl-|Phosphoric acid trimethyl ester|Phosphoric acid, trimethyl ester|TMP|TMPA|TMPO|Trimethoxyphosphine oxide|Trimethyl orthophosphate|Trimethyl phosphate|Trimethylfosfat|Trimethylphosphat|UNII-Z1E45TMW1Z|91316-44-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021403 https://doi.org/10.22427/NTP-DATA-DTXSID1021403
ARPathway2016 ARPathway2016_1527 Trimethylamine 75-50-3 DTXSID2026238 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless CN(C)C Trimethylamine 75-50-3|Trimethylamine|200-875-0|Dimethylmethaneamine|EC No.: 200-875-0|EINECS 200-875-0|FEMA No. 3241|Methanamine, N,N-dimethyl-|N-Trimethylamine|N,N-Dimethyl-Methanamine|N,N-Dimethylmethanamine|N,N,N-trimethylamine|N(CH3)3|NMe3|TMA|tridimethylaminomethane|TRIMETHYL AMINE|Trimethylamin|Trimethylamine anhydrous|trimetilamina, en disolucion acuosa|UN 1083|UN 1297|UNII-LHH7G8O305|4558-12-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026238 https://doi.org/10.22427/NTP-DATA-DTXSID2026238
ARPathway2016 ARPathway2016_1527 Trimethylamine 75-50-3 DTXSID2026238 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless CN(C)C Trimethylamine 75-50-3|Trimethylamine|200-875-0|Dimethylmethaneamine|EC No.: 200-875-0|EINECS 200-875-0|FEMA No. 3241|Methanamine, N,N-dimethyl-|N-Trimethylamine|N,N-Dimethyl-Methanamine|N,N-Dimethylmethanamine|N,N,N-trimethylamine|N(CH3)3|NMe3|TMA|tridimethylaminomethane|TRIMETHYL AMINE|Trimethylamin|Trimethylamine anhydrous|trimetilamina, en disolucion acuosa|UN 1083|UN 1297|UNII-LHH7G8O305|4558-12-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026238 https://doi.org/10.22427/NTP-DATA-DTXSID2026238
ARPathway2016 ARPathway2016_1527 Trimethylamine 75-50-3 DTXSID2026238 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless CN(C)C Trimethylamine 75-50-3|Trimethylamine|200-875-0|Dimethylmethaneamine|EC No.: 200-875-0|EINECS 200-875-0|FEMA No. 3241|Methanamine, N,N-dimethyl-|N-Trimethylamine|N,N-Dimethyl-Methanamine|N,N-Dimethylmethanamine|N,N,N-trimethylamine|N(CH3)3|NMe3|TMA|tridimethylaminomethane|TRIMETHYL AMINE|Trimethylamin|Trimethylamine anhydrous|trimetilamina, en disolucion acuosa|UN 1083|UN 1297|UNII-LHH7G8O305|4558-12-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026238 https://doi.org/10.22427/NTP-DATA-DTXSID2026238
ARPathway2016 ARPathway2016_1527 Trimethylamine 75-50-3 DTXSID2026238 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless CN(C)C Trimethylamine 75-50-3|Trimethylamine|200-875-0|Dimethylmethaneamine|EC No.: 200-875-0|EINECS 200-875-0|FEMA No. 3241|Methanamine, N,N-dimethyl-|N-Trimethylamine|N,N-Dimethyl-Methanamine|N,N-Dimethylmethanamine|N,N,N-trimethylamine|N(CH3)3|NMe3|TMA|tridimethylaminomethane|TRIMETHYL AMINE|Trimethylamin|Trimethylamine anhydrous|trimetilamina, en disolucion acuosa|UN 1083|UN 1297|UNII-LHH7G8O305|4558-12-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026238 https://doi.org/10.22427/NTP-DATA-DTXSID2026238
ERPathway2016 ERPathway2016_1636 Trimethylamine 75-50-3 DTXSID2026238 ER Pathway Model, Agonist Model Score 0 Unitless CN(C)C Trimethylamine 75-50-3|Trimethylamine|200-875-0|Dimethylmethaneamine|EC No.: 200-875-0|EINECS 200-875-0|FEMA No. 3241|Methanamine, N,N-dimethyl-|N-Trimethylamine|N,N-Dimethyl-Methanamine|N,N-Dimethylmethanamine|N,N,N-trimethylamine|N(CH3)3|NMe3|TMA|tridimethylaminomethane|TRIMETHYL AMINE|Trimethylamin|Trimethylamine anhydrous|trimetilamina, en disolucion acuosa|UN 1083|UN 1297|UNII-LHH7G8O305|4558-12-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026238 https://doi.org/10.22427/NTP-DATA-DTXSID2026238
ERPathway2016 ERPathway2016_1636 Trimethylamine 75-50-3 DTXSID2026238 ER Pathway Model, Antagonist Model Score 0 Unitless CN(C)C Trimethylamine 75-50-3|Trimethylamine|200-875-0|Dimethylmethaneamine|EC No.: 200-875-0|EINECS 200-875-0|FEMA No. 3241|Methanamine, N,N-dimethyl-|N-Trimethylamine|N,N-Dimethyl-Methanamine|N,N-Dimethylmethanamine|N,N,N-trimethylamine|N(CH3)3|NMe3|TMA|tridimethylaminomethane|TRIMETHYL AMINE|Trimethylamin|Trimethylamine anhydrous|trimetilamina, en disolucion acuosa|UN 1083|UN 1297|UNII-LHH7G8O305|4558-12-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026238 https://doi.org/10.22427/NTP-DATA-DTXSID2026238
ERPathway2016 ERPathway2016_1636 Trimethylamine 75-50-3 DTXSID2026238 ER Pathway Model, Agonist Call Inactive Unitless CN(C)C Trimethylamine 75-50-3|Trimethylamine|200-875-0|Dimethylmethaneamine|EC No.: 200-875-0|EINECS 200-875-0|FEMA No. 3241|Methanamine, N,N-dimethyl-|N-Trimethylamine|N,N-Dimethyl-Methanamine|N,N-Dimethylmethanamine|N,N,N-trimethylamine|N(CH3)3|NMe3|TMA|tridimethylaminomethane|TRIMETHYL AMINE|Trimethylamin|Trimethylamine anhydrous|trimetilamina, en disolucion acuosa|UN 1083|UN 1297|UNII-LHH7G8O305|4558-12-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026238 https://doi.org/10.22427/NTP-DATA-DTXSID2026238
ERPathway2016 ERPathway2016_1636 Trimethylamine 75-50-3 DTXSID2026238 ER Pathway Model, Antagonist Call Inactive Unitless CN(C)C Trimethylamine 75-50-3|Trimethylamine|200-875-0|Dimethylmethaneamine|EC No.: 200-875-0|EINECS 200-875-0|FEMA No. 3241|Methanamine, N,N-dimethyl-|N-Trimethylamine|N,N-Dimethyl-Methanamine|N,N-Dimethylmethanamine|N,N,N-trimethylamine|N(CH3)3|NMe3|TMA|tridimethylaminomethane|TRIMETHYL AMINE|Trimethylamin|Trimethylamine anhydrous|trimetilamina, en disolucion acuosa|UN 1083|UN 1297|UNII-LHH7G8O305|4558-12-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2026238 https://doi.org/10.22427/NTP-DATA-DTXSID2026238
ARPathway2016 ARPathway2016_1757 Trinexapac-ethyl 95266-40-3 DTXSID9032535 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1 Trinexapac-ethyl 95266-40-3|Trinexapac-ethyl|4-(Cyclopropyl-alpha-hydroxymethylene)-3,5-dioxocyclohexanecarboxylic acid ethyl ester|Cimectacarb|Cimecticarb|Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester|Ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate|Trinexapac-ethyl|UNII-Q89W563T9J https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032535
ARPathway2016 ARPathway2016_1757 Trinexapac-ethyl 95266-40-3 DTXSID9032535 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1 Trinexapac-ethyl 95266-40-3|Trinexapac-ethyl|4-(Cyclopropyl-alpha-hydroxymethylene)-3,5-dioxocyclohexanecarboxylic acid ethyl ester|Cimectacarb|Cimecticarb|Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester|Ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate|Trinexapac-ethyl|UNII-Q89W563T9J https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032535
ARPathway2016 ARPathway2016_1757 Trinexapac-ethyl 95266-40-3 DTXSID9032535 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1 Trinexapac-ethyl 95266-40-3|Trinexapac-ethyl|4-(Cyclopropyl-alpha-hydroxymethylene)-3,5-dioxocyclohexanecarboxylic acid ethyl ester|Cimectacarb|Cimecticarb|Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester|Ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate|Trinexapac-ethyl|UNII-Q89W563T9J https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032535
ARPathway2016 ARPathway2016_1757 Trinexapac-ethyl 95266-40-3 DTXSID9032535 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1 Trinexapac-ethyl 95266-40-3|Trinexapac-ethyl|4-(Cyclopropyl-alpha-hydroxymethylene)-3,5-dioxocyclohexanecarboxylic acid ethyl ester|Cimectacarb|Cimecticarb|Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester|Ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate|Trinexapac-ethyl|UNII-Q89W563T9J https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032535
ERPathway2016 ERPathway2016_1764 Trinexapac-ethyl 95266-40-3 DTXSID9032535 ER Pathway Model, Agonist Model Score 0 Unitless CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1 Trinexapac-ethyl 95266-40-3|Trinexapac-ethyl|4-(Cyclopropyl-alpha-hydroxymethylene)-3,5-dioxocyclohexanecarboxylic acid ethyl ester|Cimectacarb|Cimecticarb|Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester|Ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate|Trinexapac-ethyl|UNII-Q89W563T9J https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032535
ERPathway2016 ERPathway2016_1764 Trinexapac-ethyl 95266-40-3 DTXSID9032535 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1 Trinexapac-ethyl 95266-40-3|Trinexapac-ethyl|4-(Cyclopropyl-alpha-hydroxymethylene)-3,5-dioxocyclohexanecarboxylic acid ethyl ester|Cimectacarb|Cimecticarb|Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester|Ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate|Trinexapac-ethyl|UNII-Q89W563T9J https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032535
ERPathway2016 ERPathway2016_1764 Trinexapac-ethyl 95266-40-3 DTXSID9032535 ER Pathway Model, Agonist Call Inactive Unitless CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1 Trinexapac-ethyl 95266-40-3|Trinexapac-ethyl|4-(Cyclopropyl-alpha-hydroxymethylene)-3,5-dioxocyclohexanecarboxylic acid ethyl ester|Cimectacarb|Cimecticarb|Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester|Ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate|Trinexapac-ethyl|UNII-Q89W563T9J https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032535
ERPathway2016 ERPathway2016_1764 Trinexapac-ethyl 95266-40-3 DTXSID9032535 ER Pathway Model, Antagonist Call Inactive Unitless CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1 Trinexapac-ethyl 95266-40-3|Trinexapac-ethyl|4-(Cyclopropyl-alpha-hydroxymethylene)-3,5-dioxocyclohexanecarboxylic acid ethyl ester|Cimectacarb|Cimecticarb|Cyclohexanecarboxylic acid, 4-(cyclopropylhydroxymethylene)-3,5-dioxo-, ethyl ester|Ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate|Trinexapac-ethyl|UNII-Q89W563T9J https://comptox.epa.gov/dashboard/chemical/details/DTXSID9032535
ARPathway2016 ARPathway2016_1686 Tri-n-octyl trimellitate 89-04-3 DTXSID0047533 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCCC)C(=C1)C(=O)OCCCCCCCC Tri-n-octyl trimellitate 89-04-3|Tri-n-octyl trimellitate|1,2,4-Benzenetricarboxylic acid, 1,2,4-trioctyl ester|1,2,4-Benzenetricarboxylic acid, trioctyl ester|Adekacizer C 8|ADK Cizer C 8|Crodamol TOTM|Diplast TM 8|EINECS 201-877-4|Monocizer W 750|PX 338|Tri (n-octyl) Trimellitate|Tri-n-octyl trimellitate|Trimellitate N 08|Trimellitic acid, trioctyl ester|Trimex N 08|Trioctyl 1,2,4-benzenetricarboxylate|Trioctyl trimellitate|Tris(n-octyl) trimellitate|Tris(octyl) trimellitate|UNII-9GPJ04URH3|Vinycizer W 700|39373-94-9|76929-92-5|82249-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047533
ARPathway2016 ARPathway2016_1686 Tri-n-octyl trimellitate 89-04-3 DTXSID0047533 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCCC)C(=C1)C(=O)OCCCCCCCC Tri-n-octyl trimellitate 89-04-3|Tri-n-octyl trimellitate|1,2,4-Benzenetricarboxylic acid, 1,2,4-trioctyl ester|1,2,4-Benzenetricarboxylic acid, trioctyl ester|Adekacizer C 8|ADK Cizer C 8|Crodamol TOTM|Diplast TM 8|EINECS 201-877-4|Monocizer W 750|PX 338|Tri (n-octyl) Trimellitate|Tri-n-octyl trimellitate|Trimellitate N 08|Trimellitic acid, trioctyl ester|Trimex N 08|Trioctyl 1,2,4-benzenetricarboxylate|Trioctyl trimellitate|Tris(n-octyl) trimellitate|Tris(octyl) trimellitate|UNII-9GPJ04URH3|Vinycizer W 700|39373-94-9|76929-92-5|82249-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047533
ARPathway2016 ARPathway2016_1686 Tri-n-octyl trimellitate 89-04-3 DTXSID0047533 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCCC)C(=C1)C(=O)OCCCCCCCC Tri-n-octyl trimellitate 89-04-3|Tri-n-octyl trimellitate|1,2,4-Benzenetricarboxylic acid, 1,2,4-trioctyl ester|1,2,4-Benzenetricarboxylic acid, trioctyl ester|Adekacizer C 8|ADK Cizer C 8|Crodamol TOTM|Diplast TM 8|EINECS 201-877-4|Monocizer W 750|PX 338|Tri (n-octyl) Trimellitate|Tri-n-octyl trimellitate|Trimellitate N 08|Trimellitic acid, trioctyl ester|Trimex N 08|Trioctyl 1,2,4-benzenetricarboxylate|Trioctyl trimellitate|Tris(n-octyl) trimellitate|Tris(octyl) trimellitate|UNII-9GPJ04URH3|Vinycizer W 700|39373-94-9|76929-92-5|82249-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047533
ARPathway2016 ARPathway2016_1686 Tri-n-octyl trimellitate 89-04-3 DTXSID0047533 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCCC)C(=C1)C(=O)OCCCCCCCC Tri-n-octyl trimellitate 89-04-3|Tri-n-octyl trimellitate|1,2,4-Benzenetricarboxylic acid, 1,2,4-trioctyl ester|1,2,4-Benzenetricarboxylic acid, trioctyl ester|Adekacizer C 8|ADK Cizer C 8|Crodamol TOTM|Diplast TM 8|EINECS 201-877-4|Monocizer W 750|PX 338|Tri (n-octyl) Trimellitate|Tri-n-octyl trimellitate|Trimellitate N 08|Trimellitic acid, trioctyl ester|Trimex N 08|Trioctyl 1,2,4-benzenetricarboxylate|Trioctyl trimellitate|Tris(n-octyl) trimellitate|Tris(octyl) trimellitate|UNII-9GPJ04URH3|Vinycizer W 700|39373-94-9|76929-92-5|82249-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047533
ERPathway2016 ERPathway2016_1725 Tri-n-octyl trimellitate 89-04-3 DTXSID0047533 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCCC)C(=C1)C(=O)OCCCCCCCC Tri-n-octyl trimellitate 89-04-3|Tri-n-octyl trimellitate|1,2,4-Benzenetricarboxylic acid, 1,2,4-trioctyl ester|1,2,4-Benzenetricarboxylic acid, trioctyl ester|Adekacizer C 8|ADK Cizer C 8|Crodamol TOTM|Diplast TM 8|EINECS 201-877-4|Monocizer W 750|PX 338|Tri (n-octyl) Trimellitate|Tri-n-octyl trimellitate|Trimellitate N 08|Trimellitic acid, trioctyl ester|Trimex N 08|Trioctyl 1,2,4-benzenetricarboxylate|Trioctyl trimellitate|Tris(n-octyl) trimellitate|Tris(octyl) trimellitate|UNII-9GPJ04URH3|Vinycizer W 700|39373-94-9|76929-92-5|82249-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047533
ERPathway2016 ERPathway2016_1725 Tri-n-octyl trimellitate 89-04-3 DTXSID0047533 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCCC)C(=C1)C(=O)OCCCCCCCC Tri-n-octyl trimellitate 89-04-3|Tri-n-octyl trimellitate|1,2,4-Benzenetricarboxylic acid, 1,2,4-trioctyl ester|1,2,4-Benzenetricarboxylic acid, trioctyl ester|Adekacizer C 8|ADK Cizer C 8|Crodamol TOTM|Diplast TM 8|EINECS 201-877-4|Monocizer W 750|PX 338|Tri (n-octyl) Trimellitate|Tri-n-octyl trimellitate|Trimellitate N 08|Trimellitic acid, trioctyl ester|Trimex N 08|Trioctyl 1,2,4-benzenetricarboxylate|Trioctyl trimellitate|Tris(n-octyl) trimellitate|Tris(octyl) trimellitate|UNII-9GPJ04URH3|Vinycizer W 700|39373-94-9|76929-92-5|82249-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047533
ERPathway2016 ERPathway2016_1725 Tri-n-octyl trimellitate 89-04-3 DTXSID0047533 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCCC)C(=C1)C(=O)OCCCCCCCC Tri-n-octyl trimellitate 89-04-3|Tri-n-octyl trimellitate|1,2,4-Benzenetricarboxylic acid, 1,2,4-trioctyl ester|1,2,4-Benzenetricarboxylic acid, trioctyl ester|Adekacizer C 8|ADK Cizer C 8|Crodamol TOTM|Diplast TM 8|EINECS 201-877-4|Monocizer W 750|PX 338|Tri (n-octyl) Trimellitate|Tri-n-octyl trimellitate|Trimellitate N 08|Trimellitic acid, trioctyl ester|Trimex N 08|Trioctyl 1,2,4-benzenetricarboxylate|Trioctyl trimellitate|Tris(n-octyl) trimellitate|Tris(octyl) trimellitate|UNII-9GPJ04URH3|Vinycizer W 700|39373-94-9|76929-92-5|82249-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047533
ERPathway2016 ERPathway2016_1725 Tri-n-octyl trimellitate 89-04-3 DTXSID0047533 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCCC)C(=C1)C(=O)OCCCCCCCC Tri-n-octyl trimellitate 89-04-3|Tri-n-octyl trimellitate|1,2,4-Benzenetricarboxylic acid, 1,2,4-trioctyl ester|1,2,4-Benzenetricarboxylic acid, trioctyl ester|Adekacizer C 8|ADK Cizer C 8|Crodamol TOTM|Diplast TM 8|EINECS 201-877-4|Monocizer W 750|PX 338|Tri (n-octyl) Trimellitate|Tri-n-octyl trimellitate|Trimellitate N 08|Trimellitic acid, trioctyl ester|Trimex N 08|Trioctyl 1,2,4-benzenetricarboxylate|Trioctyl trimellitate|Tris(n-octyl) trimellitate|Tris(octyl) trimellitate|UNII-9GPJ04URH3|Vinycizer W 700|39373-94-9|76929-92-5|82249-09-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047533
ARPathway2016 ARPathway2016_25 Triphenyl phosphate 115-86-6 DTXSID1021952 1.0 AR Pathway Model, Agonist AC50 34.1153447477422 uM O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 Triphenyl phosphate 115-86-6|Triphenyl phosphate|4-06-00-00720|BRN 1888236|Celluflex TPP|Disflamoll TP|EINECS 204-112-2|fosfato de trifenilo|NSC 57868|Phenyl phosphate|Phoscon FR 903N|Phosflex TPP|Phosphate de triphenyle|Phosphoric acid, triphenyl ester|Reofos TPP|Sumilizer TPP|TPP|Trifenylfosfat|Triphenoxyphosphine oxide|Triphenylphosphat|Triphenylphosphate|UNII-YZE19Z66EA|Wako TPP|402955-02-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021952 https://doi.org/10.22427/NTP-DATA-DTXSID1021952
ARPathway2016 ARPathway2016_25 Triphenyl phosphate 115-86-6 DTXSID1021952 1.0 AR Pathway Model, Agonist ACC 36.0043827051046 uM O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 Triphenyl phosphate 115-86-6|Triphenyl phosphate|4-06-00-00720|BRN 1888236|Celluflex TPP|Disflamoll TP|EINECS 204-112-2|fosfato de trifenilo|NSC 57868|Phenyl phosphate|Phoscon FR 903N|Phosflex TPP|Phosphate de triphenyle|Phosphoric acid, triphenyl ester|Reofos TPP|Sumilizer TPP|TPP|Trifenylfosfat|Triphenoxyphosphine oxide|Triphenylphosphat|Triphenylphosphate|UNII-YZE19Z66EA|Wako TPP|402955-02-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021952 https://doi.org/10.22427/NTP-DATA-DTXSID1021952
ARPathway2016 ARPathway2016_25 Triphenyl phosphate 115-86-6 DTXSID1021952 1.0 AR Pathway Model, Antagonist Model Score 0.0379 Unitless O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 Triphenyl phosphate 115-86-6|Triphenyl phosphate|4-06-00-00720|BRN 1888236|Celluflex TPP|Disflamoll TP|EINECS 204-112-2|fosfato de trifenilo|NSC 57868|Phenyl phosphate|Phoscon FR 903N|Phosflex TPP|Phosphate de triphenyle|Phosphoric acid, triphenyl ester|Reofos TPP|Sumilizer TPP|TPP|Trifenylfosfat|Triphenoxyphosphine oxide|Triphenylphosphat|Triphenylphosphate|UNII-YZE19Z66EA|Wako TPP|402955-02-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021952 https://doi.org/10.22427/NTP-DATA-DTXSID1021952
ARPathway2016 ARPathway2016_25 Triphenyl phosphate 115-86-6 DTXSID1021952 1.0 AR Pathway Model, Agonist Model Score 0 Unitless O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 Triphenyl phosphate 115-86-6|Triphenyl phosphate|4-06-00-00720|BRN 1888236|Celluflex TPP|Disflamoll TP|EINECS 204-112-2|fosfato de trifenilo|NSC 57868|Phenyl phosphate|Phoscon FR 903N|Phosflex TPP|Phosphate de triphenyle|Phosphoric acid, triphenyl ester|Reofos TPP|Sumilizer TPP|TPP|Trifenylfosfat|Triphenoxyphosphine oxide|Triphenylphosphat|Triphenylphosphate|UNII-YZE19Z66EA|Wako TPP|402955-02-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021952 https://doi.org/10.22427/NTP-DATA-DTXSID1021952
ARPathway2016 ARPathway2016_25 Triphenyl phosphate 115-86-6 DTXSID1021952 1.0 AR Pathway Model, Agonist Call Active Unitless O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 Triphenyl phosphate 115-86-6|Triphenyl phosphate|4-06-00-00720|BRN 1888236|Celluflex TPP|Disflamoll TP|EINECS 204-112-2|fosfato de trifenilo|NSC 57868|Phenyl phosphate|Phoscon FR 903N|Phosflex TPP|Phosphate de triphenyle|Phosphoric acid, triphenyl ester|Reofos TPP|Sumilizer TPP|TPP|Trifenylfosfat|Triphenoxyphosphine oxide|Triphenylphosphat|Triphenylphosphate|UNII-YZE19Z66EA|Wako TPP|402955-02-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021952 https://doi.org/10.22427/NTP-DATA-DTXSID1021952
ARPathway2016 ARPathway2016_25 Triphenyl phosphate 115-86-6 DTXSID1021952 1.0 AR Pathway Model, Antagonist Call Inactive Unitless O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 Triphenyl phosphate 115-86-6|Triphenyl phosphate|4-06-00-00720|BRN 1888236|Celluflex TPP|Disflamoll TP|EINECS 204-112-2|fosfato de trifenilo|NSC 57868|Phenyl phosphate|Phoscon FR 903N|Phosflex TPP|Phosphate de triphenyle|Phosphoric acid, triphenyl ester|Reofos TPP|Sumilizer TPP|TPP|Trifenylfosfat|Triphenoxyphosphine oxide|Triphenylphosphat|Triphenylphosphate|UNII-YZE19Z66EA|Wako TPP|402955-02-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021952 https://doi.org/10.22427/NTP-DATA-DTXSID1021952
ERPathway2016 ERPathway2016_265 Triphenyl phosphate 115-86-6 DTXSID1021952 ER Pathway Model, Antagonist AC50 11.1528927233016 uM O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 Triphenyl phosphate 115-86-6|Triphenyl phosphate|4-06-00-00720|BRN 1888236|Celluflex TPP|Disflamoll TP|EINECS 204-112-2|fosfato de trifenilo|NSC 57868|Phenyl phosphate|Phoscon FR 903N|Phosflex TPP|Phosphate de triphenyle|Phosphoric acid, triphenyl ester|Reofos TPP|Sumilizer TPP|TPP|Trifenylfosfat|Triphenoxyphosphine oxide|Triphenylphosphat|Triphenylphosphate|UNII-YZE19Z66EA|Wako TPP|402955-02-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021952 https://doi.org/10.22427/NTP-DATA-DTXSID1021952
ERPathway2016 ERPathway2016_265 Triphenyl phosphate 115-86-6 DTXSID1021952 ER Pathway Model, Antagonist ACC 8.23148448853688 uM O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 Triphenyl phosphate 115-86-6|Triphenyl phosphate|4-06-00-00720|BRN 1888236|Celluflex TPP|Disflamoll TP|EINECS 204-112-2|fosfato de trifenilo|NSC 57868|Phenyl phosphate|Phoscon FR 903N|Phosflex TPP|Phosphate de triphenyle|Phosphoric acid, triphenyl ester|Reofos TPP|Sumilizer TPP|TPP|Trifenylfosfat|Triphenoxyphosphine oxide|Triphenylphosphat|Triphenylphosphate|UNII-YZE19Z66EA|Wako TPP|402955-02-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021952 https://doi.org/10.22427/NTP-DATA-DTXSID1021952
ERPathway2016 ERPathway2016_265 Triphenyl phosphate 115-86-6 DTXSID1021952 ER Pathway Model, Agonist Model Score 0.0641 Unitless O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 Triphenyl phosphate 115-86-6|Triphenyl phosphate|4-06-00-00720|BRN 1888236|Celluflex TPP|Disflamoll TP|EINECS 204-112-2|fosfato de trifenilo|NSC 57868|Phenyl phosphate|Phoscon FR 903N|Phosflex TPP|Phosphate de triphenyle|Phosphoric acid, triphenyl ester|Reofos TPP|Sumilizer TPP|TPP|Trifenylfosfat|Triphenoxyphosphine oxide|Triphenylphosphat|Triphenylphosphate|UNII-YZE19Z66EA|Wako TPP|402955-02-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021952 https://doi.org/10.22427/NTP-DATA-DTXSID1021952
ERPathway2016 ERPathway2016_265 Triphenyl phosphate 115-86-6 DTXSID1021952 ER Pathway Model, Antagonist Model Score 0.0314 Unitless O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 Triphenyl phosphate 115-86-6|Triphenyl phosphate|4-06-00-00720|BRN 1888236|Celluflex TPP|Disflamoll TP|EINECS 204-112-2|fosfato de trifenilo|NSC 57868|Phenyl phosphate|Phoscon FR 903N|Phosflex TPP|Phosphate de triphenyle|Phosphoric acid, triphenyl ester|Reofos TPP|Sumilizer TPP|TPP|Trifenylfosfat|Triphenoxyphosphine oxide|Triphenylphosphat|Triphenylphosphate|UNII-YZE19Z66EA|Wako TPP|402955-02-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021952 https://doi.org/10.22427/NTP-DATA-DTXSID1021952
ERPathway2016 ERPathway2016_265 Triphenyl phosphate 115-86-6 DTXSID1021952 ER Pathway Model, Agonist Call Inactive Unitless O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 Triphenyl phosphate 115-86-6|Triphenyl phosphate|4-06-00-00720|BRN 1888236|Celluflex TPP|Disflamoll TP|EINECS 204-112-2|fosfato de trifenilo|NSC 57868|Phenyl phosphate|Phoscon FR 903N|Phosflex TPP|Phosphate de triphenyle|Phosphoric acid, triphenyl ester|Reofos TPP|Sumilizer TPP|TPP|Trifenylfosfat|Triphenoxyphosphine oxide|Triphenylphosphat|Triphenylphosphate|UNII-YZE19Z66EA|Wako TPP|402955-02-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021952 https://doi.org/10.22427/NTP-DATA-DTXSID1021952
ERPathway2016 ERPathway2016_265 Triphenyl phosphate 115-86-6 DTXSID1021952 ER Pathway Model, Antagonist Call Active Unitless O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 Triphenyl phosphate 115-86-6|Triphenyl phosphate|4-06-00-00720|BRN 1888236|Celluflex TPP|Disflamoll TP|EINECS 204-112-2|fosfato de trifenilo|NSC 57868|Phenyl phosphate|Phoscon FR 903N|Phosflex TPP|Phosphate de triphenyle|Phosphoric acid, triphenyl ester|Reofos TPP|Sumilizer TPP|TPP|Trifenylfosfat|Triphenoxyphosphine oxide|Triphenylphosphat|Triphenylphosphate|UNII-YZE19Z66EA|Wako TPP|402955-02-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021952 https://doi.org/10.22427/NTP-DATA-DTXSID1021952
ARPathway2016 ARPathway2016_407 Triphenyl phosphite 101-02-0 DTXSID0026252 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless O(P(OC1=CC=CC=C1)OC1=CC=CC=C1)C1=CC=CC=C1 Triphenyl phosphite 101-02-0|Triphenyl phosphite|ADK Stab TPP|Advance TPP|BRN 1079456|Doverphos 10|EINECS 202-908-4|fosfito de trifenilo|Irgafos TPP|Irgastab CH 55|Mark TPP|Mellite 310|NSC 43789|NSC 62219|Phenyl phosphite|Phosclere T 36|Phosphite de triphenyle|Phosphorous acid, triphenyl ester|Phosphorus acid, triphenyl ester|Plastistab 2334|Stabilizer P 36|Sumilizer TPP-R|Sumilizer TTP-R|TPP (VAN)|Trifenoxyfosfin|Trifenylfosfit|Triphenoxyphosphine|Triphenylphosphit|Triphenylphosphite|Tris(phenoxy)phosphine|UNII-9P45GRD24X|Weston TPP https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026252 https://doi.org/10.22427/NTP-DATA-DTXSID0026252
ARPathway2016 ARPathway2016_407 Triphenyl phosphite 101-02-0 DTXSID0026252 0.0 AR Pathway Model, Agonist Model Score 0 Unitless O(P(OC1=CC=CC=C1)OC1=CC=CC=C1)C1=CC=CC=C1 Triphenyl phosphite 101-02-0|Triphenyl phosphite|ADK Stab TPP|Advance TPP|BRN 1079456|Doverphos 10|EINECS 202-908-4|fosfito de trifenilo|Irgafos TPP|Irgastab CH 55|Mark TPP|Mellite 310|NSC 43789|NSC 62219|Phenyl phosphite|Phosclere T 36|Phosphite de triphenyle|Phosphorous acid, triphenyl ester|Phosphorus acid, triphenyl ester|Plastistab 2334|Stabilizer P 36|Sumilizer TPP-R|Sumilizer TTP-R|TPP (VAN)|Trifenoxyfosfin|Trifenylfosfit|Triphenoxyphosphine|Triphenylphosphit|Triphenylphosphite|Tris(phenoxy)phosphine|UNII-9P45GRD24X|Weston TPP https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026252 https://doi.org/10.22427/NTP-DATA-DTXSID0026252
ARPathway2016 ARPathway2016_407 Triphenyl phosphite 101-02-0 DTXSID0026252 0.0 AR Pathway Model, Agonist Call Inactive Unitless O(P(OC1=CC=CC=C1)OC1=CC=CC=C1)C1=CC=CC=C1 Triphenyl phosphite 101-02-0|Triphenyl phosphite|ADK Stab TPP|Advance TPP|BRN 1079456|Doverphos 10|EINECS 202-908-4|fosfito de trifenilo|Irgafos TPP|Irgastab CH 55|Mark TPP|Mellite 310|NSC 43789|NSC 62219|Phenyl phosphite|Phosclere T 36|Phosphite de triphenyle|Phosphorous acid, triphenyl ester|Phosphorus acid, triphenyl ester|Plastistab 2334|Stabilizer P 36|Sumilizer TPP-R|Sumilizer TTP-R|TPP (VAN)|Trifenoxyfosfin|Trifenylfosfit|Triphenoxyphosphine|Triphenylphosphit|Triphenylphosphite|Tris(phenoxy)phosphine|UNII-9P45GRD24X|Weston TPP https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026252 https://doi.org/10.22427/NTP-DATA-DTXSID0026252
ARPathway2016 ARPathway2016_407 Triphenyl phosphite 101-02-0 DTXSID0026252 0.0 AR Pathway Model, Antagonist Call Inactive Unitless O(P(OC1=CC=CC=C1)OC1=CC=CC=C1)C1=CC=CC=C1 Triphenyl phosphite 101-02-0|Triphenyl phosphite|ADK Stab TPP|Advance TPP|BRN 1079456|Doverphos 10|EINECS 202-908-4|fosfito de trifenilo|Irgafos TPP|Irgastab CH 55|Mark TPP|Mellite 310|NSC 43789|NSC 62219|Phenyl phosphite|Phosclere T 36|Phosphite de triphenyle|Phosphorous acid, triphenyl ester|Phosphorus acid, triphenyl ester|Plastistab 2334|Stabilizer P 36|Sumilizer TPP-R|Sumilizer TTP-R|TPP (VAN)|Trifenoxyfosfin|Trifenylfosfit|Triphenoxyphosphine|Triphenylphosphit|Triphenylphosphite|Tris(phenoxy)phosphine|UNII-9P45GRD24X|Weston TPP https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026252 https://doi.org/10.22427/NTP-DATA-DTXSID0026252
ERPathway2016 ERPathway2016_476 Triphenyl phosphite 101-02-0 DTXSID0026252 ER Pathway Model, Antagonist AC50 51.3097064844513 uM O(P(OC1=CC=CC=C1)OC1=CC=CC=C1)C1=CC=CC=C1 Triphenyl phosphite 101-02-0|Triphenyl phosphite|ADK Stab TPP|Advance TPP|BRN 1079456|Doverphos 10|EINECS 202-908-4|fosfito de trifenilo|Irgafos TPP|Irgastab CH 55|Mark TPP|Mellite 310|NSC 43789|NSC 62219|Phenyl phosphite|Phosclere T 36|Phosphite de triphenyle|Phosphorous acid, triphenyl ester|Phosphorus acid, triphenyl ester|Plastistab 2334|Stabilizer P 36|Sumilizer TPP-R|Sumilizer TTP-R|TPP (VAN)|Trifenoxyfosfin|Trifenylfosfit|Triphenoxyphosphine|Triphenylphosphit|Triphenylphosphite|Tris(phenoxy)phosphine|UNII-9P45GRD24X|Weston TPP https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026252 https://doi.org/10.22427/NTP-DATA-DTXSID0026252
ERPathway2016 ERPathway2016_476 Triphenyl phosphite 101-02-0 DTXSID0026252 ER Pathway Model, Antagonist ACC 85.5972452979239 uM O(P(OC1=CC=CC=C1)OC1=CC=CC=C1)C1=CC=CC=C1 Triphenyl phosphite 101-02-0|Triphenyl phosphite|ADK Stab TPP|Advance TPP|BRN 1079456|Doverphos 10|EINECS 202-908-4|fosfito de trifenilo|Irgafos TPP|Irgastab CH 55|Mark TPP|Mellite 310|NSC 43789|NSC 62219|Phenyl phosphite|Phosclere T 36|Phosphite de triphenyle|Phosphorous acid, triphenyl ester|Phosphorus acid, triphenyl ester|Plastistab 2334|Stabilizer P 36|Sumilizer TPP-R|Sumilizer TTP-R|TPP (VAN)|Trifenoxyfosfin|Trifenylfosfit|Triphenoxyphosphine|Triphenylphosphit|Triphenylphosphite|Tris(phenoxy)phosphine|UNII-9P45GRD24X|Weston TPP https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026252 https://doi.org/10.22427/NTP-DATA-DTXSID0026252
ERPathway2016 ERPathway2016_476 Triphenyl phosphite 101-02-0 DTXSID0026252 ER Pathway Model, Agonist Model Score 0.0021 Unitless O(P(OC1=CC=CC=C1)OC1=CC=CC=C1)C1=CC=CC=C1 Triphenyl phosphite 101-02-0|Triphenyl phosphite|ADK Stab TPP|Advance TPP|BRN 1079456|Doverphos 10|EINECS 202-908-4|fosfito de trifenilo|Irgafos TPP|Irgastab CH 55|Mark TPP|Mellite 310|NSC 43789|NSC 62219|Phenyl phosphite|Phosclere T 36|Phosphite de triphenyle|Phosphorous acid, triphenyl ester|Phosphorus acid, triphenyl ester|Plastistab 2334|Stabilizer P 36|Sumilizer TPP-R|Sumilizer TTP-R|TPP (VAN)|Trifenoxyfosfin|Trifenylfosfit|Triphenoxyphosphine|Triphenylphosphit|Triphenylphosphite|Tris(phenoxy)phosphine|UNII-9P45GRD24X|Weston TPP https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026252 https://doi.org/10.22427/NTP-DATA-DTXSID0026252
ERPathway2016 ERPathway2016_476 Triphenyl phosphite 101-02-0 DTXSID0026252 ER Pathway Model, Antagonist Model Score 0 Unitless O(P(OC1=CC=CC=C1)OC1=CC=CC=C1)C1=CC=CC=C1 Triphenyl phosphite 101-02-0|Triphenyl phosphite|ADK Stab TPP|Advance TPP|BRN 1079456|Doverphos 10|EINECS 202-908-4|fosfito de trifenilo|Irgafos TPP|Irgastab CH 55|Mark TPP|Mellite 310|NSC 43789|NSC 62219|Phenyl phosphite|Phosclere T 36|Phosphite de triphenyle|Phosphorous acid, triphenyl ester|Phosphorus acid, triphenyl ester|Plastistab 2334|Stabilizer P 36|Sumilizer TPP-R|Sumilizer TTP-R|TPP (VAN)|Trifenoxyfosfin|Trifenylfosfit|Triphenoxyphosphine|Triphenylphosphit|Triphenylphosphite|Tris(phenoxy)phosphine|UNII-9P45GRD24X|Weston TPP https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026252 https://doi.org/10.22427/NTP-DATA-DTXSID0026252
ERPathway2016 ERPathway2016_476 Triphenyl phosphite 101-02-0 DTXSID0026252 ER Pathway Model, Agonist Call Inactive Unitless O(P(OC1=CC=CC=C1)OC1=CC=CC=C1)C1=CC=CC=C1 Triphenyl phosphite 101-02-0|Triphenyl phosphite|ADK Stab TPP|Advance TPP|BRN 1079456|Doverphos 10|EINECS 202-908-4|fosfito de trifenilo|Irgafos TPP|Irgastab CH 55|Mark TPP|Mellite 310|NSC 43789|NSC 62219|Phenyl phosphite|Phosclere T 36|Phosphite de triphenyle|Phosphorous acid, triphenyl ester|Phosphorus acid, triphenyl ester|Plastistab 2334|Stabilizer P 36|Sumilizer TPP-R|Sumilizer TTP-R|TPP (VAN)|Trifenoxyfosfin|Trifenylfosfit|Triphenoxyphosphine|Triphenylphosphit|Triphenylphosphite|Tris(phenoxy)phosphine|UNII-9P45GRD24X|Weston TPP https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026252 https://doi.org/10.22427/NTP-DATA-DTXSID0026252
ERPathway2016 ERPathway2016_476 Triphenyl phosphite 101-02-0 DTXSID0026252 ER Pathway Model, Antagonist Call Active Unitless O(P(OC1=CC=CC=C1)OC1=CC=CC=C1)C1=CC=CC=C1 Triphenyl phosphite 101-02-0|Triphenyl phosphite|ADK Stab TPP|Advance TPP|BRN 1079456|Doverphos 10|EINECS 202-908-4|fosfito de trifenilo|Irgafos TPP|Irgastab CH 55|Mark TPP|Mellite 310|NSC 43789|NSC 62219|Phenyl phosphite|Phosclere T 36|Phosphite de triphenyle|Phosphorous acid, triphenyl ester|Phosphorus acid, triphenyl ester|Plastistab 2334|Stabilizer P 36|Sumilizer TPP-R|Sumilizer TTP-R|TPP (VAN)|Trifenoxyfosfin|Trifenylfosfit|Triphenoxyphosphine|Triphenylphosphit|Triphenylphosphite|Tris(phenoxy)phosphine|UNII-9P45GRD24X|Weston TPP https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026252 https://doi.org/10.22427/NTP-DATA-DTXSID0026252
ARPathway2016 ARPathway2016_1774 Triphenylborane 960-71-4 DTXSID6027345 1.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1=CC=C(C=C1)B(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylborane 960-71-4|Triphenylborane|Borane, triphenyl-|Borine, triphenyl|EINECS 213-504-2|Triphenylborine|Triphenylboron https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027345
ARPathway2016 ARPathway2016_1774 Triphenylborane 960-71-4 DTXSID6027345 1.0 AR Pathway Model, Agonist Model Score 0 Unitless C1=CC=C(C=C1)B(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylborane 960-71-4|Triphenylborane|Borane, triphenyl-|Borine, triphenyl|EINECS 213-504-2|Triphenylborine|Triphenylboron https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027345
ARPathway2016 ARPathway2016_1774 Triphenylborane 960-71-4 DTXSID6027345 1.0 AR Pathway Model, Agonist Call Inactive Unitless C1=CC=C(C=C1)B(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylborane 960-71-4|Triphenylborane|Borane, triphenyl-|Borine, triphenyl|EINECS 213-504-2|Triphenylborine|Triphenylboron https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027345
ARPathway2016 ARPathway2016_1774 Triphenylborane 960-71-4 DTXSID6027345 1.0 AR Pathway Model, Antagonist Call Inactive Unitless C1=CC=C(C=C1)B(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylborane 960-71-4|Triphenylborane|Borane, triphenyl-|Borine, triphenyl|EINECS 213-504-2|Triphenylborine|Triphenylboron https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027345
ERPathway2016 ERPathway2016_234 Triphenylborane 960-71-4 DTXSID6027345 Agonist ER Pathway Model, Antagonist AC50 46.9575873739996 uM C1=CC=C(C=C1)B(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylborane 960-71-4|Triphenylborane|Borane, triphenyl-|Borine, triphenyl|EINECS 213-504-2|Triphenylborine|Triphenylboron https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027345
ERPathway2016 ERPathway2016_234 Triphenylborane 960-71-4 DTXSID6027345 Agonist ER Pathway Model, Antagonist ACC 20.7167860209085 uM C1=CC=C(C=C1)B(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylborane 960-71-4|Triphenylborane|Borane, triphenyl-|Borine, triphenyl|EINECS 213-504-2|Triphenylborine|Triphenylboron https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027345
ERPathway2016 ERPathway2016_234 Triphenylborane 960-71-4 DTXSID6027345 Agonist ER Pathway Model, Agonist Model Score 0.101 Unitless C1=CC=C(C=C1)B(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylborane 960-71-4|Triphenylborane|Borane, triphenyl-|Borine, triphenyl|EINECS 213-504-2|Triphenylborine|Triphenylboron https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027345
ERPathway2016 ERPathway2016_234 Triphenylborane 960-71-4 DTXSID6027345 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless C1=CC=C(C=C1)B(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylborane 960-71-4|Triphenylborane|Borane, triphenyl-|Borine, triphenyl|EINECS 213-504-2|Triphenylborine|Triphenylboron https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027345
ERPathway2016 ERPathway2016_234 Triphenylborane 960-71-4 DTXSID6027345 Agonist ER Pathway Model, Agonist Call Inactive Unitless C1=CC=C(C=C1)B(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylborane 960-71-4|Triphenylborane|Borane, triphenyl-|Borine, triphenyl|EINECS 213-504-2|Triphenylborine|Triphenylboron https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027345
ERPathway2016 ERPathway2016_234 Triphenylborane 960-71-4 DTXSID6027345 Agonist ER Pathway Model, Antagonist Call Active Unitless C1=CC=C(C=C1)B(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylborane 960-71-4|Triphenylborane|Borane, triphenyl-|Borine, triphenyl|EINECS 213-504-2|Triphenylborine|Triphenylboron https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027345
ARPathway2016 ARPathway2016_223 Triphenylethylene 58-72-0 DTXSID3022320 True antagonist shift (No hit/Hit) 4.0 A11 AR Pathway Model, Agonist AC50 71.91601035 uM C(=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 Triphenylethylene 58-72-0|Triphenylethylene|1,1,2-Triphenylethylene|1,2,2-Triphenylethylene|Benzilidenediphenylmethane|EINECS 200-395-1|NSC 17535|Triphenylethene|UNII-S4ZLZ1K74B https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022320
ARPathway2016 ARPathway2016_223 Triphenylethylene 58-72-0 DTXSID3022320 True antagonist shift (No hit/Hit) 4.0 A11 AR Pathway Model, Agonist ACC 84.1245532900001 uM C(=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 Triphenylethylene 58-72-0|Triphenylethylene|1,1,2-Triphenylethylene|1,2,2-Triphenylethylene|Benzilidenediphenylmethane|EINECS 200-395-1|NSC 17535|Triphenylethene|UNII-S4ZLZ1K74B https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022320
ARPathway2016 ARPathway2016_223 Triphenylethylene 58-72-0 DTXSID3022320 True antagonist shift (No hit/Hit) 4.0 A11 AR Pathway Model, Antagonist Model Score 0.0439 Unitless C(=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 Triphenylethylene 58-72-0|Triphenylethylene|1,1,2-Triphenylethylene|1,2,2-Triphenylethylene|Benzilidenediphenylmethane|EINECS 200-395-1|NSC 17535|Triphenylethene|UNII-S4ZLZ1K74B https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022320
ARPathway2016 ARPathway2016_223 Triphenylethylene 58-72-0 DTXSID3022320 True antagonist shift (No hit/Hit) 4.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless C(=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 Triphenylethylene 58-72-0|Triphenylethylene|1,1,2-Triphenylethylene|1,2,2-Triphenylethylene|Benzilidenediphenylmethane|EINECS 200-395-1|NSC 17535|Triphenylethene|UNII-S4ZLZ1K74B https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022320
ARPathway2016 ARPathway2016_223 Triphenylethylene 58-72-0 DTXSID3022320 True antagonist shift (No hit/Hit) 4.0 A11 AR Pathway Model, Agonist Call Active Unitless C(=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 Triphenylethylene 58-72-0|Triphenylethylene|1,1,2-Triphenylethylene|1,2,2-Triphenylethylene|Benzilidenediphenylmethane|EINECS 200-395-1|NSC 17535|Triphenylethene|UNII-S4ZLZ1K74B https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022320
ARPathway2016 ARPathway2016_223 Triphenylethylene 58-72-0 DTXSID3022320 True antagonist shift (No hit/Hit) 4.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless C(=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 Triphenylethylene 58-72-0|Triphenylethylene|1,1,2-Triphenylethylene|1,2,2-Triphenylethylene|Benzilidenediphenylmethane|EINECS 200-395-1|NSC 17535|Triphenylethene|UNII-S4ZLZ1K74B https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022320
ERPathway2016 ERPathway2016_173 Triphenylethylene 58-72-0 DTXSID3022320 Agonist ER Pathway Model, Antagonist AC50 1.57398133259791 uM C(=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 Triphenylethylene 58-72-0|Triphenylethylene|1,1,2-Triphenylethylene|1,2,2-Triphenylethylene|Benzilidenediphenylmethane|EINECS 200-395-1|NSC 17535|Triphenylethene|UNII-S4ZLZ1K74B https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022320
ERPathway2016 ERPathway2016_173 Triphenylethylene 58-72-0 DTXSID3022320 Agonist ER Pathway Model, Antagonist ACC 0.94730142687134 uM C(=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 Triphenylethylene 58-72-0|Triphenylethylene|1,1,2-Triphenylethylene|1,2,2-Triphenylethylene|Benzilidenediphenylmethane|EINECS 200-395-1|NSC 17535|Triphenylethene|UNII-S4ZLZ1K74B https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022320
ERPathway2016 ERPathway2016_173 Triphenylethylene 58-72-0 DTXSID3022320 Agonist ER Pathway Model, Agonist Model Score 0.383 Unitless C(=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 Triphenylethylene 58-72-0|Triphenylethylene|1,1,2-Triphenylethylene|1,2,2-Triphenylethylene|Benzilidenediphenylmethane|EINECS 200-395-1|NSC 17535|Triphenylethene|UNII-S4ZLZ1K74B https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022320
ERPathway2016 ERPathway2016_173 Triphenylethylene 58-72-0 DTXSID3022320 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless C(=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 Triphenylethylene 58-72-0|Triphenylethylene|1,1,2-Triphenylethylene|1,2,2-Triphenylethylene|Benzilidenediphenylmethane|EINECS 200-395-1|NSC 17535|Triphenylethene|UNII-S4ZLZ1K74B https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022320
ERPathway2016 ERPathway2016_173 Triphenylethylene 58-72-0 DTXSID3022320 Agonist ER Pathway Model, Agonist Call Inactive Unitless C(=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 Triphenylethylene 58-72-0|Triphenylethylene|1,1,2-Triphenylethylene|1,2,2-Triphenylethylene|Benzilidenediphenylmethane|EINECS 200-395-1|NSC 17535|Triphenylethene|UNII-S4ZLZ1K74B https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022320
ERPathway2016 ERPathway2016_173 Triphenylethylene 58-72-0 DTXSID3022320 Agonist ER Pathway Model, Antagonist Call Active Unitless C(=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 Triphenylethylene 58-72-0|Triphenylethylene|1,1,2-Triphenylethylene|1,2,2-Triphenylethylene|Benzilidenediphenylmethane|EINECS 200-395-1|NSC 17535|Triphenylethene|UNII-S4ZLZ1K74B https://comptox.epa.gov/dashboard/chemical/details/DTXSID3022320
ARPathway2016 ARPathway2016_1388 Triphenylphosphine 603-35-0 DTXSID5026251 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylphosphine 603-35-0|Triphenylphosphine|4-16-00-00951|BRN 0610776|EINECS 210-036-0|EPCAT-P|Iron, dichlorobis(triphenylphosphine)-, tetrahydrate|NSC 10|NSC 215203|Phosphine, triphenyl-|trifenilfosfina|Trifenylfosfin|Triphenyl phosphine|Triphenylphosphane|Triphenylphosphide|Triphenylphosphin|Triphenylphosphorus|UNII-26D26OA393|112771-47-8|1198579-87-1|630403-25-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026251 https://doi.org/10.22427/NTP-DATA-DTXSID5026251
ARPathway2016 ARPathway2016_1388 Triphenylphosphine 603-35-0 DTXSID5026251 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylphosphine 603-35-0|Triphenylphosphine|4-16-00-00951|BRN 0610776|EINECS 210-036-0|EPCAT-P|Iron, dichlorobis(triphenylphosphine)-, tetrahydrate|NSC 10|NSC 215203|Phosphine, triphenyl-|trifenilfosfina|Trifenylfosfin|Triphenyl phosphine|Triphenylphosphane|Triphenylphosphide|Triphenylphosphin|Triphenylphosphorus|UNII-26D26OA393|112771-47-8|1198579-87-1|630403-25-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026251 https://doi.org/10.22427/NTP-DATA-DTXSID5026251
ARPathway2016 ARPathway2016_1388 Triphenylphosphine 603-35-0 DTXSID5026251 0.0 AR Pathway Model, Agonist Call Inactive Unitless C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylphosphine 603-35-0|Triphenylphosphine|4-16-00-00951|BRN 0610776|EINECS 210-036-0|EPCAT-P|Iron, dichlorobis(triphenylphosphine)-, tetrahydrate|NSC 10|NSC 215203|Phosphine, triphenyl-|trifenilfosfina|Trifenylfosfin|Triphenyl phosphine|Triphenylphosphane|Triphenylphosphide|Triphenylphosphin|Triphenylphosphorus|UNII-26D26OA393|112771-47-8|1198579-87-1|630403-25-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026251 https://doi.org/10.22427/NTP-DATA-DTXSID5026251
ARPathway2016 ARPathway2016_1388 Triphenylphosphine 603-35-0 DTXSID5026251 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylphosphine 603-35-0|Triphenylphosphine|4-16-00-00951|BRN 0610776|EINECS 210-036-0|EPCAT-P|Iron, dichlorobis(triphenylphosphine)-, tetrahydrate|NSC 10|NSC 215203|Phosphine, triphenyl-|trifenilfosfina|Trifenylfosfin|Triphenyl phosphine|Triphenylphosphane|Triphenylphosphide|Triphenylphosphin|Triphenylphosphorus|UNII-26D26OA393|112771-47-8|1198579-87-1|630403-25-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026251 https://doi.org/10.22427/NTP-DATA-DTXSID5026251
ERPathway2016 ERPathway2016_262 Triphenylphosphine 603-35-0 DTXSID5026251 ER Pathway Model, Antagonist AC50 29.8242103794311 uM C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylphosphine 603-35-0|Triphenylphosphine|4-16-00-00951|BRN 0610776|EINECS 210-036-0|EPCAT-P|Iron, dichlorobis(triphenylphosphine)-, tetrahydrate|NSC 10|NSC 215203|Phosphine, triphenyl-|trifenilfosfina|Trifenylfosfin|Triphenyl phosphine|Triphenylphosphane|Triphenylphosphide|Triphenylphosphin|Triphenylphosphorus|UNII-26D26OA393|112771-47-8|1198579-87-1|630403-25-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026251 https://doi.org/10.22427/NTP-DATA-DTXSID5026251
ERPathway2016 ERPathway2016_262 Triphenylphosphine 603-35-0 DTXSID5026251 ER Pathway Model, Antagonist ACC 18.792225661423 uM C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylphosphine 603-35-0|Triphenylphosphine|4-16-00-00951|BRN 0610776|EINECS 210-036-0|EPCAT-P|Iron, dichlorobis(triphenylphosphine)-, tetrahydrate|NSC 10|NSC 215203|Phosphine, triphenyl-|trifenilfosfina|Trifenylfosfin|Triphenyl phosphine|Triphenylphosphane|Triphenylphosphide|Triphenylphosphin|Triphenylphosphorus|UNII-26D26OA393|112771-47-8|1198579-87-1|630403-25-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026251 https://doi.org/10.22427/NTP-DATA-DTXSID5026251
ERPathway2016 ERPathway2016_262 Triphenylphosphine 603-35-0 DTXSID5026251 ER Pathway Model, Agonist Model Score 0.0652 Unitless C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylphosphine 603-35-0|Triphenylphosphine|4-16-00-00951|BRN 0610776|EINECS 210-036-0|EPCAT-P|Iron, dichlorobis(triphenylphosphine)-, tetrahydrate|NSC 10|NSC 215203|Phosphine, triphenyl-|trifenilfosfina|Trifenylfosfin|Triphenyl phosphine|Triphenylphosphane|Triphenylphosphide|Triphenylphosphin|Triphenylphosphorus|UNII-26D26OA393|112771-47-8|1198579-87-1|630403-25-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026251 https://doi.org/10.22427/NTP-DATA-DTXSID5026251
ERPathway2016 ERPathway2016_262 Triphenylphosphine 603-35-0 DTXSID5026251 ER Pathway Model, Antagonist Model Score 0.00198 Unitless C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylphosphine 603-35-0|Triphenylphosphine|4-16-00-00951|BRN 0610776|EINECS 210-036-0|EPCAT-P|Iron, dichlorobis(triphenylphosphine)-, tetrahydrate|NSC 10|NSC 215203|Phosphine, triphenyl-|trifenilfosfina|Trifenylfosfin|Triphenyl phosphine|Triphenylphosphane|Triphenylphosphide|Triphenylphosphin|Triphenylphosphorus|UNII-26D26OA393|112771-47-8|1198579-87-1|630403-25-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026251 https://doi.org/10.22427/NTP-DATA-DTXSID5026251
ERPathway2016 ERPathway2016_262 Triphenylphosphine 603-35-0 DTXSID5026251 ER Pathway Model, Agonist Call Inactive Unitless C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylphosphine 603-35-0|Triphenylphosphine|4-16-00-00951|BRN 0610776|EINECS 210-036-0|EPCAT-P|Iron, dichlorobis(triphenylphosphine)-, tetrahydrate|NSC 10|NSC 215203|Phosphine, triphenyl-|trifenilfosfina|Trifenylfosfin|Triphenyl phosphine|Triphenylphosphane|Triphenylphosphide|Triphenylphosphin|Triphenylphosphorus|UNII-26D26OA393|112771-47-8|1198579-87-1|630403-25-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026251 https://doi.org/10.22427/NTP-DATA-DTXSID5026251
ERPathway2016 ERPathway2016_262 Triphenylphosphine 603-35-0 DTXSID5026251 ER Pathway Model, Antagonist Call Active Unitless C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 Triphenylphosphine 603-35-0|Triphenylphosphine|4-16-00-00951|BRN 0610776|EINECS 210-036-0|EPCAT-P|Iron, dichlorobis(triphenylphosphine)-, tetrahydrate|NSC 10|NSC 215203|Phosphine, triphenyl-|trifenilfosfina|Trifenylfosfin|Triphenyl phosphine|Triphenylphosphane|Triphenylphosphide|Triphenylphosphin|Triphenylphosphorus|UNII-26D26OA393|112771-47-8|1198579-87-1|630403-25-7 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026251 https://doi.org/10.22427/NTP-DATA-DTXSID5026251
ARPathway2016 ARPathway2016_273 Triphenyltin hydroxide 76-87-9 DTXSID1021409 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 0.161003438185664 uM O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Triphenyltin hydroxide 76-87-9|Triphenyltin hydroxide|[Sn(OH)Ph3]|Brestan H 47.5 WP fungicide|BRN 4139186|Caswell No. 896E|Du-Ter Fungicide|Du-Ter Fungicide Wettable Powder|Du-Ter PB-47 Fungicide|Du-Ter W-50|Du-Tur Flowable-30|Duter extra|EINECS 200-990-6|EPA Pesticide Chemical Code 083601|Erithane|Fenolovo|Fentin Hydroxide|FENTIN-HYDROXID|Fentinhydroxid|Fintin hydroxid|Fintin hydroxyde|Fintin idrossido|Fintine hydroxide|Fintine hydroxyde|Haitin WP 20 (fentin hydroxide 20%)|Haitin WP 60 (fentin hydroxide 60%)|hidroxido de fentin|Hydroxyde de fentine|Hydroxyde de triphenyl-etain|Hydroxytriphenyl stannane|Hydroxytriphenylstannane|Hydroxytriphenyltin|Ida, Imc Flo-Tin 4L|Idrossido di stagno trifenile|NCI-C00260|NSC 113243|Phenostat-H|Sn(OH)Ph3|Stannane, hydroxytriphenyl-|Stannol, triphenyl-|Sunitron H|Super Tin 4L Gardian Flowable Fungicide|SuperTin|Tenhide|Tin, hydroxytriphenyl-|TPTH|Tpth Technical|Trifenyl-tinhydroxyde|Trifenylstanniumhydroxid|Triphenyl tin hydroxide|Triphenyl-zinnhydroxid|Triphenyl(hydroxo)stannane|Triphenylhydroxytin|Triphenylstannanol|Triphenyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021409 https://doi.org/10.22427/NTP-DATA-DTXSID1021409
ARPathway2016 ARPathway2016_273 Triphenyltin hydroxide 76-87-9 DTXSID1021409 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 0.117791844637894 uM O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Triphenyltin hydroxide 76-87-9|Triphenyltin hydroxide|[Sn(OH)Ph3]|Brestan H 47.5 WP fungicide|BRN 4139186|Caswell No. 896E|Du-Ter Fungicide|Du-Ter Fungicide Wettable Powder|Du-Ter PB-47 Fungicide|Du-Ter W-50|Du-Tur Flowable-30|Duter extra|EINECS 200-990-6|EPA Pesticide Chemical Code 083601|Erithane|Fenolovo|Fentin Hydroxide|FENTIN-HYDROXID|Fentinhydroxid|Fintin hydroxid|Fintin hydroxyde|Fintin idrossido|Fintine hydroxide|Fintine hydroxyde|Haitin WP 20 (fentin hydroxide 20%)|Haitin WP 60 (fentin hydroxide 60%)|hidroxido de fentin|Hydroxyde de fentine|Hydroxyde de triphenyl-etain|Hydroxytriphenyl stannane|Hydroxytriphenylstannane|Hydroxytriphenyltin|Ida, Imc Flo-Tin 4L|Idrossido di stagno trifenile|NCI-C00260|NSC 113243|Phenostat-H|Sn(OH)Ph3|Stannane, hydroxytriphenyl-|Stannol, triphenyl-|Sunitron H|Super Tin 4L Gardian Flowable Fungicide|SuperTin|Tenhide|Tin, hydroxytriphenyl-|TPTH|Tpth Technical|Trifenyl-tinhydroxyde|Trifenylstanniumhydroxid|Triphenyl tin hydroxide|Triphenyl-zinnhydroxid|Triphenyl(hydroxo)stannane|Triphenylhydroxytin|Triphenylstannanol|Triphenyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021409 https://doi.org/10.22427/NTP-DATA-DTXSID1021409
ARPathway2016 ARPathway2016_273 Triphenyltin hydroxide 76-87-9 DTXSID1021409 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.786 Unitless O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Triphenyltin hydroxide 76-87-9|Triphenyltin hydroxide|[Sn(OH)Ph3]|Brestan H 47.5 WP fungicide|BRN 4139186|Caswell No. 896E|Du-Ter Fungicide|Du-Ter Fungicide Wettable Powder|Du-Ter PB-47 Fungicide|Du-Ter W-50|Du-Tur Flowable-30|Duter extra|EINECS 200-990-6|EPA Pesticide Chemical Code 083601|Erithane|Fenolovo|Fentin Hydroxide|FENTIN-HYDROXID|Fentinhydroxid|Fintin hydroxid|Fintin hydroxyde|Fintin idrossido|Fintine hydroxide|Fintine hydroxyde|Haitin WP 20 (fentin hydroxide 20%)|Haitin WP 60 (fentin hydroxide 60%)|hidroxido de fentin|Hydroxyde de fentine|Hydroxyde de triphenyl-etain|Hydroxytriphenyl stannane|Hydroxytriphenylstannane|Hydroxytriphenyltin|Ida, Imc Flo-Tin 4L|Idrossido di stagno trifenile|NCI-C00260|NSC 113243|Phenostat-H|Sn(OH)Ph3|Stannane, hydroxytriphenyl-|Stannol, triphenyl-|Sunitron H|Super Tin 4L Gardian Flowable Fungicide|SuperTin|Tenhide|Tin, hydroxytriphenyl-|TPTH|Tpth Technical|Trifenyl-tinhydroxyde|Trifenylstanniumhydroxid|Triphenyl tin hydroxide|Triphenyl-zinnhydroxid|Triphenyl(hydroxo)stannane|Triphenylhydroxytin|Triphenylstannanol|Triphenyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021409 https://doi.org/10.22427/NTP-DATA-DTXSID1021409
ARPathway2016 ARPathway2016_273 Triphenyltin hydroxide 76-87-9 DTXSID1021409 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Triphenyltin hydroxide 76-87-9|Triphenyltin hydroxide|[Sn(OH)Ph3]|Brestan H 47.5 WP fungicide|BRN 4139186|Caswell No. 896E|Du-Ter Fungicide|Du-Ter Fungicide Wettable Powder|Du-Ter PB-47 Fungicide|Du-Ter W-50|Du-Tur Flowable-30|Duter extra|EINECS 200-990-6|EPA Pesticide Chemical Code 083601|Erithane|Fenolovo|Fentin Hydroxide|FENTIN-HYDROXID|Fentinhydroxid|Fintin hydroxid|Fintin hydroxyde|Fintin idrossido|Fintine hydroxide|Fintine hydroxyde|Haitin WP 20 (fentin hydroxide 20%)|Haitin WP 60 (fentin hydroxide 60%)|hidroxido de fentin|Hydroxyde de fentine|Hydroxyde de triphenyl-etain|Hydroxytriphenyl stannane|Hydroxytriphenylstannane|Hydroxytriphenyltin|Ida, Imc Flo-Tin 4L|Idrossido di stagno trifenile|NCI-C00260|NSC 113243|Phenostat-H|Sn(OH)Ph3|Stannane, hydroxytriphenyl-|Stannol, triphenyl-|Sunitron H|Super Tin 4L Gardian Flowable Fungicide|SuperTin|Tenhide|Tin, hydroxytriphenyl-|TPTH|Tpth Technical|Trifenyl-tinhydroxyde|Trifenylstanniumhydroxid|Triphenyl tin hydroxide|Triphenyl-zinnhydroxid|Triphenyl(hydroxo)stannane|Triphenylhydroxytin|Triphenylstannanol|Triphenyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021409 https://doi.org/10.22427/NTP-DATA-DTXSID1021409
ARPathway2016 ARPathway2016_273 Triphenyltin hydroxide 76-87-9 DTXSID1021409 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Triphenyltin hydroxide 76-87-9|Triphenyltin hydroxide|[Sn(OH)Ph3]|Brestan H 47.5 WP fungicide|BRN 4139186|Caswell No. 896E|Du-Ter Fungicide|Du-Ter Fungicide Wettable Powder|Du-Ter PB-47 Fungicide|Du-Ter W-50|Du-Tur Flowable-30|Duter extra|EINECS 200-990-6|EPA Pesticide Chemical Code 083601|Erithane|Fenolovo|Fentin Hydroxide|FENTIN-HYDROXID|Fentinhydroxid|Fintin hydroxid|Fintin hydroxyde|Fintin idrossido|Fintine hydroxide|Fintine hydroxyde|Haitin WP 20 (fentin hydroxide 20%)|Haitin WP 60 (fentin hydroxide 60%)|hidroxido de fentin|Hydroxyde de fentine|Hydroxyde de triphenyl-etain|Hydroxytriphenyl stannane|Hydroxytriphenylstannane|Hydroxytriphenyltin|Ida, Imc Flo-Tin 4L|Idrossido di stagno trifenile|NCI-C00260|NSC 113243|Phenostat-H|Sn(OH)Ph3|Stannane, hydroxytriphenyl-|Stannol, triphenyl-|Sunitron H|Super Tin 4L Gardian Flowable Fungicide|SuperTin|Tenhide|Tin, hydroxytriphenyl-|TPTH|Tpth Technical|Trifenyl-tinhydroxyde|Trifenylstanniumhydroxid|Triphenyl tin hydroxide|Triphenyl-zinnhydroxid|Triphenyl(hydroxo)stannane|Triphenylhydroxytin|Triphenylstannanol|Triphenyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021409 https://doi.org/10.22427/NTP-DATA-DTXSID1021409
ARPathway2016 ARPathway2016_273 Triphenyltin hydroxide 76-87-9 DTXSID1021409 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Triphenyltin hydroxide 76-87-9|Triphenyltin hydroxide|[Sn(OH)Ph3]|Brestan H 47.5 WP fungicide|BRN 4139186|Caswell No. 896E|Du-Ter Fungicide|Du-Ter Fungicide Wettable Powder|Du-Ter PB-47 Fungicide|Du-Ter W-50|Du-Tur Flowable-30|Duter extra|EINECS 200-990-6|EPA Pesticide Chemical Code 083601|Erithane|Fenolovo|Fentin Hydroxide|FENTIN-HYDROXID|Fentinhydroxid|Fintin hydroxid|Fintin hydroxyde|Fintin idrossido|Fintine hydroxide|Fintine hydroxyde|Haitin WP 20 (fentin hydroxide 20%)|Haitin WP 60 (fentin hydroxide 60%)|hidroxido de fentin|Hydroxyde de fentine|Hydroxyde de triphenyl-etain|Hydroxytriphenyl stannane|Hydroxytriphenylstannane|Hydroxytriphenyltin|Ida, Imc Flo-Tin 4L|Idrossido di stagno trifenile|NCI-C00260|NSC 113243|Phenostat-H|Sn(OH)Ph3|Stannane, hydroxytriphenyl-|Stannol, triphenyl-|Sunitron H|Super Tin 4L Gardian Flowable Fungicide|SuperTin|Tenhide|Tin, hydroxytriphenyl-|TPTH|Tpth Technical|Trifenyl-tinhydroxyde|Trifenylstanniumhydroxid|Triphenyl tin hydroxide|Triphenyl-zinnhydroxid|Triphenyl(hydroxo)stannane|Triphenylhydroxytin|Triphenylstannanol|Triphenyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021409 https://doi.org/10.22427/NTP-DATA-DTXSID1021409
ERPathway2016 ERPathway2016_550 Triphenyltin hydroxide 76-87-9 DTXSID1021409 R9 ER Pathway Model, Agonist Model Score 0 Unitless O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Triphenyltin hydroxide 76-87-9|Triphenyltin hydroxide|[Sn(OH)Ph3]|Brestan H 47.5 WP fungicide|BRN 4139186|Caswell No. 896E|Du-Ter Fungicide|Du-Ter Fungicide Wettable Powder|Du-Ter PB-47 Fungicide|Du-Ter W-50|Du-Tur Flowable-30|Duter extra|EINECS 200-990-6|EPA Pesticide Chemical Code 083601|Erithane|Fenolovo|Fentin Hydroxide|FENTIN-HYDROXID|Fentinhydroxid|Fintin hydroxid|Fintin hydroxyde|Fintin idrossido|Fintine hydroxide|Fintine hydroxyde|Haitin WP 20 (fentin hydroxide 20%)|Haitin WP 60 (fentin hydroxide 60%)|hidroxido de fentin|Hydroxyde de fentine|Hydroxyde de triphenyl-etain|Hydroxytriphenyl stannane|Hydroxytriphenylstannane|Hydroxytriphenyltin|Ida, Imc Flo-Tin 4L|Idrossido di stagno trifenile|NCI-C00260|NSC 113243|Phenostat-H|Sn(OH)Ph3|Stannane, hydroxytriphenyl-|Stannol, triphenyl-|Sunitron H|Super Tin 4L Gardian Flowable Fungicide|SuperTin|Tenhide|Tin, hydroxytriphenyl-|TPTH|Tpth Technical|Trifenyl-tinhydroxyde|Trifenylstanniumhydroxid|Triphenyl tin hydroxide|Triphenyl-zinnhydroxid|Triphenyl(hydroxo)stannane|Triphenylhydroxytin|Triphenylstannanol|Triphenyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021409 https://doi.org/10.22427/NTP-DATA-DTXSID1021409
ERPathway2016 ERPathway2016_550 Triphenyltin hydroxide 76-87-9 DTXSID1021409 R9 ER Pathway Model, Antagonist Model Score 0 Unitless O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Triphenyltin hydroxide 76-87-9|Triphenyltin hydroxide|[Sn(OH)Ph3]|Brestan H 47.5 WP fungicide|BRN 4139186|Caswell No. 896E|Du-Ter Fungicide|Du-Ter Fungicide Wettable Powder|Du-Ter PB-47 Fungicide|Du-Ter W-50|Du-Tur Flowable-30|Duter extra|EINECS 200-990-6|EPA Pesticide Chemical Code 083601|Erithane|Fenolovo|Fentin Hydroxide|FENTIN-HYDROXID|Fentinhydroxid|Fintin hydroxid|Fintin hydroxyde|Fintin idrossido|Fintine hydroxide|Fintine hydroxyde|Haitin WP 20 (fentin hydroxide 20%)|Haitin WP 60 (fentin hydroxide 60%)|hidroxido de fentin|Hydroxyde de fentine|Hydroxyde de triphenyl-etain|Hydroxytriphenyl stannane|Hydroxytriphenylstannane|Hydroxytriphenyltin|Ida, Imc Flo-Tin 4L|Idrossido di stagno trifenile|NCI-C00260|NSC 113243|Phenostat-H|Sn(OH)Ph3|Stannane, hydroxytriphenyl-|Stannol, triphenyl-|Sunitron H|Super Tin 4L Gardian Flowable Fungicide|SuperTin|Tenhide|Tin, hydroxytriphenyl-|TPTH|Tpth Technical|Trifenyl-tinhydroxyde|Trifenylstanniumhydroxid|Triphenyl tin hydroxide|Triphenyl-zinnhydroxid|Triphenyl(hydroxo)stannane|Triphenylhydroxytin|Triphenylstannanol|Triphenyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021409 https://doi.org/10.22427/NTP-DATA-DTXSID1021409
ERPathway2016 ERPathway2016_550 Triphenyltin hydroxide 76-87-9 DTXSID1021409 R9 ER Pathway Model, Agonist Call Inactive Unitless O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Triphenyltin hydroxide 76-87-9|Triphenyltin hydroxide|[Sn(OH)Ph3]|Brestan H 47.5 WP fungicide|BRN 4139186|Caswell No. 896E|Du-Ter Fungicide|Du-Ter Fungicide Wettable Powder|Du-Ter PB-47 Fungicide|Du-Ter W-50|Du-Tur Flowable-30|Duter extra|EINECS 200-990-6|EPA Pesticide Chemical Code 083601|Erithane|Fenolovo|Fentin Hydroxide|FENTIN-HYDROXID|Fentinhydroxid|Fintin hydroxid|Fintin hydroxyde|Fintin idrossido|Fintine hydroxide|Fintine hydroxyde|Haitin WP 20 (fentin hydroxide 20%)|Haitin WP 60 (fentin hydroxide 60%)|hidroxido de fentin|Hydroxyde de fentine|Hydroxyde de triphenyl-etain|Hydroxytriphenyl stannane|Hydroxytriphenylstannane|Hydroxytriphenyltin|Ida, Imc Flo-Tin 4L|Idrossido di stagno trifenile|NCI-C00260|NSC 113243|Phenostat-H|Sn(OH)Ph3|Stannane, hydroxytriphenyl-|Stannol, triphenyl-|Sunitron H|Super Tin 4L Gardian Flowable Fungicide|SuperTin|Tenhide|Tin, hydroxytriphenyl-|TPTH|Tpth Technical|Trifenyl-tinhydroxyde|Trifenylstanniumhydroxid|Triphenyl tin hydroxide|Triphenyl-zinnhydroxid|Triphenyl(hydroxo)stannane|Triphenylhydroxytin|Triphenylstannanol|Triphenyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021409 https://doi.org/10.22427/NTP-DATA-DTXSID1021409
ERPathway2016 ERPathway2016_550 Triphenyltin hydroxide 76-87-9 DTXSID1021409 R9 ER Pathway Model, Antagonist Call Inactive Unitless O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 Triphenyltin hydroxide 76-87-9|Triphenyltin hydroxide|[Sn(OH)Ph3]|Brestan H 47.5 WP fungicide|BRN 4139186|Caswell No. 896E|Du-Ter Fungicide|Du-Ter Fungicide Wettable Powder|Du-Ter PB-47 Fungicide|Du-Ter W-50|Du-Tur Flowable-30|Duter extra|EINECS 200-990-6|EPA Pesticide Chemical Code 083601|Erithane|Fenolovo|Fentin Hydroxide|FENTIN-HYDROXID|Fentinhydroxid|Fintin hydroxid|Fintin hydroxyde|Fintin idrossido|Fintine hydroxide|Fintine hydroxyde|Haitin WP 20 (fentin hydroxide 20%)|Haitin WP 60 (fentin hydroxide 60%)|hidroxido de fentin|Hydroxyde de fentine|Hydroxyde de triphenyl-etain|Hydroxytriphenyl stannane|Hydroxytriphenylstannane|Hydroxytriphenyltin|Ida, Imc Flo-Tin 4L|Idrossido di stagno trifenile|NCI-C00260|NSC 113243|Phenostat-H|Sn(OH)Ph3|Stannane, hydroxytriphenyl-|Stannol, triphenyl-|Sunitron H|Super Tin 4L Gardian Flowable Fungicide|SuperTin|Tenhide|Tin, hydroxytriphenyl-|TPTH|Tpth Technical|Trifenyl-tinhydroxyde|Trifenylstanniumhydroxid|Triphenyl tin hydroxide|Triphenyl-zinnhydroxid|Triphenyl(hydroxo)stannane|Triphenylhydroxytin|Triphenylstannanol|Triphenyl https://comptox.epa.gov/dashboard/chemical/details/DTXSID1021409 https://doi.org/10.22427/NTP-DATA-DTXSID1021409
ARPathway2016 ARPathway2016_1041 Tripropylene glycol 24800-44-0 DTXSID7027837 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless C*.C*.C*.OCCOCCOCCO |lp:6:2,9:2,12:2,15:2,m:1:13.14,3:11.10,5:8.7| Tripropylene glycol 24800-44-0|Tripropylene glycol|((Methylethylene)bis(oxy))dipropanol|[(1-Methyl-1,2-ethanediyl)bis(oxy)]bispropanol|[(methylethylene)bis(oxy)]dipropanol|2-(2-(2-Hydroxypropoxy)propoxy)-1-propanol|BRN 2235421|EC No.: 246-466-0|EINECS 246-466-0|PROPANOL, ((1-METHYL-1,2-ETHANEDIYL)BIS(OXY))BIS-|Propanol, [(1- methyl- 1, 2- ethanediyl) bis(oxy) ] bis-|Propanol, [(1-methyl-1,2-ethanediyl)bis(oxy)bis-|T 0651|TPG-H|trimethyl-4,7-dioxadecane-1,10-diol|TRIPROPYLENE, GLYCOL|1293291-02-7|204838-67-5|205178-76-3|25323-34-6|32053-02-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027837 https://doi.org/10.22427/NTP-DATA-DTXSID7027837
ARPathway2016 ARPathway2016_1041 Tripropylene glycol 24800-44-0 DTXSID7027837 0.0 AR Pathway Model, Agonist Model Score 0 Unitless C*.C*.C*.OCCOCCOCCO |lp:6:2,9:2,12:2,15:2,m:1:13.14,3:11.10,5:8.7| Tripropylene glycol 24800-44-0|Tripropylene glycol|((Methylethylene)bis(oxy))dipropanol|[(1-Methyl-1,2-ethanediyl)bis(oxy)]bispropanol|[(methylethylene)bis(oxy)]dipropanol|2-(2-(2-Hydroxypropoxy)propoxy)-1-propanol|BRN 2235421|EC No.: 246-466-0|EINECS 246-466-0|PROPANOL, ((1-METHYL-1,2-ETHANEDIYL)BIS(OXY))BIS-|Propanol, [(1- methyl- 1, 2- ethanediyl) bis(oxy) ] bis-|Propanol, [(1-methyl-1,2-ethanediyl)bis(oxy)bis-|T 0651|TPG-H|trimethyl-4,7-dioxadecane-1,10-diol|TRIPROPYLENE, GLYCOL|1293291-02-7|204838-67-5|205178-76-3|25323-34-6|32053-02-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027837 https://doi.org/10.22427/NTP-DATA-DTXSID7027837
ARPathway2016 ARPathway2016_1041 Tripropylene glycol 24800-44-0 DTXSID7027837 0.0 AR Pathway Model, Agonist Call Inactive Unitless C*.C*.C*.OCCOCCOCCO |lp:6:2,9:2,12:2,15:2,m:1:13.14,3:11.10,5:8.7| Tripropylene glycol 24800-44-0|Tripropylene glycol|((Methylethylene)bis(oxy))dipropanol|[(1-Methyl-1,2-ethanediyl)bis(oxy)]bispropanol|[(methylethylene)bis(oxy)]dipropanol|2-(2-(2-Hydroxypropoxy)propoxy)-1-propanol|BRN 2235421|EC No.: 246-466-0|EINECS 246-466-0|PROPANOL, ((1-METHYL-1,2-ETHANEDIYL)BIS(OXY))BIS-|Propanol, [(1- methyl- 1, 2- ethanediyl) bis(oxy) ] bis-|Propanol, [(1-methyl-1,2-ethanediyl)bis(oxy)bis-|T 0651|TPG-H|trimethyl-4,7-dioxadecane-1,10-diol|TRIPROPYLENE, GLYCOL|1293291-02-7|204838-67-5|205178-76-3|25323-34-6|32053-02-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027837 https://doi.org/10.22427/NTP-DATA-DTXSID7027837
ARPathway2016 ARPathway2016_1041 Tripropylene glycol 24800-44-0 DTXSID7027837 0.0 AR Pathway Model, Antagonist Call Inactive Unitless C*.C*.C*.OCCOCCOCCO |lp:6:2,9:2,12:2,15:2,m:1:13.14,3:11.10,5:8.7| Tripropylene glycol 24800-44-0|Tripropylene glycol|((Methylethylene)bis(oxy))dipropanol|[(1-Methyl-1,2-ethanediyl)bis(oxy)]bispropanol|[(methylethylene)bis(oxy)]dipropanol|2-(2-(2-Hydroxypropoxy)propoxy)-1-propanol|BRN 2235421|EC No.: 246-466-0|EINECS 246-466-0|PROPANOL, ((1-METHYL-1,2-ETHANEDIYL)BIS(OXY))BIS-|Propanol, [(1- methyl- 1, 2- ethanediyl) bis(oxy) ] bis-|Propanol, [(1-methyl-1,2-ethanediyl)bis(oxy)bis-|T 0651|TPG-H|trimethyl-4,7-dioxadecane-1,10-diol|TRIPROPYLENE, GLYCOL|1293291-02-7|204838-67-5|205178-76-3|25323-34-6|32053-02-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027837 https://doi.org/10.22427/NTP-DATA-DTXSID7027837
ERPathway2016 ERPathway2016_1399 Tripropylene glycol 24800-44-0 DTXSID7027837 ER Pathway Model, Agonist Model Score 0 Unitless C*.C*.C*.OCCOCCOCCO |lp:6:2,9:2,12:2,15:2,m:1:13.14,3:11.10,5:8.7| Tripropylene glycol 24800-44-0|Tripropylene glycol|((Methylethylene)bis(oxy))dipropanol|[(1-Methyl-1,2-ethanediyl)bis(oxy)]bispropanol|[(methylethylene)bis(oxy)]dipropanol|2-(2-(2-Hydroxypropoxy)propoxy)-1-propanol|BRN 2235421|EC No.: 246-466-0|EINECS 246-466-0|PROPANOL, ((1-METHYL-1,2-ETHANEDIYL)BIS(OXY))BIS-|Propanol, [(1- methyl- 1, 2- ethanediyl) bis(oxy) ] bis-|Propanol, [(1-methyl-1,2-ethanediyl)bis(oxy)bis-|T 0651|TPG-H|trimethyl-4,7-dioxadecane-1,10-diol|TRIPROPYLENE, GLYCOL|1293291-02-7|204838-67-5|205178-76-3|25323-34-6|32053-02-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027837 https://doi.org/10.22427/NTP-DATA-DTXSID7027837
ERPathway2016 ERPathway2016_1399 Tripropylene glycol 24800-44-0 DTXSID7027837 ER Pathway Model, Antagonist Model Score 0 Unitless C*.C*.C*.OCCOCCOCCO |lp:6:2,9:2,12:2,15:2,m:1:13.14,3:11.10,5:8.7| Tripropylene glycol 24800-44-0|Tripropylene glycol|((Methylethylene)bis(oxy))dipropanol|[(1-Methyl-1,2-ethanediyl)bis(oxy)]bispropanol|[(methylethylene)bis(oxy)]dipropanol|2-(2-(2-Hydroxypropoxy)propoxy)-1-propanol|BRN 2235421|EC No.: 246-466-0|EINECS 246-466-0|PROPANOL, ((1-METHYL-1,2-ETHANEDIYL)BIS(OXY))BIS-|Propanol, [(1- methyl- 1, 2- ethanediyl) bis(oxy) ] bis-|Propanol, [(1-methyl-1,2-ethanediyl)bis(oxy)bis-|T 0651|TPG-H|trimethyl-4,7-dioxadecane-1,10-diol|TRIPROPYLENE, GLYCOL|1293291-02-7|204838-67-5|205178-76-3|25323-34-6|32053-02-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027837 https://doi.org/10.22427/NTP-DATA-DTXSID7027837
ERPathway2016 ERPathway2016_1399 Tripropylene glycol 24800-44-0 DTXSID7027837 ER Pathway Model, Agonist Call Inactive Unitless C*.C*.C*.OCCOCCOCCO |lp:6:2,9:2,12:2,15:2,m:1:13.14,3:11.10,5:8.7| Tripropylene glycol 24800-44-0|Tripropylene glycol|((Methylethylene)bis(oxy))dipropanol|[(1-Methyl-1,2-ethanediyl)bis(oxy)]bispropanol|[(methylethylene)bis(oxy)]dipropanol|2-(2-(2-Hydroxypropoxy)propoxy)-1-propanol|BRN 2235421|EC No.: 246-466-0|EINECS 246-466-0|PROPANOL, ((1-METHYL-1,2-ETHANEDIYL)BIS(OXY))BIS-|Propanol, [(1- methyl- 1, 2- ethanediyl) bis(oxy) ] bis-|Propanol, [(1-methyl-1,2-ethanediyl)bis(oxy)bis-|T 0651|TPG-H|trimethyl-4,7-dioxadecane-1,10-diol|TRIPROPYLENE, GLYCOL|1293291-02-7|204838-67-5|205178-76-3|25323-34-6|32053-02-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027837 https://doi.org/10.22427/NTP-DATA-DTXSID7027837
ERPathway2016 ERPathway2016_1399 Tripropylene glycol 24800-44-0 DTXSID7027837 ER Pathway Model, Antagonist Call Inactive Unitless C*.C*.C*.OCCOCCOCCO |lp:6:2,9:2,12:2,15:2,m:1:13.14,3:11.10,5:8.7| Tripropylene glycol 24800-44-0|Tripropylene glycol|((Methylethylene)bis(oxy))dipropanol|[(1-Methyl-1,2-ethanediyl)bis(oxy)]bispropanol|[(methylethylene)bis(oxy)]dipropanol|2-(2-(2-Hydroxypropoxy)propoxy)-1-propanol|BRN 2235421|EC No.: 246-466-0|EINECS 246-466-0|PROPANOL, ((1-METHYL-1,2-ETHANEDIYL)BIS(OXY))BIS-|Propanol, [(1- methyl- 1, 2- ethanediyl) bis(oxy) ] bis-|Propanol, [(1-methyl-1,2-ethanediyl)bis(oxy)bis-|T 0651|TPG-H|trimethyl-4,7-dioxadecane-1,10-diol|TRIPROPYLENE, GLYCOL|1293291-02-7|204838-67-5|205178-76-3|25323-34-6|32053-02-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027837 https://doi.org/10.22427/NTP-DATA-DTXSID7027837
ARPathway2016 ARPathway2016_1328 Tripropylene glycol butyl ether 55934-93-5 DTXSID8042503 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(CC)OC(C)COC(O)CC Tripropylene glycol butyl ether 55934-93-5|Tripropylene glycol butyl ether|Dowanol TPnB|EINECS 259-910-3|Propanol, [2-(2-butoxymethylethoxy)methylethoxy]-|UNII-K0N34Z34O8|116357-06-3|96733-38-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042503
ARPathway2016 ARPathway2016_1328 Tripropylene glycol butyl ether 55934-93-5 DTXSID8042503 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOC(CC)OC(C)COC(O)CC Tripropylene glycol butyl ether 55934-93-5|Tripropylene glycol butyl ether|Dowanol TPnB|EINECS 259-910-3|Propanol, [2-(2-butoxymethylethoxy)methylethoxy]-|UNII-K0N34Z34O8|116357-06-3|96733-38-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042503
ARPathway2016 ARPathway2016_1328 Tripropylene glycol butyl ether 55934-93-5 DTXSID8042503 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOC(CC)OC(C)COC(O)CC Tripropylene glycol butyl ether 55934-93-5|Tripropylene glycol butyl ether|Dowanol TPnB|EINECS 259-910-3|Propanol, [2-(2-butoxymethylethoxy)methylethoxy]-|UNII-K0N34Z34O8|116357-06-3|96733-38-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042503
ARPathway2016 ARPathway2016_1328 Tripropylene glycol butyl ether 55934-93-5 DTXSID8042503 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOC(CC)OC(C)COC(O)CC Tripropylene glycol butyl ether 55934-93-5|Tripropylene glycol butyl ether|Dowanol TPnB|EINECS 259-910-3|Propanol, [2-(2-butoxymethylethoxy)methylethoxy]-|UNII-K0N34Z34O8|116357-06-3|96733-38-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042503
ERPathway2016 ERPathway2016_1539 Tripropylene glycol butyl ether 55934-93-5 DTXSID8042503 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOC(CC)OC(C)COC(O)CC Tripropylene glycol butyl ether 55934-93-5|Tripropylene glycol butyl ether|Dowanol TPnB|EINECS 259-910-3|Propanol, [2-(2-butoxymethylethoxy)methylethoxy]-|UNII-K0N34Z34O8|116357-06-3|96733-38-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042503
ERPathway2016 ERPathway2016_1539 Tripropylene glycol butyl ether 55934-93-5 DTXSID8042503 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOC(CC)OC(C)COC(O)CC Tripropylene glycol butyl ether 55934-93-5|Tripropylene glycol butyl ether|Dowanol TPnB|EINECS 259-910-3|Propanol, [2-(2-butoxymethylethoxy)methylethoxy]-|UNII-K0N34Z34O8|116357-06-3|96733-38-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042503
ERPathway2016 ERPathway2016_1539 Tripropylene glycol butyl ether 55934-93-5 DTXSID8042503 ER Pathway Model, Agonist Call Inactive Unitless CCCCOC(CC)OC(C)COC(O)CC Tripropylene glycol butyl ether 55934-93-5|Tripropylene glycol butyl ether|Dowanol TPnB|EINECS 259-910-3|Propanol, [2-(2-butoxymethylethoxy)methylethoxy]-|UNII-K0N34Z34O8|116357-06-3|96733-38-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042503
ERPathway2016 ERPathway2016_1539 Tripropylene glycol butyl ether 55934-93-5 DTXSID8042503 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOC(CC)OC(C)COC(O)CC Tripropylene glycol butyl ether 55934-93-5|Tripropylene glycol butyl ether|Dowanol TPnB|EINECS 259-910-3|Propanol, [2-(2-butoxymethylethoxy)methylethoxy]-|UNII-K0N34Z34O8|116357-06-3|96733-38-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8042503
ARPathway2016 ARPathway2016_1055 Tripropylene glycol monomethyl ether 25498-49-1 DTXSID2029329 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless Tripropylene glycol monomethyl ether 25498-49-1|Tripropylene glycol monomethyl ether|Arcosolv TPM|Dowanol TPM|Dowfroth 200|EINECS 247-045-4|O-Methyltripropylene glycol|Propanol, [2-(2-methoxymethylethoxy)methylethoxy]-|Tripropylenglykolmonomethylether|UNII-1827NY57O3|11099-65-3|12002-24-3|1338-53-0|190085-44-0|29699-26-1|30373-82-1|37334-96-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029329
ARPathway2016 ARPathway2016_1055 Tripropylene glycol monomethyl ether 25498-49-1 DTXSID2029329 0.0 AR Pathway Model, Agonist Model Score 0 Unitless Tripropylene glycol monomethyl ether 25498-49-1|Tripropylene glycol monomethyl ether|Arcosolv TPM|Dowanol TPM|Dowfroth 200|EINECS 247-045-4|O-Methyltripropylene glycol|Propanol, [2-(2-methoxymethylethoxy)methylethoxy]-|Tripropylenglykolmonomethylether|UNII-1827NY57O3|11099-65-3|12002-24-3|1338-53-0|190085-44-0|29699-26-1|30373-82-1|37334-96-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029329
ARPathway2016 ARPathway2016_1055 Tripropylene glycol monomethyl ether 25498-49-1 DTXSID2029329 0.0 AR Pathway Model, Agonist Call Inactive Unitless Tripropylene glycol monomethyl ether 25498-49-1|Tripropylene glycol monomethyl ether|Arcosolv TPM|Dowanol TPM|Dowfroth 200|EINECS 247-045-4|O-Methyltripropylene glycol|Propanol, [2-(2-methoxymethylethoxy)methylethoxy]-|Tripropylenglykolmonomethylether|UNII-1827NY57O3|11099-65-3|12002-24-3|1338-53-0|190085-44-0|29699-26-1|30373-82-1|37334-96-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029329
ARPathway2016 ARPathway2016_1055 Tripropylene glycol monomethyl ether 25498-49-1 DTXSID2029329 0.0 AR Pathway Model, Antagonist Call Inactive Unitless Tripropylene glycol monomethyl ether 25498-49-1|Tripropylene glycol monomethyl ether|Arcosolv TPM|Dowanol TPM|Dowfroth 200|EINECS 247-045-4|O-Methyltripropylene glycol|Propanol, [2-(2-methoxymethylethoxy)methylethoxy]-|Tripropylenglykolmonomethylether|UNII-1827NY57O3|11099-65-3|12002-24-3|1338-53-0|190085-44-0|29699-26-1|30373-82-1|37334-96-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029329
ERPathway2016 ERPathway2016_1406 Tripropylene glycol monomethyl ether 25498-49-1 DTXSID2029329 ER Pathway Model, Agonist Model Score 0 Unitless Tripropylene glycol monomethyl ether 25498-49-1|Tripropylene glycol monomethyl ether|Arcosolv TPM|Dowanol TPM|Dowfroth 200|EINECS 247-045-4|O-Methyltripropylene glycol|Propanol, [2-(2-methoxymethylethoxy)methylethoxy]-|Tripropylenglykolmonomethylether|UNII-1827NY57O3|11099-65-3|12002-24-3|1338-53-0|190085-44-0|29699-26-1|30373-82-1|37334-96-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029329
ERPathway2016 ERPathway2016_1406 Tripropylene glycol monomethyl ether 25498-49-1 DTXSID2029329 ER Pathway Model, Antagonist Model Score 0 Unitless Tripropylene glycol monomethyl ether 25498-49-1|Tripropylene glycol monomethyl ether|Arcosolv TPM|Dowanol TPM|Dowfroth 200|EINECS 247-045-4|O-Methyltripropylene glycol|Propanol, [2-(2-methoxymethylethoxy)methylethoxy]-|Tripropylenglykolmonomethylether|UNII-1827NY57O3|11099-65-3|12002-24-3|1338-53-0|190085-44-0|29699-26-1|30373-82-1|37334-96-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029329
ERPathway2016 ERPathway2016_1406 Tripropylene glycol monomethyl ether 25498-49-1 DTXSID2029329 ER Pathway Model, Agonist Call Inactive Unitless Tripropylene glycol monomethyl ether 25498-49-1|Tripropylene glycol monomethyl ether|Arcosolv TPM|Dowanol TPM|Dowfroth 200|EINECS 247-045-4|O-Methyltripropylene glycol|Propanol, [2-(2-methoxymethylethoxy)methylethoxy]-|Tripropylenglykolmonomethylether|UNII-1827NY57O3|11099-65-3|12002-24-3|1338-53-0|190085-44-0|29699-26-1|30373-82-1|37334-96-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029329
ERPathway2016 ERPathway2016_1406 Tripropylene glycol monomethyl ether 25498-49-1 DTXSID2029329 ER Pathway Model, Antagonist Call Inactive Unitless Tripropylene glycol monomethyl ether 25498-49-1|Tripropylene glycol monomethyl ether|Arcosolv TPM|Dowanol TPM|Dowfroth 200|EINECS 247-045-4|O-Methyltripropylene glycol|Propanol, [2-(2-methoxymethylethoxy)methylethoxy]-|Tripropylenglykolmonomethylether|UNII-1827NY57O3|11099-65-3|12002-24-3|1338-53-0|190085-44-0|29699-26-1|30373-82-1|37334-96-6 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2029329
ARPathway2016 ARPathway2016_67 Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8 DTXSID9026261 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 24.63522325 uM ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8|Tris(1,3-dichloro-2-propyl) phosphate|2-Propanol, 1,3-dichloro-, 2,2',2''-phosphate|2-Propanol, 1,3-dichloro-, phosphate (3:1)|3-01-00-01473|3PC-R|Antiblaze 195|Antiblaze WR 30LV|BRN 1715458|CRP|CRP (fireproofing agent)|EC No.: 237-159-2|EINECS 237-159-2|Emulsion 212|Fosforan troj-(1,3-dwuchloroizopropylowy)|FR 10|FR 10 (phosphate)|Fyrol FR 2|PF 38/3|Phosphoric acid, tris(1,3-dichloro-2-propyl) ester|TDCPP|Tri(1,3-dichloroisopropyl) phosphate|Tri(beta,beta'-dichloroisopropyl)phosphate|Tris(1-chloromethyl-2-chloroethyl)phosphate|Tris(1,3-dichloroisopropyl) phosphate|Tris(1,3-dichloroisopropyl)phosphate|tris(1,3-dichloropropan-2-yl) phosphate|Tris(2-chloro-1-(chloromethyl)ethyl)phosphate|Tris[2-chloro-1-(chloromethyl)ethyl] phosphate|tris[2-chloro-1-chloromethyl)ethyl] phosphate|UNII-B1PRV4G0T0|WR 30LV|1425202-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026261 https://doi.org/10.22427/NTP-DATA-DTXSID9026261
ARPathway2016 ARPathway2016_67 Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8 DTXSID9026261 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 24.92146173 uM ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8|Tris(1,3-dichloro-2-propyl) phosphate|2-Propanol, 1,3-dichloro-, 2,2',2''-phosphate|2-Propanol, 1,3-dichloro-, phosphate (3:1)|3-01-00-01473|3PC-R|Antiblaze 195|Antiblaze WR 30LV|BRN 1715458|CRP|CRP (fireproofing agent)|EC No.: 237-159-2|EINECS 237-159-2|Emulsion 212|Fosforan troj-(1,3-dwuchloroizopropylowy)|FR 10|FR 10 (phosphate)|Fyrol FR 2|PF 38/3|Phosphoric acid, tris(1,3-dichloro-2-propyl) ester|TDCPP|Tri(1,3-dichloroisopropyl) phosphate|Tri(beta,beta'-dichloroisopropyl)phosphate|Tris(1-chloromethyl-2-chloroethyl)phosphate|Tris(1,3-dichloroisopropyl) phosphate|Tris(1,3-dichloroisopropyl)phosphate|tris(1,3-dichloropropan-2-yl) phosphate|Tris(2-chloro-1-(chloromethyl)ethyl)phosphate|Tris[2-chloro-1-(chloromethyl)ethyl] phosphate|tris[2-chloro-1-chloromethyl)ethyl] phosphate|UNII-B1PRV4G0T0|WR 30LV|1425202-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026261 https://doi.org/10.22427/NTP-DATA-DTXSID9026261
ARPathway2016 ARPathway2016_67 Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8 DTXSID9026261 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.29 Unitless ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8|Tris(1,3-dichloro-2-propyl) phosphate|2-Propanol, 1,3-dichloro-, 2,2',2''-phosphate|2-Propanol, 1,3-dichloro-, phosphate (3:1)|3-01-00-01473|3PC-R|Antiblaze 195|Antiblaze WR 30LV|BRN 1715458|CRP|CRP (fireproofing agent)|EC No.: 237-159-2|EINECS 237-159-2|Emulsion 212|Fosforan troj-(1,3-dwuchloroizopropylowy)|FR 10|FR 10 (phosphate)|Fyrol FR 2|PF 38/3|Phosphoric acid, tris(1,3-dichloro-2-propyl) ester|TDCPP|Tri(1,3-dichloroisopropyl) phosphate|Tri(beta,beta'-dichloroisopropyl)phosphate|Tris(1-chloromethyl-2-chloroethyl)phosphate|Tris(1,3-dichloroisopropyl) phosphate|Tris(1,3-dichloroisopropyl)phosphate|tris(1,3-dichloropropan-2-yl) phosphate|Tris(2-chloro-1-(chloromethyl)ethyl)phosphate|Tris[2-chloro-1-(chloromethyl)ethyl] phosphate|tris[2-chloro-1-chloromethyl)ethyl] phosphate|UNII-B1PRV4G0T0|WR 30LV|1425202-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026261 https://doi.org/10.22427/NTP-DATA-DTXSID9026261
ARPathway2016 ARPathway2016_67 Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8 DTXSID9026261 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8|Tris(1,3-dichloro-2-propyl) phosphate|2-Propanol, 1,3-dichloro-, 2,2',2''-phosphate|2-Propanol, 1,3-dichloro-, phosphate (3:1)|3-01-00-01473|3PC-R|Antiblaze 195|Antiblaze WR 30LV|BRN 1715458|CRP|CRP (fireproofing agent)|EC No.: 237-159-2|EINECS 237-159-2|Emulsion 212|Fosforan troj-(1,3-dwuchloroizopropylowy)|FR 10|FR 10 (phosphate)|Fyrol FR 2|PF 38/3|Phosphoric acid, tris(1,3-dichloro-2-propyl) ester|TDCPP|Tri(1,3-dichloroisopropyl) phosphate|Tri(beta,beta'-dichloroisopropyl)phosphate|Tris(1-chloromethyl-2-chloroethyl)phosphate|Tris(1,3-dichloroisopropyl) phosphate|Tris(1,3-dichloroisopropyl)phosphate|tris(1,3-dichloropropan-2-yl) phosphate|Tris(2-chloro-1-(chloromethyl)ethyl)phosphate|Tris[2-chloro-1-(chloromethyl)ethyl] phosphate|tris[2-chloro-1-chloromethyl)ethyl] phosphate|UNII-B1PRV4G0T0|WR 30LV|1425202-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026261 https://doi.org/10.22427/NTP-DATA-DTXSID9026261
ARPathway2016 ARPathway2016_67 Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8 DTXSID9026261 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8|Tris(1,3-dichloro-2-propyl) phosphate|2-Propanol, 1,3-dichloro-, 2,2',2''-phosphate|2-Propanol, 1,3-dichloro-, phosphate (3:1)|3-01-00-01473|3PC-R|Antiblaze 195|Antiblaze WR 30LV|BRN 1715458|CRP|CRP (fireproofing agent)|EC No.: 237-159-2|EINECS 237-159-2|Emulsion 212|Fosforan troj-(1,3-dwuchloroizopropylowy)|FR 10|FR 10 (phosphate)|Fyrol FR 2|PF 38/3|Phosphoric acid, tris(1,3-dichloro-2-propyl) ester|TDCPP|Tri(1,3-dichloroisopropyl) phosphate|Tri(beta,beta'-dichloroisopropyl)phosphate|Tris(1-chloromethyl-2-chloroethyl)phosphate|Tris(1,3-dichloroisopropyl) phosphate|Tris(1,3-dichloroisopropyl)phosphate|tris(1,3-dichloropropan-2-yl) phosphate|Tris(2-chloro-1-(chloromethyl)ethyl)phosphate|Tris[2-chloro-1-(chloromethyl)ethyl] phosphate|tris[2-chloro-1-chloromethyl)ethyl] phosphate|UNII-B1PRV4G0T0|WR 30LV|1425202-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026261 https://doi.org/10.22427/NTP-DATA-DTXSID9026261
ARPathway2016 ARPathway2016_67 Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8 DTXSID9026261 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8|Tris(1,3-dichloro-2-propyl) phosphate|2-Propanol, 1,3-dichloro-, 2,2',2''-phosphate|2-Propanol, 1,3-dichloro-, phosphate (3:1)|3-01-00-01473|3PC-R|Antiblaze 195|Antiblaze WR 30LV|BRN 1715458|CRP|CRP (fireproofing agent)|EC No.: 237-159-2|EINECS 237-159-2|Emulsion 212|Fosforan troj-(1,3-dwuchloroizopropylowy)|FR 10|FR 10 (phosphate)|Fyrol FR 2|PF 38/3|Phosphoric acid, tris(1,3-dichloro-2-propyl) ester|TDCPP|Tri(1,3-dichloroisopropyl) phosphate|Tri(beta,beta'-dichloroisopropyl)phosphate|Tris(1-chloromethyl-2-chloroethyl)phosphate|Tris(1,3-dichloroisopropyl) phosphate|Tris(1,3-dichloroisopropyl)phosphate|tris(1,3-dichloropropan-2-yl) phosphate|Tris(2-chloro-1-(chloromethyl)ethyl)phosphate|Tris[2-chloro-1-(chloromethyl)ethyl] phosphate|tris[2-chloro-1-chloromethyl)ethyl] phosphate|UNII-B1PRV4G0T0|WR 30LV|1425202-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026261 https://doi.org/10.22427/NTP-DATA-DTXSID9026261
ERPathway2016 ERPathway2016_666 Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8 DTXSID9026261 ER Pathway Model, Agonist Model Score 0 Unitless ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8|Tris(1,3-dichloro-2-propyl) phosphate|2-Propanol, 1,3-dichloro-, 2,2',2''-phosphate|2-Propanol, 1,3-dichloro-, phosphate (3:1)|3-01-00-01473|3PC-R|Antiblaze 195|Antiblaze WR 30LV|BRN 1715458|CRP|CRP (fireproofing agent)|EC No.: 237-159-2|EINECS 237-159-2|Emulsion 212|Fosforan troj-(1,3-dwuchloroizopropylowy)|FR 10|FR 10 (phosphate)|Fyrol FR 2|PF 38/3|Phosphoric acid, tris(1,3-dichloro-2-propyl) ester|TDCPP|Tri(1,3-dichloroisopropyl) phosphate|Tri(beta,beta'-dichloroisopropyl)phosphate|Tris(1-chloromethyl-2-chloroethyl)phosphate|Tris(1,3-dichloroisopropyl) phosphate|Tris(1,3-dichloroisopropyl)phosphate|tris(1,3-dichloropropan-2-yl) phosphate|Tris(2-chloro-1-(chloromethyl)ethyl)phosphate|Tris[2-chloro-1-(chloromethyl)ethyl] phosphate|tris[2-chloro-1-chloromethyl)ethyl] phosphate|UNII-B1PRV4G0T0|WR 30LV|1425202-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026261 https://doi.org/10.22427/NTP-DATA-DTXSID9026261
ERPathway2016 ERPathway2016_666 Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8 DTXSID9026261 ER Pathway Model, Antagonist Model Score 0 Unitless ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8|Tris(1,3-dichloro-2-propyl) phosphate|2-Propanol, 1,3-dichloro-, 2,2',2''-phosphate|2-Propanol, 1,3-dichloro-, phosphate (3:1)|3-01-00-01473|3PC-R|Antiblaze 195|Antiblaze WR 30LV|BRN 1715458|CRP|CRP (fireproofing agent)|EC No.: 237-159-2|EINECS 237-159-2|Emulsion 212|Fosforan troj-(1,3-dwuchloroizopropylowy)|FR 10|FR 10 (phosphate)|Fyrol FR 2|PF 38/3|Phosphoric acid, tris(1,3-dichloro-2-propyl) ester|TDCPP|Tri(1,3-dichloroisopropyl) phosphate|Tri(beta,beta'-dichloroisopropyl)phosphate|Tris(1-chloromethyl-2-chloroethyl)phosphate|Tris(1,3-dichloroisopropyl) phosphate|Tris(1,3-dichloroisopropyl)phosphate|tris(1,3-dichloropropan-2-yl) phosphate|Tris(2-chloro-1-(chloromethyl)ethyl)phosphate|Tris[2-chloro-1-(chloromethyl)ethyl] phosphate|tris[2-chloro-1-chloromethyl)ethyl] phosphate|UNII-B1PRV4G0T0|WR 30LV|1425202-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026261 https://doi.org/10.22427/NTP-DATA-DTXSID9026261
ERPathway2016 ERPathway2016_666 Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8 DTXSID9026261 ER Pathway Model, Agonist Call Inactive Unitless ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8|Tris(1,3-dichloro-2-propyl) phosphate|2-Propanol, 1,3-dichloro-, 2,2',2''-phosphate|2-Propanol, 1,3-dichloro-, phosphate (3:1)|3-01-00-01473|3PC-R|Antiblaze 195|Antiblaze WR 30LV|BRN 1715458|CRP|CRP (fireproofing agent)|EC No.: 237-159-2|EINECS 237-159-2|Emulsion 212|Fosforan troj-(1,3-dwuchloroizopropylowy)|FR 10|FR 10 (phosphate)|Fyrol FR 2|PF 38/3|Phosphoric acid, tris(1,3-dichloro-2-propyl) ester|TDCPP|Tri(1,3-dichloroisopropyl) phosphate|Tri(beta,beta'-dichloroisopropyl)phosphate|Tris(1-chloromethyl-2-chloroethyl)phosphate|Tris(1,3-dichloroisopropyl) phosphate|Tris(1,3-dichloroisopropyl)phosphate|tris(1,3-dichloropropan-2-yl) phosphate|Tris(2-chloro-1-(chloromethyl)ethyl)phosphate|Tris[2-chloro-1-(chloromethyl)ethyl] phosphate|tris[2-chloro-1-chloromethyl)ethyl] phosphate|UNII-B1PRV4G0T0|WR 30LV|1425202-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026261 https://doi.org/10.22427/NTP-DATA-DTXSID9026261
ERPathway2016 ERPathway2016_666 Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8 DTXSID9026261 ER Pathway Model, Antagonist Call Inactive Unitless ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl Tris(1,3-dichloro-2-propyl) phosphate 13674-87-8|Tris(1,3-dichloro-2-propyl) phosphate|2-Propanol, 1,3-dichloro-, 2,2',2''-phosphate|2-Propanol, 1,3-dichloro-, phosphate (3:1)|3-01-00-01473|3PC-R|Antiblaze 195|Antiblaze WR 30LV|BRN 1715458|CRP|CRP (fireproofing agent)|EC No.: 237-159-2|EINECS 237-159-2|Emulsion 212|Fosforan troj-(1,3-dwuchloroizopropylowy)|FR 10|FR 10 (phosphate)|Fyrol FR 2|PF 38/3|Phosphoric acid, tris(1,3-dichloro-2-propyl) ester|TDCPP|Tri(1,3-dichloroisopropyl) phosphate|Tri(beta,beta'-dichloroisopropyl)phosphate|Tris(1-chloromethyl-2-chloroethyl)phosphate|Tris(1,3-dichloroisopropyl) phosphate|Tris(1,3-dichloroisopropyl)phosphate|tris(1,3-dichloropropan-2-yl) phosphate|Tris(2-chloro-1-(chloromethyl)ethyl)phosphate|Tris[2-chloro-1-(chloromethyl)ethyl] phosphate|tris[2-chloro-1-chloromethyl)ethyl] phosphate|UNII-B1PRV4G0T0|WR 30LV|1425202-15-8 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026261 https://doi.org/10.22427/NTP-DATA-DTXSID9026261
ARPathway2016 ARPathway2016_46 Tris(2,3-dibromopropyl) phosphate 126-72-7 DTXSID5021413 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist AC50 20.8905199835431 uM BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr Tris(2,3-dibromopropyl) phosphate 126-72-7|Tris(2,3-dibromopropyl) phosphate|(2,3-Dibromopropyl) phosphate|1-Propanol, 2,3-dibromo-, 1,1',1''-phosphate|1-Propanol, 2,3-dibromo-, phosphate (3:1)|2,3-Dibromo-1-propanol phosphate|BRN 1915153|Bromkal P 67-6HP|EINECS 204-799-9|FireMaster LV-T 23P|FireMaster T 23|FireMaster T 23P|Firemaster T23P|Firemaster T23p-lv|Flacavon R|Flamex T 23P|Flammex AP|Flammex LV-T 23P|Flammex T 23P|fosfato de tris(2,3-dibromopropilo)|Fyrol HB 32|NCI-C03270|NSC 3240|Phoscon FR 150|Phoscon PE 60|Phoscon UF-S|Phosphate de tris(2,3-dibromopropyle)|Phosphoric acid, tris(2,3-dibromopropyl) ester|RCRA waste number U235|Tris (2,3-dibromopropyl) phosphate|Tris (VAN)|Tris-(2,3-dibromopropyl)-phosphate|TRIS-(2,3-DIBROMPROPYL)-PHOSPHAT|Tris-(2,3-dibrompropyl)fosfat|Tris-2,3-dibrompropyl ester kyseliny fosforecne|Tris(2,3-dibromopropyl) phosphoric acid ester|Tris(2,3-dibromopropyl)phosphate|Tris(2,3-dibrompropyl)phosphat|Tris(dibromopropyl)phosphate|Zetifex ZN|Zetofex ZN|1228931-66-5|1867-14-7|55962-48-6|68112-30-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021413 https://doi.org/10.22427/NTP-DATA-DTXSID5021413
ARPathway2016 ARPathway2016_46 Tris(2,3-dibromopropyl) phosphate 126-72-7 DTXSID5021413 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist ACC 14.34266202 uM BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr Tris(2,3-dibromopropyl) phosphate 126-72-7|Tris(2,3-dibromopropyl) phosphate|(2,3-Dibromopropyl) phosphate|1-Propanol, 2,3-dibromo-, 1,1',1''-phosphate|1-Propanol, 2,3-dibromo-, phosphate (3:1)|2,3-Dibromo-1-propanol phosphate|BRN 1915153|Bromkal P 67-6HP|EINECS 204-799-9|FireMaster LV-T 23P|FireMaster T 23|FireMaster T 23P|Firemaster T23P|Firemaster T23p-lv|Flacavon R|Flamex T 23P|Flammex AP|Flammex LV-T 23P|Flammex T 23P|fosfato de tris(2,3-dibromopropilo)|Fyrol HB 32|NCI-C03270|NSC 3240|Phoscon FR 150|Phoscon PE 60|Phoscon UF-S|Phosphate de tris(2,3-dibromopropyle)|Phosphoric acid, tris(2,3-dibromopropyl) ester|RCRA waste number U235|Tris (2,3-dibromopropyl) phosphate|Tris (VAN)|Tris-(2,3-dibromopropyl)-phosphate|TRIS-(2,3-DIBROMPROPYL)-PHOSPHAT|Tris-(2,3-dibrompropyl)fosfat|Tris-2,3-dibrompropyl ester kyseliny fosforecne|Tris(2,3-dibromopropyl) phosphoric acid ester|Tris(2,3-dibromopropyl)phosphate|Tris(2,3-dibrompropyl)phosphat|Tris(dibromopropyl)phosphate|Zetifex ZN|Zetofex ZN|1228931-66-5|1867-14-7|55962-48-6|68112-30-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021413 https://doi.org/10.22427/NTP-DATA-DTXSID5021413
ARPathway2016 ARPathway2016_46 Tris(2,3-dibromopropyl) phosphate 126-72-7 DTXSID5021413 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Model Score 0.194 Unitless BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr Tris(2,3-dibromopropyl) phosphate 126-72-7|Tris(2,3-dibromopropyl) phosphate|(2,3-Dibromopropyl) phosphate|1-Propanol, 2,3-dibromo-, 1,1',1''-phosphate|1-Propanol, 2,3-dibromo-, phosphate (3:1)|2,3-Dibromo-1-propanol phosphate|BRN 1915153|Bromkal P 67-6HP|EINECS 204-799-9|FireMaster LV-T 23P|FireMaster T 23|FireMaster T 23P|Firemaster T23P|Firemaster T23p-lv|Flacavon R|Flamex T 23P|Flammex AP|Flammex LV-T 23P|Flammex T 23P|fosfato de tris(2,3-dibromopropilo)|Fyrol HB 32|NCI-C03270|NSC 3240|Phoscon FR 150|Phoscon PE 60|Phoscon UF-S|Phosphate de tris(2,3-dibromopropyle)|Phosphoric acid, tris(2,3-dibromopropyl) ester|RCRA waste number U235|Tris (2,3-dibromopropyl) phosphate|Tris (VAN)|Tris-(2,3-dibromopropyl)-phosphate|TRIS-(2,3-DIBROMPROPYL)-PHOSPHAT|Tris-(2,3-dibrompropyl)fosfat|Tris-2,3-dibrompropyl ester kyseliny fosforecne|Tris(2,3-dibromopropyl) phosphoric acid ester|Tris(2,3-dibromopropyl)phosphate|Tris(2,3-dibrompropyl)phosphat|Tris(dibromopropyl)phosphate|Zetifex ZN|Zetofex ZN|1228931-66-5|1867-14-7|55962-48-6|68112-30-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021413 https://doi.org/10.22427/NTP-DATA-DTXSID5021413
ARPathway2016 ARPathway2016_46 Tris(2,3-dibromopropyl) phosphate 126-72-7 DTXSID5021413 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr Tris(2,3-dibromopropyl) phosphate 126-72-7|Tris(2,3-dibromopropyl) phosphate|(2,3-Dibromopropyl) phosphate|1-Propanol, 2,3-dibromo-, 1,1',1''-phosphate|1-Propanol, 2,3-dibromo-, phosphate (3:1)|2,3-Dibromo-1-propanol phosphate|BRN 1915153|Bromkal P 67-6HP|EINECS 204-799-9|FireMaster LV-T 23P|FireMaster T 23|FireMaster T 23P|Firemaster T23P|Firemaster T23p-lv|Flacavon R|Flamex T 23P|Flammex AP|Flammex LV-T 23P|Flammex T 23P|fosfato de tris(2,3-dibromopropilo)|Fyrol HB 32|NCI-C03270|NSC 3240|Phoscon FR 150|Phoscon PE 60|Phoscon UF-S|Phosphate de tris(2,3-dibromopropyle)|Phosphoric acid, tris(2,3-dibromopropyl) ester|RCRA waste number U235|Tris (2,3-dibromopropyl) phosphate|Tris (VAN)|Tris-(2,3-dibromopropyl)-phosphate|TRIS-(2,3-DIBROMPROPYL)-PHOSPHAT|Tris-(2,3-dibrompropyl)fosfat|Tris-2,3-dibrompropyl ester kyseliny fosforecne|Tris(2,3-dibromopropyl) phosphoric acid ester|Tris(2,3-dibromopropyl)phosphate|Tris(2,3-dibrompropyl)phosphat|Tris(dibromopropyl)phosphate|Zetifex ZN|Zetofex ZN|1228931-66-5|1867-14-7|55962-48-6|68112-30-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021413 https://doi.org/10.22427/NTP-DATA-DTXSID5021413
ARPathway2016 ARPathway2016_46 Tris(2,3-dibromopropyl) phosphate 126-72-7 DTXSID5021413 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Agonist Call Active Unitless BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr Tris(2,3-dibromopropyl) phosphate 126-72-7|Tris(2,3-dibromopropyl) phosphate|(2,3-Dibromopropyl) phosphate|1-Propanol, 2,3-dibromo-, 1,1',1''-phosphate|1-Propanol, 2,3-dibromo-, phosphate (3:1)|2,3-Dibromo-1-propanol phosphate|BRN 1915153|Bromkal P 67-6HP|EINECS 204-799-9|FireMaster LV-T 23P|FireMaster T 23|FireMaster T 23P|Firemaster T23P|Firemaster T23p-lv|Flacavon R|Flamex T 23P|Flammex AP|Flammex LV-T 23P|Flammex T 23P|fosfato de tris(2,3-dibromopropilo)|Fyrol HB 32|NCI-C03270|NSC 3240|Phoscon FR 150|Phoscon PE 60|Phoscon UF-S|Phosphate de tris(2,3-dibromopropyle)|Phosphoric acid, tris(2,3-dibromopropyl) ester|RCRA waste number U235|Tris (2,3-dibromopropyl) phosphate|Tris (VAN)|Tris-(2,3-dibromopropyl)-phosphate|TRIS-(2,3-DIBROMPROPYL)-PHOSPHAT|Tris-(2,3-dibrompropyl)fosfat|Tris-2,3-dibrompropyl ester kyseliny fosforecne|Tris(2,3-dibromopropyl) phosphoric acid ester|Tris(2,3-dibromopropyl)phosphate|Tris(2,3-dibrompropyl)phosphat|Tris(dibromopropyl)phosphate|Zetifex ZN|Zetofex ZN|1228931-66-5|1867-14-7|55962-48-6|68112-30-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021413 https://doi.org/10.22427/NTP-DATA-DTXSID5021413
ARPathway2016 ARPathway2016_46 Tris(2,3-dibromopropyl) phosphate 126-72-7 DTXSID5021413 True antagonist shift (Hit/Hit) 5.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr Tris(2,3-dibromopropyl) phosphate 126-72-7|Tris(2,3-dibromopropyl) phosphate|(2,3-Dibromopropyl) phosphate|1-Propanol, 2,3-dibromo-, 1,1',1''-phosphate|1-Propanol, 2,3-dibromo-, phosphate (3:1)|2,3-Dibromo-1-propanol phosphate|BRN 1915153|Bromkal P 67-6HP|EINECS 204-799-9|FireMaster LV-T 23P|FireMaster T 23|FireMaster T 23P|Firemaster T23P|Firemaster T23p-lv|Flacavon R|Flamex T 23P|Flammex AP|Flammex LV-T 23P|Flammex T 23P|fosfato de tris(2,3-dibromopropilo)|Fyrol HB 32|NCI-C03270|NSC 3240|Phoscon FR 150|Phoscon PE 60|Phoscon UF-S|Phosphate de tris(2,3-dibromopropyle)|Phosphoric acid, tris(2,3-dibromopropyl) ester|RCRA waste number U235|Tris (2,3-dibromopropyl) phosphate|Tris (VAN)|Tris-(2,3-dibromopropyl)-phosphate|TRIS-(2,3-DIBROMPROPYL)-PHOSPHAT|Tris-(2,3-dibrompropyl)fosfat|Tris-2,3-dibrompropyl ester kyseliny fosforecne|Tris(2,3-dibromopropyl) phosphoric acid ester|Tris(2,3-dibromopropyl)phosphate|Tris(2,3-dibrompropyl)phosphat|Tris(dibromopropyl)phosphate|Zetifex ZN|Zetofex ZN|1228931-66-5|1867-14-7|55962-48-6|68112-30-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021413 https://doi.org/10.22427/NTP-DATA-DTXSID5021413
ERPathway2016 ERPathway2016_680 Tris(2,3-dibromopropyl) phosphate 126-72-7 DTXSID5021413 ER Pathway Model, Agonist Model Score 0 Unitless BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr Tris(2,3-dibromopropyl) phosphate 126-72-7|Tris(2,3-dibromopropyl) phosphate|(2,3-Dibromopropyl) phosphate|1-Propanol, 2,3-dibromo-, 1,1',1''-phosphate|1-Propanol, 2,3-dibromo-, phosphate (3:1)|2,3-Dibromo-1-propanol phosphate|BRN 1915153|Bromkal P 67-6HP|EINECS 204-799-9|FireMaster LV-T 23P|FireMaster T 23|FireMaster T 23P|Firemaster T23P|Firemaster T23p-lv|Flacavon R|Flamex T 23P|Flammex AP|Flammex LV-T 23P|Flammex T 23P|fosfato de tris(2,3-dibromopropilo)|Fyrol HB 32|NCI-C03270|NSC 3240|Phoscon FR 150|Phoscon PE 60|Phoscon UF-S|Phosphate de tris(2,3-dibromopropyle)|Phosphoric acid, tris(2,3-dibromopropyl) ester|RCRA waste number U235|Tris (2,3-dibromopropyl) phosphate|Tris (VAN)|Tris-(2,3-dibromopropyl)-phosphate|TRIS-(2,3-DIBROMPROPYL)-PHOSPHAT|Tris-(2,3-dibrompropyl)fosfat|Tris-2,3-dibrompropyl ester kyseliny fosforecne|Tris(2,3-dibromopropyl) phosphoric acid ester|Tris(2,3-dibromopropyl)phosphate|Tris(2,3-dibrompropyl)phosphat|Tris(dibromopropyl)phosphate|Zetifex ZN|Zetofex ZN|1228931-66-5|1867-14-7|55962-48-6|68112-30-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021413 https://doi.org/10.22427/NTP-DATA-DTXSID5021413
ERPathway2016 ERPathway2016_680 Tris(2,3-dibromopropyl) phosphate 126-72-7 DTXSID5021413 ER Pathway Model, Antagonist Model Score 0 Unitless BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr Tris(2,3-dibromopropyl) phosphate 126-72-7|Tris(2,3-dibromopropyl) phosphate|(2,3-Dibromopropyl) phosphate|1-Propanol, 2,3-dibromo-, 1,1',1''-phosphate|1-Propanol, 2,3-dibromo-, phosphate (3:1)|2,3-Dibromo-1-propanol phosphate|BRN 1915153|Bromkal P 67-6HP|EINECS 204-799-9|FireMaster LV-T 23P|FireMaster T 23|FireMaster T 23P|Firemaster T23P|Firemaster T23p-lv|Flacavon R|Flamex T 23P|Flammex AP|Flammex LV-T 23P|Flammex T 23P|fosfato de tris(2,3-dibromopropilo)|Fyrol HB 32|NCI-C03270|NSC 3240|Phoscon FR 150|Phoscon PE 60|Phoscon UF-S|Phosphate de tris(2,3-dibromopropyle)|Phosphoric acid, tris(2,3-dibromopropyl) ester|RCRA waste number U235|Tris (2,3-dibromopropyl) phosphate|Tris (VAN)|Tris-(2,3-dibromopropyl)-phosphate|TRIS-(2,3-DIBROMPROPYL)-PHOSPHAT|Tris-(2,3-dibrompropyl)fosfat|Tris-2,3-dibrompropyl ester kyseliny fosforecne|Tris(2,3-dibromopropyl) phosphoric acid ester|Tris(2,3-dibromopropyl)phosphate|Tris(2,3-dibrompropyl)phosphat|Tris(dibromopropyl)phosphate|Zetifex ZN|Zetofex ZN|1228931-66-5|1867-14-7|55962-48-6|68112-30-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021413 https://doi.org/10.22427/NTP-DATA-DTXSID5021413
ERPathway2016 ERPathway2016_680 Tris(2,3-dibromopropyl) phosphate 126-72-7 DTXSID5021413 ER Pathway Model, Agonist Call Inactive Unitless BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr Tris(2,3-dibromopropyl) phosphate 126-72-7|Tris(2,3-dibromopropyl) phosphate|(2,3-Dibromopropyl) phosphate|1-Propanol, 2,3-dibromo-, 1,1',1''-phosphate|1-Propanol, 2,3-dibromo-, phosphate (3:1)|2,3-Dibromo-1-propanol phosphate|BRN 1915153|Bromkal P 67-6HP|EINECS 204-799-9|FireMaster LV-T 23P|FireMaster T 23|FireMaster T 23P|Firemaster T23P|Firemaster T23p-lv|Flacavon R|Flamex T 23P|Flammex AP|Flammex LV-T 23P|Flammex T 23P|fosfato de tris(2,3-dibromopropilo)|Fyrol HB 32|NCI-C03270|NSC 3240|Phoscon FR 150|Phoscon PE 60|Phoscon UF-S|Phosphate de tris(2,3-dibromopropyle)|Phosphoric acid, tris(2,3-dibromopropyl) ester|RCRA waste number U235|Tris (2,3-dibromopropyl) phosphate|Tris (VAN)|Tris-(2,3-dibromopropyl)-phosphate|TRIS-(2,3-DIBROMPROPYL)-PHOSPHAT|Tris-(2,3-dibrompropyl)fosfat|Tris-2,3-dibrompropyl ester kyseliny fosforecne|Tris(2,3-dibromopropyl) phosphoric acid ester|Tris(2,3-dibromopropyl)phosphate|Tris(2,3-dibrompropyl)phosphat|Tris(dibromopropyl)phosphate|Zetifex ZN|Zetofex ZN|1228931-66-5|1867-14-7|55962-48-6|68112-30-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021413 https://doi.org/10.22427/NTP-DATA-DTXSID5021413
ERPathway2016 ERPathway2016_680 Tris(2,3-dibromopropyl) phosphate 126-72-7 DTXSID5021413 ER Pathway Model, Antagonist Call Inactive Unitless BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr Tris(2,3-dibromopropyl) phosphate 126-72-7|Tris(2,3-dibromopropyl) phosphate|(2,3-Dibromopropyl) phosphate|1-Propanol, 2,3-dibromo-, 1,1',1''-phosphate|1-Propanol, 2,3-dibromo-, phosphate (3:1)|2,3-Dibromo-1-propanol phosphate|BRN 1915153|Bromkal P 67-6HP|EINECS 204-799-9|FireMaster LV-T 23P|FireMaster T 23|FireMaster T 23P|Firemaster T23P|Firemaster T23p-lv|Flacavon R|Flamex T 23P|Flammex AP|Flammex LV-T 23P|Flammex T 23P|fosfato de tris(2,3-dibromopropilo)|Fyrol HB 32|NCI-C03270|NSC 3240|Phoscon FR 150|Phoscon PE 60|Phoscon UF-S|Phosphate de tris(2,3-dibromopropyle)|Phosphoric acid, tris(2,3-dibromopropyl) ester|RCRA waste number U235|Tris (2,3-dibromopropyl) phosphate|Tris (VAN)|Tris-(2,3-dibromopropyl)-phosphate|TRIS-(2,3-DIBROMPROPYL)-PHOSPHAT|Tris-(2,3-dibrompropyl)fosfat|Tris-2,3-dibrompropyl ester kyseliny fosforecne|Tris(2,3-dibromopropyl) phosphoric acid ester|Tris(2,3-dibromopropyl)phosphate|Tris(2,3-dibrompropyl)phosphat|Tris(dibromopropyl)phosphate|Zetifex ZN|Zetofex ZN|1228931-66-5|1867-14-7|55962-48-6|68112-30-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021413 https://doi.org/10.22427/NTP-DATA-DTXSID5021413
ARPathway2016 ARPathway2016_126 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9 DTXSID4026262 FLAG: Antagonist shift, but CI overlap 2.0 AR Pathway Model, Agonist AC50 36.7597660852982 uM O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9|Tris(2,3-epoxypropyl)isocyanurate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-oxiranylmethyl)-|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-|1,3,5-Triglycidyl isocyanurate|1,3,5-Triglycidyl-s-triazinetrione|1,3,5-Triglycidylisocyanuric acid|Araldite PT 810|EINECS 219-514-3|N,N',N''-Triglycidyl isocyanurate|NSC 296934|s-Triazine-2,4,6(1H,3H,5H)-trione, tris(2,3-epoxypropyl)-|Tri(epoxypropyl)isocyanurate|Triglycidyl isocyanurate|Triglycidylisocyanurate|Tris(2-epoxypropyl) isocyanurate|Tris(2,3-epoxypropyl)isocyanurate|Tris(epoxypropyl) isocyanurate|Tris(epoxypropyl)isocyanurate|UNII-58P91Z020D|414867-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026262 https://doi.org/10.22427/NTP-DATA-DTXSID4026262
ARPathway2016 ARPathway2016_126 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9 DTXSID4026262 FLAG: Antagonist shift, but CI overlap 2.0 AR Pathway Model, Agonist ACC 50.01044455 uM O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9|Tris(2,3-epoxypropyl)isocyanurate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-oxiranylmethyl)-|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-|1,3,5-Triglycidyl isocyanurate|1,3,5-Triglycidyl-s-triazinetrione|1,3,5-Triglycidylisocyanuric acid|Araldite PT 810|EINECS 219-514-3|N,N',N''-Triglycidyl isocyanurate|NSC 296934|s-Triazine-2,4,6(1H,3H,5H)-trione, tris(2,3-epoxypropyl)-|Tri(epoxypropyl)isocyanurate|Triglycidyl isocyanurate|Triglycidylisocyanurate|Tris(2-epoxypropyl) isocyanurate|Tris(2,3-epoxypropyl)isocyanurate|Tris(epoxypropyl) isocyanurate|Tris(epoxypropyl)isocyanurate|UNII-58P91Z020D|414867-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026262 https://doi.org/10.22427/NTP-DATA-DTXSID4026262
ARPathway2016 ARPathway2016_126 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9 DTXSID4026262 FLAG: Antagonist shift, but CI overlap 2.0 AR Pathway Model, Antagonist Model Score 0.0206 Unitless O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9|Tris(2,3-epoxypropyl)isocyanurate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-oxiranylmethyl)-|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-|1,3,5-Triglycidyl isocyanurate|1,3,5-Triglycidyl-s-triazinetrione|1,3,5-Triglycidylisocyanuric acid|Araldite PT 810|EINECS 219-514-3|N,N',N''-Triglycidyl isocyanurate|NSC 296934|s-Triazine-2,4,6(1H,3H,5H)-trione, tris(2,3-epoxypropyl)-|Tri(epoxypropyl)isocyanurate|Triglycidyl isocyanurate|Triglycidylisocyanurate|Tris(2-epoxypropyl) isocyanurate|Tris(2,3-epoxypropyl)isocyanurate|Tris(epoxypropyl) isocyanurate|Tris(epoxypropyl)isocyanurate|UNII-58P91Z020D|414867-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026262 https://doi.org/10.22427/NTP-DATA-DTXSID4026262
ARPathway2016 ARPathway2016_126 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9 DTXSID4026262 FLAG: Antagonist shift, but CI overlap 2.0 AR Pathway Model, Agonist Model Score 0 Unitless O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9|Tris(2,3-epoxypropyl)isocyanurate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-oxiranylmethyl)-|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-|1,3,5-Triglycidyl isocyanurate|1,3,5-Triglycidyl-s-triazinetrione|1,3,5-Triglycidylisocyanuric acid|Araldite PT 810|EINECS 219-514-3|N,N',N''-Triglycidyl isocyanurate|NSC 296934|s-Triazine-2,4,6(1H,3H,5H)-trione, tris(2,3-epoxypropyl)-|Tri(epoxypropyl)isocyanurate|Triglycidyl isocyanurate|Triglycidylisocyanurate|Tris(2-epoxypropyl) isocyanurate|Tris(2,3-epoxypropyl)isocyanurate|Tris(epoxypropyl) isocyanurate|Tris(epoxypropyl)isocyanurate|UNII-58P91Z020D|414867-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026262 https://doi.org/10.22427/NTP-DATA-DTXSID4026262
ARPathway2016 ARPathway2016_126 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9 DTXSID4026262 FLAG: Antagonist shift, but CI overlap 2.0 AR Pathway Model, Agonist Call Active Unitless O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9|Tris(2,3-epoxypropyl)isocyanurate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-oxiranylmethyl)-|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-|1,3,5-Triglycidyl isocyanurate|1,3,5-Triglycidyl-s-triazinetrione|1,3,5-Triglycidylisocyanuric acid|Araldite PT 810|EINECS 219-514-3|N,N',N''-Triglycidyl isocyanurate|NSC 296934|s-Triazine-2,4,6(1H,3H,5H)-trione, tris(2,3-epoxypropyl)-|Tri(epoxypropyl)isocyanurate|Triglycidyl isocyanurate|Triglycidylisocyanurate|Tris(2-epoxypropyl) isocyanurate|Tris(2,3-epoxypropyl)isocyanurate|Tris(epoxypropyl) isocyanurate|Tris(epoxypropyl)isocyanurate|UNII-58P91Z020D|414867-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026262 https://doi.org/10.22427/NTP-DATA-DTXSID4026262
ARPathway2016 ARPathway2016_126 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9 DTXSID4026262 FLAG: Antagonist shift, but CI overlap 2.0 AR Pathway Model, Antagonist Call Inactive Unitless O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9|Tris(2,3-epoxypropyl)isocyanurate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-oxiranylmethyl)-|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-|1,3,5-Triglycidyl isocyanurate|1,3,5-Triglycidyl-s-triazinetrione|1,3,5-Triglycidylisocyanuric acid|Araldite PT 810|EINECS 219-514-3|N,N',N''-Triglycidyl isocyanurate|NSC 296934|s-Triazine-2,4,6(1H,3H,5H)-trione, tris(2,3-epoxypropyl)-|Tri(epoxypropyl)isocyanurate|Triglycidyl isocyanurate|Triglycidylisocyanurate|Tris(2-epoxypropyl) isocyanurate|Tris(2,3-epoxypropyl)isocyanurate|Tris(epoxypropyl) isocyanurate|Tris(epoxypropyl)isocyanurate|UNII-58P91Z020D|414867-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026262 https://doi.org/10.22427/NTP-DATA-DTXSID4026262
ERPathway2016 ERPathway2016_1397 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9 DTXSID4026262 ER Pathway Model, Agonist Model Score 0 Unitless O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9|Tris(2,3-epoxypropyl)isocyanurate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-oxiranylmethyl)-|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-|1,3,5-Triglycidyl isocyanurate|1,3,5-Triglycidyl-s-triazinetrione|1,3,5-Triglycidylisocyanuric acid|Araldite PT 810|EINECS 219-514-3|N,N',N''-Triglycidyl isocyanurate|NSC 296934|s-Triazine-2,4,6(1H,3H,5H)-trione, tris(2,3-epoxypropyl)-|Tri(epoxypropyl)isocyanurate|Triglycidyl isocyanurate|Triglycidylisocyanurate|Tris(2-epoxypropyl) isocyanurate|Tris(2,3-epoxypropyl)isocyanurate|Tris(epoxypropyl) isocyanurate|Tris(epoxypropyl)isocyanurate|UNII-58P91Z020D|414867-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026262 https://doi.org/10.22427/NTP-DATA-DTXSID4026262
ERPathway2016 ERPathway2016_1397 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9 DTXSID4026262 ER Pathway Model, Antagonist Model Score 0 Unitless O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9|Tris(2,3-epoxypropyl)isocyanurate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-oxiranylmethyl)-|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-|1,3,5-Triglycidyl isocyanurate|1,3,5-Triglycidyl-s-triazinetrione|1,3,5-Triglycidylisocyanuric acid|Araldite PT 810|EINECS 219-514-3|N,N',N''-Triglycidyl isocyanurate|NSC 296934|s-Triazine-2,4,6(1H,3H,5H)-trione, tris(2,3-epoxypropyl)-|Tri(epoxypropyl)isocyanurate|Triglycidyl isocyanurate|Triglycidylisocyanurate|Tris(2-epoxypropyl) isocyanurate|Tris(2,3-epoxypropyl)isocyanurate|Tris(epoxypropyl) isocyanurate|Tris(epoxypropyl)isocyanurate|UNII-58P91Z020D|414867-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026262 https://doi.org/10.22427/NTP-DATA-DTXSID4026262
ERPathway2016 ERPathway2016_1397 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9 DTXSID4026262 ER Pathway Model, Agonist Call Inactive Unitless O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9|Tris(2,3-epoxypropyl)isocyanurate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-oxiranylmethyl)-|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-|1,3,5-Triglycidyl isocyanurate|1,3,5-Triglycidyl-s-triazinetrione|1,3,5-Triglycidylisocyanuric acid|Araldite PT 810|EINECS 219-514-3|N,N',N''-Triglycidyl isocyanurate|NSC 296934|s-Triazine-2,4,6(1H,3H,5H)-trione, tris(2,3-epoxypropyl)-|Tri(epoxypropyl)isocyanurate|Triglycidyl isocyanurate|Triglycidylisocyanurate|Tris(2-epoxypropyl) isocyanurate|Tris(2,3-epoxypropyl)isocyanurate|Tris(epoxypropyl) isocyanurate|Tris(epoxypropyl)isocyanurate|UNII-58P91Z020D|414867-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026262 https://doi.org/10.22427/NTP-DATA-DTXSID4026262
ERPathway2016 ERPathway2016_1397 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9 DTXSID4026262 ER Pathway Model, Antagonist Call Inactive Unitless O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1 Tris(2,3-epoxypropyl)isocyanurate 2451-62-9|Tris(2,3-epoxypropyl)isocyanurate|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-oxiranylmethyl)-|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-|1,3,5-Triglycidyl isocyanurate|1,3,5-Triglycidyl-s-triazinetrione|1,3,5-Triglycidylisocyanuric acid|Araldite PT 810|EINECS 219-514-3|N,N',N''-Triglycidyl isocyanurate|NSC 296934|s-Triazine-2,4,6(1H,3H,5H)-trione, tris(2,3-epoxypropyl)-|Tri(epoxypropyl)isocyanurate|Triglycidyl isocyanurate|Triglycidylisocyanurate|Tris(2-epoxypropyl) isocyanurate|Tris(2,3-epoxypropyl)isocyanurate|Tris(epoxypropyl) isocyanurate|Tris(epoxypropyl)isocyanurate|UNII-58P91Z020D|414867-60-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4026262 https://doi.org/10.22427/NTP-DATA-DTXSID4026262
ARPathway2016 ARPathway2016_1573 Tris(2-butoxyethyl) phosphate 78-51-3 DTXSID5021758 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC Tris(2-butoxyethyl) phosphate 78-51-3|Tris(2-butoxyethyl) phosphate|2-Butoxyethanol phosphate|2-Butoxyethanol phosphate(3:1)|2-Butoxyethanol, phosphate|4-01-00-02422|Arbyl SFR|BRN 1716010|EINECS 201-122-9|Ethanol, 2-butoxy-, 1,1',1''-phosphate|Ethanol, 2-butoxy-, phosphate (3:1)|ETHANOL, 2-BUTOXY-PHOSPHATE (3:1)|Ethanol, 2-butoxy, phosphate (3:1)|fosfato de tris(2-butoxietilo)|Hostaphat B 310|Kronitex KP 140|Kronitex KP-140|NSC 4839|NSC 62228|Phosflex T-BEP|Phosphate de tris(2-butoxyethyle)|Phosphoric acid, tri-(2-butoxyethyl) ester|Phosphoric acid, tributoxyethyl ester|Phosphoric acid, tris(2-butoxyethyl) ester|TBEP|Tri-2-butoxyethyl phosphate|Tri(2-butoxyethanol) phosphate|Tri(2-butoxyethanol)phosphate|Tri(2-butoxyethyl) phosphate|Tri(butoxyethyl) phosphate|Tributoxy Ethyl Phosphate TBEP|Tributoxyethyl phosphate|Tributyl cellosolve phosphate|TRIS-(2-BUTOXYAETHYL)-PHOSPHAT|Tris-(2-butoxyethyl)fosfat|tris-2-Butoxyethyl phosphate|Tris(2-butoxyethyl)phosphat|tris(2-butoxyethyl)phosphate|Tris(2-n-butoxyethyl) phosphate|Tris(butoxyethyl) phosphate|TRIS(BUTOXYETHYL)PHOSPHATE|UNII-|119166-98-2|19040-50-7|31227-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021758 https://doi.org/10.22427/NTP-DATA-DTXSID5021758
ARPathway2016 ARPathway2016_1573 Tris(2-butoxyethyl) phosphate 78-51-3 DTXSID5021758 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC Tris(2-butoxyethyl) phosphate 78-51-3|Tris(2-butoxyethyl) phosphate|2-Butoxyethanol phosphate|2-Butoxyethanol phosphate(3:1)|2-Butoxyethanol, phosphate|4-01-00-02422|Arbyl SFR|BRN 1716010|EINECS 201-122-9|Ethanol, 2-butoxy-, 1,1',1''-phosphate|Ethanol, 2-butoxy-, phosphate (3:1)|ETHANOL, 2-BUTOXY-PHOSPHATE (3:1)|Ethanol, 2-butoxy, phosphate (3:1)|fosfato de tris(2-butoxietilo)|Hostaphat B 310|Kronitex KP 140|Kronitex KP-140|NSC 4839|NSC 62228|Phosflex T-BEP|Phosphate de tris(2-butoxyethyle)|Phosphoric acid, tri-(2-butoxyethyl) ester|Phosphoric acid, tributoxyethyl ester|Phosphoric acid, tris(2-butoxyethyl) ester|TBEP|Tri-2-butoxyethyl phosphate|Tri(2-butoxyethanol) phosphate|Tri(2-butoxyethanol)phosphate|Tri(2-butoxyethyl) phosphate|Tri(butoxyethyl) phosphate|Tributoxy Ethyl Phosphate TBEP|Tributoxyethyl phosphate|Tributyl cellosolve phosphate|TRIS-(2-BUTOXYAETHYL)-PHOSPHAT|Tris-(2-butoxyethyl)fosfat|tris-2-Butoxyethyl phosphate|Tris(2-butoxyethyl)phosphat|tris(2-butoxyethyl)phosphate|Tris(2-n-butoxyethyl) phosphate|Tris(butoxyethyl) phosphate|TRIS(BUTOXYETHYL)PHOSPHATE|UNII-|119166-98-2|19040-50-7|31227-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021758 https://doi.org/10.22427/NTP-DATA-DTXSID5021758
ARPathway2016 ARPathway2016_1573 Tris(2-butoxyethyl) phosphate 78-51-3 DTXSID5021758 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC Tris(2-butoxyethyl) phosphate 78-51-3|Tris(2-butoxyethyl) phosphate|2-Butoxyethanol phosphate|2-Butoxyethanol phosphate(3:1)|2-Butoxyethanol, phosphate|4-01-00-02422|Arbyl SFR|BRN 1716010|EINECS 201-122-9|Ethanol, 2-butoxy-, 1,1',1''-phosphate|Ethanol, 2-butoxy-, phosphate (3:1)|ETHANOL, 2-BUTOXY-PHOSPHATE (3:1)|Ethanol, 2-butoxy, phosphate (3:1)|fosfato de tris(2-butoxietilo)|Hostaphat B 310|Kronitex KP 140|Kronitex KP-140|NSC 4839|NSC 62228|Phosflex T-BEP|Phosphate de tris(2-butoxyethyle)|Phosphoric acid, tri-(2-butoxyethyl) ester|Phosphoric acid, tributoxyethyl ester|Phosphoric acid, tris(2-butoxyethyl) ester|TBEP|Tri-2-butoxyethyl phosphate|Tri(2-butoxyethanol) phosphate|Tri(2-butoxyethanol)phosphate|Tri(2-butoxyethyl) phosphate|Tri(butoxyethyl) phosphate|Tributoxy Ethyl Phosphate TBEP|Tributoxyethyl phosphate|Tributyl cellosolve phosphate|TRIS-(2-BUTOXYAETHYL)-PHOSPHAT|Tris-(2-butoxyethyl)fosfat|tris-2-Butoxyethyl phosphate|Tris(2-butoxyethyl)phosphat|tris(2-butoxyethyl)phosphate|Tris(2-n-butoxyethyl) phosphate|Tris(butoxyethyl) phosphate|TRIS(BUTOXYETHYL)PHOSPHATE|UNII-|119166-98-2|19040-50-7|31227-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021758 https://doi.org/10.22427/NTP-DATA-DTXSID5021758
ARPathway2016 ARPathway2016_1573 Tris(2-butoxyethyl) phosphate 78-51-3 DTXSID5021758 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC Tris(2-butoxyethyl) phosphate 78-51-3|Tris(2-butoxyethyl) phosphate|2-Butoxyethanol phosphate|2-Butoxyethanol phosphate(3:1)|2-Butoxyethanol, phosphate|4-01-00-02422|Arbyl SFR|BRN 1716010|EINECS 201-122-9|Ethanol, 2-butoxy-, 1,1',1''-phosphate|Ethanol, 2-butoxy-, phosphate (3:1)|ETHANOL, 2-BUTOXY-PHOSPHATE (3:1)|Ethanol, 2-butoxy, phosphate (3:1)|fosfato de tris(2-butoxietilo)|Hostaphat B 310|Kronitex KP 140|Kronitex KP-140|NSC 4839|NSC 62228|Phosflex T-BEP|Phosphate de tris(2-butoxyethyle)|Phosphoric acid, tri-(2-butoxyethyl) ester|Phosphoric acid, tributoxyethyl ester|Phosphoric acid, tris(2-butoxyethyl) ester|TBEP|Tri-2-butoxyethyl phosphate|Tri(2-butoxyethanol) phosphate|Tri(2-butoxyethanol)phosphate|Tri(2-butoxyethyl) phosphate|Tri(butoxyethyl) phosphate|Tributoxy Ethyl Phosphate TBEP|Tributoxyethyl phosphate|Tributyl cellosolve phosphate|TRIS-(2-BUTOXYAETHYL)-PHOSPHAT|Tris-(2-butoxyethyl)fosfat|tris-2-Butoxyethyl phosphate|Tris(2-butoxyethyl)phosphat|tris(2-butoxyethyl)phosphate|Tris(2-n-butoxyethyl) phosphate|Tris(butoxyethyl) phosphate|TRIS(BUTOXYETHYL)PHOSPHATE|UNII-|119166-98-2|19040-50-7|31227-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021758 https://doi.org/10.22427/NTP-DATA-DTXSID5021758
ERPathway2016 ERPathway2016_504 Tris(2-butoxyethyl) phosphate 78-51-3 DTXSID5021758 R8 ER Pathway Model, Agonist Model Score 0 Unitless CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC Tris(2-butoxyethyl) phosphate 78-51-3|Tris(2-butoxyethyl) phosphate|2-Butoxyethanol phosphate|2-Butoxyethanol phosphate(3:1)|2-Butoxyethanol, phosphate|4-01-00-02422|Arbyl SFR|BRN 1716010|EINECS 201-122-9|Ethanol, 2-butoxy-, 1,1',1''-phosphate|Ethanol, 2-butoxy-, phosphate (3:1)|ETHANOL, 2-BUTOXY-PHOSPHATE (3:1)|Ethanol, 2-butoxy, phosphate (3:1)|fosfato de tris(2-butoxietilo)|Hostaphat B 310|Kronitex KP 140|Kronitex KP-140|NSC 4839|NSC 62228|Phosflex T-BEP|Phosphate de tris(2-butoxyethyle)|Phosphoric acid, tri-(2-butoxyethyl) ester|Phosphoric acid, tributoxyethyl ester|Phosphoric acid, tris(2-butoxyethyl) ester|TBEP|Tri-2-butoxyethyl phosphate|Tri(2-butoxyethanol) phosphate|Tri(2-butoxyethanol)phosphate|Tri(2-butoxyethyl) phosphate|Tri(butoxyethyl) phosphate|Tributoxy Ethyl Phosphate TBEP|Tributoxyethyl phosphate|Tributyl cellosolve phosphate|TRIS-(2-BUTOXYAETHYL)-PHOSPHAT|Tris-(2-butoxyethyl)fosfat|tris-2-Butoxyethyl phosphate|Tris(2-butoxyethyl)phosphat|tris(2-butoxyethyl)phosphate|Tris(2-n-butoxyethyl) phosphate|Tris(butoxyethyl) phosphate|TRIS(BUTOXYETHYL)PHOSPHATE|UNII-|119166-98-2|19040-50-7|31227-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021758 https://doi.org/10.22427/NTP-DATA-DTXSID5021758
ERPathway2016 ERPathway2016_504 Tris(2-butoxyethyl) phosphate 78-51-3 DTXSID5021758 R8 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC Tris(2-butoxyethyl) phosphate 78-51-3|Tris(2-butoxyethyl) phosphate|2-Butoxyethanol phosphate|2-Butoxyethanol phosphate(3:1)|2-Butoxyethanol, phosphate|4-01-00-02422|Arbyl SFR|BRN 1716010|EINECS 201-122-9|Ethanol, 2-butoxy-, 1,1',1''-phosphate|Ethanol, 2-butoxy-, phosphate (3:1)|ETHANOL, 2-BUTOXY-PHOSPHATE (3:1)|Ethanol, 2-butoxy, phosphate (3:1)|fosfato de tris(2-butoxietilo)|Hostaphat B 310|Kronitex KP 140|Kronitex KP-140|NSC 4839|NSC 62228|Phosflex T-BEP|Phosphate de tris(2-butoxyethyle)|Phosphoric acid, tri-(2-butoxyethyl) ester|Phosphoric acid, tributoxyethyl ester|Phosphoric acid, tris(2-butoxyethyl) ester|TBEP|Tri-2-butoxyethyl phosphate|Tri(2-butoxyethanol) phosphate|Tri(2-butoxyethanol)phosphate|Tri(2-butoxyethyl) phosphate|Tri(butoxyethyl) phosphate|Tributoxy Ethyl Phosphate TBEP|Tributoxyethyl phosphate|Tributyl cellosolve phosphate|TRIS-(2-BUTOXYAETHYL)-PHOSPHAT|Tris-(2-butoxyethyl)fosfat|tris-2-Butoxyethyl phosphate|Tris(2-butoxyethyl)phosphat|tris(2-butoxyethyl)phosphate|Tris(2-n-butoxyethyl) phosphate|Tris(butoxyethyl) phosphate|TRIS(BUTOXYETHYL)PHOSPHATE|UNII-|119166-98-2|19040-50-7|31227-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021758 https://doi.org/10.22427/NTP-DATA-DTXSID5021758
ERPathway2016 ERPathway2016_504 Tris(2-butoxyethyl) phosphate 78-51-3 DTXSID5021758 R8 ER Pathway Model, Agonist Call Inactive Unitless CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC Tris(2-butoxyethyl) phosphate 78-51-3|Tris(2-butoxyethyl) phosphate|2-Butoxyethanol phosphate|2-Butoxyethanol phosphate(3:1)|2-Butoxyethanol, phosphate|4-01-00-02422|Arbyl SFR|BRN 1716010|EINECS 201-122-9|Ethanol, 2-butoxy-, 1,1',1''-phosphate|Ethanol, 2-butoxy-, phosphate (3:1)|ETHANOL, 2-BUTOXY-PHOSPHATE (3:1)|Ethanol, 2-butoxy, phosphate (3:1)|fosfato de tris(2-butoxietilo)|Hostaphat B 310|Kronitex KP 140|Kronitex KP-140|NSC 4839|NSC 62228|Phosflex T-BEP|Phosphate de tris(2-butoxyethyle)|Phosphoric acid, tri-(2-butoxyethyl) ester|Phosphoric acid, tributoxyethyl ester|Phosphoric acid, tris(2-butoxyethyl) ester|TBEP|Tri-2-butoxyethyl phosphate|Tri(2-butoxyethanol) phosphate|Tri(2-butoxyethanol)phosphate|Tri(2-butoxyethyl) phosphate|Tri(butoxyethyl) phosphate|Tributoxy Ethyl Phosphate TBEP|Tributoxyethyl phosphate|Tributyl cellosolve phosphate|TRIS-(2-BUTOXYAETHYL)-PHOSPHAT|Tris-(2-butoxyethyl)fosfat|tris-2-Butoxyethyl phosphate|Tris(2-butoxyethyl)phosphat|tris(2-butoxyethyl)phosphate|Tris(2-n-butoxyethyl) phosphate|Tris(butoxyethyl) phosphate|TRIS(BUTOXYETHYL)PHOSPHATE|UNII-|119166-98-2|19040-50-7|31227-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021758 https://doi.org/10.22427/NTP-DATA-DTXSID5021758
ERPathway2016 ERPathway2016_504 Tris(2-butoxyethyl) phosphate 78-51-3 DTXSID5021758 R8 ER Pathway Model, Antagonist Call Inactive Unitless CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC Tris(2-butoxyethyl) phosphate 78-51-3|Tris(2-butoxyethyl) phosphate|2-Butoxyethanol phosphate|2-Butoxyethanol phosphate(3:1)|2-Butoxyethanol, phosphate|4-01-00-02422|Arbyl SFR|BRN 1716010|EINECS 201-122-9|Ethanol, 2-butoxy-, 1,1',1''-phosphate|Ethanol, 2-butoxy-, phosphate (3:1)|ETHANOL, 2-BUTOXY-PHOSPHATE (3:1)|Ethanol, 2-butoxy, phosphate (3:1)|fosfato de tris(2-butoxietilo)|Hostaphat B 310|Kronitex KP 140|Kronitex KP-140|NSC 4839|NSC 62228|Phosflex T-BEP|Phosphate de tris(2-butoxyethyle)|Phosphoric acid, tri-(2-butoxyethyl) ester|Phosphoric acid, tributoxyethyl ester|Phosphoric acid, tris(2-butoxyethyl) ester|TBEP|Tri-2-butoxyethyl phosphate|Tri(2-butoxyethanol) phosphate|Tri(2-butoxyethanol)phosphate|Tri(2-butoxyethyl) phosphate|Tri(butoxyethyl) phosphate|Tributoxy Ethyl Phosphate TBEP|Tributoxyethyl phosphate|Tributyl cellosolve phosphate|TRIS-(2-BUTOXYAETHYL)-PHOSPHAT|Tris-(2-butoxyethyl)fosfat|tris-2-Butoxyethyl phosphate|Tris(2-butoxyethyl)phosphat|tris(2-butoxyethyl)phosphate|Tris(2-n-butoxyethyl) phosphate|Tris(butoxyethyl) phosphate|TRIS(BUTOXYETHYL)PHOSPHATE|UNII-|119166-98-2|19040-50-7|31227-66-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021758 https://doi.org/10.22427/NTP-DATA-DTXSID5021758
ARPathway2016 ARPathway2016_630 Tris(2-chloroethyl) phosphate 115-96-8 DTXSID5021411 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClCCOP(=O)(OCCCl)OCCCl Tris(2-chloroethyl) phosphate 115-96-8|Tris(2-chloroethyl) phosphate|2-Chloroethanol phosphate|204-118-5|3CF|4-01-00-01379|Amgard TCEP|Antiblaze 100|BRN 1710938|CEF|Celluflex|Celluflex CEF|CLP|Disflamoll TCA|EC No.: 204-118-5|EINECS 204-118-5|Ethanol, 2-chloro-, 1,1',1''-phosphate|Ethanol, 2-chloro-, 1,1',1''-phosphate|ETHANOL, 2-CHLORO-, PHOSPHATE|Ethanol, 2-chloro-, phosphate (3:1)|fosfato de tris(2-cloroetilo)|Fyrol CEF|Fyrol CF|Genomoll P|NCI-C60128|Niax 3CF|Niax Flame Retardant 3CF|NSC 3213|Phosphate de tris(2-chloroethyle)|Phosphoric acid tris(2-chloroethyl) ester|Phosphoric acid, tris(2-chloroethyl)ester|Roflam E|TCEP|Tri-beta-chloroethyl phosphate|Tri(2-chloroethyl) phosphate|Tri(2-chloroethyl)phosphate|Tri(chloroethyl) phosphate|Tri(b-chloroethyl) phosphate|TRIS-(2-CHLORAETHYL)-PHOSPHAT|Tris-(2-chlorethyl)fosfat|Tris-(2-chloroethyl)fosfat|Tris(2-chlorethyl)phosphat|Tris(2-chloroethyl) orthophosphate|Tris(2-chloroethyl)phosphate|Tris(beta-chloroethyl) phosphate|Tris(chloroethyl) phosphate|Tris(chloroethyl)phosphate|Tris(b-chloroethyl) phosphate|UNII-32IVO568B0|21343-84-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021411 https://doi.org/10.22427/NTP-DATA-DTXSID5021411
ARPathway2016 ARPathway2016_630 Tris(2-chloroethyl) phosphate 115-96-8 DTXSID5021411 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClCCOP(=O)(OCCCl)OCCCl Tris(2-chloroethyl) phosphate 115-96-8|Tris(2-chloroethyl) phosphate|2-Chloroethanol phosphate|204-118-5|3CF|4-01-00-01379|Amgard TCEP|Antiblaze 100|BRN 1710938|CEF|Celluflex|Celluflex CEF|CLP|Disflamoll TCA|EC No.: 204-118-5|EINECS 204-118-5|Ethanol, 2-chloro-, 1,1',1''-phosphate|Ethanol, 2-chloro-, 1,1',1''-phosphate|ETHANOL, 2-CHLORO-, PHOSPHATE|Ethanol, 2-chloro-, phosphate (3:1)|fosfato de tris(2-cloroetilo)|Fyrol CEF|Fyrol CF|Genomoll P|NCI-C60128|Niax 3CF|Niax Flame Retardant 3CF|NSC 3213|Phosphate de tris(2-chloroethyle)|Phosphoric acid tris(2-chloroethyl) ester|Phosphoric acid, tris(2-chloroethyl)ester|Roflam E|TCEP|Tri-beta-chloroethyl phosphate|Tri(2-chloroethyl) phosphate|Tri(2-chloroethyl)phosphate|Tri(chloroethyl) phosphate|Tri(b-chloroethyl) phosphate|TRIS-(2-CHLORAETHYL)-PHOSPHAT|Tris-(2-chlorethyl)fosfat|Tris-(2-chloroethyl)fosfat|Tris(2-chlorethyl)phosphat|Tris(2-chloroethyl) orthophosphate|Tris(2-chloroethyl)phosphate|Tris(beta-chloroethyl) phosphate|Tris(chloroethyl) phosphate|Tris(chloroethyl)phosphate|Tris(b-chloroethyl) phosphate|UNII-32IVO568B0|21343-84-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021411 https://doi.org/10.22427/NTP-DATA-DTXSID5021411
ARPathway2016 ARPathway2016_630 Tris(2-chloroethyl) phosphate 115-96-8 DTXSID5021411 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClCCOP(=O)(OCCCl)OCCCl Tris(2-chloroethyl) phosphate 115-96-8|Tris(2-chloroethyl) phosphate|2-Chloroethanol phosphate|204-118-5|3CF|4-01-00-01379|Amgard TCEP|Antiblaze 100|BRN 1710938|CEF|Celluflex|Celluflex CEF|CLP|Disflamoll TCA|EC No.: 204-118-5|EINECS 204-118-5|Ethanol, 2-chloro-, 1,1',1''-phosphate|Ethanol, 2-chloro-, 1,1',1''-phosphate|ETHANOL, 2-CHLORO-, PHOSPHATE|Ethanol, 2-chloro-, phosphate (3:1)|fosfato de tris(2-cloroetilo)|Fyrol CEF|Fyrol CF|Genomoll P|NCI-C60128|Niax 3CF|Niax Flame Retardant 3CF|NSC 3213|Phosphate de tris(2-chloroethyle)|Phosphoric acid tris(2-chloroethyl) ester|Phosphoric acid, tris(2-chloroethyl)ester|Roflam E|TCEP|Tri-beta-chloroethyl phosphate|Tri(2-chloroethyl) phosphate|Tri(2-chloroethyl)phosphate|Tri(chloroethyl) phosphate|Tri(b-chloroethyl) phosphate|TRIS-(2-CHLORAETHYL)-PHOSPHAT|Tris-(2-chlorethyl)fosfat|Tris-(2-chloroethyl)fosfat|Tris(2-chlorethyl)phosphat|Tris(2-chloroethyl) orthophosphate|Tris(2-chloroethyl)phosphate|Tris(beta-chloroethyl) phosphate|Tris(chloroethyl) phosphate|Tris(chloroethyl)phosphate|Tris(b-chloroethyl) phosphate|UNII-32IVO568B0|21343-84-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021411 https://doi.org/10.22427/NTP-DATA-DTXSID5021411
ARPathway2016 ARPathway2016_630 Tris(2-chloroethyl) phosphate 115-96-8 DTXSID5021411 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClCCOP(=O)(OCCCl)OCCCl Tris(2-chloroethyl) phosphate 115-96-8|Tris(2-chloroethyl) phosphate|2-Chloroethanol phosphate|204-118-5|3CF|4-01-00-01379|Amgard TCEP|Antiblaze 100|BRN 1710938|CEF|Celluflex|Celluflex CEF|CLP|Disflamoll TCA|EC No.: 204-118-5|EINECS 204-118-5|Ethanol, 2-chloro-, 1,1',1''-phosphate|Ethanol, 2-chloro-, 1,1',1''-phosphate|ETHANOL, 2-CHLORO-, PHOSPHATE|Ethanol, 2-chloro-, phosphate (3:1)|fosfato de tris(2-cloroetilo)|Fyrol CEF|Fyrol CF|Genomoll P|NCI-C60128|Niax 3CF|Niax Flame Retardant 3CF|NSC 3213|Phosphate de tris(2-chloroethyle)|Phosphoric acid tris(2-chloroethyl) ester|Phosphoric acid, tris(2-chloroethyl)ester|Roflam E|TCEP|Tri-beta-chloroethyl phosphate|Tri(2-chloroethyl) phosphate|Tri(2-chloroethyl)phosphate|Tri(chloroethyl) phosphate|Tri(b-chloroethyl) phosphate|TRIS-(2-CHLORAETHYL)-PHOSPHAT|Tris-(2-chlorethyl)fosfat|Tris-(2-chloroethyl)fosfat|Tris(2-chlorethyl)phosphat|Tris(2-chloroethyl) orthophosphate|Tris(2-chloroethyl)phosphate|Tris(beta-chloroethyl) phosphate|Tris(chloroethyl) phosphate|Tris(chloroethyl)phosphate|Tris(b-chloroethyl) phosphate|UNII-32IVO568B0|21343-84-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021411 https://doi.org/10.22427/NTP-DATA-DTXSID5021411
ERPathway2016 ERPathway2016_1189 Tris(2-chloroethyl) phosphate 115-96-8 DTXSID5021411 ER Pathway Model, Agonist Model Score 0 Unitless ClCCOP(=O)(OCCCl)OCCCl Tris(2-chloroethyl) phosphate 115-96-8|Tris(2-chloroethyl) phosphate|2-Chloroethanol phosphate|204-118-5|3CF|4-01-00-01379|Amgard TCEP|Antiblaze 100|BRN 1710938|CEF|Celluflex|Celluflex CEF|CLP|Disflamoll TCA|EC No.: 204-118-5|EINECS 204-118-5|Ethanol, 2-chloro-, 1,1',1''-phosphate|Ethanol, 2-chloro-, 1,1',1''-phosphate|ETHANOL, 2-CHLORO-, PHOSPHATE|Ethanol, 2-chloro-, phosphate (3:1)|fosfato de tris(2-cloroetilo)|Fyrol CEF|Fyrol CF|Genomoll P|NCI-C60128|Niax 3CF|Niax Flame Retardant 3CF|NSC 3213|Phosphate de tris(2-chloroethyle)|Phosphoric acid tris(2-chloroethyl) ester|Phosphoric acid, tris(2-chloroethyl)ester|Roflam E|TCEP|Tri-beta-chloroethyl phosphate|Tri(2-chloroethyl) phosphate|Tri(2-chloroethyl)phosphate|Tri(chloroethyl) phosphate|Tri(b-chloroethyl) phosphate|TRIS-(2-CHLORAETHYL)-PHOSPHAT|Tris-(2-chlorethyl)fosfat|Tris-(2-chloroethyl)fosfat|Tris(2-chlorethyl)phosphat|Tris(2-chloroethyl) orthophosphate|Tris(2-chloroethyl)phosphate|Tris(beta-chloroethyl) phosphate|Tris(chloroethyl) phosphate|Tris(chloroethyl)phosphate|Tris(b-chloroethyl) phosphate|UNII-32IVO568B0|21343-84-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021411 https://doi.org/10.22427/NTP-DATA-DTXSID5021411
ERPathway2016 ERPathway2016_1189 Tris(2-chloroethyl) phosphate 115-96-8 DTXSID5021411 ER Pathway Model, Antagonist Model Score 0 Unitless ClCCOP(=O)(OCCCl)OCCCl Tris(2-chloroethyl) phosphate 115-96-8|Tris(2-chloroethyl) phosphate|2-Chloroethanol phosphate|204-118-5|3CF|4-01-00-01379|Amgard TCEP|Antiblaze 100|BRN 1710938|CEF|Celluflex|Celluflex CEF|CLP|Disflamoll TCA|EC No.: 204-118-5|EINECS 204-118-5|Ethanol, 2-chloro-, 1,1',1''-phosphate|Ethanol, 2-chloro-, 1,1',1''-phosphate|ETHANOL, 2-CHLORO-, PHOSPHATE|Ethanol, 2-chloro-, phosphate (3:1)|fosfato de tris(2-cloroetilo)|Fyrol CEF|Fyrol CF|Genomoll P|NCI-C60128|Niax 3CF|Niax Flame Retardant 3CF|NSC 3213|Phosphate de tris(2-chloroethyle)|Phosphoric acid tris(2-chloroethyl) ester|Phosphoric acid, tris(2-chloroethyl)ester|Roflam E|TCEP|Tri-beta-chloroethyl phosphate|Tri(2-chloroethyl) phosphate|Tri(2-chloroethyl)phosphate|Tri(chloroethyl) phosphate|Tri(b-chloroethyl) phosphate|TRIS-(2-CHLORAETHYL)-PHOSPHAT|Tris-(2-chlorethyl)fosfat|Tris-(2-chloroethyl)fosfat|Tris(2-chlorethyl)phosphat|Tris(2-chloroethyl) orthophosphate|Tris(2-chloroethyl)phosphate|Tris(beta-chloroethyl) phosphate|Tris(chloroethyl) phosphate|Tris(chloroethyl)phosphate|Tris(b-chloroethyl) phosphate|UNII-32IVO568B0|21343-84-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021411 https://doi.org/10.22427/NTP-DATA-DTXSID5021411
ERPathway2016 ERPathway2016_1189 Tris(2-chloroethyl) phosphate 115-96-8 DTXSID5021411 ER Pathway Model, Agonist Call Inactive Unitless ClCCOP(=O)(OCCCl)OCCCl Tris(2-chloroethyl) phosphate 115-96-8|Tris(2-chloroethyl) phosphate|2-Chloroethanol phosphate|204-118-5|3CF|4-01-00-01379|Amgard TCEP|Antiblaze 100|BRN 1710938|CEF|Celluflex|Celluflex CEF|CLP|Disflamoll TCA|EC No.: 204-118-5|EINECS 204-118-5|Ethanol, 2-chloro-, 1,1',1''-phosphate|Ethanol, 2-chloro-, 1,1',1''-phosphate|ETHANOL, 2-CHLORO-, PHOSPHATE|Ethanol, 2-chloro-, phosphate (3:1)|fosfato de tris(2-cloroetilo)|Fyrol CEF|Fyrol CF|Genomoll P|NCI-C60128|Niax 3CF|Niax Flame Retardant 3CF|NSC 3213|Phosphate de tris(2-chloroethyle)|Phosphoric acid tris(2-chloroethyl) ester|Phosphoric acid, tris(2-chloroethyl)ester|Roflam E|TCEP|Tri-beta-chloroethyl phosphate|Tri(2-chloroethyl) phosphate|Tri(2-chloroethyl)phosphate|Tri(chloroethyl) phosphate|Tri(b-chloroethyl) phosphate|TRIS-(2-CHLORAETHYL)-PHOSPHAT|Tris-(2-chlorethyl)fosfat|Tris-(2-chloroethyl)fosfat|Tris(2-chlorethyl)phosphat|Tris(2-chloroethyl) orthophosphate|Tris(2-chloroethyl)phosphate|Tris(beta-chloroethyl) phosphate|Tris(chloroethyl) phosphate|Tris(chloroethyl)phosphate|Tris(b-chloroethyl) phosphate|UNII-32IVO568B0|21343-84-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021411 https://doi.org/10.22427/NTP-DATA-DTXSID5021411
ERPathway2016 ERPathway2016_1189 Tris(2-chloroethyl) phosphate 115-96-8 DTXSID5021411 ER Pathway Model, Antagonist Call Inactive Unitless ClCCOP(=O)(OCCCl)OCCCl Tris(2-chloroethyl) phosphate 115-96-8|Tris(2-chloroethyl) phosphate|2-Chloroethanol phosphate|204-118-5|3CF|4-01-00-01379|Amgard TCEP|Antiblaze 100|BRN 1710938|CEF|Celluflex|Celluflex CEF|CLP|Disflamoll TCA|EC No.: 204-118-5|EINECS 204-118-5|Ethanol, 2-chloro-, 1,1',1''-phosphate|Ethanol, 2-chloro-, 1,1',1''-phosphate|ETHANOL, 2-CHLORO-, PHOSPHATE|Ethanol, 2-chloro-, phosphate (3:1)|fosfato de tris(2-cloroetilo)|Fyrol CEF|Fyrol CF|Genomoll P|NCI-C60128|Niax 3CF|Niax Flame Retardant 3CF|NSC 3213|Phosphate de tris(2-chloroethyle)|Phosphoric acid tris(2-chloroethyl) ester|Phosphoric acid, tris(2-chloroethyl)ester|Roflam E|TCEP|Tri-beta-chloroethyl phosphate|Tri(2-chloroethyl) phosphate|Tri(2-chloroethyl)phosphate|Tri(chloroethyl) phosphate|Tri(b-chloroethyl) phosphate|TRIS-(2-CHLORAETHYL)-PHOSPHAT|Tris-(2-chlorethyl)fosfat|Tris-(2-chloroethyl)fosfat|Tris(2-chlorethyl)phosphat|Tris(2-chloroethyl) orthophosphate|Tris(2-chloroethyl)phosphate|Tris(beta-chloroethyl) phosphate|Tris(chloroethyl) phosphate|Tris(chloroethyl)phosphate|Tris(b-chloroethyl) phosphate|UNII-32IVO568B0|21343-84-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021411 https://doi.org/10.22427/NTP-DATA-DTXSID5021411
ARPathway2016 ARPathway2016_824 Tris(2-chloroethyl) phosphite 140-08-9 DTXSID0026258 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless ClCCOP(OCCCl)OCCCl Tris(2-chloroethyl) phosphite 140-08-9|Tris(2-chloroethyl) phosphite|2-Chloroethanol phosphite (3:1)|4-01-00-01378|BRN 1704979|EINECS 205-397-6|Ethanol, 2-chloro-, 1,1',1''-phosphite|Ethanol, 2-chloro-, phosphite (3:1)|NSC 6514|Phosphorous acid, tris(2-chloroethyl) ester|Tris(2-chloroethyl)ester of phosphorus acid|Tris(2-chloroethyl)phosphite|Tris(beta-chloroethyl) phosphite|UNII-66XM91RPZK https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026258 https://doi.org/10.22427/NTP-DATA-DTXSID0026258
ARPathway2016 ARPathway2016_824 Tris(2-chloroethyl) phosphite 140-08-9 DTXSID0026258 0.0 AR Pathway Model, Agonist Model Score 0 Unitless ClCCOP(OCCCl)OCCCl Tris(2-chloroethyl) phosphite 140-08-9|Tris(2-chloroethyl) phosphite|2-Chloroethanol phosphite (3:1)|4-01-00-01378|BRN 1704979|EINECS 205-397-6|Ethanol, 2-chloro-, 1,1',1''-phosphite|Ethanol, 2-chloro-, phosphite (3:1)|NSC 6514|Phosphorous acid, tris(2-chloroethyl) ester|Tris(2-chloroethyl)ester of phosphorus acid|Tris(2-chloroethyl)phosphite|Tris(beta-chloroethyl) phosphite|UNII-66XM91RPZK https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026258 https://doi.org/10.22427/NTP-DATA-DTXSID0026258
ARPathway2016 ARPathway2016_824 Tris(2-chloroethyl) phosphite 140-08-9 DTXSID0026258 0.0 AR Pathway Model, Agonist Call Inactive Unitless ClCCOP(OCCCl)OCCCl Tris(2-chloroethyl) phosphite 140-08-9|Tris(2-chloroethyl) phosphite|2-Chloroethanol phosphite (3:1)|4-01-00-01378|BRN 1704979|EINECS 205-397-6|Ethanol, 2-chloro-, 1,1',1''-phosphite|Ethanol, 2-chloro-, phosphite (3:1)|NSC 6514|Phosphorous acid, tris(2-chloroethyl) ester|Tris(2-chloroethyl)ester of phosphorus acid|Tris(2-chloroethyl)phosphite|Tris(beta-chloroethyl) phosphite|UNII-66XM91RPZK https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026258 https://doi.org/10.22427/NTP-DATA-DTXSID0026258
ARPathway2016 ARPathway2016_824 Tris(2-chloroethyl) phosphite 140-08-9 DTXSID0026258 0.0 AR Pathway Model, Antagonist Call Inactive Unitless ClCCOP(OCCCl)OCCCl Tris(2-chloroethyl) phosphite 140-08-9|Tris(2-chloroethyl) phosphite|2-Chloroethanol phosphite (3:1)|4-01-00-01378|BRN 1704979|EINECS 205-397-6|Ethanol, 2-chloro-, 1,1',1''-phosphite|Ethanol, 2-chloro-, phosphite (3:1)|NSC 6514|Phosphorous acid, tris(2-chloroethyl) ester|Tris(2-chloroethyl)ester of phosphorus acid|Tris(2-chloroethyl)phosphite|Tris(beta-chloroethyl) phosphite|UNII-66XM91RPZK https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026258 https://doi.org/10.22427/NTP-DATA-DTXSID0026258
ERPathway2016 ERPathway2016_1295 Tris(2-chloroethyl) phosphite 140-08-9 DTXSID0026258 ER Pathway Model, Agonist Model Score 0 Unitless ClCCOP(OCCCl)OCCCl Tris(2-chloroethyl) phosphite 140-08-9|Tris(2-chloroethyl) phosphite|2-Chloroethanol phosphite (3:1)|4-01-00-01378|BRN 1704979|EINECS 205-397-6|Ethanol, 2-chloro-, 1,1',1''-phosphite|Ethanol, 2-chloro-, phosphite (3:1)|NSC 6514|Phosphorous acid, tris(2-chloroethyl) ester|Tris(2-chloroethyl)ester of phosphorus acid|Tris(2-chloroethyl)phosphite|Tris(beta-chloroethyl) phosphite|UNII-66XM91RPZK https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026258 https://doi.org/10.22427/NTP-DATA-DTXSID0026258
ERPathway2016 ERPathway2016_1295 Tris(2-chloroethyl) phosphite 140-08-9 DTXSID0026258 ER Pathway Model, Antagonist Model Score 0 Unitless ClCCOP(OCCCl)OCCCl Tris(2-chloroethyl) phosphite 140-08-9|Tris(2-chloroethyl) phosphite|2-Chloroethanol phosphite (3:1)|4-01-00-01378|BRN 1704979|EINECS 205-397-6|Ethanol, 2-chloro-, 1,1',1''-phosphite|Ethanol, 2-chloro-, phosphite (3:1)|NSC 6514|Phosphorous acid, tris(2-chloroethyl) ester|Tris(2-chloroethyl)ester of phosphorus acid|Tris(2-chloroethyl)phosphite|Tris(beta-chloroethyl) phosphite|UNII-66XM91RPZK https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026258 https://doi.org/10.22427/NTP-DATA-DTXSID0026258
ERPathway2016 ERPathway2016_1295 Tris(2-chloroethyl) phosphite 140-08-9 DTXSID0026258 ER Pathway Model, Agonist Call Inactive Unitless ClCCOP(OCCCl)OCCCl Tris(2-chloroethyl) phosphite 140-08-9|Tris(2-chloroethyl) phosphite|2-Chloroethanol phosphite (3:1)|4-01-00-01378|BRN 1704979|EINECS 205-397-6|Ethanol, 2-chloro-, 1,1',1''-phosphite|Ethanol, 2-chloro-, phosphite (3:1)|NSC 6514|Phosphorous acid, tris(2-chloroethyl) ester|Tris(2-chloroethyl)ester of phosphorus acid|Tris(2-chloroethyl)phosphite|Tris(beta-chloroethyl) phosphite|UNII-66XM91RPZK https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026258 https://doi.org/10.22427/NTP-DATA-DTXSID0026258
ERPathway2016 ERPathway2016_1295 Tris(2-chloroethyl) phosphite 140-08-9 DTXSID0026258 ER Pathway Model, Antagonist Call Inactive Unitless ClCCOP(OCCCl)OCCCl Tris(2-chloroethyl) phosphite 140-08-9|Tris(2-chloroethyl) phosphite|2-Chloroethanol phosphite (3:1)|4-01-00-01378|BRN 1704979|EINECS 205-397-6|Ethanol, 2-chloro-, 1,1',1''-phosphite|Ethanol, 2-chloro-, phosphite (3:1)|NSC 6514|Phosphorous acid, tris(2-chloroethyl) ester|Tris(2-chloroethyl)ester of phosphorus acid|Tris(2-chloroethyl)phosphite|Tris(beta-chloroethyl) phosphite|UNII-66XM91RPZK https://comptox.epa.gov/dashboard/chemical/details/DTXSID0026258 https://doi.org/10.22427/NTP-DATA-DTXSID0026258
ARPathway2016 ARPathway2016_806 Tris(2-chloroisopropyl)phosphate 13674-84-5 DTXSID5026259 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl Tris(2-chloroisopropyl)phosphate 13674-84-5|Tris(2-chloroisopropyl)phosphate|2-Propanol, 1-chloro-, phosphate (3:1)|Amgard TMCP|BRN 1842347|EINECS 237-158-7|Hostaflam OP 820|TCPP|Tris(1-chloro-2-propyl) phosphate|16839-32-0|98112-32-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026259
ARPathway2016 ARPathway2016_806 Tris(2-chloroisopropyl)phosphate 13674-84-5 DTXSID5026259 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl Tris(2-chloroisopropyl)phosphate 13674-84-5|Tris(2-chloroisopropyl)phosphate|2-Propanol, 1-chloro-, phosphate (3:1)|Amgard TMCP|BRN 1842347|EINECS 237-158-7|Hostaflam OP 820|TCPP|Tris(1-chloro-2-propyl) phosphate|16839-32-0|98112-32-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026259
ARPathway2016 ARPathway2016_806 Tris(2-chloroisopropyl)phosphate 13674-84-5 DTXSID5026259 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl Tris(2-chloroisopropyl)phosphate 13674-84-5|Tris(2-chloroisopropyl)phosphate|2-Propanol, 1-chloro-, phosphate (3:1)|Amgard TMCP|BRN 1842347|EINECS 237-158-7|Hostaflam OP 820|TCPP|Tris(1-chloro-2-propyl) phosphate|16839-32-0|98112-32-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026259
ARPathway2016 ARPathway2016_806 Tris(2-chloroisopropyl)phosphate 13674-84-5 DTXSID5026259 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl Tris(2-chloroisopropyl)phosphate 13674-84-5|Tris(2-chloroisopropyl)phosphate|2-Propanol, 1-chloro-, phosphate (3:1)|Amgard TMCP|BRN 1842347|EINECS 237-158-7|Hostaflam OP 820|TCPP|Tris(1-chloro-2-propyl) phosphate|16839-32-0|98112-32-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026259
ERPathway2016 ERPathway2016_1284 Tris(2-chloroisopropyl)phosphate 13674-84-5 DTXSID5026259 ER Pathway Model, Agonist Model Score 0 Unitless CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl Tris(2-chloroisopropyl)phosphate 13674-84-5|Tris(2-chloroisopropyl)phosphate|2-Propanol, 1-chloro-, phosphate (3:1)|Amgard TMCP|BRN 1842347|EINECS 237-158-7|Hostaflam OP 820|TCPP|Tris(1-chloro-2-propyl) phosphate|16839-32-0|98112-32-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026259
ERPathway2016 ERPathway2016_1284 Tris(2-chloroisopropyl)phosphate 13674-84-5 DTXSID5026259 ER Pathway Model, Antagonist Model Score 0 Unitless CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl Tris(2-chloroisopropyl)phosphate 13674-84-5|Tris(2-chloroisopropyl)phosphate|2-Propanol, 1-chloro-, phosphate (3:1)|Amgard TMCP|BRN 1842347|EINECS 237-158-7|Hostaflam OP 820|TCPP|Tris(1-chloro-2-propyl) phosphate|16839-32-0|98112-32-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026259
ERPathway2016 ERPathway2016_1284 Tris(2-chloroisopropyl)phosphate 13674-84-5 DTXSID5026259 ER Pathway Model, Agonist Call Inactive Unitless CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl Tris(2-chloroisopropyl)phosphate 13674-84-5|Tris(2-chloroisopropyl)phosphate|2-Propanol, 1-chloro-, phosphate (3:1)|Amgard TMCP|BRN 1842347|EINECS 237-158-7|Hostaflam OP 820|TCPP|Tris(1-chloro-2-propyl) phosphate|16839-32-0|98112-32-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026259
ERPathway2016 ERPathway2016_1284 Tris(2-chloroisopropyl)phosphate 13674-84-5 DTXSID5026259 ER Pathway Model, Antagonist Call Inactive Unitless CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl Tris(2-chloroisopropyl)phosphate 13674-84-5|Tris(2-chloroisopropyl)phosphate|2-Propanol, 1-chloro-, phosphate (3:1)|Amgard TMCP|BRN 1842347|EINECS 237-158-7|Hostaflam OP 820|TCPP|Tris(1-chloro-2-propyl) phosphate|16839-32-0|98112-32-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5026259
ARPathway2016 ARPathway2016_384 Tris(2-ethylhexyl) phosphate 78-42-2 DTXSID0021414 0.0 R6 AR Pathway Model, Antagonist ACC 14.0615616058168 uM CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC Tris(2-ethylhexyl) phosphate 78-42-2|Tris(2-ethylhexyl) phosphate|2-Ethyl-1-hexanol phosphate|2-Ethylhexanol, phosphate triester|BRN 1715839|Disflamoll TOF|Durad TOP|EINECS 201-116-6|Flexol plasticizer TOF|Flexol TOF|fosfato de tris(2-etilhexilo)|Kronitex TOF|NCI-C54751|NSC 407921|Phosphate de tris(2-ethylhexyle)|Phosphoric acid, tris(2-ethylhexyl) ester|PHOSPHORIC ACID, TRIS(2-ETHYLHEXYL)ESTER|Phosphoric acid, tris(ethylhexyl) ester|Reomol TOF|TEHP|Tri(2-ethylhexyl) phosphate|Tri(2-ethylhexyl)phosphate|Triethylhexyl phosphate|TRIS-(2-AETHYLHEXYL)-PHOSPHAT|Tris-(2-ethylhexyl)fosfat|Tris-2(2-ethylhexyl)fosfat|Tris(2-ethylhexy)phosphate|Tris(2-ethylhexyl)phosphat|Tris(2-ethylhexyl)phosphate|Tris(ethylhexyl) phosphate|UNII-BQC0BKB72S|1546892-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021414 https://doi.org/10.22427/NTP-DATA-DTXSID0021414
ARPathway2016 ARPathway2016_384 Tris(2-ethylhexyl) phosphate 78-42-2 DTXSID0021414 0.0 R6 AR Pathway Model, Antagonist AC50 9.698434908 uM CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC Tris(2-ethylhexyl) phosphate 78-42-2|Tris(2-ethylhexyl) phosphate|2-Ethyl-1-hexanol phosphate|2-Ethylhexanol, phosphate triester|BRN 1715839|Disflamoll TOF|Durad TOP|EINECS 201-116-6|Flexol plasticizer TOF|Flexol TOF|fosfato de tris(2-etilhexilo)|Kronitex TOF|NCI-C54751|NSC 407921|Phosphate de tris(2-ethylhexyle)|Phosphoric acid, tris(2-ethylhexyl) ester|PHOSPHORIC ACID, TRIS(2-ETHYLHEXYL)ESTER|Phosphoric acid, tris(ethylhexyl) ester|Reomol TOF|TEHP|Tri(2-ethylhexyl) phosphate|Tri(2-ethylhexyl)phosphate|Triethylhexyl phosphate|TRIS-(2-AETHYLHEXYL)-PHOSPHAT|Tris-(2-ethylhexyl)fosfat|Tris-2(2-ethylhexyl)fosfat|Tris(2-ethylhexy)phosphate|Tris(2-ethylhexyl)phosphat|Tris(2-ethylhexyl)phosphate|Tris(ethylhexyl) phosphate|UNII-BQC0BKB72S|1546892-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021414 https://doi.org/10.22427/NTP-DATA-DTXSID0021414
ARPathway2016 ARPathway2016_384 Tris(2-ethylhexyl) phosphate 78-42-2 DTXSID0021414 0.0 R6 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC Tris(2-ethylhexyl) phosphate 78-42-2|Tris(2-ethylhexyl) phosphate|2-Ethyl-1-hexanol phosphate|2-Ethylhexanol, phosphate triester|BRN 1715839|Disflamoll TOF|Durad TOP|EINECS 201-116-6|Flexol plasticizer TOF|Flexol TOF|fosfato de tris(2-etilhexilo)|Kronitex TOF|NCI-C54751|NSC 407921|Phosphate de tris(2-ethylhexyle)|Phosphoric acid, tris(2-ethylhexyl) ester|PHOSPHORIC ACID, TRIS(2-ETHYLHEXYL)ESTER|Phosphoric acid, tris(ethylhexyl) ester|Reomol TOF|TEHP|Tri(2-ethylhexyl) phosphate|Tri(2-ethylhexyl)phosphate|Triethylhexyl phosphate|TRIS-(2-AETHYLHEXYL)-PHOSPHAT|Tris-(2-ethylhexyl)fosfat|Tris-2(2-ethylhexyl)fosfat|Tris(2-ethylhexy)phosphate|Tris(2-ethylhexyl)phosphat|Tris(2-ethylhexyl)phosphate|Tris(ethylhexyl) phosphate|UNII-BQC0BKB72S|1546892-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021414 https://doi.org/10.22427/NTP-DATA-DTXSID0021414
ARPathway2016 ARPathway2016_384 Tris(2-ethylhexyl) phosphate 78-42-2 DTXSID0021414 0.0 R6 AR Pathway Model, Agonist Model Score 0.0476 Unitless CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC Tris(2-ethylhexyl) phosphate 78-42-2|Tris(2-ethylhexyl) phosphate|2-Ethyl-1-hexanol phosphate|2-Ethylhexanol, phosphate triester|BRN 1715839|Disflamoll TOF|Durad TOP|EINECS 201-116-6|Flexol plasticizer TOF|Flexol TOF|fosfato de tris(2-etilhexilo)|Kronitex TOF|NCI-C54751|NSC 407921|Phosphate de tris(2-ethylhexyle)|Phosphoric acid, tris(2-ethylhexyl) ester|PHOSPHORIC ACID, TRIS(2-ETHYLHEXYL)ESTER|Phosphoric acid, tris(ethylhexyl) ester|Reomol TOF|TEHP|Tri(2-ethylhexyl) phosphate|Tri(2-ethylhexyl)phosphate|Triethylhexyl phosphate|TRIS-(2-AETHYLHEXYL)-PHOSPHAT|Tris-(2-ethylhexyl)fosfat|Tris-2(2-ethylhexyl)fosfat|Tris(2-ethylhexy)phosphate|Tris(2-ethylhexyl)phosphat|Tris(2-ethylhexyl)phosphate|Tris(ethylhexyl) phosphate|UNII-BQC0BKB72S|1546892-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021414 https://doi.org/10.22427/NTP-DATA-DTXSID0021414
ARPathway2016 ARPathway2016_384 Tris(2-ethylhexyl) phosphate 78-42-2 DTXSID0021414 0.0 R6 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC Tris(2-ethylhexyl) phosphate 78-42-2|Tris(2-ethylhexyl) phosphate|2-Ethyl-1-hexanol phosphate|2-Ethylhexanol, phosphate triester|BRN 1715839|Disflamoll TOF|Durad TOP|EINECS 201-116-6|Flexol plasticizer TOF|Flexol TOF|fosfato de tris(2-etilhexilo)|Kronitex TOF|NCI-C54751|NSC 407921|Phosphate de tris(2-ethylhexyle)|Phosphoric acid, tris(2-ethylhexyl) ester|PHOSPHORIC ACID, TRIS(2-ETHYLHEXYL)ESTER|Phosphoric acid, tris(ethylhexyl) ester|Reomol TOF|TEHP|Tri(2-ethylhexyl) phosphate|Tri(2-ethylhexyl)phosphate|Triethylhexyl phosphate|TRIS-(2-AETHYLHEXYL)-PHOSPHAT|Tris-(2-ethylhexyl)fosfat|Tris-2(2-ethylhexyl)fosfat|Tris(2-ethylhexy)phosphate|Tris(2-ethylhexyl)phosphat|Tris(2-ethylhexyl)phosphate|Tris(ethylhexyl) phosphate|UNII-BQC0BKB72S|1546892-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021414 https://doi.org/10.22427/NTP-DATA-DTXSID0021414
ARPathway2016 ARPathway2016_384 Tris(2-ethylhexyl) phosphate 78-42-2 DTXSID0021414 0.0 R6 AR Pathway Model, Antagonist Call Active Unitless CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC Tris(2-ethylhexyl) phosphate 78-42-2|Tris(2-ethylhexyl) phosphate|2-Ethyl-1-hexanol phosphate|2-Ethylhexanol, phosphate triester|BRN 1715839|Disflamoll TOF|Durad TOP|EINECS 201-116-6|Flexol plasticizer TOF|Flexol TOF|fosfato de tris(2-etilhexilo)|Kronitex TOF|NCI-C54751|NSC 407921|Phosphate de tris(2-ethylhexyle)|Phosphoric acid, tris(2-ethylhexyl) ester|PHOSPHORIC ACID, TRIS(2-ETHYLHEXYL)ESTER|Phosphoric acid, tris(ethylhexyl) ester|Reomol TOF|TEHP|Tri(2-ethylhexyl) phosphate|Tri(2-ethylhexyl)phosphate|Triethylhexyl phosphate|TRIS-(2-AETHYLHEXYL)-PHOSPHAT|Tris-(2-ethylhexyl)fosfat|Tris-2(2-ethylhexyl)fosfat|Tris(2-ethylhexy)phosphate|Tris(2-ethylhexyl)phosphat|Tris(2-ethylhexyl)phosphate|Tris(ethylhexyl) phosphate|UNII-BQC0BKB72S|1546892-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021414 https://doi.org/10.22427/NTP-DATA-DTXSID0021414
ERPathway2016 ERPathway2016_435 Tris(2-ethylhexyl) phosphate 78-42-2 DTXSID0021414 A13 ER Pathway Model, Antagonist AC50 3.54306831768461 uM CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC Tris(2-ethylhexyl) phosphate 78-42-2|Tris(2-ethylhexyl) phosphate|2-Ethyl-1-hexanol phosphate|2-Ethylhexanol, phosphate triester|BRN 1715839|Disflamoll TOF|Durad TOP|EINECS 201-116-6|Flexol plasticizer TOF|Flexol TOF|fosfato de tris(2-etilhexilo)|Kronitex TOF|NCI-C54751|NSC 407921|Phosphate de tris(2-ethylhexyle)|Phosphoric acid, tris(2-ethylhexyl) ester|PHOSPHORIC ACID, TRIS(2-ETHYLHEXYL)ESTER|Phosphoric acid, tris(ethylhexyl) ester|Reomol TOF|TEHP|Tri(2-ethylhexyl) phosphate|Tri(2-ethylhexyl)phosphate|Triethylhexyl phosphate|TRIS-(2-AETHYLHEXYL)-PHOSPHAT|Tris-(2-ethylhexyl)fosfat|Tris-2(2-ethylhexyl)fosfat|Tris(2-ethylhexy)phosphate|Tris(2-ethylhexyl)phosphat|Tris(2-ethylhexyl)phosphate|Tris(ethylhexyl) phosphate|UNII-BQC0BKB72S|1546892-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021414 https://doi.org/10.22427/NTP-DATA-DTXSID0021414
ERPathway2016 ERPathway2016_435 Tris(2-ethylhexyl) phosphate 78-42-2 DTXSID0021414 A13 ER Pathway Model, Antagonist ACC 3.258474472172 uM CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC Tris(2-ethylhexyl) phosphate 78-42-2|Tris(2-ethylhexyl) phosphate|2-Ethyl-1-hexanol phosphate|2-Ethylhexanol, phosphate triester|BRN 1715839|Disflamoll TOF|Durad TOP|EINECS 201-116-6|Flexol plasticizer TOF|Flexol TOF|fosfato de tris(2-etilhexilo)|Kronitex TOF|NCI-C54751|NSC 407921|Phosphate de tris(2-ethylhexyle)|Phosphoric acid, tris(2-ethylhexyl) ester|PHOSPHORIC ACID, TRIS(2-ETHYLHEXYL)ESTER|Phosphoric acid, tris(ethylhexyl) ester|Reomol TOF|TEHP|Tri(2-ethylhexyl) phosphate|Tri(2-ethylhexyl)phosphate|Triethylhexyl phosphate|TRIS-(2-AETHYLHEXYL)-PHOSPHAT|Tris-(2-ethylhexyl)fosfat|Tris-2(2-ethylhexyl)fosfat|Tris(2-ethylhexy)phosphate|Tris(2-ethylhexyl)phosphat|Tris(2-ethylhexyl)phosphate|Tris(ethylhexyl) phosphate|UNII-BQC0BKB72S|1546892-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021414 https://doi.org/10.22427/NTP-DATA-DTXSID0021414
ERPathway2016 ERPathway2016_435 Tris(2-ethylhexyl) phosphate 78-42-2 DTXSID0021414 A13 ER Pathway Model, Agonist Model Score 0.00568 Unitless CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC Tris(2-ethylhexyl) phosphate 78-42-2|Tris(2-ethylhexyl) phosphate|2-Ethyl-1-hexanol phosphate|2-Ethylhexanol, phosphate triester|BRN 1715839|Disflamoll TOF|Durad TOP|EINECS 201-116-6|Flexol plasticizer TOF|Flexol TOF|fosfato de tris(2-etilhexilo)|Kronitex TOF|NCI-C54751|NSC 407921|Phosphate de tris(2-ethylhexyle)|Phosphoric acid, tris(2-ethylhexyl) ester|PHOSPHORIC ACID, TRIS(2-ETHYLHEXYL)ESTER|Phosphoric acid, tris(ethylhexyl) ester|Reomol TOF|TEHP|Tri(2-ethylhexyl) phosphate|Tri(2-ethylhexyl)phosphate|Triethylhexyl phosphate|TRIS-(2-AETHYLHEXYL)-PHOSPHAT|Tris-(2-ethylhexyl)fosfat|Tris-2(2-ethylhexyl)fosfat|Tris(2-ethylhexy)phosphate|Tris(2-ethylhexyl)phosphat|Tris(2-ethylhexyl)phosphate|Tris(ethylhexyl) phosphate|UNII-BQC0BKB72S|1546892-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021414 https://doi.org/10.22427/NTP-DATA-DTXSID0021414
ERPathway2016 ERPathway2016_435 Tris(2-ethylhexyl) phosphate 78-42-2 DTXSID0021414 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC Tris(2-ethylhexyl) phosphate 78-42-2|Tris(2-ethylhexyl) phosphate|2-Ethyl-1-hexanol phosphate|2-Ethylhexanol, phosphate triester|BRN 1715839|Disflamoll TOF|Durad TOP|EINECS 201-116-6|Flexol plasticizer TOF|Flexol TOF|fosfato de tris(2-etilhexilo)|Kronitex TOF|NCI-C54751|NSC 407921|Phosphate de tris(2-ethylhexyle)|Phosphoric acid, tris(2-ethylhexyl) ester|PHOSPHORIC ACID, TRIS(2-ETHYLHEXYL)ESTER|Phosphoric acid, tris(ethylhexyl) ester|Reomol TOF|TEHP|Tri(2-ethylhexyl) phosphate|Tri(2-ethylhexyl)phosphate|Triethylhexyl phosphate|TRIS-(2-AETHYLHEXYL)-PHOSPHAT|Tris-(2-ethylhexyl)fosfat|Tris-2(2-ethylhexyl)fosfat|Tris(2-ethylhexy)phosphate|Tris(2-ethylhexyl)phosphat|Tris(2-ethylhexyl)phosphate|Tris(ethylhexyl) phosphate|UNII-BQC0BKB72S|1546892-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021414 https://doi.org/10.22427/NTP-DATA-DTXSID0021414
ERPathway2016 ERPathway2016_435 Tris(2-ethylhexyl) phosphate 78-42-2 DTXSID0021414 A13 ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC Tris(2-ethylhexyl) phosphate 78-42-2|Tris(2-ethylhexyl) phosphate|2-Ethyl-1-hexanol phosphate|2-Ethylhexanol, phosphate triester|BRN 1715839|Disflamoll TOF|Durad TOP|EINECS 201-116-6|Flexol plasticizer TOF|Flexol TOF|fosfato de tris(2-etilhexilo)|Kronitex TOF|NCI-C54751|NSC 407921|Phosphate de tris(2-ethylhexyle)|Phosphoric acid, tris(2-ethylhexyl) ester|PHOSPHORIC ACID, TRIS(2-ETHYLHEXYL)ESTER|Phosphoric acid, tris(ethylhexyl) ester|Reomol TOF|TEHP|Tri(2-ethylhexyl) phosphate|Tri(2-ethylhexyl)phosphate|Triethylhexyl phosphate|TRIS-(2-AETHYLHEXYL)-PHOSPHAT|Tris-(2-ethylhexyl)fosfat|Tris-2(2-ethylhexyl)fosfat|Tris(2-ethylhexy)phosphate|Tris(2-ethylhexyl)phosphat|Tris(2-ethylhexyl)phosphate|Tris(ethylhexyl) phosphate|UNII-BQC0BKB72S|1546892-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021414 https://doi.org/10.22427/NTP-DATA-DTXSID0021414
ERPathway2016 ERPathway2016_435 Tris(2-ethylhexyl) phosphate 78-42-2 DTXSID0021414 A13 ER Pathway Model, Antagonist Call Active Unitless CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC Tris(2-ethylhexyl) phosphate 78-42-2|Tris(2-ethylhexyl) phosphate|2-Ethyl-1-hexanol phosphate|2-Ethylhexanol, phosphate triester|BRN 1715839|Disflamoll TOF|Durad TOP|EINECS 201-116-6|Flexol plasticizer TOF|Flexol TOF|fosfato de tris(2-etilhexilo)|Kronitex TOF|NCI-C54751|NSC 407921|Phosphate de tris(2-ethylhexyle)|Phosphoric acid, tris(2-ethylhexyl) ester|PHOSPHORIC ACID, TRIS(2-ETHYLHEXYL)ESTER|Phosphoric acid, tris(ethylhexyl) ester|Reomol TOF|TEHP|Tri(2-ethylhexyl) phosphate|Tri(2-ethylhexyl)phosphate|Triethylhexyl phosphate|TRIS-(2-AETHYLHEXYL)-PHOSPHAT|Tris-(2-ethylhexyl)fosfat|Tris-2(2-ethylhexyl)fosfat|Tris(2-ethylhexy)phosphate|Tris(2-ethylhexyl)phosphat|Tris(2-ethylhexyl)phosphate|Tris(ethylhexyl) phosphate|UNII-BQC0BKB72S|1546892-14-1 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0021414 https://doi.org/10.22427/NTP-DATA-DTXSID0021414
ARPathway2016 ARPathway2016_1146 Tris(2-ethylhexyl) trimellitate 3319-31-1 DTXSID9026265 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=CC=C(C(=O)OCC(CC)CCCC)C(=C1)C(=O)OCC(CC)CCCC Tris(2-ethylhexyl) trimellitate 3319-31-1|Tris(2-ethylhexyl) trimellitate|1, 2, 4- Benzenetricarboxylic acid, 1, 2, 4- tris(2- ethylhexyl) ester|1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester|222-020-0|Acido 1,2,4-bencenotricarboxilico, 1,2,4-tris (2-etilhexil) ester|Adekacizer TOTM|ADK Cizer TOTM|benceno-1,2,4-tricarboxilato de tris(2-etilhexilo)|Benzene-1,2,4-tricarboxylate de tris(2-ethylhexyle)|Bisoflex TOT|BRN 2683525|Codan Set 43.4400|Diplast TM/ST|EC No.: 222-020-0|EINECS 222-020-0|Hatcol 200|Kodaflex TOTM|Monocizer W 700|Monocizer W 705|Monocizer W 710L|Monosizer W710L|Morflex 510|Nuoplaz 6959|Octyl trimellitate|Pelemol TOTM|Plasthall TOTM|Reomol OTM|Sansocizer TOTM|Staflex TOTM|TOTM|TOTM-I|TOTM-NB|Tri-2-ethylhexyl trimellitate|TRI-OCTYL TRIMELLITATE|TRIMELLITATE, TRI-2-ETHYLHEXYL|Trimellitic acid tris-2-ethylhexyl ester|Trimex T 08|Trioctyl 1,2,4-benzenetricarboxylate|Tris (2-ethylhexyl) trimellitate|TRIS-(2-ETHYLHEXYL)-TRIMELLITATE|Tris(2-ethylhexyl)benzene-1,2,4-tricarboxylate|TRIS(2-ETHYLHEXYL)BENZENE, 1,2,4-TRICARBOXYLATE|Tris(2-ethylhexyl)benz|113816-97-0|131734-05-9|144470-65-5|2093948-34-4|59941-46-7|75882-00-7|82643-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026265 https://doi.org/10.22427/NTP-DATA-DTXSID9026265
ARPathway2016 ARPathway2016_1146 Tris(2-ethylhexyl) trimellitate 3319-31-1 DTXSID9026265 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=CC=C(C(=O)OCC(CC)CCCC)C(=C1)C(=O)OCC(CC)CCCC Tris(2-ethylhexyl) trimellitate 3319-31-1|Tris(2-ethylhexyl) trimellitate|1, 2, 4- Benzenetricarboxylic acid, 1, 2, 4- tris(2- ethylhexyl) ester|1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester|222-020-0|Acido 1,2,4-bencenotricarboxilico, 1,2,4-tris (2-etilhexil) ester|Adekacizer TOTM|ADK Cizer TOTM|benceno-1,2,4-tricarboxilato de tris(2-etilhexilo)|Benzene-1,2,4-tricarboxylate de tris(2-ethylhexyle)|Bisoflex TOT|BRN 2683525|Codan Set 43.4400|Diplast TM/ST|EC No.: 222-020-0|EINECS 222-020-0|Hatcol 200|Kodaflex TOTM|Monocizer W 700|Monocizer W 705|Monocizer W 710L|Monosizer W710L|Morflex 510|Nuoplaz 6959|Octyl trimellitate|Pelemol TOTM|Plasthall TOTM|Reomol OTM|Sansocizer TOTM|Staflex TOTM|TOTM|TOTM-I|TOTM-NB|Tri-2-ethylhexyl trimellitate|TRI-OCTYL TRIMELLITATE|TRIMELLITATE, TRI-2-ETHYLHEXYL|Trimellitic acid tris-2-ethylhexyl ester|Trimex T 08|Trioctyl 1,2,4-benzenetricarboxylate|Tris (2-ethylhexyl) trimellitate|TRIS-(2-ETHYLHEXYL)-TRIMELLITATE|Tris(2-ethylhexyl)benzene-1,2,4-tricarboxylate|TRIS(2-ETHYLHEXYL)BENZENE, 1,2,4-TRICARBOXYLATE|Tris(2-ethylhexyl)benz|113816-97-0|131734-05-9|144470-65-5|2093948-34-4|59941-46-7|75882-00-7|82643-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026265 https://doi.org/10.22427/NTP-DATA-DTXSID9026265
ARPathway2016 ARPathway2016_1146 Tris(2-ethylhexyl) trimellitate 3319-31-1 DTXSID9026265 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=CC=C(C(=O)OCC(CC)CCCC)C(=C1)C(=O)OCC(CC)CCCC Tris(2-ethylhexyl) trimellitate 3319-31-1|Tris(2-ethylhexyl) trimellitate|1, 2, 4- Benzenetricarboxylic acid, 1, 2, 4- tris(2- ethylhexyl) ester|1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester|222-020-0|Acido 1,2,4-bencenotricarboxilico, 1,2,4-tris (2-etilhexil) ester|Adekacizer TOTM|ADK Cizer TOTM|benceno-1,2,4-tricarboxilato de tris(2-etilhexilo)|Benzene-1,2,4-tricarboxylate de tris(2-ethylhexyle)|Bisoflex TOT|BRN 2683525|Codan Set 43.4400|Diplast TM/ST|EC No.: 222-020-0|EINECS 222-020-0|Hatcol 200|Kodaflex TOTM|Monocizer W 700|Monocizer W 705|Monocizer W 710L|Monosizer W710L|Morflex 510|Nuoplaz 6959|Octyl trimellitate|Pelemol TOTM|Plasthall TOTM|Reomol OTM|Sansocizer TOTM|Staflex TOTM|TOTM|TOTM-I|TOTM-NB|Tri-2-ethylhexyl trimellitate|TRI-OCTYL TRIMELLITATE|TRIMELLITATE, TRI-2-ETHYLHEXYL|Trimellitic acid tris-2-ethylhexyl ester|Trimex T 08|Trioctyl 1,2,4-benzenetricarboxylate|Tris (2-ethylhexyl) trimellitate|TRIS-(2-ETHYLHEXYL)-TRIMELLITATE|Tris(2-ethylhexyl)benzene-1,2,4-tricarboxylate|TRIS(2-ETHYLHEXYL)BENZENE, 1,2,4-TRICARBOXYLATE|Tris(2-ethylhexyl)benz|113816-97-0|131734-05-9|144470-65-5|2093948-34-4|59941-46-7|75882-00-7|82643-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026265 https://doi.org/10.22427/NTP-DATA-DTXSID9026265
ARPathway2016 ARPathway2016_1146 Tris(2-ethylhexyl) trimellitate 3319-31-1 DTXSID9026265 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=CC=C(C(=O)OCC(CC)CCCC)C(=C1)C(=O)OCC(CC)CCCC Tris(2-ethylhexyl) trimellitate 3319-31-1|Tris(2-ethylhexyl) trimellitate|1, 2, 4- Benzenetricarboxylic acid, 1, 2, 4- tris(2- ethylhexyl) ester|1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester|222-020-0|Acido 1,2,4-bencenotricarboxilico, 1,2,4-tris (2-etilhexil) ester|Adekacizer TOTM|ADK Cizer TOTM|benceno-1,2,4-tricarboxilato de tris(2-etilhexilo)|Benzene-1,2,4-tricarboxylate de tris(2-ethylhexyle)|Bisoflex TOT|BRN 2683525|Codan Set 43.4400|Diplast TM/ST|EC No.: 222-020-0|EINECS 222-020-0|Hatcol 200|Kodaflex TOTM|Monocizer W 700|Monocizer W 705|Monocizer W 710L|Monosizer W710L|Morflex 510|Nuoplaz 6959|Octyl trimellitate|Pelemol TOTM|Plasthall TOTM|Reomol OTM|Sansocizer TOTM|Staflex TOTM|TOTM|TOTM-I|TOTM-NB|Tri-2-ethylhexyl trimellitate|TRI-OCTYL TRIMELLITATE|TRIMELLITATE, TRI-2-ETHYLHEXYL|Trimellitic acid tris-2-ethylhexyl ester|Trimex T 08|Trioctyl 1,2,4-benzenetricarboxylate|Tris (2-ethylhexyl) trimellitate|TRIS-(2-ETHYLHEXYL)-TRIMELLITATE|Tris(2-ethylhexyl)benzene-1,2,4-tricarboxylate|TRIS(2-ETHYLHEXYL)BENZENE, 1,2,4-TRICARBOXYLATE|Tris(2-ethylhexyl)benz|113816-97-0|131734-05-9|144470-65-5|2093948-34-4|59941-46-7|75882-00-7|82643-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026265 https://doi.org/10.22427/NTP-DATA-DTXSID9026265
ERPathway2016 ERPathway2016_228 Tris(2-ethylhexyl) trimellitate 3319-31-1 DTXSID9026265 Agonist ER Pathway Model, Antagonist AC50 44.5503606199792 uM CCCCC(CC)COC(=O)C1=CC=C(C(=O)OCC(CC)CCCC)C(=C1)C(=O)OCC(CC)CCCC Tris(2-ethylhexyl) trimellitate 3319-31-1|Tris(2-ethylhexyl) trimellitate|1, 2, 4- Benzenetricarboxylic acid, 1, 2, 4- tris(2- ethylhexyl) ester|1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester|222-020-0|Acido 1,2,4-bencenotricarboxilico, 1,2,4-tris (2-etilhexil) ester|Adekacizer TOTM|ADK Cizer TOTM|benceno-1,2,4-tricarboxilato de tris(2-etilhexilo)|Benzene-1,2,4-tricarboxylate de tris(2-ethylhexyle)|Bisoflex TOT|BRN 2683525|Codan Set 43.4400|Diplast TM/ST|EC No.: 222-020-0|EINECS 222-020-0|Hatcol 200|Kodaflex TOTM|Monocizer W 700|Monocizer W 705|Monocizer W 710L|Monosizer W710L|Morflex 510|Nuoplaz 6959|Octyl trimellitate|Pelemol TOTM|Plasthall TOTM|Reomol OTM|Sansocizer TOTM|Staflex TOTM|TOTM|TOTM-I|TOTM-NB|Tri-2-ethylhexyl trimellitate|TRI-OCTYL TRIMELLITATE|TRIMELLITATE, TRI-2-ETHYLHEXYL|Trimellitic acid tris-2-ethylhexyl ester|Trimex T 08|Trioctyl 1,2,4-benzenetricarboxylate|Tris (2-ethylhexyl) trimellitate|TRIS-(2-ETHYLHEXYL)-TRIMELLITATE|Tris(2-ethylhexyl)benzene-1,2,4-tricarboxylate|TRIS(2-ETHYLHEXYL)BENZENE, 1,2,4-TRICARBOXYLATE|Tris(2-ethylhexyl)benz|113816-97-0|131734-05-9|144470-65-5|2093948-34-4|59941-46-7|75882-00-7|82643-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026265 https://doi.org/10.22427/NTP-DATA-DTXSID9026265
ERPathway2016 ERPathway2016_228 Tris(2-ethylhexyl) trimellitate 3319-31-1 DTXSID9026265 Agonist ER Pathway Model, Antagonist ACC 22.8394933776476 uM CCCCC(CC)COC(=O)C1=CC=C(C(=O)OCC(CC)CCCC)C(=C1)C(=O)OCC(CC)CCCC Tris(2-ethylhexyl) trimellitate 3319-31-1|Tris(2-ethylhexyl) trimellitate|1, 2, 4- Benzenetricarboxylic acid, 1, 2, 4- tris(2- ethylhexyl) ester|1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester|222-020-0|Acido 1,2,4-bencenotricarboxilico, 1,2,4-tris (2-etilhexil) ester|Adekacizer TOTM|ADK Cizer TOTM|benceno-1,2,4-tricarboxilato de tris(2-etilhexilo)|Benzene-1,2,4-tricarboxylate de tris(2-ethylhexyle)|Bisoflex TOT|BRN 2683525|Codan Set 43.4400|Diplast TM/ST|EC No.: 222-020-0|EINECS 222-020-0|Hatcol 200|Kodaflex TOTM|Monocizer W 700|Monocizer W 705|Monocizer W 710L|Monosizer W710L|Morflex 510|Nuoplaz 6959|Octyl trimellitate|Pelemol TOTM|Plasthall TOTM|Reomol OTM|Sansocizer TOTM|Staflex TOTM|TOTM|TOTM-I|TOTM-NB|Tri-2-ethylhexyl trimellitate|TRI-OCTYL TRIMELLITATE|TRIMELLITATE, TRI-2-ETHYLHEXYL|Trimellitic acid tris-2-ethylhexyl ester|Trimex T 08|Trioctyl 1,2,4-benzenetricarboxylate|Tris (2-ethylhexyl) trimellitate|TRIS-(2-ETHYLHEXYL)-TRIMELLITATE|Tris(2-ethylhexyl)benzene-1,2,4-tricarboxylate|TRIS(2-ETHYLHEXYL)BENZENE, 1,2,4-TRICARBOXYLATE|Tris(2-ethylhexyl)benz|113816-97-0|131734-05-9|144470-65-5|2093948-34-4|59941-46-7|75882-00-7|82643-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026265 https://doi.org/10.22427/NTP-DATA-DTXSID9026265
ERPathway2016 ERPathway2016_228 Tris(2-ethylhexyl) trimellitate 3319-31-1 DTXSID9026265 Agonist ER Pathway Model, Agonist Model Score 0.115 Unitless CCCCC(CC)COC(=O)C1=CC=C(C(=O)OCC(CC)CCCC)C(=C1)C(=O)OCC(CC)CCCC Tris(2-ethylhexyl) trimellitate 3319-31-1|Tris(2-ethylhexyl) trimellitate|1, 2, 4- Benzenetricarboxylic acid, 1, 2, 4- tris(2- ethylhexyl) ester|1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester|222-020-0|Acido 1,2,4-bencenotricarboxilico, 1,2,4-tris (2-etilhexil) ester|Adekacizer TOTM|ADK Cizer TOTM|benceno-1,2,4-tricarboxilato de tris(2-etilhexilo)|Benzene-1,2,4-tricarboxylate de tris(2-ethylhexyle)|Bisoflex TOT|BRN 2683525|Codan Set 43.4400|Diplast TM/ST|EC No.: 222-020-0|EINECS 222-020-0|Hatcol 200|Kodaflex TOTM|Monocizer W 700|Monocizer W 705|Monocizer W 710L|Monosizer W710L|Morflex 510|Nuoplaz 6959|Octyl trimellitate|Pelemol TOTM|Plasthall TOTM|Reomol OTM|Sansocizer TOTM|Staflex TOTM|TOTM|TOTM-I|TOTM-NB|Tri-2-ethylhexyl trimellitate|TRI-OCTYL TRIMELLITATE|TRIMELLITATE, TRI-2-ETHYLHEXYL|Trimellitic acid tris-2-ethylhexyl ester|Trimex T 08|Trioctyl 1,2,4-benzenetricarboxylate|Tris (2-ethylhexyl) trimellitate|TRIS-(2-ETHYLHEXYL)-TRIMELLITATE|Tris(2-ethylhexyl)benzene-1,2,4-tricarboxylate|TRIS(2-ETHYLHEXYL)BENZENE, 1,2,4-TRICARBOXYLATE|Tris(2-ethylhexyl)benz|113816-97-0|131734-05-9|144470-65-5|2093948-34-4|59941-46-7|75882-00-7|82643-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026265 https://doi.org/10.22427/NTP-DATA-DTXSID9026265
ERPathway2016 ERPathway2016_228 Tris(2-ethylhexyl) trimellitate 3319-31-1 DTXSID9026265 Agonist ER Pathway Model, Antagonist Model Score 0 Unitless CCCCC(CC)COC(=O)C1=CC=C(C(=O)OCC(CC)CCCC)C(=C1)C(=O)OCC(CC)CCCC Tris(2-ethylhexyl) trimellitate 3319-31-1|Tris(2-ethylhexyl) trimellitate|1, 2, 4- Benzenetricarboxylic acid, 1, 2, 4- tris(2- ethylhexyl) ester|1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester|222-020-0|Acido 1,2,4-bencenotricarboxilico, 1,2,4-tris (2-etilhexil) ester|Adekacizer TOTM|ADK Cizer TOTM|benceno-1,2,4-tricarboxilato de tris(2-etilhexilo)|Benzene-1,2,4-tricarboxylate de tris(2-ethylhexyle)|Bisoflex TOT|BRN 2683525|Codan Set 43.4400|Diplast TM/ST|EC No.: 222-020-0|EINECS 222-020-0|Hatcol 200|Kodaflex TOTM|Monocizer W 700|Monocizer W 705|Monocizer W 710L|Monosizer W710L|Morflex 510|Nuoplaz 6959|Octyl trimellitate|Pelemol TOTM|Plasthall TOTM|Reomol OTM|Sansocizer TOTM|Staflex TOTM|TOTM|TOTM-I|TOTM-NB|Tri-2-ethylhexyl trimellitate|TRI-OCTYL TRIMELLITATE|TRIMELLITATE, TRI-2-ETHYLHEXYL|Trimellitic acid tris-2-ethylhexyl ester|Trimex T 08|Trioctyl 1,2,4-benzenetricarboxylate|Tris (2-ethylhexyl) trimellitate|TRIS-(2-ETHYLHEXYL)-TRIMELLITATE|Tris(2-ethylhexyl)benzene-1,2,4-tricarboxylate|TRIS(2-ETHYLHEXYL)BENZENE, 1,2,4-TRICARBOXYLATE|Tris(2-ethylhexyl)benz|113816-97-0|131734-05-9|144470-65-5|2093948-34-4|59941-46-7|75882-00-7|82643-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026265 https://doi.org/10.22427/NTP-DATA-DTXSID9026265
ERPathway2016 ERPathway2016_228 Tris(2-ethylhexyl) trimellitate 3319-31-1 DTXSID9026265 Agonist ER Pathway Model, Agonist Call Inactive Unitless CCCCC(CC)COC(=O)C1=CC=C(C(=O)OCC(CC)CCCC)C(=C1)C(=O)OCC(CC)CCCC Tris(2-ethylhexyl) trimellitate 3319-31-1|Tris(2-ethylhexyl) trimellitate|1, 2, 4- Benzenetricarboxylic acid, 1, 2, 4- tris(2- ethylhexyl) ester|1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester|222-020-0|Acido 1,2,4-bencenotricarboxilico, 1,2,4-tris (2-etilhexil) ester|Adekacizer TOTM|ADK Cizer TOTM|benceno-1,2,4-tricarboxilato de tris(2-etilhexilo)|Benzene-1,2,4-tricarboxylate de tris(2-ethylhexyle)|Bisoflex TOT|BRN 2683525|Codan Set 43.4400|Diplast TM/ST|EC No.: 222-020-0|EINECS 222-020-0|Hatcol 200|Kodaflex TOTM|Monocizer W 700|Monocizer W 705|Monocizer W 710L|Monosizer W710L|Morflex 510|Nuoplaz 6959|Octyl trimellitate|Pelemol TOTM|Plasthall TOTM|Reomol OTM|Sansocizer TOTM|Staflex TOTM|TOTM|TOTM-I|TOTM-NB|Tri-2-ethylhexyl trimellitate|TRI-OCTYL TRIMELLITATE|TRIMELLITATE, TRI-2-ETHYLHEXYL|Trimellitic acid tris-2-ethylhexyl ester|Trimex T 08|Trioctyl 1,2,4-benzenetricarboxylate|Tris (2-ethylhexyl) trimellitate|TRIS-(2-ETHYLHEXYL)-TRIMELLITATE|Tris(2-ethylhexyl)benzene-1,2,4-tricarboxylate|TRIS(2-ETHYLHEXYL)BENZENE, 1,2,4-TRICARBOXYLATE|Tris(2-ethylhexyl)benz|113816-97-0|131734-05-9|144470-65-5|2093948-34-4|59941-46-7|75882-00-7|82643-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026265 https://doi.org/10.22427/NTP-DATA-DTXSID9026265
ERPathway2016 ERPathway2016_228 Tris(2-ethylhexyl) trimellitate 3319-31-1 DTXSID9026265 Agonist ER Pathway Model, Antagonist Call Active Unitless CCCCC(CC)COC(=O)C1=CC=C(C(=O)OCC(CC)CCCC)C(=C1)C(=O)OCC(CC)CCCC Tris(2-ethylhexyl) trimellitate 3319-31-1|Tris(2-ethylhexyl) trimellitate|1, 2, 4- Benzenetricarboxylic acid, 1, 2, 4- tris(2- ethylhexyl) ester|1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester|222-020-0|Acido 1,2,4-bencenotricarboxilico, 1,2,4-tris (2-etilhexil) ester|Adekacizer TOTM|ADK Cizer TOTM|benceno-1,2,4-tricarboxilato de tris(2-etilhexilo)|Benzene-1,2,4-tricarboxylate de tris(2-ethylhexyle)|Bisoflex TOT|BRN 2683525|Codan Set 43.4400|Diplast TM/ST|EC No.: 222-020-0|EINECS 222-020-0|Hatcol 200|Kodaflex TOTM|Monocizer W 700|Monocizer W 705|Monocizer W 710L|Monosizer W710L|Morflex 510|Nuoplaz 6959|Octyl trimellitate|Pelemol TOTM|Plasthall TOTM|Reomol OTM|Sansocizer TOTM|Staflex TOTM|TOTM|TOTM-I|TOTM-NB|Tri-2-ethylhexyl trimellitate|TRI-OCTYL TRIMELLITATE|TRIMELLITATE, TRI-2-ETHYLHEXYL|Trimellitic acid tris-2-ethylhexyl ester|Trimex T 08|Trioctyl 1,2,4-benzenetricarboxylate|Tris (2-ethylhexyl) trimellitate|TRIS-(2-ETHYLHEXYL)-TRIMELLITATE|Tris(2-ethylhexyl)benzene-1,2,4-tricarboxylate|TRIS(2-ETHYLHEXYL)BENZENE, 1,2,4-TRICARBOXYLATE|Tris(2-ethylhexyl)benz|113816-97-0|131734-05-9|144470-65-5|2093948-34-4|59941-46-7|75882-00-7|82643-26-3 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9026265 https://doi.org/10.22427/NTP-DATA-DTXSID9026265
ARPathway2016 ARPathway2016_482 Tris(2-methoxyethoxy)vinylsilane 1067-53-4 DTXSID5027356 1.0 A7 AR Pathway Model, Antagonist Model Score 0 Unitless COCCO[Si](OCCOC)(OCCOC)C=C Tris(2-methoxyethoxy)vinylsilane 1067-53-4|Tris(2-methoxyethoxy)vinylsilane|(Tris(p-methoxyethoxy))vinylsilane|2,5,7,10-TETRAOXA-6-SILAUNDECANE, 6-ETHENYL-6- (2-METHOXYETHOXY)-|2,5,7,10-Tetraoxa-6-silaundecane, 6-ethenyl-6-(2-methoxyethoxy)-|4-04-00-04257|6-Ethenyl-6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane|BRN 1795316|Dynasylan VTMOEO|EINECS 213-934-0|NSC 78465|Silane A 172|Silane, tris(2-methoxyethoxy)vinyl-|SILANE, VINYL-TRIS(2-METHOXYETHYOXY)|Silicone A-172|Silox VS 924|Silquest A 172|Struktol SCA 972|Tris(2-methoxyethoxy)vinylsilan|tris(2-metoxietoxi)vinilsilano|Tris(methoxyethoxy)vinylsilane|Tris(methoxyethxy)vinylsilane|Tris(b-methoxyethoxy)vinylsilane|UNC-A 172|UNII-907I50BC2S|Vinyltri(b-methoxyethoxy)silane|Vinyltris(2-methoxyethoxy)silane|Vinyltris(methoxyethoxy)silane|Vinyltris(b-methoxyethoxy)silane|59250-02-1|609347-89-9|947734-83-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027356
ARPathway2016 ARPathway2016_482 Tris(2-methoxyethoxy)vinylsilane 1067-53-4 DTXSID5027356 1.0 A7 AR Pathway Model, Agonist Model Score 0 Unitless COCCO[Si](OCCOC)(OCCOC)C=C Tris(2-methoxyethoxy)vinylsilane 1067-53-4|Tris(2-methoxyethoxy)vinylsilane|(Tris(p-methoxyethoxy))vinylsilane|2,5,7,10-TETRAOXA-6-SILAUNDECANE, 6-ETHENYL-6- (2-METHOXYETHOXY)-|2,5,7,10-Tetraoxa-6-silaundecane, 6-ethenyl-6-(2-methoxyethoxy)-|4-04-00-04257|6-Ethenyl-6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane|BRN 1795316|Dynasylan VTMOEO|EINECS 213-934-0|NSC 78465|Silane A 172|Silane, tris(2-methoxyethoxy)vinyl-|SILANE, VINYL-TRIS(2-METHOXYETHYOXY)|Silicone A-172|Silox VS 924|Silquest A 172|Struktol SCA 972|Tris(2-methoxyethoxy)vinylsilan|tris(2-metoxietoxi)vinilsilano|Tris(methoxyethoxy)vinylsilane|Tris(methoxyethxy)vinylsilane|Tris(b-methoxyethoxy)vinylsilane|UNC-A 172|UNII-907I50BC2S|Vinyltri(b-methoxyethoxy)silane|Vinyltris(2-methoxyethoxy)silane|Vinyltris(methoxyethoxy)silane|Vinyltris(b-methoxyethoxy)silane|59250-02-1|609347-89-9|947734-83-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027356
ARPathway2016 ARPathway2016_482 Tris(2-methoxyethoxy)vinylsilane 1067-53-4 DTXSID5027356 1.0 A7 AR Pathway Model, Agonist Call Inactive Unitless COCCO[Si](OCCOC)(OCCOC)C=C Tris(2-methoxyethoxy)vinylsilane 1067-53-4|Tris(2-methoxyethoxy)vinylsilane|(Tris(p-methoxyethoxy))vinylsilane|2,5,7,10-TETRAOXA-6-SILAUNDECANE, 6-ETHENYL-6- (2-METHOXYETHOXY)-|2,5,7,10-Tetraoxa-6-silaundecane, 6-ethenyl-6-(2-methoxyethoxy)-|4-04-00-04257|6-Ethenyl-6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane|BRN 1795316|Dynasylan VTMOEO|EINECS 213-934-0|NSC 78465|Silane A 172|Silane, tris(2-methoxyethoxy)vinyl-|SILANE, VINYL-TRIS(2-METHOXYETHYOXY)|Silicone A-172|Silox VS 924|Silquest A 172|Struktol SCA 972|Tris(2-methoxyethoxy)vinylsilan|tris(2-metoxietoxi)vinilsilano|Tris(methoxyethoxy)vinylsilane|Tris(methoxyethxy)vinylsilane|Tris(b-methoxyethoxy)vinylsilane|UNC-A 172|UNII-907I50BC2S|Vinyltri(b-methoxyethoxy)silane|Vinyltris(2-methoxyethoxy)silane|Vinyltris(methoxyethoxy)silane|Vinyltris(b-methoxyethoxy)silane|59250-02-1|609347-89-9|947734-83-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027356
ARPathway2016 ARPathway2016_482 Tris(2-methoxyethoxy)vinylsilane 1067-53-4 DTXSID5027356 1.0 A7 AR Pathway Model, Antagonist Call Inactive Unitless COCCO[Si](OCCOC)(OCCOC)C=C Tris(2-methoxyethoxy)vinylsilane 1067-53-4|Tris(2-methoxyethoxy)vinylsilane|(Tris(p-methoxyethoxy))vinylsilane|2,5,7,10-TETRAOXA-6-SILAUNDECANE, 6-ETHENYL-6- (2-METHOXYETHOXY)-|2,5,7,10-Tetraoxa-6-silaundecane, 6-ethenyl-6-(2-methoxyethoxy)-|4-04-00-04257|6-Ethenyl-6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane|BRN 1795316|Dynasylan VTMOEO|EINECS 213-934-0|NSC 78465|Silane A 172|Silane, tris(2-methoxyethoxy)vinyl-|SILANE, VINYL-TRIS(2-METHOXYETHYOXY)|Silicone A-172|Silox VS 924|Silquest A 172|Struktol SCA 972|Tris(2-methoxyethoxy)vinylsilan|tris(2-metoxietoxi)vinilsilano|Tris(methoxyethoxy)vinylsilane|Tris(methoxyethxy)vinylsilane|Tris(b-methoxyethoxy)vinylsilane|UNC-A 172|UNII-907I50BC2S|Vinyltri(b-methoxyethoxy)silane|Vinyltris(2-methoxyethoxy)silane|Vinyltris(methoxyethoxy)silane|Vinyltris(b-methoxyethoxy)silane|59250-02-1|609347-89-9|947734-83-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027356
ERPathway2016 ERPathway2016_1093 Tris(2-methoxyethoxy)vinylsilane 1067-53-4 DTXSID5027356 ER Pathway Model, Agonist Model Score 0 Unitless COCCO[Si](OCCOC)(OCCOC)C=C Tris(2-methoxyethoxy)vinylsilane 1067-53-4|Tris(2-methoxyethoxy)vinylsilane|(Tris(p-methoxyethoxy))vinylsilane|2,5,7,10-TETRAOXA-6-SILAUNDECANE, 6-ETHENYL-6- (2-METHOXYETHOXY)-|2,5,7,10-Tetraoxa-6-silaundecane, 6-ethenyl-6-(2-methoxyethoxy)-|4-04-00-04257|6-Ethenyl-6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane|BRN 1795316|Dynasylan VTMOEO|EINECS 213-934-0|NSC 78465|Silane A 172|Silane, tris(2-methoxyethoxy)vinyl-|SILANE, VINYL-TRIS(2-METHOXYETHYOXY)|Silicone A-172|Silox VS 924|Silquest A 172|Struktol SCA 972|Tris(2-methoxyethoxy)vinylsilan|tris(2-metoxietoxi)vinilsilano|Tris(methoxyethoxy)vinylsilane|Tris(methoxyethxy)vinylsilane|Tris(b-methoxyethoxy)vinylsilane|UNC-A 172|UNII-907I50BC2S|Vinyltri(b-methoxyethoxy)silane|Vinyltris(2-methoxyethoxy)silane|Vinyltris(methoxyethoxy)silane|Vinyltris(b-methoxyethoxy)silane|59250-02-1|609347-89-9|947734-83-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027356
ERPathway2016 ERPathway2016_1093 Tris(2-methoxyethoxy)vinylsilane 1067-53-4 DTXSID5027356 ER Pathway Model, Antagonist Model Score 0 Unitless COCCO[Si](OCCOC)(OCCOC)C=C Tris(2-methoxyethoxy)vinylsilane 1067-53-4|Tris(2-methoxyethoxy)vinylsilane|(Tris(p-methoxyethoxy))vinylsilane|2,5,7,10-TETRAOXA-6-SILAUNDECANE, 6-ETHENYL-6- (2-METHOXYETHOXY)-|2,5,7,10-Tetraoxa-6-silaundecane, 6-ethenyl-6-(2-methoxyethoxy)-|4-04-00-04257|6-Ethenyl-6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane|BRN 1795316|Dynasylan VTMOEO|EINECS 213-934-0|NSC 78465|Silane A 172|Silane, tris(2-methoxyethoxy)vinyl-|SILANE, VINYL-TRIS(2-METHOXYETHYOXY)|Silicone A-172|Silox VS 924|Silquest A 172|Struktol SCA 972|Tris(2-methoxyethoxy)vinylsilan|tris(2-metoxietoxi)vinilsilano|Tris(methoxyethoxy)vinylsilane|Tris(methoxyethxy)vinylsilane|Tris(b-methoxyethoxy)vinylsilane|UNC-A 172|UNII-907I50BC2S|Vinyltri(b-methoxyethoxy)silane|Vinyltris(2-methoxyethoxy)silane|Vinyltris(methoxyethoxy)silane|Vinyltris(b-methoxyethoxy)silane|59250-02-1|609347-89-9|947734-83-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027356
ERPathway2016 ERPathway2016_1093 Tris(2-methoxyethoxy)vinylsilane 1067-53-4 DTXSID5027356 ER Pathway Model, Agonist Call Inactive Unitless COCCO[Si](OCCOC)(OCCOC)C=C Tris(2-methoxyethoxy)vinylsilane 1067-53-4|Tris(2-methoxyethoxy)vinylsilane|(Tris(p-methoxyethoxy))vinylsilane|2,5,7,10-TETRAOXA-6-SILAUNDECANE, 6-ETHENYL-6- (2-METHOXYETHOXY)-|2,5,7,10-Tetraoxa-6-silaundecane, 6-ethenyl-6-(2-methoxyethoxy)-|4-04-00-04257|6-Ethenyl-6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane|BRN 1795316|Dynasylan VTMOEO|EINECS 213-934-0|NSC 78465|Silane A 172|Silane, tris(2-methoxyethoxy)vinyl-|SILANE, VINYL-TRIS(2-METHOXYETHYOXY)|Silicone A-172|Silox VS 924|Silquest A 172|Struktol SCA 972|Tris(2-methoxyethoxy)vinylsilan|tris(2-metoxietoxi)vinilsilano|Tris(methoxyethoxy)vinylsilane|Tris(methoxyethxy)vinylsilane|Tris(b-methoxyethoxy)vinylsilane|UNC-A 172|UNII-907I50BC2S|Vinyltri(b-methoxyethoxy)silane|Vinyltris(2-methoxyethoxy)silane|Vinyltris(methoxyethoxy)silane|Vinyltris(b-methoxyethoxy)silane|59250-02-1|609347-89-9|947734-83-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027356
ERPathway2016 ERPathway2016_1093 Tris(2-methoxyethoxy)vinylsilane 1067-53-4 DTXSID5027356 ER Pathway Model, Antagonist Call Inactive Unitless COCCO[Si](OCCOC)(OCCOC)C=C Tris(2-methoxyethoxy)vinylsilane 1067-53-4|Tris(2-methoxyethoxy)vinylsilane|(Tris(p-methoxyethoxy))vinylsilane|2,5,7,10-TETRAOXA-6-SILAUNDECANE, 6-ETHENYL-6- (2-METHOXYETHOXY)-|2,5,7,10-Tetraoxa-6-silaundecane, 6-ethenyl-6-(2-methoxyethoxy)-|4-04-00-04257|6-Ethenyl-6-(2-methoxyethoxy)-2,5,7,10-tetraoxa-6-silaundecane|BRN 1795316|Dynasylan VTMOEO|EINECS 213-934-0|NSC 78465|Silane A 172|Silane, tris(2-methoxyethoxy)vinyl-|SILANE, VINYL-TRIS(2-METHOXYETHYOXY)|Silicone A-172|Silox VS 924|Silquest A 172|Struktol SCA 972|Tris(2-methoxyethoxy)vinylsilan|tris(2-metoxietoxi)vinilsilano|Tris(methoxyethoxy)vinylsilane|Tris(methoxyethxy)vinylsilane|Tris(b-methoxyethoxy)vinylsilane|UNC-A 172|UNII-907I50BC2S|Vinyltri(b-methoxyethoxy)silane|Vinyltris(2-methoxyethoxy)silane|Vinyltris(methoxyethoxy)silane|Vinyltris(b-methoxyethoxy)silane|59250-02-1|609347-89-9|947734-83-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5027356
ARPathway2016 ARPathway2016_59 Tris(methylphenyl) phosphate 1330-78-5 DTXSID4021391 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist AC50 41.6901401012661 uM Tris(methylphenyl) phosphate 1330-78-5|Tris(methylphenyl) phosphate|Caswell No. 884|Celluflex 179C|Cresyl phosphate|Disflamoll TKP|EINECS 215-548-8|EPA Pesticide Chemical Code 083401|Flexol Plasticizer TCP|fosfato de tris(metilfenilo)|Fyrquel 150|Kronitex|Kronitex R|Kronitex TCP|NCI-C61041|Nissan Unflame TCP|Phosflex 179A|Phosflex TCP|Phosphate de tricresyle|Phosphate de tris(methylphenyle)|Phosphlex 179A|Phosphoric acid tricresyl ester|Phosphoric acid tris(methylphenyl) ester|Phosphoric acid, tris(methylphenyl) ester|PHOSPHORIC ACID, TRIS(METHYLPHENYL)ESTER|Phosphoric acid, tritolyl ester|Reomol TCP|Sansocizer TCP|Sumiguard TBT|Syn-O-Ad 8484|TCP|Thiorthocresyl phosphate|TMPP|Tricresilfosfati|Tricresol phosphate|Tricresyl orthophosphate|Tricresyl phosphate|Tricresylfosfaten|Trikresylfosfat|Trikresylphosphate|Tris(methylphenyl)phosphat|Tris(tolyloxy)phosphine oxide|Tritolyl phosphate|Tritolylfosfat|TRITOLYLPHOSPHAT|UN 2574|UNII-512641US16|1259372-53-6|2107376-26-9|25013-17-6|34902-62-0|56499-45-7|56573-10-5|69234-04-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021391 https://doi.org/10.22427/NTP-DATA-DTXSID4021391
ARPathway2016 ARPathway2016_59 Tris(methylphenyl) phosphate 1330-78-5 DTXSID4021391 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist ACC 95.4400224840921 uM Tris(methylphenyl) phosphate 1330-78-5|Tris(methylphenyl) phosphate|Caswell No. 884|Celluflex 179C|Cresyl phosphate|Disflamoll TKP|EINECS 215-548-8|EPA Pesticide Chemical Code 083401|Flexol Plasticizer TCP|fosfato de tris(metilfenilo)|Fyrquel 150|Kronitex|Kronitex R|Kronitex TCP|NCI-C61041|Nissan Unflame TCP|Phosflex 179A|Phosflex TCP|Phosphate de tricresyle|Phosphate de tris(methylphenyle)|Phosphlex 179A|Phosphoric acid tricresyl ester|Phosphoric acid tris(methylphenyl) ester|Phosphoric acid, tris(methylphenyl) ester|PHOSPHORIC ACID, TRIS(METHYLPHENYL)ESTER|Phosphoric acid, tritolyl ester|Reomol TCP|Sansocizer TCP|Sumiguard TBT|Syn-O-Ad 8484|TCP|Thiorthocresyl phosphate|TMPP|Tricresilfosfati|Tricresol phosphate|Tricresyl orthophosphate|Tricresyl phosphate|Tricresylfosfaten|Trikresylfosfat|Trikresylphosphate|Tris(methylphenyl)phosphat|Tris(tolyloxy)phosphine oxide|Tritolyl phosphate|Tritolylfosfat|TRITOLYLPHOSPHAT|UN 2574|UNII-512641US16|1259372-53-6|2107376-26-9|25013-17-6|34902-62-0|56499-45-7|56573-10-5|69234-04-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021391 https://doi.org/10.22427/NTP-DATA-DTXSID4021391
ARPathway2016 ARPathway2016_59 Tris(methylphenyl) phosphate 1330-78-5 DTXSID4021391 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0.0171 Unitless Tris(methylphenyl) phosphate 1330-78-5|Tris(methylphenyl) phosphate|Caswell No. 884|Celluflex 179C|Cresyl phosphate|Disflamoll TKP|EINECS 215-548-8|EPA Pesticide Chemical Code 083401|Flexol Plasticizer TCP|fosfato de tris(metilfenilo)|Fyrquel 150|Kronitex|Kronitex R|Kronitex TCP|NCI-C61041|Nissan Unflame TCP|Phosflex 179A|Phosflex TCP|Phosphate de tricresyle|Phosphate de tris(methylphenyle)|Phosphlex 179A|Phosphoric acid tricresyl ester|Phosphoric acid tris(methylphenyl) ester|Phosphoric acid, tris(methylphenyl) ester|PHOSPHORIC ACID, TRIS(METHYLPHENYL)ESTER|Phosphoric acid, tritolyl ester|Reomol TCP|Sansocizer TCP|Sumiguard TBT|Syn-O-Ad 8484|TCP|Thiorthocresyl phosphate|TMPP|Tricresilfosfati|Tricresol phosphate|Tricresyl orthophosphate|Tricresyl phosphate|Tricresylfosfaten|Trikresylfosfat|Trikresylphosphate|Tris(methylphenyl)phosphat|Tris(tolyloxy)phosphine oxide|Tritolyl phosphate|Tritolylfosfat|TRITOLYLPHOSPHAT|UN 2574|UNII-512641US16|1259372-53-6|2107376-26-9|25013-17-6|34902-62-0|56499-45-7|56573-10-5|69234-04-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021391 https://doi.org/10.22427/NTP-DATA-DTXSID4021391
ARPathway2016 ARPathway2016_59 Tris(methylphenyl) phosphate 1330-78-5 DTXSID4021391 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless Tris(methylphenyl) phosphate 1330-78-5|Tris(methylphenyl) phosphate|Caswell No. 884|Celluflex 179C|Cresyl phosphate|Disflamoll TKP|EINECS 215-548-8|EPA Pesticide Chemical Code 083401|Flexol Plasticizer TCP|fosfato de tris(metilfenilo)|Fyrquel 150|Kronitex|Kronitex R|Kronitex TCP|NCI-C61041|Nissan Unflame TCP|Phosflex 179A|Phosflex TCP|Phosphate de tricresyle|Phosphate de tris(methylphenyle)|Phosphlex 179A|Phosphoric acid tricresyl ester|Phosphoric acid tris(methylphenyl) ester|Phosphoric acid, tris(methylphenyl) ester|PHOSPHORIC ACID, TRIS(METHYLPHENYL)ESTER|Phosphoric acid, tritolyl ester|Reomol TCP|Sansocizer TCP|Sumiguard TBT|Syn-O-Ad 8484|TCP|Thiorthocresyl phosphate|TMPP|Tricresilfosfati|Tricresol phosphate|Tricresyl orthophosphate|Tricresyl phosphate|Tricresylfosfaten|Trikresylfosfat|Trikresylphosphate|Tris(methylphenyl)phosphat|Tris(tolyloxy)phosphine oxide|Tritolyl phosphate|Tritolylfosfat|TRITOLYLPHOSPHAT|UN 2574|UNII-512641US16|1259372-53-6|2107376-26-9|25013-17-6|34902-62-0|56499-45-7|56573-10-5|69234-04-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021391 https://doi.org/10.22427/NTP-DATA-DTXSID4021391
ARPathway2016 ARPathway2016_59 Tris(methylphenyl) phosphate 1330-78-5 DTXSID4021391 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Active Unitless Tris(methylphenyl) phosphate 1330-78-5|Tris(methylphenyl) phosphate|Caswell No. 884|Celluflex 179C|Cresyl phosphate|Disflamoll TKP|EINECS 215-548-8|EPA Pesticide Chemical Code 083401|Flexol Plasticizer TCP|fosfato de tris(metilfenilo)|Fyrquel 150|Kronitex|Kronitex R|Kronitex TCP|NCI-C61041|Nissan Unflame TCP|Phosflex 179A|Phosflex TCP|Phosphate de tricresyle|Phosphate de tris(methylphenyle)|Phosphlex 179A|Phosphoric acid tricresyl ester|Phosphoric acid tris(methylphenyl) ester|Phosphoric acid, tris(methylphenyl) ester|PHOSPHORIC ACID, TRIS(METHYLPHENYL)ESTER|Phosphoric acid, tritolyl ester|Reomol TCP|Sansocizer TCP|Sumiguard TBT|Syn-O-Ad 8484|TCP|Thiorthocresyl phosphate|TMPP|Tricresilfosfati|Tricresol phosphate|Tricresyl orthophosphate|Tricresyl phosphate|Tricresylfosfaten|Trikresylfosfat|Trikresylphosphate|Tris(methylphenyl)phosphat|Tris(tolyloxy)phosphine oxide|Tritolyl phosphate|Tritolylfosfat|TRITOLYLPHOSPHAT|UN 2574|UNII-512641US16|1259372-53-6|2107376-26-9|25013-17-6|34902-62-0|56499-45-7|56573-10-5|69234-04-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021391 https://doi.org/10.22427/NTP-DATA-DTXSID4021391
ARPathway2016 ARPathway2016_59 Tris(methylphenyl) phosphate 1330-78-5 DTXSID4021391 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless Tris(methylphenyl) phosphate 1330-78-5|Tris(methylphenyl) phosphate|Caswell No. 884|Celluflex 179C|Cresyl phosphate|Disflamoll TKP|EINECS 215-548-8|EPA Pesticide Chemical Code 083401|Flexol Plasticizer TCP|fosfato de tris(metilfenilo)|Fyrquel 150|Kronitex|Kronitex R|Kronitex TCP|NCI-C61041|Nissan Unflame TCP|Phosflex 179A|Phosflex TCP|Phosphate de tricresyle|Phosphate de tris(methylphenyle)|Phosphlex 179A|Phosphoric acid tricresyl ester|Phosphoric acid tris(methylphenyl) ester|Phosphoric acid, tris(methylphenyl) ester|PHOSPHORIC ACID, TRIS(METHYLPHENYL)ESTER|Phosphoric acid, tritolyl ester|Reomol TCP|Sansocizer TCP|Sumiguard TBT|Syn-O-Ad 8484|TCP|Thiorthocresyl phosphate|TMPP|Tricresilfosfati|Tricresol phosphate|Tricresyl orthophosphate|Tricresyl phosphate|Tricresylfosfaten|Trikresylfosfat|Trikresylphosphate|Tris(methylphenyl)phosphat|Tris(tolyloxy)phosphine oxide|Tritolyl phosphate|Tritolylfosfat|TRITOLYLPHOSPHAT|UN 2574|UNII-512641US16|1259372-53-6|2107376-26-9|25013-17-6|34902-62-0|56499-45-7|56573-10-5|69234-04-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021391 https://doi.org/10.22427/NTP-DATA-DTXSID4021391
ERPathway2016 ERPathway2016_766 Tris(methylphenyl) phosphate 1330-78-5 DTXSID4021391 A13 ER Pathway Model, Agonist Model Score 0 Unitless Tris(methylphenyl) phosphate 1330-78-5|Tris(methylphenyl) phosphate|Caswell No. 884|Celluflex 179C|Cresyl phosphate|Disflamoll TKP|EINECS 215-548-8|EPA Pesticide Chemical Code 083401|Flexol Plasticizer TCP|fosfato de tris(metilfenilo)|Fyrquel 150|Kronitex|Kronitex R|Kronitex TCP|NCI-C61041|Nissan Unflame TCP|Phosflex 179A|Phosflex TCP|Phosphate de tricresyle|Phosphate de tris(methylphenyle)|Phosphlex 179A|Phosphoric acid tricresyl ester|Phosphoric acid tris(methylphenyl) ester|Phosphoric acid, tris(methylphenyl) ester|PHOSPHORIC ACID, TRIS(METHYLPHENYL)ESTER|Phosphoric acid, tritolyl ester|Reomol TCP|Sansocizer TCP|Sumiguard TBT|Syn-O-Ad 8484|TCP|Thiorthocresyl phosphate|TMPP|Tricresilfosfati|Tricresol phosphate|Tricresyl orthophosphate|Tricresyl phosphate|Tricresylfosfaten|Trikresylfosfat|Trikresylphosphate|Tris(methylphenyl)phosphat|Tris(tolyloxy)phosphine oxide|Tritolyl phosphate|Tritolylfosfat|TRITOLYLPHOSPHAT|UN 2574|UNII-512641US16|1259372-53-6|2107376-26-9|25013-17-6|34902-62-0|56499-45-7|56573-10-5|69234-04-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021391 https://doi.org/10.22427/NTP-DATA-DTXSID4021391
ERPathway2016 ERPathway2016_766 Tris(methylphenyl) phosphate 1330-78-5 DTXSID4021391 A13 ER Pathway Model, Antagonist Model Score 0 Unitless Tris(methylphenyl) phosphate 1330-78-5|Tris(methylphenyl) phosphate|Caswell No. 884|Celluflex 179C|Cresyl phosphate|Disflamoll TKP|EINECS 215-548-8|EPA Pesticide Chemical Code 083401|Flexol Plasticizer TCP|fosfato de tris(metilfenilo)|Fyrquel 150|Kronitex|Kronitex R|Kronitex TCP|NCI-C61041|Nissan Unflame TCP|Phosflex 179A|Phosflex TCP|Phosphate de tricresyle|Phosphate de tris(methylphenyle)|Phosphlex 179A|Phosphoric acid tricresyl ester|Phosphoric acid tris(methylphenyl) ester|Phosphoric acid, tris(methylphenyl) ester|PHOSPHORIC ACID, TRIS(METHYLPHENYL)ESTER|Phosphoric acid, tritolyl ester|Reomol TCP|Sansocizer TCP|Sumiguard TBT|Syn-O-Ad 8484|TCP|Thiorthocresyl phosphate|TMPP|Tricresilfosfati|Tricresol phosphate|Tricresyl orthophosphate|Tricresyl phosphate|Tricresylfosfaten|Trikresylfosfat|Trikresylphosphate|Tris(methylphenyl)phosphat|Tris(tolyloxy)phosphine oxide|Tritolyl phosphate|Tritolylfosfat|TRITOLYLPHOSPHAT|UN 2574|UNII-512641US16|1259372-53-6|2107376-26-9|25013-17-6|34902-62-0|56499-45-7|56573-10-5|69234-04-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021391 https://doi.org/10.22427/NTP-DATA-DTXSID4021391
ERPathway2016 ERPathway2016_766 Tris(methylphenyl) phosphate 1330-78-5 DTXSID4021391 A13 ER Pathway Model, Agonist Call Inactive Unitless Tris(methylphenyl) phosphate 1330-78-5|Tris(methylphenyl) phosphate|Caswell No. 884|Celluflex 179C|Cresyl phosphate|Disflamoll TKP|EINECS 215-548-8|EPA Pesticide Chemical Code 083401|Flexol Plasticizer TCP|fosfato de tris(metilfenilo)|Fyrquel 150|Kronitex|Kronitex R|Kronitex TCP|NCI-C61041|Nissan Unflame TCP|Phosflex 179A|Phosflex TCP|Phosphate de tricresyle|Phosphate de tris(methylphenyle)|Phosphlex 179A|Phosphoric acid tricresyl ester|Phosphoric acid tris(methylphenyl) ester|Phosphoric acid, tris(methylphenyl) ester|PHOSPHORIC ACID, TRIS(METHYLPHENYL)ESTER|Phosphoric acid, tritolyl ester|Reomol TCP|Sansocizer TCP|Sumiguard TBT|Syn-O-Ad 8484|TCP|Thiorthocresyl phosphate|TMPP|Tricresilfosfati|Tricresol phosphate|Tricresyl orthophosphate|Tricresyl phosphate|Tricresylfosfaten|Trikresylfosfat|Trikresylphosphate|Tris(methylphenyl)phosphat|Tris(tolyloxy)phosphine oxide|Tritolyl phosphate|Tritolylfosfat|TRITOLYLPHOSPHAT|UN 2574|UNII-512641US16|1259372-53-6|2107376-26-9|25013-17-6|34902-62-0|56499-45-7|56573-10-5|69234-04-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021391 https://doi.org/10.22427/NTP-DATA-DTXSID4021391
ERPathway2016 ERPathway2016_766 Tris(methylphenyl) phosphate 1330-78-5 DTXSID4021391 A13 ER Pathway Model, Antagonist Call Inactive Unitless Tris(methylphenyl) phosphate 1330-78-5|Tris(methylphenyl) phosphate|Caswell No. 884|Celluflex 179C|Cresyl phosphate|Disflamoll TKP|EINECS 215-548-8|EPA Pesticide Chemical Code 083401|Flexol Plasticizer TCP|fosfato de tris(metilfenilo)|Fyrquel 150|Kronitex|Kronitex R|Kronitex TCP|NCI-C61041|Nissan Unflame TCP|Phosflex 179A|Phosflex TCP|Phosphate de tricresyle|Phosphate de tris(methylphenyle)|Phosphlex 179A|Phosphoric acid tricresyl ester|Phosphoric acid tris(methylphenyl) ester|Phosphoric acid, tris(methylphenyl) ester|PHOSPHORIC ACID, TRIS(METHYLPHENYL)ESTER|Phosphoric acid, tritolyl ester|Reomol TCP|Sansocizer TCP|Sumiguard TBT|Syn-O-Ad 8484|TCP|Thiorthocresyl phosphate|TMPP|Tricresilfosfati|Tricresol phosphate|Tricresyl orthophosphate|Tricresyl phosphate|Tricresylfosfaten|Trikresylfosfat|Trikresylphosphate|Tris(methylphenyl)phosphat|Tris(tolyloxy)phosphine oxide|Tritolyl phosphate|Tritolylfosfat|TRITOLYLPHOSPHAT|UN 2574|UNII-512641US16|1259372-53-6|2107376-26-9|25013-17-6|34902-62-0|56499-45-7|56573-10-5|69234-04-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021391 https://doi.org/10.22427/NTP-DATA-DTXSID4021391
ARPathway2016 ARPathway2016_55 Triticonazole 131983-72-7 DTXSID0032655 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist AC50 2.921781647 uM CC1(C)CCC(=CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Triticonazole 131983-72-7|Triticonazole|(RS)-(E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1ylmethyl) cyclopentanol|5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|5-[(4-Chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|603-543-7|Alios|BAS 595 F|Charter|Cyclopentanol, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|EC No.: 603-543-7|Premis|Premis 25 FS|Premis T|Premise|Premise (fungicide)|RPA 400727|Trinity|triticonazole https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032655
ARPathway2016 ARPathway2016_55 Triticonazole 131983-72-7 DTXSID0032655 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist ACC 3.594753352 uM CC1(C)CCC(=CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Triticonazole 131983-72-7|Triticonazole|(RS)-(E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1ylmethyl) cyclopentanol|5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|5-[(4-Chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|603-543-7|Alios|BAS 595 F|Charter|Cyclopentanol, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|EC No.: 603-543-7|Premis|Premis 25 FS|Premis T|Premise|Premise (fungicide)|RPA 400727|Trinity|triticonazole https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032655
ARPathway2016 ARPathway2016_55 Triticonazole 131983-72-7 DTXSID0032655 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Model Score 0.634 Unitless CC1(C)CCC(=CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Triticonazole 131983-72-7|Triticonazole|(RS)-(E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1ylmethyl) cyclopentanol|5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|5-[(4-Chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|603-543-7|Alios|BAS 595 F|Charter|Cyclopentanol, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|EC No.: 603-543-7|Premis|Premis 25 FS|Premis T|Premise|Premise (fungicide)|RPA 400727|Trinity|triticonazole https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032655
ARPathway2016 ARPathway2016_55 Triticonazole 131983-72-7 DTXSID0032655 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC1(C)CCC(=CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Triticonazole 131983-72-7|Triticonazole|(RS)-(E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1ylmethyl) cyclopentanol|5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|5-[(4-Chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|603-543-7|Alios|BAS 595 F|Charter|Cyclopentanol, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|EC No.: 603-543-7|Premis|Premis 25 FS|Premis T|Premise|Premise (fungicide)|RPA 400727|Trinity|triticonazole https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032655
ARPathway2016 ARPathway2016_55 Triticonazole 131983-72-7 DTXSID0032655 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC1(C)CCC(=CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Triticonazole 131983-72-7|Triticonazole|(RS)-(E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1ylmethyl) cyclopentanol|5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|5-[(4-Chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|603-543-7|Alios|BAS 595 F|Charter|Cyclopentanol, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|EC No.: 603-543-7|Premis|Premis 25 FS|Premis T|Premise|Premise (fungicide)|RPA 400727|Trinity|triticonazole https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032655
ARPathway2016 ARPathway2016_55 Triticonazole 131983-72-7 DTXSID0032655 True antagonist shift (No hit/Hit) 4.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC1(C)CCC(=CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Triticonazole 131983-72-7|Triticonazole|(RS)-(E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1ylmethyl) cyclopentanol|5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|5-[(4-Chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|603-543-7|Alios|BAS 595 F|Charter|Cyclopentanol, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|EC No.: 603-543-7|Premis|Premis 25 FS|Premis T|Premise|Premise (fungicide)|RPA 400727|Trinity|triticonazole https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032655
ERPathway2016 ERPathway2016_1272 Triticonazole 131983-72-7 DTXSID0032655 ER Pathway Model, Agonist Model Score 0 Unitless CC1(C)CCC(=CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Triticonazole 131983-72-7|Triticonazole|(RS)-(E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1ylmethyl) cyclopentanol|5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|5-[(4-Chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|603-543-7|Alios|BAS 595 F|Charter|Cyclopentanol, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|EC No.: 603-543-7|Premis|Premis 25 FS|Premis T|Premise|Premise (fungicide)|RPA 400727|Trinity|triticonazole https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032655
ERPathway2016 ERPathway2016_1272 Triticonazole 131983-72-7 DTXSID0032655 ER Pathway Model, Antagonist Model Score 0 Unitless CC1(C)CCC(=CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Triticonazole 131983-72-7|Triticonazole|(RS)-(E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1ylmethyl) cyclopentanol|5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|5-[(4-Chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|603-543-7|Alios|BAS 595 F|Charter|Cyclopentanol, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|EC No.: 603-543-7|Premis|Premis 25 FS|Premis T|Premise|Premise (fungicide)|RPA 400727|Trinity|triticonazole https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032655
ERPathway2016 ERPathway2016_1272 Triticonazole 131983-72-7 DTXSID0032655 ER Pathway Model, Agonist Call Inactive Unitless CC1(C)CCC(=CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Triticonazole 131983-72-7|Triticonazole|(RS)-(E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1ylmethyl) cyclopentanol|5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|5-[(4-Chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|603-543-7|Alios|BAS 595 F|Charter|Cyclopentanol, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|EC No.: 603-543-7|Premis|Premis 25 FS|Premis T|Premise|Premise (fungicide)|RPA 400727|Trinity|triticonazole https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032655
ERPathway2016 ERPathway2016_1272 Triticonazole 131983-72-7 DTXSID0032655 ER Pathway Model, Antagonist Call Inactive Unitless CC1(C)CCC(=CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1 Triticonazole 131983-72-7|Triticonazole|(RS)-(E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1ylmethyl) cyclopentanol|5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|5-[(4-Chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol|603-543-7|Alios|BAS 595 F|Charter|Cyclopentanol, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|EC No.: 603-543-7|Premis|Premis 25 FS|Premis T|Premise|Premise (fungicide)|RPA 400727|Trinity|triticonazole https://comptox.epa.gov/dashboard/chemical/details/DTXSID0032655
ARPathway2016 ARPathway2016_322 Troglitazone 97322-87-7 DTXSID8023719 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist AC50 33.43771355 uM CC1=C(O)C(C)=C2CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)OC2=C1C Troglitazone 97322-87-7|Troglitazone|(+/-)-all-rac-5-(p-((6-Hydroxy-2,5,7,8-tetramethyl-2-chromanyl)methoxy)benzyl)-2,4-thiazolidinedione|2, 4- Thiazolidinedione, 5- [[4- [(3, 4- dihydro- 6- hydroxy- 2, 5, 7, 8- tetramethyl- 2H- 1- benzopyran- 2- yl) methoxy] phenyl] methyl] -|5-(4-(6-Hydroxy-2,5,7,8-tetramethylchroman-2-ylmethoxy)benzyl)thiazolidine-2,4-dione|5-[[4-[(3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]-2,4-thiazolidinedione|BRN 4338399|CI 991|CS 045|Depotox|GR 92132X|Noscal|Rezulin|Rezulin (TN)|Romglizone|troglitazone|UNII-I66ZZ0ZN0E|259223-65-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023719
ARPathway2016 ARPathway2016_322 Troglitazone 97322-87-7 DTXSID8023719 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist ACC 32.92065717 uM CC1=C(O)C(C)=C2CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)OC2=C1C Troglitazone 97322-87-7|Troglitazone|(+/-)-all-rac-5-(p-((6-Hydroxy-2,5,7,8-tetramethyl-2-chromanyl)methoxy)benzyl)-2,4-thiazolidinedione|2, 4- Thiazolidinedione, 5- [[4- [(3, 4- dihydro- 6- hydroxy- 2, 5, 7, 8- tetramethyl- 2H- 1- benzopyran- 2- yl) methoxy] phenyl] methyl] -|5-(4-(6-Hydroxy-2,5,7,8-tetramethylchroman-2-ylmethoxy)benzyl)thiazolidine-2,4-dione|5-[[4-[(3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]-2,4-thiazolidinedione|BRN 4338399|CI 991|CS 045|Depotox|GR 92132X|Noscal|Rezulin|Rezulin (TN)|Romglizone|troglitazone|UNII-I66ZZ0ZN0E|259223-65-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023719
ARPathway2016 ARPathway2016_322 Troglitazone 97322-87-7 DTXSID8023719 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Antagonist Model Score 0.0361 Unitless CC1=C(O)C(C)=C2CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)OC2=C1C Troglitazone 97322-87-7|Troglitazone|(+/-)-all-rac-5-(p-((6-Hydroxy-2,5,7,8-tetramethyl-2-chromanyl)methoxy)benzyl)-2,4-thiazolidinedione|2, 4- Thiazolidinedione, 5- [[4- [(3, 4- dihydro- 6- hydroxy- 2, 5, 7, 8- tetramethyl- 2H- 1- benzopyran- 2- yl) methoxy] phenyl] methyl] -|5-(4-(6-Hydroxy-2,5,7,8-tetramethylchroman-2-ylmethoxy)benzyl)thiazolidine-2,4-dione|5-[[4-[(3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]-2,4-thiazolidinedione|BRN 4338399|CI 991|CS 045|Depotox|GR 92132X|Noscal|Rezulin|Rezulin (TN)|Romglizone|troglitazone|UNII-I66ZZ0ZN0E|259223-65-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023719
ARPathway2016 ARPathway2016_322 Troglitazone 97322-87-7 DTXSID8023719 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(O)C(C)=C2CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)OC2=C1C Troglitazone 97322-87-7|Troglitazone|(+/-)-all-rac-5-(p-((6-Hydroxy-2,5,7,8-tetramethyl-2-chromanyl)methoxy)benzyl)-2,4-thiazolidinedione|2, 4- Thiazolidinedione, 5- [[4- [(3, 4- dihydro- 6- hydroxy- 2, 5, 7, 8- tetramethyl- 2H- 1- benzopyran- 2- yl) methoxy] phenyl] methyl] -|5-(4-(6-Hydroxy-2,5,7,8-tetramethylchroman-2-ylmethoxy)benzyl)thiazolidine-2,4-dione|5-[[4-[(3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]-2,4-thiazolidinedione|BRN 4338399|CI 991|CS 045|Depotox|GR 92132X|Noscal|Rezulin|Rezulin (TN)|Romglizone|troglitazone|UNII-I66ZZ0ZN0E|259223-65-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023719
ARPathway2016 ARPathway2016_322 Troglitazone 97322-87-7 DTXSID8023719 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Agonist Call Active Unitless CC1=C(O)C(C)=C2CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)OC2=C1C Troglitazone 97322-87-7|Troglitazone|(+/-)-all-rac-5-(p-((6-Hydroxy-2,5,7,8-tetramethyl-2-chromanyl)methoxy)benzyl)-2,4-thiazolidinedione|2, 4- Thiazolidinedione, 5- [[4- [(3, 4- dihydro- 6- hydroxy- 2, 5, 7, 8- tetramethyl- 2H- 1- benzopyran- 2- yl) methoxy] phenyl] methyl] -|5-(4-(6-Hydroxy-2,5,7,8-tetramethylchroman-2-ylmethoxy)benzyl)thiazolidine-2,4-dione|5-[[4-[(3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]-2,4-thiazolidinedione|BRN 4338399|CI 991|CS 045|Depotox|GR 92132X|Noscal|Rezulin|Rezulin (TN)|Romglizone|troglitazone|UNII-I66ZZ0ZN0E|259223-65-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023719
ARPathway2016 ARPathway2016_322 Troglitazone 97322-87-7 DTXSID8023719 FLAG: Antagonist shift, but CI overlap 2.0 R7 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(O)C(C)=C2CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)OC2=C1C Troglitazone 97322-87-7|Troglitazone|(+/-)-all-rac-5-(p-((6-Hydroxy-2,5,7,8-tetramethyl-2-chromanyl)methoxy)benzyl)-2,4-thiazolidinedione|2, 4- Thiazolidinedione, 5- [[4- [(3, 4- dihydro- 6- hydroxy- 2, 5, 7, 8- tetramethyl- 2H- 1- benzopyran- 2- yl) methoxy] phenyl] methyl] -|5-(4-(6-Hydroxy-2,5,7,8-tetramethylchroman-2-ylmethoxy)benzyl)thiazolidine-2,4-dione|5-[[4-[(3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]-2,4-thiazolidinedione|BRN 4338399|CI 991|CS 045|Depotox|GR 92132X|Noscal|Rezulin|Rezulin (TN)|Romglizone|troglitazone|UNII-I66ZZ0ZN0E|259223-65-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023719
ERPathway2016 ERPathway2016_529 Troglitazone 97322-87-7 DTXSID8023719 A13 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(O)C(C)=C2CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)OC2=C1C Troglitazone 97322-87-7|Troglitazone|(+/-)-all-rac-5-(p-((6-Hydroxy-2,5,7,8-tetramethyl-2-chromanyl)methoxy)benzyl)-2,4-thiazolidinedione|2, 4- Thiazolidinedione, 5- [[4- [(3, 4- dihydro- 6- hydroxy- 2, 5, 7, 8- tetramethyl- 2H- 1- benzopyran- 2- yl) methoxy] phenyl] methyl] -|5-(4-(6-Hydroxy-2,5,7,8-tetramethylchroman-2-ylmethoxy)benzyl)thiazolidine-2,4-dione|5-[[4-[(3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]-2,4-thiazolidinedione|BRN 4338399|CI 991|CS 045|Depotox|GR 92132X|Noscal|Rezulin|Rezulin (TN)|Romglizone|troglitazone|UNII-I66ZZ0ZN0E|259223-65-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023719
ERPathway2016 ERPathway2016_529 Troglitazone 97322-87-7 DTXSID8023719 A13 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(O)C(C)=C2CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)OC2=C1C Troglitazone 97322-87-7|Troglitazone|(+/-)-all-rac-5-(p-((6-Hydroxy-2,5,7,8-tetramethyl-2-chromanyl)methoxy)benzyl)-2,4-thiazolidinedione|2, 4- Thiazolidinedione, 5- [[4- [(3, 4- dihydro- 6- hydroxy- 2, 5, 7, 8- tetramethyl- 2H- 1- benzopyran- 2- yl) methoxy] phenyl] methyl] -|5-(4-(6-Hydroxy-2,5,7,8-tetramethylchroman-2-ylmethoxy)benzyl)thiazolidine-2,4-dione|5-[[4-[(3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]-2,4-thiazolidinedione|BRN 4338399|CI 991|CS 045|Depotox|GR 92132X|Noscal|Rezulin|Rezulin (TN)|Romglizone|troglitazone|UNII-I66ZZ0ZN0E|259223-65-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023719
ERPathway2016 ERPathway2016_529 Troglitazone 97322-87-7 DTXSID8023719 A13 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(O)C(C)=C2CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)OC2=C1C Troglitazone 97322-87-7|Troglitazone|(+/-)-all-rac-5-(p-((6-Hydroxy-2,5,7,8-tetramethyl-2-chromanyl)methoxy)benzyl)-2,4-thiazolidinedione|2, 4- Thiazolidinedione, 5- [[4- [(3, 4- dihydro- 6- hydroxy- 2, 5, 7, 8- tetramethyl- 2H- 1- benzopyran- 2- yl) methoxy] phenyl] methyl] -|5-(4-(6-Hydroxy-2,5,7,8-tetramethylchroman-2-ylmethoxy)benzyl)thiazolidine-2,4-dione|5-[[4-[(3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]-2,4-thiazolidinedione|BRN 4338399|CI 991|CS 045|Depotox|GR 92132X|Noscal|Rezulin|Rezulin (TN)|Romglizone|troglitazone|UNII-I66ZZ0ZN0E|259223-65-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023719
ERPathway2016 ERPathway2016_529 Troglitazone 97322-87-7 DTXSID8023719 A13 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(O)C(C)=C2CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)OC2=C1C Troglitazone 97322-87-7|Troglitazone|(+/-)-all-rac-5-(p-((6-Hydroxy-2,5,7,8-tetramethyl-2-chromanyl)methoxy)benzyl)-2,4-thiazolidinedione|2, 4- Thiazolidinedione, 5- [[4- [(3, 4- dihydro- 6- hydroxy- 2, 5, 7, 8- tetramethyl- 2H- 1- benzopyran- 2- yl) methoxy] phenyl] methyl] -|5-(4-(6-Hydroxy-2,5,7,8-tetramethylchroman-2-ylmethoxy)benzyl)thiazolidine-2,4-dione|5-[[4-[(3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]-2,4-thiazolidinedione|BRN 4338399|CI 991|CS 045|Depotox|GR 92132X|Noscal|Rezulin|Rezulin (TN)|Romglizone|troglitazone|UNII-I66ZZ0ZN0E|259223-65-9 https://comptox.epa.gov/dashboard/chemical/details/DTXSID8023719
ARPathway2016 ARPathway2016_1562 Tromethamine 77-86-1 DTXSID2023723 1.0 R5 AR Pathway Model, Antagonist Model Score 0 Unitless NC(CO)(CO)CO Tromethamine 77-86-1|Tromethamine|[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]amine|1,1,1-tris(hydroxymethyl)methanamine|1,3-Propanediol, 2-amino-2-(hydroxymethyl)-|2-(Hydroxymethyl)-2-amino-1,3-propanediol|2-Amino-1,3-dihydroxy-2-(hydroxymethyl)propane|2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANDIOL|2-Amino-2-(hydroxymethyl)-1,3-propanediol|2-Amino-2-(hydroxymethyl)propane-1,3-diol|2-Amino-2-hydroxymethyl-1, 3-propanediol|2-amino-2-hydroxymethyl-1,3-propanediol|2-Amino-2-hydroxymethylpropan-1,3-diol|2-Amino-2-methylol-1,3-propanediol|Addex-Tham|Aminotri(hydroxymethyl)methane|Aminotrimethylolmethane|Aminotris(hydroxymethyl)methane|Apiroserum Tham|Caswell No. 036|EINECS 201-064-4|EPA Pesticide Chemical Code 083901|Methanamine, 1,1,1-tris(hydroxymethyl)-|Methylamine, 1,1,1-tris(hydroxymethyl)-|NSC 103026|NSC 6365|NSC 65434|Pehanorm|PROPANE-1,3-DIOL, 2-AMINO-2-(HYDROXYMETHYL)-|Talatrol|THAM|Tri Amino|Tri(hydroxymethyl)methylamine|Trigmo base|TRIHYDROXYMETHYLAMINOMETHANE|Triladyl|Trimethylolaminomethane|TRIS|Tris Amino|Tris Amino Crystal|Tris base|TRIS BUFFE|108195-86-4|1158650-64-6|119320-15-9|25149-07-9|68755-45-3|83147-39-1|857365-23-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023723
ARPathway2016 ARPathway2016_1562 Tromethamine 77-86-1 DTXSID2023723 1.0 R5 AR Pathway Model, Agonist Model Score 0 Unitless NC(CO)(CO)CO Tromethamine 77-86-1|Tromethamine|[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]amine|1,1,1-tris(hydroxymethyl)methanamine|1,3-Propanediol, 2-amino-2-(hydroxymethyl)-|2-(Hydroxymethyl)-2-amino-1,3-propanediol|2-Amino-1,3-dihydroxy-2-(hydroxymethyl)propane|2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANDIOL|2-Amino-2-(hydroxymethyl)-1,3-propanediol|2-Amino-2-(hydroxymethyl)propane-1,3-diol|2-Amino-2-hydroxymethyl-1, 3-propanediol|2-amino-2-hydroxymethyl-1,3-propanediol|2-Amino-2-hydroxymethylpropan-1,3-diol|2-Amino-2-methylol-1,3-propanediol|Addex-Tham|Aminotri(hydroxymethyl)methane|Aminotrimethylolmethane|Aminotris(hydroxymethyl)methane|Apiroserum Tham|Caswell No. 036|EINECS 201-064-4|EPA Pesticide Chemical Code 083901|Methanamine, 1,1,1-tris(hydroxymethyl)-|Methylamine, 1,1,1-tris(hydroxymethyl)-|NSC 103026|NSC 6365|NSC 65434|Pehanorm|PROPANE-1,3-DIOL, 2-AMINO-2-(HYDROXYMETHYL)-|Talatrol|THAM|Tri Amino|Tri(hydroxymethyl)methylamine|Trigmo base|TRIHYDROXYMETHYLAMINOMETHANE|Triladyl|Trimethylolaminomethane|TRIS|Tris Amino|Tris Amino Crystal|Tris base|TRIS BUFFE|108195-86-4|1158650-64-6|119320-15-9|25149-07-9|68755-45-3|83147-39-1|857365-23-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023723
ARPathway2016 ARPathway2016_1562 Tromethamine 77-86-1 DTXSID2023723 1.0 R5 AR Pathway Model, Antagonist Call Inactive Unitless NC(CO)(CO)CO Tromethamine 77-86-1|Tromethamine|[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]amine|1,1,1-tris(hydroxymethyl)methanamine|1,3-Propanediol, 2-amino-2-(hydroxymethyl)-|2-(Hydroxymethyl)-2-amino-1,3-propanediol|2-Amino-1,3-dihydroxy-2-(hydroxymethyl)propane|2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANDIOL|2-Amino-2-(hydroxymethyl)-1,3-propanediol|2-Amino-2-(hydroxymethyl)propane-1,3-diol|2-Amino-2-hydroxymethyl-1, 3-propanediol|2-amino-2-hydroxymethyl-1,3-propanediol|2-Amino-2-hydroxymethylpropan-1,3-diol|2-Amino-2-methylol-1,3-propanediol|Addex-Tham|Aminotri(hydroxymethyl)methane|Aminotrimethylolmethane|Aminotris(hydroxymethyl)methane|Apiroserum Tham|Caswell No. 036|EINECS 201-064-4|EPA Pesticide Chemical Code 083901|Methanamine, 1,1,1-tris(hydroxymethyl)-|Methylamine, 1,1,1-tris(hydroxymethyl)-|NSC 103026|NSC 6365|NSC 65434|Pehanorm|PROPANE-1,3-DIOL, 2-AMINO-2-(HYDROXYMETHYL)-|Talatrol|THAM|Tri Amino|Tri(hydroxymethyl)methylamine|Trigmo base|TRIHYDROXYMETHYLAMINOMETHANE|Triladyl|Trimethylolaminomethane|TRIS|Tris Amino|Tris Amino Crystal|Tris base|TRIS BUFFE|108195-86-4|1158650-64-6|119320-15-9|25149-07-9|68755-45-3|83147-39-1|857365-23-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023723
ARPathway2016 ARPathway2016_1562 Tromethamine 77-86-1 DTXSID2023723 1.0 R5 AR Pathway Model, Agonist Call Inactive Unitless NC(CO)(CO)CO Tromethamine 77-86-1|Tromethamine|[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]amine|1,1,1-tris(hydroxymethyl)methanamine|1,3-Propanediol, 2-amino-2-(hydroxymethyl)-|2-(Hydroxymethyl)-2-amino-1,3-propanediol|2-Amino-1,3-dihydroxy-2-(hydroxymethyl)propane|2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANDIOL|2-Amino-2-(hydroxymethyl)-1,3-propanediol|2-Amino-2-(hydroxymethyl)propane-1,3-diol|2-Amino-2-hydroxymethyl-1, 3-propanediol|2-amino-2-hydroxymethyl-1,3-propanediol|2-Amino-2-hydroxymethylpropan-1,3-diol|2-Amino-2-methylol-1,3-propanediol|Addex-Tham|Aminotri(hydroxymethyl)methane|Aminotrimethylolmethane|Aminotris(hydroxymethyl)methane|Apiroserum Tham|Caswell No. 036|EINECS 201-064-4|EPA Pesticide Chemical Code 083901|Methanamine, 1,1,1-tris(hydroxymethyl)-|Methylamine, 1,1,1-tris(hydroxymethyl)-|NSC 103026|NSC 6365|NSC 65434|Pehanorm|PROPANE-1,3-DIOL, 2-AMINO-2-(HYDROXYMETHYL)-|Talatrol|THAM|Tri Amino|Tri(hydroxymethyl)methylamine|Trigmo base|TRIHYDROXYMETHYLAMINOMETHANE|Triladyl|Trimethylolaminomethane|TRIS|Tris Amino|Tris Amino Crystal|Tris base|TRIS BUFFE|108195-86-4|1158650-64-6|119320-15-9|25149-07-9|68755-45-3|83147-39-1|857365-23-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023723
ERPathway2016 ERPathway2016_1658 Tromethamine 77-86-1 DTXSID2023723 ER Pathway Model, Agonist Model Score 0 Unitless NC(CO)(CO)CO Tromethamine 77-86-1|Tromethamine|[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]amine|1,1,1-tris(hydroxymethyl)methanamine|1,3-Propanediol, 2-amino-2-(hydroxymethyl)-|2-(Hydroxymethyl)-2-amino-1,3-propanediol|2-Amino-1,3-dihydroxy-2-(hydroxymethyl)propane|2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANDIOL|2-Amino-2-(hydroxymethyl)-1,3-propanediol|2-Amino-2-(hydroxymethyl)propane-1,3-diol|2-Amino-2-hydroxymethyl-1, 3-propanediol|2-amino-2-hydroxymethyl-1,3-propanediol|2-Amino-2-hydroxymethylpropan-1,3-diol|2-Amino-2-methylol-1,3-propanediol|Addex-Tham|Aminotri(hydroxymethyl)methane|Aminotrimethylolmethane|Aminotris(hydroxymethyl)methane|Apiroserum Tham|Caswell No. 036|EINECS 201-064-4|EPA Pesticide Chemical Code 083901|Methanamine, 1,1,1-tris(hydroxymethyl)-|Methylamine, 1,1,1-tris(hydroxymethyl)-|NSC 103026|NSC 6365|NSC 65434|Pehanorm|PROPANE-1,3-DIOL, 2-AMINO-2-(HYDROXYMETHYL)-|Talatrol|THAM|Tri Amino|Tri(hydroxymethyl)methylamine|Trigmo base|TRIHYDROXYMETHYLAMINOMETHANE|Triladyl|Trimethylolaminomethane|TRIS|Tris Amino|Tris Amino Crystal|Tris base|TRIS BUFFE|108195-86-4|1158650-64-6|119320-15-9|25149-07-9|68755-45-3|83147-39-1|857365-23-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023723
ERPathway2016 ERPathway2016_1658 Tromethamine 77-86-1 DTXSID2023723 ER Pathway Model, Antagonist Model Score 0 Unitless NC(CO)(CO)CO Tromethamine 77-86-1|Tromethamine|[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]amine|1,1,1-tris(hydroxymethyl)methanamine|1,3-Propanediol, 2-amino-2-(hydroxymethyl)-|2-(Hydroxymethyl)-2-amino-1,3-propanediol|2-Amino-1,3-dihydroxy-2-(hydroxymethyl)propane|2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANDIOL|2-Amino-2-(hydroxymethyl)-1,3-propanediol|2-Amino-2-(hydroxymethyl)propane-1,3-diol|2-Amino-2-hydroxymethyl-1, 3-propanediol|2-amino-2-hydroxymethyl-1,3-propanediol|2-Amino-2-hydroxymethylpropan-1,3-diol|2-Amino-2-methylol-1,3-propanediol|Addex-Tham|Aminotri(hydroxymethyl)methane|Aminotrimethylolmethane|Aminotris(hydroxymethyl)methane|Apiroserum Tham|Caswell No. 036|EINECS 201-064-4|EPA Pesticide Chemical Code 083901|Methanamine, 1,1,1-tris(hydroxymethyl)-|Methylamine, 1,1,1-tris(hydroxymethyl)-|NSC 103026|NSC 6365|NSC 65434|Pehanorm|PROPANE-1,3-DIOL, 2-AMINO-2-(HYDROXYMETHYL)-|Talatrol|THAM|Tri Amino|Tri(hydroxymethyl)methylamine|Trigmo base|TRIHYDROXYMETHYLAMINOMETHANE|Triladyl|Trimethylolaminomethane|TRIS|Tris Amino|Tris Amino Crystal|Tris base|TRIS BUFFE|108195-86-4|1158650-64-6|119320-15-9|25149-07-9|68755-45-3|83147-39-1|857365-23-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023723
ERPathway2016 ERPathway2016_1658 Tromethamine 77-86-1 DTXSID2023723 ER Pathway Model, Agonist Call Inactive Unitless NC(CO)(CO)CO Tromethamine 77-86-1|Tromethamine|[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]amine|1,1,1-tris(hydroxymethyl)methanamine|1,3-Propanediol, 2-amino-2-(hydroxymethyl)-|2-(Hydroxymethyl)-2-amino-1,3-propanediol|2-Amino-1,3-dihydroxy-2-(hydroxymethyl)propane|2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANDIOL|2-Amino-2-(hydroxymethyl)-1,3-propanediol|2-Amino-2-(hydroxymethyl)propane-1,3-diol|2-Amino-2-hydroxymethyl-1, 3-propanediol|2-amino-2-hydroxymethyl-1,3-propanediol|2-Amino-2-hydroxymethylpropan-1,3-diol|2-Amino-2-methylol-1,3-propanediol|Addex-Tham|Aminotri(hydroxymethyl)methane|Aminotrimethylolmethane|Aminotris(hydroxymethyl)methane|Apiroserum Tham|Caswell No. 036|EINECS 201-064-4|EPA Pesticide Chemical Code 083901|Methanamine, 1,1,1-tris(hydroxymethyl)-|Methylamine, 1,1,1-tris(hydroxymethyl)-|NSC 103026|NSC 6365|NSC 65434|Pehanorm|PROPANE-1,3-DIOL, 2-AMINO-2-(HYDROXYMETHYL)-|Talatrol|THAM|Tri Amino|Tri(hydroxymethyl)methylamine|Trigmo base|TRIHYDROXYMETHYLAMINOMETHANE|Triladyl|Trimethylolaminomethane|TRIS|Tris Amino|Tris Amino Crystal|Tris base|TRIS BUFFE|108195-86-4|1158650-64-6|119320-15-9|25149-07-9|68755-45-3|83147-39-1|857365-23-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023723
ERPathway2016 ERPathway2016_1658 Tromethamine 77-86-1 DTXSID2023723 ER Pathway Model, Antagonist Call Inactive Unitless NC(CO)(CO)CO Tromethamine 77-86-1|Tromethamine|[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]amine|1,1,1-tris(hydroxymethyl)methanamine|1,3-Propanediol, 2-amino-2-(hydroxymethyl)-|2-(Hydroxymethyl)-2-amino-1,3-propanediol|2-Amino-1,3-dihydroxy-2-(hydroxymethyl)propane|2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANDIOL|2-Amino-2-(hydroxymethyl)-1,3-propanediol|2-Amino-2-(hydroxymethyl)propane-1,3-diol|2-Amino-2-hydroxymethyl-1, 3-propanediol|2-amino-2-hydroxymethyl-1,3-propanediol|2-Amino-2-hydroxymethylpropan-1,3-diol|2-Amino-2-methylol-1,3-propanediol|Addex-Tham|Aminotri(hydroxymethyl)methane|Aminotrimethylolmethane|Aminotris(hydroxymethyl)methane|Apiroserum Tham|Caswell No. 036|EINECS 201-064-4|EPA Pesticide Chemical Code 083901|Methanamine, 1,1,1-tris(hydroxymethyl)-|Methylamine, 1,1,1-tris(hydroxymethyl)-|NSC 103026|NSC 6365|NSC 65434|Pehanorm|PROPANE-1,3-DIOL, 2-AMINO-2-(HYDROXYMETHYL)-|Talatrol|THAM|Tri Amino|Tri(hydroxymethyl)methylamine|Trigmo base|TRIHYDROXYMETHYLAMINOMETHANE|Triladyl|Trimethylolaminomethane|TRIS|Tris Amino|Tris Amino Crystal|Tris base|TRIS BUFFE|108195-86-4|1158650-64-6|119320-15-9|25149-07-9|68755-45-3|83147-39-1|857365-23-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2023723
ARPathway2016 ARPathway2016_914 UK-156819 162706-14-1 DTXSID2047309 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CC1=C(C2=C(C=CC=C2)N1CCCCC(O)=O)C1=CN=CC=C1 UK-156819 162706-14-1|UK-156819 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047309
ARPathway2016 ARPathway2016_914 UK-156819 162706-14-1 DTXSID2047309 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CC1=C(C2=C(C=CC=C2)N1CCCCC(O)=O)C1=CN=CC=C1 UK-156819 162706-14-1|UK-156819 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047309
ARPathway2016 ARPathway2016_914 UK-156819 162706-14-1 DTXSID2047309 0.0 AR Pathway Model, Agonist Call Inactive Unitless CC1=C(C2=C(C=CC=C2)N1CCCCC(O)=O)C1=CN=CC=C1 UK-156819 162706-14-1|UK-156819 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047309
ARPathway2016 ARPathway2016_914 UK-156819 162706-14-1 DTXSID2047309 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CC1=C(C2=C(C=CC=C2)N1CCCCC(O)=O)C1=CN=CC=C1 UK-156819 162706-14-1|UK-156819 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047309
ERPathway2016 ERPathway2016_914 UK-156819 162706-14-1 DTXSID2047309 ER Pathway Model, Agonist Model Score 0 Unitless CC1=C(C2=C(C=CC=C2)N1CCCCC(O)=O)C1=CN=CC=C1 UK-156819 162706-14-1|UK-156819 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047309
ERPathway2016 ERPathway2016_914 UK-156819 162706-14-1 DTXSID2047309 ER Pathway Model, Antagonist Model Score 0 Unitless CC1=C(C2=C(C=CC=C2)N1CCCCC(O)=O)C1=CN=CC=C1 UK-156819 162706-14-1|UK-156819 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047309
ERPathway2016 ERPathway2016_914 UK-156819 162706-14-1 DTXSID2047309 ER Pathway Model, Agonist Call Inactive Unitless CC1=C(C2=C(C=CC=C2)N1CCCCC(O)=O)C1=CN=CC=C1 UK-156819 162706-14-1|UK-156819 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047309
ERPathway2016 ERPathway2016_914 UK-156819 162706-14-1 DTXSID2047309 ER Pathway Model, Antagonist Call Inactive Unitless CC1=C(C2=C(C=CC=C2)N1CCCCC(O)=O)C1=CN=CC=C1 UK-156819 162706-14-1|UK-156819 https://comptox.epa.gov/dashboard/chemical/details/DTXSID2047309
ARPathway2016 ARPathway2016_969 UK-333747 197077-55-7 DTXSID1047287 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COCC1=NN=C(N1C1=C(Cl)C(Cl)=CC2=C1NC(=O)C(=O)N2)C1=C[N+]([O-])=CC=C1 UK-333747 197077-55-7|UK-333747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047287
ARPathway2016 ARPathway2016_969 UK-333747 197077-55-7 DTXSID1047287 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COCC1=NN=C(N1C1=C(Cl)C(Cl)=CC2=C1NC(=O)C(=O)N2)C1=C[N+]([O-])=CC=C1 UK-333747 197077-55-7|UK-333747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047287
ARPathway2016 ARPathway2016_969 UK-333747 197077-55-7 DTXSID1047287 0.0 AR Pathway Model, Agonist Call Inactive Unitless COCC1=NN=C(N1C1=C(Cl)C(Cl)=CC2=C1NC(=O)C(=O)N2)C1=C[N+]([O-])=CC=C1 UK-333747 197077-55-7|UK-333747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047287
ARPathway2016 ARPathway2016_969 UK-333747 197077-55-7 DTXSID1047287 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COCC1=NN=C(N1C1=C(Cl)C(Cl)=CC2=C1NC(=O)C(=O)N2)C1=C[N+]([O-])=CC=C1 UK-333747 197077-55-7|UK-333747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047287
ERPathway2016 ERPathway2016_797 UK-333747 197077-55-7 DTXSID1047287 ER Pathway Model, Agonist Model Score 0 Unitless COCC1=NN=C(N1C1=C(Cl)C(Cl)=CC2=C1NC(=O)C(=O)N2)C1=C[N+]([O-])=CC=C1 UK-333747 197077-55-7|UK-333747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047287
ERPathway2016 ERPathway2016_797 UK-333747 197077-55-7 DTXSID1047287 ER Pathway Model, Antagonist Model Score 0 Unitless COCC1=NN=C(N1C1=C(Cl)C(Cl)=CC2=C1NC(=O)C(=O)N2)C1=C[N+]([O-])=CC=C1 UK-333747 197077-55-7|UK-333747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047287
ERPathway2016 ERPathway2016_797 UK-333747 197077-55-7 DTXSID1047287 ER Pathway Model, Agonist Call Inactive Unitless COCC1=NN=C(N1C1=C(Cl)C(Cl)=CC2=C1NC(=O)C(=O)N2)C1=C[N+]([O-])=CC=C1 UK-333747 197077-55-7|UK-333747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047287
ERPathway2016 ERPathway2016_797 UK-333747 197077-55-7 DTXSID1047287 ER Pathway Model, Antagonist Call Inactive Unitless COCC1=NN=C(N1C1=C(Cl)C(Cl)=CC2=C1NC(=O)C(=O)N2)C1=C[N+]([O-])=CC=C1 UK-333747 197077-55-7|UK-333747 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047287
ARPathway2016 ARPathway2016_108 UK-337312 203942-49-8 DTXSID6047288 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist AC50 27.25157516 uM CS([O-])(=O)=O.CN(C[C@@H](CC[N+]12CCC(CC1)(CC2)C1CCCCC1)C1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F UK-337312 203942-49-8|UK-337312 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047288
ARPathway2016 ARPathway2016_108 UK-337312 203942-49-8 DTXSID6047288 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist ACC 23.7475358 uM CS([O-])(=O)=O.CN(C[C@@H](CC[N+]12CCC(CC1)(CC2)C1CCCCC1)C1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F UK-337312 203942-49-8|UK-337312 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047288
ARPathway2016 ARPathway2016_108 UK-337312 203942-49-8 DTXSID6047288 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Antagonist Model Score 0.0695 Unitless CS([O-])(=O)=O.CN(C[C@@H](CC[N+]12CCC(CC1)(CC2)C1CCCCC1)C1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F UK-337312 203942-49-8|UK-337312 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047288
ARPathway2016 ARPathway2016_108 UK-337312 203942-49-8 DTXSID6047288 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist Model Score 0.00213 Unitless CS([O-])(=O)=O.CN(C[C@@H](CC[N+]12CCC(CC1)(CC2)C1CCCCC1)C1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F UK-337312 203942-49-8|UK-337312 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047288
ARPathway2016 ARPathway2016_108 UK-337312 203942-49-8 DTXSID6047288 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CS([O-])(=O)=O.CN(C[C@@H](CC[N+]12CCC(CC1)(CC2)C1CCCCC1)C1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F UK-337312 203942-49-8|UK-337312 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047288
ARPathway2016 ARPathway2016_108 UK-337312 203942-49-8 DTXSID6047288 FLAG: Wrong direction shift (Hit/Hit) 0.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CS([O-])(=O)=O.CN(C[C@@H](CC[N+]12CCC(CC1)(CC2)C1CCCCC1)C1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F UK-337312 203942-49-8|UK-337312 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047288
ERPathway2016 ERPathway2016_52 UK-337312 203942-49-8 DTXSID6047288 ER Pathway Model, Agonist AC50 44.7890138917778 uM CS([O-])(=O)=O.CN(C[C@@H](CC[N+]12CCC(CC1)(CC2)C1CCCCC1)C1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F UK-337312 203942-49-8|UK-337312 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047288
ERPathway2016 ERPathway2016_52 UK-337312 203942-49-8 DTXSID6047288 ER Pathway Model, Agonist ACC 27.4316838233587 uM CS([O-])(=O)=O.CN(C[C@@H](CC[N+]12CCC(CC1)(CC2)C1CCCCC1)C1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F UK-337312 203942-49-8|UK-337312 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047288
ERPathway2016 ERPathway2016_52 UK-337312 203942-49-8 DTXSID6047288 ER Pathway Model, Agonist Model Score 0.0021 Unitless CS([O-])(=O)=O.CN(C[C@@H](CC[N+]12CCC(CC1)(CC2)C1CCCCC1)C1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F UK-337312 203942-49-8|UK-337312 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047288
ERPathway2016 ERPathway2016_52 UK-337312 203942-49-8 DTXSID6047288 ER Pathway Model, Antagonist Model Score 0.0124 Unitless CS([O-])(=O)=O.CN(C[C@@H](CC[N+]12CCC(CC1)(CC2)C1CCCCC1)C1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F UK-337312 203942-49-8|UK-337312 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047288
ERPathway2016 ERPathway2016_52 UK-337312 203942-49-8 DTXSID6047288 ER Pathway Model, Agonist Call Active Unitless CS([O-])(=O)=O.CN(C[C@@H](CC[N+]12CCC(CC1)(CC2)C1CCCCC1)C1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F UK-337312 203942-49-8|UK-337312 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047288
ERPathway2016 ERPathway2016_52 UK-337312 203942-49-8 DTXSID6047288 ER Pathway Model, Antagonist Call Inactive Unitless CS([O-])(=O)=O.CN(C[C@@H](CC[N+]12CCC(CC1)(CC2)C1CCCCC1)C1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F UK-337312 203942-49-8|UK-337312 https://comptox.epa.gov/dashboard/chemical/details/DTXSID6047288
ARPathway2016 ARPathway2016_998 UK-343664 215297-27-1 DTXSID1047289 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCOC1=C(C=C(C=C1)S(=O)(=O)N1CCN(CC)CC1)C1=NC2=C(CC)N(CC3=CC=CC=N3)N=C2C(=O)N1 UK-343664 215297-27-1|UK-343664 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047289
ARPathway2016 ARPathway2016_998 UK-343664 215297-27-1 DTXSID1047289 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCOC1=C(C=C(C=C1)S(=O)(=O)N1CCN(CC)CC1)C1=NC2=C(CC)N(CC3=CC=CC=N3)N=C2C(=O)N1 UK-343664 215297-27-1|UK-343664 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047289
ARPathway2016 ARPathway2016_998 UK-343664 215297-27-1 DTXSID1047289 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCOC1=C(C=C(C=C1)S(=O)(=O)N1CCN(CC)CC1)C1=NC2=C(CC)N(CC3=CC=CC=N3)N=C2C(=O)N1 UK-343664 215297-27-1|UK-343664 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047289
ARPathway2016 ARPathway2016_998 UK-343664 215297-27-1 DTXSID1047289 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCOC1=C(C=C(C=C1)S(=O)(=O)N1CCN(CC)CC1)C1=NC2=C(CC)N(CC3=CC=CC=N3)N=C2C(=O)N1 UK-343664 215297-27-1|UK-343664 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047289
ERPathway2016 ERPathway2016_1377 UK-343664 215297-27-1 DTXSID1047289 ER Pathway Model, Agonist Model Score 0 Unitless CCCOC1=C(C=C(C=C1)S(=O)(=O)N1CCN(CC)CC1)C1=NC2=C(CC)N(CC3=CC=CC=N3)N=C2C(=O)N1 UK-343664 215297-27-1|UK-343664 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047289
ERPathway2016 ERPathway2016_1377 UK-343664 215297-27-1 DTXSID1047289 ER Pathway Model, Antagonist Model Score 0 Unitless CCCOC1=C(C=C(C=C1)S(=O)(=O)N1CCN(CC)CC1)C1=NC2=C(CC)N(CC3=CC=CC=N3)N=C2C(=O)N1 UK-343664 215297-27-1|UK-343664 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047289
ERPathway2016 ERPathway2016_1377 UK-343664 215297-27-1 DTXSID1047289 ER Pathway Model, Agonist Call Inactive Unitless CCCOC1=C(C=C(C=C1)S(=O)(=O)N1CCN(CC)CC1)C1=NC2=C(CC)N(CC3=CC=CC=N3)N=C2C(=O)N1 UK-343664 215297-27-1|UK-343664 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047289
ERPathway2016 ERPathway2016_1377 UK-343664 215297-27-1 DTXSID1047289 ER Pathway Model, Antagonist Call Inactive Unitless CCCOC1=C(C=C(C=C1)S(=O)(=O)N1CCN(CC)CC1)C1=NC2=C(CC)N(CC3=CC=CC=N3)N=C2C(=O)N1 UK-343664 215297-27-1|UK-343664 https://comptox.epa.gov/dashboard/chemical/details/DTXSID1047289
ARPathway2016 ARPathway2016_144 UK-373911 291305-06-1 DTXSID5047295 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist AC50 25.8465141255455 uM CN[C@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=C(C=C12)S(N)(=O)=O UK-373911 291305-06-1|UK-373911 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047295
ARPathway2016 ARPathway2016_144 UK-373911 291305-06-1 DTXSID5047295 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist ACC 25.0371487527363 uM CN[C@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=C(C=C12)S(N)(=O)=O UK-373911 291305-06-1|UK-373911 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047295
ARPathway2016 ARPathway2016_144 UK-373911 291305-06-1 DTXSID5047295 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Model Score 0.129 Unitless CN[C@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=C(C=C12)S(N)(=O)=O UK-373911 291305-06-1|UK-373911 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047295
ARPathway2016 ARPathway2016_144 UK-373911 291305-06-1 DTXSID5047295 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CN[C@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=C(C=C12)S(N)(=O)=O UK-373911 291305-06-1|UK-373911 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047295
ARPathway2016 ARPathway2016_144 UK-373911 291305-06-1 DTXSID5047295 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CN[C@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=C(C=C12)S(N)(=O)=O UK-373911 291305-06-1|UK-373911 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047295
ARPathway2016 ARPathway2016_144 UK-373911 291305-06-1 DTXSID5047295 FLAG: Antagonist shift, but CI overlap 3.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CN[C@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=C(C=C12)S(N)(=O)=O UK-373911 291305-06-1|UK-373911 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047295
ERPathway2016 ERPathway2016_599 UK-373911 291305-06-1 DTXSID5047295 ER Pathway Model, Agonist Model Score 0 Unitless CN[C@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=C(C=C12)S(N)(=O)=O UK-373911 291305-06-1|UK-373911 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047295
ERPathway2016 ERPathway2016_599 UK-373911 291305-06-1 DTXSID5047295 ER Pathway Model, Antagonist Model Score 0 Unitless CN[C@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=C(C=C12)S(N)(=O)=O UK-373911 291305-06-1|UK-373911 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047295
ERPathway2016 ERPathway2016_599 UK-373911 291305-06-1 DTXSID5047295 ER Pathway Model, Agonist Call Inactive Unitless CN[C@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=C(C=C12)S(N)(=O)=O UK-373911 291305-06-1|UK-373911 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047295
ERPathway2016 ERPathway2016_599 UK-373911 291305-06-1 DTXSID5047295 ER Pathway Model, Antagonist Call Inactive Unitless CN[C@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=C(C=C12)S(N)(=O)=O UK-373911 291305-06-1|UK-373911 https://comptox.epa.gov/dashboard/chemical/details/DTXSID5047295
ARPathway2016 ARPathway2016_169 UK-416244 402910-27-4 DTXSID0047290 FLAG: Wrong direction (Hit/No hit) 0.0 A10 AR Pathway Model, Agonist AC50 91.3664486100001 uM CSC1=CC=C(OC2=CC=C(C=C2CN(C)C)S(N)(=O)=O)C=C1C UK-416244 402910-27-4|UK-416244 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047290
ARPathway2016 ARPathway2016_169 UK-416244 402910-27-4 DTXSID0047290 FLAG: Wrong direction (Hit/No hit) 0.0 A10 AR Pathway Model, Agonist ACC 78.9469703600001 uM CSC1=CC=C(OC2=CC=C(C=C2CN(C)C)S(N)(=O)=O)C=C1C UK-416244 402910-27-4|UK-416244 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047290
ARPathway2016 ARPathway2016_169 UK-416244 402910-27-4 DTXSID0047290 FLAG: Wrong direction (Hit/No hit) 0.0 A10 AR Pathway Model, Antagonist Model Score 0.0323 Unitless CSC1=CC=C(OC2=CC=C(C=C2CN(C)C)S(N)(=O)=O)C=C1C UK-416244 402910-27-4|UK-416244 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047290
ARPathway2016 ARPathway2016_169 UK-416244 402910-27-4 DTXSID0047290 FLAG: Wrong direction (Hit/No hit) 0.0 A10 AR Pathway Model, Agonist Model Score 0 Unitless CSC1=CC=C(OC2=CC=C(C=C2CN(C)C)S(N)(=O)=O)C=C1C UK-416244 402910-27-4|UK-416244 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047290
ARPathway2016 ARPathway2016_169 UK-416244 402910-27-4 DTXSID0047290 FLAG: Wrong direction (Hit/No hit) 0.0 A10 AR Pathway Model, Agonist Call Active Unitless CSC1=CC=C(OC2=CC=C(C=C2CN(C)C)S(N)(=O)=O)C=C1C UK-416244 402910-27-4|UK-416244 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047290
ARPathway2016 ARPathway2016_169 UK-416244 402910-27-4 DTXSID0047290 FLAG: Wrong direction (Hit/No hit) 0.0 A10 AR Pathway Model, Antagonist Call Inactive Unitless CSC1=CC=C(OC2=CC=C(C=C2CN(C)C)S(N)(=O)=O)C=C1C UK-416244 402910-27-4|UK-416244 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047290
ERPathway2016 ERPathway2016_586 UK-416244 402910-27-4 DTXSID0047290 ER Pathway Model, Agonist Model Score 0 Unitless CSC1=CC=C(OC2=CC=C(C=C2CN(C)C)S(N)(=O)=O)C=C1C UK-416244 402910-27-4|UK-416244 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047290
ERPathway2016 ERPathway2016_586 UK-416244 402910-27-4 DTXSID0047290 ER Pathway Model, Antagonist Model Score 0 Unitless CSC1=CC=C(OC2=CC=C(C=C2CN(C)C)S(N)(=O)=O)C=C1C UK-416244 402910-27-4|UK-416244 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047290
ERPathway2016 ERPathway2016_586 UK-416244 402910-27-4 DTXSID0047290 ER Pathway Model, Agonist Call Inactive Unitless CSC1=CC=C(OC2=CC=C(C=C2CN(C)C)S(N)(=O)=O)C=C1C UK-416244 402910-27-4|UK-416244 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047290
ERPathway2016 ERPathway2016_586 UK-416244 402910-27-4 DTXSID0047290 ER Pathway Model, Antagonist Call Inactive Unitless CSC1=CC=C(OC2=CC=C(C=C2CN(C)C)S(N)(=O)=O)C=C1C UK-416244 402910-27-4|UK-416244 https://comptox.epa.gov/dashboard/chemical/details/DTXSID0047290
ARPathway2016 ARPathway2016_591 Undecane 1120-21-4 DTXSID9021689 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCC Undecane 1120-21-4|Undecane|214-300-6|4-01-00-00487|BRN 1697099|EC No.: 214-300-6|EINECS 214-300-6|Halpaclean|HENDECANE|N 11|n-Undecane|Nikko Elace|NSC 66159|UN 2330|Undecan|undecano|UNII-JV0QT00NUE|1714962-75-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021689
ARPathway2016 ARPathway2016_591 Undecane 1120-21-4 DTXSID9021689 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCC Undecane 1120-21-4|Undecane|214-300-6|4-01-00-00487|BRN 1697099|EC No.: 214-300-6|EINECS 214-300-6|Halpaclean|HENDECANE|N 11|n-Undecane|Nikko Elace|NSC 66159|UN 2330|Undecan|undecano|UNII-JV0QT00NUE|1714962-75-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021689
ARPathway2016 ARPathway2016_591 Undecane 1120-21-4 DTXSID9021689 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCC Undecane 1120-21-4|Undecane|214-300-6|4-01-00-00487|BRN 1697099|EC No.: 214-300-6|EINECS 214-300-6|Halpaclean|HENDECANE|N 11|n-Undecane|Nikko Elace|NSC 66159|UN 2330|Undecan|undecano|UNII-JV0QT00NUE|1714962-75-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021689
ARPathway2016 ARPathway2016_591 Undecane 1120-21-4 DTXSID9021689 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCC Undecane 1120-21-4|Undecane|214-300-6|4-01-00-00487|BRN 1697099|EC No.: 214-300-6|EINECS 214-300-6|Halpaclean|HENDECANE|N 11|n-Undecane|Nikko Elace|NSC 66159|UN 2330|Undecan|undecano|UNII-JV0QT00NUE|1714962-75-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021689
ERPathway2016 ERPathway2016_1165 Undecane 1120-21-4 DTXSID9021689 ER Pathway Model, Agonist Model Score 0 Unitless CCCCCCCCCCC Undecane 1120-21-4|Undecane|214-300-6|4-01-00-00487|BRN 1697099|EC No.: 214-300-6|EINECS 214-300-6|Halpaclean|HENDECANE|N 11|n-Undecane|Nikko Elace|NSC 66159|UN 2330|Undecan|undecano|UNII-JV0QT00NUE|1714962-75-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021689
ERPathway2016 ERPathway2016_1165 Undecane 1120-21-4 DTXSID9021689 ER Pathway Model, Antagonist Model Score 0 Unitless CCCCCCCCCCC Undecane 1120-21-4|Undecane|214-300-6|4-01-00-00487|BRN 1697099|EC No.: 214-300-6|EINECS 214-300-6|Halpaclean|HENDECANE|N 11|n-Undecane|Nikko Elace|NSC 66159|UN 2330|Undecan|undecano|UNII-JV0QT00NUE|1714962-75-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021689
ERPathway2016 ERPathway2016_1165 Undecane 1120-21-4 DTXSID9021689 ER Pathway Model, Agonist Call Inactive Unitless CCCCCCCCCCC Undecane 1120-21-4|Undecane|214-300-6|4-01-00-00487|BRN 1697099|EC No.: 214-300-6|EINECS 214-300-6|Halpaclean|HENDECANE|N 11|n-Undecane|Nikko Elace|NSC 66159|UN 2330|Undecan|undecano|UNII-JV0QT00NUE|1714962-75-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021689
ERPathway2016 ERPathway2016_1165 Undecane 1120-21-4 DTXSID9021689 ER Pathway Model, Antagonist Call Inactive Unitless CCCCCCCCCCC Undecane 1120-21-4|Undecane|214-300-6|4-01-00-00487|BRN 1697099|EC No.: 214-300-6|EINECS 214-300-6|Halpaclean|HENDECANE|N 11|n-Undecane|Nikko Elace|NSC 66159|UN 2330|Undecan|undecano|UNII-JV0QT00NUE|1714962-75-0 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021689
ARPathway2016 ARPathway2016_1340 Urea 57-13-6 DTXSID4021426 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Model Score 0 Unitless NC(N)=O Urea 57-13-6|Urea|Alphadrate|Amide of carbonic acid|Antisepsis bolus|Aqua Care HP|Aquacare|Aquadrate|ARF|B-I-k|Basodexan|beta-I-k|Bromisovalum|Bubber shet|Calmurid|Calmurid HC|Carbaderm|CARBAMIDE|Carbamide resin|Carbamimidic acid|Carbonyl diamide|Carbonyl diamine|carbonyldiamide|Carbonyldiamine|Carmol|Caswell No. 902|E927b|EINECS 200-315-5|Elaqua XX|EPA Pesticide Chemical Code 085702|Eucerin 10% Urea Lotion|H2NC(O)NH2|Harnstoff|Helicosol|Hyanit|Isourea|Karbamid|Keratinamin|Keratinamin Kowa|Mocovina|NCI-C02119|NSC 34375|Nutraplus|Onychomal|Optigen 1200|Panafil|Pastaron|Pastaron 10|Pastaron 20|Pastaron 20 soft|Pastaron soft|Prespersion, 75 urea|Pseudourea|Rubinol ST 010|Sterile urea|Supercel 3000|Ultra Mide|UNII-8W8T17847W|ur|URE|Urea perhydrate|Urea, potassium salt|Ureacin-10 lotion|Ureacin-40 Creme|Ureaphil|uree|Ureophil|Urepeal|Urepeal L|Urepearl|Urevert|Uroderm|Varioform II|118548-06-4|1202865-46-0|1228376-38-2|1262769-89-0|1637232-71-3|2060607-07-8|2417243-36-6|30535-50-3|860639-56-1|923953-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021426 https://doi.org/10.22427/NTP-DATA-DTXSID4021426
ARPathway2016 ARPathway2016_1340 Urea 57-13-6 DTXSID4021426 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Model Score 0 Unitless NC(N)=O Urea 57-13-6|Urea|Alphadrate|Amide of carbonic acid|Antisepsis bolus|Aqua Care HP|Aquacare|Aquadrate|ARF|B-I-k|Basodexan|beta-I-k|Bromisovalum|Bubber shet|Calmurid|Calmurid HC|Carbaderm|CARBAMIDE|Carbamide resin|Carbamimidic acid|Carbonyl diamide|Carbonyl diamine|carbonyldiamide|Carbonyldiamine|Carmol|Caswell No. 902|E927b|EINECS 200-315-5|Elaqua XX|EPA Pesticide Chemical Code 085702|Eucerin 10% Urea Lotion|H2NC(O)NH2|Harnstoff|Helicosol|Hyanit|Isourea|Karbamid|Keratinamin|Keratinamin Kowa|Mocovina|NCI-C02119|NSC 34375|Nutraplus|Onychomal|Optigen 1200|Panafil|Pastaron|Pastaron 10|Pastaron 20|Pastaron 20 soft|Pastaron soft|Prespersion, 75 urea|Pseudourea|Rubinol ST 010|Sterile urea|Supercel 3000|Ultra Mide|UNII-8W8T17847W|ur|URE|Urea perhydrate|Urea, potassium salt|Ureacin-10 lotion|Ureacin-40 Creme|Ureaphil|uree|Ureophil|Urepeal|Urepeal L|Urepearl|Urevert|Uroderm|Varioform II|118548-06-4|1202865-46-0|1228376-38-2|1262769-89-0|1637232-71-3|2060607-07-8|2417243-36-6|30535-50-3|860639-56-1|923953-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021426 https://doi.org/10.22427/NTP-DATA-DTXSID4021426
ARPathway2016 ARPathway2016_1340 Urea 57-13-6 DTXSID4021426 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Agonist Call Inactive Unitless NC(N)=O Urea 57-13-6|Urea|Alphadrate|Amide of carbonic acid|Antisepsis bolus|Aqua Care HP|Aquacare|Aquadrate|ARF|B-I-k|Basodexan|beta-I-k|Bromisovalum|Bubber shet|Calmurid|Calmurid HC|Carbaderm|CARBAMIDE|Carbamide resin|Carbamimidic acid|Carbonyl diamide|Carbonyl diamine|carbonyldiamide|Carbonyldiamine|Carmol|Caswell No. 902|E927b|EINECS 200-315-5|Elaqua XX|EPA Pesticide Chemical Code 085702|Eucerin 10% Urea Lotion|H2NC(O)NH2|Harnstoff|Helicosol|Hyanit|Isourea|Karbamid|Keratinamin|Keratinamin Kowa|Mocovina|NCI-C02119|NSC 34375|Nutraplus|Onychomal|Optigen 1200|Panafil|Pastaron|Pastaron 10|Pastaron 20|Pastaron 20 soft|Pastaron soft|Prespersion, 75 urea|Pseudourea|Rubinol ST 010|Sterile urea|Supercel 3000|Ultra Mide|UNII-8W8T17847W|ur|URE|Urea perhydrate|Urea, potassium salt|Ureacin-10 lotion|Ureacin-40 Creme|Ureaphil|uree|Ureophil|Urepeal|Urepeal L|Urepearl|Urevert|Uroderm|Varioform II|118548-06-4|1202865-46-0|1228376-38-2|1262769-89-0|1637232-71-3|2060607-07-8|2417243-36-6|30535-50-3|860639-56-1|923953-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021426 https://doi.org/10.22427/NTP-DATA-DTXSID4021426
ARPathway2016 ARPathway2016_1340 Urea 57-13-6 DTXSID4021426 True antagonist shift (No hit/Hit) 3.0 A11 AR Pathway Model, Antagonist Call Inactive Unitless NC(N)=O Urea 57-13-6|Urea|Alphadrate|Amide of carbonic acid|Antisepsis bolus|Aqua Care HP|Aquacare|Aquadrate|ARF|B-I-k|Basodexan|beta-I-k|Bromisovalum|Bubber shet|Calmurid|Calmurid HC|Carbaderm|CARBAMIDE|Carbamide resin|Carbamimidic acid|Carbonyl diamide|Carbonyl diamine|carbonyldiamide|Carbonyldiamine|Carmol|Caswell No. 902|E927b|EINECS 200-315-5|Elaqua XX|EPA Pesticide Chemical Code 085702|Eucerin 10% Urea Lotion|H2NC(O)NH2|Harnstoff|Helicosol|Hyanit|Isourea|Karbamid|Keratinamin|Keratinamin Kowa|Mocovina|NCI-C02119|NSC 34375|Nutraplus|Onychomal|Optigen 1200|Panafil|Pastaron|Pastaron 10|Pastaron 20|Pastaron 20 soft|Pastaron soft|Prespersion, 75 urea|Pseudourea|Rubinol ST 010|Sterile urea|Supercel 3000|Ultra Mide|UNII-8W8T17847W|ur|URE|Urea perhydrate|Urea, potassium salt|Ureacin-10 lotion|Ureacin-40 Creme|Ureaphil|uree|Ureophil|Urepeal|Urepeal L|Urepearl|Urevert|Uroderm|Varioform II|118548-06-4|1202865-46-0|1228376-38-2|1262769-89-0|1637232-71-3|2060607-07-8|2417243-36-6|30535-50-3|860639-56-1|923953-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021426 https://doi.org/10.22427/NTP-DATA-DTXSID4021426
ERPathway2016 ERPathway2016_1546 Urea 57-13-6 DTXSID4021426 ER Pathway Model, Agonist Model Score 0 Unitless NC(N)=O Urea 57-13-6|Urea|Alphadrate|Amide of carbonic acid|Antisepsis bolus|Aqua Care HP|Aquacare|Aquadrate|ARF|B-I-k|Basodexan|beta-I-k|Bromisovalum|Bubber shet|Calmurid|Calmurid HC|Carbaderm|CARBAMIDE|Carbamide resin|Carbamimidic acid|Carbonyl diamide|Carbonyl diamine|carbonyldiamide|Carbonyldiamine|Carmol|Caswell No. 902|E927b|EINECS 200-315-5|Elaqua XX|EPA Pesticide Chemical Code 085702|Eucerin 10% Urea Lotion|H2NC(O)NH2|Harnstoff|Helicosol|Hyanit|Isourea|Karbamid|Keratinamin|Keratinamin Kowa|Mocovina|NCI-C02119|NSC 34375|Nutraplus|Onychomal|Optigen 1200|Panafil|Pastaron|Pastaron 10|Pastaron 20|Pastaron 20 soft|Pastaron soft|Prespersion, 75 urea|Pseudourea|Rubinol ST 010|Sterile urea|Supercel 3000|Ultra Mide|UNII-8W8T17847W|ur|URE|Urea perhydrate|Urea, potassium salt|Ureacin-10 lotion|Ureacin-40 Creme|Ureaphil|uree|Ureophil|Urepeal|Urepeal L|Urepearl|Urevert|Uroderm|Varioform II|118548-06-4|1202865-46-0|1228376-38-2|1262769-89-0|1637232-71-3|2060607-07-8|2417243-36-6|30535-50-3|860639-56-1|923953-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021426 https://doi.org/10.22427/NTP-DATA-DTXSID4021426
ERPathway2016 ERPathway2016_1546 Urea 57-13-6 DTXSID4021426 ER Pathway Model, Antagonist Model Score 0 Unitless NC(N)=O Urea 57-13-6|Urea|Alphadrate|Amide of carbonic acid|Antisepsis bolus|Aqua Care HP|Aquacare|Aquadrate|ARF|B-I-k|Basodexan|beta-I-k|Bromisovalum|Bubber shet|Calmurid|Calmurid HC|Carbaderm|CARBAMIDE|Carbamide resin|Carbamimidic acid|Carbonyl diamide|Carbonyl diamine|carbonyldiamide|Carbonyldiamine|Carmol|Caswell No. 902|E927b|EINECS 200-315-5|Elaqua XX|EPA Pesticide Chemical Code 085702|Eucerin 10% Urea Lotion|H2NC(O)NH2|Harnstoff|Helicosol|Hyanit|Isourea|Karbamid|Keratinamin|Keratinamin Kowa|Mocovina|NCI-C02119|NSC 34375|Nutraplus|Onychomal|Optigen 1200|Panafil|Pastaron|Pastaron 10|Pastaron 20|Pastaron 20 soft|Pastaron soft|Prespersion, 75 urea|Pseudourea|Rubinol ST 010|Sterile urea|Supercel 3000|Ultra Mide|UNII-8W8T17847W|ur|URE|Urea perhydrate|Urea, potassium salt|Ureacin-10 lotion|Ureacin-40 Creme|Ureaphil|uree|Ureophil|Urepeal|Urepeal L|Urepearl|Urevert|Uroderm|Varioform II|118548-06-4|1202865-46-0|1228376-38-2|1262769-89-0|1637232-71-3|2060607-07-8|2417243-36-6|30535-50-3|860639-56-1|923953-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021426 https://doi.org/10.22427/NTP-DATA-DTXSID4021426
ERPathway2016 ERPathway2016_1546 Urea 57-13-6 DTXSID4021426 ER Pathway Model, Agonist Call Inactive Unitless NC(N)=O Urea 57-13-6|Urea|Alphadrate|Amide of carbonic acid|Antisepsis bolus|Aqua Care HP|Aquacare|Aquadrate|ARF|B-I-k|Basodexan|beta-I-k|Bromisovalum|Bubber shet|Calmurid|Calmurid HC|Carbaderm|CARBAMIDE|Carbamide resin|Carbamimidic acid|Carbonyl diamide|Carbonyl diamine|carbonyldiamide|Carbonyldiamine|Carmol|Caswell No. 902|E927b|EINECS 200-315-5|Elaqua XX|EPA Pesticide Chemical Code 085702|Eucerin 10% Urea Lotion|H2NC(O)NH2|Harnstoff|Helicosol|Hyanit|Isourea|Karbamid|Keratinamin|Keratinamin Kowa|Mocovina|NCI-C02119|NSC 34375|Nutraplus|Onychomal|Optigen 1200|Panafil|Pastaron|Pastaron 10|Pastaron 20|Pastaron 20 soft|Pastaron soft|Prespersion, 75 urea|Pseudourea|Rubinol ST 010|Sterile urea|Supercel 3000|Ultra Mide|UNII-8W8T17847W|ur|URE|Urea perhydrate|Urea, potassium salt|Ureacin-10 lotion|Ureacin-40 Creme|Ureaphil|uree|Ureophil|Urepeal|Urepeal L|Urepearl|Urevert|Uroderm|Varioform II|118548-06-4|1202865-46-0|1228376-38-2|1262769-89-0|1637232-71-3|2060607-07-8|2417243-36-6|30535-50-3|860639-56-1|923953-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021426 https://doi.org/10.22427/NTP-DATA-DTXSID4021426
ERPathway2016 ERPathway2016_1546 Urea 57-13-6 DTXSID4021426 ER Pathway Model, Antagonist Call Inactive Unitless NC(N)=O Urea 57-13-6|Urea|Alphadrate|Amide of carbonic acid|Antisepsis bolus|Aqua Care HP|Aquacare|Aquadrate|ARF|B-I-k|Basodexan|beta-I-k|Bromisovalum|Bubber shet|Calmurid|Calmurid HC|Carbaderm|CARBAMIDE|Carbamide resin|Carbamimidic acid|Carbonyl diamide|Carbonyl diamine|carbonyldiamide|Carbonyldiamine|Carmol|Caswell No. 902|E927b|EINECS 200-315-5|Elaqua XX|EPA Pesticide Chemical Code 085702|Eucerin 10% Urea Lotion|H2NC(O)NH2|Harnstoff|Helicosol|Hyanit|Isourea|Karbamid|Keratinamin|Keratinamin Kowa|Mocovina|NCI-C02119|NSC 34375|Nutraplus|Onychomal|Optigen 1200|Panafil|Pastaron|Pastaron 10|Pastaron 20|Pastaron 20 soft|Pastaron soft|Prespersion, 75 urea|Pseudourea|Rubinol ST 010|Sterile urea|Supercel 3000|Ultra Mide|UNII-8W8T17847W|ur|URE|Urea perhydrate|Urea, potassium salt|Ureacin-10 lotion|Ureacin-40 Creme|Ureaphil|uree|Ureophil|Urepeal|Urepeal L|Urepearl|Urevert|Uroderm|Varioform II|118548-06-4|1202865-46-0|1228376-38-2|1262769-89-0|1637232-71-3|2060607-07-8|2417243-36-6|30535-50-3|860639-56-1|923953-70-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021426 https://doi.org/10.22427/NTP-DATA-DTXSID4021426
ARPathway2016 ARPathway2016_1268 Urethane 51-79-6 DTXSID9021427 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCOC(N)=O Urethane 51-79-6|Urethane|Aethylcarbamat|Aethylurethan|Carbamic acid ethyl ester|Carbamic acid, ethyl ester|Carbamidsaeure-aethylester|CARBAMINSAEURE-AETHYLESTER|EINECS 200-123-1|Estane 5703|Ethyl aminoformate|Ethyl carbamate|Ethyl urethan|Ethyl urethane|Ethylcarbamate|Ethylester kyseliny karbaminove|Ethylurethan|Ethylurethane|Leucethane|NSC 746|O-Ethylurethane|Pracarbamin|Pracarbamine|RCRA waste number U238|U-Compound|UNII-3IN71E75Z5|Uretan etylowy|uretano|Urethan|Urethanum|121382-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021427
ARPathway2016 ARPathway2016_1268 Urethane 51-79-6 DTXSID9021427 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCOC(N)=O Urethane 51-79-6|Urethane|Aethylcarbamat|Aethylurethan|Carbamic acid ethyl ester|Carbamic acid, ethyl ester|Carbamidsaeure-aethylester|CARBAMINSAEURE-AETHYLESTER|EINECS 200-123-1|Estane 5703|Ethyl aminoformate|Ethyl carbamate|Ethyl urethan|Ethyl urethane|Ethylcarbamate|Ethylester kyseliny karbaminove|Ethylurethan|Ethylurethane|Leucethane|NSC 746|O-Ethylurethane|Pracarbamin|Pracarbamine|RCRA waste number U238|U-Compound|UNII-3IN71E75Z5|Uretan etylowy|uretano|Urethan|Urethanum|121382-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021427
ARPathway2016 ARPathway2016_1268 Urethane 51-79-6 DTXSID9021427 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCOC(N)=O Urethane 51-79-6|Urethane|Aethylcarbamat|Aethylurethan|Carbamic acid ethyl ester|Carbamic acid, ethyl ester|Carbamidsaeure-aethylester|CARBAMINSAEURE-AETHYLESTER|EINECS 200-123-1|Estane 5703|Ethyl aminoformate|Ethyl carbamate|Ethyl urethan|Ethyl urethane|Ethylcarbamate|Ethylester kyseliny karbaminove|Ethylurethan|Ethylurethane|Leucethane|NSC 746|O-Ethylurethane|Pracarbamin|Pracarbamine|RCRA waste number U238|U-Compound|UNII-3IN71E75Z5|Uretan etylowy|uretano|Urethan|Urethanum|121382-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021427
ARPathway2016 ARPathway2016_1268 Urethane 51-79-6 DTXSID9021427 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCOC(N)=O Urethane 51-79-6|Urethane|Aethylcarbamat|Aethylurethan|Carbamic acid ethyl ester|Carbamic acid, ethyl ester|Carbamidsaeure-aethylester|CARBAMINSAEURE-AETHYLESTER|EINECS 200-123-1|Estane 5703|Ethyl aminoformate|Ethyl carbamate|Ethyl urethan|Ethyl urethane|Ethylcarbamate|Ethylester kyseliny karbaminove|Ethylurethan|Ethylurethane|Leucethane|NSC 746|O-Ethylurethane|Pracarbamin|Pracarbamine|RCRA waste number U238|U-Compound|UNII-3IN71E75Z5|Uretan etylowy|uretano|Urethan|Urethanum|121382-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021427
ERPathway2016 ERPathway2016_483 Urethane 51-79-6 DTXSID9021427 ER Pathway Model, Antagonist AC50 51.8122392058825 uM CCOC(N)=O Urethane 51-79-6|Urethane|Aethylcarbamat|Aethylurethan|Carbamic acid ethyl ester|Carbamic acid, ethyl ester|Carbamidsaeure-aethylester|CARBAMINSAEURE-AETHYLESTER|EINECS 200-123-1|Estane 5703|Ethyl aminoformate|Ethyl carbamate|Ethyl urethan|Ethyl urethane|Ethylcarbamate|Ethylester kyseliny karbaminove|Ethylurethan|Ethylurethane|Leucethane|NSC 746|O-Ethylurethane|Pracarbamin|Pracarbamine|RCRA waste number U238|U-Compound|UNII-3IN71E75Z5|Uretan etylowy|uretano|Urethan|Urethanum|121382-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021427
ERPathway2016 ERPathway2016_483 Urethane 51-79-6 DTXSID9021427 ER Pathway Model, Antagonist ACC 80.0277344487461 uM CCOC(N)=O Urethane 51-79-6|Urethane|Aethylcarbamat|Aethylurethan|Carbamic acid ethyl ester|Carbamic acid, ethyl ester|Carbamidsaeure-aethylester|CARBAMINSAEURE-AETHYLESTER|EINECS 200-123-1|Estane 5703|Ethyl aminoformate|Ethyl carbamate|Ethyl urethan|Ethyl urethane|Ethylcarbamate|Ethylester kyseliny karbaminove|Ethylurethan|Ethylurethane|Leucethane|NSC 746|O-Ethylurethane|Pracarbamin|Pracarbamine|RCRA waste number U238|U-Compound|UNII-3IN71E75Z5|Uretan etylowy|uretano|Urethan|Urethanum|121382-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021427
ERPathway2016 ERPathway2016_483 Urethane 51-79-6 DTXSID9021427 ER Pathway Model, Agonist Model Score 0.00138 Unitless CCOC(N)=O Urethane 51-79-6|Urethane|Aethylcarbamat|Aethylurethan|Carbamic acid ethyl ester|Carbamic acid, ethyl ester|Carbamidsaeure-aethylester|CARBAMINSAEURE-AETHYLESTER|EINECS 200-123-1|Estane 5703|Ethyl aminoformate|Ethyl carbamate|Ethyl urethan|Ethyl urethane|Ethylcarbamate|Ethylester kyseliny karbaminove|Ethylurethan|Ethylurethane|Leucethane|NSC 746|O-Ethylurethane|Pracarbamin|Pracarbamine|RCRA waste number U238|U-Compound|UNII-3IN71E75Z5|Uretan etylowy|uretano|Urethan|Urethanum|121382-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021427
ERPathway2016 ERPathway2016_483 Urethane 51-79-6 DTXSID9021427 ER Pathway Model, Antagonist Model Score 0 Unitless CCOC(N)=O Urethane 51-79-6|Urethane|Aethylcarbamat|Aethylurethan|Carbamic acid ethyl ester|Carbamic acid, ethyl ester|Carbamidsaeure-aethylester|CARBAMINSAEURE-AETHYLESTER|EINECS 200-123-1|Estane 5703|Ethyl aminoformate|Ethyl carbamate|Ethyl urethan|Ethyl urethane|Ethylcarbamate|Ethylester kyseliny karbaminove|Ethylurethan|Ethylurethane|Leucethane|NSC 746|O-Ethylurethane|Pracarbamin|Pracarbamine|RCRA waste number U238|U-Compound|UNII-3IN71E75Z5|Uretan etylowy|uretano|Urethan|Urethanum|121382-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021427
ERPathway2016 ERPathway2016_483 Urethane 51-79-6 DTXSID9021427 ER Pathway Model, Agonist Call Inactive Unitless CCOC(N)=O Urethane 51-79-6|Urethane|Aethylcarbamat|Aethylurethan|Carbamic acid ethyl ester|Carbamic acid, ethyl ester|Carbamidsaeure-aethylester|CARBAMINSAEURE-AETHYLESTER|EINECS 200-123-1|Estane 5703|Ethyl aminoformate|Ethyl carbamate|Ethyl urethan|Ethyl urethane|Ethylcarbamate|Ethylester kyseliny karbaminove|Ethylurethan|Ethylurethane|Leucethane|NSC 746|O-Ethylurethane|Pracarbamin|Pracarbamine|RCRA waste number U238|U-Compound|UNII-3IN71E75Z5|Uretan etylowy|uretano|Urethan|Urethanum|121382-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021427
ERPathway2016 ERPathway2016_483 Urethane 51-79-6 DTXSID9021427 ER Pathway Model, Antagonist Call Active Unitless CCOC(N)=O Urethane 51-79-6|Urethane|Aethylcarbamat|Aethylurethan|Carbamic acid ethyl ester|Carbamic acid, ethyl ester|Carbamidsaeure-aethylester|CARBAMINSAEURE-AETHYLESTER|EINECS 200-123-1|Estane 5703|Ethyl aminoformate|Ethyl carbamate|Ethyl urethan|Ethyl urethane|Ethylcarbamate|Ethylester kyseliny karbaminove|Ethylurethan|Ethylurethane|Leucethane|NSC 746|O-Ethylurethane|Pracarbamin|Pracarbamine|RCRA waste number U238|U-Compound|UNII-3IN71E75Z5|Uretan etylowy|uretano|Urethan|Urethanum|121382-27-2 https://comptox.epa.gov/dashboard/chemical/details/DTXSID9021427
ARPathway2016 ARPathway2016_1821 Valproic acid 99-66-1 DTXSID6023733 1.0 R4 AR Pathway Model, Antagonist Model Score 0 Unitless CCCC(CCC)C(O)=O Valproic acid 99-66-1|Valproic acid|(N-C3H7)2CHCOOH|(S)-2-propyl-4-pentanoate|(S)-2-propyl-4-pentanoic acid|2-n-propyl-n-valeric acid|2-Propan-1-ylpentanoic acid|2-Propyl-Pentanoate|2-Propyl-Pentanoic acid|2-Propylpentanoate|2-Propylpentanoic acid|2-Propylvaleriansaure|2-propylvaleric acid|2,2-Di-n-propylacetic acid|4-Heptanecarboxylic acid|44089|Abbott 44090|Acetic acid, dipropyl-|acide 2-propylvalerique|Acide valproique|acido 2-propilvalerico|Acido valproico|Acidum valproicum|Alti-valproic|APO-divalproex|Apo-valproic|Apo-valproic syrup|Avugane|Baceca|BRN 1750447|Convulex|Delepsine|Depakene|Depakin|Depakin chrono|Depakine|Depakine chrono|Depakine-chrono|Deproic|Di-n-propylacetic acid|Di-n-propylessigsaeure|Di-N-propylessigsaure|Dipropylacetate|Dipropylacetic acid|Divalproex|DOM-divalproex|Dom-valproate|DOM-valproic|Dom-valproic acid|DOM-valproic acid E.C.|DPA|EINECS 202-777-3|Epiject I.V.|Epilex|Epilim|Epival|Epival er|Ergenyl|Gen-divalproex|Kyselina 2-propylvalerova|Med valproic|Mylproin|Myproate|Myproic acid|n-Dipropylacetic acid|n-DPA|Novo- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023733 https://doi.org/10.22427/NTP-DATA-DTXSID6023733
ARPathway2016 ARPathway2016_1821 Valproic acid 99-66-1 DTXSID6023733 1.0 R4 AR Pathway Model, Agonist Model Score 0 Unitless CCCC(CCC)C(O)=O Valproic acid 99-66-1|Valproic acid|(N-C3H7)2CHCOOH|(S)-2-propyl-4-pentanoate|(S)-2-propyl-4-pentanoic acid|2-n-propyl-n-valeric acid|2-Propan-1-ylpentanoic acid|2-Propyl-Pentanoate|2-Propyl-Pentanoic acid|2-Propylpentanoate|2-Propylpentanoic acid|2-Propylvaleriansaure|2-propylvaleric acid|2,2-Di-n-propylacetic acid|4-Heptanecarboxylic acid|44089|Abbott 44090|Acetic acid, dipropyl-|acide 2-propylvalerique|Acide valproique|acido 2-propilvalerico|Acido valproico|Acidum valproicum|Alti-valproic|APO-divalproex|Apo-valproic|Apo-valproic syrup|Avugane|Baceca|BRN 1750447|Convulex|Delepsine|Depakene|Depakin|Depakin chrono|Depakine|Depakine chrono|Depakine-chrono|Deproic|Di-n-propylacetic acid|Di-n-propylessigsaeure|Di-N-propylessigsaure|Dipropylacetate|Dipropylacetic acid|Divalproex|DOM-divalproex|Dom-valproate|DOM-valproic|Dom-valproic acid|DOM-valproic acid E.C.|DPA|EINECS 202-777-3|Epiject I.V.|Epilex|Epilim|Epival|Epival er|Ergenyl|Gen-divalproex|Kyselina 2-propylvalerova|Med valproic|Mylproin|Myproate|Myproic acid|n-Dipropylacetic acid|n-DPA|Novo- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023733 https://doi.org/10.22427/NTP-DATA-DTXSID6023733
ARPathway2016 ARPathway2016_1821 Valproic acid 99-66-1 DTXSID6023733 1.0 R4 AR Pathway Model, Agonist Call Inactive Unitless CCCC(CCC)C(O)=O Valproic acid 99-66-1|Valproic acid|(N-C3H7)2CHCOOH|(S)-2-propyl-4-pentanoate|(S)-2-propyl-4-pentanoic acid|2-n-propyl-n-valeric acid|2-Propan-1-ylpentanoic acid|2-Propyl-Pentanoate|2-Propyl-Pentanoic acid|2-Propylpentanoate|2-Propylpentanoic acid|2-Propylvaleriansaure|2-propylvaleric acid|2,2-Di-n-propylacetic acid|4-Heptanecarboxylic acid|44089|Abbott 44090|Acetic acid, dipropyl-|acide 2-propylvalerique|Acide valproique|acido 2-propilvalerico|Acido valproico|Acidum valproicum|Alti-valproic|APO-divalproex|Apo-valproic|Apo-valproic syrup|Avugane|Baceca|BRN 1750447|Convulex|Delepsine|Depakene|Depakin|Depakin chrono|Depakine|Depakine chrono|Depakine-chrono|Deproic|Di-n-propylacetic acid|Di-n-propylessigsaeure|Di-N-propylessigsaure|Dipropylacetate|Dipropylacetic acid|Divalproex|DOM-divalproex|Dom-valproate|DOM-valproic|Dom-valproic acid|DOM-valproic acid E.C.|DPA|EINECS 202-777-3|Epiject I.V.|Epilex|Epilim|Epival|Epival er|Ergenyl|Gen-divalproex|Kyselina 2-propylvalerova|Med valproic|Mylproin|Myproate|Myproic acid|n-Dipropylacetic acid|n-DPA|Novo- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023733 https://doi.org/10.22427/NTP-DATA-DTXSID6023733
ARPathway2016 ARPathway2016_1821 Valproic acid 99-66-1 DTXSID6023733 1.0 R4 AR Pathway Model, Antagonist Call Inactive Unitless CCCC(CCC)C(O)=O Valproic acid 99-66-1|Valproic acid|(N-C3H7)2CHCOOH|(S)-2-propyl-4-pentanoate|(S)-2-propyl-4-pentanoic acid|2-n-propyl-n-valeric acid|2-Propan-1-ylpentanoic acid|2-Propyl-Pentanoate|2-Propyl-Pentanoic acid|2-Propylpentanoate|2-Propylpentanoic acid|2-Propylvaleriansaure|2-propylvaleric acid|2,2-Di-n-propylacetic acid|4-Heptanecarboxylic acid|44089|Abbott 44090|Acetic acid, dipropyl-|acide 2-propylvalerique|Acide valproique|acido 2-propilvalerico|Acido valproico|Acidum valproicum|Alti-valproic|APO-divalproex|Apo-valproic|Apo-valproic syrup|Avugane|Baceca|BRN 1750447|Convulex|Delepsine|Depakene|Depakin|Depakin chrono|Depakine|Depakine chrono|Depakine-chrono|Deproic|Di-n-propylacetic acid|Di-n-propylessigsaeure|Di-N-propylessigsaure|Dipropylacetate|Dipropylacetic acid|Divalproex|DOM-divalproex|Dom-valproate|DOM-valproic|Dom-valproic acid|DOM-valproic acid E.C.|DPA|EINECS 202-777-3|Epiject I.V.|Epilex|Epilim|Epival|Epival er|Ergenyl|Gen-divalproex|Kyselina 2-propylvalerova|Med valproic|Mylproin|Myproate|Myproic acid|n-Dipropylacetic acid|n-DPA|Novo- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023733 https://doi.org/10.22427/NTP-DATA-DTXSID6023733
ERPathway2016 ERPathway2016_1800 Valproic acid 99-66-1 DTXSID6023733 ER Pathway Model, Agonist Model Score 0 Unitless CCCC(CCC)C(O)=O Valproic acid 99-66-1|Valproic acid|(N-C3H7)2CHCOOH|(S)-2-propyl-4-pentanoate|(S)-2-propyl-4-pentanoic acid|2-n-propyl-n-valeric acid|2-Propan-1-ylpentanoic acid|2-Propyl-Pentanoate|2-Propyl-Pentanoic acid|2-Propylpentanoate|2-Propylpentanoic acid|2-Propylvaleriansaure|2-propylvaleric acid|2,2-Di-n-propylacetic acid|4-Heptanecarboxylic acid|44089|Abbott 44090|Acetic acid, dipropyl-|acide 2-propylvalerique|Acide valproique|acido 2-propilvalerico|Acido valproico|Acidum valproicum|Alti-valproic|APO-divalproex|Apo-valproic|Apo-valproic syrup|Avugane|Baceca|BRN 1750447|Convulex|Delepsine|Depakene|Depakin|Depakin chrono|Depakine|Depakine chrono|Depakine-chrono|Deproic|Di-n-propylacetic acid|Di-n-propylessigsaeure|Di-N-propylessigsaure|Dipropylacetate|Dipropylacetic acid|Divalproex|DOM-divalproex|Dom-valproate|DOM-valproic|Dom-valproic acid|DOM-valproic acid E.C.|DPA|EINECS 202-777-3|Epiject I.V.|Epilex|Epilim|Epival|Epival er|Ergenyl|Gen-divalproex|Kyselina 2-propylvalerova|Med valproic|Mylproin|Myproate|Myproic acid|n-Dipropylacetic acid|n-DPA|Novo- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023733 https://doi.org/10.22427/NTP-DATA-DTXSID6023733
ERPathway2016 ERPathway2016_1800 Valproic acid 99-66-1 DTXSID6023733 ER Pathway Model, Antagonist Model Score 0 Unitless CCCC(CCC)C(O)=O Valproic acid 99-66-1|Valproic acid|(N-C3H7)2CHCOOH|(S)-2-propyl-4-pentanoate|(S)-2-propyl-4-pentanoic acid|2-n-propyl-n-valeric acid|2-Propan-1-ylpentanoic acid|2-Propyl-Pentanoate|2-Propyl-Pentanoic acid|2-Propylpentanoate|2-Propylpentanoic acid|2-Propylvaleriansaure|2-propylvaleric acid|2,2-Di-n-propylacetic acid|4-Heptanecarboxylic acid|44089|Abbott 44090|Acetic acid, dipropyl-|acide 2-propylvalerique|Acide valproique|acido 2-propilvalerico|Acido valproico|Acidum valproicum|Alti-valproic|APO-divalproex|Apo-valproic|Apo-valproic syrup|Avugane|Baceca|BRN 1750447|Convulex|Delepsine|Depakene|Depakin|Depakin chrono|Depakine|Depakine chrono|Depakine-chrono|Deproic|Di-n-propylacetic acid|Di-n-propylessigsaeure|Di-N-propylessigsaure|Dipropylacetate|Dipropylacetic acid|Divalproex|DOM-divalproex|Dom-valproate|DOM-valproic|Dom-valproic acid|DOM-valproic acid E.C.|DPA|EINECS 202-777-3|Epiject I.V.|Epilex|Epilim|Epival|Epival er|Ergenyl|Gen-divalproex|Kyselina 2-propylvalerova|Med valproic|Mylproin|Myproate|Myproic acid|n-Dipropylacetic acid|n-DPA|Novo- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023733 https://doi.org/10.22427/NTP-DATA-DTXSID6023733
ERPathway2016 ERPathway2016_1800 Valproic acid 99-66-1 DTXSID6023733 ER Pathway Model, Agonist Call Inactive Unitless CCCC(CCC)C(O)=O Valproic acid 99-66-1|Valproic acid|(N-C3H7)2CHCOOH|(S)-2-propyl-4-pentanoate|(S)-2-propyl-4-pentanoic acid|2-n-propyl-n-valeric acid|2-Propan-1-ylpentanoic acid|2-Propyl-Pentanoate|2-Propyl-Pentanoic acid|2-Propylpentanoate|2-Propylpentanoic acid|2-Propylvaleriansaure|2-propylvaleric acid|2,2-Di-n-propylacetic acid|4-Heptanecarboxylic acid|44089|Abbott 44090|Acetic acid, dipropyl-|acide 2-propylvalerique|Acide valproique|acido 2-propilvalerico|Acido valproico|Acidum valproicum|Alti-valproic|APO-divalproex|Apo-valproic|Apo-valproic syrup|Avugane|Baceca|BRN 1750447|Convulex|Delepsine|Depakene|Depakin|Depakin chrono|Depakine|Depakine chrono|Depakine-chrono|Deproic|Di-n-propylacetic acid|Di-n-propylessigsaeure|Di-N-propylessigsaure|Dipropylacetate|Dipropylacetic acid|Divalproex|DOM-divalproex|Dom-valproate|DOM-valproic|Dom-valproic acid|DOM-valproic acid E.C.|DPA|EINECS 202-777-3|Epiject I.V.|Epilex|Epilim|Epival|Epival er|Ergenyl|Gen-divalproex|Kyselina 2-propylvalerova|Med valproic|Mylproin|Myproate|Myproic acid|n-Dipropylacetic acid|n-DPA|Novo- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023733 https://doi.org/10.22427/NTP-DATA-DTXSID6023733
ERPathway2016 ERPathway2016_1800 Valproic acid 99-66-1 DTXSID6023733 ER Pathway Model, Antagonist Call Inactive Unitless CCCC(CCC)C(O)=O Valproic acid 99-66-1|Valproic acid|(N-C3H7)2CHCOOH|(S)-2-propyl-4-pentanoate|(S)-2-propyl-4-pentanoic acid|2-n-propyl-n-valeric acid|2-Propan-1-ylpentanoic acid|2-Propyl-Pentanoate|2-Propyl-Pentanoic acid|2-Propylpentanoate|2-Propylpentanoic acid|2-Propylvaleriansaure|2-propylvaleric acid|2,2-Di-n-propylacetic acid|4-Heptanecarboxylic acid|44089|Abbott 44090|Acetic acid, dipropyl-|acide 2-propylvalerique|Acide valproique|acido 2-propilvalerico|Acido valproico|Acidum valproicum|Alti-valproic|APO-divalproex|Apo-valproic|Apo-valproic syrup|Avugane|Baceca|BRN 1750447|Convulex|Delepsine|Depakene|Depakin|Depakin chrono|Depakine|Depakine chrono|Depakine-chrono|Deproic|Di-n-propylacetic acid|Di-n-propylessigsaeure|Di-N-propylessigsaure|Dipropylacetate|Dipropylacetic acid|Divalproex|DOM-divalproex|Dom-valproate|DOM-valproic|Dom-valproic acid|DOM-valproic acid E.C.|DPA|EINECS 202-777-3|Epiject I.V.|Epilex|Epilim|Epival|Epival er|Ergenyl|Gen-divalproex|Kyselina 2-propylvalerova|Med valproic|Mylproin|Myproate|Myproic acid|n-Dipropylacetic acid|n-DPA|Novo- https://comptox.epa.gov/dashboard/chemical/details/DTXSID6023733 https://doi.org/10.22427/NTP-DATA-DTXSID6023733
ARPathway2016 ARPathway2016_664 Veratraldehyde 120-14-9 DTXSID7026285 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(C=O)C=C1OC Veratraldehyde 120-14-9|Veratraldehyde|204-373-2|3,4-Dimethoxybenzaldehyde|3,4-Dimethoxybenzenecarbonal|4-O-Methylvanillin|Benzaldehyde, 3,4-dimethoxy-|BRN 0473899|EC No.: 204-373-2|EINECS 204-373-2|FEMA No. 3109|Methylvanillin|NSC 24521|NSC 8500|p-Veratric aldehyde|Protocatechualdehyde dimethyl ether|Protocatechuecaldehyde dimethyl ether|Protocatechuic aldehyde dimethyl ether|UNII-UI88P68JZD|Vanillin methyl ether|Veratral|veratraldehido|VERATRIC ALDEHYDE|VERATRUM|Veratrum aldehyde|Veratrumaldehyd|Veratryl aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026285 https://doi.org/10.22427/NTP-DATA-DTXSID7026285
ARPathway2016 ARPathway2016_664 Veratraldehyde 120-14-9 DTXSID7026285 0.0 AR Pathway Model, Agonist Model Score 0 Unitless COC1=CC=C(C=O)C=C1OC Veratraldehyde 120-14-9|Veratraldehyde|204-373-2|3,4-Dimethoxybenzaldehyde|3,4-Dimethoxybenzenecarbonal|4-O-Methylvanillin|Benzaldehyde, 3,4-dimethoxy-|BRN 0473899|EC No.: 204-373-2|EINECS 204-373-2|FEMA No. 3109|Methylvanillin|NSC 24521|NSC 8500|p-Veratric aldehyde|Protocatechualdehyde dimethyl ether|Protocatechuecaldehyde dimethyl ether|Protocatechuic aldehyde dimethyl ether|UNII-UI88P68JZD|Vanillin methyl ether|Veratral|veratraldehido|VERATRIC ALDEHYDE|VERATRUM|Veratrum aldehyde|Veratrumaldehyd|Veratryl aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026285 https://doi.org/10.22427/NTP-DATA-DTXSID7026285
ARPathway2016 ARPathway2016_664 Veratraldehyde 120-14-9 DTXSID7026285 0.0 AR Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(C=O)C=C1OC Veratraldehyde 120-14-9|Veratraldehyde|204-373-2|3,4-Dimethoxybenzaldehyde|3,4-Dimethoxybenzenecarbonal|4-O-Methylvanillin|Benzaldehyde, 3,4-dimethoxy-|BRN 0473899|EC No.: 204-373-2|EINECS 204-373-2|FEMA No. 3109|Methylvanillin|NSC 24521|NSC 8500|p-Veratric aldehyde|Protocatechualdehyde dimethyl ether|Protocatechuecaldehyde dimethyl ether|Protocatechuic aldehyde dimethyl ether|UNII-UI88P68JZD|Vanillin methyl ether|Veratral|veratraldehido|VERATRIC ALDEHYDE|VERATRUM|Veratrum aldehyde|Veratrumaldehyd|Veratryl aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026285 https://doi.org/10.22427/NTP-DATA-DTXSID7026285
ARPathway2016 ARPathway2016_664 Veratraldehyde 120-14-9 DTXSID7026285 0.0 AR Pathway Model, Antagonist Call Inactive Unitless COC1=CC=C(C=O)C=C1OC Veratraldehyde 120-14-9|Veratraldehyde|204-373-2|3,4-Dimethoxybenzaldehyde|3,4-Dimethoxybenzenecarbonal|4-O-Methylvanillin|Benzaldehyde, 3,4-dimethoxy-|BRN 0473899|EC No.: 204-373-2|EINECS 204-373-2|FEMA No. 3109|Methylvanillin|NSC 24521|NSC 8500|p-Veratric aldehyde|Protocatechualdehyde dimethyl ether|Protocatechuecaldehyde dimethyl ether|Protocatechuic aldehyde dimethyl ether|UNII-UI88P68JZD|Vanillin methyl ether|Veratral|veratraldehido|VERATRIC ALDEHYDE|VERATRUM|Veratrum aldehyde|Veratrumaldehyd|Veratryl aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026285 https://doi.org/10.22427/NTP-DATA-DTXSID7026285
ERPathway2016 ERPathway2016_269 Veratraldehyde 120-14-9 DTXSID7026285 ER Pathway Model, Antagonist AC50 17.770640315418 uM COC1=CC=C(C=O)C=C1OC Veratraldehyde 120-14-9|Veratraldehyde|204-373-2|3,4-Dimethoxybenzaldehyde|3,4-Dimethoxybenzenecarbonal|4-O-Methylvanillin|Benzaldehyde, 3,4-dimethoxy-|BRN 0473899|EC No.: 204-373-2|EINECS 204-373-2|FEMA No. 3109|Methylvanillin|NSC 24521|NSC 8500|p-Veratric aldehyde|Protocatechualdehyde dimethyl ether|Protocatechuecaldehyde dimethyl ether|Protocatechuic aldehyde dimethyl ether|UNII-UI88P68JZD|Vanillin methyl ether|Veratral|veratraldehido|VERATRIC ALDEHYDE|VERATRUM|Veratrum aldehyde|Veratrumaldehyd|Veratryl aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026285 https://doi.org/10.22427/NTP-DATA-DTXSID7026285
ERPathway2016 ERPathway2016_269 Veratraldehyde 120-14-9 DTXSID7026285 ER Pathway Model, Antagonist ACC 6.96777958705237 uM COC1=CC=C(C=O)C=C1OC Veratraldehyde 120-14-9|Veratraldehyde|204-373-2|3,4-Dimethoxybenzaldehyde|3,4-Dimethoxybenzenecarbonal|4-O-Methylvanillin|Benzaldehyde, 3,4-dimethoxy-|BRN 0473899|EC No.: 204-373-2|EINECS 204-373-2|FEMA No. 3109|Methylvanillin|NSC 24521|NSC 8500|p-Veratric aldehyde|Protocatechualdehyde dimethyl ether|Protocatechuecaldehyde dimethyl ether|Protocatechuic aldehyde dimethyl ether|UNII-UI88P68JZD|Vanillin methyl ether|Veratral|veratraldehido|VERATRIC ALDEHYDE|VERATRUM|Veratrum aldehyde|Veratrumaldehyd|Veratryl aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026285 https://doi.org/10.22427/NTP-DATA-DTXSID7026285
ERPathway2016 ERPathway2016_269 Veratraldehyde 120-14-9 DTXSID7026285 ER Pathway Model, Agonist Model Score 0.0572 Unitless COC1=CC=C(C=O)C=C1OC Veratraldehyde 120-14-9|Veratraldehyde|204-373-2|3,4-Dimethoxybenzaldehyde|3,4-Dimethoxybenzenecarbonal|4-O-Methylvanillin|Benzaldehyde, 3,4-dimethoxy-|BRN 0473899|EC No.: 204-373-2|EINECS 204-373-2|FEMA No. 3109|Methylvanillin|NSC 24521|NSC 8500|p-Veratric aldehyde|Protocatechualdehyde dimethyl ether|Protocatechuecaldehyde dimethyl ether|Protocatechuic aldehyde dimethyl ether|UNII-UI88P68JZD|Vanillin methyl ether|Veratral|veratraldehido|VERATRIC ALDEHYDE|VERATRUM|Veratrum aldehyde|Veratrumaldehyd|Veratryl aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026285 https://doi.org/10.22427/NTP-DATA-DTXSID7026285
ERPathway2016 ERPathway2016_269 Veratraldehyde 120-14-9 DTXSID7026285 ER Pathway Model, Antagonist Model Score 0 Unitless COC1=CC=C(C=O)C=C1OC Veratraldehyde 120-14-9|Veratraldehyde|204-373-2|3,4-Dimethoxybenzaldehyde|3,4-Dimethoxybenzenecarbonal|4-O-Methylvanillin|Benzaldehyde, 3,4-dimethoxy-|BRN 0473899|EC No.: 204-373-2|EINECS 204-373-2|FEMA No. 3109|Methylvanillin|NSC 24521|NSC 8500|p-Veratric aldehyde|Protocatechualdehyde dimethyl ether|Protocatechuecaldehyde dimethyl ether|Protocatechuic aldehyde dimethyl ether|UNII-UI88P68JZD|Vanillin methyl ether|Veratral|veratraldehido|VERATRIC ALDEHYDE|VERATRUM|Veratrum aldehyde|Veratrumaldehyd|Veratryl aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026285 https://doi.org/10.22427/NTP-DATA-DTXSID7026285
ERPathway2016 ERPathway2016_269 Veratraldehyde 120-14-9 DTXSID7026285 ER Pathway Model, Agonist Call Inactive Unitless COC1=CC=C(C=O)C=C1OC Veratraldehyde 120-14-9|Veratraldehyde|204-373-2|3,4-Dimethoxybenzaldehyde|3,4-Dimethoxybenzenecarbonal|4-O-Methylvanillin|Benzaldehyde, 3,4-dimethoxy-|BRN 0473899|EC No.: 204-373-2|EINECS 204-373-2|FEMA No. 3109|Methylvanillin|NSC 24521|NSC 8500|p-Veratric aldehyde|Protocatechualdehyde dimethyl ether|Protocatechuecaldehyde dimethyl ether|Protocatechuic aldehyde dimethyl ether|UNII-UI88P68JZD|Vanillin methyl ether|Veratral|veratraldehido|VERATRIC ALDEHYDE|VERATRUM|Veratrum aldehyde|Veratrumaldehyd|Veratryl aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026285 https://doi.org/10.22427/NTP-DATA-DTXSID7026285
ERPathway2016 ERPathway2016_269 Veratraldehyde 120-14-9 DTXSID7026285 ER Pathway Model, Antagonist Call Active Unitless COC1=CC=C(C=O)C=C1OC Veratraldehyde 120-14-9|Veratraldehyde|204-373-2|3,4-Dimethoxybenzaldehyde|3,4-Dimethoxybenzenecarbonal|4-O-Methylvanillin|Benzaldehyde, 3,4-dimethoxy-|BRN 0473899|EC No.: 204-373-2|EINECS 204-373-2|FEMA No. 3109|Methylvanillin|NSC 24521|NSC 8500|p-Veratric aldehyde|Protocatechualdehyde dimethyl ether|Protocatechuecaldehyde dimethyl ether|Protocatechuic aldehyde dimethyl ether|UNII-UI88P68JZD|Vanillin methyl ether|Veratral|veratraldehido|VERATRIC ALDEHYDE|VERATRUM|Veratrum aldehyde|Veratrumaldehyd|Veratryl aldehyde https://comptox.epa.gov/dashboard/chemical/details/DTXSID7026285 https://doi.org/10.22427/NTP-DATA-DTXSID7026285
ARPathway2016 ARPathway2016_964 Vernolate 1929-77-7 DTXSID7024376 0.0 AR Pathway Model, Antagonist Model Score 0 Unitless CCCSC(=O)N(CCC)CCC Vernolate 1929-77-7|Vernolate|BRN 1767659|Caswell No. 711|Dipropylcarbamothioic acid S-propyl ester|Dipropylthiocarbamic acid S-propyl ester|EINECS 217-681-7|EPA Pesticide Chemical Code 041404|n-Propyl-di-n-propylthiolcarbamate|n-Propyldi-n-propylthiocarbamate|Perbulate|Propyl dipropylthiolcarbamate|Propyl N,N-dipropylthiolcarbamate|Propyl-N,N-dipropylthiolcarbamate|S-Propyl dipropylcarbamothioate|S-Propyl-N,N-dipropylthiocarbamate|Surpass E|UNII-E78ZFF4KQ0|Vanalate|Vernam|Vernam E Vernam G Surpass E|Vernam G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024376
ARPathway2016 ARPathway2016_964 Vernolate 1929-77-7 DTXSID7024376 0.0 AR Pathway Model, Agonist Model Score 0 Unitless CCCSC(=O)N(CCC)CCC Vernolate 1929-77-7|Vernolate|BRN 1767659|Caswell No. 711|Dipropylcarbamothioic acid S-propyl ester|Dipropylthiocarbamic acid S-propyl ester|EINECS 217-681-7|EPA Pesticide Chemical Code 041404|n-Propyl-di-n-propylthiolcarbamate|n-Propyldi-n-propylthiocarbamate|Perbulate|Propyl dipropylthiolcarbamate|Propyl N,N-dipropylthiolcarbamate|Propyl-N,N-dipropylthiolcarbamate|S-Propyl dipropylcarbamothioate|S-Propyl-N,N-dipropylthiocarbamate|Surpass E|UNII-E78ZFF4KQ0|Vanalate|Vernam|Vernam E Vernam G Surpass E|Vernam G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024376
ARPathway2016 ARPathway2016_964 Vernolate 1929-77-7 DTXSID7024376 0.0 AR Pathway Model, Agonist Call Inactive Unitless CCCSC(=O)N(CCC)CCC Vernolate 1929-77-7|Vernolate|BRN 1767659|Caswell No. 711|Dipropylcarbamothioic acid S-propyl ester|Dipropylthiocarbamic acid S-propyl ester|EINECS 217-681-7|EPA Pesticide Chemical Code 041404|n-Propyl-di-n-propylthiolcarbamate|n-Propyldi-n-propylthiocarbamate|Perbulate|Propyl dipropylthiolcarbamate|Propyl N,N-dipropylthiolcarbamate|Propyl-N,N-dipropylthiolcarbamate|S-Propyl dipropylcarbamothioate|S-Propyl-N,N-dipropylthiocarbamate|Surpass E|UNII-E78ZFF4KQ0|Vanalate|Vernam|Vernam E Vernam G Surpass E|Vernam G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024376
ARPathway2016 ARPathway2016_964 Vernolate 1929-77-7 DTXSID7024376 0.0 AR Pathway Model, Antagonist Call Inactive Unitless CCCSC(=O)N(CCC)CCC Vernolate 1929-77-7|Vernolate|BRN 1767659|Caswell No. 711|Dipropylcarbamothioic acid S-propyl ester|Dipropylthiocarbamic acid S-propyl ester|EINECS 217-681-7|EPA Pesticide Chemical Code 041404|n-Propyl-di-n-propylthiolcarbamate|n-Propyldi-n-propylthiocarbamate|Perbulate|Propyl dipropylthiolcarbamate|Propyl N,N-dipropylthiolcarbamate|Propyl-N,N-dipropylthiolcarbamate|S-Propyl dipropylcarbamothioate|S-Propyl-N,N-dipropylthiocarbamate|Surpass E|UNII-E78ZFF4KQ0|Vanalate|Vernam|Vernam E Vernam G Surpass E|Vernam G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024376
ERPathway2016 ERPathway2016_722 Vernolate 1929-77-7 DTXSID7024376 A2 ER Pathway Model, Agonist Model Score 0 Unitless CCCSC(=O)N(CCC)CCC Vernolate 1929-77-7|Vernolate|BRN 1767659|Caswell No. 711|Dipropylcarbamothioic acid S-propyl ester|Dipropylthiocarbamic acid S-propyl ester|EINECS 217-681-7|EPA Pesticide Chemical Code 041404|n-Propyl-di-n-propylthiolcarbamate|n-Propyldi-n-propylthiocarbamate|Perbulate|Propyl dipropylthiolcarbamate|Propyl N,N-dipropylthiolcarbamate|Propyl-N,N-dipropylthiolcarbamate|S-Propyl dipropylcarbamothioate|S-Propyl-N,N-dipropylthiocarbamate|Surpass E|UNII-E78ZFF4KQ0|Vanalate|Vernam|Vernam E Vernam G Surpass E|Vernam G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024376
ERPathway2016 ERPathway2016_722 Vernolate 1929-77-7 DTXSID7024376 A2 ER Pathway Model, Antagonist Model Score 0 Unitless CCCSC(=O)N(CCC)CCC Vernolate 1929-77-7|Vernolate|BRN 1767659|Caswell No. 711|Dipropylcarbamothioic acid S-propyl ester|Dipropylthiocarbamic acid S-propyl ester|EINECS 217-681-7|EPA Pesticide Chemical Code 041404|n-Propyl-di-n-propylthiolcarbamate|n-Propyldi-n-propylthiocarbamate|Perbulate|Propyl dipropylthiolcarbamate|Propyl N,N-dipropylthiolcarbamate|Propyl-N,N-dipropylthiolcarbamate|S-Propyl dipropylcarbamothioate|S-Propyl-N,N-dipropylthiocarbamate|Surpass E|UNII-E78ZFF4KQ0|Vanalate|Vernam|Vernam E Vernam G Surpass E|Vernam G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024376
ERPathway2016 ERPathway2016_722 Vernolate 1929-77-7 DTXSID7024376 A2 ER Pathway Model, Agonist Call Inactive Unitless CCCSC(=O)N(CCC)CCC Vernolate 1929-77-7|Vernolate|BRN 1767659|Caswell No. 711|Dipropylcarbamothioic acid S-propyl ester|Dipropylthiocarbamic acid S-propyl ester|EINECS 217-681-7|EPA Pesticide Chemical Code 041404|n-Propyl-di-n-propylthiolcarbamate|n-Propyldi-n-propylthiocarbamate|Perbulate|Propyl dipropylthiolcarbamate|Propyl N,N-dipropylthiolcarbamate|Propyl-N,N-dipropylthiolcarbamate|S-Propyl dipropylcarbamothioate|S-Propyl-N,N-dipropylthiocarbamate|Surpass E|UNII-E78ZFF4KQ0|Vanalate|Vernam|Vernam E Vernam G Surpass E|Vernam G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024376
ERPathway2016 ERPathway2016_722 Vernolate 1929-77-7 DTXSID7024376 A2 ER Pathway Model, Antagonist Call Inactive Unitless CCCSC(=O)N(CCC)CCC Vernolate 1929-77-7|Vernolate|BRN 1767659|Caswell No. 711|Dipropylcarbamothioic acid S-propyl ester|Dipropylthiocarbamic acid S-propyl ester|EINECS 217-681-7|EPA Pesticide Chemical Code 041404|n-Propyl-di-n-propylthiolcarbamate|n-Propyldi-n-propylthiocarbamate|Perbulate|Propyl dipropylthiolcarbamate|Propyl N,N-dipropylthiolcarbamate|Propyl-N,N-dipropylthiolcarbamate|S-Propyl dipropylcarbamothioate|S-Propyl-N,N-dipropylthiocarbamate|Surpass E|UNII-E78ZFF4KQ0|Vanalate|Vernam|Vernam E Vernam G Surpass E|Vernam G https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024376
ARPathway2016 ARPathway2016_191 Vinclozolin 50471-44-8 DTXSID4022361 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist AC50 16.18802857 uM CC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C Vinclozolin 50471-44-8|Vinclozolin|(.+-.)-Vinclozolin|(+ or -)-3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione|2,4-Oxazolidinedione, 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-|3-(3,5-Dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione|3-(3,5-Dichlorophenyl)-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione|3-(3,5-Dichlorphenyl)-5-methyl-5-vinyl-1,3-oxazolidin-2,4-dion|BAS 352-04F|BRN 1080192|Caswell No. 323C|EINECS 256-599-6|EPA Pesticide Chemical Code 113201|N-3,5-Dichlorophenyl-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione|N-3,5-Dichlorophenyl-5-methyl-5-vinyloxazolidine-2,4-dione|N-3,5-Dichlorphenyl-5-methyl-5-vinyl-1,3-oxazolidin-2,4-dion|N-3,5-diclorofenil-5-metil-5-vinil-1,3-oxazolidina-2,4-diona|Ornalin|Ranilan|Ronilan|Ronilan 50WP|UNII-JJ258EZN1I|Vinchlozoline|Vinclozoline|107378-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022361 https://doi.org/10.22427/NTP-DATA-DTXSID4022361
ARPathway2016 ARPathway2016_191 Vinclozolin 50471-44-8 DTXSID4022361 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist ACC 15.5324361 uM CC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C Vinclozolin 50471-44-8|Vinclozolin|(.+-.)-Vinclozolin|(+ or -)-3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione|2,4-Oxazolidinedione, 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-|3-(3,5-Dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione|3-(3,5-Dichlorophenyl)-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione|3-(3,5-Dichlorphenyl)-5-methyl-5-vinyl-1,3-oxazolidin-2,4-dion|BAS 352-04F|BRN 1080192|Caswell No. 323C|EINECS 256-599-6|EPA Pesticide Chemical Code 113201|N-3,5-Dichlorophenyl-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione|N-3,5-Dichlorophenyl-5-methyl-5-vinyloxazolidine-2,4-dione|N-3,5-Dichlorphenyl-5-methyl-5-vinyl-1,3-oxazolidin-2,4-dion|N-3,5-diclorofenil-5-metil-5-vinil-1,3-oxazolidina-2,4-diona|Ornalin|Ranilan|Ronilan|Ronilan 50WP|UNII-JJ258EZN1I|Vinchlozoline|Vinclozoline|107378-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022361 https://doi.org/10.22427/NTP-DATA-DTXSID4022361
ARPathway2016 ARPathway2016_191 Vinclozolin 50471-44-8 DTXSID4022361 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Antagonist Model Score 0.416 Unitless CC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C Vinclozolin 50471-44-8|Vinclozolin|(.+-.)-Vinclozolin|(+ or -)-3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione|2,4-Oxazolidinedione, 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-|3-(3,5-Dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione|3-(3,5-Dichlorophenyl)-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione|3-(3,5-Dichlorphenyl)-5-methyl-5-vinyl-1,3-oxazolidin-2,4-dion|BAS 352-04F|BRN 1080192|Caswell No. 323C|EINECS 256-599-6|EPA Pesticide Chemical Code 113201|N-3,5-Dichlorophenyl-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione|N-3,5-Dichlorophenyl-5-methyl-5-vinyloxazolidine-2,4-dione|N-3,5-Dichlorphenyl-5-methyl-5-vinyl-1,3-oxazolidin-2,4-dion|N-3,5-diclorofenil-5-metil-5-vinil-1,3-oxazolidina-2,4-diona|Ornalin|Ranilan|Ronilan|Ronilan 50WP|UNII-JJ258EZN1I|Vinchlozoline|Vinclozoline|107378-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022361 https://doi.org/10.22427/NTP-DATA-DTXSID4022361
ARPathway2016 ARPathway2016_191 Vinclozolin 50471-44-8 DTXSID4022361 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist Model Score 0 Unitless CC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C Vinclozolin 50471-44-8|Vinclozolin|(.+-.)-Vinclozolin|(+ or -)-3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione|2,4-Oxazolidinedione, 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-|3-(3,5-Dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione|3-(3,5-Dichlorophenyl)-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione|3-(3,5-Dichlorphenyl)-5-methyl-5-vinyl-1,3-oxazolidin-2,4-dion|BAS 352-04F|BRN 1080192|Caswell No. 323C|EINECS 256-599-6|EPA Pesticide Chemical Code 113201|N-3,5-Dichlorophenyl-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione|N-3,5-Dichlorophenyl-5-methyl-5-vinyloxazolidine-2,4-dione|N-3,5-Dichlorphenyl-5-methyl-5-vinyl-1,3-oxazolidin-2,4-dion|N-3,5-diclorofenil-5-metil-5-vinil-1,3-oxazolidina-2,4-diona|Ornalin|Ranilan|Ronilan|Ronilan 50WP|UNII-JJ258EZN1I|Vinchlozoline|Vinclozoline|107378-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022361 https://doi.org/10.22427/NTP-DATA-DTXSID4022361
ARPathway2016 ARPathway2016_191 Vinclozolin 50471-44-8 DTXSID4022361 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Agonist Call Active Unitless CC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C Vinclozolin 50471-44-8|Vinclozolin|(.+-.)-Vinclozolin|(+ or -)-3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione|2,4-Oxazolidinedione, 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-|3-(3,5-Dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione|3-(3,5-Dichlorophenyl)-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione|3-(3,5-Dichlorphenyl)-5-methyl-5-vinyl-1,3-oxazolidin-2,4-dion|BAS 352-04F|BRN 1080192|Caswell No. 323C|EINECS 256-599-6|EPA Pesticide Chemical Code 113201|N-3,5-Dichlorophenyl-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione|N-3,5-Dichlorophenyl-5-methyl-5-vinyloxazolidine-2,4-dione|N-3,5-Dichlorphenyl-5-methyl-5-vinyl-1,3-oxazolidin-2,4-dion|N-3,5-diclorofenil-5-metil-5-vinil-1,3-oxazolidina-2,4-diona|Ornalin|Ranilan|Ronilan|Ronilan 50WP|UNII-JJ258EZN1I|Vinchlozoline|Vinclozoline|107378-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022361 https://doi.org/10.22427/NTP-DATA-DTXSID4022361
ARPathway2016 ARPathway2016_191 Vinclozolin 50471-44-8 DTXSID4022361 True antagonist shift (Hit/Hit) 6.0 Antagonist AR Pathway Model, Antagonist Call Inactive Unitless CC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C Vinclozolin 50471-44-8|Vinclozolin|(.+-.)-Vinclozolin|(+ or -)-3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione|2,4-Oxazolidinedione, 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-|3-(3,5-Dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione|3-(3,5-Dichlorophenyl)-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione|3-(3,5-Dichlorphenyl)-5-methyl-5-vinyl-1,3-oxazolidin-2,4-dion|BAS 352-04F|BRN 1080192|Caswell No. 323C|EINECS 256-599-6|EPA Pesticide Chemical Code 113201|N-3,5-Dichlorophenyl-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione|N-3,5-Dichlorophenyl-5-methyl-5-vinyloxazolidine-2,4-dione|N-3,5-Dichlorphenyl-5-methyl-5-vinyl-1,3-oxazolidin-2,4-dion|N-3,5-diclorofenil-5-metil-5-vinil-1,3-oxazolidina-2,4-diona|Ornalin|Ranilan|Ronilan|Ronilan 50WP|UNII-JJ258EZN1I|Vinchlozoline|Vinclozoline|107378-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022361 https://doi.org/10.22427/NTP-DATA-DTXSID4022361
ERPathway2016 ERPathway2016_643 Vinclozolin 50471-44-8 DTXSID4022361 A17 ER Pathway Model, Agonist Model Score 0 Unitless CC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C Vinclozolin 50471-44-8|Vinclozolin|(.+-.)-Vinclozolin|(+ or -)-3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione|2,4-Oxazolidinedione, 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-|3-(3,5-Dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione|3-(3,5-Dichlorophenyl)-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione|3-(3,5-Dichlorphenyl)-5-methyl-5-vinyl-1,3-oxazolidin-2,4-dion|BAS 352-04F|BRN 1080192|Caswell No. 323C|EINECS 256-599-6|EPA Pesticide Chemical Code 113201|N-3,5-Dichlorophenyl-5-methyl-5-vinyl-1,3-oxazolidine-2,4-dione|N-3,5-Dichlorophenyl-5-methyl-5-vinyloxazolidine-2,4-dione|N-3,5-Dichlorphenyl-5-methyl-5-vinyl-1,3-oxazolidin-2,4-dion|N-3,5-diclorofenil-5-metil-5-vinil-1,3-oxazolidina-2,4-diona|Ornalin|Ranilan|Ronilan|Ronilan 50WP|UNII-JJ258EZN1I|Vinchlozoline|Vinclozoline|107378-49-4 https://comptox.epa.gov/dashboard/chemical/details/DTXSID4022361 https://doi.org/10.22427/NTP-DATA-DTXSID4022361